#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c8p s ILE 2 N 0.00 4.72 -0.04 2.02 2.07 -1.26 -5.01 121.20 123.70 1c8p s ILE 2 Ca 0.00 0.82 0.02 0.00 -1.41 0.00 0.00 60.65 60.09 1c8p s ILE 2 Cb 0.00 -3.84 -0.04 0.00 0.13 0.00 0.00 42.46 38.71 1c8p s ILE 2 CO 0.00 -1.03 -0.00 0.00 -1.91 0.00 0.00 174.94 172.00 1c8p n GLN 3 N -2.48 2.42 -4.09 3.50 10.64 -1.26 -5.08 117.38 121.04 1c8p n GLN 3 Ca 0.05 0.01 -0.26 0.00 -1.83 0.00 0.00 57.00 54.97 1c8p n GLN 3 Cb 0.54 -1.09 -0.05 0.00 -0.86 0.00 0.00 30.24 28.79 1c8p n GLN 3 CO 0.00 0.00 0.00 -0.12 -1.83 0.00 0.00 177.06 175.11 1c8p n MET 4 N -2.28 0.94 -3.55 2.61 1.56 -1.26 -5.15 117.12 109.98 1c8p n MET 4 Ca -0.06 -3.06 -0.12 0.00 -0.27 0.00 0.00 57.70 54.19 1c8p n MET 4 Cb 0.60 0.73 -0.11 0.00 2.15 0.00 0.00 33.22 36.59 1c8p n MET 4 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1c8p s ALA 5 N -2.72 -0.77 0.24 -5.12 0.00 -1.26 -4.94 121.76 107.20 1c8p s ALA 5 Ca 0.05 0.93 -0.31 0.00 0.00 0.00 0.00 51.96 52.63 1c8p s ALA 5 Cb -0.00 -1.30 -0.13 0.00 0.00 0.00 0.00 23.12 21.68 1c8p s ALA 5 CO 0.03 -0.92 1.40 -2.30 0.00 0.00 0.00 175.76 173.98 1c8p n PRO 6 N 5.36 2.05 0.00 0.00 -0.02 -1.26 -4.97 135.00 136.15 1c8p n PRO 6 Ca -0.06 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1c8p n PRO 6 Cb 0.50 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 1c8p n PRO 6 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1c8p n PRO 7 N 1.97 -0.47 -3.36 0.52 -0.04 -1.26 -4.93 135.00 127.43 1c8p n PRO 7 Ca 0.11 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 63.12 1c8p n PRO 7 Cb 0.32 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.73 1c8p n PRO 7 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1c8p s SER 8 N -2.00 6.22 0.28 3.54 0.15 -1.25 -4.77 113.70 115.88 1c8p s SER 8 Ca 0.00 -2.05 -0.25 0.00 0.70 0.00 0.00 55.95 54.35 1c8p s SER 8 Cb 0.00 -2.17 -0.09 0.00 -1.71 0.00 0.00 66.02 62.05 1c8p s SER 8 CO 0.00 -0.76 0.89 -0.22 1.20 0.00 0.00 173.24 174.35 1c8p s LEU 9 N 1.19 4.39 -0.27 3.45 0.20 -1.26 -4.01 118.68 122.36 1c8p s LEU 9 Ca 0.07 1.75 -0.23 0.00 0.69 0.00 0.00 54.13 56.42 1c8p s LEU 9 Cb -0.25 -3.85 0.07 0.00 -0.43 0.00 0.00 46.19 41.74 1c8p s LEU 9 CO -0.00 -0.01 0.72 0.54 -0.29 0.00 0.00 176.35 177.31 1c8p s ASN 10 N -1.55 -0.79 -0.04 3.68 4.22 -1.08 -4.95 114.94 114.42 1c8p s ASN 10 Ca 0.47 1.45 -0.19 0.00 -2.14 0.00 0.00 52.86 52.45 1c8p s ASN 10 Cb -0.19 1.44 -0.05 0.00 1.28 0.00 0.00 41.25 43.72 1c8p s ASN 10 CO 0.24 -0.24 0.54 -0.69 -2.04 0.00 0.00 177.10 174.91 1c8p s VAL 11 N 0.70 5.01 -0.11 3.54 1.01 -1.26 0.31 120.40 129.60 1c8p s VAL 11 Ca -0.03 1.11 -0.01 0.00 0.00 0.00 0.00 61.98 63.06 1c8p s VAL 11 Cb -0.05 -3.87 0.03 0.00 0.00 0.00 0.00 36.38 32.48 1c8p s VAL 11 CO -0.05 0.41 -0.07 0.42 0.00 0.00 0.00 175.10 175.82 1c8p s THR 12 N -0.06 0.97 0.06 3.92 -4.23 -0.29 -4.97 115.64 111.04 1c8p s THR 12 Ca 0.29 -0.28 0.03 0.00 -1.18 0.00 0.00 61.69 60.54 1c8p s THR 12 Cb -0.17 -1.02 -0.04 0.00 1.34 0.00 0.00 72.50 72.61 1c8p s THR 12 CO 0.15 0.33 0.05 -0.75 -0.54 0.00 0.00 174.62 173.86 1c8p s LYS 13 N 1.73 2.84 -0.43 3.99 2.20 -1.26 -2.65 119.74 126.16 1c8p s LYS 13 Ca 0.05 -0.67 0.08 0.00 -0.36 0.00 0.00 55.97 55.06 1c8p s LYS 13 Cb -0.13 -2.71 0.34 0.00 -1.51 0.00 0.00 37.83 33.83 1c8p s LYS 13 CO -0.08 0.58 1.04 -0.25 -0.36 0.00 0.00 175.35 176.29 1c8p n ASP 14 N 0.72 -1.40 0.00 1.43 8.00 -1.23 -5.06 116.55 119.01 1c8p n ASP 14 Ca -0.10 -3.38 0.00 0.00 0.71 0.00 0.00 54.79 52.02 1c8p n ASP 14 Cb 0.52 1.14 0.00 0.00 -0.02 0.00 0.00 41.12 42.76 1c8p n ASP 14 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1c8p n GLY 15 N 0.23 1.49 0.93 0.44 0.00 -1.26 -4.73 105.19 102.29 1c8p n GLY 15 Ca 0.10 -0.54 0.01 0.00 0.00 0.00 0.00 46.02 45.59 1c8p n GLY 15 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1c8p n ASP 16 N 0.00 0.27 -3.80 1.61 9.92 -1.26 -5.08 116.55 118.21 1c8p n ASP 16 Ca 0.00 -1.89 -0.14 0.00 -0.53 0.00 0.00 54.79 52.23 1c8p n ASP 16 Cb 0.00 -0.16 -0.15 0.00 -0.64 0.00 0.00 41.12 40.17 1c8p n ASP 16 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1c8p s SER 17 N -1.27 0.02 0.02 -2.24 0.01 -1.26 -5.15 113.70 103.82 1c8p s SER 17 Ca 0.13 0.07 0.02 0.00 1.31 0.00 0.00 55.95 57.49 1c8p s SER 17 Cb 0.15 0.00 -0.04 0.00 0.21 0.00 0.00 66.02 66.34 1c8p s SER 17 CO -0.06 -0.09 -0.01 -0.31 0.41 0.00 0.00 173.24 173.18 1c8p s TYR 18 N 0.71 3.04 -0.11 2.43 1.51 -1.26 -3.55 117.35 120.12 1c8p s TYR 18 Ca -0.06 0.05 -0.12 0.00 -1.01 0.00 0.00 57.07 55.93 1c8p s TYR 18 Cb -0.08 -1.64 0.03 0.00 -0.11 0.00 0.00 41.96 40.16 1c8p s TYR 18 CO -0.02 0.46 0.33 0.45 -1.11 0.00 0.00 175.55 175.65 1c8p s SER 19 N -1.71 -0.33 0.14 2.29 0.15 -1.08 -2.23 113.70 110.93 1c8p s SER 19 Ca 0.21 0.60 -0.17 0.00 0.70 0.00 0.00 55.95 57.29 1c8p s SER 19 Cb -0.12 0.64 -0.07 0.00 -1.71 0.00 0.00 66.02 64.76 1c8p s SER 19 CO 0.12 -0.15 0.59 -0.76 1.20 0.00 0.00 173.24 174.24 1c8p s LEU 20 N 0.02 4.41 -0.30 3.45 1.43 -1.26 -1.13 118.68 125.30 1c8p s LEU 20 Ca -0.01 1.22 0.02 0.00 -1.03 0.00 0.00 54.13 54.32 1c8p s LEU 20 Cb -0.03 -3.21 0.07 0.00 0.03 0.00 0.00 46.19 43.06 1c8p s LEU 20 CO 0.01 0.15 -0.03 -0.60 0.23 0.00 0.00 176.35 176.11 1c8p s ARG 21 N -1.66 2.06 -0.12 1.70 3.52 0.15 -3.47 118.95 121.12 1c8p s ARG 21 Ca 0.36 -1.50 0.02 0.00 -0.13 0.00 0.00 55.73 54.48 1c8p s ARG 21 Cb -0.17 -3.07 0.01 0.00 -1.56 0.00 0.00 34.95 30.16 1c8p s ARG 21 CO 0.20 -0.71 -0.19 1.67 -0.81 0.00 0.00 175.30 175.46 1c8p s TRP 22 N 1.08 2.31 -0.05 5.12 -2.14 0.29 -2.63 118.94 122.91 1c8p s TRP 22 Ca -0.02 -1.10 -0.01 0.00 2.66 0.00 0.00 56.10 57.63 1c8p s TRP 22 Cb -0.20 -1.60 0.03 0.00 -3.10 0.00 0.00 33.47 28.59 1c8p s TRP 22 CO -0.05 -0.52 0.01 -1.21 -2.66 0.00 0.00 176.95 172.52 1c8p s GLU 23 N 0.83 0.35 0.85 3.25 2.02 -1.26 -4.40 118.70 120.35 1c8p s GLU 23 Ca -0.08 0.14 -0.08 0.00 0.02 0.00 0.00 54.97 54.97 1c8p s GLU 23 Cb -0.16 -0.67 0.18 0.00 0.10 0.00 0.00 34.13 33.59 1c8p s GLU 23 CO -0.00 -0.22 1.17 0.95 0.02 0.00 0.00 175.26 177.17 1c8p s THR 24 N 1.55 2.02 0.00 3.63 -4.23 -1.26 -3.79 115.64 113.55 1c8p s THR 24 Ca -0.02 -0.34 0.00 0.00 -1.18 0.00 0.00 61.69 60.14 1c8p s THR 24 Cb -0.13 -2.67 0.00 0.00 1.34 0.00 0.00 72.50 71.04 1c8p s THR 24 CO -0.03 0.00 0.00 0.23 -0.54 0.00 0.00 174.62 174.28 1c8p n MET 25 N -3.32 0.00 0.00 3.99 2.81 -1.26 -5.01 117.12 114.33 1c8p n MET 25 Ca 0.17 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.06 1c8p n MET 25 Cb 0.60 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.11 1c8p n MET 25 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1c8p n LYS 26 N 0.00 3.64 -0.13 0.03 0.00 -1.26 -4.73 118.16 115.72 1c8p n LYS 26 Ca 0.00 -0.15 -0.21 0.00 -0.00 0.00 0.00 58.31 57.95 1c8p n LYS 26 Cb 0.00 -0.60 -0.11 0.00 -0.00 0.00 0.00 35.03 34.32 1c8p n LYS 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1c8p n MET 27 N -0.56 0.62 -2.74 -1.58 0.00 -1.26 -4.96 117.12 106.63 1c8p n MET 27 Ca 0.00 0.18 -0.18 0.00 0.00 0.00 0.00 57.70 57.71 1c8p n MET 27 Cb 0.01 -1.49 -0.03 0.00 0.00 0.00 0.00 33.22 31.71 1c8p n MET 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1c8p n ARG 28 N -3.56 -0.93 0.00 3.17 1.74 -1.26 -4.82 116.66 111.01 1c8p n ARG 28 Ca -0.48 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 56.66 1c8p n ARG 28 Cb 0.95 -2.03 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 1c8p n ARG 28 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1c8p n TYR 29 N -1.98 0.00 0.00 -1.55 4.01 -1.26 -5.01 117.16 111.36 1c8p n TYR 29 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 1c8p n TYR 29 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 1c8p n TYR 29 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 1c8p n GLU 30 N -0.05 0.00 0.00 -0.72 4.07 -1.26 -5.11 120.64 117.57 1c8p n GLU 30 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1c8p n GLU 30 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1c8p n GLU 30 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 1c8p n HIS 31 N -2.17 0.00 -1.56 4.31 8.25 -1.26 -5.15 115.22 117.64 1c8p n HIS 31 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1c8p n HIS 31 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1c8p n HIS 31 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1c8p n ILE 32 N -0.38 -2.94 -0.01 1.59 5.41 -1.26 -4.83 119.36 116.93 1c8p n ILE 32 Ca 0.00 1.44 -0.11 0.00 1.00 0.00 0.00 62.75 65.08 1c8p n ILE 32 Cb 0.00 -2.32 -0.14 0.00 -0.71 0.00 0.00 39.64 36.47 1c8p n ILE 32 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 1c8p h ASP 33 N 0.34 0.08 -5.83 4.38 3.58 -1.75 -3.49 116.42 113.73 1c8p h ASP 33 Ca 0.00 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.27 1c8p h ASP 33 Cb 0.77 -0.03 -0.04 0.00 1.72 0.00 0.00 39.33 41.76 1c8p h ASP 33 CO 0.00 1.17 -0.51 1.41 -2.88 0.00 0.00 179.24 178.43 1c8p n HIS 34 N -3.14 -1.35 -2.06 0.28 8.25 -1.26 -4.14 115.22 111.81 1c8p n HIS 34 Ca -0.19 0.78 -0.29 0.00 -0.26 0.00 0.00 57.72 57.76 1c8p n HIS 34 Cb 1.05 -1.88 0.18 0.00 1.12 0.00 0.00 29.99 30.46 1c8p n HIS 34 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1c8p s THR 35 N -0.24 2.02 -0.14 1.59 -4.23 -1.22 -3.29 115.64 110.13 1c8p s THR 35 Ca -0.08 -0.11 -0.06 0.00 -1.18 0.00 0.00 61.69 60.25 1c8p s THR 35 Cb 0.01 -2.91 0.06 0.00 1.34 0.00 0.00 72.50 71.00 1c8p s THR 35 CO 0.24 0.00 0.32 -0.36 -0.54 0.00 0.00 174.62 174.27 1c8p s PHE 36 N -3.77 -0.49 -0.51 3.99 0.08 -0.03 -2.66 117.98 114.59 1c8p s PHE 36 Ca 0.73 1.07 -0.13 0.00 0.12 0.00 0.00 56.93 58.72 1c8p s PHE 36 Cb -0.04 0.12 0.13 0.00 -0.57 0.00 0.00 43.02 42.66 1c8p s PHE 36 CO 0.52 -0.33 0.43 -2.00 -0.10 0.00 0.00 175.22 173.74 1c8p s GLU 37 N 1.80 2.76 0.25 0.44 2.12 0.19 -1.15 118.70 125.12 1c8p s GLU 37 Ca -0.05 -1.75 -0.09 0.00 0.36 0.00 0.00 54.97 53.43 1c8p s GLU 37 Cb -0.11 -4.13 -0.07 0.00 0.26 0.00 0.00 34.13 30.08 1c8p s GLU 37 CO -0.10 -1.27 0.57 0.42 -0.54 0.00 0.00 175.26 174.34 1c8p s ILE 38 N 1.47 4.92 -0.15 -3.70 1.09 0.73 -0.14 121.20 125.41 1c8p s ILE 38 Ca 0.04 0.46 -0.12 0.00 -1.10 0.00 0.00 60.65 59.94 1c8p s ILE 38 Cb -0.28 -3.63 0.05 0.00 -1.06 0.00 0.00 42.46 37.53 1c8p s ILE 38 CO 0.01 -0.12 0.39 -1.58 -0.10 0.00 0.00 174.94 173.54 1c8p s GLN 39 N -2.95 0.42 -0.31 2.79 0.74 -0.83 0.11 119.66 119.63 1c8p s GLN 39 Ca 0.48 0.63 0.02 0.00 0.05 0.00 0.00 55.36 56.53 1c8p s GLN 39 Cb -0.11 0.12 0.09 0.00 1.10 0.00 0.00 33.01 34.21 1c8p s GLN 39 CO 0.22 -0.10 0.05 1.52 -0.55 0.00 0.00 175.29 176.44 1c8p s TYR 40 N 0.67 2.81 0.51 1.67 1.13 -1.16 -0.49 117.35 122.49 1c8p s TYR 40 Ca -0.04 -2.35 0.01 0.00 -1.41 0.00 0.00 57.07 53.28 1c8p s TYR 40 Cb -0.05 -2.28 0.02 0.00 -1.10 0.00 0.00 41.96 38.55 1c8p s TYR 40 CO -0.04 -0.90 0.74 0.50 -2.51 0.00 0.00 175.55 173.34 1c8p s ARG 41 N 1.24 2.75 0.27 -3.49 3.52 0.16 -4.07 118.95 119.32 1c8p s ARG 41 Ca 0.08 -0.65 0.05 0.00 -0.13 0.00 0.00 55.73 55.07 1c8p s ARG 41 Cb -0.18 -2.51 -0.06 0.00 -1.56 0.00 0.00 34.95 30.64 1c8p s ARG 41 CO -0.14 -0.54 -0.02 0.15 -0.81 0.00 0.00 175.30 173.94 1c8p s LYS 42 N -4.69 1.48 0.00 5.12 1.02 -1.26 0.18 119.74 121.60 1c8p s LYS 42 Ca 0.54 -1.76 0.23 0.00 0.02 0.00 0.00 55.97 55.00 1c8p s LYS 42 Cb -0.10 -0.89 1.32 0.00 -0.52 0.00 0.00 37.83 37.64 1c8p s LYS 42 CO 0.38 -0.05 1.75 -3.47 -0.92 0.00 0.00 175.35 173.04 1c8p n ASP 43 N -0.53 0.00 -0.01 2.83 2.03 0.55 -2.84 116.55 118.57 1c8p n ASP 43 Ca -0.05 -0.54 0.02 0.00 0.52 0.00 0.00 54.79 54.75 1c8p n ASP 43 Cb 0.64 -0.08 -0.07 0.00 -0.72 0.00 0.00 41.12 40.90 1c8p n ASP 43 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1c8p n THR 44 N -1.08 0.13 -4.20 5.18 5.66 -1.26 -4.97 114.28 113.75 1c8p n THR 44 Ca 0.16 -0.23 -0.11 0.00 -3.05 0.00 0.00 64.05 60.81 1c8p n THR 44 Cb 0.11 0.05 -0.02 0.00 -1.55 0.00 0.00 70.33 68.92 1c8p n THR 44 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1c8p n ALA 45 N -1.92 0.16 -2.52 1.79 0.00 -1.13 -5.17 120.51 111.73 1c8p n ALA 45 Ca -0.04 -0.78 -0.25 0.00 0.00 0.00 0.00 53.44 52.36 1c8p n ALA 45 Cb 0.35 0.42 -0.10 0.00 0.00 0.00 0.00 19.45 20.12 1c8p n ALA 45 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1c8p s THR 46 N -1.56 2.43 0.44 0.00 -4.23 -1.26 -4.35 115.64 107.10 1c8p s THR 46 Ca 0.01 -2.23 0.24 0.00 -1.18 0.00 0.00 61.69 58.53 1c8p s THR 46 Cb -0.00 -2.55 0.44 0.00 1.34 0.00 0.00 72.50 71.73 1c8p s THR 46 CO 0.01 -0.28 1.77 -0.50 -0.54 0.00 0.00 174.62 175.08 1c8p h TRP 47 N 2.08 0.47 -0.72 3.99 4.06 -1.93 0.57 115.95 124.46 1c8p h TRP 47 Ca -0.41 0.02 0.04 0.00 2.06 0.00 0.00 58.89 60.59 1c8p h TRP 47 Cb 1.25 -0.13 -0.04 0.00 -1.00 0.00 0.00 29.16 29.24 1c8p h TRP 47 CO 0.77 0.02 0.48 0.87 -3.56 0.00 0.00 178.44 177.02 1c8p h LYS 48 N 0.26 0.84 0.00 0.49 1.57 -2.01 -1.16 116.57 116.57 1c8p h LYS 48 Ca 0.60 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 59.16 1c8p h LYS 48 Cb 1.78 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.88 1c8p h LYS 48 CO -0.23 0.56 -0.83 0.22 -0.57 0.00 0.00 179.45 178.59 1c8p h ASP 49 N 0.86 0.00 -3.75 0.86 1.82 -0.29 -3.46 116.42 112.47 1c8p h ASP 49 Ca 0.29 0.00 -0.54 0.00 -0.39 0.00 0.00 57.03 56.39 1c8p h ASP 49 Cb 0.08 0.00 0.10 0.00 0.68 0.00 0.00 39.33 40.19 1c8p h ASP 49 CO -0.08 0.83 0.80 -1.20 -1.61 0.00 0.00 179.24 177.98 1c8p n SER 50 N -3.32 3.80 -4.78 2.28 7.64 -0.44 -4.97 113.62 113.83 1c8p n SER 50 Ca 0.01 1.21 -0.38 0.00 1.01 0.00 0.00 58.87 60.72 1c8p n SER 50 Cb 0.87 -1.61 -0.06 0.00 -1.01 0.00 0.00 64.21 62.39 1c8p n SER 50 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1c8p s LYS 51 N -1.71 4.60 -0.40 1.43 1.02 -1.26 -4.85 119.74 118.58 1c8p s LYS 51 Ca 0.56 1.31 -0.12 0.00 0.02 0.00 0.00 55.97 57.73 1c8p s LYS 51 Cb -0.48 -2.91 0.04 0.00 -0.52 0.00 0.00 37.83 33.96 1c8p s LYS 51 CO 0.60 0.35 0.26 0.99 -0.92 0.00 0.00 175.35 176.62 1c8p s THR 52 N -1.51 4.77 0.00 2.17 2.01 -1.26 -2.98 115.64 118.84 1c8p s THR 52 Ca 0.47 -0.92 -0.25 0.00 0.31 0.00 0.00 61.69 61.31 1c8p s THR 52 Cb -0.20 -3.72 -0.05 0.00 0.01 0.00 0.00 72.50 68.55 1c8p s THR 52 CO 0.25 -0.33 0.76 -1.61 -0.69 0.00 0.00 174.62 173.00 1c8p s GLU 53 N 1.58 4.48 -0.92 4.92 0.41 0.31 -4.90 118.70 124.57 1c8p s GLU 53 Ca 0.03 1.03 -0.10 0.00 -0.41 0.00 0.00 54.97 55.52 1c8p s GLU 53 Cb -0.20 -3.40 0.24 0.00 -1.78 0.00 0.00 34.13 28.98 1c8p s GLU 53 CO 0.07 0.18 0.87 0.95 -0.49 0.00 0.00 175.26 176.84 1c8p s THR 54 N 0.33 5.49 -0.52 3.63 -4.23 -1.26 -0.20 115.64 118.87 1c8p s THR 54 Ca 0.39 -2.99 -0.25 0.00 -1.18 0.00 0.00 61.69 57.66 1c8p s THR 54 Cb -0.20 -4.36 0.04 0.00 1.34 0.00 0.00 72.50 69.32 1c8p s THR 54 CO 0.22 -1.08 0.95 -0.76 -0.54 0.00 0.00 174.62 173.41 1c8p s LEU 55 N -0.52 4.03 -0.44 4.79 2.01 -0.30 -4.98 118.68 123.27 1c8p s LEU 55 Ca 0.23 -0.17 -0.28 0.00 0.01 0.00 0.00 54.13 53.92 1c8p s LEU 55 Cb -0.11 -2.97 0.03 0.00 0.01 0.00 0.00 46.19 43.15 1c8p s LEU 55 CO -0.08 -1.19 1.08 -1.58 1.01 0.00 0.00 176.35 175.58 1c8p s GLN 56 N 3.96 3.75 -1.63 1.70 0.74 -1.26 -0.85 119.66 126.07 1c8p s GLN 56 Ca 0.33 0.58 -0.13 0.00 0.05 0.00 0.00 55.36 56.19 1c8p s GLN 56 Cb -0.11 -3.88 0.11 0.00 1.10 0.00 0.00 33.01 30.23 1c8p s GLN 56 CO 0.22 -1.25 0.62 0.09 -0.55 0.00 0.00 175.29 174.42 1c8p n ASN 57 N 7.50 -2.10 -4.65 6.67 5.03 -1.21 -4.95 115.26 121.55 1c8p n ASN 57 Ca 0.11 -1.05 -0.24 0.00 0.87 0.00 0.00 54.58 54.26 1c8p n ASN 57 Cb 0.49 -2.65 -0.08 0.00 -1.02 0.00 0.00 39.78 36.51 1c8p n ASN 57 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1c8p s ALA 58 N -3.55 3.27 -0.19 5.41 0.00 -1.26 -5.05 121.76 120.40 1c8p s ALA 58 Ca 0.50 -1.95 0.04 0.00 0.00 0.00 0.00 51.96 50.56 1c8p s ALA 58 Cb -0.28 -0.43 0.09 0.00 0.00 0.00 0.00 23.12 22.50 1c8p s ALA 58 CO 0.93 0.05 1.07 0.72 0.00 0.00 0.00 175.76 178.53 1c8p n HIS 59 N -1.00 0.11 0.00 0.00 8.25 -1.26 -4.86 115.22 116.46 1c8p n HIS 59 Ca -0.04 -0.55 0.00 0.00 -0.26 0.00 0.00 57.72 56.87 1c8p n HIS 59 Cb 0.62 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.67 1c8p n HIS 59 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1c8p n SER 60 N -0.40 0.00 0.00 0.41 3.41 -1.26 -0.55 113.62 115.24 1c8p n SER 60 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1c8p n SER 60 Cb 0.33 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 1c8p n SER 60 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 1c8p n MET 61 N -0.06 1.19 -3.32 4.33 3.85 -1.23 -4.99 117.12 116.90 1c8p n MET 61 Ca 0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 57.70 56.45 1c8p n MET 61 Cb 0.00 0.00 -0.09 0.00 -1.05 0.00 0.00 33.22 32.08 1c8p n MET 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1c8p n ALA 62 N -3.00 2.36 -1.44 3.17 0.00 -1.26 -4.32 120.51 116.03 1c8p n ALA 62 Ca 0.00 -2.89 -0.39 0.00 0.00 0.00 0.00 53.44 50.17 1c8p n ALA 62 Cb 0.00 -0.83 -0.15 0.00 0.00 0.00 0.00 19.45 18.48 1c8p n ALA 62 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1c8p n LEU 63 N 2.84 0.22 -0.07 0.00 4.77 -0.95 -4.78 117.00 119.03 1c8p n LEU 63 Ca 0.29 0.15 -0.21 0.00 -0.03 0.00 0.00 56.01 56.20 1c8p n LEU 63 Cb 0.49 -0.87 -0.12 0.00 -2.33 0.00 0.00 43.42 40.59 1c8p n LEU 63 CO 0.07 -0.71 -0.54 1.55 -1.33 0.00 0.00 177.39 176.43 1c8p h PRO 64 N 11.46 0.08 -4.61 3.23 0.13 -1.98 -3.42 132.00 136.88 1c8p h PRO 64 Ca -0.05 -0.13 -0.73 0.00 -0.87 0.00 0.00 66.00 64.23 1c8p h PRO 64 Cb 1.25 0.05 -0.14 0.00 0.13 0.00 0.00 31.00 32.29 1c8p h PRO 64 CO 1.34 1.06 1.88 0.00 -0.23 0.00 0.00 178.00 182.05 1c8p n ALA 65 N -3.26 4.33 -2.51 -0.56 0.00 -1.26 -4.94 120.51 112.30 1c8p n ALA 65 Ca -0.31 -4.14 -0.24 0.00 0.00 0.00 0.00 53.44 48.75 1c8p n ALA 65 Cb 0.77 -3.21 -0.11 0.00 0.00 0.00 0.00 19.45 16.91 1c8p n ALA 65 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1c8p s LEU 66 N 1.79 2.45 0.04 0.00 1.43 -1.26 -5.06 118.68 118.07 1c8p s LEU 66 Ca 0.45 -1.36 -0.02 0.00 -1.03 0.00 0.00 54.13 52.17 1c8p s LEU 66 Cb 0.03 -0.59 -0.03 0.00 0.03 0.00 0.00 46.19 45.64 1c8p s LEU 66 CO 0.01 -0.53 -0.00 -1.83 0.23 0.00 0.00 176.35 174.23 1c8p s GLU 67 N -3.81 0.52 0.31 1.70 -1.05 -1.26 -5.16 118.70 109.95 1c8p s GLU 67 Ca 0.36 -0.96 -0.17 0.00 -0.15 0.00 0.00 54.97 54.05 1c8p s GLU 67 Cb 0.09 0.19 -0.09 0.00 -0.44 0.00 0.00 34.13 33.88 1c8p s GLU 67 CO 0.16 -0.10 0.76 -1.25 0.95 0.00 0.00 175.26 175.78 1c8p s PRO 68 N -2.99 4.10 -0.54 -4.83 0.04 -1.26 -4.29 135.00 125.23 1c8p s PRO 68 Ca -0.02 0.78 -0.00 0.00 0.04 0.00 0.00 61.00 61.80 1c8p s PRO 68 Cb 0.01 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 32.03 1c8p s PRO 68 CO -0.07 0.20 0.45 0.43 0.04 0.00 0.00 177.00 178.05 1c8p n SER 69 N -0.11 -2.07 -3.63 6.66 7.64 -0.55 -4.98 113.62 116.58 1c8p n SER 69 Ca 0.02 -0.28 -0.11 0.00 1.01 0.00 0.00 58.87 59.52 1c8p n SER 69 Cb 0.53 -2.57 -0.07 0.00 -1.01 0.00 0.00 64.21 61.09 1c8p n SER 69 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1c8p s THR 70 N -3.16 0.00 0.27 0.44 2.01 -1.26 -5.05 115.64 108.88 1c8p s THR 70 Ca 0.01 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 61.72 1c8p s THR 70 Cb -0.00 -1.00 -0.09 0.00 0.01 0.00 0.00 72.50 71.41 1c8p s THR 70 CO 0.33 0.00 0.96 -0.13 -0.69 0.00 0.00 174.62 175.08 1c8p s ARG 71 N 0.98 4.76 -0.27 4.92 0.52 -1.26 -3.52 118.95 125.08 1c8p s ARG 71 Ca -0.05 1.48 0.03 0.00 -0.52 0.00 0.00 55.73 56.67 1c8p s ARG 71 Cb -0.05 -3.15 0.06 0.00 0.52 0.00 0.00 34.95 32.34 1c8p s ARG 71 CO -0.09 0.42 -0.09 0.71 0.02 0.00 0.00 175.30 176.27 1c8p s TYR 72 N -1.29 3.25 -0.50 -0.53 1.51 -0.39 -0.33 117.35 119.07 1c8p s TYR 72 Ca 0.44 -2.35 -0.16 0.00 -1.01 0.00 0.00 57.07 53.99 1c8p s TYR 72 Cb -0.25 -1.99 0.09 0.00 -0.11 0.00 0.00 41.96 39.70 1c8p s TYR 72 CO 0.31 -0.88 0.43 -1.58 -1.11 0.00 0.00 175.55 172.72 1c8p s TRP 73 N 1.10 3.25 0.48 2.71 0.52 0.49 -1.84 118.94 125.65 1c8p s TRP 73 Ca -0.07 -1.05 0.07 0.00 0.02 0.00 0.00 56.10 55.07 1c8p s TRP 73 Cb -0.20 -3.39 0.01 0.00 -1.15 0.00 0.00 33.47 28.75 1c8p s TRP 73 CO -0.05 -0.87 0.43 0.00 0.02 0.00 0.00 176.95 176.47 1c8p s ALA 74 N 1.63 4.26 0.38 0.98 0.00 -0.86 0.40 121.76 128.56 1c8p s ALA 74 Ca 0.04 -1.69 -0.15 0.00 0.00 0.00 0.00 51.96 50.15 1c8p s ALA 74 Cb -0.26 -0.93 0.05 0.00 0.00 0.00 0.00 23.12 21.98 1c8p s ALA 74 CO 0.05 -0.38 0.77 -0.98 0.00 0.00 0.00 175.76 175.23 1c8p s ARG 75 N -4.24 2.22 -0.21 0.00 1.70 0.36 -2.60 118.95 116.17 1c8p s ARG 75 Ca 0.44 -1.45 -0.16 0.00 -0.47 0.00 0.00 55.73 54.09 1c8p s ARG 75 Cb -0.03 0.62 0.06 0.00 -0.57 0.00 0.00 34.95 35.03 1c8p s ARG 75 CO 0.26 -1.03 0.54 0.54 -1.08 0.00 0.00 175.30 174.53 1c8p s VAL 76 N -2.36 -0.01 -0.16 4.99 0.11 -1.26 -1.97 120.40 119.75 1c8p s VAL 76 Ca 0.16 0.02 -0.05 0.00 -2.93 0.00 0.00 61.98 59.18 1c8p s VAL 76 Cb -0.05 -0.78 -0.03 0.00 -1.53 0.00 0.00 36.38 33.99 1c8p s VAL 76 CO 0.12 0.01 0.01 -0.13 -3.33 0.00 0.00 175.10 171.78 1c8p s ARG 77 N 0.82 3.75 -0.22 1.54 0.52 0.80 -1.67 118.95 124.48 1c8p s ARG 77 Ca -0.04 -0.43 -0.03 0.00 -0.52 0.00 0.00 55.73 54.71 1c8p s ARG 77 Cb -0.05 -3.03 0.01 0.00 0.52 0.00 0.00 34.95 32.39 1c8p s ARG 77 CO -0.07 0.30 -0.07 0.54 0.02 0.00 0.00 175.30 176.02 1c8p s VAL 78 N 0.25 3.04 0.35 3.52 0.11 -1.26 0.54 120.40 126.95 1c8p s VAL 78 Ca 0.00 -0.71 0.02 0.00 -2.93 0.00 0.00 61.98 58.36 1c8p s VAL 78 Cb -0.13 -2.41 -0.02 0.00 -1.53 0.00 0.00 36.38 32.28 1c8p s VAL 78 CO 0.02 0.38 0.54 -0.60 -3.33 0.00 0.00 175.10 172.10 1c8p s ARG 79 N 1.41 3.36 -0.75 1.54 3.52 -1.09 -3.83 118.95 123.11 1c8p s ARG 79 Ca 0.04 -0.49 0.02 0.00 -0.13 0.00 0.00 55.73 55.17 1c8p s ARG 79 Cb -0.15 -2.69 0.35 0.00 -1.56 0.00 0.00 34.95 30.90 1c8p s ARG 79 CO -0.05 0.10 1.47 2.41 -0.81 0.00 0.00 175.30 178.41 1c8p n THR 80 N -1.77 4.07 -0.76 4.11 -1.04 -1.26 -3.39 114.28 114.24 1c8p n THR 80 Ca -0.04 -5.38 -0.41 0.00 -2.04 0.00 0.00 64.05 56.18 1c8p n THR 80 Cb 0.57 -1.40 -0.08 0.00 -1.82 0.00 0.00 70.33 67.59 1c8p n THR 80 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1c8p n SER 81 N -0.28 1.72 0.02 8.00 3.41 -1.26 -4.70 113.62 120.54 1c8p n SER 81 Ca 0.42 -2.55 -0.11 0.00 -0.26 0.00 0.00 58.87 56.37 1c8p n SER 81 Cb 0.36 -0.78 -0.07 0.00 -0.26 0.00 0.00 64.21 63.47 1c8p n SER 81 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1c8p h ARG 82 N 8.90 -0.45 0.00 4.33 3.08 -1.92 -3.16 114.38 125.15 1c8p h ARG 82 Ca 0.32 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.40 1c8p h ARG 82 Cb 0.64 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.79 1c8p h ARG 82 CO 1.95 -0.30 0.00 0.25 -1.07 0.00 0.00 179.97 180.79 1c8p n THR 83 N -4.66 0.00 -0.59 2.04 -2.24 -1.26 -4.40 114.28 103.17 1c8p n THR 83 Ca -0.05 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.82 1c8p n THR 83 Cb 0.29 0.00 0.30 0.00 -2.10 0.00 0.00 70.33 68.82 1c8p n THR 83 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1c8p n GLY 84 N -1.15 2.96 3.92 3.38 0.00 -1.26 -4.98 105.19 108.07 1c8p n GLY 84 Ca 0.00 -0.79 -0.26 0.00 0.00 0.00 0.00 46.02 44.97 1c8p n GLY 84 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1c8p s TYR 85 N -1.81 3.52 -3.54 1.61 6.14 -1.26 -5.07 117.35 116.94 1c8p s TYR 85 Ca 0.44 0.54 0.00 0.00 0.64 0.00 0.00 57.07 58.69 1c8p s TYR 85 Cb 0.29 -2.06 0.00 0.00 0.42 0.00 0.00 41.96 40.61 1c8p s TYR 85 CO 0.21 0.00 0.00 0.09 0.64 0.00 0.00 175.55 176.49 1c8p n ASN 86 N -1.81 0.00 0.00 4.32 5.03 -1.26 -4.79 115.26 116.75 1c8p n ASN 86 Ca -0.03 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.42 1c8p n ASN 86 Cb 0.55 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.31 1c8p n ASN 86 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1c8p n GLY 87 N -0.13 0.73 1.32 7.41 0.00 -1.26 -5.00 105.19 108.26 1c8p n GLY 87 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1c8p n GLY 87 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1c8p n ILE 88 N -2.39 0.00 -3.63 -0.61 -0.00 -1.26 -5.19 119.36 106.28 1c8p n ILE 88 Ca 0.00 -0.57 -0.04 0.00 -0.00 0.00 0.00 62.75 62.14 1c8p n ILE 88 Cb 0.00 0.40 -0.04 0.00 -0.00 0.00 0.00 39.64 40.00 1c8p n ILE 88 CO 0.00 0.00 0.00 0.26 -0.00 0.00 0.00 176.55 176.81 1c8p s TRP 89 N -4.98 -0.12 0.96 4.28 0.52 -1.26 -5.00 118.94 113.34 1c8p s TRP 89 Ca 0.09 0.21 -0.12 0.00 0.02 0.00 0.00 56.10 56.30 1c8p s TRP 89 Cb -0.01 0.48 0.19 0.00 -1.15 0.00 0.00 33.47 32.99 1c8p s TRP 89 CO 0.07 -0.11 0.44 -1.13 0.02 0.00 0.00 176.95 176.24 1c8p n SER 90 N 0.61 -3.05 0.00 2.95 3.41 -1.25 -5.02 113.62 111.28 1c8p n SER 90 Ca -0.03 -0.44 0.00 0.00 -0.26 0.00 0.00 58.87 58.14 1c8p n SER 90 Cb 0.59 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 1c8p n SER 90 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1c8p n GLU 91 N -1.79 0.00 -3.59 4.33 -0.58 -1.26 -4.93 120.64 112.81 1c8p n GLU 91 Ca 0.07 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.84 1c8p n GLU 91 Cb 0.30 -0.12 -0.06 0.00 -0.57 0.00 0.00 31.44 30.99 1c8p n GLU 91 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1c8p s TRP 92 N 0.00 -0.03 0.92 -0.32 0.23 -1.26 -4.87 118.94 113.61 1c8p s TRP 92 Ca 0.00 0.06 -0.12 0.00 -2.03 0.00 0.00 56.10 54.01 1c8p s TRP 92 Cb 0.00 0.02 0.15 0.00 0.03 0.00 0.00 33.47 33.66 1c8p s TRP 92 CO 0.00 -0.01 1.10 -1.54 0.96 0.00 0.00 176.95 177.46 1c8p s SER 93 N 1.13 3.29 0.35 2.95 1.04 -0.67 -4.82 113.70 116.97 1c8p s SER 93 Ca -0.07 1.26 -0.28 0.00 0.48 0.00 0.00 55.95 57.34 1c8p s SER 93 Cb -0.02 -1.93 -0.11 0.00 0.10 0.00 0.00 66.02 64.06 1c8p s SER 93 CO -0.10 -2.73 1.49 -1.84 0.98 0.00 0.00 173.24 171.04 1c8p n GLU 94 N -3.92 2.60 -2.83 4.02 0.00 -1.26 -4.55 120.64 114.70 1c8p n GLU 94 Ca 0.06 0.92 -0.41 0.00 0.00 0.00 0.00 57.16 57.72 1c8p n GLU 94 Cb 0.57 -2.64 -0.04 0.00 0.00 0.00 0.00 31.44 29.33 1c8p n GLU 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1c8p s ALA 95 N -0.86 3.36 -0.08 -1.84 0.00 -1.26 -4.65 121.76 116.43 1c8p s ALA 95 Ca 0.56 0.26 0.05 0.00 0.00 0.00 0.00 51.96 52.83 1c8p s ALA 95 Cb -0.49 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 19.37 1c8p s ALA 95 CO 0.60 -0.42 -0.24 1.03 0.00 0.00 0.00 175.76 176.73 1c8p s ARG 96 N 1.54 2.82 -0.17 0.00 1.81 -1.07 -4.93 118.95 118.94 1c8p s ARG 96 Ca 0.44 -0.89 -0.07 0.00 -1.72 0.00 0.00 55.73 53.49 1c8p s ARG 96 Cb -0.18 -2.24 -0.04 0.00 -0.45 0.00 0.00 34.95 32.04 1c8p s ARG 96 CO 0.19 0.28 0.05 -1.12 -0.68 0.00 0.00 175.30 174.02 1c8p s SER 97 N 0.10 5.58 0.10 0.23 0.01 -1.25 -2.03 113.70 116.44 1c8p s SER 97 Ca -0.12 0.08 0.04 0.00 1.31 0.00 0.00 55.95 57.26 1c8p s SER 97 Cb -0.16 -1.93 -0.04 0.00 0.21 0.00 0.00 66.02 64.10 1c8p s SER 97 CO 0.06 0.19 -0.10 -1.66 0.41 0.00 0.00 173.24 172.14 1c8p s TRP 98 N 0.26 1.07 0.17 2.43 -2.14 -0.76 -4.89 118.94 115.08 1c8p s TRP 98 Ca 0.03 -0.64 -0.16 0.00 2.66 0.00 0.00 56.10 57.99 1c8p s TRP 98 Cb -0.12 -0.59 -0.07 0.00 -3.10 0.00 0.00 33.47 29.59 1c8p s TRP 98 CO 0.00 0.01 0.60 0.16 -2.66 0.00 0.00 176.95 175.06 1c8p s ASP 99 N -2.41 6.89 -0.37 -2.66 1.47 -1.26 -1.26 116.67 117.06 1c8p s ASP 99 Ca 0.05 1.17 0.07 0.00 1.18 0.00 0.00 52.55 55.02 1c8p s ASP 99 Cb -0.03 -2.32 0.63 0.00 -0.34 0.00 0.00 42.92 40.85 1c8p s ASP 99 CO 0.00 0.08 1.75 0.35 0.68 0.00 0.00 175.17 178.03 1c8p n THR 100 N 0.78 2.94 -1.62 2.11 -2.24 -1.23 -4.99 114.28 110.04 1c8p n THR 100 Ca -0.05 -2.12 0.00 0.00 -2.27 0.00 0.00 64.05 59.61 1c8p n THR 100 Cb 0.52 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 1c8p n THR 100 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1c8p n GLU 101 N -0.96 -4.22 0.00 -0.78 -0.58 -1.26 -4.17 120.64 108.67 1c8p n GLU 101 Ca 0.48 3.27 0.09 0.00 -0.42 0.00 0.00 57.16 60.58 1c8p n GLU 101 Cb 1.41 -4.09 0.07 0.00 -0.57 0.00 0.00 31.44 28.26 1c8p n GLU 101 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10