#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 2.57 -3.39 1.55 0.24 -1.26 -4.99 118.33 113.04 2ncm n VAL 2 Ca 0.00 -5.22 -0.13 0.00 -2.04 0.00 0.00 64.34 56.95 2ncm n VAL 2 Cb 0.00 -2.14 -0.09 0.00 -1.47 0.00 0.00 33.84 30.14 2ncm n VAL 2 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2ncm s LEU 3 N -2.22 -0.42 0.01 1.34 2.96 -1.25 -3.36 118.68 115.73 2ncm s LEU 3 Ca 0.35 -0.24 0.02 0.00 -0.22 0.00 0.00 54.13 54.04 2ncm s LEU 3 Cb 0.08 0.78 -0.01 0.00 0.50 0.00 0.00 46.19 47.54 2ncm s LEU 3 CO -0.04 -0.34 -0.07 -1.58 -1.32 0.00 0.00 176.35 173.00 2ncm s GLN 4 N 2.44 0.56 -0.12 1.98 0.74 0.44 -4.92 119.66 120.80 2ncm s GLN 4 Ca 0.10 -0.37 -0.12 0.00 0.05 0.00 0.00 55.36 55.02 2ncm s GLN 4 Cb -0.15 -0.51 0.03 0.00 1.10 0.00 0.00 33.01 33.49 2ncm s GLN 4 CO -0.22 0.13 0.34 0.08 -0.55 0.00 0.00 175.29 175.08 2ncm s VAL 5 N -0.42 0.01 -0.21 1.34 1.01 -1.26 -0.68 120.40 120.19 2ncm s VAL 5 Ca 0.00 -0.05 -0.14 0.00 0.00 0.00 0.00 61.98 61.79 2ncm s VAL 5 Cb -0.04 -0.50 0.06 0.00 0.00 0.00 0.00 36.38 35.90 2ncm s VAL 5 CO -0.00 -0.03 0.53 -1.81 0.00 0.00 0.00 175.10 173.79 2ncm s ASP 6 N 0.02 -0.66 -0.09 3.32 1.01 -0.85 -4.74 116.67 114.67 2ncm s ASP 6 Ca -0.01 1.14 -0.17 0.00 0.71 0.00 0.00 52.55 54.21 2ncm s ASP 6 Cb -0.03 1.05 -0.05 0.00 1.01 0.00 0.00 42.92 44.91 2ncm s ASP 6 CO 0.01 -0.21 0.46 -0.63 0.21 0.00 0.00 175.17 175.01 2ncm s ILE 7 N 1.19 5.15 -0.16 0.77 1.01 -1.26 -1.82 121.20 126.08 2ncm s ILE 7 Ca -0.07 0.93 -0.01 0.00 0.00 0.00 0.00 60.65 61.49 2ncm s ILE 7 Cb -0.06 -3.80 -0.01 0.00 0.01 0.00 0.00 42.46 38.60 2ncm s ILE 7 CO -0.12 0.38 -0.11 -0.69 0.00 0.00 0.00 174.94 174.40 2ncm s VAL 8 N 0.29 3.05 0.81 2.92 1.01 -0.73 -3.65 120.40 124.10 2ncm s VAL 8 Ca 0.25 -0.64 -0.11 0.00 0.00 0.00 0.00 61.98 61.49 2ncm s VAL 8 Cb -0.15 -2.31 0.11 0.00 0.00 0.00 0.00 36.38 34.02 2ncm s VAL 8 CO 0.11 0.50 1.15 -2.16 0.00 0.00 0.00 175.10 174.70 2ncm s PRO 9 N 0.79 1.66 0.14 2.72 0.04 -1.26 -1.83 135.00 137.27 2ncm s PRO 9 Ca -0.04 -0.23 -0.11 0.00 0.04 0.00 0.00 61.00 60.66 2ncm s PRO 9 Cb -0.15 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 2ncm s PRO 9 CO 0.01 -1.69 1.47 0.66 0.04 0.00 0.00 177.00 177.48 2ncm h SER 10 N -1.03 0.99 -3.27 6.66 4.64 -1.93 -3.42 113.55 116.18 2ncm h SER 10 Ca -0.44 -0.47 -0.50 0.00 -0.47 0.00 0.00 61.79 59.91 2ncm h SER 10 Cb 1.30 -0.28 -0.39 0.00 -0.31 0.00 0.00 62.40 62.71 2ncm h SER 10 CO 0.55 1.27 -0.77 0.00 -0.87 0.00 0.00 176.83 177.01 2ncm s GLN 11 N -4.34 0.70 -0.50 4.77 -2.07 -1.26 -1.59 119.66 115.37 2ncm s GLN 11 Ca -0.11 -0.28 -0.07 0.00 -1.82 0.00 0.00 55.36 53.08 2ncm s GLN 11 Cb 0.11 -1.80 0.13 0.00 -1.09 0.00 0.00 33.01 30.36 2ncm s GLN 11 CO 0.88 -0.53 0.35 0.20 -1.32 0.00 0.00 175.29 174.87 2ncm s GLY 12 N 1.87 2.14 -0.17 2.60 0.00 -0.60 -5.00 107.32 108.16 2ncm s GLY 12 Ca 0.01 -2.70 -0.24 0.00 0.00 0.00 0.00 44.72 41.79 2ncm s GLY 12 CO -0.07 1.10 0.75 -0.54 0.00 0.00 0.00 173.10 174.34 2ncm s GLU 13 N 1.00 4.28 0.12 2.90 2.02 -1.26 -1.68 118.70 126.09 2ncm s GLU 13 Ca 0.09 0.87 -0.02 0.00 0.02 0.00 0.00 54.97 55.93 2ncm s GLU 13 Cb -0.23 -3.56 -0.04 0.00 0.10 0.00 0.00 34.13 30.40 2ncm s GLU 13 CO -0.03 -0.26 0.07 0.42 0.02 0.00 0.00 175.26 175.49 2ncm s ILE 14 N 1.94 0.12 0.19 -1.63 1.09 -0.83 -4.97 121.20 117.11 2ncm s ILE 14 Ca 0.35 -1.82 0.04 0.00 -1.10 0.00 0.00 60.65 58.12 2ncm s ILE 14 Cb -0.16 -1.93 -0.03 0.00 -1.06 0.00 0.00 42.46 39.27 2ncm s ILE 14 CO 0.12 -0.53 0.27 -0.94 -0.10 0.00 0.00 174.94 173.76 2ncm s SER 15 N -3.02 6.08 0.38 3.58 1.04 -1.26 -1.82 113.70 118.68 2ncm s SER 15 Ca 0.20 0.04 -0.28 0.00 0.48 0.00 0.00 55.95 56.39 2ncm s SER 15 Cb 0.07 -1.75 -0.10 0.00 0.10 0.00 0.00 66.02 64.34 2ncm s SER 15 CO -0.00 0.01 1.39 -0.69 0.98 0.00 0.00 173.24 174.92 2ncm s VAL 16 N -1.86 2.37 0.00 5.02 1.01 -0.81 -2.05 120.40 124.08 2ncm s VAL 16 Ca 0.33 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.67 2ncm s VAL 16 Cb -0.10 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.06 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 0.62 1.73 3.96 4.51 0.00 -0.37 -5.00 105.19 110.64 2ncm n GLY 17 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.52 3.45 0.05 1.61 0.41 -0.87 -4.78 118.70 118.05 2ncm s GLU 18 Ca 0.00 -0.67 0.00 0.00 -0.41 0.00 0.00 54.97 53.89 2ncm s GLU 18 Cb 0.00 -2.86 -0.04 0.00 -1.78 0.00 0.00 34.13 29.45 2ncm s GLU 18 CO 0.00 0.39 0.17 -1.54 -0.49 0.00 0.00 175.26 173.79 2ncm s SER 19 N -3.92 6.13 -0.14 -0.19 1.04 -0.70 -3.80 113.70 112.12 2ncm s SER 19 Ca 0.35 0.21 -0.06 0.00 0.48 0.00 0.00 55.95 56.93 2ncm s SER 19 Cb -0.09 -1.84 0.06 0.00 0.10 0.00 0.00 66.02 64.25 2ncm s SER 19 CO 0.30 0.19 0.30 -1.59 0.98 0.00 0.00 173.24 173.42 2ncm s LYS 20 N -2.36 0.23 0.08 4.02 -2.85 -0.77 -4.95 119.74 113.14 2ncm s LYS 20 Ca 0.32 0.73 0.07 0.00 -1.00 0.00 0.00 55.97 56.10 2ncm s LYS 20 Cb -0.13 -0.01 -0.04 0.00 -2.06 0.00 0.00 37.83 35.60 2ncm s LYS 20 CO 0.25 -0.22 -0.14 -0.59 0.10 0.00 0.00 175.35 174.74 2ncm s PHE 21 N 1.95 2.64 -0.13 1.78 -0.12 -1.26 -0.63 117.98 122.21 2ncm s PHE 21 Ca -0.04 -0.20 -0.00 0.00 -0.05 0.00 0.00 56.93 56.64 2ncm s PHE 21 Cb -0.11 -1.43 0.02 0.00 -0.63 0.00 0.00 43.02 40.88 2ncm s PHE 21 CO -0.10 0.37 -0.10 -0.06 -0.05 0.00 0.00 175.22 175.28 2ncm s PHE 22 N -1.11 1.77 -0.47 3.49 0.08 -0.72 -4.76 117.98 116.26 2ncm s PHE 22 Ca 0.18 -0.95 -0.29 0.00 0.12 0.00 0.00 56.93 56.00 2ncm s PHE 22 Cb -0.11 -1.38 0.02 0.00 -0.57 0.00 0.00 43.02 40.98 2ncm s PHE 22 CO 0.10 -0.58 1.25 -1.17 -0.10 0.00 0.00 175.22 174.72 2ncm s LEU 23 N 1.62 3.59 -0.96 -0.37 1.98 -0.76 -1.45 118.68 122.32 2ncm s LEU 23 Ca 0.05 0.55 -0.21 0.00 -2.89 0.00 0.00 54.13 51.63 2ncm s LEU 23 Cb -0.13 -3.50 0.09 0.00 0.66 0.00 0.00 46.19 43.31 2ncm s LEU 23 CO -0.09 -1.36 1.28 0.00 -1.89 0.00 0.00 176.35 174.29 2ncm s GLN 25 N 3.95 4.05 0.38 0.00 -0.21 -0.76 -2.17 119.66 124.91 2ncm s GLN 25 Ca 0.39 0.83 0.06 0.00 0.02 0.00 0.00 55.36 56.66 2ncm s GLN 25 Cb -0.03 -2.32 -0.08 0.00 1.00 0.00 0.00 33.01 31.59 2ncm s GLN 25 CO -0.08 0.04 0.02 0.14 -2.12 0.00 0.00 175.29 173.29 2ncm s VAL 26 N -2.14 1.77 -0.30 1.09 -7.23 -1.26 -2.01 120.40 110.32 2ncm s VAL 26 Ca 0.57 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.67 2ncm s VAL 26 Cb -0.10 -2.94 0.19 0.00 0.56 0.00 0.00 36.38 34.09 2ncm s VAL 26 CO 0.18 -0.00 0.90 0.00 -0.31 0.00 0.00 175.10 175.87 2ncm s ALA 27 N -2.88 -3.33 0.00 1.32 0.00 0.15 -4.90 121.76 112.12 2ncm s ALA 27 Ca 0.35 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.68 2ncm s ALA 27 Cb 0.10 -2.61 0.00 0.00 0.00 0.00 0.00 23.12 20.61 2ncm s ALA 27 CO 0.17 -1.78 0.00 0.41 0.00 0.00 0.00 175.76 174.56 2ncm n GLY 28 N 5.31 3.77 2.70 0.00 0.00 -1.26 -0.42 105.19 115.30 2ncm n GLY 28 Ca 0.03 -0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 2ncm n GLY 28 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ncm n ASP 29 N 0.00 7.09 -4.36 1.61 8.00 -1.25 -4.84 116.55 122.79 2ncm n ASP 29 Ca 0.00 -3.53 -0.44 0.00 0.71 0.00 0.00 54.79 51.54 2ncm n ASP 29 Cb 0.00 -1.16 0.00 0.00 -0.02 0.00 0.00 41.12 39.94 2ncm n ASP 29 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ncm n ALA 30 N 0.20 4.12 -0.04 2.24 0.00 -1.21 -4.94 120.51 120.88 2ncm n ALA 30 Ca 0.52 -4.22 0.00 0.00 0.00 0.00 0.00 53.44 49.74 2ncm n ALA 30 Cb 0.37 -3.10 0.00 0.00 0.00 0.00 0.00 19.45 16.72 2ncm n ALA 30 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2ncm n LYS 31 N 5.59 0.00 -4.66 0.00 0.00 -1.26 -4.25 118.16 113.57 2ncm n LYS 31 Ca 0.39 0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 58.46 2ncm n LYS 31 Cb 0.42 0.00 -0.15 0.00 -0.00 0.00 0.00 35.03 35.29 2ncm n LYS 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2ncm s ASP 32 N -4.00 1.74 0.04 -5.58 1.01 -1.26 -5.05 116.67 103.57 2ncm s ASP 32 Ca 0.00 -0.27 0.06 0.00 0.71 0.00 0.00 52.55 53.04 2ncm s ASP 32 Cb 0.00 -0.35 -0.02 0.00 1.01 0.00 0.00 42.92 43.56 2ncm s ASP 32 CO 0.00 0.15 -0.16 -0.54 0.21 0.00 0.00 175.17 174.82 2ncm s LYS 33 N -0.10 1.10 -0.20 8.23 1.02 -1.26 -2.53 119.74 125.99 2ncm s LYS 33 Ca 0.01 -0.82 0.01 0.00 0.02 0.00 0.00 55.97 55.18 2ncm s LYS 33 Cb -0.08 -1.15 0.04 0.00 -0.52 0.00 0.00 37.83 36.12 2ncm s LYS 33 CO 0.00 0.29 -0.10 0.34 -0.92 0.00 0.00 175.35 174.96 2ncm s ASP 34 N -1.15 3.42 0.58 2.83 2.15 -0.60 -4.89 116.67 119.01 2ncm s ASP 34 Ca 0.04 -0.90 -0.15 0.00 0.43 0.00 0.00 52.55 51.96 2ncm s ASP 34 Cb -0.08 -1.24 -0.05 0.00 -0.30 0.00 0.00 42.92 41.26 2ncm s ASP 34 CO 0.01 -0.15 1.03 -0.63 -0.17 0.00 0.00 175.17 175.27 2ncm s ILE 35 N 1.39 4.11 0.11 4.11 1.09 -1.26 -1.69 121.20 129.06 2ncm s ILE 35 Ca -0.01 0.95 -0.15 0.00 -1.10 0.00 0.00 60.65 60.34 2ncm s ILE 35 Cb -0.16 -3.52 0.03 0.00 -1.06 0.00 0.00 42.46 37.75 2ncm s ILE 35 CO -0.08 -0.63 0.36 -0.44 -0.10 0.00 0.00 174.94 174.05 2ncm s SER 36 N -3.05 -0.17 -0.13 3.58 0.01 0.16 -4.94 113.70 109.15 2ncm s SER 36 Ca 0.61 -0.33 -0.02 0.00 1.31 0.00 0.00 55.95 57.51 2ncm s SER 36 Cb -0.14 0.44 0.04 0.00 0.21 0.00 0.00 66.02 66.58 2ncm s SER 36 CO 0.38 -0.80 0.02 0.26 0.41 0.00 0.00 173.24 173.51 2ncm s TRP 37 N -3.61 0.79 -0.27 2.43 0.52 -1.26 -1.67 118.94 115.87 2ncm s TRP 37 Ca 0.02 -0.47 -0.00 0.00 0.02 0.00 0.00 56.10 55.67 2ncm s TRP 37 Cb 0.02 -0.89 0.04 0.00 -1.15 0.00 0.00 33.47 31.49 2ncm s TRP 37 CO -0.10 -0.46 -0.06 -0.06 0.02 0.00 0.00 176.95 176.29 2ncm s PHE 38 N 1.94 3.18 0.79 -1.98 0.40 -0.74 -1.86 117.98 119.70 2ncm s PHE 38 Ca 0.02 -1.88 -0.13 0.00 -0.60 0.00 0.00 56.93 54.34 2ncm s PHE 38 Cb -0.14 -2.04 0.07 0.00 0.51 0.00 0.00 43.02 41.42 2ncm s PHE 38 CO -0.07 -0.80 1.19 -1.54 0.70 0.00 0.00 175.22 174.71 2ncm s SER 39 N 1.24 3.76 0.00 1.36 1.04 -0.50 0.17 113.70 120.76 2ncm s SER 39 Ca -0.04 2.32 0.00 0.00 0.48 0.00 0.00 55.95 58.71 2ncm s SER 39 Cb -0.18 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.35 2ncm s SER 39 CO -0.04 -2.55 0.62 -2.65 0.98 0.00 0.00 173.24 169.59 2ncm n PRO 40 N -3.22 0.00 -1.62 4.02 -0.01 -1.17 -2.10 135.00 130.90 2ncm n PRO 40 Ca 0.13 0.62 -0.17 0.00 -0.01 0.00 0.00 63.50 64.07 2ncm n PRO 40 Cb 0.51 -0.96 0.07 0.00 -0.01 0.00 0.00 33.50 33.11 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 -2.29 4.21 -0.00 2.55 4.05 -1.26 -4.62 115.26 117.89 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 -0.42 -0.00 0.00 1.23 0.00 0.00 39.78 40.59 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 -0.83 0.01 6.44 8.20 0.00 -0.89 -5.14 105.19 112.97 2ncm n GLY 42 Ca 0.39 -0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.41 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 -1.50 -0.12 -1.52 1.61 1.02 -0.96 -4.67 120.64 114.51 2ncm n GLU 43 Ca -0.00 0.08 -0.46 0.00 -0.02 0.00 0.00 57.16 56.76 2ncm n GLU 43 Cb 0.00 -0.15 -0.05 0.00 -0.02 0.00 0.00 31.44 31.22 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 -1.07 1.41 -1.34 3.49 4.81 -1.26 -1.41 118.16 122.79 2ncm n LYS 44 Ca 0.00 0.35 -0.29 0.00 -0.87 0.00 0.00 58.31 57.51 2ncm n LYS 44 Cb 0.03 -2.85 0.17 0.00 0.02 0.00 0.00 35.03 32.40 2ncm n LYS 44 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2ncm s LEU 45 N 8.25 1.66 0.31 3.14 1.43 -0.78 -4.96 118.68 127.73 2ncm s LEU 45 Ca 1.06 0.96 -0.14 0.00 -1.03 0.00 0.00 54.13 54.98 2ncm s LEU 45 Cb -0.59 -3.12 -0.08 0.00 0.03 0.00 0.00 46.19 42.43 2ncm s LEU 45 CO 0.41 -3.05 0.70 -0.44 0.23 0.00 0.00 176.35 174.21 2ncm s SER 46 N -3.82 6.72 0.43 2.29 0.01 -1.26 -4.93 113.70 113.14 2ncm s SER 46 Ca 0.66 1.20 0.22 0.00 1.31 0.00 0.00 55.95 59.35 2ncm s SER 46 Cb -0.15 -2.34 0.89 0.00 0.21 0.00 0.00 66.02 64.62 2ncm s SER 46 CO 0.55 -0.20 1.82 1.55 0.41 0.00 0.00 173.24 177.37 2ncm h PRO 47 N 2.22 0.00 -1.68 12.44 0.13 -1.88 -3.38 132.00 139.85 2ncm h PRO 47 Ca -0.48 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.29 2ncm h PRO 47 Cb 1.17 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.03 2ncm h PRO 47 CO 0.66 0.26 -0.73 -0.80 -0.23 0.00 0.00 178.00 177.16 2ncm s ASN 48 N -6.28 -0.01 0.00 1.44 0.01 -1.26 -2.26 114.94 106.59 2ncm s ASN 48 Ca 0.00 -2.38 0.00 0.00 -0.71 0.00 0.00 52.86 49.77 2ncm s ASN 48 Cb 0.11 0.74 0.00 0.00 0.41 0.00 0.00 41.25 42.51 2ncm s ASN 48 CO 0.65 -0.11 0.00 0.00 -1.51 0.00 0.00 177.10 176.12 2ncm n GLN 49 N 2.93 0.00 0.00 -0.60 10.64 -1.25 -5.09 117.38 124.00 2ncm n GLN 49 Ca 0.24 0.01 0.00 0.00 -1.83 0.00 0.00 57.00 55.41 2ncm n GLN 49 Cb 0.52 -0.13 0.00 0.00 -0.86 0.00 0.00 30.24 29.77 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 -1.44 0.00 -0.10 2.61 1.13 -1.26 -5.01 117.38 113.32 2ncm n GLN 50 Ca 0.00 0.00 -0.18 0.00 -1.94 0.00 0.00 57.00 54.88 2ncm n GLN 50 Cb 0.00 0.00 -0.13 0.00 0.11 0.00 0.00 30.24 30.22 2ncm n GLN 50 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2ncm n ARG 51 N -1.85 0.67 -2.98 -1.09 1.74 -1.26 -4.86 116.66 107.03 2ncm n ARG 51 Ca 0.00 0.17 -0.42 0.00 -0.77 0.00 0.00 57.85 56.82 2ncm n ARG 51 Cb 0.00 -1.56 -0.05 0.00 -1.02 0.00 0.00 32.46 29.82 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 -2.53 4.73 -0.20 0.55 1.01 -1.26 -1.76 121.20 121.74 2ncm s ILE 52 Ca -0.31 0.67 0.01 0.00 0.00 0.00 0.00 60.65 61.02 2ncm s ILE 52 Cb 0.08 -4.23 0.03 0.00 0.01 0.00 0.00 42.46 38.35 2ncm s ILE 52 CO 0.64 -0.52 -0.17 -0.55 0.00 0.00 0.00 174.94 174.34 2ncm s SER 53 N 1.94 3.48 0.40 3.58 0.15 -0.51 -3.88 113.70 118.87 2ncm s SER 53 Ca 0.30 -0.78 -0.06 0.00 0.70 0.00 0.00 55.95 56.11 2ncm s SER 53 Cb -0.13 -1.51 -0.05 0.00 -1.71 0.00 0.00 66.02 62.62 2ncm s SER 53 CO 0.19 -0.04 0.70 -0.69 1.20 0.00 0.00 173.24 174.60 2ncm s VAL 54 N 1.27 4.93 0.10 4.45 1.01 -0.96 -1.84 120.40 129.36 2ncm s VAL 54 Ca 0.02 0.18 -0.19 0.00 0.00 0.00 0.00 61.98 62.00 2ncm s VAL 54 Cb -0.14 -3.81 0.04 0.00 0.00 0.00 0.00 36.38 32.47 2ncm s VAL 54 CO -0.11 -0.62 0.45 0.54 0.00 0.00 0.00 175.10 175.37 2ncm s VAL 55 N -2.46 0.05 -0.23 2.92 0.11 -0.79 -4.80 120.40 115.21 2ncm s VAL 55 Ca 0.47 -0.41 -0.01 0.00 -2.93 0.00 0.00 61.98 59.09 2ncm s VAL 55 Cb -0.10 -1.07 0.07 0.00 -1.53 0.00 0.00 36.38 33.75 2ncm s VAL 55 CO 0.37 -0.22 0.03 0.26 -3.33 0.00 0.00 175.10 172.21 2ncm s TRP 56 N -3.28 1.54 0.00 1.54 0.51 -1.26 -1.48 118.94 116.50 2ncm s TRP 56 Ca -0.00 -1.30 0.00 0.00 -2.12 0.00 0.00 56.10 52.68 2ncm s TRP 56 Cb 0.00 -1.34 0.00 0.00 -0.81 0.00 0.00 33.47 31.33 2ncm s TRP 56 CO -0.08 -0.72 0.00 0.09 -0.51 0.00 0.00 176.95 175.73 2ncm n ASN 57 N 4.91 0.00 -3.26 2.95 3.02 -0.63 -5.00 115.26 117.23 2ncm n ASN 57 Ca -0.08 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.20 2ncm n ASN 57 Cb 0.45 -0.04 0.25 0.00 -0.61 0.00 0.00 39.78 39.84 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 -1.45 -3.43 -0.21 6.41 9.92 -1.20 -4.86 116.55 121.73 2ncm n ASP 58 Ca 0.00 -0.87 0.19 0.00 -0.53 0.00 0.00 54.79 53.57 2ncm n ASP 58 Cb 0.00 -0.89 0.53 0.00 -0.64 0.00 0.00 41.12 40.11 2ncm n ASP 58 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 2ncm h ASP 59 N -3.23 0.36 0.00 -2.24 1.82 -2.04 -3.27 116.42 107.82 2ncm h ASP 59 Ca -0.36 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.31 2ncm h ASP 59 Cb 1.17 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.15 2ncm h ASP 59 CO 0.22 0.16 -0.19 0.47 -1.61 0.00 0.00 179.24 178.29 2ncm n ASP 60 N -4.48 0.00 -4.78 2.28 8.00 -1.26 -5.03 116.55 111.28 2ncm n ASP 60 Ca 0.17 -1.38 -0.36 0.00 0.71 0.00 0.00 54.79 53.93 2ncm n ASP 60 Cb 0.66 -0.08 -0.08 0.00 -0.02 0.00 0.00 41.12 41.61 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 -0.38 5.85 0.18 -2.24 1.04 -1.24 -4.39 113.70 112.53 2ncm s SER 61 Ca 0.00 0.30 0.02 0.00 0.48 0.00 0.00 55.95 56.75 2ncm s SER 61 Cb 0.00 -1.81 -0.01 0.00 0.10 0.00 0.00 66.02 64.30 2ncm s SER 61 CO 0.00 0.38 0.07 -1.20 0.98 0.00 0.00 173.24 173.46 2ncm n SER 62 N 2.18 1.03 -3.63 7.02 7.64 -0.92 -1.61 113.62 125.33 2ncm n SER 62 Ca -0.19 -1.98 -0.16 0.00 1.01 0.00 0.00 58.87 57.55 2ncm n SER 62 Cb 0.54 0.47 -0.07 0.00 -1.01 0.00 0.00 64.21 64.14 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 -2.24 0.02 -0.49 0.44 2.01 -0.55 -1.72 115.64 113.10 2ncm s THR 63 Ca 0.10 -0.14 0.03 0.00 0.31 0.00 0.00 61.69 61.98 2ncm s THR 63 Cb 0.00 -0.83 0.13 0.00 0.01 0.00 0.00 72.50 71.81 2ncm s THR 63 CO 0.07 -0.08 0.23 -0.22 -0.69 0.00 0.00 174.62 173.93 2ncm s LEU 64 N -0.87 4.54 0.25 4.42 0.20 -0.53 -1.88 118.68 124.81 2ncm s LEU 64 Ca -0.09 -2.79 -0.20 0.00 0.69 0.00 0.00 54.13 51.74 2ncm s LEU 64 Cb -0.03 -1.67 -0.09 0.00 -0.43 0.00 0.00 46.19 43.98 2ncm s LEU 64 CO 0.06 -0.29 0.76 -0.89 -0.29 0.00 0.00 176.35 175.70 2ncm s THR 65 N 0.03 4.53 -0.41 3.68 2.01 -0.76 -1.76 115.64 122.95 2ncm s THR 65 Ca 0.15 1.32 0.05 0.00 0.31 0.00 0.00 61.69 63.52 2ncm s THR 65 Cb -0.24 -3.85 0.18 0.00 0.01 0.00 0.00 72.50 68.60 2ncm s THR 65 CO -0.02 0.15 0.38 -0.38 -0.69 0.00 0.00 174.62 174.06 2ncm n ILE 66 N 0.57 -1.11 -0.04 1.82 5.41 0.20 -1.42 119.36 124.78 2ncm n ILE 66 Ca -0.01 -3.33 -0.04 0.00 1.00 0.00 0.00 62.75 60.37 2ncm n ILE 66 Cb 0.51 -1.52 -0.03 0.00 -0.71 0.00 0.00 39.64 37.89 2ncm n ILE 66 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 2ncm h TYR 67 N 5.45 -0.53 0.23 1.39 0.05 -1.62 -2.06 116.97 119.89 2ncm h TYR 67 Ca 0.24 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 59.03 2ncm h TYR 67 Cb 0.92 0.25 0.00 0.00 1.01 0.00 0.00 36.73 38.91 2ncm h TYR 67 CO 0.26 -0.15 -0.11 -0.97 -1.05 0.00 0.00 178.16 176.14 2ncm h ASN 68 N -0.12 -0.27 -3.47 3.88 -1.24 -1.79 -1.88 115.58 110.70 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 0.18 0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.30 2ncm h ASN 68 CO -0.18 -0.16 -0.09 0.00 -1.29 0.00 0.00 177.43 175.71 2ncm n ALA 69 N -2.21 -2.91 -2.39 1.57 0.00 -1.25 -1.24 120.51 112.09 2ncm n ALA 69 Ca -0.04 0.04 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 2ncm n ALA 69 Cb 0.12 -0.59 -0.08 0.00 0.00 0.00 0.00 19.45 18.90 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 -0.44 0.26 0.57 0.00 2.20 -1.26 -2.90 114.94 113.36 2ncm s ASN 70 Ca 0.00 -0.78 0.31 0.00 -0.94 0.00 0.00 52.86 51.45 2ncm s ASN 70 Cb 0.00 0.28 1.45 0.00 -2.00 0.00 0.00 41.25 40.98 2ncm s ASN 70 CO 0.00 -0.67 1.83 0.16 -2.94 0.00 0.00 177.10 175.48 2ncm h ILE 71 N 2.94 0.40 -0.26 0.54 3.07 -1.96 0.19 117.51 122.43 2ncm h ILE 71 Ca -0.34 0.00 -0.16 0.00 1.55 0.00 0.00 64.86 65.91 2ncm h ILE 71 Cb 1.18 0.51 0.00 0.00 -0.27 0.00 0.00 36.82 38.24 2ncm h ILE 71 CO 0.60 0.00 -0.46 0.44 -1.05 0.00 0.00 178.15 177.67 2ncm h ASP 72 N 0.00 0.85 -0.18 2.16 3.32 -1.96 -3.09 116.42 117.52 2ncm h ASP 72 Ca 0.36 -0.53 -0.05 0.00 0.02 0.00 0.00 57.03 56.83 2ncm h ASP 72 Cb 1.67 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.96 2ncm h ASP 72 CO -0.00 1.22 -0.03 0.44 -1.72 0.00 0.00 179.24 179.15 2ncm h ASP 73 N 0.51 0.45 -1.09 6.45 5.19 -1.04 -3.42 116.42 123.45 2ncm h ASP 73 Ca 0.02 -0.09 -0.53 0.00 -0.62 0.00 0.00 57.03 55.81 2ncm h ASP 73 Cb 1.06 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 40.44 2ncm h ASP 73 CO 0.10 0.53 1.61 0.00 -3.12 0.00 0.00 179.24 178.37 2ncm n ALA 74 N -2.48 0.78 -3.92 3.45 0.00 -0.90 -4.82 120.51 112.62 2ncm n ALA 74 Ca 0.01 -0.53 0.01 0.00 0.00 0.00 0.00 53.44 52.93 2ncm n ALA 74 Cb 0.25 -2.80 0.01 0.00 0.00 0.00 0.00 19.45 16.91 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 10.08 -0.11 -0.72 0.00 0.00 0.13 -4.89 107.32 111.81 2ncm s GLY 75 Ca 1.11 0.04 -0.27 0.00 0.00 0.00 0.00 44.72 45.60 2ncm s GLY 75 CO 0.38 4.29 1.24 -0.42 0.00 0.00 0.00 173.10 178.59 2ncm s ILE 76 N -2.11 3.80 1.05 0.90 1.09 -1.26 -1.84 121.20 122.83 2ncm s ILE 76 Ca 0.26 0.38 -0.16 0.00 -1.10 0.00 0.00 60.65 60.04 2ncm s ILE 76 Cb -0.00 -4.88 0.21 0.00 -1.06 0.00 0.00 42.46 36.73 2ncm s ILE 76 CO 0.00 -1.77 1.16 -0.31 -0.10 0.00 0.00 174.94 173.92 2ncm s TYR 77 N 5.51 1.50 0.07 3.97 1.51 -0.73 -3.04 117.35 126.14 2ncm s TYR 77 Ca 0.34 0.62 0.03 0.00 -1.01 0.00 0.00 57.07 57.05 2ncm s TYR 77 Cb -0.09 -3.54 -0.03 0.00 -0.11 0.00 0.00 41.96 38.19 2ncm s TYR 77 CO 0.15 -3.08 -0.08 0.21 -1.11 0.00 0.00 175.55 171.64 2ncm s LYS 78 N -5.41 0.71 -0.28 -0.62 2.20 0.13 -2.08 119.74 114.39 2ncm s LYS 78 Ca 0.69 -1.03 -0.04 0.00 -0.36 0.00 0.00 55.97 55.22 2ncm s LYS 78 Cb -0.11 -0.35 0.10 0.00 -1.51 0.00 0.00 37.83 35.96 2ncm s LYS 78 CO 0.55 0.04 0.13 0.00 -0.36 0.00 0.00 175.35 175.71 2ncm s VAL 80 N 2.12 4.30 0.02 0.00 1.01 -0.67 -0.67 120.40 126.50 2ncm s VAL 80 Ca 0.08 -0.24 0.09 0.00 0.00 0.00 0.00 61.98 61.91 2ncm s VAL 80 Cb -0.16 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 2ncm s VAL 80 CO -0.33 0.57 -0.26 -0.69 0.00 0.00 0.00 175.10 174.39 2ncm s VAL 81 N -0.56 2.06 -0.09 2.92 1.01 -0.77 0.36 120.40 125.33 2ncm s VAL 81 Ca 0.10 -1.25 0.01 0.00 0.00 0.00 0.00 61.98 60.84 2ncm s VAL 81 Cb -0.12 -1.74 0.02 0.00 0.00 0.00 0.00 36.38 34.54 2ncm s VAL 81 CO 0.02 0.45 -0.12 -0.89 0.00 0.00 0.00 175.10 174.57 2ncm s THR 82 N -0.71 1.18 0.67 3.92 2.01 -0.68 -1.80 115.64 120.24 2ncm s THR 82 Ca 0.11 -0.46 -0.11 0.00 0.31 0.00 0.00 61.69 61.53 2ncm s THR 82 Cb -0.10 -1.11 0.16 0.00 0.01 0.00 0.00 72.50 71.46 2ncm s THR 82 CO 0.01 0.38 0.71 0.00 -0.69 0.00 0.00 174.62 175.02 2ncm n ALA 83 N 4.20 -1.59 0.10 7.40 0.00 -0.79 -1.56 120.51 128.27 2ncm n ALA 83 Ca -0.19 -1.00 -0.22 0.00 0.00 0.00 0.00 53.44 52.03 2ncm n ALA 83 Cb 0.51 -0.06 -0.13 0.00 0.00 0.00 0.00 19.45 19.77 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 0.59 -0.06 0.00 4.81 -1.72 -3.31 114.58 114.89 2ncm h GLU 84 Ca -0.25 -0.82 -0.17 0.00 -0.13 0.00 0.00 59.36 57.99 2ncm h GLU 84 Cb 0.73 0.28 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 2ncm h GLU 84 CO 0.17 1.38 -0.71 0.38 -0.73 0.00 0.00 179.01 179.49 2ncm h ASP 85 N 0.25 0.37 0.00 1.04 2.03 -1.94 -3.47 116.42 114.69 2ncm h ASP 85 Ca -0.19 -0.24 0.00 0.00 -0.73 0.00 0.00 57.03 55.87 2ncm h ASP 85 Cb 1.95 -0.11 0.00 0.00 -0.83 0.00 0.00 39.33 40.34 2ncm h ASP 85 CO 0.24 0.96 0.00 0.61 -1.03 0.00 0.00 179.24 180.02 2ncm n GLY 86 N 0.51 0.51 3.60 7.15 0.00 -1.25 -5.10 105.19 110.61 2ncm n GLY 86 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 2ncm n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ncm s THR 87 N -0.40 3.16 -0.15 2.61 2.01 -1.26 -4.68 115.64 116.92 2ncm s THR 87 Ca 0.00 0.16 -0.06 0.00 0.31 0.00 0.00 61.69 62.10 2ncm s THR 87 Cb 0.00 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 2ncm s THR 87 CO 0.00 -0.13 0.08 -1.10 -0.69 0.00 0.00 174.62 172.78 2ncm s GLN 88 N 6.08 3.68 -0.16 4.92 -0.21 -1.26 -1.88 119.66 130.83 2ncm s GLN 88 Ca 0.94 -0.29 -0.01 0.00 0.02 0.00 0.00 55.36 56.02 2ncm s GLN 88 Cb -0.30 -3.15 0.04 0.00 1.00 0.00 0.00 33.01 30.61 2ncm s GLN 88 CO 0.35 0.48 -0.03 0.45 -2.12 0.00 0.00 175.29 174.43 2ncm s SER 89 N -0.22 2.64 0.39 5.90 0.15 -0.74 -5.00 113.70 116.81 2ncm s SER 89 Ca 0.08 -0.60 0.03 0.00 0.70 0.00 0.00 55.95 56.16 2ncm s SER 89 Cb -0.12 -0.77 0.03 0.00 -1.71 0.00 0.00 66.02 63.45 2ncm s SER 89 CO 0.01 -0.21 0.23 -1.84 1.20 0.00 0.00 173.24 172.63 2ncm n GLU 90 N 4.95 0.95 -3.99 5.44 0.28 -1.26 -1.84 120.64 125.18 2ncm n GLU 90 Ca -0.10 -2.52 -0.10 0.00 -0.16 0.00 0.00 57.16 54.28 2ncm n GLU 90 Cb 0.48 0.37 -0.04 0.00 1.43 0.00 0.00 31.44 33.68 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 -2.58 -0.15 0.02 -1.84 0.00 0.15 -4.78 121.76 112.57 2ncm s ALA 91 Ca 0.17 -0.96 -0.08 0.00 0.00 0.00 0.00 51.96 51.10 2ncm s ALA 91 Cb -0.01 1.03 0.00 0.00 0.00 0.00 0.00 23.12 24.13 2ncm s ALA 91 CO 0.11 -0.87 0.15 0.95 0.00 0.00 0.00 175.76 176.10 2ncm s THR 92 N -3.61 0.10 -0.10 0.00 -4.23 -1.26 -1.90 115.64 104.64 2ncm s THR 92 Ca 0.23 -0.82 -0.02 0.00 -1.18 0.00 0.00 61.69 59.89 2ncm s THR 92 Cb -0.01 -0.67 0.04 0.00 1.34 0.00 0.00 72.50 73.19 2ncm s THR 92 CO 0.12 -0.45 0.01 0.54 -0.54 0.00 0.00 174.62 174.29 2ncm s VAL 93 N -1.96 0.38 -0.86 2.29 0.11 -0.88 -4.70 120.40 114.78 2ncm s VAL 93 Ca -0.10 -0.02 -0.25 0.00 -2.93 0.00 0.00 61.98 58.69 2ncm s VAL 93 Cb -0.04 -0.63 -0.02 0.00 -1.53 0.00 0.00 36.38 34.15 2ncm s VAL 93 CO -0.01 0.15 1.83 0.21 -3.33 0.00 0.00 175.10 173.95 2ncm s ASN 94 N 1.96 5.41 -0.38 3.54 3.04 -0.62 -1.77 114.94 126.12 2ncm s ASN 94 Ca 0.04 -0.60 -0.18 0.00 0.04 0.00 0.00 52.86 52.16 2ncm s ASN 94 Cb -0.13 -2.56 0.01 0.00 -1.54 0.00 0.00 41.25 37.03 2ncm s ASN 94 CO -0.06 -2.46 0.48 -0.69 -3.04 0.00 0.00 177.10 171.33 2ncm s VAL 95 N 8.97 5.04 0.18 -5.21 1.01 -0.77 -1.55 120.40 128.07 2ncm s VAL 95 Ca 0.65 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.67 2ncm s VAL 95 Cb -0.07 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 2ncm s VAL 95 CO 0.02 -0.31 0.33 -0.75 0.00 0.00 0.00 175.10 174.39 2ncm s LYS 96 N 2.30 3.46 -0.06 2.72 2.47 -0.68 0.19 119.74 130.14 2ncm s LYS 96 Ca 0.16 -0.54 -0.04 0.00 -1.56 0.00 0.00 55.97 53.99 2ncm s LYS 96 Cb -0.16 -2.91 0.03 0.00 -1.46 0.00 0.00 37.83 33.32 2ncm s LYS 96 CO 0.14 0.47 0.15 0.42 0.16 0.00 0.00 175.35 176.69 2ncm s ILE 97 N -1.82 -0.02 -0.06 5.43 1.01 -1.25 -1.97 121.20 122.51 2ncm s ILE 97 Ca 0.36 0.08 0.01 0.00 0.00 0.00 0.00 60.65 61.10 2ncm s ILE 97 Cb -0.11 -0.24 0.02 0.00 0.01 0.00 0.00 42.46 42.15 2ncm s ILE 97 CO 0.29 0.03 -0.07 0.72 0.00 0.00 0.00 174.94 175.91 2ncm s PHE 98 N 0.58 1.11 -2.08 3.97 -0.71 -0.76 -4.72 117.98 115.37 2ncm s PHE 98 Ca -0.04 -0.40 0.31 0.00 -1.04 0.00 0.00 56.93 55.76 2ncm s PHE 98 Cb -0.06 -0.91 1.77 0.00 -1.21 0.00 0.00 43.02 42.62 2ncm s PHE 98 CO -0.03 -0.28 2.15 0.00 -1.34 0.00 0.00 175.22 175.72