#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ncm n VAL 2 N 0.00 4.73 -3.72 1.55 0.24 -1.26 -4.96 118.33 114.91 2ncm n VAL 2 Ca 0.00 -5.41 -0.12 0.00 -2.04 0.00 0.00 64.34 56.77 2ncm n VAL 2 Cb 0.00 -2.43 -0.12 0.00 -1.47 0.00 0.00 33.84 29.82 2ncm n VAL 2 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2ncm s LEU 3 N -1.32 0.21 -0.10 1.34 1.43 -1.26 -3.79 118.68 115.20 2ncm s LEU 3 Ca 0.33 0.71 -0.07 0.00 -1.03 0.00 0.00 54.13 54.07 2ncm s LEU 3 Cb -0.05 1.06 0.04 0.00 0.03 0.00 0.00 46.19 47.27 2ncm s LEU 3 CO -0.02 -0.17 0.25 -1.58 0.23 0.00 0.00 176.35 175.06 2ncm s GLN 4 N 1.21 0.24 -0.05 1.70 0.74 0.19 -4.92 119.66 118.77 2ncm s GLN 4 Ca -0.08 0.45 -0.05 0.00 0.05 0.00 0.00 55.36 55.73 2ncm s GLN 4 Cb -0.09 -0.00 0.01 0.00 1.10 0.00 0.00 33.01 34.03 2ncm s GLN 4 CO -0.10 -0.11 0.14 0.08 -0.55 0.00 0.00 175.29 174.76 2ncm s VAL 5 N 0.76 -0.00 -0.24 1.34 1.01 -1.26 -1.54 120.40 120.47 2ncm s VAL 5 Ca -0.05 0.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.85 2ncm s VAL 5 Cb -0.06 -0.21 0.10 0.00 0.00 0.00 0.00 36.38 36.21 2ncm s VAL 5 CO -0.05 0.00 0.52 -1.81 0.00 0.00 0.00 175.10 173.77 2ncm s ASP 6 N 0.12 -0.66 0.01 3.32 1.01 -0.85 -4.82 116.67 114.79 2ncm s ASP 6 Ca -0.00 1.25 -0.19 0.00 0.71 0.00 0.00 52.55 54.31 2ncm s ASP 6 Cb -0.01 1.70 -0.06 0.00 1.01 0.00 0.00 42.92 45.56 2ncm s ASP 6 CO -0.00 -0.23 0.56 -0.63 0.21 0.00 0.00 175.17 175.08 2ncm s ILE 7 N 2.60 4.90 -0.11 0.77 1.01 -1.26 -1.77 121.20 127.34 2ncm s ILE 7 Ca -0.04 1.17 0.03 0.00 0.00 0.00 0.00 60.65 61.81 2ncm s ILE 7 Cb -0.11 -3.89 0.01 0.00 0.01 0.00 0.00 42.46 38.47 2ncm s ILE 7 CO -0.16 0.46 -0.21 -0.69 0.00 0.00 0.00 174.94 174.34 2ncm s VAL 8 N -0.43 1.90 0.33 2.92 1.01 -0.68 -3.98 120.40 121.48 2ncm s VAL 8 Ca 0.29 -0.91 -0.06 0.00 0.00 0.00 0.00 61.98 61.31 2ncm s VAL 8 Cb -0.18 -1.67 0.08 0.00 0.00 0.00 0.00 36.38 34.61 2ncm s VAL 8 CO 0.17 0.52 0.36 -0.81 0.00 0.00 0.00 175.10 175.34 2ncm n PRO 9 N 3.78 -1.08 -0.09 2.72 -0.04 -1.26 -1.42 135.00 137.61 2ncm n PRO 9 Ca -0.20 -0.56 -0.18 0.00 -0.04 0.00 0.00 63.50 62.52 2ncm n PRO 9 Cb 0.52 -0.45 -0.12 0.00 -0.04 0.00 0.00 33.50 33.41 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 -1.07 0.00 -3.25 3.54 4.64 -1.94 -3.45 113.55 112.02 2ncm h SER 10 Ca -0.12 -0.71 -0.57 0.00 -0.47 0.00 0.00 61.79 59.92 2ncm h SER 10 Cb 0.36 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.06 2ncm h SER 10 CO 0.08 1.27 -0.76 0.00 -0.87 0.00 0.00 176.83 176.55 2ncm s GLN 11 N -2.30 0.80 -0.03 4.77 -2.07 -1.26 -1.71 119.66 117.86 2ncm s GLN 11 Ca -0.24 -0.88 -0.04 0.00 -1.82 0.00 0.00 55.36 52.38 2ncm s GLN 11 Cb 0.02 -2.10 -0.04 0.00 -1.09 0.00 0.00 33.01 29.80 2ncm s GLN 11 CO 0.63 -0.84 0.18 0.20 -1.32 0.00 0.00 175.29 174.14 2ncm s GLY 12 N 1.66 2.18 -0.08 2.60 0.00 0.01 -4.98 107.32 108.72 2ncm s GLY 12 Ca 0.05 -0.72 0.03 0.00 0.00 0.00 0.00 44.72 44.07 2ncm s GLY 12 CO -0.18 -0.58 -0.15 -0.54 0.00 0.00 0.00 173.10 171.65 2ncm s GLU 13 N -1.76 2.03 0.14 2.90 8.01 -1.26 -1.03 118.70 127.73 2ncm s GLU 13 Ca 0.25 -0.52 -0.03 0.00 0.01 0.00 0.00 54.97 54.68 2ncm s GLU 13 Cb -0.13 -1.64 -0.03 0.00 -4.31 0.00 0.00 34.13 28.03 2ncm s GLU 13 CO 0.16 0.05 0.11 0.42 0.01 0.00 0.00 175.26 176.00 2ncm s ILE 14 N 0.63 0.10 0.21 -1.63 1.09 -0.76 -4.95 121.20 115.88 2ncm s ILE 14 Ca -0.15 -1.78 0.06 0.00 -1.10 0.00 0.00 60.65 57.68 2ncm s ILE 14 Cb -0.16 -1.98 -0.04 0.00 -1.06 0.00 0.00 42.46 39.23 2ncm s ILE 14 CO 0.04 -0.45 0.18 -0.94 -0.10 0.00 0.00 174.94 173.67 2ncm s SER 15 N -3.02 5.57 0.31 3.58 1.04 -1.26 -1.77 113.70 118.14 2ncm s SER 15 Ca 0.22 -0.17 -0.29 0.00 0.48 0.00 0.00 55.95 56.18 2ncm s SER 15 Cb 0.07 -1.45 -0.11 0.00 0.10 0.00 0.00 66.02 64.63 2ncm s SER 15 CO 0.01 0.01 1.49 -0.69 0.98 0.00 0.00 173.24 175.05 2ncm s VAL 16 N -1.94 2.29 0.00 5.02 1.01 -0.82 -2.00 120.40 123.97 2ncm s VAL 16 Ca 0.32 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.56 2ncm s VAL 16 Cb -0.09 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.13 2ncm s VAL 16 CO 0.24 0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.00 2ncm n GLY 17 N 1.58 1.28 3.91 4.51 0.00 -0.99 -4.91 105.19 110.57 2ncm n GLY 17 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.53 3.36 -0.16 1.61 2.02 -0.85 -4.72 118.70 119.43 2ncm s GLU 18 Ca 0.00 -0.57 -0.09 0.00 0.02 0.00 0.00 54.97 54.33 2ncm s GLU 18 Cb 0.00 -2.95 -0.05 0.00 0.10 0.00 0.00 34.13 31.23 2ncm s GLU 18 CO 0.00 0.55 0.13 -1.54 0.02 0.00 0.00 175.26 174.42 2ncm s SER 19 N -2.94 6.28 0.44 -0.19 1.04 -1.18 -2.93 113.70 114.21 2ncm s SER 19 Ca 0.34 0.34 0.06 0.00 0.48 0.00 0.00 55.95 57.17 2ncm s SER 19 Cb -0.12 -2.08 -0.05 0.00 0.10 0.00 0.00 66.02 63.88 2ncm s SER 19 CO 0.28 0.29 0.10 -1.59 0.98 0.00 0.00 173.24 173.29 2ncm s LYS 20 N -0.30 2.12 -0.08 4.02 -2.85 -0.87 -4.97 119.74 116.81 2ncm s LYS 20 Ca 0.11 -2.05 -0.31 0.00 -1.00 0.00 0.00 55.97 52.72 2ncm s LYS 20 Cb -0.11 -1.78 0.09 0.00 -2.06 0.00 0.00 37.83 33.96 2ncm s LYS 20 CO 0.01 -0.17 0.78 -0.59 0.10 0.00 0.00 175.35 175.48 2ncm s PHE 21 N -2.70 -0.57 -0.24 1.78 -0.71 -1.26 -1.85 117.98 112.42 2ncm s PHE 21 Ca 0.32 0.99 -0.04 0.00 -1.04 0.00 0.00 56.93 57.16 2ncm s PHE 21 Cb 0.05 0.42 0.08 0.00 -1.21 0.00 0.00 43.02 42.36 2ncm s PHE 21 CO 0.17 -0.53 0.09 -0.06 -1.34 0.00 0.00 175.22 173.56 2ncm s PHE 22 N -1.15 0.60 -0.42 3.49 0.40 -0.67 -4.62 117.98 115.60 2ncm s PHE 22 Ca -0.08 -0.81 -0.29 0.00 -0.60 0.00 0.00 56.93 55.15 2ncm s PHE 22 Cb -0.00 -0.96 0.02 0.00 0.51 0.00 0.00 43.02 42.59 2ncm s PHE 22 CO 0.07 -0.69 1.15 -1.17 0.70 0.00 0.00 175.22 175.28 2ncm s LEU 23 N 2.00 3.72 -0.46 -0.37 2.96 -0.51 -1.82 118.68 124.19 2ncm s LEU 23 Ca 0.05 0.68 -0.22 0.00 -0.22 0.00 0.00 54.13 54.42 2ncm s LEU 23 Cb -0.16 -3.55 0.03 0.00 0.50 0.00 0.00 46.19 43.01 2ncm s LEU 23 CO -0.21 -1.17 0.72 0.00 -1.32 0.00 0.00 176.35 174.37 2ncm s GLN 25 N 3.07 3.48 0.29 0.00 -0.21 -0.73 -1.91 119.66 123.65 2ncm s GLN 25 Ca 0.25 -0.19 0.04 0.00 0.02 0.00 0.00 55.36 55.47 2ncm s GLN 25 Cb -0.14 -2.58 -0.03 0.00 1.00 0.00 0.00 33.01 31.26 2ncm s GLN 25 CO 0.19 0.03 0.25 0.14 -2.12 0.00 0.00 175.29 173.78 2ncm s VAL 26 N -2.45 0.00 -0.24 1.09 -7.23 -1.26 -2.01 120.40 108.31 2ncm s VAL 26 Ca 0.42 -1.96 -0.27 0.00 -1.81 0.00 0.00 61.98 58.36 2ncm s VAL 26 Cb -0.10 -2.51 0.13 0.00 0.56 0.00 0.00 36.38 34.46 2ncm s VAL 26 CO 0.39 0.00 1.03 0.00 -0.31 0.00 0.00 175.10 176.21 2ncm s ALA 27 N -3.63 -1.97 0.00 1.32 0.00 -0.59 -4.94 121.76 111.97 2ncm s ALA 27 Ca 0.39 1.76 0.00 0.00 0.00 0.00 0.00 51.96 54.11 2ncm s ALA 27 Cb 0.03 -1.17 0.00 0.00 0.00 0.00 0.00 23.12 21.98 2ncm s ALA 27 CO 0.23 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.14 2ncm n GLY 28 N 1.63 4.88 2.15 0.00 0.00 -1.26 0.54 105.19 113.13 2ncm n GLY 28 Ca -0.12 -1.04 -0.27 0.00 0.00 0.00 0.00 46.02 44.59 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 7.13 -2.77 1.61 8.00 -1.26 -4.92 116.55 124.34 2ncm n ASP 29 Ca 0.00 -3.45 -0.09 0.00 0.71 0.00 0.00 54.79 51.96 2ncm n ASP 29 Cb 0.00 -1.02 0.07 0.00 -0.02 0.00 0.00 41.12 40.15 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 -0.30 -0.91 -0.02 2.24 0.00 -1.25 -4.99 120.51 115.27 2ncm n ALA 30 Ca 0.48 -0.47 0.01 0.00 0.00 0.00 0.00 53.44 53.46 2ncm n ALA 30 Cb 0.61 -0.03 -0.07 0.00 0.00 0.00 0.00 19.45 19.96 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 -2.38 1.24 0.00 0.00 4.01 -1.26 -4.85 118.16 114.92 2ncm n LYS 31 Ca 0.04 -0.05 0.00 0.00 -0.51 0.00 0.00 58.31 57.79 2ncm n LYS 31 Cb 0.17 -1.21 0.00 0.00 -0.51 0.00 0.00 35.03 33.48 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 -2.01 3.30 -0.24 4.39 2.03 -1.26 -4.90 116.55 117.86 2ncm n ASP 32 Ca -0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.25 2ncm n ASP 32 Cb 0.45 0.21 0.00 0.00 -0.72 0.00 0.00 41.12 41.06 2ncm n ASP 32 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 2ncm n LYS 33 N -1.84 -0.03 -1.05 -0.67 2.85 -1.06 -4.85 118.16 111.52 2ncm n LYS 33 Ca 0.00 -0.02 -0.30 0.00 -1.05 0.00 0.00 58.31 56.94 2ncm n LYS 33 Cb 0.36 0.03 0.25 0.00 -0.65 0.00 0.00 35.03 35.02 2ncm n LYS 33 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2ncm s ASP 34 N -0.25 0.55 0.12 -5.58 1.01 -0.64 -4.63 116.67 107.26 2ncm s ASP 34 Ca 0.00 0.53 0.05 0.00 0.71 0.00 0.00 52.55 53.84 2ncm s ASP 34 Cb 0.00 -0.69 -0.04 0.00 1.01 0.00 0.00 42.92 43.20 2ncm s ASP 34 CO 0.00 -4.34 -0.12 -0.63 0.21 0.00 0.00 175.17 170.29 2ncm s ILE 35 N -3.00 1.18 0.17 0.77 1.09 -1.26 -2.02 121.20 118.13 2ncm s ILE 35 Ca 0.72 -1.75 -0.19 0.00 -1.10 0.00 0.00 60.65 58.33 2ncm s ILE 35 Cb -0.08 -1.52 0.04 0.00 -1.06 0.00 0.00 42.46 39.84 2ncm s ILE 35 CO 0.56 -0.51 0.52 -0.44 -0.10 0.00 0.00 174.94 174.96 2ncm s SER 36 N -2.56 -0.35 -0.03 3.58 0.01 0.16 -4.93 113.70 109.58 2ncm s SER 36 Ca 0.09 -0.28 0.02 0.00 1.31 0.00 0.00 55.95 57.09 2ncm s SER 36 Cb -0.03 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.76 2ncm s SER 36 CO 0.02 -0.98 -0.08 0.26 0.41 0.00 0.00 173.24 172.87 2ncm s TRP 37 N -3.81 0.85 -0.23 2.43 0.52 -1.26 -1.35 118.94 116.09 2ncm s TRP 37 Ca 0.05 -0.21 -0.00 0.00 0.02 0.00 0.00 56.10 55.95 2ncm s TRP 37 Cb -0.00 -0.62 0.06 0.00 -1.15 0.00 0.00 33.47 31.76 2ncm s TRP 37 CO -0.08 -0.10 -0.01 -0.06 0.02 0.00 0.00 176.95 176.72 2ncm s PHE 38 N 0.25 1.93 0.68 -1.98 0.40 -0.86 -1.76 117.98 116.64 2ncm s PHE 38 Ca -0.04 -1.49 -0.17 0.00 -0.60 0.00 0.00 56.93 54.64 2ncm s PHE 38 Cb -0.08 -1.44 0.00 0.00 0.51 0.00 0.00 43.02 42.01 2ncm s PHE 38 CO 0.00 -0.73 1.19 -1.13 0.70 0.00 0.00 175.22 175.25 2ncm n SER 39 N 4.80 1.49 0.10 1.36 3.41 0.10 -0.92 113.62 123.96 2ncm n SER 39 Ca -0.10 0.76 0.05 0.00 -0.26 0.00 0.00 58.87 59.32 2ncm n SER 39 Cb 0.45 -1.50 0.28 0.00 -0.26 0.00 0.00 64.21 63.18 2ncm n SER 39 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2ncm n PRO 40 N -2.02 0.07 0.00 4.33 -0.04 -1.20 -1.55 135.00 134.59 2ncm n PRO 40 Ca 0.15 0.52 0.13 0.00 -0.04 0.00 0.00 63.50 64.25 2ncm n PRO 40 Cb 0.49 -1.88 0.69 0.00 -0.04 0.00 0.00 33.50 32.75 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 -1.85 0.00 -0.24 3.54 5.15 -1.26 -4.87 115.26 115.73 2ncm n ASN 41 Ca -0.01 -0.34 0.00 0.00 -0.60 0.00 0.00 54.58 53.64 2ncm n ASN 41 Cb 0.17 -0.19 0.00 0.00 -0.53 0.00 0.00 39.78 39.24 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 0.79 0.89 3.50 8.20 0.00 -0.60 -5.11 105.19 112.86 2ncm n GLY 42 Ca 0.15 -0.26 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.81 0.96 0.77 1.61 1.03 -1.13 -5.02 118.70 115.10 2ncm s GLU 43 Ca 0.00 -0.12 -0.11 0.00 0.03 0.00 0.00 54.97 54.77 2ncm s GLU 43 Cb 0.00 0.44 0.06 0.00 -0.80 0.00 0.00 34.13 33.83 2ncm s GLU 43 CO 0.00 -0.37 1.10 0.21 -1.33 0.00 0.00 175.26 174.87 2ncm s LYS 44 N -2.42 2.19 -0.07 -4.83 2.20 -1.26 0.01 119.74 115.57 2ncm s LYS 44 Ca -0.01 1.23 0.02 0.00 -0.36 0.00 0.00 55.97 56.85 2ncm s LYS 44 Cb -0.01 -1.89 -0.03 0.00 -1.51 0.00 0.00 37.83 34.40 2ncm s LYS 44 CO -0.03 -1.70 -0.10 -0.51 -0.36 0.00 0.00 175.35 172.65 2ncm s LEU 45 N -5.87 3.00 0.48 5.43 1.43 -0.72 -4.68 118.68 117.74 2ncm s LEU 45 Ca 0.62 -0.10 -0.12 0.00 -1.03 0.00 0.00 54.13 53.50 2ncm s LEU 45 Cb -0.18 -1.64 -0.06 0.00 0.03 0.00 0.00 46.19 44.33 2ncm s LEU 45 CO 0.55 0.34 0.88 -0.44 0.23 0.00 0.00 176.35 177.91 2ncm s SER 46 N -0.69 6.49 0.34 2.29 0.01 -1.26 -4.81 113.70 116.06 2ncm s SER 46 Ca 0.10 1.31 0.18 0.00 1.31 0.00 0.00 55.95 58.85 2ncm s SER 46 Cb -0.11 -2.40 0.35 0.00 0.21 0.00 0.00 66.02 64.07 2ncm s SER 46 CO 0.01 -0.55 1.58 1.55 0.41 0.00 0.00 173.24 176.24 2ncm h PRO 47 N 0.81 0.00 -2.34 12.44 0.13 -1.87 -3.39 132.00 137.77 2ncm h PRO 47 Ca -0.47 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.08 2ncm h PRO 47 Cb 1.19 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.94 2ncm h PRO 47 CO 0.62 0.38 -0.98 0.27 -0.23 0.00 0.00 178.00 178.07 2ncm n ASN 48 N -3.28 -0.23 0.08 1.44 0.23 -1.26 -3.92 115.26 108.32 2ncm n ASN 48 Ca 0.01 -2.46 0.00 0.00 -0.53 0.00 0.00 54.58 51.61 2ncm n ASN 48 Cb 0.62 -0.57 0.00 0.00 -2.08 0.00 0.00 39.78 37.75 2ncm n ASN 48 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2ncm n GLN 49 N 2.60 0.00 0.00 -3.83 10.64 -1.26 -5.16 117.38 120.37 2ncm n GLN 49 Ca 0.28 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.45 2ncm n GLN 49 Cb 0.48 -0.33 0.00 0.00 -0.86 0.00 0.00 30.24 29.53 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 -3.44 0.00 0.11 2.61 6.02 -1.26 -5.01 117.38 116.41 2ncm n GLN 50 Ca 0.00 0.00 0.20 0.00 -0.01 0.00 0.00 57.00 57.19 2ncm n GLN 50 Cb 0.03 0.00 0.69 0.00 1.02 0.00 0.00 30.24 31.99 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 -5.83 -1.09 -0.00 -1.95 -3.36 114.38 102.15 2ncm h ARG 51 Ca 0.00 0.00 -0.60 0.00 -0.50 0.00 0.00 59.98 58.88 2ncm h ARG 51 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 29.97 29.85 2ncm h ARG 51 CO 0.00 0.00 0.88 0.42 0.00 0.00 0.00 179.97 181.27 2ncm s ILE 52 N -4.46 4.08 -0.30 2.04 1.01 -1.26 -1.97 121.20 120.34 2ncm s ILE 52 Ca -0.04 -0.23 -0.11 0.00 0.00 0.00 0.00 60.65 60.27 2ncm s ILE 52 Cb 0.13 -4.83 -0.03 0.00 0.01 0.00 0.00 42.46 37.74 2ncm s ILE 52 CO 0.46 -1.67 0.19 -0.55 0.00 0.00 0.00 174.94 173.36 2ncm s SER 53 N 3.86 5.86 0.37 3.58 0.15 0.39 -4.63 113.70 123.28 2ncm s SER 53 Ca 0.31 -0.23 -0.00 0.00 0.70 0.00 0.00 55.95 56.73 2ncm s SER 53 Cb -0.10 -2.09 -0.03 0.00 -1.71 0.00 0.00 66.02 62.09 2ncm s SER 53 CO 0.08 -0.13 0.58 -0.69 1.20 0.00 0.00 173.24 174.28 2ncm s VAL 54 N 1.71 5.00 0.11 4.45 1.01 -1.25 -1.81 120.40 129.62 2ncm s VAL 54 Ca 0.06 -0.40 -0.23 0.00 0.00 0.00 0.00 61.98 61.41 2ncm s VAL 54 Cb -0.16 -3.83 0.06 0.00 0.00 0.00 0.00 36.38 32.44 2ncm s VAL 54 CO 0.09 -0.57 0.57 0.54 0.00 0.00 0.00 175.10 175.73 2ncm s VAL 55 N -2.37 0.01 -0.06 2.92 0.11 -0.77 -4.82 120.40 115.41 2ncm s VAL 55 Ca 0.41 -0.11 -0.01 0.00 -2.93 0.00 0.00 61.98 59.34 2ncm s VAL 55 Cb -0.10 -1.02 0.03 0.00 -1.53 0.00 0.00 36.38 33.76 2ncm s VAL 55 CO 0.37 -0.06 0.00 0.26 -3.33 0.00 0.00 175.10 172.34 2ncm s TRP 56 N -3.17 0.59 0.00 1.54 0.51 -1.26 -1.25 118.94 115.89 2ncm s TRP 56 Ca -0.02 -0.12 0.00 0.00 -2.12 0.00 0.00 56.10 53.85 2ncm s TRP 56 Cb -0.00 -0.72 0.00 0.00 -0.81 0.00 0.00 33.47 31.93 2ncm s TRP 56 CO -0.08 -0.28 0.00 0.27 -0.51 0.00 0.00 176.95 176.35 2ncm n ASN 57 N 4.95 0.00 -3.31 2.95 0.23 -0.87 -5.02 115.26 114.20 2ncm n ASN 57 Ca -0.10 0.00 -0.17 0.00 -0.53 0.00 0.00 54.58 53.78 2ncm n ASN 57 Cb 0.50 0.00 0.16 0.00 -2.08 0.00 0.00 39.78 38.36 2ncm n ASN 57 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2ncm n ASP 58 N -0.83 -3.08 -0.24 0.53 9.92 -1.25 -4.81 116.55 116.79 2ncm n ASP 58 Ca 0.00 -0.48 -0.06 0.00 -0.53 0.00 0.00 54.79 53.72 2ncm n ASP 58 Cb 0.00 -0.67 -0.05 0.00 -0.64 0.00 0.00 41.12 39.76 2ncm n ASP 58 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2ncm n ASP 59 N -2.87 -0.59 -0.63 -2.24 5.75 -1.26 -3.44 116.55 111.26 2ncm n ASP 59 Ca 0.08 1.03 0.00 0.00 -0.01 0.00 0.00 54.79 55.88 2ncm n ASP 59 Cb 0.33 -0.14 -0.00 0.00 -1.03 0.00 0.00 41.12 40.27 2ncm n ASP 59 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2ncm n ASP 60 N -4.74 0.04 -4.84 -1.12 8.00 -1.26 -5.11 116.55 107.52 2ncm n ASP 60 Ca 0.02 -1.70 -0.35 0.00 0.71 0.00 0.00 54.79 53.47 2ncm n ASP 60 Cb 0.16 -0.12 -0.06 0.00 -0.02 0.00 0.00 41.12 41.08 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 -0.80 6.84 0.03 -2.24 1.04 -1.22 -4.68 113.70 112.67 2ncm s SER 61 Ca 0.04 1.12 0.00 0.00 0.48 0.00 0.00 55.95 57.59 2ncm s SER 61 Cb 0.04 -2.30 -0.00 0.00 0.10 0.00 0.00 66.02 63.85 2ncm s SER 61 CO -0.02 0.08 0.02 -1.20 0.98 0.00 0.00 173.24 173.10 2ncm n SER 62 N 0.72 0.53 -3.57 7.02 7.64 -0.80 -2.05 113.62 123.11 2ncm n SER 62 Ca -0.04 -1.18 -0.16 0.00 1.01 0.00 0.00 58.87 58.50 2ncm n SER 62 Cb 0.52 0.11 -0.06 0.00 -1.01 0.00 0.00 64.21 63.76 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 -1.85 0.00 -0.39 0.44 2.01 -0.38 -1.59 115.64 113.88 2ncm s THR 63 Ca 0.02 0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.04 2ncm s THR 63 Cb 0.00 -1.00 0.11 0.00 0.01 0.00 0.00 72.50 71.62 2ncm s THR 63 CO 0.02 0.00 0.14 -0.22 -0.69 0.00 0.00 174.62 173.86 2ncm s LEU 64 N -0.52 4.88 -0.09 4.42 0.20 -0.76 -1.85 118.68 124.96 2ncm s LEU 64 Ca -0.06 -2.25 -0.10 0.00 0.69 0.00 0.00 54.13 52.40 2ncm s LEU 64 Cb -0.02 -1.70 -0.05 0.00 -0.43 0.00 0.00 46.19 43.99 2ncm s LEU 64 CO 0.06 -0.41 0.24 0.42 -0.29 0.00 0.00 176.35 176.37 2ncm s THR 65 N 0.79 5.34 -0.40 3.68 -4.23 -0.75 -1.67 115.64 118.40 2ncm s THR 65 Ca 0.11 0.43 0.01 0.00 -1.18 0.00 0.00 61.69 61.07 2ncm s THR 65 Cb -0.21 -3.52 0.14 0.00 1.34 0.00 0.00 72.50 70.25 2ncm s THR 65 CO -0.06 0.58 0.24 -0.63 -0.54 0.00 0.00 174.62 174.21 2ncm s ILE 66 N -0.85 0.77 0.00 2.99 1.01 -0.77 -0.46 121.20 123.88 2ncm s ILE 66 Ca 0.17 -2.19 0.00 0.00 0.00 0.00 0.00 60.65 58.64 2ncm s ILE 66 Cb -0.13 -1.55 0.00 0.00 0.01 0.00 0.00 42.46 40.79 2ncm s ILE 66 CO 0.07 -0.96 0.00 -1.22 0.00 0.00 0.00 174.94 172.82 2ncm n TYR 67 N 3.71 0.00 -1.89 3.97 4.01 -0.83 -2.05 117.16 124.08 2ncm n TYR 67 Ca 0.12 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.48 2ncm n TYR 67 Cb 0.36 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.36 2ncm n TYR 67 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2ncm s ASN 68 N -2.30 5.07 0.39 7.72 2.47 -1.26 -3.13 114.94 123.89 2ncm s ASN 68 Ca 0.00 0.64 -0.20 0.00 0.42 0.00 0.00 52.86 53.71 2ncm s ASN 68 Cb 0.00 -2.52 -0.10 0.00 -1.45 0.00 0.00 41.25 37.18 2ncm s ASN 68 CO 0.00 -2.48 0.91 0.00 -3.72 0.00 0.00 177.10 171.81 2ncm s ALA 69 N 9.85 3.12 0.04 1.71 0.00 -1.15 -4.83 121.76 130.50 2ncm s ALA 69 Ca 0.77 0.35 -0.04 0.00 0.00 0.00 0.00 51.96 53.04 2ncm s ALA 69 Cb -0.15 -3.08 -0.02 0.00 0.00 0.00 0.00 23.12 19.88 2ncm s ALA 69 CO 0.23 0.18 0.06 -0.80 0.00 0.00 0.00 175.76 175.43 2ncm s ASN 70 N -2.12 0.24 0.61 0.00 0.01 -1.26 -2.35 114.94 110.07 2ncm s ASN 70 Ca 0.59 -0.63 0.29 0.00 -0.71 0.00 0.00 52.86 52.40 2ncm s ASN 70 Cb -0.11 0.21 1.53 0.00 0.41 0.00 0.00 41.25 43.30 2ncm s ASN 70 CO 0.15 -0.51 1.93 0.16 -1.51 0.00 0.00 177.10 177.31 2ncm h ILE 71 N 3.63 0.30 -0.21 0.60 3.07 -1.96 0.68 117.51 123.61 2ncm h ILE 71 Ca -0.33 0.00 -0.15 0.00 1.55 0.00 0.00 64.86 65.93 2ncm h ILE 71 Cb 1.18 0.66 0.00 0.00 -0.27 0.00 0.00 36.82 38.39 2ncm h ILE 71 CO 0.53 0.00 -0.44 0.44 -1.05 0.00 0.00 178.15 177.62 2ncm h ASP 72 N 0.00 0.76 -0.21 2.16 3.32 -1.96 -3.17 116.42 117.33 2ncm h ASP 72 Ca 0.15 -0.55 -0.07 0.00 0.02 0.00 0.00 57.03 56.58 2ncm h ASP 72 Cb 0.97 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.29 2ncm h ASP 72 CO -0.00 1.17 -0.08 0.44 -1.72 0.00 0.00 179.24 179.05 2ncm h ASP 73 N 0.38 0.55 -1.81 6.45 3.32 -1.29 -3.44 116.42 120.58 2ncm h ASP 73 Ca 0.00 -0.14 -0.67 0.00 0.02 0.00 0.00 57.03 56.25 2ncm h ASP 73 Cb 1.05 -0.15 0.04 0.00 0.22 0.00 0.00 39.33 40.50 2ncm h ASP 73 CO 0.10 0.68 0.69 0.00 -1.72 0.00 0.00 179.24 178.99 2ncm n ALA 74 N -2.48 -0.13 0.00 3.45 0.00 -0.95 -4.82 120.51 115.59 2ncm n ALA 74 Ca 0.01 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.90 2ncm n ALA 74 Cb 0.31 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.55 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 3.27 -2.47 3.55 0.00 0.00 -0.12 -4.93 105.19 104.49 2ncm n GLY 75 Ca 0.20 -1.28 -0.43 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.24 4.44 0.67 -0.61 1.09 -1.26 -1.69 121.20 121.60 2ncm s ILE 76 Ca 0.00 0.60 -0.08 0.00 -1.10 0.00 0.00 60.65 60.06 2ncm s ILE 76 Cb 0.00 -4.47 0.03 0.00 -1.06 0.00 0.00 42.46 36.95 2ncm s ILE 76 CO 0.00 -0.93 1.01 -0.31 -0.10 0.00 0.00 174.94 174.61 2ncm s TYR 77 N 3.84 3.18 0.18 3.97 1.51 -0.77 -3.27 117.35 125.99 2ncm s TYR 77 Ca 0.35 0.74 0.07 0.00 -1.01 0.00 0.00 57.07 57.22 2ncm s TYR 77 Cb -0.11 -3.00 -0.04 0.00 -0.11 0.00 0.00 41.96 38.70 2ncm s TYR 77 CO 0.24 -1.14 -0.14 0.21 -1.11 0.00 0.00 175.55 173.61 2ncm s LYS 78 N -5.21 1.23 -0.33 -0.62 2.20 -0.09 -1.80 119.74 115.11 2ncm s LYS 78 Ca 0.57 -1.48 -0.01 0.00 -0.36 0.00 0.00 55.97 54.69 2ncm s LYS 78 Cb -0.11 -1.04 0.12 0.00 -1.51 0.00 0.00 37.83 35.30 2ncm s LYS 78 CO 0.47 0.18 0.18 0.00 -0.36 0.00 0.00 175.35 175.82 2ncm s VAL 80 N 1.41 5.36 0.16 0.00 1.01 -0.46 -0.58 120.40 127.30 2ncm s VAL 80 Ca 0.14 0.17 0.07 0.00 0.00 0.00 0.00 61.98 62.36 2ncm s VAL 80 Cb -0.20 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 2ncm s VAL 80 CO -0.14 0.48 -0.03 -0.69 0.00 0.00 0.00 175.10 174.72 2ncm s VAL 81 N 0.04 3.58 -0.17 2.92 1.01 -0.64 0.38 120.40 127.52 2ncm s VAL 81 Ca 0.09 -1.42 -0.04 0.00 0.00 0.00 0.00 61.98 60.61 2ncm s VAL 81 Cb -0.11 -2.77 0.06 0.00 0.00 0.00 0.00 36.38 33.55 2ncm s VAL 81 CO -0.00 -0.06 0.06 -0.89 0.00 0.00 0.00 175.10 174.21 2ncm s THR 82 N -1.62 0.18 0.89 3.92 2.01 -0.86 -1.31 115.64 118.84 2ncm s THR 82 Ca 0.26 -0.27 -0.15 0.00 0.31 0.00 0.00 61.69 61.84 2ncm s THR 82 Cb -0.10 -0.73 0.23 0.00 0.01 0.00 0.00 72.50 71.91 2ncm s THR 82 CO 0.17 -0.20 0.58 0.00 -0.69 0.00 0.00 174.62 174.48 2ncm n ALA 83 N 5.18 -3.02 -0.03 7.40 0.00 -0.71 -1.61 120.51 127.72 2ncm n ALA 83 Ca -0.08 -0.98 -0.13 0.00 0.00 0.00 0.00 53.44 52.25 2ncm n ALA 83 Cb 0.48 -0.08 -0.11 0.00 0.00 0.00 0.00 19.45 19.74 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 0.00 -0.11 0.00 4.57 -1.89 -3.29 114.58 113.87 2ncm h GLU 84 Ca -0.25 -0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 57.90 2ncm h GLU 84 Cb 0.82 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.41 2ncm h GLU 84 CO 0.15 0.66 -0.06 0.38 -1.18 0.00 0.00 179.01 178.96 2ncm h ASP 85 N -0.65 0.14 0.00 1.04 2.03 -2.01 -3.47 116.42 113.50 2ncm h ASP 85 Ca -0.00 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.28 2ncm h ASP 85 Cb 0.66 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 39.12 2ncm h ASP 85 CO 0.00 0.24 0.00 0.61 -1.03 0.00 0.00 179.24 179.06 2ncm n GLY 86 N -1.14 1.30 3.62 7.15 0.00 -1.24 -5.10 105.19 109.79 2ncm n GLY 86 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.57 3.11 -0.14 2.61 2.01 -1.26 -4.65 115.64 116.74 2ncm s THR 87 Ca 0.00 0.12 -0.07 0.00 0.31 0.00 0.00 61.69 62.05 2ncm s THR 87 Cb 0.00 -3.12 -0.04 0.00 0.01 0.00 0.00 72.50 69.35 2ncm s THR 87 CO 0.00 -0.05 0.12 -1.10 -0.69 0.00 0.00 174.62 172.90 2ncm s GLN 88 N 5.49 3.63 -0.32 4.92 -0.21 -1.26 -1.74 119.66 130.18 2ncm s GLN 88 Ca 0.92 -0.18 0.00 0.00 0.02 0.00 0.00 55.36 56.12 2ncm s GLN 88 Cb -0.35 -3.22 0.07 0.00 1.00 0.00 0.00 33.01 30.51 2ncm s GLN 88 CO 0.37 0.63 0.02 0.45 -2.12 0.00 0.00 175.29 174.63 2ncm s SER 89 N -0.59 4.82 0.55 5.90 0.15 -0.43 -4.92 113.70 119.18 2ncm s SER 89 Ca 0.12 -1.60 0.08 0.00 0.70 0.00 0.00 55.95 55.26 2ncm s SER 89 Cb -0.12 -1.67 0.08 0.00 -1.71 0.00 0.00 66.02 62.60 2ncm s SER 89 CO 0.02 -0.31 0.67 -1.84 1.20 0.00 0.00 173.24 172.98 2ncm n GLU 90 N 4.50 0.64 -3.53 5.44 0.28 -1.26 -1.62 120.64 125.09 2ncm n GLU 90 Ca -0.08 -3.12 -0.10 0.00 -0.16 0.00 0.00 57.16 53.70 2ncm n GLU 90 Cb 0.42 -0.06 0.01 0.00 1.43 0.00 0.00 31.44 33.24 2ncm n GLU 90 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2ncm n ALA 91 N -2.22 -1.10 -2.91 -1.84 0.00 0.26 -4.78 120.51 107.91 2ncm n ALA 91 Ca -0.14 -1.23 -0.10 0.00 0.00 0.00 0.00 53.44 51.97 2ncm n ALA 91 Cb 0.59 0.99 -0.05 0.00 0.00 0.00 0.00 19.45 20.97 2ncm n ALA 91 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2ncm s THR 92 N -2.42 0.08 -0.07 0.00 -4.23 -1.26 -1.96 115.64 105.78 2ncm s THR 92 Ca 0.18 -0.75 -0.03 0.00 -1.18 0.00 0.00 61.69 59.91 2ncm s THR 92 Cb -0.03 -1.26 0.04 0.00 1.34 0.00 0.00 72.50 72.59 2ncm s THR 92 CO 0.13 -0.37 0.12 0.54 -0.54 0.00 0.00 174.62 174.50 2ncm s VAL 93 N -3.83 -0.20 -0.92 2.29 0.11 -0.74 -4.66 120.40 112.45 2ncm s VAL 93 Ca 0.04 0.38 -0.24 0.00 -2.93 0.00 0.00 61.98 59.23 2ncm s VAL 93 Cb 0.02 -0.24 0.00 0.00 -1.53 0.00 0.00 36.38 34.64 2ncm s VAL 93 CO -0.11 0.16 1.68 0.21 -3.33 0.00 0.00 175.10 173.71 2ncm s ASN 94 N 2.19 5.80 0.01 3.54 2.47 -0.70 -1.85 114.94 126.41 2ncm s ASN 94 Ca 0.03 -0.92 -0.11 0.00 0.42 0.00 0.00 52.86 52.29 2ncm s ASN 94 Cb -0.12 -2.56 -0.05 0.00 -1.45 0.00 0.00 41.25 37.07 2ncm s ASN 94 CO -0.05 -2.13 0.34 -0.69 -3.72 0.00 0.00 177.10 170.86 2ncm s VAL 95 N 7.53 5.17 0.11 -5.21 1.01 -0.68 -0.80 120.40 127.52 2ncm s VAL 95 Ca 0.57 0.51 0.04 0.00 0.00 0.00 0.00 61.98 63.10 2ncm s VAL 95 Cb -0.04 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 2ncm s VAL 95 CO -0.02 0.46 -0.11 -0.75 0.00 0.00 0.00 175.10 174.68 2ncm s LYS 96 N -1.45 0.94 -0.08 2.72 2.47 -0.20 -0.94 119.74 123.19 2ncm s LYS 96 Ca 0.26 -1.25 -0.05 0.00 -1.56 0.00 0.00 55.97 53.38 2ncm s LYS 96 Cb -0.15 -0.64 0.04 0.00 -1.46 0.00 0.00 37.83 35.63 2ncm s LYS 96 CO 0.14 0.10 0.19 0.42 0.16 0.00 0.00 175.35 176.36 2ncm s ILE 97 N -2.60 -0.03 -0.03 5.43 1.01 -1.25 -1.83 121.20 121.90 2ncm s ILE 97 Ca 0.09 0.13 0.01 0.00 0.00 0.00 0.00 60.65 60.88 2ncm s ILE 97 Cb -0.02 -0.30 0.02 0.00 0.01 0.00 0.00 42.46 42.16 2ncm s ILE 97 CO 0.01 0.05 -0.05 0.72 0.00 0.00 0.00 174.94 175.67 2ncm s PHE 98 N 0.97 0.74 -2.78 3.97 -0.12 -0.73 -4.68 117.98 115.34 2ncm s PHE 98 Ca -0.07 -0.19 0.26 0.00 -0.05 0.00 0.00 56.93 56.87 2ncm s PHE 98 Cb -0.09 -0.61 0.56 0.00 -0.63 0.00 0.00 43.02 42.25 2ncm s PHE 98 CO -0.06 -0.15 1.47 0.00 -0.05 0.00 0.00 175.22 176.44