#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ncm n VAL 2 N 0.00 -0.44 -3.71 2.97 0.31 -0.76 0.34 118.33 117.05 3ncm n VAL 2 Ca 0.00 -2.05 -0.37 0.00 -0.01 0.00 0.00 64.34 61.92 3ncm n VAL 2 Cb 0.00 -0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 32.81 3ncm n VAL 2 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 3ncm s MET 3 N 0.44 3.75 -0.37 5.55 -1.94 -0.76 -4.84 119.30 121.14 3ncm s MET 3 Ca 0.32 -0.42 -0.29 0.00 -1.71 0.00 0.00 55.69 53.58 3ncm s MET 3 Cb 0.05 -3.43 0.01 0.00 2.01 0.00 0.00 34.83 33.48 3ncm s MET 3 CO -0.12 -0.18 1.20 -0.06 -0.01 0.00 0.00 175.02 175.85 3ncm s PHE 4 N 1.63 2.83 0.27 -0.03 0.40 -1.26 0.64 117.98 122.46 3ncm s PHE 4 Ca 0.06 0.91 0.05 0.00 -0.60 0.00 0.00 56.93 57.35 3ncm s PHE 4 Cb -0.15 -4.03 -0.06 0.00 0.51 0.00 0.00 43.02 39.29 3ncm s PHE 4 CO 0.06 -1.34 -0.02 -1.59 0.70 0.00 0.00 175.22 173.03 3ncm s LYS 5 N 4.17 1.51 -0.25 0.44 -2.85 0.19 -4.96 119.74 117.99 3ncm s LYS 5 Ca 0.51 -1.78 -0.22 0.00 -1.00 0.00 0.00 55.97 53.49 3ncm s LYS 5 Cb -0.12 -0.96 0.03 0.00 -2.06 0.00 0.00 37.83 34.72 3ncm s LYS 5 CO 0.24 -0.04 0.37 -1.71 0.10 0.00 0.00 175.35 174.31 3ncm n ASN 6 N -0.56 -3.09 -2.99 0.03 5.15 -1.26 -0.95 115.26 111.60 3ncm n ASN 6 Ca -0.05 -0.09 -0.10 0.00 -0.60 0.00 0.00 54.58 53.74 3ncm n ASN 6 Cb 0.64 -0.89 -0.02 0.00 -0.53 0.00 0.00 39.78 38.97 3ncm n ASN 6 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ncm s ALA 7 N -0.81 -1.18 -0.40 5.20 0.00 -1.26 -1.77 121.76 121.54 3ncm s ALA 7 Ca 0.21 -0.90 -0.27 0.00 0.00 0.00 0.00 51.96 51.00 3ncm s ALA 7 Cb -0.02 -2.41 -0.04 0.00 0.00 0.00 0.00 23.12 20.65 3ncm s ALA 7 CO 0.48 -2.17 2.06 -1.25 0.00 0.00 0.00 175.76 174.88 3ncm s PRO 8 N 0.79 2.84 0.06 0.00 0.05 -1.26 -4.90 135.00 132.57 3ncm s PRO 8 Ca 0.29 1.40 -0.19 0.00 0.05 0.00 0.00 61.00 62.55 3ncm s PRO 8 Cb -0.00 -4.37 -0.08 0.00 0.05 0.00 0.00 34.50 30.09 3ncm s PRO 8 CO -0.09 -2.45 1.30 1.79 0.05 0.00 0.00 177.00 177.61 3ncm h THR 9 N 7.12 0.00 -0.97 1.26 1.35 -1.89 -3.30 112.91 116.48 3ncm h THR 9 Ca -0.31 0.00 -0.44 0.00 -0.55 0.00 0.00 66.41 65.10 3ncm h THR 9 Cb 1.21 0.00 -0.07 0.00 -1.73 0.00 0.00 68.15 67.56 3ncm h THR 9 CO 1.08 0.00 1.10 -2.16 -0.25 0.00 0.00 175.52 175.30 3ncm s PRO 10 N -4.50 3.04 0.57 4.72 0.05 -1.24 0.25 135.00 137.88 3ncm s PRO 10 Ca -0.09 -0.63 0.08 0.00 0.05 0.00 0.00 61.00 60.41 3ncm s PRO 10 Cb 0.03 -5.15 0.08 0.00 0.05 0.00 0.00 34.50 29.51 3ncm s PRO 10 CO 0.33 -2.81 0.78 1.14 0.05 0.00 0.00 177.00 176.49 3ncm s GLN 11 N 6.07 2.32 -0.29 4.56 -2.07 0.27 -4.96 119.66 125.55 3ncm s GLN 11 Ca 0.58 -1.51 -0.11 0.00 -1.82 0.00 0.00 55.36 52.50 3ncm s GLN 11 Cb -0.04 -2.63 0.12 0.00 -1.09 0.00 0.00 33.01 29.37 3ncm s GLN 11 CO -0.04 -0.83 0.65 -2.00 -1.32 0.00 0.00 175.29 171.75 3ncm s GLU 12 N -4.67 0.59 0.00 9.60 2.12 -1.26 -1.40 118.70 123.68 3ncm s GLU 12 Ca 0.61 1.42 0.00 0.00 0.36 0.00 0.00 54.97 57.36 3ncm s GLU 12 Cb -0.06 0.77 0.00 0.00 0.26 0.00 0.00 34.13 35.10 3ncm s GLU 12 CO 0.39 -0.19 0.00 1.19 -0.54 0.00 0.00 175.26 176.10 3ncm n PHE 13 N 5.30 -0.56 -4.08 5.30 3.01 -0.30 -4.96 117.46 121.16 3ncm n PHE 13 Ca -0.13 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 57.97 3ncm n PHE 13 Cb 0.50 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.89 3ncm n PHE 13 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 3ncm s LYS 14 N -1.96 3.44 -0.13 -1.08 2.47 -1.26 -4.32 119.74 116.89 3ncm s LYS 14 Ca 0.00 -0.29 -0.29 0.00 -1.56 0.00 0.00 55.97 53.84 3ncm s LYS 14 Cb 0.00 -3.06 -0.06 0.00 -1.46 0.00 0.00 37.83 33.25 3ncm s LYS 14 CO 0.00 0.61 2.08 -2.00 0.16 0.00 0.00 175.35 176.20 3ncm s GLU 15 N -0.58 3.54 0.00 4.03 2.12 -1.03 -1.56 118.70 125.22 3ncm s GLU 15 Ca 0.11 2.19 0.00 0.00 0.36 0.00 0.00 54.97 57.64 3ncm s GLU 15 Cb -0.12 -4.27 0.00 0.00 0.26 0.00 0.00 34.13 30.00 3ncm s GLU 15 CO 0.02 -1.63 0.00 0.41 -0.54 0.00 0.00 175.26 173.52 3ncm n GLY 16 N 5.24 1.05 3.59 -1.50 0.00 0.25 -5.04 105.19 108.79 3ncm n GLY 16 Ca 0.25 -0.30 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 3ncm n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ncm s GLU 17 N -1.01 1.96 -0.75 1.61 2.12 0.13 -4.68 118.70 118.07 3ncm s GLU 17 Ca 0.00 -1.83 -0.26 0.00 0.36 0.00 0.00 54.97 53.23 3ncm s GLU 17 Cb 0.00 -1.83 0.03 0.00 0.26 0.00 0.00 34.13 32.60 3ncm s GLU 17 CO 0.00 0.14 1.27 -0.51 -0.54 0.00 0.00 175.26 175.62 3ncm s ASP 18 N -3.67 6.18 0.40 -1.70 1.11 -1.26 0.38 116.67 118.11 3ncm s ASP 18 Ca 0.34 -0.55 0.06 0.00 0.18 0.00 0.00 52.55 52.58 3ncm s ASP 18 Cb 0.01 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.45 3ncm s ASP 18 CO 0.18 -1.79 0.55 0.00 1.18 0.00 0.00 175.17 175.29 3ncm s ALA 19 N 5.59 4.28 -0.06 5.23 0.00 0.86 -4.89 121.76 132.77 3ncm s ALA 19 Ca 0.35 -1.49 -0.04 0.00 0.00 0.00 0.00 51.96 50.78 3ncm s ALA 19 Cb -0.08 -1.74 0.03 0.00 0.00 0.00 0.00 23.12 21.33 3ncm s ALA 19 CO 0.13 -0.23 0.15 0.08 0.00 0.00 0.00 175.76 175.89 3ncm s VAL 20 N -2.33 -0.03 -0.35 0.00 1.01 -1.26 0.41 120.40 117.86 3ncm s VAL 20 Ca 0.50 0.11 -0.21 0.00 0.00 0.00 0.00 61.98 62.39 3ncm s VAL 20 Cb -0.10 -0.23 0.00 0.00 0.00 0.00 0.00 36.38 36.05 3ncm s VAL 20 CO 0.33 0.05 0.65 -0.63 0.00 0.00 0.00 175.10 175.50 3ncm s ILE 21 N 0.76 4.88 -0.14 2.22 1.01 -0.08 -4.83 121.20 125.01 3ncm s ILE 21 Ca -0.06 0.67 -0.29 0.00 0.00 0.00 0.00 60.65 60.97 3ncm s ILE 21 Cb -0.07 -4.08 -0.02 0.00 0.01 0.00 0.00 42.46 38.30 3ncm s ILE 21 CO -0.04 -0.29 1.27 -0.69 0.00 0.00 0.00 174.94 175.19 3ncm s VAL 22 N 2.73 4.23 -0.38 2.92 1.01 -1.26 -2.34 120.40 127.32 3ncm s VAL 22 Ca 0.25 1.51 0.05 0.00 0.00 0.00 0.00 61.98 63.79 3ncm s VAL 22 Cb -0.14 -3.97 0.18 0.00 0.00 0.00 0.00 36.38 32.45 3ncm s VAL 22 CO 0.14 -0.11 0.68 0.00 0.00 0.00 0.00 175.10 175.82 3ncm s ASP 24 N 2.04 6.96 -0.11 0.00 1.01 -0.12 -4.41 116.67 122.03 3ncm s ASP 24 Ca 0.15 1.15 -0.05 0.00 0.71 0.00 0.00 52.55 54.52 3ncm s ASP 24 Cb -0.04 -2.32 0.06 0.00 1.01 0.00 0.00 42.92 41.63 3ncm s ASP 24 CO -0.11 0.27 0.24 -0.69 0.21 0.00 0.00 175.17 175.09 3ncm s VAL 25 N -1.14 -0.25 -1.31 -1.27 1.01 -1.26 0.54 120.40 116.71 3ncm s VAL 25 Ca 0.28 0.24 -0.16 0.00 0.00 0.00 0.00 61.98 62.34 3ncm s VAL 25 Cb -0.18 -0.40 0.09 0.00 0.00 0.00 0.00 36.38 35.89 3ncm s VAL 25 CO 0.17 0.10 1.78 0.52 0.00 0.00 0.00 175.10 177.67 3ncm n VAL 26 N 4.90 3.94 -2.96 2.92 0.31 0.21 -4.83 118.33 122.82 3ncm n VAL 26 Ca -0.14 -4.04 -0.30 0.00 -0.01 0.00 0.00 64.34 59.85 3ncm n VAL 26 Cb 0.51 -2.42 -0.03 0.00 -0.91 0.00 0.00 33.84 30.99 3ncm n VAL 26 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3ncm s SER 27 N 3.55 6.51 0.00 4.52 0.01 -1.24 -1.82 113.70 125.22 3ncm s SER 27 Ca 0.50 1.05 0.00 0.00 1.31 0.00 0.00 55.95 58.80 3ncm s SER 27 Cb 0.05 -2.29 0.00 0.00 0.21 0.00 0.00 66.02 63.99 3ncm s SER 27 CO 0.03 -0.35 0.22 -0.24 0.41 0.00 0.00 173.24 173.30 3ncm n SER 28 N -1.20 0.00 0.14 2.44 2.88 0.15 -4.87 113.62 113.16 3ncm n SER 28 Ca 0.02 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 3ncm n SER 28 Cb 0.54 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 3ncm n SER 28 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3ncm n LEU 29 N -0.39 -2.46 0.19 2.46 4.77 -1.26 -4.97 117.00 115.35 3ncm n LEU 29 Ca 0.00 0.63 -0.15 0.00 -0.03 0.00 0.00 56.01 56.46 3ncm n LEU 29 Cb 0.00 2.46 -0.08 0.00 -2.33 0.00 0.00 43.42 43.47 3ncm n LEU 29 CO 0.00 0.10 0.75 1.55 -1.33 0.00 0.00 177.39 178.46 3ncm h PRO 30 N 0.00 -0.44 0.00 3.23 0.14 -2.00 -3.44 132.00 129.49 3ncm h PRO 30 Ca 0.00 0.03 -0.00 0.00 0.14 0.00 0.00 66.00 66.17 3ncm h PRO 30 Cb 0.00 0.10 0.00 0.00 0.14 0.00 0.00 31.00 31.24 3ncm h PRO 30 CO 0.00 -0.29 -0.00 -0.35 0.14 0.00 0.00 178.00 177.50 3ncm n PRO 31 N -5.30 -1.73 -0.84 1.56 -0.05 -1.26 -5.08 135.00 122.29 3ncm n PRO 31 Ca -0.10 -0.01 0.00 0.00 -0.05 0.00 0.00 63.50 63.34 3ncm n PRO 31 Cb 0.21 -0.01 0.00 0.00 -0.05 0.00 0.00 33.50 33.65 3ncm n PRO 31 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 175.50 177.86 3ncm n THR 32 N -2.87 0.00 -3.78 0.52 -1.04 -0.95 -4.94 114.28 101.22 3ncm n THR 32 Ca 0.00 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.80 3ncm n THR 32 Cb 0.00 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.50 3ncm n THR 32 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 3ncm s ILE 33 N -2.44 5.00 -0.11 12.58 2.07 -1.26 -0.24 121.20 136.80 3ncm s ILE 33 Ca 0.00 -0.91 -0.00 0.00 -1.41 0.00 0.00 60.65 58.33 3ncm s ILE 33 Cb 0.00 -3.77 0.02 0.00 0.13 0.00 0.00 42.46 38.84 3ncm s ILE 33 CO 0.00 -0.33 -0.09 -0.63 -1.91 0.00 0.00 174.94 171.98 3ncm s ILE 34 N -2.07 1.11 -0.39 2.00 1.01 0.24 -4.86 121.20 118.24 3ncm s ILE 34 Ca 0.37 -0.36 -0.25 0.00 0.00 0.00 0.00 60.65 60.42 3ncm s ILE 34 Cb -0.09 -1.10 0.02 0.00 0.01 0.00 0.00 42.46 41.29 3ncm s ILE 34 CO 0.30 0.38 0.88 0.26 0.00 0.00 0.00 174.94 176.76 3ncm s TRP 35 N 1.57 3.05 0.00 3.97 0.52 -1.26 -1.53 118.94 125.25 3ncm s TRP 35 Ca 0.03 0.59 0.00 0.00 0.02 0.00 0.00 56.10 56.73 3ncm s TRP 35 Cb -0.13 -3.65 0.00 0.00 -1.15 0.00 0.00 33.47 28.54 3ncm s TRP 35 CO -0.07 -0.87 0.00 1.63 0.02 0.00 0.00 176.95 177.65 3ncm n LYS 36 N 6.76 1.62 -3.00 4.98 5.02 -0.74 -1.21 118.16 131.60 3ncm n LYS 36 Ca 0.05 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.23 3ncm n LYS 36 Cb 0.48 0.00 0.06 0.00 -0.02 0.00 0.00 35.03 35.55 3ncm n LYS 36 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 3ncm n HIS 37 N 0.00 -1.53 0.00 2.13 -0.00 -1.26 -0.69 115.22 113.87 3ncm n HIS 37 Ca 0.00 0.65 0.00 0.00 0.46 0.00 0.00 57.72 58.83 3ncm n HIS 37 Cb 0.00 -4.13 0.00 0.00 -0.12 0.00 0.00 29.99 25.74 3ncm n HIS 37 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 3ncm n LYS 38 N -3.18 0.00 -1.91 1.57 3.00 -1.26 -4.40 118.16 111.98 3ncm n LYS 38 Ca -0.20 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.09 3ncm n LYS 38 Cb 0.62 0.00 0.03 0.00 0.00 0.00 0.00 35.03 35.67 3ncm n LYS 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3ncm n GLY 39 N -1.00 1.29 3.02 3.14 0.00 -1.26 -5.07 105.19 105.31 3ncm n GLY 39 Ca 0.00 -0.35 -0.11 0.00 0.00 0.00 0.00 46.02 45.57 3ncm n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ncm n ARG 40 N -0.53 -2.19 -2.76 1.61 3.00 -1.26 -4.51 116.66 110.02 3ncm n ARG 40 Ca -0.14 1.90 -0.03 0.00 -0.01 0.00 0.00 57.85 59.57 3ncm n ARG 40 Cb 0.85 -3.87 -0.02 0.00 0.00 0.00 0.00 32.46 29.42 3ncm n ARG 40 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 3ncm n ASP 41 N 0.35 -4.05 0.20 0.55 -0.08 -1.24 -4.77 116.55 107.52 3ncm n ASP 41 Ca 0.02 1.24 0.04 0.00 -1.51 0.00 0.00 54.79 54.58 3ncm n ASP 41 Cb 0.38 -4.42 0.46 0.00 2.34 0.00 0.00 41.12 39.88 3ncm n ASP 41 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 3ncm h VAL 42 N 3.94 1.16 0.00 5.18 -1.51 -1.39 -2.67 116.25 120.97 3ncm h VAL 42 Ca -0.29 -0.75 0.00 0.00 -1.23 0.00 0.00 66.70 64.44 3ncm h VAL 42 Cb 0.73 1.37 0.00 0.00 -2.13 0.00 0.00 31.29 31.26 3ncm h VAL 42 CO 0.03 0.22 0.03 0.40 -1.23 0.00 0.00 177.57 177.01 3ncm h ILE 43 N 0.04 0.00 0.00 7.19 2.04 -1.89 0.11 117.51 125.00 3ncm h ILE 43 Ca 0.01 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 3ncm h ILE 43 Cb 0.38 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 3ncm h ILE 43 CO 0.03 0.00 -1.34 0.18 0.00 0.00 0.00 178.15 177.02 3ncm n LEU 44 N -2.76 0.64 -0.10 1.44 4.32 -1.00 -4.33 117.00 115.20 3ncm n LEU 44 Ca -0.02 0.25 -0.16 0.00 -0.02 0.00 0.00 56.01 56.06 3ncm n LEU 44 Cb 0.08 -0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 41.74 3ncm n LEU 44 CO 0.16 -0.07 -1.19 2.29 -1.22 0.00 0.00 177.39 177.36 3ncm n LYS 45 N -2.63 0.67 -3.87 3.23 2.85 -0.63 -5.02 118.16 112.78 3ncm n LYS 45 Ca -0.04 0.14 -0.30 0.00 -1.05 0.00 0.00 58.31 57.07 3ncm n LYS 45 Cb 0.63 -1.56 0.01 0.00 -0.65 0.00 0.00 35.03 33.45 3ncm n LYS 45 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3ncm n LYS 46 N -3.18 -2.18 -0.70 -1.58 4.76 0.30 -4.92 118.16 110.66 3ncm n LYS 46 Ca -0.40 0.39 -0.33 0.00 -2.87 0.00 0.00 58.31 55.10 3ncm n LYS 46 Cb 1.04 -4.17 0.16 0.00 -1.84 0.00 0.00 35.03 30.22 3ncm n LYS 46 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3ncm n ASP 47 N -2.79 -2.37 0.29 4.39 8.00 -1.26 -4.82 116.55 118.00 3ncm n ASP 47 Ca -0.21 -0.06 0.20 0.00 0.71 0.00 0.00 54.79 55.43 3ncm n ASP 47 Cb 0.64 -0.98 1.03 0.00 -0.02 0.00 0.00 41.12 41.79 3ncm n ASP 47 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 3ncm h VAL 48 N -1.97 0.00 -1.25 2.53 -1.51 -2.01 -3.01 116.25 109.04 3ncm h VAL 48 Ca -0.52 -0.05 -0.56 0.00 -1.23 0.00 0.00 66.70 64.34 3ncm h VAL 48 Cb 1.35 0.93 -0.42 0.00 -2.13 0.00 0.00 31.29 31.02 3ncm h VAL 48 CO 0.37 0.00 -0.78 -2.11 -1.23 0.00 0.00 177.57 173.82 3ncm n ARG 49 N -2.89 3.35 -3.47 5.19 1.85 -1.26 -4.90 116.66 114.54 3ncm n ARG 49 Ca -0.02 -4.33 -0.19 0.00 -1.00 0.00 0.00 57.85 52.31 3ncm n ARG 49 Cb 0.09 -2.20 -0.12 0.00 -1.05 0.00 0.00 32.46 29.17 3ncm n ARG 49 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3ncm s PHE 50 N -3.55 -0.28 -0.24 2.89 0.40 -1.14 -1.60 117.98 114.47 3ncm s PHE 50 Ca 0.48 0.06 -0.01 0.00 -0.60 0.00 0.00 56.93 56.86 3ncm s PHE 50 Cb 0.40 -0.42 0.07 0.00 0.51 0.00 0.00 43.02 43.58 3ncm s PHE 50 CO -0.11 -0.70 0.01 0.42 0.70 0.00 0.00 175.22 175.54 3ncm s ILE 51 N 2.32 1.09 0.08 0.64 1.01 -0.67 -4.64 121.20 121.02 3ncm s ILE 51 Ca 0.08 -1.06 -0.30 0.00 0.00 0.00 0.00 60.65 59.37 3ncm s ILE 51 Cb -0.15 -1.54 -0.05 0.00 0.01 0.00 0.00 42.46 40.73 3ncm s ILE 51 CO -0.19 -0.25 1.11 -0.69 0.00 0.00 0.00 174.94 174.92 3ncm s VAL 52 N 1.58 4.21 0.61 2.92 1.01 -1.26 -1.54 120.40 127.92 3ncm s VAL 52 Ca -0.01 1.67 -0.07 0.00 0.00 0.00 0.00 61.98 63.57 3ncm s VAL 52 Cb -0.18 -4.07 0.01 0.00 0.00 0.00 0.00 36.38 32.14 3ncm s VAL 52 CO -0.10 0.17 0.93 -0.76 0.00 0.00 0.00 175.10 175.35 3ncm s LEU 53 N 0.64 3.19 0.64 3.92 1.43 -0.46 -4.92 118.68 123.11 3ncm s LEU 53 Ca 0.54 0.81 0.41 0.00 -1.03 0.00 0.00 54.13 54.87 3ncm s LEU 53 Cb -0.27 -3.65 2.16 0.00 0.03 0.00 0.00 46.19 44.46 3ncm s LEU 53 CO 0.30 -1.09 2.29 0.77 0.23 0.00 0.00 176.35 178.85 3ncm h SER 54 N -0.25 0.00 -0.28 2.29 4.64 -1.96 -1.43 113.55 116.56 3ncm h SER 54 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3ncm h SER 54 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3ncm h SER 54 CO 0.61 0.01 0.00 -0.46 -0.87 0.00 0.00 176.83 176.12 3ncm n ASN 55 N -3.17 2.11 -1.39 4.97 0.23 -1.26 -4.90 115.26 111.84 3ncm n ASN 55 Ca -0.02 -2.14 -0.10 0.00 -0.53 0.00 0.00 54.58 51.79 3ncm n ASN 55 Cb 0.12 -0.34 0.01 0.00 -2.08 0.00 0.00 39.78 37.49 3ncm n ASN 55 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3ncm n ASN 56 N 0.35 -3.51 -4.85 0.53 4.13 -0.54 -4.56 115.26 106.81 3ncm n ASN 56 Ca 0.11 -0.10 -0.21 0.00 1.68 0.00 0.00 54.58 56.05 3ncm n ASN 56 Cb 0.40 -2.50 -0.04 0.00 -1.54 0.00 0.00 39.78 36.10 3ncm n ASN 56 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 3ncm s TYR 57 N -2.73 2.96 -0.41 3.10 1.51 -1.25 -4.41 117.35 116.11 3ncm s TYR 57 Ca 0.10 -0.25 0.02 0.00 -1.01 0.00 0.00 57.07 55.93 3ncm s TYR 57 Cb -0.05 -1.70 0.11 0.00 -0.11 0.00 0.00 41.96 40.22 3ncm s TYR 57 CO 0.13 0.27 0.15 -1.17 -1.11 0.00 0.00 175.55 173.81 3ncm s LEU 58 N -3.96 4.82 -0.70 -1.29 2.96 -0.99 -1.35 118.68 118.17 3ncm s LEU 58 Ca 0.39 -2.34 -0.27 0.00 -0.22 0.00 0.00 54.13 51.70 3ncm s LEU 58 Cb -0.06 -1.69 0.01 0.00 0.50 0.00 0.00 46.19 44.94 3ncm s LEU 58 CO 0.26 -0.39 1.55 -1.10 -1.32 0.00 0.00 176.35 175.36 3ncm s GLN 59 N 0.67 2.94 -0.28 1.98 -0.21 -0.59 -0.91 119.66 123.27 3ncm s GLN 59 Ca 0.12 0.10 -0.20 0.00 0.02 0.00 0.00 55.36 55.40 3ncm s GLN 59 Cb -0.21 -4.32 -0.02 0.00 1.00 0.00 0.00 33.01 29.46 3ncm s GLN 59 CO -0.05 -2.43 0.59 0.42 -2.12 0.00 0.00 175.29 171.70 3ncm s ILE 60 N 7.25 4.99 -0.40 1.08 1.01 0.17 -1.67 121.20 133.63 3ncm s ILE 60 Ca 0.50 0.94 -0.28 0.00 0.00 0.00 0.00 60.65 61.81 3ncm s ILE 60 Cb -0.10 -3.93 0.02 0.00 0.01 0.00 0.00 42.46 38.47 3ncm s ILE 60 CO 0.16 -0.02 1.06 -0.60 0.00 0.00 0.00 174.94 175.54 3ncm s ARG 61 N 2.48 3.85 0.00 2.79 6.06 -0.63 -0.10 118.95 133.41 3ncm s ARG 61 Ca 0.24 0.71 0.00 0.00 -2.50 0.00 0.00 55.73 54.18 3ncm s ARG 61 Cb -0.15 -3.83 0.00 0.00 0.06 0.00 0.00 34.95 31.03 3ncm s ARG 61 CO 0.10 -1.12 0.00 0.41 -2.50 0.00 0.00 175.30 172.19 3ncm n GLY 62 N 4.43 3.05 3.10 8.12 0.00 0.16 -4.77 105.19 119.29 3ncm n GLY 62 Ca 0.11 -0.63 -0.00 0.00 0.00 0.00 0.00 46.02 45.50 3ncm n GLY 62 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3ncm n ILE 63 N 0.00 -2.43 -2.75 -0.61 0.13 -1.08 0.84 119.36 113.47 3ncm n ILE 63 Ca 0.00 0.44 -0.29 0.00 -1.10 0.00 0.00 62.75 61.80 3ncm n ILE 63 Cb 0.00 -3.09 -0.02 0.00 -0.84 0.00 0.00 39.64 35.69 3ncm n ILE 63 CO 0.00 0.00 0.00 -0.54 2.80 0.00 0.00 176.55 178.81 3ncm s LYS 64 N -0.60 3.65 0.53 9.51 1.02 -1.26 -2.31 119.74 130.28 3ncm s LYS 64 Ca -0.01 0.32 0.23 0.00 0.02 0.00 0.00 55.97 56.53 3ncm s LYS 64 Cb 0.00 -2.39 1.44 0.00 -0.52 0.00 0.00 37.83 36.36 3ncm s LYS 64 CO 0.06 -0.12 2.14 -0.22 -0.92 0.00 0.00 175.35 176.29 3ncm h LYS 65 N 0.73 0.00 0.00 1.68 3.64 -1.93 -1.53 116.57 119.17 3ncm h LYS 65 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3ncm h LYS 65 Cb 1.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 3ncm h LYS 65 CO 0.63 0.06 -0.07 -2.37 -2.27 0.00 0.00 179.45 175.43 3ncm n THR 66 N -4.08 0.21 0.27 1.00 5.66 -1.26 -3.60 114.28 112.47 3ncm n THR 66 Ca -0.03 -0.10 0.11 0.00 -3.05 0.00 0.00 64.05 60.98 3ncm n THR 66 Cb 0.15 -0.46 -0.08 0.00 -1.55 0.00 0.00 70.33 68.39 3ncm n THR 66 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 3ncm n ASP 67 N -1.77 0.42 -4.77 1.09 9.92 -0.58 -4.95 116.55 115.90 3ncm n ASP 67 Ca 0.06 -0.10 -0.36 0.00 -0.53 0.00 0.00 54.79 53.86 3ncm n ASP 67 Cb 0.37 1.30 0.00 0.00 -0.64 0.00 0.00 41.12 42.15 3ncm n ASP 67 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 3ncm s GLU 68 N -3.35 3.47 0.00 -1.24 -1.05 -1.16 -4.82 118.70 110.55 3ncm s GLU 68 Ca -0.02 1.74 0.00 0.00 -0.15 0.00 0.00 54.97 56.54 3ncm s GLU 68 Cb 0.13 -2.18 0.00 0.00 -0.44 0.00 0.00 34.13 31.65 3ncm s GLU 68 CO 0.86 -0.78 0.00 0.41 0.95 0.00 0.00 175.26 176.69 3ncm n GLY 69 N 0.35 -1.02 2.72 -3.83 0.00 0.20 -4.96 105.19 98.65 3ncm n GLY 69 Ca 0.10 0.49 -0.19 0.00 0.00 0.00 0.00 46.02 46.42 3ncm n GLY 69 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ncm s THR 70 N 0.00 -0.32 0.10 2.61 2.01 -1.26 -0.29 115.64 118.49 3ncm s THR 70 Ca 0.00 -0.37 -0.24 0.00 0.31 0.00 0.00 61.69 61.39 3ncm s THR 70 Cb 0.00 -0.86 -0.07 0.00 0.01 0.00 0.00 72.50 71.58 3ncm s THR 70 CO 0.00 -0.40 0.73 -0.31 -0.69 0.00 0.00 174.62 173.95 3ncm s TYR 71 N 2.31 3.83 -0.27 4.92 1.51 0.17 -4.66 117.35 125.15 3ncm s TYR 71 Ca 0.08 1.50 -0.13 0.00 -1.01 0.00 0.00 57.07 57.51 3ncm s TYR 71 Cb -0.15 -2.73 -0.04 0.00 -0.11 0.00 0.00 41.96 38.93 3ncm s TYR 71 CO -0.25 0.44 0.30 0.50 -1.11 0.00 0.00 175.55 175.43 3ncm s ARG 72 N -0.75 4.00 -0.55 -0.62 3.52 0.14 0.50 118.95 125.20 3ncm s ARG 72 Ca 0.35 -0.10 -0.23 0.00 -0.13 0.00 0.00 55.73 55.62 3ncm s ARG 72 Cb -0.21 -3.65 0.04 0.00 -1.56 0.00 0.00 34.95 29.57 3ncm s ARG 72 CO 0.23 -0.22 0.90 0.00 -0.81 0.00 0.00 175.30 175.40 3ncm s GLU 74 N 3.78 3.47 -0.96 0.00 2.02 -0.58 -0.93 118.70 125.50 3ncm s GLU 74 Ca 0.28 -2.81 -0.24 0.00 0.02 0.00 0.00 54.97 52.22 3ncm s GLU 74 Cb -0.13 -4.22 -0.06 0.00 0.10 0.00 0.00 34.13 29.81 3ncm s GLU 74 CO 0.18 -1.25 1.96 0.20 0.02 0.00 0.00 175.26 176.38 3ncm s GLY 75 N 1.21 0.12 -0.19 -1.39 0.00 0.24 -0.59 107.32 106.73 3ncm s GLY 75 Ca 0.23 -1.61 -0.17 0.00 0.00 0.00 0.00 44.72 43.16 3ncm s GLY 75 CO -0.08 3.54 0.46 -1.60 0.00 0.00 0.00 173.10 175.41 3ncm s ARG 76 N 6.99 4.21 -0.34 2.90 3.52 0.67 -0.60 118.95 136.29 3ncm s ARG 76 Ca 0.71 0.32 -0.00 0.00 -0.13 0.00 0.00 55.73 56.63 3ncm s ARG 76 Cb -0.06 -3.53 0.14 0.00 -1.56 0.00 0.00 34.95 29.94 3ncm s ARG 76 CO 0.03 -0.05 0.23 0.42 -0.81 0.00 0.00 175.30 175.12 3ncm s ILE 77 N 1.31 0.02 -0.50 4.11 1.09 0.31 -2.23 121.20 125.31 3ncm s ILE 77 Ca 0.22 -1.44 0.13 0.00 -1.10 0.00 0.00 60.65 58.45 3ncm s ILE 77 Cb -0.15 -1.02 0.69 0.00 -1.06 0.00 0.00 42.46 40.92 3ncm s ILE 77 CO 0.09 -0.88 1.56 0.18 -0.10 0.00 0.00 174.94 175.78 3ncm n LEU 78 N 4.26 4.91 -0.02 2.97 4.77 -1.26 0.73 117.00 133.36 3ncm n LEU 78 Ca 0.09 -2.49 -0.01 0.00 -0.03 0.00 0.00 56.01 53.58 3ncm n LEU 78 Cb 0.39 -0.64 -0.06 0.00 -2.33 0.00 0.00 43.42 40.78 3ncm n LEU 78 CO 0.12 0.60 -0.69 0.00 -1.33 0.00 0.00 177.39 176.08 3ncm n ALA 79 N 0.61 2.00 0.04 -1.18 0.00 -1.26 -4.92 120.51 115.80 3ncm n ALA 79 Ca 0.23 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3ncm n ALA 79 Cb 1.02 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 20.42 3ncm n ALA 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ncm n ARG 80 N -2.09 0.00 0.00 0.00 5.12 -1.26 -5.05 116.66 113.39 3ncm n ARG 80 Ca -0.08 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.84 3ncm n ARG 80 Cb 0.54 -0.33 0.00 0.00 -1.16 0.00 0.00 32.46 31.51 3ncm n ARG 80 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ncm n GLY 81 N 3.38 -0.35 0.00 -0.13 0.00 -1.24 -4.90 105.19 101.94 3ncm n GLY 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3ncm n GLY 81 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3ncm n GLU 82 N -1.23 0.00 -3.44 1.61 0.28 0.22 -4.89 120.64 113.19 3ncm n GLU 82 Ca 0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.59 3ncm n GLU 82 Cb 0.00 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 32.77 3ncm n GLU 82 CO 0.00 0.00 0.00 0.96 -0.16 0.00 0.00 177.13 177.93 3ncm s ILE 83 N -3.02 5.21 0.20 3.84 -5.25 -1.26 -0.53 121.20 120.39 3ncm s ILE 83 Ca 0.00 -0.07 0.09 0.00 -0.99 0.00 0.00 60.65 59.68 3ncm s ILE 83 Cb 0.00 -3.79 -0.04 0.00 2.95 0.00 0.00 42.46 41.57 3ncm s ILE 83 CO 0.00 -0.08 -0.06 0.20 -1.79 0.00 0.00 174.94 173.21 3ncm s ASN 84 N 1.73 4.39 0.27 4.36 -0.87 0.23 -4.95 114.94 120.10 3ncm s ASN 84 Ca 0.10 -0.58 -0.20 0.00 -1.57 0.00 0.00 52.86 50.61 3ncm s ASN 84 Cb -0.17 -0.79 0.06 0.00 -0.02 0.00 0.00 41.25 40.33 3ncm s ASN 84 CO 0.11 0.07 0.90 0.72 -2.57 0.00 0.00 177.10 176.34 3ncm s PHE 85 N -1.88 0.04 0.03 2.20 -0.12 -1.26 0.82 117.98 117.81 3ncm s PHE 85 Ca 0.27 -0.53 -0.28 0.00 -0.05 0.00 0.00 56.93 56.33 3ncm s PHE 85 Cb -0.08 0.75 0.10 0.00 -0.63 0.00 0.00 43.02 43.15 3ncm s PHE 85 CO 0.17 -1.19 1.08 -1.59 -0.05 0.00 0.00 175.22 173.64 3ncm s LYS 86 N -2.55 0.78 -0.22 1.99 -2.85 -0.11 -4.94 119.74 111.83 3ncm s LYS 86 Ca 0.17 -0.40 -0.07 0.00 -1.00 0.00 0.00 55.97 54.67 3ncm s LYS 86 Cb -0.04 0.29 -0.03 0.00 -2.06 0.00 0.00 37.83 35.99 3ncm s LYS 86 CO 0.07 -0.35 0.06 0.16 0.10 0.00 0.00 175.35 175.39 3ncm s ASP 87 N -2.79 5.27 -0.26 0.03 -4.77 -1.26 -0.38 116.67 112.50 3ncm s ASP 87 Ca 0.11 -0.11 -0.08 0.00 -3.30 0.00 0.00 52.55 49.17 3ncm s ASP 87 Cb 0.01 -1.93 -0.03 0.00 -1.09 0.00 0.00 42.92 39.88 3ncm s ASP 87 CO -0.02 0.05 0.10 -0.63 0.70 0.00 0.00 175.17 175.37 3ncm s ILE 88 N 1.12 4.52 -0.36 2.11 1.09 0.18 -4.84 121.20 125.03 3ncm s ILE 88 Ca 0.04 -0.16 -0.26 0.00 -1.10 0.00 0.00 60.65 59.17 3ncm s ILE 88 Cb -0.14 -3.16 0.01 0.00 -1.06 0.00 0.00 42.46 38.12 3ncm s ILE 88 CO 0.03 0.28 0.94 -1.10 -0.10 0.00 0.00 174.94 174.99 3ncm s GLN 89 N 1.64 3.89 -0.13 2.79 -0.21 0.14 0.41 119.66 128.18 3ncm s GLN 89 Ca 0.06 0.66 -0.03 0.00 0.02 0.00 0.00 55.36 56.07 3ncm s GLN 89 Cb -0.16 -3.79 -0.03 0.00 1.00 0.00 0.00 33.01 30.04 3ncm s GLN 89 CO 0.05 -0.93 -0.03 0.08 -2.12 0.00 0.00 175.29 172.35 3ncm s VAL 90 N 3.48 4.00 0.25 1.09 1.01 0.60 0.94 120.40 131.77 3ncm s VAL 90 Ca 0.39 -0.33 0.11 0.00 0.00 0.00 0.00 61.98 62.14 3ncm s VAL 90 Cb -0.12 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 3ncm s VAL 90 CO 0.18 0.52 -0.19 -0.63 0.00 0.00 0.00 175.10 174.98 3ncm s ILE 91 N 0.00 2.24 0.00 2.22 1.01 -0.49 0.59 121.20 126.77 3ncm s ILE 91 Ca 0.01 -2.30 0.00 0.00 0.00 0.00 0.00 60.65 58.36 3ncm s ILE 91 Cb -0.13 -2.19 0.00 0.00 0.01 0.00 0.00 42.46 40.14 3ncm s ILE 91 CO 0.02 -0.42 0.00 0.55 0.00 0.00 0.00 174.94 175.09