#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 4.81 -0.33 5.15 -7.23 -1.26 -4.88 120.40 116.65 2ncm s VAL 2 Ca 0.00 -1.34 -0.05 0.00 -1.81 0.00 0.00 61.98 58.78 2ncm s VAL 2 Cb 0.00 -4.64 0.19 0.00 0.56 0.00 0.00 36.38 32.49 2ncm s VAL 2 CO 0.00 -1.33 0.93 -0.22 -0.31 0.00 0.00 175.10 174.18 2ncm s LEU 3 N 2.56 -0.68 0.10 1.32 2.96 -1.24 -4.12 118.68 119.59 2ncm s LEU 3 Ca 0.23 -0.20 0.06 0.00 -0.22 0.00 0.00 54.13 53.99 2ncm s LEU 3 Cb -0.13 1.04 -0.03 0.00 0.50 0.00 0.00 46.19 47.57 2ncm s LEU 3 CO -0.02 -0.09 -0.15 -1.58 -1.32 0.00 0.00 176.35 173.19 2ncm s GLN 4 N 2.25 0.95 -0.04 1.98 0.74 0.14 -4.78 119.66 120.90 2ncm s GLN 4 Ca 0.18 -1.12 -0.19 0.00 0.05 0.00 0.00 55.36 54.27 2ncm s GLN 4 Cb -0.00 -0.91 0.04 0.00 1.10 0.00 0.00 33.01 33.23 2ncm s GLN 4 CO -0.16 0.19 0.42 0.08 -0.55 0.00 0.00 175.29 175.27 2ncm s VAL 5 N -1.72 0.04 -0.28 1.34 1.01 -1.26 -1.53 120.40 117.99 2ncm s VAL 5 Ca 0.04 -0.30 -0.16 0.00 0.00 0.00 0.00 61.98 61.56 2ncm s VAL 5 Cb -0.07 -0.71 0.08 0.00 0.00 0.00 0.00 36.38 35.68 2ncm s VAL 5 CO 0.03 -0.16 0.68 -1.81 0.00 0.00 0.00 175.10 173.83 2ncm s ASP 6 N -1.10 -0.93 -0.11 3.32 1.01 -0.84 -4.81 116.67 113.22 2ncm s ASP 6 Ca -0.11 1.49 -0.14 0.00 0.71 0.00 0.00 52.55 54.50 2ncm s ASP 6 Cb -0.04 1.37 -0.05 0.00 1.01 0.00 0.00 42.92 45.22 2ncm s ASP 6 CO 0.05 -0.24 0.34 -0.63 0.21 0.00 0.00 175.17 174.90 2ncm s ILE 7 N 1.58 5.23 -0.15 0.77 1.01 -1.26 -1.72 121.20 126.66 2ncm s ILE 7 Ca -0.10 0.65 0.00 0.00 0.00 0.00 0.00 60.65 61.21 2ncm s ILE 7 Cb -0.05 -3.66 -0.00 0.00 0.01 0.00 0.00 42.46 38.76 2ncm s ILE 7 CO -0.19 0.46 -0.15 -0.69 0.00 0.00 0.00 174.94 174.36 2ncm s VAL 8 N -0.09 2.67 0.60 2.92 1.01 -0.70 -3.97 120.40 122.85 2ncm s VAL 8 Ca 0.20 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 61.32 2ncm s VAL 8 Cb -0.14 -2.12 0.14 0.00 0.00 0.00 0.00 36.38 34.25 2ncm s VAL 8 CO 0.07 0.52 0.82 -0.81 0.00 0.00 0.00 175.10 175.70 2ncm n PRO 9 N 3.97 -0.65 -0.01 2.72 -0.04 -1.26 -1.91 135.00 137.83 2ncm n PRO 9 Ca -0.19 -1.42 -0.17 0.00 -0.04 0.00 0.00 63.50 61.69 2ncm n PRO 9 Cb 0.52 -0.80 -0.13 0.00 -0.04 0.00 0.00 33.50 33.06 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 -0.99 0.28 -3.36 3.54 4.64 -1.93 -3.44 113.55 112.30 2ncm h SER 10 Ca -0.27 -0.87 -0.54 0.00 -0.47 0.00 0.00 61.79 59.65 2ncm h SER 10 Cb 0.77 -0.09 -0.39 0.00 -0.31 0.00 0.00 62.40 62.38 2ncm h SER 10 CO 0.20 1.12 -0.77 0.00 -0.87 0.00 0.00 176.83 176.51 2ncm s GLN 11 N -2.77 0.97 -0.41 4.77 -2.07 -1.26 -1.47 119.66 117.43 2ncm s GLN 11 Ca -0.16 -0.53 -0.06 0.00 -1.82 0.00 0.00 55.36 52.80 2ncm s GLN 11 Cb 0.00 -2.14 0.09 0.00 -1.09 0.00 0.00 33.01 29.88 2ncm s GLN 11 CO 0.77 -0.58 0.22 0.20 -1.32 0.00 0.00 175.29 174.57 2ncm s GLY 12 N 1.73 1.96 0.04 2.60 0.00 -0.55 -5.00 107.32 108.10 2ncm s GLY 12 Ca -0.01 -2.30 -0.25 0.00 0.00 0.00 0.00 44.72 42.16 2ncm s GLY 12 CO -0.07 0.98 0.77 -0.54 0.00 0.00 0.00 173.10 174.23 2ncm s GLU 13 N 1.29 4.50 0.11 2.90 8.01 -1.26 -1.68 118.70 132.56 2ncm s GLU 13 Ca 0.04 1.07 -0.05 0.00 0.01 0.00 0.00 54.97 56.04 2ncm s GLU 13 Cb -0.23 -3.37 -0.02 0.00 -4.31 0.00 0.00 34.13 26.20 2ncm s GLU 13 CO -0.01 0.25 0.13 0.42 0.01 0.00 0.00 175.26 176.06 2ncm s ILE 14 N 0.04 0.13 0.07 -1.63 1.09 -0.67 -4.94 121.20 115.29 2ncm s ILE 14 Ca 0.39 -1.54 0.01 0.00 -1.10 0.00 0.00 60.65 58.41 2ncm s ILE 14 Cb -0.20 -1.65 -0.04 0.00 -1.06 0.00 0.00 42.46 39.50 2ncm s ILE 14 CO 0.23 -0.61 0.18 -0.94 -0.10 0.00 0.00 174.94 173.70 2ncm s SER 15 N -2.94 6.16 0.18 3.58 1.04 -1.26 -1.74 113.70 118.72 2ncm s SER 15 Ca 0.12 0.20 -0.31 0.00 0.48 0.00 0.00 55.95 56.45 2ncm s SER 15 Cb 0.06 -1.85 -0.09 0.00 0.10 0.00 0.00 66.02 64.24 2ncm s SER 15 CO -0.05 0.17 1.47 -0.69 0.98 0.00 0.00 173.24 175.11 2ncm s VAL 16 N -1.49 2.85 0.00 5.02 1.01 -0.81 -2.23 120.40 124.75 2ncm s VAL 16 Ca 0.34 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.96 2ncm s VAL 16 Cb -0.13 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.84 2ncm s VAL 16 CO 0.27 0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.04 2ncm n GLY 17 N 3.14 1.85 3.47 4.51 0.00 -1.18 -4.93 105.19 112.04 2ncm n GLY 17 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.71 1.95 0.89 1.61 -1.05 -0.95 -4.77 118.70 115.68 2ncm s GLU 18 Ca 0.00 -1.07 -0.14 0.00 -0.15 0.00 0.00 54.97 53.62 2ncm s GLU 18 Cb 0.00 -2.16 0.14 0.00 -0.44 0.00 0.00 34.13 31.67 2ncm s GLU 18 CO 0.00 0.51 1.24 -1.54 0.95 0.00 0.00 175.26 176.42 2ncm s SER 19 N -1.75 3.75 -0.30 0.83 1.04 -1.23 -3.50 113.70 112.56 2ncm s SER 19 Ca 0.16 0.56 -0.14 0.00 0.48 0.00 0.00 55.95 57.01 2ncm s SER 19 Cb -0.11 -0.85 0.15 0.00 0.10 0.00 0.00 66.02 65.31 2ncm s SER 19 CO 0.07 -2.36 0.90 -1.59 0.98 0.00 0.00 173.24 171.25 2ncm s LYS 20 N -5.70 0.38 0.15 4.02 -2.85 -0.40 -4.97 119.74 110.37 2ncm s LYS 20 Ca 0.68 0.91 0.08 0.00 -1.00 0.00 0.00 55.97 56.63 2ncm s LYS 20 Cb -0.08 0.48 -0.04 0.00 -2.06 0.00 0.00 37.83 36.13 2ncm s LYS 20 CO 0.51 -0.12 -0.10 -0.59 0.10 0.00 0.00 175.35 175.15 2ncm s PHE 21 N 2.38 2.68 -0.12 1.78 -0.12 -1.26 -1.04 117.98 122.28 2ncm s PHE 21 Ca -0.04 -0.19 -0.00 0.00 -0.05 0.00 0.00 56.93 56.64 2ncm s PHE 21 Cb -0.07 -1.35 0.03 0.00 -0.63 0.00 0.00 43.02 40.99 2ncm s PHE 21 CO -0.18 0.47 -0.07 -0.06 -0.05 0.00 0.00 175.22 175.33 2ncm s PHE 22 N -1.47 1.49 -0.47 3.49 0.40 -0.71 -4.77 117.98 115.95 2ncm s PHE 22 Ca 0.23 -0.78 -0.29 0.00 -0.60 0.00 0.00 56.93 55.49 2ncm s PHE 22 Cb -0.10 -1.23 0.02 0.00 0.51 0.00 0.00 43.02 42.22 2ncm s PHE 22 CO 0.14 -0.53 1.22 -1.17 0.70 0.00 0.00 175.22 175.58 2ncm s LEU 23 N 1.71 3.60 -0.98 -0.37 1.98 -0.80 -1.52 118.68 122.30 2ncm s LEU 23 Ca 0.04 0.52 -0.18 0.00 -2.89 0.00 0.00 54.13 51.63 2ncm s LEU 23 Cb -0.13 -3.51 0.14 0.00 0.66 0.00 0.00 46.19 43.34 2ncm s LEU 23 CO -0.08 -1.33 1.18 0.00 -1.89 0.00 0.00 176.35 174.24 2ncm s GLN 25 N 2.49 3.66 0.28 0.00 -0.21 -0.70 -2.15 119.66 123.03 2ncm s GLN 25 Ca 0.35 0.71 0.04 0.00 0.02 0.00 0.00 55.36 56.47 2ncm s GLN 25 Cb -0.04 -2.14 -0.06 0.00 1.00 0.00 0.00 33.01 31.77 2ncm s GLN 25 CO -0.08 -0.45 0.03 0.14 -2.12 0.00 0.00 175.29 172.81 2ncm s VAL 26 N -2.99 1.13 -0.29 1.09 -7.23 -1.26 -1.99 120.40 108.85 2ncm s VAL 26 Ca 0.55 -2.03 0.02 0.00 -1.81 0.00 0.00 61.98 58.71 2ncm s VAL 26 Cb -0.11 -2.60 0.19 0.00 0.56 0.00 0.00 36.38 34.43 2ncm s VAL 26 CO 0.48 -0.14 0.64 0.00 -0.31 0.00 0.00 175.10 175.77 2ncm s ALA 27 N -3.35 -2.50 0.00 1.32 0.00 -0.58 -4.92 121.76 111.73 2ncm s ALA 27 Ca 0.33 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.66 2ncm s ALA 27 Cb 0.07 -2.43 0.00 0.00 0.00 0.00 0.00 23.12 20.76 2ncm s ALA 27 CO 0.13 -1.66 0.00 0.41 0.00 0.00 0.00 175.76 174.64 2ncm n GLY 28 N 5.41 2.55 2.40 0.00 0.00 -1.26 -0.69 105.19 113.60 2ncm n GLY 28 Ca 0.03 0.19 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 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 6.48 -2.82 1.61 8.00 -1.26 -4.82 116.55 123.74 2ncm n ASP 29 Ca 0.00 -3.19 -0.12 0.00 0.71 0.00 0.00 54.79 52.19 2ncm n ASP 29 Cb 0.00 -1.20 0.09 0.00 -0.02 0.00 0.00 41.12 39.98 2ncm n ASP 29 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ncm n ALA 30 N 0.78 -0.90 0.10 2.24 0.00 -1.26 -4.98 120.51 116.50 2ncm n ALA 30 Ca 0.46 -0.67 -0.03 0.00 0.00 0.00 0.00 53.44 53.20 2ncm n ALA 30 Cb 0.56 -0.04 0.02 0.00 0.00 0.00 0.00 19.45 19.99 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 0.00 -2.13 0.00 6.56 -1.92 -3.48 116.57 115.60 2ncm h LYS 31 Ca -0.17 0.00 0.15 0.00 -1.06 0.00 0.00 60.65 59.57 2ncm h LYS 31 Cb 0.48 0.00 -0.15 0.00 -0.57 0.00 0.00 32.23 31.99 2ncm h LYS 31 CO 0.12 0.76 0.56 0.34 -2.06 0.00 0.00 179.45 179.16 2ncm s ASP 32 N -6.66 -0.30 -0.43 0.86 2.15 -1.26 -5.04 116.67 105.99 2ncm s ASP 32 Ca 0.01 -0.05 0.06 0.00 0.43 0.00 0.00 52.55 53.00 2ncm s ASP 32 Cb 0.10 0.35 0.17 0.00 -0.30 0.00 0.00 42.92 43.24 2ncm s ASP 32 CO 0.78 -0.58 0.53 -1.59 -0.17 0.00 0.00 175.17 174.14 2ncm s LYS 33 N -3.00 0.84 -0.35 4.34 0.00 -1.25 -4.46 119.74 115.85 2ncm s LYS 33 Ca 0.07 -0.92 -0.28 0.00 0.00 0.00 0.00 55.97 54.84 2ncm s LYS 33 Cb -0.01 -0.42 -0.01 0.00 0.00 0.00 0.00 37.83 37.39 2ncm s LYS 33 CO -0.07 -1.25 1.72 0.34 0.00 0.00 0.00 175.35 176.08 2ncm s ASP 34 N 1.22 5.97 0.63 0.03 2.15 -0.70 -4.68 116.67 121.29 2ncm s ASP 34 Ca 0.22 1.18 -0.13 0.00 0.43 0.00 0.00 52.55 54.24 2ncm s ASP 34 Cb -0.06 -2.53 -0.02 0.00 -0.30 0.00 0.00 42.92 40.01 2ncm s ASP 34 CO -0.06 -1.66 1.05 -0.63 -0.17 0.00 0.00 175.17 173.69 2ncm s ILE 35 N 6.62 3.99 0.15 4.11 1.09 -1.26 -1.68 121.20 134.22 2ncm s ILE 35 Ca 0.75 0.80 -0.18 0.00 -1.10 0.00 0.00 60.65 60.93 2ncm s ILE 35 Cb -0.20 -3.43 0.04 0.00 -1.06 0.00 0.00 42.46 37.81 2ncm s ILE 35 CO 0.33 -0.69 0.47 -0.44 -0.10 0.00 0.00 174.94 174.50 2ncm s SER 36 N -3.29 -0.32 -0.13 3.58 0.01 0.17 -4.93 113.70 108.79 2ncm s SER 36 Ca 0.60 -0.27 -0.02 0.00 1.31 0.00 0.00 55.95 57.57 2ncm s SER 36 Cb -0.14 0.52 0.04 0.00 0.21 0.00 0.00 66.02 66.65 2ncm s SER 36 CO 0.45 -0.91 0.03 0.26 0.41 0.00 0.00 173.24 173.47 2ncm s TRP 37 N -3.80 0.69 -0.26 2.43 0.52 -1.26 -1.60 118.94 115.65 2ncm s TRP 37 Ca 0.04 -0.40 -0.04 0.00 0.02 0.00 0.00 56.10 55.71 2ncm s TRP 37 Cb 0.01 -0.84 0.01 0.00 -1.15 0.00 0.00 33.47 31.49 2ncm s TRP 37 CO -0.11 -0.44 -0.00 -0.06 0.02 0.00 0.00 176.95 176.36 2ncm s PHE 38 N 1.97 3.07 0.70 -1.98 0.40 -0.70 -1.64 117.98 119.80 2ncm s PHE 38 Ca 0.02 -1.18 -0.16 0.00 -0.60 0.00 0.00 56.93 55.01 2ncm s PHE 38 Cb -0.14 -2.14 0.02 0.00 0.51 0.00 0.00 43.02 41.26 2ncm s PHE 38 CO -0.07 -0.62 1.24 -1.54 0.70 0.00 0.00 175.22 174.93 2ncm s SER 39 N 1.43 4.36 0.00 1.36 1.04 -0.52 0.18 113.70 121.55 2ncm s SER 39 Ca 0.02 2.46 0.00 0.00 0.48 0.00 0.00 55.95 58.91 2ncm s SER 39 Cb -0.16 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.36 2ncm s SER 39 CO -0.01 -2.16 0.40 -2.65 0.98 0.00 0.00 173.24 169.80 2ncm n PRO 40 N -2.39 0.00 -1.45 4.02 -0.01 -1.23 -2.05 135.00 131.88 2ncm n PRO 40 Ca 0.14 0.40 -0.09 0.00 -0.01 0.00 0.00 63.50 63.94 2ncm n PRO 40 Cb 0.49 -0.64 0.10 0.00 -0.01 0.00 0.00 33.50 33.44 2ncm n PRO 40 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 175.50 173.78 2ncm n ASN 41 N -1.94 3.27 -0.00 2.55 4.05 -1.26 -4.65 115.26 117.28 2ncm n ASN 41 Ca 0.00 -3.66 0.01 0.00 0.45 0.00 0.00 54.58 51.39 2ncm n ASN 41 Cb 0.00 -0.42 -0.02 0.00 1.23 0.00 0.00 39.78 40.56 2ncm n ASN 41 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2ncm n GLY 42 N -0.82 0.04 2.83 8.20 0.00 -0.87 -5.14 105.19 109.42 2ncm n GLY 42 Ca 0.30 -0.07 0.03 0.00 0.00 0.00 0.00 46.02 46.28 2ncm n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ncm n GLU 43 N -1.50 -0.44 -1.52 1.61 1.02 -0.96 -4.70 120.64 114.15 2ncm n GLU 43 Ca -0.00 0.29 -0.41 0.00 -0.02 0.00 0.00 57.16 57.02 2ncm n GLU 43 Cb 0.07 -0.54 -0.07 0.00 -0.02 0.00 0.00 31.44 30.88 2ncm n GLU 43 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2ncm n LYS 44 N -1.30 0.78 -2.07 3.49 4.81 -1.26 -1.44 118.16 121.18 2ncm n LYS 44 Ca 0.00 0.07 -0.32 0.00 -0.87 0.00 0.00 58.31 57.20 2ncm n LYS 44 Cb 0.10 -2.69 0.00 0.00 0.02 0.00 0.00 35.03 32.46 2ncm n LYS 44 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 2ncm s LEU 45 N 10.19 3.46 0.63 3.14 0.05 -0.65 -4.94 118.68 130.56 2ncm s LEU 45 Ca 1.11 1.66 -0.12 0.00 0.05 0.00 0.00 54.13 56.83 2ncm s LEU 45 Cb -0.63 -4.51 -0.03 0.00 -2.05 0.00 0.00 46.19 38.97 2ncm s LEU 45 CO 0.38 -0.98 1.04 -0.44 -0.55 0.00 0.00 176.35 175.79 2ncm s SER 46 N -3.19 6.01 0.10 1.48 0.01 -1.26 -4.83 113.70 112.02 2ncm s SER 46 Ca 0.60 1.51 -0.05 0.00 1.31 0.00 0.00 55.95 59.32 2ncm s SER 46 Cb -0.13 -2.48 -0.18 0.00 0.21 0.00 0.00 66.02 63.43 2ncm s SER 46 CO 0.40 -1.02 1.22 -0.65 0.41 0.00 0.00 173.24 173.60 2ncm h PRO 47 N -0.27 0.36 -2.15 12.44 0.11 -1.92 -3.38 132.00 137.18 2ncm h PRO 47 Ca -0.44 -0.48 -0.59 0.00 0.11 0.00 0.00 66.00 64.60 2ncm h PRO 47 Cb 1.20 0.16 -0.41 0.00 0.11 0.00 0.00 31.00 32.05 2ncm h PRO 47 CO 0.60 1.17 -0.73 0.09 -0.21 0.00 0.00 178.00 178.92 2ncm n ASN 48 N -3.66 2.96 -0.03 -2.05 3.02 -1.26 -3.28 115.26 110.95 2ncm n ASN 48 Ca -0.08 -3.29 -0.08 0.00 -0.03 0.00 0.00 54.58 51.10 2ncm n ASN 48 Cb 0.92 -0.65 -0.03 0.00 -0.61 0.00 0.00 39.78 39.42 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 0.83 0.19 0.00 3.52 10.64 -1.26 -5.13 117.38 126.17 2ncm n GLN 49 Ca 0.28 0.08 0.00 0.00 -1.83 0.00 0.00 57.00 55.53 2ncm n GLN 49 Cb 0.44 -0.83 0.00 0.00 -0.86 0.00 0.00 30.24 29.00 2ncm n GLN 49 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 2ncm n GLN 50 N -3.54 0.00 0.12 2.61 6.02 -1.26 -5.01 117.38 116.31 2ncm n GLN 50 Ca -0.14 0.00 0.19 0.00 -0.01 0.00 0.00 57.00 57.04 2ncm n GLN 50 Cb 0.49 0.00 0.70 0.00 1.02 0.00 0.00 30.24 32.45 2ncm n GLN 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ncm h ARG 51 N 0.00 0.00 -6.22 -1.09 3.08 -1.96 -3.37 114.38 104.81 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 -0.10 0.00 0.08 0.00 0.00 29.97 29.95 2ncm h ARG 51 CO 0.00 0.00 0.81 0.42 -1.07 0.00 0.00 179.97 180.13 2ncm s ILE 52 N -4.46 4.14 -0.22 2.04 1.01 -1.26 -2.09 121.20 120.36 2ncm s ILE 52 Ca -0.04 0.54 -0.05 0.00 0.00 0.00 0.00 60.65 61.10 2ncm s ILE 52 Cb 0.13 -4.68 -0.02 0.00 0.01 0.00 0.00 42.46 37.90 2ncm s ILE 52 CO 0.46 -1.33 0.01 -0.55 0.00 0.00 0.00 174.94 173.53 2ncm s SER 53 N 3.05 4.81 0.35 3.58 0.15 0.08 -4.51 113.70 121.20 2ncm s SER 53 Ca 0.36 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.78 2ncm s SER 53 Cb -0.10 -1.83 -0.03 0.00 -1.71 0.00 0.00 66.02 62.34 2ncm s SER 53 CO 0.21 0.02 0.55 -0.69 1.20 0.00 0.00 173.24 174.54 2ncm s VAL 54 N 1.24 5.10 0.05 4.45 1.01 -1.21 -1.54 120.40 129.50 2ncm s VAL 54 Ca 0.04 -0.44 -0.16 0.00 0.00 0.00 0.00 61.98 61.42 2ncm s VAL 54 Cb -0.15 -3.86 0.03 0.00 0.00 0.00 0.00 36.38 32.40 2ncm s VAL 54 CO 0.01 -0.56 0.35 0.54 0.00 0.00 0.00 175.10 175.44 2ncm s VAL 55 N -2.32 0.07 -0.18 2.92 0.11 -0.78 -4.95 120.40 115.28 2ncm s VAL 55 Ca 0.40 -0.60 -0.02 0.00 -2.93 0.00 0.00 61.98 58.84 2ncm s VAL 55 Cb -0.10 -0.97 0.05 0.00 -1.53 0.00 0.00 36.38 33.84 2ncm s VAL 55 CO 0.36 -0.33 0.01 0.26 -3.33 0.00 0.00 175.10 172.07 2ncm s TRP 56 N -2.64 1.23 0.00 1.54 0.51 -1.26 -1.54 118.94 116.78 2ncm s TRP 56 Ca -0.04 -0.90 0.00 0.00 -2.12 0.00 0.00 56.10 53.04 2ncm s TRP 56 Cb -0.00 -1.10 0.00 0.00 -0.81 0.00 0.00 33.47 31.55 2ncm s TRP 56 CO -0.04 -0.59 0.00 0.09 -0.51 0.00 0.00 176.95 175.90 2ncm n ASN 57 N 4.99 0.00 -3.10 2.95 3.02 -0.72 -5.01 115.26 117.39 2ncm n ASN 57 Ca -0.09 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.33 2ncm n ASN 57 Cb 0.47 -0.02 0.12 0.00 -0.61 0.00 0.00 39.78 39.75 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 -1.40 -2.87 -0.34 6.41 2.03 -1.22 -4.86 116.55 114.30 2ncm n ASP 58 Ca 0.00 -0.36 0.11 0.00 0.52 0.00 0.00 54.79 55.06 2ncm n ASP 58 Cb 0.00 -0.42 0.28 0.00 -0.72 0.00 0.00 41.12 40.27 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 -2.66 0.75 0.00 1.67 3.58 -2.03 -3.30 116.42 114.43 2ncm h ASP 59 Ca -0.16 0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.35 2ncm h ASP 59 Cb 0.54 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.51 2ncm h ASP 59 CO 0.10 0.30 -0.34 0.47 -2.88 0.00 0.00 179.24 176.88 2ncm n ASP 60 N -4.77 0.02 -4.88 2.28 8.00 -1.26 -4.98 116.55 110.95 2ncm n ASP 60 Ca 0.21 -1.62 -0.36 0.00 0.71 0.00 0.00 54.79 53.73 2ncm n ASP 60 Cb 0.50 -0.10 -0.06 0.00 -0.02 0.00 0.00 41.12 41.45 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 -0.71 6.40 0.11 -2.24 1.04 -1.25 -4.52 113.70 112.53 2ncm s SER 61 Ca 0.03 0.46 0.02 0.00 0.48 0.00 0.00 55.95 56.94 2ncm s SER 61 Cb 0.03 -2.06 -0.01 0.00 0.10 0.00 0.00 66.02 64.08 2ncm s SER 61 CO -0.01 0.37 0.07 -1.20 0.98 0.00 0.00 173.24 173.45 2ncm n SER 62 N 1.75 0.29 -3.61 7.02 7.64 -0.92 -1.76 113.62 124.02 2ncm n SER 62 Ca -0.18 -1.65 -0.15 0.00 1.01 0.00 0.00 58.87 57.90 2ncm n SER 62 Cb 0.54 0.42 -0.07 0.00 -1.01 0.00 0.00 64.21 64.09 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 -2.24 0.01 -0.52 0.44 2.01 -0.59 -1.75 115.64 113.00 2ncm s THR 63 Ca 0.10 -0.06 -0.00 0.00 0.31 0.00 0.00 61.69 62.03 2ncm s THR 63 Cb 0.00 -0.89 0.13 0.00 0.01 0.00 0.00 72.50 71.76 2ncm s THR 63 CO 0.07 -0.03 0.30 -0.22 -0.69 0.00 0.00 174.62 174.04 2ncm s LEU 64 N -0.52 4.96 0.13 4.42 0.20 -0.58 -1.86 118.68 125.43 2ncm s LEU 64 Ca -0.06 -2.63 -0.22 0.00 0.69 0.00 0.00 54.13 51.91 2ncm s LEU 64 Cb -0.03 -1.77 -0.07 0.00 -0.43 0.00 0.00 46.19 43.89 2ncm s LEU 64 CO 0.05 -0.38 0.67 -0.89 -0.29 0.00 0.00 176.35 175.52 2ncm s THR 65 N 0.26 4.57 -0.33 3.68 2.01 -0.59 -1.74 115.64 123.51 2ncm s THR 65 Ca 0.14 1.41 -0.01 0.00 0.31 0.00 0.00 61.69 63.54 2ncm s THR 65 Cb -0.22 -3.99 0.12 0.00 0.01 0.00 0.00 72.50 68.42 2ncm s THR 65 CO -0.03 0.49 0.16 -0.63 -0.69 0.00 0.00 174.62 173.92 2ncm s ILE 66 N -1.18 0.37 0.00 1.82 1.01 -0.21 -0.74 121.20 122.27 2ncm s ILE 66 Ca 0.34 -1.40 0.00 0.00 0.00 0.00 0.00 60.65 59.59 2ncm s ILE 66 Cb -0.21 -1.29 0.00 0.00 0.01 0.00 0.00 42.46 40.98 2ncm s ILE 66 CO 0.22 -0.82 0.00 -1.22 0.00 0.00 0.00 174.94 173.12 2ncm n TYR 67 N 4.59 0.00 -1.54 3.97 4.01 -0.89 -1.27 117.16 126.04 2ncm n TYR 67 Ca 0.02 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.50 2ncm n TYR 67 Cb 0.40 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.33 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 1.12 -4.79 7.72 5.15 -1.26 -3.48 115.26 119.73 2ncm n ASN 68 Ca 0.00 -0.76 -0.36 0.00 -0.60 0.00 0.00 54.58 52.87 2ncm n ASN 68 Cb 0.00 -1.32 -0.03 0.00 -0.53 0.00 0.00 39.78 37.90 2ncm n ASN 68 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ncm s ALA 69 N 10.44 3.00 0.02 5.20 0.00 -1.23 -4.82 121.76 134.36 2ncm s ALA 69 Ca 1.09 0.70 -0.05 0.00 0.00 0.00 0.00 51.96 53.69 2ncm s ALA 69 Cb -0.46 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.38 2ncm s ALA 69 CO 0.29 -0.30 0.08 -0.80 0.00 0.00 0.00 175.76 175.03 2ncm s ASN 70 N -1.68 0.14 0.61 0.00 0.01 -1.26 -3.12 114.94 109.64 2ncm s ASN 70 Ca 0.62 -0.42 0.28 0.00 -0.71 0.00 0.00 52.86 52.63 2ncm s ASN 70 Cb -0.21 0.19 1.43 0.00 0.41 0.00 0.00 41.25 43.07 2ncm s ASN 70 CO 0.26 -0.42 1.83 0.16 -1.51 0.00 0.00 177.10 177.42 2ncm h ILE 71 N 4.06 0.25 -0.28 0.60 3.07 -1.96 0.70 117.51 123.95 2ncm h ILE 71 Ca -0.32 0.00 -0.08 0.00 1.55 0.00 0.00 64.86 66.02 2ncm h ILE 71 Cb 1.19 0.56 -0.01 0.00 -0.27 0.00 0.00 36.82 38.30 2ncm h ILE 71 CO 0.45 0.00 -0.12 0.44 -1.05 0.00 0.00 178.15 177.87 2ncm h ASP 72 N 0.00 0.59 -0.21 2.16 5.19 -1.96 -3.05 116.42 119.14 2ncm h ASP 72 Ca 0.18 -0.40 -0.08 0.00 -0.62 0.00 0.00 57.03 56.11 2ncm h ASP 72 Cb 1.22 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 40.55 2ncm h ASP 72 CO -0.00 0.86 -0.11 0.44 -3.12 0.00 0.00 179.24 177.31 2ncm h ASP 73 N 0.31 0.58 -0.70 6.45 3.32 -1.28 -3.43 116.42 121.67 2ncm h ASP 73 Ca 0.06 -0.16 -0.53 0.00 0.02 0.00 0.00 57.03 56.43 2ncm h ASP 73 Cb 0.63 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.98 2ncm h ASP 73 CO 0.04 0.72 1.64 0.00 -1.72 0.00 0.00 179.24 179.92 2ncm n ALA 74 N -2.48 0.58 -3.73 3.45 0.00 -0.97 -4.83 120.51 112.53 2ncm n ALA 74 Ca 0.01 -0.43 0.01 0.00 0.00 0.00 0.00 53.44 53.02 2ncm n ALA 74 Cb 0.33 -2.61 -0.00 0.00 0.00 0.00 0.00 19.45 17.17 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 9.61 -0.29 -0.87 0.00 0.00 0.19 -4.87 107.32 111.09 2ncm s GLY 75 Ca 1.18 0.39 -0.25 0.00 0.00 0.00 0.00 44.72 46.05 2ncm s GLY 75 CO 0.43 1.33 1.53 -0.42 0.00 0.00 0.00 173.10 175.96 2ncm s ILE 76 N -2.45 3.72 1.28 0.90 1.01 -1.26 -1.89 121.20 122.52 2ncm s ILE 76 Ca 0.17 -0.25 -0.20 0.00 0.00 0.00 0.00 60.65 60.38 2ncm s ILE 76 Cb 0.02 -4.72 0.32 0.00 0.01 0.00 0.00 42.46 38.09 2ncm s ILE 76 CO -0.02 -1.64 1.03 -0.31 0.00 0.00 0.00 174.94 174.00 2ncm s TYR 77 N 6.50 0.18 0.04 3.97 1.51 -0.54 -3.54 117.35 125.48 2ncm s TYR 77 Ca 0.49 0.61 -0.00 0.00 -1.01 0.00 0.00 57.07 57.16 2ncm s TYR 77 Cb -0.05 -3.18 -0.03 0.00 -0.11 0.00 0.00 41.96 38.59 2ncm s TYR 77 CO 0.02 -4.30 -0.03 0.21 -1.11 0.00 0.00 175.55 170.34 2ncm s LYS 78 N -5.16 0.50 -0.26 -0.62 2.20 0.13 -2.06 119.74 114.46 2ncm s LYS 78 Ca 0.69 -0.95 -0.04 0.00 -0.36 0.00 0.00 55.97 55.31 2ncm s LYS 78 Cb -0.13 0.12 0.10 0.00 -1.51 0.00 0.00 37.83 36.41 2ncm s LYS 78 CO 0.58 -0.07 0.15 0.00 -0.36 0.00 0.00 175.35 175.65 2ncm s VAL 80 N 2.16 4.46 -0.02 0.00 1.01 -0.63 -0.28 120.40 127.10 2ncm s VAL 80 Ca 0.07 -0.22 0.07 0.00 0.00 0.00 0.00 61.98 61.90 2ncm s VAL 80 Cb -0.16 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.31 2ncm s VAL 80 CO -0.29 0.58 -0.22 -0.69 0.00 0.00 0.00 175.10 174.48 2ncm s VAL 81 N -0.93 1.76 0.06 2.92 1.01 -0.67 0.42 120.40 124.98 2ncm s VAL 81 Ca 0.14 -0.95 0.08 0.00 0.00 0.00 0.00 61.98 61.25 2ncm s VAL 81 Cb -0.11 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 2ncm s VAL 81 CO 0.03 0.50 -0.21 -0.89 0.00 0.00 0.00 175.10 174.53 2ncm s THR 82 N -0.47 1.74 0.37 3.92 2.01 -0.68 -0.84 115.64 121.69 2ncm s THR 82 Ca 0.07 -1.31 -0.03 0.00 0.31 0.00 0.00 61.69 60.74 2ncm s THR 82 Cb -0.09 -1.52 0.08 0.00 0.01 0.00 0.00 72.50 70.98 2ncm s THR 82 CO -0.00 0.16 0.51 0.00 -0.69 0.00 0.00 174.62 174.59 2ncm n ALA 83 N 1.65 -0.18 0.08 7.40 0.00 0.08 -1.72 120.51 127.82 2ncm n ALA 83 Ca -0.18 -0.86 -0.13 0.00 0.00 0.00 0.00 53.44 52.28 2ncm n ALA 83 Cb 0.53 0.08 -0.06 0.00 0.00 0.00 0.00 19.45 20.01 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 0.34 0.14 0.00 4.81 -1.87 -3.34 114.58 114.67 2ncm h GLU 84 Ca -0.17 -0.40 -0.34 0.00 -0.13 0.00 0.00 59.36 58.32 2ncm h GLU 84 Cb 0.55 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 2ncm h GLU 84 CO 0.15 1.10 -1.74 0.38 -0.73 0.00 0.00 179.01 178.18 2ncm h ASP 85 N 0.18 0.46 0.00 1.04 2.03 -1.98 -3.48 116.42 114.67 2ncm h ASP 85 Ca -0.08 -0.75 0.00 0.00 -0.73 0.00 0.00 57.03 55.46 2ncm h ASP 85 Cb 1.64 -0.15 0.00 0.00 -0.83 0.00 0.00 39.33 39.99 2ncm h ASP 85 CO 0.17 1.65 0.00 0.61 -1.03 0.00 0.00 179.24 180.63 2ncm n GLY 86 N 1.81 0.48 3.52 7.15 0.00 -1.25 -5.11 105.19 111.79 2ncm n GLY 86 Ca -0.23 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.34 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 0.19 -5.03 2.61 -1.04 -1.26 -4.43 114.28 105.32 2ncm n THR 87 Ca 0.00 -0.41 -0.32 0.00 -2.04 0.00 0.00 64.05 61.27 2ncm n THR 87 Cb 0.00 -2.14 -0.15 0.00 -1.82 0.00 0.00 70.33 66.22 2ncm n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ncm s GLN 88 N 6.74 2.81 -0.20 -2.82 -2.07 -1.26 -0.74 119.66 122.13 2ncm s GLN 88 Ca 1.06 -0.79 -0.02 0.00 -1.82 0.00 0.00 55.36 53.79 2ncm s GLN 88 Cb -0.56 -2.36 -0.00 0.00 -1.09 0.00 0.00 33.01 29.00 2ncm s GLN 88 CO 0.40 0.38 -0.10 0.45 -1.32 0.00 0.00 175.29 175.10 2ncm s SER 89 N -0.13 3.95 0.47 12.60 0.15 -0.02 -4.93 113.70 125.80 2ncm s SER 89 Ca -0.03 -0.45 0.05 0.00 0.70 0.00 0.00 55.95 56.22 2ncm s SER 89 Cb -0.14 -1.65 0.05 0.00 -1.71 0.00 0.00 66.02 62.57 2ncm s SER 89 CO 0.04 0.01 0.43 -1.84 1.20 0.00 0.00 173.24 173.08 2ncm n GLU 90 N 4.55 0.77 -4.02 5.44 0.28 -1.26 -1.67 120.64 124.74 2ncm n GLU 90 Ca -0.19 -2.82 -0.11 0.00 -0.16 0.00 0.00 57.16 53.88 2ncm n GLU 90 Cb 0.51 0.18 -0.04 0.00 1.43 0.00 0.00 31.44 33.52 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 -2.64 0.16 0.05 -1.84 0.00 0.61 -4.73 121.76 113.38 2ncm s ALA 91 Ca 0.32 -1.15 -0.16 0.00 0.00 0.00 0.00 51.96 50.97 2ncm s ALA 91 Cb -0.03 1.07 0.03 0.00 0.00 0.00 0.00 23.12 24.19 2ncm s ALA 91 CO 0.21 -0.84 0.36 0.95 0.00 0.00 0.00 175.76 176.44 2ncm s THR 92 N -3.42 0.07 -0.16 0.00 -4.23 -1.26 -1.99 115.64 104.66 2ncm s THR 92 Ca 0.25 -0.58 -0.04 0.00 -1.18 0.00 0.00 61.69 60.15 2ncm s THR 92 Cb -0.01 -0.98 0.07 0.00 1.34 0.00 0.00 72.50 72.92 2ncm s THR 92 CO 0.14 -0.32 0.21 0.54 -0.54 0.00 0.00 174.62 174.65 2ncm s VAL 93 N -2.70 -0.32 -0.80 2.29 0.11 -0.87 -4.64 120.40 113.47 2ncm s VAL 93 Ca -0.04 0.08 -0.25 0.00 -2.93 0.00 0.00 61.98 58.84 2ncm s VAL 93 Cb -0.00 -0.53 -0.03 0.00 -1.53 0.00 0.00 36.38 34.29 2ncm s VAL 93 CO -0.04 -0.05 1.84 0.21 -3.33 0.00 0.00 175.10 173.72 2ncm s ASN 94 N 2.33 5.36 -0.37 3.54 2.47 -0.54 -1.46 114.94 126.27 2ncm s ASN 94 Ca 0.05 -0.36 -0.16 0.00 0.42 0.00 0.00 52.86 52.80 2ncm s ASN 94 Cb -0.14 -2.55 -0.00 0.00 -1.45 0.00 0.00 41.25 37.11 2ncm s ASN 94 CO -0.10 -2.46 0.42 -0.69 -3.72 0.00 0.00 177.10 170.55 2ncm s VAL 95 N 9.06 5.11 0.21 -5.21 1.01 -0.79 -1.48 120.40 128.30 2ncm s VAL 95 Ca 0.65 0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.66 2ncm s VAL 95 Cb -0.08 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 2ncm s VAL 95 CO 0.07 -0.22 0.36 -0.75 0.00 0.00 0.00 175.10 174.56 2ncm s LYS 96 N 2.15 3.46 -0.06 2.72 2.20 -0.67 0.52 119.74 130.06 2ncm s LYS 96 Ca 0.13 -0.57 -0.09 0.00 -0.36 0.00 0.00 55.97 55.09 2ncm s LYS 96 Cb -0.16 -2.88 0.02 0.00 -1.51 0.00 0.00 37.83 33.30 2ncm s LYS 96 CO 0.13 0.42 0.23 0.42 -0.36 0.00 0.00 175.35 176.19 2ncm s ILE 97 N -1.91 0.03 -0.15 5.43 1.01 -1.26 -1.67 121.20 122.67 2ncm s ILE 97 Ca 0.36 -0.22 -0.09 0.00 0.00 0.00 0.00 60.65 60.70 2ncm s ILE 97 Cb -0.10 -0.40 0.05 0.00 0.01 0.00 0.00 42.46 42.02 2ncm s ILE 97 CO 0.30 -0.12 0.37 0.72 0.00 0.00 0.00 174.94 176.21 2ncm s PHE 98 N -0.41 -0.52 -2.76 3.97 -0.12 -0.71 -4.65 117.98 112.78 2ncm s PHE 98 Ca -0.05 1.15 0.26 0.00 -0.05 0.00 0.00 56.93 58.24 2ncm s PHE 98 Cb -0.03 0.21 0.61 0.00 -0.63 0.00 0.00 43.02 43.17 2ncm s PHE 98 CO 0.01 -0.30 1.50 0.00 -0.05 0.00 0.00 175.22 176.38