#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 0.00 0.00 2.12 -0.58 -1.26 -5.13 120.64 115.79 1pls n GLU 2 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1pls n GLU 2 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1pls n GLU 2 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1pls n PRO 3 N 0.00 0.99 -3.08 3.49 -0.04 -1.26 -4.92 135.00 130.19 1pls n PRO 3 Ca 0.00 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 63.01 1pls n PRO 3 Cb 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.43 1pls n PRO 3 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1pls s LYS 4 N -0.01 3.49 0.00 0.54 1.02 -1.26 -4.80 119.74 118.71 1pls s LYS 4 Ca 0.00 -1.87 0.00 0.00 0.02 0.00 0.00 55.97 54.12 1pls s LYS 4 Cb 0.00 -4.63 0.00 0.00 -0.52 0.00 0.00 37.83 32.68 1pls s LYS 4 CO 0.00 -1.59 0.00 0.54 -0.92 0.00 0.00 175.35 173.38 1pls n ARG 5 N 5.76 0.00 0.18 1.68 1.74 -1.26 -4.90 116.66 119.86 1pls n ARG 5 Ca 0.14 0.14 -0.14 0.00 -0.77 0.00 0.00 57.85 57.22 1pls n ARG 5 Cb 0.47 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.83 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 0.00 0.70 -3.70 0.55 2.04 -1.76 -3.44 117.51 111.89 1pls h ILE 6 Ca 0.00 -0.35 -0.67 0.00 1.00 0.00 0.00 64.86 64.84 1pls h ILE 6 Cb 0.00 0.88 -0.18 0.00 -0.74 0.00 0.00 36.82 36.78 1pls h ILE 6 CO 0.00 0.07 -0.76 -0.60 0.00 0.00 0.00 178.15 176.87 1pls s ARG 7 N -5.32 2.18 -0.29 2.37 6.06 -1.00 -4.96 118.95 117.99 1pls s ARG 7 Ca -0.15 -0.96 -0.14 0.00 -2.50 0.00 0.00 55.73 51.98 1pls s ARG 7 Cb 0.03 -2.30 0.12 0.00 0.06 0.00 0.00 34.95 32.86 1pls s ARG 7 CO 0.59 0.54 0.80 -1.83 -2.50 0.00 0.00 175.30 172.90 1pls s GLU 8 N -1.80 0.53 0.00 5.12 1.03 -1.26 -0.76 118.70 121.56 1pls s GLU 8 Ca 0.18 1.06 0.00 0.00 0.03 0.00 0.00 54.97 56.24 1pls s GLU 8 Cb -0.11 0.35 0.00 0.00 -0.80 0.00 0.00 34.13 33.57 1pls s GLU 8 CO 0.10 -0.14 0.00 0.41 -1.33 0.00 0.00 175.26 174.30 1pls n GLY 9 N 4.54 3.54 2.60 -3.83 0.00 -0.52 -4.98 105.19 106.54 1pls n GLY 9 Ca -0.16 -0.31 -0.29 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 -0.51 1.30 0.30 1.61 1.13 -1.26 -1.62 117.35 118.31 1pls s TYR 10 Ca 0.00 -1.87 0.07 0.00 -1.41 0.00 0.00 57.07 53.86 1pls s TYR 10 Cb 0.00 -1.40 -0.03 0.00 -1.10 0.00 0.00 41.96 39.43 1pls s TYR 10 CO 0.00 -0.82 0.22 -0.51 -2.51 0.00 0.00 175.55 171.93 1pls s LEU 11 N 0.97 3.63 -0.19 -3.49 1.02 0.88 -4.55 118.68 116.95 1pls s LEU 11 Ca 0.16 -0.43 -0.11 0.00 0.02 0.00 0.00 54.13 53.76 1pls s LEU 11 Cb -0.22 -2.19 -0.05 0.00 0.02 0.00 0.00 46.19 43.75 1pls s LEU 11 CO -0.06 -0.20 0.18 0.54 0.02 0.00 0.00 176.35 176.82 1pls s VAL 12 N -2.25 5.38 -0.10 -1.59 0.11 -0.98 0.62 120.40 121.59 1pls s VAL 12 Ca 0.37 0.29 0.01 0.00 -2.93 0.00 0.00 61.98 59.72 1pls s VAL 12 Cb -0.06 -3.51 -0.02 0.00 -1.53 0.00 0.00 36.38 31.25 1pls s VAL 12 CO 0.25 0.43 -0.11 -0.75 -3.33 0.00 0.00 175.10 171.60 1pls s LYS 13 N 0.34 3.04 -0.65 1.54 2.20 -0.96 -0.93 119.74 124.32 1pls s LYS 13 Ca 0.11 -0.63 -0.26 0.00 -0.36 0.00 0.00 55.97 54.83 1pls s LYS 13 Cb -0.12 -2.59 -0.07 0.00 -1.51 0.00 0.00 37.83 33.54 1pls s LYS 13 CO -0.00 0.44 2.18 0.21 -0.36 0.00 0.00 175.35 177.82 1pls s LYS 14 N -0.22 2.22 1.02 4.03 2.20 -0.99 -3.72 119.74 124.27 1pls s LYS 14 Ca 0.02 0.73 -0.22 0.00 -0.36 0.00 0.00 55.97 56.14 1pls s LYS 14 Cb -0.13 -4.64 -0.10 0.00 -1.51 0.00 0.00 37.83 31.44 1pls s LYS 14 CO 0.03 -3.37 -0.88 0.41 -0.36 0.00 0.00 175.35 171.18 1pls n GLY 15 N 6.21 -3.23 0.12 5.54 0.00 -1.26 -4.71 105.19 107.86 1pls n GLY 15 Ca 0.35 -0.48 0.14 0.00 0.00 0.00 0.00 46.02 46.03 1pls n GLY 15 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1pls n SER 16 N 2.00 0.48 -4.56 1.61 2.88 -1.26 -4.64 113.62 110.13 1pls n SER 16 Ca -0.01 -0.61 -0.41 0.00 -1.33 0.00 0.00 58.87 56.51 1pls n SER 16 Cb 0.66 -0.07 -0.08 0.00 -0.75 0.00 0.00 64.21 63.97 1pls n SER 16 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1pls s VAL 17 N -2.44 5.00 0.26 2.46 0.11 -1.26 -4.94 120.40 119.59 1pls s VAL 17 Ca 0.30 0.34 0.00 0.00 -2.93 0.00 0.00 61.98 59.69 1pls s VAL 17 Cb 0.20 -3.99 0.00 0.00 -1.53 0.00 0.00 36.38 31.06 1pls s VAL 17 CO 0.47 -0.25 0.00 0.49 -3.33 0.00 0.00 175.10 172.48 1pls n PHE 18 N 5.79 -2.33 -2.84 1.54 3.01 -1.26 -4.09 117.46 117.28 1pls n PHE 18 Ca -0.04 1.19 -0.43 0.00 1.01 0.00 0.00 57.45 59.18 1pls n PHE 18 Cb 0.49 -2.11 -0.02 0.00 -0.01 0.00 0.00 39.48 37.83 1pls n PHE 18 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1pls s ASN 19 N -5.29 6.75 0.37 4.37 2.20 -1.26 -4.79 114.94 117.30 1pls s ASN 19 Ca 0.00 -2.25 0.00 0.00 -0.94 0.00 0.00 52.86 49.67 1pls s ASN 19 Cb 0.00 -2.44 -0.00 0.00 -2.00 0.00 0.00 41.25 36.81 1pls s ASN 19 CO 0.00 -1.05 0.01 0.35 -2.94 0.00 0.00 177.10 173.46 1pls n THR 20 N 5.55 0.00 -3.27 0.54 -2.24 -1.26 -5.08 114.28 108.52 1pls n THR 20 Ca 0.31 -1.78 -0.05 0.00 -2.27 0.00 0.00 64.05 60.26 1pls n THR 20 Cb 0.47 0.37 -0.05 0.00 -2.10 0.00 0.00 70.33 69.03 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 -2.38 -1.17 -0.06 4.78 0.52 -1.26 -4.07 118.94 115.29 1pls s TRP 21 Ca 0.01 0.93 0.04 0.00 0.02 0.00 0.00 56.10 57.10 1pls s TRP 21 Cb 0.00 0.13 0.00 0.00 -1.15 0.00 0.00 33.47 32.45 1pls s TRP 21 CO 0.01 -0.87 -0.18 0.15 0.02 0.00 0.00 176.95 176.08 1pls s LYS 22 N 2.65 2.01 1.07 4.98 1.02 -1.24 -4.95 119.74 125.27 1pls s LYS 22 Ca 0.13 -0.62 -0.16 0.00 0.02 0.00 0.00 55.97 55.34 1pls s LYS 22 Cb -0.14 -1.67 0.11 0.00 -0.52 0.00 0.00 37.83 35.61 1pls s LYS 22 CO -0.22 0.19 0.31 -2.30 -0.92 0.00 0.00 175.35 172.41 1pls n PRO 23 N 3.34 -1.26 -3.63 -1.68 -0.02 -1.26 -2.25 135.00 128.24 1pls n PRO 23 Ca -0.19 -0.34 0.01 0.00 -2.02 0.00 0.00 63.50 60.96 1pls n PRO 23 Cb 0.53 -1.84 -0.01 0.00 -0.02 0.00 0.00 33.50 32.16 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 -3.68 0.45 0.13 -0.52 0.23 0.20 -4.72 119.30 111.39 1pls s MET 24 Ca 0.58 -0.25 -0.13 0.00 -1.03 0.00 0.00 55.69 54.87 1pls s MET 24 Cb -0.17 0.15 -0.07 0.00 -1.53 0.00 0.00 34.83 33.22 1pls s MET 24 CO 0.66 -0.21 0.51 -0.46 -2.03 0.00 0.00 175.02 173.49 1pls s TRP 25 N -2.49 3.59 -0.15 3.16 -0.11 0.56 -0.09 118.94 123.42 1pls s TRP 25 Ca 0.14 0.97 -0.09 0.00 1.22 0.00 0.00 56.10 58.34 1pls s TRP 25 Cb 0.04 -2.30 0.05 0.00 -1.50 0.00 0.00 33.47 29.76 1pls s TRP 25 CO -0.03 0.44 0.37 0.54 -4.62 0.00 0.00 176.95 173.65 1pls s VAL 26 N -1.47 -0.02 -0.29 5.86 0.11 -0.64 0.09 120.40 124.03 1pls s VAL 26 Ca 0.37 0.08 0.01 0.00 -2.93 0.00 0.00 61.98 59.51 1pls s VAL 26 Cb -0.14 -0.55 0.09 0.00 -1.53 0.00 0.00 36.38 34.25 1pls s VAL 26 CO 0.19 0.03 0.05 0.68 -3.33 0.00 0.00 175.10 172.72 1pls s VAL 27 N 1.08 1.34 -0.09 2.04 -7.23 -0.98 -1.44 120.40 115.13 1pls s VAL 27 Ca -0.07 -1.53 -0.30 0.00 -1.81 0.00 0.00 61.98 58.27 1pls s VAL 27 Cb -0.07 -1.90 -0.02 0.00 0.56 0.00 0.00 36.38 34.95 1pls s VAL 27 CO -0.09 -0.50 1.03 -1.48 -0.31 0.00 0.00 175.10 173.76 1pls s LEU 28 N 1.41 4.26 0.32 1.32 0.05 0.06 -2.32 118.68 123.77 1pls s LEU 28 Ca 0.06 1.58 0.09 0.00 0.05 0.00 0.00 54.13 55.91 1pls s LEU 28 Cb -0.18 -3.56 -0.04 0.00 -2.05 0.00 0.00 46.19 40.36 1pls s LEU 28 CO -0.16 -0.45 0.08 -0.76 -0.55 0.00 0.00 176.35 174.52 1pls s LEU 29 N 1.95 3.20 0.00 1.48 1.02 -0.24 -2.26 118.68 123.83 1pls s LEU 29 Ca 0.50 -0.77 0.21 0.00 0.02 0.00 0.00 54.13 54.08 1pls s LEU 29 Cb -0.19 -1.67 1.03 0.00 0.02 0.00 0.00 46.19 45.38 1pls s LEU 29 CO 0.19 -0.21 1.66 -1.84 0.02 0.00 0.00 176.35 176.18 1pls n GLU 30 N -1.05 0.26 0.00 1.70 0.28 -1.26 -2.36 120.64 118.21 1pls n GLU 30 Ca -0.04 0.10 0.03 0.00 -0.16 0.00 0.00 57.16 57.09 1pls n GLU 30 Cb 0.61 -1.50 0.03 0.00 1.43 0.00 0.00 31.44 32.01 1pls n GLU 30 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1pls n ASP 31 N -1.31 1.56 0.00 -1.84 -0.08 -1.26 -4.71 116.55 108.91 1pls n ASP 31 Ca 0.09 -1.28 0.00 0.00 -1.51 0.00 0.00 54.79 52.09 1pls n ASP 31 Cb 0.18 0.01 0.00 0.00 2.34 0.00 0.00 41.12 43.65 1pls n ASP 31 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1pls n GLY 32 N 0.39 3.86 3.44 0.27 0.00 -1.00 -4.21 105.19 107.95 1pls n GLY 32 Ca 0.04 -0.62 -0.44 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.80 5.19 -0.30 -0.61 -1.09 -0.77 -1.08 121.20 120.74 1pls s ILE 33 Ca 0.00 -0.71 -0.05 0.00 -2.23 0.00 0.00 60.65 57.66 1pls s ILE 33 Cb 0.00 -4.04 0.03 0.00 -1.58 0.00 0.00 42.46 36.87 1pls s ILE 33 CO 0.00 -0.45 0.05 -1.83 -1.23 0.00 0.00 174.94 171.47 1pls s GLU 34 N 1.83 2.78 -0.00 2.79 -1.05 -0.98 -0.79 118.70 123.27 1pls s GLU 34 Ca 0.07 -1.05 0.05 0.00 -0.15 0.00 0.00 54.97 53.89 1pls s GLU 34 Cb -0.20 -3.29 -0.03 0.00 -0.44 0.00 0.00 34.13 30.16 1pls s GLU 34 CO 0.10 -0.53 -0.16 -0.59 0.95 0.00 0.00 175.26 175.02 1pls s PHE 35 N 1.39 2.63 0.00 4.83 -0.12 -0.96 -2.32 117.98 123.44 1pls s PHE 35 Ca -0.01 -0.21 0.00 0.00 -0.05 0.00 0.00 56.93 56.66 1pls s PHE 35 Cb -0.18 -1.55 0.00 0.00 -0.63 0.00 0.00 43.02 40.66 1pls s PHE 35 CO 0.01 0.22 0.00 0.66 -0.05 0.00 0.00 175.22 176.05 1pls n TYR 36 N 1.92 0.00 -0.12 3.49 4.01 0.11 -2.38 117.16 124.20 1pls n TYR 36 Ca -0.16 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.37 1pls n TYR 36 Cb 0.52 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.48 1pls n TYR 36 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1pls n LYS 37 N 0.00 0.56 -0.91 -0.72 5.02 -1.26 -0.32 118.16 120.53 1pls n LYS 37 Ca 0.00 0.24 -0.03 0.00 -2.02 0.00 0.00 58.31 56.50 1pls n LYS 37 Cb 0.00 -1.46 0.02 0.00 -0.02 0.00 0.00 35.03 33.56 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 -4.35 0.57 0.00 1.97 5.02 -1.26 -1.25 118.16 118.86 1pls n LYS 38 Ca -0.36 -0.36 0.03 0.00 -2.02 0.00 0.00 58.31 55.60 1pls n LYS 38 Cb 0.72 -0.08 0.12 0.00 -0.02 0.00 0.00 35.03 35.76 1pls n LYS 38 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1pls n LYS 39 N -1.24 0.00 0.04 1.97 5.02 -1.26 -4.27 118.16 118.43 1pls n LYS 39 Ca 0.02 0.40 0.00 0.00 -2.02 0.00 0.00 58.31 56.71 1pls n LYS 39 Cb 0.08 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.59 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 -1.49 -0.58 -0.15 4.39 7.64 -1.26 -4.99 113.62 117.17 1pls n SER 40 Ca 0.01 0.16 -0.02 0.00 1.01 0.00 0.00 58.87 60.03 1pls n SER 40 Cb 0.06 0.80 -0.01 0.00 -1.01 0.00 0.00 64.21 64.06 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 -2.70 -5.20 -1.52 6.43 2.03 -1.26 -2.94 116.55 111.40 1pls n ASP 41 Ca 0.00 0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.36 1pls n ASP 41 Cb 0.00 -3.24 0.00 0.00 -0.72 0.00 0.00 41.12 37.16 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 -0.55 -0.38 -2.97 1.67 3.02 -1.26 -4.67 115.26 110.12 1pls n ASN 42 Ca -0.02 0.19 0.04 0.00 -0.03 0.00 0.00 54.58 54.76 1pls n ASN 42 Cb 0.45 -0.66 0.00 0.00 -0.61 0.00 0.00 39.78 38.97 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 -1.31 -0.26 0.73 6.41 0.15 -1.15 -5.15 113.70 113.11 1pls s SER 43 Ca 0.00 -0.04 -0.16 0.00 0.70 0.00 0.00 55.95 56.45 1pls s SER 43 Cb 0.00 0.80 -0.01 0.00 -1.71 0.00 0.00 66.02 65.10 1pls s SER 43 CO 0.00 -0.04 0.75 -2.65 1.20 0.00 0.00 173.24 172.50 1pls n PRO 44 N 4.44 0.36 -0.02 5.44 -0.02 -1.26 -4.75 135.00 139.19 1pls n PRO 44 Ca 0.08 0.17 0.07 0.00 -2.02 0.00 0.00 63.50 61.80 1pls n PRO 44 Cb 0.61 -2.03 -0.16 0.00 -0.02 0.00 0.00 33.50 31.90 1pls n PRO 44 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1pls n LYS 45 N -1.38 0.67 -3.64 -0.52 4.81 -1.00 -4.97 118.16 112.13 1pls n LYS 45 Ca 0.11 -0.15 -0.05 0.00 -0.87 0.00 0.00 58.31 57.35 1pls n LYS 45 Cb 0.50 -1.48 -0.07 0.00 0.02 0.00 0.00 35.03 34.00 1pls n LYS 45 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1pls s GLY 46 N -4.49 0.18 -0.02 3.14 0.00 -1.18 -5.07 107.32 99.89 1pls s GLY 46 Ca -0.08 3.20 0.00 0.00 0.00 0.00 0.00 44.72 47.85 1pls s GLY 46 CO 0.83 1.82 0.02 1.06 0.00 0.00 0.00 173.10 176.83 1pls s MET 47 N -0.03 -0.01 -0.10 2.90 -1.94 -1.26 -2.26 119.30 116.59 1pls s MET 47 Ca 0.06 0.14 -0.21 0.00 -1.71 0.00 0.00 55.69 53.97 1pls s MET 47 Cb -0.05 -0.21 -0.04 0.00 2.01 0.00 0.00 34.83 36.54 1pls s MET 47 CO -0.12 -0.13 0.60 0.42 -0.01 0.00 0.00 175.02 175.78 1pls s ILE 48 N 0.85 5.10 0.15 2.53 1.01 0.03 -4.93 121.20 125.94 1pls s ILE 48 Ca -0.07 1.21 -0.31 0.00 0.00 0.00 0.00 60.65 61.48 1pls s ILE 48 Cb -0.10 -3.94 -0.08 0.00 0.01 0.00 0.00 42.46 38.35 1pls s ILE 48 CO -0.02 0.26 1.37 -2.16 0.00 0.00 0.00 174.94 174.39 1pls s PRO 49 N 0.87 4.33 -0.21 2.79 0.04 -1.26 -1.84 135.00 139.72 1pls s PRO 49 Ca 0.32 2.09 0.02 0.00 0.04 0.00 0.00 61.00 63.47 1pls s PRO 49 Cb -0.16 -3.22 0.30 0.00 0.04 0.00 0.00 34.50 31.46 1pls s PRO 49 CO 0.14 -0.38 1.46 -0.11 0.04 0.00 0.00 177.00 178.15 1pls n LEU 50 N 3.42 4.84 0.01 -3.56 7.94 -1.26 -4.07 117.00 124.31 1pls n LEU 50 Ca 0.09 -2.53 -0.17 0.00 -1.11 0.00 0.00 56.01 52.30 1pls n LEU 50 Cb 0.42 -0.68 -0.14 0.00 0.53 0.00 0.00 43.42 43.55 1pls n LEU 50 CO 0.59 0.78 -0.65 0.50 -1.11 0.00 0.00 177.39 177.50 1pls h LYS 51 N 0.53 0.18 -0.12 1.96 3.64 -1.90 -3.44 116.57 117.41 1pls h LYS 51 Ca 0.29 -0.31 0.08 0.00 -1.27 0.00 0.00 60.65 59.45 1pls h LYS 51 Cb 1.80 0.11 -0.16 0.00 -0.41 0.00 0.00 32.23 33.58 1pls h LYS 51 CO 0.53 0.97 -0.09 0.20 -2.27 0.00 0.00 179.45 178.79 1pls s GLY 52 N -5.33 -1.80 0.43 5.01 0.00 -1.26 -4.81 107.32 99.56 1pls s GLY 52 Ca -0.15 1.01 0.03 0.00 0.00 0.00 0.00 44.72 45.61 1pls s GLY 52 CO 0.80 4.37 0.25 1.44 0.00 0.00 0.00 173.10 179.97 1pls n SER 53 N 3.04 2.56 -3.74 1.64 7.64 -1.26 0.97 113.62 124.47 1pls n SER 53 Ca 0.08 -2.56 -0.25 0.00 1.01 0.00 0.00 58.87 57.15 1pls n SER 53 Cb 0.65 0.04 -0.17 0.00 -1.01 0.00 0.00 64.21 63.72 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 -2.23 0.41 -0.05 0.44 -4.23 -0.44 -4.84 115.64 104.69 1pls s THR 54 Ca 0.19 -0.22 -0.21 0.00 -1.18 0.00 0.00 61.69 60.27 1pls s THR 54 Cb -0.02 -0.77 -0.04 0.00 1.34 0.00 0.00 72.50 73.01 1pls s THR 54 CO 0.12 -0.00 0.61 -0.22 -0.54 0.00 0.00 174.62 174.59 1pls s LEU 55 N 1.93 4.35 -0.14 4.79 1.98 -1.26 0.51 118.68 130.83 1pls s LEU 55 Ca 0.02 1.10 0.01 0.00 -2.89 0.00 0.00 54.13 52.36 1pls s LEU 55 Cb -0.15 -2.94 0.02 0.00 0.66 0.00 0.00 46.19 43.78 1pls s LEU 55 CO -0.07 -0.01 -0.15 -0.89 -1.89 0.00 0.00 176.35 173.34 1pls s THR 56 N 0.38 1.62 -0.12 3.68 2.01 0.41 -4.96 115.64 118.66 1pls s THR 56 Ca 0.33 -0.68 -0.09 0.00 0.31 0.00 0.00 61.69 61.55 1pls s THR 56 Cb -0.17 -1.50 0.04 0.00 0.01 0.00 0.00 72.50 70.87 1pls s THR 56 CO 0.16 0.47 0.31 -0.44 -0.69 0.00 0.00 174.62 174.42 1pls s SER 57 N 1.33 -0.33 1.01 3.53 0.01 -1.26 -1.62 113.70 116.36 1pls s SER 57 Ca 0.02 0.63 -0.17 0.00 1.31 0.00 0.00 55.95 57.74 1pls s SER 57 Cb -0.13 0.60 0.22 0.00 0.21 0.00 0.00 66.02 66.91 1pls s SER 57 CO -0.09 -0.13 1.28 -2.16 0.41 0.00 0.00 173.24 172.56 1pls s PRO 58 N 0.50 0.30 0.00 12.44 0.04 -1.26 -5.11 135.00 141.90 1pls s PRO 58 Ca -0.03 -0.34 0.00 0.00 0.04 0.00 0.00 61.00 60.67 1pls s PRO 58 Cb -0.04 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1pls s PRO 58 CO -0.03 -2.66 0.00 0.00 0.04 0.00 0.00 177.00 174.36 1pls n GLN 60 N 0.00 -4.73 -0.17 0.00 7.27 -1.26 -4.52 117.38 113.96 1pls n GLN 60 Ca 0.00 3.45 0.08 0.00 0.07 0.00 0.00 57.00 60.59 1pls n GLN 60 Cb 0.00 -3.92 0.17 0.00 2.41 0.00 0.00 30.24 28.90 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 1.63 2.98 -0.02 1.69 2.03 -1.26 -2.83 116.55 120.78 1pls n ASP 61 Ca 0.00 -1.89 -0.22 0.00 0.52 0.00 0.00 54.79 53.20 1pls n ASP 61 Cb 0.00 -0.23 -0.13 0.00 -0.72 0.00 0.00 41.12 40.04 1pls n ASP 61 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 1pls h PHE 62 N 2.82 0.38 0.00 -0.67 0.04 -2.05 -3.41 116.94 114.05 1pls h PHE 62 Ca 0.00 -0.28 0.00 0.00 2.80 0.00 0.00 57.97 60.49 1pls h PHE 62 Cb 0.76 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.90 1pls h PHE 62 CO 0.23 1.69 -0.88 0.41 -0.60 0.00 0.00 178.31 179.15 1pls n GLY 63 N 1.83 0.10 2.46 -1.45 0.00 -1.26 -4.97 105.19 101.90 1pls n GLY 63 Ca -0.31 -0.05 -0.06 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.46 -2.36 -0.70 1.61 0.00 -1.13 -4.67 118.16 109.44 1pls n LYS 64 Ca -0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 58.31 58.32 1pls n LYS 64 Cb 0.05 -3.78 0.25 0.00 -0.00 0.00 0.00 35.03 31.55 1pls n LYS 64 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1pls n ARG 65 N -2.30 3.31 -1.10 -1.58 0.63 -1.26 -5.04 116.66 109.32 1pls n ARG 65 Ca 0.02 -2.22 0.15 0.00 -0.92 0.00 0.00 57.85 54.88 1pls n ARG 65 Cb 0.41 -2.00 -0.04 0.00 0.45 0.00 0.00 32.46 31.29 1pls n ARG 65 CO 0.00 0.00 0.00 -1.33 -2.51 0.00 0.00 177.63 173.79 1pls n MET 66 N 0.16 -2.21 0.00 -0.14 2.81 -1.26 -4.79 117.12 111.70 1pls n MET 66 Ca 0.26 1.45 0.00 0.00 -1.81 0.00 0.00 57.70 57.60 1pls n MET 66 Cb 1.03 -2.69 0.00 0.00 -0.71 0.00 0.00 33.22 30.85 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 -3.39 0.00 -3.97 2.03 3.72 -1.26 -4.93 117.46 109.65 1pls n PHE 67 Ca 0.01 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.05 1pls n PHE 67 Cb 0.50 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.96 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 -1.31 5.09 0.14 -4.37 0.11 -1.25 -2.28 120.40 116.51 1pls s VAL 68 Ca 0.00 0.06 0.07 0.00 -2.93 0.00 0.00 61.98 59.18 1pls s VAL 68 Cb 0.00 -3.24 -0.04 0.00 -1.53 0.00 0.00 36.38 31.57 1pls s VAL 68 CO 0.00 0.54 -0.03 0.72 -3.33 0.00 0.00 175.10 173.00 1pls s PHE 69 N -0.37 2.85 -0.29 1.54 -0.12 -0.71 -3.14 117.98 117.73 1pls s PHE 69 Ca 0.10 -0.12 0.02 0.00 -0.05 0.00 0.00 56.93 56.88 1pls s PHE 69 Cb -0.12 -1.43 0.08 0.00 -0.63 0.00 0.00 43.02 40.93 1pls s PHE 69 CO 0.02 0.49 0.02 0.21 -0.05 0.00 0.00 175.22 175.90 1pls s LYS 70 N -2.60 1.41 0.55 1.99 2.20 -0.64 -0.97 119.74 121.68 1pls s LYS 70 Ca 0.25 -1.38 -0.01 0.00 -0.36 0.00 0.00 55.97 54.47 1pls s LYS 70 Cb -0.10 -2.72 0.02 0.00 -1.51 0.00 0.00 37.83 33.52 1pls s LYS 70 CO 0.17 -0.82 0.80 0.42 -0.36 0.00 0.00 175.35 175.57 1pls s ILE 71 N 1.23 3.19 -0.41 5.43 1.01 -0.99 -0.45 121.20 130.22 1pls s ILE 71 Ca 0.04 -0.44 0.04 0.00 0.00 0.00 0.00 60.65 60.29 1pls s ILE 71 Cb -0.19 -3.23 0.17 0.00 0.01 0.00 0.00 42.46 39.22 1pls s ILE 71 CO -0.11 -0.19 0.40 -0.89 0.00 0.00 0.00 174.94 174.15 1pls s THR 72 N -2.81 -0.10 1.01 2.92 2.01 0.18 -0.88 115.64 117.97 1pls s THR 72 Ca 0.54 -1.79 -0.22 0.00 0.31 0.00 0.00 61.69 60.54 1pls s THR 72 Cb -0.10 -0.86 -0.12 0.00 0.01 0.00 0.00 72.50 71.43 1pls s THR 72 CO 0.40 -0.82 -0.90 0.35 -0.69 0.00 0.00 174.62 172.97 1pls n THR 73 N 3.40 0.00 0.26 -0.82 -2.24 -1.03 -1.33 114.28 112.52 1pls n THR 73 Ca 0.20 -0.23 0.15 0.00 -2.27 0.00 0.00 64.05 61.91 1pls n THR 73 Cb 0.47 -0.15 0.77 0.00 -2.10 0.00 0.00 70.33 69.32 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 -1.21 0.00 -0.30 4.28 1.03 0.28 -0.29 112.91 116.70 1pls h THR 74 Ca -0.43 -0.09 0.00 0.00 -0.01 0.00 0.00 66.41 65.88 1pls h THR 74 Cb 1.35 0.81 0.00 0.00 -1.07 0.00 0.00 68.15 69.24 1pls h THR 74 CO 0.25 0.00 0.00 0.29 -0.01 0.00 0.00 175.52 176.05 1pls n LYS 75 N -2.58 3.03 -2.88 0.00 5.02 -1.26 -4.85 118.16 114.63 1pls n LYS 75 Ca -0.01 -1.65 -0.20 0.00 -2.02 0.00 0.00 58.31 54.43 1pls n LYS 75 Cb 0.10 -1.89 0.03 0.00 -0.02 0.00 0.00 35.03 33.25 1pls n LYS 75 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1pls n GLN 76 N 0.34 -4.13 -3.24 1.97 6.02 -0.12 -4.93 117.38 113.29 1pls n GLN 76 Ca 0.15 0.83 -0.46 0.00 -0.01 0.00 0.00 57.00 57.51 1pls n GLN 76 Cb 0.74 -5.48 -0.03 0.00 1.02 0.00 0.00 30.24 26.48 1pls n GLN 76 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1pls s GLN 77 N -5.51 3.34 0.77 -1.09 -0.21 -1.24 -4.87 119.66 110.84 1pls s GLN 77 Ca 0.25 -1.97 -0.14 0.00 0.02 0.00 0.00 55.36 53.52 1pls s GLN 77 Cb -0.11 -4.42 0.06 0.00 1.00 0.00 0.00 33.01 29.54 1pls s GLN 77 CO 0.30 -1.40 1.18 -0.51 -2.12 0.00 0.00 175.29 172.74 1pls s ASP 78 N 2.98 3.99 -0.04 5.90 1.01 -1.26 -2.47 116.67 126.79 1pls s ASP 78 Ca 0.14 2.27 -0.01 0.00 0.71 0.00 0.00 52.55 55.67 1pls s ASP 78 Cb -0.17 -2.58 0.03 0.00 1.01 0.00 0.00 42.92 41.21 1pls s ASP 78 CO -0.03 -2.39 0.04 -1.00 0.21 0.00 0.00 175.17 172.00 1pls s HIS 79 N -2.19 0.13 -0.20 4.23 3.76 -0.05 -4.91 115.29 116.05 1pls s HIS 79 Ca 0.72 0.16 -0.17 0.00 -0.15 0.00 0.00 55.06 55.61 1pls s HIS 79 Cb -0.27 -0.43 -0.04 0.00 1.11 0.00 0.00 32.58 32.96 1pls s HIS 79 CO 0.48 -0.16 0.46 -0.06 -0.85 0.00 0.00 174.74 174.61 1pls s PHE 80 N 1.70 3.36 0.01 1.40 0.08 -1.26 -2.33 117.98 120.94 1pls s PHE 80 Ca -0.01 0.69 0.07 0.00 0.12 0.00 0.00 56.93 57.80 1pls s PHE 80 Cb -0.12 -2.61 -0.02 0.00 -0.57 0.00 0.00 43.02 39.70 1pls s PHE 80 CO -0.03 -0.07 -0.23 0.12 -0.10 0.00 0.00 175.22 174.91 1pls s PHE 81 N 1.53 2.01 -0.20 0.36 5.36 -0.15 -2.36 117.98 124.53 1pls s PHE 81 Ca 0.21 -0.38 -0.03 0.00 -0.96 0.00 0.00 56.93 55.77 1pls s PHE 81 Cb -0.15 -1.26 0.07 0.00 -0.34 0.00 0.00 43.02 41.34 1pls s PHE 81 CO 0.09 0.02 0.05 -0.65 -1.46 0.00 0.00 175.22 173.27 1pls s GLN 82 N -0.78 0.54 0.00 10.12 -1.52 -0.11 -1.74 119.66 126.17 1pls s GLN 82 Ca 0.09 -0.42 0.00 0.00 -1.95 0.00 0.00 55.36 53.07 1pls s GLN 82 Cb -0.09 -2.01 0.00 0.00 -0.22 0.00 0.00 33.01 30.69 1pls s GLN 82 CO 0.00 -0.69 0.00 0.00 -0.25 0.00 0.00 175.29 174.35 1pls n ALA 83 N 5.08 0.00 -0.64 6.09 0.00 -0.97 -2.32 120.51 127.76 1pls n ALA 83 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1pls n ALA 83 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 0.98 -3.58 0.00 0.00 -1.26 -4.89 120.51 108.75 1pls n ALA 84 Ca 0.00 -0.26 -0.07 0.00 0.00 0.00 0.00 53.44 53.11 1pls n ALA 84 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 -0.06 -0.24 0.39 0.00 -0.12 -1.26 -5.00 117.98 111.70 1pls s PHE 85 Ca 0.00 0.31 0.34 0.00 -0.05 0.00 0.00 56.93 57.53 1pls s PHE 85 Cb 0.00 0.49 1.69 0.00 -0.63 0.00 0.00 43.02 44.56 1pls s PHE 85 CO 0.00 -0.27 2.13 1.37 -0.05 0.00 0.00 175.22 178.39 1pls h LEU 86 N 2.23 0.00 0.12 -1.99 -0.00 -1.92 -0.88 115.31 112.85 1pls h LEU 86 Ca -0.14 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.73 1pls h LEU 86 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.84 1pls h LEU 86 CO 0.27 0.06 -0.06 -0.08 -0.00 0.00 0.00 178.44 178.63 1pls h GLU 87 N 0.00 -0.15 0.00 0.17 4.22 -2.00 -1.98 114.58 114.84 1pls h GLU 87 Ca -0.00 0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.45 1pls h GLU 87 Cb 0.30 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 1pls h GLU 87 CO 0.01 -0.10 -0.00 1.49 -2.18 0.00 0.00 179.01 178.22 1pls h GLU 88 N -0.21 0.00 0.44 1.92 4.81 -1.96 -2.28 114.58 117.31 1pls h GLU 88 Ca -0.02 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1pls h GLU 88 Cb 0.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1pls h GLU 88 CO 0.03 0.00 -0.21 -0.09 -0.73 0.00 0.00 179.01 178.01 1pls h ARG 89 N 0.00 -0.57 -0.60 1.92 1.12 -0.99 -0.27 114.38 114.99 1pls h ARG 89 Ca -0.00 0.04 0.08 0.00 -1.11 0.00 0.00 59.98 58.99 1pls h ARG 89 Cb 0.02 0.13 -0.04 0.00 -0.01 0.00 0.00 29.97 30.07 1pls h ARG 89 CO 0.00 -0.38 0.40 0.22 -3.11 0.00 0.00 179.97 177.10 1pls h ASP 90 N -0.64 0.44 -0.19 -3.80 1.82 -1.13 0.93 116.42 113.85 1pls h ASP 90 Ca -0.06 0.01 -0.03 0.00 -0.39 0.00 0.00 57.03 56.55 1pls h ASP 90 Cb 0.45 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 40.36 1pls h ASP 90 CO 0.10 0.28 0.04 0.00 -1.61 0.00 0.00 179.24 178.04 1pls h ALA 91 N 1.69 1.53 0.17 -0.78 0.00 -1.22 0.46 119.26 121.11 1pls h ALA 91 Ca 0.27 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1pls h ALA 91 Cb 0.40 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1pls h ALA 91 CO -0.08 0.34 -0.08 -1.49 0.00 0.00 0.00 179.25 177.95 1pls h TRP 92 N 0.41 -0.21 0.00 0.00 4.06 0.99 -2.63 115.95 118.58 1pls h TRP 92 Ca 0.10 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.04 1pls h TRP 92 Cb 0.22 0.07 0.00 0.00 -1.00 0.00 0.00 29.16 28.45 1pls h TRP 92 CO 0.01 0.15 0.00 1.33 -3.56 0.00 0.00 178.44 176.36 1pls n VAL 93 N -4.91 1.42 0.09 1.49 0.24 -0.63 -1.15 118.33 114.88 1pls n VAL 93 Ca -0.06 0.42 -0.23 0.00 -2.04 0.00 0.00 64.34 62.42 1pls n VAL 93 Cb 0.22 -1.32 -0.15 0.00 -1.47 0.00 0.00 33.84 31.12 1pls n VAL 93 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1pls h ARG 94 N 0.00 0.42 0.00 7.34 2.47 0.01 -2.29 114.38 122.33 1pls h ARG 94 Ca 0.00 -0.71 -0.04 0.00 -1.26 0.00 0.00 59.98 57.97 1pls h ARG 94 Cb 0.12 0.27 -0.01 0.00 -1.65 0.00 0.00 29.97 28.70 1pls h ARG 94 CO 0.00 1.34 -0.83 0.22 0.56 0.00 0.00 179.97 181.25 1pls h ASP 95 N 0.11 0.00 0.25 7.04 1.82 -1.02 -2.15 116.42 122.47 1pls h ASP 95 Ca -0.33 0.00 -0.34 0.00 -0.39 0.00 0.00 57.03 55.97 1pls h ASP 95 Cb 2.11 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 42.11 1pls h ASP 95 CO 0.20 0.13 -1.79 0.40 -1.61 0.00 0.00 179.24 176.57 1pls h ILE 96 N 0.00 0.86 0.09 2.25 2.04 -1.27 -2.57 117.51 118.91 1pls h ILE 96 Ca -0.03 -2.53 -0.25 0.00 1.00 0.00 0.00 64.86 63.05 1pls h ILE 96 Cb 1.13 2.64 -0.01 0.00 -0.74 0.00 0.00 36.82 39.84 1pls h ILE 96 CO 0.01 0.83 -1.17 -1.13 0.00 0.00 0.00 178.15 176.69 1pls h ASN 97 N 0.08 0.28 -0.11 1.72 -0.00 -1.54 -2.24 115.58 113.77 1pls h ASN 97 Ca -0.35 -0.31 -0.10 0.00 -0.00 0.00 0.00 56.30 55.54 1pls h ASN 97 Cb 2.05 -0.09 0.00 0.00 -0.00 0.00 0.00 38.32 40.28 1pls h ASN 97 CO 0.13 1.24 -0.34 0.50 -0.00 0.00 0.00 177.43 178.97 1pls h LYS 98 N 0.05 0.42 -0.58 6.67 1.63 -1.53 -0.93 116.57 122.30 1pls h LYS 98 Ca -0.10 -0.31 -0.06 0.00 -0.85 0.00 0.00 60.65 59.33 1pls h LYS 98 Cb 1.91 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 33.57 1pls h LYS 98 CO 0.18 0.93 0.11 0.00 -3.45 0.00 0.00 179.45 177.22 1pls h ALA 99 N 0.49 0.76 -0.16 5.00 0.00 -1.54 0.53 119.26 124.34 1pls h ALA 99 Ca -0.01 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 1pls h ALA 99 Cb 0.96 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1pls h ALA 99 CO 0.07 0.50 -0.25 0.82 0.00 0.00 0.00 179.25 180.39 1pls h ILE 100 N 0.85 1.25 0.00 0.00 2.04 -1.40 -0.40 117.51 119.84 1pls h ILE 100 Ca 0.18 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.88 1pls h ILE 100 Cb 0.39 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 1pls h ILE 100 CO 0.01 0.36 -0.11 1.17 0.00 0.00 0.00 178.15 179.57 1pls n LYS 101 N -4.15 0.10 -0.00 2.37 4.81 -0.36 -3.29 118.16 117.65 1pls n LYS 101 Ca -0.01 0.07 0.02 0.00 -0.87 0.00 0.00 58.31 57.53 1pls n LYS 101 Cb 0.37 -1.61 -0.11 0.00 0.02 0.00 0.00 35.03 33.70 1pls n LYS 101 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1pls h ILE 103 N 0.00 0.50 0.00 0.00 1.08 -1.09 0.44 117.51 118.43 1pls h ILE 103 Ca -0.18 -0.86 0.00 0.00 -0.39 0.00 0.00 64.86 63.42 1pls h ILE 103 Cb 1.49 1.60 0.00 0.00 -3.07 0.00 0.00 36.82 36.84 1pls h ILE 103 CO 0.02 0.17 0.00 -0.62 -0.69 0.00 0.00 178.15 177.03 1pls n GLU 104 N -3.43 0.73 -0.48 2.37 1.02 -1.25 -3.48 120.64 116.12 1pls n GLU 104 Ca -0.01 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1pls n GLU 104 Cb 0.35 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 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 0.84 0.69 2.39 0.62 0.00 -0.66 -4.94 105.19 104.13 1pls n GLY 105 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 6.93 -4.71 0.99 0.00 0.15 -4.92 117.00 115.43 1pls n LEU 106 Ca 0.00 -4.18 -0.39 0.00 0.00 0.00 0.00 56.01 51.44 1pls n LEU 106 Cb 0.59 -1.33 -0.06 0.00 0.00 0.00 0.00 43.42 42.62 1pls n LEU 106 CO 0.00 1.85 0.26 -1.61 0.00 0.00 0.00 177.39 177.90 1pls s GLU 107 N -0.74 4.34 0.17 1.96 2.02 -1.26 -5.01 118.70 120.17 1pls s GLU 107 Ca 0.60 0.59 -0.30 0.00 0.02 0.00 0.00 54.97 55.88 1pls s GLU 107 Cb 0.30 -3.46 -0.07 0.00 0.10 0.00 0.00 34.13 30.99 1pls s GLU 107 CO -0.13 0.06 1.10 -1.58 0.02 0.00 0.00 175.26 174.73 1pls s HIS 108 N 0.90 3.59 0.00 1.61 5.65 -1.26 -5.00 115.29 120.78 1pls s HIS 108 Ca 0.29 1.59 0.00 0.00 0.25 0.00 0.00 55.06 57.19 1pls s HIS 108 Cb -0.16 -3.28 0.00 0.00 -1.18 0.00 0.00 32.58 27.96 1pls s HIS 108 CO 0.12 -0.63 0.00 0.72 -0.65 0.00 0.00 174.74 174.31 1pls n HIS 109 N 2.49 0.00 -4.23 3.88 -0.00 -1.26 -5.17 115.22 110.92 1pls n HIS 109 Ca 0.03 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.51 1pls n HIS 109 Cb 0.46 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.38 1pls n HIS 109 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1pls s HIS 110 N 0.00 2.82 0.00 4.41 3.76 -1.26 -5.02 115.29 120.00 1pls s HIS 110 Ca 0.00 -0.17 0.00 0.00 -0.15 0.00 0.00 55.06 54.74 1pls s HIS 110 Cb 0.00 -1.29 0.00 0.00 1.11 0.00 0.00 32.58 32.40 1pls s HIS 110 CO 0.00 0.57 0.49 1.58 -0.85 0.00 0.00 174.74 176.54 1pls n HIS 111 N -0.72 0.00 0.02 1.40 -0.00 -1.26 -4.85 115.22 109.82 1pls n HIS 111 Ca -0.08 0.00 -0.19 0.00 0.46 0.00 0.00 57.72 57.91 1pls n HIS 111 Cb 0.58 0.00 -0.10 0.00 -0.12 0.00 0.00 29.99 30.35 1pls n HIS 111 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1pls h HIS 112 N 0.00 0.95 0.00 1.57 3.86 -2.09 -3.59 115.15 115.84 1pls h HIS 112 Ca 0.00 -0.50 0.00 0.00 -1.16 0.00 0.00 60.37 58.71 1pls h HIS 112 Cb 1.01 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 29.36 1pls h HIS 112 CO 0.00 1.33 0.00 1.58 0.86 0.00 0.00 177.93 181.70