#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ncm s VAL 2 N 0.00 3.80 -0.31 5.15 -7.23 -1.26 -4.83 120.40 115.72 2ncm s VAL 2 Ca 0.00 -0.26 -0.09 0.00 -1.81 0.00 0.00 61.98 59.82 2ncm s VAL 2 Cb 0.00 -4.91 0.19 0.00 0.56 0.00 0.00 36.38 32.21 2ncm s VAL 2 CO 0.00 -1.82 1.00 -0.22 -0.31 0.00 0.00 175.10 173.75 2ncm s LEU 3 N 5.68 -0.51 0.11 1.32 2.96 -1.25 -3.75 118.68 123.23 2ncm s LEU 3 Ca 0.44 -0.03 0.03 0.00 -0.22 0.00 0.00 54.13 54.36 2ncm s LEU 3 Cb -0.04 1.13 -0.04 0.00 0.50 0.00 0.00 46.19 47.74 2ncm s LEU 3 CO 0.01 -0.08 -0.09 -1.58 -1.32 0.00 0.00 176.35 173.29 2ncm s GLN 4 N 2.67 0.90 0.05 1.98 0.74 0.29 -4.73 119.66 121.56 2ncm s GLN 4 Ca 0.23 -1.28 -0.16 0.00 0.05 0.00 0.00 55.36 54.20 2ncm s GLN 4 Cb -0.01 -0.47 0.03 0.00 1.10 0.00 0.00 33.01 33.65 2ncm s GLN 4 CO -0.21 0.05 0.37 0.08 -0.55 0.00 0.00 175.29 175.03 2ncm s VAL 5 N -2.97 0.07 -0.28 1.34 1.01 -1.26 -1.19 120.40 117.12 2ncm s VAL 5 Ca 0.10 -0.56 -0.16 0.00 0.00 0.00 0.00 61.98 61.35 2ncm s VAL 5 Cb 0.01 -0.97 0.08 0.00 0.00 0.00 0.00 36.38 35.50 2ncm s VAL 5 CO -0.01 -0.31 0.69 -1.81 0.00 0.00 0.00 175.10 173.66 2ncm s ASP 6 N -2.10 -0.94 -0.01 3.32 1.01 -0.83 -4.78 116.67 112.34 2ncm s ASP 6 Ca -0.04 1.51 -0.09 0.00 0.71 0.00 0.00 52.55 54.64 2ncm s ASP 6 Cb -0.01 1.39 -0.05 0.00 1.01 0.00 0.00 42.92 45.27 2ncm s ASP 6 CO -0.04 -0.24 0.30 -0.63 0.21 0.00 0.00 175.17 174.78 2ncm s ILE 7 N 1.60 5.23 -0.08 0.77 1.01 -1.26 -1.85 121.20 126.61 2ncm s ILE 7 Ca -0.10 0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.99 2ncm s ILE 7 Cb -0.05 -3.59 0.01 0.00 0.01 0.00 0.00 42.46 38.85 2ncm s ILE 7 CO -0.19 0.46 -0.14 -0.69 0.00 0.00 0.00 174.94 174.37 2ncm s VAL 8 N -1.20 1.33 0.60 2.92 1.01 -0.56 -4.26 120.40 120.24 2ncm s VAL 8 Ca 0.25 -0.58 -0.09 0.00 0.00 0.00 0.00 61.98 61.56 2ncm s VAL 8 Cb -0.14 -1.20 0.14 0.00 0.00 0.00 0.00 36.38 35.17 2ncm s VAL 8 CO 0.13 0.40 0.82 -0.81 0.00 0.00 0.00 175.10 175.64 2ncm n PRO 9 N 3.90 -0.71 0.04 2.72 -0.04 -1.26 -1.74 135.00 137.90 2ncm n PRO 9 Ca -0.21 -1.34 -0.20 0.00 -0.04 0.00 0.00 63.50 61.70 2ncm n PRO 9 Cb 0.52 -0.82 -0.11 0.00 -0.04 0.00 0.00 33.50 33.05 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 -1.02 0.85 -3.26 3.54 4.64 -1.93 -3.44 113.55 112.93 2ncm h SER 10 Ca -0.26 -0.76 -0.57 0.00 -0.47 0.00 0.00 61.79 59.73 2ncm h SER 10 Cb 0.75 -0.26 -0.35 0.00 -0.31 0.00 0.00 62.40 62.23 2ncm h SER 10 CO 0.20 1.50 -0.83 0.00 -0.87 0.00 0.00 176.83 176.83 2ncm s GLN 11 N -3.24 2.09 -0.96 4.77 -2.07 -1.26 -1.32 119.66 117.67 2ncm s GLN 11 Ca -0.10 -0.51 -0.02 0.00 -1.82 0.00 0.00 55.36 52.91 2ncm s GLN 11 Cb 0.06 -1.82 0.28 0.00 -1.09 0.00 0.00 33.01 30.44 2ncm s GLN 11 CO 0.91 -0.10 1.18 0.41 -1.32 0.00 0.00 175.29 176.37 2ncm n GLY 12 N 4.31 4.85 3.62 2.60 0.00 -0.77 -4.96 105.19 114.83 2ncm n GLY 12 Ca -0.18 -2.68 -0.43 0.00 0.00 0.00 0.00 46.02 42.73 2ncm n GLY 12 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ncm s GLU 13 N -2.37 3.79 0.17 1.61 2.02 -1.26 -1.63 118.70 121.03 2ncm s GLU 13 Ca 0.33 0.99 0.01 0.00 0.02 0.00 0.00 54.97 56.32 2ncm s GLU 13 Cb 0.04 -3.91 -0.05 0.00 0.10 0.00 0.00 34.13 30.31 2ncm s GLU 13 CO 0.03 -1.29 0.02 0.42 0.02 0.00 0.00 175.26 174.46 2ncm s ILE 14 N 4.63 0.57 0.17 -1.63 1.09 -0.84 -4.97 121.20 120.22 2ncm s ILE 14 Ca 0.55 -1.97 0.01 0.00 -1.10 0.00 0.00 60.65 58.14 2ncm s ILE 14 Cb -0.13 -2.13 -0.04 0.00 -1.06 0.00 0.00 42.46 39.10 2ncm s ILE 14 CO 0.27 -0.45 0.33 -0.94 -0.10 0.00 0.00 174.94 174.05 2ncm s SER 15 N -3.16 6.36 0.40 3.58 1.04 -1.26 -1.94 113.70 118.72 2ncm s SER 15 Ca 0.25 0.26 -0.27 0.00 0.48 0.00 0.00 55.95 56.67 2ncm s SER 15 Cb 0.06 -1.95 -0.09 0.00 0.10 0.00 0.00 66.02 64.14 2ncm s SER 15 CO 0.04 0.01 1.39 -0.69 0.98 0.00 0.00 173.24 174.97 2ncm s VAL 16 N -1.80 2.32 0.00 5.02 1.01 -0.86 -2.04 120.40 124.05 2ncm s VAL 16 Ca 0.36 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.65 2ncm s VAL 16 Cb -0.11 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.08 2ncm s VAL 16 CO 0.29 0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.06 2ncm n GLY 17 N 0.61 1.69 3.89 4.51 0.00 -0.35 -5.03 105.19 110.51 2ncm n GLY 17 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.49 3.25 0.34 1.61 2.02 -0.86 -4.78 118.70 119.78 2ncm s GLU 18 Ca 0.00 -0.64 -0.04 0.00 0.02 0.00 0.00 54.97 54.31 2ncm s GLU 18 Cb 0.00 -2.88 -0.05 0.00 0.10 0.00 0.00 34.13 31.30 2ncm s GLU 18 CO 0.00 0.54 0.60 -1.54 0.02 0.00 0.00 175.26 174.88 2ncm s SER 19 N -2.95 6.39 -0.20 -0.19 1.04 -0.62 -3.89 113.70 113.28 2ncm s SER 19 Ca 0.33 0.73 -0.06 0.00 0.48 0.00 0.00 55.95 57.43 2ncm s SER 19 Cb -0.11 -2.15 0.10 0.00 0.10 0.00 0.00 66.02 63.96 2ncm s SER 19 CO 0.26 -0.29 0.40 -1.59 0.98 0.00 0.00 173.24 173.00 2ncm s LYS 20 N -3.91 0.32 0.01 4.02 -2.85 -0.70 -4.96 119.74 111.67 2ncm s LYS 20 Ca 0.44 0.89 0.04 0.00 -1.00 0.00 0.00 55.97 56.34 2ncm s LYS 20 Cb -0.10 0.10 -0.03 0.00 -2.06 0.00 0.00 37.83 35.74 2ncm s LYS 20 CO 0.33 -0.36 -0.10 -0.59 0.10 0.00 0.00 175.35 174.73 2ncm s PHE 21 N 2.58 2.78 -0.18 1.78 -0.12 -1.26 -1.30 117.98 122.27 2ncm s PHE 21 Ca 0.02 -0.11 0.01 0.00 -0.05 0.00 0.00 56.93 56.80 2ncm s PHE 21 Cb -0.13 -1.57 0.03 0.00 -0.63 0.00 0.00 43.02 40.72 2ncm s PHE 21 CO -0.13 0.32 -0.14 -0.06 -0.05 0.00 0.00 175.22 175.16 2ncm s PHE 22 N -0.95 2.46 -0.38 3.49 0.40 -0.77 -4.77 117.98 117.45 2ncm s PHE 22 Ca 0.16 -1.50 -0.29 0.00 -0.60 0.00 0.00 56.93 54.70 2ncm s PHE 22 Cb -0.11 -1.71 0.02 0.00 0.51 0.00 0.00 43.02 41.73 2ncm s PHE 22 CO 0.06 -0.74 1.14 -1.17 0.70 0.00 0.00 175.22 175.21 2ncm s LEU 23 N 1.39 3.81 -0.64 -0.37 2.96 -0.71 -1.74 118.68 123.37 2ncm s LEU 23 Ca 0.03 0.86 -0.17 0.00 -0.22 0.00 0.00 54.13 54.62 2ncm s LEU 23 Cb -0.14 -3.55 0.13 0.00 0.50 0.00 0.00 46.19 43.14 2ncm s LEU 23 CO -0.10 -1.06 0.69 0.00 -1.32 0.00 0.00 176.35 174.56 2ncm s GLN 25 N 1.98 3.22 0.47 0.00 1.11 -0.77 -2.15 119.66 123.51 2ncm s GLN 25 Ca 0.12 -0.35 0.04 0.00 0.01 0.00 0.00 55.36 55.18 2ncm s GLN 25 Cb -0.22 -2.55 -0.04 0.00 -1.01 0.00 0.00 33.01 29.19 2ncm s GLN 25 CO 0.02 -0.18 0.03 0.14 0.01 0.00 0.00 175.29 175.31 2ncm s VAL 26 N -2.54 1.55 -0.30 1.09 -7.23 -1.26 -1.97 120.40 109.73 2ncm s VAL 26 Ca 0.46 -1.97 0.02 0.00 -1.81 0.00 0.00 61.98 58.68 2ncm s VAL 26 Cb -0.10 -2.51 0.19 0.00 0.56 0.00 0.00 36.38 34.52 2ncm s VAL 26 CO 0.39 0.00 0.71 0.00 -0.31 0.00 0.00 175.10 175.89 2ncm s ALA 27 N -2.80 -2.85 0.00 1.32 0.00 -0.33 -4.87 121.76 112.23 2ncm s ALA 27 Ca 0.19 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.21 2ncm s ALA 27 Cb 0.05 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.52 2ncm s ALA 27 CO 0.10 -1.95 0.00 0.41 0.00 0.00 0.00 175.76 174.32 2ncm n GLY 28 N 5.20 3.79 2.45 0.00 0.00 -1.26 -0.54 105.19 114.82 2ncm n GLY 28 Ca 0.07 -0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 2ncm n GLY 28 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ncm n ASP 29 N 0.00 7.17 -2.98 1.61 9.92 -1.26 -4.84 116.55 126.18 2ncm n ASP 29 Ca 0.00 -3.55 -0.14 0.00 -0.53 0.00 0.00 54.79 50.57 2ncm n ASP 29 Cb 0.00 -1.07 0.11 0.00 -0.64 0.00 0.00 41.12 39.52 2ncm n ASP 29 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2ncm n ALA 30 N -0.20 -1.40 -0.00 2.24 0.00 -1.25 -4.99 120.51 114.92 2ncm n ALA 30 Ca 0.51 -0.78 -0.01 0.00 0.00 0.00 0.00 53.44 53.16 2ncm n ALA 30 Cb 0.50 -0.05 -0.00 0.00 0.00 0.00 0.00 19.45 19.89 2ncm n ALA 30 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2ncm h LYS 31 N 0.00 -0.06 -4.98 0.00 6.56 -1.94 -3.47 116.57 112.69 2ncm h LYS 31 Ca -0.20 0.00 -0.48 0.00 -1.06 0.00 0.00 60.65 58.92 2ncm h LYS 31 Cb 0.59 0.01 -0.30 0.00 -0.57 0.00 0.00 32.23 31.96 2ncm h LYS 31 CO 0.13 -0.04 -0.81 -0.51 -2.06 0.00 0.00 179.45 176.16 2ncm s ASP 32 N -4.44 1.59 -0.49 0.86 1.11 -1.26 -5.04 116.67 108.99 2ncm s ASP 32 Ca -0.01 -0.25 0.03 0.00 0.18 0.00 0.00 52.55 52.50 2ncm s ASP 32 Cb 0.00 -0.36 0.14 0.00 1.07 0.00 0.00 42.92 43.78 2ncm s ASP 32 CO 0.03 0.12 0.29 -0.54 1.18 0.00 0.00 175.17 176.24 2ncm s LYS 33 N -0.00 1.53 -0.46 8.23 1.02 -1.24 -3.92 119.74 124.90 2ncm s LYS 33 Ca -0.01 -2.30 -0.29 0.00 0.02 0.00 0.00 55.97 53.39 2ncm s LYS 33 Cb -0.08 -2.57 0.03 0.00 -0.52 0.00 0.00 37.83 34.68 2ncm s LYS 33 CO 0.01 -1.19 1.14 0.34 -0.92 0.00 0.00 175.35 174.72 2ncm s ASP 34 N -0.03 6.66 0.66 2.83 2.15 -0.82 -4.76 116.67 123.36 2ncm s ASP 34 Ca 0.20 0.54 -0.13 0.00 0.43 0.00 0.00 52.55 53.58 2ncm s ASP 34 Cb -0.19 -2.55 -0.01 0.00 -0.30 0.00 0.00 42.92 39.87 2ncm s ASP 34 CO -0.04 -1.22 1.06 -0.63 -0.17 0.00 0.00 175.17 174.18 2ncm s ILE 35 N 4.38 3.82 0.17 4.11 1.09 -1.26 -1.58 121.20 131.93 2ncm s ILE 35 Ca 0.48 0.72 -0.18 0.00 -1.10 0.00 0.00 60.65 60.57 2ncm s ILE 35 Cb -0.08 -3.33 0.04 0.00 -1.06 0.00 0.00 42.46 38.03 2ncm s ILE 35 CO 0.30 -0.65 0.49 -0.44 -0.10 0.00 0.00 174.94 174.55 2ncm s SER 36 N -3.25 -0.30 -0.03 3.58 0.01 0.17 -4.92 113.70 108.97 2ncm s SER 36 Ca 0.61 -0.36 -0.01 0.00 1.31 0.00 0.00 55.95 57.51 2ncm s SER 36 Cb -0.16 0.55 0.03 0.00 0.21 0.00 0.00 66.02 66.65 2ncm s SER 36 CO 0.46 -0.98 0.04 0.26 0.41 0.00 0.00 173.24 173.44 2ncm s TRP 37 N -3.83 0.05 -0.24 2.43 0.52 -1.26 -1.67 118.94 114.94 2ncm s TRP 37 Ca 0.06 0.17 0.02 0.00 0.02 0.00 0.00 56.10 56.37 2ncm s TRP 37 Cb -0.00 -0.32 0.05 0.00 -1.15 0.00 0.00 33.47 32.05 2ncm s TRP 37 CO -0.07 -0.12 -0.10 -0.06 0.02 0.00 0.00 176.95 176.61 2ncm s PHE 38 N 1.44 2.89 0.87 -1.98 0.08 -0.81 -1.77 117.98 118.70 2ncm s PHE 38 Ca -0.04 -2.02 -0.11 0.00 0.12 0.00 0.00 56.93 54.88 2ncm s PHE 38 Cb -0.13 -1.80 0.12 0.00 -0.57 0.00 0.00 43.02 40.64 2ncm s PHE 38 CO -0.03 -0.83 1.11 -1.12 -0.10 0.00 0.00 175.22 174.25 2ncm s SER 39 N 1.23 3.52 0.39 1.36 0.01 0.11 -1.09 113.70 119.23 2ncm s SER 39 Ca -0.06 1.89 0.16 0.00 1.31 0.00 0.00 55.95 59.25 2ncm s SER 39 Cb -0.18 -2.47 0.87 0.00 0.21 0.00 0.00 66.02 64.45 2ncm s SER 39 CO -0.07 -2.67 1.41 -0.65 0.41 0.00 0.00 173.24 171.68 2ncm h PRO 40 N -1.57 0.00 0.00 12.44 0.11 -1.87 -1.25 132.00 139.86 2ncm h PRO 40 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2ncm h PRO 40 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2ncm h PRO 40 CO 0.48 0.00 0.00 -1.71 -0.21 0.00 0.00 178.00 176.56 2ncm n ASN 41 N -2.21 0.00 -0.99 -2.05 5.15 -1.26 -4.86 115.26 109.04 2ncm n ASN 41 Ca -0.01 -1.25 -0.02 0.00 -0.60 0.00 0.00 54.58 52.70 2ncm n ASN 41 Cb 0.33 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.59 2ncm n ASN 41 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2ncm n GLY 42 N 0.68 0.64 3.39 8.20 0.00 -0.48 -5.06 105.19 112.55 2ncm n GLY 42 Ca 0.14 -0.52 -0.12 0.00 0.00 0.00 0.00 46.02 45.52 2ncm n GLY 42 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ncm s GLU 43 N -4.78 1.22 -0.13 1.61 -1.05 -1.14 -5.02 118.70 109.40 2ncm s GLU 43 Ca 0.04 -0.51 -0.25 0.00 -0.15 0.00 0.00 54.97 54.10 2ncm s GLU 43 Cb -0.02 0.55 -0.02 0.00 -0.44 0.00 0.00 34.13 34.20 2ncm s GLU 43 CO 0.08 -0.52 0.80 0.21 0.95 0.00 0.00 175.26 176.78 2ncm s LYS 44 N -3.69 4.35 0.40 -4.83 2.20 -1.26 0.04 119.74 116.95 2ncm s LYS 44 Ca 0.01 0.99 -0.24 0.00 -0.36 0.00 0.00 55.97 56.37 2ncm s LYS 44 Cb -0.00 -3.53 -0.09 0.00 -1.51 0.00 0.00 37.83 32.70 2ncm s LYS 44 CO -0.12 -0.19 1.07 -0.51 -0.36 0.00 0.00 175.35 175.23 2ncm s LEU 45 N 1.68 4.15 0.70 5.43 1.43 -0.73 -4.90 118.68 126.44 2ncm s LEU 45 Ca 0.39 2.09 -0.11 0.00 -1.03 0.00 0.00 54.13 55.47 2ncm s LEU 45 Cb -0.17 -4.16 0.01 0.00 0.03 0.00 0.00 46.19 41.90 2ncm s LEU 45 CO 0.15 -0.53 1.07 -0.44 0.23 0.00 0.00 176.35 176.83 2ncm s SER 46 N -1.49 5.41 0.43 2.29 0.01 -1.26 -4.85 113.70 114.24 2ncm s SER 46 Ca 0.58 1.38 0.13 0.00 1.31 0.00 0.00 55.95 59.35 2ncm s SER 46 Cb -0.24 -2.25 0.93 0.00 0.21 0.00 0.00 66.02 64.67 2ncm s SER 46 CO 0.29 -1.40 1.96 -0.65 0.41 0.00 0.00 173.24 173.86 2ncm h PRO 47 N -0.69 0.05 -2.03 12.44 0.11 -1.92 -3.36 132.00 136.61 2ncm h PRO 47 Ca -0.45 -0.01 -0.54 0.00 0.11 0.00 0.00 66.00 65.11 2ncm h PRO 47 Cb 1.23 -0.01 -0.36 0.00 0.11 0.00 0.00 31.00 31.97 2ncm h PRO 47 CO 0.60 0.24 -0.99 0.09 -0.21 0.00 0.00 178.00 177.74 2ncm n ASN 48 N -4.29 -0.48 0.00 -2.05 3.02 -1.26 -3.59 115.26 106.61 2ncm n ASN 48 Ca -0.02 -2.58 0.00 0.00 -0.03 0.00 0.00 54.58 51.95 2ncm n ASN 48 Cb 0.27 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 2ncm n ASN 48 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ncm n GLN 49 N 2.19 0.00 0.00 3.52 6.02 -1.25 -5.05 117.38 122.80 2ncm n GLN 49 Ca 0.25 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.24 2ncm n GLN 49 Cb 0.51 -0.45 0.00 0.00 1.02 0.00 0.00 30.24 31.32 2ncm n GLN 49 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2ncm n GLN 50 N -0.36 0.00 -0.11 -1.09 1.13 -1.26 -4.99 117.38 110.71 2ncm n GLN 50 Ca 0.00 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.93 2ncm n GLN 50 Cb 0.00 0.00 -0.15 0.00 0.11 0.00 0.00 30.24 30.20 2ncm n GLN 50 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2ncm n ARG 51 N -2.08 0.68 -2.89 -1.09 1.74 -1.26 -4.85 116.66 106.91 2ncm n ARG 51 Ca 0.00 0.05 -0.43 0.00 -0.77 0.00 0.00 57.85 56.70 2ncm n ARG 51 Cb 0.00 -1.52 -0.04 0.00 -1.02 0.00 0.00 32.46 29.87 2ncm n ARG 51 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2ncm s ILE 52 N -2.50 4.42 -0.22 0.55 1.01 -1.26 -1.84 121.20 121.37 2ncm s ILE 52 Ca -0.18 -0.09 -0.05 0.00 0.00 0.00 0.00 60.65 60.33 2ncm s ILE 52 Cb 0.07 -4.57 -0.02 0.00 0.01 0.00 0.00 42.46 37.95 2ncm s ILE 52 CO 0.75 -1.22 -0.00 -0.55 0.00 0.00 0.00 174.94 173.92 2ncm s SER 53 N 3.18 4.70 0.36 3.58 0.15 0.19 -3.94 113.70 121.92 2ncm s SER 53 Ca 0.25 -0.27 0.01 0.00 0.70 0.00 0.00 55.95 56.63 2ncm s SER 53 Cb -0.15 -1.81 -0.03 0.00 -1.71 0.00 0.00 66.02 62.32 2ncm s SER 53 CO 0.14 0.02 0.56 -0.69 1.20 0.00 0.00 173.24 174.47 2ncm s VAL 54 N 1.29 4.91 -0.24 4.45 1.01 -1.24 -1.70 120.40 128.89 2ncm s VAL 54 Ca 0.04 -0.48 -0.17 0.00 0.00 0.00 0.00 61.98 61.37 2ncm s VAL 54 Cb -0.15 -3.79 0.07 0.00 0.00 0.00 0.00 36.38 32.51 2ncm s VAL 54 CO 0.01 -0.52 0.60 0.54 0.00 0.00 0.00 175.10 175.73 2ncm s VAL 55 N -2.35 -0.01 -0.29 2.92 0.11 -0.73 -4.93 120.40 115.13 2ncm s VAL 55 Ca 0.41 0.02 -0.06 0.00 -2.93 0.00 0.00 61.98 59.42 2ncm s VAL 55 Cb -0.10 -0.86 0.01 0.00 -1.53 0.00 0.00 36.38 33.91 2ncm s VAL 55 CO 0.36 0.01 0.05 0.26 -3.33 0.00 0.00 175.10 172.45 2ncm s TRP 56 N 1.06 3.13 0.00 1.54 0.51 -1.26 -0.94 118.94 122.98 2ncm s TRP 56 Ca -0.06 -1.08 0.00 0.00 -2.12 0.00 0.00 56.10 52.84 2ncm s TRP 56 Cb -0.05 -2.22 0.00 0.00 -0.81 0.00 0.00 33.47 30.39 2ncm s TRP 56 CO -0.10 -0.60 0.00 0.09 -0.51 0.00 0.00 176.95 175.83 2ncm n ASN 57 N 4.83 0.00 -3.03 2.95 3.02 -0.84 -5.02 115.26 117.17 2ncm n ASN 57 Ca -0.15 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.36 2ncm n ASN 57 Cb 0.48 -0.09 0.04 0.00 -0.61 0.00 0.00 39.78 39.60 2ncm n ASN 57 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2ncm n ASP 58 N -1.98 -2.26 -0.15 6.41 -0.08 -1.19 -4.87 116.55 112.42 2ncm n ASP 58 Ca 0.00 -0.13 0.04 0.00 -1.51 0.00 0.00 54.79 53.19 2ncm n ASP 58 Cb 0.00 -0.15 0.33 0.00 2.34 0.00 0.00 41.12 43.65 2ncm n ASP 58 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 2ncm h ASP 59 N -2.21 0.68 0.00 1.67 5.19 -2.03 -3.34 116.42 116.38 2ncm h ASP 59 Ca -0.06 -0.01 -0.05 0.00 -0.62 0.00 0.00 57.03 56.30 2ncm h ASP 59 Cb 0.19 -0.16 -0.07 0.00 0.18 0.00 0.00 39.33 39.48 2ncm h ASP 59 CO 0.03 0.47 -0.28 0.47 -3.12 0.00 0.00 179.24 176.81 2ncm n ASP 60 N -4.46 -0.11 -4.62 6.45 8.00 -1.26 -5.00 116.55 115.55 2ncm n ASP 60 Ca 0.08 -1.54 -0.34 0.00 0.71 0.00 0.00 54.79 53.70 2ncm n ASP 60 Cb 0.13 -0.01 -0.10 0.00 -0.02 0.00 0.00 41.12 41.11 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 -0.65 4.82 0.15 -2.24 0.15 -1.26 -4.38 113.70 110.29 2ncm s SER 61 Ca 0.04 -0.00 0.02 0.00 0.70 0.00 0.00 55.95 56.70 2ncm s SER 61 Cb 0.04 -1.24 -0.01 0.00 -1.71 0.00 0.00 66.02 63.11 2ncm s SER 61 CO -0.02 0.34 0.08 -1.20 1.20 0.00 0.00 173.24 173.65 2ncm n SER 62 N 2.01 0.52 -3.68 5.45 7.64 -0.92 -1.98 113.62 122.67 2ncm n SER 62 Ca -0.17 -1.86 -0.14 0.00 1.01 0.00 0.00 58.87 57.71 2ncm n SER 62 Cb 0.53 0.51 -0.08 0.00 -1.01 0.00 0.00 64.21 64.15 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 -2.30 0.01 -0.59 0.44 2.01 -0.12 -1.86 115.64 113.23 2ncm s THR 63 Ca 0.11 -0.05 -0.06 0.00 0.31 0.00 0.00 61.69 62.00 2ncm s THR 63 Cb 0.01 -0.76 0.15 0.00 0.01 0.00 0.00 72.50 71.91 2ncm s THR 63 CO 0.08 -0.03 0.43 -0.22 -0.69 0.00 0.00 174.62 174.19 2ncm s LEU 64 N -0.05 5.55 0.04 4.42 0.20 -0.71 -1.77 118.68 126.36 2ncm s LEU 64 Ca -0.03 -2.52 -0.18 0.00 0.69 0.00 0.00 54.13 52.10 2ncm s LEU 64 Cb -0.03 -1.93 -0.06 0.00 -0.43 0.00 0.00 46.19 43.73 2ncm s LEU 64 CO 0.02 -0.49 0.53 -0.89 -0.29 0.00 0.00 176.35 175.23 2ncm s THR 65 N 0.44 4.85 -0.42 3.68 2.01 -0.69 -1.85 115.64 123.65 2ncm s THR 65 Ca 0.13 1.12 0.02 0.00 0.31 0.00 0.00 61.69 63.27 2ncm s THR 65 Cb -0.20 -3.85 0.15 0.00 0.01 0.00 0.00 72.50 68.60 2ncm s THR 65 CO -0.04 0.54 0.28 -0.63 -0.69 0.00 0.00 174.62 174.08 2ncm s ILE 66 N -0.93 0.81 0.05 1.82 1.01 -0.42 -0.63 121.20 122.90 2ncm s ILE 66 Ca 0.28 -2.43 -0.15 0.00 0.00 0.00 0.00 60.65 58.34 2ncm s ILE 66 Cb -0.18 -1.57 -0.06 0.00 0.01 0.00 0.00 42.46 40.66 2ncm s ILE 66 CO 0.17 -1.03 1.25 1.88 0.00 0.00 0.00 174.94 177.21 2ncm h TYR 67 N 6.42 -0.71 0.31 3.97 0.05 -1.66 -1.87 116.97 123.49 2ncm h TYR 67 Ca 0.10 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.89 2ncm h TYR 67 Cb 0.92 0.31 0.00 0.00 1.01 0.00 0.00 36.73 38.98 2ncm h TYR 67 CO 0.43 -0.25 -0.15 -0.97 -1.05 0.00 0.00 178.16 176.17 2ncm h ASN 68 N -0.29 -0.35 -3.78 3.88 -1.24 -1.78 -1.64 115.58 110.38 2ncm h ASN 68 Ca 0.01 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.03 2ncm h ASN 68 Cb 0.32 0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.46 2ncm h ASN 68 CO -0.17 -0.22 -0.23 0.00 -1.29 0.00 0.00 177.43 175.52 2ncm n ALA 69 N -2.26 -2.77 -2.73 1.57 0.00 -1.25 -1.21 120.51 111.86 2ncm n ALA 69 Ca -0.05 0.12 -0.10 0.00 0.00 0.00 0.00 53.44 53.41 2ncm n ALA 69 Cb 0.16 -0.73 -0.07 0.00 0.00 0.00 0.00 19.45 18.81 2ncm n ALA 69 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2ncm s ASN 70 N -0.79 0.03 0.63 0.00 0.01 -1.26 -2.50 114.94 111.06 2ncm s ASN 70 Ca 0.00 -0.99 0.32 0.00 -0.71 0.00 0.00 52.86 51.48 2ncm s ASN 70 Cb 0.00 0.46 1.78 0.00 0.41 0.00 0.00 41.25 43.90 2ncm s ASN 70 CO 0.00 -0.95 2.08 0.16 -1.51 0.00 0.00 177.10 176.88 2ncm h ILE 71 N 2.49 0.24 -0.03 0.60 3.07 -1.94 -0.08 117.51 121.86 2ncm h ILE 71 Ca -0.31 0.00 -0.24 0.00 1.55 0.00 0.00 64.86 65.86 2ncm h ILE 71 Cb 1.24 0.80 0.01 0.00 -0.27 0.00 0.00 36.82 38.59 2ncm h ILE 71 CO 0.46 0.00 -0.94 0.44 -1.05 0.00 0.00 178.15 177.06 2ncm h ASP 72 N 0.00 0.77 0.17 2.16 3.32 -1.96 -3.20 116.42 117.69 2ncm h ASP 72 Ca 0.06 -0.59 -0.11 0.00 0.02 0.00 0.00 57.03 56.41 2ncm h ASP 72 Cb 0.52 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 2ncm h ASP 72 CO -0.00 1.38 -0.39 0.44 -1.72 0.00 0.00 179.24 178.95 2ncm h ASP 73 N 0.36 0.30 -1.16 6.45 3.32 -1.43 -3.43 116.42 120.83 2ncm h ASP 73 Ca -0.09 -0.12 -0.65 0.00 0.02 0.00 0.00 57.03 56.19 2ncm h ASP 73 Cb 1.58 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 41.03 2ncm h ASP 73 CO 0.18 0.67 1.45 0.00 -1.72 0.00 0.00 179.24 179.82 2ncm n ALA 74 N -2.48 1.12 -3.73 3.45 0.00 -0.90 -4.79 120.51 113.18 2ncm n ALA 74 Ca -0.01 -0.13 0.04 0.00 0.00 0.00 0.00 53.44 53.33 2ncm n ALA 74 Cb 0.47 -2.61 0.00 0.00 0.00 0.00 0.00 19.45 17.31 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 7.72 -0.39 -0.82 0.00 0.00 0.18 -4.89 107.32 109.13 2ncm s GLY 75 Ca 1.09 0.64 -0.26 0.00 0.00 0.00 0.00 44.72 46.20 2ncm s GLY 75 CO 0.46 2.44 1.33 -0.42 0.00 0.00 0.00 173.10 176.91 2ncm s ILE 76 N -2.06 3.78 0.95 0.90 1.01 -1.26 -1.62 121.20 122.90 2ncm s ILE 76 Ca 0.21 0.07 -0.12 0.00 0.00 0.00 0.00 60.65 60.81 2ncm s ILE 76 Cb 0.05 -4.96 0.16 0.00 0.01 0.00 0.00 42.46 37.72 2ncm s ILE 76 CO -0.05 -1.88 1.11 -0.31 0.00 0.00 0.00 174.94 173.81 2ncm s TYR 77 N 5.54 2.31 0.10 3.97 1.51 -0.64 -4.24 117.35 125.90 2ncm s TYR 77 Ca 0.38 0.95 0.04 0.00 -1.01 0.00 0.00 57.07 57.44 2ncm s TYR 77 Cb -0.06 -3.30 -0.04 0.00 -0.11 0.00 0.00 41.96 38.45 2ncm s TYR 77 CO 0.08 -2.61 -0.11 0.21 -1.11 0.00 0.00 175.55 172.00 2ncm s LYS 78 N -5.10 0.88 -0.25 -0.62 2.20 -0.25 -1.97 119.74 114.62 2ncm s LYS 78 Ca 0.64 -1.15 -0.04 0.00 -0.36 0.00 0.00 55.97 55.07 2ncm s LYS 78 Cb -0.17 -0.64 0.09 0.00 -1.51 0.00 0.00 37.83 35.60 2ncm s LYS 78 CO 0.56 0.11 0.10 0.00 -0.36 0.00 0.00 175.35 175.76 2ncm s VAL 80 N 2.01 4.07 0.08 0.00 1.01 -0.67 -0.38 120.40 126.52 2ncm s VAL 80 Ca 0.06 -0.55 0.10 0.00 0.00 0.00 0.00 61.98 61.59 2ncm s VAL 80 Cb -0.16 -2.78 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 2ncm s VAL 80 CO -0.25 0.44 -0.25 -0.69 0.00 0.00 0.00 175.10 174.35 2ncm s VAL 81 N -1.01 2.07 -0.00 2.92 1.01 -0.61 0.46 120.40 125.24 2ncm s VAL 81 Ca 0.17 -1.52 0.06 0.00 0.00 0.00 0.00 61.98 60.69 2ncm s VAL 81 Cb -0.11 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 2ncm s VAL 81 CO 0.08 0.19 -0.18 -0.89 0.00 0.00 0.00 175.10 174.30 2ncm s THR 82 N -0.94 1.44 0.10 3.92 2.01 -0.61 -1.72 115.64 119.84 2ncm s THR 82 Ca 0.11 -0.84 -0.01 0.00 0.31 0.00 0.00 61.69 61.26 2ncm s THR 82 Cb -0.10 -1.21 0.02 0.00 0.01 0.00 0.00 72.50 71.22 2ncm s THR 82 CO 0.04 0.36 0.13 0.00 -0.69 0.00 0.00 174.62 174.46 2ncm n ALA 83 N 2.49 -0.07 0.10 7.40 0.00 -0.37 -1.94 120.51 128.12 2ncm n ALA 83 Ca -0.15 -0.21 -0.16 0.00 0.00 0.00 0.00 53.44 52.92 2ncm n ALA 83 Cb 0.54 0.01 -0.12 0.00 0.00 0.00 0.00 19.45 19.88 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 0.33 0.07 0.00 4.57 -1.88 -3.35 114.58 114.32 2ncm h GLU 84 Ca -0.04 -0.50 -0.32 0.00 -1.18 0.00 0.00 59.36 57.32 2ncm h GLU 84 Cb 0.13 0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.88 2ncm h GLU 84 CO 0.04 1.21 -1.74 0.38 -1.18 0.00 0.00 179.01 177.73 2ncm h ASP 85 N 0.12 0.24 0.00 1.04 2.03 -1.95 -3.49 116.42 114.41 2ncm h ASP 85 Ca -0.13 -0.45 0.00 0.00 -0.73 0.00 0.00 57.03 55.72 2ncm h ASP 85 Cb 1.89 -0.08 0.00 0.00 -0.83 0.00 0.00 39.33 40.32 2ncm h ASP 85 CO 0.20 1.40 0.00 0.61 -1.03 0.00 0.00 179.24 180.42 2ncm n GLY 86 N 1.72 0.52 3.56 7.15 0.00 -1.26 -5.12 105.19 111.77 2ncm n GLY 86 Ca -0.21 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.29 2ncm n GLY 86 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2ncm n THR 87 N 0.00 0.30 -4.35 2.61 -1.04 -1.26 -4.52 114.28 106.02 2ncm n THR 87 Ca 0.00 -0.18 -0.35 0.00 -2.04 0.00 0.00 64.05 61.48 2ncm n THR 87 Cb 0.00 -1.60 -0.10 0.00 -1.82 0.00 0.00 70.33 66.82 2ncm n THR 87 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2ncm s GLN 88 N 5.11 3.08 -0.25 -2.82 -0.21 -1.26 -1.23 119.66 122.08 2ncm s GLN 88 Ca 1.03 -0.40 0.01 0.00 0.02 0.00 0.00 55.36 56.02 2ncm s GLN 88 Cb -0.87 -2.83 0.07 0.00 1.00 0.00 0.00 33.01 30.38 2ncm s GLN 88 CO 0.54 0.66 -0.03 -1.54 -2.12 0.00 0.00 175.29 172.80 2ncm s SER 89 N -0.76 3.94 0.55 5.90 1.04 -0.70 -4.98 113.70 118.69 2ncm s SER 89 Ca 0.12 -1.31 0.08 0.00 0.48 0.00 0.00 55.95 55.31 2ncm s SER 89 Cb -0.12 -1.18 0.06 0.00 0.10 0.00 0.00 66.02 64.89 2ncm s SER 89 CO 0.02 -0.27 0.61 -1.83 0.98 0.00 0.00 173.24 172.75 2ncm s GLU 90 N 1.38 2.31 0.23 4.02 -1.05 -1.26 -1.57 118.70 122.76 2ncm s GLU 90 Ca -0.02 -1.78 -0.10 0.00 -0.15 0.00 0.00 54.97 52.91 2ncm s GLU 90 Cb -0.19 -2.41 -0.01 0.00 -0.44 0.00 0.00 34.13 31.08 2ncm s GLU 90 CO -0.08 -0.71 0.40 0.00 0.95 0.00 0.00 175.26 175.82 2ncm s ALA 91 N -2.69 0.03 0.01 -0.84 0.00 0.48 -4.64 121.76 114.12 2ncm s ALA 91 Ca 0.49 -1.03 -0.11 0.00 0.00 0.00 0.00 51.96 51.31 2ncm s ALA 91 Cb -0.04 1.12 0.01 0.00 0.00 0.00 0.00 23.12 24.21 2ncm s ALA 91 CO 0.31 -0.79 0.24 0.95 0.00 0.00 0.00 175.76 176.46 2ncm s THR 92 N -4.04 0.08 -0.11 0.00 -4.23 -1.26 -1.99 115.64 104.09 2ncm s THR 92 Ca 0.25 -0.68 -0.04 0.00 -1.18 0.00 0.00 61.69 60.05 2ncm s THR 92 Cb 0.01 -0.71 0.05 0.00 1.34 0.00 0.00 72.50 73.19 2ncm s THR 92 CO 0.09 -0.37 0.07 0.54 -0.54 0.00 0.00 174.62 174.41 2ncm s VAL 93 N -1.88 -0.07 -1.00 2.29 0.11 -0.83 -4.67 120.40 114.34 2ncm s VAL 93 Ca -0.10 0.09 -0.23 0.00 -2.93 0.00 0.00 61.98 58.80 2ncm s VAL 93 Cb -0.04 -0.40 -0.03 0.00 -1.53 0.00 0.00 36.38 34.38 2ncm s VAL 93 CO 0.00 -0.06 1.83 0.21 -3.33 0.00 0.00 175.10 173.74 2ncm s ASN 94 N 2.14 5.52 -0.07 3.54 2.47 -0.43 -1.61 114.94 126.49 2ncm s ASN 94 Ca 0.03 -1.13 -0.23 0.00 0.42 0.00 0.00 52.86 51.95 2ncm s ASN 94 Cb -0.14 -2.57 -0.04 0.00 -1.45 0.00 0.00 41.25 37.05 2ncm s ASN 94 CO -0.06 -2.44 0.67 -0.69 -3.72 0.00 0.00 177.10 170.85 2ncm s VAL 95 N 8.80 5.07 0.24 -5.21 1.01 -0.64 -1.85 120.40 127.81 2ncm s VAL 95 Ca 0.64 1.37 0.10 0.00 0.00 0.00 0.00 61.98 64.09 2ncm s VAL 95 Cb -0.03 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 2ncm s VAL 95 CO 0.00 0.27 -0.09 -0.75 0.00 0.00 0.00 175.10 174.53 2ncm s LYS 96 N 0.75 2.04 -0.12 2.72 2.20 -0.64 0.52 119.74 127.21 2ncm s LYS 96 Ca 0.36 -1.47 -0.09 0.00 -0.36 0.00 0.00 55.97 54.42 2ncm s LYS 96 Cb -0.17 -2.05 0.04 0.00 -1.51 0.00 0.00 37.83 34.14 2ncm s LYS 96 CO 0.17 0.38 0.30 0.42 -0.36 0.00 0.00 175.35 176.26 2ncm s ILE 97 N -2.16 -0.02 -0.09 5.43 1.01 -1.26 -1.99 121.20 122.13 2ncm s ILE 97 Ca 0.29 0.06 0.03 0.00 0.00 0.00 0.00 60.65 61.03 2ncm s ILE 97 Cb -0.07 -0.44 0.00 0.00 0.01 0.00 0.00 42.46 41.97 2ncm s ILE 97 CO 0.17 0.03 -0.20 0.72 0.00 0.00 0.00 174.94 175.65 2ncm s PHE 98 N 0.71 2.19 -2.00 3.97 -0.71 -0.82 -4.66 117.98 116.67 2ncm s PHE 98 Ca -0.05 -0.88 0.30 0.00 -1.04 0.00 0.00 56.93 55.26 2ncm s PHE 98 Cb -0.06 -1.50 1.76 0.00 -1.21 0.00 0.00 43.02 42.02 2ncm s PHE 98 CO -0.05 -0.37 2.10 0.94 -1.34 0.00 0.00 175.22 176.50