#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 -2.27 1.61 3.41 -1.26 -5.10 113.62 110.01 1uqv n SER 25 Ca 0.00 -1.42 -0.01 0.00 -0.26 0.00 0.00 58.87 57.17 1uqv n SER 25 Cb 0.00 -0.08 -0.01 0.00 -0.26 0.00 0.00 64.21 63.85 1uqv n SER 25 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1uqv n HIS 26 N 0.00 -4.25 -0.94 7.33 -0.00 -1.26 -5.00 115.22 111.10 1uqv n HIS 26 Ca 0.00 2.52 0.01 0.00 -0.00 0.00 0.00 57.72 60.24 1uqv n HIS 26 Cb 0.58 -3.66 0.01 0.00 -0.00 0.00 0.00 29.99 26.93 1uqv n HIS 26 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 1uqv n MET 27 N 1.61 0.77 -0.04 -0.41 0.00 -1.26 -4.89 117.12 112.90 1uqv n MET 27 Ca -0.09 -0.96 -0.04 0.00 0.00 0.00 0.00 57.70 56.61 1uqv n MET 27 Cb 0.14 -0.68 -0.01 0.00 0.00 0.00 0.00 33.22 32.67 1uqv n MET 27 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1uqv n ASN 28 N -0.21 0.91 -4.02 7.83 3.02 -1.26 -5.02 115.26 116.51 1uqv n ASN 28 Ca 0.01 0.20 -0.21 0.00 -0.03 0.00 0.00 54.58 54.55 1uqv n ASN 28 Cb 0.49 -0.62 -0.16 0.00 -0.61 0.00 0.00 39.78 38.88 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 -4.86 1.34 0.00 6.41 4.22 -1.26 -5.01 114.94 115.78 1uqv s ASN 29 Ca -0.13 -0.21 0.00 0.00 -2.14 0.00 0.00 52.86 50.38 1uqv s ASN 29 Cb 0.02 -0.37 0.00 0.00 1.28 0.00 0.00 41.25 42.18 1uqv s ASN 29 CO 0.19 0.07 0.00 1.21 -2.04 0.00 0.00 177.10 176.53 1uqv n GLU 30 N 3.30 0.00 -3.43 3.55 2.13 -1.26 -5.00 120.64 119.92 1uqv n GLU 30 Ca -0.18 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.41 1uqv n GLU 30 Cb 0.54 -0.30 -0.11 0.00 0.27 0.00 0.00 31.44 31.84 1uqv n GLU 30 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1uqv s ASP 31 N -3.58 2.24 0.61 4.31 1.01 -1.26 -4.99 116.67 115.00 1uqv s ASP 31 Ca 0.00 -1.50 0.28 0.00 0.71 0.00 0.00 52.55 52.04 1uqv s ASP 31 Cb 0.00 0.11 1.40 0.00 1.01 0.00 0.00 42.92 45.44 1uqv s ASP 31 CO 0.00 -0.34 1.80 0.15 0.21 0.00 0.00 175.17 177.00 1uqv h PHE 32 N 7.58 0.00 0.00 4.23 3.04 -1.98 0.38 116.94 130.20 1uqv h PHE 32 Ca -0.04 0.00 -0.26 0.00 3.98 0.00 0.00 57.97 61.65 1uqv h PHE 32 Cb 1.03 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.49 1uqv h PHE 32 CO 0.34 0.00 -1.64 0.45 -2.02 0.00 0.00 178.31 175.44 1uqv n SER 33 N -3.50 0.86 -1.26 0.41 2.88 -1.26 -4.14 113.62 107.62 1uqv n SER 33 Ca 0.08 0.40 -0.01 0.00 -1.33 0.00 0.00 58.87 58.02 1uqv n SER 33 Cb 0.74 0.01 0.24 0.00 -0.75 0.00 0.00 64.21 64.44 1uqv n SER 33 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1uqv n GLN 34 N -3.00 2.57 -2.46 -1.46 1.13 0.10 -4.81 117.38 109.45 1uqv n GLN 34 Ca -0.15 -3.03 -0.39 0.00 -1.94 0.00 0.00 57.00 51.50 1uqv n GLN 34 Cb 1.00 -1.92 -0.04 0.00 0.11 0.00 0.00 30.24 29.39 1uqv n GLN 34 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 1uqv s TRP 35 N -3.05 3.38 0.44 1.08 0.51 0.66 -4.86 118.94 117.10 1uqv s TRP 35 Ca 0.46 1.65 0.07 0.00 -2.12 0.00 0.00 56.10 56.17 1uqv s TRP 35 Cb 0.39 -3.25 0.07 0.00 -0.81 0.00 0.00 33.47 29.87 1uqv s TRP 35 CO 0.06 -0.72 0.58 0.45 -0.51 0.00 0.00 176.95 176.81 1uqv n SER 36 N 0.55 1.72 0.30 2.95 2.88 -1.26 -4.45 113.62 116.31 1uqv n SER 36 Ca 0.02 -2.22 -0.16 0.00 -1.33 0.00 0.00 58.87 55.17 1uqv n SER 36 Cb 0.47 -0.29 -0.09 0.00 -0.75 0.00 0.00 64.21 63.55 1uqv n SER 36 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1uqv h VAL 37 N 0.15 0.46 -0.20 2.46 2.07 -1.97 -2.05 116.25 117.16 1uqv h VAL 37 Ca -0.22 -0.09 0.06 0.00 0.82 0.00 0.00 66.70 67.27 1uqv h VAL 37 Cb 0.97 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1uqv h VAL 37 CO 0.31 0.01 0.19 -2.24 0.02 0.00 0.00 177.57 175.87 1uqv h ASP 38 N -0.78 0.00 0.34 0.57 2.03 -1.96 -1.75 116.42 114.87 1uqv h ASP 38 Ca -0.07 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.21 1uqv h ASP 38 Cb 0.58 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.09 1uqv h ASP 38 CO 0.12 0.00 -0.16 0.44 -1.03 0.00 0.00 179.24 178.61 1uqv h ASP 39 N 0.00 -0.39 -0.44 4.15 5.19 -1.86 -2.65 116.42 120.42 1uqv h ASP 39 Ca 0.09 -0.00 0.07 0.00 -0.62 0.00 0.00 57.03 56.57 1uqv h ASP 39 Cb 0.47 0.10 -0.02 0.00 0.18 0.00 0.00 39.33 40.06 1uqv h ASP 39 CO -0.00 0.06 0.30 0.58 -3.12 0.00 0.00 179.24 177.06 1uqv h VAL 40 N -1.12 0.93 0.40 -1.35 2.07 -1.15 -2.48 116.25 113.56 1uqv h VAL 40 Ca -0.05 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1uqv h VAL 40 Cb 0.37 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1uqv h VAL 40 CO 0.08 0.05 -0.19 0.40 0.02 0.00 0.00 177.57 177.93 1uqv h ILE 41 N 0.29 0.00 -0.47 4.57 2.04 -1.41 -1.97 117.51 120.57 1uqv h ILE 41 Ca 0.20 -0.39 0.09 0.00 1.00 0.00 0.00 64.86 65.76 1uqv h ILE 41 Cb 0.41 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.39 1uqv h ILE 41 CO -0.04 0.00 -0.30 0.74 0.00 0.00 0.00 178.15 178.55 1uqv h THR 42 N -0.93 0.25 -0.41 -0.27 2.02 -1.37 -0.97 112.91 111.23 1uqv h THR 42 Ca -0.06 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.14 1uqv h THR 42 Cb 0.42 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 1uqv h THR 42 CO 0.09 0.00 0.23 -0.25 0.37 0.00 0.00 175.52 175.96 1uqv h TRP 43 N -0.19 0.44 0.11 3.16 7.01 -1.57 -1.44 115.95 123.47 1uqv h TRP 43 Ca 0.20 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.22 1uqv h TRP 43 Cb 0.52 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.43 1uqv h TRP 43 CO -0.55 0.25 -0.18 0.00 -2.79 0.00 0.00 178.44 175.17 1uqv h ILE 45 N -0.31 0.47 0.00 0.00 2.04 -1.23 0.86 117.51 119.34 1uqv h ILE 45 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1uqv h ILE 45 Cb 0.29 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1uqv h ILE 45 CO -0.06 0.00 0.05 -1.54 0.00 0.00 0.00 178.15 176.60 1uqv n SER 46 N -5.35 0.24 0.00 1.72 3.41 -0.55 -1.79 113.62 111.31 1uqv n SER 46 Ca -0.01 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 1uqv n SER 46 Cb 0.26 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 1uqv n SER 46 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1uqv n THR 47 N -1.81 0.12 0.00 6.66 -2.24 -0.15 -4.92 114.28 111.94 1uqv n THR 47 Ca -0.01 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1uqv n THR 47 Cb 0.06 1.31 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 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 -0.06 0.08 0.06 3.22 0.00 0.28 -5.03 117.00 115.56 1uqv n LEU 48 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 56.01 56.13 1uqv n LEU 48 Cb 0.19 -0.45 0.00 0.00 0.00 0.00 0.00 43.42 43.16 1uqv n LEU 48 CO 0.00 -0.45 0.00 -0.62 0.00 0.00 0.00 177.39 176.32 1uqv n GLU 49 N -2.25 0.00 -0.98 1.96 1.02 -1.23 -5.04 120.64 114.12 1uqv n GLU 49 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1uqv n GLU 49 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1uqv n GLU 49 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1uqv n VAL 50 N -2.87 0.00 -3.04 2.62 0.24 -1.26 -5.03 118.33 108.99 1uqv n VAL 50 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.22 1uqv n VAL 50 Cb 0.00 -0.99 0.03 0.00 -1.47 0.00 0.00 33.84 31.41 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 -0.95 0.84 -1.97 7.34 0.28 -1.26 -4.05 120.64 120.86 1uqv n GLU 51 Ca 0.00 -1.32 -0.41 0.00 -0.16 0.00 0.00 57.16 55.27 1uqv n GLU 51 Cb 0.00 -0.09 -0.01 0.00 1.43 0.00 0.00 31.44 32.76 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 -1.52 2.66 0.01 3.44 1.02 -1.26 -3.87 120.64 121.12 1uqv n GLU 52 Ca 0.07 -2.71 0.00 0.00 -0.02 0.00 0.00 57.16 54.49 1uqv n GLU 52 Cb 0.25 -3.35 0.00 0.00 -0.02 0.00 0.00 31.44 28.32 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 5.93 0.00 -1.74 2.62 -2.24 -1.26 -5.11 114.28 112.49 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 -0.45 0.05 0.00 -2.10 0.00 0.00 70.33 68.25 1uqv n THR 53 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1uqv n ASP 54 N -2.55 2.55 0.00 3.42 2.03 -1.25 -4.82 116.55 115.93 1uqv n ASP 54 Ca 0.00 0.96 0.00 0.00 0.52 0.00 0.00 54.79 56.27 1uqv n ASP 54 Cb 0.00 -1.57 0.00 0.00 -0.72 0.00 0.00 41.12 38.83 1uqv n ASP 54 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1uqv n PRO 55 N -1.08 0.00 -0.33 -0.67 -0.02 -1.26 -3.13 135.00 128.51 1uqv n PRO 55 Ca 0.11 0.02 0.21 0.00 -2.02 0.00 0.00 63.50 61.82 1uqv n PRO 55 Cb 0.45 -1.50 0.47 0.00 -0.02 0.00 0.00 33.50 32.89 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 0.52 -0.32 2.45 5.85 -1.94 0.32 115.31 122.19 1uqv h LEU 56 Ca 0.00 0.10 -0.19 0.00 0.84 0.00 0.00 57.88 58.62 1uqv h LEU 56 Cb 0.01 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1uqv h LEU 56 CO 0.00 0.10 -0.84 0.00 -0.34 0.00 0.00 178.44 177.36 1uqv h GLN 58 N 0.14 0.61 0.05 0.00 1.08 -0.62 -1.09 115.11 115.29 1uqv h GLN 58 Ca -0.04 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.11 1uqv h GLN 58 Cb 1.45 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.74 1uqv h GLN 58 CO 0.13 0.42 -0.03 0.00 -0.95 0.00 0.00 178.83 178.40 1uqv h ARG 59 N 0.63 -0.07 -0.86 1.46 2.47 -1.40 -2.44 114.38 114.17 1uqv h ARG 59 Ca 0.17 0.00 0.21 0.00 -1.26 0.00 0.00 59.98 59.10 1uqv h ARG 59 Cb -0.05 0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 28.23 1uqv h ARG 59 CO -0.03 0.39 0.58 -0.07 0.56 0.00 0.00 179.97 181.40 1uqv h LEU 60 N -0.97 0.29 0.05 3.04 3.38 -1.42 -0.27 115.31 119.40 1uqv h LEU 60 Ca -0.01 0.03 -0.25 0.00 0.09 0.00 0.00 57.88 57.74 1uqv h LEU 60 Cb 0.49 -0.02 0.02 0.00 0.09 0.00 0.00 40.66 41.23 1uqv h LEU 60 CO 0.01 0.12 -1.01 -0.09 0.09 0.00 0.00 178.44 177.56 1uqv h ARG 61 N 0.29 0.59 -0.03 1.13 2.43 -1.29 -3.19 114.38 114.31 1uqv h ARG 61 Ca 0.44 -0.71 0.01 0.00 -0.81 0.00 0.00 59.98 58.91 1uqv h ARG 61 Cb 1.25 0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 31.02 1uqv h ARG 61 CO -0.12 1.30 0.03 1.49 -1.51 0.00 0.00 179.97 181.16 1uqv h GLU 62 N 0.20 0.00 -3.58 0.20 4.57 -0.56 -3.29 114.58 112.12 1uqv h GLU 62 Ca -0.14 0.00 -0.71 0.00 -1.18 0.00 0.00 59.36 57.33 1uqv h GLU 62 Cb 1.70 0.00 -0.34 0.00 -0.16 0.00 0.00 28.75 29.94 1uqv h GLU 62 CO 0.20 0.00 -0.30 -0.80 -1.18 0.00 0.00 179.01 176.93 1uqv s ASN 63 N -6.42 5.42 -0.33 1.04 0.01 -0.70 -5.04 114.94 108.92 1uqv s ASN 63 Ca -0.05 -2.89 -0.34 0.00 -0.71 0.00 0.00 52.86 48.88 1uqv s ASN 63 Cb 0.16 -1.90 -0.10 0.00 0.41 0.00 0.00 41.25 39.82 1uqv s ASN 63 CO 0.59 -0.38 2.20 -0.67 -1.51 0.00 0.00 177.10 177.34 1uqv n ASP 64 N 3.47 2.34 -4.01 -1.22 -0.08 -1.24 -4.84 116.55 110.96 1uqv n ASP 64 Ca 0.09 0.35 -0.19 0.00 -1.51 0.00 0.00 54.79 53.54 1uqv n ASP 64 Cb 0.39 -1.32 -0.15 0.00 2.34 0.00 0.00 41.12 42.38 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 7.61 0.70 0.36 5.18 -1.09 -1.26 -5.15 121.20 127.54 1uqv s ILE 65 Ca 1.08 -0.37 0.08 0.00 -2.23 0.00 0.00 60.65 59.21 1uqv s ILE 65 Cb -0.75 -0.59 -0.02 0.00 -1.58 0.00 0.00 42.46 39.52 1uqv s ILE 65 CO 0.46 0.20 0.32 0.54 -1.23 0.00 0.00 174.94 175.23 1uqv s VAL 66 N -0.14 3.28 0.61 2.92 0.11 -1.26 -4.56 120.40 121.35 1uqv s VAL 66 Ca 0.02 -1.36 0.32 0.00 -2.93 0.00 0.00 61.98 58.04 1uqv s VAL 66 Cb -0.04 -3.13 0.37 0.00 -1.53 0.00 0.00 36.38 32.05 1uqv s VAL 66 CO -0.00 -0.12 2.24 1.23 -3.33 0.00 0.00 175.10 175.11 1uqv h GLY 67 N 1.18 0.00 1.68 6.54 0.00 -1.78 0.47 103.07 111.16 1uqv h GLY 67 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1uqv h GLY 67 CO 0.58 0.00 0.00 1.34 0.00 0.00 0.00 176.54 178.46 1uqv n ASP 68 N -3.68 0.00 -0.00 0.19 2.03 -1.26 -2.87 116.55 110.95 1uqv n ASP 68 Ca -0.02 0.07 0.08 0.00 0.52 0.00 0.00 54.79 55.44 1uqv n ASP 68 Cb 0.14 -0.34 -0.12 0.00 -0.72 0.00 0.00 41.12 40.08 1uqv n ASP 68 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1uqv n LEU 69 N -1.34 0.37 0.04 -2.67 4.32 0.15 -4.26 117.00 113.61 1uqv n LEU 69 Ca 0.11 -0.23 -0.13 0.00 -0.02 0.00 0.00 56.01 55.74 1uqv n LEU 69 Cb 0.22 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 41.94 1uqv n LEU 69 CO 0.20 0.09 0.76 -0.07 -1.22 0.00 0.00 177.39 177.16 1uqv h LEU 70 N 0.00 -0.04 -0.29 2.23 3.38 -1.45 -1.43 115.31 117.70 1uqv h LEU 70 Ca 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1uqv h LEU 70 Cb 0.61 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1uqv h LEU 70 CO 0.00 0.16 -0.08 -0.81 0.09 0.00 0.00 178.44 177.80 1uqv n PRO 71 N -5.02 0.87 -0.06 1.13 -0.04 -1.26 -3.72 135.00 126.90 1uqv n PRO 71 Ca -0.08 -0.29 -0.13 0.00 -0.04 0.00 0.00 63.50 62.96 1uqv n PRO 71 Cb 0.13 -1.49 -0.14 0.00 -0.04 0.00 0.00 33.50 31.95 1uqv n PRO 71 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1uqv n GLU 72 N -0.81 0.68 -2.29 0.54 2.13 -1.13 -4.97 120.64 114.79 1uqv n GLU 72 Ca 0.17 0.18 -0.25 0.00 0.66 0.00 0.00 57.16 57.91 1uqv n GLU 72 Cb 0.26 -1.66 0.08 0.00 0.27 0.00 0.00 31.44 30.39 1uqv n GLU 72 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1uqv s LEU 73 N -6.15 2.89 0.00 4.31 1.43 -0.55 -5.09 118.68 115.51 1uqv s LEU 73 Ca -0.14 0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.25 1uqv s LEU 73 Cb 0.07 -2.90 0.00 0.00 0.03 0.00 0.00 46.19 43.39 1uqv s LEU 73 CO 0.78 -1.63 0.00 0.00 0.23 0.00 0.00 176.35 175.73 1uqv n LEU 75 N 0.00 0.04 0.30 0.00 4.77 -1.26 -2.96 117.00 117.89 1uqv n LEU 75 Ca 0.00 0.51 -0.16 0.00 -0.03 0.00 0.00 56.01 56.33 1uqv n LEU 75 Cb 0.00 -0.51 -0.08 0.00 -2.33 0.00 0.00 43.42 40.50 1uqv n LEU 75 CO 0.00 -0.38 0.56 -0.61 -1.33 0.00 0.00 177.39 175.63 1uqv h GLN 76 N 0.00 -0.74 0.00 3.23 -0.00 -2.00 -1.04 115.11 114.56 1uqv h GLN 76 Ca 0.00 0.05 -0.07 0.00 -0.00 0.00 0.00 58.65 58.63 1uqv h GLN 76 Cb 0.15 0.17 -0.01 0.00 0.00 0.00 0.00 27.48 27.79 1uqv h GLN 76 CO 0.00 -0.44 -0.34 0.22 0.00 0.00 0.00 178.83 178.27 1uqv h ASP 77 N -0.94 0.00 0.10 -0.69 3.58 -1.94 -2.59 116.42 113.94 1uqv h ASP 77 Ca -0.08 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.37 1uqv h ASP 77 Cb 0.64 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.69 1uqv h ASP 77 CO 0.13 0.34 -0.05 0.00 -2.88 0.00 0.00 179.24 176.78 1uqv h GLN 79 N -0.46 0.84 -0.17 0.00 4.15 -1.18 -1.98 115.11 116.31 1uqv h GLN 79 Ca -0.01 -0.19 -0.05 0.00 0.77 0.00 0.00 58.65 59.16 1uqv h GLN 79 Cb 0.39 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 1uqv h GLN 79 CO 0.02 0.79 -0.13 0.22 -1.93 0.00 0.00 178.83 177.80 1uqv h ASP 80 N 0.80 0.26 0.88 -0.69 1.82 -1.40 -0.99 116.42 117.11 1uqv h ASP 80 Ca 0.17 -0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.75 1uqv h ASP 80 Cb 0.36 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.30 1uqv h ASP 80 CO 0.01 0.42 0.00 0.18 -1.61 0.00 0.00 179.24 178.23 1uqv n LEU 81 N -4.26 0.49 -4.82 2.28 4.32 -0.29 -4.75 117.00 109.97 1uqv n LEU 81 Ca -0.00 0.59 -0.25 0.00 -0.02 0.00 0.00 56.01 56.33 1uqv n LEU 81 Cb 0.28 -0.49 -0.05 0.00 -1.62 0.00 0.00 43.42 41.53 1uqv n LEU 81 CO 0.38 -0.34 -0.19 0.00 -1.22 0.00 0.00 177.39 176.01 1uqv h ASP 83 N 2.08 0.00 0.00 0.00 3.58 -1.85 -3.44 116.42 116.78 1uqv h ASP 83 Ca -0.48 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.97 1uqv h ASP 83 Cb 1.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.26 1uqv h ASP 83 CO 0.62 0.06 0.00 0.61 -2.88 0.00 0.00 179.24 177.65 1uqv n GLY 84 N -0.98 0.07 3.61 -0.78 0.00 -1.26 -5.11 105.19 100.74 1uqv n GLY 84 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 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 6.26 0.08 1.61 2.15 -1.26 -4.89 116.67 120.62 1uqv s ASP 85 Ca 0.00 1.12 -0.20 0.00 0.43 0.00 0.00 52.55 53.90 1uqv s ASP 85 Cb 0.00 -2.53 -0.10 0.00 -0.30 0.00 0.00 42.92 39.99 1uqv s ASP 85 CO 0.00 -1.44 1.57 0.25 -0.17 0.00 0.00 175.17 175.38 1uqv h LEU 86 N 12.37 0.30 -1.81 -1.34 5.85 -1.99 -2.74 115.31 125.96 1uqv h LEU 86 Ca -0.30 -0.24 0.19 0.00 0.84 0.00 0.00 57.88 58.38 1uqv h LEU 86 Cb 1.13 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.04 1uqv h LEU 86 CO 1.05 0.46 0.53 0.78 -0.34 0.00 0.00 178.44 180.92 1uqv h ASN 87 N 0.13 0.17 -0.34 1.25 2.35 -2.00 -0.15 115.58 116.99 1uqv h ASN 87 Ca 0.06 0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.74 1uqv h ASN 87 Cb 0.28 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 1uqv h ASN 87 CO 0.00 0.08 -0.13 0.50 -1.65 0.00 0.00 177.43 176.23 1uqv h LYS 88 N 0.18 0.69 -0.15 0.81 1.63 -1.89 -2.76 116.57 115.07 1uqv h LYS 88 Ca 0.37 -0.29 -0.12 0.00 -0.85 0.00 0.00 60.65 59.76 1uqv h LYS 88 Cb 1.20 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.79 1uqv h LYS 88 CO -0.07 0.88 -0.42 0.00 -3.45 0.00 0.00 179.45 176.39 1uqv h ALA 89 N 0.79 0.99 0.37 5.00 0.00 -0.98 -2.56 119.26 122.87 1uqv h ALA 89 Ca 0.08 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1uqv h ALA 89 Cb 0.66 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1uqv h ALA 89 CO 0.04 0.62 -0.18 0.82 0.00 0.00 0.00 179.25 180.56 1uqv h ILE 90 N 0.29 0.65 -0.73 0.00 2.04 -1.17 -1.85 117.51 116.74 1uqv h ILE 90 Ca 0.02 -0.13 0.02 0.00 1.00 0.00 0.00 64.86 65.77 1uqv h ILE 90 Cb 0.87 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.63 1uqv h ILE 90 CO 0.07 0.03 0.48 0.11 0.00 0.00 0.00 178.15 178.84 1uqv h LYS 91 N -0.57 0.91 0.67 2.37 1.79 -1.50 -1.40 116.57 118.85 1uqv h LYS 91 Ca -0.05 -0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 58.34 1uqv h LYS 91 Cb 0.42 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.86 1uqv h LYS 91 CO 0.08 0.60 -0.44 0.35 -1.08 0.00 0.00 179.45 178.96 1uqv h PHE 92 N 0.94 -1.19 -1.00 -1.35 3.57 -1.18 -0.94 116.94 115.78 1uqv h PHE 92 Ca 0.28 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.88 1uqv h PHE 92 Cb -0.03 0.43 -0.08 0.00 2.79 0.00 0.00 35.95 39.07 1uqv h PHE 92 CO -0.00 -0.65 0.63 -0.22 -2.23 0.00 0.00 178.31 175.84 1uqv h LYS 93 N -1.06 1.01 0.54 1.11 3.11 -1.18 -2.60 116.57 117.50 1uqv h LYS 93 Ca -0.09 -0.06 -0.02 0.00 -2.81 0.00 0.00 60.65 57.67 1uqv h LYS 93 Cb 0.86 -0.23 -0.01 0.00 -1.00 0.00 0.00 32.23 31.85 1uqv h LYS 93 CO 0.07 0.67 -0.42 0.82 -2.81 0.00 0.00 179.45 177.78 1uqv h ILE 94 N 1.04 0.00 -1.15 2.00 2.04 -0.97 -0.65 117.51 119.82 1uqv h ILE 94 Ca 0.48 0.00 0.33 0.00 1.00 0.00 0.00 64.86 66.66 1uqv h ILE 94 Cb 0.40 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.42 1uqv h ILE 94 CO -0.23 0.00 0.80 -0.07 0.00 0.00 0.00 178.15 178.65 1uqv h LEU 95 N -0.92 0.12 -0.27 1.44 3.38 -0.90 0.55 115.31 118.71 1uqv h LEU 95 Ca -0.07 0.03 -0.21 0.00 0.09 0.00 0.00 57.88 57.72 1uqv h LEU 95 Cb 0.77 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1uqv h LEU 95 CO 0.01 0.02 -0.80 0.40 0.09 0.00 0.00 178.44 178.16 1uqv h ILE 96 N 0.10 1.35 -0.33 1.22 2.04 -1.00 -1.57 117.51 119.31 1uqv h ILE 96 Ca 0.58 -2.15 -0.08 0.00 1.00 0.00 0.00 64.86 64.21 1uqv h ILE 96 Cb 2.08 2.15 -0.01 0.00 -0.74 0.00 0.00 36.82 40.29 1uqv h ILE 96 CO -0.09 0.66 -0.10 -1.13 0.00 0.00 0.00 178.15 177.49 1uqv h ASN 97 N 0.35 0.66 0.17 1.72 -1.24 0.16 -1.24 115.58 116.17 1uqv h ASN 97 Ca -0.05 -0.37 -0.15 0.00 0.71 0.00 0.00 56.30 56.43 1uqv h ASN 97 Cb 1.41 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 40.27 1uqv h ASN 97 CO 0.15 0.88 -0.58 0.11 -1.29 0.00 0.00 177.43 176.70 1uqv h LYS 98 N 0.43 0.41 -0.17 6.67 6.56 -1.29 -2.69 116.57 126.50 1uqv h LYS 98 Ca 0.08 -0.27 -0.04 0.00 -1.06 0.00 0.00 60.65 59.36 1uqv h LYS 98 Cb 0.60 0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 32.29 1uqv h LYS 98 CO 0.04 0.88 -0.05 1.98 -2.06 0.00 0.00 179.45 180.23 1uqv h MET 99 N 0.31 0.34 0.76 3.15 4.05 -1.21 0.23 114.93 122.56 1uqv h MET 99 Ca -0.00 -0.13 -0.04 0.00 -0.28 0.00 0.00 59.70 59.25 1uqv h MET 99 Cb 1.10 -0.02 0.01 0.00 -0.80 0.00 0.00 31.60 31.89 1uqv h MET 99 CO 0.10 0.61 -0.38 -0.09 0.23 0.00 0.00 176.91 177.39 1uqv h ARG 100 N 0.04 -1.00 0.00 0.39 2.43 -1.24 -2.38 114.38 112.61 1uqv h ARG 100 Ca 0.04 0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1uqv h ARG 100 Cb 0.50 0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 1uqv h ARG 100 CO 0.02 -0.67 0.00 -0.25 -1.51 0.00 0.00 179.97 177.56 1uqv n ASP 101 N -5.54 0.13 -0.75 -3.80 9.92 -1.01 -4.99 116.55 110.50 1uqv n ASP 101 Ca -0.14 0.53 0.02 0.00 -0.53 0.00 0.00 54.79 54.66 1uqv n ASP 101 Cb 0.42 -0.55 -0.01 0.00 -0.64 0.00 0.00 41.12 40.34 1uqv n ASP 101 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1uqv n SER 102 N -1.63 -4.49 -4.12 -2.24 3.41 0.79 -4.67 113.62 100.67 1uqv n SER 102 Ca 0.04 0.16 -0.33 0.00 -0.26 0.00 0.00 58.87 58.47 1uqv n SER 102 Cb 0.22 -0.47 -0.15 0.00 -0.26 0.00 0.00 64.21 63.56 1uqv n SER 102 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1uqv s LYS 103 N -0.27 2.42 0.00 4.33 -2.85 -1.26 -4.84 119.74 117.27 1uqv s LYS 103 Ca 0.00 -1.25 0.00 0.00 -1.00 0.00 0.00 55.97 53.72 1uqv s LYS 103 Cb 0.00 -2.98 0.00 0.00 -2.06 0.00 0.00 37.83 32.79 1uqv s LYS 103 CO 0.00 -0.55 0.00 -0.11 0.10 0.00 0.00 175.35 174.79 1uqv n LEU 104 N 4.53 0.00 -3.87 2.77 -0.00 -1.26 -5.08 117.00 114.09 1uqv n LEU 104 Ca -0.14 0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 55.56 1uqv n LEU 104 Cb 0.43 0.10 -0.15 0.00 -0.00 0.00 0.00 43.42 43.81 1uqv n LEU 104 CO 0.24 -0.10 -0.31 -0.70 -0.00 0.00 0.00 177.39 176.51 1uqv s GLU 105 N -0.38 1.18 -0.03 1.96 2.56 -1.26 -4.94 118.70 117.78 1uqv s GLU 105 Ca 0.00 -1.60 0.18 0.00 0.00 0.00 0.00 54.97 53.55 1uqv s GLU 105 Cb 0.00 -2.64 0.56 0.00 2.00 0.00 0.00 34.13 34.05 1uqv s GLU 105 CO 0.00 -0.99 1.47 0.91 -0.56 0.00 0.00 175.26 176.10 1uqv n TRP 106 N 4.37 0.94 -3.72 5.30 8.01 -1.26 -4.77 117.44 126.32 1uqv n TRP 106 Ca 0.02 -0.54 -0.30 0.00 -1.31 0.00 0.00 57.50 55.37 1uqv n TRP 106 Cb 0.41 -0.08 -0.14 0.00 -2.01 0.00 0.00 31.31 29.49 1uqv n TRP 106 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.69 176.83 1uqv s LYS 107 N -1.28 1.05 0.00 -0.99 1.02 -1.26 -5.27 119.74 113.01 1uqv s LYS 107 Ca 0.42 -1.64 0.00 0.00 0.02 0.00 0.00 55.97 54.77 1uqv s LYS 107 Cb 0.24 -2.19 0.00 0.00 -0.52 0.00 0.00 37.83 35.36 1uqv s LYS 107 CO 0.25 -1.10 0.23 -0.40 -0.92 0.00 0.00 175.35 173.42