#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nyc s SER 0 N 0.00 5.63 0.34 1.61 1.04 -1.26 -5.02 113.70 116.04 1nyc s SER 0 Ca 0.00 2.01 -0.23 0.00 0.48 0.00 0.00 55.95 58.21 1nyc s SER 0 Cb 0.00 -2.56 -0.10 0.00 0.10 0.00 0.00 66.02 63.46 1nyc s SER 0 CO 0.00 -1.27 0.89 -0.04 0.98 0.00 0.00 173.24 173.80 1nyc s MET 1 N -3.71 4.38 0.40 4.02 1.00 -1.26 -5.07 119.30 119.05 1nyc s MET 1 Ca 0.68 1.14 -0.00 0.00 0.00 0.00 0.00 55.69 57.51 1nyc s MET 1 Cb -0.20 -2.60 -0.02 0.00 0.00 0.00 0.00 34.83 32.00 1nyc s MET 1 CO 0.33 0.20 0.62 0.71 0.00 0.00 0.00 175.02 176.87 1nyc s TYR 2 N -1.80 3.42 0.04 -0.03 4.12 -1.26 -5.01 117.35 116.84 1nyc s TYR 2 Ca 0.53 0.38 -0.24 0.00 0.02 0.00 0.00 57.07 57.76 1nyc s TYR 2 Cb -0.15 -2.08 -0.06 0.00 -1.52 0.00 0.00 41.96 38.16 1nyc s TYR 2 CO 0.20 -0.08 0.72 -1.14 0.02 0.00 0.00 175.55 175.27 1nyc s GLN 3 N -4.45 4.45 -0.20 -0.62 0.74 -0.72 -4.92 119.66 113.94 1nyc s GLN 3 Ca 0.44 0.99 0.01 0.00 0.05 0.00 0.00 55.36 56.84 1nyc s GLN 3 Cb -0.10 -3.35 0.03 0.00 1.10 0.00 0.00 33.01 30.69 1nyc s GLN 3 CO 0.38 0.32 -0.17 -1.17 -0.55 0.00 0.00 175.29 174.10 1nyc s LEU 4 N -0.15 2.45 -0.16 3.68 2.96 -1.26 -0.52 118.68 125.67 1nyc s LEU 4 Ca 0.36 -0.81 -0.08 0.00 -0.22 0.00 0.00 54.13 53.39 1nyc s LEU 4 Cb -0.20 -1.51 -0.04 0.00 0.50 0.00 0.00 46.19 44.94 1nyc s LEU 4 CO 0.22 -0.04 0.10 -1.58 -1.32 0.00 0.00 176.35 173.73 1nyc s GLN 5 N 1.26 3.82 -0.10 1.98 0.74 -0.33 -5.00 119.66 122.03 1nyc s GLN 5 Ca 0.02 -0.25 -0.12 0.00 0.05 0.00 0.00 55.36 55.06 1nyc s GLN 5 Cb -0.15 -3.24 -0.05 0.00 1.10 0.00 0.00 33.01 30.67 1nyc s GLN 5 CO -0.11 0.46 0.28 -0.06 -0.55 0.00 0.00 175.29 175.31 1nyc s PHE 6 N -0.13 3.58 -0.24 1.67 0.40 -1.26 -1.05 117.98 120.95 1nyc s PHE 6 Ca 0.09 0.69 0.01 0.00 -0.60 0.00 0.00 56.93 57.12 1nyc s PHE 6 Cb -0.12 -2.21 0.06 0.00 0.51 0.00 0.00 43.02 41.27 1nyc s PHE 6 CO 0.01 0.51 -0.04 0.42 0.70 0.00 0.00 175.22 176.81 1nyc s ILE 7 N -0.44 1.48 -0.45 0.64 1.01 -0.15 -4.84 121.20 118.46 1nyc s ILE 7 Ca 0.18 -1.22 -0.08 0.00 0.00 0.00 0.00 60.65 59.53 1nyc s ILE 7 Cb -0.14 -1.78 0.11 0.00 0.01 0.00 0.00 42.46 40.66 1nyc s ILE 7 CO 0.07 -0.14 0.30 0.20 0.00 0.00 0.00 174.94 175.37 1nyc s ASN 8 N 1.41 5.60 -0.07 3.58 0.01 -0.49 -1.37 114.94 123.61 1nyc s ASN 8 Ca -0.05 -1.85 -0.30 0.00 -0.71 0.00 0.00 52.86 49.96 1nyc s ASN 8 Cb -0.19 -1.97 -0.03 0.00 0.41 0.00 0.00 41.25 39.47 1nyc s ASN 8 CO -0.07 -0.63 1.23 -0.76 -1.51 0.00 0.00 177.10 175.37 1nyc s LEU 9 N 1.33 4.26 -0.32 0.60 1.43 -0.09 -1.13 118.68 124.76 1nyc s LEU 9 Ca 0.05 1.82 -0.08 0.00 -1.03 0.00 0.00 54.13 54.90 1nyc s LEU 9 Cb -0.25 -3.55 0.02 0.00 0.03 0.00 0.00 46.19 42.43 1nyc s LEU 9 CO -0.01 -0.63 0.11 -0.69 0.23 0.00 0.00 176.35 175.36 1nyc s VAL 10 N 2.50 4.09 -0.11 -1.59 1.01 -0.44 -0.76 120.40 125.09 1nyc s VAL 10 Ca 0.56 -0.77 -0.26 0.00 0.00 0.00 0.00 61.98 61.51 1nyc s VAL 10 Cb -0.25 -3.17 0.06 0.00 0.00 0.00 0.00 36.38 33.03 1nyc s VAL 10 CO 0.21 -0.01 0.63 -0.72 0.00 0.00 0.00 175.10 175.20 1nyc s TYR 11 N 1.50 -0.62 -0.58 5.22 -0.85 -1.26 -4.55 117.35 116.21 1nyc s TYR 11 Ca 0.02 1.22 -0.24 0.00 -0.52 0.00 0.00 57.07 57.54 1nyc s TYR 11 Cb -0.18 0.32 0.05 0.00 0.38 0.00 0.00 41.96 42.53 1nyc s TYR 11 CO 0.04 -0.50 0.97 0.34 -1.52 0.00 0.00 175.55 174.87 1nyc s ASP 12 N -0.73 6.31 0.39 -0.18 -1.08 -1.26 -4.90 116.67 115.22 1nyc s ASP 12 Ca -0.08 -0.45 0.28 0.00 -0.52 0.00 0.00 52.55 51.79 1nyc s ASP 12 Cb -0.02 -2.44 1.11 0.00 -1.46 0.00 0.00 42.92 40.11 1nyc s ASP 12 CO 0.06 -1.30 1.83 0.00 0.52 0.00 0.00 175.17 176.29 1nyc h THR 13 N 6.02 0.00 0.00 1.71 1.03 -1.99 -1.95 112.91 117.73 1nyc h THR 13 Ca -0.27 -0.41 0.00 0.00 -0.01 0.00 0.00 66.41 65.73 1nyc h THR 13 Cb 1.07 1.29 0.00 0.00 -1.07 0.00 0.00 68.15 69.44 1nyc h THR 13 CO 1.12 0.00 0.00 0.71 -0.01 0.00 0.00 175.52 177.34 1nyc h THR 14 N 0.00 0.00 -0.02 0.00 1.35 -2.01 -2.55 112.91 109.68 1nyc h THR 14 Ca 0.00 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 1nyc h THR 14 Cb 0.48 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 1nyc h THR 14 CO 0.00 0.00 -0.09 0.29 -0.25 0.00 0.00 175.52 175.47 1nyc n LYS 15 N -2.72 1.79 -3.95 4.72 4.76 -0.73 -4.96 118.16 117.06 1nyc n LYS 15 Ca 0.00 -1.31 -0.26 0.00 -2.87 0.00 0.00 58.31 53.88 1nyc n LYS 15 Cb 0.22 -1.47 -0.03 0.00 -1.84 0.00 0.00 35.03 31.91 1nyc n LYS 15 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1nyc s LEU 16 N -2.11 4.31 0.67 -0.35 1.43 -0.96 -5.10 118.68 116.56 1nyc s LEU 16 Ca 0.30 0.15 -0.12 0.00 -1.03 0.00 0.00 54.13 53.44 1nyc s LEU 16 Cb 0.20 -2.88 -0.01 0.00 0.03 0.00 0.00 46.19 43.53 1nyc s LEU 16 CO 0.37 0.05 1.05 0.42 0.23 0.00 0.00 176.35 178.47 1nyc s THR 17 N -1.75 4.09 0.27 5.49 -4.23 -1.26 -4.90 115.64 113.35 1nyc s THR 17 Ca 0.34 0.73 -0.00 0.00 -1.18 0.00 0.00 61.69 61.58 1nyc s THR 17 Cb -0.11 -3.46 0.28 0.00 1.34 0.00 0.00 72.50 70.55 1nyc s THR 17 CO 0.28 -0.84 1.86 -0.74 -0.54 0.00 0.00 174.62 174.64 1nyc h HIS 18 N -0.47 1.17 -0.70 3.99 2.76 -1.99 -1.56 115.15 118.35 1nyc h HIS 18 Ca -0.44 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 57.72 1nyc h HIS 18 Cb 1.21 -0.38 -0.03 0.00 1.55 0.00 0.00 27.41 29.76 1nyc h HIS 18 CO 0.62 0.53 0.28 1.25 -1.30 0.00 0.00 177.93 179.32 1nyc h LEU 19 N 1.08 0.96 -0.63 0.26 5.85 -1.99 -0.64 115.31 120.20 1nyc h LEU 19 Ca 0.47 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.98 1nyc h LEU 19 Cb 0.34 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1nyc h LEU 19 CO -0.22 0.87 0.24 -0.33 -0.34 0.00 0.00 178.44 178.66 1nyc h GLU 20 N 1.00 0.95 -0.30 1.25 5.08 -1.79 -2.01 114.58 118.76 1nyc h GLU 20 Ca 0.23 -0.18 0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1nyc h GLU 20 Cb 0.20 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1nyc h GLU 20 CO -0.02 0.81 0.13 1.96 -1.00 0.00 0.00 179.01 180.88 1nyc h GLN 21 N 0.89 0.27 -0.78 2.33 4.20 -1.04 -1.43 115.11 119.55 1nyc h GLN 21 Ca 0.21 -0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.97 1nyc h GLN 21 Cb 0.22 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 27.88 1nyc h GLN 21 CO -0.02 0.18 0.46 1.15 -0.67 0.00 0.00 178.83 179.93 1nyc h THR 22 N 0.27 0.99 -0.32 -0.54 2.02 -0.88 0.42 112.91 114.88 1nyc h THR 22 Ca 0.13 -0.28 -0.04 0.00 0.77 0.00 0.00 66.41 66.99 1nyc h THR 22 Cb 0.07 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.56 1nyc h THR 22 CO -0.11 0.15 0.06 0.78 0.37 0.00 0.00 175.52 176.76 1nyc h ASN 23 N 0.83 0.50 -0.94 4.18 2.35 -0.89 -2.87 115.58 118.74 1nyc h ASN 23 Ca 0.35 -0.26 0.03 0.00 -0.55 0.00 0.00 56.30 55.87 1nyc h ASN 23 Cb 0.21 -0.13 -0.05 0.00 0.05 0.00 0.00 38.32 38.39 1nyc h ASN 23 CO -0.19 0.63 0.61 0.40 -1.65 0.00 0.00 177.43 177.23 1nyc h ILE 24 N 0.35 1.17 0.00 2.81 2.04 -0.96 -2.78 117.51 120.14 1nyc h ILE 24 Ca 0.10 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 1nyc h ILE 24 Cb 0.34 -0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.29 1nyc h ILE 24 CO 0.01 0.22 -0.04 0.78 0.00 0.00 0.00 178.15 179.11 1nyc h ASN 25 N 1.20 0.00 -0.02 1.72 2.35 -0.70 -1.47 115.58 118.65 1nyc h ASN 25 Ca 0.37 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 56.13 1nyc h ASN 25 Cb -0.02 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.35 1nyc h ASN 25 CO -0.11 0.04 0.08 -0.07 -1.65 0.00 0.00 177.43 175.72 1nyc h LEU 26 N 0.00 0.00 0.00 1.61 3.38 -1.32 -2.89 115.31 116.08 1nyc h LEU 26 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1nyc h LEU 26 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1nyc h LEU 26 CO 0.01 0.00 -0.88 0.49 0.09 0.00 0.00 178.44 178.15 1nyc n PHE 27 N -3.25 0.00 -2.37 1.13 3.01 -0.55 -4.96 117.46 110.47 1nyc n PHE 27 Ca -0.02 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.02 1nyc n PHE 27 Cb 0.16 -0.06 -0.03 0.00 -0.01 0.00 0.00 39.48 39.54 1nyc n PHE 27 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1nyc s ILE 28 N -2.55 3.95 -5.00 4.37 1.01 -1.10 -4.66 121.20 117.22 1nyc s ILE 28 Ca 0.04 1.37 0.00 0.00 0.00 0.00 0.00 60.65 62.06 1nyc s ILE 28 Cb 0.11 -3.88 0.00 0.00 0.01 0.00 0.00 42.46 38.70 1nyc s ILE 28 CO 0.64 0.08 0.00 0.61 0.00 0.00 0.00 174.94 176.26 1nyc n GLY 29 N 3.33 -0.34 3.25 6.18 0.00 -0.17 -4.98 105.19 112.46 1nyc n GLY 29 Ca 0.10 -1.43 -0.33 0.00 0.00 0.00 0.00 46.02 44.36 1nyc n GLY 29 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nyc s ASN 30 N -4.00 3.59 0.04 1.61 0.01 -1.26 -1.01 114.94 113.92 1nyc s ASN 30 Ca 0.00 -0.48 0.02 0.00 -0.71 0.00 0.00 52.86 51.69 1nyc s ASN 30 Cb 0.00 -1.55 -0.02 0.00 0.41 0.00 0.00 41.25 40.09 1nyc s ASN 30 CO 0.00 0.09 -0.08 0.26 -1.51 0.00 0.00 177.10 175.85 1nyc s TRP 31 N 0.80 0.72 0.04 2.20 0.52 -0.23 -0.67 118.94 122.31 1nyc s TRP 31 Ca -0.06 -0.44 -0.07 0.00 0.02 0.00 0.00 56.10 55.55 1nyc s TRP 31 Cb -0.15 -0.43 -0.00 0.00 -1.15 0.00 0.00 33.47 31.73 1nyc s TRP 31 CO -0.00 -0.06 0.14 -1.54 0.02 0.00 0.00 176.95 175.51 1nyc s SER 32 N -1.40 0.11 -0.15 2.95 1.04 0.64 -1.18 113.70 115.71 1nyc s SER 32 Ca -0.07 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 55.91 1nyc s SER 32 Cb -0.09 0.25 0.03 0.00 0.10 0.00 0.00 66.02 66.31 1nyc s SER 32 CO 0.01 -0.52 -0.09 0.21 0.98 0.00 0.00 173.24 173.82 1nyc s ASN 33 N -2.07 2.75 0.15 7.02 3.84 0.16 -0.87 114.94 125.91 1nyc s ASN 33 Ca -0.05 -0.57 -0.12 0.00 0.21 0.00 0.00 52.86 52.32 1nyc s ASN 33 Cb -0.01 -1.04 0.01 0.00 -0.55 0.00 0.00 41.25 39.66 1nyc s ASN 33 CO -0.04 -0.12 1.59 -0.74 -2.79 0.00 0.00 177.10 174.99 1nyc h HIS 34 N 8.08 0.97 -0.47 0.43 -0.00 -1.91 -1.63 115.15 120.62 1nyc h HIS 34 Ca -0.30 -0.18 -0.00 0.00 -0.00 0.00 0.00 60.37 59.89 1nyc h HIS 34 Cb 1.12 -0.25 -0.02 0.00 -0.00 0.00 0.00 27.41 28.26 1nyc h HIS 34 CO 0.47 0.92 0.29 0.37 -0.00 0.00 0.00 177.93 179.99 1nyc h GLN 35 N 0.73 0.63 0.00 5.26 4.15 -1.96 -2.23 115.11 121.70 1nyc h GLN 35 Ca 0.13 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.50 1nyc h GLN 35 Cb 0.56 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.12 1nyc h GLN 35 CO 0.03 0.45 -0.06 1.28 -1.93 0.00 0.00 178.83 178.60 1nyc n LEU 36 N -4.73 0.62 -3.76 -2.39 4.77 -1.21 -4.94 117.00 105.37 1nyc n LEU 36 Ca 0.02 0.52 -0.23 0.00 -0.03 0.00 0.00 56.01 56.29 1nyc n LEU 36 Cb 0.05 -0.34 0.02 0.00 -2.33 0.00 0.00 43.42 40.81 1nyc n LEU 36 CO 0.35 -0.12 -0.11 0.00 -1.33 0.00 0.00 177.39 176.18 1nyc n GLN 37 N -2.07 -4.27 -4.17 3.23 6.02 -0.64 -4.90 117.38 110.58 1nyc n GLN 37 Ca 0.06 0.56 -0.17 0.00 -0.01 0.00 0.00 57.00 57.44 1nyc n GLN 37 Cb 0.41 -4.97 -0.15 0.00 1.02 0.00 0.00 30.24 26.55 1nyc n GLN 37 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1nyc s LYS 38 N -6.10 0.52 0.12 -1.09 2.20 -1.07 -1.76 119.74 112.56 1nyc s LYS 38 Ca 0.03 -0.17 0.10 0.00 -0.36 0.00 0.00 55.97 55.57 1nyc s LYS 38 Cb -0.01 -0.52 -0.04 0.00 -1.51 0.00 0.00 37.83 35.75 1nyc s LYS 38 CO 0.83 0.07 -0.24 0.45 -0.36 0.00 0.00 175.35 176.10 1nyc s SER 39 N 0.12 2.97 -0.02 1.43 0.15 0.32 -0.66 113.70 118.01 1nyc s SER 39 Ca -0.01 -0.73 0.06 0.00 0.70 0.00 0.00 55.95 55.97 1nyc s SER 39 Cb -0.05 -0.18 -0.01 0.00 -1.71 0.00 0.00 66.02 64.06 1nyc s SER 39 CO -0.00 0.12 -0.19 0.27 1.20 0.00 0.00 173.24 174.64 1nyc s ILE 40 N -1.13 1.53 -0.31 6.45 -4.36 -0.33 -1.18 121.20 121.88 1nyc s ILE 40 Ca 0.11 -0.83 0.01 0.00 -0.26 0.00 0.00 60.65 59.68 1nyc s ILE 40 Cb -0.10 -1.28 0.07 0.00 1.25 0.00 0.00 42.46 42.41 1nyc s ILE 40 CO 0.05 0.43 -0.01 0.00 0.24 0.00 0.00 174.94 175.66 1nyc s ILE 42 N 1.11 5.00 0.06 0.00 1.01 -0.18 -0.97 121.20 127.23 1nyc s ILE 42 Ca -0.02 0.05 -0.01 0.00 0.00 0.00 0.00 60.65 60.67 1nyc s ILE 42 Cb -0.20 -3.32 -0.04 0.00 0.01 0.00 0.00 42.46 38.91 1nyc s ILE 42 CO -0.04 0.37 -0.02 -0.13 0.00 0.00 0.00 174.94 175.12 1nyc s ARG 43 N 1.04 0.65 -0.51 2.79 0.52 -0.47 -1.00 118.95 121.97 1nyc s ARG 43 Ca 0.06 -1.25 -0.27 0.00 -0.52 0.00 0.00 55.73 53.75 1nyc s ARG 43 Cb -0.14 0.21 0.03 0.00 0.52 0.00 0.00 34.95 35.58 1nyc s ARG 43 CO 0.04 -0.13 1.06 -1.58 0.02 0.00 0.00 175.30 174.71 1nyc s HIS 44 N -3.94 2.79 0.00 -0.53 5.65 -1.26 -0.92 115.29 117.08 1nyc s HIS 44 Ca 0.09 0.42 0.00 0.00 0.25 0.00 0.00 55.06 55.82 1nyc s HIS 44 Cb 0.08 -4.27 0.00 0.00 -1.18 0.00 0.00 32.58 27.21 1nyc s HIS 44 CO -0.08 -1.32 0.00 0.41 -0.65 0.00 0.00 174.74 173.10 1nyc n GLY 45 N 4.98 1.56 0.00 1.59 0.00 0.06 -4.89 105.19 108.49 1nyc n GLY 45 Ca 0.08 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.15 1nyc n GLY 45 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1nyc n ASP 46 N 0.00 0.00 0.29 1.61 5.68 -1.26 -4.60 116.55 118.27 1nyc n ASP 46 Ca 0.00 -0.50 0.19 0.00 -0.50 0.00 0.00 54.79 53.98 1nyc n ASP 46 Cb 0.00 0.00 0.93 0.00 -1.14 0.00 0.00 41.12 40.91 1nyc n ASP 46 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1nyc h ASP 47 N 0.00 0.00 1.03 -1.12 3.32 -1.99 -1.95 116.42 115.71 1nyc h ASP 47 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1nyc h ASP 47 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1nyc h ASP 47 CO 0.00 0.00 -0.28 0.35 -1.72 0.00 0.00 179.24 177.59 1nyc n THR 48 N -2.94 0.30 -2.31 0.35 -2.24 -1.26 -4.94 114.28 101.24 1nyc n THR 48 Ca -0.01 -0.18 -0.33 0.00 -2.27 0.00 0.00 64.05 61.26 1nyc n THR 48 Cb 0.16 -0.29 -0.02 0.00 -2.10 0.00 0.00 70.33 68.08 1nyc n THR 48 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1nyc s SER 49 N -3.88 6.14 0.77 3.42 0.01 -0.73 -5.07 113.70 114.36 1nyc s SER 49 Ca 0.10 1.84 -0.05 0.00 1.31 0.00 0.00 55.95 59.15 1nyc s SER 49 Cb 0.15 -2.54 0.14 0.00 0.21 0.00 0.00 66.02 63.98 1nyc s SER 49 CO 0.64 -0.92 1.07 -1.00 0.41 0.00 0.00 173.24 173.44 1nyc s HIS 50 N -2.26 1.68 -1.40 2.43 3.76 -1.26 -4.62 115.29 113.62 1nyc s HIS 50 Ca 0.65 -0.10 -0.05 0.00 -0.15 0.00 0.00 55.06 55.41 1nyc s HIS 50 Cb -0.15 -3.26 0.03 0.00 1.11 0.00 0.00 32.58 30.30 1nyc s HIS 50 CO 0.28 -1.90 0.75 0.09 -0.85 0.00 0.00 174.74 173.11 1nyc n ASN 51 N -3.05 -2.20 -4.76 1.40 3.02 -1.26 -4.61 115.26 103.80 1nyc n ASN 51 Ca 0.15 -0.84 -0.40 0.00 -0.03 0.00 0.00 54.58 53.46 1nyc n ASN 51 Cb 0.60 -3.84 -0.06 0.00 -0.61 0.00 0.00 39.78 35.87 1nyc n ASN 51 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1nyc s GLN 52 N -6.27 4.60 0.01 3.52 -0.21 -1.26 -1.39 119.66 118.65 1nyc s GLN 52 Ca 0.22 1.20 0.04 0.00 0.02 0.00 0.00 55.36 56.84 1nyc s GLN 52 Cb -0.11 -3.29 -0.01 0.00 1.00 0.00 0.00 33.01 30.59 1nyc s GLN 52 CO 0.83 0.49 -0.14 0.71 -2.12 0.00 0.00 175.29 175.06 1nyc s TYR 53 N -0.88 1.21 -0.16 0.91 1.51 -0.29 -2.17 117.35 117.48 1nyc s TYR 53 Ca 0.38 -0.28 -0.06 0.00 -1.01 0.00 0.00 57.07 56.10 1nyc s TYR 53 Cb -0.23 -0.75 -0.04 0.00 -0.11 0.00 0.00 41.96 40.83 1nyc s TYR 53 CO 0.27 0.00 0.02 -1.58 -1.11 0.00 0.00 175.55 173.15 1nyc s HIS 54 N -0.54 3.17 -0.06 2.71 2.46 0.20 -1.33 115.29 121.89 1nyc s HIS 54 Ca 0.04 -0.05 -0.29 0.00 0.47 0.00 0.00 55.06 55.23 1nyc s HIS 54 Cb -0.06 -2.01 -0.02 0.00 -0.13 0.00 0.00 32.58 30.36 1nyc s HIS 54 CO 0.00 0.12 0.98 0.42 -2.47 0.00 0.00 174.74 173.79 1nyc s ILE 55 N 0.23 4.83 -0.11 0.89 1.01 -1.26 -1.53 121.20 125.27 1nyc s ILE 55 Ca 0.01 2.02 -0.01 0.00 0.00 0.00 0.00 60.65 62.67 1nyc s ILE 55 Cb -0.13 -4.30 -0.25 0.00 0.01 0.00 0.00 42.46 37.79 1nyc s ILE 55 CO 0.01 0.08 0.42 0.18 0.00 0.00 0.00 174.94 175.64 1nyc n LEU 56 N 4.49 2.15 -3.70 2.97 4.77 0.11 -4.96 117.00 122.83 1nyc n LEU 56 Ca 0.07 0.25 -0.14 0.00 -0.03 0.00 0.00 56.01 56.16 1nyc n LEU 56 Cb 0.50 -0.75 -0.09 0.00 -2.33 0.00 0.00 43.42 40.75 1nyc n LEU 56 CO 0.52 0.73 0.19 0.12 -1.33 0.00 0.00 177.39 177.62 1nyc s PHE 57 N -2.57 -0.54 -0.29 -1.77 5.36 -1.08 -4.99 117.98 112.11 1nyc s PHE 57 Ca -0.18 1.29 0.01 0.00 -0.96 0.00 0.00 56.93 57.08 1nyc s PHE 57 Cb 0.07 0.20 0.06 0.00 -0.34 0.00 0.00 43.02 43.00 1nyc s PHE 57 CO 0.78 -0.29 -0.04 0.42 -1.46 0.00 0.00 175.22 174.63 1nyc s ILE 58 N 0.10 2.61 -0.67 3.12 1.01 -1.26 -1.62 121.20 124.48 1nyc s ILE 58 Ca -0.01 -1.56 -0.18 0.00 0.00 0.00 0.00 60.65 58.89 1nyc s ILE 58 Cb -0.03 -2.54 0.12 0.00 0.01 0.00 0.00 42.46 40.01 1nyc s ILE 58 CO 0.01 -0.11 0.78 -0.62 0.00 0.00 0.00 174.94 175.00 1nyc s ASP 59 N 1.19 6.32 0.07 3.58 -1.08 0.12 -4.89 116.67 121.98 1nyc s ASP 59 Ca -0.06 -1.67 0.27 0.00 -0.52 0.00 0.00 52.55 50.57 1nyc s ASP 59 Cb -0.20 -2.31 0.97 0.00 -1.46 0.00 0.00 42.92 39.93 1nyc s ASP 59 CO -0.03 -1.05 1.79 0.35 0.52 0.00 0.00 175.17 176.75 1nyc n THR 60 N 5.35 0.20 0.06 1.71 -2.24 -1.26 -0.82 114.28 117.28 1nyc n THR 60 Ca -0.02 -0.10 -0.15 0.00 -2.27 0.00 0.00 64.05 61.51 1nyc n THR 60 Cb 0.44 -0.42 -0.06 0.00 -2.10 0.00 0.00 70.33 68.20 1nyc n THR 60 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nyc h ALA 61 N 2.83 0.32 0.00 6.98 0.00 -1.96 -3.39 119.26 124.03 1nyc h ALA 61 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1nyc h ALA 61 Cb 0.59 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1nyc h ALA 61 CO 0.00 0.79 -0.02 0.72 0.00 0.00 0.00 179.25 180.74 1nyc n HIS 62 N -3.76 0.00 -3.44 0.00 8.25 -1.21 -5.03 115.22 110.02 1nyc n HIS 62 Ca -0.08 -0.50 -0.22 0.00 -0.26 0.00 0.00 57.72 56.67 1nyc n HIS 62 Cb 0.85 -0.06 0.06 0.00 1.12 0.00 0.00 29.99 31.95 1nyc n HIS 62 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1nyc n GLN 63 N -0.57 -2.19 -4.41 -0.41 3.00 0.00 -4.70 117.38 108.10 1nyc n GLN 63 Ca 0.03 0.70 -0.19 0.00 -0.01 0.00 0.00 57.00 57.53 1nyc n GLN 63 Cb 0.37 -5.17 -0.15 0.00 0.00 0.00 0.00 30.24 25.30 1nyc n GLN 63 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1nyc s ARG 64 N -5.11 0.82 0.01 -1.09 0.52 -0.89 -2.45 118.95 110.77 1nyc s ARG 64 Ca 0.42 -0.40 0.05 0.00 -0.52 0.00 0.00 55.73 55.28 1nyc s ARG 64 Cb -0.09 -0.79 -0.02 0.00 0.52 0.00 0.00 34.95 34.57 1nyc s ARG 64 CO 0.79 0.21 -0.16 0.96 0.02 0.00 0.00 175.30 177.12 1nyc s ILE 65 N -0.32 1.30 -0.05 1.52 -4.36 -0.59 -0.70 121.20 118.00 1nyc s ILE 65 Ca 0.03 -0.85 0.06 0.00 -0.26 0.00 0.00 60.65 59.63 1nyc s ILE 65 Cb -0.04 -1.11 -0.02 0.00 1.25 0.00 0.00 42.46 42.54 1nyc s ILE 65 CO -0.00 0.25 -0.22 -0.54 0.24 0.00 0.00 174.94 174.66 1nyc s LYS 66 N -0.70 2.45 0.19 0.37 1.02 -0.64 -0.70 119.74 121.73 1nyc s LYS 66 Ca 0.05 -0.86 -0.19 0.00 0.02 0.00 0.00 55.97 55.00 1nyc s LYS 66 Cb -0.07 -2.19 0.04 0.00 -0.52 0.00 0.00 37.83 35.08 1nyc s LYS 66 CO 0.00 0.48 0.55 -0.59 -0.92 0.00 0.00 175.35 174.87 1nyc s PHE 67 N -0.39 -0.22 0.10 3.18 -0.12 -0.39 0.08 117.98 120.21 1nyc s PHE 67 Ca 0.03 -0.10 -0.04 0.00 -0.05 0.00 0.00 56.93 56.77 1nyc s PHE 67 Cb -0.12 0.45 -0.02 0.00 -0.63 0.00 0.00 43.02 42.69 1nyc s PHE 67 CO 0.02 -0.92 0.10 -1.54 -0.05 0.00 0.00 175.22 172.83 1nyc s SER 68 N -2.85 0.28 0.69 1.98 1.04 -0.58 -0.90 113.70 113.37 1nyc s SER 68 Ca 0.07 -0.93 -0.15 0.00 0.48 0.00 0.00 55.95 55.42 1nyc s SER 68 Cb -0.01 0.29 0.02 0.00 0.10 0.00 0.00 66.02 66.42 1nyc s SER 68 CO -0.05 -0.71 1.16 -0.94 0.98 0.00 0.00 173.24 173.69 1nyc s SER 69 N -2.94 4.67 0.22 7.02 1.04 -1.26 -0.63 113.70 121.82 1nyc s SER 69 Ca 0.12 2.21 -0.09 0.00 0.48 0.00 0.00 55.95 58.67 1nyc s SER 69 Cb 0.06 -2.57 0.35 0.00 0.10 0.00 0.00 66.02 63.96 1nyc s SER 69 CO -0.06 -1.93 1.67 -0.26 0.98 0.00 0.00 173.24 173.64 1nyc h PHE 70 N -0.04 0.07 -0.22 5.02 -1.00 -1.78 -3.14 116.94 115.85 1nyc h PHE 70 Ca -0.48 0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.35 1nyc h PHE 70 Cb 1.27 0.07 0.00 0.00 3.61 0.00 0.00 35.95 40.90 1nyc h PHE 70 CO 0.50 -0.13 0.00 -0.25 -1.61 0.00 0.00 178.31 176.82 1nyc n ASP 71 N -5.23 2.66 -3.56 2.17 8.00 -1.26 -4.69 116.55 114.63 1nyc n ASP 71 Ca 0.11 -2.10 -0.27 0.00 0.71 0.00 0.00 54.79 53.24 1nyc n ASP 71 Cb 0.39 -0.18 -0.10 0.00 -0.02 0.00 0.00 41.12 41.21 1nyc n ASP 71 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1nyc n ASN 72 N 0.05 1.64 0.33 -2.24 5.15 -1.19 -4.93 115.26 114.08 1nyc n ASN 72 Ca 0.08 -2.91 0.21 0.00 -0.60 0.00 0.00 54.58 51.36 1nyc n ASN 72 Cb 0.40 -0.66 1.13 0.00 -0.53 0.00 0.00 39.78 40.12 1nyc n ASN 72 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 1nyc h GLU 73 N 5.08 0.00 -0.62 1.20 5.08 -1.84 -3.05 114.58 120.43 1nyc h GLU 73 Ca 0.19 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1nyc h GLU 73 Cb 0.80 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 1nyc h GLU 73 CO 0.59 0.00 0.38 1.49 -1.00 0.00 0.00 179.01 180.47 1nyc h GLU 74 N 0.00 0.85 -5.48 2.33 4.57 -1.93 -3.41 114.58 111.51 1nyc h GLU 74 Ca 0.00 -0.08 -0.62 0.00 -1.18 0.00 0.00 59.36 57.49 1nyc h GLU 74 Cb 0.07 -0.18 -0.12 0.00 -0.16 0.00 0.00 28.75 28.36 1nyc h GLU 74 CO -0.00 0.60 0.13 0.42 -1.18 0.00 0.00 179.01 178.98 1nyc s ILE 75 N -5.99 4.95 -0.16 2.32 1.01 -1.15 -1.66 121.20 120.52 1nyc s ILE 75 Ca -0.13 0.85 -0.05 0.00 0.00 0.00 0.00 60.65 61.32 1nyc s ILE 75 Cb 0.13 -3.98 -0.03 0.00 0.01 0.00 0.00 42.46 38.59 1nyc s ILE 75 CO 0.77 -0.11 0.02 -0.63 0.00 0.00 0.00 174.94 174.98 1nyc s ILE 76 N 2.57 4.38 -0.12 2.92 -1.09 -0.07 -4.41 121.20 125.39 1nyc s ILE 76 Ca 0.25 -0.18 -0.05 0.00 -2.23 0.00 0.00 60.65 58.43 1nyc s ILE 76 Cb -0.15 -2.94 -0.04 0.00 -1.58 0.00 0.00 42.46 37.75 1nyc s ILE 76 CO 0.11 0.49 0.08 -0.31 -1.23 0.00 0.00 174.94 174.08 1nyc s TYR 77 N 0.27 3.39 -0.08 3.97 1.51 -0.07 -1.12 117.35 125.21 1nyc s TYR 77 Ca 0.01 0.34 0.00 0.00 -1.01 0.00 0.00 57.07 56.41 1nyc s TYR 77 Cb -0.13 -1.91 0.02 0.00 -0.11 0.00 0.00 41.96 39.83 1nyc s TYR 77 CO 0.01 0.55 -0.07 0.42 -1.11 0.00 0.00 175.55 175.35 1nyc s ILE 78 N -0.74 0.88 -0.11 2.71 1.01 -0.21 -1.26 121.20 123.47 1nyc s ILE 78 Ca 0.13 -0.26 -0.04 0.00 0.00 0.00 0.00 60.65 60.48 1nyc s ILE 78 Cb -0.12 -0.88 -0.04 0.00 0.01 0.00 0.00 42.46 41.43 1nyc s ILE 78 CO 0.03 0.32 0.05 -0.76 0.00 0.00 0.00 174.94 174.58 1nyc s LEU 79 N 1.30 3.83 0.02 2.97 1.43 0.12 -0.81 118.68 127.54 1nyc s LEU 79 Ca -0.04 0.23 0.05 0.00 -1.03 0.00 0.00 54.13 53.35 1nyc s LEU 79 Cb -0.14 -1.90 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 1nyc s LEU 79 CO -0.03 0.37 -0.16 -1.81 0.23 0.00 0.00 176.35 174.95 1nyc s ASP 80 N -0.79 1.88 -0.00 2.29 1.11 -0.43 -1.54 116.67 119.18 1nyc s ASP 80 Ca 0.13 -0.40 -0.22 0.00 0.18 0.00 0.00 52.55 52.24 1nyc s ASP 80 Cb -0.12 -0.16 -0.05 0.00 1.07 0.00 0.00 42.92 43.66 1nyc s ASP 80 CO 0.03 0.12 0.64 -0.47 1.18 0.00 0.00 175.17 176.67 1nyc s TYR 81 N -0.65 3.68 -0.04 4.23 5.04 -1.02 -0.42 117.35 128.16 1nyc s TYR 81 Ca 0.04 1.26 -0.08 0.00 -2.44 0.00 0.00 57.07 55.85 1nyc s TYR 81 Cb -0.07 -2.68 -0.03 0.00 0.35 0.00 0.00 41.96 39.53 1nyc s TYR 81 CO 0.01 0.30 -0.16 -3.47 -1.34 0.00 0.00 175.55 170.89 1nyc n ASP 82 N 2.88 1.40 -1.74 4.32 2.03 -0.87 -4.93 116.55 119.65 1nyc n ASP 82 Ca -0.05 0.21 -0.04 0.00 0.52 0.00 0.00 54.79 55.43 1nyc n ASP 82 Cb 0.51 -0.51 0.01 0.00 -0.72 0.00 0.00 41.12 40.40 1nyc n ASP 82 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1nyc n ASP 83 N -3.85 -0.86 0.23 1.67 5.68 -0.59 -4.97 116.55 113.86 1nyc n ASP 83 Ca -0.06 -1.67 0.16 0.00 -0.50 0.00 0.00 54.79 52.72 1nyc n ASP 83 Cb 0.24 1.45 0.85 0.00 -1.14 0.00 0.00 41.12 42.52 1nyc n ASP 83 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 1nyc h THR 84 N 1.40 0.50 -0.11 2.12 2.02 -2.00 -2.44 112.91 114.40 1nyc h THR 84 Ca -0.13 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1nyc h THR 84 Cb 0.50 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1nyc h THR 84 CO 0.17 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.06 1nyc n GLN 85 N -3.83 1.33 -3.75 6.66 1.13 -1.26 -4.90 117.38 112.76 1nyc n GLN 85 Ca 0.00 -1.50 -0.13 0.00 -1.94 0.00 0.00 57.00 53.43 1nyc n GLN 85 Cb 0.25 -1.27 -0.13 0.00 0.11 0.00 0.00 30.24 29.19 1nyc n GLN 85 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1nyc s HIS 86 N -1.08 -0.27 0.18 1.08 3.76 -0.92 -0.76 115.29 117.28 1nyc s HIS 86 Ca 0.19 0.66 0.04 0.00 -0.15 0.00 0.00 55.06 55.80 1nyc s HIS 86 Cb 0.12 0.02 -0.05 0.00 1.11 0.00 0.00 32.58 33.79 1nyc s HIS 86 CO 0.17 -0.19 -0.07 0.96 -0.85 0.00 0.00 174.74 174.76 1nyc s ILE 87 N 0.99 1.15 -0.09 0.60 -4.36 -0.67 -1.55 121.20 117.28 1nyc s ILE 87 Ca -0.07 -2.06 0.01 0.00 -0.26 0.00 0.00 60.65 58.27 1nyc s ILE 87 Cb -0.09 -2.04 -0.02 0.00 1.25 0.00 0.00 42.46 41.56 1nyc s ILE 87 CO -0.06 -0.59 -0.11 -0.76 0.24 0.00 0.00 174.94 173.66 1nyc s LEU 88 N -3.23 2.89 -0.08 0.37 1.43 0.43 -0.56 118.68 119.93 1nyc s LEU 88 Ca 0.21 -0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.14 1nyc s LEU 88 Cb 0.03 -1.63 0.02 0.00 0.03 0.00 0.00 46.19 44.65 1nyc s LEU 88 CO 0.04 0.28 -0.10 -0.32 0.23 0.00 0.00 176.35 176.48 1nyc s MET 89 N -0.36 1.57 -0.06 1.70 1.75 -0.03 -1.31 119.30 122.56 1nyc s MET 89 Ca 0.04 -0.33 0.03 0.00 -1.25 0.00 0.00 55.69 54.18 1nyc s MET 89 Cb -0.12 -1.43 -0.02 0.00 2.84 0.00 0.00 34.83 36.09 1nyc s MET 89 CO 0.02 -0.09 -0.13 -1.14 -0.65 0.00 0.00 175.02 173.02 1nyc s GLN 90 N 1.08 2.63 -0.15 4.11 0.74 0.01 -1.29 119.66 126.79 1nyc s GLN 90 Ca -0.07 -0.68 0.01 0.00 0.05 0.00 0.00 55.36 54.67 1nyc s GLN 90 Cb -0.14 -2.43 0.02 0.00 1.10 0.00 0.00 33.01 31.56 1nyc s GLN 90 CO -0.01 0.58 -0.18 0.99 -0.55 0.00 0.00 175.29 176.12 1nyc s THR 91 N -0.61 1.81 0.03 -0.34 2.01 -1.26 -1.05 115.64 116.22 1nyc s THR 91 Ca 0.09 -0.80 0.03 0.00 0.31 0.00 0.00 61.69 61.32 1nyc s THR 91 Cb -0.11 -1.64 -0.02 0.00 0.01 0.00 0.00 72.50 70.74 1nyc s THR 91 CO 0.01 0.50 -0.09 -0.44 -0.69 0.00 0.00 174.62 173.91 1nyc s SER 92 N 1.21 1.04 -0.00 3.53 0.01 -0.28 -4.78 113.70 114.43 1nyc s SER 92 Ca 0.01 -0.39 -0.16 0.00 1.31 0.00 0.00 55.95 56.72 1nyc s SER 92 Cb -0.14 -0.04 -0.06 0.00 0.21 0.00 0.00 66.02 66.00 1nyc s SER 92 CO -0.08 -0.05 0.46 -0.55 0.41 0.00 0.00 173.24 173.43 1nyc s SER 93 N -1.01 6.85 0.60 2.44 0.15 -1.26 -0.89 113.70 120.58 1nyc s SER 93 Ca -0.03 1.01 0.31 0.00 0.70 0.00 0.00 55.95 57.95 1nyc s SER 93 Cb -0.07 -2.28 1.88 0.00 -1.71 0.00 0.00 66.02 63.83 1nyc s SER 93 CO 0.00 0.26 2.26 0.11 1.20 0.00 0.00 173.24 177.08 1nyc h LYS 94 N 4.99 0.00 -0.04 5.44 1.57 -1.68 -2.15 116.57 124.70 1nyc h LYS 94 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1nyc h LYS 94 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1nyc h LYS 94 CO 0.64 0.01 0.00 1.04 -0.57 0.00 0.00 179.45 180.57 1nyc n GLN 95 N -3.75 1.54 -2.02 3.15 1.13 -1.26 -5.02 117.38 111.15 1nyc n GLN 95 Ca -0.03 -1.60 -0.28 0.00 -1.94 0.00 0.00 57.00 53.16 1nyc n GLN 95 Cb 0.09 -1.35 0.09 0.00 0.11 0.00 0.00 30.24 29.18 1nyc n GLN 95 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1nyc s GLY 96 N -1.49 1.64 -0.09 1.08 0.00 -0.81 -5.08 107.32 102.58 1nyc s GLY 96 Ca 0.21 -0.81 0.01 0.00 0.00 0.00 0.00 44.72 44.13 1nyc s GLY 96 CO 0.23 -0.32 -0.09 -0.42 0.00 0.00 0.00 173.10 172.49 1nyc s ILE 97 N -3.48 3.44 0.00 0.90 -1.09 -1.26 -5.00 121.20 114.71 1nyc s ILE 97 Ca 0.62 -0.56 0.00 0.00 -2.23 0.00 0.00 60.65 58.49 1nyc s ILE 97 Cb -0.10 -2.42 0.00 0.00 -1.58 0.00 0.00 42.46 38.36 1nyc s ILE 97 CO 0.48 0.57 0.00 0.61 -1.23 0.00 0.00 174.94 175.36 1nyc n GLY 98 N 2.71 -0.80 3.17 6.18 0.00 -1.26 -4.96 105.19 110.23 1nyc n GLY 98 Ca -0.18 -2.25 -0.34 0.00 0.00 0.00 0.00 46.02 43.25 1nyc n GLY 98 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nyc s THR 99 N -0.81 2.52 -0.18 2.61 2.01 -1.26 -5.08 115.64 115.44 1nyc s THR 99 Ca 0.00 -0.91 -0.28 0.00 0.31 0.00 0.00 61.69 60.81 1nyc s THR 99 Cb 0.00 -2.16 -0.00 0.00 0.01 0.00 0.00 72.50 70.35 1nyc s THR 99 CO 0.00 0.41 0.98 -0.55 -0.69 0.00 0.00 174.62 174.77 1nyc s SER 100 N 1.32 7.10 0.27 3.53 0.15 -1.26 -5.00 113.70 119.82 1nyc s SER 100 Ca 0.03 1.37 -0.30 0.00 0.70 0.00 0.00 55.95 57.76 1nyc s SER 100 Cb -0.14 -2.52 -0.10 0.00 -1.71 0.00 0.00 66.02 61.54 1nyc s SER 100 CO -0.09 -0.55 1.40 -0.13 1.20 0.00 0.00 173.24 175.08 1nyc s ARG 101 N 2.65 4.29 0.49 5.44 0.52 -1.26 -4.83 118.95 126.25 1nyc s ARG 101 Ca 0.44 2.28 -0.24 0.00 -0.52 0.00 0.00 55.73 57.69 1nyc s ARG 101 Cb -0.16 -3.10 -0.07 0.00 0.52 0.00 0.00 34.95 32.14 1nyc s ARG 101 CO 0.11 -0.36 1.40 -2.30 0.02 0.00 0.00 175.30 174.17 1nyc n PRO 102 N 1.90 2.01 -3.94 3.54 -0.02 -1.26 -4.80 135.00 132.43 1nyc n PRO 102 Ca 0.05 0.73 -0.35 0.00 -2.02 0.00 0.00 63.50 61.90 1nyc n PRO 102 Cb 0.41 -2.61 -0.08 0.00 -0.02 0.00 0.00 33.50 31.19 1nyc n PRO 102 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1nyc s ILE 103 N -1.23 5.08 -0.09 4.25 -1.09 -0.41 -4.86 121.20 122.85 1nyc s ILE 103 Ca 0.66 0.06 -0.25 0.00 -2.23 0.00 0.00 60.65 58.89 1nyc s ILE 103 Cb -0.43 -3.27 -0.03 0.00 -1.58 0.00 0.00 42.46 37.15 1nyc s ILE 103 CO 0.54 0.51 0.80 -0.69 -1.23 0.00 0.00 174.94 174.87 1nyc s VAL 104 N -0.09 4.95 -0.05 2.92 1.01 -1.26 -0.85 120.40 127.03 1nyc s VAL 104 Ca 0.08 1.63 0.04 0.00 0.00 0.00 0.00 61.98 63.74 1nyc s VAL 104 Cb -0.12 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.11 1nyc s VAL 104 CO 0.01 0.16 -0.16 -0.31 0.00 0.00 0.00 175.10 174.79 1nyc s TYR 105 N 1.31 2.65 -0.03 5.22 1.51 0.27 -4.67 117.35 123.61 1nyc s TYR 105 Ca 0.41 -0.23 0.01 0.00 -1.01 0.00 0.00 57.07 56.25 1nyc s TYR 105 Cb -0.18 -1.62 -0.03 0.00 -0.11 0.00 0.00 41.96 40.02 1nyc s TYR 105 CO 0.18 0.13 -0.02 -2.00 -1.11 0.00 0.00 175.55 172.73 1nyc s GLU 106 N -0.66 2.78 0.23 -0.62 2.12 -0.05 -1.67 118.70 120.84 1nyc s GLU 106 Ca 0.10 -0.58 -0.30 0.00 0.36 0.00 0.00 54.97 54.55 1nyc s GLU 106 Cb -0.11 -2.66 -0.09 0.00 0.26 0.00 0.00 34.13 31.53 1nyc s GLU 106 CO 0.01 0.64 1.35 0.50 -0.54 0.00 0.00 175.26 177.22 1nyc s ARG 107 N -1.29 4.35 -0.28 4.30 3.52 0.06 -0.26 118.95 129.35 1nyc s ARG 107 Ca 0.17 2.15 -0.29 0.00 -0.13 0.00 0.00 55.73 57.63 1nyc s ARG 107 Cb -0.11 -3.15 0.01 0.00 -1.56 0.00 0.00 34.95 30.13 1nyc s ARG 107 CO 0.07 -0.30 1.11 -0.51 -0.81 0.00 0.00 175.30 174.86 1nyc s LEU 108 N -0.38 4.00 0.00 -0.88 1.43 0.16 -4.88 118.68 118.12 1nyc s LEU 108 Ca 0.57 1.23 0.00 0.00 -1.03 0.00 0.00 54.13 54.89 1nyc s LEU 108 Cb -0.39 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.29 1nyc s LEU 108 CO 0.41 -0.83 0.32 0.55 0.23 0.00 0.00 176.35 177.03