#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nef n HIS 4 N 0.00 -2.91 -2.72 4.41 -0.00 -1.26 -5.04 115.22 107.71 3nef n HIS 4 Ca 0.00 -1.31 -0.43 0.00 -0.00 0.00 0.00 57.72 55.98 3nef n HIS 4 Cb 0.00 -0.48 -0.03 0.00 -0.00 0.00 0.00 29.99 29.48 3nef n HIS 4 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.34 175.20 3nef s GLN 5 N -4.18 3.50 -0.20 -1.40 2.00 -1.26 -5.01 119.66 113.11 3nef s GLN 5 Ca 0.46 0.12 -0.17 0.00 -2.00 0.00 0.00 55.36 53.77 3nef s GLN 5 Cb -0.03 -3.99 -0.04 0.00 0.80 0.00 0.00 33.01 29.76 3nef s GLN 5 CO 0.30 -1.47 0.44 0.95 -0.50 0.00 0.00 175.29 175.01 3nef s THR 6 N 4.29 5.17 0.39 -0.34 -4.23 -1.26 -5.07 115.64 114.58 3nef s THR 6 Ca 0.39 0.79 -0.23 0.00 -1.18 0.00 0.00 61.69 61.46 3nef s THR 6 Cb -0.09 -3.77 -0.11 0.00 1.34 0.00 0.00 72.50 69.87 3nef s THR 6 CO 0.25 0.22 0.95 -0.04 -0.54 0.00 0.00 174.62 175.46 3nef s MET 7 N 1.44 4.36 0.39 3.99 1.00 -1.26 -4.98 119.30 124.24 3nef s MET 7 Ca 0.21 1.20 0.20 0.00 0.00 0.00 0.00 55.69 57.30 3nef s MET 7 Cb -0.15 -2.41 0.74 0.00 0.00 0.00 0.00 34.83 33.01 3nef s MET 7 CO 0.09 0.08 1.76 -1.35 0.00 0.00 0.00 175.02 175.59 3nef h PRO 8 N 2.38 0.00 0.00 2.03 0.11 -1.99 -2.92 132.00 131.62 3nef h PRO 8 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3nef h PRO 8 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3nef h PRO 8 CO 0.62 0.33 -0.23 0.43 -0.21 0.00 0.00 178.00 178.94 3nef n SER 9 N -3.50 0.77 -4.77 -2.05 7.64 -1.26 -4.83 113.62 105.62 3nef n SER 9 Ca -0.00 0.40 -0.37 0.00 1.01 0.00 0.00 58.87 59.91 3nef n SER 9 Cb 0.48 -0.44 -0.01 0.00 -1.01 0.00 0.00 64.21 63.24 3nef n SER 9 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3nef s ASP 10 N -4.41 6.15 0.42 6.43 1.01 -1.10 -0.60 116.67 124.57 3nef s ASP 10 Ca 0.09 2.37 -0.26 0.00 0.71 0.00 0.00 52.55 55.46 3nef s ASP 10 Cb 0.13 -2.61 -0.10 0.00 1.01 0.00 0.00 42.92 41.35 3nef s ASP 10 CO 0.64 -0.93 1.39 0.18 0.21 0.00 0.00 175.17 176.66 3nef n LEU 11 N -0.41 4.62 -4.83 1.23 7.99 -1.26 -4.80 117.00 119.54 3nef n LEU 11 Ca 0.07 1.14 -0.29 0.00 -0.01 0.00 0.00 56.01 56.92 3nef n LEU 11 Cb 0.47 -1.57 0.09 0.00 -0.11 0.00 0.00 43.42 42.31 3nef n LEU 11 CO 0.49 -0.27 0.73 0.42 -1.51 0.00 0.00 177.39 177.26 3nef s THR 12 N -1.17 2.68 0.12 -5.08 -4.23 -1.26 -4.83 115.64 101.87 3nef s THR 12 Ca 0.59 0.22 -0.21 0.00 -1.18 0.00 0.00 61.69 61.11 3nef s THR 12 Cb -0.48 -3.05 -0.04 0.00 1.34 0.00 0.00 72.50 70.27 3nef s THR 12 CO 0.59 -0.29 1.69 -0.61 -0.54 0.00 0.00 174.62 175.47 3nef h GLN 13 N -1.12 -0.09 -0.91 3.99 4.15 -1.99 0.31 115.11 119.45 3nef h GLN 13 Ca -0.47 0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.02 3nef h GLN 13 Cb 1.29 0.02 -0.06 0.00 0.21 0.00 0.00 27.48 28.94 3nef h GLN 13 CO 0.62 -0.06 0.59 -0.44 -1.93 0.00 0.00 178.83 177.61 3nef h ASP 14 N -0.09 0.91 -0.14 -0.69 3.45 -1.99 0.82 116.42 118.69 3nef h ASP 14 Ca 0.08 0.01 -0.07 0.00 0.43 0.00 0.00 57.03 57.48 3nef h ASP 14 Cb 0.21 -0.19 -0.00 0.00 -0.56 0.00 0.00 39.33 38.80 3nef h ASP 14 CO -0.19 0.58 -0.18 -0.33 -1.57 0.00 0.00 179.24 177.55 3nef h GLU 15 N 1.03 0.36 -0.54 3.56 5.08 -1.82 -2.42 114.58 119.83 3nef h GLU 15 Ca 0.39 -0.21 0.04 0.00 -1.00 0.00 0.00 59.36 58.59 3nef h GLU 15 Cb 0.21 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 3nef h GLU 15 CO -0.15 0.78 0.28 0.35 -1.00 0.00 0.00 179.01 179.27 3nef h PHE 16 N -0.03 0.52 0.00 4.33 3.57 -0.47 0.13 116.94 124.99 3nef h PHE 16 Ca 0.02 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 3nef h PHE 16 Cb 0.73 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 3nef h PHE 16 CO 0.09 0.26 -0.21 0.00 -2.23 0.00 0.00 178.31 176.22 3nef h THR 17 N 0.54 0.86 0.01 4.41 1.03 -0.77 0.18 112.91 119.17 3nef h THR 17 Ca 0.24 -0.81 -0.20 0.00 -0.01 0.00 0.00 66.41 65.62 3nef h THR 17 Cb 0.13 1.48 -0.03 0.00 -1.07 0.00 0.00 68.15 68.66 3nef h THR 17 CO -0.15 0.21 -0.97 1.56 -0.01 0.00 0.00 175.52 176.15 3nef h GLN 18 N 0.00 0.02 -0.05 0.00 4.20 -0.89 -3.39 115.11 115.00 3nef h GLN 18 Ca -0.00 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.68 3nef h GLN 18 Cb 0.46 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.25 3nef h GLN 18 CO 0.03 0.97 0.00 1.28 -0.67 0.00 0.00 178.83 180.44 3nef n LEU 19 N -3.41 1.69 -0.33 1.46 4.77 -0.03 -4.73 117.00 116.42 3nef n LEU 19 Ca -0.01 -1.26 0.12 0.00 -0.03 0.00 0.00 56.01 54.84 3nef n LEU 19 Cb 0.91 -0.03 0.30 0.00 -2.33 0.00 0.00 43.42 42.27 3nef n LEU 19 CO 0.47 0.38 1.15 0.77 -1.33 0.00 0.00 177.39 178.84 3nef h SER 20 N 1.00 0.67 0.15 -1.43 4.64 -0.86 -0.58 113.55 117.14 3nef h SER 20 Ca 0.00 0.11 -0.16 0.00 -0.47 0.00 0.00 61.79 61.27 3nef h SER 20 Cb 0.32 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 3nef h SER 20 CO 0.00 0.22 -0.58 1.56 -0.87 0.00 0.00 176.83 177.15 3nef h GLN 21 N 0.68 0.45 -0.76 4.77 4.20 -1.86 -1.31 115.11 121.28 3nef h GLN 21 Ca 0.56 -0.30 -0.05 0.00 0.06 0.00 0.00 58.65 58.92 3nef h GLN 21 Cb 0.90 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.68 3nef h GLN 21 CO -0.40 0.90 0.27 0.77 -0.67 0.00 0.00 178.83 179.70 3nef h SER 22 N 0.34 1.08 -0.80 1.46 0.02 -1.50 0.21 113.55 114.37 3nef h SER 22 Ca -0.00 -0.19 0.01 0.00 -0.84 0.00 0.00 61.79 60.77 3nef h SER 22 Cb 1.12 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 63.33 3nef h SER 22 CO 0.10 0.98 0.52 0.40 -1.14 0.00 0.00 176.83 177.70 3nef h ILE 23 N 1.12 1.19 -0.45 3.27 2.04 -0.96 0.13 117.51 123.85 3nef h ILE 23 Ca 0.25 -0.36 -0.06 0.00 1.00 0.00 0.00 64.86 65.69 3nef h ILE 23 Cb 0.27 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.36 3nef h ILE 23 CO -0.01 0.19 0.06 0.00 0.00 0.00 0.00 178.15 178.39 3nef h ALA 24 N 1.30 0.60 -0.10 1.87 0.00 -0.70 -1.55 119.26 120.68 3nef h ALA 24 Ca 0.30 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 3nef h ALA 24 Cb -0.10 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.53 3nef h ALA 24 CO -0.07 0.33 -0.55 1.49 0.00 0.00 0.00 179.25 180.45 3nef h GLU 25 N 0.61 0.55 0.00 0.00 4.81 -0.70 -3.41 114.58 116.44 3nef h GLU 25 Ca 0.14 -0.46 -0.13 0.00 -0.13 0.00 0.00 59.36 58.78 3nef h GLU 25 Cb 0.40 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 3nef h GLU 25 CO 0.01 1.08 -1.64 1.19 -0.73 0.00 0.00 179.01 178.92 3nef n PHE 26 N -4.19 0.00 -1.76 0.92 3.72 0.43 -4.77 117.46 111.82 3nef n PHE 26 Ca -0.08 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.30 3nef n PHE 26 Cb 0.63 -0.43 0.15 0.00 -0.94 0.00 0.00 39.48 38.89 3nef n PHE 26 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3nef n HIS 27 N -2.23 0.69 -5.07 1.38 8.25 -0.59 -4.84 115.22 112.82 3nef n HIS 27 Ca -0.12 -1.65 -0.29 0.00 -0.26 0.00 0.00 57.72 55.41 3nef n HIS 27 Cb 0.66 -0.27 -0.16 0.00 1.12 0.00 0.00 29.99 31.35 3nef n HIS 27 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3nef s THR 28 N -3.45 1.75 0.06 1.59 2.01 -1.18 -4.92 115.64 111.50 3nef s THR 28 Ca 0.41 -0.91 0.05 0.00 0.31 0.00 0.00 61.69 61.54 3nef s THR 28 Cb 0.38 -1.48 -0.03 0.00 0.01 0.00 0.00 72.50 71.38 3nef s THR 28 CO -0.05 0.49 -0.14 -0.31 -0.69 0.00 0.00 174.62 173.93 3nef s TYR 29 N -0.20 1.18 0.20 4.92 2.02 -1.26 -5.06 117.35 119.15 3nef s TYR 29 Ca 0.00 -0.41 -0.30 0.00 -0.37 0.00 0.00 57.07 55.99 3nef s TYR 29 Cb -0.11 -0.68 -0.08 0.00 -0.40 0.00 0.00 41.96 40.68 3nef s TYR 29 CO 0.02 0.04 1.13 -1.14 -1.57 0.00 0.00 175.55 174.02 3nef s GLN 30 N -1.46 4.58 0.00 -0.62 0.74 -1.26 -4.99 119.66 116.64 3nef s GLN 30 Ca -0.01 1.78 0.00 0.00 0.05 0.00 0.00 55.36 57.18 3nef s GLN 30 Cb -0.09 -3.25 0.00 0.00 1.10 0.00 0.00 33.01 30.77 3nef s GLN 30 CO 0.02 0.06 0.00 1.28 -0.55 0.00 0.00 175.29 176.10 3nef n LEU 31 N 2.16 0.00 -1.71 3.68 4.77 -1.26 -5.01 117.00 119.62 3nef n LEU 31 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3nef n LEU 31 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 3nef n LEU 31 CO 0.54 0.00 -0.46 0.61 -1.33 0.00 0.00 177.39 176.75 3nef n GLY 32 N 3.87 -4.84 2.23 -0.72 0.00 -1.26 -4.86 105.19 99.61 3nef n GLY 32 Ca 0.00 -0.56 -0.03 0.00 0.00 0.00 0.00 46.02 45.43 3nef n GLY 32 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3nef n ASN 33 N -0.15 -5.39 -1.48 1.61 3.02 -1.26 -4.29 115.26 107.32 3nef n ASN 33 Ca 0.00 0.52 -0.17 0.00 -0.03 0.00 0.00 54.58 54.91 3nef n ASN 33 Cb 0.00 -3.48 -0.05 0.00 -0.61 0.00 0.00 39.78 35.64 3nef n ASN 33 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3nef n GLY 34 N -0.05 1.09 3.39 7.41 0.00 -1.26 -4.98 105.19 110.80 3nef n GLY 34 Ca 0.04 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 3nef n GLY 34 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3nef s ARG 35 N -3.85 1.53 0.05 1.61 1.81 -1.26 -0.54 118.95 118.30 3nef s ARG 35 Ca 0.00 -1.28 -0.06 0.00 -1.72 0.00 0.00 55.73 52.67 3nef s ARG 35 Cb 0.00 -1.94 -0.01 0.00 -0.45 0.00 0.00 34.95 32.54 3nef s ARG 35 CO 0.00 0.47 0.11 0.00 -0.68 0.00 0.00 175.30 175.19 3nef s SER 37 N -2.36 0.08 0.23 0.00 1.04 -1.26 -0.77 113.70 110.66 3nef s SER 37 Ca -0.02 -1.05 -0.21 0.00 0.48 0.00 0.00 55.95 55.16 3nef s SER 37 Cb 0.01 0.43 0.04 0.00 0.10 0.00 0.00 66.02 66.60 3nef s SER 37 CO -0.06 -0.91 0.65 -0.55 0.98 0.00 0.00 173.24 173.35 3nef s SER 38 N -3.03 -0.35 -0.05 7.02 0.15 -0.84 -4.99 113.70 111.60 3nef s SER 38 Ca 0.24 -0.40 -0.02 0.00 0.70 0.00 0.00 55.95 56.46 3nef s SER 38 Cb 0.04 0.66 0.03 0.00 -1.71 0.00 0.00 66.02 65.04 3nef s SER 38 CO 0.05 -1.18 0.10 -0.22 1.20 0.00 0.00 173.24 173.19 3nef s LEU 39 N -2.86 1.07 0.07 3.45 2.96 -1.26 -2.44 118.68 119.67 3nef s LEU 39 Ca 0.08 0.21 0.05 0.00 -0.22 0.00 0.00 54.13 54.24 3nef s LEU 39 Cb -0.04 0.25 -0.03 0.00 0.50 0.00 0.00 46.19 46.87 3nef s LEU 39 CO -0.01 -0.11 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.02 3nef s LEU 40 N 0.83 2.28 0.04 -0.68 1.02 0.79 -4.74 118.68 118.24 3nef s LEU 40 Ca -0.06 -0.62 0.05 0.00 0.02 0.00 0.00 54.13 53.51 3nef s LEU 40 Cb -0.09 -0.45 -0.02 0.00 0.02 0.00 0.00 46.19 45.65 3nef s LEU 40 CO -0.04 -0.11 -0.15 0.00 0.02 0.00 0.00 176.35 176.08 3nef s ALA 41 N -1.38 1.23 -0.04 4.21 0.00 0.23 -0.78 121.76 125.22 3nef s ALA 41 Ca -0.03 -0.87 -0.02 0.00 0.00 0.00 0.00 51.96 51.05 3nef s ALA 41 Cb -0.09 -0.18 0.03 0.00 0.00 0.00 0.00 23.12 22.87 3nef s ALA 41 CO 0.02 0.23 0.05 -1.14 0.00 0.00 0.00 175.76 174.92 3nef s GLN 42 N -1.23 0.01 0.07 0.00 2.00 0.06 -4.66 119.66 115.91 3nef s GLN 42 Ca 0.02 0.32 -0.25 0.00 -2.00 0.00 0.00 55.36 53.44 3nef s GLN 42 Cb -0.08 -0.52 -0.06 0.00 0.80 0.00 0.00 33.01 33.15 3nef s GLN 42 CO 0.01 -0.30 0.76 1.03 -0.50 0.00 0.00 175.29 176.29 3nef s ARG 43 N 1.95 4.50 -0.06 1.67 3.00 -1.26 -0.07 118.95 128.68 3nef s ARG 43 Ca 0.02 1.07 0.00 0.00 0.00 0.00 0.00 55.73 56.82 3nef s ARG 43 Cb -0.12 -3.34 0.02 0.00 0.00 0.00 0.00 34.95 31.51 3nef s ARG 43 CO -0.03 0.36 -0.04 0.42 0.00 0.00 0.00 175.30 176.01 3nef s ILE 44 N -0.33 0.59 -1.37 1.52 1.01 0.42 -4.95 121.20 118.08 3nef s ILE 44 Ca 0.37 -0.09 -0.11 0.00 0.00 0.00 0.00 60.65 60.82 3nef s ILE 44 Cb -0.21 -0.65 0.11 0.00 0.01 0.00 0.00 42.46 41.72 3nef s ILE 44 CO 0.23 0.26 2.06 1.41 0.00 0.00 0.00 174.94 178.91 3nef n HIS 45 N 4.53 3.18 -3.58 3.97 8.25 -1.26 -0.62 115.22 129.69 3nef n HIS 45 Ca -0.17 -2.88 -0.12 0.00 -0.26 0.00 0.00 57.72 54.29 3nef n HIS 45 Cb 0.50 -2.23 -0.05 0.00 1.12 0.00 0.00 29.99 29.34 3nef n HIS 45 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3nef s ALA 46 N 1.64 -1.19 0.50 -1.41 0.00 -1.26 -4.66 121.76 115.39 3nef s ALA 46 Ca 0.43 0.32 -0.20 0.00 0.00 0.00 0.00 51.96 52.51 3nef s ALA 46 Cb 0.12 0.56 -0.08 0.00 0.00 0.00 0.00 23.12 23.72 3nef s ALA 46 CO -0.04 -0.59 1.06 -1.25 0.00 0.00 0.00 175.76 174.94 3nef s PRO 47 N -3.12 3.70 0.47 0.00 0.04 -1.26 -3.59 135.00 131.23 3nef s PRO 47 Ca -0.01 1.41 0.22 0.00 0.04 0.00 0.00 61.00 62.65 3nef s PRO 47 Cb 0.00 -2.07 1.23 0.00 0.04 0.00 0.00 34.50 33.70 3nef s PRO 47 CO -0.07 -0.53 1.91 -1.35 0.04 0.00 0.00 177.00 177.00 3nef h PRO 48 N 1.46 0.23 -0.01 0.56 0.11 -1.88 -1.66 132.00 130.81 3nef h PRO 48 Ca -0.50 -0.01 -0.21 0.00 0.11 0.00 0.00 66.00 65.40 3nef h PRO 48 Cb 1.23 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3nef h PRO 48 CO 0.59 0.15 -0.87 1.49 -0.21 0.00 0.00 178.00 179.15 3nef h GLU 49 N 0.23 0.33 0.18 1.05 4.57 -1.98 0.12 114.58 119.08 3nef h GLU 49 Ca 0.39 -0.33 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 3nef h GLU 49 Cb 1.18 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 3nef h GLU 49 CO -0.09 1.02 -0.08 1.15 -1.18 0.00 0.00 179.01 179.82 3nef h THR 50 N 0.19 0.89 -0.59 0.32 2.02 -1.70 -1.59 112.91 112.47 3nef h THR 50 Ca -0.06 -0.32 0.06 0.00 0.77 0.00 0.00 66.41 66.87 3nef h THR 50 Cb 1.49 1.09 -0.05 0.00 -1.74 0.00 0.00 68.15 68.93 3nef h THR 50 CO 0.14 0.07 0.30 0.58 0.37 0.00 0.00 175.52 176.99 3nef h VAL 51 N -0.39 0.93 -0.36 3.16 2.07 -1.23 -2.47 116.25 117.96 3nef h VAL 51 Ca -0.02 -0.19 -0.07 0.00 0.82 0.00 0.00 66.70 67.23 3nef h VAL 51 Cb 0.30 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 3nef h VAL 51 CO 0.04 0.10 -0.09 -0.25 0.02 0.00 0.00 177.57 177.39 3nef h TRP 52 N 0.56 0.65 0.00 1.57 2.91 -0.72 -2.18 115.95 118.74 3nef h TRP 52 Ca 0.27 -0.10 -0.00 0.00 1.13 0.00 0.00 58.89 60.19 3nef h TRP 52 Cb 0.20 -0.17 -0.00 0.00 -0.51 0.00 0.00 29.16 28.67 3nef h TRP 52 CO -0.10 0.67 -0.01 0.66 -1.03 0.00 0.00 178.44 178.63 3nef h SER 53 N 0.56 0.00 0.00 2.65 4.64 -0.80 -0.74 113.55 119.86 3nef h SER 53 Ca 0.10 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.33 3nef h SER 53 Cb 0.49 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 3nef h SER 53 CO 0.03 0.01 -0.71 0.58 -0.87 0.00 0.00 176.83 175.87 3nef h VAL 54 N 0.00 0.54 -0.96 0.95 2.07 -1.38 -3.39 116.25 114.09 3nef h VAL 54 Ca -0.00 -1.61 0.21 0.00 0.82 0.00 0.00 66.70 66.13 3nef h VAL 54 Cb 0.28 1.23 -0.08 0.00 -1.52 0.00 0.00 31.29 31.20 3nef h VAL 54 CO 0.00 0.18 0.62 0.58 0.02 0.00 0.00 177.57 178.98 3nef h VAL 55 N -1.00 0.65 0.00 2.57 2.07 -1.12 -1.66 116.25 117.76 3nef h VAL 55 Ca -0.14 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.22 3nef h VAL 55 Cb 0.82 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 3nef h VAL 55 CO -0.09 0.09 0.00 -2.11 0.02 0.00 0.00 177.57 175.48 3nef n ARG 56 N -4.58 0.23 -2.29 1.57 1.85 -0.31 -4.57 116.66 108.57 3nef n ARG 56 Ca 0.21 0.29 -0.36 0.00 -1.00 0.00 0.00 57.85 56.99 3nef n ARG 56 Cb 0.71 -1.82 -0.03 0.00 -1.05 0.00 0.00 32.46 30.27 3nef n ARG 56 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3nef n ARG 57 N -2.23 2.43 0.15 2.89 5.12 -0.63 -4.77 116.66 119.62 3nef n ARG 57 Ca 0.04 -2.86 0.05 0.00 -1.93 0.00 0.00 57.85 53.15 3nef n ARG 57 Cb 0.35 -3.58 0.51 0.00 -1.16 0.00 0.00 32.46 28.57 3nef n ARG 57 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 3nef h PHE 58 N 8.48 0.20 0.00 -1.55 3.57 -1.87 -0.96 116.94 124.81 3nef h PHE 58 Ca 0.35 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.85 3nef h PHE 58 Cb 0.89 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.56 3nef h PHE 58 CO 1.33 0.20 0.00 -0.40 -2.23 0.00 0.00 178.31 177.20 3nef n ASP 59 N -4.44 0.33 -3.06 0.41 5.75 -1.26 -4.15 116.55 110.13 3nef n ASP 59 Ca -0.01 0.55 -0.20 0.00 -0.01 0.00 0.00 54.79 55.12 3nef n ASP 59 Cb 0.14 -0.63 -0.03 0.00 -1.03 0.00 0.00 41.12 39.57 3nef n ASP 59 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3nef n ARG 60 N -1.83 1.73 0.26 0.11 1.74 -0.36 -4.87 116.66 113.44 3nef n ARG 60 Ca 0.05 -3.84 0.10 0.00 -0.77 0.00 0.00 57.85 53.38 3nef n ARG 60 Cb 0.29 -1.85 0.69 0.00 -1.02 0.00 0.00 32.46 30.58 3nef n ARG 60 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3nef h PRO 61 N 2.98 0.00 -0.15 5.56 0.13 -1.72 -2.69 132.00 136.11 3nef h PRO 61 Ca 0.10 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.27 3nef h PRO 61 Cb 0.85 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.97 3nef h PRO 61 CO 0.60 0.04 0.16 1.96 -0.23 0.00 0.00 178.00 180.53 3nef h GLN 62 N 0.00 0.00 -1.25 0.86 7.50 -1.90 0.23 115.11 120.55 3nef h GLN 62 Ca -0.00 0.00 0.37 0.00 0.50 0.00 0.00 58.65 59.52 3nef h GLN 62 Cb 0.08 0.00 -0.10 0.00 0.05 0.00 0.00 27.48 27.51 3nef h GLN 62 CO 0.01 0.00 0.83 0.82 -1.50 0.00 0.00 178.83 178.99 3nef h ILE 63 N 0.00 0.31 0.00 2.54 2.04 -1.88 -3.28 117.51 117.25 3nef h ILE 63 Ca 0.07 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.87 3nef h ILE 63 Cb 0.39 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 3nef h ILE 63 CO -0.00 0.03 0.00 0.00 0.00 0.00 0.00 178.15 178.18 3nef n TYR 64 N -4.50 0.00 -3.18 1.37 0.18 -0.59 -4.95 117.16 105.49 3nef n TYR 64 Ca 0.31 0.00 -0.31 0.00 1.88 0.00 0.00 57.90 59.78 3nef n TYR 64 Cb 1.24 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 40.16 3nef n TYR 64 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3nef s LYS 65 N 0.00 3.84 0.32 -3.48 1.02 0.71 -4.27 119.74 117.87 3nef s LYS 65 Ca 0.00 0.41 0.03 0.00 0.02 0.00 0.00 55.97 56.43 3nef s LYS 65 Cb 0.00 -2.51 -0.03 0.00 -0.52 0.00 0.00 37.83 34.77 3nef s LYS 65 CO 0.00 0.16 0.48 -1.01 -0.92 0.00 0.00 175.35 174.06 3nef s HIS 66 N -2.04 3.40 -0.42 3.18 3.76 -1.26 -4.63 115.29 117.28 3nef s HIS 66 Ca 0.50 0.13 0.00 0.00 -0.15 0.00 0.00 55.06 55.54 3nef s HIS 66 Cb -0.11 -1.83 0.00 0.00 1.11 0.00 0.00 32.58 31.76 3nef s HIS 66 CO 0.24 0.17 0.00 1.19 -0.85 0.00 0.00 174.74 175.49 3nef n PHE 67 N -1.66 0.00 -3.66 1.40 3.72 -1.26 -4.98 117.46 111.02 3nef n PHE 67 Ca -0.05 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.96 3nef n PHE 67 Cb 0.57 -1.06 -0.12 0.00 -0.94 0.00 0.00 39.48 37.93 3nef n PHE 67 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3nef s ILE 68 N -2.14 4.46 0.05 4.37 1.01 -1.26 -1.18 121.20 126.51 3nef s ILE 68 Ca 0.00 -0.58 -0.18 0.00 0.00 0.00 0.00 60.65 59.89 3nef s ILE 68 Cb 0.00 -3.33 -0.17 0.00 0.01 0.00 0.00 42.46 38.96 3nef s ILE 68 CO 0.00 -0.00 1.24 0.50 0.00 0.00 0.00 174.94 176.68 3nef h LYS 69 N 8.35 0.53 -3.22 2.79 3.64 -0.05 -3.44 116.57 125.17 3nef h LYS 69 Ca -0.30 -0.42 -0.04 0.00 -1.27 0.00 0.00 60.65 58.62 3nef h LYS 69 Cb 1.13 0.08 -0.12 0.00 -0.41 0.00 0.00 32.23 32.91 3nef h LYS 69 CO 0.62 1.04 0.05 -1.54 -2.27 0.00 0.00 179.45 177.36 3nef s SER 70 N -6.66 -0.38 -0.07 4.20 1.04 -1.02 -4.99 113.70 105.83 3nef s SER 70 Ca -0.13 -0.18 -0.01 0.00 0.48 0.00 0.00 55.95 56.11 3nef s SER 70 Cb 0.06 0.53 0.03 0.00 0.10 0.00 0.00 66.02 66.74 3nef s SER 70 CO 0.83 -0.91 0.01 0.00 0.98 0.00 0.00 173.24 174.15 3nef s ASN 72 N 1.99 3.67 0.27 0.00 -0.87 -0.13 -4.96 114.94 114.92 3nef s ASN 72 Ca 0.05 -0.43 0.10 0.00 -1.57 0.00 0.00 52.86 51.01 3nef s ASN 72 Cb -0.12 -1.55 -0.05 0.00 -0.02 0.00 0.00 41.25 39.51 3nef s ASN 72 CO -0.05 0.13 -0.05 0.68 -2.57 0.00 0.00 177.10 175.24 3nef s VAL 73 N 0.53 3.19 1.06 1.60 -7.23 -1.26 -1.02 120.40 117.28 3nef s VAL 73 Ca -0.10 -2.03 -0.12 0.00 -1.81 0.00 0.00 61.98 57.92 3nef s VAL 73 Cb -0.16 -2.72 0.23 0.00 0.56 0.00 0.00 36.38 34.29 3nef s VAL 73 CO 0.04 -0.37 1.08 -0.94 -0.31 0.00 0.00 175.10 174.60 3nef s SER 74 N -3.64 1.77 0.35 4.85 1.04 -1.26 -4.90 113.70 111.90 3nef s SER 74 Ca 0.31 1.83 0.18 0.00 0.48 0.00 0.00 55.95 58.76 3nef s SER 74 Cb -0.06 -2.44 0.47 0.00 0.10 0.00 0.00 66.02 64.09 3nef s SER 74 CO 0.19 -3.76 1.63 -0.33 0.98 0.00 0.00 173.24 171.94 3nef h GLU 75 N -2.32 0.00 -1.09 4.02 4.39 -2.02 -2.71 114.58 114.86 3nef h GLU 75 Ca -0.54 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 58.64 3nef h GLU 75 Cb 1.30 0.00 -0.25 0.00 -0.10 0.00 0.00 28.75 29.70 3nef h GLU 75 CO 0.46 0.40 0.68 -0.40 -1.16 0.00 0.00 179.01 178.98 3nef n ASP 76 N -3.37 5.89 -4.67 1.42 5.75 -1.26 -4.98 116.55 115.33 3nef n ASP 76 Ca 0.01 -3.50 -0.42 0.00 -0.01 0.00 0.00 54.79 50.86 3nef n ASP 76 Cb 0.59 -0.92 -0.03 0.00 -1.03 0.00 0.00 41.12 39.74 3nef n ASP 76 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 3nef s PHE 77 N -3.09 2.54 -0.16 2.11 5.36 -1.02 -5.00 117.98 118.72 3nef s PHE 77 Ca 0.53 0.66 0.01 0.00 -0.96 0.00 0.00 56.93 57.17 3nef s PHE 77 Cb 0.42 -3.70 0.01 0.00 -0.34 0.00 0.00 43.02 39.42 3nef s PHE 77 CO 0.03 -2.68 -0.18 -1.21 -1.46 0.00 0.00 175.22 169.72 3nef s GLU 78 N 3.36 3.10 -0.88 10.12 2.02 -1.26 -5.05 118.70 130.11 3nef s GLU 78 Ca 0.64 -0.80 -0.25 0.00 0.02 0.00 0.00 54.97 54.58 3nef s GLU 78 Cb -0.29 -2.56 -0.01 0.00 0.10 0.00 0.00 34.13 31.37 3nef s GLU 78 CO 0.23 -0.06 1.76 1.41 0.02 0.00 0.00 175.26 178.63 3nef s MET 79 N 0.95 2.88 0.09 1.61 -2.45 -1.26 -4.82 119.30 116.29 3nef s MET 79 Ca -0.03 -0.38 -0.02 0.00 -1.25 0.00 0.00 55.69 54.01 3nef s MET 79 Cb -0.15 -4.99 -0.04 0.00 1.25 0.00 0.00 34.83 30.91 3nef s MET 79 CO -0.04 -2.90 0.03 -0.98 1.05 0.00 0.00 175.02 172.19 3nef s ARG 80 N 6.40 0.76 0.24 4.11 1.70 -1.26 -5.10 118.95 125.80 3nef s ARG 80 Ca 0.61 -1.28 -0.30 0.00 -0.47 0.00 0.00 55.73 54.29 3nef s ARG 80 Cb -0.06 0.24 -0.15 0.00 -0.57 0.00 0.00 34.95 34.41 3nef s ARG 80 CO 0.01 -0.19 1.13 0.28 -1.08 0.00 0.00 175.30 175.45 3nef n VAL 81 N 0.01 1.42 0.00 4.99 0.31 -1.26 -2.05 118.33 121.76 3nef n VAL 81 Ca -0.11 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 63.87 3nef n VAL 81 Cb 0.62 -1.02 0.00 0.00 -0.91 0.00 0.00 33.84 32.53 3nef n VAL 81 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3nef n GLY 82 N 1.65 2.87 3.79 2.92 0.00 0.13 -5.01 105.19 111.55 3nef n GLY 82 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 3nef n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3nef s THR 84 N -2.73 1.78 0.03 0.00 -4.23 -1.26 -0.79 115.64 108.43 3nef s THR 84 Ca 0.62 -2.11 0.02 0.00 -1.18 0.00 0.00 61.69 59.04 3nef s THR 84 Cb -0.17 -1.97 -0.02 0.00 1.34 0.00 0.00 72.50 71.68 3nef s THR 84 CO 0.49 -0.50 -0.08 0.00 -0.54 0.00 0.00 174.62 174.00 3nef s ARG 85 N -3.34 0.55 -0.28 3.99 1.70 0.62 -4.60 118.95 117.59 3nef s ARG 85 Ca 0.20 -0.58 -0.03 0.00 -0.47 0.00 0.00 55.73 54.85 3nef s ARG 85 Cb -0.03 -0.41 0.03 0.00 -0.57 0.00 0.00 34.95 33.97 3nef s ARG 85 CO 0.07 0.09 -0.00 -0.51 -1.08 0.00 0.00 175.30 173.87 3nef s ASP 86 N -1.07 4.74 -0.05 -2.89 1.11 -0.18 -0.46 116.67 117.86 3nef s ASP 86 Ca -0.05 -1.01 -0.01 0.00 0.18 0.00 0.00 52.55 51.66 3nef s ASP 86 Cb -0.07 -1.73 -0.04 0.00 1.07 0.00 0.00 42.92 42.15 3nef s ASP 86 CO 0.00 -0.20 0.02 0.54 1.18 0.00 0.00 175.17 176.72 3nef s VAL 87 N 1.34 4.42 -0.21 -1.27 0.11 0.37 -0.96 120.40 124.19 3nef s VAL 87 Ca -0.02 -0.35 -0.05 0.00 -2.93 0.00 0.00 61.98 58.64 3nef s VAL 87 Cb -0.18 -2.92 -0.02 0.00 -1.53 0.00 0.00 36.38 31.73 3nef s VAL 87 CO -0.01 0.50 0.00 0.20 -3.33 0.00 0.00 175.10 172.45 3nef s ASN 88 N -1.23 4.76 0.39 3.54 0.01 0.91 -1.23 114.94 122.08 3nef s ASN 88 Ca 0.17 -0.24 -0.24 0.00 -0.71 0.00 0.00 52.86 51.84 3nef s ASN 88 Cb -0.12 -1.82 -0.09 0.00 0.41 0.00 0.00 41.25 39.63 3nef s ASN 88 CO 0.07 0.03 1.03 -0.69 -1.51 0.00 0.00 177.10 176.03 3nef s VAL 89 N 1.18 3.82 0.59 1.60 1.01 0.26 0.61 120.40 129.47 3nef s VAL 89 Ca 0.03 1.40 -0.18 0.00 0.00 0.00 0.00 61.98 63.23 3nef s VAL 89 Cb -0.14 -3.73 -0.06 0.00 0.00 0.00 0.00 36.38 32.45 3nef s VAL 89 CO 0.01 0.02 0.87 2.30 0.00 0.00 0.00 175.10 178.30 3nef n ILE 90 N 0.01 3.37 -1.75 2.22 -5.35 -0.33 -4.44 119.36 113.09 3nef n ILE 90 Ca 0.05 -0.50 -0.42 0.00 -0.27 0.00 0.00 62.75 61.61 3nef n ILE 90 Cb 0.50 -1.05 -0.01 0.00 -1.74 0.00 0.00 39.64 37.34 3nef n ILE 90 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 3nef n SER 91 N -0.47 3.68 0.00 7.28 7.64 -1.26 -3.56 113.62 126.93 3nef n SER 91 Ca 0.13 1.19 0.00 0.00 1.01 0.00 0.00 58.87 61.20 3nef n SER 91 Cb 0.47 -1.59 0.00 0.00 -1.01 0.00 0.00 64.21 62.08 3nef n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3nef n GLY 92 N 1.22 0.79 3.96 0.23 0.00 -1.26 -5.09 105.19 105.03 3nef n GLY 92 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 3nef n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3nef s LEU 93 N 0.00 3.55 0.00 0.99 1.43 -1.23 -4.99 118.68 118.42 3nef s LEU 93 Ca 0.00 0.16 0.16 0.00 -1.03 0.00 0.00 54.13 53.42 3nef s LEU 93 Cb 0.00 -3.05 0.78 0.00 0.03 0.00 0.00 46.19 43.95 3nef s LEU 93 CO 0.00 -0.82 1.48 -0.81 0.23 0.00 0.00 176.35 176.42 3nef n PRO 94 N -2.14 0.17 -4.54 1.29 -0.04 -1.26 -4.68 135.00 123.80 3nef n PRO 94 Ca 0.03 0.16 -0.30 0.00 -0.04 0.00 0.00 63.50 63.36 3nef n PRO 94 Cb 0.58 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.41 3nef n PRO 94 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3nef s ALA 95 N -2.69 2.45 -0.11 0.55 0.00 -1.26 -4.74 121.76 115.95 3nef s ALA 95 Ca 0.13 -1.35 -0.02 0.00 0.00 0.00 0.00 51.96 50.72 3nef s ALA 95 Cb 0.11 -0.52 -0.06 0.00 0.00 0.00 0.00 23.12 22.65 3nef s ALA 95 CO 0.26 0.56 -0.12 0.09 0.00 0.00 0.00 175.76 176.55 3nef n ASN 96 N 1.20 2.30 -3.91 0.00 3.02 -0.25 -4.68 115.26 112.94 3nef n ASN 96 Ca -0.17 0.01 -0.10 0.00 -0.03 0.00 0.00 54.58 54.29 3nef n ASN 96 Cb 0.53 -0.23 -0.10 0.00 -0.61 0.00 0.00 39.78 39.36 3nef n ASN 96 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3nef s THR 97 N -2.22 0.11 -0.05 3.41 -4.23 -1.19 -0.57 115.64 110.90 3nef s THR 97 Ca -0.15 -0.88 0.01 0.00 -1.18 0.00 0.00 61.69 59.49 3nef s THR 97 Cb 0.05 -0.57 0.02 0.00 1.34 0.00 0.00 72.50 73.34 3nef s THR 97 CO 0.23 -0.48 -0.04 -0.55 -0.54 0.00 0.00 174.62 173.24 3nef s SER 98 N -1.67 1.04 -0.35 3.99 0.15 -0.37 -1.29 113.70 115.20 3nef s SER 98 Ca -0.11 -0.13 -0.13 0.00 0.70 0.00 0.00 55.95 56.28 3nef s SER 98 Cb -0.06 -0.47 -0.00 0.00 -1.71 0.00 0.00 66.02 63.78 3nef s SER 98 CO -0.01 -0.06 0.24 -0.60 1.20 0.00 0.00 173.24 174.00 3nef s ARG 99 N 1.01 3.31 0.06 5.44 3.52 0.72 -0.48 118.95 132.52 3nef s ARG 99 Ca -0.10 -0.77 0.08 0.00 -0.13 0.00 0.00 55.73 54.82 3nef s ARG 99 Cb -0.14 -3.81 -0.03 0.00 -1.56 0.00 0.00 34.95 29.41 3nef s ARG 99 CO -0.00 -0.53 -0.21 -1.21 -0.81 0.00 0.00 175.30 172.54 3nef s GLU 100 N 1.69 1.90 -0.07 5.12 2.02 0.39 0.08 118.70 129.82 3nef s GLU 100 Ca 0.05 -1.08 0.03 0.00 0.02 0.00 0.00 54.97 54.00 3nef s GLU 100 Cb -0.18 -2.09 0.01 0.00 0.10 0.00 0.00 34.13 31.97 3nef s GLU 100 CO 0.10 0.52 -0.18 0.50 0.02 0.00 0.00 175.26 176.22 3nef s ARG 101 N -1.51 2.24 -0.23 1.61 3.52 0.77 -0.28 118.95 125.07 3nef s ARG 101 Ca 0.14 -0.63 -0.29 0.00 -0.13 0.00 0.00 55.73 54.82 3nef s ARG 101 Cb -0.10 -1.78 -0.02 0.00 -1.56 0.00 0.00 34.95 31.49 3nef s ARG 101 CO 0.05 0.13 1.46 -1.17 -0.81 0.00 0.00 175.30 174.96 3nef s LEU 102 N 0.43 3.95 -0.07 -0.88 2.96 0.03 -0.72 118.68 124.37 3nef s LEU 102 Ca -0.14 1.52 0.03 0.00 -0.22 0.00 0.00 54.13 55.31 3nef s LEU 102 Cb -0.16 -3.54 -0.25 0.00 0.50 0.00 0.00 46.19 42.75 3nef s LEU 102 CO 0.05 -1.12 0.54 0.44 -1.32 0.00 0.00 176.35 174.95 3nef h ASP 103 N 9.84 0.22 -3.54 3.68 3.32 -1.05 0.38 116.42 129.26 3nef h ASP 103 Ca -0.30 -0.48 -0.17 0.00 0.02 0.00 0.00 57.03 56.10 3nef h ASP 103 Cb 1.13 -0.07 -0.27 0.00 0.22 0.00 0.00 39.33 40.33 3nef h ASP 103 CO 1.01 1.43 -0.42 -0.76 -1.72 0.00 0.00 179.24 178.77 3nef s LEU 104 N -6.59 0.58 -0.29 1.55 1.43 -1.10 -4.79 118.68 109.48 3nef s LEU 104 Ca -0.13 0.59 0.02 0.00 -1.03 0.00 0.00 54.13 53.58 3nef s LEU 104 Cb 0.07 0.91 0.17 0.00 0.03 0.00 0.00 46.19 47.37 3nef s LEU 104 CO 0.80 -0.14 0.47 -0.22 0.23 0.00 0.00 176.35 177.49 3nef s LEU 105 N 0.79 -1.04 -0.32 1.79 0.20 -1.25 -2.28 118.68 116.58 3nef s LEU 105 Ca -0.05 -0.07 0.02 0.00 0.69 0.00 0.00 54.13 54.71 3nef s LEU 105 Cb -0.06 1.43 0.10 0.00 -0.43 0.00 0.00 46.19 47.22 3nef s LEU 105 CO -0.05 -0.33 0.07 -0.62 -0.29 0.00 0.00 176.35 175.13 3nef s ASP 106 N 2.64 4.38 0.32 3.68 3.68 -0.07 -4.98 116.67 126.33 3nef s ASP 106 Ca 0.11 -1.87 0.26 0.00 2.13 0.00 0.00 52.55 53.18 3nef s ASP 106 Cb -0.12 -1.24 0.90 0.00 -1.45 0.00 0.00 42.92 41.01 3nef s ASP 106 CO -0.27 -0.39 1.77 0.44 0.13 0.00 0.00 175.17 176.85 3nef h ASP 107 N 7.86 0.00 0.03 -0.34 3.45 -1.97 0.83 116.42 126.28 3nef h ASP 107 Ca -0.09 0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.31 3nef h ASP 107 Cb 1.02 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 39.79 3nef h ASP 107 CO 0.49 0.00 -0.23 0.44 -1.57 0.00 0.00 179.24 178.37 3nef h ASP 108 N 0.00 0.15 -0.01 6.45 3.32 -1.96 -3.36 116.42 121.01 3nef h ASP 108 Ca 0.00 -0.94 0.00 0.00 0.02 0.00 0.00 57.03 56.11 3nef h ASP 108 Cb 0.61 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.11 3nef h ASP 108 CO 0.00 1.07 -0.13 0.54 -1.72 0.00 0.00 179.24 179.00 3nef n ARG 109 N -4.48 1.87 -3.40 3.56 1.74 -1.21 -4.99 116.66 109.74 3nef n ARG 109 Ca -0.11 -1.47 -0.20 0.00 -0.77 0.00 0.00 57.85 55.30 3nef n ARG 109 Cb 0.56 -1.47 0.06 0.00 -1.02 0.00 0.00 32.46 30.59 3nef n ARG 109 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3nef n ARG 110 N 0.72 -2.37 -4.50 5.56 1.74 0.25 -4.67 116.66 113.38 3nef n ARG 110 Ca 0.13 0.74 -0.24 0.00 -0.77 0.00 0.00 57.85 57.71 3nef n ARG 110 Cb 0.52 -5.33 -0.17 0.00 -1.02 0.00 0.00 32.46 26.46 3nef n ARG 110 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3nef s VAL 111 N -3.42 1.08 0.17 1.55 1.01 -0.98 -1.60 120.40 118.21 3nef s VAL 111 Ca 0.41 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.96 3nef s VAL 111 Cb -0.08 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 3nef s VAL 111 CO 0.78 0.35 0.05 0.28 0.00 0.00 0.00 175.10 176.55 3nef s THR 112 N 0.76 0.34 -0.09 3.92 -1.32 -0.23 -0.89 115.64 118.13 3nef s THR 112 Ca -0.13 -1.95 -0.30 0.00 -1.21 0.00 0.00 61.69 58.10 3nef s THR 112 Cb -0.15 -2.19 0.11 0.00 -1.51 0.00 0.00 72.50 68.76 3nef s THR 112 CO 0.03 -0.36 0.95 -0.83 -2.21 0.00 0.00 174.62 172.19 3nef s GLY 113 N -3.13 -0.37 0.18 6.08 0.00 -0.96 -0.34 107.32 108.77 3nef s GLY 113 Ca 0.27 1.52 -0.08 0.00 0.00 0.00 0.00 44.72 46.43 3nef s GLY 113 CO 0.05 0.68 0.28 -0.11 0.00 0.00 0.00 173.10 174.00 3nef s PHE 114 N -2.11 0.50 0.02 1.90 -0.12 -0.18 -0.40 117.98 117.60 3nef s PHE 114 Ca 0.02 -0.85 0.07 0.00 -0.05 0.00 0.00 56.93 56.11 3nef s PHE 114 Cb -0.01 -0.10 -0.02 0.00 -0.63 0.00 0.00 43.02 42.26 3nef s PHE 114 CO -0.03 -0.74 -0.20 -1.12 -0.05 0.00 0.00 175.22 173.08 3nef s SER 115 N -3.00 2.37 -0.20 1.98 0.01 0.10 -0.66 113.70 114.29 3nef s SER 115 Ca 0.21 -0.45 -0.16 0.00 1.31 0.00 0.00 55.95 56.86 3nef s SER 115 Cb 0.03 -0.22 -0.04 0.00 0.21 0.00 0.00 66.02 66.00 3nef s SER 115 CO 0.03 0.19 0.39 -0.63 0.41 0.00 0.00 173.24 173.62 3nef s ILE 116 N -0.66 5.21 -0.72 1.44 1.01 -0.43 -0.16 121.20 126.88 3nef s ILE 116 Ca 0.07 0.68 0.07 0.00 0.00 0.00 0.00 60.65 61.48 3nef s ILE 116 Cb -0.08 -3.72 0.01 0.00 0.01 0.00 0.00 42.46 38.68 3nef s ILE 116 CO 0.01 0.26 0.58 0.35 0.00 0.00 0.00 174.94 176.13 3nef n THR 117 N 4.32 0.00 0.00 2.92 -2.24 0.11 -4.02 114.28 115.38 3nef n THR 117 Ca -0.09 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 3nef n THR 117 Cb 0.51 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.84 3nef n THR 117 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3nef n GLY 118 N 0.68 0.00 0.00 3.38 0.00 -1.26 -5.02 105.19 102.97 3nef n GLY 118 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3nef n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nef n GLY 119 N -0.11 0.03 3.40 -0.02 0.00 -1.26 0.26 105.19 107.49 3nef n GLY 119 Ca 0.00 -2.02 -0.45 0.00 0.00 0.00 0.00 46.02 43.55 3nef n GLY 119 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3nef s GLU 120 N 0.00 3.74 0.04 1.61 2.02 -0.41 -4.94 118.70 120.76 3nef s GLU 120 Ca 0.00 -2.27 -0.24 0.00 0.02 0.00 0.00 54.97 52.48 3nef s GLU 120 Cb 0.00 -4.74 0.08 0.00 0.10 0.00 0.00 34.13 29.57 3nef s GLU 120 CO 0.00 -1.55 1.10 -2.39 0.02 0.00 0.00 175.26 172.43 3nef n HIS 121 N 5.14 -0.66 -1.84 1.61 1.44 -1.26 -1.09 115.22 118.56 3nef n HIS 121 Ca 0.22 -0.82 -0.02 0.00 -2.01 0.00 0.00 57.72 55.09 3nef n HIS 121 Cb 0.46 0.38 0.14 0.00 0.12 0.00 0.00 29.99 31.09 3nef n HIS 121 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3nef n ARG 122 N -0.78 1.99 -3.17 -1.40 1.74 -1.26 -4.75 116.66 109.02 3nef n ARG 122 Ca 0.02 -3.43 -0.34 0.00 -0.77 0.00 0.00 57.85 53.33 3nef n ARG 122 Cb 0.53 -1.65 -0.03 0.00 -1.02 0.00 0.00 32.46 30.28 3nef n ARG 122 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3nef n LEU 123 N -0.85 5.14 -4.69 0.55 4.77 -1.26 -4.72 117.00 115.94 3nef n LEU 123 Ca 0.24 -5.36 -0.42 0.00 -0.03 0.00 0.00 56.01 50.43 3nef n LEU 123 Cb 0.81 -0.94 -0.03 0.00 -2.33 0.00 0.00 43.42 40.93 3nef n LEU 123 CO 0.08 1.93 1.18 -0.13 -1.33 0.00 0.00 177.39 179.11 3nef s ARG 124 N -2.78 4.26 -1.23 3.23 1.81 -1.26 -3.27 118.95 119.71 3nef s ARG 124 Ca 0.37 2.06 -0.05 0.00 -1.72 0.00 0.00 55.73 56.39 3nef s ARG 124 Cb 0.12 -3.58 0.01 0.00 -0.45 0.00 0.00 34.95 31.04 3nef s ARG 124 CO 0.03 -0.62 0.69 0.09 -0.68 0.00 0.00 175.30 174.81 3nef n ASN 125 N 5.45 -5.47 -4.77 0.23 3.02 -1.26 -1.66 115.26 110.81 3nef n ASN 125 Ca 0.14 -0.32 -0.40 0.00 -0.03 0.00 0.00 54.58 53.97 3nef n ASN 125 Cb 0.43 -4.22 -0.02 0.00 -0.61 0.00 0.00 39.78 35.36 3nef n ASN 125 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3nef s TYR 126 N -3.15 2.97 -0.12 3.10 5.04 -1.20 -4.38 117.35 119.62 3nef s TYR 126 Ca 0.34 1.40 -0.06 0.00 -2.44 0.00 0.00 57.07 56.31 3nef s TYR 126 Cb -0.15 -3.70 0.05 0.00 0.35 0.00 0.00 41.96 38.51 3nef s TYR 126 CO 0.42 -1.97 0.27 0.21 -1.34 0.00 0.00 175.55 173.14 3nef s LYS 127 N -1.90 0.23 0.04 4.97 2.20 -0.39 -1.31 119.74 123.58 3nef s LYS 127 Ca 0.51 0.59 0.02 0.00 -0.36 0.00 0.00 55.97 56.72 3nef s LYS 127 Cb -0.40 -0.10 -0.02 0.00 -1.51 0.00 0.00 37.83 35.80 3nef s LYS 127 CO 0.53 -0.17 -0.07 0.45 -0.36 0.00 0.00 175.35 175.73 3nef s SER 128 N 1.39 0.75 0.00 1.43 0.15 0.16 -1.28 113.70 116.30 3nef s SER 128 Ca -0.08 -0.58 0.01 0.00 0.70 0.00 0.00 55.95 56.00 3nef s SER 128 Cb -0.10 0.06 -0.01 0.00 -1.71 0.00 0.00 66.02 64.26 3nef s SER 128 CO -0.09 -0.25 -0.05 -0.69 1.20 0.00 0.00 173.24 173.36 3nef s VAL 129 N -1.59 0.36 -0.05 4.45 1.01 -0.57 -1.01 120.40 123.00 3nef s VAL 129 Ca -0.09 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 61.62 3nef s VAL 129 Cb -0.09 -0.32 0.01 0.00 0.00 0.00 0.00 36.38 35.98 3nef s VAL 129 CO -0.00 0.03 -0.13 -0.89 0.00 0.00 0.00 175.10 174.11 3nef s THR 130 N -0.27 1.18 0.04 3.92 2.01 0.54 -1.38 115.64 121.69 3nef s THR 130 Ca 0.00 -0.54 0.05 0.00 0.31 0.00 0.00 61.69 61.52 3nef s THR 130 Cb -0.03 -1.06 -0.02 0.00 0.01 0.00 0.00 72.50 71.40 3nef s THR 130 CO -0.00 0.36 -0.15 0.42 -0.69 0.00 0.00 174.62 174.56 3nef s THR 131 N 0.42 1.19 -0.01 -0.82 -4.23 -0.26 -1.06 115.64 110.87 3nef s THR 131 Ca -0.10 -1.06 0.07 0.00 -1.18 0.00 0.00 61.69 59.42 3nef s THR 131 Cb -0.14 -1.08 -0.02 0.00 1.34 0.00 0.00 72.50 72.61 3nef s THR 131 CO 0.03 0.01 -0.22 0.68 -0.54 0.00 0.00 174.62 174.58 3nef s VAL 132 N -0.89 1.75 0.04 2.29 -7.23 -0.63 -1.56 120.40 114.19 3nef s VAL 132 Ca 0.02 -0.97 0.04 0.00 -1.81 0.00 0.00 61.98 59.26 3nef s VAL 132 Cb -0.08 -1.46 -0.02 0.00 0.56 0.00 0.00 36.38 35.38 3nef s VAL 132 CO 0.01 0.48 -0.11 -1.00 -0.31 0.00 0.00 175.10 174.18 3nef s HIS 133 N -0.54 0.93 0.41 2.82 3.76 -0.50 -4.78 115.29 117.39 3nef s HIS 133 Ca 0.09 -0.38 -0.17 0.00 -0.15 0.00 0.00 55.06 54.44 3nef s HIS 133 Cb -0.09 -0.55 -0.09 0.00 1.11 0.00 0.00 32.58 32.96 3nef s HIS 133 CO -0.01 -0.01 0.87 0.50 -0.85 0.00 0.00 174.74 175.25 3nef s ARG 134 N -1.25 4.06 -0.03 1.40 3.52 -1.26 -1.18 118.95 124.20 3nef s ARG 134 Ca -0.03 0.88 -0.07 0.00 -0.13 0.00 0.00 55.73 56.39 3nef s ARG 134 Cb -0.08 -2.27 0.01 0.00 -1.56 0.00 0.00 34.95 31.05 3nef s ARG 134 CO 0.01 -0.02 0.16 -0.06 -0.81 0.00 0.00 175.30 174.58 3nef s PHE 135 N -2.22 -0.08 0.18 5.12 0.08 0.14 -4.81 117.98 116.38 3nef s PHE 135 Ca 0.58 0.19 -0.02 0.00 0.12 0.00 0.00 56.93 57.79 3nef s PHE 135 Cb -0.10 0.01 -0.04 0.00 -0.57 0.00 0.00 43.02 42.33 3nef s PHE 135 CO 0.20 -0.18 0.14 -1.21 -0.10 0.00 0.00 175.22 174.07 3nef s GLU 136 N -0.58 1.14 0.00 0.44 2.02 -1.26 -1.98 118.70 118.48 3nef s GLU 136 Ca -0.07 -1.51 0.00 0.00 0.02 0.00 0.00 54.97 53.41 3nef s GLU 136 Cb -0.04 0.28 0.00 0.00 0.10 0.00 0.00 34.13 34.47 3nef s GLU 136 CO 0.01 -0.37 0.00 1.63 0.02 0.00 0.00 175.26 176.55 3nef n LYS 137 N -0.22 0.00 0.00 1.61 4.76 -1.26 -5.06 118.16 117.99 3nef n LYS 137 Ca -0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 3nef n LYS 137 Cb 0.65 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.84 3nef n LYS 137 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3nef n ARG 143 N -0.12 0.00 -4.55 1.97 5.12 -1.26 -5.17 116.66 112.65 3nef n ARG 143 Ca 0.00 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.59 3nef n ARG 143 Cb 0.00 0.00 -0.15 0.00 -1.16 0.00 0.00 32.46 31.15 3nef n ARG 143 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3nef s ILE 144 N -2.00 2.68 0.31 0.55 1.09 -1.26 -5.01 121.20 117.57 3nef s ILE 144 Ca 0.00 -0.77 0.03 0.00 -1.10 0.00 0.00 60.65 58.81 3nef s ILE 144 Cb 0.00 -2.13 -0.05 0.00 -1.06 0.00 0.00 42.46 39.22 3nef s ILE 144 CO 0.00 0.52 0.11 -1.66 -0.10 0.00 0.00 174.94 173.80 3nef s TRP 145 N 0.78 1.71 0.05 3.97 -2.14 -0.84 -4.40 118.94 118.08 3nef s TRP 145 Ca -0.06 -1.19 0.09 0.00 2.66 0.00 0.00 56.10 57.60 3nef s TRP 145 Cb -0.15 -1.03 -0.03 0.00 -3.10 0.00 0.00 33.47 29.15 3nef s TRP 145 CO 0.00 -0.29 -0.24 0.99 -2.66 0.00 0.00 176.95 174.76 3nef s THR 146 N -3.50 1.95 -0.11 0.66 2.01 0.21 -0.69 115.64 116.18 3nef s THR 146 Ca 0.34 -1.35 0.03 0.00 0.31 0.00 0.00 61.69 61.03 3nef s THR 146 Cb 0.06 -1.68 0.00 0.00 0.01 0.00 0.00 72.50 70.89 3nef s THR 146 CO 0.15 0.27 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.44 3nef s VAL 147 N -0.83 1.95 -0.18 3.82 1.01 -0.32 -0.44 120.40 125.40 3nef s VAL 147 Ca 0.10 -0.94 -0.08 0.00 0.00 0.00 0.00 61.98 61.06 3nef s VAL 147 Cb -0.10 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 3nef s VAL 147 CO 0.02 0.53 0.08 -0.69 0.00 0.00 0.00 175.10 175.04 3nef s VAL 148 N 0.50 4.94 -0.14 2.92 1.01 0.91 -1.41 120.40 129.12 3nef s VAL 148 Ca -0.16 0.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 3nef s VAL 148 Cb -0.17 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 3nef s VAL 148 CO 0.06 0.47 -0.02 -0.76 0.00 0.00 0.00 175.10 174.84 3nef s LEU 149 N 0.25 3.36 -0.03 3.92 1.43 -0.60 -0.76 118.68 126.25 3nef s LEU 149 Ca 0.05 -0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.11 3nef s LEU 149 Cb -0.12 -1.80 0.01 0.00 0.03 0.00 0.00 46.19 44.31 3nef s LEU 149 CO -0.00 0.22 -0.05 -0.70 0.23 0.00 0.00 176.35 176.05 3nef s GLU 150 N 0.06 0.79 0.24 1.70 2.12 0.04 -1.10 118.70 122.54 3nef s GLU 150 Ca 0.01 -0.16 0.01 0.00 0.36 0.00 0.00 54.97 55.19 3nef s GLU 150 Cb -0.13 -0.78 -0.05 0.00 0.26 0.00 0.00 34.13 33.43 3nef s GLU 150 CO 0.02 -0.01 0.09 -1.54 -0.54 0.00 0.00 175.26 173.28 3nef s SER 151 N 0.61 1.02 0.11 -1.70 1.04 -0.48 -0.15 113.70 114.15 3nef s SER 151 Ca -0.08 -1.36 -0.25 0.00 0.48 0.00 0.00 55.95 54.74 3nef s SER 151 Cb -0.12 0.19 0.08 0.00 0.10 0.00 0.00 66.02 66.27 3nef s SER 151 CO 0.00 -0.73 0.67 -0.72 0.98 0.00 0.00 173.24 173.45 3nef s TYR 152 N -3.81 -0.50 0.11 5.02 1.13 -1.02 -1.52 117.35 116.76 3nef s TYR 152 Ca 0.36 0.36 0.09 0.00 -1.41 0.00 0.00 57.07 56.47 3nef s TYR 152 Cb 0.07 0.54 -0.04 0.00 -1.10 0.00 0.00 41.96 41.44 3nef s TYR 152 CO 0.12 -0.76 -0.23 0.54 -2.51 0.00 0.00 175.55 172.71 3nef s VAL 153 N -3.42 1.90 0.02 -3.49 0.11 -0.40 -1.99 120.40 113.13 3nef s VAL 153 Ca 0.01 -1.62 -0.27 0.00 -2.93 0.00 0.00 61.98 57.17 3nef s VAL 153 Cb -0.01 -1.71 0.06 0.00 -1.53 0.00 0.00 36.38 33.19 3nef s VAL 153 CO -0.11 -0.02 0.61 0.54 -3.33 0.00 0.00 175.10 172.80 3nef s VAL 154 N -1.15 0.01 0.50 2.04 0.11 0.05 -1.26 120.40 120.70 3nef s VAL 154 Ca 0.09 -0.08 -0.22 0.00 -2.93 0.00 0.00 61.98 58.84 3nef s VAL 154 Cb -0.10 -0.98 -0.06 0.00 -1.53 0.00 0.00 36.38 33.71 3nef s VAL 154 CO 0.05 -0.04 1.21 -1.81 -3.33 0.00 0.00 175.10 171.18 3nef s ASP 155 N -1.68 5.84 -0.34 3.54 1.01 -0.66 -0.98 116.67 123.39 3nef s ASP 155 Ca -0.07 2.42 -0.15 0.00 0.71 0.00 0.00 52.55 55.46 3nef s ASP 155 Cb -0.01 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.30 3nef s ASP 155 CO 0.03 -1.15 0.33 -0.69 0.21 0.00 0.00 175.17 173.89 3nef s VAL 156 N -1.50 5.20 0.42 -1.27 1.01 0.30 -4.57 120.40 119.99 3nef s VAL 156 Ca 0.67 -0.05 -0.23 0.00 0.00 0.00 0.00 61.98 62.37 3nef s VAL 156 Cb -0.31 -3.80 -0.11 0.00 0.00 0.00 0.00 36.38 32.15 3nef s VAL 156 CO 0.37 -0.08 0.77 -2.65 0.00 0.00 0.00 175.10 173.51 3nef n PRO 157 N 5.31 0.91 -0.32 2.72 -0.02 -1.26 -4.85 135.00 137.48 3nef n PRO 157 Ca -0.10 0.33 0.16 0.00 -2.02 0.00 0.00 63.50 61.87 3nef n PRO 157 Cb 0.49 -1.75 0.32 0.00 -0.02 0.00 0.00 33.50 32.54 3nef n PRO 157 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3nef h GLU 158 N 1.12 0.08 -0.42 -0.52 4.39 -1.99 -1.62 114.58 115.61 3nef h GLU 158 Ca -0.42 -0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.15 3nef h GLU 158 Cb 1.37 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 29.93 3nef h GLU 158 CO 0.54 0.05 0.06 0.41 -1.16 0.00 0.00 179.01 178.91 3nef n GLY 159 N -1.42 4.22 3.54 -3.84 0.00 -1.26 -4.97 105.19 101.46 3nef n GLY 159 Ca 0.24 -1.09 -0.24 0.00 0.00 0.00 0.00 46.02 44.93 3nef n GLY 159 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3nef s ASN 160 N -1.88 3.94 0.49 1.61 0.01 -0.61 -5.14 114.94 113.36 3nef s ASN 160 Ca 0.47 -0.93 -0.03 0.00 -0.71 0.00 0.00 52.86 51.66 3nef s ASN 160 Cb 0.39 -0.49 -0.01 0.00 0.41 0.00 0.00 41.25 41.56 3nef s ASN 160 CO 0.07 -0.02 0.75 -0.94 -1.51 0.00 0.00 177.10 175.45 3nef s SER 161 N -3.59 5.87 0.15 -1.22 1.04 -1.26 -4.73 113.70 109.96 3nef s SER 161 Ca 0.31 0.55 -0.13 0.00 0.48 0.00 0.00 55.95 57.16 3nef s SER 161 Cb -0.04 -1.76 0.04 0.00 0.10 0.00 0.00 66.02 64.36 3nef s SER 161 CO 0.17 -0.76 1.66 -0.08 0.98 0.00 0.00 173.24 175.21 3nef h GLU 162 N 0.21 0.83 -0.21 4.02 4.81 -1.96 -2.21 114.58 120.07 3nef h GLU 162 Ca -0.46 -0.20 0.02 0.00 -0.13 0.00 0.00 59.36 58.59 3nef h GLU 162 Cb 1.24 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 3nef h GLU 162 CO 0.59 0.79 0.08 1.49 -0.73 0.00 0.00 179.01 181.24 3nef h GLU 163 N 0.72 0.19 -0.41 1.92 4.81 -1.99 -0.15 114.58 119.67 3nef h GLU 163 Ca 0.16 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.41 3nef h GLU 163 Cb 0.33 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 3nef h GLU 163 CO 0.00 0.12 0.20 -0.44 -0.73 0.00 0.00 179.01 178.17 3nef h ASP 164 N 0.19 0.29 -0.38 1.04 3.32 -1.94 0.44 116.42 119.39 3nef h ASP 164 Ca 0.09 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.18 3nef h ASP 164 Cb 0.05 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 3nef h ASP 164 CO -0.08 0.21 0.21 0.74 -1.72 0.00 0.00 179.24 178.60 3nef h THR 165 N 0.41 1.02 -0.26 0.35 2.02 -0.99 -1.05 112.91 114.41 3nef h THR 165 Ca 0.17 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.19 3nef h THR 165 Cb 0.08 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 3nef h THR 165 CO -0.12 0.08 0.09 -0.09 0.37 0.00 0.00 175.52 175.85 3nef h ARG 166 N 0.43 0.40 -0.67 6.66 2.43 -0.75 -1.19 114.38 121.70 3nef h ARG 166 Ca 0.15 -0.08 0.12 0.00 -0.81 0.00 0.00 59.98 59.36 3nef h ARG 166 Cb 0.02 -0.06 -0.09 0.00 -0.42 0.00 0.00 29.97 29.42 3nef h ARG 166 CO -0.08 0.46 0.22 -0.07 -1.51 0.00 0.00 179.97 178.98 3nef h LEU 167 N 0.27 0.15 0.66 3.80 4.07 -0.65 0.36 115.31 123.97 3nef h LEU 167 Ca 0.09 0.11 -0.03 0.00 0.08 0.00 0.00 57.88 58.12 3nef h LEU 167 Cb 0.22 0.11 0.01 0.00 1.08 0.00 0.00 40.66 42.07 3nef h LEU 167 CO -0.00 0.07 -0.32 0.15 -1.08 0.00 0.00 178.44 177.26 3nef h PHE 168 N 0.36 -0.82 -0.77 1.13 3.57 -0.78 -1.11 116.94 118.51 3nef h PHE 168 Ca 0.36 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.84 3nef h PHE 168 Cb 0.53 0.27 -0.04 0.00 2.79 0.00 0.00 35.95 39.50 3nef h PHE 168 CO -0.20 -0.51 0.50 0.00 -2.23 0.00 0.00 178.31 175.86 3nef h ALA 169 N -1.56 1.42 -0.86 2.41 0.00 -1.11 -2.07 119.26 117.49 3nef h ALA 169 Ca -0.09 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.77 3nef h ALA 169 Cb 0.68 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3nef h ALA 169 CO 0.15 0.52 0.57 -0.44 0.00 0.00 0.00 179.25 180.06 3nef h ASP 170 N 1.05 0.98 -0.61 0.00 5.19 -0.19 -2.19 116.42 120.66 3nef h ASP 170 Ca 0.28 -0.02 -0.10 0.00 -0.62 0.00 0.00 57.03 56.57 3nef h ASP 170 Cb -0.10 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.15 3nef h ASP 170 CO -0.06 0.70 -0.01 0.00 -3.12 0.00 0.00 179.24 176.76 3nef h THR 171 N 1.15 1.27 0.46 0.35 1.03 -0.47 0.43 112.91 117.13 3nef h THR 171 Ca 0.32 -1.17 -0.02 0.00 -0.01 0.00 0.00 66.41 65.53 3nef h THR 171 Cb -0.10 0.80 0.00 0.00 -1.07 0.00 0.00 68.15 67.78 3nef h THR 171 CO -0.08 0.42 -0.22 0.58 -0.01 0.00 0.00 175.52 176.22 3nef h VAL 172 N 0.98 0.53 -0.25 0.00 2.07 -1.39 -2.27 116.25 115.93 3nef h VAL 172 Ca 0.17 -0.22 0.04 0.00 0.82 0.00 0.00 66.70 67.51 3nef h VAL 172 Cb 0.57 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 3nef h VAL 172 CO 0.03 0.04 0.00 0.40 0.02 0.00 0.00 177.57 178.06 3nef h ILE 173 N -0.75 0.83 -0.57 4.57 2.04 -1.17 -0.53 117.51 121.93 3nef h ILE 173 Ca -0.06 -0.03 0.10 0.00 1.00 0.00 0.00 64.86 65.87 3nef h ILE 173 Cb 0.54 0.74 -0.08 0.00 -0.74 0.00 0.00 36.82 37.28 3nef h ILE 173 CO 0.10 0.01 0.14 -0.09 0.00 0.00 0.00 178.15 178.32 3nef h ARG 174 N 0.08 0.28 -0.17 2.37 2.43 -0.13 0.71 114.38 119.96 3nef h ARG 174 Ca 0.12 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 3nef h ARG 174 Cb 0.15 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 3nef h ARG 174 CO -0.20 0.19 0.04 -0.07 -1.51 0.00 0.00 179.97 178.42 3nef h LEU 175 N 0.29 0.26 -0.77 3.80 3.38 -1.03 -2.05 115.31 119.18 3nef h LEU 175 Ca 0.29 -0.24 0.11 0.00 0.09 0.00 0.00 57.88 58.13 3nef h LEU 175 Cb 0.40 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.00 3nef h LEU 175 CO -0.35 0.43 0.40 0.78 0.09 0.00 0.00 178.44 179.78 3nef h ASN 176 N 0.08 0.52 0.01 -0.43 2.35 -0.37 -0.26 115.58 117.47 3nef h ASN 176 Ca 0.05 0.07 -0.12 0.00 -0.55 0.00 0.00 56.30 55.75 3nef h ASN 176 Cb 0.27 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 3nef h ASN 176 CO 0.00 0.28 -0.36 -0.07 -1.65 0.00 0.00 177.43 175.62 3nef h LEU 177 N 0.64 0.50 -0.58 1.61 3.38 -0.76 0.11 115.31 120.21 3nef h LEU 177 Ca 0.39 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 58.17 3nef h LEU 177 Cb 0.44 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3nef h LEU 177 CO -0.29 0.82 0.38 1.56 0.09 0.00 0.00 178.44 181.00 3nef h GLN 178 N 0.40 0.74 -0.20 1.13 4.20 -0.54 -0.49 115.11 120.36 3nef h GLN 178 Ca 0.04 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 3nef h GLN 178 Cb 0.82 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 3nef h GLN 178 CO 0.07 0.49 0.02 -0.22 -0.67 0.00 0.00 178.83 178.52 3nef h LYS 179 N 0.76 0.33 -0.68 1.46 3.64 -0.63 -0.06 116.57 121.39 3nef h LYS 179 Ca 0.22 -0.09 0.11 0.00 -1.27 0.00 0.00 60.65 59.61 3nef h LYS 179 Cb -0.07 -0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 31.64 3nef h LYS 179 CO -0.06 0.50 0.27 1.25 -2.27 0.00 0.00 179.45 179.15 3nef h LEU 180 N 0.12 0.28 -0.39 5.20 5.85 -0.61 -0.71 115.31 125.05 3nef h LEU 180 Ca 0.06 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 3nef h LEU 180 Cb 0.33 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 3nef h LEU 180 CO 0.01 0.15 0.20 0.00 -0.34 0.00 0.00 178.44 178.45 3nef h ALA 181 N 1.47 0.51 -0.07 1.25 0.00 -0.75 -2.28 119.26 119.38 3nef h ALA 181 Ca 0.35 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 3nef h ALA 181 Cb 0.47 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3nef h ALA 181 CO -0.34 0.06 0.04 1.03 0.00 0.00 0.00 179.25 180.04 3nef h SER 182 N 0.50 0.10 0.09 0.00 0.87 0.08 -0.29 113.55 114.89 3nef h SER 182 Ca 0.14 -0.12 -0.17 0.00 -1.23 0.00 0.00 61.79 60.40 3nef h SER 182 Cb 0.10 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.03 3nef h SER 182 CO -0.02 0.19 -0.63 0.16 -0.53 0.00 0.00 176.83 176.00 3nef h ILE 183 N -0.00 1.34 0.00 2.23 3.07 -1.18 -1.32 117.51 121.64 3nef h ILE 183 Ca 0.03 -1.93 -0.06 0.00 1.55 0.00 0.00 64.86 64.44 3nef h ILE 183 Cb 0.12 1.90 -0.01 0.00 -0.27 0.00 0.00 36.82 38.57 3nef h ILE 183 CO -0.00 0.59 -0.31 0.71 -1.05 0.00 0.00 178.15 178.09 3nef h THR 184 N 0.39 0.56 0.00 0.16 1.35 -1.36 -2.90 112.91 111.10 3nef h THR 184 Ca -0.01 -1.65 0.00 0.00 -0.55 0.00 0.00 66.41 64.20 3nef h THR 184 Cb 1.19 2.16 0.00 0.00 -1.73 0.00 0.00 68.15 69.78 3nef h THR 184 CO 0.12 0.30 -0.12 -0.33 -0.25 0.00 0.00 175.52 175.24 3nef h GLU 185 N 0.00 0.00 -0.75 4.72 5.08 -0.96 -3.41 114.58 119.26 3nef h GLU 185 Ca -0.00 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.40 3nef h GLU 185 Cb 1.14 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.34 3nef h GLU 185 CO 0.04 0.00 0.46 0.00 -1.00 0.00 0.00 179.01 178.51 3nef h ALA 186 N 2.09 1.01 -0.04 3.43 0.00 -1.02 -2.62 119.26 122.10 3nef h ALA 186 Ca 0.00 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.65 3nef h ALA 186 Cb 0.96 -0.21 0.02 0.00 0.00 0.00 0.00 17.79 18.55 3nef h ALA 186 CO 0.00 0.21 -0.96 1.98 0.00 0.00 0.00 179.25 180.48 3nef h MET 187 N 0.87 0.72 0.00 0.00 1.85 -1.78 -3.48 114.93 113.11 3nef h MET 187 Ca 0.32 -0.72 0.00 0.00 -0.61 0.00 0.00 59.70 58.68 3nef h MET 187 Cb 0.10 0.19 0.00 0.00 0.43 0.00 0.00 31.60 32.33 3nef h MET 187 CO -0.15 1.31 0.00 0.09 -0.40 0.00 0.00 176.91 177.76 3nef n ASN 188 N -3.89 0.00 0.00 1.39 5.03 -0.99 -5.23 115.26 111.57 3nef n ASN 188 Ca -0.10 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.35 3nef n ASN 188 Cb 0.84 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.60 3nef n ASN 188 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29