#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 -0.43 -0.33 -3.48 1.01 -1.22 0.59 120.40 116.53 3ncm s VAL 2 Ca 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 61.98 62.01 3ncm s VAL 2 Cb 0.00 -0.62 0.07 0.00 0.00 0.00 0.00 36.38 35.83 3ncm s VAL 2 CO 0.00 -0.06 0.06 -0.04 0.00 0.00 0.00 175.10 175.06 3ncm s MET 3 N 2.42 2.24 -0.07 2.72 -1.94 -0.75 -4.85 119.30 119.06 3ncm s MET 3 Ca 0.06 -1.46 -0.30 0.00 -1.71 0.00 0.00 55.69 52.28 3ncm s MET 3 Cb -0.14 -3.28 -0.06 0.00 2.01 0.00 0.00 34.83 33.36 3ncm s MET 3 CO -0.12 -0.76 1.70 -0.06 -0.01 0.00 0.00 175.02 175.77 3ncm s PHE 4 N 1.19 1.90 0.12 -0.03 0.40 -1.26 -0.35 117.98 119.95 3ncm s PHE 4 Ca -0.00 0.17 0.05 0.00 -0.60 0.00 0.00 56.93 56.55 3ncm s PHE 4 Cb -0.20 -3.96 -0.04 0.00 0.51 0.00 0.00 43.02 39.33 3ncm s PHE 4 CO -0.02 -3.93 -0.12 -1.59 0.70 0.00 0.00 175.22 170.25 3ncm s LYS 5 N 4.21 0.99 -0.10 0.44 -2.85 0.16 -4.96 119.74 117.64 3ncm s LYS 5 Ca 0.75 -1.27 -0.09 0.00 -1.00 0.00 0.00 55.97 54.37 3ncm s LYS 5 Cb -0.33 -0.74 0.01 0.00 -2.06 0.00 0.00 37.83 34.71 3ncm s LYS 5 CO 0.31 0.12 0.14 -1.71 0.10 0.00 0.00 175.35 174.32 3ncm n ASN 6 N 0.35 -6.04 -3.12 0.03 5.15 -1.26 -1.11 115.26 109.26 3ncm n ASN 6 Ca -0.14 0.26 -0.17 0.00 -0.60 0.00 0.00 54.58 53.93 3ncm n ASN 6 Cb 0.58 -1.51 -0.02 0.00 -0.53 0.00 0.00 39.78 38.31 3ncm n ASN 6 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ncm n ALA 7 N 0.93 1.61 -1.79 5.20 0.00 -1.26 -1.36 120.51 123.85 3ncm n ALA 7 Ca -0.02 -3.10 -0.25 0.00 0.00 0.00 0.00 53.44 50.06 3ncm n ALA 7 Cb 0.52 -0.95 -0.05 0.00 0.00 0.00 0.00 19.45 18.96 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 -1.87 2.14 0.25 0.00 0.05 -1.26 -4.83 135.00 129.48 3ncm s PRO 8 Ca 0.37 0.42 -0.03 0.00 0.05 0.00 0.00 61.00 61.82 3ncm s PRO 8 Cb 0.32 -4.78 0.48 0.00 0.05 0.00 0.00 34.50 30.57 3ncm s PRO 8 CO -0.08 -3.65 1.77 1.79 0.05 0.00 0.00 177.00 176.88 3ncm h THR 9 N 7.43 0.77 -1.41 1.26 1.35 -1.89 -3.34 112.91 117.09 3ncm h THR 9 Ca -0.05 -0.22 -0.65 0.00 -0.55 0.00 0.00 66.41 64.94 3ncm h THR 9 Cb 1.07 0.07 -0.12 0.00 -1.73 0.00 0.00 68.15 67.45 3ncm h THR 9 CO 1.13 0.12 1.53 -2.16 -0.25 0.00 0.00 175.52 175.89 3ncm s PRO 10 N -6.00 3.74 0.44 4.72 0.05 -1.25 0.13 135.00 136.84 3ncm s PRO 10 Ca -0.12 -1.61 0.08 0.00 0.05 0.00 0.00 61.00 59.40 3ncm s PRO 10 Cb 0.21 -5.29 0.02 0.00 0.05 0.00 0.00 34.50 29.49 3ncm s PRO 10 CO 0.78 -2.09 0.60 1.14 0.05 0.00 0.00 177.00 177.47 3ncm s GLN 11 N 4.00 2.75 -0.25 4.56 -2.07 0.15 -4.98 119.66 123.83 3ncm s GLN 11 Ca 0.45 -1.30 -0.08 0.00 -1.82 0.00 0.00 55.36 52.61 3ncm s GLN 11 Cb -0.00 -2.74 0.11 0.00 -1.09 0.00 0.00 33.01 29.29 3ncm s GLN 11 CO -0.04 -0.35 0.53 -1.83 -1.32 0.00 0.00 175.29 172.28 3ncm s GLU 12 N -4.39 0.45 0.06 9.60 -1.05 -1.26 -1.71 118.70 120.40 3ncm s GLU 12 Ca 0.56 1.23 0.00 0.00 -0.15 0.00 0.00 54.97 56.61 3ncm s GLU 12 Cb -0.09 0.59 0.00 0.00 -0.44 0.00 0.00 34.13 34.19 3ncm s GLU 12 CO 0.34 -0.23 0.02 1.19 0.95 0.00 0.00 175.26 177.52 3ncm n PHE 13 N 5.42 -0.43 -4.14 4.83 3.01 -0.47 -4.97 117.46 120.71 3ncm n PHE 13 Ca -0.10 -0.28 -0.36 0.00 1.01 0.00 0.00 57.45 57.72 3ncm n PHE 13 Cb 0.49 -0.04 -0.08 0.00 -0.01 0.00 0.00 39.48 39.84 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 -2.22 3.23 0.14 -1.08 2.20 -1.26 -4.48 119.74 116.26 3ncm s LYS 14 Ca 0.01 -0.28 -0.31 0.00 -0.36 0.00 0.00 55.97 55.03 3ncm s LYS 14 Cb -0.00 -2.99 -0.11 0.00 -1.51 0.00 0.00 37.83 33.22 3ncm s LYS 14 CO 0.01 0.72 1.83 -0.85 -0.36 0.00 0.00 175.35 176.70 3ncm n GLU 15 N 2.13 2.81 -1.23 4.03 0.28 -1.24 -1.64 120.64 125.79 3ncm n GLU 15 Ca -0.19 1.02 -0.01 0.00 -0.16 0.00 0.00 57.16 57.82 3ncm n GLU 15 Cb 0.54 -2.91 -0.00 0.00 1.43 0.00 0.00 31.44 30.49 3ncm n GLU 15 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3ncm n GLY 16 N 4.21 0.42 3.64 -1.84 0.00 0.30 -5.02 105.19 106.90 3ncm n GLY 16 Ca 0.18 -1.02 -0.23 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.47 2.24 -0.76 1.61 2.56 0.12 -4.58 118.70 117.41 3ncm s GLU 17 Ca 0.00 -1.48 -0.26 0.00 0.00 0.00 0.00 54.97 53.23 3ncm s GLU 17 Cb 0.00 -2.12 0.02 0.00 2.00 0.00 0.00 34.13 34.04 3ncm s GLU 17 CO 0.00 0.32 1.40 -0.51 -0.56 0.00 0.00 175.26 175.91 3ncm s ASP 18 N -3.68 6.05 0.50 -1.70 1.11 -1.26 0.37 116.67 118.06 3ncm s ASP 18 Ca 0.32 -0.48 0.08 0.00 0.18 0.00 0.00 52.55 52.65 3ncm s ASP 18 Cb -0.05 -2.56 0.05 0.00 1.07 0.00 0.00 42.92 41.43 3ncm s ASP 18 CO 0.20 -1.90 0.69 0.00 1.18 0.00 0.00 175.17 175.34 3ncm s ALA 19 N 6.22 4.55 -0.06 5.23 0.00 0.15 -4.88 121.76 132.96 3ncm s ALA 19 Ca 0.42 -1.86 -0.07 0.00 0.00 0.00 0.00 51.96 50.44 3ncm s ALA 19 Cb -0.08 -1.59 0.02 0.00 0.00 0.00 0.00 23.12 21.47 3ncm s ALA 19 CO 0.12 -0.60 0.20 0.08 0.00 0.00 0.00 175.76 175.56 3ncm s VAL 20 N -2.54 0.01 -0.32 0.00 1.01 -1.26 -0.16 120.40 117.15 3ncm s VAL 20 Ca 0.58 -0.10 -0.16 0.00 0.00 0.00 0.00 61.98 62.31 3ncm s VAL 20 Cb -0.08 -0.31 -0.02 0.00 0.00 0.00 0.00 36.38 35.97 3ncm s VAL 20 CO 0.36 -0.05 0.40 -0.63 0.00 0.00 0.00 175.10 175.17 3ncm s ILE 21 N -0.12 5.14 -0.15 2.22 1.01 0.23 -4.85 121.20 124.67 3ncm s ILE 21 Ca -0.02 0.28 -0.29 0.00 0.00 0.00 0.00 60.65 60.61 3ncm s ILE 21 Cb -0.02 -3.81 -0.01 0.00 0.01 0.00 0.00 42.46 38.62 3ncm s ILE 21 CO 0.01 -0.04 1.22 -0.69 0.00 0.00 0.00 174.94 175.44 3ncm s VAL 22 N 2.11 4.34 -0.35 2.92 1.01 -1.26 -2.29 120.40 126.89 3ncm s VAL 22 Ca 0.14 1.62 0.01 0.00 0.00 0.00 0.00 61.98 63.76 3ncm s VAL 22 Cb -0.16 -4.05 0.19 0.00 0.00 0.00 0.00 36.38 32.36 3ncm s VAL 22 CO 0.11 -0.12 0.76 0.00 0.00 0.00 0.00 175.10 175.86 3ncm s ASP 24 N 2.26 6.91 -0.11 0.00 1.01 -0.27 -4.35 116.67 122.12 3ncm s ASP 24 Ca 0.16 1.08 -0.06 0.00 0.71 0.00 0.00 52.55 54.44 3ncm s ASP 24 Cb -0.04 -2.30 0.04 0.00 1.01 0.00 0.00 42.92 41.63 3ncm s ASP 24 CO -0.15 0.27 0.26 -0.69 0.21 0.00 0.00 175.17 175.07 3ncm s VAL 25 N -0.94 -0.03 -1.18 -1.27 1.01 -1.26 0.39 120.40 117.11 3ncm s VAL 25 Ca 0.26 0.11 -0.09 0.00 0.00 0.00 0.00 61.98 62.27 3ncm s VAL 25 Cb -0.18 -0.40 0.23 0.00 0.00 0.00 0.00 36.38 36.03 3ncm s VAL 25 CO 0.16 0.05 1.54 0.52 0.00 0.00 0.00 175.10 177.37 3ncm n VAL 26 N 3.98 4.63 -1.63 2.92 0.31 0.52 -4.85 118.33 124.22 3ncm n VAL 26 Ca -0.23 -5.05 -0.30 0.00 -0.01 0.00 0.00 64.34 58.75 3ncm n VAL 26 Cb 0.54 -2.35 0.09 0.00 -0.91 0.00 0.00 33.84 31.21 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 0.68 4.50 0.00 4.52 0.01 -1.26 -1.81 113.70 120.34 3ncm s SER 27 Ca 0.37 1.18 0.00 0.00 1.31 0.00 0.00 55.95 58.81 3ncm s SER 27 Cb 0.02 -1.89 0.00 0.00 0.21 0.00 0.00 66.02 64.36 3ncm s SER 27 CO 0.02 -1.95 0.36 -0.24 0.41 0.00 0.00 173.24 171.84 3ncm n SER 28 N -3.41 0.00 0.11 2.44 2.88 0.20 -4.78 113.62 111.07 3ncm n SER 28 Ca 0.07 0.36 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 3ncm n SER 28 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 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 -0.59 -2.04 0.20 2.46 4.77 -1.26 -4.89 117.00 115.65 3ncm n LEU 29 Ca 0.00 0.55 -0.15 0.00 -0.03 0.00 0.00 56.01 56.38 3ncm n LEU 29 Cb 0.00 2.10 -0.08 0.00 -2.33 0.00 0.00 43.42 43.11 3ncm n LEU 29 CO 0.00 0.05 0.76 1.55 -1.33 0.00 0.00 177.39 178.42 3ncm h PRO 30 N 0.00 -0.42 0.00 3.23 0.14 -2.00 -3.44 132.00 129.51 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 -0.27 0.00 -0.35 0.14 0.00 0.00 178.00 177.52 3ncm n PRO 31 N -5.27 -0.22 -0.71 1.56 -0.05 -1.26 -5.09 135.00 123.95 3ncm n PRO 31 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.35 3ncm n PRO 31 Cb 0.19 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.64 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 -1.74 0.00 -4.08 0.52 -1.04 -1.06 -4.96 114.28 101.92 3ncm n THR 32 Ca 0.00 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.66 3ncm n THR 32 Cb 0.00 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.43 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 -2.41 4.88 -0.20 12.58 2.07 -1.26 -0.56 121.20 136.30 3ncm s ILE 33 Ca 0.00 -0.02 -0.09 0.00 -1.41 0.00 0.00 60.65 59.13 3ncm s ILE 33 Cb 0.00 -3.13 -0.05 0.00 0.13 0.00 0.00 42.46 39.41 3ncm s ILE 33 CO 0.00 0.56 0.12 -0.63 -1.91 0.00 0.00 174.94 173.07 3ncm s ILE 34 N -0.47 5.28 -0.50 2.00 1.09 0.11 -4.82 121.20 123.89 3ncm s ILE 34 Ca 0.10 0.14 -0.22 0.00 -1.10 0.00 0.00 60.65 59.57 3ncm s ILE 34 Cb -0.12 -3.40 0.04 0.00 -1.06 0.00 0.00 42.46 37.92 3ncm s ILE 34 CO 0.02 0.45 0.78 0.26 -0.10 0.00 0.00 174.94 176.34 3ncm s TRP 35 N 0.35 2.95 0.00 3.97 0.52 -1.26 -0.76 118.94 124.71 3ncm s TRP 35 Ca 0.07 -0.12 0.00 0.00 0.02 0.00 0.00 56.10 56.07 3ncm s TRP 35 Cb -0.11 -3.73 0.00 0.00 -1.15 0.00 0.00 33.47 28.48 3ncm s TRP 35 CO -0.02 -1.11 0.00 1.63 0.02 0.00 0.00 176.95 177.48 3ncm n LYS 36 N 6.77 2.36 -1.03 4.98 5.02 -0.15 -1.84 118.16 134.26 3ncm n LYS 36 Ca -0.01 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.41 3ncm n LYS 36 Cb 0.47 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.42 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 -0.30 -2.74 -1.77 2.13 -0.00 -1.13 -1.73 115.22 109.68 3ncm n HIS 37 Ca 0.00 1.49 -0.16 0.00 0.46 0.00 0.00 57.72 59.51 3ncm n HIS 37 Cb 0.00 -2.49 -0.05 0.00 -0.12 0.00 0.00 29.99 27.33 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 -3.70 -1.55 0.00 1.57 3.00 -1.26 -4.03 118.16 112.18 3ncm n LYS 38 Ca -0.06 0.91 0.00 0.00 -0.00 0.00 0.00 58.31 59.16 3ncm n LYS 38 Cb 0.49 -5.31 0.00 0.00 0.00 0.00 0.00 35.03 30.20 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 -0.49 0.00 5.02 3.14 0.00 -1.26 -4.99 105.19 106.61 3ncm n GLY 39 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.82 1.61 3.00 -1.26 -4.52 116.66 111.68 3ncm n ARG 40 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.85 57.72 3ncm n ARG 40 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.34 3ncm n ARG 40 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3ncm s ASP 41 N -2.16 -0.16 -0.18 0.55 1.11 -1.26 -2.82 116.67 111.74 3ncm s ASP 41 Ca 0.00 0.31 0.04 0.00 0.18 0.00 0.00 52.55 53.08 3ncm s ASP 41 Cb 0.00 0.33 -0.22 0.00 1.07 0.00 0.00 42.92 44.10 3ncm s ASP 41 CO 0.00 -0.07 0.12 1.33 1.18 0.00 0.00 175.17 177.73 3ncm n VAL 42 N 2.93 1.57 0.24 -1.27 0.24 -0.77 -4.24 118.33 117.03 3ncm n VAL 42 Ca -0.13 -0.68 0.16 0.00 -2.04 0.00 0.00 64.34 61.65 3ncm n VAL 42 Cb 0.59 -1.27 0.83 0.00 -1.47 0.00 0.00 33.84 32.52 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 2.04 -1.98 0.18 117.51 119.12 3ncm h ILE 43 Ca -0.49 -0.02 -0.07 0.00 1.00 0.00 0.00 64.86 65.28 3ncm h ILE 43 Cb 2.02 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 38.81 3ncm h ILE 43 CO 0.01 0.00 -1.29 0.18 0.00 0.00 0.00 178.15 177.04 3ncm n LEU 44 N -2.59 0.74 -0.10 1.44 4.32 -1.26 -4.30 117.00 115.26 3ncm n LEU 44 Ca -0.02 0.30 -0.15 0.00 -0.02 0.00 0.00 56.01 56.12 3ncm n LEU 44 Cb 0.06 0.01 -0.14 0.00 -1.62 0.00 0.00 43.42 41.73 3ncm n LEU 44 CO 0.14 -0.03 -1.20 2.29 -1.22 0.00 0.00 177.39 177.37 3ncm n LYS 45 N -2.71 0.67 -3.87 3.23 2.85 -0.62 -5.02 118.16 112.69 3ncm n LYS 45 Ca -0.05 0.12 -0.30 0.00 -1.05 0.00 0.00 58.31 57.03 3ncm n LYS 45 Cb 0.67 -1.55 0.01 0.00 -0.65 0.00 0.00 35.03 33.51 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 -3.11 -2.10 -0.64 -1.58 4.76 0.55 -4.93 118.16 111.11 3ncm n LYS 46 Ca -0.39 0.38 -0.32 0.00 -2.87 0.00 0.00 58.31 55.12 3ncm n LYS 46 Cb 1.05 -4.13 0.19 0.00 -1.84 0.00 0.00 35.03 30.29 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 -2.77 -2.26 0.19 4.39 9.92 -1.26 -4.83 116.55 119.93 3ncm n ASP 47 Ca -0.20 -0.13 0.14 0.00 -0.53 0.00 0.00 54.79 54.07 3ncm n ASP 47 Cb 0.64 -1.02 0.67 0.00 -0.64 0.00 0.00 41.12 40.77 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 -2.18 0.00 -1.14 2.53 -1.51 -2.01 -3.08 116.25 108.86 3ncm h VAL 48 Ca -0.55 -0.11 -0.57 0.00 -1.23 0.00 0.00 66.70 64.24 3ncm h VAL 48 Cb 1.35 0.79 -0.42 0.00 -2.13 0.00 0.00 31.29 30.88 3ncm h VAL 48 CO 0.40 0.00 -0.78 -2.11 -1.23 0.00 0.00 177.57 173.86 3ncm n ARG 49 N -2.45 3.52 -3.44 5.19 1.85 -1.26 -4.89 116.66 115.17 3ncm n ARG 49 Ca -0.00 -4.34 -0.20 0.00 -1.00 0.00 0.00 57.85 52.31 3ncm n ARG 49 Cb 0.12 -2.26 -0.11 0.00 -1.05 0.00 0.00 32.46 29.16 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 -3.57 -0.28 -0.20 2.89 0.40 -1.17 -1.54 117.98 114.51 3ncm s PHE 50 Ca 0.49 -0.25 0.00 0.00 -0.60 0.00 0.00 56.93 56.58 3ncm s PHE 50 Cb 0.40 -0.53 0.05 0.00 0.51 0.00 0.00 43.02 43.45 3ncm s PHE 50 CO -0.08 -0.86 -0.08 0.42 0.70 0.00 0.00 175.22 175.33 3ncm s ILE 51 N 2.31 1.46 0.23 0.64 -1.09 -0.66 -4.69 121.20 119.39 3ncm s ILE 51 Ca 0.09 -0.95 -0.30 0.00 -2.23 0.00 0.00 60.65 57.26 3ncm s ILE 51 Cb -0.15 -1.61 -0.09 0.00 -1.58 0.00 0.00 42.46 39.04 3ncm s ILE 51 CO -0.31 0.10 0.94 -0.69 -1.23 0.00 0.00 174.94 173.76 3ncm s VAL 52 N 1.46 4.12 0.48 2.92 1.01 -1.26 -1.40 120.40 127.72 3ncm s VAL 52 Ca -0.02 2.09 0.00 0.00 0.00 0.00 0.00 61.98 64.05 3ncm s VAL 52 Cb -0.16 -4.33 0.00 0.00 0.00 0.00 0.00 36.38 31.89 3ncm s VAL 52 CO -0.08 0.48 0.70 -0.76 0.00 0.00 0.00 175.10 175.44 3ncm s LEU 53 N -1.05 3.56 0.64 3.92 1.43 -0.49 -4.93 118.68 121.75 3ncm s LEU 53 Ca 0.42 0.25 0.40 0.00 -1.03 0.00 0.00 54.13 54.17 3ncm s LEU 53 Cb -0.26 -3.12 2.19 0.00 0.03 0.00 0.00 46.19 45.03 3ncm s LEU 53 CO 0.32 -0.80 2.31 0.77 0.23 0.00 0.00 176.35 179.17 3ncm h SER 54 N 0.31 0.00 -0.31 2.29 4.64 -1.97 -1.48 113.55 117.03 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 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3ncm h SER 54 CO 0.56 0.01 0.00 -0.46 -0.87 0.00 0.00 176.83 176.07 3ncm n ASN 55 N -3.25 2.90 -1.56 4.97 6.94 -1.26 -4.90 115.26 119.10 3ncm n ASN 55 Ca -0.03 -2.32 -0.13 0.00 -0.02 0.00 0.00 54.58 52.09 3ncm n ASN 55 Cb 0.10 -0.49 0.00 0.00 -2.36 0.00 0.00 39.78 37.04 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 0.38 -4.04 -4.91 0.53 4.13 -0.56 -4.52 115.26 106.27 3ncm n ASN 56 Ca 0.13 -0.06 -0.20 0.00 1.68 0.00 0.00 54.58 56.13 3ncm n ASN 56 Cb 0.59 -3.15 -0.02 0.00 -1.54 0.00 0.00 39.78 35.66 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 -2.71 2.97 -0.35 3.10 1.51 -1.25 -4.44 117.35 116.18 3ncm s TYR 57 Ca 0.05 -0.29 0.03 0.00 -1.01 0.00 0.00 57.07 55.86 3ncm s TYR 57 Cb -0.02 -1.92 0.10 0.00 -0.11 0.00 0.00 41.96 40.01 3ncm s TYR 57 CO 0.06 0.07 0.07 -1.17 -1.11 0.00 0.00 175.55 173.47 3ncm s LEU 58 N -4.08 4.43 -0.55 -1.29 2.96 -0.97 -1.40 118.68 117.78 3ncm s LEU 58 Ca 0.43 -2.15 -0.28 0.00 -0.22 0.00 0.00 54.13 51.92 3ncm s LEU 58 Cb -0.07 -1.54 0.01 0.00 0.50 0.00 0.00 46.19 45.09 3ncm s LEU 58 CO 0.29 -0.38 1.43 -1.10 -1.32 0.00 0.00 176.35 175.27 3ncm s GLN 59 N 0.92 3.29 -0.35 1.98 -0.21 -0.50 -0.60 119.66 124.20 3ncm s GLN 59 Ca 0.11 0.48 -0.17 0.00 0.02 0.00 0.00 55.36 55.81 3ncm s GLN 59 Cb -0.19 -4.13 -0.01 0.00 1.00 0.00 0.00 33.01 29.68 3ncm s GLN 59 CO -0.10 -1.95 0.44 0.42 -2.12 0.00 0.00 175.29 171.99 3ncm s ILE 60 N 6.12 5.09 -0.34 1.08 1.01 0.77 -1.66 121.20 133.28 3ncm s ILE 60 Ca 0.53 0.20 -0.29 0.00 0.00 0.00 0.00 60.65 61.10 3ncm s ILE 60 Cb -0.11 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.46 3ncm s ILE 60 CO 0.25 -0.16 1.34 -0.60 0.00 0.00 0.00 174.94 175.77 3ncm s ARG 61 N 2.22 3.80 0.00 2.79 3.00 -0.59 -0.68 118.95 129.49 3ncm s ARG 61 Ca 0.15 1.15 0.00 0.00 -1.00 0.00 0.00 55.73 56.03 3ncm s ARG 61 Cb -0.16 -3.93 0.00 0.00 0.00 0.00 0.00 34.95 30.86 3ncm s ARG 61 CO 0.12 -1.28 0.00 0.41 0.00 0.00 0.00 175.30 174.56 3ncm n GLY 62 N 4.58 2.91 3.58 8.12 0.00 0.16 -4.78 105.19 119.76 3ncm n GLY 62 Ca 0.15 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 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 -4.01 -1.73 -0.61 0.13 -1.06 0.11 119.36 112.19 3ncm n ILE 63 Ca 0.00 0.07 -0.38 0.00 -1.10 0.00 0.00 62.75 61.34 3ncm n ILE 63 Cb 0.00 -3.49 0.05 0.00 -0.84 0.00 0.00 39.64 35.36 3ncm n ILE 63 CO 0.00 0.00 0.00 0.29 2.80 0.00 0.00 176.55 179.64 3ncm n LYS 64 N -1.00 1.47 0.24 9.51 5.02 -1.26 -3.47 118.16 128.67 3ncm n LYS 64 Ca -0.16 0.55 0.17 0.00 -2.02 0.00 0.00 58.31 56.85 3ncm n LYS 64 Cb 0.68 -2.55 0.85 0.00 -0.02 0.00 0.00 35.03 33.99 3ncm n LYS 64 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3ncm h LYS 65 N 1.09 0.00 0.00 1.97 3.64 -1.90 -1.51 116.57 119.86 3ncm h LYS 65 Ca -0.51 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 3ncm h LYS 65 Cb 1.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 3ncm h LYS 65 CO 0.55 0.00 -0.90 0.25 -2.27 0.00 0.00 179.45 177.08 3ncm n THR 66 N -2.68 0.39 0.49 1.00 -2.24 -1.26 -4.02 114.28 105.95 3ncm n THR 66 Ca -0.01 -0.37 0.06 0.00 -2.27 0.00 0.00 64.05 61.46 3ncm n THR 66 Cb 0.10 -0.11 0.20 0.00 -2.10 0.00 0.00 70.33 68.42 3ncm n THR 66 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3ncm n ASP 67 N -2.27 2.59 -4.94 3.42 9.92 -0.57 -4.92 116.55 119.78 3ncm n ASP 67 Ca 0.02 -2.13 -0.24 0.00 -0.53 0.00 0.00 54.79 51.90 3ncm n ASP 67 Cb 0.48 -0.36 -0.00 0.00 -0.64 0.00 0.00 41.12 40.60 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 -1.58 3.41 0.00 -1.24 1.03 -1.25 -4.91 118.70 114.16 3ncm s GLU 68 Ca 0.29 -0.26 0.00 0.00 0.03 0.00 0.00 54.97 55.02 3ncm s GLU 68 Cb 0.17 -2.59 0.00 0.00 -0.80 0.00 0.00 34.13 30.91 3ncm s GLU 68 CO 0.17 -0.01 0.00 0.41 -1.33 0.00 0.00 175.26 174.50 3ncm n GLY 69 N -1.94 -0.94 2.96 -3.83 0.00 0.17 -4.97 105.19 96.64 3ncm n GLY 69 Ca -0.03 0.35 -0.06 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.71 0.18 2.61 2.01 -1.26 -1.21 115.64 117.26 3ncm s THR 70 Ca 0.00 -0.19 -0.27 0.00 0.31 0.00 0.00 61.69 61.53 3ncm s THR 70 Cb 0.00 -0.96 -0.08 0.00 0.01 0.00 0.00 72.50 71.47 3ncm s THR 70 CO 0.00 -0.20 0.85 -0.31 -0.69 0.00 0.00 174.62 174.27 3ncm s TYR 71 N 2.61 3.92 -0.28 4.92 1.51 0.52 -4.36 117.35 126.19 3ncm s TYR 71 Ca 0.11 1.74 -0.10 0.00 -1.01 0.00 0.00 57.07 57.81 3ncm s TYR 71 Cb -0.13 -2.87 -0.04 0.00 -0.11 0.00 0.00 41.96 38.81 3ncm s TYR 71 CO -0.26 0.46 0.17 0.50 -1.11 0.00 0.00 175.55 175.31 3ncm s ARG 72 N -1.03 3.85 -0.04 -0.62 3.52 -0.70 0.49 118.95 124.41 3ncm s ARG 72 Ca 0.38 -0.38 -0.30 0.00 -0.13 0.00 0.00 55.73 55.31 3ncm s ARG 72 Cb -0.24 -3.60 -0.02 0.00 -1.56 0.00 0.00 34.95 29.52 3ncm s ARG 72 CO 0.28 -0.20 1.01 0.00 -0.81 0.00 0.00 175.30 175.58 3ncm s GLU 74 N 1.49 1.79 -0.45 0.00 -6.30 0.06 -1.17 118.70 114.12 3ncm s GLU 74 Ca 0.51 -2.62 -0.27 0.00 -2.50 0.00 0.00 54.97 50.08 3ncm s GLU 74 Cb -0.20 -2.80 -0.02 0.00 0.00 0.00 0.00 34.13 31.11 3ncm s GLU 74 CO 0.24 -1.23 1.88 0.20 0.02 0.00 0.00 175.26 176.37 3ncm s GLY 75 N -0.46 0.45 -0.01 -1.50 0.00 0.18 0.06 107.32 106.04 3ncm s GLY 75 Ca 0.22 -0.11 0.07 0.00 0.00 0.00 0.00 44.72 44.91 3ncm s GLY 75 CO -0.09 3.41 -0.23 -1.60 0.00 0.00 0.00 173.10 174.59 3ncm s ARG 76 N 6.44 1.84 -0.08 2.90 3.52 0.27 -1.17 118.95 132.68 3ncm s ARG 76 Ca 0.77 -0.86 0.04 0.00 -0.13 0.00 0.00 55.73 55.55 3ncm s ARG 76 Cb -0.18 -1.81 -0.01 0.00 -1.56 0.00 0.00 34.95 31.39 3ncm s ARG 76 CO 0.28 0.49 -0.22 0.42 -0.81 0.00 0.00 175.30 175.46 3ncm s ILE 77 N -0.59 2.29 -0.10 4.11 1.01 -0.59 -2.58 121.20 124.75 3ncm s ILE 77 Ca 0.09 -0.97 0.07 0.00 0.00 0.00 0.00 60.65 59.84 3ncm s ILE 77 Cb -0.09 -1.87 -0.24 0.00 0.01 0.00 0.00 42.46 40.27 3ncm s ILE 77 CO -0.00 0.56 0.43 0.18 0.00 0.00 0.00 174.94 176.10 3ncm n LEU 78 N 3.11 1.47 0.26 2.97 4.77 -1.26 -1.82 117.00 126.50 3ncm n LEU 78 Ca -0.18 0.26 -0.14 0.00 -0.03 0.00 0.00 56.01 55.92 3ncm n LEU 78 Cb 0.52 -0.27 -0.08 0.00 -2.33 0.00 0.00 43.42 41.27 3ncm n LEU 78 CO 0.27 0.59 0.48 0.00 -1.33 0.00 0.00 177.39 177.40 3ncm h ALA 79 N 0.64 -0.69 -1.53 -1.18 0.00 -1.99 -3.24 119.26 111.27 3ncm h ALA 79 Ca -0.39 -0.19 -0.77 0.00 0.00 0.00 0.00 54.91 53.56 3ncm h ALA 79 Cb 2.04 0.27 -0.30 0.00 0.00 0.00 0.00 17.79 19.80 3ncm h ALA 79 CO 0.06 -0.74 0.70 0.54 0.00 0.00 0.00 179.25 179.82 3ncm n ARG 80 N -5.28 4.90 0.00 0.00 1.74 -1.26 -4.98 116.66 111.78 3ncm n ARG 80 Ca -0.11 -4.69 0.00 0.00 -0.77 0.00 0.00 57.85 52.29 3ncm n ARG 80 Cb 0.32 -2.43 0.00 0.00 -1.02 0.00 0.00 32.46 29.32 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 0.13 0.00 3.29 -0.13 0.00 -1.19 -4.77 105.19 102.52 3ncm n GLY 81 Ca 0.41 0.00 -0.29 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 1.82 -0.45 1.61 2.12 -0.76 -4.96 118.70 118.09 3ncm s GLU 82 Ca 0.00 -0.93 0.03 0.00 0.36 0.00 0.00 54.97 54.42 3ncm s GLU 82 Cb 0.00 -1.85 0.15 0.00 0.26 0.00 0.00 34.13 32.69 3ncm s GLU 82 CO 0.00 0.50 0.29 0.96 -0.54 0.00 0.00 175.26 176.47 3ncm s ILE 83 N -0.66 1.10 0.07 -3.70 -4.36 -1.26 -1.54 121.20 110.85 3ncm s ILE 83 Ca 0.10 -2.65 -0.03 0.00 -0.26 0.00 0.00 60.65 57.81 3ncm s ILE 83 Cb -0.09 -1.76 -0.05 0.00 1.25 0.00 0.00 42.46 41.81 3ncm s ILE 83 CO 0.00 -1.01 0.27 0.20 0.24 0.00 0.00 174.94 174.64 3ncm s ASN 84 N 0.18 6.42 0.35 4.36 -0.87 -0.32 -4.96 114.94 120.11 3ncm s ASN 84 Ca 0.22 0.42 -0.16 0.00 -1.57 0.00 0.00 52.86 51.77 3ncm s ASN 84 Cb -0.15 -2.02 0.04 0.00 -0.02 0.00 0.00 41.25 39.10 3ncm s ASN 84 CO -0.07 0.16 0.75 0.72 -2.57 0.00 0.00 177.10 176.09 3ncm s PHE 85 N -1.50 0.08 0.01 2.20 -0.12 -1.26 0.50 117.98 117.90 3ncm s PHE 85 Ca 0.35 -0.67 -0.28 0.00 -0.05 0.00 0.00 56.93 56.27 3ncm s PHE 85 Cb -0.13 0.74 0.10 0.00 -0.63 0.00 0.00 43.02 43.10 3ncm s PHE 85 CO 0.24 -1.44 0.84 0.15 -0.05 0.00 0.00 175.22 174.95 3ncm s LYS 86 N -2.84 0.89 -0.08 1.99 1.02 -0.32 -4.96 119.74 115.44 3ncm s LYS 86 Ca 0.15 -0.27 -0.11 0.00 0.02 0.00 0.00 55.97 55.77 3ncm s LYS 86 Cb -0.05 0.41 -0.05 0.00 -0.52 0.00 0.00 37.83 37.62 3ncm s LYS 86 CO 0.11 -0.38 0.26 0.16 -0.92 0.00 0.00 175.35 174.58 3ncm s ASP 87 N -2.35 6.56 -0.30 2.83 -4.77 -1.26 -0.21 116.67 117.16 3ncm s ASP 87 Ca 0.03 0.66 0.03 0.00 -3.30 0.00 0.00 52.55 49.97 3ncm s ASP 87 Cb -0.01 -2.15 0.08 0.00 -1.09 0.00 0.00 42.92 39.75 3ncm s ASP 87 CO -0.08 0.33 -0.02 -0.63 0.70 0.00 0.00 175.17 175.48 3ncm s ILE 88 N -0.83 2.11 -0.28 2.11 -1.09 0.18 -4.66 121.20 118.74 3ncm s ILE 88 Ca 0.18 -1.93 -0.29 0.00 -2.23 0.00 0.00 60.65 56.38 3ncm s ILE 88 Cb -0.14 -2.41 -0.01 0.00 -1.58 0.00 0.00 42.46 38.32 3ncm s ILE 88 CO 0.07 -0.34 1.57 -1.10 -1.23 0.00 0.00 174.94 173.91 3ncm s GLN 89 N 1.05 3.70 -0.13 2.79 -0.21 0.35 -0.35 119.66 126.87 3ncm s GLN 89 Ca 0.02 1.45 -0.02 0.00 0.02 0.00 0.00 55.36 56.83 3ncm s GLN 89 Cb -0.19 -4.04 -0.02 0.00 1.00 0.00 0.00 33.01 29.76 3ncm s GLN 89 CO -0.07 -1.40 -0.07 0.08 -2.12 0.00 0.00 175.29 171.70 3ncm s VAL 90 N 5.39 3.62 0.03 1.09 1.01 -0.35 0.34 120.40 131.54 3ncm s VAL 90 Ca 0.69 -0.47 0.07 0.00 0.00 0.00 0.00 61.98 62.27 3ncm s VAL 90 Cb -0.21 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 3ncm s VAL 90 CO 0.30 0.53 -0.20 -0.63 0.00 0.00 0.00 175.10 175.09 3ncm s ILE 91 N 0.06 1.63 0.00 2.22 1.01 -0.69 0.45 121.20 125.88 3ncm s ILE 91 Ca -0.02 -1.12 0.00 0.00 0.00 0.00 0.00 60.65 59.51 3ncm s ILE 91 Cb -0.14 -1.41 0.00 0.00 0.01 0.00 0.00 42.46 40.92 3ncm s ILE 91 CO 0.03 0.25 0.00 0.55 0.00 0.00 0.00 174.94 175.78