#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 0.33 -3.92 5.15 0.24 -1.26 -5.04 118.33 113.83 2ncm n VAL 2 Ca 0.00 -1.33 -0.21 0.00 -2.04 0.00 0.00 64.34 60.76 2ncm n VAL 2 Cb 0.00 0.99 -0.17 0.00 -1.47 0.00 0.00 33.84 33.19 2ncm n VAL 2 CO 0.00 0.00 0.00 -1.48 -2.14 0.00 0.00 176.83 173.21 2ncm s LEU 3 N -2.93 0.91 0.07 1.34 2.34 -1.26 -1.99 118.68 117.17 2ncm s LEU 3 Ca 0.15 -0.10 0.07 0.00 0.06 0.00 0.00 54.13 54.31 2ncm s LEU 3 Cb 0.33 -0.43 -0.03 0.00 -0.56 0.00 0.00 46.19 45.51 2ncm s LEU 3 CO -0.09 -0.14 -0.18 -1.58 -1.06 0.00 0.00 176.35 173.31 2ncm s GLN 4 N 1.51 1.06 -0.02 1.48 2.00 0.79 -4.82 119.66 121.66 2ncm s GLN 4 Ca -0.02 -1.00 -0.08 0.00 -2.00 0.00 0.00 55.36 52.25 2ncm s GLN 4 Cb -0.13 -1.20 0.01 0.00 0.80 0.00 0.00 33.01 32.49 2ncm s GLN 4 CO -0.03 0.28 0.18 0.08 -0.50 0.00 0.00 175.29 175.31 2ncm s VAL 5 N -1.07 0.06 -0.29 1.34 1.01 -1.26 -1.73 120.40 118.45 2ncm s VAL 5 Ca 0.04 -0.47 -0.14 0.00 0.00 0.00 0.00 61.98 61.41 2ncm s VAL 5 Cb -0.09 -0.42 0.10 0.00 0.00 0.00 0.00 36.38 35.96 2ncm s VAL 5 CO 0.03 -0.26 0.68 -1.81 0.00 0.00 0.00 175.10 173.74 2ncm s ASP 6 N -0.97 -1.01 -0.08 3.32 1.01 -0.77 -4.80 116.67 113.37 2ncm s ASP 6 Ca -0.11 1.52 -0.10 0.00 0.71 0.00 0.00 52.55 54.57 2ncm s ASP 6 Cb -0.06 1.73 -0.05 0.00 1.01 0.00 0.00 42.92 45.56 2ncm s ASP 6 CO 0.02 -0.23 0.25 -0.63 0.21 0.00 0.00 175.17 174.79 2ncm s ILE 7 N 2.11 5.32 -0.06 0.77 1.01 -1.26 -1.76 121.20 127.32 2ncm s ILE 7 Ca -0.08 0.46 0.03 0.00 0.00 0.00 0.00 60.65 61.06 2ncm s ILE 7 Cb -0.08 -3.53 0.01 0.00 0.01 0.00 0.00 42.46 38.87 2ncm s ILE 7 CO -0.20 0.59 -0.13 -0.69 0.00 0.00 0.00 174.94 174.52 2ncm s VAL 8 N -0.97 1.20 0.96 2.92 1.01 -0.63 -4.00 120.40 120.88 2ncm s VAL 8 Ca 0.18 -0.53 -0.14 0.00 0.00 0.00 0.00 61.98 61.50 2ncm s VAL 8 Cb -0.14 -1.08 0.17 0.00 0.00 0.00 0.00 36.38 35.33 2ncm s VAL 8 CO 0.08 0.37 1.15 -2.16 0.00 0.00 0.00 175.10 174.53 2ncm s PRO 9 N 0.56 0.71 -0.02 2.72 0.04 -1.26 -1.73 135.00 136.02 2ncm s PRO 9 Ca -0.13 0.17 -0.24 0.00 0.04 0.00 0.00 61.00 60.84 2ncm s PRO 9 Cb -0.15 -1.80 -0.17 0.00 0.04 0.00 0.00 34.50 32.42 2ncm s PRO 9 CO 0.04 -2.47 1.11 0.66 0.04 0.00 0.00 177.00 176.38 2ncm h SER 10 N -1.69 -0.19 -3.41 6.66 4.64 -1.93 -3.43 113.55 114.20 2ncm h SER 10 Ca -0.49 -0.33 -0.57 0.00 -0.47 0.00 0.00 61.79 59.93 2ncm h SER 10 Cb 1.32 0.05 -0.39 0.00 -0.31 0.00 0.00 62.40 63.06 2ncm h SER 10 CO 0.55 0.28 -0.77 0.00 -0.87 0.00 0.00 176.83 176.02 2ncm s GLN 11 N -4.10 1.08 0.37 4.77 -2.07 -1.26 -1.64 119.66 116.80 2ncm s GLN 11 Ca -0.14 -0.83 -0.02 0.00 -1.82 0.00 0.00 55.36 52.55 2ncm s GLN 11 Cb 0.01 -2.32 -0.04 0.00 -1.09 0.00 0.00 33.01 29.58 2ncm s GLN 11 CO 0.56 -0.71 0.60 0.20 -1.32 0.00 0.00 175.29 174.62 2ncm s GLY 12 N 1.59 1.47 -0.09 2.60 0.00 -0.11 -4.98 107.32 107.81 2ncm s GLY 12 Ca -0.00 -0.75 -0.03 0.00 0.00 0.00 0.00 44.72 43.93 2ncm s GLY 12 CO -0.11 -0.66 0.16 -0.54 0.00 0.00 0.00 173.10 171.95 2ncm s GLU 13 N -4.26 0.04 0.12 2.90 2.02 -1.26 -1.19 118.70 117.06 2ncm s GLU 13 Ca 0.42 0.54 -0.01 0.00 0.02 0.00 0.00 54.97 55.95 2ncm s GLU 13 Cb -0.10 -0.33 -0.04 0.00 0.10 0.00 0.00 34.13 33.76 2ncm s GLU 13 CO 0.37 -0.33 0.03 0.42 0.02 0.00 0.00 175.26 175.77 2ncm s ILE 14 N 2.29 0.22 0.20 -1.63 1.09 -0.82 -4.97 121.20 117.58 2ncm s ILE 14 Ca 0.03 -1.91 0.05 0.00 -1.10 0.00 0.00 60.65 57.72 2ncm s ILE 14 Cb -0.12 -1.96 -0.03 0.00 -1.06 0.00 0.00 42.46 39.28 2ncm s ILE 14 CO -0.06 -0.56 0.27 -0.94 -0.10 0.00 0.00 174.94 173.55 2ncm s SER 15 N -3.05 6.05 0.33 3.58 1.04 -1.26 -1.83 113.70 118.56 2ncm s SER 15 Ca 0.21 0.01 -0.29 0.00 0.48 0.00 0.00 55.95 56.36 2ncm s SER 15 Cb 0.07 -1.73 -0.11 0.00 0.10 0.00 0.00 66.02 64.36 2ncm s SER 15 CO 0.00 -0.00 1.43 -0.69 0.98 0.00 0.00 173.24 174.95 2ncm s VAL 16 N -1.90 2.40 0.00 5.02 1.01 -0.80 -2.05 120.40 124.09 2ncm s VAL 16 Ca 0.33 0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.70 2ncm s VAL 16 Cb -0.10 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 33.04 2ncm s VAL 16 CO 0.27 0.08 0.00 0.61 0.00 0.00 0.00 175.10 176.06 2ncm n GLY 17 N 1.10 2.18 3.98 4.51 0.00 -1.07 -4.90 105.19 110.99 2ncm n GLY 17 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.69 3.27 0.39 1.61 0.41 -0.87 -4.68 118.70 118.14 2ncm s GLU 18 Ca 0.00 -0.82 0.08 0.00 -0.41 0.00 0.00 54.97 53.82 2ncm s GLU 18 Cb 0.00 -2.82 -0.01 0.00 -1.78 0.00 0.00 34.13 29.53 2ncm s GLU 18 CO 0.00 0.19 0.46 -1.54 -0.49 0.00 0.00 175.26 173.88 2ncm s SER 19 N -4.09 5.50 -0.30 -0.19 1.04 -1.23 -2.19 113.70 112.25 2ncm s SER 19 Ca 0.40 -0.47 -0.13 0.00 0.48 0.00 0.00 55.95 56.24 2ncm s SER 19 Cb -0.09 -0.79 0.14 0.00 0.10 0.00 0.00 66.02 65.37 2ncm s SER 19 CO 0.31 -0.61 0.79 -1.59 0.98 0.00 0.00 173.24 173.12 2ncm s LYS 20 N -4.21 0.48 -0.01 4.02 -2.85 -0.43 -4.97 119.74 111.78 2ncm s LYS 20 Ca 0.49 1.15 0.05 0.00 -1.00 0.00 0.00 55.97 56.66 2ncm s LYS 20 Cb -0.07 0.62 -0.03 0.00 -2.06 0.00 0.00 37.83 36.29 2ncm s LYS 20 CO 0.30 -0.15 -0.16 -0.59 0.10 0.00 0.00 175.35 174.85 2ncm s PHE 21 N 2.55 2.64 -0.20 1.78 -0.12 -1.26 -0.92 117.98 122.44 2ncm s PHE 21 Ca -0.05 -0.21 0.00 0.00 -0.05 0.00 0.00 56.93 56.62 2ncm s PHE 21 Cb -0.09 -1.56 0.02 0.00 -0.63 0.00 0.00 43.02 40.77 2ncm s PHE 21 CO -0.18 0.21 -0.15 -0.06 -0.05 0.00 0.00 175.22 174.98 2ncm s PHE 22 N -0.82 2.89 -0.31 3.49 0.40 -0.82 -4.80 117.98 118.02 2ncm s PHE 22 Ca 0.13 -1.62 -0.29 0.00 -0.60 0.00 0.00 56.93 54.55 2ncm s PHE 22 Cb -0.11 -1.96 0.01 0.00 0.51 0.00 0.00 43.02 41.48 2ncm s PHE 22 CO 0.03 -0.77 1.11 -1.17 0.70 0.00 0.00 175.22 175.12 2ncm s LEU 23 N 1.30 3.94 -0.55 -0.37 2.96 -0.70 -1.73 118.68 123.52 2ncm s LEU 23 Ca 0.03 1.11 -0.17 0.00 -0.22 0.00 0.00 54.13 54.88 2ncm s LEU 23 Cb -0.14 -3.54 0.11 0.00 0.50 0.00 0.00 46.19 43.12 2ncm s LEU 23 CO -0.10 -0.90 0.57 0.00 -1.32 0.00 0.00 176.35 174.60 2ncm s GLN 25 N 2.02 3.54 0.31 0.00 1.11 -0.72 -2.02 119.66 123.91 2ncm s GLN 25 Ca 0.07 -0.07 0.03 0.00 0.01 0.00 0.00 55.36 55.40 2ncm s GLN 25 Cb -0.27 -2.56 -0.04 0.00 -1.01 0.00 0.00 33.01 29.13 2ncm s GLN 25 CO 0.05 0.04 0.15 0.14 0.01 0.00 0.00 175.29 175.68 2ncm s VAL 26 N -2.41 0.40 -0.29 1.09 -7.23 -1.26 -1.85 120.40 108.85 2ncm s VAL 26 Ca 0.43 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.52 2ncm s VAL 26 Cb -0.10 -2.52 0.13 0.00 0.56 0.00 0.00 36.38 34.46 2ncm s VAL 26 CO 0.38 0.00 0.62 0.00 -0.31 0.00 0.00 175.10 175.79 2ncm s ALA 27 N -3.56 -2.00 0.00 1.32 0.00 -0.71 -4.92 121.76 111.89 2ncm s ALA 27 Ca 0.35 2.20 0.00 0.00 0.00 0.00 0.00 51.96 54.51 2ncm s ALA 27 Cb 0.05 -1.79 0.00 0.00 0.00 0.00 0.00 23.12 21.38 2ncm s ALA 27 CO 0.17 -0.97 0.00 0.41 0.00 0.00 0.00 175.76 175.37 2ncm n GLY 28 N 5.44 1.14 2.52 0.00 0.00 -1.26 -0.15 105.19 112.88 2ncm n GLY 28 Ca -0.10 -1.93 -0.18 0.00 0.00 0.00 0.00 46.02 43.81 2ncm n GLY 28 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ncm n ASP 29 N 0.00 -1.59 -2.03 1.61 -0.08 -0.84 -4.95 116.55 108.67 2ncm n ASP 29 Ca 0.00 -2.64 -0.06 0.00 -1.51 0.00 0.00 54.79 50.58 2ncm n ASP 29 Cb 0.00 0.36 0.31 0.00 2.34 0.00 0.00 41.12 44.13 2ncm n ASP 29 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2ncm n ALA 30 N 2.69 4.63 -1.00 -1.67 0.00 -1.23 -4.96 120.51 118.97 2ncm n ALA 30 Ca 0.24 -2.36 0.00 0.00 0.00 0.00 0.00 53.44 51.32 2ncm n ALA 30 Cb 0.52 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.71 2ncm n ALA 30 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2ncm n LYS 31 N -0.16 0.00 -0.20 0.00 4.01 -1.26 -3.68 118.16 116.87 2ncm n LYS 31 Ca 0.42 0.00 0.31 0.00 -0.51 0.00 0.00 58.31 58.52 2ncm n LYS 31 Cb 1.41 0.00 0.71 0.00 -0.51 0.00 0.00 35.03 36.64 2ncm n LYS 31 CO 0.00 0.00 0.00 0.22 -1.11 0.00 0.00 177.40 176.51 2ncm h ASP 32 N 0.00 0.00 0.00 4.39 3.58 -1.88 -3.46 116.42 119.05 2ncm h ASP 32 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2ncm h ASP 32 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2ncm h ASP 32 CO 0.00 0.00 0.00 0.29 -2.88 0.00 0.00 179.24 176.65 2ncm n LYS 33 N -3.97 0.00 -4.57 0.28 5.02 -1.19 -4.88 118.16 108.85 2ncm n LYS 33 Ca 0.21 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.23 2ncm n LYS 33 Cb 1.12 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 36.02 2ncm n LYS 33 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2ncm s ASP 34 N 0.00 3.63 0.10 4.39 1.01 -0.75 -4.92 116.67 120.14 2ncm s ASP 34 Ca 0.00 -1.31 0.05 0.00 0.71 0.00 0.00 52.55 52.00 2ncm s ASP 34 Cb 0.00 -0.34 -0.03 0.00 1.01 0.00 0.00 42.92 43.55 2ncm s ASP 34 CO 0.00 -0.39 -0.14 -0.63 0.21 0.00 0.00 175.17 174.22 2ncm s ILE 35 N -2.76 1.22 0.13 0.77 1.09 -1.26 -1.96 121.20 118.42 2ncm s ILE 35 Ca 0.34 -1.59 -0.14 0.00 -1.10 0.00 0.00 60.65 58.16 2ncm s ILE 35 Cb 0.08 -1.38 0.03 0.00 -1.06 0.00 0.00 42.46 40.12 2ncm s ILE 35 CO 0.17 -0.38 0.37 -0.44 -0.10 0.00 0.00 174.94 174.56 2ncm s SER 36 N -2.25 -0.16 -0.05 3.58 0.01 0.89 -4.95 113.70 110.78 2ncm s SER 36 Ca 0.05 -0.42 0.02 0.00 1.31 0.00 0.00 55.95 56.91 2ncm s SER 36 Cb -0.06 0.46 0.02 0.00 0.21 0.00 0.00 66.02 66.64 2ncm s SER 36 CO 0.02 -0.85 -0.07 0.26 0.41 0.00 0.00 173.24 173.01 2ncm s TRP 37 N -3.83 0.95 -0.18 2.43 0.52 -1.26 -1.60 118.94 115.97 2ncm s TRP 37 Ca 0.04 -0.29 0.01 0.00 0.02 0.00 0.00 56.10 55.88 2ncm s TRP 37 Cb 0.02 -0.76 0.03 0.00 -1.15 0.00 0.00 33.47 31.61 2ncm s TRP 37 CO -0.11 -0.20 -0.16 -0.06 0.02 0.00 0.00 176.95 176.45 2ncm s PHE 38 N 0.72 2.58 0.70 -1.98 0.40 -0.86 -2.09 117.98 117.46 2ncm s PHE 38 Ca -0.11 -1.58 -0.16 0.00 -0.60 0.00 0.00 56.93 54.47 2ncm s PHE 38 Cb -0.14 -1.77 0.02 0.00 0.51 0.00 0.00 43.02 41.64 2ncm s PHE 38 CO 0.01 -0.76 1.22 -1.54 0.70 0.00 0.00 175.22 174.85 2ncm s SER 39 N 1.35 4.41 0.16 1.36 1.04 0.22 -0.86 113.70 121.38 2ncm s SER 39 Ca 0.02 2.40 0.08 0.00 0.48 0.00 0.00 55.95 58.94 2ncm s SER 39 Cb -0.14 -2.60 0.44 0.00 0.10 0.00 0.00 66.02 63.82 2ncm s SER 39 CO -0.11 -2.12 1.16 -2.65 0.98 0.00 0.00 173.24 170.50 2ncm n PRO 40 N -2.42 0.05 0.00 4.02 -0.02 -1.25 -1.69 135.00 133.69 2ncm n PRO 40 Ca 0.14 0.49 0.13 0.00 -2.02 0.00 0.00 63.50 62.23 2ncm n PRO 40 Cb 0.50 -1.82 0.69 0.00 -0.02 0.00 0.00 33.50 32.84 2ncm n PRO 40 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2ncm n ASN 41 N -1.75 0.00 -0.16 2.55 5.15 -1.26 -4.83 115.26 114.96 2ncm n ASN 41 Ca -0.01 -0.32 0.00 0.00 -0.60 0.00 0.00 54.58 53.66 2ncm n ASN 41 Cb 0.16 -0.19 0.00 0.00 -0.53 0.00 0.00 39.78 39.21 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 0.80 0.94 3.83 8.20 0.00 -0.68 -5.10 105.19 113.17 2ncm n GLY 42 Ca 0.15 -0.20 -0.07 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.39 1.92 0.21 1.61 -1.05 -1.12 -5.02 118.70 113.86 2ncm s GLU 43 Ca 0.00 -1.21 -0.09 0.00 -0.15 0.00 0.00 54.97 53.52 2ncm s GLU 43 Cb 0.00 0.56 -0.07 0.00 -0.44 0.00 0.00 34.13 34.18 2ncm s GLU 43 CO 0.00 -0.90 0.53 0.21 0.95 0.00 0.00 175.26 176.05 2ncm s LYS 44 N -2.55 3.79 0.14 -4.83 2.20 -1.26 0.70 119.74 117.93 2ncm s LYS 44 Ca 0.16 0.24 0.07 0.00 -0.36 0.00 0.00 55.97 56.08 2ncm s LYS 44 Cb -0.04 -2.69 -0.04 0.00 -1.51 0.00 0.00 37.83 33.54 2ncm s LYS 44 CO 0.09 0.35 -0.03 -0.48 -0.36 0.00 0.00 175.35 174.92 2ncm s LEU 45 N -2.73 3.26 0.69 5.43 0.05 -0.89 -4.73 118.68 119.76 2ncm s LEU 45 Ca 0.46 -0.36 -0.11 0.00 0.05 0.00 0.00 54.13 54.16 2ncm s LEU 45 Cb -0.12 -1.96 0.00 0.00 -2.05 0.00 0.00 46.19 42.06 2ncm s LEU 45 CO 0.21 0.13 1.08 -0.44 -0.55 0.00 0.00 176.35 176.78 2ncm s SER 46 N -2.65 5.59 0.31 1.48 0.01 -1.26 -4.82 113.70 112.35 2ncm s SER 46 Ca 0.26 1.25 0.14 0.00 1.31 0.00 0.00 55.95 58.91 2ncm s SER 46 Cb -0.10 -2.12 0.44 0.00 0.21 0.00 0.00 66.02 64.45 2ncm s SER 46 CO 0.17 -1.26 1.63 -0.65 0.41 0.00 0.00 173.24 173.54 2ncm h PRO 47 N -0.60 0.00 -2.12 12.44 0.11 -1.90 -3.38 132.00 136.55 2ncm h PRO 47 Ca -0.45 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.09 2ncm h PRO 47 Cb 1.23 0.00 -0.39 0.00 0.11 0.00 0.00 31.00 31.96 2ncm h PRO 47 CO 0.63 0.53 -1.06 0.09 -0.21 0.00 0.00 178.00 177.98 2ncm n ASN 48 N -3.63 0.08 -0.01 -2.05 3.02 -1.26 -2.13 115.26 109.28 2ncm n ASN 48 Ca -0.01 -2.62 -0.00 0.00 -0.03 0.00 0.00 54.58 51.93 2ncm n ASN 48 Cb 0.60 -0.62 -0.00 0.00 -0.61 0.00 0.00 39.78 39.15 2ncm n ASN 48 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 2ncm h GLN 49 N 4.49 0.00 0.00 3.52 4.20 -1.74 -3.50 115.11 122.08 2ncm h GLN 49 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 2ncm h GLN 49 Cb 0.88 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.66 2ncm h GLN 49 CO 0.44 0.00 0.00 1.04 -0.67 0.00 0.00 178.83 179.64 2ncm n GLN 50 N -2.36 0.00 -0.11 1.46 6.02 -1.26 -4.99 117.38 116.13 2ncm n GLN 50 Ca -0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.84 2ncm n GLN 50 Cb 0.00 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.13 2ncm n GLN 50 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2ncm n ARG 51 N -2.09 0.67 -2.85 -1.09 1.74 -1.26 -4.87 116.66 106.90 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 -1.53 -0.04 0.00 -1.02 0.00 0.00 32.46 29.87 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 -2.51 4.51 -0.22 0.55 1.01 -1.26 -1.95 121.20 121.34 2ncm s ILE 52 Ca -0.24 0.71 -0.02 0.00 0.00 0.00 0.00 60.65 61.09 2ncm s ILE 52 Cb 0.08 -4.41 0.01 0.00 0.01 0.00 0.00 42.46 38.15 2ncm s ILE 52 CO 0.70 -0.79 -0.08 -0.55 0.00 0.00 0.00 174.94 174.22 2ncm s SER 53 N 2.22 4.06 0.40 3.58 0.15 -0.29 -3.72 113.70 120.09 2ncm s SER 53 Ca 0.36 -0.58 -0.04 0.00 0.70 0.00 0.00 55.95 56.39 2ncm s SER 53 Cb -0.11 -1.66 -0.04 0.00 -1.71 0.00 0.00 66.02 62.50 2ncm s SER 53 CO 0.25 -0.05 0.67 -0.69 1.20 0.00 0.00 173.24 174.62 2ncm s VAL 54 N 1.40 4.98 0.00 4.45 1.01 -0.91 -1.68 120.40 129.66 2ncm s VAL 54 Ca 0.04 -0.01 -0.21 0.00 0.00 0.00 0.00 61.98 61.80 2ncm s VAL 54 Cb -0.15 -3.83 0.04 0.00 0.00 0.00 0.00 36.38 32.44 2ncm s VAL 54 CO -0.06 -0.65 0.46 0.54 0.00 0.00 0.00 175.10 175.39 2ncm s VAL 55 N -2.47 0.04 -0.29 2.92 0.11 -0.65 -4.90 120.40 115.16 2ncm s VAL 55 Ca 0.45 -0.33 0.02 0.00 -2.93 0.00 0.00 61.98 59.19 2ncm s VAL 55 Cb -0.10 -0.86 0.08 0.00 -1.53 0.00 0.00 36.38 33.97 2ncm s VAL 55 CO 0.39 -0.18 -0.00 0.26 -3.33 0.00 0.00 175.10 172.23 2ncm s TRP 56 N -1.80 3.02 0.00 1.54 0.51 -1.26 -1.19 118.94 119.77 2ncm s TRP 56 Ca -0.09 -2.37 0.00 0.00 -2.12 0.00 0.00 56.10 51.52 2ncm s TRP 56 Cb -0.02 -2.21 0.00 0.00 -0.81 0.00 0.00 33.47 30.43 2ncm s TRP 56 CO 0.03 -0.88 0.00 0.09 -0.51 0.00 0.00 176.95 175.68 2ncm n ASN 57 N 4.48 0.00 -3.27 2.95 3.02 -0.52 -5.00 115.26 116.92 2ncm n ASN 57 Ca -0.05 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.26 2ncm n ASN 57 Cb 0.43 0.00 0.22 0.00 -0.61 0.00 0.00 39.78 39.81 2ncm n ASN 57 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2ncm n ASP 58 N -0.98 -2.77 -0.13 6.41 8.00 -1.21 -4.88 116.55 121.00 2ncm n ASP 58 Ca 0.00 -0.88 0.15 0.00 0.71 0.00 0.00 54.79 54.76 2ncm n ASP 58 Cb 0.00 -0.81 0.52 0.00 -0.02 0.00 0.00 41.12 40.81 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 -2.83 0.35 0.00 -2.24 3.58 -2.03 -3.28 116.42 109.98 2ncm h ASP 59 Ca -0.33 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.14 2ncm h ASP 59 Cb 1.04 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.03 2ncm h ASP 59 CO 0.20 0.19 0.00 0.47 -2.88 0.00 0.00 179.24 177.23 2ncm n ASP 60 N -4.47 0.00 -4.80 2.28 8.00 -1.26 -5.03 116.55 111.27 2ncm n ASP 60 Ca 0.13 -1.00 -0.37 0.00 0.71 0.00 0.00 54.79 54.25 2ncm n ASP 60 Cb 0.49 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.53 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 0.00 6.66 -0.03 -2.24 1.04 -1.24 -4.62 113.70 113.27 2ncm s SER 61 Ca 0.00 0.78 -0.01 0.00 0.48 0.00 0.00 55.95 57.21 2ncm s SER 61 Cb 0.00 -2.22 0.02 0.00 0.10 0.00 0.00 66.02 63.92 2ncm s SER 61 CO 0.00 0.24 0.05 -0.44 0.98 0.00 0.00 173.24 174.07 2ncm s SER 62 N -0.49 0.01 0.01 7.02 0.01 -0.86 -1.44 113.70 117.95 2ncm s SER 62 Ca 0.21 0.10 -0.01 0.00 1.31 0.00 0.00 55.95 57.56 2ncm s SER 62 Cb -0.15 0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.06 2ncm s SER 62 CO 0.10 -0.10 0.12 -0.89 0.41 0.00 0.00 173.24 172.88 2ncm s THR 63 N 0.78 4.96 -0.54 1.44 2.01 -0.33 -1.40 115.64 122.56 2ncm s THR 63 Ca -0.06 -0.36 -0.04 0.00 0.31 0.00 0.00 61.69 61.53 2ncm s THR 63 Cb -0.09 -3.31 0.14 0.00 0.01 0.00 0.00 72.50 69.26 2ncm s THR 63 CO -0.03 0.31 0.36 -0.22 -0.69 0.00 0.00 174.62 174.36 2ncm s LEU 64 N -1.90 5.37 0.19 4.42 0.20 -0.71 -1.63 118.68 124.62 2ncm s LEU 64 Ca 0.25 -2.45 -0.22 0.00 0.69 0.00 0.00 54.13 52.41 2ncm s LEU 64 Cb -0.12 -1.88 -0.08 0.00 -0.43 0.00 0.00 46.19 43.68 2ncm s LEU 64 CO 0.17 -0.48 0.74 -0.89 -0.29 0.00 0.00 176.35 175.60 2ncm s THR 65 N 0.54 4.49 -0.35 3.68 2.01 -0.68 -1.94 115.64 123.40 2ncm s THR 65 Ca 0.13 1.45 -0.00 0.00 0.31 0.00 0.00 61.69 63.58 2ncm s THR 65 Cb -0.21 -3.97 0.14 0.00 0.01 0.00 0.00 72.50 68.46 2ncm s THR 65 CO -0.04 0.35 0.20 -0.63 -0.69 0.00 0.00 174.62 173.82 2ncm s ILE 66 N -1.36 0.17 0.00 1.82 1.01 -0.10 -1.14 121.20 121.61 2ncm s ILE 66 Ca 0.39 -1.65 0.00 0.00 0.00 0.00 0.00 60.65 59.39 2ncm s ILE 66 Cb -0.19 -1.14 0.00 0.00 0.01 0.00 0.00 42.46 41.14 2ncm s ILE 66 CO 0.23 -0.96 0.00 -1.22 0.00 0.00 0.00 174.94 172.99 2ncm n TYR 67 N 4.14 0.00 -1.54 3.97 4.01 -0.82 -1.32 117.16 125.61 2ncm n TYR 67 Ca 0.10 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.55 2ncm n TYR 67 Cb 0.37 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.31 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 1.28 -4.77 7.72 5.15 -1.26 -3.50 115.26 119.88 2ncm n ASN 68 Ca 0.00 -0.63 -0.38 0.00 -0.60 0.00 0.00 54.58 52.97 2ncm n ASN 68 Cb 0.00 -1.33 -0.04 0.00 -0.53 0.00 0.00 39.78 37.87 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 10.70 3.24 0.06 5.20 0.00 -0.93 -4.79 121.76 135.24 2ncm s ALA 69 Ca 1.09 0.76 0.02 0.00 0.00 0.00 0.00 51.96 53.83 2ncm s ALA 69 Cb -0.47 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.34 2ncm s ALA 69 CO 0.30 -0.13 -0.07 -0.80 0.00 0.00 0.00 175.76 175.06 2ncm s ASN 70 N -1.27 0.93 0.59 0.00 0.01 -1.26 -2.60 114.94 111.35 2ncm s ASN 70 Ca 0.51 -0.71 0.29 0.00 -0.71 0.00 0.00 52.86 52.23 2ncm s ASN 70 Cb -0.26 0.06 1.49 0.00 0.41 0.00 0.00 41.25 42.95 2ncm s ASN 70 CO 0.33 -0.30 1.91 0.16 -1.51 0.00 0.00 177.10 177.69 2ncm h ILE 71 N 3.97 0.36 -0.23 0.60 -2.65 -1.95 0.10 117.51 117.71 2ncm h ILE 71 Ca -0.36 0.00 -0.15 0.00 1.03 0.00 0.00 64.86 65.39 2ncm h ILE 71 Cb 1.19 0.63 0.00 0.00 -2.05 0.00 0.00 36.82 36.59 2ncm h ILE 71 CO 0.49 0.00 -0.42 0.44 0.03 0.00 0.00 178.15 178.69 2ncm h ASP 72 N 0.00 0.78 -0.31 2.16 3.32 -1.96 -3.09 116.42 117.32 2ncm h ASP 72 Ca 0.20 -0.54 -0.04 0.00 0.02 0.00 0.00 57.03 56.68 2ncm h ASP 72 Cb 1.11 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.42 2ncm h ASP 72 CO -0.00 1.17 0.09 0.44 -1.72 0.00 0.00 179.24 179.21 2ncm h ASP 73 N 0.42 0.53 -1.43 6.45 5.19 -1.22 -3.43 116.42 122.93 2ncm h ASP 73 Ca 0.01 -0.08 -0.65 0.00 -0.62 0.00 0.00 57.03 55.70 2ncm h ASP 73 Cb 1.02 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 40.39 2ncm h ASP 73 CO 0.10 0.54 1.36 0.00 -3.12 0.00 0.00 179.24 178.11 2ncm n ALA 74 N -2.47 1.13 0.00 3.45 0.00 -0.94 -4.84 120.51 116.84 2ncm n ALA 74 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2ncm n ALA 74 Cb 0.20 -2.60 0.00 0.00 0.00 0.00 0.00 19.45 17.05 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 5.96 -0.92 3.55 0.00 0.00 0.79 -4.90 105.19 109.66 2ncm n GLY 75 Ca 0.35 -1.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 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 3.87 0.90 -0.61 -1.09 -1.26 -1.73 121.20 119.28 2ncm s ILE 76 Ca 0.00 -0.18 -0.12 0.00 -2.23 0.00 0.00 60.65 58.12 2ncm s ILE 76 Cb 0.00 -4.96 0.13 0.00 -1.58 0.00 0.00 42.46 36.05 2ncm s ILE 76 CO 0.00 -1.86 1.10 -0.31 -1.23 0.00 0.00 174.94 172.64 2ncm s TYR 77 N 5.24 2.41 0.13 3.97 1.51 -0.69 -3.83 117.35 126.09 2ncm s TYR 77 Ca 0.39 1.09 0.04 0.00 -1.01 0.00 0.00 57.07 57.58 2ncm s TYR 77 Cb -0.05 -3.22 -0.04 0.00 -0.11 0.00 0.00 41.96 38.54 2ncm s TYR 77 CO 0.04 -2.38 -0.10 0.21 -1.11 0.00 0.00 175.55 172.20 2ncm s LYS 78 N -5.06 0.98 -0.29 -0.62 2.20 -0.04 -1.98 119.74 114.95 2ncm s LYS 78 Ca 0.63 -1.34 -0.04 0.00 -0.36 0.00 0.00 55.97 54.86 2ncm s LYS 78 Cb -0.17 -0.60 0.10 0.00 -1.51 0.00 0.00 37.83 35.65 2ncm s LYS 78 CO 0.56 0.08 0.13 0.00 -0.36 0.00 0.00 175.35 175.76 2ncm s VAL 80 N 2.11 4.12 0.20 0.00 1.01 -0.63 -0.37 120.40 126.83 2ncm s VAL 80 Ca 0.09 -0.27 0.07 0.00 0.00 0.00 0.00 61.98 61.86 2ncm s VAL 80 Cb -0.16 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 2ncm s VAL 80 CO -0.36 0.48 0.09 -0.69 0.00 0.00 0.00 175.10 174.62 2ncm s VAL 81 N 0.39 4.11 0.05 2.92 1.01 -0.70 -0.08 120.40 128.11 2ncm s VAL 81 Ca -0.02 -1.35 0.04 0.00 0.00 0.00 0.00 61.98 60.65 2ncm s VAL 81 Cb -0.14 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 2ncm s VAL 81 CO 0.02 -0.19 -0.11 -0.89 0.00 0.00 0.00 175.10 173.93 2ncm s THR 82 N -1.88 0.87 0.26 3.92 2.01 -0.83 -0.76 115.64 119.23 2ncm s THR 82 Ca 0.30 -1.14 0.01 0.00 0.31 0.00 0.00 61.69 61.17 2ncm s THR 82 Cb -0.09 -0.86 0.05 0.00 0.01 0.00 0.00 72.50 71.61 2ncm s THR 82 CO 0.22 -0.24 0.36 0.00 -0.69 0.00 0.00 174.62 174.26 2ncm n ALA 83 N 1.48 0.17 -0.03 7.40 0.00 0.10 -1.80 120.51 127.83 2ncm n ALA 83 Ca -0.21 -0.75 -0.15 0.00 0.00 0.00 0.00 53.44 52.33 2ncm n ALA 83 Cb 0.54 0.14 -0.11 0.00 0.00 0.00 0.00 19.45 20.02 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 0.11 -0.23 0.00 4.81 -1.87 -3.33 114.58 114.07 2ncm h GLU 84 Ca -0.12 -0.12 -0.17 0.00 -0.13 0.00 0.00 59.36 58.82 2ncm h GLU 84 Cb 0.46 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 2ncm h GLU 84 CO 0.14 0.87 -0.55 0.38 -0.73 0.00 0.00 179.01 179.11 2ncm h ASP 85 N -0.60 0.77 0.00 1.04 2.03 -1.97 -3.47 116.42 114.22 2ncm h ASP 85 Ca -0.02 -0.42 0.00 0.00 -0.73 0.00 0.00 57.03 55.87 2ncm h ASP 85 Cb 0.92 -0.22 0.00 0.00 -0.83 0.00 0.00 39.33 39.20 2ncm h ASP 85 CO 0.03 1.17 0.00 0.61 -1.03 0.00 0.00 179.24 180.02 2ncm n GLY 86 N 0.31 0.46 3.56 7.15 0.00 -1.25 -5.11 105.19 110.31 2ncm n GLY 86 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 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 0.24 -4.79 2.61 -1.04 -1.26 -4.48 114.28 105.56 2ncm n THR 87 Ca 0.00 -0.47 -0.33 0.00 -2.04 0.00 0.00 64.05 61.21 2ncm n THR 87 Cb 0.00 -2.40 -0.13 0.00 -1.82 0.00 0.00 70.33 65.98 2ncm n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ncm s GLN 88 N 6.69 3.02 0.52 -2.82 -2.07 -1.26 -0.72 119.66 123.02 2ncm s GLN 88 Ca 1.03 -0.67 0.05 0.00 -1.82 0.00 0.00 55.36 53.95 2ncm s GLN 88 Cb -0.42 -2.55 0.09 0.00 -1.09 0.00 0.00 33.01 29.04 2ncm s GLN 88 CO 0.37 0.41 0.71 -1.13 -1.32 0.00 0.00 175.29 174.33 2ncm n SER 89 N 2.96 1.49 -3.67 12.60 3.41 0.06 -4.90 113.62 125.56 2ncm n SER 89 Ca -0.18 -2.13 -0.07 0.00 -0.26 0.00 0.00 58.87 56.23 2ncm n SER 89 Cb 0.53 -0.41 -0.01 0.00 -0.26 0.00 0.00 64.21 64.05 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 -4.32 1.83 0.29 4.33 -1.05 -1.26 -1.73 118.70 116.80 2ncm s GLU 90 Ca 0.51 -1.05 -0.14 0.00 -0.15 0.00 0.00 54.97 54.15 2ncm s GLU 90 Cb -0.04 0.60 0.01 0.00 -0.44 0.00 0.00 34.13 34.26 2ncm s GLU 90 CO 0.33 -0.84 0.59 0.00 0.95 0.00 0.00 175.26 176.29 2ncm s ALA 91 N -3.56 -0.40 0.06 -0.84 0.00 0.50 -4.66 121.76 112.87 2ncm s ALA 91 Ca 0.12 -0.83 -0.16 0.00 0.00 0.00 0.00 51.96 51.10 2ncm s ALA 91 Cb -0.05 0.97 0.03 0.00 0.00 0.00 0.00 23.12 24.06 2ncm s ALA 91 CO 0.08 -0.91 0.36 0.95 0.00 0.00 0.00 175.76 176.24 2ncm s THR 92 N -3.55 0.07 -0.09 0.00 -4.23 -1.26 -1.90 115.64 104.68 2ncm s THR 92 Ca 0.20 -0.59 -0.03 0.00 -1.18 0.00 0.00 61.69 60.09 2ncm s THR 92 Cb -0.03 -0.99 0.05 0.00 1.34 0.00 0.00 72.50 72.87 2ncm s THR 92 CO 0.11 -0.32 0.15 0.54 -0.54 0.00 0.00 174.62 174.55 2ncm s VAL 93 N -2.75 -0.24 -1.02 2.29 0.11 -0.84 -4.62 120.40 113.33 2ncm s VAL 93 Ca -0.04 0.31 -0.23 0.00 -2.93 0.00 0.00 61.98 59.10 2ncm s VAL 93 Cb -0.00 -0.31 0.01 0.00 -1.53 0.00 0.00 36.38 34.55 2ncm s VAL 93 CO -0.04 0.11 1.67 0.21 -3.33 0.00 0.00 175.10 173.71 2ncm s ASN 94 N 2.27 6.02 -0.05 3.54 2.47 -0.65 -1.70 114.94 126.84 2ncm s ASN 94 Ca 0.04 -1.33 -0.22 0.00 0.42 0.00 0.00 52.86 51.76 2ncm s ASN 94 Cb -0.12 -2.57 -0.04 0.00 -1.45 0.00 0.00 41.25 37.06 2ncm s ASN 94 CO -0.06 -1.96 0.64 -0.69 -3.72 0.00 0.00 177.10 171.31 2ncm s VAL 95 N 6.88 5.01 0.18 -5.21 1.01 -0.70 -0.93 120.40 126.63 2ncm s VAL 95 Ca 0.56 1.33 0.10 0.00 0.00 0.00 0.00 61.98 63.96 2ncm s VAL 95 Cb -0.02 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 2ncm s VAL 95 CO -0.04 0.32 -0.17 -0.75 0.00 0.00 0.00 175.10 174.45 2ncm s LYS 96 N 0.45 1.77 -0.10 2.72 2.20 -0.34 -0.15 119.74 126.30 2ncm s LYS 96 Ca 0.34 -1.37 -0.04 0.00 -0.36 0.00 0.00 55.97 54.54 2ncm s LYS 96 Cb -0.18 -2.01 0.05 0.00 -1.51 0.00 0.00 37.83 34.18 2ncm s LYS 96 CO 0.17 0.43 0.22 0.42 -0.36 0.00 0.00 175.35 176.22 2ncm s ILE 97 N -1.59 -0.09 -0.06 5.43 1.01 -1.25 -1.94 121.20 122.71 2ncm s ILE 97 Ca 0.22 0.18 0.04 0.00 0.00 0.00 0.00 60.65 61.09 2ncm s ILE 97 Cb -0.09 -0.35 -0.00 0.00 0.01 0.00 0.00 42.46 42.04 2ncm s ILE 97 CO 0.12 0.07 -0.18 0.72 0.00 0.00 0.00 174.94 175.67 2ncm s PHE 98 N 1.40 1.90 -2.66 3.97 -0.71 -0.76 -4.60 117.98 116.51 2ncm s PHE 98 Ca -0.08 -0.63 0.27 0.00 -1.04 0.00 0.00 56.93 55.45 2ncm s PHE 98 Cb -0.11 -1.29 0.77 0.00 -1.21 0.00 0.00 43.02 41.18 2ncm s PHE 98 CO -0.08 -0.24 1.59 0.94 -1.34 0.00 0.00 175.22 176.09