#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 0.00 -1.69 5.15 0.31 -1.26 -5.07 118.33 115.77 2ncm n VAL 2 Ca 0.00 0.00 -0.44 0.00 -0.01 0.00 0.00 64.34 63.89 2ncm n VAL 2 Cb 0.00 -0.26 -0.04 0.00 -0.91 0.00 0.00 33.84 32.63 2ncm n VAL 2 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2ncm n LEU 3 N -1.66 3.65 -4.02 7.52 4.32 -1.26 -3.46 117.00 122.08 2ncm n LEU 3 Ca 0.00 1.03 -0.17 0.00 -0.02 0.00 0.00 56.01 56.85 2ncm n LEU 3 Cb 0.20 -1.49 -0.14 0.00 -1.62 0.00 0.00 43.42 40.37 2ncm n LEU 3 CO 0.00 -0.01 -0.42 -1.58 -1.22 0.00 0.00 177.39 174.16 2ncm s GLN 4 N 1.99 0.64 -0.07 3.23 -0.44 0.18 -4.93 119.66 120.26 2ncm s GLN 4 Ca 0.81 -0.36 -0.11 0.00 -2.50 0.00 0.00 55.36 53.20 2ncm s GLN 4 Cb -0.58 -0.60 0.02 0.00 -1.64 0.00 0.00 33.01 30.22 2ncm s GLN 4 CO 0.38 0.16 0.28 0.08 0.50 0.00 0.00 175.29 176.69 2ncm s VAL 5 N -0.35 0.03 -0.06 1.34 1.01 -1.26 -1.78 120.40 119.32 2ncm s VAL 5 Ca 0.02 -0.24 -0.22 0.00 0.00 0.00 0.00 61.98 61.54 2ncm s VAL 5 Cb -0.04 -0.48 0.05 0.00 0.00 0.00 0.00 36.38 35.91 2ncm s VAL 5 CO -0.00 -0.13 0.51 -1.81 0.00 0.00 0.00 175.10 173.66 2ncm s ASP 6 N -0.50 -0.45 -0.26 3.32 1.01 -0.81 -4.84 116.67 114.13 2ncm s ASP 6 Ca -0.06 0.53 0.02 0.00 0.71 0.00 0.00 52.55 53.75 2ncm s ASP 6 Cb -0.04 0.55 0.07 0.00 1.01 0.00 0.00 42.92 44.50 2ncm s ASP 6 CO 0.02 -0.47 -0.07 -0.63 0.21 0.00 0.00 175.17 174.23 2ncm s ILE 7 N -0.98 1.92 -0.18 0.77 1.01 -1.26 -1.47 121.20 121.01 2ncm s ILE 7 Ca -0.10 -1.57 -0.17 0.00 0.00 0.00 0.00 60.65 58.81 2ncm s ILE 7 Cb -0.03 -2.14 -0.04 0.00 0.01 0.00 0.00 42.46 40.26 2ncm s ILE 7 CO 0.06 -0.14 0.46 -0.69 0.00 0.00 0.00 174.94 174.63 2ncm s VAL 8 N 1.19 5.17 0.84 2.92 1.01 -0.46 -3.35 120.40 127.72 2ncm s VAL 8 Ca -0.05 0.86 -0.10 0.00 0.00 0.00 0.00 61.98 62.69 2ncm s VAL 8 Cb -0.19 -3.79 0.14 0.00 0.00 0.00 0.00 36.38 32.54 2ncm s VAL 8 CO -0.06 0.25 1.17 -2.16 0.00 0.00 0.00 175.10 174.30 2ncm s PRO 9 N 1.20 1.34 0.12 2.72 0.04 -1.26 -1.80 135.00 137.37 2ncm s PRO 9 Ca 0.23 -0.46 -0.12 0.00 0.04 0.00 0.00 61.00 60.68 2ncm s PRO 9 Cb -0.15 -2.03 -0.09 0.00 0.04 0.00 0.00 34.50 32.27 2ncm s PRO 9 CO 0.09 -1.87 1.41 0.66 0.04 0.00 0.00 177.00 177.33 2ncm h SER 10 N -1.12 0.97 -3.20 6.66 4.64 -1.93 -3.43 113.55 116.14 2ncm h SER 10 Ca -0.43 -0.52 -0.36 0.00 -0.47 0.00 0.00 61.79 60.01 2ncm h SER 10 Cb 1.27 -0.28 -0.38 0.00 -0.31 0.00 0.00 62.40 62.70 2ncm h SER 10 CO 0.46 1.31 -0.71 0.00 -0.87 0.00 0.00 176.83 177.02 2ncm s GLN 11 N -4.16 -0.03 -0.35 4.77 0.00 -1.26 -1.65 119.66 116.98 2ncm s GLN 11 Ca -0.11 0.37 -0.03 0.00 -0.00 0.00 0.00 55.36 55.60 2ncm s GLN 11 Cb 0.10 -0.61 0.07 0.00 0.00 0.00 0.00 33.01 32.57 2ncm s GLN 11 CO 0.89 -0.37 0.10 0.20 0.00 0.00 0.00 175.29 176.10 2ncm s GLY 12 N 2.20 1.87 -0.04 2.60 0.00 -0.60 -4.99 107.32 108.36 2ncm s GLY 12 Ca 0.04 -2.10 -0.24 0.00 0.00 0.00 0.00 44.72 42.42 2ncm s GLY 12 CO -0.05 0.85 0.73 -0.54 0.00 0.00 0.00 173.10 174.10 2ncm s GLU 13 N 1.22 4.45 0.16 2.90 8.01 -1.26 -1.84 118.70 132.33 2ncm s GLU 13 Ca 0.01 0.96 -0.08 0.00 0.01 0.00 0.00 54.97 55.87 2ncm s GLU 13 Cb -0.21 -3.43 -0.01 0.00 -4.31 0.00 0.00 34.13 26.16 2ncm s GLU 13 CO -0.02 0.09 0.25 0.42 0.01 0.00 0.00 175.26 176.01 2ncm s ILE 14 N 0.68 0.07 0.21 -1.63 1.09 -0.76 -4.96 121.20 115.91 2ncm s ILE 14 Ca 0.39 -1.43 0.06 0.00 -1.10 0.00 0.00 60.65 58.57 2ncm s ILE 14 Cb -0.18 -1.83 -0.04 0.00 -1.06 0.00 0.00 42.46 39.34 2ncm s ILE 14 CO 0.20 -0.34 0.16 -0.94 -0.10 0.00 0.00 174.94 173.92 2ncm s SER 15 N -2.97 5.48 0.41 3.58 1.04 -1.26 -1.87 113.70 118.10 2ncm s SER 15 Ca 0.17 -0.21 -0.27 0.00 0.48 0.00 0.00 55.95 56.12 2ncm s SER 15 Cb 0.04 -1.40 -0.09 0.00 0.10 0.00 0.00 66.02 64.67 2ncm s SER 15 CO -0.00 0.01 1.42 -0.69 0.98 0.00 0.00 173.24 174.95 2ncm s VAL 16 N -1.96 2.22 0.00 5.02 1.01 -0.81 -1.93 120.40 123.94 2ncm s VAL 16 Ca 0.32 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.50 2ncm s VAL 16 Cb -0.09 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.17 2ncm s VAL 16 CO 0.24 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.99 2ncm n GLY 17 N 0.57 1.53 3.80 4.51 0.00 -0.72 -5.04 105.19 109.85 2ncm n GLY 17 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.40 2.97 0.30 1.61 0.41 -0.78 -4.84 118.70 117.96 2ncm s GLU 18 Ca 0.00 -0.73 -0.04 0.00 -0.41 0.00 0.00 54.97 53.80 2ncm s GLU 18 Cb 0.00 -2.74 -0.05 0.00 -1.78 0.00 0.00 34.13 29.56 2ncm s GLU 18 CO 0.00 0.54 0.55 -1.54 -0.49 0.00 0.00 175.26 174.32 2ncm s SER 19 N -2.69 6.41 -0.23 -0.19 1.04 -0.71 -3.87 113.70 113.45 2ncm s SER 19 Ca 0.31 0.67 -0.08 0.00 0.48 0.00 0.00 55.95 57.33 2ncm s SER 19 Cb -0.11 -2.12 0.11 0.00 0.10 0.00 0.00 66.02 63.99 2ncm s SER 19 CO 0.23 -0.22 0.50 -1.59 0.98 0.00 0.00 173.24 173.14 2ncm s LYS 20 N -3.70 0.41 0.07 4.02 -2.85 -0.66 -4.96 119.74 112.07 2ncm s LYS 20 Ca 0.43 1.16 0.06 0.00 -1.00 0.00 0.00 55.97 56.62 2ncm s LYS 20 Cb -0.11 0.49 -0.04 0.00 -2.06 0.00 0.00 37.83 36.12 2ncm s LYS 20 CO 0.31 -0.25 -0.09 -0.59 0.10 0.00 0.00 175.35 174.83 2ncm s PHE 21 N 2.71 2.78 -0.16 1.78 -0.12 -1.26 -1.13 117.98 122.58 2ncm s PHE 21 Ca -0.02 -0.13 0.00 0.00 -0.05 0.00 0.00 56.93 56.73 2ncm s PHE 21 Cb -0.12 -1.49 0.03 0.00 -0.63 0.00 0.00 43.02 40.80 2ncm s PHE 21 CO -0.15 0.39 -0.13 -0.06 -0.05 0.00 0.00 175.22 175.23 2ncm s PHE 22 N -1.13 2.18 0.04 3.49 0.40 -0.74 -4.82 117.98 117.41 2ncm s PHE 22 Ca 0.20 -1.28 -0.30 0.00 -0.60 0.00 0.00 56.93 54.95 2ncm s PHE 22 Cb -0.11 -1.59 -0.04 0.00 0.51 0.00 0.00 43.02 41.79 2ncm s PHE 22 CO 0.11 -0.68 1.06 -1.17 0.70 0.00 0.00 175.22 175.24 2ncm s LEU 23 N 1.48 4.38 -0.43 -0.37 1.98 -0.75 -1.68 118.68 123.30 2ncm s LEU 23 Ca 0.04 1.81 -0.01 0.00 -2.89 0.00 0.00 54.13 53.07 2ncm s LEU 23 Cb -0.14 -3.58 0.12 0.00 0.66 0.00 0.00 46.19 43.25 2ncm s LEU 23 CO -0.10 -0.32 0.21 0.00 -1.89 0.00 0.00 176.35 174.25 2ncm s GLN 25 N 0.90 3.61 0.22 0.00 -0.21 -0.54 -2.14 119.66 121.50 2ncm s GLN 25 Ca 0.10 0.16 -0.00 0.00 0.02 0.00 0.00 55.36 55.64 2ncm s GLN 25 Cb -0.22 -2.47 -0.04 0.00 1.00 0.00 0.00 33.01 31.28 2ncm s GLN 25 CO -0.05 -0.04 0.12 0.14 -2.12 0.00 0.00 175.29 173.34 2ncm s VAL 26 N -2.47 0.21 -0.29 1.09 -7.23 -1.26 -1.93 120.40 108.52 2ncm s VAL 26 Ca 0.47 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.50 2ncm s VAL 26 Cb -0.10 -2.54 0.11 0.00 0.56 0.00 0.00 36.38 34.40 2ncm s VAL 26 CO 0.38 -0.01 0.70 0.00 -0.31 0.00 0.00 175.10 175.85 2ncm s ALA 27 N -4.00 -2.00 0.00 1.32 0.00 -0.74 -4.94 121.76 111.40 2ncm s ALA 27 Ca 0.38 2.37 0.00 0.00 0.00 0.00 0.00 51.96 54.72 2ncm s ALA 27 Cb 0.07 -1.60 0.00 0.00 0.00 0.00 0.00 23.12 21.59 2ncm s ALA 27 CO 0.12 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 175.68 2ncm n GLY 28 N 4.76 -0.52 1.26 0.00 0.00 -1.22 0.48 105.19 109.95 2ncm n GLY 28 Ca -0.16 -1.44 -0.03 0.00 0.00 0.00 0.00 46.02 44.39 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 2.56 -0.65 -4.48 1.61 2.03 -1.26 -4.98 116.55 111.38 2ncm n ASP 29 Ca 0.00 -1.31 -0.44 0.00 0.52 0.00 0.00 54.79 53.56 2ncm n ASP 29 Cb 0.00 0.24 -0.01 0.00 -0.72 0.00 0.00 41.12 40.63 2ncm n ASP 29 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ncm s ALA 30 N 0.03 3.61 0.13 -1.67 0.00 -1.26 -4.95 121.76 117.65 2ncm s ALA 30 Ca 0.02 -3.03 0.00 0.00 0.00 0.00 0.00 51.96 48.95 2ncm s ALA 30 Cb 0.09 -4.18 0.00 0.00 0.00 0.00 0.00 23.12 19.03 2ncm s ALA 30 CO -0.03 -2.96 0.00 1.63 0.00 0.00 0.00 175.76 174.40 2ncm n LYS 31 N 6.47 -1.10 -1.80 0.00 4.01 -1.26 -4.31 118.16 120.18 2ncm n LYS 31 Ca 0.33 0.72 -0.41 0.00 -0.51 0.00 0.00 58.31 58.44 2ncm n LYS 31 Cb 0.46 -1.34 -0.01 0.00 -0.51 0.00 0.00 35.03 33.63 2ncm n LYS 31 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2ncm s ASP 32 N -5.01 6.37 0.13 4.39 1.01 -1.26 -4.77 116.67 117.54 2ncm s ASP 32 Ca 0.00 2.97 0.05 0.00 0.71 0.00 0.00 52.55 56.29 2ncm s ASP 32 Cb 0.00 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.24 2ncm s ASP 32 CO 0.00 -0.89 0.04 -0.54 0.21 0.00 0.00 175.17 173.99 2ncm s LYS 33 N -1.07 2.61 -0.23 8.23 -0.14 -1.26 -2.80 119.74 125.09 2ncm s LYS 33 Ca 0.59 -0.91 -0.03 0.00 -1.36 0.00 0.00 55.97 54.26 2ncm s LYS 33 Cb -0.47 -2.52 0.08 0.00 -1.68 0.00 0.00 37.83 33.23 2ncm s LYS 33 CO 0.53 0.50 0.07 -0.51 -0.76 0.00 0.00 175.35 175.18 2ncm s ASP 34 N -2.69 3.21 0.47 2.83 1.01 0.05 -4.88 116.67 116.67 2ncm s ASP 34 Ca 0.28 -1.06 -0.22 0.00 0.71 0.00 0.00 52.55 52.26 2ncm s ASP 34 Cb -0.11 -0.59 -0.08 0.00 1.01 0.00 0.00 42.92 43.16 2ncm s ASP 34 CO 0.20 -0.36 1.10 -0.63 0.21 0.00 0.00 175.17 175.70 2ncm s ILE 35 N 1.87 3.41 0.04 0.77 1.09 -1.26 -1.61 121.20 125.50 2ncm s ILE 35 Ca 0.03 0.98 -0.10 0.00 -1.10 0.00 0.00 60.65 60.46 2ncm s ILE 35 Cb -0.17 -3.45 0.01 0.00 -1.06 0.00 0.00 42.46 37.78 2ncm s ILE 35 CO -0.16 -0.09 0.21 -0.44 -0.10 0.00 0.00 174.94 174.35 2ncm s SER 36 N -1.64 0.01 -0.18 3.58 0.01 0.11 -4.95 113.70 110.63 2ncm s SER 36 Ca 0.65 -0.33 -0.01 0.00 1.31 0.00 0.00 55.95 57.58 2ncm s SER 36 Cb -0.23 0.29 0.05 0.00 0.21 0.00 0.00 66.02 66.34 2ncm s SER 36 CO 0.28 -0.55 -0.04 0.26 0.41 0.00 0.00 173.24 173.60 2ncm s TRP 37 N -2.48 1.67 -0.30 2.43 0.52 -1.26 -1.54 118.94 117.98 2ncm s TRP 37 Ca -0.06 -1.12 -0.03 0.00 0.02 0.00 0.00 56.10 54.91 2ncm s TRP 37 Cb -0.01 -1.29 0.04 0.00 -1.15 0.00 0.00 33.47 31.05 2ncm s TRP 37 CO -0.03 -0.63 0.02 -0.06 0.02 0.00 0.00 176.95 176.26 2ncm s PHE 38 N 1.64 3.23 0.76 -1.98 0.40 -0.73 -1.80 117.98 119.51 2ncm s PHE 38 Ca -0.00 -1.69 -0.15 0.00 -0.60 0.00 0.00 56.93 54.49 2ncm s PHE 38 Cb -0.16 -2.14 0.05 0.00 0.51 0.00 0.00 43.02 41.28 2ncm s PHE 38 CO -0.07 -0.77 1.21 -1.13 0.70 0.00 0.00 175.22 175.16 2ncm n SER 39 N 4.68 1.28 0.00 1.36 3.41 -0.44 0.23 113.62 124.14 2ncm n SER 39 Ca -0.14 0.65 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 2ncm n SER 39 Cb 0.44 -1.52 0.00 0.00 -0.26 0.00 0.00 64.21 62.88 2ncm n SER 39 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 2ncm n PRO 40 N -2.85 0.00 -1.51 4.33 -0.01 -1.14 -2.09 135.00 131.73 2ncm n PRO 40 Ca 0.14 0.52 -0.17 0.00 -0.01 0.00 0.00 63.50 63.99 2ncm n PRO 40 Cb 0.50 -0.85 0.09 0.00 -0.01 0.00 0.00 33.50 33.22 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 -1.89 4.28 -0.00 2.55 4.05 -1.26 -4.59 115.26 118.40 2ncm n ASN 41 Ca 0.00 -3.79 0.00 0.00 0.45 0.00 0.00 54.58 51.24 2ncm n ASN 41 Cb 0.00 -0.49 -0.01 0.00 1.23 0.00 0.00 39.78 40.52 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 -0.87 0.10 6.08 8.20 0.00 -0.89 -5.14 105.19 112.67 2ncm n GLY 42 Ca 0.40 -0.02 0.01 0.00 0.00 0.00 0.00 46.02 46.42 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 -1.46 -0.19 -1.54 1.61 1.02 -0.93 -4.64 120.64 114.52 2ncm n GLU 43 Ca -0.00 0.13 -0.41 0.00 -0.02 0.00 0.00 57.16 56.86 2ncm n GLU 43 Cb 0.02 -0.23 -0.05 0.00 -0.02 0.00 0.00 31.44 31.15 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 -1.12 1.16 -2.84 3.49 4.81 -1.26 -1.32 118.16 121.09 2ncm n LYS 44 Ca 0.00 0.18 -0.34 0.00 -0.87 0.00 0.00 58.31 57.28 2ncm n LYS 44 Cb 0.04 -3.02 -0.07 0.00 0.02 0.00 0.00 35.03 32.01 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 10.07 4.04 0.70 3.14 0.05 -0.74 -4.96 118.68 130.98 2ncm s LEU 45 Ca 1.05 1.68 -0.14 0.00 0.05 0.00 0.00 54.13 56.77 2ncm s LEU 45 Cb -0.45 -4.37 0.02 0.00 -2.05 0.00 0.00 46.19 39.34 2ncm s LEU 45 CO 0.35 -0.28 1.13 -0.44 -0.55 0.00 0.00 176.35 176.56 2ncm s SER 46 N -2.06 4.72 0.29 1.48 0.01 -1.26 -4.84 113.70 112.03 2ncm s SER 46 Ca 0.59 2.08 0.20 0.00 1.31 0.00 0.00 55.95 60.13 2ncm s SER 46 Cb -0.11 -2.56 0.12 0.00 0.21 0.00 0.00 66.02 63.67 2ncm s SER 46 CO 0.16 -1.90 1.31 1.55 0.41 0.00 0.00 173.24 174.77 2ncm h PRO 47 N -0.25 0.00 -2.13 12.44 0.13 -1.91 -3.41 132.00 136.88 2ncm h PRO 47 Ca -0.46 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.09 2ncm h PRO 47 Cb 1.26 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 32.00 2ncm h PRO 47 CO 0.52 0.17 -1.05 0.27 -0.23 0.00 0.00 178.00 177.68 2ncm n ASN 48 N -3.00 0.05 -0.07 1.44 0.23 -1.26 -2.50 115.26 110.15 2ncm n ASN 48 Ca 0.01 -2.61 -0.11 0.00 -0.53 0.00 0.00 54.58 51.34 2ncm n ASN 48 Cb 0.63 -0.61 -0.04 0.00 -2.08 0.00 0.00 39.78 37.68 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 1.87 0.41 0.00 -3.83 10.64 -1.26 -5.10 117.38 120.12 2ncm n GLN 49 Ca 0.24 0.17 0.00 0.00 -1.83 0.00 0.00 57.00 55.58 2ncm n GLN 49 Cb 0.51 -1.21 0.00 0.00 -0.86 0.00 0.00 30.24 28.68 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 -4.15 0.00 -0.09 2.61 6.02 -1.26 -5.03 117.38 115.49 2ncm n GLN 50 Ca -0.19 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.68 2ncm n GLN 50 Cb 0.50 0.00 -0.15 0.00 1.02 0.00 0.00 30.24 31.61 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 -0.62 0.68 -3.03 -1.09 1.74 -1.26 -4.85 116.66 108.23 2ncm n ARG 51 Ca 0.00 0.09 -0.43 0.00 -0.77 0.00 0.00 57.85 56.74 2ncm n ARG 51 Cb 0.00 -1.58 -0.06 0.00 -1.02 0.00 0.00 32.46 29.81 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 4.69 -0.20 0.55 1.01 -1.26 -1.92 121.20 121.55 2ncm s ILE 52 Ca -0.15 0.03 -0.03 0.00 0.00 0.00 0.00 60.65 60.51 2ncm s ILE 52 Cb 0.07 -4.34 -0.01 0.00 0.01 0.00 0.00 42.46 38.19 2ncm s ILE 52 CO 0.78 -0.82 -0.07 -0.55 0.00 0.00 0.00 174.94 174.29 2ncm s SER 53 N 2.45 4.18 0.37 3.58 0.15 -0.19 -4.30 113.70 119.94 2ncm s SER 53 Ca 0.24 -0.40 -0.01 0.00 0.70 0.00 0.00 55.95 56.48 2ncm s SER 53 Cb -0.15 -1.70 -0.03 0.00 -1.71 0.00 0.00 66.02 62.43 2ncm s SER 53 CO 0.18 0.01 0.60 -0.69 1.20 0.00 0.00 173.24 174.54 2ncm s VAL 54 N 1.28 5.06 -0.09 4.45 1.01 -1.04 -1.73 120.40 129.35 2ncm s VAL 54 Ca 0.03 -0.31 -0.24 0.00 0.00 0.00 0.00 61.98 61.46 2ncm s VAL 54 Cb -0.14 -3.86 0.05 0.00 0.00 0.00 0.00 36.38 32.43 2ncm s VAL 54 CO -0.03 -0.62 0.56 0.54 0.00 0.00 0.00 175.10 175.55 2ncm s VAL 55 N -2.40 0.01 -0.12 2.92 0.11 -0.74 -4.90 120.40 115.28 2ncm s VAL 55 Ca 0.42 -0.12 0.01 0.00 -2.93 0.00 0.00 61.98 59.35 2ncm s VAL 55 Cb -0.10 -0.85 0.02 0.00 -1.53 0.00 0.00 36.38 33.92 2ncm s VAL 55 CO 0.38 -0.07 -0.14 0.26 -3.33 0.00 0.00 175.10 172.21 2ncm s TRP 56 N -0.80 1.94 0.00 1.54 0.51 -1.26 -1.03 118.94 119.84 2ncm s TRP 56 Ca -0.09 -0.98 0.00 0.00 -2.12 0.00 0.00 56.10 52.92 2ncm s TRP 56 Cb -0.03 -1.43 0.00 0.00 -0.81 0.00 0.00 33.47 31.20 2ncm s TRP 56 CO 0.06 -0.54 0.00 0.27 -0.51 0.00 0.00 176.95 176.23 2ncm n ASN 57 N 4.49 0.00 -3.09 2.95 0.23 -0.88 -5.02 115.26 113.93 2ncm n ASN 57 Ca -0.18 0.00 -0.08 0.00 -0.53 0.00 0.00 54.58 53.79 2ncm n ASN 57 Cb 0.51 0.00 0.08 0.00 -2.08 0.00 0.00 39.78 38.29 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 -1.91 -2.41 -0.35 0.53 8.00 -1.24 -4.85 116.55 114.31 2ncm n ASP 58 Ca 0.00 -0.24 0.08 0.00 0.71 0.00 0.00 54.79 55.34 2ncm n ASP 58 Cb 0.00 -0.29 0.25 0.00 -0.02 0.00 0.00 41.12 41.06 2ncm n ASP 58 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 2ncm h ASP 59 N -2.36 0.86 0.00 -2.24 1.82 -2.02 -3.33 116.42 109.15 2ncm h ASP 59 Ca -0.11 0.06 -0.04 0.00 -0.39 0.00 0.00 57.03 56.55 2ncm h ASP 59 Cb 0.36 -0.11 -0.07 0.00 0.68 0.00 0.00 39.33 40.20 2ncm h ASP 59 CO 0.06 0.42 -0.30 0.47 -1.61 0.00 0.00 179.24 178.29 2ncm n ASP 60 N -4.67 -0.08 -4.88 2.28 8.00 -1.26 -5.03 116.55 110.92 2ncm n ASP 60 Ca 0.20 -1.55 -0.36 0.00 0.71 0.00 0.00 54.79 53.78 2ncm n ASP 60 Cb 0.41 -0.03 -0.06 0.00 -0.02 0.00 0.00 41.12 41.42 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 -0.66 6.46 0.02 -2.24 1.04 -1.25 -4.54 113.70 112.53 2ncm s SER 61 Ca 0.04 0.54 0.00 0.00 0.48 0.00 0.00 55.95 57.01 2ncm s SER 61 Cb 0.04 -2.09 -0.00 0.00 0.10 0.00 0.00 66.02 64.07 2ncm s SER 61 CO -0.02 0.36 0.01 -1.20 0.98 0.00 0.00 173.24 173.37 2ncm n SER 62 N 1.72 0.46 -3.62 7.02 7.64 -0.91 -2.08 113.62 123.86 2ncm n SER 62 Ca -0.17 -1.13 -0.15 0.00 1.01 0.00 0.00 58.87 58.44 2ncm n SER 62 Cb 0.54 0.08 -0.07 0.00 -1.01 0.00 0.00 64.21 63.75 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 -0.57 0.44 2.01 -0.19 -2.01 115.64 113.48 2ncm s THR 63 Ca 0.02 -0.01 -0.02 0.00 0.31 0.00 0.00 61.69 61.99 2ncm s THR 63 Cb 0.00 -0.96 0.15 0.00 0.01 0.00 0.00 72.50 71.69 2ncm s THR 63 CO 0.01 -0.00 0.37 -0.22 -0.69 0.00 0.00 174.62 174.09 2ncm s LEU 64 N 0.04 5.18 0.10 4.42 0.20 -0.68 -1.79 118.68 126.15 2ncm s LEU 64 Ca -0.02 -2.67 -0.22 0.00 0.69 0.00 0.00 54.13 51.91 2ncm s LEU 64 Cb -0.04 -1.83 -0.07 0.00 -0.43 0.00 0.00 46.19 43.82 2ncm s LEU 64 CO 0.03 -0.40 0.67 -0.89 -0.29 0.00 0.00 176.35 175.47 2ncm s THR 65 N 0.21 4.61 -0.46 3.68 2.01 -0.70 -1.79 115.64 123.20 2ncm s THR 65 Ca 0.15 1.45 0.04 0.00 0.31 0.00 0.00 61.69 63.63 2ncm s THR 65 Cb -0.21 -4.02 0.16 0.00 0.01 0.00 0.00 72.50 68.45 2ncm s THR 65 CO -0.03 0.51 0.35 -0.63 -0.69 0.00 0.00 174.62 174.12 2ncm s ILE 66 N -0.91 0.90 0.14 1.82 1.01 -0.28 -1.03 121.20 122.84 2ncm s ILE 66 Ca 0.33 -2.84 -0.28 0.00 0.00 0.00 0.00 60.65 57.85 2ncm s ILE 66 Cb -0.21 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.61 2ncm s ILE 66 CO 0.22 -1.13 1.58 1.88 0.00 0.00 0.00 174.94 177.49 2ncm h TYR 67 N 5.85 -1.18 0.00 3.97 0.05 -1.66 -1.75 116.97 122.24 2ncm h TYR 67 Ca 0.20 0.05 0.00 0.00 0.05 0.00 0.00 58.73 59.03 2ncm h TYR 67 Cb 0.89 0.55 0.00 0.00 1.01 0.00 0.00 36.73 39.18 2ncm h TYR 67 CO 0.38 -0.46 0.00 -1.71 -1.05 0.00 0.00 178.16 175.32 2ncm n ASN 68 N -5.43 0.00 -0.43 3.88 4.05 -1.26 -1.74 115.26 114.33 2ncm n ASN 68 Ca -0.03 0.64 0.00 0.00 0.45 0.00 0.00 54.58 55.64 2ncm n ASN 68 Cb 0.36 -0.42 0.00 0.00 1.23 0.00 0.00 39.78 40.95 2ncm n ASN 68 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2ncm n ALA 69 N -1.75 -2.83 -2.20 5.20 0.00 -1.25 -1.76 120.51 115.91 2ncm n ALA 69 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 2ncm n ALA 69 Cb 0.00 -0.47 -0.09 0.00 0.00 0.00 0.00 19.45 18.88 2ncm n ALA 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ncm s ASN 70 N -0.09 0.40 0.59 0.00 2.20 -1.26 -2.96 114.94 113.82 2ncm s ASN 70 Ca 0.00 -0.91 0.29 0.00 -0.94 0.00 0.00 52.86 51.29 2ncm s ASN 70 Cb 0.00 0.23 1.43 0.00 -2.00 0.00 0.00 41.25 40.91 2ncm s ASN 70 CO 0.00 -0.63 1.84 0.16 -2.94 0.00 0.00 177.10 175.52 2ncm h ILE 71 N 3.05 0.32 -0.05 0.54 3.07 -1.94 0.14 117.51 122.65 2ncm h ILE 71 Ca -0.34 0.00 -0.25 0.00 1.55 0.00 0.00 64.86 65.82 2ncm h ILE 71 Cb 1.15 0.55 0.02 0.00 -0.27 0.00 0.00 36.82 38.27 2ncm h ILE 71 CO 0.64 0.00 -0.96 0.44 -1.05 0.00 0.00 178.15 177.21 2ncm h ASP 72 N 0.00 0.92 -0.02 2.16 3.32 -1.96 -3.18 116.42 117.66 2ncm h ASP 72 Ca 0.25 -0.69 -0.05 0.00 0.02 0.00 0.00 57.03 56.56 2ncm h ASP 72 Cb 1.38 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 2ncm h ASP 72 CO -0.00 1.49 -0.12 0.44 -1.72 0.00 0.00 179.24 179.33 2ncm h ASP 73 N 0.44 0.28 -1.24 6.45 5.19 -1.14 -3.43 116.42 122.97 2ncm h ASP 73 Ca -0.11 -0.06 -0.58 0.00 -0.62 0.00 0.00 57.03 55.66 2ncm h ASP 73 Cb 1.61 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 41.03 2ncm h ASP 73 CO 0.19 0.43 1.53 0.00 -3.12 0.00 0.00 179.24 178.27 2ncm n ALA 74 N -2.49 1.04 -3.98 3.45 0.00 -0.90 -4.83 120.51 112.80 2ncm n ALA 74 Ca -0.00 -0.35 0.05 0.00 0.00 0.00 0.00 53.44 53.14 2ncm n ALA 74 Cb 0.27 -2.75 0.01 0.00 0.00 0.00 0.00 19.45 16.98 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 8.98 -0.26 -0.72 0.00 0.00 0.12 -4.89 107.32 110.55 2ncm s GLY 75 Ca 1.08 0.27 -0.27 0.00 0.00 0.00 0.00 44.72 45.80 2ncm s GLY 75 CO 0.41 6.19 1.32 -0.42 0.00 0.00 0.00 173.10 180.59 2ncm s ILE 76 N -2.00 3.71 1.03 0.90 1.09 -1.26 -1.86 121.20 122.81 2ncm s ILE 76 Ca 0.30 0.43 -0.15 0.00 -1.10 0.00 0.00 60.65 60.14 2ncm s ILE 76 Cb 0.01 -4.83 0.20 0.00 -1.06 0.00 0.00 42.46 36.79 2ncm s ILE 76 CO -0.03 -1.75 1.13 -0.31 -0.10 0.00 0.00 174.94 173.88 2ncm s TYR 77 N 5.93 1.74 0.09 3.97 1.51 -0.71 -2.88 117.35 126.99 2ncm s TYR 77 Ca 0.38 0.75 0.02 0.00 -1.01 0.00 0.00 57.07 57.22 2ncm s TYR 77 Cb -0.08 -3.42 -0.04 0.00 -0.11 0.00 0.00 41.96 38.30 2ncm s TYR 77 CO 0.16 -3.01 -0.07 0.21 -1.11 0.00 0.00 175.55 171.73 2ncm s LYS 78 N -5.25 0.79 -0.30 -0.62 2.20 0.14 -2.02 119.74 114.67 2ncm s LYS 78 Ca 0.67 -1.21 -0.03 0.00 -0.36 0.00 0.00 55.97 55.05 2ncm s LYS 78 Cb -0.14 -0.28 0.11 0.00 -1.51 0.00 0.00 37.83 36.01 2ncm s LYS 78 CO 0.56 0.01 0.17 0.00 -0.36 0.00 0.00 175.35 175.73 2ncm s VAL 80 N 1.93 4.72 -0.06 0.00 1.01 -0.59 -0.89 120.40 126.52 2ncm s VAL 80 Ca 0.11 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.04 2ncm s VAL 80 Cb -0.17 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 2ncm s VAL 80 CO -0.29 0.50 -0.11 -0.69 0.00 0.00 0.00 175.10 174.52 2ncm s VAL 81 N 0.03 3.38 -0.05 2.92 1.01 -0.81 0.04 120.40 126.92 2ncm s VAL 81 Ca 0.05 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.46 2ncm s VAL 81 Cb -0.12 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.91 2ncm s VAL 81 CO 0.01 0.60 -0.14 -0.89 0.00 0.00 0.00 175.10 174.67 2ncm s THR 82 N -0.77 1.25 0.54 3.92 2.01 -0.63 -1.82 115.64 120.14 2ncm s THR 82 Ca 0.12 -0.58 -0.06 0.00 0.31 0.00 0.00 61.69 61.48 2ncm s THR 82 Cb -0.11 -1.10 0.12 0.00 0.01 0.00 0.00 72.50 71.42 2ncm s THR 82 CO 0.01 0.37 0.74 0.00 -0.69 0.00 0.00 174.62 175.05 2ncm n ALA 83 N 3.46 -0.48 0.03 7.40 0.00 -0.68 -0.77 120.51 129.47 2ncm n ALA 83 Ca -0.20 -1.14 -0.12 0.00 0.00 0.00 0.00 53.44 51.98 2ncm n ALA 83 Cb 0.53 0.06 -0.09 0.00 0.00 0.00 0.00 19.45 19.95 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 -0.14 0.00 0.00 4.57 -1.71 -3.28 114.58 114.02 2ncm h GLU 84 Ca -0.24 0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 57.91 2ncm h GLU 84 Cb 0.75 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.36 2ncm h GLU 84 CO 0.20 0.35 -0.18 0.38 -1.18 0.00 0.00 179.01 178.59 2ncm h ASP 85 N -0.76 0.00 0.00 1.04 2.03 -1.92 -3.46 116.42 113.35 2ncm h ASP 85 Ca -0.02 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.28 2ncm h ASP 85 Cb 0.56 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.06 2ncm h ASP 85 CO 0.02 0.18 0.00 0.61 -1.03 0.00 0.00 179.24 179.02 2ncm n GLY 86 N -0.97 0.14 3.62 7.15 0.00 -1.24 -5.10 105.19 108.79 2ncm n GLY 86 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.11 3.41 0.00 2.61 2.01 -1.26 -4.72 115.64 116.58 2ncm s THR 87 Ca 0.00 0.45 0.00 0.00 0.31 0.00 0.00 61.69 62.46 2ncm s THR 87 Cb 0.00 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 69.03 2ncm s THR 87 CO 0.00 -0.21 0.06 -1.10 -0.69 0.00 0.00 174.62 172.68 2ncm s GLN 88 N 5.18 2.97 -0.22 4.92 -0.21 -1.26 -1.68 119.66 129.34 2ncm s GLN 88 Ca 0.82 -0.54 -0.03 0.00 0.02 0.00 0.00 55.36 55.62 2ncm s GLN 88 Cb -0.29 -2.79 0.10 0.00 1.00 0.00 0.00 33.01 31.03 2ncm s GLN 88 CO 0.33 0.63 0.22 0.45 -2.12 0.00 0.00 175.29 174.80 2ncm s SER 89 N -1.75 1.69 0.53 5.90 0.15 -0.76 -5.00 113.70 114.46 2ncm s SER 89 Ca 0.22 -0.44 0.05 0.00 0.70 0.00 0.00 55.95 56.49 2ncm s SER 89 Cb -0.12 0.30 0.05 0.00 -1.71 0.00 0.00 66.02 64.54 2ncm s SER 89 CO 0.14 -0.35 0.42 -1.84 1.20 0.00 0.00 173.24 172.81 2ncm n GLU 90 N 5.31 0.71 -4.01 5.44 0.28 -1.26 -1.92 120.64 125.19 2ncm n GLU 90 Ca -0.05 -3.26 -0.12 0.00 -0.16 0.00 0.00 57.16 53.57 2ncm n GLU 90 Cb 0.48 0.30 -0.03 0.00 1.43 0.00 0.00 31.44 33.62 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 -2.75 0.18 0.05 -1.84 0.00 -0.07 -4.82 121.76 112.52 2ncm s ALA 91 Ca 0.32 -1.18 -0.10 0.00 0.00 0.00 0.00 51.96 51.00 2ncm s ALA 91 Cb -0.03 1.04 0.00 0.00 0.00 0.00 0.00 23.12 24.13 2ncm s ALA 91 CO 0.20 -0.85 0.21 0.95 0.00 0.00 0.00 175.76 176.27 2ncm s THR 92 N -3.18 0.11 -0.07 0.00 -4.23 -1.26 -1.87 115.64 105.14 2ncm s THR 92 Ca 0.25 -0.93 -0.03 0.00 -1.18 0.00 0.00 61.69 59.81 2ncm s THR 92 Cb -0.01 -1.00 0.04 0.00 1.34 0.00 0.00 72.50 72.86 2ncm s THR 92 CO 0.15 -0.51 0.06 0.54 -0.54 0.00 0.00 174.62 174.32 2ncm s VAL 93 N -2.83 -0.06 -0.83 2.29 0.11 -0.86 -4.72 120.40 113.50 2ncm s VAL 93 Ca -0.03 0.27 -0.25 0.00 -2.93 0.00 0.00 61.98 59.04 2ncm s VAL 93 Cb 0.00 -0.28 -0.02 0.00 -1.53 0.00 0.00 36.38 34.55 2ncm s VAL 93 CO -0.05 0.09 1.82 0.21 -3.33 0.00 0.00 175.10 173.84 2ncm s ASN 94 N 2.15 5.40 -0.32 3.54 2.47 -0.66 -1.74 114.94 125.77 2ncm s ASN 94 Ca 0.04 -0.48 -0.16 0.00 0.42 0.00 0.00 52.86 52.68 2ncm s ASN 94 Cb -0.13 -2.55 -0.02 0.00 -1.45 0.00 0.00 41.25 37.10 2ncm s ASN 94 CO -0.04 -2.44 0.42 -0.69 -3.72 0.00 0.00 177.10 170.62 2ncm s VAL 95 N 8.94 5.12 0.07 -5.21 1.01 -0.78 -1.55 120.40 128.00 2ncm s VAL 95 Ca 0.64 0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.94 2ncm s VAL 95 Cb -0.08 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 2ncm s VAL 95 CO 0.05 -0.06 0.17 -0.54 0.00 0.00 0.00 175.10 174.72 2ncm s LYS 96 N 2.16 3.25 -0.04 2.72 1.02 -0.77 0.12 119.74 128.20 2ncm s LYS 96 Ca 0.15 -0.54 -0.01 0.00 0.02 0.00 0.00 55.97 55.59 2ncm s LYS 96 Cb -0.16 -2.93 0.03 0.00 -0.52 0.00 0.00 37.83 34.26 2ncm s LYS 96 CO 0.12 0.59 0.08 0.42 -0.92 0.00 0.00 175.35 175.64 2ncm s ILE 97 N -1.49 -0.05 -0.12 2.17 1.01 -1.25 -1.82 121.20 119.65 2ncm s ILE 97 Ca 0.33 0.18 0.02 0.00 0.00 0.00 0.00 60.65 61.19 2ncm s ILE 97 Cb -0.13 -0.15 -0.00 0.00 0.01 0.00 0.00 42.46 42.19 2ncm s ILE 97 CO 0.26 0.08 -0.20 0.72 0.00 0.00 0.00 174.94 175.80 2ncm s PHE 98 N 1.02 2.67 -2.31 3.97 -0.71 -0.78 -4.68 117.98 117.16 2ncm s PHE 98 Ca -0.08 -0.95 0.30 0.00 -1.04 0.00 0.00 56.93 55.16 2ncm s PHE 98 Cb -0.11 -1.78 1.38 0.00 -1.21 0.00 0.00 43.02 41.30 2ncm s PHE 98 CO -0.04 -0.38 1.93 0.94 -1.34 0.00 0.00 175.22 176.34