#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 -4.03 -0.00 1.61 7.64 -1.26 -4.96 113.62 112.62 1uqv n SER 25 Ca 0.00 1.35 0.08 0.00 1.01 0.00 0.00 58.87 61.31 1uqv n SER 25 Cb 0.00 -5.04 -0.10 0.00 -1.01 0.00 0.00 64.21 58.06 1uqv n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1uqv n HIS 26 N 1.32 0.00 -3.85 1.43 -0.00 -1.26 -4.87 115.22 107.99 1uqv n HIS 26 Ca -0.22 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.14 1uqv n HIS 26 Cb 0.36 -0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 30.22 1uqv n HIS 26 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 1uqv s MET 27 N -2.62 2.81 0.17 -1.40 1.00 -1.26 -4.95 119.30 113.04 1uqv s MET 27 Ca 0.06 -1.03 0.25 0.00 0.00 0.00 0.00 55.69 54.98 1uqv s MET 27 Cb 0.13 -3.23 0.91 0.00 0.00 0.00 0.00 34.83 32.64 1uqv s MET 27 CO 0.71 -0.50 1.77 -1.71 0.00 0.00 0.00 175.02 175.29 1uqv n ASN 28 N 4.75 0.60 -3.78 3.03 5.15 -1.26 -4.76 115.26 118.98 1uqv n ASN 28 Ca -0.15 0.58 -0.13 0.00 -0.60 0.00 0.00 54.58 54.29 1uqv n ASN 28 Cb 0.46 -0.73 -0.12 0.00 -0.53 0.00 0.00 39.78 38.86 1uqv n ASN 28 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1uqv s ASN 29 N -4.11 -0.24 -0.19 1.20 3.04 -1.26 -5.07 114.94 108.30 1uqv s ASN 29 Ca 0.09 0.47 -0.15 0.00 0.04 0.00 0.00 52.86 53.32 1uqv s ASN 29 Cb 0.13 0.45 -0.07 0.00 -1.54 0.00 0.00 41.25 40.21 1uqv s ASN 29 CO 0.52 -0.10 -0.33 1.21 -3.04 0.00 0.00 177.10 175.36 1uqv n GLU 30 N 3.25 0.51 -1.79 0.43 2.13 -1.26 -4.98 120.64 118.93 1uqv n GLU 30 Ca -0.16 0.21 -0.41 0.00 0.66 0.00 0.00 57.16 57.46 1uqv n GLU 30 Cb 0.57 -1.38 -0.01 0.00 0.27 0.00 0.00 31.44 30.90 1uqv n GLU 30 CO 0.00 0.00 0.00 0.16 -0.41 0.00 0.00 177.13 176.88 1uqv s ASP 31 N -6.41 6.36 0.00 4.31 1.47 -1.26 -4.90 116.67 116.24 1uqv s ASP 31 Ca -0.30 2.99 0.26 0.00 1.18 0.00 0.00 52.55 56.68 1uqv s ASP 31 Cb 0.07 -2.65 0.72 0.00 -0.34 0.00 0.00 42.92 40.72 1uqv s ASP 31 CO 0.42 -0.89 1.55 2.22 0.68 0.00 0.00 175.17 179.14 1uqv n PHE 32 N 1.44 0.00 0.23 2.11 1.16 -1.26 -3.89 117.46 117.25 1uqv n PHE 32 Ca 0.05 0.00 0.10 0.00 -1.87 0.00 0.00 57.45 55.73 1uqv n PHE 32 Cb 0.38 -0.20 0.53 0.00 -1.61 0.00 0.00 39.48 38.58 1uqv n PHE 32 CO 0.00 0.00 0.00 0.66 -1.87 0.00 0.00 176.76 175.55 1uqv h SER 33 N 0.57 0.00 -0.50 5.98 4.64 -1.90 -2.52 113.55 119.82 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 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1uqv h SER 33 CO 0.00 0.23 0.00 0.00 -0.87 0.00 0.00 176.83 176.19 1uqv n GLN 34 N -3.56 2.56 -2.01 4.77 3.00 -1.25 -4.66 117.38 116.22 1uqv n GLN 34 Ca -0.01 -2.38 -0.40 0.00 -0.01 0.00 0.00 57.00 54.20 1uqv n GLN 34 Cb 0.37 -1.51 -0.01 0.00 0.00 0.00 0.00 30.24 29.10 1uqv n GLN 34 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 1uqv s TRP 35 N -1.26 2.84 0.57 1.08 0.52 -0.96 -5.03 118.94 116.70 1uqv s TRP 35 Ca 0.40 1.36 0.08 0.00 0.02 0.00 0.00 56.10 57.96 1uqv s TRP 35 Cb 0.23 -3.75 0.07 0.00 -1.15 0.00 0.00 33.47 28.86 1uqv s TRP 35 CO 0.31 -2.22 0.64 0.45 0.02 0.00 0.00 176.95 176.14 1uqv s SER 36 N -0.53 4.88 0.08 2.95 0.15 -1.26 -4.47 113.70 115.50 1uqv s SER 36 Ca 0.54 -1.04 -0.30 0.00 0.70 0.00 0.00 55.95 55.84 1uqv s SER 36 Cb -0.41 0.41 -0.16 0.00 -1.71 0.00 0.00 66.02 64.15 1uqv s SER 36 CO 0.53 -1.28 1.64 0.58 1.20 0.00 0.00 173.24 175.92 1uqv h VAL 37 N 0.39 0.44 -0.03 4.45 2.07 -1.96 -0.77 116.25 120.83 1uqv h VAL 37 Ca -0.32 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.21 1uqv h VAL 37 Cb 1.30 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1uqv h VAL 37 CO 0.47 0.00 0.03 -2.24 0.02 0.00 0.00 177.57 175.85 1uqv h ASP 38 N -0.70 0.00 -0.05 0.57 2.03 -1.97 -1.12 116.42 115.18 1uqv h ASP 38 Ca -0.05 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 56.07 1uqv h ASP 38 Cb 0.57 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.08 1uqv h ASP 38 CO 0.06 0.00 -0.66 -0.78 -1.03 0.00 0.00 179.24 176.84 1uqv h ASP 39 N 0.00 0.66 -0.22 4.15 1.82 -1.83 -2.71 116.42 118.30 1uqv h ASP 39 Ca 0.01 -0.70 -0.16 0.00 -0.39 0.00 0.00 57.03 55.79 1uqv h ASP 39 Cb 0.07 -0.20 -0.00 0.00 0.68 0.00 0.00 39.33 39.87 1uqv h ASP 39 CO -0.00 1.27 -0.47 0.58 -1.61 0.00 0.00 179.24 179.01 1uqv h VAL 40 N 0.12 1.29 0.14 2.25 2.07 -0.63 -2.70 116.25 118.78 1uqv h VAL 40 Ca -0.07 -1.66 -0.01 0.00 0.82 0.00 0.00 66.70 65.79 1uqv h VAL 40 Cb 1.33 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 1uqv h VAL 40 CO 0.13 0.54 -0.07 0.40 0.02 0.00 0.00 177.57 178.59 1uqv h ILE 41 N 0.62 0.96 0.24 4.57 2.04 -1.30 -0.93 117.51 123.72 1uqv h ILE 41 Ca 0.03 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1uqv h ILE 41 Cb 1.04 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 38.33 1uqv h ILE 41 CO 0.10 0.10 -0.25 0.74 0.00 0.00 0.00 178.15 178.84 1uqv h THR 42 N -0.39 0.46 -0.51 -0.27 2.02 -1.53 -1.63 112.91 111.06 1uqv h THR 42 Ca -0.02 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.19 1uqv h THR 42 Cb 0.31 0.46 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 1uqv h THR 42 CO 0.03 0.00 0.29 -0.25 0.37 0.00 0.00 175.52 175.96 1uqv h TRP 43 N -0.53 0.54 0.00 3.16 7.01 -1.52 -0.70 115.95 123.91 1uqv h TRP 43 Ca -0.00 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.02 1uqv h TRP 43 Cb 0.49 -0.17 0.00 0.00 -2.10 0.00 0.00 29.16 27.38 1uqv h TRP 43 CO -0.17 0.30 0.00 0.00 -2.79 0.00 0.00 178.44 175.78 1uqv h ILE 45 N 0.00 0.54 -0.45 0.00 2.04 -1.32 0.81 117.51 119.14 1uqv h ILE 45 Ca 0.00 -0.08 0.13 0.00 1.00 0.00 0.00 64.86 65.91 1uqv h ILE 45 Cb 0.00 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.35 1uqv h ILE 45 CO 0.00 0.04 0.35 -1.28 0.00 0.00 0.00 178.15 177.26 1uqv h SER 46 N 0.24 0.00 0.00 1.72 0.87 -0.80 -3.18 113.55 112.40 1uqv h SER 46 Ca 0.52 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.08 1uqv h SER 46 Cb 1.61 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.57 1uqv h SER 46 CO -0.15 0.00 -0.22 1.07 -0.53 0.00 0.00 176.83 177.00 1uqv n THR 47 N -4.24 0.00 0.00 2.23 5.66 0.10 -4.97 114.28 113.07 1uqv n THR 47 Ca 0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.08 1uqv n THR 47 Cb 0.55 0.53 0.00 0.00 -1.55 0.00 0.00 70.33 69.85 1uqv n THR 47 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1uqv n LEU 48 N 0.00 0.37 0.16 1.09 -0.00 0.26 -5.00 117.00 113.88 1uqv n LEU 48 Ca 0.00 0.49 0.00 0.00 -0.00 0.00 0.00 56.01 56.50 1uqv n LEU 48 Cb 0.59 -0.43 0.00 0.00 -0.00 0.00 0.00 43.42 43.58 1uqv n LEU 48 CO 0.00 -0.43 0.00 1.21 -0.00 0.00 0.00 177.39 178.17 1uqv n GLU 49 N -1.79 0.00 -0.54 1.96 2.13 -1.26 -4.93 120.64 116.21 1uqv n GLU 49 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1uqv n GLU 49 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 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 -3.44 0.00 -2.97 6.31 0.24 -1.26 -5.12 118.33 112.09 1uqv n VAL 50 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.19 1uqv n VAL 50 Cb 0.00 -0.45 0.04 0.00 -1.47 0.00 0.00 33.84 31.96 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 -0.16 0.72 -1.80 7.34 0.28 -1.26 -4.57 120.64 121.20 1uqv n GLU 51 Ca 0.00 -1.76 -0.40 0.00 -0.16 0.00 0.00 57.16 54.84 1uqv n GLU 51 Cb 0.00 -0.16 -0.03 0.00 1.43 0.00 0.00 31.44 32.68 1uqv n GLU 51 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1uqv n GLU 52 N -1.75 2.29 0.00 3.44 2.13 -1.26 -3.66 120.64 121.83 1uqv n GLU 52 Ca 0.09 -2.49 0.00 0.00 0.66 0.00 0.00 57.16 55.42 1uqv n GLU 52 Cb 0.34 -3.30 0.00 0.00 0.27 0.00 0.00 31.44 28.75 1uqv n GLU 52 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1uqv n THR 53 N 6.14 0.00 -1.87 6.31 -2.24 -1.26 -5.11 114.28 116.26 1uqv n THR 53 Ca 0.49 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.88 1uqv n THR 53 Cb 0.42 -0.19 0.02 0.00 -2.10 0.00 0.00 70.33 68.48 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 -3.54 5.71 0.00 3.42 2.15 -1.24 -4.85 116.67 118.33 1uqv s ASP 54 Ca 0.00 2.77 0.00 0.00 0.43 0.00 0.00 52.55 55.75 1uqv s ASP 54 Cb 0.00 -2.64 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 1uqv s ASP 54 CO 0.00 -1.27 0.45 -2.65 -0.17 0.00 0.00 175.17 171.53 1uqv n PRO 55 N -0.51 0.00 -0.34 4.34 -0.02 -1.26 -3.35 135.00 133.86 1uqv n PRO 55 Ca 0.07 0.00 0.29 0.00 -2.02 0.00 0.00 63.50 61.84 1uqv n PRO 55 Cb 0.44 -1.47 0.62 0.00 -0.02 0.00 0.00 33.50 33.07 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 0.26 -0.85 2.45 5.85 -1.93 0.45 115.31 121.54 1uqv h LEU 56 Ca 0.00 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.70 1uqv h LEU 56 Cb 0.00 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1uqv h LEU 56 CO 0.00 0.02 -0.05 0.00 -0.34 0.00 0.00 178.44 178.08 1uqv h GLN 58 N 0.75 0.19 -0.76 0.00 5.75 -0.39 0.55 115.11 121.19 1uqv h GLN 58 Ca 0.14 -0.05 0.04 0.00 -0.15 0.00 0.00 58.65 58.63 1uqv h GLN 58 Cb 0.52 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 29.00 1uqv h GLN 58 CO 0.03 0.37 0.50 0.00 -2.65 0.00 0.00 178.83 177.08 1uqv h ARG 59 N -0.02 0.87 0.00 1.69 -0.00 -1.40 -1.30 114.38 114.23 1uqv h ARG 59 Ca 0.04 -0.05 -0.20 0.00 -0.50 0.00 0.00 59.98 59.27 1uqv h ARG 59 Cb 0.26 -0.20 -0.01 0.00 0.00 0.00 0.00 29.97 30.03 1uqv h ARG 59 CO 0.00 0.58 -0.88 -0.07 0.00 0.00 0.00 179.97 179.60 1uqv h LEU 60 N 0.90 0.24 -0.56 3.04 3.38 -1.29 -3.16 115.31 117.86 1uqv h LEU 60 Ca 0.31 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 1uqv h LEU 60 Cb 0.11 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1uqv h LEU 60 CO -0.10 1.00 0.02 -0.09 0.09 0.00 0.00 178.44 179.37 1uqv h ARG 61 N 0.10 0.97 0.96 1.13 2.43 0.03 -3.25 114.38 116.76 1uqv h ARG 61 Ca -0.04 -0.30 -0.05 0.00 -0.81 0.00 0.00 59.98 58.78 1uqv h ARG 61 Cb 1.51 -0.09 0.01 0.00 -0.42 0.00 0.00 29.97 30.98 1uqv h ARG 61 CO 0.13 0.96 -0.46 1.49 -1.51 0.00 0.00 179.97 180.59 1uqv h GLU 62 N 0.86 -1.24 -5.84 0.20 4.81 -1.32 -3.35 114.58 108.69 1uqv h GLU 62 Ca 0.16 0.08 -0.61 0.00 -0.13 0.00 0.00 59.36 58.86 1uqv h GLU 62 Cb 0.51 0.28 -0.12 0.00 0.63 0.00 0.00 28.75 30.05 1uqv h GLU 62 CO 0.02 -0.83 1.21 -0.80 -0.73 0.00 0.00 179.01 177.89 1uqv s ASN 63 N -4.07 6.46 -0.75 1.04 0.01 -1.20 -4.93 114.94 111.50 1uqv s ASN 63 Ca -0.19 -1.41 -0.24 0.00 -0.71 0.00 0.00 52.86 50.30 1uqv s ASN 63 Cb 0.02 -2.52 -0.15 0.00 0.41 0.00 0.00 41.25 39.02 1uqv s ASN 63 CO 0.59 -1.45 2.40 -0.67 -1.51 0.00 0.00 177.10 176.46 1uqv n ASP 64 N 8.32 1.54 -4.84 -1.22 -0.08 -1.26 -4.82 116.55 114.20 1uqv n ASP 64 Ca 0.24 -1.11 -0.37 0.00 -1.51 0.00 0.00 54.79 52.05 1uqv n ASP 64 Cb 0.50 -1.51 -0.07 0.00 2.34 0.00 0.00 41.12 42.39 1uqv n ASP 64 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1uqv s ILE 65 N 12.57 5.46 0.31 5.18 -1.09 -1.26 -5.09 121.20 137.29 1uqv s ILE 65 Ca 1.00 0.24 0.08 0.00 -2.23 0.00 0.00 60.65 59.73 1uqv s ILE 65 Cb -0.26 -3.43 -0.04 0.00 -1.58 0.00 0.00 42.46 37.15 1uqv s ILE 65 CO 0.19 0.57 0.18 0.54 -1.23 0.00 0.00 174.94 175.19 1uqv s VAL 66 N -0.65 3.48 0.45 2.92 0.11 -1.26 -4.61 120.40 120.84 1uqv s VAL 66 Ca 0.14 -1.57 0.11 0.00 -2.93 0.00 0.00 61.98 57.73 1uqv s VAL 66 Cb -0.12 -3.10 0.28 0.00 -1.53 0.00 0.00 36.38 31.91 1uqv s VAL 66 CO 0.03 -0.23 2.07 1.23 -3.33 0.00 0.00 175.10 174.86 1uqv h GLY 67 N 1.48 0.41 2.00 6.54 0.00 -1.76 0.55 103.07 112.29 1uqv h GLY 67 Ca -0.45 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 46.74 1uqv h GLY 67 CO 0.61 0.13 0.00 1.34 0.00 0.00 0.00 176.54 178.62 1uqv n ASP 68 N -4.49 0.50 -0.01 0.19 2.03 -1.26 -3.16 116.55 110.35 1uqv n ASP 68 Ca 0.03 0.56 0.10 0.00 0.52 0.00 0.00 54.79 56.00 1uqv n ASP 68 Cb 0.15 -0.69 -0.15 0.00 -0.72 0.00 0.00 41.12 39.71 1uqv n ASP 68 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1uqv n LEU 69 N -1.98 0.20 0.04 -2.67 7.94 0.04 -4.30 117.00 116.26 1uqv n LEU 69 Ca 0.05 -0.11 -0.11 0.00 -1.11 0.00 0.00 56.01 54.73 1uqv n LEU 69 Cb 0.35 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.24 1uqv n LEU 69 CO 0.26 0.05 0.84 -0.07 -1.11 0.00 0.00 177.39 177.36 1uqv h LEU 70 N 0.00 -0.13 -0.62 -1.96 3.38 -1.10 -2.78 115.31 112.10 1uqv h LEU 70 Ca 0.00 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1uqv h LEU 70 Cb 0.83 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 1uqv h LEU 70 CO 0.00 -0.06 -0.02 1.55 0.09 0.00 0.00 178.44 179.99 1uqv h PRO 71 N -0.07 0.00 0.00 1.13 0.13 -1.79 -3.05 132.00 128.34 1uqv h PRO 71 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1uqv h PRO 71 Cb 0.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.23 1uqv h PRO 71 CO -0.05 0.02 0.00 0.39 -0.23 0.00 0.00 178.00 178.13 1uqv n GLU 72 N -3.11 0.70 -4.19 0.86 -0.58 -1.05 -4.77 120.64 108.50 1uqv n GLU 72 Ca 0.02 0.00 -0.26 0.00 -0.42 0.00 0.00 57.16 56.50 1uqv n GLU 72 Cb 0.44 -1.47 -0.06 0.00 -0.57 0.00 0.00 31.44 29.78 1uqv n GLU 72 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1uqv s LEU 73 N -1.94 2.91 0.00 -4.62 1.43 -1.15 -5.09 118.68 110.21 1uqv s LEU 73 Ca 0.32 -1.20 0.00 0.00 -1.03 0.00 0.00 54.13 52.21 1uqv s LEU 73 Cb 0.14 -1.27 -0.00 0.00 0.03 0.00 0.00 46.19 45.09 1uqv s LEU 73 CO 0.24 -0.69 0.00 0.00 0.23 0.00 0.00 176.35 176.14 1uqv n LEU 75 N 0.00 0.22 0.31 0.00 4.77 -1.26 -2.54 117.00 118.50 1uqv n LEU 75 Ca -0.00 0.58 -0.13 0.00 -0.03 0.00 0.00 56.01 56.43 1uqv n LEU 75 Cb 0.02 -0.58 -0.06 0.00 -2.33 0.00 0.00 43.42 40.47 1uqv n LEU 75 CO 0.01 -0.53 0.41 -0.61 -1.33 0.00 0.00 177.39 175.34 1uqv h GLN 76 N 0.00 -0.79 -0.17 3.23 5.75 -1.99 -0.63 115.11 120.51 1uqv h GLN 76 Ca 0.00 0.05 -0.10 0.00 -0.15 0.00 0.00 58.65 58.45 1uqv h GLN 76 Cb 0.13 0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.85 1uqv h GLN 76 CO 0.00 -0.53 -0.35 0.22 -2.65 0.00 0.00 178.83 175.52 1uqv h ASP 77 N -0.99 0.37 -0.78 -0.69 3.58 -1.95 -2.47 116.42 113.49 1uqv h ASP 77 Ca -0.08 -0.14 -0.01 0.00 0.42 0.00 0.00 57.03 57.21 1uqv h ASP 77 Cb 0.63 -0.10 -0.04 0.00 1.72 0.00 0.00 39.33 41.54 1uqv h ASP 77 CO 0.14 0.70 0.45 0.00 -2.88 0.00 0.00 179.24 177.64 1uqv h GLN 79 N 1.07 0.44 0.00 0.00 4.15 -0.92 -2.54 115.11 117.32 1uqv h GLN 79 Ca 0.28 -0.22 -0.02 0.00 0.77 0.00 0.00 58.65 59.45 1uqv h GLN 79 Cb -0.00 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.69 1uqv h GLN 79 CO -0.05 0.78 -0.10 0.22 -1.93 0.00 0.00 178.83 177.75 1uqv h ASP 80 N 0.36 0.00 0.93 -0.69 3.58 -0.93 -2.26 116.42 117.40 1uqv h ASP 80 Ca 0.03 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 1uqv h ASP 80 Cb 0.89 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.93 1uqv h ASP 80 CO 0.07 0.10 -0.04 -0.07 -2.88 0.00 0.00 179.24 176.43 1uqv h LEU 81 N 0.00 0.00-10.01 2.28 -0.00 -0.80 -3.44 115.31 103.34 1uqv h LEU 81 Ca -0.00 0.00 -0.51 0.00 -0.00 0.00 0.00 57.88 57.37 1uqv h LEU 81 Cb 0.51 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.13 1uqv h LEU 81 CO 0.01 0.04 -0.46 0.00 -0.00 0.00 0.00 178.44 178.03 1uqv h ASP 83 N 1.29 0.00 0.00 0.00 5.19 -1.85 -3.42 116.42 117.62 1uqv h ASP 83 Ca -0.44 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 1uqv h ASP 83 Cb 1.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.76 1uqv h ASP 83 CO 0.59 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 177.32 1uqv n GLY 84 N -1.04 -0.82 3.63 2.75 0.00 -1.26 -5.12 105.19 103.33 1uqv n GLY 84 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 6.85 0.10 1.61 2.15 -1.26 -4.94 116.67 121.18 1uqv s ASP 85 Ca 0.00 0.94 -0.19 0.00 0.43 0.00 0.00 52.55 53.73 1uqv s ASP 85 Cb 0.00 -2.49 -0.07 0.00 -0.30 0.00 0.00 42.92 40.06 1uqv s ASP 85 CO 0.00 -0.77 1.59 0.25 -0.17 0.00 0.00 175.17 176.08 1uqv h LEU 86 N 9.80 0.40 -1.51 -1.34 5.85 -1.99 -2.86 115.31 123.66 1uqv h LEU 86 Ca -0.22 -0.23 0.23 0.00 0.84 0.00 0.00 57.88 58.51 1uqv h LEU 86 Cb 1.07 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.93 1uqv h LEU 86 CO 0.97 0.52 0.64 0.78 -0.34 0.00 0.00 178.44 181.01 1uqv h ASN 87 N 0.25 0.38 -0.05 1.25 2.35 -2.00 -0.35 115.58 117.41 1uqv h ASN 87 Ca 0.08 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 1uqv h ASN 87 Cb 0.28 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.63 1uqv h ASN 87 CO 0.00 0.12 0.00 0.50 -1.65 0.00 0.00 177.43 176.41 1uqv h LYS 88 N 0.37 0.09 -0.41 0.81 1.63 -1.92 -2.76 116.57 114.37 1uqv h LYS 88 Ca 0.51 -0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 60.22 1uqv h LYS 88 Cb 1.36 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.96 1uqv h LYS 88 CO -0.20 0.35 -0.02 0.00 -3.45 0.00 0.00 179.45 176.13 1uqv h ALA 89 N 0.73 1.20 0.94 5.00 0.00 -1.12 -2.36 119.26 123.66 1uqv h ALA 89 Ca 0.01 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 1uqv h ALA 89 Cb 0.31 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.94 1uqv h ALA 89 CO 0.00 0.52 -0.47 0.82 0.00 0.00 0.00 179.25 180.12 1uqv h ILE 90 N 0.62 0.05 -0.11 0.00 2.04 -1.06 -1.47 117.51 117.58 1uqv h ILE 90 Ca 0.12 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.02 1uqv h ILE 90 Cb 0.42 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1uqv h ILE 90 CO 0.02 0.00 0.09 0.11 0.00 0.00 0.00 178.15 178.37 1uqv h LYS 91 N -1.28 0.00 0.70 2.37 1.79 -1.49 -1.20 116.57 117.45 1uqv h LYS 91 Ca -0.13 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.31 1uqv h LYS 91 Cb 0.99 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.65 1uqv h LYS 91 CO 0.20 0.00 -0.33 0.35 -1.08 0.00 0.00 179.45 178.59 1uqv h PHE 92 N 0.00 -0.87 -0.01 -1.35 3.57 -1.01 -1.48 116.94 115.79 1uqv h PHE 92 Ca 0.05 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1uqv h PHE 92 Cb 0.22 0.29 -0.00 0.00 2.79 0.00 0.00 35.95 39.25 1uqv h PHE 92 CO 0.00 -0.54 0.01 -0.22 -2.23 0.00 0.00 178.31 175.33 1uqv h LYS 93 N -1.09 0.00 0.19 1.11 3.64 -1.00 -2.70 116.57 116.72 1uqv h LYS 93 Ca -0.10 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1uqv h LYS 93 Cb 0.72 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1uqv h LYS 93 CO 0.16 0.00 -0.09 0.82 -2.27 0.00 0.00 179.45 178.07 1uqv h ILE 94 N 0.00 0.00 -1.20 2.00 2.04 -1.06 -0.73 117.51 118.57 1uqv h ILE 94 Ca 0.00 -0.15 0.35 0.00 1.00 0.00 0.00 64.86 66.06 1uqv h ILE 94 Cb 0.02 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.05 1uqv h ILE 94 CO -0.00 0.00 0.86 -0.07 0.00 0.00 0.00 178.15 178.94 1uqv h LEU 95 N -0.40 0.03 0.05 1.44 3.38 -1.19 0.48 115.31 119.10 1uqv h LEU 95 Ca -0.03 0.01 -0.28 0.00 0.09 0.00 0.00 57.88 57.67 1uqv h LEU 95 Cb 0.20 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.97 1uqv h LEU 95 CO 0.04 0.00 -1.16 0.40 0.09 0.00 0.00 178.44 177.81 1uqv h ILE 96 N 0.02 1.30 -0.25 1.22 2.04 -1.48 -2.48 117.51 117.88 1uqv h ILE 96 Ca 0.58 -2.44 -0.04 0.00 1.00 0.00 0.00 64.86 63.96 1uqv h ILE 96 Cb 2.26 2.59 -0.01 0.00 -0.74 0.00 0.00 36.82 40.93 1uqv h ILE 96 CO -0.03 0.74 -0.01 -1.13 0.00 0.00 0.00 178.15 177.72 1uqv h ASN 97 N 0.29 0.44 0.29 1.72 -1.24 0.15 -1.04 115.58 116.18 1uqv h ASN 97 Ca -0.16 -0.32 -0.01 0.00 0.71 0.00 0.00 56.30 56.52 1uqv h ASN 97 Cb 1.83 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 40.76 1uqv h ASN 97 CO 0.22 0.65 -0.14 0.11 -1.29 0.00 0.00 177.43 176.98 1uqv h LYS 98 N 0.21 -0.37 -0.65 6.67 1.79 -1.19 -2.50 116.57 120.54 1uqv h LYS 98 Ca 0.07 0.03 0.07 0.00 -2.18 0.00 0.00 60.65 58.64 1uqv h LYS 98 Cb 0.43 0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 31.13 1uqv h LYS 98 CO 0.01 -0.12 0.43 1.98 -1.08 0.00 0.00 179.45 180.67 1uqv h MET 99 N -0.58 0.58 -0.55 3.15 4.05 -1.48 -1.23 114.93 118.86 1uqv h MET 99 Ca -0.04 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.33 1uqv h MET 99 Cb 0.42 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 31.06 1uqv h MET 99 CO 0.06 0.38 0.29 -0.09 0.23 0.00 0.00 176.91 177.79 1uqv h ARG 100 N 0.60 0.78 0.17 0.39 2.43 -0.98 -3.30 114.38 114.46 1uqv h ARG 100 Ca 0.28 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1uqv h ARG 100 Cb 0.35 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1uqv h ARG 100 CO -0.09 0.62 -0.08 0.22 -1.51 0.00 0.00 179.97 179.13 1uqv h ASP 101 N 0.75 -0.19 -4.67 -3.80 3.58 -0.86 -3.49 116.42 107.73 1uqv h ASP 101 Ca 0.19 0.01 0.09 0.00 0.42 0.00 0.00 57.03 57.74 1uqv h ASP 101 Cb 0.08 0.05 -0.15 0.00 1.72 0.00 0.00 39.33 41.02 1uqv h ASP 101 CO -0.03 -0.05 0.45 -0.94 -2.88 0.00 0.00 179.24 175.79 1uqv s SER 102 N -3.30 -0.40 -0.04 2.28 1.04 -0.56 -5.06 113.70 107.65 1uqv s SER 102 Ca -0.03 0.04 0.20 0.00 0.48 0.00 0.00 55.95 56.64 1uqv s SER 102 Cb 0.00 0.41 0.35 0.00 0.10 0.00 0.00 66.02 66.89 1uqv s SER 102 CO 0.10 -0.65 1.14 1.17 0.98 0.00 0.00 173.24 175.98 1uqv n LYS 103 N -0.18 0.25 0.00 4.02 3.00 -1.26 -4.29 118.16 119.70 1uqv n LYS 103 Ca -0.10 -1.95 0.00 0.00 -0.00 0.00 0.00 58.31 56.26 1uqv n LYS 103 Cb 0.62 -0.07 0.00 0.00 0.00 0.00 0.00 35.03 35.58 1uqv n LYS 103 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1uqv n LEU 104 N 0.20 0.00 -2.04 3.14 7.94 -1.26 -4.96 117.00 120.02 1uqv n LEU 104 Ca -0.02 0.00 -0.23 0.00 -1.11 0.00 0.00 56.01 54.65 1uqv n LEU 104 Cb 1.01 0.07 0.08 0.00 0.53 0.00 0.00 43.42 45.11 1uqv n LEU 104 CO -0.05 -0.07 1.26 1.21 -1.11 0.00 0.00 177.39 178.62 1uqv n GLU 105 N -1.39 2.14 -0.71 1.96 4.07 -1.26 -4.31 120.64 121.14 1uqv n GLU 105 Ca 0.00 -2.35 0.08 0.00 -0.06 0.00 0.00 57.16 54.83 1uqv n GLU 105 Cb 0.00 -1.92 0.36 0.00 -0.06 0.00 0.00 31.44 29.82 1uqv n GLU 105 CO 0.00 0.00 0.00 -2.67 -0.06 0.00 0.00 177.13 174.40 1uqv n TRP 106 N -0.41 1.66 -3.53 4.31 -0.00 -1.26 -4.79 117.44 113.41 1uqv n TRP 106 Ca 0.46 -0.71 -0.41 0.00 -0.00 0.00 0.00 57.50 56.84 1uqv n TRP 106 Cb 0.86 -0.38 -0.06 0.00 -0.00 0.00 0.00 31.31 31.73 1uqv n TRP 106 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 177.69 177.90 1uqv s LYS 107 N -2.42 3.15 0.00 -2.67 2.47 -1.26 -5.14 119.74 113.87 1uqv s LYS 107 Ca 0.51 -2.62 0.00 0.00 -1.56 0.00 0.00 55.97 52.30 1uqv s LYS 107 Cb 0.37 -4.08 0.00 0.00 -1.46 0.00 0.00 37.83 32.65 1uqv s LYS 107 CO 0.18 -1.23 0.37 -0.25 0.16 0.00 0.00 175.35 174.57