#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pls n GLU 2 N 0.00 -3.35 -2.57 0.03 1.02 -1.26 -4.82 120.64 109.69 1pls n GLU 2 Ca 0.00 2.70 -0.35 0.00 -0.02 0.00 0.00 57.16 59.50 1pls n GLU 2 Cb 0.00 -3.93 -0.04 0.00 -0.02 0.00 0.00 31.44 27.45 1pls n GLU 2 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1pls s PRO 3 N -4.13 3.94 -0.47 3.49 0.04 -1.26 -5.02 135.00 131.58 1pls s PRO 3 Ca 0.00 1.38 -0.02 0.00 0.04 0.00 0.00 61.00 62.40 1pls s PRO 3 Cb 0.00 -2.22 0.12 0.00 0.04 0.00 0.00 34.50 32.44 1pls s PRO 3 CO 0.00 -0.32 0.27 0.15 0.04 0.00 0.00 177.00 177.14 1pls s LYS 4 N -3.03 2.14 0.27 4.56 1.02 -1.26 -4.97 119.74 118.47 1pls s LYS 4 Ca 0.64 -2.05 0.00 0.00 0.02 0.00 0.00 55.97 54.58 1pls s LYS 4 Cb -0.17 -3.60 0.00 0.00 -0.52 0.00 0.00 37.83 33.54 1pls s LYS 4 CO 0.21 -1.10 0.00 0.54 -0.92 0.00 0.00 175.35 174.08 1pls n ARG 5 N 4.21 -2.75 0.15 1.68 1.74 -1.26 -4.88 116.66 115.55 1pls n ARG 5 Ca 0.01 2.03 -0.07 0.00 -0.77 0.00 0.00 57.85 59.04 1pls n ARG 5 Cb 0.40 -2.26 -0.04 0.00 -1.02 0.00 0.00 32.46 29.54 1pls n ARG 5 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1pls h ILE 6 N 1.22 0.03 -3.89 0.55 1.08 -1.43 -3.45 117.51 111.63 1pls h ILE 6 Ca 0.00 -0.67 -0.67 0.00 -0.39 0.00 0.00 64.86 63.13 1pls h ILE 6 Cb 0.00 0.05 -0.32 0.00 -3.07 0.00 0.00 36.82 33.49 1pls h ILE 6 CO 0.00 0.01 -0.88 -0.13 -0.69 0.00 0.00 178.15 176.46 1pls s ARG 7 N -3.11 2.54 -0.09 2.37 1.81 -1.01 -5.00 118.95 116.45 1pls s ARG 7 Ca -0.07 -0.87 -0.04 0.00 -1.72 0.00 0.00 55.73 53.03 1pls s ARG 7 Cb 0.01 -2.11 0.04 0.00 -0.45 0.00 0.00 34.95 32.44 1pls s ARG 7 CO 0.22 0.33 0.21 -1.83 -0.68 0.00 0.00 175.30 173.55 1pls s GLU 8 N -0.05 0.16 0.00 3.54 1.03 -1.26 -0.07 118.70 122.04 1pls s GLU 8 Ca -0.06 0.48 0.00 0.00 0.03 0.00 0.00 54.97 55.42 1pls s GLU 8 Cb -0.14 -0.15 0.00 0.00 -0.80 0.00 0.00 34.13 33.04 1pls s GLU 8 CO 0.04 -0.17 0.00 0.41 -1.33 0.00 0.00 175.26 174.21 1pls n GLY 9 N 4.30 3.43 2.64 -3.83 0.00 -0.70 -4.99 105.19 106.03 1pls n GLY 9 Ca -0.24 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.69 1.03 0.17 1.61 1.13 -1.26 -2.29 117.35 117.06 1pls s TYR 10 Ca 0.00 -1.33 0.09 0.00 -1.41 0.00 0.00 57.07 54.42 1pls s TYR 10 Cb 0.00 -1.32 -0.04 0.00 -1.10 0.00 0.00 41.96 39.50 1pls s TYR 10 CO 0.00 -0.85 -0.12 -0.51 -2.51 0.00 0.00 175.55 171.56 1pls s LEU 11 N 1.84 2.89 -0.01 -3.49 2.01 -0.32 -4.81 118.68 116.79 1pls s LEU 11 Ca 0.10 -0.60 -0.14 0.00 0.01 0.00 0.00 54.13 53.50 1pls s LEU 11 Cb -0.17 -1.60 -0.05 0.00 0.01 0.00 0.00 46.19 44.38 1pls s LEU 11 CO -0.31 0.12 0.38 0.54 1.01 0.00 0.00 176.35 178.09 1pls s VAL 12 N -1.63 5.09 0.37 -1.59 0.11 -1.00 -0.99 120.40 120.76 1pls s VAL 12 Ca 0.24 0.75 0.06 0.00 -2.93 0.00 0.00 61.98 60.09 1pls s VAL 12 Cb -0.09 -3.67 -0.07 0.00 -1.53 0.00 0.00 36.38 31.01 1pls s VAL 12 CO 0.14 0.57 0.02 -0.54 -3.33 0.00 0.00 175.10 171.96 1pls s LYS 13 N -1.13 1.83 -0.38 1.54 1.02 -1.03 -0.43 119.74 121.15 1pls s LYS 13 Ca 0.23 -2.03 -0.25 0.00 0.02 0.00 0.00 55.97 53.95 1pls s LYS 13 Cb -0.16 -1.35 0.02 0.00 -0.52 0.00 0.00 37.83 35.82 1pls s LYS 13 CO 0.13 -0.09 0.90 0.21 -0.92 0.00 0.00 175.35 175.57 1pls s LYS 14 N -3.77 3.77 0.59 1.68 2.36 -0.99 -2.09 119.74 121.28 1pls s LYS 14 Ca 0.35 0.45 -0.16 0.00 -2.55 0.00 0.00 55.97 54.06 1pls s LYS 14 Cb 0.09 -3.83 -0.04 0.00 -1.05 0.00 0.00 37.83 33.01 1pls s LYS 14 CO 0.17 -0.98 1.07 0.20 1.55 0.00 0.00 175.35 177.36 1pls s GLY 15 N 1.94 2.20 0.05 5.54 0.00 -0.79 -4.86 107.32 111.41 1pls s GLY 15 Ca 0.37 0.47 -0.20 0.00 0.00 0.00 0.00 44.72 45.35 1pls s GLY 15 CO 0.20 0.79 1.42 0.23 0.00 0.00 0.00 173.10 175.74 1pls h SER 16 N 0.53 0.36 -0.76 1.64 0.87 -1.95 -3.37 113.55 110.87 1pls h SER 16 Ca -0.47 -0.40 -0.44 0.00 -1.23 0.00 0.00 61.79 59.24 1pls h SER 16 Cb 1.23 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 63.05 1pls h SER 16 CO 0.57 0.68 1.61 0.55 -0.53 0.00 0.00 176.83 179.71 1pls n VAL 17 N -4.62 -0.04 -1.41 2.23 3.14 -1.26 -4.46 118.33 111.91 1pls n VAL 17 Ca -0.05 -0.43 0.16 0.00 -2.96 0.00 0.00 64.34 61.06 1pls n VAL 17 Cb 0.30 -1.63 -0.09 0.00 -1.06 0.00 0.00 33.84 31.36 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 13.27 -3.80 -2.40 1.45 3.01 -1.26 -4.29 117.46 123.43 1pls n PHE 18 Ca 0.52 2.10 -0.37 0.00 1.01 0.00 0.00 57.45 60.71 1pls n PHE 18 Cb 0.30 -3.45 -0.03 0.00 -0.01 0.00 0.00 39.48 36.29 1pls n PHE 18 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 1pls s ASN 19 N -7.11 6.14 0.34 4.37 -0.87 -1.26 -4.68 114.94 111.86 1pls s ASN 19 Ca 0.00 -1.60 0.03 0.00 -1.57 0.00 0.00 52.86 49.72 1pls s ASN 19 Cb 0.00 -2.57 -0.05 0.00 -0.02 0.00 0.00 41.25 38.60 1pls s ASN 19 CO 0.00 -1.86 0.07 0.42 -2.57 0.00 0.00 177.10 173.16 1pls s THR 20 N 6.54 1.04 -0.29 1.60 -4.23 -1.26 -5.03 115.64 114.01 1pls s THR 20 Ca 0.56 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 59.05 1pls s THR 20 Cb -0.00 -2.69 0.09 0.00 1.34 0.00 0.00 72.50 71.24 1pls s THR 20 CO -0.00 0.00 0.09 0.26 -0.54 0.00 0.00 174.62 174.43 1pls s TRP 21 N -3.31 1.48 -0.13 3.99 0.52 -1.26 -1.88 118.94 118.35 1pls s TRP 21 Ca 0.34 -1.53 -0.03 0.00 0.02 0.00 0.00 56.10 54.90 1pls s TRP 21 Cb 0.07 -1.53 -0.03 0.00 -1.15 0.00 0.00 33.47 30.83 1pls s TRP 21 CO 0.15 -0.83 -0.01 0.15 0.02 0.00 0.00 176.95 176.43 1pls s LYS 22 N 1.70 3.42 0.55 4.98 1.02 -0.89 -4.85 119.74 125.66 1pls s LYS 22 Ca 0.08 -0.45 -0.20 0.00 0.02 0.00 0.00 55.97 55.41 1pls s LYS 22 Cb -0.17 -2.90 -0.07 0.00 -0.52 0.00 0.00 37.83 34.18 1pls s LYS 22 CO -0.24 0.44 0.97 -2.30 -0.92 0.00 0.00 175.35 173.30 1pls n PRO 23 N 2.95 1.06 -3.70 -1.68 -0.02 -1.26 -2.48 135.00 129.87 1pls n PRO 23 Ca -0.18 0.40 -0.10 0.00 -2.02 0.00 0.00 63.50 61.60 1pls n PRO 23 Cb 0.53 -2.13 -0.04 0.00 -0.02 0.00 0.00 33.50 31.84 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 -2.51 1.21 0.12 -0.52 0.23 -0.16 -4.82 119.30 112.85 1pls s MET 24 Ca 0.71 -0.81 -0.07 0.00 -1.03 0.00 0.00 55.69 54.49 1pls s MET 24 Cb -0.46 0.49 -0.06 0.00 -1.53 0.00 0.00 34.83 33.27 1pls s MET 24 CO 0.51 -0.49 0.39 -0.46 -2.03 0.00 0.00 175.02 172.93 1pls s TRP 25 N -3.85 3.51 -0.16 3.16 -0.11 0.53 -1.18 118.94 120.86 1pls s TRP 25 Ca 0.07 0.66 -0.14 0.00 1.22 0.00 0.00 56.10 57.92 1pls s TRP 25 Cb 0.01 -2.08 0.04 0.00 -1.50 0.00 0.00 33.47 29.94 1pls s TRP 25 CO -0.07 0.46 0.41 0.54 -4.62 0.00 0.00 176.95 173.67 1pls s VAL 26 N -1.56 -0.00 -0.38 5.86 0.11 -0.97 -0.48 120.40 122.98 1pls s VAL 26 Ca 0.38 0.01 0.01 0.00 -2.93 0.00 0.00 61.98 59.45 1pls s VAL 26 Cb -0.13 -0.58 0.12 0.00 -1.53 0.00 0.00 36.38 34.26 1pls s VAL 26 CO 0.21 0.01 0.17 0.68 -3.33 0.00 0.00 175.10 172.84 1pls s VAL 27 N 0.38 1.31 -0.07 2.04 -7.23 -0.93 -1.73 120.40 114.16 1pls s VAL 27 Ca -0.01 -2.12 -0.30 0.00 -1.81 0.00 0.00 61.98 57.74 1pls s VAL 27 Cb -0.04 -1.95 -0.05 0.00 0.56 0.00 0.00 36.38 34.91 1pls s VAL 27 CO -0.01 -0.79 1.58 -1.48 -0.31 0.00 0.00 175.10 174.09 1pls s LEU 28 N 0.86 4.30 0.33 1.32 0.05 0.90 -2.39 118.68 124.05 1pls s LEU 28 Ca 0.14 2.14 0.07 0.00 0.05 0.00 0.00 54.13 56.53 1pls s LEU 28 Cb -0.21 -3.54 -0.02 0.00 -2.05 0.00 0.00 46.19 40.37 1pls s LEU 28 CO -0.10 -0.89 0.39 -0.76 -0.55 0.00 0.00 176.35 174.44 1pls s LEU 29 N 3.90 3.84 0.25 1.48 1.02 -0.09 -1.11 118.68 127.97 1pls s LEU 29 Ca 0.70 -0.30 0.24 0.00 0.02 0.00 0.00 54.13 54.79 1pls s LEU 29 Cb -0.31 -2.53 0.96 0.00 0.02 0.00 0.00 46.19 44.32 1pls s LEU 29 CO 0.27 -0.38 1.73 1.21 0.02 0.00 0.00 176.35 179.20 1pls n GLU 30 N -1.51 0.21 -0.09 1.70 2.13 -1.26 -2.32 120.64 119.49 1pls n GLU 30 Ca -0.01 0.39 0.06 0.00 0.66 0.00 0.00 57.16 58.26 1pls n GLU 30 Cb 0.59 -1.87 0.11 0.00 0.27 0.00 0.00 31.44 30.54 1pls n GLU 30 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1pls n ASP 31 N -2.25 2.53 0.00 4.31 5.75 -1.26 -4.82 116.55 120.81 1pls n ASP 31 Ca 0.03 -1.75 0.00 0.00 -0.01 0.00 0.00 54.79 53.06 1pls n ASP 31 Cb 0.26 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 1pls n ASP 31 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pls n GLY 32 N 0.70 4.15 3.63 6.12 0.00 -0.98 -4.35 105.19 114.46 1pls n GLY 32 Ca 0.10 -0.91 -0.40 0.00 0.00 0.00 0.00 46.02 44.82 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 5.09 -0.30 -0.61 1.09 -0.73 -0.91 121.20 122.83 1pls s ILE 33 Ca 0.00 0.87 0.00 0.00 -1.10 0.00 0.00 60.65 60.42 1pls s ILE 33 Cb 0.00 -3.82 0.06 0.00 -1.06 0.00 0.00 42.46 37.65 1pls s ILE 33 CO 0.00 0.12 -0.01 -1.61 -0.10 0.00 0.00 174.94 173.34 1pls s GLU 34 N 2.11 2.23 0.06 2.79 2.02 -1.01 -0.91 118.70 125.99 1pls s GLU 34 Ca 0.21 -1.41 0.08 0.00 0.02 0.00 0.00 54.97 53.87 1pls s GLU 34 Cb -0.16 -3.13 -0.03 0.00 0.10 0.00 0.00 34.13 30.91 1pls s GLU 34 CO 0.09 -0.68 -0.21 -0.59 0.02 0.00 0.00 175.26 173.89 1pls s PHE 35 N 1.16 2.46 0.00 1.61 -0.12 -1.01 -2.20 117.98 119.88 1pls s PHE 35 Ca -0.03 -0.32 0.00 0.00 -0.05 0.00 0.00 56.93 56.53 1pls s PHE 35 Cb -0.20 -1.41 0.00 0.00 -0.63 0.00 0.00 43.02 40.78 1pls s PHE 35 CO -0.03 0.23 0.00 0.66 -0.05 0.00 0.00 175.22 176.03 1pls n TYR 36 N 1.51 0.00 -0.05 3.49 4.02 0.37 -1.25 117.16 125.25 1pls n TYR 36 Ca -0.16 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.51 1pls n TYR 36 Cb 0.52 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 1.63 -1.01 0.00 0.00 176.86 177.48 1pls n LYS 37 N 0.00 0.67 -1.29 -0.72 5.02 -1.26 -0.34 118.16 120.24 1pls n LYS 37 Ca 0.00 0.35 -0.02 0.00 -2.02 0.00 0.00 58.31 56.62 1pls n LYS 37 Cb 0.00 -1.68 0.00 0.00 -0.02 0.00 0.00 35.03 33.33 1pls n LYS 37 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1pls n LYS 38 N -3.82 1.06 0.00 1.97 4.01 -1.26 -2.34 118.16 117.78 1pls n LYS 38 Ca -0.35 -0.30 0.03 0.00 -0.51 0.00 0.00 58.31 57.18 1pls n LYS 38 Cb 0.91 -0.01 0.14 0.00 -0.51 0.00 0.00 35.03 35.56 1pls n LYS 38 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1pls n LYS 39 N -1.01 0.00 0.04 1.97 5.02 -1.26 -4.25 118.16 118.67 1pls n LYS 39 Ca 0.01 0.40 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 1pls n LYS 39 Cb 0.06 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 1pls n LYS 39 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1pls n SER 40 N -1.51 -0.54 -0.22 4.39 7.64 -1.26 -4.98 113.62 117.14 1pls n SER 40 Ca 0.01 0.16 -0.03 0.00 1.01 0.00 0.00 58.87 60.03 1pls n SER 40 Cb 0.07 0.74 -0.01 0.00 -1.01 0.00 0.00 64.21 64.00 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 -2.71 -5.92 -1.35 6.43 -0.08 -1.26 -2.84 116.55 108.82 1pls n ASP 41 Ca 0.00 0.07 -0.02 0.00 -1.51 0.00 0.00 54.79 53.33 1pls n ASP 41 Cb 0.00 -3.68 -0.01 0.00 2.34 0.00 0.00 41.12 39.77 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 -1.04 -0.72 -3.12 1.67 3.02 -1.26 -4.70 115.26 109.11 1pls n ASN 42 Ca -0.03 0.13 0.05 0.00 -0.03 0.00 0.00 54.58 54.71 1pls n ASN 42 Cb 0.52 -1.01 0.00 0.00 -0.61 0.00 0.00 39.78 38.69 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 -1.34 -0.26 0.23 6.41 0.15 -1.13 -5.13 113.70 112.62 1pls s SER 43 Ca 0.00 0.02 -0.31 0.00 0.70 0.00 0.00 55.95 56.35 1pls s SER 43 Cb 0.00 1.10 -0.14 0.00 -1.71 0.00 0.00 66.02 65.27 1pls s SER 43 CO 0.00 -0.05 1.32 -2.65 1.20 0.00 0.00 173.24 173.06 1pls n PRO 44 N 4.95 1.76 0.10 5.44 -0.02 -1.26 -4.76 135.00 141.21 1pls n PRO 44 Ca 0.10 0.63 0.12 0.00 -2.02 0.00 0.00 63.50 62.32 1pls n PRO 44 Cb 0.59 -2.22 0.04 0.00 -0.02 0.00 0.00 33.50 31.88 1pls n PRO 44 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1pls h LYS 45 N 3.81 0.00 -1.47 -0.52 3.64 -1.50 -3.46 116.57 117.07 1pls h LYS 45 Ca -0.44 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.06 1pls h LYS 45 Cb 1.30 0.00 -0.25 0.00 -0.41 0.00 0.00 32.23 32.87 1pls h LYS 45 CO 0.73 0.00 0.25 0.20 -2.27 0.00 0.00 179.45 178.36 1pls s GLY 46 N -4.19 -0.19 -0.14 5.01 0.00 -1.11 -5.05 107.32 101.65 1pls s GLY 46 Ca 0.01 2.96 0.02 0.00 0.00 0.00 0.00 44.72 47.71 1pls s GLY 46 CO 0.77 2.81 -0.19 1.06 0.00 0.00 0.00 173.10 177.55 1pls s MET 47 N 1.84 2.70 -0.05 2.90 -1.94 -1.26 -2.40 119.30 121.09 1pls s MET 47 Ca -0.07 -0.73 -0.20 0.00 -1.71 0.00 0.00 55.69 52.98 1pls s MET 47 Cb -0.05 -2.27 -0.05 0.00 2.01 0.00 0.00 34.83 34.47 1pls s MET 47 CO -0.17 -0.10 0.56 0.42 -0.01 0.00 0.00 175.02 175.73 1pls s ILE 48 N 1.05 5.03 0.08 2.53 1.01 -0.09 -4.93 121.20 125.88 1pls s ILE 48 Ca -0.03 1.15 -0.31 0.00 0.00 0.00 0.00 60.65 61.46 1pls s ILE 48 Cb -0.14 -3.89 -0.06 0.00 0.01 0.00 0.00 42.46 38.37 1pls s ILE 48 CO -0.05 0.37 1.28 -2.16 0.00 0.00 0.00 174.94 174.38 1pls s PRO 49 N 0.19 4.38 -0.17 2.79 0.04 -1.26 -1.77 135.00 139.20 1pls s PRO 49 Ca 0.30 1.89 -0.02 0.00 0.04 0.00 0.00 61.00 63.21 1pls s PRO 49 Cb -0.17 -3.32 0.04 0.00 0.04 0.00 0.00 34.50 31.08 1pls s PRO 49 CO 0.15 -0.34 2.39 -0.11 0.04 0.00 0.00 177.00 179.12 1pls n LEU 50 N 4.02 5.86 0.00 -3.56 7.94 -1.26 -4.39 117.00 125.61 1pls n LEU 50 Ca 0.10 -3.07 0.00 0.00 -1.11 0.00 0.00 56.01 51.93 1pls n LEU 50 Cb 0.45 -1.17 0.00 0.00 0.53 0.00 0.00 43.42 43.23 1pls n LEU 50 CO 0.57 1.30 0.00 0.29 -1.11 0.00 0.00 177.39 178.44 1pls n LYS 51 N 1.19 0.00 -3.06 1.96 4.76 -1.26 -4.66 118.16 117.09 1pls n LYS 51 Ca 0.24 0.09 -0.16 0.00 -2.87 0.00 0.00 58.31 55.61 1pls n LYS 51 Cb 0.60 -0.54 -0.00 0.00 -1.84 0.00 0.00 35.03 33.26 1pls n LYS 51 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1pls n GLY 52 N 1.73 2.66 3.94 0.72 0.00 -1.26 -4.55 105.19 108.43 1pls n GLY 52 Ca 0.00 -1.20 -0.26 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.97 4.62 0.41 1.61 0.01 -1.26 -2.65 113.70 114.45 1pls s SER 53 Ca 0.35 0.37 0.05 0.00 1.31 0.00 0.00 55.95 58.03 1pls s SER 53 Cb 0.31 -0.94 -0.06 0.00 0.21 0.00 0.00 66.02 65.54 1pls s SER 53 CO -0.09 -1.73 0.03 0.28 0.41 0.00 0.00 173.24 172.15 1pls s THR 54 N -3.30 1.55 -0.02 1.44 -1.32 -0.70 -4.83 115.64 108.47 1pls s THR 54 Ca 0.62 -2.00 0.02 0.00 -1.21 0.00 0.00 61.69 59.12 1pls s THR 54 Cb -0.10 -2.75 0.00 0.00 -1.51 0.00 0.00 72.50 68.14 1pls s THR 54 CO 0.45 0.00 -0.07 -0.22 -2.21 0.00 0.00 174.62 172.58 1pls s LEU 55 N -3.68 1.79 -0.07 9.08 1.98 -1.26 -1.95 118.68 124.57 1pls s LEU 55 Ca 0.29 -0.14 0.03 0.00 -2.89 0.00 0.00 54.13 51.42 1pls s LEU 55 Cb 0.08 -0.43 0.01 0.00 0.66 0.00 0.00 46.19 46.50 1pls s LEU 55 CO 0.14 0.05 -0.16 -0.89 -1.89 0.00 0.00 176.35 173.60 1pls s THR 56 N 0.19 1.40 -0.18 3.68 2.01 -0.32 -4.90 115.64 117.51 1pls s THR 56 Ca -0.02 -0.65 -0.06 0.00 0.31 0.00 0.00 61.69 61.27 1pls s THR 56 Cb -0.07 -1.23 0.08 0.00 0.01 0.00 0.00 72.50 71.29 1pls s THR 56 CO 0.00 0.41 0.37 -0.94 -0.69 0.00 0.00 174.62 173.77 1pls s SER 57 N 0.42 -0.04 0.15 3.53 1.04 -1.26 -1.24 113.70 116.30 1pls s SER 57 Ca -0.12 0.85 0.00 0.00 0.48 0.00 0.00 55.95 57.16 1pls s SER 57 Cb -0.15 1.13 0.00 0.00 0.10 0.00 0.00 66.02 67.10 1pls s SER 57 CO 0.04 -0.24 0.00 -0.81 0.98 0.00 0.00 173.24 173.22 1pls n PRO 58 N 5.38 0.73 -3.73 4.02 -0.04 -1.26 -5.11 135.00 134.99 1pls n PRO 58 Ca -0.08 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.26 1pls n PRO 58 Cb 0.49 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.83 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 4.22 -2.87 -0.00 0.00 1.13 -1.26 -4.35 117.38 114.25 1pls n GLN 60 Ca -0.25 2.28 0.08 0.00 -1.94 0.00 0.00 57.00 57.17 1pls n GLN 60 Cb 0.53 -3.45 -0.11 0.00 0.11 0.00 0.00 30.24 27.32 1pls n GLN 60 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1pls n ASP 61 N -4.25 0.84 -0.53 1.08 8.00 -1.26 -4.04 116.55 116.39 1pls n ASP 61 Ca -0.07 -0.73 0.10 0.00 0.71 0.00 0.00 54.79 54.81 1pls n ASP 61 Cb 0.63 1.17 0.37 0.00 -0.02 0.00 0.00 41.12 43.27 1pls n ASP 61 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 1pls n PHE 62 N -1.56 0.21 0.00 1.24 -1.74 -1.26 -3.80 117.46 110.55 1pls n PHE 62 Ca 0.02 -0.10 0.00 0.00 -0.56 0.00 0.00 57.45 56.81 1pls n PHE 62 Cb 0.31 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.31 1pls n PHE 62 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1pls n GLY 63 N 1.11 0.05 3.53 4.97 0.00 -1.26 -4.95 105.19 108.63 1pls n GLY 63 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.42 0.33 0.00 1.61 4.81 -1.25 -4.30 118.16 117.94 1pls n LYS 64 Ca 0.00 -0.32 0.00 0.00 -0.87 0.00 0.00 58.31 57.12 1pls n LYS 64 Cb 0.00 -2.34 0.00 0.00 0.02 0.00 0.00 35.03 32.71 1pls n LYS 64 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1pls n ARG 65 N 7.50 0.00 -0.13 1.64 0.63 -1.26 -4.99 116.66 120.05 1pls n ARG 65 Ca 0.56 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 57.32 1pls n ARG 65 Cb 0.28 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 33.07 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 -1.44 0.65 0.00 -0.14 2.81 -1.26 -5.01 117.12 112.73 1pls n MET 66 Ca 0.00 0.15 0.00 0.00 -1.81 0.00 0.00 57.70 56.04 1pls n MET 66 Cb 0.00 -1.52 0.00 0.00 -0.71 0.00 0.00 33.22 30.99 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 -3.26 0.00 -4.97 2.03 3.72 -1.26 -4.53 117.46 109.19 1pls n PHE 67 Ca -0.46 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 56.62 1pls n PHE 67 Cb 0.99 0.00 -0.17 0.00 -0.94 0.00 0.00 39.48 39.37 1pls n PHE 67 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1pls s VAL 68 N 0.00 2.13 0.33 -4.37 0.11 -1.26 -2.30 120.40 115.04 1pls s VAL 68 Ca 0.00 -0.98 0.08 0.00 -2.93 0.00 0.00 61.98 58.15 1pls s VAL 68 Cb 0.00 -1.83 -0.04 0.00 -1.53 0.00 0.00 36.38 32.98 1pls s VAL 68 CO 0.00 0.55 0.20 0.72 -3.33 0.00 0.00 175.10 173.25 1pls s PHE 69 N 0.53 2.81 -0.24 1.54 -0.12 -0.72 -1.89 117.98 119.89 1pls s PHE 69 Ca -0.14 -0.32 0.00 0.00 -0.05 0.00 0.00 56.93 56.42 1pls s PHE 69 Cb -0.17 -1.67 0.07 0.00 -0.63 0.00 0.00 43.02 40.62 1pls s PHE 69 CO 0.05 0.30 -0.02 0.21 -0.05 0.00 0.00 175.22 175.70 1pls s LYS 70 N -3.90 1.41 0.45 1.99 2.36 -0.37 -2.35 119.74 119.32 1pls s LYS 70 Ca 0.38 -0.99 -0.04 0.00 -2.55 0.00 0.00 55.97 52.78 1pls s LYS 70 Cb -0.04 -2.51 -0.03 0.00 -1.05 0.00 0.00 37.83 34.19 1pls s LYS 70 CO 0.24 -0.66 0.72 0.42 1.55 0.00 0.00 175.35 177.62 1pls s ILE 71 N 1.44 4.90 -0.47 5.43 1.01 -0.71 -1.18 121.20 131.61 1pls s ILE 71 Ca -0.03 -0.01 0.03 0.00 0.00 0.00 0.00 60.65 60.65 1pls s ILE 71 Cb -0.18 -3.84 0.15 0.00 0.01 0.00 0.00 42.46 38.60 1pls s ILE 71 CO -0.08 -0.75 0.31 -0.89 0.00 0.00 0.00 174.94 173.53 1pls s THR 72 N -2.63 1.28 0.90 2.92 2.01 -0.82 -1.05 115.64 118.25 1pls s THR 72 Ca 0.46 -2.83 -0.16 0.00 0.31 0.00 0.00 61.69 59.47 1pls s THR 72 Cb -0.10 -1.88 -0.09 0.00 0.01 0.00 0.00 72.50 70.44 1pls s THR 72 CO 0.42 -1.02 -0.30 0.35 -0.69 0.00 0.00 174.62 173.39 1pls n THR 73 N 3.11 0.19 0.18 -0.82 -2.24 -0.65 -1.71 114.28 112.34 1pls n THR 73 Ca 0.17 -0.42 0.11 0.00 -2.27 0.00 0.00 64.05 61.65 1pls n THR 73 Cb 0.38 -0.23 0.61 0.00 -2.10 0.00 0.00 70.33 69.00 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 -0.95 0.00 -0.34 4.28 1.03 -1.78 0.65 112.91 115.79 1pls h THR 74 Ca -0.44 0.00 -0.05 0.00 -0.01 0.00 0.00 66.41 65.91 1pls h THR 74 Cb 1.32 0.50 -0.03 0.00 -1.07 0.00 0.00 68.15 68.87 1pls h THR 74 CO 0.30 0.00 0.06 1.17 -0.01 0.00 0.00 175.52 177.04 1pls n LYS 75 N -2.31 2.81 -3.05 0.00 4.81 -1.26 -4.85 118.16 114.30 1pls n LYS 75 Ca -0.01 -1.64 -0.22 0.00 -0.87 0.00 0.00 58.31 55.57 1pls n LYS 75 Cb 0.08 -1.85 0.04 0.00 0.02 0.00 0.00 35.03 33.32 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 0.20 -5.07 -3.54 1.64 7.27 0.22 -4.95 117.38 113.14 1pls n GLN 76 Ca 0.18 0.86 -0.41 0.00 0.07 0.00 0.00 57.00 57.70 1pls n GLN 76 Cb 0.82 -5.66 -0.10 0.00 2.41 0.00 0.00 30.24 27.70 1pls n GLN 76 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 1pls s GLN 77 N -5.72 2.85 0.40 3.69 0.74 -1.22 -4.89 119.66 115.51 1pls s GLN 77 Ca 0.32 -1.13 -0.24 0.00 0.05 0.00 0.00 55.36 54.37 1pls s GLN 77 Cb -0.14 -3.84 -0.09 0.00 1.10 0.00 0.00 33.01 30.04 1pls s GLN 77 CO 0.40 -0.77 1.03 -0.51 -0.55 0.00 0.00 175.29 174.89 1pls s ASP 78 N 1.72 6.78 -0.09 6.67 1.11 -1.26 -1.63 116.67 129.98 1pls s ASP 78 Ca 0.03 1.98 -0.03 0.00 0.18 0.00 0.00 52.55 54.70 1pls s ASP 78 Cb -0.20 -2.58 0.04 0.00 1.07 0.00 0.00 42.92 41.26 1pls s ASP 78 CO 0.07 -0.47 0.08 -1.00 1.18 0.00 0.00 175.17 175.03 1pls s HIS 79 N -1.74 0.07 -0.20 4.23 3.76 -0.21 -4.92 115.29 116.28 1pls s HIS 79 Ca 0.58 0.11 -0.12 0.00 -0.15 0.00 0.00 55.06 55.49 1pls s HIS 79 Cb -0.20 -0.52 -0.05 0.00 1.11 0.00 0.00 32.58 32.92 1pls s HIS 79 CO 0.25 -0.31 0.20 -0.06 -0.85 0.00 0.00 174.74 173.97 1pls s PHE 80 N 2.18 3.40 0.07 1.40 0.40 -1.26 -1.74 117.98 122.42 1pls s PHE 80 Ca 0.04 0.40 -0.04 0.00 -0.60 0.00 0.00 56.93 56.73 1pls s PHE 80 Cb -0.13 -2.26 -0.02 0.00 0.51 0.00 0.00 43.02 41.11 1pls s PHE 80 CO -0.05 0.20 0.07 0.12 0.70 0.00 0.00 175.22 176.25 1pls s PHE 81 N 0.63 0.39 -0.04 0.36 2.19 -0.99 -2.35 117.98 118.15 1pls s PHE 81 Ca 0.11 -0.88 -0.02 0.00 0.33 0.00 0.00 56.93 56.47 1pls s PHE 81 Cb -0.12 -0.25 0.03 0.00 -1.31 0.00 0.00 43.02 41.36 1pls s PHE 81 CO 0.02 -0.46 0.09 -1.14 1.83 0.00 0.00 175.22 175.56 1pls s GLN 82 N -3.90 0.05 0.00 10.12 0.74 0.42 -1.75 119.66 125.34 1pls s GLN 82 Ca 0.07 0.25 0.00 0.00 0.05 0.00 0.00 55.36 55.73 1pls s GLN 82 Cb 0.07 -0.14 0.00 0.00 1.10 0.00 0.00 33.01 34.03 1pls s GLN 82 CO -0.10 -0.13 0.00 0.00 -0.55 0.00 0.00 175.29 174.52 1pls n ALA 83 N 3.91 0.00 0.00 1.58 0.00 -0.97 -2.37 120.51 122.65 1pls n ALA 83 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1pls n ALA 83 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 -1.97 0.00 -2.45 0.00 0.00 -1.26 -4.83 120.51 109.99 1pls n ALA 84 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 1pls n ALA 84 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 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 0.00 2.60 0.50 0.00 -0.71 -1.26 -4.36 117.98 114.76 1pls s PHE 85 Ca 0.00 -0.58 0.41 0.00 -1.04 0.00 0.00 56.93 55.72 1pls s PHE 85 Cb 0.00 -1.93 2.15 0.00 -1.21 0.00 0.00 43.02 42.03 1pls s PHE 85 CO 0.00 0.21 2.26 1.37 -1.34 0.00 0.00 175.22 177.72 1pls h LEU 86 N 1.46 0.00 0.17 -1.99 -0.00 -1.98 0.16 115.31 113.14 1pls h LEU 86 Ca -0.43 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.44 1pls h LEU 86 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.91 1pls h LEU 86 CO 0.70 0.00 -0.08 -0.08 -0.00 0.00 0.00 178.44 178.98 1pls h GLU 87 N 0.00 -0.22 0.00 0.17 4.81 -1.98 -1.77 114.58 115.59 1pls h GLU 87 Ca 0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1pls h GLU 87 Cb 0.11 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1pls h GLU 87 CO 0.00 -0.15 0.00 0.93 -0.73 0.00 0.00 179.01 179.06 1pls h GLU 88 N -0.45 0.00 0.29 1.92 3.07 -1.95 -1.58 114.58 115.89 1pls h GLU 88 Ca -0.02 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.82 1pls h GLU 88 Cb 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 1pls h GLU 88 CO 0.04 0.00 -0.14 -0.09 -1.40 0.00 0.00 179.01 177.42 1pls h ARG 89 N 0.00 -0.38 0.00 2.33 1.12 -0.96 -1.45 114.38 115.04 1pls h ARG 89 Ca 0.00 0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.90 1pls h ARG 89 Cb 0.27 0.09 0.00 0.00 -0.01 0.00 0.00 29.97 30.32 1pls h ARG 89 CO 0.00 -0.23 0.00 -3.47 -3.11 0.00 0.00 179.97 173.16 1pls n ASP 90 N -5.04 0.65 0.07 -3.80 2.03 -0.67 -1.20 116.55 108.60 1pls n ASP 90 Ca -0.05 0.69 -0.14 0.00 0.52 0.00 0.00 54.79 55.81 1pls n ASP 90 Cb 0.17 -0.82 -0.14 0.00 -0.72 0.00 0.00 41.12 39.62 1pls n ASP 90 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1pls h ALA 91 N 2.21 0.25 0.00 -1.67 0.00 -1.27 -1.88 119.26 116.90 1pls h ALA 91 Ca 0.00 -1.00 -0.14 0.00 0.00 0.00 0.00 54.91 53.77 1pls h ALA 91 Cb 0.29 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1pls h ALA 91 CO 0.00 1.13 -0.80 -1.49 0.00 0.00 0.00 179.25 178.09 1pls h TRP 92 N 0.05 0.00 0.24 0.00 4.06 -0.48 -2.44 115.95 117.38 1pls h TRP 92 Ca -0.15 0.00 -0.33 0.00 2.06 0.00 0.00 58.89 60.47 1pls h TRP 92 Cb 1.94 0.00 0.03 0.00 -1.00 0.00 0.00 29.16 30.14 1pls h TRP 92 CO 0.04 0.59 -1.45 -0.39 -3.56 0.00 0.00 178.44 173.67 1pls h VAL 93 N 0.00 1.31 0.00 1.49 -1.51 -1.21 -2.34 116.25 113.99 1pls h VAL 93 Ca -0.05 -2.75 -0.07 0.00 -1.23 0.00 0.00 66.70 62.60 1pls h VAL 93 Cb 1.49 3.03 -0.01 0.00 -2.13 0.00 0.00 31.29 33.67 1pls h VAL 93 CO 0.07 0.82 -0.35 0.08 -1.23 0.00 0.00 177.57 176.96 1pls h ARG 94 N 0.14 0.00 0.02 5.19 0.11 -1.43 -0.51 114.38 117.90 1pls h ARG 94 Ca -0.24 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 59.78 1pls h ARG 94 Cb 2.15 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 33.22 1pls h ARG 94 CO 0.27 0.35 -0.30 0.22 0.10 0.00 0.00 179.97 180.61 1pls h ASP 95 N 0.00 0.05 0.54 0.08 1.82 -1.49 -0.15 116.42 117.27 1pls h ASP 95 Ca -0.00 -0.92 -0.15 0.00 -0.39 0.00 0.00 57.03 55.57 1pls h ASP 95 Cb 1.16 -0.02 -0.02 0.00 0.68 0.00 0.00 39.33 41.14 1pls h ASP 95 CO 0.05 1.12 -0.66 0.40 -1.61 0.00 0.00 179.24 178.54 1pls h ILE 96 N -0.92 1.44 0.15 2.25 2.04 -1.51 -1.56 117.51 119.39 1pls h ILE 96 Ca -0.07 -2.18 -0.29 0.00 1.00 0.00 0.00 64.86 63.32 1pls h ILE 96 Cb 1.12 2.16 0.01 0.00 -0.74 0.00 0.00 36.82 39.37 1pls h ILE 96 CO -0.02 0.63 -1.36 -1.13 0.00 0.00 0.00 178.15 176.27 1pls h ASN 97 N 0.07 0.49 -0.09 1.72 -0.00 -1.20 -2.64 115.58 113.92 1pls h ASN 97 Ca -0.01 -0.56 -0.18 0.00 -0.00 0.00 0.00 56.30 55.56 1pls h ASN 97 Cb 1.17 -0.16 -0.00 0.00 -0.00 0.00 0.00 38.32 39.33 1pls h ASN 97 CO 0.09 1.44 -0.58 0.50 -0.00 0.00 0.00 177.43 178.88 1pls h LYS 98 N 0.09 0.69 -0.32 6.67 3.64 -0.99 -0.54 116.57 125.79 1pls h LYS 98 Ca -0.18 -0.45 -0.09 0.00 -1.27 0.00 0.00 60.65 58.65 1pls h LYS 98 Cb 2.02 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.89 1pls h LYS 98 CO 0.20 1.07 -0.14 0.00 -2.27 0.00 0.00 179.45 178.31 1pls h ALA 99 N 0.83 0.45 -0.02 5.00 0.00 -1.37 0.12 119.26 124.27 1pls h ALA 99 Ca 0.00 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 1pls h ALA 99 Cb 1.16 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1pls h ALA 99 CO 0.12 0.35 -0.41 0.82 0.00 0.00 0.00 179.25 180.13 1pls h ILE 100 N 0.44 1.30 0.00 0.00 2.04 -1.43 -1.68 117.51 118.18 1pls h ILE 100 Ca 0.07 -1.43 0.00 0.00 1.00 0.00 0.00 64.86 64.50 1pls h ILE 100 Cb 0.67 1.74 0.00 0.00 -0.74 0.00 0.00 36.82 38.49 1pls h ILE 100 CO 0.04 0.41 -0.27 0.29 0.00 0.00 0.00 178.15 178.62 1pls n LYS 101 N -4.04 0.05 0.04 2.37 4.76 -0.22 -3.44 118.16 117.69 1pls n LYS 101 Ca -0.02 0.03 0.08 0.00 -2.87 0.00 0.00 58.31 55.53 1pls n LYS 101 Cb 0.45 -1.54 -0.08 0.00 -1.84 0.00 0.00 35.03 32.01 1pls n LYS 101 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pls h ILE 103 N 0.00 1.30 0.00 0.00 1.08 -1.36 -2.30 117.51 116.23 1pls h ILE 103 Ca -0.06 -2.34 0.00 0.00 -0.39 0.00 0.00 64.86 62.07 1pls h ILE 103 Cb 1.16 2.32 0.00 0.00 -3.07 0.00 0.00 36.82 37.23 1pls h ILE 103 CO 0.01 0.63 0.00 -0.62 -0.69 0.00 0.00 178.15 177.48 1pls n GLU 104 N -3.53 0.25 -0.05 2.37 1.02 -1.24 -2.38 120.64 117.08 1pls n GLU 104 Ca -0.00 0.12 0.01 0.00 -0.02 0.00 0.00 57.16 57.27 1pls n GLU 104 Cb 0.69 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.63 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 0.16 0.41 2.71 0.62 0.00 -1.06 -4.84 105.19 103.18 1pls n GLY 105 Ca 0.08 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.32 7.23 -0.08 0.99 4.77 -0.89 -4.51 117.00 124.19 1pls n LEU 106 Ca 0.01 -5.30 0.09 0.00 -0.03 0.00 0.00 56.01 50.79 1pls n LEU 106 Cb 0.43 -1.11 0.13 0.00 -2.33 0.00 0.00 43.42 40.53 1pls n LEU 106 CO 0.00 2.01 0.56 -0.62 -1.33 0.00 0.00 177.39 178.01 1pls n GLU 107 N -0.17 1.31 -2.85 3.23 1.02 -1.26 -4.89 120.64 117.04 1pls n GLU 107 Ca 0.47 -2.47 0.00 0.00 -0.02 0.00 0.00 57.16 55.15 1pls n GLU 107 Cb 0.27 -1.44 0.01 0.00 -0.02 0.00 0.00 31.44 30.25 1pls n GLU 107 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1pls s HIS 108 N -2.69 -0.79 0.00 -0.32 2.46 -1.26 -5.14 115.29 107.55 1pls s HIS 108 Ca 0.29 0.02 0.00 0.00 0.47 0.00 0.00 55.06 55.84 1pls s HIS 108 Cb 0.26 0.15 0.00 0.00 -0.13 0.00 0.00 32.58 32.85 1pls s HIS 108 CO 0.03 -0.56 0.00 1.58 -2.47 0.00 0.00 174.74 173.32 1pls n HIS 109 N 3.61 0.00 -2.77 3.88 -0.00 -1.26 -5.07 115.22 113.61 1pls n HIS 109 Ca 0.09 0.00 -0.43 0.00 0.46 0.00 0.00 57.72 57.84 1pls n HIS 109 Cb 0.61 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 30.47 1pls n HIS 109 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1pls s HIS 110 N 0.00 3.01 0.00 1.57 2.46 -1.26 -4.92 115.29 116.15 1pls s HIS 110 Ca 0.00 -1.53 0.00 0.00 0.47 0.00 0.00 55.06 54.00 1pls s HIS 110 Cb 0.00 -4.50 0.00 0.00 -0.13 0.00 0.00 32.58 27.95 1pls s HIS 110 CO 0.00 -1.64 0.00 0.72 -2.47 0.00 0.00 174.74 171.35 1pls n HIS 111 N 7.26 -1.95 -0.06 3.88 -0.00 -1.26 -4.46 115.22 118.63 1pls n HIS 111 Ca 0.35 0.01 -0.03 0.00 -0.00 0.00 0.00 57.72 58.05 1pls n HIS 111 Cb 0.47 0.27 -0.02 0.00 -0.00 0.00 0.00 29.99 30.71 1pls n HIS 111 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1pls h HIS 112 N -0.00 0.00 -0.01 4.41 3.86 -2.05 -3.54 115.15 117.82 1pls h HIS 112 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1pls h HIS 112 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1pls h HIS 112 CO 0.00 0.16 0.00 1.58 0.86 0.00 0.00 177.93 180.53