#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ncm n VAL 2 N 0.00 0.00 -3.34 5.15 0.24 -1.26 -5.03 118.33 114.09 2ncm n VAL 2 Ca 0.00 -1.49 -0.13 0.00 -2.04 0.00 0.00 64.34 60.67 2ncm n VAL 2 Cb 0.00 1.21 -0.07 0.00 -1.47 0.00 0.00 33.84 33.51 2ncm n VAL 2 CO 0.00 0.00 0.00 -1.48 -2.14 0.00 0.00 176.83 173.21 2ncm s LEU 3 N -2.80 -0.40 0.18 1.34 2.34 -1.26 -2.68 118.68 115.40 2ncm s LEU 3 Ca 0.22 -1.16 -0.08 0.00 0.06 0.00 0.00 54.13 53.17 2ncm s LEU 3 Cb 0.35 0.83 -0.06 0.00 -0.56 0.00 0.00 46.19 46.75 2ncm s LEU 3 CO -0.07 -0.28 0.47 -1.58 -1.06 0.00 0.00 176.35 173.83 2ncm s GLN 4 N 1.80 3.74 -0.02 1.48 2.00 -0.65 -4.61 119.66 123.40 2ncm s GLN 4 Ca 0.15 0.14 -0.06 0.00 -2.00 0.00 0.00 55.36 53.59 2ncm s GLN 4 Cb -0.13 -2.75 0.00 0.00 0.80 0.00 0.00 33.01 30.93 2ncm s GLN 4 CO -0.12 0.39 0.12 0.08 -0.50 0.00 0.00 175.29 175.26 2ncm s VAL 5 N -1.72 0.06 -0.28 1.34 1.01 -1.26 -1.56 120.40 117.98 2ncm s VAL 5 Ca 0.44 -0.47 -0.19 0.00 0.00 0.00 0.00 61.98 61.76 2ncm s VAL 5 Cb -0.12 -0.34 0.08 0.00 0.00 0.00 0.00 36.38 36.00 2ncm s VAL 5 CO 0.22 -0.26 0.71 -1.81 0.00 0.00 0.00 175.10 173.97 2ncm s ASP 6 N -0.87 -0.87 -0.24 3.32 1.01 -0.78 -4.80 116.67 113.43 2ncm s ASP 6 Ca -0.10 1.47 -0.11 0.00 0.71 0.00 0.00 52.55 54.53 2ncm s ASP 6 Cb -0.05 1.40 -0.05 0.00 1.01 0.00 0.00 42.92 45.23 2ncm s ASP 6 CO 0.01 -0.24 0.18 -0.63 0.21 0.00 0.00 175.17 174.70 2ncm s ILE 7 N 1.24 5.34 -0.17 0.77 1.01 -1.26 -1.87 121.20 126.27 2ncm s ILE 7 Ca -0.07 0.20 -0.05 0.00 0.00 0.00 0.00 60.65 60.74 2ncm s ILE 7 Cb -0.05 -3.52 -0.03 0.00 0.01 0.00 0.00 42.46 38.88 2ncm s ILE 7 CO -0.14 0.33 -0.01 -0.69 0.00 0.00 0.00 174.94 174.43 2ncm s VAL 8 N 1.17 4.04 0.29 2.92 1.01 -0.83 -3.87 120.40 125.14 2ncm s VAL 8 Ca 0.08 -0.30 -0.05 0.00 0.00 0.00 0.00 61.98 61.71 2ncm s VAL 8 Cb -0.14 -2.80 0.07 0.00 0.00 0.00 0.00 36.38 33.51 2ncm s VAL 8 CO 0.06 0.47 0.39 -0.81 0.00 0.00 0.00 175.10 175.21 2ncm n PRO 9 N 3.73 -0.41 -0.04 2.72 -0.04 -1.26 -2.03 135.00 137.67 2ncm n PRO 9 Ca -0.17 -0.61 -0.15 0.00 -0.04 0.00 0.00 63.50 62.53 2ncm n PRO 9 Cb 0.52 -0.41 -0.13 0.00 -0.04 0.00 0.00 33.50 33.45 2ncm n PRO 9 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2ncm h SER 10 N -0.54 0.10 -3.34 3.54 4.64 -1.93 -3.45 113.55 112.57 2ncm h SER 10 Ca -0.13 -0.93 -0.53 0.00 -0.47 0.00 0.00 61.79 59.73 2ncm h SER 10 Cb 0.35 -0.03 -0.39 0.00 -0.31 0.00 0.00 62.40 62.02 2ncm h SER 10 CO 0.09 1.03 -0.77 0.00 -0.87 0.00 0.00 176.83 176.30 2ncm s GLN 11 N -2.49 0.98 -0.37 4.77 -2.07 -1.26 -1.64 119.66 117.58 2ncm s GLN 11 Ca -0.18 -0.47 -0.07 0.00 -1.82 0.00 0.00 55.36 52.82 2ncm s GLN 11 Cb -0.02 -2.04 0.06 0.00 -1.09 0.00 0.00 33.01 29.93 2ncm s GLN 11 CO 0.72 -0.55 0.17 0.20 -1.32 0.00 0.00 175.29 174.51 2ncm s GLY 12 N 1.75 1.90 -0.04 2.60 0.00 -0.51 -5.00 107.32 108.02 2ncm s GLY 12 Ca -0.01 -1.98 -0.21 0.00 0.00 0.00 0.00 44.72 42.52 2ncm s GLY 12 CO -0.07 0.87 0.62 -0.54 0.00 0.00 0.00 173.10 173.98 2ncm s GLU 13 N 1.38 4.37 0.12 2.90 2.02 -1.26 -1.64 118.70 126.58 2ncm s GLU 13 Ca 0.01 0.76 -0.07 0.00 0.02 0.00 0.00 54.97 55.69 2ncm s GLU 13 Cb -0.21 -3.39 -0.01 0.00 0.10 0.00 0.00 34.13 30.61 2ncm s GLU 13 CO 0.02 0.23 0.19 0.42 0.02 0.00 0.00 175.26 176.13 2ncm s ILE 14 N 0.27 0.11 0.14 -1.63 1.09 -0.72 -4.95 121.20 115.52 2ncm s ILE 14 Ca 0.33 -1.43 0.03 0.00 -1.10 0.00 0.00 60.65 58.48 2ncm s ILE 14 Cb -0.18 -1.66 -0.04 0.00 -1.06 0.00 0.00 42.46 39.53 2ncm s ILE 14 CO 0.17 -0.52 0.21 -0.94 -0.10 0.00 0.00 174.94 173.76 2ncm s SER 15 N -2.94 5.99 0.30 3.58 1.04 -1.26 -1.99 113.70 118.43 2ncm s SER 15 Ca 0.13 0.06 -0.30 0.00 0.48 0.00 0.00 55.95 56.32 2ncm s SER 15 Cb 0.05 -1.72 -0.11 0.00 0.10 0.00 0.00 66.02 64.34 2ncm s SER 15 CO -0.05 0.07 1.54 -0.69 0.98 0.00 0.00 173.24 175.09 2ncm s VAL 16 N -1.71 2.18 0.00 5.02 1.01 -0.81 -1.91 120.40 124.17 2ncm s VAL 16 Ca 0.33 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.47 2ncm s VAL 16 Cb -0.11 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.17 2ncm s VAL 16 CO 0.26 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.00 2ncm n GLY 17 N 1.77 0.85 3.85 4.51 0.00 -1.05 -4.92 105.19 110.19 2ncm n GLY 17 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 2ncm n GLY 17 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ncm s GLU 18 N -0.69 3.04 0.06 1.61 0.41 -0.80 -4.73 118.70 117.61 2ncm s GLU 18 Ca 0.00 -0.92 0.01 0.00 -0.41 0.00 0.00 54.97 53.65 2ncm s GLU 18 Cb 0.00 -2.67 -0.04 0.00 -1.78 0.00 0.00 34.13 29.64 2ncm s GLU 18 CO 0.00 0.44 0.17 -1.54 -0.49 0.00 0.00 175.26 173.84 2ncm s SER 19 N -3.61 6.14 -0.14 -0.19 1.04 -1.14 -2.51 113.70 113.28 2ncm s SER 19 Ca 0.33 0.20 -0.05 0.00 0.48 0.00 0.00 55.95 56.91 2ncm s SER 19 Cb -0.09 -1.83 0.07 0.00 0.10 0.00 0.00 66.02 64.27 2ncm s SER 19 CO 0.25 0.18 0.27 -1.59 0.98 0.00 0.00 173.24 173.34 2ncm s LYS 20 N -2.43 0.17 0.08 4.02 0.00 -0.74 -4.98 119.74 115.85 2ncm s LYS 20 Ca 0.33 0.73 0.07 0.00 0.00 0.00 0.00 55.97 57.10 2ncm s LYS 20 Cb -0.13 -0.09 -0.04 0.00 0.00 0.00 0.00 37.83 37.57 2ncm s LYS 20 CO 0.26 -0.32 -0.12 -0.59 0.00 0.00 0.00 175.35 174.58 2ncm s PHE 21 N 2.43 2.70 0.04 1.78 -0.12 -1.26 -1.95 117.98 121.60 2ncm s PHE 21 Ca 0.02 -0.17 0.07 0.00 -0.05 0.00 0.00 56.93 56.79 2ncm s PHE 21 Cb -0.12 -1.45 -0.02 0.00 -0.63 0.00 0.00 43.02 40.79 2ncm s PHE 21 CO -0.09 0.38 -0.19 -0.06 -0.05 0.00 0.00 175.22 175.21 2ncm s PHE 22 N -1.11 1.67 -0.41 3.49 0.40 -0.68 -4.82 117.98 116.51 2ncm s PHE 22 Ca 0.19 -0.36 -0.15 0.00 -0.60 0.00 0.00 56.93 56.01 2ncm s PHE 22 Cb -0.11 -1.00 0.02 0.00 0.51 0.00 0.00 43.02 42.44 2ncm s PHE 22 CO 0.11 0.07 0.30 -1.17 0.70 0.00 0.00 175.22 175.22 2ncm s LEU 23 N -1.12 5.09 -1.05 -0.37 1.98 -0.86 -1.79 118.68 120.56 2ncm s LEU 23 Ca 0.06 -0.90 -0.18 0.00 -2.89 0.00 0.00 54.13 50.22 2ncm s LEU 23 Cb -0.08 -2.15 0.13 0.00 0.66 0.00 0.00 46.19 44.74 2ncm s LEU 23 CO 0.01 -0.45 1.31 0.00 -1.89 0.00 0.00 176.35 175.34 2ncm s GLN 25 N 2.80 3.34 0.41 0.00 -2.07 -0.78 -2.04 119.66 121.32 2ncm s GLN 25 Ca 0.39 -0.27 0.03 0.00 -1.82 0.00 0.00 55.36 53.69 2ncm s GLN 25 Cb -0.03 -2.56 -0.04 0.00 -1.09 0.00 0.00 33.01 29.29 2ncm s GLN 25 CO -0.05 -0.08 0.08 0.14 -1.32 0.00 0.00 175.29 174.05 2ncm s VAL 26 N -2.50 0.95 -0.31 3.63 -7.23 -1.26 -1.87 120.40 111.82 2ncm s VAL 26 Ca 0.45 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.64 2ncm s VAL 26 Cb -0.10 -2.47 0.19 0.00 0.56 0.00 0.00 36.38 34.57 2ncm s VAL 26 CO 0.39 0.00 0.71 0.00 -0.31 0.00 0.00 175.10 175.88 2ncm s ALA 27 N -3.14 -2.82 0.00 1.32 0.00 -0.60 -4.91 121.76 111.60 2ncm s ALA 27 Ca 0.24 1.04 0.00 0.00 0.00 0.00 0.00 51.96 53.25 2ncm s ALA 27 Cb 0.04 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.52 2ncm s ALA 27 CO 0.13 -1.95 0.00 0.41 0.00 0.00 0.00 175.76 174.35 2ncm n GLY 28 N 5.19 1.18 1.29 0.00 0.00 -1.26 -1.64 105.19 109.94 2ncm n GLY 28 Ca 0.07 -0.06 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 2ncm n GLY 28 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ncm n ASP 29 N 0.00 -0.98 -2.39 1.61 2.03 -1.09 -5.01 116.55 110.72 2ncm n ASP 29 Ca 0.00 -1.84 0.00 0.00 0.52 0.00 0.00 54.79 53.47 2ncm n ASP 29 Cb 0.00 0.34 0.00 0.00 -0.72 0.00 0.00 41.12 40.74 2ncm n ASP 29 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ncm n ALA 30 N -0.30 0.00 0.00 -1.67 0.00 -1.09 -5.05 120.51 112.40 2ncm n ALA 30 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2ncm n ALA 30 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.14 2ncm n ALA 30 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2ncm n LYS 31 N -0.82 0.00 0.05 0.00 4.01 -1.26 -4.86 118.16 115.28 2ncm n LYS 31 Ca 0.00 0.00 -0.08 0.00 -0.51 0.00 0.00 58.31 57.72 2ncm n LYS 31 Cb 0.00 -0.58 0.08 0.00 -0.51 0.00 0.00 35.03 34.02 2ncm n LYS 31 CO 0.00 0.00 0.00 0.22 -1.11 0.00 0.00 177.40 176.51 2ncm h ASP 32 N 0.00 0.42 0.00 4.39 3.58 -1.88 -3.47 116.42 119.47 2ncm h ASP 32 Ca 0.00 -0.25 0.00 0.00 0.42 0.00 0.00 57.03 57.20 2ncm h ASP 32 Cb 0.40 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.32 2ncm h ASP 32 CO 0.00 0.94 0.00 0.29 -2.88 0.00 0.00 179.24 177.59 2ncm n LYS 33 N -3.88 0.00 -3.45 0.28 5.02 -0.14 -4.80 118.16 111.18 2ncm n LYS 33 Ca -0.03 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.86 2ncm n LYS 33 Cb 0.64 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.55 2ncm n LYS 33 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2ncm s ASP 34 N 0.00 6.14 0.61 4.39 -1.08 -0.67 -4.75 116.67 121.31 2ncm s ASP 34 Ca 0.00 -0.20 -0.14 0.00 -0.52 0.00 0.00 52.55 51.69 2ncm s ASP 34 Cb 0.00 -2.18 -0.03 0.00 -1.46 0.00 0.00 42.92 39.25 2ncm s ASP 34 CO 0.00 -0.27 1.05 -0.63 0.52 0.00 0.00 175.17 175.84 2ncm s ILE 35 N 1.93 3.99 0.18 4.11 1.09 -1.26 -1.69 121.20 129.55 2ncm s ILE 35 Ca 0.10 0.86 -0.20 0.00 -1.10 0.00 0.00 60.65 60.32 2ncm s ILE 35 Cb -0.17 -3.45 0.04 0.00 -1.06 0.00 0.00 42.46 37.83 2ncm s ILE 35 CO 0.11 -0.64 0.56 -0.44 -0.10 0.00 0.00 174.94 174.43 2ncm s SER 36 N -3.11 -0.37 -0.04 3.58 0.01 0.10 -4.94 113.70 108.93 2ncm s SER 36 Ca 0.61 -0.29 0.01 0.00 1.31 0.00 0.00 55.95 57.59 2ncm s SER 36 Cb -0.15 0.59 0.02 0.00 0.21 0.00 0.00 66.02 66.70 2ncm s SER 36 CO 0.41 -1.03 -0.03 0.26 0.41 0.00 0.00 173.24 173.26 2ncm s TRP 37 N -3.82 0.58 -0.21 2.43 0.52 -1.26 -1.60 118.94 115.58 2ncm s TRP 37 Ca 0.05 -0.13 0.01 0.00 0.02 0.00 0.00 56.10 56.05 2ncm s TRP 37 Cb -0.01 -0.55 0.05 0.00 -1.15 0.00 0.00 33.47 31.80 2ncm s TRP 37 CO -0.07 -0.16 -0.07 -0.06 0.02 0.00 0.00 176.95 176.61 2ncm s PHE 38 N 0.88 2.31 0.77 -1.98 0.40 -0.79 -1.16 117.98 118.41 2ncm s PHE 38 Ca -0.11 -1.60 -0.15 0.00 -0.60 0.00 0.00 56.93 54.48 2ncm s PHE 38 Cb -0.14 -1.57 0.04 0.00 0.51 0.00 0.00 43.02 41.86 2ncm s PHE 38 CO -0.00 -0.74 1.04 -1.13 0.70 0.00 0.00 175.22 175.08 2ncm n SER 39 N 4.70 0.59 0.20 1.36 3.41 0.22 -0.95 113.62 123.15 2ncm n SER 39 Ca -0.13 0.62 0.09 0.00 -0.26 0.00 0.00 58.87 59.18 2ncm n SER 39 Cb 0.46 -1.44 0.46 0.00 -0.26 0.00 0.00 64.21 63.42 2ncm n SER 39 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2ncm h PRO 40 N -0.59 0.00 0.00 4.33 0.11 -1.86 -1.45 132.00 132.53 2ncm h PRO 40 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2ncm h PRO 40 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 2ncm h PRO 40 CO 0.46 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.52 2ncm n ASN 41 N -2.22 0.00 -0.49 -2.05 6.94 -1.26 -4.84 115.26 111.34 2ncm n ASN 41 Ca -0.01 -1.00 0.00 0.00 -0.02 0.00 0.00 54.58 53.55 2ncm n ASN 41 Cb 0.31 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.73 2ncm n ASN 41 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2ncm n GLY 42 N 0.79 0.82 3.45 4.83 0.00 -0.56 -5.09 105.19 109.43 2ncm n GLY 42 Ca 0.20 -0.47 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 2ncm n GLY 42 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ncm s GLU 43 N -3.46 1.27 0.96 1.61 2.02 -1.14 -5.01 118.70 114.96 2ncm s GLU 43 Ca 0.00 -0.84 -0.13 0.00 0.02 0.00 0.00 54.97 54.03 2ncm s GLU 43 Cb 0.00 0.50 0.17 0.00 0.10 0.00 0.00 34.13 34.89 2ncm s GLU 43 CO 0.00 -0.53 1.13 0.21 0.02 0.00 0.00 175.26 176.10 2ncm s LYS 44 N -3.86 0.72 -0.09 1.61 2.20 -1.26 0.71 119.74 119.78 2ncm s LYS 44 Ca 0.08 0.29 -0.00 0.00 -0.36 0.00 0.00 55.97 55.98 2ncm s LYS 44 Cb 0.00 -1.79 0.02 0.00 -1.51 0.00 0.00 37.83 34.55 2ncm s LYS 44 CO -0.05 -2.48 -0.06 -1.17 -0.36 0.00 0.00 175.35 171.22 2ncm s LEU 45 N -6.22 1.12 0.80 5.43 2.96 -0.31 -4.42 118.68 118.05 2ncm s LEU 45 Ca 0.65 -0.24 -0.11 0.00 -0.22 0.00 0.00 54.13 54.21 2ncm s LEU 45 Cb -0.15 -0.72 0.08 0.00 0.50 0.00 0.00 46.19 45.90 2ncm s LEU 45 CO 0.55 -0.11 1.12 -0.44 -1.32 0.00 0.00 176.35 176.15 2ncm s SER 46 N 1.57 4.01 0.13 3.68 0.01 -1.26 -4.78 113.70 117.07 2ncm s SER 46 Ca 0.01 2.02 0.26 0.00 1.31 0.00 0.00 55.95 59.55 2ncm s SER 46 Cb -0.13 -2.55 0.69 0.00 0.21 0.00 0.00 66.02 64.25 2ncm s SER 46 CO -0.05 -2.37 1.62 -0.81 0.41 0.00 0.00 173.24 172.03 2ncm n PRO 47 N -3.57 0.21 -3.11 12.44 -0.04 -1.26 -4.34 135.00 135.33 2ncm n PRO 47 Ca 0.11 0.13 -0.10 0.00 -0.04 0.00 0.00 63.50 63.59 2ncm n PRO 47 Cb 0.52 -1.70 -0.03 0.00 -0.04 0.00 0.00 33.50 32.25 2ncm n PRO 47 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2ncm s ASN 48 N -4.10 -0.38 0.19 3.54 0.01 -1.26 -3.70 114.94 109.25 2ncm s ASN 48 Ca 0.10 -1.70 0.00 0.00 -0.71 0.00 0.00 52.86 50.54 2ncm s ASN 48 Cb 0.14 1.21 0.00 0.00 0.41 0.00 0.00 41.25 43.01 2ncm s ASN 48 CO 0.64 -0.15 0.00 0.00 -1.51 0.00 0.00 177.10 176.08 2ncm n GLN 49 N 3.57 0.00 0.00 -0.60 -0.00 -1.26 -5.16 117.38 113.93 2ncm n GLN 49 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.17 2ncm n GLN 49 Cb 0.52 -0.13 0.00 0.00 -0.00 0.00 0.00 30.24 30.64 2ncm n GLN 49 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2ncm n GLN 50 N -3.30 0.55 -0.07 2.61 1.13 -1.26 -5.01 117.38 112.03 2ncm n GLN 50 Ca 0.00 0.00 0.25 0.00 -1.94 0.00 0.00 57.00 55.31 2ncm n GLN 50 Cb 0.03 0.00 0.68 0.00 0.11 0.00 0.00 30.24 31.05 2ncm n GLN 50 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2ncm h ARG 51 N 0.00 0.00 -6.02 -1.09 3.08 -1.92 -3.38 114.38 105.04 2ncm h ARG 51 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 2ncm h ARG 51 Cb 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 29.99 2ncm h ARG 51 CO 0.00 0.00 0.53 0.42 -1.07 0.00 0.00 179.97 179.85 2ncm s ILE 52 N -4.64 4.81 -0.06 2.04 1.01 -1.26 -2.07 121.20 121.03 2ncm s ILE 52 Ca -0.04 1.80 -0.00 0.00 0.00 0.00 0.00 60.65 62.41 2ncm s ILE 52 Cb 0.17 -4.21 0.02 0.00 0.01 0.00 0.00 42.46 38.45 2ncm s ILE 52 CO 0.58 -0.04 -0.03 -0.55 0.00 0.00 0.00 174.94 174.91 2ncm s SER 53 N 1.18 1.36 0.22 3.58 0.15 -0.55 -4.33 113.70 115.30 2ncm s SER 53 Ca 0.41 -0.12 0.02 0.00 0.70 0.00 0.00 55.95 56.96 2ncm s SER 53 Cb -0.16 -0.48 -0.04 0.00 -1.71 0.00 0.00 66.02 63.63 2ncm s SER 53 CO 0.12 -0.12 0.37 -0.69 1.20 0.00 0.00 173.24 174.11 2ncm s VAL 54 N 1.47 5.24 -0.15 4.45 1.01 -1.24 -1.00 120.40 130.19 2ncm s VAL 54 Ca -0.02 -0.65 -0.16 0.00 0.00 0.00 0.00 61.98 61.15 2ncm s VAL 54 Cb -0.13 -3.79 0.04 0.00 0.00 0.00 0.00 36.38 32.50 2ncm s VAL 54 CO -0.03 -0.24 0.43 0.54 0.00 0.00 0.00 175.10 175.80 2ncm s VAL 55 N -1.92 0.01 -0.18 2.92 0.11 -0.66 -4.84 120.40 115.84 2ncm s VAL 55 Ca 0.36 -0.05 -0.00 0.00 -2.93 0.00 0.00 61.98 59.36 2ncm s VAL 55 Cb -0.10 -0.63 0.01 0.00 -1.53 0.00 0.00 36.38 34.13 2ncm s VAL 55 CO 0.30 -0.03 -0.15 0.26 -3.33 0.00 0.00 175.10 172.15 2ncm s TRP 56 N 0.04 2.81 0.00 1.54 0.51 -1.26 -1.17 118.94 121.41 2ncm s TRP 56 Ca -0.02 -1.29 0.00 0.00 -2.12 0.00 0.00 56.10 52.67 2ncm s TRP 56 Cb -0.03 -1.95 0.00 0.00 -0.81 0.00 0.00 33.47 30.68 2ncm s TRP 56 CO 0.01 -0.64 0.00 0.27 -0.51 0.00 0.00 176.95 176.08 2ncm n ASN 57 N 4.46 0.00 -3.15 2.95 0.23 -0.90 -5.02 115.26 113.82 2ncm n ASN 57 Ca -0.20 0.00 -0.16 0.00 -0.53 0.00 0.00 54.58 53.69 2ncm n ASN 57 Cb 0.51 -0.02 0.15 0.00 -2.08 0.00 0.00 39.78 38.34 2ncm n ASN 57 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 2ncm n ASP 58 N -1.53 -3.07 -0.26 0.53 2.03 -1.22 -4.86 116.55 108.16 2ncm n ASP 58 Ca 0.00 -0.46 0.07 0.00 0.52 0.00 0.00 54.79 54.93 2ncm n ASP 58 Cb 0.00 -0.55 0.31 0.00 -0.72 0.00 0.00 41.12 40.17 2ncm n ASP 58 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2ncm h ASP 59 N -2.82 0.76 0.00 1.67 1.82 -2.02 -3.32 116.42 112.50 2ncm h ASP 59 Ca -0.21 0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.44 2ncm h ASP 59 Cb 0.69 -0.14 -0.02 0.00 0.68 0.00 0.00 39.33 40.54 2ncm h ASP 59 CO 0.12 0.46 -0.31 0.47 -1.61 0.00 0.00 179.24 178.37 2ncm n ASP 60 N -4.51 0.01 -4.74 2.28 8.00 -1.26 -5.07 116.55 111.25 2ncm n ASP 60 Ca 0.14 -1.59 -0.34 0.00 0.71 0.00 0.00 54.79 53.71 2ncm n ASP 60 Cb 0.29 -0.10 -0.08 0.00 -0.02 0.00 0.00 41.12 41.21 2ncm n ASP 60 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2ncm s SER 61 N -0.64 5.52 0.23 -2.24 0.15 -1.25 -4.51 113.70 110.97 2ncm s SER 61 Ca 0.02 0.18 0.05 0.00 0.70 0.00 0.00 55.95 56.89 2ncm s SER 61 Cb 0.02 -1.59 -0.02 0.00 -1.71 0.00 0.00 66.02 62.72 2ncm s SER 61 CO -0.01 0.34 0.17 -1.20 1.20 0.00 0.00 173.24 173.75 2ncm n SER 62 N 1.76 -0.20 -3.66 5.45 7.64 -0.87 -2.12 113.62 121.64 2ncm n SER 62 Ca -0.17 -2.47 -0.12 0.00 1.01 0.00 0.00 58.87 57.12 2ncm n SER 62 Cb 0.53 1.05 -0.08 0.00 -1.01 0.00 0.00 64.21 64.71 2ncm n SER 62 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2ncm s THR 63 N -2.85 -0.00 -0.02 0.44 2.01 -0.32 -1.70 115.64 113.19 2ncm s THR 63 Ca 0.25 0.01 -0.10 0.00 0.31 0.00 0.00 61.69 62.15 2ncm s THR 63 Cb 0.01 -0.89 -0.05 0.00 0.01 0.00 0.00 72.50 71.58 2ncm s THR 63 CO 0.17 0.00 0.31 -0.22 -0.69 0.00 0.00 174.62 174.19 2ncm s LEU 64 N 0.75 4.41 -0.33 4.42 2.96 -0.74 -1.65 118.68 128.50 2ncm s LEU 64 Ca -0.03 0.73 -0.01 0.00 -0.22 0.00 0.00 54.13 54.59 2ncm s LEU 64 Cb -0.05 -2.52 0.11 0.00 0.50 0.00 0.00 46.19 44.23 2ncm s LEU 64 CO -0.05 0.31 0.15 -0.89 -1.32 0.00 0.00 176.35 174.55 2ncm s THR 65 N -1.16 0.42 -0.88 3.68 2.01 -0.17 -1.69 115.64 117.85 2ncm s THR 65 Ca 0.23 -1.38 -0.18 0.00 0.31 0.00 0.00 61.69 60.68 2ncm s THR 65 Cb -0.14 -1.33 0.15 0.00 0.01 0.00 0.00 72.50 71.19 2ncm s THR 65 CO 0.12 -0.80 1.01 -0.63 -0.69 0.00 0.00 174.62 173.63 2ncm s ILE 66 N 1.52 4.96 0.00 1.82 1.01 -0.82 -1.48 121.20 128.20 2ncm s ILE 66 Ca 0.12 -1.75 0.00 0.00 0.00 0.00 0.00 60.65 59.02 2ncm s ILE 66 Cb -0.19 -4.68 0.00 0.00 0.01 0.00 0.00 42.46 37.60 2ncm s ILE 66 CO -0.20 -1.36 0.00 -1.22 0.00 0.00 0.00 174.94 172.15 2ncm n TYR 67 N 5.89 0.00 -1.98 3.97 4.01 -0.88 -1.80 117.16 126.38 2ncm n TYR 67 Ca 0.19 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.58 2ncm n TYR 67 Cb 0.48 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.48 2ncm n TYR 67 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2ncm s ASN 68 N -2.12 5.11 0.60 7.72 3.04 -1.26 -2.91 114.94 125.12 2ncm s ASN 68 Ca 0.00 0.20 -0.13 0.00 0.04 0.00 0.00 52.86 52.96 2ncm s ASN 68 Cb 0.00 -2.53 -0.04 0.00 -1.54 0.00 0.00 41.25 37.14 2ncm s ASN 68 CO 0.00 -2.56 1.03 0.00 -3.04 0.00 0.00 177.10 172.53 2ncm s ALA 69 N 9.81 2.93 0.09 1.71 0.00 -1.04 -4.82 121.76 130.43 2ncm s ALA 69 Ca 0.72 0.11 -0.15 0.00 0.00 0.00 0.00 51.96 52.64 2ncm s ALA 69 Cb -0.12 -3.14 0.03 0.00 0.00 0.00 0.00 23.12 19.89 2ncm s ALA 69 CO 0.16 -0.71 0.36 -0.80 0.00 0.00 0.00 175.76 174.77 2ncm s ASN 70 N -3.53 -0.18 0.60 0.00 0.01 -1.26 -2.53 114.94 108.05 2ncm s ASN 70 Ca 0.58 -0.27 0.29 0.00 -0.71 0.00 0.00 52.86 52.74 2ncm s ASN 70 Cb -0.12 0.43 1.48 0.00 0.41 0.00 0.00 41.25 43.45 2ncm s ASN 70 CO 0.45 -0.76 1.89 0.16 -1.51 0.00 0.00 177.10 177.32 2ncm h ILE 71 N 2.67 0.30 -0.16 0.60 -2.65 -1.95 0.55 117.51 116.86 2ncm h ILE 71 Ca -0.33 0.00 -0.15 0.00 1.03 0.00 0.00 64.86 65.41 2ncm h ILE 71 Cb 1.23 0.62 0.00 0.00 -2.05 0.00 0.00 36.82 36.62 2ncm h ILE 71 CO 0.47 0.00 -0.50 0.44 0.03 0.00 0.00 178.15 178.59 2ncm h ASP 72 N 0.00 0.71 -0.17 2.16 3.32 -1.96 -3.17 116.42 117.31 2ncm h ASP 72 Ca 0.18 -0.60 -0.05 0.00 0.02 0.00 0.00 57.03 56.58 2ncm h ASP 72 Cb 1.10 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.43 2ncm h ASP 72 CO -0.00 1.18 -0.02 0.44 -1.72 0.00 0.00 179.24 179.12 2ncm h ASP 73 N 0.27 0.41 -1.01 6.45 3.32 -1.30 -3.43 116.42 121.13 2ncm h ASP 73 Ca -0.02 -0.07 -0.58 0.00 0.02 0.00 0.00 57.03 56.37 2ncm h ASP 73 Cb 1.12 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.54 2ncm h ASP 73 CO 0.11 0.49 1.54 0.00 -1.72 0.00 0.00 179.24 179.66 2ncm n ALA 74 N -2.48 0.86 -3.97 3.45 0.00 -0.99 -4.83 120.51 112.56 2ncm n ALA 74 Ca 0.01 -0.32 0.03 0.00 0.00 0.00 0.00 53.44 53.15 2ncm n ALA 74 Cb 0.24 -2.66 0.01 0.00 0.00 0.00 0.00 19.45 17.04 2ncm n ALA 74 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2ncm s GLY 75 N 8.88 -0.16 -0.93 0.00 0.00 0.41 -4.89 107.32 110.64 2ncm s GLY 75 Ca 1.12 0.10 -0.24 0.00 0.00 0.00 0.00 44.72 45.70 2ncm s GLY 75 CO 0.43 5.38 1.37 -0.42 0.00 0.00 0.00 173.10 179.86 2ncm s ILE 76 N -2.04 3.94 0.84 0.90 -1.09 -1.26 -1.92 121.20 120.57 2ncm s ILE 76 Ca 0.29 -0.51 -0.11 0.00 -2.23 0.00 0.00 60.65 58.09 2ncm s ILE 76 Cb -0.00 -4.99 0.10 0.00 -1.58 0.00 0.00 42.46 35.99 2ncm s ILE 76 CO -0.01 -1.87 1.10 -0.31 -1.23 0.00 0.00 174.94 172.62 2ncm s TYR 77 N 4.97 2.33 0.15 3.97 1.51 -0.67 -3.84 117.35 125.77 2ncm s TYR 77 Ca 0.41 1.49 0.07 0.00 -1.01 0.00 0.00 57.07 58.03 2ncm s TYR 77 Cb -0.03 -3.12 -0.04 0.00 -0.11 0.00 0.00 41.96 38.66 2ncm s TYR 77 CO -0.03 -2.17 -0.15 0.21 -1.11 0.00 0.00 175.55 172.30 2ncm s LYS 78 N -4.86 1.14 -0.26 -0.62 2.20 -0.12 -1.79 119.74 115.42 2ncm s LYS 78 Ca 0.63 -1.35 -0.03 0.00 -0.36 0.00 0.00 55.97 54.86 2ncm s LYS 78 Cb -0.18 -1.05 0.10 0.00 -1.51 0.00 0.00 37.83 35.19 2ncm s LYS 78 CO 0.57 0.20 0.17 0.00 -0.36 0.00 0.00 175.35 175.92 2ncm s VAL 80 N 2.19 4.34 -0.01 0.00 1.01 -0.63 -0.42 120.40 126.89 2ncm s VAL 80 Ca 0.07 -0.36 0.07 0.00 0.00 0.00 0.00 61.98 61.77 2ncm s VAL 80 Cb -0.16 -2.88 -0.02 0.00 0.00 0.00 0.00 36.38 33.33 2ncm s VAL 80 CO -0.28 0.51 -0.22 -0.69 0.00 0.00 0.00 175.10 174.42 2ncm s VAL 81 N -0.98 1.75 -0.03 2.92 1.01 -0.72 0.00 120.40 124.35 2ncm s VAL 81 Ca 0.16 -0.97 0.07 0.00 0.00 0.00 0.00 61.98 61.24 2ncm s VAL 81 Cb -0.11 -1.46 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 2ncm s VAL 81 CO 0.06 0.47 -0.25 -0.89 0.00 0.00 0.00 175.10 174.49 2ncm s THR 82 N -0.55 2.00 0.35 3.92 2.01 -0.68 -1.63 115.64 121.06 2ncm s THR 82 Ca 0.09 -1.06 -0.02 0.00 0.31 0.00 0.00 61.69 61.00 2ncm s THR 82 Cb -0.09 -1.67 0.07 0.00 0.01 0.00 0.00 72.50 70.82 2ncm s THR 82 CO -0.01 0.56 0.48 0.00 -0.69 0.00 0.00 174.62 174.96 2ncm n ALA 83 N 2.66 -0.11 0.11 7.40 0.00 -0.45 -0.97 120.51 129.15 2ncm n ALA 83 Ca -0.17 -0.84 -0.08 0.00 0.00 0.00 0.00 53.44 52.36 2ncm n ALA 83 Cb 0.52 0.10 -0.05 0.00 0.00 0.00 0.00 19.45 20.02 2ncm n ALA 83 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2ncm h GLU 84 N 0.00 -0.36 0.00 0.00 4.81 -1.90 -3.30 114.58 113.83 2ncm h GLU 84 Ca -0.16 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 2ncm h GLU 84 Cb 0.53 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.99 2ncm h GLU 84 CO 0.15 -0.12 -0.05 0.38 -0.73 0.00 0.00 179.01 178.63 2ncm h ASP 85 N -1.04 0.00 0.00 1.04 3.04 -2.03 -3.45 116.42 113.97 2ncm h ASP 85 Ca -0.04 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.75 2ncm h ASP 85 Cb 0.40 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.69 2ncm h ASP 85 CO 0.06 0.05 0.00 0.61 -2.04 0.00 0.00 179.24 177.92 2ncm n GLY 86 N -0.77 1.90 3.56 7.15 0.00 -1.24 -5.10 105.19 110.69 2ncm n GLY 86 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 2ncm n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ncm s THR 87 N -1.91 4.41 -0.18 2.61 2.01 -1.26 -4.80 115.64 116.52 2ncm s THR 87 Ca 0.00 0.70 -0.08 0.00 0.31 0.00 0.00 61.69 62.62 2ncm s THR 87 Cb 0.00 -4.48 -0.04 0.00 0.01 0.00 0.00 72.50 67.98 2ncm s THR 87 CO 0.00 -0.93 0.09 -1.10 -0.69 0.00 0.00 174.62 172.00 2ncm s GLN 88 N 3.91 4.02 -0.22 4.92 -0.21 -1.26 -1.35 119.66 129.47 2ncm s GLN 88 Ca 0.37 -0.28 0.02 0.00 0.02 0.00 0.00 55.36 55.49 2ncm s GLN 88 Cb -0.10 -3.29 0.04 0.00 1.00 0.00 0.00 33.01 30.66 2ncm s GLN 88 CO 0.25 0.33 -0.12 0.45 -2.12 0.00 0.00 175.29 174.08 2ncm s SER 89 N 0.25 3.70 0.45 5.90 0.15 -0.64 -4.98 113.70 118.52 2ncm s SER 89 Ca 0.06 -1.02 0.04 0.00 0.70 0.00 0.00 55.95 55.74 2ncm s SER 89 Cb -0.12 -1.38 0.04 0.00 -1.71 0.00 0.00 66.02 62.86 2ncm s SER 89 CO -0.01 -0.14 0.37 -1.84 1.20 0.00 0.00 173.24 172.83 2ncm n GLU 90 N 4.59 0.82 -4.03 5.44 0.28 -1.26 -1.75 120.64 124.73 2ncm n GLU 90 Ca -0.16 -2.75 -0.10 0.00 -0.16 0.00 0.00 57.16 54.00 2ncm n GLU 90 Cb 0.46 0.24 -0.06 0.00 1.43 0.00 0.00 31.44 33.51 2ncm n GLU 90 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2ncm s ALA 91 N -2.63 -0.02 0.04 -1.84 0.00 0.44 -4.72 121.76 113.04 2ncm s ALA 91 Ca 0.28 -1.01 -0.13 0.00 0.00 0.00 0.00 51.96 51.09 2ncm s ALA 91 Cb -0.02 1.11 0.02 0.00 0.00 0.00 0.00 23.12 24.23 2ncm s ALA 91 CO 0.18 -0.82 0.29 0.95 0.00 0.00 0.00 175.76 176.36 2ncm s THR 92 N -3.98 0.09 -0.08 0.00 -4.23 -1.26 -1.97 115.64 104.20 2ncm s THR 92 Ca 0.25 -0.71 -0.03 0.00 -1.18 0.00 0.00 61.69 60.02 2ncm s THR 92 Cb 0.00 -0.93 0.05 0.00 1.34 0.00 0.00 72.50 72.96 2ncm s THR 92 CO 0.10 -0.39 0.15 0.54 -0.54 0.00 0.00 174.62 174.48 2ncm s VAL 93 N -2.53 -0.23 -0.82 2.29 0.11 -0.74 -4.61 120.40 113.86 2ncm s VAL 93 Ca -0.05 0.34 -0.25 0.00 -2.93 0.00 0.00 61.98 59.09 2ncm s VAL 93 Cb -0.01 -0.28 0.02 0.00 -1.53 0.00 0.00 36.38 34.58 2ncm s VAL 93 CO -0.03 0.14 1.52 0.21 -3.33 0.00 0.00 175.10 173.61 2ncm s ASN 94 N 2.17 5.97 -0.45 3.54 3.04 -0.65 -1.67 114.94 126.90 2ncm s ASN 94 Ca 0.02 -0.65 -0.17 0.00 0.04 0.00 0.00 52.86 52.10 2ncm s ASN 94 Cb -0.12 -2.56 0.04 0.00 -1.54 0.00 0.00 41.25 37.07 2ncm s ASN 94 CO -0.06 -1.96 0.46 -0.69 -3.04 0.00 0.00 177.10 171.82 2ncm s VAL 95 N 6.67 5.08 0.24 -5.21 1.01 -0.81 -1.42 120.40 125.96 2ncm s VAL 95 Ca 0.49 -0.54 -0.10 0.00 0.00 0.00 0.00 61.98 61.82 2ncm s VAL 95 Cb -0.06 -4.10 -0.07 0.00 0.00 0.00 0.00 36.38 32.14 2ncm s VAL 95 CO 0.06 -0.53 0.56 -0.54 0.00 0.00 0.00 175.10 174.66 2ncm s LYS 96 N 2.11 3.82 -0.17 2.72 1.02 -0.65 -0.44 119.74 128.15 2ncm s LYS 96 Ca 0.11 0.31 -0.04 0.00 0.02 0.00 0.00 55.97 56.36 2ncm s LYS 96 Cb -0.19 -2.63 0.08 0.00 -0.52 0.00 0.00 37.83 34.57 2ncm s LYS 96 CO 0.12 0.31 0.26 0.42 -0.92 0.00 0.00 175.35 175.53 2ncm s ILE 97 N -1.83 -0.40 -0.08 2.17 1.01 -1.25 -1.76 121.20 119.07 2ncm s ILE 97 Ca 0.48 0.11 0.04 0.00 0.00 0.00 0.00 60.65 61.27 2ncm s ILE 97 Cb -0.11 -0.56 -0.01 0.00 0.01 0.00 0.00 42.46 41.79 2ncm s ILE 97 CO 0.21 -0.02 -0.19 0.72 0.00 0.00 0.00 174.94 175.65 2ncm s PHE 98 N 2.39 2.61 -2.45 3.97 -0.71 -0.84 -4.44 117.98 118.51 2ncm s PHE 98 Ca 0.05 -0.62 0.28 0.00 -1.04 0.00 0.00 56.93 55.60 2ncm s PHE 98 Cb -0.14 -1.68 1.13 0.00 -1.21 0.00 0.00 43.02 41.12 2ncm s PHE 98 CO -0.10 -0.16 1.79 0.94 -1.34 0.00 0.00 175.22 176.35