#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ncm s VAL 2 N 0.00 -0.58 -0.16 2.97 1.01 -1.24 0.58 120.40 122.98 3ncm s VAL 2 Ca 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.77 3ncm s VAL 2 Cb 0.00 -0.91 0.01 0.00 0.00 0.00 0.00 36.38 35.48 3ncm s VAL 2 CO 0.00 -0.24 -0.20 0.00 0.00 0.00 0.00 175.10 174.66 3ncm s MET 3 N 2.51 3.06 0.13 2.72 0.23 -0.83 -4.93 119.30 122.19 3ncm s MET 3 Ca 0.11 -0.82 -0.30 0.00 -1.03 0.00 0.00 55.69 53.65 3ncm s MET 3 Cb -0.14 -2.53 -0.07 0.00 -1.53 0.00 0.00 34.83 30.56 3ncm s MET 3 CO -0.24 -0.08 1.17 -0.06 -2.03 0.00 0.00 175.02 173.78 3ncm s PHE 4 N 0.99 3.48 0.15 3.16 0.40 -1.26 -0.81 117.98 124.09 3ncm s PHE 4 Ca -0.02 1.43 0.02 0.00 -0.60 0.00 0.00 56.93 57.75 3ncm s PHE 4 Cb -0.15 -3.38 -0.04 0.00 0.51 0.00 0.00 43.02 39.96 3ncm s PHE 4 CO -0.05 -1.04 -0.01 -1.59 0.70 0.00 0.00 175.22 173.22 3ncm s LYS 5 N 0.23 1.03 -0.32 0.44 -2.85 0.18 -4.93 119.74 113.52 3ncm s LYS 5 Ca 0.54 -1.48 -0.00 0.00 -1.00 0.00 0.00 55.97 54.03 3ncm s LYS 5 Cb -0.30 -0.22 0.00 0.00 -2.06 0.00 0.00 37.83 35.24 3ncm s LYS 5 CO 0.33 -0.11 0.23 -1.71 0.10 0.00 0.00 175.35 174.19 3ncm n ASN 6 N -0.19 -1.87 -3.52 0.03 5.15 -1.26 -1.15 115.26 112.47 3ncm n ASN 6 Ca -0.08 -0.38 -0.28 0.00 -0.60 0.00 0.00 54.58 53.25 3ncm n ASN 6 Cb 0.63 -0.62 -0.11 0.00 -0.53 0.00 0.00 39.78 39.15 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 -2.34 1.77 -0.29 5.20 0.00 -1.26 -2.22 121.76 122.62 3ncm s ALA 7 Ca 0.00 -2.58 -0.28 0.00 0.00 0.00 0.00 51.96 49.10 3ncm s ALA 7 Cb -0.00 -1.71 -0.03 0.00 0.00 0.00 0.00 23.12 21.38 3ncm s ALA 7 CO 0.35 -2.02 1.93 -2.14 0.00 0.00 0.00 175.76 173.88 3ncm s PRO 8 N 0.03 3.28 0.06 0.00 0.02 -1.25 -4.91 135.00 132.22 3ncm s PRO 8 Ca 0.27 1.63 -0.35 0.00 0.02 0.00 0.00 61.00 62.57 3ncm s PRO 8 Cb -0.05 -4.25 -0.20 0.00 0.02 0.00 0.00 34.50 30.02 3ncm s PRO 8 CO -0.14 -1.93 1.54 1.79 -0.33 0.00 0.00 177.00 177.93 3ncm h THR 9 N 6.92 0.10 -1.30 0.99 1.35 -1.88 -3.36 112.91 115.71 3ncm h THR 9 Ca -0.36 -0.04 -0.59 0.00 -0.55 0.00 0.00 66.41 64.87 3ncm h THR 9 Cb 1.19 0.10 -0.10 0.00 -1.73 0.00 0.00 68.15 67.62 3ncm h THR 9 CO 1.01 0.00 1.43 -2.16 -0.25 0.00 0.00 175.52 175.55 3ncm s PRO 10 N -5.87 3.53 0.48 4.72 0.05 -1.25 0.56 135.00 137.23 3ncm s PRO 10 Ca -0.19 -1.00 0.08 0.00 0.05 0.00 0.00 61.00 59.95 3ncm s PRO 10 Cb 0.02 -5.19 0.04 0.00 0.05 0.00 0.00 34.50 29.42 3ncm s PRO 10 CO 0.59 -2.20 0.62 1.14 0.05 0.00 0.00 177.00 177.20 3ncm s GLN 11 N 5.06 2.58 -0.28 4.56 -2.07 0.12 -4.98 119.66 124.65 3ncm s GLN 11 Ca 0.44 -1.46 -0.10 0.00 -1.82 0.00 0.00 55.36 52.42 3ncm s GLN 11 Cb -0.01 -2.64 0.12 0.00 -1.09 0.00 0.00 33.01 29.39 3ncm s GLN 11 CO -0.06 -0.49 0.61 -1.83 -1.32 0.00 0.00 175.29 172.19 3ncm s GLU 12 N -4.43 0.54 0.00 9.60 -1.05 -1.26 -1.39 118.70 120.71 3ncm s GLU 12 Ca 0.55 1.35 0.00 0.00 -0.15 0.00 0.00 54.97 56.72 3ncm s GLU 12 Cb -0.07 0.69 0.00 0.00 -0.44 0.00 0.00 34.13 34.31 3ncm s GLU 12 CO 0.34 -0.20 0.00 1.19 0.95 0.00 0.00 175.26 177.53 3ncm n PHE 13 N 5.31 -0.50 -4.09 4.83 3.72 -0.59 -4.97 117.46 121.17 3ncm n PHE 13 Ca -0.12 -0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 56.92 3ncm n PHE 13 Cb 0.50 -0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.96 3ncm n PHE 13 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 3ncm s LYS 14 N -2.00 3.40 -0.06 -1.08 2.20 -1.26 -4.38 119.74 116.56 3ncm s LYS 14 Ca 0.00 -0.29 -0.29 0.00 -0.36 0.00 0.00 55.97 55.03 3ncm s LYS 14 Cb -0.00 -3.05 -0.07 0.00 -1.51 0.00 0.00 37.83 33.20 3ncm s LYS 14 CO 0.00 0.63 2.01 -2.00 -0.36 0.00 0.00 175.35 175.63 3ncm s GLU 15 N -0.63 3.81 0.00 4.03 -6.30 -1.19 -1.53 118.70 116.89 3ncm s GLU 15 Ca 0.11 2.36 0.00 0.00 -2.50 0.00 0.00 54.97 54.94 3ncm s GLU 15 Cb -0.12 -4.21 0.00 0.00 0.00 0.00 0.00 34.13 29.80 3ncm s GLU 15 CO 0.02 -1.32 0.00 0.41 0.02 0.00 0.00 175.26 174.39 3ncm n GLY 16 N 4.91 0.90 3.61 -1.50 0.00 0.27 -5.03 105.19 108.34 3ncm n GLY 16 Ca 0.23 -0.41 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.13 1.99 -0.74 1.61 2.12 0.13 -4.66 118.70 118.02 3ncm s GLU 17 Ca 0.00 -1.84 -0.27 0.00 0.36 0.00 0.00 54.97 53.23 3ncm s GLU 17 Cb 0.00 -1.84 0.03 0.00 0.26 0.00 0.00 34.13 32.58 3ncm s GLU 17 CO 0.00 0.12 1.26 -0.51 -0.54 0.00 0.00 175.26 175.58 3ncm s ASP 18 N -3.69 6.17 0.36 -1.70 1.11 -1.26 0.42 116.67 118.07 3ncm s ASP 18 Ca 0.34 -0.51 0.06 0.00 0.18 0.00 0.00 52.55 52.63 3ncm s ASP 18 Cb 0.02 -2.55 -0.01 0.00 1.07 0.00 0.00 42.92 41.45 3ncm s ASP 18 CO 0.18 -1.80 0.51 0.00 1.18 0.00 0.00 175.17 175.24 3ncm s ALA 19 N 5.60 4.23 -0.02 5.23 0.00 0.77 -4.89 121.76 132.68 3ncm s ALA 19 Ca 0.34 -1.45 -0.02 0.00 0.00 0.00 0.00 51.96 50.83 3ncm s ALA 19 Cb -0.09 -1.72 0.01 0.00 0.00 0.00 0.00 23.12 21.32 3ncm s ALA 19 CO 0.14 -0.11 0.06 0.08 0.00 0.00 0.00 175.76 175.94 3ncm s VAL 20 N -2.24 -0.00 -0.37 0.00 1.01 -1.26 0.47 120.40 118.01 3ncm s VAL 20 Ca 0.47 0.01 -0.16 0.00 0.00 0.00 0.00 61.98 62.30 3ncm s VAL 20 Cb -0.10 -0.10 -0.00 0.00 0.00 0.00 0.00 36.38 36.19 3ncm s VAL 20 CO 0.32 0.00 0.38 -0.63 0.00 0.00 0.00 175.10 175.18 3ncm s ILE 21 N 0.09 5.15 -0.25 2.22 1.01 -0.17 -4.85 121.20 124.40 3ncm s ILE 21 Ca -0.00 -0.10 -0.29 0.00 0.00 0.00 0.00 60.65 60.25 3ncm s ILE 21 Cb -0.01 -3.89 -0.00 0.00 0.01 0.00 0.00 42.46 38.56 3ncm s ILE 21 CO -0.00 -0.20 1.24 -0.69 0.00 0.00 0.00 174.94 175.29 3ncm s VAL 22 N 2.04 4.28 -0.39 2.92 1.01 -1.26 -2.30 120.40 126.70 3ncm s VAL 22 Ca 0.12 1.50 0.07 0.00 0.00 0.00 0.00 61.98 63.66 3ncm s VAL 22 Cb -0.17 -4.14 0.18 0.00 0.00 0.00 0.00 36.38 32.25 3ncm s VAL 22 CO 0.12 -0.32 0.58 0.00 0.00 0.00 0.00 175.10 175.48 3ncm s ASP 24 N 1.89 7.12 -0.07 0.00 1.01 -0.30 -4.44 116.67 121.90 3ncm s ASP 24 Ca 0.15 1.33 -0.03 0.00 0.71 0.00 0.00 52.55 54.71 3ncm s ASP 24 Cb -0.07 -2.39 0.04 0.00 1.01 0.00 0.00 42.92 41.51 3ncm s ASP 24 CO -0.09 0.22 0.16 -0.69 0.21 0.00 0.00 175.17 174.98 3ncm s VAL 25 N -0.92 -0.04 -1.05 -1.27 1.01 -1.26 0.48 120.40 117.34 3ncm s VAL 25 Ca 0.31 0.16 -0.12 0.00 0.00 0.00 0.00 61.98 62.33 3ncm s VAL 25 Cb -0.20 -0.25 0.24 0.00 0.00 0.00 0.00 36.38 36.17 3ncm s VAL 25 CO 0.20 0.06 1.08 -0.69 0.00 0.00 0.00 175.10 175.76 3ncm s VAL 26 N 1.06 5.67 0.74 2.92 1.01 0.01 -4.93 120.40 126.89 3ncm s VAL 26 Ca -0.08 -2.95 -0.08 0.00 0.00 0.00 0.00 61.98 58.87 3ncm s VAL 26 Cb -0.10 -4.63 0.08 0.00 0.00 0.00 0.00 36.38 31.72 3ncm s VAL 26 CO -0.06 -1.24 1.06 -0.44 0.00 0.00 0.00 175.10 174.43 3ncm s SER 27 N 1.92 4.59 0.00 3.32 0.01 -1.26 -1.97 113.70 120.31 3ncm s SER 27 Ca 0.30 0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.99 3ncm s SER 27 Cb -0.08 -0.99 0.00 0.00 0.21 0.00 0.00 66.02 65.16 3ncm s SER 27 CO -0.07 -1.76 0.43 -0.24 0.41 0.00 0.00 173.24 172.01 3ncm n SER 28 N -3.04 0.00 0.11 2.44 2.88 0.20 -4.85 113.62 111.35 3ncm n SER 28 Ca 0.09 0.43 0.00 0.00 -1.33 0.00 0.00 58.87 58.06 3ncm n SER 28 Cb 0.60 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 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 -0.72 -1.89 0.18 2.46 4.77 -1.26 -5.02 117.00 115.52 3ncm n LEU 29 Ca 0.00 0.49 -0.14 0.00 -0.03 0.00 0.00 56.01 56.33 3ncm n LEU 29 Cb 0.00 1.97 -0.08 0.00 -2.33 0.00 0.00 43.42 42.98 3ncm n LEU 29 CO 0.00 0.01 0.74 1.55 -1.33 0.00 0.00 177.39 178.36 3ncm h PRO 30 N 0.00 -0.38 0.00 3.23 0.14 -2.00 -3.45 132.00 129.54 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 0.09 0.00 0.00 0.14 0.00 0.00 31.00 31.23 3ncm h PRO 30 CO 0.00 -0.22 0.00 -2.30 0.14 0.00 0.00 178.00 175.62 3ncm n PRO 31 N -5.24 -0.11 -0.41 1.56 -0.02 -1.26 -5.09 135.00 124.44 3ncm n PRO 31 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 3ncm n PRO 31 Cb 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.67 3ncm n PRO 31 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3ncm n THR 32 N -1.71 0.00 -3.35 3.45 -1.04 -1.06 -4.98 114.28 105.60 3ncm n THR 32 Ca 0.00 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.82 3ncm n THR 32 Cb 0.00 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.51 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 -2.55 3.51 -0.03 12.58 2.07 -1.26 -0.21 121.20 135.30 3ncm s ILE 33 Ca 0.00 -1.07 0.02 0.00 -1.41 0.00 0.00 60.65 58.20 3ncm s ILE 33 Cb 0.00 -3.20 0.01 0.00 0.13 0.00 0.00 42.46 39.39 3ncm s ILE 33 CO 0.00 -0.09 -0.09 -0.63 -1.91 0.00 0.00 174.94 172.22 3ncm s ILE 34 N -2.28 0.81 -0.35 2.00 1.01 0.10 -4.84 121.20 117.66 3ncm s ILE 34 Ca 0.48 -0.36 -0.16 0.00 0.00 0.00 0.00 60.65 60.62 3ncm s ILE 34 Cb -0.09 -0.74 -0.01 0.00 0.01 0.00 0.00 42.46 41.64 3ncm s ILE 34 CO 0.31 0.26 0.42 0.26 0.00 0.00 0.00 174.94 176.19 3ncm s TRP 35 N 0.33 3.20 0.00 3.97 0.52 -1.26 -0.78 118.94 124.92 3ncm s TRP 35 Ca -0.06 0.03 0.00 0.00 0.02 0.00 0.00 56.10 56.09 3ncm s TRP 35 Cb -0.10 -2.77 0.00 0.00 -1.15 0.00 0.00 33.47 29.45 3ncm s TRP 35 CO 0.01 -0.48 0.00 1.17 0.02 0.00 0.00 176.95 177.66 3ncm n LYS 36 N 5.52 3.18 0.00 4.98 4.81 -0.48 -1.71 118.16 134.47 3ncm n LYS 36 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.37 3ncm n LYS 36 Cb 0.49 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.54 3ncm n LYS 36 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 3ncm n HIS 37 N 0.00 -1.17 -1.53 5.64 -0.00 -1.24 -1.82 115.22 115.11 3ncm n HIS 37 Ca 0.00 0.00 -0.18 0.00 0.46 0.00 0.00 57.72 58.00 3ncm n HIS 37 Cb 0.00 0.14 -0.08 0.00 -0.12 0.00 0.00 29.99 29.93 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 -0.68 -1.45 0.00 1.57 0.00 -1.25 -2.05 118.16 114.29 3ncm n LYS 38 Ca 0.00 1.10 0.00 0.00 0.00 0.00 0.00 58.31 59.41 3ncm n LYS 38 Cb 0.00 -5.45 0.00 0.00 0.00 0.00 0.00 35.03 29.58 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 -0.29 3.43 1.38 3.14 0.00 -1.26 -5.05 105.19 106.54 3ncm n GLY 39 Ca -0.18 -1.01 0.01 0.00 0.00 0.00 0.00 46.02 44.83 3ncm n GLY 39 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3ncm n ARG 40 N 0.00 0.09 -2.31 1.61 -4.01 -0.87 -5.15 116.66 106.02 3ncm n ARG 40 Ca 0.00 -0.31 -0.37 0.00 -1.04 0.00 0.00 57.85 56.13 3ncm n ARG 40 Cb 0.00 0.49 -0.01 0.00 -3.04 0.00 0.00 32.46 29.90 3ncm n ARG 40 CO 0.00 0.00 0.00 0.34 -3.04 0.00 0.00 177.63 174.93 3ncm s ASP 41 N -1.96 6.26 -0.15 2.89 -1.08 -1.26 -3.64 116.67 117.73 3ncm s ASP 41 Ca 0.10 2.25 0.08 0.00 -0.52 0.00 0.00 52.55 54.46 3ncm s ASP 41 Cb -0.00 -2.60 -0.23 0.00 -1.46 0.00 0.00 42.92 38.63 3ncm s ASP 41 CO 0.00 -0.85 0.24 1.33 0.52 0.00 0.00 175.17 176.42 3ncm n VAL 42 N -0.45 1.56 0.32 1.11 0.24 -0.69 -4.21 118.33 116.21 3ncm n VAL 42 Ca 0.07 -0.74 0.20 0.00 -2.04 0.00 0.00 64.34 61.83 3ncm n VAL 42 Cb 0.48 -1.10 1.06 0.00 -1.47 0.00 0.00 33.84 32.81 3ncm n VAL 42 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 3ncm h ILE 43 N 0.02 0.00 0.00 1.34 1.08 -1.94 0.29 117.51 118.30 3ncm h ILE 43 Ca -0.45 0.00 -0.09 0.00 -0.39 0.00 0.00 64.86 63.93 3ncm h ILE 43 Cb 2.06 0.86 -0.02 0.00 -3.07 0.00 0.00 36.82 36.66 3ncm h ILE 43 CO 0.03 0.00 -1.47 0.18 -0.69 0.00 0.00 178.15 176.20 3ncm n LEU 44 N -2.93 0.60 -0.10 1.44 4.32 -1.26 -4.37 117.00 114.70 3ncm n LEU 44 Ca -0.03 0.25 -0.17 0.00 -0.02 0.00 0.00 56.01 56.04 3ncm n LEU 44 Cb 0.14 0.04 -0.13 0.00 -1.62 0.00 0.00 43.42 41.86 3ncm n LEU 44 CO 0.17 0.02 -1.21 2.29 -1.22 0.00 0.00 177.39 177.45 3ncm n LYS 45 N -2.67 0.67 -3.82 3.23 2.85 -0.60 -5.02 118.16 112.82 3ncm n LYS 45 Ca -0.07 0.16 -0.29 0.00 -1.05 0.00 0.00 58.31 57.06 3ncm n LYS 45 Cb 0.70 -1.56 0.01 0.00 -0.65 0.00 0.00 35.03 33.53 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 -3.24 -2.37 -0.77 -1.58 4.76 0.91 -4.92 118.16 110.96 3ncm n LYS 46 Ca -0.41 0.43 -0.33 0.00 -2.87 0.00 0.00 58.31 55.13 3ncm n LYS 46 Cb 1.02 -4.32 0.13 0.00 -1.84 0.00 0.00 35.03 30.03 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 -2.82 -2.03 0.32 4.39 9.92 -1.26 -4.82 116.55 120.24 3ncm n ASP 47 Ca -0.20 0.26 0.20 0.00 -0.53 0.00 0.00 54.79 54.52 3ncm n ASP 47 Cb 0.64 -1.18 1.08 0.00 -0.64 0.00 0.00 41.12 41.02 3ncm n ASP 47 CO 0.00 0.00 0.00 -0.37 0.13 0.00 0.00 177.20 176.96 3ncm h VAL 48 N -1.66 0.10 -1.39 2.53 -1.51 -2.01 -2.72 116.25 109.60 3ncm h VAL 48 Ca -0.45 0.00 -0.64 0.00 -1.23 0.00 0.00 66.70 64.38 3ncm h VAL 48 Cb 1.29 0.92 -0.36 0.00 -2.13 0.00 0.00 31.29 31.01 3ncm h VAL 48 CO 0.35 0.00 -0.02 -2.11 -1.23 0.00 0.00 177.57 174.56 3ncm n ARG 49 N -3.19 3.17 -3.45 5.19 1.85 -1.26 -4.89 116.66 114.08 3ncm n ARG 49 Ca -0.02 -3.98 -0.17 0.00 -1.00 0.00 0.00 57.85 52.68 3ncm n ARG 49 Cb 0.15 -2.27 -0.11 0.00 -1.05 0.00 0.00 32.46 29.18 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 -3.74 -0.37 -0.24 2.89 0.40 -1.03 -1.59 117.98 114.30 3ncm s PHE 50 Ca 0.53 0.11 -0.00 0.00 -0.60 0.00 0.00 56.93 56.96 3ncm s PHE 50 Cb 0.43 -0.38 0.07 0.00 0.51 0.00 0.00 43.02 43.65 3ncm s PHE 50 CO -0.17 -0.73 0.01 0.42 0.70 0.00 0.00 175.22 175.45 3ncm s ILE 51 N 2.35 1.17 0.26 0.64 1.01 -0.66 -4.72 121.20 121.25 3ncm s ILE 51 Ca 0.08 -1.14 -0.30 0.00 0.00 0.00 0.00 60.65 59.30 3ncm s ILE 51 Cb -0.15 -1.61 -0.09 0.00 0.01 0.00 0.00 42.46 40.62 3ncm s ILE 51 CO -0.20 -0.27 1.09 -0.69 0.00 0.00 0.00 174.94 174.86 3ncm s VAL 52 N 1.54 3.59 0.48 2.92 1.01 -1.26 -1.54 120.40 127.13 3ncm s VAL 52 Ca -0.01 1.56 0.02 0.00 0.00 0.00 0.00 61.98 63.56 3ncm s VAL 52 Cb -0.18 -3.99 0.02 0.00 0.00 0.00 0.00 36.38 32.22 3ncm s VAL 52 CO -0.10 0.36 0.69 -0.76 0.00 0.00 0.00 175.10 175.28 3ncm s LEU 53 N -1.25 3.51 0.60 3.92 1.43 -0.05 -4.93 118.68 121.90 3ncm s LEU 53 Ca 0.45 0.01 0.34 0.00 -1.03 0.00 0.00 54.13 53.90 3ncm s LEU 53 Cb -0.31 -2.92 1.90 0.00 0.03 0.00 0.00 46.19 44.89 3ncm s LEU 53 CO 0.39 -0.89 2.24 0.77 0.23 0.00 0.00 176.35 179.09 3ncm h SER 54 N 0.33 0.00 -0.32 2.29 4.64 -1.96 -1.55 113.55 116.98 3ncm h SER 54 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3ncm h SER 54 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3ncm h SER 54 CO 0.53 0.03 0.00 -0.46 -0.87 0.00 0.00 176.83 176.06 3ncm n ASN 55 N -3.52 2.97 -1.46 4.97 6.94 -1.26 -4.90 115.26 119.01 3ncm n ASN 55 Ca -0.02 -2.33 -0.11 0.00 -0.02 0.00 0.00 54.58 52.09 3ncm n ASN 55 Cb 0.13 -0.49 0.01 0.00 -2.36 0.00 0.00 39.78 37.06 3ncm n ASN 55 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 3ncm n ASN 56 N 0.40 -3.78 -4.88 0.53 4.13 -0.58 -4.52 115.26 106.57 3ncm n ASN 56 Ca 0.14 -0.07 -0.23 0.00 1.68 0.00 0.00 54.58 56.09 3ncm n ASN 56 Cb 0.60 -2.87 -0.04 0.00 -1.54 0.00 0.00 39.78 35.94 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 -2.69 3.27 -0.42 3.10 1.51 -1.25 -4.37 117.35 116.50 3ncm s TYR 57 Ca 0.07 -0.03 -0.02 0.00 -1.01 0.00 0.00 57.07 56.08 3ncm s TYR 57 Cb -0.03 -1.52 0.11 0.00 -0.11 0.00 0.00 41.96 40.42 3ncm s TYR 57 CO 0.08 0.50 0.21 -1.17 -1.11 0.00 0.00 175.55 174.06 3ncm s LEU 58 N -3.61 5.17 -0.73 -1.29 2.96 -0.97 -0.87 118.68 119.34 3ncm s LEU 58 Ca 0.33 -2.15 -0.26 0.00 -0.22 0.00 0.00 54.13 51.83 3ncm s LEU 58 Cb -0.09 -1.80 0.02 0.00 0.50 0.00 0.00 46.19 44.81 3ncm s LEU 58 CO 0.26 -0.50 1.47 -1.10 -1.32 0.00 0.00 176.35 175.16 3ncm s GLN 59 N 0.97 3.05 -0.26 1.98 -0.21 -0.59 -1.00 119.66 123.59 3ncm s GLN 59 Ca 0.10 -0.08 -0.20 0.00 0.02 0.00 0.00 55.36 55.19 3ncm s GLN 59 Cb -0.22 -4.35 -0.02 0.00 1.00 0.00 0.00 33.01 29.42 3ncm s GLN 59 CO -0.05 -2.35 0.64 0.42 -2.12 0.00 0.00 175.29 171.83 3ncm s ILE 60 N 6.71 4.97 -0.38 1.08 1.01 0.18 -1.65 121.20 133.12 3ncm s ILE 60 Ca 0.45 1.10 -0.28 0.00 0.00 0.00 0.00 60.65 61.93 3ncm s ILE 60 Cb -0.09 -3.95 0.02 0.00 0.01 0.00 0.00 42.46 38.45 3ncm s ILE 60 CO 0.14 -0.01 1.04 -0.60 0.00 0.00 0.00 174.94 175.51 3ncm s ARG 61 N 2.54 3.90 0.00 2.79 6.06 -0.62 -0.16 118.95 133.46 3ncm s ARG 61 Ca 0.26 0.77 0.00 0.00 -2.50 0.00 0.00 55.73 54.27 3ncm s ARG 61 Cb -0.15 -3.80 0.00 0.00 0.06 0.00 0.00 34.95 31.05 3ncm s ARG 61 CO 0.09 -1.04 0.00 0.41 -2.50 0.00 0.00 175.30 172.26 3ncm n GLY 62 N 4.29 2.86 3.09 8.12 0.00 0.17 -4.78 105.19 118.94 3ncm n GLY 62 Ca 0.10 -0.51 -0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.88 -2.40 -0.61 0.13 -1.08 0.93 119.36 113.45 3ncm n ILE 63 Ca 0.00 0.53 -0.32 0.00 -1.10 0.00 0.00 62.75 61.87 3ncm n ILE 63 Cb 0.00 -3.28 -0.03 0.00 -0.84 0.00 0.00 39.64 35.49 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 -0.70 3.93 0.56 9.51 1.02 -1.26 -2.49 119.74 130.30 3ncm s LYS 64 Ca -0.01 0.92 0.29 0.00 0.02 0.00 0.00 55.97 57.18 3ncm s LYS 64 Cb 0.00 -2.15 1.67 0.00 -0.52 0.00 0.00 37.83 36.83 3ncm s LYS 64 CO 0.09 -0.27 2.18 -0.22 -0.92 0.00 0.00 175.35 176.21 3ncm h LYS 65 N 0.89 0.00 0.00 1.68 3.64 -1.92 -1.50 116.57 119.36 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 1.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 3ncm h LYS 65 CO 0.62 0.05 -0.18 1.79 -2.27 0.00 0.00 179.45 179.45 3ncm h THR 66 N 0.00 0.00 0.00 1.00 1.35 -1.97 -3.27 112.91 110.02 3ncm h THR 66 Ca -0.00 -0.66 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 3ncm h THR 66 Cb 0.14 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 3ncm h THR 66 CO 0.01 0.00 -0.68 0.47 -0.25 0.00 0.00 175.52 175.07 3ncm n ASP 67 N -2.50 0.60 -4.77 5.36 9.92 -0.57 -4.91 116.55 119.68 3ncm n ASP 67 Ca 0.04 -0.17 -0.39 0.00 -0.53 0.00 0.00 54.79 53.75 3ncm n ASP 67 Cb 0.47 0.38 -0.04 0.00 -0.64 0.00 0.00 41.12 41.29 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 -3.09 4.34 0.00 -1.24 -1.05 -1.18 -4.82 118.70 111.65 3ncm s GLU 68 Ca 0.08 1.74 0.00 0.00 -0.15 0.00 0.00 54.97 56.63 3ncm s GLU 68 Cb 0.16 -2.86 0.00 0.00 -0.44 0.00 0.00 34.13 30.99 3ncm s GLU 68 CO 0.74 -0.04 0.00 0.41 0.95 0.00 0.00 175.26 177.31 3ncm n GLY 69 N 0.78 -1.25 2.79 -3.83 0.00 0.17 -4.94 105.19 98.90 3ncm n GLY 69 Ca 0.02 0.62 -0.16 0.00 0.00 0.00 0.00 46.02 46.51 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 -0.43 0.20 2.61 2.01 -1.26 -0.55 115.64 118.21 3ncm s THR 70 Ca 0.00 -0.39 -0.28 0.00 0.31 0.00 0.00 61.69 61.34 3ncm s THR 70 Cb 0.00 -0.93 -0.08 0.00 0.01 0.00 0.00 72.50 71.49 3ncm s THR 70 CO 0.00 -0.39 0.86 -0.31 -0.69 0.00 0.00 174.62 174.09 3ncm s TYR 71 N 2.39 3.94 -0.31 4.92 1.51 0.17 -3.94 117.35 126.03 3ncm s TYR 71 Ca 0.09 1.77 -0.11 0.00 -1.01 0.00 0.00 57.07 57.82 3ncm s TYR 71 Cb -0.14 -2.88 -0.02 0.00 -0.11 0.00 0.00 41.96 38.81 3ncm s TYR 71 CO -0.29 0.47 0.18 0.50 -1.11 0.00 0.00 175.55 175.30 3ncm s ARG 72 N -1.08 3.53 0.09 -0.62 3.52 -0.75 0.29 118.95 123.92 3ncm s ARG 72 Ca 0.39 -0.60 -0.30 0.00 -0.13 0.00 0.00 55.73 55.09 3ncm s ARG 72 Cb -0.24 -3.63 -0.05 0.00 -1.56 0.00 0.00 34.95 29.46 3ncm s ARG 72 CO 0.29 -0.36 1.00 0.00 -0.81 0.00 0.00 175.30 175.42 3ncm s GLU 74 N 0.25 0.93 -0.35 0.00 2.02 0.04 -0.47 118.70 121.12 3ncm s GLU 74 Ca 0.49 -1.61 -0.28 0.00 0.02 0.00 0.00 54.97 53.59 3ncm s GLU 74 Cb -0.24 -1.91 -0.01 0.00 0.10 0.00 0.00 34.13 32.07 3ncm s GLU 74 CO 0.30 -1.15 1.73 0.20 0.02 0.00 0.00 175.26 176.36 3ncm s GLY 75 N 0.82 0.84 -0.02 -1.39 0.00 0.19 0.01 107.32 107.77 3ncm s GLY 75 Ca 0.16 0.16 0.08 0.00 0.00 0.00 0.00 44.72 45.12 3ncm s GLY 75 CO -0.04 3.18 -0.25 -1.60 0.00 0.00 0.00 173.10 174.38 3ncm s ARG 76 N 5.56 2.04 -0.04 2.90 3.52 0.70 -0.81 118.95 132.81 3ncm s ARG 76 Ca 0.76 -0.91 0.06 0.00 -0.13 0.00 0.00 55.73 55.51 3ncm s ARG 76 Cb -0.21 -1.98 -0.02 0.00 -1.56 0.00 0.00 34.95 31.19 3ncm s ARG 76 CO 0.33 0.54 -0.23 0.42 -0.81 0.00 0.00 175.30 175.55 3ncm s ILE 77 N -0.60 2.24 -0.18 4.11 1.01 -0.70 -2.57 121.20 124.51 3ncm s ILE 77 Ca 0.10 -1.02 -0.11 0.00 0.00 0.00 0.00 60.65 59.62 3ncm s ILE 77 Cb -0.10 -1.81 -0.21 0.00 0.01 0.00 0.00 42.46 40.35 3ncm s ILE 77 CO -0.01 0.58 0.18 0.18 0.00 0.00 0.00 174.94 175.87 3ncm n LEU 78 N 2.66 2.35 0.38 2.97 4.77 -1.26 -1.85 117.00 127.03 3ncm n LEU 78 Ca -0.17 0.25 -0.18 0.00 -0.03 0.00 0.00 56.01 55.89 3ncm n LEU 78 Cb 0.52 -1.02 -0.09 0.00 -2.33 0.00 0.00 43.42 40.50 3ncm n LEU 78 CO 0.25 0.65 0.60 0.00 -1.33 0.00 0.00 177.39 177.55 3ncm h ALA 79 N -0.23 -0.95 -1.48 -1.18 0.00 -2.00 -3.13 119.26 110.29 3ncm h ALA 79 Ca -0.45 -0.22 -0.79 0.00 0.00 0.00 0.00 54.91 53.46 3ncm h ALA 79 Cb 1.74 0.37 -0.29 0.00 0.00 0.00 0.00 17.79 19.61 3ncm h ALA 79 CO -0.08 -1.01 0.82 0.54 0.00 0.00 0.00 179.25 179.52 3ncm n ARG 80 N -5.48 5.04 0.00 0.00 1.74 -1.26 -4.98 116.66 111.72 3ncm n ARG 80 Ca -0.14 -4.67 0.00 0.00 -0.77 0.00 0.00 57.85 52.27 3ncm n ARG 80 Cb 0.39 -2.45 0.00 0.00 -1.02 0.00 0.00 32.46 29.38 3ncm n ARG 80 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ncm n GLY 81 N 0.18 0.00 3.46 -0.13 0.00 -1.19 -4.74 105.19 102.78 3ncm n GLY 81 Ca 0.42 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.14 3ncm n GLY 81 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ncm s GLU 82 N 0.00 1.81 -0.40 1.61 2.12 -0.77 -4.93 118.70 118.13 3ncm s GLU 82 Ca 0.00 -1.15 0.09 0.00 0.36 0.00 0.00 54.97 54.28 3ncm s GLU 82 Cb 0.00 -2.10 0.29 0.00 0.26 0.00 0.00 34.13 32.58 3ncm s GLU 82 CO 0.00 0.49 0.63 0.44 -0.54 0.00 0.00 175.26 176.28 3ncm n ILE 83 N 1.03 -0.21 -2.28 -3.70 -5.35 -1.26 -1.72 119.36 105.88 3ncm n ILE 83 Ca -0.16 -4.34 -0.32 0.00 -0.27 0.00 0.00 62.75 57.66 3ncm n ILE 83 Cb 0.53 -1.32 -0.02 0.00 -1.74 0.00 0.00 39.64 37.09 3ncm n ILE 83 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 3ncm s ASN 84 N -1.79 6.47 0.24 7.28 -0.87 0.01 -4.88 114.94 121.40 3ncm s ASN 84 Ca 0.38 1.57 -0.16 0.00 -1.57 0.00 0.00 52.86 53.07 3ncm s ASN 84 Cb 0.24 -2.51 0.06 0.00 -0.02 0.00 0.00 41.25 39.02 3ncm s ASN 84 CO -0.09 -0.69 0.81 2.22 -2.57 0.00 0.00 177.10 176.77 3ncm n PHE 85 N -1.81 -1.67 -3.52 2.20 1.16 -1.26 0.55 117.46 113.11 3ncm n PHE 85 Ca 0.07 -1.33 -0.08 0.00 -1.87 0.00 0.00 57.45 54.24 3ncm n PHE 85 Cb 0.54 0.66 -0.02 0.00 -1.61 0.00 0.00 39.48 39.04 3ncm n PHE 85 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 3ncm s LYS 86 N -2.06 0.72 -0.35 3.97 1.02 0.38 -4.95 119.74 118.46 3ncm s LYS 86 Ca 0.17 -0.25 -0.11 0.00 0.02 0.00 0.00 55.97 55.81 3ncm s LYS 86 Cb -0.03 0.33 0.01 0.00 -0.52 0.00 0.00 37.83 37.62 3ncm s LYS 86 CO 0.07 -0.31 0.20 0.16 -0.92 0.00 0.00 175.35 174.55 3ncm s ASP 87 N -2.36 5.72 -0.34 2.83 -4.77 -1.26 -0.46 116.67 116.02 3ncm s ASP 87 Ca 0.05 -0.75 -0.14 0.00 -3.30 0.00 0.00 52.55 48.41 3ncm s ASP 87 Cb -0.01 -2.04 -0.01 0.00 -1.09 0.00 0.00 42.92 39.77 3ncm s ASP 87 CO -0.08 -0.30 0.29 -0.63 0.70 0.00 0.00 175.17 175.15 3ncm s ILE 88 N 1.60 5.24 -0.45 2.11 1.09 0.14 -4.83 121.20 126.10 3ncm s ILE 88 Ca 0.04 -0.12 -0.27 0.00 -1.10 0.00 0.00 60.65 59.20 3ncm s ILE 88 Cb -0.18 -3.76 0.03 0.00 -1.06 0.00 0.00 42.46 37.48 3ncm s ILE 88 CO 0.07 -0.05 1.01 -1.58 -0.10 0.00 0.00 174.94 174.29 3ncm s GLN 89 N 1.84 3.66 -0.13 2.79 0.74 0.19 0.43 119.66 129.19 3ncm s GLN 89 Ca 0.08 0.40 -0.04 0.00 0.05 0.00 0.00 55.36 55.85 3ncm s GLN 89 Cb -0.17 -3.90 -0.04 0.00 1.10 0.00 0.00 33.01 30.01 3ncm s GLN 89 CO 0.11 -1.23 0.03 0.08 -0.55 0.00 0.00 175.29 173.72 3ncm s VAL 90 N 3.98 4.52 0.22 1.34 1.01 0.28 0.14 120.40 131.89 3ncm s VAL 90 Ca 0.42 -0.15 0.09 0.00 0.00 0.00 0.00 61.98 62.33 3ncm s VAL 90 Cb -0.09 -2.96 -0.05 0.00 0.00 0.00 0.00 36.38 33.28 3ncm s VAL 90 CO 0.27 0.55 -0.16 -0.63 0.00 0.00 0.00 175.10 175.13 3ncm s ILE 91 N -0.37 1.94 0.00 2.22 1.09 -0.49 0.43 121.20 126.03 3ncm s ILE 91 Ca 0.08 -2.25 0.00 0.00 -1.10 0.00 0.00 60.65 57.38 3ncm s ILE 91 Cb -0.12 -2.10 0.00 0.00 -1.06 0.00 0.00 42.46 39.18 3ncm s ILE 91 CO 0.02 -0.53 0.00 0.55 -0.10 0.00 0.00 174.94 174.88