#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uqv s SER 25 N 0.00 6.64 -0.16 1.61 1.04 -1.26 -4.99 113.70 116.58 1uqv s SER 25 Ca 0.00 2.31 0.00 0.00 0.48 0.00 0.00 55.95 58.74 1uqv s SER 25 Cb 0.00 -2.53 0.02 0.00 0.10 0.00 0.00 66.02 63.61 1uqv s SER 25 CO 0.00 -0.94 -0.15 -2.28 0.98 0.00 0.00 173.24 170.85 1uqv s HIS 26 N 4.01 2.29 0.35 5.02 2.46 -1.26 -5.13 115.29 123.03 1uqv s HIS 26 Ca 0.75 -1.32 0.09 0.00 0.47 0.00 0.00 55.06 55.06 1uqv s HIS 26 Cb -0.35 -1.65 -0.07 0.00 -0.13 0.00 0.00 32.58 30.38 1uqv s HIS 26 CO 0.31 -0.70 -0.08 0.00 -2.47 0.00 0.00 174.74 171.80 1uqv s MET 27 N 1.45 1.83 -0.41 2.88 0.00 -1.26 -5.10 119.30 118.68 1uqv s MET 27 Ca 0.05 -1.95 -0.23 0.00 0.00 0.00 0.00 55.69 53.56 1uqv s MET 27 Cb -0.13 -1.68 0.02 0.00 0.00 0.00 0.00 34.83 33.04 1uqv s MET 27 CO -0.11 0.11 0.75 -0.80 0.00 0.00 0.00 175.02 174.98 1uqv s ASN 28 N -3.62 6.45 -0.62 -1.18 -0.87 -1.26 -5.01 114.94 108.83 1uqv s ASN 28 Ca 0.33 0.04 -0.09 0.00 -1.57 0.00 0.00 52.86 51.57 1uqv s ASN 28 Cb 0.03 -2.38 0.16 0.00 -0.02 0.00 0.00 41.25 39.05 1uqv s ASN 28 CO 0.17 -0.81 0.50 0.20 -2.57 0.00 0.00 177.10 174.59 1uqv s ASN 29 N 1.99 5.88 -0.02 -1.22 0.02 -1.26 -4.80 114.94 115.54 1uqv s ASN 29 Ca 0.29 -2.42 0.05 0.00 -1.02 0.00 0.00 52.86 49.76 1uqv s ASN 29 Cb -0.13 -2.03 -0.08 0.00 0.02 0.00 0.00 41.25 39.03 1uqv s ASN 29 CO 0.20 -0.57 0.09 -0.62 0.02 0.00 0.00 177.10 176.22 1uqv n GLU 30 N 4.22 0.98 -2.96 -0.60 -0.58 -1.26 -4.99 120.64 115.45 1uqv n GLU 30 Ca 0.03 -0.04 -0.41 0.00 -0.42 0.00 0.00 57.16 56.32 1uqv n GLU 30 Cb 0.42 -1.13 -0.04 0.00 -0.57 0.00 0.00 31.44 30.11 1uqv n GLU 30 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 1uqv s ASP 31 N -2.92 6.99 0.00 1.62 -4.77 -1.26 -4.93 116.67 111.41 1uqv s ASP 31 Ca -0.02 1.20 0.27 0.00 -3.30 0.00 0.00 52.55 50.71 1uqv s ASP 31 Cb 0.03 -2.44 0.93 0.00 -1.09 0.00 0.00 42.92 40.35 1uqv s ASP 31 CO 0.23 -0.24 1.68 2.22 0.70 0.00 0.00 175.17 179.75 1uqv n PHE 32 N 4.41 0.00 0.35 2.11 -1.74 -1.26 -3.77 117.46 117.56 1uqv n PHE 32 Ca 0.02 0.00 0.12 0.00 -0.56 0.00 0.00 57.45 57.03 1uqv n PHE 32 Cb 0.50 -0.22 0.52 0.00 1.52 0.00 0.00 39.48 41.80 1uqv n PHE 32 CO 0.00 0.00 0.00 0.43 -0.56 0.00 0.00 176.76 176.63 1uqv n SER 33 N -1.07 0.69 -0.00 5.98 7.64 -1.26 -2.41 113.62 123.19 1uqv n SER 33 Ca 0.11 0.69 0.00 0.00 1.01 0.00 0.00 58.87 60.68 1uqv n SER 33 Cb 0.32 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 1uqv n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1uqv n GLN 34 N -2.29 2.47 -1.93 1.43 6.02 -1.25 -4.75 117.38 117.08 1uqv n GLN 34 Ca 0.01 -1.36 -0.36 0.00 -0.01 0.00 0.00 57.00 55.28 1uqv n GLN 34 Cb 0.20 -0.93 0.04 0.00 1.02 0.00 0.00 30.24 30.57 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 -0.88 2.30 0.53 1.08 0.52 -1.01 -5.04 118.94 116.44 1uqv s TRP 35 Ca 0.01 1.50 0.09 0.00 0.02 0.00 0.00 56.10 57.72 1uqv s TRP 35 Cb 0.01 -3.55 0.06 0.00 -1.15 0.00 0.00 33.47 28.84 1uqv s TRP 35 CO 0.00 -2.43 0.71 0.45 0.02 0.00 0.00 176.95 175.69 1uqv s SER 36 N -1.52 5.22 0.29 2.95 0.15 -1.26 -4.57 113.70 114.96 1uqv s SER 36 Ca 0.79 -0.76 -0.00 0.00 0.70 0.00 0.00 55.95 56.68 1uqv s SER 36 Cb -0.33 0.04 0.48 0.00 -1.71 0.00 0.00 66.02 64.50 1uqv s SER 36 CO 0.35 -1.16 1.90 0.58 1.20 0.00 0.00 173.24 176.11 1uqv h VAL 37 N 0.35 1.08 -0.31 4.45 2.07 -1.96 -1.41 116.25 120.51 1uqv h VAL 37 Ca -0.33 -0.37 -0.05 0.00 0.82 0.00 0.00 66.70 66.77 1uqv h VAL 37 Cb 1.29 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1uqv h VAL 37 CO 0.43 0.20 -0.01 -0.78 0.02 0.00 0.00 177.57 177.43 1uqv h ASP 38 N 1.09 0.54 -0.41 0.57 3.58 -1.97 -1.77 116.42 118.05 1uqv h ASP 38 Ca 0.40 -0.31 -0.02 0.00 0.42 0.00 0.00 57.03 57.52 1uqv h ASP 38 Cb 0.18 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 1uqv h ASP 38 CO -0.15 0.72 0.18 0.44 -2.88 0.00 0.00 179.24 177.55 1uqv h ASP 39 N 0.34 0.56 0.46 2.28 5.19 -1.83 -1.07 116.42 122.35 1uqv h ASP 39 Ca 0.09 -0.15 -0.02 0.00 -0.62 0.00 0.00 57.03 56.32 1uqv h ASP 39 Cb 0.45 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.82 1uqv h ASP 39 CO 0.02 0.55 -0.22 0.58 -3.12 0.00 0.00 179.24 177.04 1uqv h VAL 40 N 0.53 0.52 0.63 -1.35 2.07 -1.25 -2.73 116.25 114.66 1uqv h VAL 40 Ca 0.14 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1uqv h VAL 40 Cb 0.16 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1uqv h VAL 40 CO -0.01 0.04 -0.43 0.40 0.02 0.00 0.00 177.57 177.59 1uqv h ILE 41 N -0.77 0.14 -0.80 4.57 2.04 -1.32 0.34 117.51 121.70 1uqv h ILE 41 Ca -0.06 0.00 0.16 0.00 1.00 0.00 0.00 64.86 65.96 1uqv h ILE 41 Cb 0.55 0.14 -0.15 0.00 -0.74 0.00 0.00 36.82 36.61 1uqv h ILE 41 CO 0.10 0.00 -0.20 0.74 0.00 0.00 0.00 178.15 178.80 1uqv h THR 42 N -1.01 0.20 0.00 -0.27 2.02 -1.27 0.49 112.91 113.07 1uqv h THR 42 Ca -0.08 -0.00 -0.12 0.00 0.77 0.00 0.00 66.41 66.98 1uqv h THR 42 Cb 0.83 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 1uqv h THR 42 CO 0.05 0.00 -0.58 -0.25 0.37 0.00 0.00 175.52 175.11 1uqv h TRP 43 N 0.00 0.00 0.00 3.16 7.01 -1.34 -2.57 115.95 122.22 1uqv h TRP 43 Ca 0.39 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.39 1uqv h TRP 43 Cb 0.59 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.65 1uqv h TRP 43 CO -0.63 0.58 0.00 0.00 -2.79 0.00 0.00 178.44 175.60 1uqv n ILE 45 N -1.84 0.57 -0.00 0.00 5.41 -0.13 -4.35 119.36 119.02 1uqv n ILE 45 Ca 0.03 0.30 -0.01 0.00 1.00 0.00 0.00 62.75 64.07 1uqv n ILE 45 Cb 0.23 -1.65 -0.01 0.00 -0.71 0.00 0.00 39.64 37.50 1uqv n ILE 45 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 1uqv h SER 46 N -0.28 -0.10 0.15 4.38 4.64 -1.50 -1.80 113.55 119.05 1uqv h SER 46 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1uqv h SER 46 Cb 0.28 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1uqv h SER 46 CO 0.00 -0.03 0.00 0.35 -0.87 0.00 0.00 176.83 176.28 1uqv n THR 47 N -2.73 0.20 0.00 2.95 -2.24 -1.22 -4.06 114.28 107.19 1uqv n THR 47 Ca -0.00 0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1uqv n THR 47 Cb 0.02 -0.75 0.00 0.00 -2.10 0.00 0.00 70.33 67.50 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 -1.13 0.00 0.00 3.22 7.94 -0.81 -5.06 117.00 121.17 1uqv n LEU 48 Ca 0.12 0.14 0.00 0.00 -1.11 0.00 0.00 56.01 55.16 1uqv n LEU 48 Cb 0.10 -0.50 0.00 0.00 0.53 0.00 0.00 43.42 43.55 1uqv n LEU 48 CO 0.12 -0.50 0.00 -0.62 -1.11 0.00 0.00 177.39 175.28 1uqv n GLU 49 N -2.36 0.00 -0.79 1.96 -0.58 -0.74 -5.01 120.64 113.12 1uqv n GLU 49 Ca 0.00 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.70 1uqv n GLU 49 Cb 0.00 0.00 0.02 0.00 -0.57 0.00 0.00 31.44 30.89 1uqv n GLU 49 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1uqv n VAL 50 N -0.65 0.00 -3.03 2.62 0.24 -1.24 -4.91 118.33 111.34 1uqv n VAL 50 Ca 0.00 -0.24 -0.10 0.00 -2.04 0.00 0.00 64.34 61.96 1uqv n VAL 50 Cb 0.00 -1.45 0.04 0.00 -1.47 0.00 0.00 33.84 30.95 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 -1.35 0.80 -2.02 7.34 0.28 -1.26 -3.52 120.64 120.90 1uqv n GLU 51 Ca 0.03 -1.65 -0.41 0.00 -0.16 0.00 0.00 57.16 54.96 1uqv n GLU 51 Cb 0.10 -0.12 -0.01 0.00 1.43 0.00 0.00 31.44 32.84 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 -1.66 2.73 0.00 3.44 4.71 -1.26 -3.80 120.64 124.80 1uqv n GLU 52 Ca 0.08 -2.77 0.00 0.00 -0.01 0.00 0.00 57.16 54.47 1uqv n GLU 52 Cb 0.32 -3.37 0.00 0.00 -1.01 0.00 0.00 31.44 27.38 1uqv n GLU 52 CO 0.00 0.00 0.00 -2.37 0.09 0.00 0.00 177.13 174.85 1uqv n THR 53 N 5.93 0.00 -2.30 2.62 5.66 -1.26 -5.10 114.28 119.83 1uqv n THR 53 Ca 0.50 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 61.12 1uqv n THR 53 Cb 0.43 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.19 1uqv n THR 53 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1uqv s ASP 54 N -2.38 6.42 0.00 1.09 2.15 -1.25 -4.88 116.67 117.82 1uqv s ASP 54 Ca 0.00 2.30 0.00 0.00 0.43 0.00 0.00 52.55 55.28 1uqv s ASP 54 Cb 0.00 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 40.01 1uqv s ASP 54 CO 0.00 -0.75 0.48 -2.65 -0.17 0.00 0.00 175.17 172.09 1uqv n PRO 55 N -0.15 0.00 -0.10 4.34 -0.02 -1.26 -3.06 135.00 134.76 1uqv n PRO 55 Ca 0.05 0.02 0.20 0.00 -2.02 0.00 0.00 63.50 61.75 1uqv n PRO 55 Cb 0.47 -1.50 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 0.15 -0.96 2.45 6.46 -1.90 0.14 115.31 121.66 1uqv h LEU 56 Ca 0.00 0.01 -0.10 0.00 -0.12 0.00 0.00 57.88 57.67 1uqv h LEU 56 Cb 0.00 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 39.90 1uqv h LEU 56 CO 0.00 0.08 -0.38 0.00 -0.62 0.00 0.00 178.44 177.51 1uqv h GLN 58 N 0.23 0.60 0.11 0.00 1.08 -1.01 -2.28 115.11 113.83 1uqv h GLN 58 Ca 0.02 -0.48 -0.00 0.00 -1.45 0.00 0.00 58.65 56.74 1uqv h GLN 58 Cb 0.79 0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 28.31 1uqv h GLN 58 CO 0.06 1.10 -0.06 -0.09 -0.95 0.00 0.00 178.83 178.89 1uqv h ARG 59 N 0.24 -0.16 -0.63 1.46 9.65 -1.34 -1.82 114.38 121.78 1uqv h ARG 59 Ca -0.03 0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.83 1uqv h ARG 59 Cb 1.19 0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 29.78 1uqv h ARG 59 CO 0.12 -0.11 0.31 -0.07 2.80 0.00 0.00 179.97 183.02 1uqv h LEU 60 N -0.17 0.83 -1.06 3.80 3.38 -1.57 -2.62 115.31 117.91 1uqv h LEU 60 Ca -0.01 -0.13 0.10 0.00 0.09 0.00 0.00 57.88 57.93 1uqv h LEU 60 Cb 0.14 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.60 1uqv h LEU 60 CO 0.01 0.73 0.63 -0.09 0.09 0.00 0.00 178.44 179.80 1uqv h ARG 61 N 0.87 1.00 0.87 1.13 2.43 -1.18 -2.86 114.38 116.64 1uqv h ARG 61 Ca 0.22 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.28 1uqv h ARG 61 Cb 0.12 -0.23 0.01 0.00 -0.42 0.00 0.00 29.97 29.45 1uqv h ARG 61 CO -0.03 0.66 -0.42 1.49 -1.51 0.00 0.00 179.97 180.17 1uqv h GLU 62 N 1.03 -1.12 -5.17 0.20 4.81 -0.96 -3.35 114.58 110.03 1uqv h GLU 62 Ca 0.45 0.08 -0.68 0.00 -0.13 0.00 0.00 59.36 59.08 1uqv h GLU 62 Cb 0.36 0.25 -0.17 0.00 0.63 0.00 0.00 28.75 29.82 1uqv h GLU 62 CO -0.21 -0.75 0.88 -0.80 -0.73 0.00 0.00 179.01 177.40 1uqv s ASN 63 N -3.86 6.58 -0.63 1.04 0.01 -1.08 -4.97 114.94 112.03 1uqv s ASN 63 Ca -0.17 -1.90 -0.34 0.00 -0.71 0.00 0.00 52.86 49.74 1uqv s ASN 63 Cb 0.02 -2.42 -0.16 0.00 0.41 0.00 0.00 41.25 39.10 1uqv s ASN 63 CO 0.51 -1.14 2.40 -0.67 -1.51 0.00 0.00 177.10 176.69 1uqv n ASP 64 N 6.88 1.27 -4.53 -1.22 -0.08 -1.24 -4.80 116.55 112.83 1uqv n ASP 64 Ca 0.23 0.21 -0.38 0.00 -1.51 0.00 0.00 54.79 53.34 1uqv n ASP 64 Cb 0.49 -1.14 -0.12 0.00 2.34 0.00 0.00 41.12 42.70 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 8.56 4.90 0.43 5.18 -1.09 -1.26 -5.09 121.20 132.83 1uqv s ILE 65 Ca 1.19 0.00 0.01 0.00 -2.23 0.00 0.00 60.65 59.62 1uqv s ILE 65 Cb -0.99 -3.34 -0.00 0.00 -1.58 0.00 0.00 42.46 36.55 1uqv s ILE 65 CO 0.48 0.27 0.64 0.54 -1.23 0.00 0.00 174.94 175.64 1uqv s VAL 66 N 1.70 3.99 0.34 2.92 0.11 -1.26 -4.72 120.40 123.48 1uqv s VAL 66 Ca 0.07 -0.58 0.02 0.00 -2.93 0.00 0.00 61.98 58.56 1uqv s VAL 66 Cb -0.16 -3.46 0.27 0.00 -1.53 0.00 0.00 36.38 31.50 1uqv s VAL 66 CO 0.08 -0.30 1.99 1.23 -3.33 0.00 0.00 175.10 174.77 1uqv h GLY 67 N 0.47 0.95 1.19 6.54 0.00 -1.80 0.20 103.07 110.62 1uqv h GLY 67 Ca -0.46 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.52 1uqv h GLY 67 CO 0.56 0.32 0.00 1.34 0.00 0.00 0.00 176.54 178.77 1uqv n ASP 68 N -4.44 0.00 -0.48 0.19 2.03 -1.26 -2.46 116.55 110.13 1uqv n ASP 68 Ca 0.08 -0.58 0.07 0.00 0.52 0.00 0.00 54.79 54.87 1uqv n ASP 68 Cb 0.07 -0.09 0.04 0.00 -0.72 0.00 0.00 41.12 40.42 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 -1.09 1.94 -0.02 -2.67 7.94 0.03 -4.44 117.00 118.69 1uqv n LEU 69 Ca 0.17 -0.94 -0.12 0.00 -1.11 0.00 0.00 56.01 54.01 1uqv n LEU 69 Cb 0.13 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 43.98 1uqv n LEU 69 CO 0.16 0.36 0.47 -0.07 -1.11 0.00 0.00 177.39 177.20 1uqv h LEU 70 N 2.34 -0.04 -0.12 -1.96 3.38 -1.20 -3.16 115.31 114.55 1uqv h LEU 70 Ca 0.00 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.35 1uqv h LEU 70 Cb 0.53 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1uqv h LEU 70 CO 0.00 0.64 -0.04 -0.81 0.09 0.00 0.00 178.44 178.32 1uqv n PRO 71 N -4.78 0.66 0.03 1.13 -0.04 -1.26 -3.45 135.00 127.29 1uqv n PRO 71 Ca -0.09 -0.12 -0.00 0.00 -0.04 0.00 0.00 63.50 63.25 1uqv n PRO 71 Cb 0.33 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.21 1uqv n PRO 71 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1uqv h GLU 72 N 0.28 0.00 -6.92 0.54 4.39 -1.78 -3.47 114.58 107.63 1uqv h GLU 72 Ca 0.00 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 59.22 1uqv h GLU 72 Cb 0.27 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 1uqv h GLU 72 CO 0.00 0.30 0.21 -0.51 -1.16 0.00 0.00 179.01 177.85 1uqv s LEU 73 N -5.81 3.89 0.61 1.33 1.43 -1.19 -5.09 118.68 113.85 1uqv s LEU 73 Ca -0.03 1.39 0.09 0.00 -1.03 0.00 0.00 54.13 54.55 1uqv s LEU 73 Cb 0.09 -4.25 0.10 0.00 0.03 0.00 0.00 46.19 42.16 1uqv s LEU 73 CO 0.81 -0.36 0.85 0.00 0.23 0.00 0.00 176.35 177.87 1uqv h LEU 75 N 0.04 0.00 0.54 0.00 -0.00 -1.98 -2.62 115.31 111.29 1uqv h LEU 75 Ca -0.29 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.57 1uqv h LEU 75 Cb 1.29 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.95 1uqv h LEU 75 CO 0.40 0.02 -0.26 -0.61 -0.00 0.00 0.00 178.44 177.99 1uqv h GLN 76 N 0.00 -0.70 -0.44 1.13 5.75 -1.99 -0.71 115.11 118.15 1uqv h GLN 76 Ca -0.00 0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.53 1uqv h GLN 76 Cb 0.12 0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.81 1uqv h GLN 76 CO 0.00 -0.39 0.21 -0.44 -2.65 0.00 0.00 178.83 175.56 1uqv h ASP 77 N -0.96 0.57 -0.64 -0.69 3.32 -1.90 -2.38 116.42 113.73 1uqv h ASP 77 Ca -0.07 -0.13 0.05 0.00 0.02 0.00 0.00 57.03 56.90 1uqv h ASP 77 Cb 0.63 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.99 1uqv h ASP 77 CO 0.12 0.53 0.43 0.00 -1.72 0.00 0.00 179.24 178.60 1uqv h GLN 79 N 0.69 0.94 -0.05 0.00 4.15 -0.64 -2.39 115.11 117.81 1uqv h GLN 79 Ca 0.27 -0.28 -0.04 0.00 0.77 0.00 0.00 58.65 59.37 1uqv h GLN 79 Cb 0.19 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 1uqv h GLN 79 CO -0.08 0.93 -0.15 0.22 -1.93 0.00 0.00 178.83 177.82 1uqv h ASP 80 N 0.82 0.07 0.66 -0.69 1.82 -0.81 -0.78 116.42 117.51 1uqv h ASP 80 Ca 0.16 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.79 1uqv h ASP 80 Cb 0.48 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.47 1uqv h ASP 80 CO 0.02 0.23 0.00 -0.07 -1.61 0.00 0.00 179.24 177.81 1uqv h LEU 81 N 0.07 0.00-10.02 2.28 4.07 -0.79 -3.43 115.31 107.48 1uqv h LEU 81 Ca 0.01 0.00 -0.49 0.00 0.08 0.00 0.00 57.88 57.48 1uqv h LEU 81 Cb 0.32 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.02 1uqv h LEU 81 CO 0.02 0.00 -0.46 0.00 -1.08 0.00 0.00 178.44 176.92 1uqv h ASP 83 N 1.30 0.00 0.00 0.00 3.32 -1.84 -3.43 116.42 115.77 1uqv h ASP 83 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1uqv h ASP 83 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1uqv h ASP 83 CO 0.59 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.72 1uqv n GLY 84 N -1.51 0.00 3.23 2.75 0.00 -1.26 -5.09 105.19 103.30 1uqv n GLY 84 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 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 3.69 0.07 1.61 2.15 -1.26 -5.01 116.67 117.91 1uqv s ASP 85 Ca 0.00 -0.51 -0.21 0.00 0.43 0.00 0.00 52.55 52.26 1uqv s ASP 85 Cb 0.00 -1.60 -0.11 0.00 -0.30 0.00 0.00 42.92 40.91 1uqv s ASP 85 CO 0.00 0.01 1.52 0.25 -0.17 0.00 0.00 175.17 176.78 1uqv h LEU 86 N 7.85 0.28 -2.02 -1.34 5.85 -2.00 -2.70 115.31 121.23 1uqv h LEU 86 Ca -0.41 -0.29 0.12 0.00 0.84 0.00 0.00 57.88 58.14 1uqv h LEU 86 Cb 1.16 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 1uqv h LEU 86 CO 0.61 0.49 0.40 -1.13 -0.34 0.00 0.00 178.44 178.48 1uqv h ASN 87 N 0.05 0.00 0.27 1.25 -0.73 -2.00 -1.29 115.58 113.14 1uqv h ASN 87 Ca 0.05 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.21 1uqv h ASN 87 Cb 0.34 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.94 1uqv h ASN 87 CO 0.01 0.00 -0.13 0.50 -0.37 0.00 0.00 177.43 177.44 1uqv h LYS 88 N 0.00 -0.35 -0.16 6.67 3.11 -1.91 -2.42 116.57 121.50 1uqv h LYS 88 Ca 0.19 0.02 0.05 0.00 -2.81 0.00 0.00 60.65 58.11 1uqv h LYS 88 Cb 1.00 0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 32.30 1uqv h LYS 88 CO -0.00 -0.00 0.15 0.00 -2.81 0.00 0.00 179.45 176.79 1uqv h ALA 89 N -0.30 1.88 0.21 5.00 0.00 -1.20 -1.69 119.26 123.16 1uqv h ALA 89 Ca -0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1uqv h ALA 89 Cb 0.51 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1uqv h ALA 89 CO 0.06 -0.24 -0.10 0.82 0.00 0.00 0.00 179.25 179.79 1uqv h ILE 90 N 0.00 0.72 0.00 0.00 2.04 -1.30 -2.59 117.51 116.38 1uqv h ILE 90 Ca 0.08 -0.99 0.00 0.00 1.00 0.00 0.00 64.86 64.94 1uqv h ILE 90 Cb 0.39 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1uqv h ILE 90 CO -0.00 0.18 0.02 0.11 0.00 0.00 0.00 178.15 178.46 1uqv h LYS 91 N -0.88 0.00 0.13 2.37 1.79 -1.01 -1.01 116.57 117.96 1uqv h LYS 91 Ca -0.03 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.43 1uqv h LYS 91 Cb 0.51 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.16 1uqv h LYS 91 CO 0.05 0.00 -0.06 0.35 -1.08 0.00 0.00 179.45 178.70 1uqv h PHE 92 N 0.00 -0.17 -0.26 -1.35 3.57 -1.23 -2.65 116.94 114.85 1uqv h PHE 92 Ca 0.00 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.56 1uqv h PHE 92 Cb 0.05 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 1uqv h PHE 92 CO 0.00 -0.10 0.18 -0.22 -2.23 0.00 0.00 178.31 175.94 1uqv h LYS 93 N -0.43 0.06 0.29 1.11 3.64 -1.26 -2.52 116.57 117.46 1uqv h LYS 93 Ca -0.02 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1uqv h LYS 93 Cb 0.14 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1uqv h LYS 93 CO 0.03 0.04 -0.14 0.82 -2.27 0.00 0.00 179.45 177.93 1uqv h ILE 94 N 0.06 0.00 -0.59 2.00 2.04 -1.28 -1.64 117.51 118.10 1uqv h ILE 94 Ca 0.12 -0.11 0.17 0.00 1.00 0.00 0.00 64.86 66.04 1uqv h ILE 94 Cb 0.39 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 1uqv h ILE 94 CO -0.01 0.00 0.59 -0.07 0.00 0.00 0.00 178.15 178.66 1uqv h LEU 95 N -0.50 0.00 -0.11 1.44 3.38 -1.37 0.44 115.31 118.58 1uqv h LEU 95 Ca -0.04 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.69 1uqv h LEU 95 Cb 0.30 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.06 1uqv h LEU 95 CO 0.07 0.00 -0.93 0.40 0.09 0.00 0.00 178.44 178.07 1uqv h ILE 96 N 0.00 1.31 -0.33 1.22 2.04 -1.37 -2.74 117.51 117.64 1uqv h ILE 96 Ca 0.28 -2.21 -0.04 0.00 1.00 0.00 0.00 64.86 63.89 1uqv h ILE 96 Cb 1.45 2.26 -0.01 0.00 -0.74 0.00 0.00 36.82 39.78 1uqv h ILE 96 CO -0.00 0.68 0.04 -1.13 0.00 0.00 0.00 178.15 177.74 1uqv h ASN 97 N 0.39 0.54 -0.16 1.72 -1.24 0.84 -0.17 115.58 117.49 1uqv h ASN 97 Ca -0.09 -0.27 0.01 0.00 0.71 0.00 0.00 56.30 56.66 1uqv h ASN 97 Cb 1.57 -0.14 -0.02 0.00 0.73 0.00 0.00 38.32 40.46 1uqv h ASN 97 CO 0.18 0.68 0.06 0.11 -1.29 0.00 0.00 177.43 177.16 1uqv h LYS 98 N 0.39 0.13 0.00 6.67 1.79 -1.39 -1.55 116.57 122.60 1uqv h LYS 98 Ca 0.10 -0.01 -0.05 0.00 -2.18 0.00 0.00 60.65 58.52 1uqv h LYS 98 Cb 0.37 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.99 1uqv h LYS 98 CO 0.01 0.09 -0.21 1.98 -1.08 0.00 0.00 179.45 180.23 1uqv h MET 99 N 0.14 0.00 -0.24 3.15 4.05 -1.41 -2.06 114.93 118.55 1uqv h MET 99 Ca 0.07 0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.44 1uqv h MET 99 Cb 0.04 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.83 1uqv h MET 99 CO -0.07 0.21 -0.03 -0.09 0.23 0.00 0.00 176.91 177.16 1uqv h ARG 100 N 0.00 0.45 0.00 0.39 2.43 -0.09 -3.37 114.38 114.20 1uqv h ARG 100 Ca -0.00 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 1uqv h ARG 100 Cb 0.47 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1uqv h ARG 100 CO 0.03 0.66 0.00 -0.25 -1.51 0.00 0.00 179.97 178.90 1uqv n ASP 101 N -4.60 0.00 -3.62 -3.80 8.00 -0.72 -5.06 116.55 106.76 1uqv n ASP 101 Ca -0.04 0.58 -0.01 0.00 0.71 0.00 0.00 54.79 56.03 1uqv n ASP 101 Cb 0.27 -0.43 -0.01 0.00 -0.02 0.00 0.00 41.12 40.93 1uqv n ASP 101 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1uqv s SER 102 N -2.51 -0.03 -0.37 -2.24 0.15 -0.80 -5.12 113.70 102.77 1uqv s SER 102 Ca 0.00 -0.01 -0.03 0.00 0.70 0.00 0.00 55.95 56.61 1uqv s SER 102 Cb 0.00 0.05 0.19 0.00 -1.71 0.00 0.00 66.02 64.55 1uqv s SER 102 CO 0.00 -0.08 0.92 -0.75 1.20 0.00 0.00 173.24 174.54 1uqv s LYS 103 N -2.13 0.45 0.02 5.44 2.20 -1.26 -4.62 119.74 119.84 1uqv s LYS 103 Ca 0.12 -0.27 -0.02 0.00 -0.36 0.00 0.00 55.97 55.44 1uqv s LYS 103 Cb 0.01 0.02 -0.01 0.00 -1.51 0.00 0.00 37.83 36.35 1uqv s LYS 103 CO -0.04 -0.61 -0.04 1.28 -0.36 0.00 0.00 175.35 175.58 1uqv n LEU 104 N 3.50 0.71 -1.75 5.43 7.99 -1.26 -4.92 117.00 126.69 1uqv n LEU 104 Ca 0.10 0.10 0.03 0.00 -0.01 0.00 0.00 56.01 56.22 1uqv n LEU 104 Cb 0.61 -0.28 0.04 0.00 -0.11 0.00 0.00 43.42 43.68 1uqv n LEU 104 CO -0.07 -0.59 0.06 1.21 -1.51 0.00 0.00 177.39 176.49 1uqv n GLU 105 N -3.16 0.51 -3.18 3.23 4.07 -1.26 -4.92 120.64 115.93 1uqv n GLU 105 Ca -0.02 -2.43 -0.22 0.00 -0.06 0.00 0.00 57.16 54.43 1uqv n GLU 105 Cb 0.06 -0.47 -0.06 0.00 -0.06 0.00 0.00 31.44 30.91 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 0.16 -0.32 -3.34 4.31 2.14 -1.26 -5.07 117.44 114.07 1uqv n TRP 106 Ca 0.07 -3.58 -0.46 0.00 2.07 0.00 0.00 57.50 55.61 1uqv n TRP 106 Cb 1.05 -0.32 -0.05 0.00 -0.81 0.00 0.00 31.31 31.17 1uqv n TRP 106 CO 0.00 0.00 0.00 0.21 2.07 0.00 0.00 177.69 179.97 1uqv s LYS 107 N -1.39 2.98 0.00 -2.67 2.36 -1.26 -4.91 119.74 114.84 1uqv s LYS 107 Ca 0.36 -1.76 0.04 0.00 -2.55 0.00 0.00 55.97 52.06 1uqv s LYS 107 Cb 0.21 -4.27 0.03 0.00 -1.05 0.00 0.00 37.83 32.75 1uqv s LYS 107 CO -0.11 -1.31 0.63 -3.47 1.55 0.00 0.00 175.35 172.64