#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 -1.70 5.15 0.31 -1.26 -5.04 118.33 115.79 2ncm n VAL 2 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.90 2ncm n VAL 2 Cb 0.00 -0.03 -0.02 0.00 -0.91 0.00 0.00 33.84 32.87 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 -1.86 3.69 -3.90 7.52 4.77 -1.26 -3.40 117.00 122.55 2ncm n LEU 3 Ca 0.00 1.13 -0.12 0.00 -0.03 0.00 0.00 56.01 56.99 2ncm n LEU 3 Cb 0.00 -1.51 -0.14 0.00 -2.33 0.00 0.00 43.42 39.45 2ncm n LEU 3 CO 0.00 -0.16 -0.37 -1.58 -1.33 0.00 0.00 177.39 173.96 2ncm s GLN 4 N -0.19 0.11 -0.09 3.23 -0.44 0.22 -4.92 119.66 117.58 2ncm s GLN 4 Ca 0.68 -0.13 -0.13 0.00 -2.50 0.00 0.00 55.36 53.28 2ncm s GLN 4 Cb -0.58 -0.04 0.03 0.00 -1.64 0.00 0.00 33.01 30.78 2ncm s GLN 4 CO 0.47 0.01 0.33 0.08 0.50 0.00 0.00 175.29 176.67 2ncm s VAL 5 N -0.27 0.02 -0.29 1.34 1.01 -1.26 -1.84 120.40 119.12 2ncm s VAL 5 Ca -0.02 -0.16 -0.14 0.00 0.00 0.00 0.00 61.98 61.65 2ncm s VAL 5 Cb -0.02 -0.52 0.10 0.00 0.00 0.00 0.00 36.38 35.94 2ncm s VAL 5 CO -0.00 -0.09 0.68 -1.81 0.00 0.00 0.00 175.10 173.88 2ncm s ASP 6 N -0.32 -1.00 -0.13 3.32 1.01 -0.74 -4.80 116.67 114.00 2ncm s ASP 6 Ca -0.05 1.53 -0.08 0.00 0.71 0.00 0.00 52.55 54.67 2ncm s ASP 6 Cb -0.03 1.66 -0.04 0.00 1.01 0.00 0.00 42.92 45.51 2ncm s ASP 6 CO 0.02 -0.23 0.15 -0.63 0.21 0.00 0.00 175.17 174.68 2ncm s ILE 7 N 2.01 5.48 -0.04 0.77 1.01 -1.26 -1.75 121.20 127.42 2ncm s ILE 7 Ca -0.09 0.23 0.04 0.00 0.00 0.00 0.00 60.65 60.83 2ncm s ILE 7 Cb -0.07 -3.42 -0.00 0.00 0.01 0.00 0.00 42.46 38.98 2ncm s ILE 7 CO -0.20 0.59 -0.14 -0.69 0.00 0.00 0.00 174.94 174.51 2ncm s VAL 8 N -0.84 1.17 0.87 2.92 1.01 -0.63 -4.10 120.40 120.81 2ncm s VAL 8 Ca 0.14 -0.57 -0.12 0.00 0.00 0.00 0.00 61.98 61.43 2ncm s VAL 8 Cb -0.12 -1.02 0.12 0.00 0.00 0.00 0.00 36.38 35.36 2ncm s VAL 8 CO 0.04 0.35 1.16 -2.16 0.00 0.00 0.00 175.10 174.48 2ncm s PRO 9 N 0.10 1.46 0.09 2.72 0.04 -1.26 -1.77 135.00 136.39 2ncm s PRO 9 Ca -0.04 0.19 -0.17 0.00 0.04 0.00 0.00 61.00 61.02 2ncm s PRO 9 Cb -0.10 -1.89 -0.07 0.00 0.04 0.00 0.00 34.50 32.48 2ncm s PRO 9 CO 0.01 -1.96 1.52 0.66 0.04 0.00 0.00 177.00 177.28 2ncm h SER 10 N -1.32 0.52 -3.37 6.66 4.64 -1.93 -3.41 113.55 115.34 2ncm h SER 10 Ca -0.48 -0.33 -0.54 0.00 -0.47 0.00 0.00 61.79 59.97 2ncm h SER 10 Cb 1.33 -0.14 -0.39 0.00 -0.31 0.00 0.00 62.40 62.89 2ncm h SER 10 CO 0.63 0.73 -0.77 0.00 -0.87 0.00 0.00 176.83 176.54 2ncm s GLN 11 N -4.91 0.97 -0.47 4.77 -2.07 -1.26 -1.82 119.66 114.87 2ncm s GLN 11 Ca -0.13 -0.56 -0.04 0.00 -1.82 0.00 0.00 55.36 52.80 2ncm s GLN 11 Cb 0.08 -2.19 0.12 0.00 -1.09 0.00 0.00 33.01 29.94 2ncm s GLN 11 CO 0.76 -0.60 0.29 0.20 -1.32 0.00 0.00 175.29 174.63 2ncm s GLY 12 N 1.72 2.11 0.12 2.60 0.00 -0.62 -5.00 107.32 108.26 2ncm s GLY 12 Ca -0.02 -2.70 -0.30 0.00 0.00 0.00 0.00 44.72 41.70 2ncm s GLY 12 CO -0.07 1.06 1.01 -0.54 0.00 0.00 0.00 173.10 174.56 2ncm s GLU 13 N 0.93 4.65 0.23 2.90 2.02 -1.26 -2.03 118.70 126.15 2ncm s GLU 13 Ca 0.10 1.53 0.00 0.00 0.02 0.00 0.00 54.97 56.62 2ncm s GLU 13 Cb -0.23 -3.36 -0.05 0.00 0.10 0.00 0.00 34.13 30.60 2ncm s GLU 13 CO -0.03 0.14 0.11 0.42 0.02 0.00 0.00 175.26 175.92 2ncm s ILE 14 N 0.05 0.32 0.23 -1.63 -1.09 -0.47 -4.91 121.20 113.69 2ncm s ILE 14 Ca 0.48 -2.00 0.11 0.00 -2.23 0.00 0.00 60.65 57.02 2ncm s ILE 14 Cb -0.25 -2.58 -0.05 0.00 -1.58 0.00 0.00 42.46 38.01 2ncm s ILE 14 CO 0.31 0.00 -0.20 -0.94 -1.23 0.00 0.00 174.94 172.88 2ncm s SER 15 N -3.25 3.64 0.32 3.58 1.04 -1.26 -1.85 113.70 115.92 2ncm s SER 15 Ca 0.38 -0.89 -0.29 0.00 0.48 0.00 0.00 55.95 55.64 2ncm s SER 15 Cb 0.07 -0.35 -0.11 0.00 0.10 0.00 0.00 66.02 65.74 2ncm s SER 15 CO 0.13 0.08 1.45 -0.69 0.98 0.00 0.00 173.24 175.20 2ncm s VAL 16 N -2.02 2.36 0.00 5.02 1.01 -0.83 -1.96 120.40 123.98 2ncm s VAL 16 Ca 0.25 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.56 2ncm s VAL 16 Cb -0.07 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.10 2ncm s VAL 16 CO 0.13 0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.91 2ncm n GLY 17 N 1.30 1.20 3.94 4.51 0.00 -1.13 -4.91 105.19 110.11 2ncm n GLY 17 Ca 0.04 0.00 -0.26 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 -0.58 3.44 0.33 1.61 0.41 -0.83 -4.71 118.70 118.37 2ncm s GLU 18 Ca 0.00 -0.60 0.05 0.00 -0.41 0.00 0.00 54.97 54.01 2ncm s GLU 18 Cb 0.00 -2.96 -0.01 0.00 -1.78 0.00 0.00 34.13 29.37 2ncm s GLU 18 CO 0.00 0.52 0.48 -1.54 -0.49 0.00 0.00 175.26 174.23 2ncm s SER 19 N -3.25 6.05 -0.30 -0.19 1.04 -1.22 -2.17 113.70 113.66 2ncm s SER 19 Ca 0.34 -0.01 -0.12 0.00 0.48 0.00 0.00 55.95 56.64 2ncm s SER 19 Cb -0.11 -1.48 0.15 0.00 0.10 0.00 0.00 66.02 64.68 2ncm s SER 19 CO 0.28 -0.38 0.79 -1.59 0.98 0.00 0.00 173.24 173.33 2ncm s LYS 20 N -4.19 0.46 -0.03 4.02 -2.85 -0.41 -4.97 119.74 111.76 2ncm s LYS 20 Ca 0.43 1.14 0.03 0.00 -1.00 0.00 0.00 55.97 56.57 2ncm s LYS 20 Cb -0.09 0.68 -0.03 0.00 -2.06 0.00 0.00 37.83 36.33 2ncm s LYS 20 CO 0.32 -0.17 -0.12 -0.59 0.10 0.00 0.00 175.35 174.89 2ncm s PHE 21 N 2.72 2.77 -0.20 1.78 -0.12 -1.26 -1.09 117.98 122.58 2ncm s PHE 21 Ca -0.04 -0.11 -0.00 0.00 -0.05 0.00 0.00 56.93 56.74 2ncm s PHE 21 Cb -0.10 -1.62 0.02 0.00 -0.63 0.00 0.00 43.02 40.69 2ncm s PHE 21 CO -0.18 0.26 -0.14 -0.06 -0.05 0.00 0.00 175.22 175.05 2ncm s PHE 22 N -0.82 2.90 -0.34 3.49 0.40 -0.82 -4.79 117.98 118.00 2ncm s PHE 22 Ca 0.13 -1.56 -0.29 0.00 -0.60 0.00 0.00 56.93 54.61 2ncm s PHE 22 Cb -0.11 -1.98 0.02 0.00 0.51 0.00 0.00 43.02 41.46 2ncm s PHE 22 CO 0.03 -0.75 1.14 -1.17 0.70 0.00 0.00 175.22 175.16 2ncm s LEU 23 N 1.32 3.87 -0.69 -0.37 2.96 -0.73 -1.74 118.68 123.29 2ncm s LEU 23 Ca 0.03 1.00 -0.15 0.00 -0.22 0.00 0.00 54.13 54.79 2ncm s LEU 23 Cb -0.14 -3.54 0.17 0.00 0.50 0.00 0.00 46.19 43.18 2ncm s LEU 23 CO -0.09 -0.99 0.65 0.00 -1.32 0.00 0.00 176.35 174.60 2ncm s GLN 25 N 0.95 3.57 0.24 0.00 -0.21 -0.72 -1.96 119.66 121.53 2ncm s GLN 25 Ca 0.11 0.12 0.01 0.00 0.02 0.00 0.00 55.36 55.62 2ncm s GLN 25 Cb -0.19 -2.46 -0.04 0.00 1.00 0.00 0.00 33.01 31.32 2ncm s GLN 25 CO -0.03 -0.08 0.15 0.14 -2.12 0.00 0.00 175.29 173.35 2ncm s VAL 26 N -2.55 0.14 -0.26 1.09 -7.23 -1.26 -1.80 120.40 108.53 2ncm s VAL 26 Ca 0.46 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 58.42 2ncm s VAL 26 Cb -0.10 -2.52 0.07 0.00 0.56 0.00 0.00 36.38 34.38 2ncm s VAL 26 CO 0.40 0.00 0.67 0.00 -0.31 0.00 0.00 175.10 175.86 2ncm s ALA 27 N -3.93 -1.69 0.00 1.32 0.00 -0.77 -4.93 121.76 111.77 2ncm s ALA 27 Ca 0.39 1.99 0.00 0.00 0.00 0.00 0.00 51.96 54.34 2ncm s ALA 27 Cb 0.06 -1.16 0.00 0.00 0.00 0.00 0.00 23.12 22.02 2ncm s ALA 27 CO 0.15 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 175.99 2ncm n GLY 28 N 3.10 0.94 1.64 0.00 0.00 -1.22 0.72 105.19 110.37 2ncm n GLY 28 Ca -0.15 -1.87 -0.01 0.00 0.00 0.00 0.00 46.02 43.99 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 0.43 -0.46 -4.45 1.61 2.03 -1.26 -4.99 116.55 109.46 2ncm n ASP 29 Ca 0.00 -1.26 -0.44 0.00 0.52 0.00 0.00 54.79 53.62 2ncm n ASP 29 Cb 0.00 0.20 0.00 0.00 -0.72 0.00 0.00 41.12 40.60 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 -0.42 3.89 -0.99 -1.67 0.00 -1.26 -4.95 120.51 115.12 2ncm n ALA 30 Ca -0.07 -4.11 0.00 0.00 0.00 0.00 0.00 53.44 49.26 2ncm n ALA 30 Cb 0.58 -3.25 0.00 0.00 0.00 0.00 0.00 19.45 16.78 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 6.47 0.00 -1.95 0.00 4.76 -1.26 -4.29 118.16 121.89 2ncm n LYS 31 Ca 0.41 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.44 2ncm n LYS 31 Cb 0.43 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.60 2ncm n LYS 31 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2ncm s ASP 32 N -4.00 6.59 0.05 4.39 1.01 -1.26 -4.81 116.67 118.64 2ncm s ASP 32 Ca 0.00 2.70 0.07 0.00 0.71 0.00 0.00 52.55 56.03 2ncm s ASP 32 Cb 0.00 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.28 2ncm s ASP 32 CO 0.00 -0.77 -0.19 -0.54 0.21 0.00 0.00 175.17 173.88 2ncm s LYS 33 N 0.02 2.02 0.32 8.23 1.02 -1.26 -2.49 119.74 127.61 2ncm s LYS 33 Ca 0.63 -1.01 0.09 0.00 0.02 0.00 0.00 55.97 55.70 2ncm s LYS 33 Cb -0.43 -2.16 -0.06 0.00 -0.52 0.00 0.00 37.83 34.65 2ncm s LYS 33 CO 0.41 0.53 -0.08 -0.51 -0.92 0.00 0.00 175.35 174.78 2ncm s ASP 34 N -1.47 3.42 0.06 2.83 1.01 -0.64 -4.93 116.67 116.94 2ncm s ASP 34 Ca 0.15 -1.20 0.06 0.00 0.71 0.00 0.00 52.55 52.27 2ncm s ASP 34 Cb -0.10 -0.29 -0.03 0.00 1.01 0.00 0.00 42.92 43.51 2ncm s ASP 34 CO 0.05 -0.25 -0.17 -0.63 0.21 0.00 0.00 175.17 174.38 2ncm s ILE 35 N -2.74 1.36 0.07 0.77 1.09 -1.26 -1.99 121.20 118.49 2ncm s ILE 35 Ca 0.32 -1.19 -0.06 0.00 -1.10 0.00 0.00 60.65 58.62 2ncm s ILE 35 Cb 0.03 -1.22 -0.01 0.00 -1.06 0.00 0.00 42.46 40.19 2ncm s ILE 35 CO 0.15 0.01 0.11 -0.44 -0.10 0.00 0.00 174.94 174.68 2ncm s SER 36 N -1.36 0.23 -0.05 3.58 0.01 0.44 -4.97 113.70 111.58 2ncm s SER 36 Ca 0.03 -0.72 0.01 0.00 1.31 0.00 0.00 55.95 56.58 2ncm s SER 36 Cb -0.09 0.28 0.02 0.00 0.21 0.00 0.00 66.02 66.44 2ncm s SER 36 CO 0.02 -0.65 -0.05 0.26 0.41 0.00 0.00 173.24 173.23 2ncm s TRP 37 N -3.62 0.85 -0.21 2.43 0.52 -1.26 -1.61 118.94 116.03 2ncm s TRP 37 Ca 0.03 -0.26 -0.01 0.00 0.02 0.00 0.00 56.10 55.88 2ncm s TRP 37 Cb 0.05 -0.75 0.02 0.00 -1.15 0.00 0.00 33.47 31.63 2ncm s TRP 37 CO -0.09 -0.23 -0.11 -0.06 0.02 0.00 0.00 176.95 176.47 2ncm s PHE 38 N 1.05 2.94 0.56 -1.98 0.40 -0.85 -2.08 117.98 118.02 2ncm s PHE 38 Ca -0.09 -1.49 -0.20 0.00 -0.60 0.00 0.00 56.93 54.56 2ncm s PHE 38 Cb -0.14 -2.01 -0.05 0.00 0.51 0.00 0.00 43.02 41.34 2ncm s PHE 38 CO -0.01 -0.73 1.19 -1.54 0.70 0.00 0.00 175.22 174.84 2ncm s SER 39 N 1.34 5.43 0.46 1.36 1.04 -0.37 -1.21 113.70 121.74 2ncm s SER 39 Ca 0.03 2.35 0.15 0.00 0.48 0.00 0.00 55.95 58.96 2ncm s SER 39 Cb -0.15 -2.60 0.83 0.00 0.10 0.00 0.00 66.02 64.21 2ncm s SER 39 CO -0.08 -1.42 1.39 1.55 0.98 0.00 0.00 173.24 175.66 2ncm h PRO 40 N 1.12 0.00 0.00 4.02 0.13 -1.87 -0.71 132.00 134.69 2ncm h PRO 40 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2ncm h PRO 40 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2ncm h PRO 40 CO 0.56 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.42 2ncm n ASN 41 N -2.30 0.00 -1.07 1.44 3.02 -1.26 -4.85 115.26 110.24 2ncm n ASN 41 Ca -0.01 -1.70 -0.04 0.00 -0.03 0.00 0.00 54.58 52.81 2ncm n ASN 41 Cb 0.45 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.63 2ncm n ASN 41 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ncm n GLY 42 N 0.56 0.65 3.64 7.41 0.00 -0.29 -5.06 105.19 112.09 2ncm n GLY 42 Ca 0.05 -0.50 -0.09 0.00 0.00 0.00 0.00 46.02 45.48 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 -5.04 0.64 0.43 1.61 -1.05 -1.10 -5.00 118.70 109.19 2ncm s GLU 43 Ca 0.08 0.89 -0.25 0.00 -0.15 0.00 0.00 54.97 55.54 2ncm s GLU 43 Cb -0.03 0.24 -0.10 0.00 -0.44 0.00 0.00 34.13 33.80 2ncm s GLU 43 CO 0.12 -0.10 1.14 1.17 0.95 0.00 0.00 175.26 178.54 2ncm n LYS 44 N 3.14 1.62 -4.40 -4.83 4.81 -1.26 -1.24 118.16 115.99 2ncm n LYS 44 Ca -0.16 0.58 -0.33 0.00 -0.87 0.00 0.00 58.31 57.53 2ncm n LYS 44 Cb 0.57 -2.22 -0.10 0.00 0.02 0.00 0.00 35.03 33.30 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 -1.20 3.33 0.49 3.14 0.05 -0.89 -4.77 118.68 118.83 2ncm s LEU 45 Ca 0.63 -0.06 -0.10 0.00 0.05 0.00 0.00 54.13 54.65 2ncm s LEU 45 Cb -0.53 -1.88 -0.05 0.00 -2.05 0.00 0.00 46.19 41.68 2ncm s LEU 45 CO 0.57 0.30 0.86 -0.44 -0.55 0.00 0.00 176.35 177.09 2ncm s SER 46 N -1.36 6.41 0.20 1.48 0.01 -1.26 -4.80 113.70 114.38 2ncm s SER 46 Ca 0.17 1.21 0.11 0.00 1.31 0.00 0.00 55.95 58.75 2ncm s SER 46 Cb -0.11 -2.36 -0.05 0.00 0.21 0.00 0.00 66.02 63.71 2ncm s SER 46 CO 0.07 -0.57 1.37 1.55 0.41 0.00 0.00 173.24 176.08 2ncm h PRO 47 N 0.62 0.00 -2.27 12.44 0.13 -1.91 -3.37 132.00 137.65 2ncm h PRO 47 Ca -0.46 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.05 2ncm h PRO 47 Cb 1.19 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.91 2ncm h PRO 47 CO 0.62 0.75 -0.49 0.27 -0.23 0.00 0.00 178.00 178.93 2ncm n ASN 48 N -3.31 4.31 0.08 1.44 0.23 -1.26 -4.14 115.26 112.61 2ncm n ASN 48 Ca 0.01 -3.55 0.00 0.00 -0.53 0.00 0.00 54.58 50.51 2ncm n ASN 48 Cb 0.83 -0.67 0.00 0.00 -2.08 0.00 0.00 39.78 37.85 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 0.42 0.00 -0.43 -3.83 -0.00 -1.26 -5.16 117.38 107.12 2ncm n GLN 49 Ca 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.31 2ncm n GLN 49 Cb 0.39 -0.35 0.00 0.00 -0.00 0.00 0.00 30.24 30.29 2ncm n GLN 49 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2ncm n GLN 50 N -3.48 0.00 0.19 2.61 1.13 -1.26 -5.02 117.38 111.55 2ncm n GLN 50 Ca 0.00 0.00 0.18 0.00 -1.94 0.00 0.00 57.00 55.24 2ncm n GLN 50 Cb 0.01 0.00 0.72 0.00 0.11 0.00 0.00 30.24 31.08 2ncm n GLN 50 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2ncm h ARG 51 N 0.00 0.00 -6.09 -1.09 3.08 -1.96 -3.37 114.38 104.96 2ncm h ARG 51 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 2ncm h ARG 51 Cb 0.00 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 29.95 2ncm h ARG 51 CO 0.00 0.00 0.96 0.42 -1.07 0.00 0.00 179.97 180.28 2ncm s ILE 52 N -4.36 3.90 -0.23 2.04 1.01 -1.26 -2.13 121.20 120.17 2ncm s ILE 52 Ca -0.04 0.10 -0.08 0.00 0.00 0.00 0.00 60.65 60.64 2ncm s ILE 52 Cb 0.12 -4.87 -0.03 0.00 0.01 0.00 0.00 42.46 37.69 2ncm s ILE 52 CO 0.40 -1.76 0.08 -0.55 0.00 0.00 0.00 174.94 173.11 2ncm s SER 53 N 3.81 5.33 0.34 3.58 0.15 0.32 -4.67 113.70 122.54 2ncm s SER 53 Ca 0.32 -0.11 -0.02 0.00 0.70 0.00 0.00 55.95 56.84 2ncm s SER 53 Cb -0.10 -1.95 -0.04 0.00 -1.71 0.00 0.00 66.02 62.23 2ncm s SER 53 CO 0.12 0.02 0.57 -0.69 1.20 0.00 0.00 173.24 174.46 2ncm s VAL 54 N 1.27 5.06 -0.05 4.45 1.01 -1.26 -1.50 120.40 129.39 2ncm s VAL 54 Ca 0.05 -0.22 -0.17 0.00 0.00 0.00 0.00 61.98 61.63 2ncm s VAL 54 Cb -0.15 -3.82 0.03 0.00 0.00 0.00 0.00 36.38 32.45 2ncm s VAL 54 CO 0.04 -0.50 0.39 0.54 0.00 0.00 0.00 175.10 175.57 2ncm s VAL 55 N -2.27 0.04 -0.21 2.92 0.11 -0.70 -4.90 120.40 115.39 2ncm s VAL 55 Ca 0.42 -0.30 0.01 0.00 -2.93 0.00 0.00 61.98 59.18 2ncm s VAL 55 Cb -0.10 -0.67 0.04 0.00 -1.53 0.00 0.00 36.38 34.13 2ncm s VAL 55 CO 0.35 -0.17 -0.13 0.26 -3.33 0.00 0.00 175.10 172.08 2ncm s TRP 56 N -0.98 2.73 0.00 1.54 0.51 -1.26 -1.30 118.94 120.17 2ncm s TRP 56 Ca -0.10 -1.79 0.00 0.00 -2.12 0.00 0.00 56.10 52.09 2ncm s TRP 56 Cb -0.04 -1.78 0.00 0.00 -0.81 0.00 0.00 33.47 30.84 2ncm s TRP 56 CO 0.04 -0.79 0.00 0.27 -0.51 0.00 0.00 176.95 175.96 2ncm n ASN 57 N 4.60 0.00 -3.21 2.95 0.23 -0.79 -5.02 115.26 114.03 2ncm n ASN 57 Ca -0.16 0.00 -0.16 0.00 -0.53 0.00 0.00 54.58 53.73 2ncm n ASN 57 Cb 0.46 0.00 0.16 0.00 -2.08 0.00 0.00 39.78 38.32 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 -1.19 -3.05 -0.31 0.53 8.00 -1.24 -4.83 116.55 114.45 2ncm n ASP 58 Ca 0.00 -0.47 0.16 0.00 0.71 0.00 0.00 54.79 55.20 2ncm n ASP 58 Cb 0.00 -0.59 0.41 0.00 -0.02 0.00 0.00 41.12 40.92 2ncm n ASP 58 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2ncm h ASP 59 N -2.82 0.62 0.00 -2.24 5.19 -2.02 -3.30 116.42 111.85 2ncm h ASP 59 Ca -0.21 0.08 -0.04 0.00 -0.62 0.00 0.00 57.03 56.24 2ncm h ASP 59 Cb 0.71 -0.03 -0.06 0.00 0.18 0.00 0.00 39.33 40.12 2ncm h ASP 59 CO 0.13 0.22 -0.28 0.47 -3.12 0.00 0.00 179.24 176.65 2ncm n ASP 60 N -4.66 -0.07 -4.86 6.45 8.00 -1.26 -5.00 116.55 115.14 2ncm n ASP 60 Ca 0.22 -1.53 -0.37 0.00 0.71 0.00 0.00 54.79 53.82 2ncm n ASP 60 Cb 0.66 -0.03 -0.06 0.00 -0.02 0.00 0.00 41.12 41.66 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 -0.63 6.39 -0.05 -2.24 1.04 -1.25 -4.58 113.70 112.39 2ncm s SER 61 Ca 0.03 0.47 -0.03 0.00 0.48 0.00 0.00 55.95 56.90 2ncm s SER 61 Cb 0.04 -2.08 0.03 0.00 0.10 0.00 0.00 66.02 64.10 2ncm s SER 61 CO -0.02 0.38 0.13 -0.44 0.98 0.00 0.00 173.24 174.27 2ncm s SER 62 N -0.88 -0.11 -0.09 7.02 0.01 -0.83 -1.88 113.70 116.95 2ncm s SER 62 Ca 0.15 0.26 -0.04 0.00 1.31 0.00 0.00 55.95 57.63 2ncm s SER 62 Cb -0.12 0.20 -0.04 0.00 0.21 0.00 0.00 66.02 66.27 2ncm s SER 62 CO 0.04 -0.10 0.08 -0.89 0.41 0.00 0.00 173.24 172.78 2ncm s THR 63 N 0.68 4.96 -0.66 1.44 2.01 -0.42 -1.55 115.64 122.12 2ncm s THR 63 Ca -0.05 -0.06 -0.11 0.00 0.31 0.00 0.00 61.69 61.78 2ncm s THR 63 Cb -0.07 -3.16 0.17 0.00 0.01 0.00 0.00 72.50 69.45 2ncm s THR 63 CO -0.03 0.56 0.56 -0.22 -0.69 0.00 0.00 174.62 174.81 2ncm s LEU 64 N -1.12 6.15 0.12 4.42 0.20 -0.71 -1.71 118.68 126.03 2ncm s LEU 64 Ca 0.16 -2.37 -0.23 0.00 0.69 0.00 0.00 54.13 52.38 2ncm s LEU 64 Cb -0.12 -2.10 -0.07 0.00 -0.43 0.00 0.00 46.19 43.46 2ncm s LEU 64 CO 0.05 -0.62 0.70 -0.89 -0.29 0.00 0.00 176.35 175.31 2ncm s THR 65 N 0.67 4.52 -0.35 3.68 2.01 -0.56 -1.95 115.64 123.66 2ncm s THR 65 Ca 0.12 1.53 -0.01 0.00 0.31 0.00 0.00 61.69 63.64 2ncm s THR 65 Cb -0.19 -4.05 0.13 0.00 0.01 0.00 0.00 72.50 68.39 2ncm s THR 65 CO -0.04 0.52 0.19 -0.63 -0.69 0.00 0.00 174.62 173.97 2ncm s ILE 66 N -1.06 0.38 0.00 1.82 1.01 -0.25 -0.53 121.20 122.57 2ncm s ILE 66 Ca 0.33 -1.60 0.00 0.00 0.00 0.00 0.00 60.65 59.38 2ncm s ILE 66 Cb -0.22 -1.29 0.00 0.00 0.01 0.00 0.00 42.46 40.97 2ncm s ILE 66 CO 0.23 -0.88 0.00 -1.22 0.00 0.00 0.00 174.94 173.07 2ncm n TYR 67 N 4.31 0.00 -1.54 3.97 4.01 -0.90 -1.29 117.16 125.71 2ncm n TYR 67 Ca 0.06 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.56 2ncm n TYR 67 Cb 0.38 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.32 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 1.36 -4.77 7.72 5.15 -1.26 -3.44 115.26 120.02 2ncm n ASN 68 Ca 0.00 -0.89 -0.36 0.00 -0.60 0.00 0.00 54.58 52.73 2ncm n ASN 68 Cb 0.00 -1.41 -0.00 0.00 -0.53 0.00 0.00 39.78 37.84 2ncm n ASN 68 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ncm s ALA 69 N 11.42 2.78 0.04 5.20 0.00 -0.92 -4.78 121.76 135.49 2ncm s ALA 69 Ca 1.04 0.85 -0.03 0.00 0.00 0.00 0.00 51.96 53.83 2ncm s ALA 69 Cb -0.36 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.38 2ncm s ALA 69 CO 0.25 -0.73 0.02 -0.80 0.00 0.00 0.00 175.76 174.50 2ncm s ASN 70 N -1.65 0.28 0.61 0.00 0.01 -1.26 -2.82 114.94 110.11 2ncm s ASN 70 Ca 0.70 -0.65 0.29 0.00 -0.71 0.00 0.00 52.86 52.49 2ncm s ASN 70 Cb -0.25 0.18 1.57 0.00 0.41 0.00 0.00 41.25 43.16 2ncm s ASN 70 CO 0.29 -0.47 1.97 0.16 -1.51 0.00 0.00 177.10 177.54 2ncm h ILE 71 N 3.84 0.31 -0.25 0.60 3.07 -1.95 0.36 117.51 123.49 2ncm h ILE 71 Ca -0.33 0.00 -0.17 0.00 1.55 0.00 0.00 64.86 65.91 2ncm h ILE 71 Cb 1.18 0.69 0.00 0.00 -0.27 0.00 0.00 36.82 38.43 2ncm h ILE 71 CO 0.52 0.00 -0.52 0.44 -1.05 0.00 0.00 178.15 177.54 2ncm h ASP 72 N 0.00 0.89 -0.19 2.16 3.32 -1.96 -3.15 116.42 117.50 2ncm h ASP 72 Ca 0.13 -0.55 -0.09 0.00 0.02 0.00 0.00 57.03 56.55 2ncm h ASP 72 Cb 0.86 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 2ncm h ASP 72 CO -0.00 1.27 -0.16 0.44 -1.72 0.00 0.00 179.24 179.07 2ncm h ASP 73 N 0.55 0.59 -1.08 6.45 3.32 -1.35 -3.43 116.42 121.47 2ncm h ASP 73 Ca 0.01 -0.18 -0.63 0.00 0.02 0.00 0.00 57.03 56.26 2ncm h ASP 73 Cb 1.13 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.50 2ncm h ASP 73 CO 0.11 0.77 1.48 0.00 -1.72 0.00 0.00 179.24 179.88 2ncm n ALA 74 N -2.48 1.00 -3.95 3.45 0.00 -0.96 -4.83 120.51 112.73 2ncm n ALA 74 Ca 0.01 -0.20 0.17 0.00 0.00 0.00 0.00 53.44 53.42 2ncm n ALA 74 Cb 0.37 -2.62 0.01 0.00 0.00 0.00 0.00 19.45 17.21 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 6.46 0.20 3.53 0.00 0.00 0.13 -4.89 105.19 110.62 2ncm n GLY 75 Ca 0.43 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.02 3.99 0.75 -0.61 -1.09 -1.26 -1.87 121.20 119.09 2ncm s ILE 76 Ca 0.29 -0.35 -0.11 0.00 -2.23 0.00 0.00 60.65 58.26 2ncm s ILE 76 Cb -0.01 -4.92 0.04 0.00 -1.58 0.00 0.00 42.46 35.99 2ncm s ILE 76 CO -0.01 -1.79 1.08 -0.31 -1.23 0.00 0.00 174.94 172.67 2ncm s TYR 77 N 4.89 2.78 0.17 3.97 1.51 -0.63 -3.99 117.35 126.05 2ncm s TYR 77 Ca 0.37 1.50 0.07 0.00 -1.01 0.00 0.00 57.07 57.99 2ncm s TYR 77 Cb -0.06 -2.99 -0.04 0.00 -0.11 0.00 0.00 41.96 38.76 2ncm s TYR 77 CO 0.02 -1.60 -0.14 0.21 -1.11 0.00 0.00 175.55 172.94 2ncm s LYS 78 N -4.96 1.19 -0.29 -0.62 2.20 -0.35 -1.84 119.74 115.07 2ncm s LYS 78 Ca 0.60 -1.46 -0.04 0.00 -0.36 0.00 0.00 55.97 54.72 2ncm s LYS 78 Cb -0.16 -0.99 0.10 0.00 -1.51 0.00 0.00 37.83 35.27 2ncm s LYS 78 CO 0.56 0.17 0.13 0.00 -0.36 0.00 0.00 175.35 175.84 2ncm s VAL 80 N 2.02 3.75 0.16 0.00 1.01 -0.64 -0.27 120.40 126.43 2ncm s VAL 80 Ca 0.09 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 61.72 2ncm s VAL 80 Cb -0.16 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 2ncm s VAL 80 CO -0.35 0.46 0.22 -0.69 0.00 0.00 0.00 175.10 174.74 2ncm s VAL 81 N 0.78 4.92 0.02 2.92 1.01 -0.62 -0.42 120.40 129.01 2ncm s VAL 81 Ca -0.01 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.12 2ncm s VAL 81 Cb -0.14 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 2ncm s VAL 81 CO 0.02 -0.11 -0.10 -0.89 0.00 0.00 0.00 175.10 174.02 2ncm s THR 82 N -1.76 0.80 0.75 3.92 2.01 -0.84 -0.74 115.64 119.79 2ncm s THR 82 Ca 0.33 -0.69 -0.04 0.00 0.31 0.00 0.00 61.69 61.60 2ncm s THR 82 Cb -0.10 -0.72 0.13 0.00 0.01 0.00 0.00 72.50 71.81 2ncm s THR 82 CO 0.26 0.04 1.04 0.00 -0.69 0.00 0.00 174.62 175.27 2ncm s ALA 83 N -0.60 3.39 0.16 7.40 0.00 0.20 -1.62 121.76 130.69 2ncm s ALA 83 Ca 0.01 -1.53 -0.11 0.00 0.00 0.00 0.00 51.96 50.33 2ncm s ALA 83 Cb -0.06 -2.21 0.03 0.00 0.00 0.00 0.00 23.12 20.88 2ncm s ALA 83 CO 0.00 -1.58 1.59 1.49 0.00 0.00 0.00 175.76 177.27 2ncm h GLU 84 N -0.70 0.98 0.15 0.00 4.81 -1.67 -3.22 114.58 114.93 2ncm h GLU 84 Ca -0.39 -0.35 -0.30 0.00 -0.13 0.00 0.00 59.36 58.19 2ncm h GLU 84 Cb 1.27 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 30.59 2ncm h GLU 84 CO 0.43 1.02 -1.41 0.38 -0.73 0.00 0.00 179.01 178.70 2ncm h ASP 85 N 0.85 0.49 0.00 1.04 2.03 -1.92 -3.48 116.42 115.43 2ncm h ASP 85 Ca 0.14 -0.58 0.00 0.00 -0.73 0.00 0.00 57.03 55.86 2ncm h ASP 85 Cb 0.63 -0.16 0.00 0.00 -0.83 0.00 0.00 39.33 38.97 2ncm h ASP 85 CO 0.04 1.46 0.00 0.61 -1.03 0.00 0.00 179.24 180.33 2ncm n GLY 86 N 1.62 0.45 3.56 7.15 0.00 -1.21 -5.10 105.19 111.65 2ncm n GLY 86 Ca -0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 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 0.05 -4.46 2.61 -1.04 -1.26 -4.41 114.28 105.77 2ncm n THR 87 Ca 0.00 -0.64 -0.34 0.00 -2.04 0.00 0.00 64.05 61.03 2ncm n THR 87 Cb 0.00 -2.57 -0.12 0.00 -1.82 0.00 0.00 70.33 65.82 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 7.66 3.44 0.42 -2.82 -2.07 -1.26 -0.62 119.66 124.41 2ncm s GLN 88 Ca 1.01 -0.52 0.07 0.00 -1.82 0.00 0.00 55.36 54.10 2ncm s GLN 88 Cb -0.31 -2.83 0.07 0.00 -1.09 0.00 0.00 33.01 28.85 2ncm s GLN 88 CO 0.31 0.35 0.58 -1.13 -1.32 0.00 0.00 175.29 174.08 2ncm n SER 89 N 3.18 1.47 -3.31 12.60 3.41 0.08 -4.91 113.62 126.14 2ncm n SER 89 Ca -0.18 -2.08 -0.07 0.00 -0.26 0.00 0.00 58.87 56.28 2ncm n SER 89 Cb 0.53 -0.31 0.01 0.00 -0.26 0.00 0.00 64.21 64.17 2ncm n SER 89 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2ncm s GLU 90 N -3.89 1.94 0.36 4.33 -1.05 -1.26 -1.59 118.70 117.54 2ncm s GLU 90 Ca 0.43 -1.19 -0.17 0.00 -0.15 0.00 0.00 54.97 53.90 2ncm s GLU 90 Cb -0.03 0.58 0.04 0.00 -0.44 0.00 0.00 34.13 34.28 2ncm s GLU 90 CO 0.28 -0.90 0.76 0.00 0.95 0.00 0.00 175.26 176.35 2ncm s ALA 91 N -2.85 -0.84 0.18 -0.84 0.00 0.62 -4.61 121.76 113.43 2ncm s ALA 91 Ca 0.14 -0.65 -0.17 0.00 0.00 0.00 0.00 51.96 51.28 2ncm s ALA 91 Cb -0.05 0.73 0.03 0.00 0.00 0.00 0.00 23.12 23.83 2ncm s ALA 91 CO 0.09 -1.00 0.50 0.95 0.00 0.00 0.00 175.76 176.30 2ncm s THR 92 N -2.76 0.03 -0.20 0.00 -4.23 -1.26 -1.96 115.64 105.26 2ncm s THR 92 Ca 0.15 -0.75 -0.08 0.00 -1.18 0.00 0.00 61.69 59.83 2ncm s THR 92 Cb -0.05 -1.51 0.08 0.00 1.34 0.00 0.00 72.50 72.36 2ncm s THR 92 CO 0.10 -0.15 0.44 0.54 -0.54 0.00 0.00 174.62 175.01 2ncm s VAL 93 N -3.86 -0.47 -0.84 2.29 0.11 -0.77 -4.51 120.40 112.35 2ncm s VAL 93 Ca 0.08 0.13 -0.25 0.00 -2.93 0.00 0.00 61.98 59.02 2ncm s VAL 93 Cb -0.00 -0.68 0.04 0.00 -1.53 0.00 0.00 36.38 34.21 2ncm s VAL 93 CO -0.04 0.06 1.31 0.21 -3.33 0.00 0.00 175.10 173.30 2ncm s ASN 94 N 2.26 6.30 -0.24 3.54 3.04 -0.75 -1.60 114.94 127.48 2ncm s ASN 94 Ca -0.04 -0.91 -0.13 0.00 0.04 0.00 0.00 52.86 51.82 2ncm s ASN 94 Cb -0.11 -2.55 -0.05 0.00 -1.54 0.00 0.00 41.25 37.01 2ncm s ASN 94 CO -0.13 -1.66 0.26 -0.69 -3.04 0.00 0.00 177.10 171.83 2ncm s VAL 95 N 5.22 5.28 0.26 -5.21 1.01 -0.78 -1.58 120.40 124.61 2ncm s VAL 95 Ca 0.38 0.37 0.08 0.00 0.00 0.00 0.00 61.98 62.81 2ncm s VAL 95 Cb -0.06 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 2ncm s VAL 95 CO 0.05 0.28 0.13 -0.75 0.00 0.00 0.00 175.10 174.80 2ncm s LYS 96 N 1.38 2.68 -0.18 2.72 2.20 -0.86 0.20 119.74 127.88 2ncm s LYS 96 Ca 0.11 -1.20 -0.08 0.00 -0.36 0.00 0.00 55.97 54.44 2ncm s LYS 96 Cb -0.15 -2.41 0.07 0.00 -1.51 0.00 0.00 37.83 33.84 2ncm s LYS 96 CO 0.07 0.37 0.41 0.42 -0.36 0.00 0.00 175.35 176.26 2ncm s ILE 97 N -2.21 -0.28 -0.13 5.43 1.01 -1.25 -1.37 121.20 122.40 2ncm s ILE 97 Ca 0.33 0.13 0.01 0.00 0.00 0.00 0.00 60.65 61.12 2ncm s ILE 97 Cb -0.07 -0.63 -0.01 0.00 0.01 0.00 0.00 42.46 41.77 2ncm s ILE 97 CO 0.23 0.05 -0.17 0.72 0.00 0.00 0.00 174.94 175.78 2ncm s PHE 98 N 1.91 2.74 -2.16 3.97 -0.71 -0.77 -4.59 117.98 118.36 2ncm s PHE 98 Ca -0.06 -0.92 0.31 0.00 -1.04 0.00 0.00 56.93 55.21 2ncm s PHE 98 Cb -0.10 -1.83 1.63 0.00 -1.21 0.00 0.00 43.02 41.51 2ncm s PHE 98 CO -0.13 -0.38 2.07 0.94 -1.34 0.00 0.00 175.22 176.39