#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 -5.61 -4.76 1.61 7.64 -1.26 -4.94 113.62 106.30 1uqv n SER 25 Ca 0.00 0.26 -0.39 0.00 1.01 0.00 0.00 58.87 59.74 1uqv n SER 25 Cb 0.00 -4.03 -0.06 0.00 -1.01 0.00 0.00 64.21 59.11 1uqv n SER 25 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1uqv s HIS 26 N -1.94 3.91 -0.64 1.43 4.02 -1.26 -4.96 115.29 115.85 1uqv s HIS 26 Ca 0.00 1.88 -0.26 0.00 1.02 0.00 0.00 55.06 57.70 1uqv s HIS 26 Cb 0.00 -2.99 -0.02 0.00 -1.02 0.00 0.00 32.58 28.55 1uqv s HIS 26 CO 0.00 0.35 1.88 1.41 1.02 0.00 0.00 174.74 179.40 1uqv s MET 27 N -1.36 2.60 0.21 1.40 -2.45 -1.26 -4.88 119.30 113.56 1uqv s MET 27 Ca 0.43 0.54 -0.23 0.00 -1.25 0.00 0.00 55.69 55.18 1uqv s MET 27 Cb -0.25 -4.46 0.04 0.00 1.25 0.00 0.00 34.83 31.42 1uqv s MET 27 CO 0.31 -2.81 0.77 1.21 1.05 0.00 0.00 175.02 175.54 1uqv s ASN 28 N 8.19 -0.30 -0.22 1.11 3.84 -1.26 -5.11 114.94 121.19 1uqv s ASN 28 Ca 0.68 -0.42 -0.32 0.00 0.21 0.00 0.00 52.86 53.01 1uqv s ASN 28 Cb -0.12 0.63 -0.09 0.00 -0.55 0.00 0.00 41.25 41.12 1uqv s ASN 28 CO 0.19 -1.14 2.14 0.59 -2.79 0.00 0.00 177.10 176.08 1uqv n ASN 29 N -0.44 2.99 -0.04 -4.21 4.13 -1.26 -4.80 115.26 111.63 1uqv n ASN 29 Ca -0.07 0.45 0.01 0.00 1.68 0.00 0.00 54.58 56.66 1uqv n ASN 29 Cb 0.61 -1.43 -0.14 0.00 -1.54 0.00 0.00 39.78 37.28 1uqv n ASN 29 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1uqv n GLU 30 N 8.11 0.86 -1.55 3.52 0.00 -1.26 -4.91 120.64 125.42 1uqv n GLU 30 Ca 0.32 -0.10 -0.38 0.00 0.00 0.00 0.00 57.16 57.00 1uqv n GLU 30 Cb 0.35 -1.44 -0.04 0.00 0.00 0.00 0.00 31.44 30.31 1uqv n GLU 30 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1uqv n ASP 31 N -2.36 2.26 0.00 4.31 9.92 -1.26 -4.77 116.55 124.64 1uqv n ASP 31 Ca -0.14 -0.28 0.09 0.00 -0.53 0.00 0.00 54.79 53.92 1uqv n ASP 31 Cb 0.74 -1.50 0.41 0.00 -0.64 0.00 0.00 41.12 40.13 1uqv n ASP 31 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1uqv n PHE 32 N 14.44 0.00 0.54 1.24 7.35 -1.26 -2.39 117.46 137.37 1uqv n PHE 32 Ca 0.39 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 57.18 1uqv n PHE 32 Cb 0.46 -0.42 -0.14 0.00 0.35 0.00 0.00 39.48 39.74 1uqv n PHE 32 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1uqv n SER 33 N -1.42 0.62 -1.87 -2.13 7.64 -1.26 -4.20 113.62 111.00 1uqv n SER 33 Ca 0.06 -0.55 0.06 0.00 1.01 0.00 0.00 58.87 59.45 1uqv n SER 33 Cb 0.18 1.43 0.39 0.00 -1.01 0.00 0.00 64.21 65.20 1uqv n SER 33 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1uqv n GLN 34 N -1.81 4.73 -2.40 1.43 -0.06 -1.00 -4.91 117.38 113.36 1uqv n GLN 34 Ca 0.00 -3.07 -0.42 0.00 -2.00 0.00 0.00 57.00 51.51 1uqv n GLN 34 Cb 0.42 -2.25 -0.03 0.00 -4.06 0.00 0.00 30.24 24.32 1uqv n GLN 34 CO 0.00 0.00 0.00 -1.58 -0.20 0.00 0.00 177.06 175.28 1uqv s TRP 35 N -2.74 3.09 0.40 3.69 0.52 -1.25 -5.03 118.94 117.63 1uqv s TRP 35 Ca 0.53 1.10 0.08 0.00 0.02 0.00 0.00 56.10 57.83 1uqv s TRP 35 Cb 0.41 -3.49 0.01 0.00 -1.15 0.00 0.00 33.47 29.25 1uqv s TRP 35 CO 0.15 -1.63 0.55 0.45 0.02 0.00 0.00 176.95 176.49 1uqv s SER 36 N 1.60 5.70 0.24 2.95 0.15 -1.26 -3.77 113.70 119.31 1uqv s SER 36 Ca 0.58 -0.39 -0.06 0.00 0.70 0.00 0.00 55.95 56.78 1uqv s SER 36 Cb -0.26 -0.76 0.31 0.00 -1.71 0.00 0.00 66.02 63.59 1uqv s SER 36 CO 0.23 -0.70 1.88 0.58 1.20 0.00 0.00 173.24 176.43 1uqv h VAL 37 N 0.70 1.12 -0.40 4.45 2.07 -1.96 -1.14 116.25 121.08 1uqv h VAL 37 Ca -0.41 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 66.69 1uqv h VAL 37 Cb 1.28 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1uqv h VAL 37 CO 0.47 0.20 0.07 -0.78 0.02 0.00 0.00 177.57 177.55 1uqv h ASP 38 N 1.10 0.56 -0.04 0.57 3.58 -1.97 -1.81 116.42 118.41 1uqv h ASP 38 Ca 0.37 -0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.70 1uqv h ASP 38 Cb 0.06 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 40.96 1uqv h ASP 38 CO -0.14 0.58 -0.07 0.44 -2.88 0.00 0.00 179.24 177.17 1uqv h ASP 39 N 0.59 0.13 -0.82 2.28 5.19 -1.69 -2.36 116.42 119.74 1uqv h ASP 39 Ca 0.13 -0.56 0.02 0.00 -0.62 0.00 0.00 57.03 56.00 1uqv h ASP 39 Cb 0.27 -0.04 -0.05 0.00 0.18 0.00 0.00 39.33 39.69 1uqv h ASP 39 CO 0.00 0.67 0.54 0.58 -3.12 0.00 0.00 179.24 177.90 1uqv h VAL 40 N -0.40 1.17 0.61 -1.35 2.07 -1.13 -2.22 116.25 115.00 1uqv h VAL 40 Ca 0.00 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 1uqv h VAL 40 Cb 0.64 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1uqv h VAL 40 CO 0.02 0.19 -0.29 0.40 0.02 0.00 0.00 177.57 177.91 1uqv h ILE 41 N 1.07 0.24 -0.19 4.57 2.04 -1.37 -0.79 117.51 123.07 1uqv h ILE 41 Ca 0.32 -0.32 0.05 0.00 1.00 0.00 0.00 64.86 65.91 1uqv h ILE 41 Cb -0.05 0.32 -0.07 0.00 -0.74 0.00 0.00 36.82 36.28 1uqv h ILE 41 CO -0.09 0.03 -0.40 0.74 0.00 0.00 0.00 178.15 178.42 1uqv h THR 42 N -1.07 0.16 -0.39 -0.27 2.02 -1.37 -0.30 112.91 111.68 1uqv h THR 42 Ca -0.08 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.10 1uqv h THR 42 Cb 0.68 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 1uqv h THR 42 CO 0.14 0.00 0.25 -0.25 0.37 0.00 0.00 175.52 176.03 1uqv h TRP 43 N -0.44 0.51 0.00 3.16 7.01 -1.48 -1.66 115.95 123.05 1uqv h TRP 43 Ca 0.09 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.10 1uqv h TRP 43 Cb 0.60 -0.17 -0.00 0.00 -2.10 0.00 0.00 29.16 27.50 1uqv h TRP 43 CO -0.50 0.34 -0.01 0.00 -2.79 0.00 0.00 178.44 175.48 1uqv h ILE 45 N -0.01 0.46 -0.20 0.00 2.04 -1.11 1.34 117.51 120.03 1uqv h ILE 45 Ca -0.00 -0.13 0.06 0.00 1.00 0.00 0.00 64.86 65.78 1uqv h ILE 45 Cb 0.01 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.12 1uqv h ILE 45 CO -0.00 0.07 0.16 -1.28 0.00 0.00 0.00 178.15 177.10 1uqv h SER 46 N 0.39 0.00 0.00 1.72 0.87 -0.99 -2.87 113.55 112.67 1uqv h SER 46 Ca 0.56 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.12 1uqv h SER 46 Cb 1.08 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 1uqv h SER 46 CO -0.54 0.00 -0.16 0.35 -0.53 0.00 0.00 176.83 175.96 1uqv n THR 47 N -4.25 0.80 0.00 2.23 -2.24 0.95 -4.90 114.28 106.87 1uqv n THR 47 Ca 0.02 -0.92 0.00 0.00 -2.27 0.00 0.00 64.05 60.87 1uqv n THR 47 Cb 0.29 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 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 -0.56 0.09 0.06 3.22 -0.00 0.42 -5.02 117.00 115.20 1uqv n LEU 48 Ca 0.05 0.13 0.00 0.00 -0.00 0.00 0.00 56.01 56.19 1uqv n LEU 48 Cb 0.56 -0.45 0.00 0.00 -0.00 0.00 0.00 43.42 43.53 1uqv n LEU 48 CO 0.00 -0.45 0.00 1.21 -0.00 0.00 0.00 177.39 178.15 1uqv n GLU 49 N -2.24 0.00 -0.63 1.96 4.07 -1.25 -4.99 120.64 117.55 1uqv n GLU 49 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1uqv n GLU 49 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1uqv n GLU 49 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 1uqv n VAL 50 N -2.84 0.00 -2.97 6.31 0.24 -1.26 -5.07 118.33 112.73 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 -0.67 0.03 0.00 -1.47 0.00 0.00 33.84 31.73 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 -0.32 0.81 -1.75 7.34 0.28 -1.26 -4.34 120.64 121.39 1uqv n GLU 51 Ca 0.00 -1.23 -0.40 0.00 -0.16 0.00 0.00 57.16 55.37 1uqv n GLU 51 Cb 0.00 -0.11 -0.03 0.00 1.43 0.00 0.00 31.44 32.73 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 2.18 0.00 3.44 1.02 -1.26 -3.71 120.64 120.80 1uqv n GLU 52 Ca 0.07 -2.43 0.00 0.00 -0.02 0.00 0.00 57.16 54.77 1uqv n GLU 52 Cb 0.24 -3.29 0.00 0.00 -0.02 0.00 0.00 31.44 28.37 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 6.22 0.00 -1.72 2.62 -2.24 -1.26 -5.11 114.28 112.79 1uqv n THR 53 Ca 0.49 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.89 1uqv n THR 53 Cb 0.42 -0.40 0.04 0.00 -2.10 0.00 0.00 70.33 68.30 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 -2.43 2.35 0.00 3.42 2.03 -1.24 -4.83 116.55 115.85 1uqv n ASP 54 Ca 0.00 0.95 0.00 0.00 0.52 0.00 0.00 54.79 56.26 1uqv n ASP 54 Cb 0.00 -1.54 0.00 0.00 -0.72 0.00 0.00 41.12 38.86 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 -1.01 0.00 -0.30 -0.67 -0.02 -1.26 -3.54 135.00 128.19 1uqv n PRO 55 Ca 0.11 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.70 1uqv n PRO 55 Cb 0.45 -1.49 0.24 0.00 -0.02 0.00 0.00 33.50 32.68 1uqv n PRO 55 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1uqv h LEU 56 N 0.00 -0.33 -0.98 2.45 3.38 -1.89 0.43 115.31 118.37 1uqv h LEU 56 Ca 0.00 0.23 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 1uqv h LEU 56 Cb 0.00 0.39 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 1uqv h LEU 56 CO 0.00 -0.25 0.48 0.00 0.09 0.00 0.00 178.44 178.76 1uqv h GLN 58 N 1.20 0.53 0.40 0.00 4.20 -0.45 -0.73 115.11 120.25 1uqv h GLN 58 Ca 0.30 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.93 1uqv h GLN 58 Cb 0.02 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.70 1uqv h GLN 58 CO -0.05 0.44 -0.19 0.00 -0.67 0.00 0.00 178.83 178.35 1uqv h ARG 59 N 0.49 -0.52 -0.59 1.46 2.47 -1.06 -2.02 114.38 114.61 1uqv h ARG 59 Ca 0.13 0.04 0.14 0.00 -1.26 0.00 0.00 59.98 59.03 1uqv h ARG 59 Cb 0.06 0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 28.47 1uqv h ARG 59 CO -0.02 -0.22 0.41 -0.07 0.56 0.00 0.00 179.97 180.63 1uqv h LEU 60 N -0.83 0.15 -0.15 3.04 3.38 -1.23 -1.39 115.31 118.28 1uqv h LEU 60 Ca -0.06 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.76 1uqv h LEU 60 Cb 0.54 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.27 1uqv h LEU 60 CO 0.09 0.08 -0.55 -0.09 0.09 0.00 0.00 178.44 178.07 1uqv h ARG 61 N 0.17 0.63 -0.28 1.13 2.43 -1.00 -3.28 114.38 114.18 1uqv h ARG 61 Ca 0.28 -0.48 0.05 0.00 -0.81 0.00 0.00 59.98 59.03 1uqv h ARG 61 Cb 0.90 0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.49 1uqv h ARG 61 CO -0.04 1.10 -0.05 0.93 -1.51 0.00 0.00 179.97 180.40 1uqv h GLU 62 N 0.29 0.02 -4.97 0.20 5.08 -0.49 -3.29 114.58 111.41 1uqv h GLU 62 Ca -0.03 -0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.64 1uqv h GLU 62 Cb 1.18 -0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.24 1uqv h GLU 62 CO 0.12 0.01 0.80 -0.80 -1.00 0.00 0.00 179.01 178.13 1uqv s ASN 63 N -5.22 6.63 -0.54 1.42 0.01 -1.06 -4.97 114.94 111.21 1uqv s ASN 63 Ca -0.13 -2.06 -0.29 0.00 -0.71 0.00 0.00 52.86 49.67 1uqv s ASN 63 Cb 0.12 -2.39 -0.10 0.00 0.41 0.00 0.00 41.25 39.29 1uqv s ASN 63 CO 0.69 -1.04 2.42 0.47 -1.51 0.00 0.00 177.10 178.13 1uqv n ASP 64 N 6.44 2.01 -3.93 -1.22 9.92 -1.24 -4.87 116.55 123.65 1uqv n ASP 64 Ca 0.23 -0.17 -0.30 0.00 -0.53 0.00 0.00 54.79 54.02 1uqv n ASP 64 Cb 0.49 -1.41 -0.16 0.00 -0.64 0.00 0.00 41.12 39.40 1uqv n ASP 64 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1uqv s ILE 65 N 10.51 1.41 0.86 0.53 -1.09 -1.26 -5.13 121.20 127.03 1uqv s ILE 65 Ca 1.07 -0.98 -0.11 0.00 -2.23 0.00 0.00 60.65 58.40 1uqv s ILE 65 Cb -0.50 -1.61 0.11 0.00 -1.58 0.00 0.00 42.46 38.88 1uqv s ILE 65 CO 0.35 0.03 1.09 0.54 -1.23 0.00 0.00 174.94 175.72 1uqv s VAL 66 N 1.48 2.82 0.55 2.92 0.11 -1.26 -4.70 120.40 122.32 1uqv s VAL 66 Ca -0.03 0.27 0.22 0.00 -2.93 0.00 0.00 61.98 59.51 1uqv s VAL 66 Cb -0.17 -2.79 0.32 0.00 -1.53 0.00 0.00 36.38 32.20 1uqv s VAL 66 CO -0.07 -0.35 2.15 1.23 -3.33 0.00 0.00 175.10 174.73 1uqv h GLY 67 N -1.41 0.00 2.00 6.54 0.00 -1.83 -0.03 103.07 108.34 1uqv h GLY 67 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1uqv h GLY 67 CO 0.55 0.00 0.00 1.34 0.00 0.00 0.00 176.54 178.43 1uqv n ASP 68 N -4.27 0.69 -0.85 0.19 2.03 -1.26 -3.00 116.55 110.08 1uqv n ASP 68 Ca -0.01 0.59 0.08 0.00 0.52 0.00 0.00 54.79 55.97 1uqv n ASP 68 Cb 0.18 -0.76 0.18 0.00 -0.72 0.00 0.00 41.12 40.00 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 -2.17 3.07 0.01 -2.67 4.32 -0.05 -4.57 117.00 114.94 1uqv n LEU 69 Ca 0.05 -1.73 -0.13 0.00 -0.02 0.00 0.00 56.01 54.18 1uqv n LEU 69 Cb 0.37 -0.24 -0.09 0.00 -1.62 0.00 0.00 43.42 41.83 1uqv n LEU 69 CO 0.27 0.72 0.68 -0.07 -1.22 0.00 0.00 177.39 177.78 1uqv h LEU 70 N 3.00 -0.03 -0.08 2.23 3.38 -1.40 -3.04 115.31 119.38 1uqv h LEU 70 Ca 0.00 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1uqv h LEU 70 Cb 0.79 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1uqv h LEU 70 CO 0.00 0.34 -0.02 -0.81 0.09 0.00 0.00 178.44 178.04 1uqv n PRO 71 N -4.93 0.77 0.04 1.13 -0.04 -1.26 -3.39 135.00 127.32 1uqv n PRO 71 Ca -0.08 -0.08 -0.08 0.00 -0.04 0.00 0.00 63.50 63.21 1uqv n PRO 71 Cb 0.20 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.03 1uqv n PRO 71 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1uqv h GLU 72 N 0.20 0.02 -7.22 0.54 4.57 -1.78 -3.46 114.58 107.45 1uqv h GLU 72 Ca 0.00 -0.04 -0.39 0.00 -1.18 0.00 0.00 59.36 57.75 1uqv h GLU 72 Cb 0.18 0.01 0.21 0.00 -0.16 0.00 0.00 28.75 28.99 1uqv h GLU 72 CO 0.00 0.89 0.00 -0.51 -1.18 0.00 0.00 179.01 178.21 1uqv s LEU 73 N -6.58 -0.33 0.33 1.64 1.43 -1.18 -5.08 118.68 108.90 1uqv s LEU 73 Ca -0.01 0.65 0.05 0.00 -1.03 0.00 0.00 54.13 53.79 1uqv s LEU 73 Cb 0.09 -2.17 -0.06 0.00 0.03 0.00 0.00 46.19 44.08 1uqv s LEU 73 CO 0.83 -4.87 0.02 0.00 0.23 0.00 0.00 176.35 172.55 1uqv h LEU 75 N 2.10 0.00 -0.01 0.00 -0.00 -1.98 -1.54 115.31 113.88 1uqv h LEU 75 Ca -0.41 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 57.36 1uqv h LEU 75 Cb 1.24 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.91 1uqv h LEU 75 CO 0.71 0.00 -0.43 1.56 -0.00 0.00 0.00 178.44 180.28 1uqv h GLN 76 N 0.00 0.31 0.00 1.13 1.08 -1.99 -0.86 115.11 114.79 1uqv h GLN 76 Ca 0.03 -0.32 -0.04 0.00 -1.45 0.00 0.00 58.65 56.87 1uqv h GLN 76 Cb 0.24 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 1uqv h GLN 76 CO -0.00 1.01 -0.19 -0.44 -0.95 0.00 0.00 178.83 178.26 1uqv h ASP 77 N -0.26 0.00 0.51 1.46 3.32 -1.71 -2.36 116.42 117.38 1uqv h ASP 77 Ca -0.05 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.70 1uqv h ASP 77 Cb 1.15 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 1uqv h ASP 77 CO 0.09 0.19 -1.45 0.00 -1.72 0.00 0.00 179.24 176.34 1uqv h GLN 79 N 0.07 1.16 0.00 0.00 4.15 -0.73 -1.15 115.11 118.61 1uqv h GLN 79 Ca -0.21 -0.15 -0.06 0.00 0.77 0.00 0.00 58.65 59.00 1uqv h GLN 79 Cb 2.00 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 29.46 1uqv h GLN 79 CO 0.17 0.86 -0.27 0.22 -1.93 0.00 0.00 178.83 177.88 1uqv h ASP 80 N 1.16 0.00 1.31 -0.69 3.58 -1.54 -1.75 116.42 118.49 1uqv h ASP 80 Ca 0.29 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.74 1uqv h ASP 80 Cb 0.06 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.11 1uqv h ASP 80 CO -0.04 0.27 -0.05 0.18 -2.88 0.00 0.00 179.24 176.71 1uqv n LEU 81 N -3.94 0.63 0.00 2.28 4.32 -0.51 -4.85 117.00 114.92 1uqv n LEU 81 Ca -0.02 0.52 -0.22 0.00 -0.02 0.00 0.00 56.01 56.27 1uqv n LEU 81 Cb 0.35 -0.35 0.04 0.00 -1.62 0.00 0.00 43.42 41.84 1uqv n LEU 81 CO 0.36 -0.13 0.25 0.00 -1.22 0.00 0.00 177.39 176.65 1uqv n ASP 83 N -2.13 0.32 0.00 0.00 5.75 -1.26 -4.83 116.55 114.41 1uqv n ASP 83 Ca 0.09 0.57 0.00 0.00 -0.01 0.00 0.00 54.79 55.44 1uqv n ASP 83 Cb 0.61 -0.64 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 1uqv n ASP 83 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1uqv n GLY 84 N 0.17 1.53 3.69 6.12 0.00 -1.26 -5.10 105.19 110.35 1uqv n GLY 84 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.44 6.73 0.04 1.61 2.15 -1.26 -4.92 116.67 119.58 1uqv s ASP 85 Ca 0.00 2.29 -0.23 0.00 0.43 0.00 0.00 52.55 55.04 1uqv s ASP 85 Cb 0.00 -2.56 -0.16 0.00 -0.30 0.00 0.00 42.92 39.90 1uqv s ASP 85 CO 0.00 -0.81 1.49 0.25 -0.17 0.00 0.00 175.17 175.93 1uqv h LEU 86 N 8.53 0.10 -1.84 -1.34 5.85 -1.99 -2.81 115.31 121.82 1uqv h LEU 86 Ca -0.40 -0.28 0.22 0.00 0.84 0.00 0.00 57.88 58.26 1uqv h LEU 86 Cb 1.19 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.15 1uqv h LEU 86 CO 0.92 0.35 0.57 0.78 -0.34 0.00 0.00 178.44 180.72 1uqv h ASN 87 N -0.16 0.13 -0.08 1.25 2.35 -2.00 -0.19 115.58 116.89 1uqv h ASN 87 Ca 0.02 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 1uqv h ASN 87 Cb 0.30 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 1uqv h ASN 87 CO 0.00 0.05 0.02 0.50 -1.65 0.00 0.00 177.43 176.35 1uqv h LYS 88 N 0.13 0.13 -0.13 0.81 1.63 -1.90 -2.48 116.57 114.76 1uqv h LYS 88 Ca 0.40 -0.03 -0.06 0.00 -0.85 0.00 0.00 60.65 60.11 1uqv h LYS 88 Cb 1.38 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.98 1uqv h LYS 88 CO -0.06 0.32 -0.17 0.00 -3.45 0.00 0.00 179.45 176.09 1uqv h ALA 89 N 0.80 1.47 0.54 5.00 0.00 -1.01 -2.54 119.26 123.52 1uqv h ALA 89 Ca 0.03 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1uqv h ALA 89 Cb 0.25 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.96 1uqv h ALA 89 CO 0.00 0.38 -0.26 0.82 0.00 0.00 0.00 179.25 180.19 1uqv h ILE 90 N 0.21 0.45 -0.61 0.00 2.04 -1.08 -1.94 117.51 116.58 1uqv h ILE 90 Ca 0.04 -0.16 0.09 0.00 1.00 0.00 0.00 64.86 65.82 1uqv h ILE 90 Cb 0.43 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 1uqv h ILE 90 CO 0.03 0.03 0.41 0.11 0.00 0.00 0.00 178.15 178.72 1uqv h LYS 91 N -0.82 0.48 0.94 2.37 1.79 -1.36 -0.78 116.57 119.18 1uqv h LYS 91 Ca -0.07 -0.03 -0.05 0.00 -2.18 0.00 0.00 60.65 58.32 1uqv h LYS 91 Cb 0.59 -0.11 0.01 0.00 -1.58 0.00 0.00 32.23 31.14 1uqv h LYS 91 CO 0.12 0.32 -0.45 0.35 -1.08 0.00 0.00 179.45 178.71 1uqv h PHE 92 N 0.49 -1.16 0.00 -1.35 3.57 -1.16 -1.29 116.94 116.03 1uqv h PHE 92 Ca 0.28 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.75 1uqv h PHE 92 Cb 0.44 0.39 -0.00 0.00 2.79 0.00 0.00 35.95 39.57 1uqv h PHE 92 CO -0.00 -0.72 -0.01 -0.22 -2.23 0.00 0.00 178.31 175.13 1uqv h LYS 93 N -1.30 0.00 0.30 1.11 1.63 -1.05 -2.72 116.57 114.55 1uqv h LYS 93 Ca -0.13 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.66 1uqv h LYS 93 Cb 0.96 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.60 1uqv h LYS 93 CO 0.21 0.01 -0.15 0.82 -3.45 0.00 0.00 179.45 176.89 1uqv h ILE 94 N 0.00 0.00 -1.19 2.00 2.04 -0.88 0.15 117.51 119.63 1uqv h ILE 94 Ca -0.00 -0.17 0.35 0.00 1.00 0.00 0.00 64.86 66.04 1uqv h ILE 94 Cb 0.01 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.00 1uqv h ILE 94 CO 0.00 0.00 0.79 -0.07 0.00 0.00 0.00 178.15 178.87 1uqv h LEU 95 N -0.57 0.29 -0.09 1.44 3.38 -1.15 0.55 115.31 119.16 1uqv h LEU 95 Ca -0.04 0.08 -0.24 0.00 0.09 0.00 0.00 57.88 57.77 1uqv h LEU 95 Cb 0.31 0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.12 1uqv h LEU 95 CO 0.07 -0.02 -0.91 0.40 0.09 0.00 0.00 178.44 178.06 1uqv h ILE 96 N 0.21 1.28 0.23 1.22 2.04 -1.46 -2.27 117.51 118.76 1uqv h ILE 96 Ca 0.68 -2.13 -0.01 0.00 1.00 0.00 0.00 64.86 64.40 1uqv h ILE 96 Cb 2.06 2.19 0.00 0.00 -0.74 0.00 0.00 36.82 40.34 1uqv h ILE 96 CO -0.28 0.66 -0.11 -1.13 0.00 0.00 0.00 178.15 177.30 1uqv h ASN 97 N 0.45 -0.26 -0.12 1.72 -0.73 0.22 -1.81 115.58 115.05 1uqv h ASN 97 Ca -0.09 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.05 1uqv h ASN 97 Cb 1.55 0.07 -0.01 0.00 0.27 0.00 0.00 38.32 40.20 1uqv h ASN 97 CO 0.18 -0.18 -0.02 0.11 -0.37 0.00 0.00 177.43 177.16 1uqv h LYS 98 N -0.31 0.35 -0.66 6.67 1.79 -1.27 -0.82 116.57 122.33 1uqv h LYS 98 Ca -0.03 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.36 1uqv h LYS 98 Cb 0.24 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 30.80 1uqv h LYS 98 CO 0.05 0.39 0.34 1.98 -1.08 0.00 0.00 179.45 181.14 1uqv h MET 99 N 0.34 0.93 -0.06 3.15 4.05 -0.96 0.14 114.93 122.52 1uqv h MET 99 Ca 0.08 -0.12 -0.19 0.00 -0.28 0.00 0.00 59.70 59.19 1uqv h MET 99 Cb 0.26 -0.18 0.01 0.00 -0.80 0.00 0.00 31.60 30.90 1uqv h MET 99 CO 0.01 0.72 -0.71 -0.09 0.23 0.00 0.00 176.91 177.07 1uqv h ARG 100 N 0.90 0.58 0.00 0.39 2.43 -0.92 -3.09 114.38 114.68 1uqv h ARG 100 Ca 0.23 -0.55 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 1uqv h ARG 100 Cb 0.07 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1uqv h ARG 100 CO -0.03 1.17 0.00 -0.25 -1.51 0.00 0.00 179.97 179.35 1uqv n ASP 101 N -4.09 0.02 -4.42 -3.80 9.92 -0.35 -4.79 116.55 109.04 1uqv n ASP 101 Ca -0.09 0.50 -0.49 0.00 -0.53 0.00 0.00 54.79 54.18 1uqv n ASP 101 Cb 0.71 -0.51 -0.09 0.00 -0.64 0.00 0.00 41.12 40.59 1uqv n ASP 101 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1uqv n SER 102 N -1.52 1.44 -4.71 -2.24 2.88 0.48 -4.83 113.62 105.13 1uqv n SER 102 Ca 0.04 0.31 -0.42 0.00 -1.33 0.00 0.00 58.87 57.47 1uqv n SER 102 Cb 0.20 -1.14 -0.03 0.00 -0.75 0.00 0.00 64.21 62.48 1uqv n SER 102 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1uqv n LYS 103 N 8.20 2.74 0.00 -1.46 5.02 -1.26 -4.88 118.16 126.52 1uqv n LYS 103 Ca 0.49 0.99 0.00 0.00 -2.02 0.00 0.00 58.31 57.77 1uqv n LYS 103 Cb 0.16 -2.84 0.00 0.00 -0.02 0.00 0.00 35.03 32.33 1uqv n LYS 103 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1uqv n LEU 104 N 4.10 0.00 -2.72 -0.35 4.77 -1.26 -5.07 117.00 116.47 1uqv n LEU 104 Ca 0.16 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 56.09 1uqv n LEU 104 Cb 0.35 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.47 1uqv n LEU 104 CO 0.64 -0.43 0.29 1.21 -1.33 0.00 0.00 177.39 177.77 1uqv n GLU 105 N -2.29 0.44 -0.09 3.23 2.13 -1.26 -4.98 120.64 117.81 1uqv n GLU 105 Ca 0.00 -1.49 0.01 0.00 0.66 0.00 0.00 57.16 56.33 1uqv n GLU 105 Cb 0.00 -0.92 0.01 0.00 0.27 0.00 0.00 31.44 30.79 1uqv n GLU 105 CO 0.00 0.00 0.00 0.91 -0.41 0.00 0.00 177.13 177.63 1uqv n TRP 106 N 2.37 0.00 -3.95 4.31 8.01 -1.26 -5.02 117.44 121.90 1uqv n TRP 106 Ca 0.12 -0.17 -0.30 0.00 -1.31 0.00 0.00 57.50 55.84 1uqv n TRP 106 Cb 0.62 -0.03 -0.16 0.00 -2.01 0.00 0.00 31.31 29.73 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 -0.40 1.72 0.00 -0.99 1.02 -1.26 -5.27 119.74 114.56 1uqv s LYS 107 Ca 0.02 -0.81 0.21 0.00 0.02 0.00 0.00 55.97 55.41 1uqv s LYS 107 Cb 0.02 -2.37 0.17 0.00 -0.52 0.00 0.00 37.83 35.12 1uqv s LYS 107 CO 0.00 -0.49 1.17 -0.25 -0.92 0.00 0.00 175.35 174.86