#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 0.69 -2.82 2.02 -1.26 -0.71 118.70 119.98 1nf5 s GLU 2 Ca 0.00 -0.25 -0.05 0.00 0.02 0.00 0.00 54.97 54.69 1nf5 s GLU 2 Cb 0.00 -3.93 0.07 0.00 0.10 0.00 0.00 34.13 30.37 1nf5 s GLU 2 CO 0.00 -1.01 0.98 -0.51 0.02 0.00 0.00 175.26 174.75 1nf5 s LEU 3 N 2.93 2.91 0.35 1.80 1.43 0.14 -4.95 118.68 123.29 1nf5 s LEU 3 Ca 0.25 0.29 0.03 0.00 -1.03 0.00 0.00 54.13 53.66 1nf5 s LEU 3 Cb -0.14 -2.92 -0.02 0.00 0.03 0.00 0.00 46.19 43.15 1nf5 s LEU 3 CO 0.19 -1.60 0.53 0.42 0.23 0.00 0.00 176.35 176.13 1nf5 s THR 4 N -3.18 4.61 0.24 5.49 -4.23 -1.26 -4.78 115.64 112.53 1nf5 s THR 4 Ca 0.61 -0.68 -0.04 0.00 -1.18 0.00 0.00 61.69 60.40 1nf5 s THR 4 Cb -0.10 -3.66 0.21 0.00 1.34 0.00 0.00 72.50 70.29 1nf5 s THR 4 CO 0.44 -0.37 1.75 0.50 -0.54 0.00 0.00 174.62 176.40 1nf5 h LYS 5 N 0.76 0.52 -0.36 3.99 3.64 -1.98 -0.82 116.57 122.32 1nf5 h LYS 5 Ca -0.48 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 58.73 1nf5 h LYS 5 Cb 1.24 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 1nf5 h LYS 5 CO 0.58 0.35 -0.31 0.00 -2.27 0.00 0.00 179.45 177.80 1nf5 h LYS 7 N 0.66 -0.39 -0.06 0.00 1.57 -1.69 -0.64 116.57 116.00 1nf5 h LYS 7 Ca 0.07 0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.92 1nf5 h LYS 7 Cb 0.84 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.20 1nf5 h LYS 7 CO 0.07 -0.26 -0.18 0.28 -0.57 0.00 0.00 179.45 178.79 1nf5 h VAL 8 N -0.41 0.55 -0.62 0.50 2.07 -1.11 0.27 116.25 117.49 1nf5 h VAL 8 Ca -0.02 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.56 1nf5 h VAL 8 Cb 0.34 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 30.60 1nf5 h VAL 8 CO 0.02 0.00 0.32 0.28 0.02 0.00 0.00 177.57 178.21 1nf5 h SER 9 N -0.26 0.44 -0.33 0.57 0.02 -0.48 -1.17 113.55 112.34 1nf5 h SER 9 Ca 0.08 0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 61.02 1nf5 h SER 9 Cb 0.37 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 1nf5 h SER 9 CO -0.22 0.29 0.04 0.45 -1.14 0.00 0.00 176.83 176.25 1nf5 h HIS 10 N 0.59 0.60 -0.02 3.45 3.86 -0.80 -2.79 115.15 120.05 1nf5 h HIS 10 Ca 0.29 -0.09 -0.03 0.00 -1.16 0.00 0.00 60.37 59.38 1nf5 h HIS 10 Cb 0.22 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 28.52 1nf5 h HIS 10 CO -0.10 0.65 -0.13 0.00 0.86 0.00 0.00 177.93 179.20 1nf5 h ALA 11 N 0.88 1.75 -0.39 2.45 0.00 -0.46 -2.99 119.26 120.50 1nf5 h ALA 11 Ca 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1nf5 h ALA 11 Cb 0.38 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1nf5 h ALA 11 CO 0.01 0.19 0.00 0.44 0.00 0.00 0.00 179.25 179.89 1nf5 n ILE 12 N -4.37 1.98 -0.35 0.00 -5.35 -0.49 -4.68 119.36 106.11 1nf5 n ILE 12 Ca -0.02 -1.51 0.25 0.00 -0.27 0.00 0.00 62.75 61.20 1nf5 n ILE 12 Cb 0.21 -0.02 0.52 0.00 -1.74 0.00 0.00 39.64 38.61 1nf5 n ILE 12 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1nf5 h LYS 13 N 2.52 0.33 -0.16 6.28 3.64 -1.34 0.87 116.57 128.70 1nf5 h LYS 13 Ca 0.00 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.41 1nf5 h LYS 13 Cb 1.35 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.09 1nf5 h LYS 13 CO 0.21 0.22 0.15 0.22 -2.27 0.00 0.00 179.45 177.97 1nf5 h ASP 14 N 0.34 0.00 1.16 4.20 1.82 -1.86 -1.70 116.42 120.38 1nf5 h ASP 14 Ca 0.66 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.30 1nf5 h ASP 14 Cb 1.73 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.74 1nf5 h ASP 14 CO -0.37 0.00 -0.14 0.00 -1.61 0.00 0.00 179.24 177.12 1nf5 n ILE 15 N -4.03 0.34 -1.67 2.25 3.06 0.30 -4.83 119.36 114.78 1nf5 n ILE 15 Ca 0.01 -0.18 -0.47 0.00 -2.50 0.00 0.00 62.75 59.61 1nf5 n ILE 15 Cb 0.27 -0.42 -0.05 0.00 0.54 0.00 0.00 39.64 39.99 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 -1.96 3.08 0.00 9.51 2.03 -0.64 -0.90 116.55 127.67 1nf5 n ASP 16 Ca 0.06 1.05 0.00 0.00 0.52 0.00 0.00 54.79 56.42 1nf5 n ASP 16 Cb 0.40 -1.39 0.00 0.00 -0.72 0.00 0.00 41.12 39.41 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 3.66 2.92 3.70 0.27 0.00 0.42 -4.96 105.19 111.21 1nf5 n GLY 17 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1nf5 n GLY 17 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1nf5 s TYR 18 N -2.76 2.65 -2.02 1.61 5.04 -0.08 -1.11 117.35 120.69 1nf5 s TYR 18 Ca 0.00 0.40 0.00 0.00 -2.44 0.00 0.00 57.07 55.03 1nf5 s TYR 18 Cb 0.00 -3.98 0.00 0.00 0.35 0.00 0.00 41.96 38.33 1nf5 s TYR 18 CO 0.00 -3.84 0.00 0.94 -1.34 0.00 0.00 175.55 171.31 1nf5 n GLN 19 N 4.92 -1.33 -1.03 4.97 -0.06 -1.26 -2.03 117.38 121.56 1nf5 n GLN 19 Ca 0.15 1.17 -0.01 0.00 -2.00 0.00 0.00 57.00 56.31 1nf5 n GLN 19 Cb 0.39 -5.48 -0.00 0.00 -4.06 0.00 0.00 30.24 21.09 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 -0.63 0.49 3.57 1.69 0.00 -0.26 -5.03 105.19 105.01 1nf5 n GLY 20 Ca -0.19 -0.65 -0.36 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.01 4.74 0.74 -0.61 -1.09 -0.86 -4.92 121.20 117.19 1nf5 s ILE 21 Ca 0.00 -0.04 -0.12 0.00 -2.23 0.00 0.00 60.65 58.27 1nf5 s ILE 21 Cb 0.00 -3.18 0.04 0.00 -1.58 0.00 0.00 42.46 37.74 1nf5 s ILE 21 CO 0.00 0.39 1.13 -0.94 -1.23 0.00 0.00 174.94 174.29 1nf5 s SER 22 N 0.97 5.09 0.37 3.58 1.04 -1.26 -0.44 113.70 123.06 1nf5 s SER 22 Ca 0.05 0.99 0.13 0.00 0.48 0.00 0.00 55.95 57.60 1nf5 s SER 22 Cb -0.14 -1.68 0.73 0.00 0.10 0.00 0.00 66.02 65.03 1nf5 s SER 22 CO 0.03 -1.55 1.83 0.25 0.98 0.00 0.00 173.24 174.78 1nf5 h LEU 23 N -0.80 0.00 -0.46 2.42 7.12 -1.93 -1.91 115.31 119.75 1nf5 h LEU 23 Ca -0.45 0.00 -0.07 0.00 0.13 0.00 0.00 57.88 57.49 1nf5 h LEU 23 Cb 1.28 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.40 1nf5 h LEU 23 CO 0.65 0.37 0.01 -0.07 -0.13 0.00 0.00 178.44 179.26 1nf5 h LEU 24 N 0.00 0.79 -0.67 2.25 3.38 -1.92 0.43 115.31 119.57 1nf5 h LEU 24 Ca -0.00 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.59 1nf5 h LEU 24 Cb 0.65 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1nf5 h LEU 24 CO 0.05 0.90 0.13 -0.33 0.09 0.00 0.00 178.44 179.28 1nf5 h GLU 25 N 0.66 1.10 -0.24 1.13 5.08 -1.81 -1.81 114.58 118.69 1nf5 h GLU 25 Ca 0.13 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 1nf5 h GLU 25 Cb 0.49 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1nf5 h GLU 25 CO 0.02 0.99 0.03 -1.49 -1.00 0.00 0.00 179.01 177.57 1nf5 h TRP 26 N 1.02 0.42 -0.90 4.33 4.06 -1.07 0.23 115.95 124.04 1nf5 h TRP 26 Ca 0.21 -0.06 0.10 0.00 2.06 0.00 0.00 58.89 61.19 1nf5 h TRP 26 Cb 0.42 -0.11 -0.08 0.00 -1.00 0.00 0.00 29.16 28.39 1nf5 h TRP 26 CO 0.03 0.52 0.54 0.00 -3.56 0.00 0.00 178.44 175.97 1nf5 h ALA 27 N 0.84 1.30 0.35 1.49 0.00 -0.80 0.44 119.26 122.89 1nf5 h ALA 27 Ca 0.07 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1nf5 h ALA 27 Cb 0.33 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1nf5 h ALA 27 CO 0.01 0.18 -0.17 0.00 0.00 0.00 0.00 179.25 179.27 1nf5 h VAL 29 N -0.67 0.78 -0.38 0.00 2.07 0.18 -2.52 116.25 115.71 1nf5 h VAL 29 Ca -0.05 -0.04 -0.05 0.00 0.82 0.00 0.00 66.70 67.39 1nf5 h VAL 29 Cb 0.48 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1nf5 h VAL 29 CO 0.08 0.02 0.03 -0.07 0.02 0.00 0.00 177.57 177.65 1nf5 h LEU 30 N 0.10 0.55 -0.29 2.57 3.38 -0.17 -0.45 115.31 121.00 1nf5 h LEU 30 Ca 0.15 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1nf5 h LEU 30 Cb 0.20 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1nf5 h LEU 30 CO -0.25 0.60 0.19 0.15 0.09 0.00 0.00 178.44 179.22 1nf5 h PHE 31 N 0.57 0.37 0.00 1.13 3.57 -0.99 -1.14 116.94 120.45 1nf5 h PHE 31 Ca 0.12 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1nf5 h PHE 31 Cb 0.32 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.94 1nf5 h PHE 31 CO 0.01 0.25 0.00 0.45 -2.23 0.00 0.00 178.31 176.79 1nf5 h HIS 32 N 0.39 0.00 0.12 0.41 3.86 -1.30 0.58 115.15 119.21 1nf5 h HIS 32 Ca 0.11 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.15 1nf5 h HIS 32 Cb -0.02 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.46 1nf5 h HIS 32 CO -0.05 0.00 -0.72 1.15 0.86 0.00 0.00 177.93 179.17 1nf5 h THR 33 N 0.00 1.53 0.00 2.45 2.02 -0.72 -3.42 112.91 114.76 1nf5 h THR 33 Ca 0.00 -2.47 0.00 0.00 0.77 0.00 0.00 66.41 64.71 1nf5 h THR 33 Cb 0.90 3.16 0.00 0.00 -1.74 0.00 0.00 68.15 70.46 1nf5 h THR 33 CO 0.00 0.70 0.00 -1.54 0.37 0.00 0.00 175.52 175.05 1nf5 n SER 34 N -4.18 0.13 -1.22 4.18 3.41 -0.46 -4.90 113.62 110.58 1nf5 n SER 34 Ca -0.13 -1.02 -0.14 0.00 -0.26 0.00 0.00 58.87 57.32 1nf5 n SER 34 Cb 0.78 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.68 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 -0.01 1.08 2.38 5.00 0.00 0.20 -2.02 105.19 111.82 1nf5 n GLY 35 Ca 0.00 -0.34 -0.14 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.93 -0.17 -3.14 1.61 4.01 -1.24 -4.66 117.16 110.65 1nf5 n TYR 36 Ca -0.15 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.16 1nf5 n TYR 36 Cb 0.51 -2.67 -0.07 0.00 -0.31 0.00 0.00 39.34 36.80 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 -2.73 6.28 0.00 7.72 -1.08 -0.86 0.28 116.67 126.28 1nf5 s ASP 37 Ca 0.00 -0.55 0.07 0.00 -0.52 0.00 0.00 52.55 51.55 1nf5 s ASP 37 Cb 0.00 -2.30 0.32 0.00 -1.46 0.00 0.00 42.92 39.47 1nf5 s ASP 37 CO 0.00 -0.81 1.19 0.35 0.52 0.00 0.00 175.17 176.43 1nf5 n THR 38 N 5.75 1.36 -0.34 1.71 -2.24 0.12 -1.64 114.28 119.00 1nf5 n THR 38 Ca -0.04 0.34 0.06 0.00 -2.27 0.00 0.00 64.05 62.14 1nf5 n THR 38 Cb 0.47 -1.22 0.16 0.00 -2.10 0.00 0.00 70.33 67.64 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 -1.45 2.86 -1.72 -0.78 6.02 -1.26 -3.82 117.38 117.23 1nf5 n GLN 39 Ca 0.02 -2.16 -0.43 0.00 -0.01 0.00 0.00 57.00 54.42 1nf5 n GLN 39 Cb 0.08 -1.36 -0.02 0.00 1.02 0.00 0.00 30.24 29.96 1nf5 n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1nf5 n ALA 40 N 0.17 2.14 -3.83 -1.58 0.00 -0.65 -4.72 120.51 112.04 1nf5 n ALA 40 Ca 0.12 0.39 -0.25 0.00 0.00 0.00 0.00 53.44 53.70 1nf5 n ALA 40 Cb 0.50 -2.42 -0.17 0.00 0.00 0.00 0.00 19.45 17.37 1nf5 n ALA 40 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1nf5 s VAL 41 N 0.18 0.71 0.03 0.00 1.01 -1.26 0.14 120.40 121.21 1nf5 s VAL 41 Ca 0.67 -0.18 0.05 0.00 0.00 0.00 0.00 61.98 62.52 1nf5 s VAL 41 Cb -0.55 -0.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 1nf5 s VAL 41 CO 0.46 0.23 -0.16 -0.69 0.00 0.00 0.00 175.10 174.95 1nf5 s VAL 42 N 1.83 1.25 0.13 2.92 1.01 -0.42 -4.97 120.40 122.15 1nf5 s VAL 42 Ca 0.04 -0.98 -0.06 0.00 0.00 0.00 0.00 61.98 60.98 1nf5 s VAL 42 Cb -0.13 -1.10 -0.06 0.00 0.00 0.00 0.00 36.38 35.09 1nf5 s VAL 42 CO -0.07 0.11 0.39 0.21 0.00 0.00 0.00 175.10 175.74 1nf5 s ASN 43 N -1.01 6.52 -0.28 3.32 3.84 -1.26 -0.57 114.94 125.51 1nf5 s ASN 43 Ca 0.04 0.64 0.00 0.00 0.21 0.00 0.00 52.86 53.76 1nf5 s ASN 43 Cb -0.08 -2.11 0.15 0.00 -0.55 0.00 0.00 41.25 38.66 1nf5 s ASN 43 CO 0.01 0.07 0.37 -0.62 -2.79 0.00 0.00 177.10 174.14 1nf5 s ASP 44 N -2.29 0.73 -0.28 -4.21 -1.08 0.22 -4.93 116.67 104.82 1nf5 s ASP 44 Ca 0.40 -0.38 -0.16 0.00 -0.52 0.00 0.00 52.55 51.89 1nf5 s ASP 44 Cb -0.12 0.93 0.02 0.00 -1.46 0.00 0.00 42.92 42.29 1nf5 s ASP 44 CO 0.23 -0.35 0.34 -0.46 0.52 0.00 0.00 175.17 175.45 1nf5 n ASN 45 N 5.34 -2.76 0.00 -0.34 2.04 -1.26 0.43 115.26 118.72 1nf5 n ASN 45 Ca -0.01 -0.19 0.00 0.00 -0.44 0.00 0.00 54.58 53.94 1nf5 n ASN 45 Cb 0.49 -0.83 0.00 0.00 -2.53 0.00 0.00 39.78 36.91 1nf5 n ASN 45 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1nf5 n GLY 46 N -0.34 2.39 3.64 4.83 0.00 -1.26 -4.96 105.19 109.49 1nf5 n GLY 46 Ca -0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 1nf5 n GLY 46 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nf5 s SER 47 N -2.79 4.30 -0.04 1.61 0.01 0.17 -5.04 113.70 111.93 1nf5 s SER 47 Ca 0.00 -0.88 0.04 0.00 1.31 0.00 0.00 55.95 56.42 1nf5 s SER 47 Cb 0.00 -0.62 -0.00 0.00 0.21 0.00 0.00 66.02 65.61 1nf5 s SER 47 CO 0.00 -0.17 -0.15 -0.89 0.41 0.00 0.00 173.24 172.44 1nf5 s THR 48 N -2.46 1.23 -0.09 1.44 2.01 -1.26 -0.61 115.64 115.91 1nf5 s THR 48 Ca 0.34 -0.61 0.01 0.00 0.31 0.00 0.00 61.69 61.74 1nf5 s THR 48 Cb -0.02 -1.07 -0.02 0.00 0.01 0.00 0.00 72.50 71.39 1nf5 s THR 48 CO 0.20 0.36 -0.11 -1.61 -0.69 0.00 0.00 174.62 172.77 1nf5 s GLU 49 N 0.09 2.94 -0.06 4.92 2.02 0.26 -1.14 118.70 127.73 1nf5 s GLU 49 Ca -0.04 -0.65 0.04 0.00 0.02 0.00 0.00 54.97 54.35 1nf5 s GLU 49 Cb -0.11 -2.55 -0.02 0.00 0.10 0.00 0.00 34.13 31.55 1nf5 s GLU 49 CO 0.02 0.47 -0.17 0.71 0.02 0.00 0.00 175.26 176.31 1nf5 s TYR 50 N -0.31 2.65 0.00 1.61 1.51 0.61 -1.30 117.35 122.13 1nf5 s TYR 50 Ca 0.03 -0.34 0.00 0.00 -1.01 0.00 0.00 57.07 55.75 1nf5 s TYR 50 Cb -0.13 -1.65 0.00 0.00 -0.11 0.00 0.00 41.96 40.07 1nf5 s TYR 50 CO 0.03 0.05 0.00 0.41 -1.11 0.00 0.00 175.55 174.92 1nf5 n GLY 51 N 2.61 -1.36 0.27 0.71 0.00 0.12 -1.76 105.19 105.78 1nf5 n GLY 51 Ca -0.17 -1.21 0.06 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.19 -0.36 0.99 5.85 -1.71 -1.50 115.31 118.40 1nf5 h LEU 52 Ca 0.00 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1nf5 h LEU 52 Cb 0.00 0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.31 1nf5 h LEU 52 CO 0.00 -0.12 -0.28 0.49 -0.34 0.00 0.00 178.44 178.19 1nf5 n PHE 53 N -5.26 0.00 -3.69 1.25 3.72 -1.26 -4.28 117.46 107.94 1nf5 n PHE 53 Ca 0.14 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.23 1nf5 n PHE 53 Cb 0.48 -0.16 0.04 0.00 -0.94 0.00 0.00 39.48 38.90 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 -0.86 -1.47 -2.71 -1.08 1.13 -0.56 -4.92 117.38 106.90 1nf5 n GLN 54 Ca 0.11 0.46 -0.42 0.00 -1.94 0.00 0.00 57.00 55.21 1nf5 n GLN 54 Cb 0.34 -4.21 -0.03 0.00 0.11 0.00 0.00 30.24 26.45 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 -3.50 4.84 0.15 5.09 1.01 -0.73 -4.47 121.20 123.59 1nf5 s ILE 55 Ca 0.43 2.02 -0.22 0.00 0.00 0.00 0.00 60.65 62.89 1nf5 s ILE 55 Cb -0.15 -4.30 -0.08 0.00 0.01 0.00 0.00 42.46 37.94 1nf5 s ILE 55 CO 0.86 0.09 0.68 -0.55 0.00 0.00 0.00 174.94 176.02 1nf5 s SER 56 N 1.05 7.18 0.00 3.58 0.15 -1.26 -0.28 113.70 124.12 1nf5 s SER 56 Ca 0.50 1.44 0.28 0.00 0.70 0.00 0.00 55.95 58.86 1nf5 s SER 56 Cb -0.20 -2.43 1.45 0.00 -1.71 0.00 0.00 66.02 63.14 1nf5 s SER 56 CO 0.23 0.19 1.96 -0.90 1.20 0.00 0.00 173.24 175.92 1nf5 n ASP 57 N 1.41 0.00 -0.23 5.45 5.75 -0.29 -1.77 116.55 126.88 1nf5 n ASP 57 Ca -0.07 -0.26 -0.07 0.00 -0.01 0.00 0.00 54.79 54.38 1nf5 n ASP 57 Cb 0.50 -0.23 0.04 0.00 -1.03 0.00 0.00 41.12 40.40 1nf5 n ASP 57 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 1nf5 h ARG 58 N 0.00 0.94 0.00 0.11 9.65 -1.82 -3.41 114.38 119.85 1nf5 h ARG 58 Ca 0.00 -0.17 0.00 0.00 -1.10 0.00 0.00 59.98 58.71 1nf5 h ARG 58 Cb 0.21 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 28.63 1nf5 h ARG 58 CO 0.00 0.79 -0.30 1.19 2.80 0.00 0.00 179.97 184.45 1nf5 n PHE 59 N -4.44 0.00 -0.04 2.20 3.72 -1.22 -4.34 117.46 113.33 1nf5 n PHE 59 Ca 0.04 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.29 1nf5 n PHE 59 Cb 0.16 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.56 1nf5 n PHE 59 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 176.76 177.62 1nf5 n TRP 60 N -0.84 0.81 -4.24 1.38 7.02 -0.73 -1.27 117.44 119.57 1nf5 n TRP 60 Ca 0.00 0.22 -0.13 0.00 -1.02 0.00 0.00 57.50 56.57 1nf5 n TRP 60 Cb 0.12 -1.12 -0.10 0.00 -2.42 0.00 0.00 31.31 27.78 1nf5 n TRP 60 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1nf5 s LYS 62 N -3.84 4.04 0.42 0.00 2.20 0.02 -4.44 119.74 118.14 1nf5 s LYS 62 Ca 0.19 0.14 0.07 0.00 -0.36 0.00 0.00 55.97 56.01 1nf5 s LYS 62 Cb 0.05 -3.65 -0.05 0.00 -1.51 0.00 0.00 37.83 32.67 1nf5 s LYS 62 CO 0.01 -0.29 0.19 -1.54 -0.36 0.00 0.00 175.35 173.36 1nf5 s SER 63 N 1.59 4.44 0.19 1.43 1.04 -1.24 -0.68 113.70 120.47 1nf5 s SER 63 Ca 0.17 -1.09 0.12 0.00 0.48 0.00 0.00 55.95 55.62 1nf5 s SER 63 Cb -0.16 -0.42 -0.07 0.00 0.10 0.00 0.00 66.02 65.48 1nf5 s SER 63 CO 0.10 -0.58 1.32 0.77 0.98 0.00 0.00 173.24 175.83 1nf5 h SER 64 N 1.39 0.00 1.27 7.02 4.64 -1.98 -2.68 113.55 123.20 1nf5 h SER 64 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1nf5 h SER 64 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1nf5 h SER 64 CO 0.69 0.73 0.00 -0.62 -0.87 0.00 0.00 176.83 176.76 1nf5 n GLU 65 N -3.25 0.23 -3.03 4.77 1.02 -1.26 -4.10 120.64 115.02 1nf5 n GLU 65 Ca -0.00 0.25 -0.17 0.00 -0.02 0.00 0.00 57.16 57.22 1nf5 n GLU 65 Cb 0.84 -1.80 -0.03 0.00 -0.02 0.00 0.00 31.44 30.43 1nf5 n GLU 65 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1nf5 n PHE 66 N -2.21 -1.70 0.37 -0.32 7.35 -1.20 -4.98 117.46 114.76 1nf5 n PHE 66 Ca 0.05 -2.76 0.13 0.00 -0.76 0.00 0.00 57.45 54.11 1nf5 n PHE 66 Cb 0.38 0.50 0.54 0.00 0.35 0.00 0.00 39.48 41.25 1nf5 n PHE 66 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 1nf5 h PRO 67 N 4.28 0.00 -0.39 -7.13 0.11 -1.63 -2.88 132.00 124.35 1nf5 h PRO 67 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1nf5 h PRO 67 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1nf5 h PRO 67 CO 0.37 0.00 0.00 -1.91 -0.21 0.00 0.00 178.00 176.25 1nf5 n GLU 68 N -2.43 2.06 -1.43 1.05 2.13 -1.26 -4.92 120.64 115.84 1nf5 n GLU 68 Ca 0.02 -1.64 -0.37 0.00 0.66 0.00 0.00 57.16 55.83 1nf5 n GLU 68 Cb 0.24 -1.39 0.06 0.00 0.27 0.00 0.00 31.44 30.62 1nf5 n GLU 68 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1nf5 n SER 69 N 0.83 -0.22 0.27 4.31 2.88 -1.09 -4.85 113.62 115.75 1nf5 n SER 69 Ca 0.16 0.70 0.11 0.00 -1.33 0.00 0.00 58.87 58.51 1nf5 n SER 69 Cb 0.41 -1.30 0.74 0.00 -0.75 0.00 0.00 64.21 63.30 1nf5 n SER 69 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1nf5 h GLU 70 N 0.01 0.00 -6.32 -1.46 3.07 -1.76 -3.46 114.58 104.66 1nf5 h GLU 70 Ca -0.47 0.00 -0.47 0.00 -0.50 0.00 0.00 59.36 57.92 1nf5 h GLU 70 Cb 1.36 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.25 1nf5 h GLU 70 CO 0.47 0.04 -0.84 -1.71 -1.40 0.00 0.00 179.01 175.57 1nf5 n ASN 71 N -4.13 -1.61 -0.26 1.42 4.05 -0.86 -4.84 115.26 109.03 1nf5 n ASN 71 Ca -0.03 -0.89 0.21 0.00 0.45 0.00 0.00 54.58 54.32 1nf5 n ASN 71 Cb 0.13 -3.57 0.53 0.00 1.23 0.00 0.00 39.78 38.09 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 -1.87 0.63 0.00 -1.44 2.04 -1.19 0.42 117.51 116.10 1nf5 h ILE 72 Ca -0.61 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.12 1nf5 h ILE 72 Cb 1.37 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 1nf5 h ILE 72 CO 0.62 0.07 0.00 0.00 0.00 0.00 0.00 178.15 178.84 1nf5 n GLY 74 N 1.15 -0.26 3.22 0.00 0.00 0.15 -4.96 105.19 104.49 1nf5 n GLY 74 Ca 0.05 0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.30 0.07 0.29 -0.61 2.07 -1.26 -5.06 121.20 113.40 1nf5 s ILE 75 Ca 0.10 -0.59 -0.28 0.00 -1.41 0.00 0.00 60.65 58.46 1nf5 s ILE 75 Cb -0.04 -0.71 -0.09 0.00 0.13 0.00 0.00 42.46 41.75 1nf5 s ILE 75 CO 0.62 -0.33 1.04 -0.55 -1.91 0.00 0.00 174.94 173.82 1nf5 s SER 76 N -1.59 7.28 0.47 4.50 0.15 -1.26 -0.80 113.70 122.45 1nf5 s SER 76 Ca -0.11 2.13 0.16 0.00 0.70 0.00 0.00 55.95 58.83 1nf5 s SER 76 Cb -0.04 -2.61 1.11 0.00 -1.71 0.00 0.00 66.02 62.77 1nf5 s SER 76 CO 0.01 -0.12 2.04 0.00 1.20 0.00 0.00 173.24 176.37 1nf5 h ASP 78 N 0.00 0.00 0.49 0.00 3.32 -1.92 0.77 116.42 119.09 1nf5 h ASP 78 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1nf5 h ASP 78 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1nf5 h ASP 78 CO 0.02 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.83 1nf5 n LYS 79 N -3.79 0.01 -0.31 3.56 4.76 -0.79 -1.98 118.16 119.61 1nf5 n LYS 79 Ca -0.03 0.27 0.10 0.00 -2.87 0.00 0.00 58.31 55.78 1nf5 n LYS 79 Cb 0.10 -1.52 0.28 0.00 -1.84 0.00 0.00 35.03 32.05 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 -1.54 3.33 -0.46 -0.35 4.77 0.26 -4.17 117.00 118.85 1nf5 n LEU 80 Ca 0.03 -1.65 0.07 0.00 -0.03 0.00 0.00 56.01 54.43 1nf5 n LEU 80 Cb 0.17 -0.41 0.18 0.00 -2.33 0.00 0.00 43.42 41.03 1nf5 n LEU 80 CO 0.13 0.83 0.50 0.18 -1.33 0.00 0.00 177.39 177.70 1nf5 n LEU 81 N 1.32 2.77 0.00 2.23 4.77 -0.84 -3.33 117.00 123.93 1nf5 n LEU 81 Ca 0.21 -3.51 -0.27 0.00 -0.03 0.00 0.00 56.01 52.40 1nf5 n LEU 81 Cb 0.53 -0.50 -0.06 0.00 -2.33 0.00 0.00 43.42 41.06 1nf5 n LEU 81 CO 0.14 1.07 -0.19 -0.90 -1.33 0.00 0.00 177.39 176.18 1nf5 n ASP 82 N -1.21 2.71 -0.57 -1.43 5.68 -1.25 -4.51 116.55 115.98 1nf5 n ASP 82 Ca 0.19 -2.96 0.08 0.00 -0.50 0.00 0.00 54.79 51.60 1nf5 n ASP 82 Cb 0.72 0.47 0.25 0.00 -1.14 0.00 0.00 41.12 41.42 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 -1.35 1.66 -4.35 -1.12 9.92 -1.26 -4.71 116.55 115.34 1nf5 n ASP 83 Ca -0.15 -1.86 -0.44 0.00 -0.53 0.00 0.00 54.79 51.81 1nf5 n ASP 83 Cb 0.56 -0.17 -0.08 0.00 -0.64 0.00 0.00 41.12 40.80 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 -1.67 2.90 0.00 -1.24 2.02 -1.26 -4.95 118.70 114.50 1nf5 s GLU 84 Ca 0.26 -1.44 0.28 0.00 0.02 0.00 0.00 54.97 54.10 1nf5 s GLU 84 Cb 0.14 -4.09 1.12 0.00 0.10 0.00 0.00 34.13 31.40 1nf5 s GLU 84 CO 0.20 -1.07 1.79 1.28 0.02 0.00 0.00 175.26 177.49 1nf5 n LEU 85 N 5.15 0.58 -0.12 1.80 4.32 -1.26 -4.30 117.00 123.18 1nf5 n LEU 85 Ca -0.12 -0.04 -0.06 0.00 -0.02 0.00 0.00 56.01 55.77 1nf5 n LEU 85 Cb 0.43 -0.17 0.02 0.00 -1.62 0.00 0.00 43.42 42.08 1nf5 n LEU 85 CO 0.47 0.11 0.95 0.44 -1.22 0.00 0.00 177.39 178.13 1nf5 h ASP 86 N 0.69 0.15 0.25 -1.43 5.19 -1.92 0.57 116.42 119.93 1nf5 h ASP 86 Ca 0.00 0.04 -0.14 0.00 -0.62 0.00 0.00 57.03 56.31 1nf5 h ASP 86 Cb 0.39 0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.92 1nf5 h ASP 86 CO 0.00 0.12 -0.53 -2.24 -3.12 0.00 0.00 179.24 173.47 1nf5 h ASP 87 N 0.30 0.34 -0.17 6.45 3.04 -1.93 -1.58 116.42 122.87 1nf5 h ASP 87 Ca 0.18 -0.18 -0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1nf5 h ASP 87 Cb 0.15 -0.10 -0.01 0.00 -1.04 0.00 0.00 39.33 38.34 1nf5 h ASP 87 CO -0.18 0.81 0.10 0.44 -2.04 0.00 0.00 179.24 178.38 1nf5 h ASP 88 N 0.24 0.21 -0.39 4.15 3.45 -1.64 -1.54 116.42 120.90 1nf5 h ASP 88 Ca 0.01 -0.06 0.03 0.00 0.43 0.00 0.00 57.03 57.43 1nf5 h ASP 88 Cb 1.02 -0.05 -0.03 0.00 -0.56 0.00 0.00 39.33 39.70 1nf5 h ASP 88 CO 0.09 0.21 0.20 0.40 -1.57 0.00 0.00 179.24 178.57 1nf5 h ILE 89 N 0.19 0.99 -0.53 0.35 2.04 -0.81 0.54 117.51 120.28 1nf5 h ILE 89 Ca 0.06 -0.14 0.01 0.00 1.00 0.00 0.00 64.86 65.79 1nf5 h ILE 89 Cb 0.04 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 1nf5 h ILE 89 CO -0.01 0.07 0.35 0.00 0.00 0.00 0.00 178.15 178.57 1nf5 h ALA 90 N 1.20 1.65 -0.14 1.87 0.00 -0.89 0.48 119.26 123.42 1nf5 h ALA 90 Ca 0.17 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.86 1nf5 h ALA 90 Cb 0.06 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.66 1nf5 h ALA 90 CO -0.11 0.31 -0.60 0.00 0.00 0.00 0.00 179.25 178.86 1nf5 h ALA 92 N 0.53 1.45 -0.75 0.00 0.00 -0.10 -0.87 119.26 119.51 1nf5 h ALA 92 Ca -0.03 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1nf5 h ALA 92 Cb 1.23 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1nf5 h ALA 92 CO 0.13 0.47 0.23 0.87 0.00 0.00 0.00 179.25 180.95 1nf5 h LYS 93 N 0.91 1.17 -0.62 0.00 1.57 -0.84 -0.29 116.57 118.47 1nf5 h LYS 93 Ca 0.24 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1nf5 h LYS 93 Cb -0.03 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.09 1nf5 h LYS 93 CO -0.04 0.99 0.19 0.87 -0.57 0.00 0.00 179.45 180.89 1nf5 h LYS 94 N 1.12 0.98 -0.52 3.15 1.57 -0.97 -0.22 116.57 121.68 1nf5 h LYS 94 Ca 0.24 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1nf5 h LYS 94 Cb 0.31 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 1nf5 h LYS 94 CO -0.01 0.87 0.34 0.82 -0.57 0.00 0.00 179.45 180.90 1nf5 h ILE 95 N 0.90 1.14 -0.83 1.86 2.04 -0.87 0.22 117.51 121.98 1nf5 h ILE 95 Ca 0.20 -0.26 -0.04 0.00 1.00 0.00 0.00 64.86 65.76 1nf5 h ILE 95 Cb 0.30 0.38 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 1nf5 h ILE 95 CO -0.00 0.13 0.37 -0.07 0.00 0.00 0.00 178.15 178.58 1nf5 h LEU 96 N 0.71 1.11 -0.22 1.44 3.38 -0.74 0.33 115.31 121.31 1nf5 h LEU 96 Ca 0.19 -0.15 -0.16 0.00 0.09 0.00 0.00 57.88 57.85 1nf5 h LEU 96 Cb -0.07 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.37 1nf5 h LEU 96 CO -0.04 0.95 -0.76 0.00 0.09 0.00 0.00 178.44 178.68 1nf5 h ALA 97 N 1.21 0.59 0.00 1.53 0.00 -0.69 -2.88 119.26 119.03 1nf5 h ALA 97 Ca 0.28 -0.69 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1nf5 h ALA 97 Cb 0.16 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1nf5 h ALA 97 CO -0.03 0.94 -0.59 -0.89 0.00 0.00 0.00 179.25 178.68 1nf5 n ILE 98 N -3.41 1.43 -0.04 0.00 5.41 0.04 -4.75 119.36 118.04 1nf5 n ILE 98 Ca 0.00 0.20 -0.18 0.00 1.00 0.00 0.00 62.75 63.77 1nf5 n ILE 98 Cb 0.80 -2.37 -0.14 0.00 -0.71 0.00 0.00 39.64 37.22 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 -4.59 0.71 0.00 0.38 4.81 0.89 -5.08 118.16 115.27 1nf5 n LYS 99 Ca -0.09 0.22 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 1nf5 n LYS 99 Cb 0.31 -1.66 0.00 0.00 0.02 0.00 0.00 35.03 33.70 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 2.00 1.43 0.30 3.14 0.00 0.30 -4.67 105.19 107.68 1nf5 n GLY 100 Ca -0.34 -2.07 0.15 0.00 0.00 0.00 0.00 46.02 43.76 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 0.57 0.00 -0.61 6.09 -1.86 -2.44 117.51 119.26 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 0.99 0.00 0.00 0.47 0.00 0.00 36.82 38.28 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 -3.92 0.00 -0.31 2.19 10.43 -1.26 -1.09 116.55 122.60 1nf5 n ASP 102 Ca -0.03 -0.33 -0.05 0.00 2.57 0.00 0.00 54.79 56.95 1nf5 n ASP 102 Cb 0.10 -0.07 0.07 0.00 1.84 0.00 0.00 41.12 43.06 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 1.19 -2.38 1.24 3.20 -1.74 -3.34 116.97 115.15 1nf5 h TYR 103 Ca 0.00 -0.05 -0.60 0.00 3.14 0.00 0.00 58.73 61.21 1nf5 h TYR 103 Cb 0.04 -0.37 -0.12 0.00 1.54 0.00 0.00 36.73 37.81 1nf5 h TYR 103 CO 0.00 0.86 0.84 -1.58 -1.64 0.00 0.00 178.16 176.64 1nf5 s TRP 104 N -5.72 2.57 0.55 -3.82 0.51 -0.25 -4.89 118.94 107.89 1nf5 s TRP 104 Ca -0.13 -0.49 0.42 0.00 -2.12 0.00 0.00 56.10 53.79 1nf5 s TRP 104 Cb 0.16 -4.45 2.27 0.00 -0.81 0.00 0.00 33.47 30.64 1nf5 s TRP 104 CO 0.83 -1.81 2.29 0.87 -0.51 0.00 0.00 176.95 178.62 1nf5 h LYS 105 N 9.68 0.00 0.00 4.98 1.57 -1.83 -2.30 116.57 128.67 1nf5 h LYS 105 Ca -0.19 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.56 1nf5 h LYS 105 Cb 1.05 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.36 1nf5 h LYS 105 CO 1.23 0.00 -0.14 0.00 -0.57 0.00 0.00 179.45 179.98 1nf5 h ALA 106 N 2.00 0.96 -0.03 3.86 0.00 -1.92 -3.37 119.26 120.76 1nf5 h ALA 106 Ca 0.00 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.82 1nf5 h ALA 106 Cb 0.02 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 1nf5 h ALA 106 CO 0.00 0.17 -0.46 -0.92 0.00 0.00 0.00 179.25 178.04 1nf5 h TYR 107 N 0.00 -1.31 0.65 0.00 3.20 -1.74 -1.39 116.97 116.37 1nf5 h TYR 107 Ca -0.00 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 1nf5 h TYR 107 Cb 0.86 0.58 0.01 0.00 1.54 0.00 0.00 36.73 39.71 1nf5 h TYR 107 CO 0.00 -0.52 -0.31 0.87 -1.64 0.00 0.00 178.16 176.56 1nf5 h LYS 108 N -0.59 -0.84 -0.20 1.82 6.56 -1.80 -1.15 116.57 120.37 1nf5 h LYS 108 Ca 0.04 0.06 -0.13 0.00 -1.06 0.00 0.00 60.65 59.56 1nf5 h LYS 108 Cb 0.67 0.19 -0.01 0.00 -0.57 0.00 0.00 32.23 32.51 1nf5 h LYS 108 CO -0.35 -0.55 -0.43 -1.00 -2.06 0.00 0.00 179.45 175.05 1nf5 h PRO 109 N -0.89 0.49 0.00 3.15 0.13 -1.76 -3.32 132.00 129.79 1nf5 h PRO 109 Ca -0.09 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1nf5 h PRO 109 Cb 0.68 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.81 1nf5 h PRO 109 CO 0.15 0.83 -1.89 -1.33 -0.23 0.00 0.00 178.00 175.53 1nf5 n MET 110 N -4.01 0.60 -1.70 0.86 2.81 -0.53 -4.65 117.12 110.50 1nf5 n MET 110 Ca -0.02 -0.18 -0.07 0.00 -1.81 0.00 0.00 57.70 55.62 1nf5 n MET 110 Cb 0.53 -1.51 0.08 0.00 -0.71 0.00 0.00 33.22 31.61 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 -0.64 1.79 -3.63 0.00 7.64 -1.24 -4.89 113.62 112.66 1nf5 n SER 112 Ca 0.25 -1.39 -0.10 0.00 1.01 0.00 0.00 58.87 58.64 1nf5 n SER 112 Cb 0.88 0.56 -0.03 0.00 -1.01 0.00 0.00 64.21 64.61 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 -2.58 1.80 -1.20 1.43 -1.05 -1.26 -4.98 118.70 110.85 1nf5 s GLU 113 Ca 0.17 -1.32 -0.19 0.00 -0.15 0.00 0.00 54.97 53.47 1nf5 s GLU 113 Cb 0.18 0.53 0.00 0.00 -0.44 0.00 0.00 34.13 34.40 1nf5 s GLU 113 CO 0.63 -0.79 0.70 1.63 0.95 0.00 0.00 175.26 178.38 1nf5 n LYS 114 N -0.46 -1.42 0.02 -4.83 5.02 -1.26 -4.90 118.16 110.32 1nf5 n LYS 114 Ca -0.03 0.38 -0.09 0.00 -2.02 0.00 0.00 58.31 56.54 1nf5 n LYS 114 Cb 0.61 -3.91 -0.13 0.00 -0.02 0.00 0.00 35.03 31.58 1nf5 n LYS 114 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1nf5 h LEU 115 N -2.02 0.05 -0.99 -0.35 3.38 -1.93 -3.37 115.31 110.07 1nf5 h LEU 115 Ca -0.67 -0.07 0.27 0.00 0.09 0.00 0.00 57.88 57.49 1nf5 h LEU 115 Cb 1.37 -0.02 -0.13 0.00 0.09 0.00 0.00 40.66 41.97 1nf5 h LEU 115 CO 0.52 1.06 0.56 -0.33 0.09 0.00 0.00 178.44 180.33 1nf5 h GLU 116 N 0.01 0.46 -0.17 1.13 4.39 -1.96 0.11 114.58 118.54 1nf5 h GLU 116 Ca -0.19 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.53 1nf5 h GLU 116 Cb 1.93 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 30.47 1nf5 h GLU 116 CO 0.10 0.31 0.22 -0.56 -1.16 0.00 0.00 179.01 177.92 1nf5 h GLN 117 N 0.48 0.00 -0.02 2.33 3.07 -1.98 -0.86 115.11 118.13 1nf5 h GLN 117 Ca 0.66 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.40 1nf5 h GLN 117 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.90 1nf5 h GLN 117 CO -0.53 0.00 0.00 0.91 0.09 0.00 0.00 178.83 179.30 1nf5 n TRP 118 N -3.66 0.02 -2.38 0.06 7.02 0.38 -4.90 117.44 113.98 1nf5 n TRP 118 Ca 0.01 -0.01 -0.40 0.00 -1.02 0.00 0.00 57.50 56.08 1nf5 n TRP 118 Cb 0.34 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.19 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 -1.98 4.55 -0.17 -0.99 3.52 -0.33 -4.73 118.95 118.83 1nf5 s ARG 119 Ca 0.41 1.91 -0.07 0.00 -0.13 0.00 0.00 55.73 57.85 1nf5 s ARG 119 Cb 0.20 -3.17 -0.04 0.00 -1.56 0.00 0.00 34.95 30.38 1nf5 s ARG 119 CO 0.33 0.08 0.06 0.00 -0.81 0.00 0.00 175.30 174.96 1nf5 n GLU 121 N 3.29 1.03 -2.74 0.00 4.07 -1.26 -4.96 120.64 120.07 1nf5 n GLU 121 Ca -0.17 -1.20 -0.43 0.00 -0.06 0.00 0.00 57.16 55.30 1nf5 n GLU 121 Cb 0.53 -1.24 -0.03 0.00 -0.06 0.00 0.00 31.44 30.63 1nf5 n GLU 121 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 1nf5 s LYS 122 N -1.20 4.25 0.00 5.31 2.20 -1.26 -5.25 119.74 123.79 1nf5 s LYS 122 Ca 0.15 1.22 0.01 0.00 -0.36 0.00 0.00 55.97 56.99 1nf5 s LYS 122 Cb 0.11 -3.63 0.07 0.00 -1.51 0.00 0.00 37.83 32.87 1nf5 s LYS 122 CO 0.19 -0.56 0.56 -2.30 -0.36 0.00 0.00 175.35 172.89