#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nf5 s GLU 2 N 0.00 3.36 0.77 -2.82 2.02 -1.26 -1.13 118.70 119.63 1nf5 s GLU 2 Ca 0.00 -0.21 -0.09 0.00 0.02 0.00 0.00 54.97 54.69 1nf5 s GLU 2 Cb 0.00 -3.99 0.09 0.00 0.10 0.00 0.00 34.13 30.33 1nf5 s GLU 2 CO 0.00 -1.26 1.09 -0.51 0.02 0.00 0.00 175.26 174.60 1nf5 s LEU 3 N 3.49 2.74 0.31 1.80 1.43 -0.31 -4.97 118.68 123.17 1nf5 s LEU 3 Ca 0.29 0.45 0.07 0.00 -1.03 0.00 0.00 54.13 53.91 1nf5 s LEU 3 Cb -0.13 -2.95 -0.02 0.00 0.03 0.00 0.00 46.19 43.12 1nf5 s LEU 3 CO 0.21 -1.85 0.36 0.42 0.23 0.00 0.00 176.35 175.72 1nf5 s THR 4 N -3.41 4.12 0.30 5.49 -4.23 -1.26 -4.82 115.64 111.83 1nf5 s THR 4 Ca 0.63 -1.17 0.01 0.00 -1.18 0.00 0.00 61.69 59.98 1nf5 s THR 4 Cb -0.09 -3.40 0.28 0.00 1.34 0.00 0.00 72.50 70.62 1nf5 s THR 4 CO 0.47 -0.21 1.90 0.50 -0.54 0.00 0.00 174.62 176.74 1nf5 h LYS 5 N 1.12 0.99 -0.38 3.99 3.64 -1.99 -0.96 116.57 122.98 1nf5 h LYS 5 Ca -0.47 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 58.73 1nf5 h LYS 5 Cb 1.25 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 1nf5 h LYS 5 CO 0.57 0.65 -0.23 0.00 -2.27 0.00 0.00 179.45 178.17 1nf5 h LYS 7 N 0.63 0.67 0.07 0.00 1.57 -1.76 -1.84 116.57 115.91 1nf5 h LYS 7 Ca 0.08 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1nf5 h LYS 7 Cb 0.79 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 1nf5 h LYS 7 CO 0.06 0.54 -0.07 0.28 -0.57 0.00 0.00 179.45 179.70 1nf5 h VAL 8 N 0.63 0.85 -0.56 0.50 2.07 -1.15 -0.24 116.25 118.34 1nf5 h VAL 8 Ca 0.17 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 1nf5 h VAL 8 Cb 0.08 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1nf5 h VAL 8 CO -0.02 0.00 0.32 0.77 0.02 0.00 0.00 177.57 178.65 1nf5 h SER 9 N -0.15 0.67 -0.15 0.57 4.64 -1.06 -0.80 113.55 117.27 1nf5 h SER 9 Ca 0.00 -0.04 -0.06 0.00 -0.47 0.00 0.00 61.79 61.22 1nf5 h SER 9 Cb 0.15 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1nf5 h SER 9 CO -0.02 0.54 -0.13 -0.74 -0.87 0.00 0.00 176.83 175.61 1nf5 h HIS 10 N 0.77 0.43 -0.66 4.77 6.17 -1.07 -2.69 115.15 122.88 1nf5 h HIS 10 Ca 0.20 -0.12 -0.00 0.00 0.71 0.00 0.00 60.37 61.16 1nf5 h HIS 10 Cb 0.00 -0.09 -0.03 0.00 2.52 0.00 0.00 27.41 29.81 1nf5 h HIS 10 CO 0.00 0.73 0.40 0.00 0.71 0.00 0.00 177.93 179.78 1nf5 h ALA 11 N 0.63 1.47 -0.47 5.26 0.00 -0.44 -2.83 119.26 122.88 1nf5 h ALA 11 Ca 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1nf5 h ALA 11 Cb 0.65 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1nf5 h ALA 11 CO 0.03 0.46 0.00 0.44 0.00 0.00 0.00 179.25 180.19 1nf5 n ILE 12 N -4.41 0.62 -0.49 0.00 -5.35 -0.36 -4.63 119.36 104.74 1nf5 n ILE 12 Ca 0.07 -0.75 0.41 0.00 -0.27 0.00 0.00 62.75 62.20 1nf5 n ILE 12 Cb 0.06 0.68 0.67 0.00 -1.74 0.00 0.00 39.64 39.32 1nf5 n ILE 12 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1nf5 n LYS 13 N 1.32 -0.03 0.00 6.28 4.76 -1.01 -0.80 118.16 128.68 1nf5 n LYS 13 Ca 0.20 1.19 0.11 0.00 -2.87 0.00 0.00 58.31 56.94 1nf5 n LYS 13 Cb 0.55 -2.39 0.56 0.00 -1.84 0.00 0.00 35.03 31.91 1nf5 n LYS 13 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1nf5 n ASP 14 N -4.53 0.00 -0.01 4.39 8.00 -1.26 -2.70 116.55 120.44 1nf5 n ASP 14 Ca 0.40 0.17 0.11 0.00 0.71 0.00 0.00 54.79 56.18 1nf5 n ASP 14 Cb 1.58 -0.37 0.15 0.00 -0.02 0.00 0.00 41.12 42.45 1nf5 n ASP 14 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nf5 n ILE 15 N -1.37 0.00 -1.66 0.53 3.06 0.02 -4.91 119.36 115.03 1nf5 n ILE 15 Ca 0.09 -0.01 -0.49 0.00 -2.50 0.00 0.00 62.75 59.85 1nf5 n ILE 15 Cb 0.22 0.46 -0.05 0.00 0.54 0.00 0.00 39.64 40.82 1nf5 n ILE 15 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 1nf5 n ASP 16 N -1.47 2.85 0.00 9.51 2.03 -1.10 -1.92 116.55 126.46 1nf5 n ASP 16 Ca 0.05 1.06 0.00 0.00 0.52 0.00 0.00 54.79 56.42 1nf5 n ASP 16 Cb 0.34 -1.35 0.00 0.00 -0.72 0.00 0.00 41.12 39.39 1nf5 n ASP 16 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1nf5 n GLY 17 N 3.55 2.85 3.64 0.27 0.00 0.97 -5.00 105.19 111.47 1nf5 n GLY 17 Ca 0.19 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.76 1nf5 n GLY 17 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1nf5 n TYR 18 N -0.19 1.85 -1.43 1.61 4.02 -0.81 0.46 117.16 122.68 1nf5 n TYR 18 Ca 0.00 0.53 -0.15 0.00 -0.01 0.00 0.00 57.90 58.27 1nf5 n TYR 18 Cb 0.00 -2.39 -0.07 0.00 -0.02 0.00 0.00 39.34 36.87 1nf5 n TYR 18 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 1nf5 n GLN 19 N 1.71 -1.52 -1.12 -0.72 -0.06 -1.26 -1.74 117.38 112.67 1nf5 n GLN 19 Ca 0.12 0.99 -0.04 0.00 -2.00 0.00 0.00 57.00 56.06 1nf5 n GLN 19 Cb 0.30 -5.32 -0.02 0.00 -4.06 0.00 0.00 30.24 21.14 1nf5 n GLN 19 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1nf5 n GLY 20 N -0.13 0.69 3.70 1.69 0.00 0.17 -4.97 105.19 106.35 1nf5 n GLY 20 Ca -0.15 -0.49 -0.36 0.00 0.00 0.00 0.00 46.02 45.02 1nf5 n GLY 20 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nf5 s ILE 21 N -2.04 5.37 0.68 -0.61 -1.09 -0.71 -4.90 121.20 117.89 1nf5 s ILE 21 Ca 0.00 0.27 -0.04 0.00 -2.23 0.00 0.00 60.65 58.65 1nf5 s ILE 21 Cb 0.00 -3.52 0.07 0.00 -1.58 0.00 0.00 42.46 37.43 1nf5 s ILE 21 CO 0.00 0.39 0.97 -0.94 -1.23 0.00 0.00 174.94 174.13 1nf5 s SER 22 N 0.63 4.76 0.40 3.58 1.04 -1.26 -0.02 113.70 122.83 1nf5 s SER 22 Ca 0.10 0.20 0.12 0.00 0.48 0.00 0.00 55.95 56.84 1nf5 s SER 22 Cb -0.12 -0.83 0.82 0.00 0.10 0.00 0.00 66.02 65.98 1nf5 s SER 22 CO 0.01 -1.59 1.90 -0.07 0.98 0.00 0.00 173.24 174.48 1nf5 h LEU 23 N -0.47 0.08 -0.30 2.42 3.38 -1.94 -1.54 115.31 116.93 1nf5 h LEU 23 Ca -0.43 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.48 1nf5 h LEU 23 Cb 1.30 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 1nf5 h LEU 23 CO 0.54 0.33 -0.01 -0.07 0.09 0.00 0.00 178.44 179.32 1nf5 h LEU 24 N 0.07 0.52 -0.85 1.67 3.38 -1.89 0.16 115.31 118.37 1nf5 h LEU 24 Ca 0.01 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.63 1nf5 h LEU 24 Cb 0.47 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 1nf5 h LEU 24 CO 0.03 0.71 0.39 -0.33 0.09 0.00 0.00 178.44 179.34 1nf5 h GLU 25 N 0.32 1.22 -0.43 1.13 5.08 -1.82 -1.93 114.58 118.15 1nf5 h GLU 25 Ca 0.08 -0.19 -0.09 0.00 -1.00 0.00 0.00 59.36 58.16 1nf5 h GLU 25 Cb 0.45 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1nf5 h GLU 25 CO 0.02 0.95 -0.09 -1.49 -1.00 0.00 0.00 179.01 177.40 1nf5 h TRP 26 N 1.21 0.93 -1.01 4.33 4.06 -1.10 0.25 115.95 124.61 1nf5 h TRP 26 Ca 0.29 -0.19 0.03 0.00 2.06 0.00 0.00 58.89 61.07 1nf5 h TRP 26 Cb 0.14 -0.23 -0.06 0.00 -1.00 0.00 0.00 29.16 28.01 1nf5 h TRP 26 CO 0.02 0.93 0.66 0.00 -3.56 0.00 0.00 178.44 176.49 1nf5 h ALA 27 N 0.87 1.32 0.24 1.49 0.00 -0.78 0.23 119.26 122.63 1nf5 h ALA 27 Ca 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1nf5 h ALA 27 Cb 0.62 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1nf5 h ALA 27 CO 0.04 0.59 -0.12 0.00 0.00 0.00 0.00 179.25 179.77 1nf5 h VAL 29 N -0.63 0.80 -0.08 0.00 2.07 -0.05 -2.67 116.25 115.69 1nf5 h VAL 29 Ca -0.03 -0.09 -0.12 0.00 0.82 0.00 0.00 66.70 67.28 1nf5 h VAL 29 Cb 0.45 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1nf5 h VAL 29 CO 0.05 0.05 -0.47 -0.07 0.02 0.00 0.00 177.57 177.15 1nf5 h LEU 30 N 0.25 0.22 -0.30 2.57 3.38 -0.55 -0.30 115.31 120.57 1nf5 h LEU 30 Ca 0.21 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1nf5 h LEU 30 Cb 0.24 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1nf5 h LEU 30 CO -0.25 0.66 0.19 0.15 0.09 0.00 0.00 178.44 179.29 1nf5 h PHE 31 N 0.17 0.39 0.00 1.13 3.57 -1.00 -1.33 116.94 119.86 1nf5 h PHE 31 Ca 0.01 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 1nf5 h PHE 31 Cb 0.90 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 1nf5 h PHE 31 CO 0.01 0.26 -0.24 0.45 -2.23 0.00 0.00 178.31 176.56 1nf5 h HIS 32 N 0.40 0.00 0.09 0.41 3.86 -1.25 0.32 115.15 118.99 1nf5 h HIS 32 Ca 0.11 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.20 1nf5 h HIS 32 Cb -0.03 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.46 1nf5 h HIS 32 CO -0.05 0.24 -0.54 1.15 0.86 0.00 0.00 177.93 179.59 1nf5 h THR 33 N 0.00 1.61 0.00 2.45 2.02 -0.77 -3.42 112.91 114.80 1nf5 h THR 33 Ca -0.00 -2.47 0.00 0.00 0.77 0.00 0.00 66.41 64.70 1nf5 h THR 33 Cb 0.92 3.27 0.00 0.00 -1.74 0.00 0.00 68.15 70.60 1nf5 h THR 33 CO 0.03 0.68 0.00 -1.54 0.37 0.00 0.00 175.52 175.06 1nf5 n SER 34 N -4.29 0.31 -1.66 4.18 3.41 -0.53 -4.90 113.62 110.13 1nf5 n SER 34 Ca -0.13 -0.93 -0.17 0.00 -0.26 0.00 0.00 58.87 57.38 1nf5 n SER 34 Cb 0.71 0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.65 1nf5 n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nf5 n GLY 35 N 0.03 0.43 2.51 5.00 0.00 0.11 -1.80 105.19 111.47 1nf5 n GLY 35 Ca 0.00 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 1nf5 n GLY 35 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1nf5 n TYR 36 N -3.45 0.00 -2.90 1.61 4.01 -1.23 -4.72 117.16 110.49 1nf5 n TYR 36 Ca -0.19 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.12 1nf5 n TYR 36 Cb 0.61 -2.53 -0.05 0.00 -0.31 0.00 0.00 39.34 37.07 1nf5 n TYR 36 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1nf5 s ASP 37 N -2.68 6.33 0.23 7.72 -1.08 -0.75 -1.16 116.67 125.27 1nf5 s ASP 37 Ca 0.00 -0.42 0.16 0.00 -0.52 0.00 0.00 52.55 51.77 1nf5 s ASP 37 Cb 0.00 -2.41 0.84 0.00 -1.46 0.00 0.00 42.92 39.89 1nf5 s ASP 37 CO 0.00 -1.15 1.48 0.35 0.52 0.00 0.00 175.17 176.37 1nf5 n THR 38 N 6.10 1.30 -0.46 1.71 -2.24 -0.29 -1.85 114.28 118.55 1nf5 n THR 38 Ca 0.01 0.65 0.07 0.00 -2.27 0.00 0.00 64.05 62.51 1nf5 n THR 38 Cb 0.47 -1.65 0.21 0.00 -2.10 0.00 0.00 70.33 67.27 1nf5 n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nf5 n GLN 39 N -2.04 2.99 -1.83 -0.78 6.02 -1.26 -4.04 117.38 116.44 1nf5 n GLN 39 Ca -0.01 -2.39 -0.41 0.00 -0.01 0.00 0.00 57.00 54.17 1nf5 n GLN 39 Cb 0.03 -1.51 -0.02 0.00 1.02 0.00 0.00 30.24 29.76 1nf5 n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1nf5 s ALA 40 N -1.60 3.70 -0.10 -1.58 0.00 -0.77 -4.76 121.76 116.64 1nf5 s ALA 40 Ca 0.33 1.52 -0.02 0.00 0.00 0.00 0.00 51.96 53.79 1nf5 s ALA 40 Cb 0.21 -3.62 0.04 0.00 0.00 0.00 0.00 23.12 19.74 1nf5 s ALA 40 CO 0.16 -0.94 0.02 0.08 0.00 0.00 0.00 175.76 175.07 1nf5 s VAL 41 N -0.14 0.34 -0.05 0.00 1.01 -1.26 -0.31 120.40 119.99 1nf5 s VAL 41 Ca 0.61 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.59 1nf5 s VAL 41 Cb -0.46 -0.61 0.01 0.00 0.00 0.00 0.00 36.38 35.32 1nf5 s VAL 41 CO 0.49 0.12 -0.10 -0.69 0.00 0.00 0.00 175.10 174.92 1nf5 s VAL 42 N 1.98 0.91 0.09 2.92 1.01 -0.68 -4.97 120.40 121.66 1nf5 s VAL 42 Ca 0.04 -0.37 -0.27 0.00 0.00 0.00 0.00 61.98 61.37 1nf5 s VAL 42 Cb -0.13 -0.85 -0.06 0.00 0.00 0.00 0.00 36.38 35.34 1nf5 s VAL 42 CO -0.06 0.30 0.86 0.20 0.00 0.00 0.00 175.10 176.40 1nf5 s ASN 43 N 0.60 7.38 -0.36 3.32 0.01 -1.26 -0.92 114.94 123.71 1nf5 s ASN 43 Ca -0.11 1.64 0.01 0.00 -0.71 0.00 0.00 52.86 53.69 1nf5 s ASN 43 Cb -0.14 -2.53 0.14 0.00 0.41 0.00 0.00 41.25 39.14 1nf5 s ASN 43 CO 0.02 0.00 0.24 -0.62 -1.51 0.00 0.00 177.10 175.23 1nf5 s ASP 44 N -0.17 2.61 -1.09 -1.22 -1.08 0.75 -4.97 116.67 111.50 1nf5 s ASP 44 Ca 0.42 -2.22 -0.06 0.00 -0.52 0.00 0.00 52.55 50.17 1nf5 s ASP 44 Cb -0.22 -0.30 -0.05 0.00 -1.46 0.00 0.00 42.92 40.89 1nf5 s ASP 44 CO 0.27 -0.29 0.91 0.59 0.52 0.00 0.00 175.17 177.17 1nf5 n ASN 45 N 3.93 -5.70 0.00 -0.34 3.02 -1.26 -2.59 115.26 112.32 1nf5 n ASN 45 Ca 0.14 -0.73 0.00 0.00 -0.03 0.00 0.00 54.58 53.96 1nf5 n ASN 45 Cb 0.39 -4.99 0.00 0.00 -0.61 0.00 0.00 39.78 34.57 1nf5 n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nf5 n GLY 46 N -1.27 2.59 3.61 7.41 0.00 -1.26 -4.99 105.19 111.28 1nf5 n GLY 46 Ca -0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 1nf5 n GLY 46 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nf5 s SER 47 N -3.25 3.76 -0.03 1.61 1.04 -1.07 -5.01 113.70 110.75 1nf5 s SER 47 Ca 0.00 -1.38 0.02 0.00 0.48 0.00 0.00 55.95 55.07 1nf5 s SER 47 Cb 0.00 -0.34 0.00 0.00 0.10 0.00 0.00 66.02 65.78 1nf5 s SER 47 CO 0.00 -0.48 -0.09 -0.89 0.98 0.00 0.00 173.24 172.76 1nf5 s THR 48 N -2.77 0.78 -0.08 2.02 2.01 -1.26 -0.18 115.64 116.16 1nf5 s THR 48 Ca 0.34 -0.36 -0.01 0.00 0.31 0.00 0.00 61.69 61.98 1nf5 s THR 48 Cb 0.10 -0.70 -0.03 0.00 0.01 0.00 0.00 72.50 71.87 1nf5 s THR 48 CO 0.17 0.25 -0.02 -1.61 -0.69 0.00 0.00 174.62 172.72 1nf5 s GLU 49 N 0.22 2.91 -0.06 4.92 2.02 -0.09 -1.24 118.70 127.38 1nf5 s GLU 49 Ca -0.04 -0.46 0.05 0.00 0.02 0.00 0.00 54.97 54.54 1nf5 s GLU 49 Cb -0.09 -2.72 -0.02 0.00 0.10 0.00 0.00 34.13 31.40 1nf5 s GLU 49 CO 0.01 0.68 -0.21 0.71 0.02 0.00 0.00 175.26 176.47 1nf5 s TYR 50 N -0.84 2.54 0.00 1.61 1.51 0.50 -1.69 117.35 120.99 1nf5 s TYR 50 Ca 0.13 -0.56 0.00 0.00 -1.01 0.00 0.00 57.07 55.63 1nf5 s TYR 50 Cb -0.11 -1.63 0.00 0.00 -0.11 0.00 0.00 41.96 40.11 1nf5 s TYR 50 CO 0.02 -0.11 0.00 0.41 -1.11 0.00 0.00 175.55 174.76 1nf5 n GLY 51 N 2.84 -0.84 0.26 0.71 0.00 0.58 -1.78 105.19 106.96 1nf5 n GLY 51 Ca -0.17 -1.09 0.04 0.00 0.00 0.00 0.00 46.02 44.80 1nf5 n GLY 51 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1nf5 h LEU 52 N 0.00 -0.07 -0.14 0.99 5.85 -1.70 -0.83 115.31 119.41 1nf5 h LEU 52 Ca 0.00 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1nf5 h LEU 52 Cb 0.00 0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1nf5 h LEU 52 CO 0.00 -0.06 -0.22 0.49 -0.34 0.00 0.00 178.44 178.31 1nf5 n PHE 53 N -5.19 0.00 -3.64 1.25 3.72 -1.26 -4.22 117.46 108.11 1nf5 n PHE 53 Ca 0.13 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.28 1nf5 n PHE 53 Cb 0.43 -0.26 0.04 0.00 -0.94 0.00 0.00 39.48 38.75 1nf5 n PHE 53 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1nf5 n GLN 54 N -1.20 -2.74 -2.61 -1.08 1.13 -0.32 -4.93 117.38 105.64 1nf5 n GLN 54 Ca 0.10 0.57 -0.42 0.00 -1.94 0.00 0.00 57.00 55.31 1nf5 n GLN 54 Cb 0.32 -4.77 -0.03 0.00 0.11 0.00 0.00 30.24 25.86 1nf5 n GLN 54 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1nf5 s ILE 55 N -3.56 4.50 0.17 5.09 1.01 -0.74 -4.41 121.20 123.27 1nf5 s ILE 55 Ca 0.28 1.85 -0.23 0.00 0.00 0.00 0.00 60.65 62.54 1nf5 s ILE 55 Cb -0.08 -4.18 -0.08 0.00 0.01 0.00 0.00 42.46 38.13 1nf5 s ILE 55 CO 0.83 0.17 0.75 -0.55 0.00 0.00 0.00 174.94 176.14 1nf5 s SER 56 N 0.83 7.29 0.00 3.58 0.15 -1.26 -0.37 113.70 123.92 1nf5 s SER 56 Ca 0.53 1.56 0.28 0.00 0.70 0.00 0.00 55.95 59.03 1nf5 s SER 56 Cb -0.24 -2.47 1.66 0.00 -1.71 0.00 0.00 66.02 63.26 1nf5 s SER 56 CO 0.29 0.17 2.07 -0.90 1.20 0.00 0.00 173.24 176.08 1nf5 n ASP 57 N 1.40 0.05 -0.02 5.45 5.68 -0.37 -2.60 116.55 126.14 1nf5 n ASP 57 Ca -0.05 -1.13 -0.11 0.00 -0.50 0.00 0.00 54.79 52.99 1nf5 n ASP 57 Cb 0.49 -0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.50 1nf5 n ASP 57 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1nf5 h ARG 58 N 0.08 0.65 0.00 0.11 2.43 -1.82 -3.43 114.38 112.40 1nf5 h ARG 58 Ca 0.00 -0.42 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 1nf5 h ARG 58 Cb 0.02 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1nf5 h ARG 58 CO 0.00 1.03 -0.28 1.19 -1.51 0.00 0.00 179.97 180.41 1nf5 n PHE 59 N -3.97 0.00 0.02 2.20 3.72 -1.24 -4.07 117.46 114.13 1nf5 n PHE 59 Ca -0.04 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.14 1nf5 n PHE 59 Cb 0.62 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 39.02 1nf5 n PHE 59 CO 0.00 0.00 0.00 -1.49 -0.05 0.00 0.00 176.76 175.22 1nf5 h TRP 60 N 0.00 0.54 -2.90 1.38 4.06 -1.76 0.19 115.95 117.46 1nf5 h TRP 60 Ca 0.00 -0.40 -0.45 0.00 2.06 0.00 0.00 58.89 60.11 1nf5 h TRP 60 Cb 0.28 -0.02 -0.14 0.00 -1.00 0.00 0.00 29.16 28.27 1nf5 h TRP 60 CO 0.00 1.72 -0.68 0.00 -3.56 0.00 0.00 178.44 175.92 1nf5 s LYS 62 N -3.75 4.05 0.39 0.00 2.20 0.42 -4.50 119.74 118.56 1nf5 s LYS 62 Ca 0.27 -0.25 0.08 0.00 -0.36 0.00 0.00 55.97 55.71 1nf5 s LYS 62 Cb 0.03 -3.56 -0.07 0.00 -1.51 0.00 0.00 37.83 32.72 1nf5 s LYS 62 CO 0.10 0.00 -0.02 -1.54 -0.36 0.00 0.00 175.35 173.53 1nf5 s SER 63 N 1.20 3.87 0.32 1.43 1.04 -1.26 -1.30 113.70 119.00 1nf5 s SER 63 Ca 0.08 -1.29 0.05 0.00 0.48 0.00 0.00 55.95 55.27 1nf5 s SER 63 Cb -0.14 -0.39 0.55 0.00 0.10 0.00 0.00 66.02 66.14 1nf5 s SER 63 CO 0.06 -0.36 1.82 -1.28 0.98 0.00 0.00 173.24 174.45 1nf5 h SER 64 N 1.84 0.43 0.75 7.02 0.87 -1.99 -3.21 113.55 119.25 1nf5 h SER 64 Ca -0.43 -0.11 -0.13 0.00 -1.23 0.00 0.00 61.79 59.89 1nf5 h SER 64 Cb 1.24 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 63.07 1nf5 h SER 64 CO 0.76 0.60 -0.63 -0.33 -0.53 0.00 0.00 176.83 176.71 1nf5 h GLU 65 N 0.41 0.00 -2.80 2.24 3.07 -1.99 -3.40 114.58 112.12 1nf5 h GLU 65 Ca 0.08 0.00 -0.61 0.00 -0.50 0.00 0.00 59.36 58.33 1nf5 h GLU 65 Cb 0.49 0.00 -0.42 0.00 -0.84 0.00 0.00 28.75 27.98 1nf5 h GLU 65 CO 0.03 0.63 -0.63 0.34 -1.40 0.00 0.00 179.01 177.98 1nf5 n PHE 66 N -3.67 2.85 -0.27 4.33 -0.00 -1.21 -4.95 117.46 114.53 1nf5 n PHE 66 Ca -0.01 -4.17 0.05 0.00 -0.00 0.00 0.00 57.45 53.33 1nf5 n PHE 66 Cb 0.65 -0.52 0.15 0.00 -0.00 0.00 0.00 39.48 39.76 1nf5 n PHE 66 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.76 175.41 1nf5 h PRO 67 N 5.11 0.05 0.00 -7.13 0.11 -1.79 -1.76 132.00 126.60 1nf5 h PRO 67 Ca 0.17 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1nf5 h PRO 67 Cb 0.75 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1nf5 h PRO 67 CO 0.70 0.04 0.00 -0.85 -0.21 0.00 0.00 178.00 177.68 1nf5 n GLU 68 N -5.42 0.89 -1.86 1.05 0.00 -1.26 -4.87 120.64 109.17 1nf5 n GLU 68 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 57.16 56.88 1nf5 n GLU 68 Cb 0.48 -1.09 -0.02 0.00 0.00 0.00 0.00 31.44 30.81 1nf5 n GLU 68 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1nf5 s SER 69 N -1.26 6.47 0.27 -1.84 0.15 -0.66 -4.87 113.70 111.95 1nf5 s SER 69 Ca 0.07 2.86 0.24 0.00 0.70 0.00 0.00 55.95 59.82 1nf5 s SER 69 Cb 0.03 -2.63 0.99 0.00 -1.71 0.00 0.00 66.02 62.70 1nf5 s SER 69 CO 0.06 -0.84 1.72 -0.62 1.20 0.00 0.00 173.24 174.76 1nf5 n GLU 70 N 2.09 0.20 -3.90 5.44 4.71 -1.24 -4.89 120.64 123.05 1nf5 n GLU 70 Ca 0.07 0.42 -0.31 0.00 -0.01 0.00 0.00 57.16 57.33 1nf5 n GLU 70 Cb 0.38 -1.88 0.00 0.00 -1.01 0.00 0.00 31.44 28.93 1nf5 n GLU 70 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1nf5 n ASN 71 N -2.26 -2.57 -0.15 1.62 4.05 -0.00 -4.81 115.26 111.13 1nf5 n ASN 71 Ca 0.02 -1.08 0.05 0.00 0.45 0.00 0.00 54.58 54.03 1nf5 n ASN 71 Cb 0.24 -2.84 0.35 0.00 1.23 0.00 0.00 39.78 38.75 1nf5 n ASN 71 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 177.26 174.61 1nf5 h ILE 72 N -1.98 1.06 0.00 -1.44 2.04 -0.55 -0.86 117.51 115.78 1nf5 h ILE 72 Ca -0.66 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 64.94 1nf5 h ILE 72 Cb 1.38 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1nf5 h ILE 72 CO 0.56 0.14 0.00 0.00 0.00 0.00 0.00 178.15 178.85 1nf5 n GLY 74 N 1.06 -0.27 3.17 0.00 0.00 -0.33 -4.95 105.19 103.87 1nf5 n GLY 74 Ca 0.06 0.06 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 1nf5 n GLY 74 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1nf5 s ILE 75 N -3.28 0.06 0.21 -0.61 2.07 -1.26 -5.05 121.20 113.34 1nf5 s ILE 75 Ca 0.26 -0.51 -0.30 0.00 -1.41 0.00 0.00 60.65 58.70 1nf5 s ILE 75 Cb -0.11 -0.50 -0.08 0.00 0.13 0.00 0.00 42.46 41.89 1nf5 s ILE 75 CO 0.61 -0.28 1.18 -0.55 -1.91 0.00 0.00 174.94 173.99 1nf5 s SER 76 N -1.16 7.11 0.59 4.50 0.15 -1.26 -0.43 113.70 123.19 1nf5 s SER 76 Ca -0.12 2.26 0.28 0.00 0.70 0.00 0.00 55.95 59.07 1nf5 s SER 76 Cb -0.06 -2.61 1.65 0.00 -1.71 0.00 0.00 66.02 63.29 1nf5 s SER 76 CO 0.03 -0.33 2.11 0.00 1.20 0.00 0.00 173.24 176.24 1nf5 h ASP 78 N 0.00 0.00 0.48 0.00 3.32 -1.91 -0.85 116.42 117.47 1nf5 h ASP 78 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1nf5 h ASP 78 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1nf5 h ASP 78 CO -0.00 0.08 0.00 0.29 -1.72 0.00 0.00 179.24 177.89 1nf5 n LYS 79 N -3.32 0.14 -0.17 3.56 4.76 -0.04 -1.55 118.16 121.53 1nf5 n LYS 79 Ca -0.01 0.46 0.11 0.00 -2.87 0.00 0.00 58.31 56.00 1nf5 n LYS 79 Cb 0.27 -1.82 0.26 0.00 -1.84 0.00 0.00 35.03 31.90 1nf5 n LYS 79 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1nf5 n LEU 80 N -2.09 2.99 -0.83 -0.35 4.77 -0.32 -4.12 117.00 117.04 1nf5 n LEU 80 Ca 0.01 -1.29 0.07 0.00 -0.03 0.00 0.00 56.01 54.77 1nf5 n LEU 80 Cb 0.16 -0.22 0.21 0.00 -2.33 0.00 0.00 43.42 41.23 1nf5 n LEU 80 CO 0.15 0.65 0.67 0.18 -1.33 0.00 0.00 177.39 177.71 1nf5 n LEU 81 N 1.18 3.37 0.00 2.23 4.77 -0.60 -3.45 117.00 124.50 1nf5 n LEU 81 Ca 0.19 -2.23 -0.21 0.00 -0.03 0.00 0.00 56.01 53.72 1nf5 n LEU 81 Cb 0.53 -0.34 0.02 0.00 -2.33 0.00 0.00 43.42 41.30 1nf5 n LEU 81 CO 0.15 0.75 0.16 -0.90 -1.33 0.00 0.00 177.39 176.21 1nf5 n ASP 82 N 0.47 2.32 -0.57 -1.43 5.68 -1.26 -4.49 116.55 117.28 1nf5 n ASP 82 Ca 0.16 -2.57 0.12 0.00 -0.50 0.00 0.00 54.79 52.00 1nf5 n ASP 82 Cb 0.57 -0.16 0.40 0.00 -1.14 0.00 0.00 41.12 40.80 1nf5 n ASP 82 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1nf5 n ASP 83 N -2.05 1.72 -4.46 -1.12 9.92 -1.26 -4.70 116.55 114.60 1nf5 n ASP 83 Ca 0.04 -1.67 -0.43 0.00 -0.53 0.00 0.00 54.79 52.20 1nf5 n ASP 83 Cb 0.55 -0.08 -0.06 0.00 -0.64 0.00 0.00 41.12 40.88 1nf5 n ASP 83 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1nf5 s GLU 84 N -1.84 3.16 0.00 -1.24 0.41 -1.26 -4.94 118.70 112.99 1nf5 s GLU 84 Ca 0.34 -0.76 0.28 0.00 -0.41 0.00 0.00 54.97 54.42 1nf5 s GLU 84 Cb 0.19 -4.06 1.05 0.00 -1.78 0.00 0.00 34.13 29.53 1nf5 s GLU 84 CO 0.28 -1.16 1.77 1.28 -0.49 0.00 0.00 175.26 176.94 1nf5 n LEU 85 N 6.20 0.37 -0.07 1.80 4.32 -1.26 -4.35 117.00 124.00 1nf5 n LEU 85 Ca -0.05 0.12 -0.02 0.00 -0.02 0.00 0.00 56.01 56.04 1nf5 n LEU 85 Cb 0.46 -0.27 0.23 0.00 -1.62 0.00 0.00 43.42 42.22 1nf5 n LEU 85 CO 0.54 0.08 0.95 0.44 -1.22 0.00 0.00 177.39 178.17 1nf5 h ASP 86 N 0.31 0.65 0.52 -1.43 3.45 -1.92 -0.62 116.42 117.39 1nf5 h ASP 86 Ca 0.00 -0.12 -0.18 0.00 0.43 0.00 0.00 57.03 57.16 1nf5 h ASP 86 Cb 0.43 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 39.02 1nf5 h ASP 86 CO 0.00 0.68 -0.77 -2.24 -1.57 0.00 0.00 179.24 175.34 1nf5 h ASP 87 N 0.67 0.24 -0.56 6.45 3.04 -1.93 -0.55 116.42 123.77 1nf5 h ASP 87 Ca 0.14 -0.17 -0.01 0.00 -3.24 0.00 0.00 57.03 53.75 1nf5 h ASP 87 Cb 0.33 -0.07 -0.03 0.00 -1.04 0.00 0.00 39.33 38.52 1nf5 h ASP 87 CO 0.01 0.92 0.32 0.44 -2.04 0.00 0.00 179.24 178.88 1nf5 h ASP 88 N 0.12 0.69 -0.59 4.15 3.45 -1.64 -0.97 116.42 121.62 1nf5 h ASP 88 Ca -0.03 -0.08 -0.03 0.00 0.43 0.00 0.00 57.03 57.32 1nf5 h ASP 88 Cb 1.35 -0.18 -0.03 0.00 -0.56 0.00 0.00 39.33 39.92 1nf5 h ASP 88 CO 0.12 0.58 0.24 0.40 -1.57 0.00 0.00 179.24 179.01 1nf5 h ILE 89 N 0.75 1.23 -0.85 0.35 2.04 -0.93 0.95 117.51 121.06 1nf5 h ILE 89 Ca 0.20 -0.69 -0.00 0.00 1.00 0.00 0.00 64.86 65.36 1nf5 h ILE 89 Cb 0.03 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 36.64 1nf5 h ILE 89 CO -0.03 0.27 0.52 0.00 0.00 0.00 0.00 178.15 178.91 1nf5 h ALA 90 N 1.09 1.32 -0.32 1.87 0.00 -0.75 -0.35 119.26 122.11 1nf5 h ALA 90 Ca 0.20 -0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 1nf5 h ALA 90 Cb 0.19 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1nf5 h ALA 90 CO -0.02 0.59 -0.48 0.00 0.00 0.00 0.00 179.25 179.35 1nf5 h ALA 92 N 0.71 1.54 -0.34 0.00 0.00 -0.08 -1.57 119.26 119.52 1nf5 h ALA 92 Ca 0.03 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1nf5 h ALA 92 Cb 1.09 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1nf5 h ALA 92 CO 0.11 0.41 -0.18 0.87 0.00 0.00 0.00 179.25 180.46 1nf5 h LYS 93 N 0.90 0.62 -0.65 0.00 1.57 -0.93 0.08 116.57 118.16 1nf5 h LYS 93 Ca 0.26 -0.22 -0.09 0.00 -1.87 0.00 0.00 60.65 58.73 1nf5 h LYS 93 Cb -0.05 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1nf5 h LYS 93 CO -0.06 0.77 0.06 0.87 -0.57 0.00 0.00 179.45 180.53 1nf5 h LYS 94 N 0.56 1.10 -0.56 3.15 1.57 -1.11 -0.68 116.57 120.60 1nf5 h LYS 94 Ca 0.09 -0.32 -0.03 0.00 -1.87 0.00 0.00 60.65 58.52 1nf5 h LYS 94 Cb 0.63 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 1nf5 h LYS 94 CO 0.04 1.03 0.22 0.82 -0.57 0.00 0.00 179.45 181.00 1nf5 h ILE 95 N 1.02 1.22 -0.78 1.86 2.04 -0.83 -1.30 117.51 120.74 1nf5 h ILE 95 Ca 0.19 -0.70 -0.03 0.00 1.00 0.00 0.00 64.86 65.33 1nf5 h ILE 95 Cb 0.49 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 1nf5 h ILE 95 CO 0.02 0.27 0.38 -0.07 0.00 0.00 0.00 178.15 178.75 1nf5 h LEU 96 N 0.78 1.00 -0.57 1.44 3.38 -0.63 0.19 115.31 120.89 1nf5 h LEU 96 Ca 0.19 -0.11 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 1nf5 h LEU 96 Cb 0.20 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1nf5 h LEU 96 CO -0.02 0.84 -0.62 0.00 0.09 0.00 0.00 178.44 178.74 1nf5 h ALA 97 N 1.31 0.76 0.00 1.53 0.00 -0.84 -2.56 119.26 119.46 1nf5 h ALA 97 Ca 0.27 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1nf5 h ALA 97 Cb 0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1nf5 h ALA 97 CO -0.04 0.73 -0.67 -0.89 0.00 0.00 0.00 179.25 178.39 1nf5 n ILE 98 N -3.88 1.44 -0.03 0.00 5.41 -0.51 -4.74 119.36 117.05 1nf5 n ILE 98 Ca -0.03 0.17 -0.16 0.00 1.00 0.00 0.00 62.75 63.73 1nf5 n ILE 98 Cb 0.63 -2.34 -0.14 0.00 -0.71 0.00 0.00 39.64 37.08 1nf5 n ILE 98 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1nf5 n LYS 99 N -4.58 0.70 0.00 0.38 4.81 0.49 -5.09 118.16 114.87 1nf5 n LYS 99 Ca -0.11 0.24 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 1nf5 n LYS 99 Cb 0.34 -1.70 0.00 0.00 0.02 0.00 0.00 35.03 33.69 1nf5 n LYS 99 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1nf5 n GLY 100 N 1.87 0.88 0.38 3.14 0.00 -0.21 -4.65 105.19 106.60 1nf5 n GLY 100 Ca -0.29 -2.02 0.20 0.00 0.00 0.00 0.00 46.02 43.91 1nf5 n GLY 100 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1nf5 h ILE 101 N 0.00 0.72 0.00 -0.61 6.09 -1.87 -2.30 117.51 119.54 1nf5 h ILE 101 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1nf5 h ILE 101 Cb 0.00 0.74 0.00 0.00 0.47 0.00 0.00 36.82 38.03 1nf5 h ILE 101 CO 0.00 0.00 0.00 0.47 -3.07 0.00 0.00 178.15 175.55 1nf5 n ASP 102 N -4.33 0.00 -0.19 2.19 10.43 -1.26 -0.62 116.55 122.77 1nf5 n ASP 102 Ca 0.09 -0.35 -0.05 0.00 2.57 0.00 0.00 54.79 57.05 1nf5 n ASP 102 Cb 0.59 0.00 0.12 0.00 1.84 0.00 0.00 41.12 43.67 1nf5 n ASP 102 CO 0.00 0.00 0.00 0.22 -1.07 0.00 0.00 177.20 176.35 1nf5 h TYR 103 N 0.00 1.02 -2.63 1.24 3.20 -1.70 -3.36 116.97 114.74 1nf5 h TYR 103 Ca 0.00 -0.11 -0.59 0.00 3.14 0.00 0.00 58.73 61.18 1nf5 h TYR 103 Cb 0.00 -0.29 -0.11 0.00 1.54 0.00 0.00 36.73 37.87 1nf5 h TYR 103 CO 0.00 0.84 0.78 -1.58 -1.64 0.00 0.00 178.16 176.56 1nf5 s TRP 104 N -5.26 2.52 0.64 -3.82 0.51 0.21 -4.88 118.94 108.87 1nf5 s TRP 104 Ca -0.11 -0.22 0.40 0.00 -2.12 0.00 0.00 56.10 54.04 1nf5 s TRP 104 Cb 0.15 -4.42 2.22 0.00 -0.81 0.00 0.00 33.47 30.61 1nf5 s TRP 104 CO 0.82 -1.79 2.33 0.87 -0.51 0.00 0.00 176.95 178.67 1nf5 h LYS 105 N 9.73 0.00 0.00 4.98 1.57 -1.84 -2.23 116.57 128.78 1nf5 h LYS 105 Ca -0.28 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.44 1nf5 h LYS 105 Cb 1.06 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 1nf5 h LYS 105 CO 1.21 0.00 -0.31 0.00 -0.57 0.00 0.00 179.45 179.79 1nf5 h ALA 106 N 1.98 0.98 -0.06 3.86 0.00 -1.91 -3.37 119.26 120.74 1nf5 h ALA 106 Ca 0.00 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.67 1nf5 h ALA 106 Cb 0.02 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 1nf5 h ALA 106 CO -0.00 0.38 -0.31 -0.92 0.00 0.00 0.00 179.25 178.41 1nf5 h TYR 107 N 0.00 -0.84 0.29 0.00 3.20 -1.73 -0.80 116.97 117.09 1nf5 h TYR 107 Ca -0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 1nf5 h TYR 107 Cb 0.86 0.38 0.00 0.00 1.54 0.00 0.00 36.73 39.52 1nf5 h TYR 107 CO 0.00 -0.39 -0.14 -0.22 -1.64 0.00 0.00 178.16 175.77 1nf5 h LYS 108 N -0.42 -0.38 0.00 1.82 3.64 -1.80 0.69 116.57 120.12 1nf5 h LYS 108 Ca 0.08 0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.39 1nf5 h LYS 108 Cb 0.54 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 1nf5 h LYS 108 CO -0.30 -0.09 -0.43 -1.00 -2.27 0.00 0.00 179.45 175.35 1nf5 h PRO 109 N -0.66 0.00 0.00 1.90 0.13 -1.76 -3.31 132.00 128.30 1nf5 h PRO 109 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1nf5 h PRO 109 Cb 0.46 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.59 1nf5 h PRO 109 CO 0.07 0.43 -1.61 -1.33 -0.23 0.00 0.00 178.00 175.33 1nf5 n MET 110 N -3.51 0.41 -1.48 0.86 2.81 -0.31 -4.70 117.12 111.20 1nf5 n MET 110 Ca -0.00 -0.12 -0.04 0.00 -1.81 0.00 0.00 57.70 55.73 1nf5 n MET 110 Cb 0.56 -1.32 0.10 0.00 -0.71 0.00 0.00 33.22 31.85 1nf5 n MET 110 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1nf5 n SER 112 N -0.65 1.60 -3.59 0.00 7.64 -1.23 -4.89 113.62 112.49 1nf5 n SER 112 Ca 0.23 -1.27 -0.08 0.00 1.01 0.00 0.00 58.87 58.76 1nf5 n SER 112 Cb 0.87 0.24 -0.01 0.00 -1.01 0.00 0.00 64.21 64.29 1nf5 n SER 112 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1nf5 s GLU 113 N -2.40 1.89 -1.17 1.43 -1.05 -1.26 -5.02 118.70 111.12 1nf5 s GLU 113 Ca 0.24 -1.19 -0.17 0.00 -0.15 0.00 0.00 54.97 53.71 1nf5 s GLU 113 Cb 0.19 0.59 -0.01 0.00 -0.44 0.00 0.00 34.13 34.46 1nf5 s GLU 113 CO 0.50 -0.86 0.76 1.63 0.95 0.00 0.00 175.26 178.24 1nf5 n LYS 114 N -0.47 -1.73 0.09 -4.83 5.02 -1.26 -4.92 118.16 110.06 1nf5 n LYS 114 Ca -0.05 0.48 0.10 0.00 -2.02 0.00 0.00 58.31 56.82 1nf5 n LYS 114 Cb 0.60 -4.31 -0.01 0.00 -0.02 0.00 0.00 35.03 31.28 1nf5 n LYS 114 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1nf5 n LEU 115 N -4.17 0.84 -0.29 -0.35 4.77 -1.26 -4.20 117.00 112.33 1nf5 n LEU 115 Ca -0.13 0.33 -0.04 0.00 -0.03 0.00 0.00 56.01 56.15 1nf5 n LEU 115 Cb 0.61 -0.04 0.11 0.00 -2.33 0.00 0.00 43.42 41.77 1nf5 n LEU 115 CO 0.68 -0.14 1.13 -0.33 -1.33 0.00 0.00 177.39 177.40 1nf5 h GLU 116 N 0.00 1.18 -0.10 3.23 4.39 -1.96 -1.53 114.58 119.80 1nf5 h GLU 116 Ca -0.02 -0.16 0.03 0.00 0.34 0.00 0.00 59.36 59.55 1nf5 h GLU 116 Cb 1.08 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 29.51 1nf5 h GLU 116 CO 0.01 0.89 0.16 -0.56 -1.16 0.00 0.00 179.01 178.35 1nf5 h GLN 117 N 1.18 0.00 -0.19 2.33 3.07 -1.99 -0.93 115.11 118.58 1nf5 h GLN 117 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.03 1nf5 h GLN 117 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.65 1nf5 h GLN 117 CO -0.04 0.00 0.00 0.91 0.09 0.00 0.00 178.83 179.79 1nf5 n TRP 118 N -3.52 0.25 -2.83 0.06 7.02 -0.57 -4.86 117.44 112.99 1nf5 n TRP 118 Ca -0.00 -0.12 -0.41 0.00 -1.02 0.00 0.00 57.50 55.94 1nf5 n TRP 118 Cb 0.26 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.10 1nf5 n TRP 118 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 1nf5 s ARG 119 N -1.75 4.57 -0.17 -0.99 3.52 -0.36 -4.72 118.95 119.06 1nf5 s ARG 119 Ca 0.16 1.27 -0.29 0.00 -0.13 0.00 0.00 55.73 56.74 1nf5 s ARG 119 Cb 0.08 -3.41 -0.03 0.00 -1.56 0.00 0.00 34.95 30.04 1nf5 s ARG 119 CO 0.12 0.14 1.46 0.00 -0.81 0.00 0.00 175.30 176.20 1nf5 h GLU 121 N 9.33 0.20 -5.14 0.00 4.39 -1.95 -3.42 114.58 117.99 1nf5 h GLU 121 Ca -0.31 -0.16 -0.41 0.00 0.34 0.00 0.00 59.36 58.81 1nf5 h GLU 121 Cb 1.13 0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 29.74 1nf5 h GLU 121 CO 0.98 0.79 1.65 1.63 -1.16 0.00 0.00 179.01 182.91 1nf5 n LYS 122 N -3.82 0.23 0.00 2.33 4.76 -1.26 -5.23 118.16 115.17 1nf5 n LYS 122 Ca -0.02 -0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.34 1nf5 n LYS 122 Cb 0.66 -1.92 0.00 0.00 -1.84 0.00 0.00 35.03 31.93 1nf5 n LYS 122 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73