#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 -0.01 -3.68 8.89 0.24 -1.26 -5.03 118.33 117.49 2ncm n VAL 2 Ca 0.00 -3.55 -0.13 0.00 -2.04 0.00 0.00 64.34 58.62 2ncm n VAL 2 Cb 0.00 0.32 -0.13 0.00 -1.47 0.00 0.00 33.84 32.56 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 -2.49 -0.19 -0.00 1.34 1.02 -1.23 -3.63 118.68 113.50 2ncm s LEU 3 Ca 0.34 0.61 0.00 0.00 0.02 0.00 0.00 54.13 55.10 2ncm s LEU 3 Cb 0.35 0.76 -0.00 0.00 0.02 0.00 0.00 46.19 47.32 2ncm s LEU 3 CO -0.06 -0.22 -0.01 -1.58 0.02 0.00 0.00 176.35 174.50 2ncm s GLN 4 N 2.20 0.06 -0.07 1.70 -0.44 0.19 -4.91 119.66 118.39 2ncm s GLN 4 Ca -0.01 -0.03 -0.07 0.00 -2.50 0.00 0.00 55.36 52.75 2ncm s GLN 4 Cb -0.12 -0.05 0.02 0.00 -1.64 0.00 0.00 33.01 31.22 2ncm s GLN 4 CO -0.09 0.01 0.19 0.08 0.50 0.00 0.00 175.29 175.98 2ncm s VAL 5 N -0.04 0.00 -0.29 1.34 1.01 -1.26 -1.82 120.40 119.34 2ncm s VAL 5 Ca -0.00 -0.03 -0.14 0.00 0.00 0.00 0.00 61.98 61.82 2ncm s VAL 5 Cb -0.00 -0.28 0.10 0.00 0.00 0.00 0.00 36.38 36.20 2ncm s VAL 5 CO -0.00 -0.02 0.69 -1.81 0.00 0.00 0.00 175.10 173.96 2ncm s ASP 6 N 0.04 -1.01 -0.07 3.32 1.01 -0.73 -4.84 116.67 114.39 2ncm s ASP 6 Ca -0.01 1.51 -0.13 0.00 0.71 0.00 0.00 52.55 54.63 2ncm s ASP 6 Cb -0.02 1.76 -0.05 0.00 1.01 0.00 0.00 42.92 45.62 2ncm s ASP 6 CO 0.00 -0.23 0.32 -0.63 0.21 0.00 0.00 175.17 174.85 2ncm s ILE 7 N 2.15 5.21 -0.08 0.77 1.01 -1.26 -1.55 121.20 127.45 2ncm s ILE 7 Ca -0.08 0.63 0.03 0.00 0.00 0.00 0.00 60.65 61.23 2ncm s ILE 7 Cb -0.08 -3.62 0.01 0.00 0.01 0.00 0.00 42.46 38.78 2ncm s ILE 7 CO -0.19 0.54 -0.19 -0.69 0.00 0.00 0.00 174.94 174.41 2ncm s VAL 8 N -0.69 1.64 0.88 2.92 1.01 -0.65 -3.78 120.40 121.73 2ncm s VAL 8 Ca 0.20 -0.78 -0.12 0.00 0.00 0.00 0.00 61.98 61.28 2ncm s VAL 8 Cb -0.15 -1.45 0.12 0.00 0.00 0.00 0.00 36.38 34.91 2ncm s VAL 8 CO 0.09 0.47 1.13 -2.16 0.00 0.00 0.00 175.10 174.63 2ncm s PRO 9 N 0.48 1.38 0.09 2.72 0.04 -1.26 -1.72 135.00 136.73 2ncm s PRO 9 Ca -0.17 0.35 -0.17 0.00 0.04 0.00 0.00 61.00 61.06 2ncm s PRO 9 Cb -0.17 -1.86 -0.07 0.00 0.04 0.00 0.00 34.50 32.44 2ncm s PRO 9 CO 0.07 -2.04 1.49 0.66 0.04 0.00 0.00 177.00 177.21 2ncm h SER 10 N -1.39 0.57 -3.25 6.66 4.64 -1.95 -3.41 113.55 115.42 2ncm h SER 10 Ca -0.50 -0.36 -0.54 0.00 -0.47 0.00 0.00 61.79 59.92 2ncm h SER 10 Cb 1.32 -0.15 -0.40 0.00 -0.31 0.00 0.00 62.40 62.86 2ncm h SER 10 CO 0.62 0.80 -0.76 0.00 -0.87 0.00 0.00 176.83 176.61 2ncm s GLN 11 N -4.77 0.72 0.55 4.77 -2.07 -1.26 -1.66 119.66 115.93 2ncm s GLN 11 Ca -0.13 -0.62 -0.08 0.00 -1.82 0.00 0.00 55.36 52.71 2ncm s GLN 11 Cb 0.08 -2.07 -0.03 0.00 -1.09 0.00 0.00 33.01 29.90 2ncm s GLN 11 CO 0.78 -0.74 0.89 0.20 -1.32 0.00 0.00 175.29 175.10 2ncm s GLY 12 N 1.78 1.57 -0.28 2.60 0.00 0.11 -4.94 107.32 108.15 2ncm s GLY 12 Ca 0.02 -0.36 0.01 0.00 0.00 0.00 0.00 44.72 44.39 2ncm s GLY 12 CO -0.13 -0.15 0.47 -0.54 0.00 0.00 0.00 173.10 172.75 2ncm s GLU 13 N -4.94 0.45 0.21 2.90 2.02 -1.26 -0.68 118.70 117.41 2ncm s GLU 13 Ca 0.51 0.44 0.06 0.00 0.02 0.00 0.00 54.97 56.00 2ncm s GLU 13 Cb -0.11 -0.10 -0.05 0.00 0.10 0.00 0.00 34.13 33.98 2ncm s GLU 13 CO 0.48 -0.89 -0.09 0.42 0.02 0.00 0.00 175.26 175.20 2ncm s ILE 14 N 2.65 1.46 0.21 -1.63 1.09 -0.87 -4.99 121.20 119.12 2ncm s ILE 14 Ca 0.12 -2.13 -0.03 0.00 -1.10 0.00 0.00 60.65 57.51 2ncm s ILE 14 Cb -0.13 -2.12 -0.05 0.00 -1.06 0.00 0.00 42.46 39.10 2ncm s ILE 14 CO -0.25 -0.53 0.44 -0.94 -0.10 0.00 0.00 174.94 173.56 2ncm s SER 15 N -3.30 6.44 0.34 3.58 1.04 -1.26 -1.84 113.70 118.70 2ncm s SER 15 Ca 0.23 0.56 -0.29 0.00 0.48 0.00 0.00 55.95 56.93 2ncm s SER 15 Cb 0.02 -2.08 -0.11 0.00 0.10 0.00 0.00 66.02 63.96 2ncm s SER 15 CO 0.07 -0.06 1.37 -0.69 0.98 0.00 0.00 173.24 174.90 2ncm s VAL 16 N -1.86 2.51 0.00 5.02 1.01 -0.83 -2.07 120.40 124.16 2ncm s VAL 16 Ca 0.41 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.90 2ncm s VAL 16 Cb -0.11 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 32.94 2ncm s VAL 16 CO 0.28 0.12 0.00 0.61 0.00 0.00 0.00 175.10 176.11 2ncm n GLY 17 N 0.74 3.22 3.96 4.51 0.00 -0.62 -5.03 105.19 111.96 2ncm n GLY 17 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.81 3.40 0.36 1.61 0.41 -0.88 -4.80 118.70 117.98 2ncm s GLU 18 Ca 0.00 -0.55 0.02 0.00 -0.41 0.00 0.00 54.97 54.03 2ncm s GLU 18 Cb 0.00 -2.75 -0.02 0.00 -1.78 0.00 0.00 34.13 29.59 2ncm s GLU 18 CO 0.00 0.20 0.54 -1.54 -0.49 0.00 0.00 175.26 173.97 2ncm s SER 19 N -4.04 6.08 -0.25 -0.19 1.04 -0.86 -3.69 113.70 111.78 2ncm s SER 19 Ca 0.39 0.20 -0.05 0.00 0.48 0.00 0.00 55.95 56.97 2ncm s SER 19 Cb -0.09 -1.68 0.13 0.00 0.10 0.00 0.00 66.02 64.48 2ncm s SER 19 CO 0.33 -0.42 0.49 -1.59 0.98 0.00 0.00 173.24 173.03 2ncm s LYS 20 N -4.31 0.43 -0.06 4.02 -2.85 -0.60 -4.96 119.74 111.42 2ncm s LYS 20 Ca 0.43 0.97 0.02 0.00 -1.00 0.00 0.00 55.97 56.39 2ncm s LYS 20 Cb -0.10 0.26 -0.03 0.00 -2.06 0.00 0.00 37.83 35.91 2ncm s LYS 20 CO 0.34 -0.43 -0.08 -0.59 0.10 0.00 0.00 175.35 174.69 2ncm s PHE 21 N 2.70 2.89 -0.24 1.78 -0.12 -1.26 -1.22 117.98 122.51 2ncm s PHE 21 Ca 0.06 -0.02 0.00 0.00 -0.05 0.00 0.00 56.93 56.93 2ncm s PHE 21 Cb -0.14 -1.68 0.04 0.00 -0.63 0.00 0.00 43.02 40.60 2ncm s PHE 21 CO -0.16 0.31 -0.11 -0.06 -0.05 0.00 0.00 175.22 175.15 2ncm s PHE 22 N -0.81 3.06 -0.47 3.49 0.40 -0.79 -4.78 117.98 118.09 2ncm s PHE 22 Ca 0.13 -1.82 -0.29 0.00 -0.60 0.00 0.00 56.93 54.34 2ncm s PHE 22 Cb -0.11 -1.99 0.03 0.00 0.51 0.00 0.00 43.02 41.46 2ncm s PHE 22 CO 0.02 -0.80 1.14 -1.17 0.70 0.00 0.00 175.22 175.11 2ncm s LEU 23 N 1.25 3.65 -0.70 -0.37 2.96 -0.70 -1.83 118.68 122.94 2ncm s LEU 23 Ca -0.02 0.51 -0.19 0.00 -0.22 0.00 0.00 54.13 54.21 2ncm s LEU 23 Cb -0.17 -3.55 0.11 0.00 0.50 0.00 0.00 46.19 43.08 2ncm s LEU 23 CO -0.07 -1.23 0.85 0.00 -1.32 0.00 0.00 176.35 174.59 2ncm s GLN 25 N 2.77 3.05 0.31 0.00 -0.21 -0.60 -1.92 119.66 123.06 2ncm s GLN 25 Ca 0.19 -0.03 -0.04 0.00 0.02 0.00 0.00 55.36 55.50 2ncm s GLN 25 Cb -0.17 -2.33 -0.01 0.00 1.00 0.00 0.00 33.01 31.50 2ncm s GLN 25 CO 0.03 -0.56 0.43 0.14 -2.12 0.00 0.00 175.29 173.20 2ncm s VAL 26 N -2.89 0.00 -0.26 1.09 -7.23 -1.26 -1.78 120.40 108.07 2ncm s VAL 26 Ca 0.52 -1.63 -0.14 0.00 -1.81 0.00 0.00 61.98 58.92 2ncm s VAL 26 Cb -0.10 -2.53 0.08 0.00 0.56 0.00 0.00 36.38 34.38 2ncm s VAL 26 CO 0.44 0.00 0.62 0.00 -0.31 0.00 0.00 175.10 175.86 2ncm s ALA 27 N -3.38 -1.71 0.00 1.32 0.00 -0.76 -4.93 121.76 112.31 2ncm s ALA 27 Ca 0.30 2.22 0.00 0.00 0.00 0.00 0.00 51.96 54.49 2ncm s ALA 27 Cb 0.01 -1.35 0.00 0.00 0.00 0.00 0.00 23.12 21.78 2ncm s ALA 27 CO 0.18 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 175.95 2ncm n GLY 28 N 4.40 4.51 2.73 0.00 0.00 -1.26 0.56 105.19 116.13 2ncm n GLY 28 Ca -0.20 -1.25 -0.26 0.00 0.00 0.00 0.00 46.02 44.30 2ncm n GLY 28 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ncm n ASP 29 N 0.00 4.40 -3.80 1.61 5.68 -1.25 -4.89 116.55 118.31 2ncm n ASP 29 Ca 0.00 -3.66 -0.42 0.00 -0.50 0.00 0.00 54.79 50.21 2ncm n ASP 29 Cb 0.00 -0.52 0.00 0.00 -1.14 0.00 0.00 41.12 39.46 2ncm n ASP 29 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2ncm n ALA 30 N -0.32 5.62 -0.94 2.12 0.00 -1.24 -4.91 120.51 120.84 2ncm n ALA 30 Ca 0.34 -4.28 0.00 0.00 0.00 0.00 0.00 53.44 49.50 2ncm n ALA 30 Cb 0.52 -2.95 0.00 0.00 0.00 0.00 0.00 19.45 17.01 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 3.52 0.00 -5.09 0.00 4.01 -1.26 -4.13 118.16 115.21 2ncm n LYS 31 Ca 0.44 0.00 -0.28 0.00 -0.51 0.00 0.00 58.31 57.95 2ncm n LYS 31 Cb 0.34 0.00 -0.16 0.00 -0.51 0.00 0.00 35.03 34.71 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 -4.00 2.64 -0.47 4.39 1.01 -1.26 -5.03 116.67 113.95 2ncm s ASP 32 Ca 0.00 -0.41 0.03 0.00 0.71 0.00 0.00 52.55 52.88 2ncm s ASP 32 Cb 0.00 -0.29 0.13 0.00 1.01 0.00 0.00 42.92 43.77 2ncm s ASP 32 CO 0.00 0.27 0.24 -0.54 0.21 0.00 0.00 175.17 175.36 2ncm s LYS 33 N -0.56 1.60 0.58 8.23 -0.14 -1.26 -3.63 119.74 124.56 2ncm s LYS 33 Ca 0.09 -2.28 -0.16 0.00 -1.36 0.00 0.00 55.97 52.26 2ncm s LYS 33 Cb -0.09 -2.79 -0.04 0.00 -1.68 0.00 0.00 37.83 33.23 2ncm s LYS 33 CO -0.01 -1.13 1.06 -0.51 -0.76 0.00 0.00 175.35 174.00 2ncm s ASP 34 N 0.08 5.80 0.04 2.83 1.11 -0.71 -4.84 116.67 120.97 2ncm s ASP 34 Ca 0.17 1.86 0.07 0.00 0.18 0.00 0.00 52.55 54.83 2ncm s ASP 34 Cb -0.25 -2.54 -0.02 0.00 1.07 0.00 0.00 42.92 41.18 2ncm s ASP 34 CO 0.00 -1.16 -0.19 -0.63 1.18 0.00 0.00 175.17 174.37 2ncm s ILE 35 N -2.35 1.55 0.01 0.77 1.09 -1.26 -1.99 121.20 119.01 2ncm s ILE 35 Ca 0.65 -1.12 -0.06 0.00 -1.10 0.00 0.00 60.65 59.01 2ncm s ILE 35 Cb -0.17 -1.35 -0.00 0.00 -1.06 0.00 0.00 42.46 39.88 2ncm s ILE 35 CO 0.35 0.19 0.11 -0.44 -0.10 0.00 0.00 174.94 175.05 2ncm s SER 36 N -1.10 0.06 -0.12 3.58 0.01 0.24 -4.98 113.70 111.38 2ncm s SER 36 Ca 0.06 -0.25 0.01 0.00 1.31 0.00 0.00 55.95 57.08 2ncm s SER 36 Cb -0.08 0.19 0.02 0.00 0.21 0.00 0.00 66.02 66.35 2ncm s SER 36 CO 0.01 -0.36 -0.13 0.26 0.41 0.00 0.00 173.24 173.43 2ncm s TRP 37 N -1.40 1.95 -0.24 2.43 0.52 -1.26 -1.27 118.94 119.67 2ncm s TRP 37 Ca -0.15 -1.00 0.02 0.00 0.02 0.00 0.00 56.10 54.99 2ncm s TRP 37 Cb -0.08 -1.45 0.05 0.00 -1.15 0.00 0.00 33.47 30.84 2ncm s TRP 37 CO 0.01 -0.56 -0.12 -0.06 0.02 0.00 0.00 176.95 176.24 2ncm s PHE 38 N 1.32 3.14 0.63 -1.98 0.40 -0.83 -1.82 117.98 118.85 2ncm s PHE 38 Ca 0.00 -2.10 -0.18 0.00 -0.60 0.00 0.00 56.93 54.05 2ncm s PHE 38 Cb -0.14 -1.94 -0.03 0.00 0.51 0.00 0.00 43.02 41.42 2ncm s PHE 38 CO -0.06 -0.85 1.00 0.43 0.70 0.00 0.00 175.22 176.43 2ncm n SER 39 N 4.50 0.83 0.00 1.36 7.64 -0.36 -0.09 113.62 127.50 2ncm n SER 39 Ca -0.16 0.78 0.00 0.00 1.01 0.00 0.00 58.87 60.50 2ncm n SER 39 Cb 0.44 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.23 2ncm n SER 39 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 2ncm n PRO 40 N -1.29 0.00 -1.62 1.43 -0.01 -1.22 -2.01 135.00 130.28 2ncm n PRO 40 Ca 0.14 0.49 -0.15 0.00 -0.01 0.00 0.00 63.50 63.97 2ncm n PRO 40 Cb 0.48 -0.78 0.08 0.00 -0.01 0.00 0.00 33.50 33.27 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 -2.03 3.92 -0.00 2.55 4.05 -1.26 -4.62 115.26 117.87 2ncm n ASN 41 Ca 0.00 -3.76 0.01 0.00 0.45 0.00 0.00 54.58 51.29 2ncm n ASN 41 Cb 0.00 -0.40 -0.02 0.00 1.23 0.00 0.00 39.78 40.60 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 0.13 3.77 8.20 0.00 -0.85 -5.14 105.19 110.48 2ncm n GLY 42 Ca 0.36 -0.06 0.04 0.00 0.00 0.00 0.00 46.02 46.36 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 -1.44 -0.53 -1.49 1.61 1.02 -0.94 -4.72 120.64 114.16 2ncm n GLU 43 Ca -0.00 0.35 -0.48 0.00 -0.02 0.00 0.00 57.16 57.00 2ncm n GLU 43 Cb 0.06 -0.64 -0.06 0.00 -0.02 0.00 0.00 31.44 30.78 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 -1.44 1.35 -3.01 3.49 4.81 -1.26 -1.22 118.16 120.88 2ncm n LYS 44 Ca 0.00 0.37 -0.37 0.00 -0.87 0.00 0.00 58.31 57.44 2ncm n LYS 44 Cb 0.12 -2.69 -0.06 0.00 0.02 0.00 0.00 35.03 32.42 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 7.55 4.42 0.58 3.14 0.05 -0.75 -4.92 118.68 128.75 2ncm s LEU 45 Ca 1.07 1.56 -0.19 0.00 0.05 0.00 0.00 54.13 56.62 2ncm s LEU 45 Cb -0.70 -3.56 -0.04 0.00 -2.05 0.00 0.00 46.19 39.83 2ncm s LEU 45 CO 0.45 0.07 1.19 -0.44 -0.55 0.00 0.00 176.35 177.07 2ncm s SER 46 N -1.48 5.30 0.21 1.48 0.01 -1.26 -4.83 113.70 113.13 2ncm s SER 46 Ca 0.42 2.33 0.26 0.00 1.31 0.00 0.00 55.95 60.27 2ncm s SER 46 Cb -0.19 -2.59 0.83 0.00 0.21 0.00 0.00 66.02 64.27 2ncm s SER 46 CO 0.23 -1.51 1.77 -0.81 0.41 0.00 0.00 173.24 173.33 2ncm n PRO 47 N -1.55 0.26 -2.32 12.44 -0.04 -1.26 -3.89 135.00 138.63 2ncm n PRO 47 Ca 0.13 0.23 -0.02 0.00 -0.04 0.00 0.00 63.50 63.80 2ncm n PRO 47 Cb 0.50 -1.81 0.05 0.00 -0.04 0.00 0.00 33.50 32.20 2ncm n PRO 47 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2ncm n ASN 48 N -2.26 1.88 0.00 3.54 0.23 -1.26 -2.57 115.26 114.83 2ncm n ASN 48 Ca 0.05 -2.33 0.00 0.00 -0.53 0.00 0.00 54.58 51.77 2ncm n ASN 48 Cb 0.41 -0.42 0.00 0.00 -2.08 0.00 0.00 39.78 37.69 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 -0.39 0.00 0.00 -3.83 10.64 -1.25 -5.00 117.38 117.55 2ncm n GLN 49 Ca 0.12 0.24 0.00 0.00 -1.83 0.00 0.00 57.00 55.53 2ncm n GLN 49 Cb 0.90 -1.21 0.00 0.00 -0.86 0.00 0.00 30.24 29.06 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 -1.22 0.00 -0.10 2.61 6.02 -1.26 -5.00 117.38 118.42 2ncm n GLN 50 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.88 2ncm n GLN 50 Cb 0.00 0.00 -0.15 0.00 1.02 0.00 0.00 30.24 31.11 2ncm n GLN 50 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2ncm n ARG 51 N -1.70 0.68 -2.94 -1.09 1.74 -1.26 -4.84 116.66 107.25 2ncm n ARG 51 Ca 0.00 0.02 -0.43 0.00 -0.77 0.00 0.00 57.85 56.67 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 -2.50 4.54 -0.23 0.55 1.01 -1.26 -1.90 121.20 121.41 2ncm s ILE 52 Ca -0.13 -0.07 -0.06 0.00 0.00 0.00 0.00 60.65 60.39 2ncm s ILE 52 Cb 0.06 -4.48 -0.02 0.00 0.01 0.00 0.00 42.46 38.03 2ncm s ILE 52 CO 0.80 -1.06 0.02 -0.55 0.00 0.00 0.00 174.94 174.15 2ncm s SER 53 N 2.92 4.80 0.25 3.58 0.15 0.03 -4.15 113.70 121.27 2ncm s SER 53 Ca 0.24 -0.27 -0.04 0.00 0.70 0.00 0.00 55.95 56.58 2ncm s SER 53 Cb -0.15 -1.85 -0.05 0.00 -1.71 0.00 0.00 66.02 62.26 2ncm s SER 53 CO 0.15 -0.02 0.49 -0.69 1.20 0.00 0.00 173.24 174.37 2ncm s VAL 54 N 1.51 5.09 0.29 4.45 1.01 -1.06 -1.71 120.40 129.98 2ncm s VAL 54 Ca 0.06 -0.06 -0.09 0.00 0.00 0.00 0.00 61.98 61.88 2ncm s VAL 54 Cb -0.15 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.52 2ncm s VAL 54 CO 0.01 -0.23 0.49 0.68 0.00 0.00 0.00 175.10 176.05 2ncm s VAL 55 N -1.97 0.00 -0.06 2.92 -7.23 -0.69 -4.90 120.40 108.47 2ncm s VAL 55 Ca 0.42 -1.46 -0.03 0.00 -1.81 0.00 0.00 61.98 59.11 2ncm s VAL 55 Cb -0.11 -2.42 0.04 0.00 0.56 0.00 0.00 36.38 34.45 2ncm s VAL 55 CO 0.29 0.00 0.11 0.26 -0.31 0.00 0.00 175.10 175.45 2ncm s TRP 56 N -3.56 -0.07 0.00 2.82 0.51 -1.26 -1.76 118.94 115.62 2ncm s TRP 56 Ca 0.25 0.45 0.00 0.00 -2.12 0.00 0.00 56.10 54.68 2ncm s TRP 56 Cb -0.01 -0.36 0.00 0.00 -0.81 0.00 0.00 33.47 32.29 2ncm s TRP 56 CO 0.13 -0.23 0.00 0.27 -0.51 0.00 0.00 176.95 176.61 2ncm n ASN 57 N 5.30 0.00 -0.18 2.95 0.23 -0.86 -4.89 115.26 117.80 2ncm n ASN 57 Ca -0.04 0.00 -0.07 0.00 -0.53 0.00 0.00 54.58 53.94 2ncm n ASN 57 Cb 0.50 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.14 2ncm n ASN 57 CO 0.00 0.00 0.00 -0.78 -0.93 0.00 0.00 177.26 175.55 2ncm h ASP 58 N 0.00 -1.14 0.00 0.53 1.82 -1.99 -3.46 116.42 112.18 2ncm h ASP 58 Ca 0.00 0.17 0.00 0.00 -0.39 0.00 0.00 57.03 56.81 2ncm h ASP 58 Cb 0.00 0.49 0.00 0.00 0.68 0.00 0.00 39.33 40.50 2ncm h ASP 58 CO 0.00 -0.16 0.00 0.47 -1.61 0.00 0.00 179.24 177.94 2ncm n ASP 59 N -4.22 0.00 -0.03 2.28 8.00 -1.26 -4.95 116.55 116.36 2ncm n ASP 59 Ca 0.00 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.46 2ncm n ASP 59 Cb 0.16 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.22 2ncm n ASP 59 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2ncm n ASP 60 N 0.00 3.55 -4.75 -2.24 8.00 -1.26 -5.03 116.55 114.82 2ncm n ASP 60 Ca 0.00 -0.02 -0.41 0.00 0.71 0.00 0.00 54.79 55.07 2ncm n ASP 60 Cb 0.00 0.20 -0.02 0.00 -0.02 0.00 0.00 41.12 41.28 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 -4.24 6.67 0.18 -2.24 0.15 -1.26 -4.86 113.70 108.10 2ncm s SER 61 Ca -0.06 2.70 0.00 0.00 0.70 0.00 0.00 55.95 59.29 2ncm s SER 61 Cb 0.02 -2.63 -0.00 0.00 -1.71 0.00 0.00 66.02 61.69 2ncm s SER 61 CO 0.18 -0.66 0.01 -1.20 1.20 0.00 0.00 173.24 172.78 2ncm n SER 62 N 1.73 2.15 -3.66 5.45 7.64 -0.81 -2.04 113.62 124.08 2ncm n SER 62 Ca 0.04 -1.84 -0.09 0.00 1.01 0.00 0.00 58.87 58.00 2ncm n SER 62 Cb 0.41 0.20 -0.09 0.00 -1.01 0.00 0.00 64.21 63.72 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 -1.80 -0.01 -0.72 0.44 2.01 -0.72 -1.72 115.64 113.11 2ncm s THR 63 Ca 0.02 0.04 -0.13 0.00 0.31 0.00 0.00 61.69 61.92 2ncm s THR 63 Cb 0.00 -0.84 0.19 0.00 0.01 0.00 0.00 72.50 71.86 2ncm s THR 63 CO 0.01 0.01 0.65 -0.22 -0.69 0.00 0.00 174.62 174.39 2ncm s LEU 64 N 1.45 6.44 0.08 4.42 0.20 -0.76 -1.71 118.68 128.80 2ncm s LEU 64 Ca -0.09 -2.45 -0.21 0.00 0.69 0.00 0.00 54.13 52.08 2ncm s LEU 64 Cb -0.06 -2.17 -0.07 0.00 -0.43 0.00 0.00 46.19 43.46 2ncm s LEU 64 CO -0.16 -0.63 0.61 -0.89 -0.29 0.00 0.00 176.35 175.00 2ncm s THR 65 N 0.56 4.70 -0.43 3.68 2.01 -0.69 -1.88 115.64 123.58 2ncm s THR 65 Ca 0.14 1.32 0.03 0.00 0.31 0.00 0.00 61.69 63.48 2ncm s THR 65 Cb -0.17 -3.95 0.15 0.00 0.01 0.00 0.00 72.50 68.55 2ncm s THR 65 CO -0.05 0.52 0.30 -0.63 -0.69 0.00 0.00 174.62 174.07 2ncm s ILE 66 N -0.95 0.81 0.11 1.82 1.01 -0.36 -0.79 121.20 122.85 2ncm s ILE 66 Ca 0.31 -2.55 -0.34 0.00 0.00 0.00 0.00 60.65 58.07 2ncm s ILE 66 Cb -0.20 -1.57 -0.13 0.00 0.01 0.00 0.00 42.46 40.57 2ncm s ILE 66 CO 0.20 -1.07 1.56 1.88 0.00 0.00 0.00 174.94 177.51 2ncm h TYR 67 N 6.24 -1.52 0.36 3.97 0.05 -1.67 -1.59 116.97 122.81 2ncm h TYR 67 Ca 0.13 0.05 -0.02 0.00 0.05 0.00 0.00 58.73 58.94 2ncm h TYR 67 Cb 0.91 0.66 0.00 0.00 1.01 0.00 0.00 36.73 39.32 2ncm h TYR 67 CO 0.41 -0.57 -0.17 -0.97 -1.05 0.00 0.00 178.16 175.81 2ncm h ASN 68 N -0.67 -0.41 -3.46 3.88 -1.24 -1.78 -2.29 115.58 109.60 2ncm h ASN 68 Ca 0.02 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.04 2ncm h ASN 68 Cb 0.72 0.11 0.00 0.00 0.73 0.00 0.00 38.32 39.88 2ncm h ASN 68 CO -0.35 -0.25 -0.30 0.00 -1.29 0.00 0.00 177.43 175.24 2ncm n ALA 69 N -2.31 -2.70 -2.54 1.57 0.00 -1.24 -1.59 120.51 111.70 2ncm n ALA 69 Ca -0.06 0.15 -0.09 0.00 0.00 0.00 0.00 53.44 53.44 2ncm n ALA 69 Cb 0.19 -0.76 -0.08 0.00 0.00 0.00 0.00 19.45 18.80 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 -0.17 0.13 0.57 0.00 2.20 -1.26 -2.69 114.94 113.72 2ncm s ASN 70 Ca 0.00 -0.94 0.27 0.00 -0.94 0.00 0.00 52.86 51.26 2ncm s ASN 70 Cb 0.00 0.39 1.52 0.00 -2.00 0.00 0.00 41.25 41.15 2ncm s ASN 70 CO 0.00 -0.83 2.01 0.16 -2.94 0.00 0.00 177.10 175.50 2ncm h ILE 71 N 2.66 0.53 -0.10 0.54 3.07 -1.93 0.17 117.51 122.44 2ncm h ILE 71 Ca -0.33 0.00 -0.20 0.00 1.55 0.00 0.00 64.86 65.88 2ncm h ILE 71 Cb 1.22 0.74 0.00 0.00 -0.27 0.00 0.00 36.82 38.51 2ncm h ILE 71 CO 0.52 0.00 -0.75 0.44 -1.05 0.00 0.00 178.15 177.31 2ncm h ASP 72 N 0.00 0.63 0.07 2.16 3.32 -1.96 -3.13 116.42 117.51 2ncm h ASP 72 Ca 0.17 -0.41 -0.10 0.00 0.02 0.00 0.00 57.03 56.71 2ncm h ASP 72 Cb 0.85 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 2ncm h ASP 72 CO -0.00 1.17 -0.33 0.44 -1.72 0.00 0.00 179.24 178.80 2ncm h ASP 73 N 0.36 0.39 -1.77 6.45 5.19 -1.38 -3.44 116.42 122.21 2ncm h ASP 73 Ca -0.04 -0.15 -0.64 0.00 -0.62 0.00 0.00 57.03 55.58 2ncm h ASP 73 Cb 1.34 -0.11 0.01 0.00 0.18 0.00 0.00 39.33 40.75 2ncm h ASP 73 CO 0.14 0.70 1.17 0.00 -3.12 0.00 0.00 179.24 178.13 2ncm n ALA 74 N -2.48 0.86 0.00 3.45 0.00 -0.90 -4.83 120.51 116.60 2ncm n ALA 74 Ca -0.01 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2ncm n ALA 74 Cb 0.44 -2.51 0.00 0.00 0.00 0.00 0.00 19.45 17.38 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 4.93 -0.31 3.56 0.00 0.00 0.98 -4.90 105.19 109.45 2ncm n GLY 75 Ca 0.27 -1.10 -0.35 0.00 0.00 0.00 0.00 46.02 44.84 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 3.74 1.12 -0.61 -1.09 -1.26 -1.61 121.20 119.49 2ncm s ILE 76 Ca 0.00 -0.64 -0.14 0.00 -2.23 0.00 0.00 60.65 57.63 2ncm s ILE 76 Cb 0.00 -4.66 0.25 0.00 -1.58 0.00 0.00 42.46 36.47 2ncm s ILE 76 CO 0.00 -1.55 1.06 -0.31 -1.23 0.00 0.00 174.94 172.91 2ncm s TYR 77 N 6.98 1.46 0.11 3.97 1.51 -0.45 -3.39 117.35 127.54 2ncm s TYR 77 Ca 0.56 0.92 0.04 0.00 -1.01 0.00 0.00 57.07 57.58 2ncm s TYR 77 Cb -0.02 -3.22 -0.04 0.00 -0.11 0.00 0.00 41.96 38.57 2ncm s TYR 77 CO -0.06 -3.51 -0.11 0.21 -1.11 0.00 0.00 175.55 170.97 2ncm s LYS 78 N -4.89 0.92 -0.37 -0.62 2.20 0.87 -2.14 119.74 115.71 2ncm s LYS 78 Ca 0.67 -1.22 0.02 0.00 -0.36 0.00 0.00 55.97 55.08 2ncm s LYS 78 Cb -0.19 -0.64 0.15 0.00 -1.51 0.00 0.00 37.83 35.64 2ncm s LYS 78 CO 0.59 0.10 0.28 0.00 -0.36 0.00 0.00 175.35 175.97 2ncm s VAL 80 N 1.02 5.26 0.23 0.00 1.01 -0.40 -0.57 120.40 126.95 2ncm s VAL 80 Ca 0.20 0.53 0.08 0.00 0.00 0.00 0.00 61.98 62.80 2ncm s VAL 80 Cb -0.17 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 2ncm s VAL 80 CO -0.03 0.31 0.03 -0.69 0.00 0.00 0.00 175.10 174.72 2ncm s VAL 81 N 1.07 3.73 0.02 2.92 1.01 -0.72 -0.59 120.40 127.84 2ncm s VAL 81 Ca 0.15 -1.63 0.00 0.00 0.00 0.00 0.00 61.98 60.51 2ncm s VAL 81 Cb -0.14 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 2ncm s VAL 81 CO 0.06 -0.27 -0.03 -0.89 0.00 0.00 0.00 175.10 173.97 2ncm s THR 82 N -2.06 0.15 0.48 3.92 2.01 -0.84 -1.58 115.64 117.72 2ncm s THR 82 Ca 0.30 -0.82 0.04 0.00 0.31 0.00 0.00 61.69 61.52 2ncm s THR 82 Cb -0.08 -0.27 0.09 0.00 0.01 0.00 0.00 72.50 72.25 2ncm s THR 82 CO 0.20 -0.42 0.66 0.00 -0.69 0.00 0.00 174.62 174.37 2ncm n ALA 83 N 1.77 0.57 0.07 7.40 0.00 0.30 -1.74 120.51 128.89 2ncm n ALA 83 Ca -0.22 -1.51 -0.11 0.00 0.00 0.00 0.00 53.44 51.59 2ncm n ALA 83 Cb 0.56 0.34 -0.08 0.00 0.00 0.00 0.00 19.45 20.27 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 -0.24 -0.06 0.00 4.81 -1.71 -3.28 114.58 114.09 2ncm h GLU 84 Ca -0.22 0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 58.94 2ncm h GLU 84 Cb 0.92 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 2ncm h GLU 84 CO 0.28 0.17 -0.36 0.38 -0.73 0.00 0.00 179.01 178.74 2ncm h ASP 85 N -0.82 0.12 0.00 1.04 2.03 -1.94 -3.46 116.42 113.39 2ncm h ASP 85 Ca -0.03 -0.04 0.00 0.00 -0.73 0.00 0.00 57.03 56.23 2ncm h ASP 85 Cb 0.52 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 38.99 2ncm h ASP 85 CO 0.04 0.47 0.00 0.61 -1.03 0.00 0.00 179.24 179.34 2ncm n GLY 86 N -0.40 0.48 3.56 7.15 0.00 -1.24 -5.10 105.19 109.64 2ncm n GLY 86 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 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 0.10 -3.99 2.61 -1.04 -1.26 -4.51 114.28 106.19 2ncm n THR 87 Ca 0.00 -0.60 -0.36 0.00 -2.04 0.00 0.00 64.05 61.05 2ncm n THR 87 Cb 0.00 -2.55 -0.08 0.00 -1.82 0.00 0.00 70.33 65.88 2ncm n THR 87 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2ncm s GLN 88 N 7.43 3.59 -0.22 -2.82 -0.21 -1.26 -0.54 119.66 125.62 2ncm s GLN 88 Ca 1.02 -0.25 -0.00 0.00 0.02 0.00 0.00 55.36 56.14 2ncm s GLN 88 Cb -0.33 -3.15 0.06 0.00 1.00 0.00 0.00 33.01 30.60 2ncm s GLN 88 CO 0.32 0.57 -0.02 0.45 -2.12 0.00 0.00 175.29 174.49 2ncm s SER 89 N -0.46 3.57 0.58 5.90 0.15 -0.62 -4.97 113.70 117.85 2ncm s SER 89 Ca 0.11 -1.08 0.09 0.00 0.70 0.00 0.00 55.95 55.77 2ncm s SER 89 Cb -0.12 -1.00 0.09 0.00 -1.71 0.00 0.00 66.02 63.28 2ncm s SER 89 CO 0.02 -0.26 0.76 -1.83 1.20 0.00 0.00 173.24 173.12 2ncm s GLU 90 N 1.54 2.25 0.33 5.44 -1.05 -1.26 -1.76 118.70 124.19 2ncm s GLU 90 Ca -0.04 -1.74 -0.11 0.00 -0.15 0.00 0.00 54.97 52.93 2ncm s GLU 90 Cb -0.18 -2.56 0.02 0.00 -0.44 0.00 0.00 34.13 30.97 2ncm s GLU 90 CO -0.07 -0.88 0.59 0.00 0.95 0.00 0.00 175.26 175.85 2ncm s ALA 91 N -2.71 -0.10 0.05 -0.84 0.00 0.26 -4.77 121.76 113.65 2ncm s ALA 91 Ca 0.58 -1.03 -0.18 0.00 0.00 0.00 0.00 51.96 51.33 2ncm s ALA 91 Cb -0.05 0.96 0.04 0.00 0.00 0.00 0.00 23.12 24.07 2ncm s ALA 91 CO 0.37 -0.89 0.41 0.95 0.00 0.00 0.00 175.76 176.60 2ncm s THR 92 N -3.12 0.06 -0.04 0.00 -4.23 -1.26 -1.90 115.64 105.15 2ncm s THR 92 Ca 0.22 -0.48 -0.02 0.00 -1.18 0.00 0.00 61.69 60.24 2ncm s THR 92 Cb -0.02 -0.97 0.03 0.00 1.34 0.00 0.00 72.50 72.88 2ncm s THR 92 CO 0.14 -0.26 0.06 0.54 -0.54 0.00 0.00 174.62 174.55 2ncm s VAL 93 N -2.59 -0.09 -1.12 2.29 0.11 -0.91 -4.66 120.40 113.42 2ncm s VAL 93 Ca -0.05 0.40 -0.22 0.00 -2.93 0.00 0.00 61.98 59.19 2ncm s VAL 93 Cb -0.01 -0.15 0.02 0.00 -1.53 0.00 0.00 36.38 34.71 2ncm s VAL 93 CO -0.03 0.17 1.72 0.21 -3.33 0.00 0.00 175.10 173.84 2ncm s ASN 94 N 2.07 6.13 0.14 3.54 3.04 -0.66 -1.34 114.94 127.85 2ncm s ASN 94 Ca 0.04 -1.70 -0.25 0.00 0.04 0.00 0.00 52.86 50.98 2ncm s ASN 94 Cb -0.12 -2.58 -0.07 0.00 -1.54 0.00 0.00 41.25 36.94 2ncm s ASN 94 CO -0.03 -1.88 0.78 -0.69 -3.04 0.00 0.00 177.10 172.24 2ncm s VAL 95 N 6.64 4.46 0.18 -5.21 1.01 -0.63 -0.71 120.40 126.13 2ncm s VAL 95 Ca 0.57 1.70 0.09 0.00 0.00 0.00 0.00 61.98 64.34 2ncm s VAL 95 Cb 0.00 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 2ncm s VAL 95 CO 0.02 0.48 -0.17 -0.75 0.00 0.00 0.00 175.10 174.67 2ncm s LYS 96 N -0.85 1.32 -0.11 2.72 2.20 0.15 -0.01 119.74 125.16 2ncm s LYS 96 Ca 0.37 -1.49 -0.11 0.00 -0.36 0.00 0.00 55.97 54.38 2ncm s LYS 96 Cb -0.23 -1.32 0.03 0.00 -1.51 0.00 0.00 37.83 34.81 2ncm s LYS 96 CO 0.26 0.25 0.31 0.42 -0.36 0.00 0.00 175.35 176.23 2ncm s ILE 97 N -2.32 0.00 -0.08 5.43 1.01 -1.26 -2.05 121.20 121.93 2ncm s ILE 97 Ca 0.19 -0.02 0.02 0.00 0.00 0.00 0.00 60.65 60.84 2ncm s ILE 97 Cb -0.04 -0.45 0.01 0.00 0.01 0.00 0.00 42.46 41.99 2ncm s ILE 97 CO 0.07 -0.01 -0.14 0.72 0.00 0.00 0.00 174.94 175.59 2ncm s PHE 98 N 0.11 1.66 -2.37 3.97 -0.71 -0.77 -4.72 117.98 115.16 2ncm s PHE 98 Ca -0.01 -0.67 0.29 0.00 -1.04 0.00 0.00 56.93 55.51 2ncm s PHE 98 Cb -0.02 -1.21 1.28 0.00 -1.21 0.00 0.00 43.02 41.86 2ncm s PHE 98 CO 0.01 -0.34 1.88 0.94 -1.34 0.00 0.00 175.22 176.36