#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nqi s GLU 2 N 0.00 3.20 0.74 -2.82 2.02 -1.26 -1.21 118.70 119.38 1nqi s GLU 2 Ca 0.00 -0.60 -0.12 0.00 0.02 0.00 0.00 54.97 54.27 1nqi s GLU 2 Cb 0.00 -4.15 0.04 0.00 0.10 0.00 0.00 34.13 30.12 1nqi s GLU 2 CO 0.00 -1.64 1.13 -0.51 0.02 0.00 0.00 175.26 174.25 1nqi s LEU 3 N 3.93 2.75 0.34 1.80 1.43 0.57 -4.98 118.68 124.53 1nqi s LEU 3 Ca 0.25 1.00 0.02 0.00 -1.03 0.00 0.00 54.13 54.38 1nqi s LEU 3 Cb -0.15 -3.69 -0.02 0.00 0.03 0.00 0.00 46.19 42.36 1nqi s LEU 3 CO 0.14 -1.55 0.52 0.42 0.23 0.00 0.00 176.35 176.11 1nqi s THR 4 N -3.44 4.78 0.23 5.49 -4.23 -1.26 -4.81 115.64 112.39 1nqi s THR 4 Ca 0.60 -0.67 -0.07 0.00 -1.18 0.00 0.00 61.69 60.37 1nqi s THR 4 Cb -0.11 -3.72 0.18 0.00 1.34 0.00 0.00 72.50 70.19 1nqi s THR 4 CO 0.51 -0.40 1.74 0.50 -0.54 0.00 0.00 174.62 176.43 1nqi h LYS 5 N 0.80 0.45 -0.17 3.99 3.64 -1.98 -1.40 116.57 121.90 1nqi h LYS 5 Ca -0.49 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 58.76 1nqi h LYS 5 Cb 1.23 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 1nqi h LYS 5 CO 0.59 0.29 -0.33 0.00 -2.27 0.00 0.00 179.45 177.74 1nqi h LYS 7 N 0.30 0.87 0.03 0.00 1.63 -1.67 -1.74 116.57 115.99 1nqi h LYS 7 Ca 0.04 -0.22 -0.00 0.00 -0.85 0.00 0.00 60.65 59.62 1nqi h LYS 7 Cb 0.72 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.24 1nqi h LYS 7 CO 0.06 0.83 -0.02 0.28 -3.45 0.00 0.00 179.45 177.15 1nqi h VAL 8 N 0.76 1.18 -0.65 2.00 2.07 -1.12 -1.74 116.25 118.77 1nqi h VAL 8 Ca 0.17 -0.70 0.11 0.00 0.82 0.00 0.00 66.70 67.09 1nqi h VAL 8 Cb 0.36 1.65 -0.08 0.00 -1.52 0.00 0.00 31.29 31.70 1nqi h VAL 8 CO 0.00 0.18 0.24 0.28 0.02 0.00 0.00 177.57 178.29 1nqi h SER 9 N -0.35 0.22 -0.54 0.57 0.02 -0.95 -0.43 113.55 112.08 1nqi h SER 9 Ca -0.00 0.09 -0.10 0.00 -0.84 0.00 0.00 61.79 60.94 1nqi h SER 9 Cb 0.33 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 1nqi h SER 9 CO 0.01 0.12 -0.04 0.45 -1.14 0.00 0.00 176.83 176.23 1nqi h HIS 10 N 0.41 1.08 -0.15 3.45 -0.00 -1.28 -3.01 115.15 115.64 1nqi h HIS 10 Ca 0.33 -0.20 -0.05 0.00 -0.00 0.00 0.00 60.37 60.46 1nqi h HIS 10 Cb 0.44 -0.27 -0.01 0.00 -0.00 0.00 0.00 27.41 27.57 1nqi h HIS 10 CO -0.18 0.99 -0.12 0.00 -0.00 0.00 0.00 177.93 178.63 1nqi h ALA 11 N 0.94 1.52 -0.64 2.45 0.00 -0.33 -3.17 119.26 120.04 1nqi h ALA 11 Ca 0.15 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1nqi h ALA 11 Cb 0.58 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1nqi h ALA 11 CO 0.03 0.34 0.00 0.44 0.00 0.00 0.00 179.25 180.07 1nqi n ILE 12 N -4.29 1.72 -0.34 0.00 -5.35 -0.27 -4.68 119.36 106.15 1nqi n ILE 12 Ca -0.01 -1.19 0.07 0.00 -0.27 0.00 0.00 62.75 61.36 1nqi n ILE 12 Cb 0.26 0.18 0.16 0.00 -1.74 0.00 0.00 39.64 38.50 1nqi n ILE 12 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1nqi n LYS 13 N 1.11 -0.08 0.00 6.28 4.76 -1.15 -0.90 118.16 128.18 1nqi n LYS 13 Ca 0.25 1.49 0.02 0.00 -2.87 0.00 0.00 58.31 57.20 1nqi n LYS 13 Cb 0.84 -2.25 0.11 0.00 -1.84 0.00 0.00 35.03 31.90 1nqi n LYS 13 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1nqi n ASP 14 N -5.54 0.00 -0.00 4.39 4.64 -1.26 -1.60 116.55 117.18 1nqi n ASP 14 Ca 0.17 -0.85 0.06 0.00 -1.38 0.00 0.00 54.79 52.78 1nqi n ASP 14 Cb 0.53 0.00 -0.07 0.00 -1.04 0.00 0.00 41.12 40.54 1nqi n ASP 14 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1nqi n ILE 15 N -0.62 0.00 -1.68 5.18 3.06 -0.08 -4.91 119.36 120.31 1nqi n ILE 15 Ca 0.03 -0.23 -0.49 0.00 -2.50 0.00 0.00 62.75 59.55 1nqi n ILE 15 Cb 0.01 0.84 -0.05 0.00 0.54 0.00 0.00 39.64 40.98 1nqi n ILE 15 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 1nqi n ASP 16 N -1.41 3.21 0.00 9.51 2.03 -0.63 -1.16 116.55 128.10 1nqi n ASP 16 Ca 0.01 1.00 0.00 0.00 0.52 0.00 0.00 54.79 56.33 1nqi n ASP 16 Cb 0.21 -1.34 0.00 0.00 -0.72 0.00 0.00 41.12 39.27 1nqi n ASP 16 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1nqi n GLY 17 N 4.20 3.07 3.67 0.27 0.00 0.11 -4.98 105.19 111.54 1nqi n GLY 17 Ca 0.22 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.78 1nqi n GLY 17 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1nqi n TYR 18 N -1.61 2.29 -1.56 1.61 9.36 -0.31 -0.08 117.16 126.85 1nqi n TYR 18 Ca 0.00 0.20 -0.19 0.00 3.32 0.00 0.00 57.90 61.23 1nqi n TYR 18 Cb 0.00 -2.57 -0.08 0.00 -0.63 0.00 0.00 39.34 36.06 1nqi n TYR 18 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 1nqi n GLN 19 N 4.15 -1.47 -0.74 2.98 -0.06 -1.26 -1.91 117.38 119.07 1nqi n GLN 19 Ca 0.18 1.17 0.00 0.00 -2.00 0.00 0.00 57.00 56.35 1nqi n GLN 19 Cb 0.29 -5.55 0.00 0.00 -4.06 0.00 0.00 30.24 20.92 1nqi n GLN 19 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1nqi n GLY 20 N -0.31 0.76 3.69 1.69 0.00 0.88 -5.00 105.19 106.89 1nqi n GLY 20 Ca -0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 1nqi n GLY 20 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nqi s ILE 21 N -2.83 5.19 0.72 -0.61 -1.09 -0.80 -4.85 121.20 116.93 1nqi s ILE 21 Ca 0.00 0.79 -0.08 0.00 -2.23 0.00 0.00 60.65 59.13 1nqi s ILE 21 Cb 0.00 -3.76 0.06 0.00 -1.58 0.00 0.00 42.46 37.18 1nqi s ILE 21 CO 0.00 0.27 1.05 -0.94 -1.23 0.00 0.00 174.94 174.08 1nqi s SER 22 N 0.92 4.87 0.33 3.58 1.04 -1.26 0.08 113.70 123.27 1nqi s SER 22 Ca 0.21 0.61 0.07 0.00 0.48 0.00 0.00 55.95 57.33 1nqi s SER 22 Cb -0.15 -1.27 0.60 0.00 0.10 0.00 0.00 66.02 65.30 1nqi s SER 22 CO 0.08 -1.59 1.80 -0.07 0.98 0.00 0.00 173.24 174.44 1nqi h LEU 23 N -0.67 0.28 -0.25 2.42 3.38 -1.93 -0.36 115.31 118.18 1nqi h LEU 23 Ca -0.45 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.42 1nqi h LEU 23 Cb 1.31 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 1nqi h LEU 23 CO 0.62 0.53 0.08 -0.07 0.09 0.00 0.00 178.44 179.69 1nqi h LEU 24 N 0.25 0.37 -0.65 1.67 3.38 -1.91 0.75 115.31 119.17 1nqi h LEU 24 Ca 0.04 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 1nqi h LEU 24 Cb 0.58 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1nqi h LEU 24 CO 0.04 0.47 0.30 -0.33 0.09 0.00 0.00 178.44 179.01 1nqi h GLU 25 N 0.24 0.95 -0.65 1.13 5.08 -1.82 -2.37 114.58 117.15 1nqi h GLU 25 Ca 0.08 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1nqi h GLU 25 Cb 0.23 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1nqi h GLU 25 CO -0.00 0.77 0.16 -1.49 -1.00 0.00 0.00 179.01 177.44 1nqi h TRP 26 N 0.91 1.10 -0.87 4.33 4.06 -0.76 0.38 115.95 125.10 1nqi h TRP 26 Ca 0.22 -0.13 0.03 0.00 2.06 0.00 0.00 58.89 61.07 1nqi h TRP 26 Cb 0.14 -0.31 -0.05 0.00 -1.00 0.00 0.00 29.16 27.94 1nqi h TRP 26 CO 0.01 0.91 0.57 0.00 -3.56 0.00 0.00 178.44 176.36 1nqi h ALA 27 N 1.06 1.13 0.15 1.49 0.00 -0.64 0.14 119.26 122.59 1nqi h ALA 27 Ca 0.20 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1nqi h ALA 27 Cb 0.37 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1nqi h ALA 27 CO 0.00 0.43 -0.07 0.00 0.00 0.00 0.00 179.25 179.61 1nqi h VAL 29 N -0.46 0.82 -0.52 0.00 2.07 -0.42 -2.71 116.25 115.03 1nqi h VAL 29 Ca -0.02 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 1nqi h VAL 29 Cb 0.36 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1nqi h VAL 29 CO 0.03 0.01 0.24 -0.07 0.02 0.00 0.00 177.57 177.80 1nqi h LEU 30 N 0.04 0.66 -0.18 2.57 3.38 -0.76 0.44 115.31 121.46 1nqi h LEU 30 Ca 0.10 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1nqi h LEU 30 Cb 0.14 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1nqi h LEU 30 CO -0.19 0.58 0.08 0.15 0.09 0.00 0.00 178.44 179.14 1nqi h PHE 31 N 0.74 0.26 0.00 1.13 3.57 -1.07 -0.94 116.94 120.63 1nqi h PHE 31 Ca 0.18 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1nqi h PHE 31 Cb 0.10 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.76 1nqi h PHE 31 CO 0.01 0.31 0.00 0.72 -2.23 0.00 0.00 178.31 177.11 1nqi n HIS 32 N -4.87 0.34 -0.06 0.41 8.25 -1.02 -0.35 115.22 117.93 1nqi n HIS 32 Ca -0.04 0.11 -0.21 0.00 -0.26 0.00 0.00 57.72 57.31 1nqi n HIS 32 Cb 0.11 -0.67 -0.12 0.00 1.12 0.00 0.00 29.99 30.42 1nqi n HIS 32 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1nqi h THR 33 N 0.00 0.93 0.00 1.59 2.02 -0.60 -3.44 112.91 113.41 1nqi h THR 33 Ca 0.00 -2.26 0.00 0.00 0.77 0.00 0.00 66.41 64.92 1nqi h THR 33 Cb 0.52 2.43 0.00 0.00 -1.74 0.00 0.00 68.15 69.36 1nqi h THR 33 CO 0.00 0.51 0.00 -1.54 0.37 0.00 0.00 175.52 174.86 1nqi n SER 34 N -4.18 0.22 -1.15 4.18 3.41 -0.38 -4.89 113.62 110.82 1nqi n SER 34 Ca -0.30 -0.73 -0.13 0.00 -0.26 0.00 0.00 58.87 57.45 1nqi n SER 34 Cb 0.78 0.10 -0.04 0.00 -0.26 0.00 0.00 64.21 64.79 1nqi n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nqi n GLY 35 N 0.10 0.86 2.42 5.00 0.00 0.53 -2.39 105.19 111.71 1nqi n GLY 35 Ca 0.00 -0.40 -0.17 0.00 0.00 0.00 0.00 46.02 45.46 1nqi n GLY 35 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1nqi n TYR 36 N -3.09 -0.32 -3.18 1.61 4.01 -1.23 -4.75 117.16 110.21 1nqi n TYR 36 Ca -0.14 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.17 1nqi n TYR 36 Cb 0.49 -3.10 -0.07 0.00 -0.31 0.00 0.00 39.34 36.35 1nqi n TYR 36 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1nqi s ASP 37 N -2.59 6.23 0.44 7.72 -1.08 -1.00 -0.32 116.67 126.07 1nqi s ASP 37 Ca 0.00 -0.81 0.30 0.00 -0.52 0.00 0.00 52.55 51.52 1nqi s ASP 37 Cb 0.00 -2.28 1.61 0.00 -1.46 0.00 0.00 42.92 40.78 1nqi s ASP 37 CO 0.00 -0.83 1.91 0.71 0.52 0.00 0.00 175.17 177.48 1nqi h THR 38 N 5.85 0.00 -0.52 1.71 1.35 -1.48 -1.76 112.91 118.06 1nqi h THR 38 Ca -0.27 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 1nqi h THR 38 Cb 1.10 0.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 1nqi h THR 38 CO 0.93 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.20 1nqi n GLN 39 N -2.55 2.92 -1.77 4.72 6.02 -1.26 -4.06 117.38 121.41 1nqi n GLN 39 Ca -0.02 -2.41 -0.41 0.00 -0.01 0.00 0.00 57.00 54.15 1nqi n GLN 39 Cb 0.05 -1.48 -0.01 0.00 1.02 0.00 0.00 30.24 29.82 1nqi n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1nqi s ALA 40 N -1.20 3.71 -0.05 -1.58 0.00 -0.66 -4.75 121.76 117.23 1nqi s ALA 40 Ca 0.37 1.59 -0.01 0.00 0.00 0.00 0.00 51.96 53.90 1nqi s ALA 40 Cb 0.20 -3.65 0.03 0.00 0.00 0.00 0.00 23.12 19.71 1nqi s ALA 40 CO 0.23 -1.03 0.04 0.08 0.00 0.00 0.00 175.76 175.08 1nqi s VAL 41 N -0.31 0.05 -0.10 0.00 1.01 -1.26 -0.93 120.40 118.86 1nqi s VAL 41 Ca 0.61 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.89 1nqi s VAL 41 Cb -0.48 -0.26 0.02 0.00 0.00 0.00 0.00 36.38 35.66 1nqi s VAL 41 CO 0.53 0.19 -0.08 -0.69 0.00 0.00 0.00 175.10 175.05 1nqi s VAL 42 N 1.94 1.00 -0.24 2.92 1.01 -0.89 -4.98 120.40 121.16 1nqi s VAL 42 Ca 0.03 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 1nqi s VAL 42 Cb -0.12 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.27 1nqi s VAL 42 CO -0.03 0.35 -0.04 0.21 0.00 0.00 0.00 175.10 175.59 1nqi s ASN 43 N 1.45 4.36 -0.02 3.32 3.84 -1.26 -0.07 114.94 126.56 1nqi s ASN 43 Ca -0.00 -0.65 -0.27 0.00 0.21 0.00 0.00 52.86 52.15 1nqi s ASN 43 Cb -0.13 -1.71 0.06 0.00 -0.55 0.00 0.00 41.25 38.91 1nqi s ASN 43 CO -0.05 -0.09 0.59 -0.62 -2.79 0.00 0.00 177.10 174.14 1nqi s ASP 44 N 1.41 -0.54 -1.53 -4.21 -1.08 0.14 -4.94 116.67 105.93 1nqi s ASP 44 Ca 0.03 0.51 -0.05 0.00 -0.52 0.00 0.00 52.55 52.52 1nqi s ASP 44 Cb -0.16 0.49 0.01 0.00 -1.46 0.00 0.00 42.92 41.80 1nqi s ASP 44 CO -0.03 -0.60 0.65 -3.20 0.52 0.00 0.00 175.17 172.50 1nqi n ASN 45 N 0.87 -6.13 -0.30 -0.34 4.05 -1.26 -1.71 115.26 110.45 1nqi n ASN 45 Ca -0.19 -0.30 -0.04 0.00 0.45 0.00 0.00 54.58 54.49 1nqi n ASN 45 Cb 0.57 -4.92 -0.02 0.00 1.23 0.00 0.00 39.78 36.64 1nqi n ASN 45 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1nqi n GLY 46 N -1.56 0.66 3.31 8.20 0.00 -1.26 -5.01 105.19 109.53 1nqi n GLY 46 Ca -0.10 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.36 1nqi n GLY 46 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nqi s SER 47 N -2.56 0.10 -0.04 1.61 1.04 -0.70 -4.98 113.70 108.18 1nqi s SER 47 Ca 0.00 -1.06 0.03 0.00 0.48 0.00 0.00 55.95 55.40 1nqi s SER 47 Cb 0.00 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1nqi s SER 47 CO 0.00 -0.88 -0.14 -0.89 0.98 0.00 0.00 173.24 172.31 1nqi s THR 48 N -4.03 1.19 -0.10 2.02 2.01 -1.26 0.28 115.64 115.74 1nqi s THR 48 Ca 0.24 -0.57 -0.03 0.00 0.31 0.00 0.00 61.69 61.64 1nqi s THR 48 Cb 0.04 -1.04 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 1nqi s THR 48 CO 0.04 0.35 0.02 -1.61 -0.69 0.00 0.00 174.62 172.74 1nqi s GLU 49 N 0.18 3.16 -0.03 4.92 2.02 0.90 -1.82 118.70 128.03 1nqi s GLU 49 Ca -0.05 -0.37 0.06 0.00 0.02 0.00 0.00 54.97 54.63 1nqi s GLU 49 Cb -0.11 -2.89 -0.02 0.00 0.10 0.00 0.00 34.13 31.21 1nqi s GLU 49 CO 0.02 0.66 -0.22 0.71 0.02 0.00 0.00 175.26 176.44 1nqi s TYR 50 N -0.74 2.46 0.00 1.61 1.51 0.78 -2.09 117.35 120.88 1nqi s TYR 50 Ca 0.12 -0.35 0.00 0.00 -1.01 0.00 0.00 57.07 55.82 1nqi s TYR 50 Cb -0.12 -1.55 0.00 0.00 -0.11 0.00 0.00 41.96 40.19 1nqi s TYR 50 CO 0.02 0.03 0.00 0.41 -1.11 0.00 0.00 175.55 174.90 1nqi n GLY 51 N 2.41 -0.97 0.31 0.71 0.00 -0.11 -1.33 105.19 106.22 1nqi n GLY 51 Ca -0.16 -1.10 0.11 0.00 0.00 0.00 0.00 46.02 44.86 1nqi n GLY 51 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1nqi h LEU 52 N 0.00 0.39 -0.16 0.99 5.85 -1.70 -0.44 115.31 120.23 1nqi h LEU 52 Ca 0.00 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1nqi h LEU 52 Cb 0.00 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.12 1nqi h LEU 52 CO 0.00 0.08 -0.44 0.49 -0.34 0.00 0.00 178.44 178.23 1nqi n PHE 53 N -4.99 0.00 -3.63 1.25 3.72 -1.26 -4.14 117.46 108.41 1nqi n PHE 53 Ca 0.20 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.36 1nqi n PHE 53 Cb 0.57 -0.20 0.04 0.00 -0.94 0.00 0.00 39.48 38.95 1nqi n PHE 53 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1nqi n GLN 54 N -1.22 -3.13 -2.66 -1.08 1.13 -0.18 -4.91 117.38 105.34 1nqi n GLN 54 Ca 0.08 0.59 -0.42 0.00 -1.94 0.00 0.00 57.00 55.31 1nqi n GLN 54 Cb 0.34 -4.89 -0.03 0.00 0.11 0.00 0.00 30.24 25.77 1nqi n GLN 54 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1nqi s ILE 55 N -3.57 4.72 0.24 5.09 1.01 -0.45 -4.35 121.20 123.89 1nqi s ILE 55 Ca 0.24 1.96 -0.21 0.00 0.00 0.00 0.00 60.65 62.64 1nqi s ILE 55 Cb -0.07 -4.26 -0.09 0.00 0.01 0.00 0.00 42.46 38.06 1nqi s ILE 55 CO 0.82 0.11 0.77 -0.55 0.00 0.00 0.00 174.94 176.09 1nqi s SER 56 N 1.06 7.11 0.00 3.58 0.15 -1.26 -0.15 113.70 124.18 1nqi s SER 56 Ca 0.52 1.50 0.30 0.00 0.70 0.00 0.00 55.95 58.97 1nqi s SER 56 Cb -0.22 -2.45 1.38 0.00 -1.71 0.00 0.00 66.02 63.02 1nqi s SER 56 CO 0.26 0.01 1.93 -0.90 1.20 0.00 0.00 173.24 175.74 1nqi n ASP 57 N 0.66 0.69 0.09 5.45 5.75 -0.75 -2.25 116.55 126.18 1nqi n ASP 57 Ca -0.01 -1.05 0.02 0.00 -0.01 0.00 0.00 54.79 53.74 1nqi n ASP 57 Cb 0.51 -0.02 0.38 0.00 -1.03 0.00 0.00 41.12 40.96 1nqi n ASP 57 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 1nqi h ARG 58 N 1.02 0.31 0.00 0.11 2.43 -1.83 -3.41 114.38 113.02 1nqi h ARG 58 Ca 0.00 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1nqi h ARG 58 Cb 0.29 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1nqi h ARG 58 CO 0.00 0.41 0.00 1.19 -1.51 0.00 0.00 179.97 180.06 1nqi n PHE 59 N -4.29 0.00 0.03 2.20 3.72 -1.24 -4.48 117.46 113.38 1nqi n PHE 59 Ca -0.00 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.21 1nqi n PHE 59 Cb 0.25 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.64 1nqi n PHE 59 CO 0.00 0.00 0.00 -1.49 -0.05 0.00 0.00 176.76 175.22 1nqi h TRP 60 N 0.00 0.44 -3.56 1.38 4.06 -1.68 -0.23 115.95 116.36 1nqi h TRP 60 Ca 0.00 -0.32 -0.30 0.00 2.06 0.00 0.00 58.89 60.33 1nqi h TRP 60 Cb 0.00 -0.02 -0.15 0.00 -1.00 0.00 0.00 29.16 28.00 1nqi h TRP 60 CO 0.00 1.55 -0.69 0.00 -3.56 0.00 0.00 178.44 175.73 1nqi s LYS 62 N -3.81 4.14 0.43 0.00 2.20 -0.52 -4.46 119.74 117.71 1nqi s LYS 62 Ca 0.18 0.06 0.04 0.00 -0.36 0.00 0.00 55.97 55.89 1nqi s LYS 62 Cb 0.04 -3.38 -0.05 0.00 -1.51 0.00 0.00 37.83 32.93 1nqi s LYS 62 CO 0.01 0.34 0.03 -1.54 -0.36 0.00 0.00 175.35 173.82 1nqi s SER 63 N 0.17 3.63 -0.02 1.43 1.04 -1.26 -0.58 113.70 118.11 1nqi s SER 63 Ca 0.16 -1.50 -0.23 0.00 0.48 0.00 0.00 55.95 54.86 1nqi s SER 63 Cb -0.13 0.05 -0.20 0.00 0.10 0.00 0.00 66.02 65.84 1nqi s SER 63 CO 0.04 -0.66 1.16 0.28 0.98 0.00 0.00 173.24 175.04 1nqi h SER 64 N 1.68 0.27 -0.96 7.02 0.02 -1.98 -2.57 113.55 117.02 1nqi h SER 64 Ca -0.43 -0.65 0.10 0.00 -0.84 0.00 0.00 61.79 59.97 1nqi h SER 64 Cb 1.27 -0.08 -0.07 0.00 0.14 0.00 0.00 62.40 63.66 1nqi h SER 64 CO 0.75 0.87 0.62 1.05 -1.14 0.00 0.00 176.83 178.97 1nqi h GLU 65 N -0.32 0.97 -2.11 3.45 4.11 -2.02 -3.17 114.58 115.49 1nqi h GLU 65 Ca -0.01 -0.06 -0.55 0.00 0.07 0.00 0.00 59.36 58.81 1nqi h GLU 65 Cb 0.86 -0.22 -0.41 0.00 0.50 0.00 0.00 28.75 29.48 1nqi h GLU 65 CO 0.04 0.64 -0.91 0.34 0.07 0.00 0.00 179.01 179.20 1nqi n PHE 66 N -4.55 1.76 0.22 2.06 7.35 -1.24 -4.98 117.46 118.08 1nqi n PHE 66 Ca 0.17 -3.87 0.11 0.00 -0.76 0.00 0.00 57.45 53.09 1nqi n PHE 66 Cb 0.29 -0.45 0.59 0.00 0.35 0.00 0.00 39.48 40.26 1nqi n PHE 66 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 1nqi h PRO 67 N 3.51 0.00 -1.86 -7.13 0.13 -1.43 -3.23 132.00 121.99 1nqi h PRO 67 Ca 0.12 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.70 1nqi h PRO 67 Cb 0.76 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.48 1nqi h PRO 67 CO 0.64 0.00 -0.80 -1.91 -0.23 0.00 0.00 178.00 175.70 1nqi n GLU 68 N -2.37 2.80 -2.46 0.86 2.13 -1.26 -4.85 120.64 115.49 1nqi n GLU 68 Ca -0.01 -4.39 -0.24 0.00 0.66 0.00 0.00 57.16 53.18 1nqi n GLU 68 Cb 0.24 -2.07 0.09 0.00 0.27 0.00 0.00 31.44 29.97 1nqi n GLU 68 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1nqi s SER 69 N -3.33 4.58 0.27 4.31 1.04 -1.22 -4.94 113.70 114.41 1nqi s SER 69 Ca 0.45 -0.05 0.23 0.00 0.48 0.00 0.00 55.95 57.06 1nqi s SER 69 Cb 0.35 -0.49 1.02 0.00 0.10 0.00 0.00 66.02 67.00 1nqi s SER 69 CO -0.13 -1.70 1.69 -0.62 0.98 0.00 0.00 173.24 173.47 1nqi n GLU 70 N -2.80 0.18 -4.27 4.02 4.71 -1.25 -4.85 120.64 116.38 1nqi n GLU 70 Ca 0.12 0.48 -0.31 0.00 -0.01 0.00 0.00 57.16 57.44 1nqi n GLU 70 Cb 0.60 -1.89 -0.09 0.00 -1.01 0.00 0.00 31.44 29.05 1nqi n GLU 70 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1nqi n ASN 71 N -2.24 0.63 -0.31 1.62 4.05 -0.63 -4.76 115.26 113.62 1nqi n ASN 71 Ca 0.01 -1.23 0.19 0.00 0.45 0.00 0.00 54.58 54.00 1nqi n ASN 71 Cb 0.18 -1.83 0.45 0.00 1.23 0.00 0.00 39.78 39.81 1nqi n ASN 71 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 177.26 174.61 1nqi h ILE 72 N -1.76 0.60 0.00 -1.44 2.04 -1.01 0.14 117.51 116.08 1nqi h ILE 72 Ca -0.65 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.03 1nqi h ILE 72 Cb 1.40 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1nqi h ILE 72 CO 0.70 0.09 0.00 0.00 0.00 0.00 0.00 178.15 178.95 1nqi n GLY 74 N 1.11 -0.39 3.38 0.00 0.00 0.48 -4.95 105.19 104.81 1nqi n GLY 74 Ca 0.08 0.13 -0.15 0.00 0.00 0.00 0.00 46.02 46.08 1nqi n GLY 74 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1nqi s ILE 75 N -3.42 0.03 0.23 -0.61 2.07 -1.26 -5.08 121.20 113.16 1nqi s ILE 75 Ca 0.03 -0.24 -0.30 0.00 -1.41 0.00 0.00 60.65 58.72 1nqi s ILE 75 Cb -0.00 -0.82 -0.09 0.00 0.13 0.00 0.00 42.46 41.68 1nqi s ILE 75 CO 0.75 -0.13 1.05 -0.55 -1.91 0.00 0.00 174.94 174.14 1nqi s SER 76 N -1.31 7.38 0.55 4.50 0.15 -1.26 -1.44 113.70 122.26 1nqi s SER 76 Ca -0.12 2.10 0.24 0.00 0.70 0.00 0.00 55.95 58.87 1nqi s SER 76 Cb -0.02 -2.61 1.45 0.00 -1.71 0.00 0.00 66.02 63.12 1nqi s SER 76 CO 0.06 -0.08 2.08 0.00 1.20 0.00 0.00 173.24 176.50 1nqi h ASP 78 N 0.00 0.00 0.41 0.00 3.32 -1.92 -0.98 116.42 117.25 1nqi h ASP 78 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1nqi h ASP 78 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1nqi h ASP 78 CO -0.00 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.81 1nqi n LYS 79 N -2.97 0.25 -0.30 3.56 4.76 -0.48 -2.11 118.16 120.87 1nqi n LYS 79 Ca -0.01 0.11 0.11 0.00 -2.87 0.00 0.00 58.31 55.65 1nqi n LYS 79 Cb 0.20 -1.50 0.28 0.00 -1.84 0.00 0.00 35.03 32.17 1nqi n LYS 79 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1nqi n LEU 80 N -1.31 3.61 -0.44 -0.35 4.77 -0.37 -4.25 117.00 118.66 1nqi n LEU 80 Ca 0.09 -1.72 0.08 0.00 -0.03 0.00 0.00 56.01 54.42 1nqi n LEU 80 Cb 0.17 -0.39 0.18 0.00 -2.33 0.00 0.00 43.42 41.05 1nqi n LEU 80 CO 0.16 0.86 0.58 0.18 -1.33 0.00 0.00 177.39 177.83 1nqi n LEU 81 N 1.50 2.91 0.00 2.23 4.77 -0.90 -3.23 117.00 124.29 1nqi n LEU 81 Ca 0.22 -3.28 -0.06 0.00 -0.03 0.00 0.00 56.01 52.86 1nqi n LEU 81 Cb 0.59 -0.49 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 1nqi n LEU 81 CO 0.16 0.87 -0.03 -0.90 -1.33 0.00 0.00 177.39 176.16 1nqi n ASP 82 N -1.16 2.10 -1.14 -1.43 5.68 -1.26 -4.53 116.55 114.81 1nqi n ASP 82 Ca 0.19 -1.38 0.09 0.00 -0.50 0.00 0.00 54.79 53.19 1nqi n ASP 82 Cb 0.74 0.05 0.27 0.00 -1.14 0.00 0.00 41.12 41.04 1nqi n ASP 82 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1nqi n ASP 83 N -1.20 3.33 -4.31 -1.12 8.00 -1.26 -4.74 116.55 115.24 1nqi n ASP 83 Ca -0.03 -2.08 -0.43 0.00 0.71 0.00 0.00 54.79 52.96 1nqi n ASP 83 Cb 0.11 -0.42 -0.08 0.00 -0.02 0.00 0.00 41.12 40.71 1nqi n ASP 83 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1nqi s GLU 84 N -1.35 2.78 0.00 -1.24 2.02 -1.26 -4.94 118.70 114.72 1nqi s GLU 84 Ca 0.40 -1.52 0.29 0.00 0.02 0.00 0.00 54.97 54.16 1nqi s GLU 84 Cb 0.22 -4.02 1.20 0.00 0.10 0.00 0.00 34.13 31.63 1nqi s GLU 84 CO 0.25 -1.09 1.87 1.28 0.02 0.00 0.00 175.26 177.59 1nqi n LEU 85 N 5.08 0.23 -0.12 1.80 4.32 -1.26 -4.29 117.00 122.76 1nqi n LEU 85 Ca -0.11 0.21 -0.05 0.00 -0.02 0.00 0.00 56.01 56.04 1nqi n LEU 85 Cb 0.42 -0.31 0.03 0.00 -1.62 0.00 0.00 43.42 41.94 1nqi n LEU 85 CO 0.45 0.05 0.90 0.44 -1.22 0.00 0.00 177.39 178.01 1nqi h ASP 86 N 0.19 0.00 0.74 -1.43 5.19 -1.92 0.01 116.42 119.20 1nqi h ASP 86 Ca 0.00 0.07 -0.14 0.00 -0.62 0.00 0.00 57.03 56.34 1nqi h ASP 86 Cb 0.40 0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.98 1nqi h ASP 86 CO 0.00 0.04 -0.67 -2.24 -3.12 0.00 0.00 179.24 173.25 1nqi h ASP 87 N 0.20 0.00 -0.41 6.45 3.04 -1.92 -1.42 116.42 122.36 1nqi h ASP 87 Ca 0.19 0.00 -0.04 0.00 -3.24 0.00 0.00 57.03 53.94 1nqi h ASP 87 Cb 0.22 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.50 1nqi h ASP 87 CO -0.25 0.67 0.10 0.44 -2.04 0.00 0.00 179.24 178.16 1nqi h ASP 88 N 0.00 0.62 -0.66 4.15 3.45 -1.64 -1.57 116.42 120.76 1nqi h ASP 88 Ca -0.01 -0.23 -0.08 0.00 0.43 0.00 0.00 57.03 57.14 1nqi h ASP 88 Cb 1.21 -0.16 -0.03 0.00 -0.56 0.00 0.00 39.33 39.79 1nqi h ASP 88 CO 0.09 0.69 0.11 0.40 -1.57 0.00 0.00 179.24 178.95 1nqi h ILE 89 N 0.52 1.26 -0.69 0.35 2.04 -0.88 -0.36 117.51 119.76 1nqi h ILE 89 Ca 0.13 -1.04 -0.06 0.00 1.00 0.00 0.00 64.86 64.89 1nqi h ILE 89 Cb 0.31 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 1nqi h ILE 89 CO 0.00 0.39 0.18 0.00 0.00 0.00 0.00 178.15 178.72 1nqi h ALA 90 N 1.07 1.02 -0.35 1.87 0.00 -1.05 -1.10 119.26 120.72 1nqi h ALA 90 Ca 0.20 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1nqi h ALA 90 Cb 0.44 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1nqi h ALA 90 CO 0.01 0.65 -0.30 0.00 0.00 0.00 0.00 179.25 179.61 1nqi h ALA 92 N 0.75 1.41 -0.86 0.00 0.00 -0.82 -1.08 119.26 118.66 1nqi h ALA 92 Ca 0.06 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1nqi h ALA 92 Cb 0.88 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1nqi h ALA 92 CO 0.08 0.47 0.47 0.87 0.00 0.00 0.00 179.25 181.14 1nqi h LYS 93 N 0.84 1.21 -0.59 0.00 1.57 -1.01 0.15 116.57 118.74 1nqi h LYS 93 Ca 0.21 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 1nqi h LYS 93 Cb 0.05 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 1nqi h LYS 93 CO -0.03 0.89 0.27 0.87 -0.57 0.00 0.00 179.45 180.88 1nqi h LYS 94 N 1.21 0.87 -0.50 3.15 1.79 -1.06 0.19 116.57 122.22 1nqi h LYS 94 Ca 0.30 -0.14 -0.02 0.00 -2.18 0.00 0.00 60.65 58.61 1nqi h LYS 94 Cb 0.04 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 30.52 1nqi h LYS 94 CO -0.05 0.72 0.23 0.82 -1.08 0.00 0.00 179.45 180.09 1nqi h ILE 95 N 0.81 1.20 -0.62 1.86 2.04 -0.49 -0.46 117.51 121.86 1nqi h ILE 95 Ca 0.20 -0.56 0.03 0.00 1.00 0.00 0.00 64.86 65.53 1nqi h ILE 95 Cb 0.15 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 1nqi h ILE 95 CO -0.02 0.22 0.37 -0.07 0.00 0.00 0.00 178.15 178.65 1nqi h LEU 96 N 0.66 0.61 -0.77 1.44 3.38 -0.27 0.51 115.31 120.87 1nqi h LEU 96 Ca 0.17 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.02 1nqi h LEU 96 Cb 0.13 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1nqi h LEU 96 CO -0.02 0.42 -0.36 0.00 0.09 0.00 0.00 178.44 178.57 1nqi h ALA 97 N 1.27 0.94 0.00 1.53 0.00 -0.67 -2.61 119.26 119.73 1nqi h ALA 97 Ca 0.25 -0.41 -0.18 0.00 0.00 0.00 0.00 54.91 54.57 1nqi h ALA 97 Cb 0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1nqi h ALA 97 CO -0.11 0.62 -1.12 -0.89 0.00 0.00 0.00 179.25 177.76 1nqi n ILE 98 N -4.05 1.51 -0.09 0.00 5.41 -0.21 -4.70 119.36 117.22 1nqi n ILE 98 Ca -0.01 0.02 -0.22 0.00 1.00 0.00 0.00 62.75 63.55 1nqi n ILE 98 Cb 0.48 -2.12 -0.12 0.00 -0.71 0.00 0.00 39.64 37.17 1nqi n ILE 98 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1nqi n LYS 99 N -4.47 0.66 0.00 0.38 4.81 0.16 -5.08 118.16 114.61 1nqi n LYS 99 Ca -0.27 0.25 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 1nqi n LYS 99 Cb 0.58 -1.59 0.00 0.00 0.02 0.00 0.00 35.03 34.04 1nqi n LYS 99 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1nqi n GLY 100 N 1.91 0.94 0.30 3.14 0.00 0.09 -4.72 105.19 106.85 1nqi n GLY 100 Ca -0.42 -2.12 0.16 0.00 0.00 0.00 0.00 46.02 43.63 1nqi n GLY 100 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1nqi h ILE 101 N 0.00 0.49 0.00 -0.61 6.09 -1.87 -2.63 117.51 118.98 1nqi h ILE 101 Ca 0.00 -0.03 0.00 0.00 -1.37 0.00 0.00 64.86 63.46 1nqi h ILE 101 Cb 0.00 1.02 0.00 0.00 0.47 0.00 0.00 36.82 38.31 1nqi h ILE 101 CO 0.00 0.01 0.00 0.47 -3.07 0.00 0.00 178.15 175.56 1nqi n ASP 102 N -3.77 0.00 -0.17 2.19 10.43 -1.26 -1.04 116.55 122.92 1nqi n ASP 102 Ca -0.03 -0.78 -0.01 0.00 2.57 0.00 0.00 54.79 56.54 1nqi n ASP 102 Cb 0.09 0.00 0.23 0.00 1.84 0.00 0.00 41.12 43.28 1nqi n ASP 102 CO 0.00 0.00 0.00 0.22 -1.07 0.00 0.00 177.20 176.35 1nqi h TYR 103 N 0.00 0.89 -2.66 1.24 3.20 -1.78 -3.36 116.97 114.51 1nqi h TYR 103 Ca 0.00 -0.02 -0.64 0.00 3.14 0.00 0.00 58.73 61.21 1nqi h TYR 103 Cb 0.00 -0.28 -0.15 0.00 1.54 0.00 0.00 36.73 37.84 1nqi h TYR 103 CO 0.00 0.64 0.53 -1.58 -1.64 0.00 0.00 178.16 176.11 1nqi s TRP 104 N -5.55 2.71 -0.66 -3.82 0.51 -0.21 -4.91 118.94 107.01 1nqi s TRP 104 Ca -0.10 -0.62 0.14 0.00 -2.12 0.00 0.00 56.10 53.40 1nqi s TRP 104 Cb 0.17 -4.28 0.66 0.00 -0.81 0.00 0.00 33.47 29.21 1nqi s TRP 104 CO 0.79 -1.62 1.42 1.63 -0.51 0.00 0.00 176.95 178.66 1nqi n LYS 105 N 7.56 0.08 0.18 4.98 5.02 -1.26 -1.97 118.16 132.75 1nqi n LYS 105 Ca -0.03 0.48 0.06 0.00 -2.02 0.00 0.00 58.31 56.80 1nqi n LYS 105 Cb 0.45 -1.71 0.16 0.00 -0.02 0.00 0.00 35.03 33.92 1nqi n LYS 105 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nqi h ALA 106 N 2.15 0.82 0.65 7.82 0.00 -1.91 -3.38 119.26 125.40 1nqi h ALA 106 Ca 0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1nqi h ALA 106 Cb 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1nqi h ALA 106 CO 0.00 0.42 -0.50 -0.92 0.00 0.00 0.00 179.25 178.25 1nqi h TYR 107 N 0.00 -1.36 0.29 0.00 3.20 -1.73 -1.59 116.97 115.77 1nqi h TYR 107 Ca -0.00 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 1nqi h TYR 107 Cb 1.15 0.51 -0.01 0.00 1.54 0.00 0.00 36.73 39.92 1nqi h TYR 107 CO 0.00 -0.70 -0.22 -0.22 -1.64 0.00 0.00 178.16 175.38 1nqi h LYS 108 N -1.11 -0.49 -0.07 1.82 3.64 -1.79 -0.70 116.57 117.87 1nqi h LYS 108 Ca -0.08 0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.17 1nqi h LYS 108 Cb 0.92 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 1nqi h LYS 108 CO 0.02 -0.33 -0.67 -1.00 -2.27 0.00 0.00 179.45 175.20 1nqi h PRO 109 N -0.51 0.29 0.00 1.90 0.13 -1.76 -3.33 132.00 128.71 1nqi h PRO 109 Ca -0.02 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1nqi h PRO 109 Cb 0.45 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.62 1nqi h PRO 109 CO -0.01 0.85 -1.19 -1.33 -0.23 0.00 0.00 178.00 176.09 1nqi n MET 110 N -3.84 1.16 -1.62 0.86 2.81 -0.60 -4.68 117.12 111.21 1nqi n MET 110 Ca -0.03 -0.07 -0.05 0.00 -1.81 0.00 0.00 57.70 55.75 1nqi n MET 110 Cb 0.67 -1.32 0.09 0.00 -0.71 0.00 0.00 33.22 31.94 1nqi n MET 110 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1nqi n SER 112 N -0.58 1.14 -4.00 0.00 7.64 -1.24 -4.88 113.62 111.70 1nqi n SER 112 Ca 0.22 -1.07 -0.10 0.00 1.01 0.00 0.00 58.87 58.93 1nqi n SER 112 Cb 0.89 0.92 -0.06 0.00 -1.01 0.00 0.00 64.21 64.95 1nqi n SER 112 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1nqi s GLU 113 N -2.89 1.43 -1.15 1.43 -1.05 -1.26 -4.97 118.70 110.24 1nqi s GLU 113 Ca 0.09 -1.26 -0.15 0.00 -0.15 0.00 0.00 54.97 53.51 1nqi s GLU 113 Cb 0.16 0.43 -0.02 0.00 -0.44 0.00 0.00 34.13 34.26 1nqi s GLU 113 CO 0.81 -0.57 0.80 1.63 0.95 0.00 0.00 175.26 178.88 1nqi n LYS 114 N -0.34 -1.94 0.01 -4.83 5.02 -1.26 -4.93 118.16 109.89 1nqi n LYS 114 Ca -0.03 0.57 -0.09 0.00 -2.02 0.00 0.00 58.31 56.74 1nqi n LYS 114 Cb 0.63 -4.65 -0.13 0.00 -0.02 0.00 0.00 35.03 30.85 1nqi n LYS 114 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1nqi h LEU 115 N -1.71 0.04 -1.47 -0.35 3.38 -1.93 -3.37 115.31 109.91 1nqi h LEU 115 Ca -0.65 -0.07 0.17 0.00 0.09 0.00 0.00 57.88 57.43 1nqi h LEU 115 Cb 1.35 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 42.02 1nqi h LEU 115 CO 0.49 1.06 0.56 -0.08 0.09 0.00 0.00 178.44 180.56 1nqi h GLU 116 N 0.01 0.47 0.00 1.13 4.57 -1.96 0.13 114.58 118.93 1nqi h GLU 116 Ca -0.21 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 57.94 1nqi h GLU 116 Cb 1.94 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 30.43 1nqi h GLU 116 CO 0.10 0.31 -0.00 -0.56 -1.18 0.00 0.00 179.01 177.68 1nqi h GLN 117 N 0.48 0.00 -0.00 1.92 3.07 -1.99 -2.38 115.11 116.22 1nqi h GLN 117 Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.18 1nqi h GLN 117 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.52 1nqi h GLN 117 CO -0.17 0.00 -0.02 0.91 0.09 0.00 0.00 178.83 179.64 1nqi n TRP 118 N -3.68 0.00 -2.30 0.06 7.02 0.45 -4.88 117.44 114.11 1nqi n TRP 118 Ca -0.03 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.08 1nqi n TRP 118 Cb 0.08 -0.10 -0.02 0.00 -2.42 0.00 0.00 31.31 28.86 1nqi n TRP 118 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 1nqi s ARG 119 N -2.22 3.89 -0.33 -0.99 3.52 -0.90 -4.77 118.95 117.15 1nqi s ARG 119 Ca 0.39 1.76 -0.06 0.00 -0.13 0.00 0.00 55.73 57.68 1nqi s ARG 119 Cb 0.21 -2.50 0.04 0.00 -1.56 0.00 0.00 34.95 31.14 1nqi s ARG 119 CO 0.41 -0.44 0.09 0.00 -0.81 0.00 0.00 175.30 174.55 1nqi n GLU 121 N 4.80 0.13 -2.20 0.00 -0.58 -1.26 -4.82 120.64 116.72 1nqi n GLU 121 Ca -0.13 0.11 -0.42 0.00 -0.42 0.00 0.00 57.16 56.30 1nqi n GLU 121 Cb 0.45 -1.66 -0.03 0.00 -0.57 0.00 0.00 31.44 29.64 1nqi n GLU 121 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1nqi s LYS 122 N -3.05 4.26 0.00 3.49 2.20 -1.26 -5.26 119.74 120.12 1nqi s LYS 122 Ca 0.12 1.99 0.04 0.00 -0.36 0.00 0.00 55.97 57.76 1nqi s LYS 122 Cb 0.16 -3.65 0.24 0.00 -1.51 0.00 0.00 37.83 33.06 1nqi s LYS 122 CO 0.56 -0.63 0.71 -2.30 -0.36 0.00 0.00 175.35 173.33