#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 3.19 0.69 -2.82 2.02 -1.26 -1.64 118.70 118.88 1nqi s GLU 2 Ca 0.00 -0.62 -0.11 0.00 0.02 0.00 0.00 54.97 54.26 1nqi s GLU 2 Cb 0.00 -4.16 0.00 0.00 0.10 0.00 0.00 34.13 30.07 1nqi s GLU 2 CO 0.00 -1.69 1.06 -0.51 0.02 0.00 0.00 175.26 174.14 1nqi s LEU 3 N 4.02 3.09 0.47 1.80 1.43 -0.18 -4.98 118.68 124.33 1nqi s LEU 3 Ca 0.25 1.53 -0.02 0.00 -1.03 0.00 0.00 54.13 54.85 1nqi s LEU 3 Cb -0.15 -4.41 -0.02 0.00 0.03 0.00 0.00 46.19 41.64 1nqi s LEU 3 CO 0.13 -1.36 0.73 0.42 0.23 0.00 0.00 176.35 176.50 1nqi s THR 4 N -3.10 4.38 0.29 5.49 -4.23 -1.26 -4.80 115.64 112.42 1nqi s THR 4 Ca 0.58 -0.20 -0.01 0.00 -1.18 0.00 0.00 61.69 60.88 1nqi s THR 4 Cb -0.13 -3.65 0.28 0.00 1.34 0.00 0.00 72.50 70.33 1nqi s THR 4 CO 0.55 -0.54 1.91 0.50 -0.54 0.00 0.00 174.62 176.49 1nqi h LYS 5 N 0.30 1.07 -0.36 3.99 3.64 -1.98 -1.95 116.57 121.27 1nqi h LYS 5 Ca -0.47 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 58.75 1nqi h LYS 5 Cb 1.23 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 1nqi h LYS 5 CO 0.60 0.71 -0.14 0.00 -2.27 0.00 0.00 179.45 178.35 1nqi h LYS 7 N 0.53 0.19 0.09 0.00 1.57 -1.84 -0.48 116.57 116.63 1nqi h LYS 7 Ca 0.09 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1nqi h LYS 7 Cb 0.67 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1nqi h LYS 7 CO 0.05 0.13 -0.05 0.28 -0.57 0.00 0.00 179.45 179.29 1nqi h VAL 8 N 0.20 1.00 -0.59 0.50 2.07 -1.26 -1.17 116.25 117.00 1nqi h VAL 8 Ca 0.20 -0.32 0.06 0.00 0.82 0.00 0.00 66.70 67.47 1nqi h VAL 8 Cb 0.25 1.20 -0.06 0.00 -1.52 0.00 0.00 31.29 31.17 1nqi h VAL 8 CO -0.27 0.08 0.28 0.28 0.02 0.00 0.00 177.57 177.96 1nqi h SER 9 N -0.27 0.38 -0.63 0.57 0.02 -0.75 0.14 113.55 113.01 1nqi h SER 9 Ca -0.01 0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 60.90 1nqi h SER 9 Cb 0.23 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 1nqi h SER 9 CO 0.02 0.24 0.09 -0.74 -1.14 0.00 0.00 176.83 175.31 1nqi h HIS 10 N 0.52 1.12 -0.02 3.45 6.17 -1.03 -2.96 115.15 122.40 1nqi h HIS 10 Ca 0.27 -0.16 -0.15 0.00 0.71 0.00 0.00 60.37 61.05 1nqi h HIS 10 Cb 0.23 -0.30 -0.02 0.00 2.52 0.00 0.00 27.41 29.84 1nqi h HIS 10 CO -0.11 0.95 -0.66 0.00 0.71 0.00 0.00 177.93 178.82 1nqi h ALA 11 N 1.03 0.86 -0.51 5.26 0.00 -0.39 -3.09 119.26 122.42 1nqi h ALA 11 Ca 0.19 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1nqi h ALA 11 Cb 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1nqi h ALA 11 CO 0.01 0.79 0.00 0.44 0.00 0.00 0.00 179.25 180.50 1nqi n ILE 12 N -3.79 0.93 -0.32 0.00 -5.35 -0.04 -4.56 119.36 106.23 1nqi n ILE 12 Ca -0.02 -0.76 0.28 0.00 -0.27 0.00 0.00 62.75 61.98 1nqi n ILE 12 Cb 0.65 0.23 0.52 0.00 -1.74 0.00 0.00 39.64 39.30 1nqi n ILE 12 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 1nqi h LYS 13 N 3.05 0.05 0.00 6.28 1.79 -1.43 0.32 116.57 126.63 1nqi h LYS 13 Ca 0.00 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1nqi h LYS 13 Cb 0.86 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.50 1nqi h LYS 13 CO 0.06 0.03 0.00 -3.47 -1.08 0.00 0.00 179.45 174.99 1nqi n ASP 14 N -5.27 0.00 -0.29 0.86 -0.08 -1.26 -2.24 116.55 108.27 1nqi n ASP 14 Ca 0.35 0.27 0.12 0.00 -1.51 0.00 0.00 54.79 54.01 1nqi n ASP 14 Cb 1.15 -0.38 0.19 0.00 2.34 0.00 0.00 41.12 44.42 1nqi n ASP 14 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1nqi n ILE 15 N -1.38 0.00 -1.61 5.18 3.06 0.11 -4.90 119.36 119.82 1nqi n ILE 15 Ca 0.05 -0.15 -0.46 0.00 -2.50 0.00 0.00 62.75 59.69 1nqi n ILE 15 Cb 0.13 0.74 -0.04 0.00 0.54 0.00 0.00 39.64 41.01 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 -0.58 3.31 0.00 9.51 -0.08 -0.95 -2.11 116.55 125.65 1nqi n ASP 16 Ca 0.10 0.63 0.00 0.00 -1.51 0.00 0.00 54.79 54.01 1nqi n ASP 16 Cb 0.39 -1.44 0.00 0.00 2.34 0.00 0.00 41.12 42.41 1nqi n ASP 16 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1nqi n GLY 17 N 5.21 2.57 3.75 0.27 0.00 0.24 -4.99 105.19 112.25 1nqi n GLY 17 Ca 0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.00 2.85 -1.22 1.61 9.36 -0.90 -0.20 117.16 126.67 1nqi n TYR 18 Ca 0.00 0.27 -0.10 0.00 3.32 0.00 0.00 57.90 61.39 1nqi n TYR 18 Cb 0.00 -2.59 -0.04 0.00 -0.63 0.00 0.00 39.34 36.08 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 2.07 -1.69 -1.15 2.98 -0.06 -1.26 -1.32 117.38 116.94 1nqi n GLN 19 Ca 0.08 0.77 -0.05 0.00 -2.00 0.00 0.00 57.00 55.80 1nqi n GLN 19 Cb 0.37 -5.07 -0.02 0.00 -4.06 0.00 0.00 30.24 21.46 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 0.24 0.78 3.65 1.69 0.00 0.72 -5.00 105.19 107.27 1nqi n GLY 20 Ca -0.10 -0.75 -0.37 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.17 5.30 0.61 -0.61 -1.09 -0.43 -4.90 121.20 117.91 1nqi s ILE 21 Ca 0.00 0.16 -0.08 0.00 -2.23 0.00 0.00 60.65 58.51 1nqi s ILE 21 Cb 0.00 -3.48 0.00 0.00 -1.58 0.00 0.00 42.46 37.40 1nqi s ILE 21 CO 0.00 0.34 0.95 -0.94 -1.23 0.00 0.00 174.94 174.06 1nqi s SER 22 N 1.13 5.68 0.38 3.58 1.04 -1.26 -0.59 113.70 123.66 1nqi s SER 22 Ca 0.07 0.89 0.05 0.00 0.48 0.00 0.00 55.95 57.45 1nqi s SER 22 Cb -0.14 -1.88 0.77 0.00 0.10 0.00 0.00 66.02 64.87 1nqi s SER 22 CO 0.05 -1.07 2.02 -0.07 0.98 0.00 0.00 173.24 175.16 1nqi h LEU 23 N -0.26 0.59 -0.36 2.42 3.38 -1.94 -0.06 115.31 119.09 1nqi h LEU 23 Ca -0.45 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.49 1nqi h LEU 23 Cb 1.24 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 1nqi h LEU 23 CO 0.62 0.42 0.16 -0.07 0.09 0.00 0.00 178.44 179.65 1nqi h LEU 24 N 0.69 0.48 -0.94 1.67 3.38 -1.90 0.12 115.31 118.81 1nqi h LEU 24 Ca 0.21 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1nqi h LEU 24 Cb 0.01 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1nqi h LEU 24 CO -0.05 0.50 0.47 -0.33 0.09 0.00 0.00 178.44 179.12 1nqi h GLU 25 N 0.44 1.22 -0.48 1.13 5.08 -1.64 -2.56 114.58 117.77 1nqi h GLU 25 Ca 0.12 -0.14 -0.14 0.00 -1.00 0.00 0.00 59.36 58.20 1nqi h GLU 25 Cb 0.15 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1nqi h GLU 25 CO -0.01 0.90 -0.23 -1.49 -1.00 0.00 0.00 179.01 177.17 1nqi h TRP 26 N 1.22 1.15 -0.79 4.33 4.06 -0.58 0.11 115.95 125.45 1nqi h TRP 26 Ca 0.31 -0.29 0.00 0.00 2.06 0.00 0.00 58.89 60.97 1nqi h TRP 26 Cb 0.04 -0.27 -0.04 0.00 -1.00 0.00 0.00 29.16 27.89 1nqi h TRP 26 CO 0.01 1.12 0.50 0.00 -3.56 0.00 0.00 178.44 176.51 1nqi h ALA 27 N 0.86 1.40 0.07 1.49 0.00 -0.83 0.11 119.26 122.35 1nqi h ALA 27 Ca 0.11 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1nqi h ALA 27 Cb 0.81 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1nqi h ALA 27 CO 0.07 0.54 -0.03 0.00 0.00 0.00 0.00 179.25 179.83 1nqi h VAL 29 N -0.51 0.77 -0.70 0.00 2.07 -0.24 -2.44 116.25 115.20 1nqi h VAL 29 Ca -0.01 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 1nqi h VAL 29 Cb 0.44 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 1nqi h VAL 29 CO 0.02 0.00 0.32 -0.07 0.02 0.00 0.00 177.57 177.85 1nqi h LEU 30 N -0.08 0.91 -0.24 2.57 3.38 -0.86 0.16 115.31 121.15 1nqi h LEU 30 Ca 0.07 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1nqi h LEU 30 Cb 0.18 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1nqi h LEU 30 CO -0.16 0.79 0.16 0.15 0.09 0.00 0.00 178.44 179.47 1nqi h PHE 31 N 1.00 0.30 0.00 1.13 3.57 -1.17 -0.97 116.94 120.79 1nqi h PHE 31 Ca 0.24 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.75 1nqi h PHE 31 Cb 0.13 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.77 1nqi h PHE 31 CO 0.01 0.19 0.00 0.72 -2.23 0.00 0.00 178.31 177.00 1nqi n HIS 32 N -4.92 0.79 -0.01 0.41 8.25 -0.94 -0.15 115.22 118.65 1nqi n HIS 32 Ca -0.03 0.25 -0.21 0.00 -0.26 0.00 0.00 57.72 57.47 1nqi n HIS 32 Cb 0.03 -0.91 -0.13 0.00 1.12 0.00 0.00 29.99 30.10 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 1.06 0.00 1.59 2.02 -0.27 -3.43 112.91 113.87 1nqi h THR 33 Ca 0.00 -2.37 0.00 0.00 0.77 0.00 0.00 66.41 64.81 1nqi h THR 33 Cb 0.61 2.70 0.00 0.00 -1.74 0.00 0.00 68.15 69.72 1nqi h THR 33 CO 0.00 0.65 0.00 -1.54 0.37 0.00 0.00 175.52 175.00 1nqi n SER 34 N -4.02 0.29 -1.10 4.18 3.41 -0.41 -4.88 113.62 111.09 1nqi n SER 34 Ca -0.25 -1.05 -0.14 0.00 -0.26 0.00 0.00 58.87 57.17 1nqi n SER 34 Cb 0.85 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.74 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 -0.03 1.32 2.38 5.00 0.00 0.79 -1.72 105.19 112.93 1nqi n GLY 35 Ca 0.00 -0.37 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.71 0.00 -2.86 1.61 4.01 -1.23 -4.72 117.16 111.27 1nqi n TYR 36 Ca -0.14 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.17 1nqi n TYR 36 Cb 0.47 -2.21 -0.04 0.00 -0.31 0.00 0.00 39.34 37.25 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 -2.81 6.23 0.35 7.72 -1.08 -0.70 -1.01 116.67 125.36 1nqi s ASP 37 Ca 0.00 -0.78 0.24 0.00 -0.52 0.00 0.00 52.55 51.49 1nqi s ASP 37 Cb 0.00 -2.42 1.28 0.00 -1.46 0.00 0.00 42.92 40.32 1nqi s ASP 37 CO 0.00 -1.36 1.72 0.71 0.52 0.00 0.00 175.17 176.76 1nqi h THR 38 N 5.98 0.00 -0.42 1.71 1.35 -1.63 -2.16 112.91 117.74 1nqi h THR 38 Ca -0.28 -0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 1nqi h THR 38 Cb 1.07 0.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 1nqi h THR 38 CO 1.14 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.41 1nqi n GLN 39 N -2.33 2.89 -1.72 4.72 6.02 -1.26 -4.04 117.38 121.66 1nqi n GLN 39 Ca -0.02 -2.24 -0.43 0.00 -0.01 0.00 0.00 57.00 54.31 1nqi n GLN 39 Cb 0.04 -1.38 -0.02 0.00 1.02 0.00 0.00 30.24 29.90 1nqi n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1nqi n ALA 40 N 0.66 2.08 -3.78 -1.58 0.00 -0.81 -4.72 120.51 112.36 1nqi n ALA 40 Ca 0.15 0.38 -0.25 0.00 0.00 0.00 0.00 53.44 53.72 1nqi n ALA 40 Cb 0.51 -2.40 -0.17 0.00 0.00 0.00 0.00 19.45 17.39 1nqi n ALA 40 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1nqi s VAL 41 N -0.03 0.53 -0.03 0.00 1.01 -1.26 -0.78 120.40 119.84 1nqi s VAL 41 Ca 0.65 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.47 1nqi s VAL 41 Cb -0.55 -0.79 0.01 0.00 0.00 0.00 0.00 36.38 35.05 1nqi s VAL 41 CO 0.49 0.11 -0.08 -0.69 0.00 0.00 0.00 175.10 174.93 1nqi s VAL 42 N 1.89 0.71 0.36 2.92 1.01 -0.84 -4.97 120.40 121.48 1nqi s VAL 42 Ca 0.03 -0.29 -0.25 0.00 0.00 0.00 0.00 61.98 61.48 1nqi s VAL 42 Cb -0.14 -0.67 -0.10 0.00 0.00 0.00 0.00 36.38 35.47 1nqi s VAL 42 CO -0.07 0.24 0.96 0.20 0.00 0.00 0.00 175.10 176.44 1nqi s ASN 43 N 0.46 7.17 -0.23 3.32 0.01 -1.26 -0.40 114.94 124.01 1nqi s ASN 43 Ca -0.07 1.83 -0.03 0.00 -0.71 0.00 0.00 52.86 53.88 1nqi s ASN 43 Cb -0.11 -2.57 0.11 0.00 0.41 0.00 0.00 41.25 39.09 1nqi s ASN 43 CO 0.01 -0.19 0.29 -0.62 -1.51 0.00 0.00 177.10 175.08 1nqi s ASP 44 N -1.73 0.93 -0.90 -1.22 -1.08 0.36 -4.93 116.67 108.10 1nqi s ASP 44 Ca 0.54 -0.08 -0.23 0.00 -0.52 0.00 0.00 52.55 52.25 1nqi s ASP 44 Cb -0.17 0.69 0.03 0.00 -1.46 0.00 0.00 42.92 42.02 1nqi s ASP 44 CO 0.22 -0.32 0.52 -3.20 0.52 0.00 0.00 175.17 172.91 1nqi n ASN 45 N 5.34 -3.30 0.00 -0.34 4.05 -1.26 0.22 115.26 119.97 1nqi n ASN 45 Ca -0.04 -0.99 0.00 0.00 0.45 0.00 0.00 54.58 54.00 1nqi n ASN 45 Cb 0.50 -1.24 0.00 0.00 1.23 0.00 0.00 39.78 40.27 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 -1.78 2.37 3.78 8.20 0.00 -1.26 -5.01 105.19 111.50 1nqi n GLY 46 Ca -0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 1nqi n GLY 46 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nqi s SER 47 N -3.67 4.73 -0.05 1.61 0.01 0.13 -5.05 113.70 111.41 1nqi s SER 47 Ca 0.00 -0.86 0.03 0.00 1.31 0.00 0.00 55.95 56.43 1nqi s SER 47 Cb 0.00 -0.60 0.01 0.00 0.21 0.00 0.00 66.02 65.63 1nqi s SER 47 CO 0.00 -0.50 -0.13 -0.89 0.41 0.00 0.00 173.24 172.13 1nqi s THR 48 N -2.50 1.14 -0.11 1.44 2.01 -1.26 -0.49 115.64 115.87 1nqi s THR 48 Ca 0.42 -0.52 -0.02 0.00 0.31 0.00 0.00 61.69 61.89 1nqi s THR 48 Cb -0.01 -1.02 -0.03 0.00 0.01 0.00 0.00 72.50 71.46 1nqi s THR 48 CO 0.24 0.35 -0.04 -1.61 -0.69 0.00 0.00 174.62 172.88 1nqi s GLU 49 N 0.40 3.20 -0.07 4.92 2.02 0.47 -1.42 118.70 128.22 1nqi s GLU 49 Ca -0.09 -0.50 0.04 0.00 0.02 0.00 0.00 54.97 54.44 1nqi s GLU 49 Cb -0.13 -2.78 -0.02 0.00 0.10 0.00 0.00 34.13 31.30 1nqi s GLU 49 CO 0.03 0.50 -0.18 0.71 0.02 0.00 0.00 175.26 176.34 1nqi s TYR 50 N -0.34 2.63 0.00 1.61 1.51 0.50 -1.98 117.35 121.28 1nqi s TYR 50 Ca 0.06 -0.44 0.00 0.00 -1.01 0.00 0.00 57.07 55.68 1nqi s TYR 50 Cb -0.12 -1.66 0.00 0.00 -0.11 0.00 0.00 41.96 40.07 1nqi s TYR 50 CO 0.02 -0.03 0.00 0.41 -1.11 0.00 0.00 175.55 174.84 1nqi n GLY 51 N 2.76 -0.52 0.25 0.71 0.00 0.04 -1.81 105.19 106.62 1nqi n GLY 51 Ca -0.17 -1.08 0.03 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.06 -0.44 0.99 5.85 -1.70 -1.67 115.31 118.28 1nqi h LEU 52 Ca 0.00 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1nqi h LEU 52 Cb 0.00 0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1nqi h LEU 52 CO 0.00 -0.04 -0.18 0.49 -0.34 0.00 0.00 178.44 178.37 1nqi n PHE 53 N -5.18 0.00 -3.82 1.25 3.72 -1.26 -4.17 117.46 108.00 1nqi n PHE 53 Ca 0.11 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.15 1nqi n PHE 53 Cb 0.39 -0.13 0.03 0.00 -0.94 0.00 0.00 39.48 38.84 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 -0.68 -0.99 -2.81 -1.08 1.13 -0.63 -4.94 117.38 107.38 1nqi n GLN 54 Ca 0.14 0.33 -0.41 0.00 -1.94 0.00 0.00 57.00 55.11 1nqi n GLN 54 Cb 0.32 -3.63 -0.03 0.00 0.11 0.00 0.00 30.24 27.01 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 -3.51 4.92 0.28 5.09 1.01 -0.75 -4.42 121.20 123.82 1nqi s ILE 55 Ca 0.46 1.87 -0.20 0.00 0.00 0.00 0.00 60.65 62.78 1nqi s ILE 55 Cb -0.19 -4.23 -0.09 0.00 0.01 0.00 0.00 42.46 37.95 1nqi s ILE 55 CO 0.90 0.18 0.78 -0.55 0.00 0.00 0.00 174.94 176.25 1nqi s SER 56 N 0.95 7.02 0.00 3.58 0.15 -1.26 -0.37 113.70 123.77 1nqi s SER 56 Ca 0.47 1.48 0.29 0.00 0.70 0.00 0.00 55.95 58.88 1nqi s SER 56 Cb -0.20 -2.44 1.17 0.00 -1.71 0.00 0.00 66.02 62.84 1nqi s SER 56 CO 0.24 -0.08 1.86 -0.90 1.20 0.00 0.00 173.24 175.57 1nqi n ASP 57 N 0.31 0.16 -0.12 5.45 5.68 -0.51 -2.13 116.55 125.39 1nqi n ASP 57 Ca 0.01 0.08 -0.08 0.00 -0.50 0.00 0.00 54.79 54.29 1nqi n ASP 57 Cb 0.52 -0.27 0.00 0.00 -1.14 0.00 0.00 41.12 40.23 1nqi n ASP 57 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1nqi h ARG 58 N 0.10 0.48 0.00 0.11 2.43 -1.82 -3.40 114.38 112.27 1nqi h ARG 58 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1nqi h ARG 58 Cb 0.43 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1nqi h ARG 58 CO 0.00 0.32 -0.41 1.19 -1.51 0.00 0.00 179.97 179.56 1nqi n PHE 59 N -4.84 0.00 -0.10 2.20 3.72 -1.25 -4.30 117.46 112.89 1nqi n PHE 59 Ca 0.00 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.18 1nqi n PHE 59 Cb 0.04 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.46 1nqi n PHE 59 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 176.76 177.62 1nqi n TRP 60 N -0.96 0.90 -4.45 1.38 7.02 -0.98 -0.24 117.44 120.10 1nqi n TRP 60 Ca 0.00 0.35 -0.25 0.00 -1.02 0.00 0.00 57.50 56.59 1nqi n TRP 60 Cb 0.14 -1.09 -0.10 0.00 -2.42 0.00 0.00 31.31 27.84 1nqi n TRP 60 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1nqi s LYS 62 N -3.61 4.07 0.03 0.00 2.20 0.27 -4.40 119.74 118.30 1nqi s LYS 62 Ca 0.32 0.11 -0.25 0.00 -0.36 0.00 0.00 55.97 55.79 1nqi s LYS 62 Cb -0.01 -3.62 -0.05 0.00 -1.51 0.00 0.00 37.83 32.64 1nqi s LYS 62 CO 0.17 -0.20 0.77 -1.54 -0.36 0.00 0.00 175.35 174.19 1nqi s SER 63 N 1.43 7.19 0.00 1.43 1.04 -1.26 -0.63 113.70 122.89 1nqi s SER 63 Ca 0.17 1.42 0.22 0.00 0.48 0.00 0.00 55.95 58.24 1nqi s SER 63 Cb -0.15 -2.47 1.33 0.00 0.10 0.00 0.00 66.02 64.83 1nqi s SER 63 CO 0.09 -0.02 1.73 -1.54 0.98 0.00 0.00 173.24 174.48 1nqi n SER 64 N 3.02 0.00 0.12 7.02 3.41 -1.26 -2.90 113.62 123.03 1nqi n SER 64 Ca -0.02 -0.85 -0.24 0.00 -0.26 0.00 0.00 58.87 57.50 1nqi n SER 64 Cb 0.50 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.30 1nqi n SER 64 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1nqi h GLU 65 N 0.00 0.49 -3.48 4.33 4.22 -2.04 -3.48 114.58 114.62 1nqi h GLU 65 Ca 0.00 -0.83 -0.06 0.00 0.08 0.00 0.00 59.36 58.55 1nqi h GLU 65 Cb 0.00 0.31 -0.13 0.00 0.50 0.00 0.00 28.75 29.43 1nqi h GLU 65 CO 0.00 1.40 -0.14 -0.59 -2.18 0.00 0.00 179.01 177.50 1nqi s PHE 66 N -2.58 -0.13 -1.99 0.92 -0.12 -1.14 -5.13 117.98 107.82 1nqi s PHE 66 Ca -0.11 -0.22 0.23 0.00 -0.05 0.00 0.00 56.93 56.78 1nqi s PHE 66 Cb 0.04 0.19 1.39 0.00 -0.63 0.00 0.00 43.02 44.01 1nqi s PHE 66 CO 0.91 -0.67 1.76 -0.35 -0.05 0.00 0.00 175.22 176.82 1nqi n PRO 67 N -0.19 0.72 -0.18 1.99 -0.04 -1.26 -4.40 135.00 131.64 1nqi n PRO 67 Ca -0.16 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.36 1nqi n PRO 67 Cb 0.63 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.74 1nqi n PRO 67 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1nqi n GLU 68 N -1.00 2.59 -1.49 0.54 0.28 -1.26 -5.05 120.64 115.24 1nqi n GLU 68 Ca 0.17 -2.24 -0.33 0.00 -0.16 0.00 0.00 57.16 54.60 1nqi n GLU 68 Cb 0.08 -1.41 0.08 0.00 1.43 0.00 0.00 31.44 31.62 1nqi n GLU 68 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1nqi s SER 69 N -1.64 4.61 0.51 -1.84 0.15 -1.26 -4.86 113.70 109.36 1nqi s SER 69 Ca 0.25 2.04 0.26 0.00 0.70 0.00 0.00 55.95 59.20 1nqi s SER 69 Cb 0.18 -2.55 1.38 0.00 -1.71 0.00 0.00 66.02 63.32 1nqi s SER 69 CO 0.07 -1.97 2.05 -0.33 1.20 0.00 0.00 173.24 174.26 1nqi h GLU 70 N -0.45 0.00 -6.52 5.44 3.07 -1.75 -3.46 114.58 110.91 1nqi h GLU 70 Ca -0.46 0.00 -0.50 0.00 -0.50 0.00 0.00 59.36 57.90 1nqi h GLU 70 Cb 1.25 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 29.11 1nqi h GLU 70 CO 0.52 0.13 -0.89 -1.71 -1.40 0.00 0.00 179.01 175.66 1nqi n ASN 71 N -3.67 -0.25 -0.31 1.42 4.05 -0.95 -4.81 115.26 110.74 1nqi n ASN 71 Ca -0.02 -1.02 0.13 0.00 0.45 0.00 0.00 54.58 54.13 1nqi n ASN 71 Cb 0.25 -3.00 0.31 0.00 1.23 0.00 0.00 39.78 38.58 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 -1.83 0.49 0.00 -1.44 2.04 -0.50 0.19 117.51 116.46 1nqi h ILE 72 Ca -0.63 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.08 1nqi h ILE 72 Cb 1.38 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1nqi h ILE 72 CO 0.63 0.08 0.00 0.00 0.00 0.00 0.00 178.15 178.85 1nqi n GLY 74 N 0.08 -0.26 3.11 0.00 0.00 0.65 -4.93 105.19 103.84 1nqi n GLY 74 Ca 0.03 0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.28 0.03 0.27 -0.61 1.10 -1.26 -5.06 121.20 112.39 1nqi s ILE 75 Ca 0.25 -0.27 -0.29 0.00 -0.51 0.00 0.00 60.65 59.83 1nqi s ILE 75 Cb -0.11 -0.37 -0.09 0.00 0.15 0.00 0.00 42.46 42.04 1nqi s ILE 75 CO 0.61 -0.15 1.22 -0.55 -2.11 0.00 0.00 174.94 173.96 1nqi s SER 76 N -0.51 7.01 0.52 4.50 0.15 -1.26 -0.56 113.70 123.55 1nqi s SER 76 Ca -0.06 2.43 0.21 0.00 0.70 0.00 0.00 55.95 59.23 1nqi s SER 76 Cb -0.04 -2.63 1.38 0.00 -1.71 0.00 0.00 66.02 63.02 1nqi s SER 76 CO 0.01 -0.37 2.12 0.00 1.20 0.00 0.00 173.24 176.20 1nqi h ASP 78 N 0.00 0.00 0.42 0.00 3.32 -1.90 -1.14 116.42 117.12 1nqi h ASP 78 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1nqi h ASP 78 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1nqi h ASP 78 CO 0.01 0.09 0.00 0.29 -1.72 0.00 0.00 179.24 177.91 1nqi n LYS 79 N -3.62 0.30 -0.30 3.56 4.76 -0.20 -1.94 118.16 120.72 1nqi n LYS 79 Ca -0.02 0.08 0.12 0.00 -2.87 0.00 0.00 58.31 55.62 1nqi n LYS 79 Cb 0.21 -1.50 0.28 0.00 -1.84 0.00 0.00 35.03 32.18 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 -1.29 3.76 -1.07 -0.35 4.77 -0.43 -4.18 117.00 118.20 1nqi n LEU 80 Ca 0.10 -1.83 0.08 0.00 -0.03 0.00 0.00 56.01 54.34 1nqi n LEU 80 Cb 0.18 -0.40 0.28 0.00 -2.33 0.00 0.00 43.42 41.15 1nqi n LEU 80 CO 0.17 0.90 0.74 0.18 -1.33 0.00 0.00 177.39 178.04 1nqi n LEU 81 N 1.56 4.19 0.00 2.23 4.77 -0.82 -3.50 117.00 125.43 1nqi n LEU 81 Ca 0.22 -2.94 -0.04 0.00 -0.03 0.00 0.00 56.01 53.22 1nqi n LEU 81 Cb 0.61 -0.55 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 1nqi n LEU 81 CO 0.16 0.67 -0.03 -0.90 -1.33 0.00 0.00 177.39 175.97 1nqi n ASP 82 N -0.22 2.04 -0.80 -1.43 5.68 -1.26 -4.58 116.55 115.98 1nqi n ASP 82 Ca 0.22 -1.29 0.12 0.00 -0.50 0.00 0.00 54.79 53.34 1nqi n ASP 82 Cb 0.92 0.04 0.29 0.00 -1.14 0.00 0.00 41.12 41.24 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 -1.19 2.45 -4.41 -1.12 9.92 -1.26 -4.70 116.55 116.24 1nqi n ASP 83 Ca -0.02 -1.81 -0.44 0.00 -0.53 0.00 0.00 54.79 51.98 1nqi n ASP 83 Cb 0.09 -0.09 -0.05 0.00 -0.64 0.00 0.00 41.12 40.43 1nqi n ASP 83 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1nqi s GLU 84 N -1.82 3.08 0.00 -1.24 0.41 -1.26 -4.92 118.70 112.95 1nqi s GLU 84 Ca 0.34 -1.12 0.28 0.00 -0.41 0.00 0.00 54.97 54.06 1nqi s GLU 84 Cb 0.20 -4.23 1.14 0.00 -1.78 0.00 0.00 34.13 29.46 1nqi s GLU 84 CO 0.30 -1.57 1.81 1.28 -0.49 0.00 0.00 175.26 176.60 1nqi n LEU 85 N 6.67 0.49 -0.05 1.80 4.32 -1.26 -4.29 117.00 124.68 1nqi n LEU 85 Ca -0.07 0.01 -0.02 0.00 -0.02 0.00 0.00 56.01 55.91 1nqi n LEU 85 Cb 0.44 -0.20 0.22 0.00 -1.62 0.00 0.00 43.42 42.26 1nqi n LEU 85 CO 0.59 0.09 0.89 0.44 -1.22 0.00 0.00 177.39 178.19 1nqi h ASP 86 N 0.55 0.61 0.81 -1.43 3.45 -1.91 -0.14 116.42 118.37 1nqi h ASP 86 Ca 0.00 -0.14 -0.14 0.00 0.43 0.00 0.00 57.03 57.18 1nqi h ASP 86 Cb 0.39 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 38.98 1nqi h ASP 86 CO 0.00 0.70 -0.69 -2.24 -1.57 0.00 0.00 179.24 175.45 1nqi h ASP 87 N 0.60 0.00 -0.51 6.45 3.04 -1.92 -1.86 116.42 122.23 1nqi h ASP 87 Ca 0.12 0.00 -0.05 0.00 -3.24 0.00 0.00 57.03 53.86 1nqi h ASP 87 Cb 0.42 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.69 1nqi h ASP 87 CO 0.02 0.69 0.11 0.44 -2.04 0.00 0.00 179.24 178.46 1nqi h ASP 88 N 0.00 0.78 -0.58 4.15 3.45 -1.65 -2.13 116.42 120.45 1nqi h ASP 88 Ca -0.01 -0.24 -0.08 0.00 0.43 0.00 0.00 57.03 57.13 1nqi h ASP 88 Cb 1.28 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 39.82 1nqi h ASP 88 CO 0.09 0.82 0.05 0.40 -1.57 0.00 0.00 179.24 179.03 1nqi h ILE 89 N 0.71 1.26 -0.71 0.35 2.04 -0.92 0.53 117.51 120.77 1nqi h ILE 89 Ca 0.16 -1.06 -0.00 0.00 1.00 0.00 0.00 64.86 64.95 1nqi h ILE 89 Cb 0.35 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 1nqi h ILE 89 CO 0.00 0.39 0.44 0.00 0.00 0.00 0.00 178.15 178.99 1nqi h ALA 90 N 1.10 0.91 -0.30 1.87 0.00 -1.21 -0.20 119.26 121.42 1nqi h ALA 90 Ca 0.18 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1nqi h ALA 90 Cb 0.48 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1nqi h ALA 90 CO 0.02 0.36 -0.16 0.00 0.00 0.00 0.00 179.25 179.47 1nqi h ALA 92 N 0.75 1.49 -0.64 0.00 0.00 -0.54 -0.29 119.26 120.02 1nqi h ALA 92 Ca 0.06 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1nqi h ALA 92 Cb 0.69 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1nqi h ALA 92 CO 0.05 0.24 0.18 0.87 0.00 0.00 0.00 179.25 180.58 1nqi h LYS 93 N 1.00 0.99 -0.50 0.00 1.57 -0.86 -0.20 116.57 118.56 1nqi h LYS 93 Ca 0.49 -0.21 -0.06 0.00 -1.87 0.00 0.00 60.65 59.00 1nqi h LYS 93 Cb 0.46 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1nqi h LYS 93 CO -0.26 0.86 0.08 0.87 -0.57 0.00 0.00 179.45 180.43 1nqi h LYS 94 N 0.95 0.83 -0.53 3.15 1.57 -0.82 0.11 116.57 121.82 1nqi h LYS 94 Ca 0.21 -0.23 0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1nqi h LYS 94 Cb 0.30 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 1nqi h LYS 94 CO -0.00 0.83 0.29 0.82 -0.57 0.00 0.00 179.45 180.81 1nqi h ILE 95 N 0.71 0.99 -0.22 1.86 2.04 -0.85 0.77 117.51 122.80 1nqi h ILE 95 Ca 0.15 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 1nqi h ILE 95 Cb 0.40 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1nqi h ILE 95 CO 0.01 0.10 0.13 -0.07 0.00 0.00 0.00 178.15 178.33 1nqi h LEU 96 N 0.57 0.27 -1.49 1.44 3.38 -0.55 0.51 115.31 119.44 1nqi h LEU 96 Ca 0.23 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 1nqi h LEU 96 Cb 0.10 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1nqi h LEU 96 CO -0.14 0.25 -0.26 0.00 0.09 0.00 0.00 178.44 178.39 1nqi h ALA 97 N 1.03 1.34 0.00 1.53 0.00 -0.29 -2.56 119.26 120.31 1nqi h ALA 97 Ca 0.08 -0.23 -0.37 0.00 0.00 0.00 0.00 54.91 54.38 1nqi h ALA 97 Cb 0.03 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 1nqi h ALA 97 CO -0.01 0.32 -2.22 -0.89 0.00 0.00 0.00 179.25 176.45 1nqi n ILE 98 N -3.88 1.52 -0.09 0.00 5.41 0.22 -4.78 119.36 117.77 1nqi n ILE 98 Ca -0.02 -0.28 -0.20 0.00 1.00 0.00 0.00 62.75 63.26 1nqi n ILE 98 Cb 0.34 -1.97 -0.13 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 -4.30 0.68 0.00 0.38 4.81 0.16 -5.08 118.16 114.81 1nqi n LYS 99 Ca -0.46 0.20 0.00 0.00 -0.87 0.00 0.00 58.31 57.17 1nqi n LYS 99 Cb 0.81 -1.58 0.00 0.00 0.02 0.00 0.00 35.03 34.28 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 2.13 0.63 0.37 3.14 0.00 0.06 -4.65 105.19 106.89 1nqi n GLY 100 Ca -0.42 -2.10 0.19 0.00 0.00 0.00 0.00 46.02 43.70 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 0.67 0.00 -0.61 6.09 -1.87 -2.25 117.51 119.54 1nqi h ILE 101 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1nqi h ILE 101 Cb 0.00 0.74 0.00 0.00 0.47 0.00 0.00 36.82 38.03 1nqi h ILE 101 CO 0.00 0.00 0.00 0.47 -3.07 0.00 0.00 178.15 175.55 1nqi n ASP 102 N -4.24 0.00 -0.21 2.19 10.43 -1.26 -1.17 116.55 122.29 1nqi n ASP 102 Ca 0.08 0.18 -0.03 0.00 2.57 0.00 0.00 54.79 57.59 1nqi n ASP 102 Cb 0.56 -0.24 0.16 0.00 1.84 0.00 0.00 41.12 43.44 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 1.00 -2.84 1.24 3.20 -1.71 -3.36 116.97 114.50 1nqi h TYR 103 Ca 0.00 -0.06 -0.60 0.00 3.14 0.00 0.00 58.73 61.21 1nqi h TYR 103 Cb 0.02 -0.31 -0.12 0.00 1.54 0.00 0.00 36.73 37.87 1nqi h TYR 103 CO 0.00 0.76 0.68 -1.58 -1.64 0.00 0.00 178.16 176.38 1nqi s TRP 104 N -5.48 2.64 0.32 -3.82 0.51 -0.31 -4.90 118.94 107.89 1nqi s TRP 104 Ca -0.11 -0.19 0.37 0.00 -2.12 0.00 0.00 56.10 54.06 1nqi s TRP 104 Cb 0.16 -4.29 1.89 0.00 -0.81 0.00 0.00 33.47 30.42 1nqi s TRP 104 CO 0.81 -1.61 2.12 0.87 -0.51 0.00 0.00 176.95 178.63 1nqi h LYS 105 N 9.56 0.00 0.00 4.98 1.57 -1.85 -2.54 116.57 128.29 1nqi h LYS 105 Ca -0.27 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.46 1nqi h LYS 105 Cb 1.07 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 1nqi h LYS 105 CO 1.17 0.00 -0.22 0.00 -0.57 0.00 0.00 179.45 179.83 1nqi h ALA 106 N 2.02 0.96 0.57 3.86 0.00 -1.91 -3.38 119.26 121.39 1nqi h ALA 106 Ca 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1nqi h ALA 106 Cb 0.14 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1nqi h ALA 106 CO 0.00 0.27 -0.37 -0.92 0.00 0.00 0.00 179.25 178.24 1nqi h TYR 107 N 0.00 -0.97 0.43 0.00 3.20 -1.79 -1.42 116.97 116.42 1nqi h TYR 107 Ca -0.00 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 1nqi h TYR 107 Cb 0.85 0.35 -0.01 0.00 1.54 0.00 0.00 36.73 39.46 1nqi h TYR 107 CO 0.00 -0.55 -0.31 0.87 -1.64 0.00 0.00 178.16 176.53 1nqi h LYS 108 N -0.90 -0.70 -0.08 1.82 1.79 -1.80 -1.10 116.57 115.61 1nqi h LYS 108 Ca -0.07 0.05 -0.13 0.00 -2.18 0.00 0.00 60.65 58.32 1nqi h LYS 108 Cb 0.73 0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 31.53 1nqi h LYS 108 CO 0.06 -0.47 -0.53 -1.00 -1.08 0.00 0.00 179.45 176.43 1nqi h PRO 109 N -0.73 0.22 -0.00 3.15 0.13 -1.75 -3.34 132.00 129.67 1nqi h PRO 109 Ca -0.04 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1nqi h PRO 109 Cb 0.62 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.76 1nqi h PRO 109 CO 0.02 0.70 -0.36 -1.33 -0.23 0.00 0.00 178.00 176.79 1nqi n MET 110 N -3.92 3.20 -0.98 0.86 2.81 -0.54 -4.68 117.12 113.87 1nqi n MET 110 Ca -0.02 -0.22 0.05 0.00 -1.81 0.00 0.00 57.70 55.70 1nqi n MET 110 Cb 0.57 -1.00 0.11 0.00 -0.71 0.00 0.00 33.22 32.19 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 -0.35 1.07 -3.54 0.00 7.64 -1.23 -4.92 113.62 112.28 1nqi n SER 112 Ca 0.12 -0.85 -0.08 0.00 1.01 0.00 0.00 58.87 59.07 1nqi n SER 112 Cb 0.90 0.30 -0.01 0.00 -1.01 0.00 0.00 64.21 64.39 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 -2.66 1.93 -1.21 1.43 -1.05 -1.26 -5.00 118.70 110.87 1nqi s GLU 113 Ca 0.19 -1.18 -0.12 0.00 -0.15 0.00 0.00 54.97 53.71 1nqi s GLU 113 Cb 0.18 0.60 -0.01 0.00 -0.44 0.00 0.00 34.13 34.47 1nqi s GLU 113 CO 0.60 -0.88 0.71 1.63 0.95 0.00 0.00 175.26 178.27 1nqi n LYS 114 N -0.48 -2.37 0.15 -4.83 5.02 -1.26 -4.91 118.16 109.48 1nqi n LYS 114 Ca -0.05 0.50 0.10 0.00 -2.02 0.00 0.00 58.31 56.84 1nqi n LYS 114 Cb 0.60 -4.51 0.06 0.00 -0.02 0.00 0.00 35.03 31.16 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 -1.82 0.00 -1.94 -0.35 3.38 -1.94 -3.36 115.31 109.28 1nqi h LEU 115 Ca -0.64 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.30 1nqi h LEU 115 Cb 1.36 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.11 1nqi h LEU 115 CO 0.52 0.11 -0.11 -0.33 0.09 0.00 0.00 178.44 178.72 1nqi h GLU 116 N 0.00 0.00 0.00 1.13 4.39 -1.96 -1.59 114.58 116.55 1nqi h GLU 116 Ca -0.02 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 1nqi h GLU 116 Cb 1.10 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.74 1nqi h GLU 116 CO 0.01 0.11 -0.12 -0.56 -1.16 0.00 0.00 179.01 177.30 1nqi h GLN 117 N 0.00 0.00 -0.05 2.33 3.07 -1.98 -2.68 115.11 115.80 1nqi h GLN 117 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1nqi h GLN 117 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.87 1nqi h GLN 117 CO 0.01 0.12 0.00 0.91 0.09 0.00 0.00 178.83 179.96 1nqi n TRP 118 N -3.56 0.06 -2.72 0.06 7.02 -0.60 -4.87 117.44 112.84 1nqi n TRP 118 Ca -0.02 -0.03 -0.39 0.00 -1.02 0.00 0.00 57.50 56.05 1nqi n TRP 118 Cb 0.25 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.09 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 -1.94 4.70 -0.25 -0.99 3.52 -1.01 -4.77 118.95 118.20 1nqi s ARG 119 Ca 0.27 1.47 -0.29 0.00 -0.13 0.00 0.00 55.73 57.05 1nqi s ARG 119 Cb 0.13 -3.06 0.01 0.00 -1.56 0.00 0.00 34.95 30.47 1nqi s ARG 119 CO 0.21 0.36 1.11 0.00 -0.81 0.00 0.00 175.30 176.17 1nqi n GLU 121 N 6.61 2.07 -2.70 0.00 -0.58 -1.26 -4.98 120.64 119.80 1nqi n GLU 121 Ca 0.13 -1.66 -0.41 0.00 -0.42 0.00 0.00 57.16 54.80 1nqi n GLU 121 Cb 0.46 -1.38 -0.05 0.00 -0.57 0.00 0.00 31.44 29.90 1nqi n GLU 121 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1nqi s LYS 122 N -1.44 4.75 0.00 3.49 -0.14 -1.26 -5.25 119.74 119.89 1nqi s LYS 122 Ca 0.32 1.51 0.26 0.00 -1.36 0.00 0.00 55.97 56.71 1nqi s LYS 122 Cb 0.17 -3.32 1.56 0.00 -1.68 0.00 0.00 37.83 34.57 1nqi s LYS 122 CO 0.23 0.33 1.91 -2.30 -0.76 0.00 0.00 175.35 174.76