#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uqv n SER 25 N 0.00 0.00 -0.03 1.61 7.64 -1.26 -2.18 113.62 119.40 1uqv n SER 25 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 1uqv n SER 25 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1uqv n SER 25 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1uqv n HIS 26 N 0.00 0.00 -3.00 1.43 8.25 -1.26 -5.09 115.22 115.55 1uqv n HIS 26 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.38 1uqv n HIS 26 Cb 0.00 -0.21 0.01 0.00 1.12 0.00 0.00 29.99 30.91 1uqv n HIS 26 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 1uqv n MET 27 N -3.21 -1.94 0.00 -0.41 1.56 -0.93 -4.97 117.12 107.22 1uqv n MET 27 Ca -0.11 1.81 0.00 0.00 -0.27 0.00 0.00 57.70 59.13 1uqv n MET 27 Cb 0.58 -5.37 0.00 0.00 2.15 0.00 0.00 33.22 30.58 1uqv n MET 27 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 1uqv n ASN 28 N -0.91 0.00 -4.78 6.12 3.02 -1.26 -5.06 115.26 112.38 1uqv n ASN 28 Ca 0.05 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.19 1uqv n ASN 28 Cb 0.50 0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 1uqv n ASN 28 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1uqv s ASN 29 N -2.47 6.28 -0.20 6.41 4.22 -1.26 -4.93 114.94 122.98 1uqv s ASN 29 Ca 0.00 3.00 0.17 0.00 -2.14 0.00 0.00 52.86 53.89 1uqv s ASN 29 Cb 0.00 -2.66 -0.25 0.00 1.28 0.00 0.00 41.25 39.62 1uqv s ASN 29 CO 0.00 -0.91 0.08 -0.62 -2.04 0.00 0.00 177.10 173.60 1uqv n GLU 30 N 0.35 0.69 -1.60 3.55 1.02 -1.26 -4.92 120.64 118.46 1uqv n GLU 30 Ca 0.02 0.01 -0.46 0.00 -0.02 0.00 0.00 57.16 56.70 1uqv n GLU 30 Cb 0.40 -1.53 -0.04 0.00 -0.02 0.00 0.00 31.44 30.25 1uqv n GLU 30 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1uqv n ASP 31 N -2.78 3.22 0.03 1.62 2.03 -1.26 -4.83 116.55 114.57 1uqv n ASP 31 Ca -0.33 0.61 0.12 0.00 0.52 0.00 0.00 54.79 55.70 1uqv n ASP 31 Cb 1.15 -1.43 0.20 0.00 -0.72 0.00 0.00 41.12 40.32 1uqv n ASP 31 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 1uqv n PHE 32 N 9.02 0.26 0.35 -0.67 -1.74 -1.26 -3.83 117.46 119.60 1uqv n PHE 32 Ca 0.28 0.08 0.13 0.00 -0.56 0.00 0.00 57.45 57.38 1uqv n PHE 32 Cb 0.34 -0.45 0.56 0.00 1.52 0.00 0.00 39.48 41.46 1uqv n PHE 32 CO 0.00 0.00 0.00 0.66 -0.56 0.00 0.00 176.76 176.86 1uqv h SER 33 N 0.00 0.00 -0.36 5.98 4.64 -1.91 -2.18 113.55 119.73 1uqv h SER 33 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1uqv h SER 33 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1uqv h SER 33 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1uqv n GLN 34 N -2.45 2.40 -2.30 4.77 6.02 -1.25 -4.68 117.38 119.88 1uqv n GLN 34 Ca 0.01 -2.03 -0.41 0.00 -0.01 0.00 0.00 57.00 54.56 1uqv n GLN 34 Cb 0.23 -1.34 -0.03 0.00 1.02 0.00 0.00 30.24 30.12 1uqv n GLN 34 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1uqv s TRP 35 N -1.06 3.34 0.27 1.08 0.52 -0.82 -5.03 118.94 117.24 1uqv s TRP 35 Ca 0.28 1.42 0.04 0.00 0.02 0.00 0.00 56.10 57.86 1uqv s TRP 35 Cb 0.15 -3.49 0.04 0.00 -1.15 0.00 0.00 33.47 29.02 1uqv s TRP 35 CO 0.21 -1.37 0.36 0.43 0.02 0.00 0.00 176.95 176.59 1uqv n SER 36 N 1.96 1.00 0.20 2.95 7.64 -1.26 -3.86 113.62 122.25 1uqv n SER 36 Ca 0.03 -1.71 -0.15 0.00 1.01 0.00 0.00 58.87 58.05 1uqv n SER 36 Cb 0.44 -0.19 -0.08 0.00 -1.01 0.00 0.00 64.21 63.37 1uqv n SER 36 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1uqv h VAL 37 N 0.07 0.69 -0.31 0.44 2.07 -1.97 -1.83 116.25 115.41 1uqv h VAL 37 Ca -0.13 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 1uqv h VAL 37 Cb 0.57 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1uqv h VAL 37 CO 0.18 0.03 0.14 -0.78 0.02 0.00 0.00 177.57 177.15 1uqv h ASP 38 N -0.52 0.38 0.11 0.57 3.58 -1.96 -1.76 116.42 116.82 1uqv h ASP 38 Ca -0.05 -0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.37 1uqv h ASP 38 Cb 0.39 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.34 1uqv h ASP 38 CO 0.07 0.34 -0.05 0.44 -2.88 0.00 0.00 179.24 177.16 1uqv h ASP 39 N 0.43 -0.12 -0.62 2.28 5.19 -1.89 -2.76 116.42 118.93 1uqv h ASP 39 Ca 0.11 -0.30 -0.03 0.00 -0.62 0.00 0.00 57.03 56.19 1uqv h ASP 39 Cb 0.07 0.03 -0.03 0.00 0.18 0.00 0.00 39.33 39.58 1uqv h ASP 39 CO -0.01 0.25 0.26 0.58 -3.12 0.00 0.00 179.24 177.19 1uqv h VAL 40 N -0.51 1.23 0.43 -1.35 2.07 -1.17 -2.74 116.25 114.21 1uqv h VAL 40 Ca -0.01 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 1uqv h VAL 40 Cb 0.41 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1uqv h VAL 40 CO 0.02 0.28 -0.37 0.40 0.02 0.00 0.00 177.57 177.92 1uqv h ILE 41 N 0.87 0.24 0.48 4.57 2.04 -1.36 0.64 117.51 124.99 1uqv h ILE 41 Ca 0.21 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.06 1uqv h ILE 41 Cb 0.19 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 1uqv h ILE 41 CO -0.02 0.00 -0.48 0.74 0.00 0.00 0.00 178.15 178.40 1uqv h THR 42 N -0.81 0.06 0.10 -0.27 2.02 -1.49 -1.88 112.91 110.66 1uqv h THR 42 Ca -0.04 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.16 1uqv h THR 42 Cb 0.70 0.06 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 1uqv h THR 42 CO -0.03 0.00 -0.27 -0.25 0.37 0.00 0.00 175.52 175.34 1uqv h TRP 43 N -0.96 -0.73 -0.01 3.16 7.01 -1.49 -1.30 115.95 121.62 1uqv h TRP 43 Ca -0.05 0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.97 1uqv h TRP 43 Cb 0.84 0.31 -0.00 0.00 -2.10 0.00 0.00 29.16 28.21 1uqv h TRP 43 CO -0.24 -0.38 -0.02 0.00 -2.79 0.00 0.00 178.44 175.01 1uqv h ILE 45 N -0.02 0.19 0.00 0.00 2.04 -1.33 1.54 117.51 119.93 1uqv h ILE 45 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1uqv h ILE 45 Cb 0.03 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.30 1uqv h ILE 45 CO -0.02 0.00 0.08 -1.20 0.00 0.00 0.00 178.15 177.01 1uqv n SER 46 N -5.42 0.32 0.00 1.72 7.64 -0.49 -1.67 113.62 115.72 1uqv n SER 46 Ca -0.01 0.61 0.00 0.00 1.01 0.00 0.00 58.87 60.48 1uqv n SER 46 Cb 0.34 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 1uqv n SER 46 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1uqv n THR 47 N -1.93 0.00 -0.01 0.44 -2.24 0.38 -4.91 114.28 106.02 1uqv n THR 47 Ca -0.01 -0.29 -0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1uqv n THR 47 Cb 0.10 1.39 -0.00 0.00 -2.10 0.00 0.00 70.33 69.71 1uqv n THR 47 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1uqv n LEU 48 N -0.04 0.12 0.00 3.22 7.94 0.50 -5.03 117.00 123.71 1uqv n LEU 48 Ca 0.00 0.15 0.00 0.00 -1.11 0.00 0.00 56.01 55.05 1uqv n LEU 48 Cb 0.10 -0.52 0.00 0.00 0.53 0.00 0.00 43.42 43.53 1uqv n LEU 48 CO 0.00 -0.49 0.00 1.21 -1.11 0.00 0.00 177.39 177.00 1uqv n GLU 49 N -2.51 0.00 -0.65 1.96 2.13 -1.19 -5.06 120.64 115.32 1uqv n GLU 49 Ca -0.01 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.78 1uqv n GLU 49 Cb 0.02 0.00 0.02 0.00 0.27 0.00 0.00 31.44 31.76 1uqv n GLU 49 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 1uqv n VAL 50 N -1.62 0.00 -3.49 6.31 0.24 -1.26 -4.99 118.33 113.52 1uqv n VAL 50 Ca 0.00 -0.19 -0.08 0.00 -2.04 0.00 0.00 64.34 62.04 1uqv n VAL 50 Cb 0.00 -1.56 0.00 0.00 -1.47 0.00 0.00 33.84 30.82 1uqv n VAL 50 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1uqv n GLU 51 N -1.31 1.16 -1.89 7.34 0.28 -1.26 -3.89 120.64 121.06 1uqv n GLU 51 Ca 0.02 -1.05 -0.41 0.00 -0.16 0.00 0.00 57.16 55.57 1uqv n GLU 51 Cb 0.08 0.08 -0.02 0.00 1.43 0.00 0.00 31.44 33.01 1uqv n GLU 51 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1uqv n GLU 52 N -1.01 2.53 0.00 3.44 1.02 -1.26 -3.78 120.64 121.58 1uqv n GLU 52 Ca 0.01 -2.62 0.00 0.00 -0.02 0.00 0.00 57.16 54.52 1uqv n GLU 52 Cb 0.19 -3.33 0.00 0.00 -0.02 0.00 0.00 31.44 28.28 1uqv n GLU 52 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1uqv n THR 53 N 5.98 0.00 -1.95 2.62 -2.24 -1.26 -5.11 114.28 112.31 1uqv n THR 53 Ca 0.50 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.90 1uqv n THR 53 Cb 0.42 -0.31 0.02 0.00 -2.10 0.00 0.00 70.33 68.36 1uqv n THR 53 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1uqv s ASP 54 N -4.06 5.68 0.00 3.42 2.15 -1.25 -4.85 116.67 117.76 1uqv s ASP 54 Ca 0.00 2.62 0.00 0.00 0.43 0.00 0.00 52.55 55.60 1uqv s ASP 54 Cb 0.00 -2.63 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 1uqv s ASP 54 CO 0.00 -1.28 0.43 -2.65 -0.17 0.00 0.00 175.17 171.50 1uqv n PRO 55 N -0.70 0.00 -0.44 4.34 -0.02 -1.26 -3.50 135.00 133.43 1uqv n PRO 55 Ca 0.08 0.00 0.36 0.00 -2.02 0.00 0.00 63.50 61.92 1uqv n PRO 55 Cb 0.46 -1.47 0.64 0.00 -0.02 0.00 0.00 33.50 33.10 1uqv n PRO 55 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1uqv h LEU 56 N 0.00 0.25 -0.39 2.45 6.46 -1.92 0.52 115.31 122.69 1uqv h LEU 56 Ca 0.00 0.12 -0.04 0.00 -0.12 0.00 0.00 57.88 57.84 1uqv h LEU 56 Cb 0.00 0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.02 1uqv h LEU 56 CO 0.00 -0.14 0.08 0.00 -0.62 0.00 0.00 178.44 177.75 1uqv h GLN 58 N 0.48 0.33 -0.68 0.00 4.15 -0.26 0.21 115.11 119.34 1uqv h GLN 58 Ca 0.12 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.50 1uqv h GLN 58 Cb 0.34 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.93 1uqv h GLN 58 CO 0.00 0.22 0.34 0.00 -1.93 0.00 0.00 178.83 177.46 1uqv h ARG 59 N 0.34 0.95 -0.02 1.69 -0.00 -1.42 -1.24 114.38 114.68 1uqv h ARG 59 Ca 0.18 -0.12 -0.18 0.00 -0.50 0.00 0.00 59.98 59.36 1uqv h ARG 59 Cb 0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 29.97 29.91 1uqv h ARG 59 CO -0.17 0.73 -0.78 -0.07 0.00 0.00 0.00 179.97 179.68 1uqv h LEU 60 N 0.95 0.25 -0.57 3.04 3.38 -0.93 -3.21 115.31 118.23 1uqv h LEU 60 Ca 0.24 -0.18 -0.15 0.00 0.09 0.00 0.00 57.88 57.87 1uqv h LEU 60 Cb 0.08 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1uqv h LEU 60 CO -0.03 0.93 -0.54 0.03 0.09 0.00 0.00 178.44 178.92 1uqv h ARG 61 N 0.13 0.49 -0.99 1.13 3.08 -0.13 -3.03 114.38 115.06 1uqv h ARG 61 Ca -0.03 -0.31 0.11 0.00 0.07 0.00 0.00 59.98 59.83 1uqv h ARG 61 Cb 1.36 0.03 -0.08 0.00 0.08 0.00 0.00 29.97 31.37 1uqv h ARG 61 CO 0.12 0.91 0.63 1.49 -1.07 0.00 0.00 179.97 182.04 1uqv h GLU 62 N 0.38 0.98 -3.89 0.04 4.22 -1.24 -3.29 114.58 111.77 1uqv h GLU 62 Ca 0.01 -0.06 -0.70 0.00 0.08 0.00 0.00 59.36 58.69 1uqv h GLU 62 Cb 1.06 -0.22 -0.34 0.00 0.50 0.00 0.00 28.75 29.75 1uqv h GLU 62 CO 0.10 0.65 -0.40 -0.80 -2.18 0.00 0.00 179.01 176.37 1uqv s ASN 63 N -5.75 5.33 -0.68 1.04 0.01 -1.14 -5.04 114.94 108.71 1uqv s ASN 63 Ca -0.12 -2.56 -0.29 0.00 -0.71 0.00 0.00 52.86 49.19 1uqv s ASN 63 Cb 0.22 -1.87 -0.13 0.00 0.41 0.00 0.00 41.25 39.88 1uqv s ASN 63 CO 0.81 -0.45 2.51 0.47 -1.51 0.00 0.00 177.10 178.93 1uqv n ASP 64 N 3.91 1.52 -4.88 -1.22 8.00 -1.24 -4.86 116.55 117.77 1uqv n ASP 64 Ca 0.04 -0.17 -0.36 0.00 0.71 0.00 0.00 54.79 55.01 1uqv n ASP 64 Cb 0.39 -1.30 -0.06 0.00 -0.02 0.00 0.00 41.12 40.13 1uqv n ASP 64 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1uqv s ILE 65 N 10.61 5.47 0.34 0.53 -1.09 -1.26 -5.05 121.20 130.74 1uqv s ILE 65 Ca 1.14 0.17 0.09 0.00 -2.23 0.00 0.00 60.65 59.82 1uqv s ILE 65 Cb -0.65 -3.45 -0.06 0.00 -1.58 0.00 0.00 42.46 36.73 1uqv s ILE 65 CO 0.37 0.56 -0.03 0.54 -1.23 0.00 0.00 174.94 175.14 1uqv s VAL 66 N -1.10 2.50 0.24 2.92 0.11 -1.26 -3.96 120.40 119.85 1uqv s VAL 66 Ca 0.18 -2.07 -0.06 0.00 -2.93 0.00 0.00 61.98 57.10 1uqv s VAL 66 Cb -0.12 -2.72 0.20 0.00 -1.53 0.00 0.00 36.38 32.20 1uqv s VAL 66 CO 0.08 -0.21 1.81 1.23 -3.33 0.00 0.00 175.10 174.67 1uqv h GLY 67 N 1.90 1.20 0.46 6.54 0.00 -1.67 0.73 103.07 112.24 1uqv h GLY 67 Ca -0.42 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 46.61 1uqv h GLY 67 CO 0.68 0.13 0.00 2.09 0.00 0.00 0.00 176.54 179.44 1uqv n ASP 68 N -4.76 0.00 -0.00 0.19 5.68 -1.26 -2.81 116.55 113.58 1uqv n ASP 68 Ca 0.12 -1.33 0.03 0.00 -0.50 0.00 0.00 54.79 53.11 1uqv n ASP 68 Cb 0.25 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.19 1uqv n ASP 68 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 1uqv n LEU 69 N -0.73 0.05 -0.14 -2.12 7.94 0.17 -4.52 117.00 117.64 1uqv n LEU 69 Ca 0.10 -0.09 -0.08 0.00 -1.11 0.00 0.00 56.01 54.82 1uqv n LEU 69 Cb 0.04 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.00 1uqv n LEU 69 CO 0.07 0.01 1.00 -0.07 -1.11 0.00 0.00 177.39 177.30 1uqv h LEU 70 N 0.00 0.52 -0.32 -1.96 3.38 -1.16 -2.76 115.31 113.01 1uqv h LEU 70 Ca 0.00 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1uqv h LEU 70 Cb 0.25 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1uqv h LEU 70 CO 0.00 0.44 -0.15 -0.65 0.09 0.00 0.00 178.44 178.17 1uqv h PRO 71 N 0.55 0.00 -0.08 1.13 0.11 -1.83 -3.23 132.00 128.65 1uqv h PRO 71 Ca 0.15 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.12 1uqv h PRO 71 Cb 0.03 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.13 1uqv h PRO 71 CO -0.03 0.15 -0.58 0.93 -0.21 0.00 0.00 178.00 178.27 1uqv h GLU 72 N 0.00 0.24 -7.10 1.05 5.08 -1.74 -3.44 114.58 108.66 1uqv h GLU 72 Ca -0.00 -0.16 -0.49 0.00 -1.00 0.00 0.00 59.36 57.71 1uqv h GLU 72 Cb 1.00 0.02 0.05 0.00 0.50 0.00 0.00 28.75 30.33 1uqv h GLU 72 CO 0.02 0.75 0.40 -0.51 -1.00 0.00 0.00 179.01 178.68 1uqv s LEU 73 N -7.97 3.73 0.00 1.33 1.43 -1.06 -5.06 118.68 111.07 1uqv s LEU 73 Ca -0.04 2.02 0.06 0.00 -1.03 0.00 0.00 54.13 55.13 1uqv s LEU 73 Cb 0.12 -4.56 0.06 0.00 0.03 0.00 0.00 46.19 41.83 1uqv s LEU 73 CO 0.80 -1.07 0.46 0.00 0.23 0.00 0.00 176.35 176.77 1uqv n LEU 75 N 0.00 0.16 -0.06 0.00 7.99 -1.26 -2.25 117.00 121.57 1uqv n LEU 75 Ca 0.08 0.55 -0.05 0.00 -0.01 0.00 0.00 56.01 56.58 1uqv n LEU 75 Cb 0.38 -0.54 -0.04 0.00 -0.11 0.00 0.00 43.42 43.12 1uqv n LEU 75 CO 0.24 -0.41 0.03 -0.61 -1.51 0.00 0.00 177.39 175.13 1uqv h GLN 76 N 0.00 0.00 -0.01 3.23 5.75 -1.98 -2.71 115.11 119.39 1uqv h GLN 76 Ca 0.00 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.47 1uqv h GLN 76 Cb 0.19 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.74 1uqv h GLN 76 CO 0.00 0.30 -0.13 -0.44 -2.65 0.00 0.00 178.83 175.91 1uqv h ASP 77 N -1.00 0.01 0.23 -0.69 3.32 -1.93 -2.20 116.42 114.16 1uqv h ASP 77 Ca -0.02 -0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.82 1uqv h ASP 77 Cb 0.37 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1uqv h ASP 77 CO -0.01 0.15 -0.87 0.00 -1.72 0.00 0.00 179.24 176.79 1uqv h GLN 79 N 0.29 1.05 -0.27 0.00 4.15 -1.06 -1.99 115.11 117.28 1uqv h GLN 79 Ca -0.07 -0.19 -0.06 0.00 0.77 0.00 0.00 58.65 59.11 1uqv h GLN 79 Cb 1.48 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 28.99 1uqv h GLN 79 CO 0.15 0.86 -0.08 0.22 -1.93 0.00 0.00 178.83 178.06 1uqv h ASP 80 N 1.03 0.42 0.90 -0.69 3.58 -1.47 -1.42 116.42 118.77 1uqv h ASP 80 Ca 0.24 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.60 1uqv h ASP 80 Cb 0.22 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.16 1uqv h ASP 80 CO -0.02 0.54 0.00 -0.07 -2.88 0.00 0.00 179.24 176.82 1uqv h LEU 81 N 0.42 0.00 0.00 2.28 4.07 -1.25 -3.45 115.31 117.37 1uqv h LEU 81 Ca 0.08 0.00 -0.34 0.00 0.08 0.00 0.00 57.88 57.71 1uqv h LEU 81 Cb 0.40 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.16 1uqv h LEU 81 CO 0.02 0.00 -0.05 0.00 -1.08 0.00 0.00 178.44 177.33 1uqv h ASP 83 N 0.08 0.00 0.00 0.00 3.32 -1.86 -3.45 116.42 114.51 1uqv h ASP 83 Ca -0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.86 1uqv h ASP 83 Cb 0.87 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.42 1uqv h ASP 83 CO 0.27 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.40 1uqv n GLY 84 N -0.61 0.69 3.72 2.75 0.00 -1.25 -5.09 105.19 105.40 1uqv n GLY 84 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1uqv n GLY 84 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1uqv s ASP 85 N -0.69 7.38 0.03 1.61 2.15 -1.26 -4.97 116.67 120.90 1uqv s ASP 85 Ca 0.00 1.76 -0.26 0.00 0.43 0.00 0.00 52.55 54.48 1uqv s ASP 85 Cb 0.00 -2.58 -0.17 0.00 -0.30 0.00 0.00 42.92 39.87 1uqv s ASP 85 CO 0.00 -0.22 1.37 0.25 -0.17 0.00 0.00 175.17 176.40 1uqv h LEU 86 N 6.34 -0.29 -1.51 -1.34 5.85 -1.97 -2.96 115.31 119.44 1uqv h LEU 86 Ca -0.42 -0.17 0.25 0.00 0.84 0.00 0.00 57.88 58.39 1uqv h LEU 86 Cb 1.22 0.07 -0.08 0.00 0.37 0.00 0.00 40.66 42.24 1uqv h LEU 86 CO 0.74 0.02 0.66 0.78 -0.34 0.00 0.00 178.44 180.30 1uqv h ASN 87 N -0.60 0.36 0.04 1.25 -0.26 -2.00 0.00 115.58 114.38 1uqv h ASN 87 Ca -0.03 0.05 -0.00 0.00 -0.56 0.00 0.00 56.30 55.76 1uqv h ASN 87 Cb 0.43 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 37.69 1uqv h ASN 87 CO 0.06 0.10 -0.02 0.50 -1.06 0.00 0.00 177.43 177.01 1uqv h LYS 88 N 0.34 -0.05 0.00 0.81 1.63 -1.93 -2.21 116.57 115.16 1uqv h LYS 88 Ca 0.53 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 60.30 1uqv h LYS 88 Cb 1.46 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 33.09 1uqv h LYS 88 CO -0.21 -0.01 -0.17 0.00 -3.45 0.00 0.00 179.45 175.62 1uqv h ALA 89 N 0.89 1.46 0.67 5.00 0.00 -0.95 -2.62 119.26 123.71 1uqv h ALA 89 Ca -0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1uqv h ALA 89 Cb 0.06 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.83 1uqv h ALA 89 CO 0.01 0.21 -0.32 0.82 0.00 0.00 0.00 179.25 179.97 1uqv h ILE 90 N 0.00 0.22 -0.54 0.00 2.04 -0.72 -2.12 117.51 116.39 1uqv h ILE 90 Ca -0.00 -0.23 0.10 0.00 1.00 0.00 0.00 64.86 65.73 1uqv h ILE 90 Cb 0.36 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 1uqv h ILE 90 CO 0.02 0.02 0.37 0.11 0.00 0.00 0.00 178.15 178.67 1uqv h LYS 91 N -1.08 0.29 0.51 2.37 1.79 -1.34 -0.50 116.57 118.61 1uqv h LYS 91 Ca -0.09 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.34 1uqv h LYS 91 Cb 0.73 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.31 1uqv h LYS 91 CO 0.15 0.19 -0.26 0.35 -1.08 0.00 0.00 179.45 178.80 1uqv h PHE 92 N 0.30 -0.69 0.00 -1.35 3.57 -1.25 -1.60 116.94 115.92 1uqv h PHE 92 Ca 0.25 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 1uqv h PHE 92 Cb 0.59 0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.57 1uqv h PHE 92 CO -0.00 -0.41 -0.00 -0.22 -2.23 0.00 0.00 178.31 175.44 1uqv h LYS 93 N -0.71 0.00 0.05 1.11 3.64 -1.07 -2.75 116.57 116.85 1uqv h LYS 93 Ca -0.07 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1uqv h LYS 93 Cb 0.55 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1uqv h LYS 93 CO 0.10 0.00 -0.03 0.82 -2.27 0.00 0.00 179.45 178.08 1uqv h ILE 94 N 0.00 0.00 -0.93 2.00 2.04 -0.70 0.18 117.51 120.10 1uqv h ILE 94 Ca -0.00 -0.04 0.27 0.00 1.00 0.00 0.00 64.86 66.08 1uqv h ILE 94 Cb 0.02 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.06 1uqv h ILE 94 CO 0.00 0.00 0.66 -0.07 0.00 0.00 0.00 178.15 178.74 1uqv h LEU 95 N -0.11 0.03 -0.08 1.44 3.38 -1.25 0.32 115.31 119.04 1uqv h LEU 95 Ca -0.01 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 1uqv h LEU 95 Cb 0.06 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.82 1uqv h LEU 95 CO 0.01 0.01 -0.78 0.40 0.09 0.00 0.00 178.44 178.18 1uqv h ILE 96 N 0.03 1.32 -0.33 1.22 2.04 -1.52 -2.80 117.51 117.46 1uqv h ILE 96 Ca 0.44 -2.03 -0.07 0.00 1.00 0.00 0.00 64.86 64.20 1uqv h ILE 96 Cb 1.73 2.23 -0.02 0.00 -0.74 0.00 0.00 36.82 40.03 1uqv h ILE 96 CO -0.02 0.63 -0.09 -1.13 0.00 0.00 0.00 178.15 177.54 1uqv h ASN 97 N 0.32 0.53 0.09 1.72 -0.73 0.17 -2.16 115.58 115.52 1uqv h ASN 97 Ca -0.07 -0.13 -0.00 0.00 1.87 0.00 0.00 56.30 57.96 1uqv h ASN 97 Cb 1.43 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 39.88 1uqv h ASN 97 CO 0.16 0.67 -0.04 0.11 -0.37 0.00 0.00 177.43 177.95 1uqv h LYS 98 N 0.51 -0.12 0.00 6.67 6.56 -1.07 -1.76 116.57 127.36 1uqv h LYS 98 Ca 0.10 0.01 -0.00 0.00 -1.06 0.00 0.00 60.65 59.70 1uqv h LYS 98 Cb 0.47 0.03 -0.00 0.00 -0.57 0.00 0.00 32.23 32.16 1uqv h LYS 98 CO 0.03 0.13 -0.00 1.98 -2.06 0.00 0.00 179.45 179.52 1uqv h MET 99 N -0.35 0.00 0.13 3.15 4.05 -1.37 -1.13 114.93 119.41 1uqv h MET 99 Ca -0.01 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.40 1uqv h MET 99 Cb 0.30 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.10 1uqv h MET 99 CO 0.02 0.00 -0.06 -0.09 0.23 0.00 0.00 176.91 177.01 1uqv h ARG 100 N 0.00 -0.17 0.00 0.39 2.43 -1.06 -3.19 114.38 112.78 1uqv h ARG 100 Ca -0.00 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 1uqv h ARG 100 Cb 0.00 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1uqv h ARG 100 CO 0.00 0.28 -0.10 -0.44 -1.51 0.00 0.00 179.97 178.20 1uqv h ASP 101 N -0.75 0.00 -3.16 -3.80 3.32 -0.99 -3.43 116.42 107.61 1uqv h ASP 101 Ca -0.02 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.50 1uqv h ASP 101 Cb 0.53 0.00 0.07 0.00 0.22 0.00 0.00 39.33 40.15 1uqv h ASP 101 CO 0.03 0.10 0.89 -0.44 -1.72 0.00 0.00 179.24 178.10 1uqv s SER 102 N -6.21 6.43 -0.39 6.45 0.01 -0.46 -4.97 113.70 114.56 1uqv s SER 102 Ca -0.03 2.86 0.05 0.00 1.31 0.00 0.00 55.95 60.14 1uqv s SER 102 Cb 0.14 -2.62 0.18 0.00 0.21 0.00 0.00 66.02 63.93 1uqv s SER 102 CO 0.58 -0.89 0.71 -0.75 0.41 0.00 0.00 173.24 173.31 1uqv s LYS 103 N -0.01 0.69 -0.02 12.44 2.20 -1.26 -4.99 119.74 128.79 1uqv s LYS 103 Ca 0.66 -0.20 -0.05 0.00 -0.36 0.00 0.00 55.97 56.01 1uqv s LYS 103 Cb -0.47 0.09 -0.02 0.00 -1.51 0.00 0.00 37.83 35.92 1uqv s LYS 103 CO 0.43 -1.00 -0.10 1.28 -0.36 0.00 0.00 175.35 175.59 1uqv n LEU 104 N 4.31 0.85 -0.96 5.43 7.99 -1.26 -4.86 117.00 128.50 1uqv n LEU 104 Ca 0.10 0.13 0.03 0.00 -0.01 0.00 0.00 56.01 56.26 1uqv n LEU 104 Cb 0.58 -0.41 0.15 0.00 -0.11 0.00 0.00 43.42 43.62 1uqv n LEU 104 CO -0.02 -0.51 0.27 -0.62 -1.51 0.00 0.00 177.39 175.00 1uqv n GLU 105 N -3.32 1.33 -3.18 3.23 1.02 -1.26 -4.83 120.64 113.63 1uqv n GLU 105 Ca -0.04 -3.05 -0.21 0.00 -0.02 0.00 0.00 57.16 53.85 1uqv n GLU 105 Cb 0.15 -1.26 -0.05 0.00 -0.02 0.00 0.00 31.44 30.26 1uqv n GLU 105 CO 0.00 0.00 0.00 -2.67 1.18 0.00 0.00 177.13 175.64 1uqv n TRP 106 N -0.69 -0.18 -3.50 -0.32 2.14 -1.26 -5.05 117.44 108.59 1uqv n TRP 106 Ca 0.17 -3.64 -0.42 0.00 2.07 0.00 0.00 57.50 55.68 1uqv n TRP 106 Cb 0.82 -0.33 -0.06 0.00 -0.81 0.00 0.00 31.31 30.93 1uqv n TRP 106 CO 0.00 0.00 0.00 -1.59 2.07 0.00 0.00 177.69 178.17 1uqv s LYS 107 N -1.75 3.01 0.00 -2.67 -2.85 -1.26 -4.93 119.74 109.29 1uqv s LYS 107 Ca 0.37 -2.31 0.00 0.00 -1.00 0.00 0.00 55.97 53.03 1uqv s LYS 107 Cb 0.26 -4.09 0.00 0.00 -2.06 0.00 0.00 37.83 31.94 1uqv s LYS 107 CO -0.10 -1.24 0.37 -0.25 0.10 0.00 0.00 175.35 174.24