#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 -0.45 -0.32 -3.48 1.01 -1.21 0.44 120.40 116.39 3ncm s VAL 2 Ca 0.00 -0.31 -0.07 0.00 0.00 0.00 0.00 61.98 61.60 3ncm s VAL 2 Cb 0.00 -0.89 0.02 0.00 0.00 0.00 0.00 36.38 35.51 3ncm s VAL 2 CO 0.00 -0.33 0.10 -0.04 0.00 0.00 0.00 175.10 174.83 3ncm s MET 3 N 2.41 2.92 -0.09 2.72 -1.94 -0.84 -4.83 119.30 119.65 3ncm s MET 3 Ca 0.10 -0.98 -0.30 0.00 -1.71 0.00 0.00 55.69 52.80 3ncm s MET 3 Cb -0.14 -3.43 -0.04 0.00 2.01 0.00 0.00 34.83 33.22 3ncm s MET 3 CO -0.25 -0.54 1.51 -0.06 -0.01 0.00 0.00 175.02 175.67 3ncm s PHE 4 N 1.48 2.33 0.18 -0.03 0.40 -1.26 0.16 117.98 121.23 3ncm s PHE 4 Ca 0.01 0.50 0.05 0.00 -0.60 0.00 0.00 56.93 56.89 3ncm s PHE 4 Cb -0.18 -3.76 -0.05 0.00 0.51 0.00 0.00 43.02 39.54 3ncm s PHE 4 CO 0.03 -3.05 -0.08 -1.59 0.70 0.00 0.00 175.22 171.23 3ncm s LYS 5 N 3.73 1.17 -0.46 0.44 -2.85 0.20 -4.95 119.74 117.01 3ncm s LYS 5 Ca 0.67 -1.53 -0.06 0.00 -1.00 0.00 0.00 55.97 54.05 3ncm s LYS 5 Cb -0.29 -0.67 0.01 0.00 -2.06 0.00 0.00 37.83 34.81 3ncm s LYS 5 CO 0.24 0.04 0.39 -1.71 0.10 0.00 0.00 175.35 174.41 3ncm n ASN 6 N -0.28 -3.10 -3.48 0.03 5.15 -1.26 -0.91 115.26 111.40 3ncm n ASN 6 Ca -0.09 -0.50 -0.27 0.00 -0.60 0.00 0.00 54.58 53.12 3ncm n ASN 6 Cb 0.61 -1.00 -0.11 0.00 -0.53 0.00 0.00 39.78 38.76 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 -2.21 1.78 -0.50 5.20 0.00 -1.26 -2.26 121.76 122.50 3ncm s ALA 7 Ca 0.06 -2.65 -0.27 0.00 0.00 0.00 0.00 51.96 49.10 3ncm s ALA 7 Cb -0.01 -1.69 -0.04 0.00 0.00 0.00 0.00 23.12 21.39 3ncm s ALA 7 CO 0.56 -2.00 2.03 -1.25 0.00 0.00 0.00 175.76 175.10 3ncm s PRO 8 N -0.13 2.62 0.02 0.00 0.05 -1.26 -4.91 135.00 131.40 3ncm s PRO 8 Ca 0.31 1.07 -0.08 0.00 0.05 0.00 0.00 61.00 62.35 3ncm s PRO 8 Cb 0.01 -4.41 -0.04 0.00 0.05 0.00 0.00 34.50 30.11 3ncm s PRO 8 CO -0.18 -2.71 1.12 1.79 0.05 0.00 0.00 177.00 177.08 3ncm h THR 9 N 7.13 0.00 -1.56 1.26 1.35 -1.88 -3.34 112.91 115.86 3ncm h THR 9 Ca -0.28 0.00 -0.48 0.00 -0.55 0.00 0.00 66.41 65.10 3ncm h THR 9 Cb 1.20 0.00 -0.07 0.00 -1.73 0.00 0.00 68.15 67.55 3ncm h THR 9 CO 1.15 0.00 1.16 -2.16 -0.25 0.00 0.00 175.52 175.43 3ncm s PRO 10 N -3.62 2.99 0.59 4.72 0.05 -1.24 0.10 135.00 138.60 3ncm s PRO 10 Ca -0.04 -0.25 0.10 0.00 0.05 0.00 0.00 61.00 60.86 3ncm s PRO 10 Cb 0.01 -4.74 0.09 0.00 0.05 0.00 0.00 34.50 29.92 3ncm s PRO 10 CO 0.13 -2.61 0.80 1.14 0.05 0.00 0.00 177.00 176.51 3ncm s GLN 11 N 6.20 2.25 -0.29 4.56 -2.07 0.24 -4.96 119.66 125.60 3ncm s GLN 11 Ca 0.54 -1.71 -0.13 0.00 -1.82 0.00 0.00 55.36 52.25 3ncm s GLN 11 Cb -0.07 -2.61 0.11 0.00 -1.09 0.00 0.00 33.01 29.35 3ncm s GLN 11 CO 0.07 -0.91 0.66 -2.00 -1.32 0.00 0.00 175.29 171.78 3ncm s GLU 12 N -4.68 0.63 0.00 9.60 2.12 -1.26 -1.68 118.70 123.42 3ncm s GLU 12 Ca 0.61 1.33 0.00 0.00 0.36 0.00 0.00 54.97 57.27 3ncm s GLU 12 Cb -0.05 0.52 0.00 0.00 0.26 0.00 0.00 34.13 34.85 3ncm s GLU 12 CO 0.39 -0.18 0.00 1.19 -0.54 0.00 0.00 175.26 176.12 3ncm n PHE 13 N 4.92 0.00 -4.27 5.30 3.72 -0.56 -4.97 117.46 121.59 3ncm n PHE 13 Ca -0.16 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 56.89 3ncm n PHE 13 Cb 0.54 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.98 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 -1.71 3.27 -0.10 -1.08 2.20 -1.26 -4.36 119.74 116.69 3ncm s LYS 14 Ca 0.00 -0.39 -0.29 0.00 -0.36 0.00 0.00 55.97 54.93 3ncm s LYS 14 Cb 0.00 -2.91 -0.06 0.00 -1.51 0.00 0.00 37.83 33.35 3ncm s LYS 14 CO 0.00 0.59 1.97 -2.00 -0.36 0.00 0.00 175.35 175.55 3ncm s GLU 15 N -0.55 3.75 0.00 4.03 2.12 -1.26 -1.54 118.70 125.25 3ncm s GLU 15 Ca 0.10 2.23 0.00 0.00 0.36 0.00 0.00 54.97 57.66 3ncm s GLU 15 Cb -0.12 -4.20 0.00 0.00 0.26 0.00 0.00 34.13 30.07 3ncm s GLU 15 CO 0.02 -1.39 0.00 0.41 -0.54 0.00 0.00 175.26 173.76 3ncm n GLY 16 N 4.94 1.02 3.59 -1.50 0.00 0.29 -5.02 105.19 108.51 3ncm n GLY 16 Ca 0.23 -0.26 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.80 1.94 -0.73 1.61 2.12 0.90 -4.68 118.70 119.06 3ncm s GLU 17 Ca 0.00 -1.87 -0.25 0.00 0.36 0.00 0.00 54.97 53.21 3ncm s GLU 17 Cb 0.00 -1.80 0.05 0.00 0.26 0.00 0.00 34.13 32.64 3ncm s GLU 17 CO 0.00 0.12 1.16 -0.51 -0.54 0.00 0.00 175.26 175.50 3ncm s ASP 18 N -3.66 6.19 0.40 -1.70 1.11 -1.26 0.48 116.67 118.22 3ncm s ASP 18 Ca 0.34 -0.74 0.08 0.00 0.18 0.00 0.00 52.55 52.41 3ncm s ASP 18 Cb 0.02 -2.50 0.01 0.00 1.07 0.00 0.00 42.92 41.51 3ncm s ASP 18 CO 0.18 -1.66 0.54 0.00 1.18 0.00 0.00 175.17 175.41 3ncm s ALA 19 N 5.00 4.46 -0.02 5.23 0.00 0.16 -4.90 121.76 131.69 3ncm s ALA 19 Ca 0.30 -1.64 -0.03 0.00 0.00 0.00 0.00 51.96 50.60 3ncm s ALA 19 Cb -0.11 -1.62 0.01 0.00 0.00 0.00 0.00 23.12 21.40 3ncm s ALA 19 CO 0.12 -0.23 0.07 0.08 0.00 0.00 0.00 175.76 175.79 3ncm s VAL 20 N -2.32 0.01 -0.36 0.00 1.01 -1.26 0.45 120.40 117.93 3ncm s VAL 20 Ca 0.53 -0.09 -0.16 0.00 0.00 0.00 0.00 61.98 62.27 3ncm s VAL 20 Cb -0.10 -0.13 -0.00 0.00 0.00 0.00 0.00 36.38 36.15 3ncm s VAL 20 CO 0.32 -0.05 0.38 -0.63 0.00 0.00 0.00 175.10 175.13 3ncm s ILE 21 N -0.12 5.15 -0.16 2.22 1.01 0.04 -4.85 121.20 124.49 3ncm s ILE 21 Ca -0.02 -0.03 -0.29 0.00 0.00 0.00 0.00 60.65 60.31 3ncm s ILE 21 Cb -0.01 -3.87 -0.01 0.00 0.01 0.00 0.00 42.46 38.57 3ncm s ILE 21 CO 0.00 -0.16 1.25 -0.69 0.00 0.00 0.00 174.94 175.34 3ncm s VAL 22 N 2.05 4.29 -0.40 2.92 1.01 -1.26 -2.30 120.40 126.71 3ncm s VAL 22 Ca 0.12 1.56 0.05 0.00 0.00 0.00 0.00 61.98 63.72 3ncm s VAL 22 Cb -0.17 -4.01 0.18 0.00 0.00 0.00 0.00 36.38 32.39 3ncm s VAL 22 CO 0.12 -0.13 0.69 0.00 0.00 0.00 0.00 175.10 175.79 3ncm s ASP 24 N 1.86 6.97 -0.11 0.00 1.01 -0.09 -4.44 116.67 121.87 3ncm s ASP 24 Ca 0.16 1.23 -0.07 0.00 0.71 0.00 0.00 52.55 54.58 3ncm s ASP 24 Cb -0.03 -2.34 0.04 0.00 1.01 0.00 0.00 42.92 41.60 3ncm s ASP 24 CO -0.08 0.16 0.27 -0.69 0.21 0.00 0.00 175.17 175.04 3ncm s VAL 25 N -1.33 -0.03 -1.19 -1.27 1.01 -1.26 0.61 120.40 116.94 3ncm s VAL 25 Ca 0.35 0.10 -0.10 0.00 0.00 0.00 0.00 61.98 62.34 3ncm s VAL 25 Cb -0.17 -0.41 0.22 0.00 0.00 0.00 0.00 36.38 36.02 3ncm s VAL 25 CO 0.20 0.04 1.50 0.52 0.00 0.00 0.00 175.10 177.36 3ncm n VAL 26 N 3.90 4.55 -1.73 2.92 0.31 0.12 -4.85 118.33 123.55 3ncm n VAL 26 Ca -0.22 -5.00 -0.30 0.00 -0.01 0.00 0.00 64.34 58.81 3ncm n VAL 26 Cb 0.55 -2.39 0.06 0.00 -0.91 0.00 0.00 33.84 31.15 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 1.14 5.11 0.00 4.52 0.01 -1.25 -1.99 113.70 121.24 3ncm s SER 27 Ca 0.37 1.26 0.00 0.00 1.31 0.00 0.00 55.95 58.89 3ncm s SER 27 Cb 0.00 -2.05 0.00 0.00 0.21 0.00 0.00 66.02 64.18 3ncm s SER 27 CO 0.00 -1.57 0.32 -0.24 0.41 0.00 0.00 173.24 172.17 3ncm n SER 28 N -3.17 0.00 0.09 2.44 2.88 0.17 -4.79 113.62 111.24 3ncm n SER 28 Ca 0.07 0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.93 3ncm n SER 28 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 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 -0.55 -1.63 0.19 2.46 4.77 -1.26 -4.90 117.00 116.07 3ncm n LEU 29 Ca 0.00 0.45 -0.15 0.00 -0.03 0.00 0.00 56.01 56.28 3ncm n LEU 29 Cb 0.00 1.75 -0.08 0.00 -2.33 0.00 0.00 43.42 42.76 3ncm n LEU 29 CO 0.00 -0.01 0.76 1.55 -1.33 0.00 0.00 177.39 178.36 3ncm h PRO 30 N 0.00 -0.41 0.00 3.23 0.14 -2.00 -3.44 132.00 129.52 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 -5.28 -0.06 -1.31 1.56 -0.05 -1.26 -5.09 135.00 123.51 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 0.20 0.00 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 -1.66 0.00 -3.36 0.52 -1.04 -1.06 -4.97 114.28 102.71 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 -0.00 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 -2.50 4.21 -0.06 12.58 2.07 -1.26 -0.57 121.20 135.66 3ncm s ILE 33 Ca 0.00 -0.81 0.02 0.00 -1.41 0.00 0.00 60.65 58.45 3ncm s ILE 33 Cb 0.00 -3.50 0.01 0.00 0.13 0.00 0.00 42.46 39.11 3ncm s ILE 33 CO 0.00 -0.25 -0.11 -0.63 -1.91 0.00 0.00 174.94 172.04 3ncm s ILE 34 N -2.29 1.07 -0.60 2.00 1.01 0.73 -4.87 121.20 118.25 3ncm s ILE 34 Ca 0.45 -0.44 -0.20 0.00 0.00 0.00 0.00 60.65 60.46 3ncm s ILE 34 Cb -0.10 -0.99 0.08 0.00 0.01 0.00 0.00 42.46 41.47 3ncm s ILE 34 CO 0.33 0.34 0.80 0.26 0.00 0.00 0.00 174.94 176.67 3ncm s TRP 35 N 0.72 2.88 0.01 3.97 0.52 -1.26 -0.73 118.94 125.05 3ncm s TRP 35 Ca -0.14 -0.72 0.00 0.00 0.02 0.00 0.00 56.10 55.27 3ncm s TRP 35 Cb -0.16 -4.05 0.00 0.00 -1.15 0.00 0.00 33.47 28.11 3ncm s TRP 35 CO 0.03 -1.39 0.01 1.17 0.02 0.00 0.00 176.95 176.79 3ncm n LYS 36 N 6.84 0.99 -1.36 4.98 4.81 0.16 -0.53 118.16 134.06 3ncm n LYS 36 Ca -0.07 -0.04 0.17 0.00 -0.87 0.00 0.00 58.31 57.50 3ncm n LYS 36 Cb 0.44 -0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.40 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 -1.02 -3.63 -3.76 5.64 -0.00 -1.26 -1.80 115.22 109.39 3ncm n HIS 37 Ca 0.00 1.99 -0.27 0.00 0.46 0.00 0.00 57.72 59.90 3ncm n HIS 37 Cb 0.01 -3.30 0.05 0.00 -0.12 0.00 0.00 29.99 26.63 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 -4.20 -6.70 0.00 1.57 3.00 -1.26 -3.95 118.16 106.62 3ncm n LYS 38 Ca -0.08 0.71 0.00 0.00 -0.00 0.00 0.00 58.31 58.94 3ncm n LYS 38 Cb 0.64 -5.68 0.00 0.00 0.00 0.00 0.00 35.03 30.00 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 -1.83 -0.26 2.89 3.14 0.00 -1.26 -4.96 105.19 102.90 3ncm n GLY 39 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.39 -2.74 1.61 3.00 -1.25 -4.62 116.66 110.27 3ncm n ARG 40 Ca 0.00 2.09 -0.04 0.00 -0.01 0.00 0.00 57.85 59.89 3ncm n ARG 40 Cb 0.00 -3.76 -0.03 0.00 0.00 0.00 0.00 32.46 28.67 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 0.99 -2.45 0.19 0.55 -0.08 -1.26 -4.83 116.55 109.66 3ncm n ASP 41 Ca -0.02 1.24 0.06 0.00 -1.51 0.00 0.00 54.79 54.56 3ncm n ASP 41 Cb 0.20 -4.18 0.35 0.00 2.34 0.00 0.00 41.12 39.83 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 4.42 0.89 0.00 5.18 -1.51 -1.07 -3.10 116.25 121.06 3ncm h VAL 42 Ca -0.41 -1.48 0.00 0.00 -1.23 0.00 0.00 66.70 63.58 3ncm h VAL 42 Cb 0.93 1.90 0.00 0.00 -2.13 0.00 0.00 31.29 31.98 3ncm h VAL 42 CO 0.01 0.36 0.05 0.40 -1.23 0.00 0.00 177.57 177.15 3ncm h ILE 43 N 0.00 0.00 0.00 7.19 1.08 -1.90 0.90 117.51 124.78 3ncm h ILE 43 Ca -0.00 0.00 -0.08 0.00 -0.39 0.00 0.00 64.86 64.39 3ncm h ILE 43 Cb 0.87 0.73 -0.01 0.00 -3.07 0.00 0.00 36.82 35.34 3ncm h ILE 43 CO 0.05 0.00 -1.41 0.18 -0.69 0.00 0.00 178.15 176.28 3ncm n LEU 44 N -2.70 0.64 -0.11 1.44 4.32 -1.17 -4.42 117.00 115.01 3ncm n LEU 44 Ca -0.02 0.26 -0.21 0.00 -0.02 0.00 0.00 56.01 56.02 3ncm n LEU 44 Cb 0.10 0.03 -0.12 0.00 -1.62 0.00 0.00 43.42 41.81 3ncm n LEU 44 CO 0.15 -0.00 -1.25 2.29 -1.22 0.00 0.00 177.39 177.35 3ncm n LYS 45 N -2.67 0.65 -3.90 3.23 2.85 -0.58 -5.02 118.16 112.71 3ncm n LYS 45 Ca -0.06 0.21 -0.34 0.00 -1.05 0.00 0.00 58.31 57.07 3ncm n LYS 45 Cb 0.68 -1.55 0.01 0.00 -0.65 0.00 0.00 35.03 33.52 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 -3.53 -1.51 -0.67 -1.58 4.76 0.21 -4.92 118.16 110.92 3ncm n LYS 46 Ca -0.45 0.32 -0.32 0.00 -2.87 0.00 0.00 58.31 54.99 3ncm n LYS 46 Cb 0.97 -3.79 0.17 0.00 -1.84 0.00 0.00 35.03 30.54 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 -2.65 -2.36 0.30 4.39 8.00 -1.26 -4.82 116.55 118.16 3ncm n ASP 47 Ca -0.17 -0.12 0.20 0.00 0.71 0.00 0.00 54.79 55.41 3ncm n ASP 47 Cb 0.62 -0.96 1.04 0.00 -0.02 0.00 0.00 41.12 41.80 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 -2.07 0.00 -1.31 2.53 -1.51 -2.01 -2.99 116.25 108.89 3ncm h VAL 48 Ca -0.54 -0.09 -0.60 0.00 -1.23 0.00 0.00 66.70 64.24 3ncm h VAL 48 Cb 1.36 1.02 -0.40 0.00 -2.13 0.00 0.00 31.29 31.14 3ncm h VAL 48 CO 0.38 0.00 -0.49 -2.11 -1.23 0.00 0.00 177.57 174.12 3ncm n ARG 49 N -2.96 3.38 -3.48 5.19 1.85 -1.26 -4.92 116.66 114.45 3ncm n ARG 49 Ca -0.02 -4.24 -0.22 0.00 -1.00 0.00 0.00 57.85 52.36 3ncm n ARG 49 Cb 0.11 -2.26 -0.13 0.00 -1.05 0.00 0.00 32.46 29.13 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 -3.63 -0.11 -0.19 2.89 0.40 -1.13 -1.50 117.98 114.70 3ncm s PHE 50 Ca 0.50 -0.33 -0.00 0.00 -0.60 0.00 0.00 56.93 56.50 3ncm s PHE 50 Cb 0.41 -0.60 0.05 0.00 0.51 0.00 0.00 43.02 43.39 3ncm s PHE 50 CO -0.13 -0.79 -0.05 0.42 0.70 0.00 0.00 175.22 175.37 3ncm s ILE 51 N 2.25 1.22 -0.04 0.64 1.01 -0.74 -4.70 121.20 120.84 3ncm s ILE 51 Ca 0.08 -0.82 -0.30 0.00 0.00 0.00 0.00 60.65 59.61 3ncm s ILE 51 Cb -0.15 -1.45 -0.03 0.00 0.01 0.00 0.00 42.46 40.85 3ncm s ILE 51 CO -0.28 0.04 1.05 -0.69 0.00 0.00 0.00 174.94 175.06 3ncm s VAL 52 N 1.56 4.64 0.75 2.92 1.01 -1.26 -1.50 120.40 128.52 3ncm s VAL 52 Ca -0.01 1.91 -0.12 0.00 0.00 0.00 0.00 61.98 63.76 3ncm s VAL 52 Cb -0.17 -4.23 0.04 0.00 0.00 0.00 0.00 36.38 32.03 3ncm s VAL 52 CO -0.07 0.07 1.11 -0.76 0.00 0.00 0.00 175.10 175.44 3ncm s LEU 53 N 1.62 2.75 0.64 3.92 1.43 -0.23 -4.90 118.68 123.91 3ncm s LEU 53 Ca 0.52 1.11 0.40 0.00 -1.03 0.00 0.00 54.13 55.13 3ncm s LEU 53 Cb -0.21 -3.81 2.25 0.00 0.03 0.00 0.00 46.19 44.44 3ncm s LEU 53 CO 0.23 -1.59 2.34 0.77 0.23 0.00 0.00 176.35 178.33 3ncm h SER 54 N -0.83 0.00 -0.34 2.29 4.64 -1.96 -1.44 113.55 115.91 3ncm h SER 54 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3ncm h SER 54 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3ncm h SER 54 CO 0.63 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.13 3ncm n ASN 55 N -3.31 3.59 -1.56 4.97 6.94 -1.26 -4.89 115.26 119.73 3ncm n ASN 55 Ca -0.03 -2.48 -0.13 0.00 -0.02 0.00 0.00 54.58 51.92 3ncm n ASN 55 Cb 0.08 -0.58 0.00 0.00 -2.36 0.00 0.00 39.78 36.92 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 -4.05 -4.94 0.53 4.13 -0.54 -4.58 115.26 106.20 3ncm n ASN 56 Ca 0.16 -0.06 -0.20 0.00 1.68 0.00 0.00 54.58 56.16 3ncm n ASN 56 Cb 0.75 -3.16 -0.02 0.00 -1.54 0.00 0.00 39.78 35.82 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 3.04 -0.36 3.10 1.51 -1.25 -4.48 117.35 116.21 3ncm s TYR 57 Ca 0.05 -0.25 0.04 0.00 -1.01 0.00 0.00 57.07 55.90 3ncm s TYR 57 Cb -0.02 -1.93 0.10 0.00 -0.11 0.00 0.00 41.96 40.00 3ncm s TYR 57 CO 0.06 0.05 0.08 -1.17 -1.11 0.00 0.00 175.55 173.47 3ncm s LEU 58 N -4.11 4.57 -0.56 -1.29 2.96 -0.97 -1.07 118.68 118.21 3ncm s LEU 58 Ca 0.44 -2.25 -0.28 0.00 -0.22 0.00 0.00 54.13 51.82 3ncm s LEU 58 Cb -0.08 -1.59 0.01 0.00 0.50 0.00 0.00 46.19 45.03 3ncm s LEU 58 CO 0.30 -0.36 1.42 -1.10 -1.32 0.00 0.00 176.35 175.29 3ncm s GLN 59 N 0.78 3.29 -0.37 1.98 -1.52 -0.56 -0.78 119.66 122.48 3ncm s GLN 59 Ca 0.12 0.46 -0.16 0.00 -1.95 0.00 0.00 55.36 53.82 3ncm s GLN 59 Cb -0.20 -4.13 -0.00 0.00 -0.22 0.00 0.00 33.01 28.46 3ncm s GLN 59 CO -0.08 -1.95 0.41 0.42 -0.25 0.00 0.00 175.29 173.83 3ncm s ILE 60 N 6.11 5.12 -0.29 1.08 1.01 0.17 -1.79 121.20 132.61 3ncm s ILE 60 Ca 0.53 -0.04 -0.29 0.00 0.00 0.00 0.00 60.65 60.85 3ncm s ILE 60 Cb -0.11 -3.91 0.00 0.00 0.01 0.00 0.00 42.46 38.46 3ncm s ILE 60 CO 0.25 -0.21 1.23 -0.60 0.00 0.00 0.00 174.94 175.60 3ncm s ARG 61 N 2.10 4.00 0.00 2.79 3.00 -0.56 -0.67 118.95 129.61 3ncm s ARG 61 Ca 0.13 1.23 0.00 0.00 -1.00 0.00 0.00 55.73 56.09 3ncm s ARG 61 Cb -0.17 -3.82 0.00 0.00 0.00 0.00 0.00 34.95 30.96 3ncm s ARG 61 CO 0.12 -1.01 0.00 0.41 0.00 0.00 0.00 175.30 174.82 3ncm n GLY 62 N 4.10 2.96 3.37 8.12 0.00 0.18 -4.78 105.19 119.14 3ncm n GLY 62 Ca 0.14 -0.57 -0.22 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.04 -1.63 -0.61 0.13 -1.05 0.11 119.36 113.27 3ncm n ILE 63 Ca 0.00 0.27 -0.31 0.00 -1.10 0.00 0.00 62.75 61.61 3ncm n ILE 63 Cb 0.00 -3.29 0.04 0.00 -0.84 0.00 0.00 39.64 35.55 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 -1.79 3.06 0.57 9.51 1.02 -1.26 -2.85 119.74 128.00 3ncm s LYS 64 Ca 0.21 0.91 0.28 0.00 0.02 0.00 0.00 55.97 57.39 3ncm s LYS 64 Cb -0.02 -2.01 1.71 0.00 -0.52 0.00 0.00 37.83 36.99 3ncm s LYS 64 CO 0.48 -1.00 2.22 -0.22 -0.92 0.00 0.00 175.35 175.90 3ncm h LYS 65 N -0.65 0.00 0.00 1.68 3.64 -1.92 -1.57 116.57 117.76 3ncm h LYS 65 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 3ncm h LYS 65 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 3ncm h LYS 65 CO 0.58 0.02 -0.01 1.79 -2.27 0.00 0.00 179.45 179.56 3ncm h THR 66 N 0.00 0.00 0.00 1.00 1.35 -1.96 -3.27 112.91 110.03 3ncm h THR 66 Ca -0.00 -0.69 -0.23 0.00 -0.55 0.00 0.00 66.41 64.94 3ncm h THR 66 Cb 0.06 1.68 -0.04 0.00 -1.73 0.00 0.00 68.15 68.13 3ncm h THR 66 CO 0.00 0.00 -1.25 -2.24 -0.25 0.00 0.00 175.52 171.78 3ncm h ASP 67 N 0.00 0.00 -3.94 5.36 3.04 -1.65 -3.46 116.42 115.76 3ncm h ASP 67 Ca 0.00 0.00 -0.54 0.00 -3.24 0.00 0.00 57.03 53.25 3ncm h ASP 67 Cb 0.84 0.00 0.10 0.00 -1.04 0.00 0.00 39.33 39.24 3ncm h ASP 67 CO 0.00 0.95 0.74 -1.83 -2.04 0.00 0.00 179.24 177.05 3ncm s GLU 68 N -2.70 4.06 0.00 4.15 -1.05 -1.21 -4.73 118.70 117.22 3ncm s GLU 68 Ca -0.01 2.47 0.00 0.00 -0.15 0.00 0.00 54.97 57.28 3ncm s GLU 68 Cb 0.09 -2.91 0.00 0.00 -0.44 0.00 0.00 34.13 30.87 3ncm s GLU 68 CO 0.82 -0.54 0.00 0.41 0.95 0.00 0.00 175.26 176.90 3ncm n GLY 69 N 0.54 -1.39 2.88 -3.83 0.00 0.18 -4.95 105.19 98.62 3ncm n GLY 69 Ca 0.02 0.61 -0.10 0.00 0.00 0.00 0.00 46.02 46.54 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 -0.59 0.21 2.61 2.01 -1.26 -1.37 115.64 117.25 3ncm s THR 70 Ca 0.00 -0.32 -0.28 0.00 0.31 0.00 0.00 61.69 61.40 3ncm s THR 70 Cb 0.00 -0.98 -0.09 0.00 0.01 0.00 0.00 72.50 71.44 3ncm s THR 70 CO 0.00 -0.31 0.87 -0.31 -0.69 0.00 0.00 174.62 174.19 3ncm s TYR 71 N 2.51 3.95 -0.26 4.92 1.51 0.16 -4.47 117.35 125.68 3ncm s TYR 71 Ca 0.10 1.80 -0.09 0.00 -1.01 0.00 0.00 57.07 57.87 3ncm s TYR 71 Cb -0.13 -2.89 -0.04 0.00 -0.11 0.00 0.00 41.96 38.79 3ncm s TYR 71 CO -0.30 0.48 0.14 0.50 -1.11 0.00 0.00 175.55 175.26 3ncm s ARG 72 N -1.18 3.86 -0.06 -0.62 3.52 -0.74 -0.21 118.95 123.52 3ncm s ARG 72 Ca 0.39 -0.37 -0.24 0.00 -0.13 0.00 0.00 55.73 55.38 3ncm s ARG 72 Cb -0.25 -3.50 -0.04 0.00 -1.56 0.00 0.00 34.95 29.61 3ncm s ARG 72 CO 0.30 -0.13 0.72 0.00 -0.81 0.00 0.00 175.30 175.37 3ncm s GLU 74 N 0.79 1.14 -0.44 0.00 2.02 0.09 -0.74 118.70 121.57 3ncm s GLU 74 Ca 0.39 -1.85 -0.28 0.00 0.02 0.00 0.00 54.97 53.25 3ncm s GLU 74 Cb -0.18 -2.16 -0.02 0.00 0.10 0.00 0.00 34.13 31.87 3ncm s GLU 74 CO 0.19 -1.16 1.79 0.20 0.02 0.00 0.00 175.26 176.30 3ncm s GLY 75 N 0.54 0.60 -0.04 -1.39 0.00 0.18 -0.19 107.32 107.01 3ncm s GLY 75 Ca 0.17 -0.10 0.07 0.00 0.00 0.00 0.00 44.72 44.86 3ncm s GLY 75 CO -0.01 3.28 -0.23 -1.60 0.00 0.00 0.00 173.10 174.54 3ncm s ARG 76 N 6.11 2.30 -0.04 2.90 3.52 0.26 -1.40 118.95 132.61 3ncm s ARG 76 Ca 0.74 -0.88 0.05 0.00 -0.13 0.00 0.00 55.73 55.51 3ncm s ARG 76 Cb -0.18 -2.14 -0.01 0.00 -1.56 0.00 0.00 34.95 31.06 3ncm s ARG 76 CO 0.29 0.52 -0.20 0.42 -0.81 0.00 0.00 175.30 175.53 3ncm s ILE 77 N -0.51 1.62 -0.19 4.11 1.01 -0.63 -2.56 121.20 124.04 3ncm s ILE 77 Ca 0.07 -0.83 -0.02 0.00 0.00 0.00 0.00 60.65 59.86 3ncm s ILE 77 Cb -0.11 -1.38 -0.22 0.00 0.01 0.00 0.00 42.46 40.77 3ncm s ILE 77 CO 0.00 0.46 0.08 0.18 0.00 0.00 0.00 174.94 175.66 3ncm n LEU 78 N 3.02 2.80 0.44 2.97 4.77 -1.26 -1.78 117.00 127.96 3ncm n LEU 78 Ca -0.18 0.04 -0.18 0.00 -0.03 0.00 0.00 56.01 55.66 3ncm n LEU 78 Cb 0.53 -1.02 -0.09 0.00 -2.33 0.00 0.00 43.42 40.51 3ncm n LEU 78 CO 0.25 0.90 0.53 0.00 -1.33 0.00 0.00 177.39 177.73 3ncm h ALA 79 N 0.04 -1.11 -1.37 -1.18 0.00 -1.99 -3.12 119.26 110.52 3ncm h ALA 79 Ca -0.50 -0.25 -0.80 0.00 0.00 0.00 0.00 54.91 53.36 3ncm h ALA 79 Cb 1.97 0.43 -0.28 0.00 0.00 0.00 0.00 17.79 19.91 3ncm h ALA 79 CO 0.00 -1.08 0.94 0.54 0.00 0.00 0.00 179.25 179.65 3ncm n ARG 80 N -5.54 5.25 0.00 0.00 1.74 -1.26 -4.97 116.66 111.88 3ncm n ARG 80 Ca -0.15 -4.66 0.00 0.00 -0.77 0.00 0.00 57.85 52.27 3ncm n ARG 80 Cb 0.45 -2.47 0.00 0.00 -1.02 0.00 0.00 32.46 29.42 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 0.10 0.00 3.33 -0.13 0.00 -1.18 -4.78 105.19 102.52 3ncm n GLY 81 Ca 0.44 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.16 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 1.87 -0.46 1.61 2.12 -0.73 -4.96 118.70 118.15 3ncm s GLU 82 Ca 0.00 -1.04 0.04 0.00 0.36 0.00 0.00 54.97 54.32 3ncm s GLU 82 Cb 0.00 -1.97 0.16 0.00 0.26 0.00 0.00 34.13 32.58 3ncm s GLU 82 CO 0.00 0.52 0.35 0.96 -0.54 0.00 0.00 175.26 176.55 3ncm s ILE 83 N -0.74 0.87 0.12 -3.70 -4.36 -1.26 -1.61 121.20 110.53 3ncm s ILE 83 Ca 0.11 -2.85 0.02 0.00 -0.26 0.00 0.00 60.65 57.67 3ncm s ILE 83 Cb -0.10 -1.60 -0.04 0.00 1.25 0.00 0.00 42.46 41.97 3ncm s ILE 83 CO 0.01 -1.14 0.26 0.20 0.24 0.00 0.00 174.94 174.51 3ncm s ASN 84 N -0.10 6.32 0.33 4.36 -0.87 -0.49 -4.96 114.94 119.53 3ncm s ASN 84 Ca 0.29 0.19 -0.15 0.00 -1.57 0.00 0.00 52.86 51.62 3ncm s ASN 84 Cb -0.02 -1.91 0.06 0.00 -0.02 0.00 0.00 41.25 39.35 3ncm s ASN 84 CO -0.16 0.09 0.79 2.22 -2.57 0.00 0.00 177.10 177.47 3ncm n PHE 85 N -0.31 -2.07 -3.50 2.20 1.16 -1.26 0.50 117.46 114.19 3ncm n PHE 85 Ca -0.06 -1.62 -0.09 0.00 -1.87 0.00 0.00 57.45 53.81 3ncm n PHE 85 Cb 0.53 0.81 -0.02 0.00 -1.61 0.00 0.00 39.48 39.19 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 -2.08 0.93 -0.34 3.97 1.02 0.08 -4.96 119.74 118.36 3ncm s LYS 86 Ca 0.16 -0.35 -0.10 0.00 0.02 0.00 0.00 55.97 55.70 3ncm s LYS 86 Cb -0.04 0.42 0.01 0.00 -0.52 0.00 0.00 37.83 37.70 3ncm s LYS 86 CO 0.10 -0.41 0.18 0.16 -0.92 0.00 0.00 175.35 174.46 3ncm s ASP 87 N -2.55 5.65 -0.32 2.83 -4.77 -1.26 -1.16 116.67 115.09 3ncm s ASP 87 Ca 0.04 -0.71 -0.12 0.00 -3.30 0.00 0.00 52.55 48.46 3ncm s ASP 87 Cb -0.01 -2.02 -0.02 0.00 -1.09 0.00 0.00 42.92 39.78 3ncm s ASP 87 CO -0.09 -0.28 0.21 -0.63 0.70 0.00 0.00 175.17 175.08 3ncm s ILE 88 N 1.59 5.15 -0.19 2.11 1.09 0.71 -4.82 121.20 126.84 3ncm s ILE 88 Ca 0.04 -0.15 -0.26 0.00 -1.10 0.00 0.00 60.65 59.17 3ncm s ILE 88 Cb -0.18 -3.59 -0.01 0.00 -1.06 0.00 0.00 42.46 37.63 3ncm s ILE 88 CO 0.07 0.08 0.90 -1.10 -0.10 0.00 0.00 174.94 174.79 3ncm s GLN 89 N 1.71 4.28 -0.15 2.79 -0.21 0.12 0.36 119.66 128.56 3ncm s GLN 89 Ca 0.06 1.13 0.00 0.00 0.02 0.00 0.00 55.36 56.57 3ncm s GLN 89 Cb -0.17 -3.60 -0.00 0.00 1.00 0.00 0.00 33.01 30.23 3ncm s GLN 89 CO 0.10 -0.45 -0.15 0.08 -2.12 0.00 0.00 175.29 172.75 3ncm s VAL 90 N 2.55 2.72 0.20 1.09 1.01 -0.47 0.83 120.40 128.33 3ncm s VAL 90 Ca 0.40 -0.76 0.10 0.00 0.00 0.00 0.00 61.98 61.72 3ncm s VAL 90 Cb -0.16 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 3ncm s VAL 90 CO 0.10 0.52 -0.12 -0.63 0.00 0.00 0.00 175.10 174.97 3ncm s ILE 91 N 0.71 3.02 0.00 2.22 1.01 -0.68 0.50 121.20 127.98 3ncm s ILE 91 Ca -0.07 -1.83 0.00 0.00 0.00 0.00 0.00 60.65 58.75 3ncm s ILE 91 Cb -0.16 -2.52 0.00 0.00 0.01 0.00 0.00 42.46 39.80 3ncm s ILE 91 CO 0.02 -0.18 0.00 0.55 0.00 0.00 0.00 174.94 175.33