#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 -0.22 -0.20 -3.48 1.01 -1.23 -1.53 120.40 114.75 3ncm s VAL 2 Ca 0.00 -0.51 -0.04 0.00 0.00 0.00 0.00 61.98 61.43 3ncm s VAL 2 Cb 0.00 -0.89 -0.02 0.00 0.00 0.00 0.00 36.38 35.47 3ncm s VAL 2 CO 0.00 -0.52 -0.02 -0.04 0.00 0.00 0.00 175.10 174.52 3ncm s MET 3 N 2.22 3.51 -0.15 2.72 -1.94 -0.82 -4.85 119.30 119.99 3ncm s MET 3 Ca 0.08 -0.57 -0.29 0.00 -1.71 0.00 0.00 55.69 53.19 3ncm s MET 3 Cb -0.15 -3.03 -0.01 0.00 2.01 0.00 0.00 34.83 33.65 3ncm s MET 3 CO -0.29 -0.06 1.15 -0.06 -0.01 0.00 0.00 175.02 175.75 3ncm s PHE 4 N 1.15 3.16 0.11 -0.03 0.40 -1.26 0.57 117.98 122.08 3ncm s PHE 4 Ca 0.02 1.27 0.04 0.00 -0.60 0.00 0.00 56.93 57.66 3ncm s PHE 4 Cb -0.15 -3.38 -0.04 0.00 0.51 0.00 0.00 43.02 39.97 3ncm s PHE 4 CO 0.00 -1.07 -0.10 -1.59 0.70 0.00 0.00 175.22 173.17 3ncm s LYS 5 N 2.88 0.91 -0.80 0.44 -2.85 0.17 -4.93 119.74 115.56 3ncm s LYS 5 Ca 0.51 -1.26 -0.03 0.00 -1.00 0.00 0.00 55.97 54.20 3ncm s LYS 5 Cb -0.20 -0.53 0.00 0.00 -2.06 0.00 0.00 37.83 35.04 3ncm s LYS 5 CO 0.15 0.07 0.61 -1.71 0.10 0.00 0.00 175.35 174.56 3ncm n ASN 6 N 0.29 -4.85 -3.35 0.03 4.05 -1.26 -0.17 115.26 110.00 3ncm n ASN 6 Ca -0.14 -0.93 -0.26 0.00 0.45 0.00 0.00 54.58 53.70 3ncm n ASN 6 Cb 0.59 -1.62 -0.08 0.00 1.23 0.00 0.00 39.78 39.90 3ncm n ASN 6 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3ncm n ALA 7 N -2.48 3.23 -1.82 5.20 0.00 -1.26 -1.51 120.51 121.87 3ncm n ALA 7 Ca -0.31 -4.04 -0.42 0.00 0.00 0.00 0.00 53.44 48.67 3ncm n ALA 7 Cb 0.70 -0.86 -0.03 0.00 0.00 0.00 0.00 19.45 19.26 3ncm n ALA 7 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3ncm s PRO 8 N -1.66 3.10 0.00 0.00 0.05 -1.24 -4.92 135.00 130.33 3ncm s PRO 8 Ca 0.36 1.59 -0.03 0.00 0.05 0.00 0.00 61.00 62.98 3ncm s PRO 8 Cb 0.14 -4.31 -0.01 0.00 0.05 0.00 0.00 34.50 30.36 3ncm s PRO 8 CO -0.08 -2.14 0.88 1.79 0.05 0.00 0.00 177.00 177.50 3ncm h THR 9 N 7.02 0.00 -0.74 1.26 1.35 -1.88 -3.37 112.91 116.55 3ncm h THR 9 Ca -0.35 -0.01 -0.35 0.00 -0.55 0.00 0.00 66.41 65.14 3ncm h THR 9 Cb 1.20 0.00 -0.06 0.00 -1.73 0.00 0.00 68.15 67.57 3ncm h THR 9 CO 1.03 0.00 0.93 -2.16 -0.25 0.00 0.00 175.52 175.07 3ncm s PRO 10 N -2.89 2.74 0.41 4.72 0.05 -1.25 -0.21 135.00 138.56 3ncm s PRO 10 Ca -0.01 -0.58 0.08 0.00 0.05 0.00 0.00 61.00 60.53 3ncm s PRO 10 Cb 0.00 -5.14 0.00 0.00 0.05 0.00 0.00 34.50 29.41 3ncm s PRO 10 CO 0.04 -3.26 0.54 1.14 0.05 0.00 0.00 177.00 175.51 3ncm s GLN 11 N 6.56 2.83 -0.26 4.56 -2.07 0.22 -4.98 119.66 126.53 3ncm s GLN 11 Ca 0.66 -1.24 -0.10 0.00 -1.82 0.00 0.00 55.36 52.86 3ncm s GLN 11 Cb -0.05 -2.73 0.11 0.00 -1.09 0.00 0.00 33.01 29.25 3ncm s GLN 11 CO 0.00 -0.23 0.57 -1.83 -1.32 0.00 0.00 175.29 172.48 3ncm s GLU 12 N -4.31 0.51 0.21 9.60 -1.05 -1.26 -0.83 118.70 121.56 3ncm s GLU 12 Ca 0.53 1.25 0.01 0.00 -0.15 0.00 0.00 54.97 56.61 3ncm s GLU 12 Cb -0.09 0.53 0.01 0.00 -0.44 0.00 0.00 34.13 34.14 3ncm s GLU 12 CO 0.32 -0.20 0.08 1.19 0.95 0.00 0.00 175.26 177.59 3ncm n PHE 13 N 5.16 -0.30 -4.06 4.83 3.72 0.16 -4.91 117.46 122.07 3ncm n PHE 13 Ca -0.13 -0.95 -0.36 0.00 -0.05 0.00 0.00 57.45 55.96 3ncm n PHE 13 Cb 0.51 -0.15 -0.07 0.00 -0.94 0.00 0.00 39.48 38.83 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 -2.79 3.27 -0.02 -1.08 2.20 -1.26 -4.22 119.74 115.83 3ncm s LYS 14 Ca 0.06 -0.25 -0.30 0.00 -0.36 0.00 0.00 55.97 55.12 3ncm s LYS 14 Cb -0.00 -3.04 -0.08 0.00 -1.51 0.00 0.00 37.83 33.20 3ncm s LYS 14 CO 0.04 0.74 2.03 -1.83 -0.36 0.00 0.00 175.35 175.97 3ncm s GLU 15 N -1.05 3.91 0.00 4.03 -1.05 -1.26 -1.53 118.70 121.75 3ncm s GLU 15 Ca 0.15 2.49 0.00 0.00 -0.15 0.00 0.00 54.97 57.46 3ncm s GLU 15 Cb -0.12 -4.21 0.00 0.00 -0.44 0.00 0.00 34.13 29.36 3ncm s GLU 15 CO 0.04 -1.22 0.00 0.41 0.95 0.00 0.00 175.26 175.45 3ncm n GLY 16 N 4.82 0.80 3.62 -3.83 0.00 0.25 -5.03 105.19 105.83 3ncm n GLY 16 Ca 0.22 -0.51 -0.23 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.28 2.22 -0.73 1.61 2.12 0.17 -4.65 118.70 118.16 3ncm s GLU 17 Ca 0.00 -1.45 -0.27 0.00 0.36 0.00 0.00 54.97 53.61 3ncm s GLU 17 Cb 0.00 -2.12 0.03 0.00 0.26 0.00 0.00 34.13 32.30 3ncm s GLU 17 CO 0.00 0.37 1.30 -0.51 -0.54 0.00 0.00 175.26 175.88 3ncm s ASP 18 N -3.61 6.14 0.39 -1.70 1.11 -1.26 -0.12 116.67 117.61 3ncm s ASP 18 Ca 0.31 -0.39 0.08 0.00 0.18 0.00 0.00 52.55 52.73 3ncm s ASP 18 Cb -0.06 -2.56 -0.00 0.00 1.07 0.00 0.00 42.92 41.36 3ncm s ASP 18 CO 0.19 -1.85 0.49 0.00 1.18 0.00 0.00 175.17 175.18 3ncm s ALA 19 N 5.85 4.32 -0.06 5.23 0.00 0.88 -4.89 121.76 133.09 3ncm s ALA 19 Ca 0.37 -1.67 -0.05 0.00 0.00 0.00 0.00 51.96 50.61 3ncm s ALA 19 Cb -0.08 -1.48 0.02 0.00 0.00 0.00 0.00 23.12 21.58 3ncm s ALA 19 CO 0.16 -0.19 0.15 0.08 0.00 0.00 0.00 175.76 175.96 3ncm s VAL 20 N -2.33 -0.01 -0.33 0.00 1.01 -1.26 0.37 120.40 117.85 3ncm s VAL 20 Ca 0.50 0.05 -0.18 0.00 0.00 0.00 0.00 61.98 62.35 3ncm s VAL 20 Cb -0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 36.38 36.06 3ncm s VAL 20 CO 0.31 0.02 0.49 -0.63 0.00 0.00 0.00 175.10 175.29 3ncm s ILE 21 N 0.38 5.04 -0.30 2.22 1.01 -0.14 -4.84 121.20 124.58 3ncm s ILE 21 Ca -0.02 0.40 -0.29 0.00 0.00 0.00 0.00 60.65 60.73 3ncm s ILE 21 Cb -0.04 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.51 3ncm s ILE 21 CO -0.02 -0.15 1.27 -0.69 0.00 0.00 0.00 174.94 175.35 3ncm s VAL 22 N 2.34 4.20 -0.49 2.92 1.01 -1.26 -2.24 120.40 126.88 3ncm s VAL 22 Ca 0.18 1.37 0.06 0.00 0.00 0.00 0.00 61.98 63.59 3ncm s VAL 22 Cb -0.16 -4.19 0.19 0.00 0.00 0.00 0.00 36.38 32.23 3ncm s VAL 22 CO 0.12 -0.46 0.74 0.00 0.00 0.00 0.00 175.10 175.51 3ncm s ASP 24 N 1.01 7.09 -0.11 0.00 -1.08 0.76 -4.32 116.67 120.03 3ncm s ASP 24 Ca 0.28 1.72 -0.09 0.00 -0.52 0.00 0.00 52.55 53.94 3ncm s ASP 24 Cb 0.00 -2.55 0.03 0.00 -1.46 0.00 0.00 42.92 38.95 3ncm s ASP 24 CO -0.06 -0.23 0.28 -0.69 0.52 0.00 0.00 175.17 174.99 3ncm s VAL 25 N -1.94 -0.01 -0.88 1.11 1.01 -1.26 0.46 120.40 118.89 3ncm s VAL 25 Ca 0.57 0.03 -0.15 0.00 0.00 0.00 0.00 61.98 62.43 3ncm s VAL 25 Cb -0.13 -0.40 0.21 0.00 0.00 0.00 0.00 36.38 36.06 3ncm s VAL 25 CO 0.17 0.01 0.88 -0.69 0.00 0.00 0.00 175.10 175.48 3ncm s VAL 26 N 0.41 5.46 -0.02 2.92 1.01 0.19 -4.87 120.40 125.50 3ncm s VAL 26 Ca -0.02 -2.39 -0.15 0.00 0.00 0.00 0.00 61.98 59.43 3ncm s VAL 26 Cb -0.04 -4.55 -0.05 0.00 0.00 0.00 0.00 36.38 31.74 3ncm s VAL 26 CO -0.02 -1.15 0.40 -0.44 0.00 0.00 0.00 175.10 173.89 3ncm s SER 27 N 2.39 6.77 -0.08 3.32 0.01 -1.26 -1.94 113.70 122.90 3ncm s SER 27 Ca 0.23 0.91 0.14 0.00 1.31 0.00 0.00 55.95 58.54 3ncm s SER 27 Cb -0.09 -2.25 0.55 0.00 0.21 0.00 0.00 66.02 64.45 3ncm s SER 27 CO -0.09 0.29 1.42 -0.24 0.41 0.00 0.00 173.24 175.03 3ncm n SER 28 N 2.08 3.73 -4.17 2.44 2.88 -0.58 -4.95 113.62 115.05 3ncm n SER 28 Ca -0.13 -2.33 -0.11 0.00 -1.33 0.00 0.00 58.87 54.96 3ncm n SER 28 Cb 0.52 -0.50 -0.10 0.00 -0.75 0.00 0.00 64.21 63.39 3ncm n SER 28 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3ncm s LEU 29 N -1.51 1.34 0.23 2.46 1.43 -1.26 -4.87 118.68 116.51 3ncm s LEU 29 Ca 0.39 -1.29 -0.08 0.00 -1.03 0.00 0.00 54.13 52.12 3ncm s LEU 29 Cb 0.25 0.42 0.39 0.00 0.03 0.00 0.00 46.19 47.28 3ncm s LEU 29 CO 0.19 -0.81 1.66 -0.65 0.23 0.00 0.00 176.35 176.97 3ncm h PRO 30 N 2.70 0.14 0.00 1.29 0.10 -1.98 -3.43 132.00 130.82 3ncm h PRO 30 Ca -0.35 -0.01 0.00 0.00 0.10 0.00 0.00 66.00 65.74 3ncm h PRO 30 Cb 1.23 -0.03 0.00 0.00 0.10 0.00 0.00 31.00 32.30 3ncm h PRO 30 CO 0.55 0.09 0.00 -2.30 0.10 0.00 0.00 178.00 176.44 3ncm n PRO 31 N -5.27 0.12 0.00 1.05 -0.01 -1.26 -5.07 135.00 124.55 3ncm n PRO 31 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.61 3ncm n PRO 31 Cb 0.43 0.00 0.00 0.00 -0.01 0.00 0.00 33.50 33.92 3ncm n PRO 31 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 175.50 177.90 3ncm n THR 32 N -1.84 0.00 -1.82 3.45 -1.04 -0.62 -4.96 114.28 107.45 3ncm n THR 32 Ca 0.00 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.71 3ncm n THR 32 Cb 0.00 0.00 0.07 0.00 -1.82 0.00 0.00 70.33 68.58 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 -2.11 2.84 -0.07 12.58 2.07 -1.26 0.26 121.20 135.51 3ncm s ILE 33 Ca 0.00 0.27 0.02 0.00 -1.41 0.00 0.00 60.65 59.53 3ncm s ILE 33 Cb 0.00 -3.22 0.01 0.00 0.13 0.00 0.00 42.46 39.39 3ncm s ILE 33 CO 0.00 -0.35 -0.12 -0.63 -1.91 0.00 0.00 174.94 171.93 3ncm s ILE 34 N -3.40 1.12 -0.62 2.00 -1.09 0.10 -4.74 121.20 114.57 3ncm s ILE 34 Ca 0.60 -0.45 -0.19 0.00 -2.23 0.00 0.00 60.65 58.38 3ncm s ILE 34 Cb -0.12 -1.04 0.11 0.00 -1.58 0.00 0.00 42.46 39.83 3ncm s ILE 34 CO 0.51 0.36 0.76 0.26 -1.23 0.00 0.00 174.94 175.60 3ncm s TRP 35 N 0.82 2.99 0.00 3.97 0.52 -1.26 -1.00 118.94 124.98 3ncm s TRP 35 Ca -0.12 -0.97 0.00 0.00 0.02 0.00 0.00 56.10 55.03 3ncm s TRP 35 Cb -0.15 -4.06 0.00 0.00 -1.15 0.00 0.00 33.47 28.11 3ncm s TRP 35 CO 0.02 -1.34 0.00 1.17 0.02 0.00 0.00 176.95 176.82 3ncm n LYS 36 N 6.43 1.72 -0.98 4.98 4.81 -0.56 -0.20 118.16 134.36 3ncm n LYS 36 Ca -0.06 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.50 3ncm n LYS 36 Cb 0.43 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.43 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 -0.61 -2.60 -2.32 5.64 -0.00 -1.20 -1.88 115.22 112.25 3ncm n HIS 37 Ca 0.00 1.40 -0.17 0.00 0.46 0.00 0.00 57.72 59.41 3ncm n HIS 37 Cb 0.00 -2.36 -0.02 0.00 -0.12 0.00 0.00 29.99 27.49 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 -3.67 -1.86 0.00 1.57 0.00 -1.26 -3.65 118.16 109.28 3ncm n LYS 38 Ca -0.04 0.85 0.00 0.00 0.00 0.00 0.00 58.31 59.12 3ncm n LYS 38 Cb 0.46 -5.45 0.00 0.00 0.00 0.00 0.00 35.03 30.04 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 -0.86 0.90 7.00 3.14 0.00 -1.26 -5.05 105.19 109.06 3ncm n GLY 39 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 0.00 -1.76 1.61 5.12 -1.24 -4.50 116.66 115.88 3ncm n ARG 40 Ca 0.00 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.50 3ncm n ARG 40 Cb 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.27 3ncm n ARG 40 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3ncm s ASP 41 N -4.00 6.51 0.32 0.55 1.01 -1.26 -3.25 116.67 116.54 3ncm s ASP 41 Ca 0.00 2.56 0.14 0.00 0.71 0.00 0.00 52.55 55.96 3ncm s ASP 41 Cb 0.00 -2.53 0.51 0.00 1.01 0.00 0.00 42.92 41.91 3ncm s ASP 41 CO 0.00 -1.02 1.68 -0.37 0.21 0.00 0.00 175.17 175.67 3ncm h VAL 42 N 5.57 1.21 0.00 -1.27 -1.51 -0.81 -3.11 116.25 116.33 3ncm h VAL 42 Ca -0.47 -1.82 0.00 0.00 -1.23 0.00 0.00 66.70 63.18 3ncm h VAL 42 Cb 1.22 2.03 0.00 0.00 -2.13 0.00 0.00 31.29 32.41 3ncm h VAL 42 CO 0.94 0.49 0.03 0.40 -1.23 0.00 0.00 177.57 178.21 3ncm h ILE 43 N 0.00 0.00 0.00 7.19 2.04 -1.90 0.95 117.51 125.79 3ncm h ILE 43 Ca -0.01 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.76 3ncm h ILE 43 Cb 0.99 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 3ncm h ILE 43 CO 0.07 0.00 -1.30 0.18 0.00 0.00 0.00 178.15 177.09 3ncm n LEU 44 N -2.62 0.80 -0.10 1.44 4.32 -1.17 -4.31 117.00 115.36 3ncm n LEU 44 Ca -0.02 0.33 -0.16 0.00 -0.02 0.00 0.00 56.01 56.14 3ncm n LEU 44 Cb 0.08 0.03 -0.13 0.00 -1.62 0.00 0.00 43.42 41.77 3ncm n LEU 44 CO 0.14 0.01 -1.17 2.29 -1.22 0.00 0.00 177.39 177.44 3ncm n LYS 45 N -2.77 0.68 -3.92 3.23 2.85 -0.59 -5.02 118.16 112.61 3ncm n LYS 45 Ca -0.06 0.14 -0.32 0.00 -1.05 0.00 0.00 58.31 57.02 3ncm n LYS 45 Cb 0.72 -1.57 0.00 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 -3.16 -1.77 -0.73 -1.58 4.76 0.23 -4.91 118.16 111.00 3ncm n LYS 46 Ca -0.39 0.33 -0.32 0.00 -2.87 0.00 0.00 58.31 55.05 3ncm n LYS 46 Cb 1.04 -3.91 0.15 0.00 -1.84 0.00 0.00 35.03 30.47 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 -2.71 -1.99 0.33 4.39 9.92 -1.26 -4.82 116.55 120.40 3ncm n ASP 47 Ca -0.20 0.16 0.21 0.00 -0.53 0.00 0.00 54.79 54.42 3ncm n ASP 47 Cb 0.63 -1.15 1.11 0.00 -0.64 0.00 0.00 41.12 41.07 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 -1.82 0.07 -1.33 2.53 -1.51 -2.01 -2.74 116.25 109.44 3ncm h VAL 48 Ca -0.48 0.00 -0.62 0.00 -1.23 0.00 0.00 66.70 64.37 3ncm h VAL 48 Cb 1.31 0.93 -0.38 0.00 -2.13 0.00 0.00 31.29 31.02 3ncm h VAL 48 CO 0.37 0.00 -0.23 -2.11 -1.23 0.00 0.00 177.57 174.37 3ncm n ARG 49 N -3.15 3.27 -3.46 5.19 1.85 -1.26 -4.89 116.66 114.20 3ncm n ARG 49 Ca -0.03 -4.09 -0.17 0.00 -1.00 0.00 0.00 57.85 52.57 3ncm n ARG 49 Cb 0.14 -2.27 -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 -3.69 -0.37 -0.23 2.89 0.40 -1.03 -1.61 117.98 114.33 3ncm s PHE 50 Ca 0.52 0.23 -0.01 0.00 -0.60 0.00 0.00 56.93 57.06 3ncm s PHE 50 Cb 0.42 -0.33 0.07 0.00 0.51 0.00 0.00 43.02 43.69 3ncm s PHE 50 CO -0.15 -0.67 0.02 0.42 0.70 0.00 0.00 175.22 175.54 3ncm s ILE 51 N 2.36 0.96 0.15 0.64 1.01 -0.64 -4.68 121.20 121.00 3ncm s ILE 51 Ca 0.08 -0.98 -0.30 0.00 0.00 0.00 0.00 60.65 59.45 3ncm s ILE 51 Cb -0.15 -1.44 -0.07 0.00 0.01 0.00 0.00 42.46 40.80 3ncm s ILE 51 CO -0.16 -0.28 1.14 -0.69 0.00 0.00 0.00 174.94 174.95 3ncm s VAL 52 N 1.64 3.87 0.45 2.92 1.01 -1.26 -1.49 120.40 127.54 3ncm s VAL 52 Ca -0.00 1.53 -0.04 0.00 0.00 0.00 0.00 61.98 63.47 3ncm s VAL 52 Cb -0.18 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 3ncm s VAL 52 CO -0.11 0.22 0.73 -0.76 0.00 0.00 0.00 175.10 175.18 3ncm s LEU 53 N 0.02 3.70 0.65 3.92 1.43 0.26 -4.94 118.68 123.73 3ncm s LEU 53 Ca 0.52 0.77 0.44 0.00 -1.03 0.00 0.00 54.13 54.83 3ncm s LEU 53 Cb -0.30 -3.70 2.37 0.00 0.03 0.00 0.00 46.19 44.59 3ncm s LEU 53 CO 0.34 -0.54 2.34 0.77 0.23 0.00 0.00 176.35 179.49 3ncm h SER 54 N 0.34 0.00 -0.35 2.29 4.64 -1.96 -1.51 113.55 117.00 3ncm h SER 54 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3ncm h SER 54 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3ncm h SER 54 CO 0.61 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.11 3ncm n ASN 55 N -3.04 3.73 -1.13 4.97 6.94 -1.26 -4.90 115.26 120.57 3ncm n ASN 55 Ca -0.03 -2.51 -0.10 0.00 -0.02 0.00 0.00 54.58 51.92 3ncm n ASN 55 Cb 0.07 -0.59 -0.01 0.00 -2.36 0.00 0.00 39.78 36.90 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 0.41 -3.38 -4.81 0.53 4.13 -0.57 -4.24 115.26 107.32 3ncm n ASN 56 Ca 0.16 -0.00 -0.24 0.00 1.68 0.00 0.00 54.58 56.19 3ncm n ASN 56 Cb 0.78 -2.61 -0.05 0.00 -1.54 0.00 0.00 39.78 36.36 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 -2.49 3.13 -0.41 3.10 1.51 -1.25 -4.17 117.35 116.77 3ncm s TYR 57 Ca 0.00 -0.07 -0.00 0.00 -1.01 0.00 0.00 57.07 55.99 3ncm s TYR 57 Cb 0.00 -1.45 0.11 0.00 -0.11 0.00 0.00 41.96 40.51 3ncm s TYR 57 CO 0.00 0.52 0.17 -1.17 -1.11 0.00 0.00 175.55 173.96 3ncm s LEU 58 N -3.53 5.06 -0.68 -1.29 2.96 -0.95 -0.57 118.68 119.67 3ncm s LEU 58 Ca 0.32 -2.17 -0.27 0.00 -0.22 0.00 0.00 54.13 51.79 3ncm s LEU 58 Cb -0.09 -1.76 0.01 0.00 0.50 0.00 0.00 46.19 44.85 3ncm s LEU 58 CO 0.24 -0.47 1.51 -1.10 -1.32 0.00 0.00 176.35 175.21 3ncm s GLN 59 N 0.92 2.98 -0.25 1.98 -0.21 -0.55 -0.96 119.66 123.56 3ncm s GLN 59 Ca 0.10 0.11 -0.18 0.00 0.02 0.00 0.00 55.36 55.41 3ncm s GLN 59 Cb -0.22 -4.26 -0.03 0.00 1.00 0.00 0.00 33.01 29.51 3ncm s GLN 59 CO -0.05 -2.37 0.52 0.42 -2.12 0.00 0.00 175.29 171.69 3ncm s ILE 60 N 7.03 5.07 -0.36 1.08 1.01 0.16 -1.61 121.20 133.58 3ncm s ILE 60 Ca 0.48 0.91 -0.26 0.00 0.00 0.00 0.00 60.65 61.78 3ncm s ILE 60 Cb -0.10 -3.84 0.01 0.00 0.01 0.00 0.00 42.46 38.55 3ncm s ILE 60 CO 0.17 0.10 0.94 -0.60 0.00 0.00 0.00 174.94 175.55 3ncm s ARG 61 N 2.21 3.87 0.00 2.79 6.06 -0.63 -0.08 118.95 133.15 3ncm s ARG 61 Ca 0.22 0.63 0.00 0.00 -2.50 0.00 0.00 55.73 54.07 3ncm s ARG 61 Cb -0.16 -3.79 0.00 0.00 0.06 0.00 0.00 34.95 31.06 3ncm s ARG 61 CO 0.09 -0.94 0.00 0.41 -2.50 0.00 0.00 175.30 172.36 3ncm n GLY 62 N 4.33 3.08 2.85 8.12 0.00 0.82 -4.77 105.19 119.62 3ncm n GLY 62 Ca 0.07 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.18 -3.41 -0.61 0.13 -1.02 0.88 119.36 114.15 3ncm n ILE 63 Ca 0.00 0.14 -0.32 0.00 -1.10 0.00 0.00 62.75 61.47 3ncm n ILE 63 Cb 0.00 -2.41 -0.05 0.00 -0.84 0.00 0.00 39.64 36.34 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 -0.27 3.81 0.55 9.51 -0.14 -1.26 -2.36 119.74 129.57 3ncm s LYS 64 Ca 0.00 0.28 0.22 0.00 -1.36 0.00 0.00 55.97 55.11 3ncm s LYS 64 Cb 0.00 -2.64 1.48 0.00 -1.68 0.00 0.00 37.83 34.99 3ncm s LYS 64 CO 0.00 0.31 2.17 1.57 -0.76 0.00 0.00 175.35 178.64 3ncm h LYS 65 N 2.53 0.00 0.00 1.68 2.10 -1.92 0.61 116.57 121.56 3ncm h LYS 65 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 3ncm h LYS 65 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 3ncm h LYS 65 CO 0.69 0.00 0.00 -2.37 -2.00 0.00 0.00 179.45 175.77 3ncm n THR 66 N -4.27 0.77 1.02 0.07 5.66 -1.26 -2.71 114.28 113.56 3ncm n THR 66 Ca -0.02 0.11 0.11 0.00 -3.05 0.00 0.00 64.05 61.20 3ncm n THR 66 Cb 0.13 -1.05 -0.01 0.00 -1.55 0.00 0.00 70.33 67.86 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 -2.29 1.63 -4.77 1.09 8.00 0.20 -4.97 116.55 115.43 3ncm n ASP 67 Ca 0.03 -1.29 -0.30 0.00 0.71 0.00 0.00 54.79 53.93 3ncm n ASP 67 Cb 0.28 0.61 0.09 0.00 -0.02 0.00 0.00 41.12 42.08 3ncm n ASP 67 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 3ncm s GLU 68 N -2.65 2.12 0.00 -1.24 -1.05 -1.10 -4.86 118.70 109.92 3ncm s GLU 68 Ca 0.16 0.93 0.00 0.00 -0.15 0.00 0.00 54.97 55.91 3ncm s GLU 68 Cb 0.18 -1.90 0.00 0.00 -0.44 0.00 0.00 34.13 31.97 3ncm s GLU 68 CO 0.66 -1.67 0.00 0.41 0.95 0.00 0.00 175.26 175.61 3ncm n GLY 69 N -1.54 -0.42 2.65 -3.83 0.00 0.06 -4.97 105.19 97.14 3ncm n GLY 69 Ca 0.08 0.08 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.22 0.09 2.61 2.01 -1.26 -1.17 115.64 117.69 3ncm s THR 70 Ca 0.00 -0.69 -0.30 0.00 0.31 0.00 0.00 61.69 61.01 3ncm s THR 70 Cb 0.00 -0.98 -0.05 0.00 0.01 0.00 0.00 72.50 71.48 3ncm s THR 70 CO 0.00 -0.62 0.99 -0.31 -0.69 0.00 0.00 174.62 173.99 3ncm s TYR 71 N 2.15 3.74 -0.28 4.92 1.51 0.18 -4.43 117.35 125.14 3ncm s TYR 71 Ca 0.10 1.74 -0.15 0.00 -1.01 0.00 0.00 57.07 57.74 3ncm s TYR 71 Cb -0.15 -3.11 -0.03 0.00 -0.11 0.00 0.00 41.96 38.56 3ncm s TYR 71 CO -0.32 0.01 0.39 0.50 -1.11 0.00 0.00 175.55 175.02 3ncm s ARG 72 N 0.24 3.97 -0.04 -0.62 3.52 -0.79 -0.62 118.95 124.62 3ncm s ARG 72 Ca 0.49 0.02 -0.28 0.00 -0.13 0.00 0.00 55.73 55.83 3ncm s ARG 72 Cb -0.24 -3.67 -0.03 0.00 -1.56 0.00 0.00 34.95 29.45 3ncm s ARG 72 CO 0.30 -0.32 0.90 0.00 -0.81 0.00 0.00 175.30 175.37 3ncm s GLU 74 N 1.13 1.26 -0.42 0.00 2.02 -0.17 -0.42 118.70 122.09 3ncm s GLU 74 Ca 0.47 -2.13 -0.27 0.00 0.02 0.00 0.00 54.97 53.06 3ncm s GLU 74 Cb -0.20 -2.11 -0.07 0.00 0.10 0.00 0.00 34.13 31.85 3ncm s GLU 74 CO 0.23 -1.24 2.36 0.41 0.02 0.00 0.00 175.26 177.04 3ncm n GLY 75 N 3.21 0.42 3.20 -1.39 0.00 0.24 0.03 105.19 110.90 3ncm n GLY 75 Ca 0.16 0.73 -0.31 0.00 0.00 0.00 0.00 46.02 46.60 3ncm n GLY 75 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ncm s ARG 76 N 7.63 2.91 -0.01 1.61 3.52 0.14 -1.02 118.95 133.75 3ncm s ARG 76 Ca 1.01 -0.83 0.04 0.00 -0.13 0.00 0.00 55.73 55.82 3ncm s ARG 76 Cb -0.31 -2.22 -0.01 0.00 -1.56 0.00 0.00 34.95 30.86 3ncm s ARG 76 CO 0.31 0.16 -0.11 0.42 -0.81 0.00 0.00 175.30 175.26 3ncm s ILE 77 N 0.39 0.90 -0.22 4.11 1.09 -0.75 -1.59 121.20 125.13 3ncm s ILE 77 Ca -0.18 -0.50 -0.12 0.00 -1.10 0.00 0.00 60.65 58.75 3ncm s ILE 77 Cb -0.18 -0.75 -0.18 0.00 -1.06 0.00 0.00 42.46 40.29 3ncm s ILE 77 CO 0.08 0.24 -0.02 0.18 -0.10 0.00 0.00 174.94 175.32 3ncm n LEU 78 N 2.77 2.25 0.09 2.97 4.77 -1.26 -1.71 117.00 126.88 3ncm n LEU 78 Ca -0.14 0.25 -0.13 0.00 -0.03 0.00 0.00 56.01 55.97 3ncm n LEU 78 Cb 0.56 -0.94 -0.06 0.00 -2.33 0.00 0.00 43.42 40.66 3ncm n LEU 78 CO 0.25 0.61 0.66 0.00 -1.33 0.00 0.00 177.39 177.57 3ncm h ALA 79 N -0.46 -0.48 -1.26 -1.18 0.00 -1.99 -2.24 119.26 111.65 3ncm h ALA 79 Ca -0.52 -0.03 -0.80 0.00 0.00 0.00 0.00 54.91 53.55 3ncm h ALA 79 Cb 1.65 0.51 -0.27 0.00 0.00 0.00 0.00 17.79 19.68 3ncm h ALA 79 CO -0.20 -0.83 1.00 0.54 0.00 0.00 0.00 179.25 179.75 3ncm n ARG 80 N -5.41 5.22 0.00 0.00 5.12 -1.26 -4.97 116.66 115.36 3ncm n ARG 80 Ca -0.06 -4.59 0.00 0.00 -1.93 0.00 0.00 57.85 51.27 3ncm n ARG 80 Cb 0.32 -2.45 0.00 0.00 -1.16 0.00 0.00 32.46 29.17 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 -0.10 0.00 3.21 -0.13 0.00 -0.84 -4.81 105.19 102.52 3ncm n GLY 81 Ca 0.47 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.24 3ncm n GLY 81 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ncm s GLU 82 N 0.00 1.47 -0.41 1.61 2.02 -0.69 -5.00 118.70 117.70 3ncm s GLU 82 Ca 0.00 -0.77 0.10 0.00 0.02 0.00 0.00 54.97 54.31 3ncm s GLU 82 Cb 0.00 -1.48 0.30 0.00 0.10 0.00 0.00 34.13 33.05 3ncm s GLU 82 CO 0.00 0.40 0.66 0.44 0.02 0.00 0.00 175.26 176.78 3ncm n ILE 83 N 2.33 -0.02 -2.25 -1.63 -5.35 -1.25 -1.81 119.36 109.38 3ncm n ILE 83 Ca -0.16 -4.46 -0.32 0.00 -0.27 0.00 0.00 62.75 57.54 3ncm n ILE 83 Cb 0.53 -1.14 -0.02 0.00 -1.74 0.00 0.00 39.64 37.28 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 -2.00 6.48 0.33 7.28 -0.87 -0.18 -4.86 114.94 121.13 3ncm s ASN 84 Ca 0.39 1.54 -0.18 0.00 -1.57 0.00 0.00 52.86 53.04 3ncm s ASN 84 Cb 0.26 -2.50 0.04 0.00 -0.02 0.00 0.00 41.25 39.03 3ncm s ASN 84 CO -0.09 -0.69 0.78 0.72 -2.57 0.00 0.00 177.10 175.26 3ncm s PHE 85 N -2.76 0.00 -0.06 2.20 -0.12 -1.26 0.82 117.98 116.80 3ncm s PHE 85 Ca 0.58 -0.58 -0.29 0.00 -0.05 0.00 0.00 56.93 56.59 3ncm s PHE 85 Cb -0.10 0.78 0.11 0.00 -0.63 0.00 0.00 43.02 43.18 3ncm s PHE 85 CO 0.37 -1.40 0.89 0.15 -0.05 0.00 0.00 175.22 175.18 3ncm s LYS 86 N -2.88 0.78 -0.36 1.99 1.02 0.44 -4.96 119.74 115.77 3ncm s LYS 86 Ca 0.14 -0.06 -0.14 0.00 0.02 0.00 0.00 55.97 55.93 3ncm s LYS 86 Cb -0.05 0.36 -0.01 0.00 -0.52 0.00 0.00 37.83 37.62 3ncm s LYS 86 CO 0.09 -0.30 0.27 0.16 -0.92 0.00 0.00 175.35 174.66 3ncm s ASP 87 N -1.79 6.09 -0.24 2.83 -4.77 -1.26 -0.26 116.67 117.27 3ncm s ASP 87 Ca 0.00 -0.52 -0.09 0.00 -3.30 0.00 0.00 52.55 48.64 3ncm s ASP 87 Cb -0.01 -2.15 -0.04 0.00 -1.09 0.00 0.00 42.92 39.63 3ncm s ASP 87 CO -0.03 -0.30 0.12 -0.63 0.70 0.00 0.00 175.17 175.04 3ncm s ILE 88 N 1.75 4.94 -0.26 2.11 1.09 0.21 -4.82 121.20 126.23 3ncm s ILE 88 Ca 0.06 0.04 -0.18 0.00 -1.10 0.00 0.00 60.65 59.47 3ncm s ILE 88 Cb -0.18 -3.30 -0.03 0.00 -1.06 0.00 0.00 42.46 37.89 3ncm s ILE 88 CO 0.11 0.34 0.53 -1.58 -0.10 0.00 0.00 174.94 174.24 3ncm s GLN 89 N 1.25 4.08 -0.07 2.79 0.74 0.71 0.47 119.66 129.63 3ncm s GLN 89 Ca 0.06 0.36 -0.01 0.00 0.05 0.00 0.00 55.36 55.82 3ncm s GLN 89 Cb -0.14 -3.65 -0.03 0.00 1.10 0.00 0.00 33.01 30.29 3ncm s GLN 89 CO 0.05 -0.34 -0.01 0.08 -0.55 0.00 0.00 175.29 174.51 3ncm s VAL 90 N 2.28 4.17 0.07 1.34 1.01 -0.32 0.69 120.40 129.65 3ncm s VAL 90 Ca 0.22 -0.33 0.07 0.00 0.00 0.00 0.00 61.98 61.94 3ncm s VAL 90 Cb -0.16 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 3ncm s VAL 90 CO 0.09 0.58 -0.19 -0.63 0.00 0.00 0.00 175.10 174.95 3ncm s ILE 91 N -0.89 1.55 0.00 2.22 -1.09 -0.01 -0.76 121.20 122.21 3ncm s ILE 91 Ca 0.14 -1.32 0.00 0.00 -2.23 0.00 0.00 60.65 57.24 3ncm s ILE 91 Cb -0.11 -1.39 0.00 0.00 -1.58 0.00 0.00 42.46 39.38 3ncm s ILE 91 CO 0.03 0.03 0.00 0.52 -1.23 0.00 0.00 174.94 174.29