#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 0.45 -0.33 1.55 -7.23 -1.26 -5.05 120.40 108.53 2ncm s VAL 2 Ca 0.00 -0.55 -0.02 0.00 -1.81 0.00 0.00 61.98 59.60 2ncm s VAL 2 Cb 0.00 -1.00 0.19 0.00 0.56 0.00 0.00 36.38 36.12 2ncm s VAL 2 CO 0.00 -0.25 0.85 -0.22 -0.31 0.00 0.00 175.10 175.17 2ncm s LEU 3 N 1.89 -0.92 0.05 1.32 2.96 -1.25 -3.83 118.68 118.90 2ncm s LEU 3 Ca -0.00 -0.20 0.08 0.00 -0.22 0.00 0.00 54.13 53.79 2ncm s LEU 3 Cb -0.17 1.35 -0.03 0.00 0.50 0.00 0.00 46.19 47.84 2ncm s LEU 3 CO -0.09 -0.13 -0.23 -1.58 -1.32 0.00 0.00 176.35 173.00 2ncm s GLN 4 N 2.36 1.91 -0.05 1.98 2.00 0.21 -4.86 119.66 123.21 2ncm s GLN 4 Ca 0.17 -1.06 -0.08 0.00 -2.00 0.00 0.00 55.36 52.40 2ncm s GLN 4 Cb -0.03 -2.07 0.01 0.00 0.80 0.00 0.00 33.01 31.73 2ncm s GLN 4 CO -0.17 0.52 0.19 0.08 -0.50 0.00 0.00 175.29 175.42 2ncm s VAL 5 N -0.86 0.03 -0.28 1.34 1.01 -1.26 -1.91 120.40 118.46 2ncm s VAL 5 Ca 0.13 -0.24 -0.17 0.00 0.00 0.00 0.00 61.98 61.69 2ncm s VAL 5 Cb -0.10 -0.36 0.08 0.00 0.00 0.00 0.00 36.38 36.00 2ncm s VAL 5 CO 0.04 -0.13 0.70 -1.81 0.00 0.00 0.00 175.10 173.89 2ncm s ASP 6 N -0.45 -0.91 -0.12 3.32 1.01 -0.73 -4.85 116.67 113.93 2ncm s ASP 6 Ca -0.05 1.49 -0.05 0.00 0.71 0.00 0.00 52.55 54.65 2ncm s ASP 6 Cb -0.04 1.40 -0.04 0.00 1.01 0.00 0.00 42.92 45.25 2ncm s ASP 6 CO 0.01 -0.24 0.06 -0.63 0.21 0.00 0.00 175.17 174.58 2ncm s ILE 7 N 1.43 4.78 -0.08 0.77 1.01 -1.26 -1.47 121.20 126.38 2ncm s ILE 7 Ca -0.08 -0.06 0.04 0.00 0.00 0.00 0.00 60.65 60.55 2ncm s ILE 7 Cb -0.05 -3.08 0.00 0.00 0.01 0.00 0.00 42.46 39.35 2ncm s ILE 7 CO -0.17 0.57 -0.21 -0.69 0.00 0.00 0.00 174.94 174.45 2ncm s VAL 8 N -0.55 1.78 0.84 2.92 1.01 -0.67 -3.89 120.40 121.84 2ncm s VAL 8 Ca 0.11 -0.87 -0.12 0.00 0.00 0.00 0.00 61.98 61.09 2ncm s VAL 8 Cb -0.12 -1.55 0.10 0.00 0.00 0.00 0.00 36.38 34.81 2ncm s VAL 8 CO 0.02 0.50 1.17 -2.16 0.00 0.00 0.00 175.10 174.63 2ncm s PRO 9 N 0.34 1.72 0.10 2.72 0.04 -1.26 -1.63 135.00 137.04 2ncm s PRO 9 Ca -0.15 0.14 -0.16 0.00 0.04 0.00 0.00 61.00 60.86 2ncm s PRO 9 Cb -0.17 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.39 2ncm s PRO 9 CO 0.07 -1.77 1.49 0.66 0.04 0.00 0.00 177.00 177.49 2ncm h SER 10 N -1.18 0.62 -3.31 6.66 4.64 -1.94 -3.40 113.55 115.64 2ncm h SER 10 Ca -0.47 -0.38 -0.57 0.00 -0.47 0.00 0.00 61.79 59.91 2ncm h SER 10 Cb 1.33 -0.17 -0.40 0.00 -0.31 0.00 0.00 62.40 62.85 2ncm h SER 10 CO 0.64 0.86 -0.76 0.00 -0.87 0.00 0.00 176.83 176.70 2ncm s GLN 11 N -4.73 0.90 -0.59 4.77 -2.07 -1.26 -1.59 119.66 115.09 2ncm s GLN 11 Ca -0.13 -0.85 -0.13 0.00 -1.82 0.00 0.00 55.36 52.43 2ncm s GLN 11 Cb 0.09 -2.19 0.15 0.00 -1.09 0.00 0.00 33.01 29.97 2ncm s GLN 11 CO 0.79 -0.79 0.51 0.20 -1.32 0.00 0.00 175.29 174.68 2ncm s GLY 12 N 1.64 2.22 -0.02 2.60 0.00 -0.46 -5.00 107.32 108.30 2ncm s GLY 12 Ca 0.03 -2.75 -0.26 0.00 0.00 0.00 0.00 44.72 41.74 2ncm s GLY 12 CO -0.15 1.18 0.81 -0.54 0.00 0.00 0.00 173.10 174.40 2ncm s GLU 13 N 1.13 4.50 0.13 2.90 2.02 -1.26 -2.01 118.70 126.10 2ncm s GLU 13 Ca 0.08 1.11 -0.03 0.00 0.02 0.00 0.00 54.97 56.15 2ncm s GLU 13 Cb -0.24 -3.43 -0.03 0.00 0.10 0.00 0.00 34.13 30.53 2ncm s GLU 13 CO -0.01 0.08 0.10 0.42 0.02 0.00 0.00 175.26 175.87 2ncm s ILE 14 N 0.65 0.10 0.15 -1.63 1.09 -0.71 -4.95 121.20 115.91 2ncm s ILE 14 Ca 0.43 -1.79 0.06 0.00 -1.10 0.00 0.00 60.65 58.24 2ncm s ILE 14 Cb -0.20 -1.97 -0.04 0.00 -1.06 0.00 0.00 42.46 39.20 2ncm s ILE 14 CO 0.23 -0.46 0.06 -0.94 -0.10 0.00 0.00 174.94 173.73 2ncm s SER 15 N -3.02 5.20 0.24 3.58 1.04 -1.26 -1.98 113.70 117.49 2ncm s SER 15 Ca 0.22 -0.21 -0.30 0.00 0.48 0.00 0.00 55.95 56.13 2ncm s SER 15 Cb 0.07 -1.27 -0.10 0.00 0.10 0.00 0.00 66.02 64.82 2ncm s SER 15 CO 0.01 0.10 1.41 -0.69 0.98 0.00 0.00 173.24 175.05 2ncm s VAL 16 N -1.64 2.79 0.00 5.02 1.01 -0.82 -2.25 120.40 124.51 2ncm s VAL 16 Ca 0.29 0.66 0.00 0.00 0.00 0.00 0.00 61.98 62.93 2ncm s VAL 16 Cb -0.10 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.86 2ncm s VAL 16 CO 0.21 0.10 0.00 0.61 0.00 0.00 0.00 175.10 176.02 2ncm n GLY 17 N 2.25 2.03 3.49 4.51 0.00 -1.19 -4.96 105.19 111.32 2ncm n GLY 17 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 2ncm n GLY 17 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ncm s GLU 18 N -0.90 1.86 0.94 1.61 -1.05 -0.95 -4.79 118.70 115.43 2ncm s GLU 18 Ca 0.00 -1.13 -0.15 0.00 -0.15 0.00 0.00 54.97 53.54 2ncm s GLU 18 Cb 0.00 -2.15 0.17 0.00 -0.44 0.00 0.00 34.13 31.71 2ncm s GLU 18 CO 0.00 0.49 1.24 -1.54 0.95 0.00 0.00 175.26 176.40 2ncm s SER 19 N -2.04 3.29 -0.30 0.83 1.04 -1.23 -3.49 113.70 111.80 2ncm s SER 19 Ca 0.18 0.54 -0.12 0.00 0.48 0.00 0.00 55.95 57.04 2ncm s SER 19 Cb -0.11 -0.80 0.15 0.00 0.10 0.00 0.00 66.02 65.36 2ncm s SER 19 CO 0.10 -2.65 0.82 -1.59 0.98 0.00 0.00 173.24 170.90 2ncm s LYS 20 N -5.67 0.42 0.08 4.02 -2.85 -0.36 -4.93 119.74 110.46 2ncm s LYS 20 Ca 0.69 1.02 0.09 0.00 -1.00 0.00 0.00 55.97 56.77 2ncm s LYS 20 Cb -0.08 0.61 -0.03 0.00 -2.06 0.00 0.00 37.83 36.26 2ncm s LYS 20 CO 0.52 -0.20 -0.22 -0.59 0.10 0.00 0.00 175.35 174.97 2ncm s PHE 21 N 2.70 2.44 -0.22 1.78 -0.12 -1.26 -0.99 117.98 122.32 2ncm s PHE 21 Ca -0.01 -0.32 0.01 0.00 -0.05 0.00 0.00 56.93 56.56 2ncm s PHE 21 Cb -0.10 -1.37 0.05 0.00 -0.63 0.00 0.00 43.02 40.97 2ncm s PHE 21 CO -0.18 0.27 -0.09 -0.06 -0.05 0.00 0.00 175.22 175.11 2ncm s PHE 22 N -0.98 2.57 -0.40 3.49 0.40 -0.76 -4.73 117.98 117.57 2ncm s PHE 22 Ca 0.15 -1.76 -0.29 0.00 -0.60 0.00 0.00 56.93 54.42 2ncm s PHE 22 Cb -0.10 -1.68 0.02 0.00 0.51 0.00 0.00 43.02 41.77 2ncm s PHE 22 CO 0.06 -0.78 1.15 -1.17 0.70 0.00 0.00 175.22 175.18 2ncm s LEU 23 N 1.34 3.77 -0.58 -0.37 2.96 -0.64 -1.74 118.68 123.41 2ncm s LEU 23 Ca -0.04 0.79 -0.19 0.00 -0.22 0.00 0.00 54.13 54.48 2ncm s LEU 23 Cb -0.17 -3.55 0.10 0.00 0.50 0.00 0.00 46.19 43.07 2ncm s LEU 23 CO -0.07 -1.11 0.68 0.00 -1.32 0.00 0.00 176.35 174.53 2ncm s GLN 25 N 2.58 3.46 0.14 0.00 -0.21 -0.54 -1.96 119.66 123.13 2ncm s GLN 25 Ca 0.11 -0.20 -0.01 0.00 0.02 0.00 0.00 55.36 55.28 2ncm s GLN 25 Cb -0.24 -2.57 -0.04 0.00 1.00 0.00 0.00 33.01 31.16 2ncm s GLN 25 CO 0.06 0.01 0.06 0.14 -2.12 0.00 0.00 175.29 173.44 2ncm s VAL 26 N -2.46 0.10 -0.26 1.09 -7.23 -1.26 -1.78 120.40 108.60 2ncm s VAL 26 Ca 0.43 -1.92 -0.02 0.00 -1.81 0.00 0.00 61.98 58.66 2ncm s VAL 26 Cb -0.10 -2.08 0.12 0.00 0.56 0.00 0.00 36.38 34.88 2ncm s VAL 26 CO 0.39 -0.43 0.28 0.00 -0.31 0.00 0.00 175.10 175.02 2ncm s ALA 27 N -4.06 -0.44 0.00 1.32 0.00 -0.80 -4.95 121.76 112.83 2ncm s ALA 27 Ca 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.18 2ncm s ALA 27 Cb 0.07 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.57 2ncm s ALA 27 CO 0.03 -1.51 0.00 0.41 0.00 0.00 0.00 175.76 174.69 2ncm n GLY 28 N 5.32 4.06 2.75 0.00 0.00 -1.26 -0.62 105.19 115.43 2ncm n GLY 28 Ca -0.03 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 45.10 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 5.15 -2.20 1.61 -0.08 -1.26 -4.86 116.55 114.91 2ncm n ASP 29 Ca 0.00 -3.59 -0.29 0.00 -1.51 0.00 0.00 54.79 49.40 2ncm n ASP 29 Cb 0.00 -0.81 0.07 0.00 2.34 0.00 0.00 41.12 42.71 2ncm n ASP 29 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2ncm n ALA 30 N 0.30 5.95 -0.02 -1.67 0.00 -1.25 -4.94 120.51 118.89 2ncm n ALA 30 Ca 0.33 -2.89 0.00 0.00 0.00 0.00 0.00 53.44 50.88 2ncm n ALA 30 Cb 0.36 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 18.16 2ncm n ALA 30 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2ncm n LYS 31 N -0.49 0.00 -0.33 0.00 0.00 -1.26 -2.85 118.16 113.23 2ncm n LYS 31 Ca 0.52 0.00 0.29 0.00 -0.00 0.00 0.00 58.31 59.12 2ncm n LYS 31 Cb 0.63 0.00 0.55 0.00 -0.00 0.00 0.00 35.03 36.20 2ncm n LYS 31 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 2ncm h ASP 32 N 0.00 0.39 -0.34 -5.58 3.58 -1.88 -3.44 116.42 109.14 2ncm h ASP 32 Ca 0.00 0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.68 2ncm h ASP 32 Cb 0.00 0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.27 2ncm h ASP 32 CO 0.00 -0.33 0.00 0.29 -2.88 0.00 0.00 179.24 176.32 2ncm n LYS 33 N -5.18 0.00 -3.02 0.28 5.02 -0.12 -4.82 118.16 110.31 2ncm n LYS 33 Ca 0.36 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 56.22 2ncm n LYS 33 Cb 1.17 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 36.13 2ncm n LYS 33 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2ncm s ASP 34 N -0.14 6.41 0.67 4.39 1.11 -0.72 -4.75 116.67 123.65 2ncm s ASP 34 Ca 0.00 -0.05 -0.14 0.00 0.18 0.00 0.00 52.55 52.54 2ncm s ASP 34 Cb 0.00 -2.36 0.00 0.00 1.07 0.00 0.00 42.92 41.63 2ncm s ASP 34 CO 0.00 -0.80 1.09 -0.63 1.18 0.00 0.00 175.17 176.01 2ncm s ILE 35 N 3.05 3.44 0.12 0.77 1.09 -1.26 -1.85 121.20 126.56 2ncm s ILE 35 Ca 0.27 0.61 -0.15 0.00 -1.10 0.00 0.00 60.65 60.28 2ncm s ILE 35 Cb -0.13 -3.14 0.03 0.00 -1.06 0.00 0.00 42.46 38.15 2ncm s ILE 35 CO 0.20 -0.47 0.37 -0.44 -0.10 0.00 0.00 174.94 174.50 2ncm s SER 36 N -2.89 -0.19 -0.07 3.58 0.01 0.18 -4.92 113.70 109.40 2ncm s SER 36 Ca 0.64 -0.37 -0.02 0.00 1.31 0.00 0.00 55.95 57.52 2ncm s SER 36 Cb -0.18 0.46 0.03 0.00 0.21 0.00 0.00 66.02 66.54 2ncm s SER 36 CO 0.45 -0.84 0.03 0.26 0.41 0.00 0.00 173.24 173.55 2ncm s TRP 37 N -3.81 0.44 -0.29 2.43 0.52 -1.26 -1.93 118.94 115.03 2ncm s TRP 37 Ca 0.03 -0.06 -0.04 0.00 0.02 0.00 0.00 56.10 56.05 2ncm s TRP 37 Cb 0.02 -0.69 0.03 0.00 -1.15 0.00 0.00 33.47 31.68 2ncm s TRP 37 CO -0.12 -0.31 0.01 -0.06 0.02 0.00 0.00 176.95 176.50 2ncm s PHE 38 N 2.05 3.16 0.63 -1.98 0.08 -0.82 -2.07 117.98 119.03 2ncm s PHE 38 Ca 0.04 -1.48 -0.18 0.00 0.12 0.00 0.00 56.93 55.44 2ncm s PHE 38 Cb -0.13 -2.15 -0.02 0.00 -0.57 0.00 0.00 43.02 40.16 2ncm s PHE 38 CO -0.05 -0.71 1.23 -1.54 -0.10 0.00 0.00 175.22 174.05 2ncm s SER 39 N 1.36 4.85 0.64 1.36 1.04 -0.16 -0.61 113.70 122.18 2ncm s SER 39 Ca -0.01 2.46 0.13 0.00 0.48 0.00 0.00 55.95 59.01 2ncm s SER 39 Cb -0.18 -2.60 0.54 0.00 0.10 0.00 0.00 66.02 63.88 2ncm s SER 39 CO -0.01 -1.83 1.24 1.55 0.98 0.00 0.00 173.24 175.17 2ncm h PRO 40 N 0.59 0.00 -0.22 4.02 0.13 -1.87 0.52 132.00 135.18 2ncm h PRO 40 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2ncm h PRO 40 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2ncm h PRO 40 CO 0.54 0.00 0.00 -1.71 -0.23 0.00 0.00 178.00 176.60 2ncm n ASN 41 N -2.85 0.24 -2.13 1.44 5.15 -1.26 -4.84 115.26 111.00 2ncm n ASN 41 Ca 0.08 -2.00 -0.13 0.00 -0.60 0.00 0.00 54.58 51.93 2ncm n ASN 41 Cb 1.10 -0.11 0.04 0.00 -0.53 0.00 0.00 39.78 40.28 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 0.40 0.14 3.41 8.20 0.00 0.15 -5.04 105.19 112.46 2ncm n GLY 42 Ca 0.00 -0.18 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 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 -5.67 0.56 0.31 1.61 2.02 -1.09 -4.99 118.70 111.46 2ncm s GLU 43 Ca 0.31 0.82 -0.30 0.00 0.02 0.00 0.00 54.97 55.82 2ncm s GLU 43 Cb -0.14 0.18 -0.11 0.00 0.10 0.00 0.00 34.13 34.17 2ncm s GLU 43 CO 0.38 -0.11 1.59 0.21 0.02 0.00 0.00 175.26 177.35 2ncm s LYS 44 N 0.79 4.10 -0.08 1.61 2.20 -1.26 -0.99 119.74 126.11 2ncm s LYS 44 Ca -0.04 2.61 -0.04 0.00 -0.36 0.00 0.00 55.97 58.14 2ncm s LYS 44 Cb -0.05 -3.00 -0.04 0.00 -1.51 0.00 0.00 37.83 33.23 2ncm s LYS 44 CO -0.06 -0.64 0.08 -0.48 -0.36 0.00 0.00 175.35 173.89 2ncm s LEU 45 N -0.81 4.02 0.64 5.43 0.05 -0.88 -4.83 118.68 122.31 2ncm s LEU 45 Ca 0.62 0.30 -0.13 0.00 0.05 0.00 0.00 54.13 54.97 2ncm s LEU 45 Cb -0.48 -2.04 -0.02 0.00 -2.05 0.00 0.00 46.19 41.61 2ncm s LEU 45 CO 0.51 0.37 1.05 -0.44 -0.55 0.00 0.00 176.35 177.29 2ncm s SER 46 N -1.13 5.67 -0.12 1.48 0.01 -1.26 -4.84 113.70 113.51 2ncm s SER 46 Ca 0.16 1.65 0.07 0.00 1.31 0.00 0.00 55.95 59.15 2ncm s SER 46 Cb -0.12 -2.50 0.41 0.00 0.21 0.00 0.00 66.02 64.02 2ncm s SER 46 CO 0.06 -1.24 1.14 -0.81 0.41 0.00 0.00 173.24 172.79 2ncm n PRO 47 N -2.66 2.94 -1.79 12.44 -0.04 -1.26 -4.03 135.00 140.61 2ncm n PRO 47 Ca 0.08 -1.59 -0.03 0.00 -0.04 0.00 0.00 63.50 61.92 2ncm n PRO 47 Cb 0.53 -1.87 0.02 0.00 -0.04 0.00 0.00 33.50 32.14 2ncm n PRO 47 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2ncm n ASN 48 N 0.33 -0.68 0.00 3.54 3.02 -1.26 -4.17 115.26 116.04 2ncm n ASN 48 Ca 0.14 -2.08 0.00 0.00 -0.03 0.00 0.00 54.58 52.61 2ncm n ASN 48 Cb 0.72 0.29 0.00 0.00 -0.61 0.00 0.00 39.78 40.17 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 -0.52 0.00 0.00 3.52 6.02 -1.26 -5.02 117.38 120.13 2ncm n GLN 49 Ca -0.17 0.48 0.00 0.00 -0.01 0.00 0.00 57.00 57.30 2ncm n GLN 49 Cb 0.82 -1.25 0.00 0.00 1.02 0.00 0.00 30.24 30.83 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 -1.94 0.00 -0.11 -1.09 6.02 -1.26 -5.01 117.38 113.99 2ncm n GLN 50 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.85 2ncm n GLN 50 Cb 0.00 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.12 2ncm n GLN 50 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2ncm n ARG 51 N -1.21 0.68 -2.45 -1.09 1.74 -1.26 -4.84 116.66 108.23 2ncm n ARG 51 Ca 0.00 0.07 -0.40 0.00 -0.77 0.00 0.00 57.85 56.75 2ncm n ARG 51 Cb 0.00 -1.52 -0.03 0.00 -1.02 0.00 0.00 32.46 29.89 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 3.69 -0.22 0.55 1.01 -1.26 -2.05 121.20 120.42 2ncm s ILE 52 Ca -0.23 0.14 -0.05 0.00 0.00 0.00 0.00 60.65 60.51 2ncm s ILE 52 Cb 0.08 -4.76 -0.02 0.00 0.01 0.00 0.00 42.46 37.77 2ncm s ILE 52 CO 0.71 -1.69 0.01 -0.55 0.00 0.00 0.00 174.94 173.42 2ncm s SER 53 N 4.80 4.79 0.34 3.58 0.15 0.07 -4.27 113.70 123.16 2ncm s SER 53 Ca 0.43 -0.24 0.01 0.00 0.70 0.00 0.00 55.95 56.85 2ncm s SER 53 Cb -0.07 -1.83 -0.03 0.00 -1.71 0.00 0.00 66.02 62.37 2ncm s SER 53 CO 0.11 0.02 0.53 -0.69 1.20 0.00 0.00 173.24 174.41 2ncm s VAL 54 N 1.26 5.12 -0.20 4.45 1.01 -1.26 -1.54 120.40 129.23 2ncm s VAL 54 Ca 0.04 -0.50 -0.16 0.00 0.00 0.00 0.00 61.98 61.36 2ncm s VAL 54 Cb -0.15 -3.86 0.06 0.00 0.00 0.00 0.00 36.38 32.43 2ncm s VAL 54 CO 0.01 -0.54 0.52 0.54 0.00 0.00 0.00 175.10 175.64 2ncm s VAL 55 N -2.28 -0.01 -0.33 2.92 0.11 -0.73 -4.90 120.40 115.18 2ncm s VAL 55 Ca 0.39 0.02 -0.06 0.00 -2.93 0.00 0.00 61.98 59.41 2ncm s VAL 55 Cb -0.10 -0.74 0.04 0.00 -1.53 0.00 0.00 36.38 34.05 2ncm s VAL 55 CO 0.35 0.01 0.09 0.26 -3.33 0.00 0.00 175.10 172.48 2ncm s TRP 56 N 0.74 3.24 0.00 1.54 0.51 -1.26 -0.68 118.94 123.02 2ncm s TRP 56 Ca -0.04 -1.41 0.00 0.00 -2.12 0.00 0.00 56.10 52.53 2ncm s TRP 56 Cb -0.05 -2.26 0.00 0.00 -0.81 0.00 0.00 33.47 30.35 2ncm s TRP 56 CO -0.05 -0.72 0.00 0.09 -0.51 0.00 0.00 176.95 175.76 2ncm n ASN 57 N 4.80 0.00 -3.11 2.95 3.02 -0.68 -5.00 115.26 117.24 2ncm n ASN 57 Ca -0.13 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.26 2ncm n ASN 57 Cb 0.45 -0.18 0.15 0.00 -0.61 0.00 0.00 39.78 39.59 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 -1.87 -2.68 -0.20 6.41 2.03 -1.17 -4.88 116.55 114.19 2ncm n ASP 58 Ca 0.00 -0.61 0.07 0.00 0.52 0.00 0.00 54.79 54.77 2ncm n ASP 58 Cb 0.00 -0.54 0.34 0.00 -0.72 0.00 0.00 41.12 40.20 2ncm n ASP 58 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2ncm h ASP 59 N -2.59 0.69 0.00 1.67 3.32 -2.01 -3.32 116.42 114.18 2ncm h ASP 59 Ca -0.22 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.84 2ncm h ASP 59 Cb 0.71 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.12 2ncm h ASP 59 CO 0.13 0.44 -0.22 0.47 -1.72 0.00 0.00 179.24 178.34 2ncm n ASP 60 N -4.49 0.00 -4.82 6.45 8.00 -1.26 -5.04 116.55 115.40 2ncm n ASP 60 Ca 0.12 -1.44 -0.36 0.00 0.71 0.00 0.00 54.79 53.82 2ncm n ASP 60 Cb 0.25 -0.09 -0.07 0.00 -0.02 0.00 0.00 41.12 41.19 2ncm n ASP 60 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2ncm s SER 61 N -0.44 5.98 0.00 -2.24 1.04 -1.25 -4.63 113.70 112.16 2ncm s SER 61 Ca 0.00 0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.76 2ncm s SER 61 Cb 0.00 -1.85 0.00 0.00 0.10 0.00 0.00 66.02 64.27 2ncm s SER 61 CO 0.00 0.38 0.00 -1.20 0.98 0.00 0.00 173.24 173.40 2ncm n SER 62 N 1.87 0.41 -3.65 7.02 7.64 -0.83 -1.69 113.62 124.39 2ncm n SER 62 Ca -0.18 -0.85 -0.14 0.00 1.01 0.00 0.00 58.87 58.70 2ncm n SER 62 Cb 0.54 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.67 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 -1.62 0.00 -0.65 0.44 2.01 0.14 -1.79 115.64 114.17 2ncm s THR 63 Ca 0.00 -0.01 -0.06 0.00 0.31 0.00 0.00 61.69 61.94 2ncm s THR 63 Cb 0.00 -0.90 0.17 0.00 0.01 0.00 0.00 72.50 71.78 2ncm s THR 63 CO 0.00 -0.00 0.50 -0.22 -0.69 0.00 0.00 174.62 174.20 2ncm s LEU 64 N 0.19 5.59 0.17 4.42 0.20 -0.71 -1.77 118.68 126.77 2ncm s LEU 64 Ca -0.01 -2.75 -0.20 0.00 0.69 0.00 0.00 54.13 51.87 2ncm s LEU 64 Cb -0.04 -1.94 -0.08 0.00 -0.43 0.00 0.00 46.19 43.70 2ncm s LEU 64 CO 0.02 -0.44 0.67 -0.89 -0.29 0.00 0.00 176.35 175.42 2ncm s THR 65 N 0.10 4.61 -0.32 3.68 2.01 -0.59 -1.84 115.64 123.29 2ncm s THR 65 Ca 0.16 1.27 -0.01 0.00 0.31 0.00 0.00 61.69 63.42 2ncm s THR 65 Cb -0.18 -3.90 0.12 0.00 0.01 0.00 0.00 72.50 68.55 2ncm s THR 65 CO -0.04 0.34 0.20 -0.63 -0.69 0.00 0.00 174.62 173.79 2ncm s ILE 66 N -1.36 -0.03 0.00 1.82 1.01 -0.16 -0.75 121.20 121.73 2ncm s ILE 66 Ca 0.38 -1.17 0.00 0.00 0.00 0.00 0.00 60.65 59.86 2ncm s ILE 66 Cb -0.18 -1.01 0.00 0.00 0.01 0.00 0.00 42.46 41.28 2ncm s ILE 66 CO 0.21 -0.81 0.00 -1.22 0.00 0.00 0.00 174.94 173.12 2ncm n TYR 67 N 4.65 0.00 -1.54 3.97 4.01 -0.87 -1.22 117.16 126.16 2ncm n TYR 67 Ca 0.04 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.51 2ncm n TYR 67 Cb 0.40 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.34 2ncm n TYR 67 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2ncm n ASN 68 N 0.00 1.27 -4.82 7.72 4.05 -1.26 -3.48 115.26 118.74 2ncm n ASN 68 Ca 0.00 -0.76 -0.33 0.00 0.45 0.00 0.00 54.58 53.94 2ncm n ASN 68 Cb 0.00 -1.36 -0.03 0.00 1.23 0.00 0.00 39.78 39.62 2ncm n ASN 68 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2ncm s ALA 69 N 10.88 2.94 0.12 5.20 0.00 -1.23 -4.89 121.76 134.80 2ncm s ALA 69 Ca 1.07 0.34 -0.12 0.00 0.00 0.00 0.00 51.96 53.26 2ncm s ALA 69 Cb -0.42 -3.18 0.01 0.00 0.00 0.00 0.00 23.12 19.53 2ncm s ALA 69 CO 0.28 -0.34 0.30 -0.80 0.00 0.00 0.00 175.76 175.20 2ncm s ASN 70 N -2.67 -0.04 0.62 0.00 0.01 -1.26 -3.18 114.94 108.41 2ncm s ASN 70 Ca 0.62 -0.57 0.31 0.00 -0.71 0.00 0.00 52.86 52.51 2ncm s ASN 70 Cb -0.12 0.42 1.71 0.00 0.41 0.00 0.00 41.25 43.67 2ncm s ASN 70 CO 0.28 -0.83 2.05 0.16 -1.51 0.00 0.00 177.10 177.25 2ncm h ILE 71 N 2.54 0.27 -0.25 0.60 3.07 -1.96 -0.21 117.51 121.57 2ncm h ILE 71 Ca -0.33 0.00 -0.16 0.00 1.55 0.00 0.00 64.86 65.91 2ncm h ILE 71 Cb 1.23 0.77 0.00 0.00 -0.27 0.00 0.00 36.82 38.55 2ncm h ILE 71 CO 0.50 0.00 -0.49 0.44 -1.05 0.00 0.00 178.15 177.56 2ncm h ASP 72 N 0.00 0.86 -0.03 2.16 3.32 -1.96 -3.14 116.42 117.63 2ncm h ASP 72 Ca 0.08 -0.54 -0.10 0.00 0.02 0.00 0.00 57.03 56.49 2ncm h ASP 72 Cb 0.60 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 2ncm h ASP 72 CO -0.00 1.24 -0.27 0.44 -1.72 0.00 0.00 179.24 178.93 2ncm h ASP 73 N 0.52 0.46 -1.41 6.45 3.32 -1.45 -3.44 116.42 120.87 2ncm h ASP 73 Ca 0.01 -0.16 -0.68 0.00 0.02 0.00 0.00 57.03 56.23 2ncm h ASP 73 Cb 1.09 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.51 2ncm h ASP 73 CO 0.11 0.72 1.23 0.00 -1.72 0.00 0.00 179.24 179.58 2ncm n ALA 74 N -2.49 0.74 0.00 3.45 0.00 -0.96 -4.85 120.51 116.40 2ncm n ALA 74 Ca -0.01 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2ncm n ALA 74 Cb 0.41 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.40 2ncm n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ncm n GLY 75 N 5.53 -0.04 3.53 0.00 0.00 0.14 -4.90 105.19 109.44 2ncm n GLY 75 Ca 0.34 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 2ncm n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ncm s ILE 76 N -2.00 3.88 0.93 -0.61 1.01 -1.26 -1.73 121.20 121.42 2ncm s ILE 76 Ca 0.00 0.28 -0.13 0.00 0.00 0.00 0.00 60.65 60.80 2ncm s ILE 76 Cb 0.00 -4.85 0.15 0.00 0.01 0.00 0.00 42.46 37.77 2ncm s ILE 76 CO 0.00 -1.73 1.16 -0.31 0.00 0.00 0.00 174.94 174.07 2ncm s TYR 77 N 5.30 2.25 0.10 3.97 1.51 -0.75 -3.67 117.35 126.07 2ncm s TYR 77 Ca 0.33 0.74 0.03 0.00 -1.01 0.00 0.00 57.07 57.15 2ncm s TYR 77 Cb -0.10 -3.50 -0.04 0.00 -0.11 0.00 0.00 41.96 38.21 2ncm s TYR 77 CO 0.15 -2.48 -0.08 0.21 -1.11 0.00 0.00 175.55 172.24 2ncm s LYS 78 N -5.40 0.82 -0.13 -0.62 2.20 0.22 -1.98 119.74 114.85 2ncm s LYS 78 Ca 0.66 -1.24 -0.04 0.00 -0.36 0.00 0.00 55.97 54.99 2ncm s LYS 78 Cb -0.12 -0.33 0.05 0.00 -1.51 0.00 0.00 37.83 35.91 2ncm s LYS 78 CO 0.53 0.02 0.08 0.00 -0.36 0.00 0.00 175.35 175.63 2ncm s VAL 80 N 2.15 2.21 -0.05 0.00 1.01 -0.81 -0.42 120.40 124.49 2ncm s VAL 80 Ca 0.03 -1.03 0.05 0.00 0.00 0.00 0.00 61.98 61.03 2ncm s VAL 80 Cb -0.15 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 2ncm s VAL 80 CO -0.07 0.58 -0.21 -0.69 0.00 0.00 0.00 175.10 174.70 2ncm s VAL 81 N -0.43 1.75 0.12 2.92 1.01 -0.83 0.48 120.40 125.43 2ncm s VAL 81 Ca 0.04 -0.89 0.09 0.00 0.00 0.00 0.00 61.98 61.22 2ncm s VAL 81 Cb -0.12 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 2ncm s VAL 81 CO 0.01 0.49 -0.16 -0.89 0.00 0.00 0.00 175.10 174.55 2ncm s THR 82 N -0.03 2.97 0.31 3.92 2.01 -0.77 -1.28 115.64 122.77 2ncm s THR 82 Ca -0.05 -1.45 0.04 0.00 0.31 0.00 0.00 61.69 60.54 2ncm s THR 82 Cb -0.13 -2.37 0.05 0.00 0.01 0.00 0.00 72.50 70.06 2ncm s THR 82 CO 0.03 0.10 0.43 0.00 -0.69 0.00 0.00 174.62 174.49 2ncm n ALA 83 N 0.76 0.55 0.16 7.40 0.00 0.11 -0.94 120.51 128.55 2ncm n ALA 83 Ca -0.15 -1.08 -0.10 0.00 0.00 0.00 0.00 53.44 52.11 2ncm n ALA 83 Cb 0.53 0.27 -0.06 0.00 0.00 0.00 0.00 19.45 20.19 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 -0.45 0.00 0.00 4.81 -1.87 -3.29 114.58 113.78 2ncm h GLU 84 Ca -0.15 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.09 2ncm h GLU 84 Cb 0.64 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.12 2ncm h GLU 84 CO 0.20 -0.18 -0.14 0.38 -0.73 0.00 0.00 179.01 178.53 2ncm h ASP 85 N -1.03 0.00 0.00 1.04 2.03 -1.97 -3.46 116.42 113.03 2ncm h ASP 85 Ca -0.05 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.25 2ncm h ASP 85 Cb 0.48 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.98 2ncm h ASP 85 CO 0.08 0.14 0.00 0.61 -1.03 0.00 0.00 179.24 179.04 2ncm n GLY 86 N -1.01 0.68 3.59 7.15 0.00 -1.24 -5.10 105.19 109.25 2ncm n GLY 86 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.35 3.11 -0.09 2.61 2.01 -1.26 -4.56 115.64 117.10 2ncm s THR 87 Ca 0.00 0.10 0.04 0.00 0.31 0.00 0.00 61.69 62.14 2ncm s THR 87 Cb 0.00 -3.18 0.00 0.00 0.01 0.00 0.00 72.50 69.33 2ncm s THR 87 CO 0.00 -0.13 -0.21 0.00 -0.69 0.00 0.00 174.62 173.58 2ncm s GLN 88 N 6.73 2.75 0.55 4.92 -2.07 -1.26 -0.71 119.66 130.56 2ncm s GLN 88 Ca 0.94 -0.78 0.09 0.00 -1.82 0.00 0.00 55.36 53.79 2ncm s GLN 88 Cb -0.26 -2.10 0.06 0.00 -1.09 0.00 0.00 33.01 29.62 2ncm s GLN 88 CO 0.32 0.15 0.67 0.45 -1.32 0.00 0.00 175.29 175.56 2ncm s SER 89 N 0.40 5.05 0.37 12.60 0.15 -0.41 -4.94 113.70 126.93 2ncm s SER 89 Ca -0.18 -0.89 -0.09 0.00 0.70 0.00 0.00 55.95 55.49 2ncm s SER 89 Cb -0.17 0.20 0.03 0.00 -1.71 0.00 0.00 66.02 64.37 2ncm s SER 89 CO 0.08 -1.21 0.65 -1.83 1.20 0.00 0.00 173.24 172.13 2ncm s GLU 90 N -4.53 2.12 0.29 5.44 -1.05 -1.26 -1.96 118.70 117.76 2ncm s GLU 90 Ca 0.55 -1.61 -0.18 0.00 -0.15 0.00 0.00 54.97 53.57 2ncm s GLU 90 Cb -0.05 0.55 0.02 0.00 -0.44 0.00 0.00 34.13 34.20 2ncm s GLU 90 CO 0.34 -0.95 0.68 0.00 0.95 0.00 0.00 175.26 176.29 2ncm s ALA 91 N -2.57 -0.92 0.04 -0.84 0.00 0.44 -4.77 121.76 113.15 2ncm s ALA 91 Ca 0.22 -0.51 -0.09 0.00 0.00 0.00 0.00 51.96 51.58 2ncm s ALA 91 Cb -0.03 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.96 2ncm s ALA 91 CO 0.16 -0.99 0.19 0.95 0.00 0.00 0.00 175.76 176.07 2ncm s THR 92 N -3.67 0.11 -0.09 0.00 -4.23 -1.26 -1.91 115.64 104.59 2ncm s THR 92 Ca 0.14 -0.92 -0.03 0.00 -1.18 0.00 0.00 61.69 59.70 2ncm s THR 92 Cb -0.05 -0.94 0.04 0.00 1.34 0.00 0.00 72.50 72.90 2ncm s THR 92 CO 0.08 -0.51 0.09 0.54 -0.54 0.00 0.00 174.62 174.28 2ncm s VAL 93 N -2.64 -0.13 -0.72 2.29 0.11 -0.84 -4.71 120.40 113.76 2ncm s VAL 93 Ca -0.04 0.22 -0.26 0.00 -2.93 0.00 0.00 61.98 58.97 2ncm s VAL 93 Cb -0.01 -0.32 -0.02 0.00 -1.53 0.00 0.00 36.38 34.50 2ncm s VAL 93 CO -0.04 0.02 1.83 0.21 -3.33 0.00 0.00 175.10 173.79 2ncm s ASN 94 N 2.18 5.33 -0.19 3.54 3.04 -0.62 -1.80 114.94 126.41 2ncm s ASN 94 Ca 0.04 -0.06 -0.11 0.00 0.04 0.00 0.00 52.86 52.77 2ncm s ASN 94 Cb -0.13 -2.54 -0.05 0.00 -1.54 0.00 0.00 41.25 36.99 2ncm s ASN 94 CO -0.05 -2.42 0.17 -0.69 -3.04 0.00 0.00 177.10 171.06 2ncm s VAL 95 N 9.01 5.39 0.20 -5.21 1.01 -0.71 -1.36 120.40 128.74 2ncm s VAL 95 Ca 0.65 0.26 0.11 0.00 0.00 0.00 0.00 61.98 63.00 2ncm s VAL 95 Cb -0.10 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 2ncm s VAL 95 CO 0.13 0.42 -0.19 -0.54 0.00 0.00 0.00 175.10 174.92 2ncm s LYS 96 N 0.43 1.69 -0.13 2.72 1.02 -0.85 0.24 119.74 124.85 2ncm s LYS 96 Ca 0.10 -1.50 -0.06 0.00 0.02 0.00 0.00 55.97 54.53 2ncm s LYS 96 Cb -0.12 -1.92 0.06 0.00 -0.52 0.00 0.00 37.83 35.34 2ncm s LYS 96 CO -0.00 0.40 0.29 0.42 -0.92 0.00 0.00 175.35 175.53 2ncm s ILE 97 N -1.82 -0.23 -0.03 2.17 1.01 -1.25 -1.73 121.20 119.31 2ncm s ILE 97 Ca 0.23 0.19 0.05 0.00 0.00 0.00 0.00 60.65 61.12 2ncm s ILE 97 Cb -0.08 -0.46 -0.01 0.00 0.01 0.00 0.00 42.46 41.92 2ncm s ILE 97 CO 0.12 0.08 -0.18 0.72 0.00 0.00 0.00 174.94 175.68 2ncm s PHE 98 N 1.84 1.75 -2.80 3.97 -0.71 -0.84 -4.57 117.98 116.62 2ncm s PHE 98 Ca -0.05 -0.44 0.22 0.00 -1.04 0.00 0.00 56.93 55.63 2ncm s PHE 98 Cb -0.11 -1.16 0.18 0.00 -1.21 0.00 0.00 43.02 40.72 2ncm s PHE 98 CO -0.10 -0.12 1.21 0.00 -1.34 0.00 0.00 175.22 174.88