#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 1.85 -0.30 1.55 -7.23 -1.26 -5.08 120.40 109.93 2ncm s VAL 2 Ca 0.00 -0.84 -0.13 0.00 -1.81 0.00 0.00 61.98 59.20 2ncm s VAL 2 Cb 0.00 -1.71 0.16 0.00 0.56 0.00 0.00 36.38 35.40 2ncm s VAL 2 CO 0.00 0.48 0.94 -0.22 -0.31 0.00 0.00 175.10 175.98 2ncm s LEU 3 N 1.37 -0.67 -0.02 1.32 2.96 -1.25 -3.94 118.68 118.45 2ncm s LEU 3 Ca 0.04 0.82 0.01 0.00 -0.22 0.00 0.00 54.13 54.79 2ncm s LEU 3 Cb -0.13 1.72 0.01 0.00 0.50 0.00 0.00 46.19 48.29 2ncm s LEU 3 CO -0.12 -0.13 -0.04 -1.58 -1.32 0.00 0.00 176.35 173.16 2ncm s GLN 4 N 2.58 0.50 -0.04 1.98 0.74 0.18 -4.95 119.66 120.65 2ncm s GLN 4 Ca -0.01 -0.14 -0.05 0.00 0.05 0.00 0.00 55.36 55.21 2ncm s GLN 4 Cb -0.08 -0.51 0.01 0.00 1.10 0.00 0.00 33.01 33.53 2ncm s GLN 4 CO -0.17 0.04 0.13 0.08 -0.55 0.00 0.00 175.29 174.82 2ncm s VAL 5 N 0.25 0.02 0.12 1.34 1.01 -1.26 -1.73 120.40 120.15 2ncm s VAL 5 Ca -0.03 -0.20 -0.20 0.00 0.00 0.00 0.00 61.98 61.56 2ncm s VAL 5 Cb -0.06 -0.25 0.05 0.00 0.00 0.00 0.00 36.38 36.12 2ncm s VAL 5 CO -0.00 -0.11 0.50 -1.81 0.00 0.00 0.00 175.10 173.67 2ncm s ASP 6 N -0.32 -0.39 -0.02 3.32 1.01 -0.80 -4.78 116.67 114.69 2ncm s ASP 6 Ca -0.04 -0.10 0.04 0.00 0.71 0.00 0.00 52.55 53.17 2ncm s ASP 6 Cb -0.03 0.52 -0.01 0.00 1.01 0.00 0.00 42.92 44.41 2ncm s ASP 6 CO 0.00 -0.86 -0.15 -0.63 0.21 0.00 0.00 175.17 173.74 2ncm s ILE 7 N -3.48 1.21 -0.09 0.77 1.01 -1.26 -1.27 121.20 118.09 2ncm s ILE 7 Ca 0.00 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 60.04 2ncm s ILE 7 Cb 0.00 -1.02 0.01 0.00 0.01 0.00 0.00 42.46 41.46 2ncm s ILE 7 CO -0.10 0.35 -0.17 -0.69 0.00 0.00 0.00 174.94 174.33 2ncm s VAL 8 N -0.23 1.55 0.87 2.92 1.01 -0.59 -3.97 120.40 121.96 2ncm s VAL 8 Ca 0.03 -0.70 -0.13 0.00 0.00 0.00 0.00 61.98 61.18 2ncm s VAL 8 Cb -0.07 -1.39 0.14 0.00 0.00 0.00 0.00 36.38 35.06 2ncm s VAL 8 CO 0.00 0.45 1.24 -2.16 0.00 0.00 0.00 175.10 174.63 2ncm s PRO 9 N 0.70 1.36 0.04 2.72 0.04 -1.26 -1.59 135.00 137.01 2ncm s PRO 9 Ca -0.13 -0.16 -0.21 0.00 0.04 0.00 0.00 61.00 60.55 2ncm s PRO 9 Cb -0.16 -1.92 -0.15 0.00 0.04 0.00 0.00 34.50 32.32 2ncm s PRO 9 CO 0.03 -1.96 1.34 0.66 0.04 0.00 0.00 177.00 177.11 2ncm h SER 10 N -1.30 0.36 -3.25 6.66 4.64 -1.93 -3.41 113.55 115.30 2ncm h SER 10 Ca -0.45 -0.47 -0.58 0.00 -0.47 0.00 0.00 61.79 59.81 2ncm h SER 10 Cb 1.28 -0.10 -0.40 0.00 -0.31 0.00 0.00 62.40 62.88 2ncm h SER 10 CO 0.53 0.76 -0.76 0.00 -0.87 0.00 0.00 176.83 176.49 2ncm s GLN 11 N -4.32 0.85 -0.54 4.77 -2.07 -1.26 -1.49 119.66 115.60 2ncm s GLN 11 Ca -0.14 -1.06 -0.17 0.00 -1.82 0.00 0.00 55.36 52.16 2ncm s GLN 11 Cb 0.05 -2.16 0.10 0.00 -1.09 0.00 0.00 33.01 29.92 2ncm s GLN 11 CO 0.75 -0.91 0.57 0.20 -1.32 0.00 0.00 175.29 174.57 2ncm s GLY 12 N 1.56 1.93 -0.25 2.60 0.00 -0.25 -4.99 107.32 107.94 2ncm s GLY 12 Ca 0.07 -2.25 -0.24 0.00 0.00 0.00 0.00 44.72 42.31 2ncm s GLY 12 CO -0.20 1.34 0.79 -0.54 0.00 0.00 0.00 173.10 174.49 2ncm s GLU 13 N 2.11 4.17 0.20 2.90 8.01 -1.26 -1.98 118.70 132.84 2ncm s GLU 13 Ca 0.08 0.86 0.01 0.00 0.01 0.00 0.00 54.97 55.93 2ncm s GLU 13 Cb -0.26 -3.65 -0.05 0.00 -4.31 0.00 0.00 34.13 25.87 2ncm s GLU 13 CO 0.06 -0.50 0.04 0.42 0.01 0.00 0.00 175.26 175.29 2ncm s ILE 14 N 2.78 0.54 0.30 -1.63 1.09 -0.75 -4.96 121.20 118.56 2ncm s ILE 14 Ca 0.33 -1.98 0.10 0.00 -1.10 0.00 0.00 60.65 58.00 2ncm s ILE 14 Cb -0.15 -2.30 -0.05 0.00 -1.06 0.00 0.00 42.46 38.90 2ncm s ILE 14 CO 0.08 -0.30 -0.07 -0.44 -0.10 0.00 0.00 174.94 174.11 2ncm s SER 15 N -3.20 4.10 0.29 3.58 0.01 -1.26 -1.88 113.70 115.34 2ncm s SER 15 Ca 0.29 -0.89 -0.29 0.00 1.31 0.00 0.00 55.95 56.37 2ncm s SER 15 Cb 0.07 -0.56 -0.10 0.00 0.21 0.00 0.00 66.02 65.64 2ncm s SER 15 CO 0.07 -0.06 1.39 -0.69 0.41 0.00 0.00 173.24 174.36 2ncm s VAL 16 N -2.45 2.62 0.00 3.43 1.01 -0.84 -2.25 120.40 121.92 2ncm s VAL 16 Ca 0.32 0.56 0.00 0.00 0.00 0.00 0.00 61.98 62.86 2ncm s VAL 16 Cb -0.04 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 32.98 2ncm s VAL 16 CO 0.18 0.11 0.00 0.61 0.00 0.00 0.00 175.10 176.00 2ncm n GLY 17 N 1.49 2.97 3.50 4.51 0.00 -1.21 -4.95 105.19 111.49 2ncm n GLY 17 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.89 2.18 0.91 1.61 -1.05 -0.95 -4.81 118.70 115.70 2ncm s GLU 18 Ca 0.00 -0.92 -0.14 0.00 -0.15 0.00 0.00 54.97 53.75 2ncm s GLU 18 Cb 0.00 -2.27 0.15 0.00 -0.44 0.00 0.00 34.13 31.57 2ncm s GLU 18 CO 0.00 0.55 1.24 -1.54 0.95 0.00 0.00 175.26 176.46 2ncm s SER 19 N -1.48 3.60 -0.30 0.83 1.04 -1.23 -3.69 113.70 112.47 2ncm s SER 19 Ca 0.16 0.56 -0.13 0.00 0.48 0.00 0.00 55.95 57.02 2ncm s SER 19 Cb -0.11 -0.84 0.16 0.00 0.10 0.00 0.00 66.02 65.33 2ncm s SER 19 CO 0.06 -2.45 0.88 -1.59 0.98 0.00 0.00 173.24 171.12 2ncm s LYS 20 N -5.68 0.38 0.06 4.02 -2.85 -0.43 -4.93 119.74 110.31 2ncm s LYS 20 Ca 0.68 0.93 0.07 0.00 -1.00 0.00 0.00 55.97 56.66 2ncm s LYS 20 Cb -0.08 0.56 -0.03 0.00 -2.06 0.00 0.00 37.83 36.21 2ncm s LYS 20 CO 0.52 -0.16 -0.17 -0.59 0.10 0.00 0.00 175.35 175.04 2ncm s PHE 21 N 2.63 2.57 -0.23 1.78 -0.12 -1.26 -1.22 117.98 122.13 2ncm s PHE 21 Ca -0.02 -0.24 0.02 0.00 -0.05 0.00 0.00 56.93 56.63 2ncm s PHE 21 Cb -0.08 -1.44 0.05 0.00 -0.63 0.00 0.00 43.02 40.92 2ncm s PHE 21 CO -0.18 0.30 -0.12 -0.06 -0.05 0.00 0.00 175.22 175.11 2ncm s PHE 22 N -1.00 2.91 -0.44 3.49 0.40 -0.83 -4.75 117.98 117.76 2ncm s PHE 22 Ca 0.16 -1.99 -0.29 0.00 -0.60 0.00 0.00 56.93 54.21 2ncm s PHE 22 Cb -0.11 -1.83 0.02 0.00 0.51 0.00 0.00 43.02 41.62 2ncm s PHE 22 CO 0.07 -0.83 1.17 -1.17 0.70 0.00 0.00 175.22 175.17 2ncm s LEU 23 N 1.23 3.68 -0.43 -0.37 2.96 -0.62 -1.72 118.68 123.40 2ncm s LEU 23 Ca -0.04 0.64 -0.20 0.00 -0.22 0.00 0.00 54.13 54.30 2ncm s LEU 23 Cb -0.18 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 42.99 2ncm s LEU 23 CO -0.07 -1.22 0.60 0.00 -1.32 0.00 0.00 176.35 174.34 2ncm s GLN 25 N 2.68 3.07 0.22 0.00 -0.21 -0.40 -1.93 119.66 123.10 2ncm s GLN 25 Ca 0.20 -0.65 -0.02 0.00 0.02 0.00 0.00 55.36 54.91 2ncm s GLN 25 Cb -0.15 -2.64 -0.03 0.00 1.00 0.00 0.00 33.01 31.19 2ncm s GLN 25 CO 0.18 -0.17 0.20 0.14 -2.12 0.00 0.00 175.29 173.51 2ncm s VAL 26 N -2.44 0.00 -0.29 1.09 -7.23 -1.26 -1.90 120.40 108.37 2ncm s VAL 26 Ca 0.47 -1.90 -0.14 0.00 -1.81 0.00 0.00 61.98 58.61 2ncm s VAL 26 Cb -0.10 -2.46 0.11 0.00 0.56 0.00 0.00 36.38 34.50 2ncm s VAL 26 CO 0.36 0.00 0.73 0.00 -0.31 0.00 0.00 175.10 175.88 2ncm s ALA 27 N -4.08 -2.06 0.00 1.32 0.00 -0.70 -4.94 121.76 111.29 2ncm s ALA 27 Ca 0.36 2.34 0.00 0.00 0.00 0.00 0.00 51.96 54.66 2ncm s ALA 27 Cb 0.05 -1.65 0.00 0.00 0.00 0.00 0.00 23.12 21.52 2ncm s ALA 27 CO 0.12 -0.65 0.00 0.41 0.00 0.00 0.00 175.76 175.65 2ncm n GLY 28 N 4.76 4.31 2.37 0.00 0.00 -1.26 0.47 105.19 115.84 2ncm n GLY 28 Ca -0.16 -1.08 -0.32 0.00 0.00 0.00 0.00 46.02 44.46 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 6.71 -0.34 1.61 2.03 -1.26 -4.67 116.55 120.63 2ncm n ASP 29 Ca 0.00 -3.78 0.08 0.00 0.52 0.00 0.00 54.79 51.61 2ncm n ASP 29 Cb 0.00 -0.79 0.36 0.00 -0.72 0.00 0.00 41.12 39.97 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 -0.76 2.53 -0.90 -1.67 0.00 -1.25 -4.96 120.51 113.51 2ncm n ALA 30 Ca 0.54 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2ncm n ALA 30 Cb 0.66 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.98 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 -0.07 0.00 -0.57 0.00 4.01 -1.26 -4.03 118.16 116.24 2ncm n LYS 31 Ca 0.13 0.00 0.44 0.00 -0.51 0.00 0.00 58.31 58.37 2ncm n LYS 31 Cb 0.21 0.00 0.69 0.00 -0.51 0.00 0.00 35.03 35.42 2ncm n LYS 31 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 2ncm n ASP 32 N 1.94 0.05 0.00 4.39 2.03 -1.26 -4.74 116.55 118.96 2ncm n ASP 32 Ca 0.00 0.98 0.00 0.00 0.52 0.00 0.00 54.79 56.29 2ncm n ASP 32 Cb 0.00 -0.48 0.00 0.00 -0.72 0.00 0.00 41.12 39.92 2ncm n ASP 32 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2ncm n LYS 33 N -3.91 0.00 -3.28 -0.67 5.02 -0.76 -4.81 118.16 109.75 2ncm n LYS 33 Ca 0.38 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 56.25 2ncm n LYS 33 Cb 1.67 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 36.59 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 0.00 6.23 0.65 4.39 1.01 -0.74 -4.77 116.67 123.44 2ncm s ASP 34 Ca 0.00 -0.44 -0.15 0.00 0.71 0.00 0.00 52.55 52.67 2ncm s ASP 34 Cb 0.00 -2.24 -0.00 0.00 1.01 0.00 0.00 42.92 41.68 2ncm s ASP 34 CO 0.00 -0.56 1.10 -0.63 0.21 0.00 0.00 175.17 175.29 2ncm s ILE 35 N 2.27 3.34 0.09 0.77 -1.09 -1.25 -1.98 121.20 123.36 2ncm s ILE 35 Ca 0.15 0.62 -0.19 0.00 -2.23 0.00 0.00 60.65 59.00 2ncm s ILE 35 Cb -0.16 -3.14 0.04 0.00 -1.58 0.00 0.00 42.46 37.62 2ncm s ILE 35 CO 0.14 -0.39 0.46 -0.44 -1.23 0.00 0.00 174.94 173.48 2ncm s SER 36 N -2.65 -0.34 -0.08 3.58 0.01 0.97 -4.93 113.70 110.26 2ncm s SER 36 Ca 0.66 -0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.83 2ncm s SER 36 Cb -0.20 0.49 0.02 0.00 0.21 0.00 0.00 66.02 66.54 2ncm s SER 36 CO 0.41 -0.80 -0.06 0.26 0.41 0.00 0.00 173.24 173.47 2ncm s TRP 37 N -3.20 1.13 -0.26 2.43 0.52 -1.26 -1.75 118.94 116.56 2ncm s TRP 37 Ca -0.01 -0.46 -0.00 0.00 0.02 0.00 0.00 56.10 55.65 2ncm s TRP 37 Cb 0.00 -0.99 0.04 0.00 -1.15 0.00 0.00 33.47 31.38 2ncm s TRP 37 CO -0.08 -0.36 -0.07 -0.06 0.02 0.00 0.00 176.95 176.40 2ncm s PHE 38 N 1.43 3.13 0.68 -1.98 0.40 -0.84 -1.81 117.98 118.99 2ncm s PHE 38 Ca -0.02 -1.83 -0.16 0.00 -0.60 0.00 0.00 56.93 54.32 2ncm s PHE 38 Cb -0.13 -2.02 0.01 0.00 0.51 0.00 0.00 43.02 41.39 2ncm s PHE 38 CO -0.04 -0.79 1.22 -1.54 0.70 0.00 0.00 175.22 174.77 2ncm s SER 39 N 1.25 4.50 0.00 1.36 1.04 0.21 -0.77 113.70 121.29 2ncm s SER 39 Ca -0.03 2.41 0.00 0.00 0.48 0.00 0.00 55.95 58.81 2ncm s SER 39 Cb -0.18 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.35 2ncm s SER 39 CO -0.05 -2.06 0.91 -0.81 0.98 0.00 0.00 173.24 172.21 2ncm n PRO 40 N -2.32 0.00 0.00 4.02 -0.04 -1.25 -1.77 135.00 133.63 2ncm n PRO 40 Ca 0.14 0.42 0.12 0.00 -0.04 0.00 0.00 63.50 64.13 2ncm n PRO 40 Cb 0.50 -1.54 0.59 0.00 -0.04 0.00 0.00 33.50 33.00 2ncm n PRO 40 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2ncm n ASN 41 N -1.41 0.00 -0.09 3.54 5.15 -1.26 -4.86 115.26 116.32 2ncm n ASN 41 Ca 0.00 0.02 0.00 0.00 -0.60 0.00 0.00 54.58 54.00 2ncm n ASN 41 Cb 0.04 -0.31 0.00 0.00 -0.53 0.00 0.00 39.78 38.98 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 0.77 0.94 3.86 8.20 0.00 -0.73 -5.11 105.19 113.13 2ncm n GLY 42 Ca 0.11 -0.11 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.71 1.44 -0.17 1.61 -1.05 -1.12 -5.03 118.70 113.67 2ncm s GLU 43 Ca 0.00 -0.92 -0.19 0.00 -0.15 0.00 0.00 54.97 53.72 2ncm s GLU 43 Cb 0.00 0.41 -0.03 0.00 -0.44 0.00 0.00 34.13 34.06 2ncm s GLU 43 CO 0.00 -0.67 0.52 0.21 0.95 0.00 0.00 175.26 176.27 2ncm s LYS 44 N -2.27 4.24 0.07 -4.83 2.20 -1.26 0.64 119.74 118.52 2ncm s LYS 44 Ca 0.20 0.45 -0.26 0.00 -0.36 0.00 0.00 55.97 56.01 2ncm s LYS 44 Cb -0.03 -3.53 -0.06 0.00 -1.51 0.00 0.00 37.83 32.71 2ncm s LYS 44 CO 0.06 -0.07 0.80 -0.48 -0.36 0.00 0.00 175.35 175.29 2ncm s LEU 45 N 1.37 4.47 0.66 5.43 0.05 -0.75 -4.83 118.68 125.08 2ncm s LEU 45 Ca 0.25 1.52 -0.15 0.00 0.05 0.00 0.00 54.13 55.80 2ncm s LEU 45 Cb -0.15 -3.29 -0.00 0.00 -2.05 0.00 0.00 46.19 40.70 2ncm s LEU 45 CO 0.10 0.02 1.11 -0.44 -0.55 0.00 0.00 176.35 176.60 2ncm s SER 46 N -0.17 5.11 0.22 1.48 0.01 -1.26 -4.82 113.70 114.27 2ncm s SER 46 Ca 0.39 2.00 0.08 0.00 1.31 0.00 0.00 55.95 59.74 2ncm s SER 46 Cb -0.21 -2.55 0.17 0.00 0.21 0.00 0.00 66.02 63.63 2ncm s SER 46 CO 0.24 -1.63 1.50 1.55 0.41 0.00 0.00 173.24 175.31 2ncm h PRO 47 N 0.03 0.04 -2.04 12.44 0.13 -1.92 -3.34 132.00 137.34 2ncm h PRO 47 Ca -0.47 -0.04 -0.62 0.00 -0.87 0.00 0.00 66.00 64.00 2ncm h PRO 47 Cb 1.25 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 31.99 2ncm h PRO 47 CO 0.54 0.76 -0.43 0.09 -0.23 0.00 0.00 178.00 178.73 2ncm n ASN 48 N -3.68 4.97 0.00 1.44 3.02 -1.26 -3.36 115.26 116.39 2ncm n ASN 48 Ca -0.01 -3.71 0.00 0.00 -0.03 0.00 0.00 54.58 50.83 2ncm n ASN 48 Cb 0.72 -0.61 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 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 -0.32 0.00 0.00 3.52 6.02 -1.25 -5.06 117.38 120.29 2ncm n GLN 49 Ca 0.36 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.35 2ncm n GLN 49 Cb 0.45 -0.58 0.00 0.00 1.02 0.00 0.00 30.24 31.13 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 -0.48 0.00 -0.10 -1.09 6.02 -1.26 -4.98 117.38 115.49 2ncm n GLN 50 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.90 2ncm n GLN 50 Cb 0.00 0.00 -0.16 0.00 1.02 0.00 0.00 30.24 31.10 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 -2.10 0.69 -2.96 -1.09 1.74 -1.26 -4.86 116.66 106.82 2ncm n ARG 51 Ca 0.00 -0.01 -0.43 0.00 -0.77 0.00 0.00 57.85 56.64 2ncm n ARG 51 Cb 0.00 -1.53 -0.05 0.00 -1.02 0.00 0.00 32.46 29.86 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 -2.52 4.58 -0.19 0.55 1.01 -1.26 -1.96 121.20 121.41 2ncm s ILE 52 Ca -0.10 0.01 -0.03 0.00 0.00 0.00 0.00 60.65 60.53 2ncm s ILE 52 Cb 0.06 -4.43 -0.01 0.00 0.01 0.00 0.00 42.46 38.09 2ncm s ILE 52 CO 0.83 -0.97 -0.06 -0.55 0.00 0.00 0.00 174.94 174.19 2ncm s SER 53 N 2.73 4.32 0.28 3.58 0.15 -0.19 -4.01 113.70 120.56 2ncm s SER 53 Ca 0.25 -0.34 -0.00 0.00 0.70 0.00 0.00 55.95 56.55 2ncm s SER 53 Cb -0.15 -1.72 -0.04 0.00 -1.71 0.00 0.00 66.02 62.40 2ncm s SER 53 CO 0.17 0.04 0.47 -0.69 1.20 0.00 0.00 173.24 174.44 2ncm s VAL 54 N 1.10 5.14 -0.12 4.45 1.01 -1.21 -1.60 120.40 129.17 2ncm s VAL 54 Ca 0.01 -0.41 -0.17 0.00 0.00 0.00 0.00 61.98 61.41 2ncm s VAL 54 Cb -0.15 -3.80 0.04 0.00 0.00 0.00 0.00 36.38 32.48 2ncm s VAL 54 CO -0.01 -0.37 0.45 0.54 0.00 0.00 0.00 175.10 175.72 2ncm s VAL 55 N -2.09 0.01 -0.24 2.92 0.11 -0.76 -4.95 120.40 115.40 2ncm s VAL 55 Ca 0.39 -0.11 -0.01 0.00 -2.93 0.00 0.00 61.98 59.33 2ncm s VAL 55 Cb -0.10 -0.68 0.03 0.00 -1.53 0.00 0.00 36.38 34.10 2ncm s VAL 55 CO 0.32 -0.06 -0.08 0.26 -3.33 0.00 0.00 175.10 172.21 2ncm s TRP 56 N -0.27 3.06 0.00 1.54 0.51 -1.26 -1.29 118.94 121.23 2ncm s TRP 56 Ca -0.04 -1.67 0.00 0.00 -2.12 0.00 0.00 56.10 52.26 2ncm s TRP 56 Cb -0.03 -2.03 0.00 0.00 -0.81 0.00 0.00 33.47 30.60 2ncm s TRP 56 CO 0.02 -0.76 0.00 0.27 -0.51 0.00 0.00 176.95 175.97 2ncm n ASN 57 N 4.63 0.00 -3.11 2.95 0.23 -0.82 -5.02 115.26 114.12 2ncm n ASN 57 Ca -0.17 0.00 -0.08 0.00 -0.53 0.00 0.00 54.58 53.80 2ncm n ASN 57 Cb 0.47 -0.05 0.08 0.00 -2.08 0.00 0.00 39.78 38.19 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 -1.64 -2.34 -0.31 0.53 2.03 -1.24 -4.82 116.55 108.75 2ncm n ASP 58 Ca 0.00 -0.24 0.13 0.00 0.52 0.00 0.00 54.79 55.20 2ncm n ASP 58 Cb 0.00 -0.31 0.31 0.00 -0.72 0.00 0.00 41.12 40.40 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 -2.32 0.44 0.00 1.67 5.19 -2.02 -3.31 116.42 116.07 2ncm h ASP 59 Ca -0.11 0.14 -0.12 0.00 -0.62 0.00 0.00 57.03 56.32 2ncm h ASP 59 Cb 0.37 0.09 -0.15 0.00 0.18 0.00 0.00 39.33 39.81 2ncm h ASP 59 CO 0.07 0.07 -0.37 0.47 -3.12 0.00 0.00 179.24 176.35 2ncm n ASP 60 N -4.98 -0.57 -4.88 6.45 8.00 -1.26 -5.11 116.55 114.20 2ncm n ASP 60 Ca 0.22 -1.89 -0.36 0.00 0.71 0.00 0.00 54.79 53.47 2ncm n ASP 60 Cb 0.63 0.17 -0.06 0.00 -0.02 0.00 0.00 41.12 41.84 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 -1.03 6.40 -0.12 -2.24 0.15 -1.25 -4.63 113.70 110.99 2ncm s SER 61 Ca 0.05 0.46 -0.07 0.00 0.70 0.00 0.00 55.95 57.09 2ncm s SER 61 Cb 0.06 -2.06 0.04 0.00 -1.71 0.00 0.00 66.02 62.35 2ncm s SER 61 CO -0.03 0.37 0.28 -0.44 1.20 0.00 0.00 173.24 174.63 2ncm s SER 62 N -1.23 -0.31 -0.02 5.45 0.01 -0.81 -1.94 113.70 114.85 2ncm s SER 62 Ca 0.18 0.59 -0.06 0.00 1.31 0.00 0.00 55.95 57.97 2ncm s SER 62 Cb -0.12 0.51 -0.04 0.00 0.21 0.00 0.00 66.02 66.57 2ncm s SER 62 CO 0.07 -0.15 0.23 -0.89 0.41 0.00 0.00 173.24 172.91 2ncm s THR 63 N 1.01 5.36 -0.66 1.44 2.01 -0.41 -1.70 115.64 122.69 2ncm s THR 63 Ca -0.07 0.14 -0.09 0.00 0.31 0.00 0.00 61.69 61.98 2ncm s THR 63 Cb -0.08 -3.53 0.17 0.00 0.01 0.00 0.00 72.50 69.07 2ncm s THR 63 CO -0.07 0.42 0.54 -0.22 -0.69 0.00 0.00 174.62 174.61 2ncm s LEU 64 N -1.60 5.94 0.09 4.42 0.20 -0.70 -1.83 118.68 125.19 2ncm s LEU 64 Ca 0.25 -2.55 -0.25 0.00 0.69 0.00 0.00 54.13 52.27 2ncm s LEU 64 Cb -0.13 -2.03 -0.06 0.00 -0.43 0.00 0.00 46.19 43.53 2ncm s LEU 64 CO 0.14 -0.53 0.76 -0.89 -0.29 0.00 0.00 176.35 175.54 2ncm s THR 65 N 0.39 4.59 -0.38 3.68 2.01 -0.62 -1.96 115.64 123.35 2ncm s THR 65 Ca 0.14 1.64 0.01 0.00 0.31 0.00 0.00 61.69 63.79 2ncm s THR 65 Cb -0.18 -4.12 0.13 0.00 0.01 0.00 0.00 72.50 68.35 2ncm s THR 65 CO -0.05 0.43 0.21 -0.63 -0.69 0.00 0.00 174.62 173.90 2ncm s ILE 66 N -0.51 0.74 0.00 1.82 1.01 -0.36 -1.02 121.20 122.88 2ncm s ILE 66 Ca 0.37 -2.02 0.00 0.00 0.00 0.00 0.00 60.65 59.00 2ncm s ILE 66 Cb -0.21 -1.53 0.00 0.00 0.01 0.00 0.00 42.46 40.72 2ncm s ILE 66 CO 0.24 -0.92 0.00 -1.22 0.00 0.00 0.00 174.94 173.04 2ncm n TYR 67 N 3.92 0.00 -1.54 3.97 4.01 -0.83 -1.32 117.16 125.38 2ncm n TYR 67 Ca 0.09 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.55 2ncm n TYR 67 Cb 0.36 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.30 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 1.24 -4.74 7.72 4.05 -1.26 -3.55 115.26 118.72 2ncm n ASN 68 Ca 0.00 -0.71 -0.41 0.00 0.45 0.00 0.00 54.58 53.91 2ncm n ASN 68 Cb 0.00 -1.34 -0.04 0.00 1.23 0.00 0.00 39.78 39.63 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 10.72 3.37 0.08 5.20 0.00 -1.24 -4.89 121.76 135.00 2ncm s ALA 69 Ca 1.08 0.82 0.04 0.00 0.00 0.00 0.00 51.96 53.89 2ncm s ALA 69 Cb -0.45 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.30 2ncm s ALA 69 CO 0.29 -0.18 -0.11 -0.80 0.00 0.00 0.00 175.76 174.96 2ncm s ASN 70 N -0.29 1.41 0.60 0.00 0.01 -1.26 -3.32 114.94 112.09 2ncm s ASN 70 Ca 0.48 -0.70 0.28 0.00 -0.71 0.00 0.00 52.86 52.22 2ncm s ASN 70 Cb -0.30 -0.00 1.45 0.00 0.41 0.00 0.00 41.25 42.81 2ncm s ASN 70 CO 0.36 -0.19 1.86 0.16 -1.51 0.00 0.00 177.10 177.78 2ncm h ILE 71 N 3.97 0.30 -0.26 0.60 3.07 -1.96 0.53 117.51 123.76 2ncm h ILE 71 Ca -0.38 0.00 -0.08 0.00 1.55 0.00 0.00 64.86 65.95 2ncm h ILE 71 Cb 1.19 0.59 -0.01 0.00 -0.27 0.00 0.00 36.82 38.32 2ncm h ILE 71 CO 0.46 0.00 -0.13 0.44 -1.05 0.00 0.00 178.15 177.87 2ncm h ASP 72 N 0.00 0.57 -0.27 2.16 3.32 -1.96 -3.07 116.42 117.17 2ncm h ASP 72 Ca 0.20 -0.41 -0.07 0.00 0.02 0.00 0.00 57.03 56.77 2ncm h ASP 72 Cb 1.21 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.59 2ncm h ASP 72 CO -0.00 0.85 -0.04 0.44 -1.72 0.00 0.00 179.24 178.77 2ncm h ASP 73 N 0.28 0.59 -1.55 6.45 5.19 -1.32 -3.44 116.42 122.64 2ncm h ASP 73 Ca 0.06 -0.14 -0.70 0.00 -0.62 0.00 0.00 57.03 55.63 2ncm h ASP 73 Cb 0.64 -0.16 0.01 0.00 0.18 0.00 0.00 39.33 40.00 2ncm h ASP 73 CO 0.04 0.69 1.03 0.00 -3.12 0.00 0.00 179.24 177.88 2ncm n ALA 74 N -2.48 0.24 0.00 3.45 0.00 -0.97 -4.82 120.51 115.93 2ncm n ALA 74 Ca 0.02 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.75 2ncm n ALA 74 Cb 0.29 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.41 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 4.68 -0.23 3.53 0.00 0.00 0.60 -4.91 105.19 108.86 2ncm n GLY 75 Ca 0.29 -1.11 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 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 3.97 0.93 -0.61 1.01 -1.26 -1.76 121.20 121.48 2ncm s ILE 76 Ca 0.00 0.34 -0.13 0.00 0.00 0.00 0.00 60.65 60.86 2ncm s ILE 76 Cb 0.00 -4.80 0.15 0.00 0.01 0.00 0.00 42.46 37.83 2ncm s ILE 76 CO 0.00 -1.60 1.15 -0.31 0.00 0.00 0.00 174.94 174.18 2ncm s TYR 77 N 5.06 2.31 0.11 3.97 1.51 -0.73 -3.79 117.35 125.79 2ncm s TYR 77 Ca 0.33 0.77 0.04 0.00 -1.01 0.00 0.00 57.07 57.21 2ncm s TYR 77 Cb -0.10 -3.47 -0.04 0.00 -0.11 0.00 0.00 41.96 38.25 2ncm s TYR 77 CO 0.17 -2.47 -0.10 0.21 -1.11 0.00 0.00 175.55 172.25 2ncm s LYS 78 N -5.36 0.89 -0.22 -0.62 2.20 0.05 -1.92 119.74 114.76 2ncm s LYS 78 Ca 0.65 -1.23 -0.04 0.00 -0.36 0.00 0.00 55.97 54.99 2ncm s LYS 78 Cb -0.13 -0.54 0.08 0.00 -1.51 0.00 0.00 37.83 35.73 2ncm s LYS 78 CO 0.53 0.08 0.12 0.00 -0.36 0.00 0.00 175.35 175.72 2ncm s VAL 80 N 2.15 3.94 -0.06 0.00 1.01 -0.72 -0.81 120.40 125.91 2ncm s VAL 80 Ca 0.05 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.36 2ncm s VAL 80 Cb -0.16 -2.74 0.01 0.00 0.00 0.00 0.00 36.38 33.49 2ncm s VAL 80 CO -0.21 0.37 -0.11 0.54 0.00 0.00 0.00 175.10 175.68 2ncm s VAL 81 N -1.06 1.07 0.07 2.92 0.11 -0.72 -0.02 120.40 122.76 2ncm s VAL 81 Ca 0.19 -0.45 0.05 0.00 -2.93 0.00 0.00 61.98 58.84 2ncm s VAL 81 Cb -0.11 -0.98 -0.04 0.00 -1.53 0.00 0.00 36.38 33.72 2ncm s VAL 81 CO 0.09 0.34 -0.04 -0.89 -3.33 0.00 0.00 175.10 171.27 2ncm s THR 82 N 0.63 3.79 0.66 5.04 2.01 -0.84 -1.57 115.64 125.36 2ncm s THR 82 Ca -0.13 -0.97 0.01 0.00 0.31 0.00 0.00 61.69 60.90 2ncm s THR 82 Cb -0.15 -2.75 0.13 0.00 0.01 0.00 0.00 72.50 69.74 2ncm s THR 82 CO 0.03 0.20 0.90 0.00 -0.69 0.00 0.00 174.62 175.06 2ncm n ALA 83 N 0.90 0.28 0.03 7.40 0.00 0.20 -1.80 120.51 127.51 2ncm n ALA 83 Ca -0.13 -1.81 -0.15 0.00 0.00 0.00 0.00 53.44 51.35 2ncm n ALA 83 Cb 0.52 0.32 -0.04 0.00 0.00 0.00 0.00 19.45 20.25 2ncm n ALA 83 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2ncm h GLU 84 N 0.00 0.59 0.03 0.00 4.11 -1.87 -3.27 114.58 114.16 2ncm h GLU 84 Ca -0.30 -0.54 -0.24 0.00 0.07 0.00 0.00 59.36 58.36 2ncm h GLU 84 Cb 1.13 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 2ncm h GLU 84 CO 0.33 1.16 -1.16 0.38 0.07 0.00 0.00 179.01 179.79 2ncm h ASP 85 N 0.38 0.09 0.00 3.06 2.03 -1.96 -3.48 116.42 116.54 2ncm h ASP 85 Ca -0.06 -0.10 0.00 0.00 -0.73 0.00 0.00 57.03 56.14 2ncm h ASP 85 Cb 1.46 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 39.93 2ncm h ASP 85 CO 0.16 1.08 0.00 0.61 -1.03 0.00 0.00 179.24 180.06 2ncm n GLY 86 N 1.42 0.79 3.58 7.15 0.00 -1.23 -5.11 105.19 111.80 2ncm n GLY 86 Ca -0.04 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.54 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 0.33 -5.21 2.61 -1.04 -1.26 -4.48 114.28 105.22 2ncm n THR 87 Ca 0.00 -0.44 -0.31 0.00 -2.04 0.00 0.00 64.05 61.26 2ncm n THR 87 Cb 0.00 -2.47 -0.17 0.00 -1.82 0.00 0.00 70.33 65.87 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 6.36 2.56 -0.07 -2.82 1.03 -1.26 -0.63 119.66 124.84 2ncm s GLN 88 Ca 1.02 -0.87 0.05 0.00 0.04 0.00 0.00 55.36 55.60 2ncm s GLN 88 Cb -0.39 -2.12 -0.00 0.00 0.03 0.00 0.00 33.01 30.52 2ncm s GLN 88 CO 0.37 0.33 -0.22 0.45 -2.54 0.00 0.00 175.29 173.67 2ncm s SER 89 N -0.04 2.77 0.46 12.60 0.15 -0.61 -4.95 113.70 124.09 2ncm s SER 89 Ca -0.07 -0.47 0.01 0.00 0.70 0.00 0.00 55.95 56.12 2ncm s SER 89 Cb -0.14 -0.92 0.01 0.00 -1.71 0.00 0.00 66.02 63.25 2ncm s SER 89 CO 0.05 0.19 0.10 -1.84 1.20 0.00 0.00 173.24 172.93 2ncm n GLU 90 N 3.19 0.87 -4.02 5.44 0.28 -1.26 -1.75 120.64 123.38 2ncm n GLU 90 Ca -0.18 -3.24 -0.11 0.00 -0.16 0.00 0.00 57.16 53.46 2ncm n GLU 90 Cb 0.52 0.73 -0.04 0.00 1.43 0.00 0.00 31.44 34.08 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 -2.76 0.16 0.05 -1.84 0.00 0.01 -4.84 121.76 112.53 2ncm s ALA 91 Ca 0.07 -1.14 -0.06 0.00 0.00 0.00 0.00 51.96 50.83 2ncm s ALA 91 Cb -0.01 1.08 -0.01 0.00 0.00 0.00 0.00 23.12 24.18 2ncm s ALA 91 CO 0.05 -0.83 0.12 0.95 0.00 0.00 0.00 175.76 176.05 2ncm s THR 92 N -3.50 0.14 -0.10 0.00 -4.23 -1.26 -1.89 115.64 104.79 2ncm s THR 92 Ca 0.26 -1.11 -0.03 0.00 -1.18 0.00 0.00 61.69 59.62 2ncm s THR 92 Cb -0.01 -1.00 0.05 0.00 1.34 0.00 0.00 72.50 72.88 2ncm s THR 92 CO 0.14 -0.61 0.10 0.54 -0.54 0.00 0.00 174.62 174.24 2ncm s VAL 93 N -2.87 -0.14 -0.70 2.29 0.11 -0.81 -4.75 120.40 113.53 2ncm s VAL 93 Ca -0.03 0.17 -0.26 0.00 -2.93 0.00 0.00 61.98 58.93 2ncm s VAL 93 Cb 0.00 -0.36 -0.02 0.00 -1.53 0.00 0.00 36.38 34.48 2ncm s VAL 93 CO -0.06 -0.02 1.83 0.21 -3.33 0.00 0.00 175.10 173.74 2ncm s ASN 94 N 2.19 5.33 -0.15 3.54 2.47 -0.55 -1.77 114.94 126.00 2ncm s ASN 94 Ca 0.04 -0.01 -0.08 0.00 0.42 0.00 0.00 52.86 53.23 2ncm s ASN 94 Cb -0.14 -2.54 -0.04 0.00 -1.45 0.00 0.00 41.25 37.08 2ncm s ASN 94 CO -0.06 -2.40 0.14 -0.69 -3.72 0.00 0.00 177.10 170.36 2ncm s VAL 95 N 8.97 5.47 0.13 -5.21 1.01 -0.72 -1.09 120.40 128.96 2ncm s VAL 95 Ca 0.65 0.21 0.08 0.00 0.00 0.00 0.00 61.98 62.92 2ncm s VAL 95 Cb -0.11 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 2ncm s VAL 95 CO 0.14 0.55 -0.19 -0.54 0.00 0.00 0.00 175.10 175.06 2ncm s LYS 96 N -0.51 1.17 -0.16 2.72 1.02 -0.84 -0.29 119.74 122.84 2ncm s LYS 96 Ca 0.13 -1.26 -0.05 0.00 0.02 0.00 0.00 55.97 54.81 2ncm s LYS 96 Cb -0.12 -1.31 0.06 0.00 -0.52 0.00 0.00 37.83 35.94 2ncm s LYS 96 CO 0.02 0.29 0.09 0.42 -0.92 0.00 0.00 175.35 175.24 2ncm s ILE 97 N -1.59 -0.08 -0.19 2.17 1.01 -1.23 -1.81 121.20 119.49 2ncm s ILE 97 Ca 0.10 -0.12 -0.04 0.00 0.00 0.00 0.00 60.65 60.58 2ncm s ILE 97 Cb -0.08 -0.55 -0.02 0.00 0.01 0.00 0.00 42.46 41.82 2ncm s ILE 97 CO 0.05 -0.24 -0.02 0.72 0.00 0.00 0.00 174.94 175.44 2ncm s PHE 98 N 2.14 3.01 -2.59 3.97 -0.71 -0.79 -4.50 117.98 118.51 2ncm s PHE 98 Ca 0.02 -0.51 0.27 0.00 -1.04 0.00 0.00 56.93 55.67 2ncm s PHE 98 Cb -0.16 -2.04 0.90 0.00 -1.21 0.00 0.00 43.02 40.51 2ncm s PHE 98 CO -0.09 -0.25 1.66 0.00 -1.34 0.00 0.00 175.22 175.21