#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 0.76 0.53 3.17 2.02 -1.26 -5.14 118.70 118.78 1pls s GLU 2 Ca 0.00 -0.47 -0.20 0.00 0.02 0.00 0.00 54.97 54.32 1pls s GLU 2 Cb 0.00 0.23 -0.08 0.00 0.10 0.00 0.00 34.13 34.38 1pls s GLU 2 CO 0.00 -0.36 0.79 -2.30 0.02 0.00 0.00 175.26 173.41 1pls n PRO 3 N -0.69 0.85 -3.72 0.39 -0.02 -1.26 -4.98 135.00 125.56 1pls n PRO 3 Ca -0.02 0.32 -0.30 0.00 -2.02 0.00 0.00 63.50 61.48 1pls n PRO 3 Cb 0.60 -1.92 -0.14 0.00 -0.02 0.00 0.00 33.50 32.02 1pls n PRO 3 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1pls s LYS 4 N -2.24 0.93 0.32 -0.52 1.02 -1.26 -5.11 119.74 112.88 1pls s LYS 4 Ca 0.69 -1.44 -0.24 0.00 0.02 0.00 0.00 55.97 55.00 1pls s LYS 4 Cb -0.48 -2.11 -0.10 0.00 -0.52 0.00 0.00 37.83 34.62 1pls s LYS 4 CO 0.53 -1.06 0.91 1.03 -0.92 0.00 0.00 175.35 175.84 1pls s ARG 5 N 1.12 4.48 -0.06 1.68 3.00 -1.26 -4.61 118.95 123.30 1pls s ARG 5 Ca 0.13 1.22 -0.26 0.00 0.00 0.00 0.00 55.73 56.82 1pls s ARG 5 Cb -0.20 -2.72 -0.23 0.00 0.00 0.00 0.00 34.95 31.80 1pls s ARG 5 CO -0.14 0.25 1.06 0.82 0.00 0.00 0.00 175.30 177.29 1pls h ILE 6 N 2.52 1.55 -3.89 1.52 2.04 -1.54 -3.46 117.51 116.25 1pls h ILE 6 Ca -0.47 -1.73 -0.29 0.00 1.00 0.00 0.00 64.86 63.36 1pls h ILE 6 Cb 1.19 2.67 -0.27 0.00 -0.74 0.00 0.00 36.82 39.67 1pls h ILE 6 CO 0.64 0.46 -0.74 -0.13 0.00 0.00 0.00 178.15 178.38 1pls s ARG 7 N -3.35 0.37 -0.12 2.37 1.81 -0.98 -5.02 118.95 114.04 1pls s ARG 7 Ca -0.17 -0.27 -0.09 0.00 -1.72 0.00 0.00 55.73 53.48 1pls s ARG 7 Cb 0.00 -0.30 0.04 0.00 -0.45 0.00 0.00 34.95 34.24 1pls s ARG 7 CO 0.70 0.08 0.31 -1.83 -0.68 0.00 0.00 175.30 173.88 1pls s GLU 8 N -0.41 0.33 0.00 3.54 1.03 -1.26 -0.16 118.70 121.77 1pls s GLU 8 Ca -0.01 0.48 0.00 0.00 0.03 0.00 0.00 54.97 55.47 1pls s GLU 8 Cb -0.03 0.10 0.00 0.00 -0.80 0.00 0.00 34.13 33.39 1pls s GLU 8 CO -0.00 -0.08 0.00 0.41 -1.33 0.00 0.00 175.26 174.26 1pls n GLY 9 N 3.31 3.10 2.54 -3.83 0.00 -0.75 -5.00 105.19 104.56 1pls n GLY 9 Ca -0.16 -0.42 -0.28 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.94 0.34 0.43 1.61 1.13 -1.26 -2.37 117.35 116.29 1pls s TYR 10 Ca 0.00 -0.97 0.06 0.00 -1.41 0.00 0.00 57.07 54.75 1pls s TYR 10 Cb 0.00 -0.87 -0.06 0.00 -1.10 0.00 0.00 41.96 39.92 1pls s TYR 10 CO 0.00 -0.84 0.01 -0.51 -2.51 0.00 0.00 175.55 171.70 1pls s LEU 11 N 1.94 2.74 -0.17 -3.49 2.01 -0.52 -4.78 118.68 116.40 1pls s LEU 11 Ca 0.11 -1.43 -0.07 0.00 0.01 0.00 0.00 54.13 52.74 1pls s LEU 11 Cb -0.17 -0.86 -0.04 0.00 0.01 0.00 0.00 46.19 45.13 1pls s LEU 11 CO -0.30 -0.54 0.08 0.54 1.01 0.00 0.00 176.35 177.13 1pls s VAL 12 N -2.75 4.93 0.25 -1.59 0.11 -1.06 0.09 120.40 120.37 1pls s VAL 12 Ca 0.28 0.01 0.02 0.00 -2.93 0.00 0.00 61.98 59.37 1pls s VAL 12 Cb 0.08 -3.21 -0.05 0.00 -1.53 0.00 0.00 36.38 31.67 1pls s VAL 12 CO 0.15 0.48 0.05 -0.75 -3.33 0.00 0.00 175.10 171.70 1pls s LYS 13 N 0.15 1.40 -0.43 1.54 2.20 -0.98 -1.22 119.74 122.40 1pls s LYS 13 Ca 0.06 -1.74 -0.27 0.00 -0.36 0.00 0.00 55.97 53.65 1pls s LYS 13 Cb -0.12 -0.48 -0.04 0.00 -1.51 0.00 0.00 37.83 35.68 1pls s LYS 13 CO 0.00 -0.20 2.13 0.15 -0.36 0.00 0.00 175.35 177.07 1pls s LYS 14 N -3.94 2.66 0.00 4.03 -0.14 -0.21 -3.19 119.74 118.95 1pls s LYS 14 Ca 0.33 1.36 0.00 0.00 -1.36 0.00 0.00 55.97 56.30 1pls s LYS 14 Cb 0.07 -4.42 0.00 0.00 -1.68 0.00 0.00 37.83 31.80 1pls s LYS 14 CO 0.11 -2.65 0.51 0.41 -0.76 0.00 0.00 175.35 172.97 1pls n GLY 15 N 5.78 -1.54 0.00 -3.33 0.00 -1.26 -4.93 105.19 99.91 1pls n GLY 15 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.40 0.00 -3.13 1.61 2.88 -1.26 -5.05 113.62 107.27 1pls n SER 16 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1pls n SER 16 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1pls n SER 16 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1pls n VAL 17 N 1.87 -1.50 -1.72 2.46 3.14 -1.26 -4.35 118.33 116.97 1pls n VAL 17 Ca 0.00 0.25 0.00 0.00 -2.96 0.00 0.00 64.34 61.63 1pls n VAL 17 Cb 0.00 -2.74 0.00 0.00 -1.06 0.00 0.00 33.84 30.04 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 1.91 -4.33 -1.52 1.45 3.01 -1.26 -4.44 117.46 112.27 1pls n PHE 18 Ca 0.00 2.35 -0.33 0.00 1.01 0.00 0.00 57.45 60.48 1pls n PHE 18 Cb 0.25 -3.47 -0.12 0.00 -0.01 0.00 0.00 39.48 36.13 1pls n PHE 18 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1pls n ASN 19 N 0.76 0.72 -3.98 4.37 5.03 -1.26 -4.85 115.26 116.05 1pls n ASN 19 Ca 0.00 -0.32 -0.24 0.00 0.87 0.00 0.00 54.58 54.89 1pls n ASN 19 Cb 0.00 -1.12 -0.05 0.00 -1.02 0.00 0.00 39.78 37.59 1pls n ASN 19 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1pls n THR 20 N 7.45 0.00 -3.52 3.41 -2.24 -1.26 -5.10 114.28 113.01 1pls n THR 20 Ca 0.56 -1.80 -0.23 0.00 -2.27 0.00 0.00 64.05 60.32 1pls n THR 20 Cb 0.24 0.37 -0.14 0.00 -2.10 0.00 0.00 70.33 68.70 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 -2.39 -0.05 -0.00 4.78 0.52 -1.26 -4.18 118.94 116.36 1pls s TRP 21 Ca 0.01 -0.21 0.04 0.00 0.02 0.00 0.00 56.10 55.95 1pls s TRP 21 Cb 0.00 -0.58 -0.01 0.00 -1.15 0.00 0.00 33.47 31.73 1pls s TRP 21 CO 0.00 -0.67 -0.13 0.15 0.02 0.00 0.00 176.95 176.33 1pls s LYS 22 N 2.23 1.01 1.02 4.98 -0.14 -1.19 -4.94 119.74 122.71 1pls s LYS 22 Ca 0.06 -0.49 -0.15 0.00 -1.36 0.00 0.00 55.97 54.03 1pls s LYS 22 Cb -0.16 -0.98 0.08 0.00 -1.68 0.00 0.00 37.83 35.09 1pls s LYS 22 CO -0.19 0.26 0.31 -2.30 -0.76 0.00 0.00 175.35 172.67 1pls n PRO 23 N 2.64 -0.86 -3.61 -1.68 -0.02 -1.26 -2.31 135.00 127.90 1pls n PRO 23 Ca -0.15 -0.22 -0.04 0.00 -2.02 0.00 0.00 63.50 61.08 1pls n PRO 23 Cb 0.56 -1.83 -0.02 0.00 -0.02 0.00 0.00 33.50 32.18 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 -3.63 0.20 0.15 -0.52 0.23 0.11 -4.73 119.30 111.11 1pls s MET 24 Ca 0.57 -0.07 -0.14 0.00 -1.03 0.00 0.00 55.69 55.02 1pls s MET 24 Cb -0.18 0.09 -0.07 0.00 -1.53 0.00 0.00 34.83 33.14 1pls s MET 24 CO 0.67 -0.09 0.55 -0.46 -2.03 0.00 0.00 175.02 173.66 1pls s TRP 25 N -2.23 3.59 -0.15 3.16 -0.11 -0.12 -1.44 118.94 121.65 1pls s TRP 25 Ca 0.10 1.05 -0.11 0.00 1.22 0.00 0.00 56.10 58.36 1pls s TRP 25 Cb -0.01 -2.37 0.04 0.00 -1.50 0.00 0.00 33.47 29.64 1pls s TRP 25 CO -0.04 0.42 0.38 0.54 -4.62 0.00 0.00 176.95 173.63 1pls s VAL 26 N -1.49 -0.01 -0.31 5.86 0.11 -1.00 -0.02 120.40 123.54 1pls s VAL 26 Ca 0.39 0.04 0.01 0.00 -2.93 0.00 0.00 61.98 59.48 1pls s VAL 26 Cb -0.15 -0.54 0.09 0.00 -1.53 0.00 0.00 36.38 34.25 1pls s VAL 26 CO 0.19 0.02 0.06 0.68 -3.33 0.00 0.00 175.10 172.72 1pls s VAL 27 N 0.62 1.40 -0.16 2.04 -7.23 -0.91 -1.81 120.40 114.35 1pls s VAL 27 Ca -0.03 -1.65 -0.29 0.00 -1.81 0.00 0.00 61.98 58.19 1pls s VAL 27 Cb -0.05 -1.99 -0.02 0.00 0.56 0.00 0.00 36.38 34.88 1pls s VAL 27 CO -0.04 -0.56 1.33 -1.48 -0.31 0.00 0.00 175.10 174.04 1pls s LEU 28 N 1.37 4.18 0.34 1.32 0.05 0.77 -2.29 118.68 124.43 1pls s LEU 28 Ca 0.08 1.74 0.08 0.00 0.05 0.00 0.00 54.13 56.08 1pls s LEU 28 Cb -0.18 -3.54 -0.03 0.00 -2.05 0.00 0.00 46.19 40.39 1pls s LEU 28 CO -0.17 -0.81 0.22 -0.76 -0.55 0.00 0.00 176.35 174.28 1pls s LEU 29 N 3.65 3.41 0.23 1.48 1.02 -0.71 -1.34 118.68 126.42 1pls s LEU 29 Ca 0.58 -0.66 0.24 0.00 0.02 0.00 0.00 54.13 54.31 1pls s LEU 29 Cb -0.23 -1.95 0.92 0.00 0.02 0.00 0.00 46.19 44.95 1pls s LEU 29 CO 0.17 -0.35 1.73 1.21 0.02 0.00 0.00 176.35 179.14 1pls n GLU 30 N -1.27 0.21 -0.16 1.70 2.13 -1.26 -2.28 120.64 119.71 1pls n GLU 30 Ca -0.02 0.34 0.09 0.00 0.66 0.00 0.00 57.16 58.23 1pls n GLU 30 Cb 0.61 -1.84 0.17 0.00 0.27 0.00 0.00 31.44 30.65 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 -2.22 3.03 0.00 4.31 5.75 -1.26 -4.72 116.55 121.44 1pls n ASP 31 Ca 0.03 -1.88 0.00 0.00 -0.01 0.00 0.00 54.79 52.93 1pls n ASP 31 Cb 0.30 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 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 1.03 4.69 3.50 6.12 0.00 -0.97 -4.75 105.19 114.82 1pls n GLY 32 Ca 0.15 -0.93 -0.43 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.41 4.73 -0.29 -0.61 1.09 -0.73 -1.73 121.20 122.24 1pls s ILE 33 Ca 0.00 0.01 -0.09 0.00 -1.10 0.00 0.00 60.65 59.47 1pls s ILE 33 Cb 0.00 -4.32 -0.01 0.00 -1.06 0.00 0.00 42.46 37.07 1pls s ILE 33 CO 0.00 -0.78 0.12 -1.83 -0.10 0.00 0.00 174.94 172.35 1pls s GLU 34 N 3.06 3.39 0.10 2.79 -1.05 -0.97 -1.01 118.70 125.01 1pls s GLU 34 Ca 0.23 -0.67 0.10 0.00 -0.15 0.00 0.00 54.97 54.48 1pls s GLU 34 Cb -0.15 -3.48 -0.04 0.00 -0.44 0.00 0.00 34.13 30.02 1pls s GLU 34 CO 0.17 -0.36 -0.27 -0.59 0.95 0.00 0.00 175.26 175.17 1pls s PHE 35 N 1.60 2.29 0.00 4.83 -0.12 -0.98 -2.14 117.98 123.47 1pls s PHE 35 Ca 0.05 -0.39 0.00 0.00 -0.05 0.00 0.00 56.93 56.53 1pls s PHE 35 Cb -0.17 -1.30 0.00 0.00 -0.63 0.00 0.00 43.02 40.93 1pls s PHE 35 CO 0.05 0.25 0.00 0.66 -0.05 0.00 0.00 175.22 176.13 1pls n TYR 36 N 1.27 0.00 -0.06 3.49 4.02 0.97 -1.36 117.16 125.48 1pls n TYR 36 Ca -0.18 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.51 1pls n TYR 36 Cb 0.53 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.72 1pls n TYR 36 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1pls n LYS 37 N 0.00 0.70 -3.72 -0.72 4.81 -1.26 -0.94 118.16 117.03 1pls n LYS 37 Ca 0.00 0.22 -0.24 0.00 -0.87 0.00 0.00 58.31 57.42 1pls n LYS 37 Cb 0.00 -1.62 -0.02 0.00 0.02 0.00 0.00 35.03 33.42 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 -3.45 0.84 -0.21 1.64 5.02 -1.26 -1.79 118.16 118.95 1pls n LYS 38 Ca -0.39 -3.00 0.30 0.00 -2.02 0.00 0.00 58.31 53.20 1pls n LYS 38 Cb 1.00 0.47 0.55 0.00 -0.02 0.00 0.00 35.03 37.04 1pls n LYS 38 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1pls h LYS 39 N 0.00 0.00 0.00 1.97 3.64 -1.93 -3.33 116.57 116.92 1pls h LYS 39 Ca -0.32 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 1pls h LYS 39 Cb 1.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1pls h LYS 39 CO 0.50 0.00 0.00 0.43 -2.27 0.00 0.00 179.45 178.11 1pls n SER 40 N -3.45 -0.11 0.00 4.20 7.64 -1.26 -4.92 113.62 115.72 1pls n SER 40 Ca 0.22 0.04 0.00 0.00 1.01 0.00 0.00 58.87 60.15 1pls n SER 40 Cb 1.39 0.28 0.00 0.00 -1.01 0.00 0.00 64.21 64.87 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 -2.56 -4.67 -1.56 6.43 2.03 -1.25 -3.15 116.55 111.82 1pls n ASP 41 Ca 0.00 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.30 1pls n ASP 41 Cb 0.00 -2.91 -0.00 0.00 -0.72 0.00 0.00 41.12 37.49 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 -0.72 -0.67 -3.11 1.67 4.13 -1.26 -4.74 115.26 110.57 1pls n ASN 42 Ca 0.00 0.19 0.04 0.00 1.68 0.00 0.00 54.58 56.48 1pls n ASN 42 Cb 0.36 -0.93 -0.00 0.00 -1.54 0.00 0.00 39.78 37.67 1pls n ASN 42 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1pls s SER 43 N -1.43 -1.08 0.18 6.41 0.15 -1.19 -5.13 113.70 111.61 1pls s SER 43 Ca 0.00 -0.09 -0.33 0.00 0.70 0.00 0.00 55.95 56.23 1pls s SER 43 Cb 0.00 1.58 -0.14 0.00 -1.71 0.00 0.00 66.02 65.74 1pls s SER 43 CO 0.00 -0.17 1.43 -2.65 1.20 0.00 0.00 173.24 173.04 1pls n PRO 44 N 4.90 1.84 0.08 5.44 -0.02 -1.26 -4.62 135.00 141.36 1pls n PRO 44 Ca 0.08 0.66 0.07 0.00 -2.02 0.00 0.00 63.50 62.29 1pls n PRO 44 Cb 0.57 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.69 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 4.76 0.00 -1.21 -0.52 3.64 -1.52 -3.48 116.57 118.23 1pls h LYS 45 Ca -0.45 0.00 0.18 0.00 -1.27 0.00 0.00 60.65 59.11 1pls h LYS 45 Cb 1.28 0.00 -0.28 0.00 -0.41 0.00 0.00 32.23 32.82 1pls h LYS 45 CO 0.80 0.10 0.80 0.20 -2.27 0.00 0.00 179.45 179.09 1pls s GLY 46 N -4.51 0.08 0.31 5.01 0.00 -1.16 -5.05 107.32 102.00 1pls s GLY 46 Ca -0.01 2.89 0.07 0.00 0.00 0.00 0.00 44.72 47.66 1pls s GLY 46 CO 0.79 1.43 -0.05 1.06 0.00 0.00 0.00 173.10 176.34 1pls s MET 47 N -0.57 1.66 -0.12 2.90 -1.94 -1.26 -2.33 119.30 117.64 1pls s MET 47 Ca 0.06 -1.86 -0.01 0.00 -1.71 0.00 0.00 55.69 52.17 1pls s MET 47 Cb -0.03 -1.29 0.03 0.00 2.01 0.00 0.00 34.83 35.56 1pls s MET 47 CO -0.08 0.03 -0.02 0.42 -0.01 0.00 0.00 175.02 175.35 1pls s ILE 48 N -2.93 0.67 -0.00 2.53 1.01 -0.18 -4.96 121.20 117.33 1pls s ILE 48 Ca 0.31 -0.20 -0.30 0.00 0.00 0.00 0.00 60.65 60.46 1pls s ILE 48 Cb 0.05 -0.85 -0.05 0.00 0.01 0.00 0.00 42.46 41.61 1pls s ILE 48 CO 0.14 0.19 1.38 -2.16 0.00 0.00 0.00 174.94 174.49 1pls s PRO 49 N 1.84 4.29 -0.34 2.79 0.04 -1.26 -1.78 135.00 140.58 1pls s PRO 49 Ca 0.03 1.94 -0.01 0.00 0.04 0.00 0.00 61.00 63.01 1pls s PRO 49 Cb -0.14 -3.56 0.23 0.00 0.04 0.00 0.00 34.50 31.07 1pls s PRO 49 CO -0.07 -0.56 2.00 1.28 0.04 0.00 0.00 177.00 179.69 1pls n LEU 50 N 5.32 6.49 -0.02 -3.56 4.32 -1.26 -4.09 117.00 124.20 1pls n LEU 50 Ca 0.13 -3.34 -0.22 0.00 -0.02 0.00 0.00 56.01 52.57 1pls n LEU 50 Cb 0.44 -1.04 -0.13 0.00 -1.62 0.00 0.00 43.42 41.07 1pls n LEU 50 CO 0.58 1.23 -0.70 0.50 -1.22 0.00 0.00 177.39 177.78 1pls h LYS 51 N 1.47 0.20 -0.02 3.23 3.64 -1.90 -3.38 116.57 119.80 1pls h LYS 51 Ca 0.31 -0.34 -0.19 0.00 -1.27 0.00 0.00 60.65 59.17 1pls h LYS 51 Cb 0.95 0.13 -0.16 0.00 -0.41 0.00 0.00 32.23 32.73 1pls h LYS 51 CO 0.81 1.16 -0.32 0.41 -2.27 0.00 0.00 179.45 179.24 1pls n GLY 52 N 1.82 1.85 3.55 5.01 0.00 -1.26 -4.63 105.19 111.53 1pls n GLY 52 Ca -0.31 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.22 0.49 -0.21 1.61 0.01 -1.26 -2.62 113.70 110.50 1pls s SER 53 Ca 0.13 0.57 -0.04 0.00 1.31 0.00 0.00 55.95 57.93 1pls s SER 53 Cb 0.43 -0.76 0.09 0.00 0.21 0.00 0.00 66.02 65.99 1pls s SER 53 CO -0.12 -4.38 0.20 0.42 0.41 0.00 0.00 173.24 169.78 1pls s THR 54 N -2.94 -0.28 -0.34 1.44 -4.23 0.34 -4.77 115.64 104.86 1pls s THR 54 Ca 0.71 -0.19 -0.21 0.00 -1.18 0.00 0.00 61.69 60.83 1pls s THR 54 Cb -0.09 -0.70 -0.00 0.00 1.34 0.00 0.00 72.50 73.05 1pls s THR 54 CO 0.56 -0.27 0.67 -0.22 -0.54 0.00 0.00 174.62 174.82 1pls s LEU 55 N 2.29 4.19 -0.23 4.79 1.98 -1.26 0.24 118.68 130.67 1pls s LEU 55 Ca 0.06 0.31 -0.05 0.00 -2.89 0.00 0.00 54.13 51.56 1pls s LEU 55 Cb -0.16 -2.86 -0.01 0.00 0.66 0.00 0.00 46.19 43.82 1pls s LEU 55 CO -0.14 -0.58 -0.01 -0.89 -1.89 0.00 0.00 176.35 172.83 1pls s THR 56 N 2.76 3.62 -0.09 3.68 2.01 -0.53 -4.99 115.64 122.10 1pls s THR 56 Ca 0.26 -0.42 -0.04 0.00 0.31 0.00 0.00 61.69 61.81 1pls s THR 56 Cb -0.14 -2.67 0.05 0.00 0.01 0.00 0.00 72.50 69.75 1pls s THR 56 CO 0.14 0.39 0.18 -0.94 -0.69 0.00 0.00 174.62 173.70 1pls s SER 57 N 1.51 0.35 1.00 3.53 1.04 -1.26 -1.66 113.70 118.21 1pls s SER 57 Ca 0.06 0.38 -0.00 0.00 0.48 0.00 0.00 55.95 56.86 1pls s SER 57 Cb -0.15 0.32 0.01 0.00 0.10 0.00 0.00 66.02 66.30 1pls s SER 57 CO -0.01 -0.21 0.03 -0.81 0.98 0.00 0.00 173.24 173.21 1pls n PRO 58 N 4.90 -0.59 0.00 4.02 -0.04 -1.26 -5.11 135.00 136.92 1pls n PRO 58 Ca -0.13 -0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1pls n PRO 58 Cb 0.51 -0.03 0.00 0.00 -0.04 0.00 0.00 33.50 33.93 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 0.00 0.00 0.00 0.00 10.64 -1.26 -4.98 117.38 121.78 1pls n GLN 60 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1pls n GLN 60 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 1pls n GLN 60 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1pls n ASP 61 N 0.00 0.00 -4.44 2.61 2.03 -1.26 -4.87 116.55 110.61 1pls n ASP 61 Ca 0.00 0.00 -0.44 0.00 0.52 0.00 0.00 54.79 54.87 1pls n ASP 61 Cb 0.00 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.39 1pls n ASP 61 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1pls s PHE 62 N -0.06 3.35 -0.21 -0.67 2.19 -1.26 -4.18 117.98 117.14 1pls s PHE 62 Ca 0.00 -1.77 0.00 0.00 0.33 0.00 0.00 56.93 55.49 1pls s PHE 62 Cb 0.00 -4.25 0.00 0.00 -1.31 0.00 0.00 43.02 37.46 1pls s PHE 62 CO 0.00 -1.40 0.00 0.41 1.83 0.00 0.00 175.22 176.06 1pls n GLY 63 N 4.76 0.53 3.54 13.12 0.00 -1.26 -4.85 105.19 121.02 1pls n GLY 63 Ca 0.28 -0.99 -0.16 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.88 0.37 0.00 1.61 3.00 -1.26 -3.58 118.16 115.42 1pls n LYS 64 Ca -0.02 -0.57 0.00 0.00 -0.00 0.00 0.00 58.31 57.72 1pls n LYS 64 Cb 0.08 -2.79 0.00 0.00 0.00 0.00 0.00 35.03 32.32 1pls n LYS 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1pls n ARG 65 N 7.69 0.00 0.00 1.64 1.74 -1.26 -4.93 116.66 121.54 1pls n ARG 65 Ca 0.54 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.62 1pls n ARG 65 Cb 0.33 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.77 1pls n ARG 65 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1pls n MET 66 N 0.00 2.13 -3.20 5.56 2.81 -1.23 -4.80 117.12 118.38 1pls n MET 66 Ca 0.00 0.00 -0.44 0.00 -1.81 0.00 0.00 57.70 55.45 1pls n MET 66 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 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 0.00 4.10 -4.86 2.03 3.72 -1.26 -4.98 117.46 116.20 1pls n PHE 67 Ca 0.00 -3.39 -0.30 0.00 -0.05 0.00 0.00 57.45 53.71 1pls n PHE 67 Cb 0.00 -1.54 -0.17 0.00 -0.94 0.00 0.00 39.48 36.84 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 -1.86 1.79 0.42 -4.37 0.11 -1.26 -2.28 120.40 112.95 1pls s VAL 68 Ca 0.31 -0.85 0.04 0.00 -2.93 0.00 0.00 61.98 58.56 1pls s VAL 68 Cb -0.04 -1.58 -0.05 0.00 -1.53 0.00 0.00 36.38 33.18 1pls s VAL 68 CO -0.01 0.50 0.03 0.72 -3.33 0.00 0.00 175.10 173.02 1pls s PHE 69 N 0.60 2.13 -0.08 1.54 -0.12 -0.97 -3.57 117.98 117.51 1pls s PHE 69 Ca -0.14 -0.89 -0.00 0.00 -0.05 0.00 0.00 56.93 55.85 1pls s PHE 69 Cb -0.17 -1.55 0.03 0.00 -0.63 0.00 0.00 43.02 40.70 1pls s PHE 69 CO 0.04 0.20 -0.04 -1.59 -0.05 0.00 0.00 175.22 173.78 1pls s LYS 70 N -3.80 1.01 0.51 1.99 0.00 -0.66 -2.16 119.74 116.63 1pls s LYS 70 Ca 0.26 -0.07 0.01 0.00 0.00 0.00 0.00 55.97 56.16 1pls s LYS 70 Cb 0.06 -1.18 0.02 0.00 0.00 0.00 0.00 37.83 36.73 1pls s LYS 70 CO 0.13 -0.24 0.73 0.42 0.00 0.00 0.00 175.35 176.38 1pls s ILE 71 N 1.65 3.18 -0.40 3.79 1.01 -0.72 -1.46 121.20 128.24 1pls s ILE 71 Ca 0.01 -0.62 0.04 0.00 0.00 0.00 0.00 60.65 60.08 1pls s ILE 71 Cb -0.13 -3.18 0.16 0.00 0.01 0.00 0.00 42.46 39.33 1pls s ILE 71 CO -0.05 -0.12 0.40 -0.89 0.00 0.00 0.00 174.94 174.27 1pls s THR 72 N -2.66 -0.18 1.04 2.92 2.01 0.14 -1.47 115.64 117.43 1pls s THR 72 Ca 0.54 -1.55 -0.24 0.00 0.31 0.00 0.00 61.69 60.75 1pls s THR 72 Cb -0.10 -0.79 -0.09 0.00 0.01 0.00 0.00 72.50 71.53 1pls s THR 72 CO 0.38 -0.74 -0.98 0.35 -0.69 0.00 0.00 174.62 172.94 1pls n THR 73 N 3.63 0.00 0.31 -0.82 -2.24 -0.27 -0.50 114.28 114.40 1pls n THR 73 Ca 0.18 -0.12 0.12 0.00 -2.27 0.00 0.00 64.05 61.96 1pls n THR 73 Cb 0.46 -0.22 0.55 0.00 -2.10 0.00 0.00 70.33 69.02 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 -1.39 0.00 -0.35 4.28 1.03 -1.73 -1.13 112.91 113.62 1pls h THR 74 Ca -0.44 -0.17 0.00 0.00 -0.01 0.00 0.00 66.41 65.79 1pls h THR 74 Cb 1.38 0.83 0.00 0.00 -1.07 0.00 0.00 68.15 69.30 1pls h THR 74 CO 0.27 0.00 0.00 0.29 -0.01 0.00 0.00 175.52 176.07 1pls n LYS 75 N -2.31 2.07 -1.81 0.00 5.02 -1.26 -4.86 118.16 115.01 1pls n LYS 75 Ca 0.01 -1.36 -0.08 0.00 -2.02 0.00 0.00 58.31 54.86 1pls n LYS 75 Cb 0.17 -1.41 -0.02 0.00 -0.02 0.00 0.00 35.03 33.75 1pls n LYS 75 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1pls n GLN 76 N 0.52 -0.60 -3.11 1.97 7.27 -0.43 -4.98 117.38 118.01 1pls n GLN 76 Ca 0.13 0.53 -0.41 0.00 0.07 0.00 0.00 57.00 57.32 1pls n GLN 76 Cb 0.39 -4.44 -0.06 0.00 2.41 0.00 0.00 30.24 28.54 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 -3.76 4.07 0.00 3.69 1.11 -1.25 -4.84 119.66 118.69 1pls s GLN 77 Ca 0.00 0.50 -0.20 0.00 0.01 0.00 0.00 55.36 55.67 1pls s GLN 77 Cb 0.00 -3.66 -0.06 0.00 -1.01 0.00 0.00 33.01 28.28 1pls s GLN 77 CO 0.00 -0.44 0.57 0.34 0.01 0.00 0.00 175.29 175.77 1pls s ASP 78 N 1.50 6.97 -0.35 5.90 -1.08 -1.26 -1.11 116.67 127.24 1pls s ASP 78 Ca 0.26 1.15 0.01 0.00 -0.52 0.00 0.00 52.55 53.44 1pls s ASP 78 Cb -0.15 -2.35 0.11 0.00 -1.46 0.00 0.00 42.92 39.06 1pls s ASP 78 CO 0.09 0.14 0.13 -1.00 0.52 0.00 0.00 175.17 175.05 1pls s HIS 79 N -0.37 2.01 -0.25 -5.34 3.76 -0.54 -4.91 115.29 109.65 1pls s HIS 79 Ca 0.30 -2.07 -0.20 0.00 -0.15 0.00 0.00 55.06 52.94 1pls s HIS 79 Cb -0.18 -1.90 -0.02 0.00 1.11 0.00 0.00 32.58 31.59 1pls s HIS 79 CO 0.17 -0.86 0.60 -0.06 -0.85 0.00 0.00 174.74 173.74 1pls s PHE 80 N 1.18 3.29 -0.06 1.40 0.40 -1.26 -1.76 117.98 121.17 1pls s PHE 80 Ca 0.12 0.79 -0.15 0.00 -0.60 0.00 0.00 56.93 57.10 1pls s PHE 80 Cb -0.20 -2.81 0.03 0.00 0.51 0.00 0.00 43.02 40.56 1pls s PHE 80 CO -0.16 -0.29 0.35 -0.59 0.70 0.00 0.00 175.22 175.22 1pls s PHE 81 N 2.38 -0.28 0.05 0.36 -0.12 -0.92 -1.04 117.98 118.40 1pls s PHE 81 Ca 0.25 0.57 0.07 0.00 -0.05 0.00 0.00 56.93 57.77 1pls s PHE 81 Cb -0.16 0.13 -0.03 0.00 -0.63 0.00 0.00 43.02 42.33 1pls s PHE 81 CO 0.09 -0.33 -0.19 1.14 -0.05 0.00 0.00 175.22 175.88 1pls s GLN 82 N -0.77 2.01 0.00 1.99 -2.07 -0.36 -2.29 119.66 118.16 1pls s GLN 82 Ca -0.09 -1.02 0.00 0.00 -1.82 0.00 0.00 55.36 52.43 1pls s GLN 82 Cb -0.04 -2.16 0.00 0.00 -1.09 0.00 0.00 33.01 29.72 1pls s GLN 82 CO 0.03 0.53 0.00 0.00 -1.32 0.00 0.00 175.29 174.53 1pls n ALA 83 N 1.47 0.00 -1.00 2.60 0.00 -0.97 -2.57 120.51 120.04 1pls n ALA 83 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1pls n ALA 83 Cb 0.52 0.00 0.00 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 0.00 -2.01 0.00 0.00 -1.26 -4.76 120.51 109.47 1pls n ALA 84 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1pls n ALA 84 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 1pls n ALA 84 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1pls s PHE 85 N 0.00 2.01 0.17 0.00 0.08 -1.26 -4.57 117.98 114.42 1pls s PHE 85 Ca 0.00 -0.47 -0.11 0.00 0.12 0.00 0.00 56.93 56.48 1pls s PHE 85 Cb 0.00 -2.46 0.06 0.00 -0.57 0.00 0.00 43.02 40.05 1pls s PHE 85 CO 0.00 -1.01 1.66 1.25 -0.10 0.00 0.00 175.22 177.02 1pls h LEU 86 N 0.17 0.94 0.23 -0.37 6.46 -1.99 -0.71 115.31 120.04 1pls h LEU 86 Ca -0.35 -0.26 -0.01 0.00 -0.12 0.00 0.00 57.88 57.14 1pls h LEU 86 Cb 1.28 -0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 40.96 1pls h LEU 86 CO 0.43 0.96 -0.15 -0.08 -0.62 0.00 0.00 178.44 178.98 1pls h GLU 87 N 0.88 -0.35 -0.63 1.25 4.81 -2.00 -1.63 114.58 116.92 1pls h GLU 87 Ca 0.18 0.02 0.15 0.00 -0.13 0.00 0.00 59.36 59.59 1pls h GLU 87 Cb 0.42 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 1pls h GLU 87 CO 0.01 -0.23 0.44 1.49 -0.73 0.00 0.00 179.01 179.99 1pls h GLU 88 N -0.36 0.17 0.44 1.92 4.81 -1.96 -1.74 114.58 117.86 1pls h GLU 88 Ca -0.03 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1pls h GLU 88 Cb 0.29 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1pls h GLU 88 CO 0.02 0.11 -0.24 -0.09 -0.73 0.00 0.00 179.01 178.08 1pls h ARG 89 N 0.17 -0.60 -0.04 1.92 1.12 -0.62 -0.71 114.38 115.61 1pls h ARG 89 Ca 0.30 0.04 0.01 0.00 -1.11 0.00 0.00 59.98 59.23 1pls h ARG 89 Cb 0.96 0.14 -0.00 0.00 -0.01 0.00 0.00 29.97 31.05 1pls h ARG 89 CO -0.05 -0.40 0.07 -0.44 -3.11 0.00 0.00 179.97 176.04 1pls h ASP 90 N -0.63 0.00 0.48 -3.80 5.19 -0.99 -0.14 116.42 116.53 1pls h ASP 90 Ca -0.06 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.20 1pls h ASP 90 Cb 0.49 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.99 1pls h ASP 90 CO 0.08 0.00 -0.66 0.00 -3.12 0.00 0.00 179.24 175.54 1pls h ALA 91 N 1.91 0.82 0.21 3.45 0.00 -0.79 0.48 119.26 125.33 1pls h ALA 91 Ca 0.02 -0.59 -0.34 0.00 0.00 0.00 0.00 54.91 54.01 1pls h ALA 91 Cb 0.16 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.88 1pls h ALA 91 CO -0.00 0.78 -1.58 -1.49 0.00 0.00 0.00 179.25 176.97 1pls h TRP 92 N 0.11 0.79 0.00 0.00 4.06 0.46 -2.57 115.95 118.81 1pls h TRP 92 Ca -0.01 -0.58 -0.04 0.00 2.06 0.00 0.00 58.89 60.33 1pls h TRP 92 Cb 1.18 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 29.31 1pls h TRP 92 CO 0.02 1.57 -0.17 -0.39 -3.56 0.00 0.00 178.44 175.91 1pls h VAL 93 N 0.12 0.31 0.00 1.49 -1.51 -1.35 -1.67 116.25 113.65 1pls h VAL 93 Ca -0.28 -1.28 -0.24 0.00 -1.23 0.00 0.00 66.70 63.68 1pls h VAL 93 Cb 2.11 2.01 -0.04 0.00 -2.13 0.00 0.00 31.29 33.25 1pls h VAL 93 CO 0.22 0.16 -1.32 0.08 -1.23 0.00 0.00 177.57 175.48 1pls h ARG 94 N 0.00 0.00 0.19 5.19 0.11 -0.97 -2.56 114.38 116.34 1pls h ARG 94 Ca -0.00 0.00 -0.34 0.00 0.10 0.00 0.00 59.98 59.73 1pls h ARG 94 Cb 1.00 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.09 1pls h ARG 94 CO 0.02 0.69 -1.68 -0.44 0.10 0.00 0.00 179.97 178.67 1pls h ASP 95 N 0.00 0.63 0.28 0.08 5.19 -1.42 -1.06 116.42 120.12 1pls h ASP 95 Ca -0.14 -0.87 -0.17 0.00 -0.62 0.00 0.00 57.03 55.22 1pls h ASP 95 Cb 1.85 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 41.15 1pls h ASP 95 CO 0.10 1.73 -0.67 0.40 -3.12 0.00 0.00 179.24 177.67 1pls h ILE 96 N 0.11 1.38 0.00 0.35 2.04 -1.44 -1.91 117.51 118.04 1pls h ILE 96 Ca -0.32 -2.08 -0.19 0.00 1.00 0.00 0.00 64.86 63.28 1pls h ILE 96 Cb 2.10 2.06 -0.03 0.00 -0.74 0.00 0.00 36.82 40.21 1pls h ILE 96 CO 0.19 0.62 -0.94 -1.13 0.00 0.00 0.00 178.15 176.89 1pls h ASN 97 N 0.25 0.00 0.16 1.72 -0.00 -1.56 -2.66 115.58 113.49 1pls h ASN 97 Ca -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.27 1pls h ASN 97 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.55 1pls h ASN 97 CO 0.11 0.89 -0.08 0.50 -0.00 0.00 0.00 177.43 178.86 1pls h LYS 98 N 0.00 -0.21 -0.95 6.67 3.11 -1.08 -0.29 116.57 123.82 1pls h LYS 98 Ca -0.03 0.01 0.03 0.00 -2.81 0.00 0.00 60.65 57.86 1pls h LYS 98 Cb 1.70 0.05 -0.05 0.00 -1.00 0.00 0.00 32.23 32.93 1pls h LYS 98 CO 0.11 0.20 0.62 0.00 -2.81 0.00 0.00 179.45 177.58 1pls h ALA 99 N -0.07 1.24 -0.26 5.00 0.00 -1.46 -0.28 119.26 123.43 1pls h ALA 99 Ca -0.02 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1pls h ALA 99 Cb 0.51 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1pls h ALA 99 CO 0.04 0.52 -0.11 0.82 0.00 0.00 0.00 179.25 180.51 1pls h ILE 100 N 1.22 1.21 0.00 0.00 2.04 -1.44 -0.45 117.51 120.08 1pls h ILE 100 Ca 0.37 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 65.30 1pls h ILE 100 Cb -0.04 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1pls h ILE 100 CO -0.11 0.30 0.00 1.17 0.00 0.00 0.00 178.15 179.51 1pls n LYS 101 N -4.23 0.05 -0.06 2.37 4.81 -0.13 -3.12 118.16 117.86 1pls n LYS 101 Ca 0.00 0.05 -0.12 0.00 -0.87 0.00 0.00 58.31 57.37 1pls n LYS 101 Cb 0.30 -1.50 -0.15 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 0.01 1.27 0.00 0.00 1.08 -1.16 0.92 117.51 119.63 1pls h ILE 103 Ca -0.44 -1.33 0.00 0.00 -0.39 0.00 0.00 64.86 62.70 1pls h ILE 103 Cb 2.09 1.46 0.00 0.00 -3.07 0.00 0.00 36.82 37.31 1pls h ILE 103 CO 0.04 0.41 0.00 -0.62 -0.69 0.00 0.00 178.15 177.29 1pls n GLU 104 N -4.10 0.59 -0.56 2.37 1.02 -1.19 -3.01 120.64 115.77 1pls n GLU 104 Ca -0.01 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1pls n GLU 104 Cb 0.43 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 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 0.55 0.62 2.39 0.62 0.00 -0.54 -4.92 105.19 103.91 1pls n GLY 105 Ca 0.15 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 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 0.03 7.05 0.00 0.99 0.00 0.31 -4.92 117.00 120.45 1pls n LEU 106 Ca -0.00 -4.23 -0.01 0.00 0.00 0.00 0.00 56.01 51.77 1pls n LEU 106 Cb 0.69 -1.34 0.01 0.00 0.00 0.00 0.00 43.42 42.78 1pls n LEU 106 CO -0.00 1.87 0.04 -0.62 0.00 0.00 0.00 177.39 178.68 1pls n GLU 107 N 1.70 0.20 0.00 1.96 1.02 -1.26 -5.02 120.64 119.24 1pls n GLU 107 Ca 0.56 -0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.58 1pls n GLU 107 Cb 0.48 -0.05 0.00 0.00 -0.02 0.00 0.00 31.44 31.84 1pls n GLU 107 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1pls n HIS 108 N -1.83 0.00 -1.69 -0.32 -0.00 -1.26 -5.13 115.22 104.99 1pls n HIS 108 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.73 1pls n HIS 108 Cb 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.02 1pls n HIS 108 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1pls n HIS 109 N -2.16 -4.00 -0.05 1.57 -0.00 -1.26 -5.00 115.22 104.32 1pls n HIS 109 Ca 0.00 2.32 -0.04 0.00 -0.00 0.00 0.00 57.72 60.00 1pls n HIS 109 Cb 0.41 -3.35 -0.01 0.00 -0.00 0.00 0.00 29.99 27.04 1pls n HIS 109 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1pls n HIS 110 N 1.19 0.18 -3.01 4.41 -0.00 -1.26 -4.81 115.22 111.92 1pls n HIS 110 Ca 0.00 0.08 -0.20 0.00 0.46 0.00 0.00 57.72 58.05 1pls n HIS 110 Cb 0.00 -0.38 -0.03 0.00 -0.12 0.00 0.00 29.99 29.46 1pls n HIS 110 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 1pls n HIS 111 N -3.66 1.72 -0.01 1.57 -0.00 -1.26 -4.88 115.22 108.69 1pls n HIS 111 Ca -0.07 -3.73 -0.05 0.00 -0.00 0.00 0.00 57.72 53.88 1pls n HIS 111 Cb 0.26 -0.42 -0.02 0.00 -0.00 0.00 0.00 29.99 29.82 1pls n HIS 111 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1pls n HIS 112 N 0.03 0.00 -1.65 -1.40 -0.00 -1.26 -5.33 115.22 105.60 1pls n HIS 112 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.98 1pls n HIS 112 Cb 0.59 -0.23 0.00 0.00 -0.00 0.00 0.00 29.99 30.35 1pls n HIS 112 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92