#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 -0.13 -0.36 -3.48 1.01 -1.24 -1.35 120.40 114.84 3ncm s VAL 2 Ca 0.00 -0.92 -0.16 0.00 0.00 0.00 0.00 61.98 60.90 3ncm s VAL 2 Cb 0.00 -0.98 -0.00 0.00 0.00 0.00 0.00 36.38 35.40 3ncm s VAL 2 CO 0.00 -0.71 0.40 -0.04 0.00 0.00 0.00 175.10 174.75 3ncm s MET 3 N 1.88 3.45 -0.25 2.72 -1.94 -0.83 -4.82 119.30 119.51 3ncm s MET 3 Ca 0.12 -0.47 -0.29 0.00 -1.71 0.00 0.00 55.69 53.34 3ncm s MET 3 Cb -0.17 -3.85 -0.02 0.00 2.01 0.00 0.00 34.83 32.81 3ncm s MET 3 CO -0.25 -0.62 1.49 -0.06 -0.01 0.00 0.00 175.02 175.57 3ncm s PHE 4 N 2.10 2.34 0.20 -0.03 0.40 -1.26 -0.30 117.98 121.42 3ncm s PHE 4 Ca 0.13 0.67 0.09 0.00 -0.60 0.00 0.00 56.93 57.22 3ncm s PHE 4 Cb -0.17 -3.95 -0.04 0.00 0.51 0.00 0.00 43.02 39.37 3ncm s PHE 4 CO 0.12 -2.45 -0.17 -1.59 0.70 0.00 0.00 175.22 171.84 3ncm s LYS 5 N 4.46 1.34 -0.75 0.44 -2.85 0.20 -4.90 119.74 117.68 3ncm s LYS 5 Ca 0.65 -1.53 -0.03 0.00 -1.00 0.00 0.00 55.97 54.06 3ncm s LYS 5 Cb -0.22 -1.28 0.01 0.00 -2.06 0.00 0.00 37.83 34.28 3ncm s LYS 5 CO 0.27 0.24 0.57 -1.71 0.10 0.00 0.00 175.35 174.81 3ncm n ASN 6 N -0.13 -4.57 -3.32 0.03 5.15 -1.26 -0.31 115.26 110.85 3ncm n ASN 6 Ca -0.10 -0.86 -0.25 0.00 -0.60 0.00 0.00 54.58 52.76 3ncm n ASN 6 Cb 0.59 -1.50 -0.08 0.00 -0.53 0.00 0.00 39.78 38.26 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 -2.31 2.94 -1.81 5.20 0.00 -1.26 -1.77 120.51 121.49 3ncm n ALA 7 Ca -0.29 -3.76 -0.38 0.00 0.00 0.00 0.00 53.44 49.01 3ncm n ALA 7 Cb 0.66 -0.84 -0.03 0.00 0.00 0.00 0.00 19.45 19.24 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 -1.34 2.55 0.02 0.00 0.05 -1.26 -4.91 135.00 130.12 3ncm s PRO 8 Ca 0.35 1.13 -0.06 0.00 0.05 0.00 0.00 61.00 62.48 3ncm s PRO 8 Cb 0.13 -4.44 -0.03 0.00 0.05 0.00 0.00 34.50 30.22 3ncm s PRO 8 CO -0.10 -2.79 1.10 1.79 0.05 0.00 0.00 177.00 177.05 3ncm h THR 9 N 7.21 0.00 -0.88 1.26 1.35 -1.88 -3.33 112.91 116.63 3ncm h THR 9 Ca -0.27 0.00 -0.38 0.00 -0.55 0.00 0.00 66.41 65.21 3ncm h THR 9 Cb 1.21 0.00 -0.06 0.00 -1.73 0.00 0.00 68.15 67.57 3ncm h THR 9 CO 1.15 0.00 0.95 -2.16 -0.25 0.00 0.00 175.52 175.21 3ncm s PRO 10 N -3.48 2.82 0.49 4.72 0.05 -1.25 0.03 135.00 138.38 3ncm s PRO 10 Ca -0.03 -0.46 0.09 0.00 0.05 0.00 0.00 61.00 60.64 3ncm s PRO 10 Cb 0.01 -5.10 0.04 0.00 0.05 0.00 0.00 34.50 29.50 3ncm s PRO 10 CO 0.10 -3.05 0.64 1.14 0.05 0.00 0.00 177.00 175.89 3ncm s GLN 11 N 6.49 2.57 -0.26 4.56 -2.07 0.24 -4.96 119.66 126.23 3ncm s GLN 11 Ca 0.64 -1.46 -0.10 0.00 -1.82 0.00 0.00 55.36 52.61 3ncm s GLN 11 Cb -0.05 -2.66 0.10 0.00 -1.09 0.00 0.00 33.01 29.31 3ncm s GLN 11 CO -0.02 -0.53 0.57 -2.00 -1.32 0.00 0.00 175.29 172.00 3ncm s GLU 12 N -4.47 0.52 0.00 9.60 2.12 -1.26 -1.53 118.70 123.69 3ncm s GLU 12 Ca 0.57 1.24 0.00 0.00 0.36 0.00 0.00 54.97 57.14 3ncm s GLU 12 Cb -0.07 0.51 0.00 0.00 0.26 0.00 0.00 34.13 34.83 3ncm s GLU 12 CO 0.35 -0.20 0.00 1.19 -0.54 0.00 0.00 175.26 176.06 3ncm n PHE 13 N 5.10 -0.42 -4.11 5.30 3.01 -0.36 -4.96 117.46 121.02 3ncm n PHE 13 Ca -0.14 -0.02 -0.36 0.00 1.01 0.00 0.00 57.45 57.94 3ncm n PHE 13 Cb 0.52 -0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.91 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 -2.02 3.21 0.15 -1.08 2.20 -1.26 -4.41 119.74 116.53 3ncm s LYS 14 Ca 0.00 -0.28 -0.31 0.00 -0.36 0.00 0.00 55.97 55.02 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 0.00 0.74 1.77 -1.21 -0.36 0.00 0.00 175.35 176.29 3ncm s GLU 15 N -1.03 4.14 -0.31 4.03 2.02 -1.26 -1.73 118.70 124.56 3ncm s GLU 15 Ca 0.15 2.57 0.00 0.00 0.02 0.00 0.00 54.97 57.71 3ncm s GLU 15 Cb -0.12 -3.41 0.00 0.00 0.10 0.00 0.00 34.13 30.70 3ncm s GLU 15 CO 0.04 -0.80 0.00 0.41 0.02 0.00 0.00 175.26 174.93 3ncm n GLY 16 N 4.12 0.55 3.71 -1.39 0.00 0.27 -5.02 105.19 107.43 3ncm n GLY 16 Ca 0.17 -0.91 -0.23 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.60 2.46 -0.86 1.61 2.56 0.10 -4.58 118.70 117.40 3ncm s GLU 17 Ca 0.00 -1.37 -0.25 0.00 0.00 0.00 0.00 54.97 53.35 3ncm s GLU 17 Cb 0.00 -2.26 0.04 0.00 2.00 0.00 0.00 34.13 33.91 3ncm s GLU 17 CO 0.00 0.30 1.36 -0.51 -0.56 0.00 0.00 175.26 175.85 3ncm s ASP 18 N -3.77 6.28 0.50 -1.70 1.11 -1.26 0.54 116.67 118.37 3ncm s ASP 18 Ca 0.34 -0.85 0.04 0.00 0.18 0.00 0.00 52.55 52.25 3ncm s ASP 18 Cb -0.06 -2.56 0.02 0.00 1.07 0.00 0.00 42.92 41.39 3ncm s ASP 18 CO 0.22 -1.72 0.70 0.00 1.18 0.00 0.00 175.17 175.55 3ncm s ALA 19 N 5.51 4.11 -0.03 5.23 0.00 0.20 -4.89 121.76 131.88 3ncm s ALA 19 Ca 0.40 -1.43 -0.04 0.00 0.00 0.00 0.00 51.96 50.89 3ncm s ALA 19 Cb -0.05 -1.92 0.01 0.00 0.00 0.00 0.00 23.12 21.16 3ncm s ALA 19 CO 0.05 -0.56 0.10 0.08 0.00 0.00 0.00 175.76 175.43 3ncm s VAL 20 N -2.61 0.01 -0.36 0.00 1.01 -1.26 0.34 120.40 117.54 3ncm s VAL 20 Ca 0.56 -0.10 -0.16 0.00 0.00 0.00 0.00 61.98 62.28 3ncm s VAL 20 Cb -0.10 -0.19 -0.00 0.00 0.00 0.00 0.00 36.38 36.09 3ncm s VAL 20 CO 0.36 -0.06 0.41 -0.63 0.00 0.00 0.00 175.10 175.18 3ncm s ILE 21 N -0.14 5.12 -0.21 2.22 1.01 0.13 -4.83 121.20 124.50 3ncm s ILE 21 Ca -0.02 0.05 -0.29 0.00 0.00 0.00 0.00 60.65 60.38 3ncm s ILE 21 Cb -0.02 -3.89 -0.01 0.00 0.01 0.00 0.00 42.46 38.56 3ncm s ILE 21 CO 0.00 -0.17 1.27 -0.69 0.00 0.00 0.00 174.94 175.36 3ncm s VAL 22 N 2.11 4.24 -0.48 2.92 1.01 -1.26 -2.15 120.40 126.80 3ncm s VAL 22 Ca 0.13 1.47 0.04 0.00 0.00 0.00 0.00 61.98 63.62 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 0.12 -0.25 0.81 0.00 0.00 0.00 0.00 175.10 175.78 3ncm s ASP 24 N 0.94 7.21 -0.13 0.00 -1.08 0.57 -4.31 116.67 119.87 3ncm s ASP 24 Ca 0.28 1.78 -0.09 0.00 -0.52 0.00 0.00 52.55 54.01 3ncm s ASP 24 Cb 0.03 -2.56 0.04 0.00 -1.46 0.00 0.00 42.92 38.97 3ncm s ASP 24 CO -0.06 -0.16 0.32 -0.69 0.52 0.00 0.00 175.17 175.10 3ncm s VAL 25 N -1.80 -0.02 -0.92 1.11 1.01 -1.26 0.58 120.40 119.10 3ncm s VAL 25 Ca 0.54 0.08 -0.16 0.00 0.00 0.00 0.00 61.98 62.44 3ncm s VAL 25 Cb -0.15 -0.47 0.18 0.00 0.00 0.00 0.00 36.38 35.94 3ncm s VAL 25 CO 0.20 0.03 0.99 -0.69 0.00 0.00 0.00 175.10 175.64 3ncm s VAL 26 N 0.88 5.24 0.09 2.92 1.01 0.59 -4.88 120.40 126.26 3ncm s VAL 26 Ca -0.06 -2.19 -0.20 0.00 0.00 0.00 0.00 61.98 59.53 3ncm s VAL 26 Cb -0.07 -4.64 -0.07 0.00 0.00 0.00 0.00 36.38 31.60 3ncm s VAL 26 CO -0.06 -1.28 0.61 -0.44 0.00 0.00 0.00 175.10 173.92 3ncm s SER 27 N 2.75 7.12 -0.42 3.32 0.01 -1.26 -1.97 113.70 123.26 3ncm s SER 27 Ca 0.27 1.33 0.03 0.00 1.31 0.00 0.00 55.95 58.89 3ncm s SER 27 Cb -0.07 -2.38 0.59 0.00 0.21 0.00 0.00 66.02 64.36 3ncm s SER 27 CO -0.08 0.26 1.84 -0.24 0.41 0.00 0.00 173.24 175.42 3ncm n SER 28 N 1.65 3.89 -3.79 2.44 2.88 -0.46 -4.96 113.62 115.27 3ncm n SER 28 Ca -0.09 -3.46 -0.06 0.00 -1.33 0.00 0.00 58.87 53.93 3ncm n SER 28 Cb 0.50 -0.82 -0.02 0.00 -0.75 0.00 0.00 64.21 63.13 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 -2.99 -0.23 0.21 2.46 1.43 -1.26 -4.81 118.68 113.49 3ncm s LEU 29 Ca 0.52 -0.58 -0.11 0.00 -1.03 0.00 0.00 54.13 52.93 3ncm s LEU 29 Cb 0.43 2.58 0.30 0.00 0.03 0.00 0.00 46.19 49.53 3ncm s LEU 29 CO 0.09 -1.24 1.67 -0.65 0.23 0.00 0.00 176.35 176.45 3ncm h PRO 30 N 2.00 0.13 0.00 1.29 0.10 -1.98 -3.43 132.00 130.11 3ncm h PRO 30 Ca -0.21 -0.01 -0.00 0.00 0.10 0.00 0.00 66.00 65.88 3ncm h PRO 30 Cb 1.24 -0.03 0.00 0.00 0.10 0.00 0.00 31.00 32.31 3ncm h PRO 30 CO 0.24 0.09 -0.00 -2.30 0.10 0.00 0.00 178.00 176.13 3ncm n PRO 31 N -5.25 -0.54 0.00 1.05 -0.01 -1.26 -5.07 135.00 123.92 3ncm n PRO 31 Ca 0.09 -0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.58 3ncm n PRO 31 Cb 0.35 -0.00 0.00 0.00 -0.01 0.00 0.00 33.50 33.84 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 -2.64 0.00 -3.22 3.45 -1.04 -0.62 -4.94 114.28 105.27 3ncm n THR 32 Ca 0.00 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.64 3ncm n THR 32 Cb 0.00 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 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 -1.96 4.69 -0.15 12.58 2.07 -1.26 0.34 121.20 137.50 3ncm s ILE 33 Ca 0.00 1.15 -0.03 0.00 -1.41 0.00 0.00 60.65 60.36 3ncm s ILE 33 Cb 0.00 -3.85 -0.03 0.00 0.13 0.00 0.00 42.46 38.71 3ncm s ILE 33 CO 0.00 0.34 -0.05 -0.63 -1.91 0.00 0.00 174.94 172.70 3ncm s ILE 34 N -1.36 3.83 -0.43 2.00 1.09 0.27 -4.86 121.20 121.74 3ncm s ILE 34 Ca 0.37 -0.38 -0.22 0.00 -1.10 0.00 0.00 60.65 59.32 3ncm s ILE 34 Cb -0.17 -2.67 0.02 0.00 -1.06 0.00 0.00 42.46 38.58 3ncm s ILE 34 CO 0.20 0.50 0.70 0.26 -0.10 0.00 0.00 174.94 176.51 3ncm s TRP 35 N 0.30 3.05 0.01 3.97 0.52 -1.26 -1.30 118.94 124.23 3ncm s TRP 35 Ca -0.04 0.09 0.00 0.00 0.02 0.00 0.00 56.10 56.17 3ncm s TRP 35 Cb -0.14 -3.45 0.00 0.00 -1.15 0.00 0.00 33.47 28.73 3ncm s TRP 35 CO 0.03 -0.89 0.01 1.63 0.02 0.00 0.00 176.95 177.75 3ncm n LYS 36 N 6.42 1.50 -1.18 4.98 5.02 -0.56 -0.92 118.16 133.42 3ncm n LYS 36 Ca 0.00 -0.06 0.15 0.00 -2.02 0.00 0.00 58.31 56.37 3ncm n LYS 36 Cb 0.48 0.01 -0.07 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 -0.52 0.00 0.00 177.40 178.46 3ncm n HIS 37 N -0.51 -3.15 0.00 2.13 -0.00 -1.26 -1.77 115.22 110.67 3ncm n HIS 37 Ca -0.00 1.71 0.00 0.00 0.46 0.00 0.00 57.72 59.89 3ncm n HIS 37 Cb 0.01 -2.86 0.00 0.00 -0.12 0.00 0.00 29.99 27.02 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 -3.95 0.00 -1.43 1.57 0.00 -1.26 -3.80 118.16 109.29 3ncm n LYS 38 Ca -0.06 0.00 0.01 0.00 0.00 0.00 0.00 58.31 58.26 3ncm n LYS 38 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.59 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 0.00 0.91 2.96 3.14 0.00 -1.26 -5.08 105.19 105.87 3ncm n GLY 39 Ca 0.00 -0.65 -0.02 0.00 0.00 0.00 0.00 46.02 45.35 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 0.33 -2.01 -2.46 1.61 3.00 -1.25 -4.64 116.66 111.24 3ncm n ARG 40 Ca -0.02 1.85 -0.02 0.00 -0.01 0.00 0.00 57.85 59.64 3ncm n ARG 40 Cb 1.03 -3.39 -0.02 0.00 0.00 0.00 0.00 32.46 30.09 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 0.87 -5.32 0.09 0.55 -0.08 -1.25 -4.85 116.55 106.55 3ncm n ASP 41 Ca 0.00 1.55 -0.07 0.00 -1.51 0.00 0.00 54.79 54.76 3ncm n ASP 41 Cb 0.27 -4.61 -0.02 0.00 2.34 0.00 0.00 41.12 39.09 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 4.29 1.57 0.00 5.18 -1.51 -1.29 -3.24 116.25 121.25 3ncm h VAL 42 Ca -0.20 -2.84 0.00 0.00 -1.23 0.00 0.00 66.70 62.43 3ncm h VAL 42 Cb 0.45 2.57 0.00 0.00 -2.13 0.00 0.00 31.29 32.18 3ncm h VAL 42 CO 0.00 0.82 0.03 0.40 -1.23 0.00 0.00 177.57 177.59 3ncm h ILE 43 N 0.05 0.00 0.00 7.19 2.04 -1.91 0.32 117.51 125.20 3ncm h ILE 43 Ca -0.03 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.68 3ncm h ILE 43 Cb 1.55 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 38.31 3ncm h ILE 43 CO 0.13 0.00 -1.32 -0.07 0.00 0.00 0.00 178.15 176.89 3ncm h LEU 44 N 0.00 0.00 0.02 1.44 4.07 -1.88 -3.38 115.31 115.57 3ncm h LEU 44 Ca 0.00 0.00 -0.38 0.00 0.08 0.00 0.00 57.88 57.58 3ncm h LEU 44 Cb 0.06 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 41.74 3ncm h LEU 44 CO 0.00 0.52 -2.40 2.29 -1.08 0.00 0.00 178.44 177.77 3ncm n LYS 45 N -2.89 0.67 -3.89 1.13 2.85 -0.54 -5.02 118.16 110.46 3ncm n LYS 45 Ca -0.08 0.15 -0.32 0.00 -1.05 0.00 0.00 58.31 57.01 3ncm n LYS 45 Cb 0.81 -1.55 0.01 0.00 -0.65 0.00 0.00 35.03 33.65 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 -1.80 -0.68 -1.58 4.76 0.10 -4.92 118.16 110.80 3ncm n LYS 46 Ca -0.42 0.35 -0.33 0.00 -2.87 0.00 0.00 58.31 55.04 3ncm n LYS 46 Cb 1.01 -3.96 0.17 0.00 -1.84 0.00 0.00 35.03 30.41 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 -2.38 0.30 4.39 9.92 -1.26 -4.83 116.55 119.97 3ncm n ASP 47 Ca -0.19 -0.11 0.19 0.00 -0.53 0.00 0.00 54.79 54.14 3ncm n ASP 47 Cb 0.63 -0.95 0.96 0.00 -0.64 0.00 0.00 41.12 41.12 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 -2.03 0.18 -1.55 2.53 -1.51 -2.01 -3.08 116.25 108.78 3ncm h VAL 48 Ca -0.53 -0.25 -0.64 0.00 -1.23 0.00 0.00 66.70 64.05 3ncm h VAL 48 Cb 1.36 1.20 -0.37 0.00 -2.13 0.00 0.00 31.29 31.35 3ncm h VAL 48 CO 0.38 0.03 -0.18 -2.11 -1.23 0.00 0.00 177.57 174.46 3ncm n ARG 49 N -3.28 3.23 -3.46 5.19 1.85 -1.26 -4.92 116.66 114.01 3ncm n ARG 49 Ca -0.02 -4.15 -0.21 0.00 -1.00 0.00 0.00 57.85 52.47 3ncm n ARG 49 Cb 0.17 -2.26 -0.12 0.00 -1.05 0.00 0.00 32.46 29.20 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 -3.71 -0.21 -0.18 2.89 0.40 -1.17 -1.48 117.98 114.53 3ncm s PHE 50 Ca 0.50 -0.24 -0.00 0.00 -0.60 0.00 0.00 56.93 56.59 3ncm s PHE 50 Cb 0.42 -0.55 0.05 0.00 0.51 0.00 0.00 43.02 43.45 3ncm s PHE 50 CO -0.22 -0.80 -0.06 0.42 0.70 0.00 0.00 175.22 175.26 3ncm s ILE 51 N 2.28 1.26 0.36 0.64 -1.09 -0.65 -4.74 121.20 119.27 3ncm s ILE 51 Ca 0.08 -0.80 -0.24 0.00 -2.23 0.00 0.00 60.65 57.46 3ncm s ILE 51 Cb -0.15 -1.45 -0.10 0.00 -1.58 0.00 0.00 42.46 39.18 3ncm s ILE 51 CO -0.28 0.09 0.94 -0.69 -1.23 0.00 0.00 174.94 173.77 3ncm s VAL 52 N 1.55 4.29 0.30 2.92 1.01 -1.26 -1.17 120.40 128.04 3ncm s VAL 52 Ca -0.01 1.68 0.07 0.00 0.00 0.00 0.00 61.98 63.72 3ncm s VAL 52 Cb -0.16 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.35 3ncm s VAL 52 CO -0.08 -0.04 0.35 -0.76 0.00 0.00 0.00 175.10 174.57 3ncm s LEU 53 N -2.50 3.93 0.66 3.92 1.43 -0.15 -4.92 118.68 121.05 3ncm s LEU 53 Ca 0.55 -0.22 0.43 0.00 -1.03 0.00 0.00 54.13 53.86 3ncm s LEU 53 Cb -0.15 -2.56 2.37 0.00 0.03 0.00 0.00 46.19 45.88 3ncm s LEU 53 CO 0.19 -0.25 2.36 0.77 0.23 0.00 0.00 176.35 179.65 3ncm h SER 54 N 1.16 0.00 -0.35 2.29 4.64 -1.97 -1.58 113.55 117.74 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 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3ncm h SER 54 CO 0.58 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.08 3ncm n ASN 55 N -3.16 3.39 -1.16 4.97 6.94 -1.26 -4.90 115.26 120.09 3ncm n ASN 55 Ca -0.03 -2.41 -0.10 0.00 -0.02 0.00 0.00 54.58 52.01 3ncm n ASN 55 Cb 0.08 -0.53 -0.01 0.00 -2.36 0.00 0.00 39.78 36.96 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 0.45 -3.46 -4.89 0.53 4.13 -0.59 -4.17 115.26 107.25 3ncm n ASN 56 Ca 0.16 0.00 -0.22 0.00 1.68 0.00 0.00 54.58 56.20 3ncm n ASN 56 Cb 0.70 -2.68 -0.03 0.00 -1.54 0.00 0.00 39.78 36.22 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 -2.51 3.27 -0.33 3.10 1.51 -1.25 -4.19 117.35 116.95 3ncm s TYR 57 Ca 0.00 -0.07 0.04 0.00 -1.01 0.00 0.00 57.07 56.03 3ncm s TYR 57 Cb 0.00 -1.48 0.10 0.00 -0.11 0.00 0.00 41.96 40.47 3ncm s TYR 57 CO 0.00 0.49 0.04 -1.17 -1.11 0.00 0.00 175.55 173.80 3ncm s LEU 58 N -3.89 4.49 -0.59 -1.29 2.96 -0.91 -0.98 118.68 118.46 3ncm s LEU 58 Ca 0.33 -2.06 -0.27 0.00 -0.22 0.00 0.00 54.13 51.91 3ncm s LEU 58 Cb -0.08 -1.57 0.01 0.00 0.50 0.00 0.00 46.19 45.05 3ncm s LEU 58 CO 0.27 -0.37 1.49 -1.10 -1.32 0.00 0.00 176.35 175.32 3ncm s GLN 59 N 0.97 3.16 -0.36 1.98 -0.21 -0.32 -0.69 119.66 124.18 3ncm s GLN 59 Ca 0.09 0.40 -0.17 0.00 0.02 0.00 0.00 55.36 55.70 3ncm s GLN 59 Cb -0.19 -4.18 -0.00 0.00 1.00 0.00 0.00 33.01 29.63 3ncm s GLN 59 CO -0.09 -2.11 0.44 0.42 -2.12 0.00 0.00 175.29 171.83 3ncm s ILE 60 N 6.57 5.08 -0.27 1.08 1.01 0.15 -1.63 121.20 133.20 3ncm s ILE 60 Ca 0.53 0.10 -0.29 0.00 0.00 0.00 0.00 60.65 60.99 3ncm s ILE 60 Cb -0.11 -3.93 -0.01 0.00 0.01 0.00 0.00 42.46 38.43 3ncm s ILE 60 CO 0.23 -0.21 1.36 -0.60 0.00 0.00 0.00 174.94 175.71 3ncm s ARG 61 N 2.21 3.93 0.00 2.79 3.00 -0.55 -0.63 118.95 129.70 3ncm s ARG 61 Ca 0.15 1.37 0.00 0.00 -1.00 0.00 0.00 55.73 56.25 3ncm s ARG 61 Cb -0.16 -3.90 0.00 0.00 0.00 0.00 0.00 34.95 30.89 3ncm s ARG 61 CO 0.13 -1.11 0.00 0.41 0.00 0.00 0.00 175.30 174.73 3ncm n GLY 62 N 4.30 2.82 3.65 8.12 0.00 0.19 -4.79 105.19 119.48 3ncm n GLY 62 Ca 0.15 -0.68 -0.24 0.00 0.00 0.00 0.00 46.02 45.26 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 -4.35 -1.08 -0.61 0.13 -1.11 0.95 119.36 113.29 3ncm n ILE 63 Ca 0.00 -0.00 -0.32 0.00 -1.10 0.00 0.00 62.75 61.33 3ncm n ILE 63 Cb 0.00 -3.56 0.12 0.00 -0.84 0.00 0.00 39.64 35.36 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 -4.30 1.68 0.59 9.51 1.02 -1.26 -3.66 119.74 123.31 3ncm s LYS 64 Ca 0.07 1.53 0.33 0.00 0.02 0.00 0.00 55.97 57.91 3ncm s LYS 64 Cb -0.01 -1.80 1.83 0.00 -0.52 0.00 0.00 37.83 37.33 3ncm s LYS 64 CO 0.88 -2.14 2.22 -0.22 -0.92 0.00 0.00 175.35 175.16 3ncm h LYS 65 N -1.17 0.00 0.00 1.68 3.64 -1.93 -1.43 116.57 117.37 3ncm h LYS 65 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 3ncm h LYS 65 Cb 1.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 3ncm h LYS 65 CO 0.46 0.04 -0.31 1.79 -2.27 0.00 0.00 179.45 179.16 3ncm h THR 66 N 0.00 0.00 0.00 1.00 1.35 -2.02 -3.29 112.91 109.95 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 0.13 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 3ncm h THR 66 CO 0.00 0.00 -0.87 0.44 -0.25 0.00 0.00 175.52 174.85 3ncm h ASP 67 N 0.00 0.00 -4.09 5.36 5.19 -1.60 -3.47 116.42 117.80 3ncm h ASP 67 Ca 0.00 -0.02 -0.51 0.00 -0.62 0.00 0.00 57.03 55.87 3ncm h ASP 67 Cb 0.83 0.00 0.09 0.00 0.18 0.00 0.00 39.33 40.43 3ncm h ASP 67 CO 0.00 0.01 0.45 -1.83 -3.12 0.00 0.00 179.24 174.75 3ncm s GLU 68 N -3.33 3.16 0.00 3.56 -1.05 -1.17 -4.84 118.70 115.04 3ncm s GLU 68 Ca 0.01 1.71 0.00 0.00 -0.15 0.00 0.00 54.97 56.54 3ncm s GLU 68 Cb 0.09 -1.97 0.00 0.00 -0.44 0.00 0.00 34.13 31.82 3ncm s GLU 68 CO 0.77 -1.02 0.00 0.41 0.95 0.00 0.00 175.26 176.37 3ncm n GLY 69 N 0.32 -0.78 2.69 -3.83 0.00 0.19 -4.96 105.19 98.81 3ncm n GLY 69 Ca 0.13 0.41 -0.21 0.00 0.00 0.00 0.00 46.02 46.35 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 -0.28 0.06 2.61 2.01 -1.26 -0.03 115.64 118.74 3ncm s THR 70 Ca 0.00 -0.51 -0.28 0.00 0.31 0.00 0.00 61.69 61.21 3ncm s THR 70 Cb 0.00 -0.93 -0.05 0.00 0.01 0.00 0.00 72.50 71.53 3ncm s THR 70 CO 0.00 -0.51 0.88 -0.31 -0.69 0.00 0.00 174.62 173.99 3ncm s TYR 71 N 2.27 3.74 -0.30 4.92 1.51 0.12 -4.39 117.35 125.23 3ncm s TYR 71 Ca 0.09 1.63 -0.16 0.00 -1.01 0.00 0.00 57.07 57.61 3ncm s TYR 71 Cb -0.15 -2.96 -0.02 0.00 -0.11 0.00 0.00 41.96 38.72 3ncm s TYR 71 CO -0.31 0.19 0.44 0.50 -1.11 0.00 0.00 175.55 175.26 3ncm s ARG 72 N 0.20 3.86 -0.21 -0.62 3.52 -0.73 -0.40 118.95 124.57 3ncm s ARG 72 Ca 0.44 -0.02 -0.29 0.00 -0.13 0.00 0.00 55.73 55.73 3ncm s ARG 72 Cb -0.22 -3.72 0.01 0.00 -1.56 0.00 0.00 34.95 29.46 3ncm s ARG 72 CO 0.26 -0.43 1.02 0.00 -0.81 0.00 0.00 175.30 175.35 3ncm s GLU 74 N 3.00 2.21 -0.49 0.00 2.02 -0.42 -0.83 118.70 124.19 3ncm s GLU 74 Ca 0.44 -3.06 -0.26 0.00 0.02 0.00 0.00 54.97 52.11 3ncm s GLU 74 Cb -0.15 -3.22 -0.06 0.00 0.10 0.00 0.00 34.13 30.80 3ncm s GLU 74 CO 0.08 -1.25 2.31 0.20 0.02 0.00 0.00 175.26 176.62 3ncm s GLY 75 N -1.04 -0.28 -0.13 -1.39 0.00 0.26 -0.57 107.32 104.17 3ncm s GLY 75 Ca 0.23 -0.02 0.01 0.00 0.00 0.00 0.00 44.72 44.95 3ncm s GLY 75 CO -0.13 4.01 -0.17 -1.60 0.00 0.00 0.00 173.10 175.21 3ncm s ARG 76 N 7.95 3.23 -0.07 2.90 3.52 0.15 -0.01 118.95 136.62 3ncm s ARG 76 Ca 0.93 -0.77 -0.02 0.00 -0.13 0.00 0.00 55.73 55.75 3ncm s ARG 76 Cb -0.17 -2.52 0.03 0.00 -1.56 0.00 0.00 34.95 30.72 3ncm s ARG 76 CO 0.26 0.15 0.01 0.42 -0.81 0.00 0.00 175.30 175.33 3ncm s ILE 77 N 0.47 0.30 -0.69 4.11 1.09 0.82 -1.59 121.20 125.72 3ncm s ILE 77 Ca -0.12 0.14 -0.04 0.00 -1.10 0.00 0.00 60.65 59.53 3ncm s ILE 77 Cb -0.16 -0.50 0.10 0.00 -1.06 0.00 0.00 42.46 40.84 3ncm s ILE 77 CO 0.05 0.22 2.62 0.18 -0.10 0.00 0.00 174.94 177.91 3ncm n LEU 78 N 5.17 6.91 0.21 2.97 4.77 -1.26 0.21 117.00 135.98 3ncm n LEU 78 Ca -0.07 -4.33 0.00 0.00 -0.03 0.00 0.00 56.01 51.58 3ncm n LEU 78 Cb 0.50 -1.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.34 3ncm n LEU 78 CO 0.10 1.82 0.00 0.00 -1.33 0.00 0.00 177.39 177.98 3ncm n ALA 79 N 0.96 1.17 0.00 -1.18 0.00 -1.26 -5.01 120.51 115.19 3ncm n ALA 79 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.96 3ncm n ALA 79 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 3ncm n ALA 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ncm n ARG 80 N -3.50 0.00 0.27 0.00 1.74 -1.26 -4.82 116.66 109.09 3ncm n ARG 80 Ca 0.00 0.00 0.18 0.00 -0.77 0.00 0.00 57.85 57.26 3ncm n ARG 80 Cb 0.00 -0.45 0.89 0.00 -1.02 0.00 0.00 32.46 31.88 3ncm n ARG 80 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3ncm h GLY 81 N 0.00 0.00 0.00 -0.13 0.00 -1.83 -3.44 103.07 97.66 3ncm h GLY 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ncm h GLY 81 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.54 174.70 3ncm n GLU 82 N -2.84 0.00 -3.65 4.80 0.28 0.13 -4.47 120.64 114.89 3ncm n GLU 82 Ca -0.01 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.60 3ncm n GLU 82 Cb 0.14 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 32.89 3ncm n GLU 82 CO 0.00 0.00 0.00 0.96 -0.16 0.00 0.00 177.13 177.93 3ncm s ILE 83 N 0.00 4.41 0.14 3.84 -4.36 -1.26 -0.12 121.20 123.84 3ncm s ILE 83 Ca 0.00 -0.73 0.10 0.00 -0.26 0.00 0.00 60.65 59.76 3ncm s ILE 83 Cb 0.00 -3.38 -0.04 0.00 1.25 0.00 0.00 42.46 40.29 3ncm s ILE 83 CO 0.00 -0.09 -0.24 0.20 0.24 0.00 0.00 174.94 175.05 3ncm s ASN 84 N 1.55 3.50 0.38 4.36 -0.87 0.99 -4.99 114.94 119.86 3ncm s ASN 84 Ca 0.02 -0.71 -0.15 0.00 -1.57 0.00 0.00 52.86 50.45 3ncm s ASN 84 Cb -0.18 -0.32 0.05 0.00 -0.02 0.00 0.00 41.25 40.78 3ncm s ASN 84 CO 0.06 0.17 0.77 0.72 -2.57 0.00 0.00 177.10 176.25 3ncm s PHE 85 N -1.17 0.14 -0.10 2.20 -0.12 -1.26 0.90 117.98 118.57 3ncm s PHE 85 Ca 0.16 -0.79 -0.32 0.00 -0.05 0.00 0.00 56.93 55.93 3ncm s PHE 85 Cb -0.10 0.80 0.12 0.00 -0.63 0.00 0.00 43.02 43.21 3ncm s PHE 85 CO 0.08 -1.54 1.05 0.15 -0.05 0.00 0.00 175.22 174.91 3ncm s LYS 86 N -2.41 0.55 -0.29 1.99 1.02 -0.01 -4.97 119.74 115.61 3ncm s LYS 86 Ca 0.16 -0.19 -0.10 0.00 0.02 0.00 0.00 55.97 55.85 3ncm s LYS 86 Cb -0.05 0.25 -0.03 0.00 -0.52 0.00 0.00 37.83 37.49 3ncm s LYS 86 CO 0.12 -0.24 0.16 0.16 -0.92 0.00 0.00 175.35 174.63 3ncm s ASP 87 N -2.28 5.72 -0.27 2.83 -4.77 -1.26 -0.63 116.67 116.00 3ncm s ASP 87 Ca 0.07 -0.25 -0.10 0.00 -3.30 0.00 0.00 52.55 48.97 3ncm s ASP 87 Cb -0.01 -2.05 -0.04 0.00 -1.09 0.00 0.00 42.92 39.73 3ncm s ASP 87 CO -0.07 -0.11 0.15 -0.63 0.70 0.00 0.00 175.17 175.22 3ncm s ILE 88 N 1.69 4.99 -0.40 2.11 1.09 0.46 -4.82 121.20 126.32 3ncm s ILE 88 Ca 0.06 0.04 -0.24 0.00 -1.10 0.00 0.00 60.65 59.40 3ncm s ILE 88 Cb -0.16 -3.37 0.02 0.00 -1.06 0.00 0.00 42.46 37.88 3ncm s ILE 88 CO 0.08 0.26 0.86 -1.58 -0.10 0.00 0.00 174.94 174.46 3ncm s GLN 89 N 1.71 3.68 -0.14 2.79 0.74 0.10 0.16 119.66 128.71 3ncm s GLN 89 Ca 0.07 0.30 -0.04 0.00 0.05 0.00 0.00 55.36 55.73 3ncm s GLN 89 Cb -0.16 -3.85 -0.03 0.00 1.10 0.00 0.00 33.01 30.07 3ncm s GLN 89 CO 0.09 -1.00 0.01 0.08 -0.55 0.00 0.00 175.29 173.91 3ncm s VAL 90 N 3.38 4.30 0.21 1.34 1.01 0.95 0.82 120.40 132.41 3ncm s VAL 90 Ca 0.34 -0.22 0.09 0.00 0.00 0.00 0.00 61.98 62.19 3ncm s VAL 90 Cb -0.12 -2.88 -0.05 0.00 0.00 0.00 0.00 36.38 33.34 3ncm s VAL 90 CO 0.20 0.52 -0.17 -0.63 0.00 0.00 0.00 175.10 175.03 3ncm s ILE 91 N -0.05 1.93 0.00 2.22 1.01 -0.58 0.57 121.20 126.30 3ncm s ILE 91 Ca 0.04 -2.17 0.00 0.00 0.00 0.00 0.00 60.65 58.52 3ncm s ILE 91 Cb -0.13 -2.04 0.00 0.00 0.01 0.00 0.00 42.46 40.30 3ncm s ILE 91 CO 0.02 -0.47 0.00 0.55 0.00 0.00 0.00 174.94 175.04