#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nef n ASP 10 N 0.00 0.00 0.00 4.04 3.85 -1.26 -5.02 116.55 118.16 3nef n ASP 10 Ca 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.08 3nef n ASP 10 Cb 0.00 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.77 3nef n ASP 10 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.20 176.08 3nef n LEU 11 N 0.00 0.00 -3.62 -2.12 7.94 -1.26 -5.17 117.00 112.77 3nef n LEU 11 Ca 0.00 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.84 3nef n LEU 11 Cb 0.00 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 43.89 3nef n LEU 11 CO 0.00 0.00 0.95 -0.89 -1.11 0.00 0.00 177.39 176.34 3nef s THR 12 N 1.26 0.00 0.17 1.96 2.01 -1.26 -5.01 115.64 114.77 3nef s THR 12 Ca 0.00 0.00 -0.12 0.00 0.31 0.00 0.00 61.69 61.88 3nef s THR 12 Cb 0.00 -1.00 0.08 0.00 0.01 0.00 0.00 72.50 71.59 3nef s THR 12 CO 0.00 0.00 1.75 1.56 -0.69 0.00 0.00 174.62 177.24 3nef h GLN 13 N 2.85 0.87 -0.20 4.92 1.08 -2.02 0.43 115.11 123.04 3nef h GLN 13 Ca -0.19 -0.13 -0.00 0.00 -1.45 0.00 0.00 58.65 56.87 3nef h GLN 13 Cb 1.18 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 28.45 3nef h GLN 13 CO 0.22 0.71 0.12 -0.44 -0.95 0.00 0.00 178.83 178.49 3nef h ASP 14 N 0.82 0.24 -0.36 1.46 3.45 -2.00 -2.52 116.42 117.50 3nef h ASP 14 Ca 0.20 -0.06 0.03 0.00 0.43 0.00 0.00 57.03 57.64 3nef h ASP 14 Cb 0.14 -0.06 -0.03 0.00 -0.56 0.00 0.00 39.33 38.81 3nef h ASP 14 CO -0.02 0.23 0.17 -0.33 -1.57 0.00 0.00 179.24 177.71 3nef h GLU 15 N 0.24 0.34 -0.53 3.56 5.08 -1.87 -1.87 114.58 119.53 3nef h GLU 15 Ca 0.07 -0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.53 3nef h GLU 15 Cb 0.03 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 3nef h GLU 15 CO -0.01 0.23 0.37 0.74 -1.00 0.00 0.00 179.01 179.33 3nef h PHE 16 N 0.35 0.23 0.00 4.33 0.04 0.01 -2.54 116.94 119.36 3nef h PHE 16 Ca 0.16 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.93 3nef h PHE 16 Cb 0.08 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.16 3nef h PHE 16 CO -0.11 0.10 -0.02 1.15 -0.60 0.00 0.00 178.31 178.83 3nef h THR 17 N 0.21 1.69 -0.78 -1.55 2.02 -0.91 -3.09 112.91 110.50 3nef h THR 17 Ca 0.25 -2.06 -0.02 0.00 0.77 0.00 0.00 66.41 65.34 3nef h THR 17 Cb 0.70 3.09 -0.04 0.00 -1.74 0.00 0.00 68.15 70.17 3nef h THR 17 CO -0.04 0.54 0.39 1.56 0.37 0.00 0.00 175.52 178.33 3nef h GLN 18 N -0.85 1.10 0.00 6.66 4.20 -1.28 -3.03 115.11 121.91 3nef h GLN 18 Ca -0.00 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.56 3nef h GLN 18 Cb 0.89 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.47 3nef h GLN 18 CO 0.00 0.83 -0.20 -0.07 -0.67 0.00 0.00 178.83 178.73 3nef h LEU 19 N 1.09 0.00 -0.48 1.46 3.38 -1.57 -3.35 115.31 115.83 3nef h LEU 19 Ca 0.27 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.25 3nef h LEU 19 Cb 0.08 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 3nef h LEU 19 CO -0.04 0.03 0.18 -1.28 0.09 0.00 0.00 178.44 177.42 3nef h SER 20 N 0.00 0.19 -0.60 -0.43 0.87 -1.44 -0.89 113.55 111.25 3nef h SER 20 Ca 0.00 0.06 -0.10 0.00 -1.23 0.00 0.00 61.79 60.51 3nef h SER 20 Cb 0.79 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.76 3nef h SER 20 CO 0.00 0.14 -0.02 1.56 -0.53 0.00 0.00 176.83 177.98 3nef h GLN 21 N 0.36 1.08 -0.38 2.24 1.08 -1.77 -1.25 115.11 116.46 3nef h GLN 21 Ca 0.23 -0.35 -0.02 0.00 -1.45 0.00 0.00 58.65 57.05 3nef h GLN 21 Cb 0.23 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 3nef h GLN 21 CO -0.23 1.06 0.15 0.77 -0.95 0.00 0.00 178.83 179.62 3nef h SER 22 N 0.97 0.54 -0.75 1.46 0.02 -1.66 -1.94 113.55 112.19 3nef h SER 22 Ca 0.17 -0.18 0.10 0.00 -0.84 0.00 0.00 61.79 61.04 3nef h SER 22 Cb 0.58 -0.14 -0.08 0.00 0.14 0.00 0.00 62.40 62.91 3nef h SER 22 CO 0.03 0.57 0.38 0.40 -1.14 0.00 0.00 176.83 177.08 3nef h ILE 23 N 0.47 0.83 -0.38 3.27 2.04 -0.89 0.33 117.51 123.19 3nef h ILE 23 Ca 0.13 -0.22 0.04 0.00 1.00 0.00 0.00 64.86 65.82 3nef h ILE 23 Cb 0.20 0.15 -0.04 0.00 -0.74 0.00 0.00 36.82 36.39 3nef h ILE 23 CO -0.01 0.12 0.13 0.00 0.00 0.00 0.00 178.15 178.39 3nef h ALA 24 N 1.46 0.44 0.16 1.87 0.00 -0.69 -0.42 119.26 122.08 3nef h ALA 24 Ca 0.38 0.05 -0.30 0.00 0.00 0.00 0.00 54.91 55.03 3nef h ALA 24 Cb 0.41 0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.25 3nef h ALA 24 CO -0.28 -0.26 -1.30 1.49 0.00 0.00 0.00 179.25 178.90 3nef h GLU 25 N 0.29 0.50 0.00 0.00 4.81 -0.44 -3.39 114.58 116.35 3nef h GLU 25 Ca 0.17 -0.75 -0.03 0.00 -0.13 0.00 0.00 59.36 58.62 3nef h GLU 25 Cb 0.15 0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 3nef h GLU 25 CO -0.18 1.34 -1.35 1.19 -0.73 0.00 0.00 179.01 179.29 3nef n PHE 26 N -3.70 0.00 -1.54 0.92 3.72 0.10 -4.77 117.46 112.19 3nef n PHE 26 Ca -0.13 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.33 3nef n PHE 26 Cb 1.02 -0.20 0.11 0.00 -0.94 0.00 0.00 39.48 39.47 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 -1.87 0.00 -5.19 1.38 8.25 -0.20 -4.75 115.22 112.84 3nef n HIS 27 Ca -0.04 -0.83 -0.32 0.00 -0.26 0.00 0.00 57.72 56.27 3nef n HIS 27 Cb 0.32 -0.15 -0.16 0.00 1.12 0.00 0.00 29.99 31.13 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 -2.02 2.29 0.03 1.59 2.01 -0.99 -4.90 115.64 113.66 3nef s THR 28 Ca 0.26 -1.00 -0.00 0.00 0.31 0.00 0.00 61.69 61.27 3nef s THR 28 Cb 0.25 -1.84 -0.03 0.00 0.01 0.00 0.00 72.50 70.89 3nef s THR 28 CO -0.02 0.58 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.14 3nef s TYR 29 N -0.41 0.39 0.32 4.92 2.02 -1.26 -5.04 117.35 118.29 3nef s TYR 29 Ca 0.04 -0.69 -0.29 0.00 -0.37 0.00 0.00 57.07 55.77 3nef s TYR 29 Cb -0.12 -0.27 -0.10 0.00 -0.40 0.00 0.00 41.96 41.07 3nef s TYR 29 CO 0.01 -0.23 1.27 -1.14 -1.57 0.00 0.00 175.55 173.89 3nef s GLN 30 N -2.22 4.41 0.07 -0.62 0.74 -1.26 -4.97 119.66 115.81 3nef s GLN 30 Ca -0.08 2.14 -0.05 0.00 0.05 0.00 0.00 55.36 57.41 3nef s GLN 30 Cb -0.05 -3.09 -0.29 0.00 1.10 0.00 0.00 33.01 30.68 3nef s GLN 30 CO -0.03 -0.11 1.13 -0.07 -0.55 0.00 0.00 175.29 175.65 3nef h LEU 31 N 3.46 0.46 0.00 3.68 3.38 -2.00 -3.47 115.31 120.82 3nef h LEU 31 Ca -0.48 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 56.99 3nef h LEU 31 Cb 1.22 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3nef h LEU 31 CO 0.66 1.39 0.00 0.61 0.09 0.00 0.00 178.44 181.18 3nef n GLY 32 N 1.55 0.55 2.64 0.83 0.00 -1.26 -4.71 105.19 104.79 3nef n GLY 32 Ca -0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 -5.61 -0.15 1.61 3.02 -1.26 -1.66 115.26 111.21 3nef n ASN 33 Ca 0.00 -0.09 -0.02 0.00 -0.03 0.00 0.00 54.58 54.44 3nef n ASN 33 Cb 0.00 -4.63 -0.01 0.00 -0.61 0.00 0.00 39.78 34.53 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 -1.15 0.54 3.45 7.41 0.00 -1.26 -5.01 105.19 109.17 3nef n GLY 34 Ca -0.18 -0.80 -0.22 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.84 1.63 0.04 1.61 0.52 -0.67 -0.87 118.95 119.37 3nef s ARG 35 Ca 0.00 -1.87 -0.12 0.00 -0.52 0.00 0.00 55.73 53.22 3nef s ARG 35 Cb 0.00 -1.06 0.01 0.00 0.52 0.00 0.00 34.95 34.42 3nef s ARG 35 CO 0.00 -0.07 0.25 0.00 0.02 0.00 0.00 175.30 175.50 3nef s SER 37 N -2.12 0.04 0.01 0.00 1.04 -1.26 -0.95 113.70 110.46 3nef s SER 37 Ca -0.04 -1.04 -0.28 0.00 0.48 0.00 0.00 55.95 55.06 3nef s SER 37 Cb -0.01 0.47 0.09 0.00 0.10 0.00 0.00 66.02 66.67 3nef s SER 37 CO -0.04 -0.96 0.78 -0.55 0.98 0.00 0.00 173.24 173.46 3nef s SER 38 N -3.04 -0.48 -0.10 7.02 0.15 -1.05 -4.98 113.70 111.22 3nef s SER 38 Ca 0.25 0.21 0.02 0.00 0.70 0.00 0.00 55.95 57.14 3nef s SER 38 Cb 0.03 0.46 0.01 0.00 -1.71 0.00 0.00 66.02 64.82 3nef s SER 38 CO 0.06 -0.67 -0.16 -0.22 1.20 0.00 0.00 173.24 173.46 3nef s LEU 39 N -2.06 1.76 0.00 3.45 2.96 -1.26 -2.54 118.68 120.99 3nef s LEU 39 Ca -0.01 -0.43 0.08 0.00 -0.22 0.00 0.00 54.13 53.56 3nef s LEU 39 Cb -0.01 -1.10 -0.02 0.00 0.50 0.00 0.00 46.19 45.56 3nef s LEU 39 CO -0.04 0.03 -0.25 -0.76 -1.32 0.00 0.00 176.35 174.01 3nef s LEU 40 N 0.87 2.09 -0.01 -0.68 1.02 1.00 -4.97 118.68 117.99 3nef s LEU 40 Ca -0.09 -0.50 0.07 0.00 0.02 0.00 0.00 54.13 53.64 3nef s LEU 40 Cb -0.15 -1.26 -0.02 0.00 0.02 0.00 0.00 46.19 44.78 3nef s LEU 40 CO 0.00 0.28 -0.24 0.00 0.02 0.00 0.00 176.35 176.42 3nef s ALA 41 N -0.66 1.98 -0.06 4.21 0.00 -1.26 -0.33 121.76 125.63 3nef s ALA 41 Ca 0.10 -1.04 -0.01 0.00 0.00 0.00 0.00 51.96 51.02 3nef s ALA 41 Cb -0.10 -0.50 0.03 0.00 0.00 0.00 0.00 23.12 22.55 3nef s ALA 41 CO 0.00 0.48 -0.01 -1.14 0.00 0.00 0.00 175.76 175.10 3nef s GLN 42 N -0.61 0.62 0.25 0.00 2.00 0.18 -4.98 119.66 117.12 3nef s GLN 42 Ca 0.09 0.07 -0.29 0.00 -2.00 0.00 0.00 55.36 53.23 3nef s GLN 42 Cb -0.09 -0.91 -0.09 0.00 0.80 0.00 0.00 33.01 32.72 3nef s GLN 42 CO -0.01 -0.25 0.93 0.50 -0.50 0.00 0.00 175.29 175.97 3nef s ARG 43 N 1.71 4.81 -0.07 1.67 3.52 -1.26 -0.45 118.95 128.88 3nef s ARG 43 Ca 0.01 1.45 -0.01 0.00 -0.13 0.00 0.00 55.73 57.05 3nef s ARG 43 Cb -0.13 -3.21 0.03 0.00 -1.56 0.00 0.00 34.95 30.08 3nef s ARG 43 CO -0.04 0.49 -0.01 0.42 -0.81 0.00 0.00 175.30 175.34 3nef s ILE 44 N -1.24 0.43 -1.27 4.11 1.01 0.13 -4.94 121.20 119.43 3nef s ILE 44 Ca 0.42 0.05 -0.11 0.00 0.00 0.00 0.00 60.65 61.01 3nef s ILE 44 Cb -0.25 -0.55 0.16 0.00 0.01 0.00 0.00 42.46 41.83 3nef s ILE 44 CO 0.31 0.25 1.76 1.41 0.00 0.00 0.00 174.94 178.67 3nef n HIS 45 N 4.86 3.66 -3.73 3.97 8.25 -1.26 -0.50 115.22 130.46 3nef n HIS 45 Ca -0.12 -2.97 -0.09 0.00 -0.26 0.00 0.00 57.72 54.28 3nef n HIS 45 Cb 0.50 -2.09 -0.02 0.00 1.12 0.00 0.00 29.99 29.50 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 1.08 -1.24 0.36 -1.41 0.00 -1.26 -4.76 121.76 114.53 3nef s ALA 46 Ca 0.42 -0.10 -0.27 0.00 0.00 0.00 0.00 51.96 52.00 3nef s ALA 46 Cb 0.06 0.87 -0.09 0.00 0.00 0.00 0.00 23.12 23.96 3nef s ALA 46 CO 0.00 -0.92 1.22 -2.14 0.00 0.00 0.00 175.76 173.92 3nef s PRO 47 N -3.87 4.25 0.50 0.00 0.02 -1.26 -3.34 135.00 131.29 3nef s PRO 47 Ca 0.08 2.01 0.16 0.00 0.02 0.00 0.00 61.00 63.28 3nef s PRO 47 Cb -0.04 -2.91 1.20 0.00 0.02 0.00 0.00 34.50 32.77 3nef s PRO 47 CO 0.00 -0.21 2.10 -1.00 -0.33 0.00 0.00 177.00 177.56 3nef h PRO 48 N 3.11 0.00 -0.53 5.54 0.13 -1.89 -0.68 132.00 137.67 3nef h PRO 48 Ca -0.49 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 3nef h PRO 48 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 3nef h PRO 48 CO 0.64 0.07 0.25 1.05 -0.23 0.00 0.00 178.00 179.77 3nef h GLU 49 N 0.00 0.77 -0.30 0.86 9.09 -1.98 0.23 114.58 123.24 3nef h GLU 49 Ca -0.00 -0.12 0.00 0.00 0.05 0.00 0.00 59.36 59.29 3nef h GLU 49 Cb 0.12 -0.14 -0.02 0.00 -1.65 0.00 0.00 28.75 27.07 3nef h GLU 49 CO 0.01 0.65 0.20 1.15 0.05 0.00 0.00 179.01 181.07 3nef h THR 50 N 0.71 1.08 0.17 -1.06 2.02 -1.53 -1.37 112.91 112.93 3nef h THR 50 Ca 0.18 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 3nef h THR 50 Cb 0.14 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 3nef h THR 50 CO -0.02 0.07 -0.08 0.58 0.37 0.00 0.00 175.52 176.44 3nef h VAL 51 N 0.41 0.90 -0.19 3.16 2.07 -1.07 -3.06 116.25 118.47 3nef h VAL 51 Ca 0.11 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.30 3nef h VAL 51 Cb -0.05 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 3nef h VAL 51 CO -0.03 0.08 0.12 -0.25 0.02 0.00 0.00 177.57 177.52 3nef h TRP 52 N -0.39 0.22 0.00 1.57 2.91 -0.48 -1.08 115.95 118.69 3nef h TRP 52 Ca -0.02 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 59.99 3nef h TRP 52 Cb 0.31 -0.07 -0.00 0.00 -0.51 0.00 0.00 29.16 28.88 3nef h TRP 52 CO -0.02 0.14 -0.06 0.66 -1.03 0.00 0.00 178.44 178.13 3nef h SER 53 N 0.24 0.00 0.14 2.65 4.64 -1.14 0.15 113.55 120.22 3nef h SER 53 Ca 0.07 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.03 3nef h SER 53 Cb -0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.06 3nef h SER 53 CO -0.01 0.06 -2.02 0.52 -0.87 0.00 0.00 176.83 174.50 3nef n VAL 54 N -3.38 1.75 0.08 0.95 0.31 -0.50 -4.20 118.33 113.34 3nef n VAL 54 Ca -0.02 -0.66 -0.03 0.00 -0.01 0.00 0.00 64.34 63.62 3nef n VAL 54 Cb 0.20 -1.67 0.20 0.00 -0.91 0.00 0.00 33.84 31.65 3nef n VAL 54 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3nef h VAL 55 N 0.06 1.31 0.00 2.52 2.07 -0.79 -2.88 116.25 118.54 3nef h VAL 55 Ca -0.43 -1.57 0.00 0.00 0.82 0.00 0.00 66.70 65.52 3nef h VAL 55 Cb 2.03 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 33.48 3nef h VAL 55 CO 0.08 0.47 0.00 -2.11 0.02 0.00 0.00 177.57 176.03 3nef n ARG 56 N -4.01 0.17 -1.91 1.57 1.85 0.47 -4.55 116.66 110.26 3nef n ARG 56 Ca -0.02 0.02 -0.42 0.00 -1.00 0.00 0.00 57.85 56.44 3nef n ARG 56 Cb 0.50 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.41 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 -1.41 2.94 -0.14 2.89 5.12 -1.09 -4.76 116.66 120.20 3nef n ARG 57 Ca 0.10 -2.75 0.19 0.00 -1.93 0.00 0.00 57.85 53.45 3nef n ARG 57 Cb 0.28 -3.32 0.58 0.00 -1.16 0.00 0.00 32.46 28.84 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 6.29 0.31 0.00 -1.55 3.57 -1.88 -0.01 116.94 123.67 3nef h PHE 58 Ca 0.54 0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.05 3nef h PHE 58 Cb 0.68 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.33 3nef h PHE 58 CO 1.45 0.10 0.00 -0.40 -2.23 0.00 0.00 178.31 177.23 3nef n ASP 59 N -4.43 0.25 -3.17 0.41 3.85 -1.26 -4.17 116.55 108.03 3nef n ASP 59 Ca 0.15 0.53 -0.22 0.00 -0.71 0.00 0.00 54.79 54.53 3nef n ASP 59 Cb 0.65 -0.59 -0.05 0.00 -1.35 0.00 0.00 41.12 39.77 3nef n ASP 59 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3nef n ARG 60 N -1.74 1.50 0.26 0.11 5.12 -0.02 -4.83 116.66 117.06 3nef n ARG 60 Ca 0.06 -3.76 0.10 0.00 -1.93 0.00 0.00 57.85 52.32 3nef n ARG 60 Cb 0.33 -1.73 0.68 0.00 -1.16 0.00 0.00 32.46 30.58 3nef n ARG 60 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3nef h PRO 61 N 3.41 0.00 0.00 5.56 0.13 -1.72 -3.02 132.00 136.36 3nef h PRO 61 Ca 0.11 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3nef h PRO 61 Cb 0.82 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.95 3nef h PRO 61 CO 0.59 0.12 -0.00 1.96 -0.23 0.00 0.00 178.00 180.43 3nef h GLN 62 N 0.00 0.00 -1.05 0.86 7.50 -1.92 0.77 115.11 121.27 3nef h GLN 62 Ca -0.00 0.00 0.28 0.00 0.50 0.00 0.00 58.65 59.42 3nef h GLN 62 Cb 0.27 0.00 -0.08 0.00 0.05 0.00 0.00 27.48 27.71 3nef h GLN 62 CO 0.02 0.00 0.69 0.82 -1.50 0.00 0.00 178.83 178.86 3nef h ILE 63 N 0.00 0.51 0.00 2.54 2.04 -1.94 -3.31 117.51 117.35 3nef h ILE 63 Ca -0.00 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.75 3nef h ILE 63 Cb 0.11 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.35 3nef h ILE 63 CO 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 178.15 178.20 3nef n TYR 64 N -4.55 0.00 -3.30 1.37 0.18 -0.97 -4.92 117.16 104.97 3nef n TYR 64 Ca 0.25 0.00 -0.38 0.00 1.88 0.00 0.00 57.90 59.65 3nef n TYR 64 Cb 0.93 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.83 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 -0.06 4.16 0.39 -3.48 1.02 0.23 -4.33 119.74 117.67 3nef s LYS 65 Ca 0.00 0.69 -0.03 0.00 0.02 0.00 0.00 55.97 56.65 3nef s LYS 65 Cb 0.00 -3.21 -0.04 0.00 -0.52 0.00 0.00 37.83 34.06 3nef s LYS 65 CO 0.00 0.63 0.65 -1.01 -0.92 0.00 0.00 175.35 174.70 3nef s HIS 66 N -1.13 3.52 -0.85 3.18 3.76 -1.26 -4.40 115.29 118.10 3nef s HIS 66 Ca 0.29 0.62 0.00 0.00 -0.15 0.00 0.00 55.06 55.82 3nef s HIS 66 Cb -0.19 -2.12 0.00 0.00 1.11 0.00 0.00 32.58 31.38 3nef s HIS 66 CO 0.18 -0.03 0.00 1.19 -0.85 0.00 0.00 174.74 175.23 3nef n PHE 67 N -1.77 -0.11 -3.72 1.40 3.72 -1.26 -4.97 117.46 110.75 3nef n PHE 67 Ca -0.02 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.00 3nef n PHE 67 Cb 0.55 -1.85 -0.12 0.00 -0.94 0.00 0.00 39.48 37.12 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 -2.34 4.06 -0.00 4.37 1.01 -1.26 0.01 121.20 127.04 3nef s ILE 68 Ca 0.00 -0.86 -0.23 0.00 0.00 0.00 0.00 60.65 59.56 3nef s ILE 68 Cb 0.00 -3.20 -0.13 0.00 0.01 0.00 0.00 42.46 39.14 3nef s ILE 68 CO 0.00 -0.07 0.97 0.50 0.00 0.00 0.00 174.94 176.33 3nef h LYS 69 N 8.28 -0.79 -3.89 2.79 3.64 -0.78 -3.47 116.57 122.35 3nef h LYS 69 Ca -0.27 0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.05 3nef h LYS 69 Cb 1.11 0.18 -0.12 0.00 -0.41 0.00 0.00 32.23 32.99 3nef h LYS 69 CO 0.62 -0.53 -0.30 -1.54 -2.27 0.00 0.00 179.45 175.43 3nef s SER 70 N -4.50 0.01 -0.22 4.20 1.04 -1.16 -5.00 113.70 108.08 3nef s SER 70 Ca -0.12 -0.93 -0.04 0.00 0.48 0.00 0.00 55.95 55.34 3nef s SER 70 Cb 0.01 0.47 0.09 0.00 0.10 0.00 0.00 66.02 66.69 3nef s SER 70 CO 0.36 -0.95 0.20 0.00 0.98 0.00 0.00 173.24 173.83 3nef s ASN 72 N 2.27 4.92 0.33 0.00 2.20 -0.80 -4.90 114.94 118.96 3nef s ASN 72 Ca 0.07 -0.13 0.03 0.00 -0.94 0.00 0.00 52.86 51.89 3nef s ASN 72 Cb -0.16 -1.19 -0.06 0.00 -2.00 0.00 0.00 41.25 37.85 3nef s ASN 72 CO -0.18 0.23 0.07 0.68 -2.94 0.00 0.00 177.10 174.97 3nef s VAL 73 N -1.16 1.07 0.75 3.54 -7.23 -1.26 -1.52 120.40 114.60 3nef s VAL 73 Ca 0.21 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.23 3nef s VAL 73 Cb -0.11 -2.74 0.03 0.00 0.56 0.00 0.00 36.38 34.12 3nef s VAL 73 CO 0.13 0.00 1.08 -1.20 -0.31 0.00 0.00 175.10 174.80 3nef n SER 74 N -0.72 0.81 -0.22 4.85 7.64 -1.26 -4.88 113.62 119.85 3nef n SER 74 Ca -0.02 0.65 0.01 0.00 1.01 0.00 0.00 58.87 60.51 3nef n SER 74 Cb 0.66 -1.46 0.25 0.00 -1.01 0.00 0.00 64.21 62.65 3nef n SER 74 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 3nef h GLU 75 N -0.45 0.98 -0.46 1.43 4.39 -2.03 -1.59 114.58 116.84 3nef h GLU 75 Ca -0.47 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.17 3nef h GLU 75 Cb 1.32 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 3nef h GLU 75 CO 0.47 0.65 0.00 -0.25 -1.16 0.00 0.00 179.01 178.72 3nef n ASP 76 N -4.42 1.46 -4.66 1.42 8.00 -1.26 -4.95 116.55 112.13 3nef n ASP 76 Ca 0.08 -2.09 -0.48 0.00 0.71 0.00 0.00 54.79 53.01 3nef n ASP 76 Cb 0.04 -0.29 -0.05 0.00 -0.02 0.00 0.00 41.12 40.80 3nef n ASP 76 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3nef n PHE 77 N 0.09 2.16 -3.95 1.24 7.35 -0.60 -4.98 117.46 118.76 3nef n PHE 77 Ca 0.06 0.28 -0.25 0.00 -0.76 0.00 0.00 57.45 56.78 3nef n PHE 77 Cb 0.29 -2.53 -0.17 0.00 0.35 0.00 0.00 39.48 37.41 3nef n PHE 77 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 3nef s GLU 78 N 1.65 1.29 -0.84 -4.13 2.12 -1.26 -5.01 118.70 112.52 3nef s GLU 78 Ca 0.84 -0.18 -0.25 0.00 0.36 0.00 0.00 54.97 55.73 3nef s GLU 78 Cb -0.74 -1.39 -0.09 0.00 0.26 0.00 0.00 34.13 32.17 3nef s GLU 78 CO 0.43 -0.24 2.17 -1.64 -0.54 0.00 0.00 175.26 175.45 3nef s MET 79 N 1.62 2.09 0.09 4.30 -1.94 -1.26 -4.74 119.30 119.46 3nef s MET 79 Ca 0.02 0.12 -0.03 0.00 -1.71 0.00 0.00 55.69 54.10 3nef s MET 79 Cb -0.13 -4.91 -0.03 0.00 2.01 0.00 0.00 34.83 31.77 3nef s MET 79 CO -0.06 -3.88 0.05 -0.98 -0.01 0.00 0.00 175.02 170.13 3nef s ARG 80 N 7.93 0.77 0.17 2.03 1.70 -1.26 -5.07 118.95 125.22 3nef s ARG 80 Ca 0.81 -1.23 -0.33 0.00 -0.47 0.00 0.00 55.73 54.50 3nef s ARG 80 Cb -0.10 0.25 -0.14 0.00 -0.57 0.00 0.00 34.95 34.39 3nef s ARG 80 CO 0.04 -0.20 1.41 0.28 -1.08 0.00 0.00 175.30 175.76 3nef n VAL 81 N 0.01 0.45 0.00 4.99 0.31 -1.26 -1.35 118.33 121.47 3nef n VAL 81 Ca -0.11 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 3nef n VAL 81 Cb 0.62 -1.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.27 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 2.62 2.85 3.67 2.92 0.00 -0.20 -5.01 105.19 112.04 3nef n GLY 82 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.72 0.94 -0.05 0.00 -4.23 -1.26 -1.39 115.64 106.93 3nef s THR 84 Ca 0.65 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.91 3nef s THR 84 Cb -0.21 -2.48 0.05 0.00 1.34 0.00 0.00 72.50 71.20 3nef s THR 84 CO 0.59 0.00 0.56 0.00 -0.54 0.00 0.00 174.62 175.22 3nef s ARG 85 N -3.79 0.92 -0.32 3.99 1.70 -0.15 -4.76 118.95 116.54 3nef s ARG 85 Ca 0.25 0.14 -0.06 0.00 -0.47 0.00 0.00 55.73 55.59 3nef s ARG 85 Cb 0.05 0.43 0.03 0.00 -0.57 0.00 0.00 34.95 34.88 3nef s ARG 85 CO 0.13 -0.27 0.09 -0.51 -1.08 0.00 0.00 175.30 173.66 3nef s ASP 86 N -1.16 5.19 -0.23 -2.89 1.01 -0.57 -1.05 116.67 116.97 3nef s ASP 86 Ca -0.11 -0.94 -0.09 0.00 0.71 0.00 0.00 52.55 52.12 3nef s ASP 86 Cb -0.02 -1.87 -0.04 0.00 1.01 0.00 0.00 42.92 42.00 3nef s ASP 86 CO 0.08 -0.26 0.11 0.68 0.21 0.00 0.00 175.17 175.99 3nef s VAL 87 N 1.44 4.92 -0.36 -1.27 -7.23 -0.60 -1.90 120.40 115.40 3nef s VAL 87 Ca 0.00 0.03 -0.24 0.00 -1.81 0.00 0.00 61.98 59.96 3nef s VAL 87 Cb -0.18 -3.28 0.01 0.00 0.56 0.00 0.00 36.38 33.49 3nef s VAL 87 CO 0.02 0.37 0.83 0.20 -0.31 0.00 0.00 175.10 176.21 3nef s ASN 88 N 1.06 6.60 -0.06 4.85 -0.87 0.58 -0.91 114.94 126.19 3nef s ASN 88 Ca 0.06 0.45 -0.14 0.00 -1.57 0.00 0.00 52.86 51.66 3nef s ASN 88 Cb -0.14 -2.42 -0.05 0.00 -0.02 0.00 0.00 41.25 38.62 3nef s ASN 88 CO 0.04 -0.77 0.36 -0.69 -2.57 0.00 0.00 177.10 173.48 3nef s VAL 89 N 3.21 5.16 -0.61 1.60 1.01 -0.67 -0.05 120.40 130.06 3nef s VAL 89 Ca 0.34 0.72 -0.27 0.00 0.00 0.00 0.00 61.98 62.77 3nef s VAL 89 Cb -0.13 -3.67 0.03 0.00 0.00 0.00 0.00 36.38 32.61 3nef s VAL 89 CO 0.17 0.51 1.14 -0.63 0.00 0.00 0.00 175.10 176.29 3nef s ILE 90 N -0.51 4.06 0.00 2.22 1.01 0.10 -4.69 121.20 123.39 3nef s ILE 90 Ca 0.21 0.61 0.00 0.00 0.00 0.00 0.00 60.65 61.47 3nef s ILE 90 Cb -0.15 -4.72 0.00 0.00 0.01 0.00 0.00 42.46 37.60 3nef s ILE 90 CO 0.10 -1.40 0.00 -1.54 0.00 0.00 0.00 174.94 172.10 3nef n SER 91 N 8.37 0.59 0.00 3.58 3.41 -1.26 -4.84 113.62 123.47 3nef n SER 91 Ca 0.05 -0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 3nef n SER 91 Cb 0.48 0.53 0.00 0.00 -0.26 0.00 0.00 64.21 64.96 3nef n SER 91 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3nef n GLY 92 N 0.71 0.45 3.43 5.00 0.00 -1.26 -4.98 105.19 108.54 3nef n GLY 92 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 2.86 0.00 0.99 1.43 -1.26 -5.07 118.68 117.63 3nef s LEU 93 Ca 0.00 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 3nef s LEU 93 Cb 0.00 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.58 3nef s LEU 93 CO 0.00 0.22 0.00 -2.65 0.23 0.00 0.00 176.35 174.15 3nef n PRO 94 N 3.17 0.00 -0.78 1.29 -0.02 -1.26 -4.50 135.00 132.90 3nef n PRO 94 Ca -0.18 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.19 3nef n PRO 94 Cb 0.53 0.00 0.08 0.00 -0.02 0.00 0.00 33.50 34.08 3nef n PRO 94 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3nef n ALA 95 N -0.34 -0.54 0.00 3.55 0.00 -1.26 -4.93 120.51 116.99 3nef n ALA 95 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.76 3nef n ALA 95 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.43 3nef n ALA 95 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3nef n ASN 96 N -3.31 0.00 -4.37 0.00 2.85 -1.26 -4.99 115.26 104.19 3nef n ASN 96 Ca 0.06 0.00 -0.43 0.00 -0.11 0.00 0.00 54.58 54.11 3nef n ASN 96 Cb 0.22 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 41.15 3nef n ASN 96 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 3nef s THR 97 N 0.00 4.91 -0.53 -0.44 2.01 -1.26 -1.67 115.64 118.66 3nef s THR 97 Ca 0.00 -1.07 -0.28 0.00 0.31 0.00 0.00 61.69 60.64 3nef s THR 97 Cb 0.00 -3.90 0.03 0.00 0.01 0.00 0.00 72.50 68.64 3nef s THR 97 CO 0.00 -0.49 1.14 -0.55 -0.69 0.00 0.00 174.62 174.03 3nef s SER 98 N 2.24 6.52 -0.19 3.53 0.15 -0.09 -4.26 113.70 121.61 3nef s SER 98 Ca 0.04 0.23 -0.27 0.00 0.70 0.00 0.00 55.95 56.65 3nef s SER 98 Cb -0.23 -2.54 -0.00 0.00 -1.71 0.00 0.00 66.02 61.54 3nef s SER 98 CO 0.06 -1.34 0.93 -0.60 1.20 0.00 0.00 173.24 173.49 3nef s ARG 99 N 4.60 4.29 0.06 5.44 3.52 -0.62 -1.55 118.95 134.69 3nef s ARG 99 Ca 0.44 1.18 0.08 0.00 -0.13 0.00 0.00 55.73 57.30 3nef s ARG 99 Cb -0.08 -3.60 -0.03 0.00 -1.56 0.00 0.00 34.95 29.68 3nef s ARG 99 CO 0.28 -0.46 -0.21 -1.21 -0.81 0.00 0.00 175.30 172.89 3nef s GLU 100 N 2.59 1.33 -0.05 5.12 2.02 -0.21 -0.69 118.70 128.80 3nef s GLU 100 Ca 0.41 -1.03 0.04 0.00 0.02 0.00 0.00 54.97 54.41 3nef s GLU 100 Cb -0.16 -1.51 0.00 0.00 0.10 0.00 0.00 34.13 32.56 3nef s GLU 100 CO 0.10 0.37 -0.16 0.50 0.02 0.00 0.00 175.26 176.10 3nef s ARG 101 N -1.43 1.78 -0.08 1.61 3.52 0.35 -0.97 118.95 123.72 3nef s ARG 101 Ca 0.08 -0.55 -0.30 0.00 -0.13 0.00 0.00 55.73 54.83 3nef s ARG 101 Cb -0.09 -1.51 -0.03 0.00 -1.56 0.00 0.00 34.95 31.76 3nef s ARG 101 CO 0.03 0.18 1.23 -1.17 -0.81 0.00 0.00 175.30 174.76 3nef s LEU 102 N 0.22 4.26 -0.21 -0.88 2.96 -0.48 -1.38 118.68 123.17 3nef s LEU 102 Ca -0.07 1.81 0.11 0.00 -0.22 0.00 0.00 54.13 55.75 3nef s LEU 102 Cb -0.13 -3.55 -0.22 0.00 0.50 0.00 0.00 46.19 42.79 3nef s LEU 102 CO 0.03 -0.64 0.02 0.47 -1.32 0.00 0.00 176.35 174.91 3nef n ASP 103 N 5.60 0.87 -3.97 3.68 8.00 0.68 -1.03 116.55 130.37 3nef n ASP 103 Ca 0.12 -0.01 -0.09 0.00 0.71 0.00 0.00 54.79 55.52 3nef n ASP 103 Cb 0.46 0.33 -0.10 0.00 -0.02 0.00 0.00 41.12 41.79 3nef n ASP 103 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3nef s LEU 104 N -5.97 2.10 -0.30 0.64 1.43 -1.15 -4.83 118.68 110.60 3nef s LEU 104 Ca -0.19 -0.55 -0.03 0.00 -1.03 0.00 0.00 54.13 52.33 3nef s LEU 104 Cb 0.07 0.29 0.19 0.00 0.03 0.00 0.00 46.19 46.77 3nef s LEU 104 CO 0.75 -0.40 0.71 -0.22 0.23 0.00 0.00 176.35 177.42 3nef s LEU 105 N -1.84 -1.19 -0.23 1.79 0.20 -1.24 -2.96 118.68 113.21 3nef s LEU 105 Ca -0.10 0.62 -0.03 0.00 0.69 0.00 0.00 54.13 55.32 3nef s LEU 105 Cb -0.05 1.95 0.07 0.00 -0.43 0.00 0.00 46.19 47.73 3nef s LEU 105 CO -0.03 -0.22 0.07 -0.62 -0.29 0.00 0.00 176.35 175.26 3nef s ASP 106 N 2.88 3.21 0.42 3.68 3.68 -0.42 -5.00 116.67 125.12 3nef s ASP 106 Ca 0.15 -1.05 0.23 0.00 2.13 0.00 0.00 52.55 54.01 3nef s ASP 106 Cb -0.13 -0.60 0.63 0.00 -1.45 0.00 0.00 42.92 41.38 3nef s ASP 106 CO -0.20 -0.35 1.70 0.44 0.13 0.00 0.00 175.17 176.89 3nef h ASP 107 N 8.24 0.00 -0.01 -0.34 3.45 -1.97 0.27 116.42 126.07 3nef h ASP 107 Ca -0.16 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.29 3nef h ASP 107 Cb 1.08 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.85 3nef h ASP 107 CO 0.38 0.20 -0.02 0.44 -1.57 0.00 0.00 179.24 178.66 3nef h ASP 108 N 0.00 0.03 1.39 6.45 3.32 -1.97 -3.31 116.42 122.32 3nef h ASP 108 Ca -0.00 -0.60 0.00 0.00 0.02 0.00 0.00 57.03 56.45 3nef h ASP 108 Cb 0.93 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.47 3nef h ASP 108 CO 0.03 0.63 -0.14 0.03 -1.72 0.00 0.00 179.24 178.07 3nef h ARG 109 N -0.56 0.00 -5.27 3.56 3.08 -1.96 -3.48 114.38 109.74 3nef h ARG 109 Ca -0.00 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.82 3nef h ARG 109 Cb 0.62 0.00 0.18 0.00 0.08 0.00 0.00 29.97 30.86 3nef h ARG 109 CO 0.00 0.00 -0.79 0.54 -1.07 0.00 0.00 179.97 178.65 3nef n ARG 110 N -2.29 -2.23 -4.44 0.04 1.74 0.89 -4.61 116.66 105.75 3nef n ARG 110 Ca 0.05 0.81 -0.23 0.00 -0.77 0.00 0.00 57.85 57.71 3nef n ARG 110 Cb 0.44 -5.53 -0.16 0.00 -1.02 0.00 0.00 32.46 26.19 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 -3.36 0.92 0.22 1.55 1.01 -0.79 -1.67 120.40 118.28 3nef s VAL 111 Ca 0.41 -0.35 -0.00 0.00 0.00 0.00 0.00 61.98 62.04 3nef s VAL 111 Cb -0.05 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 3nef s VAL 111 CO 0.69 0.31 0.12 0.28 0.00 0.00 0.00 175.10 176.49 3nef s THR 112 N 0.74 0.22 -0.15 3.92 -1.32 -0.63 -1.29 115.64 117.13 3nef s THR 112 Ca -0.14 -2.00 -0.31 0.00 -1.21 0.00 0.00 61.69 58.03 3nef s THR 112 Cb -0.15 -2.55 0.13 0.00 -1.51 0.00 0.00 72.50 68.42 3nef s THR 112 CO 0.03 -0.01 1.08 -0.83 -2.21 0.00 0.00 174.62 172.68 3nef s GLY 113 N -3.22 -0.28 0.17 6.08 0.00 -1.16 -0.64 107.32 108.28 3nef s GLY 113 Ca 0.38 1.76 -0.14 0.00 0.00 0.00 0.00 44.72 46.73 3nef s GLY 113 CO 0.13 0.72 0.40 -0.11 0.00 0.00 0.00 173.10 174.23 3nef s PHE 114 N -1.99 0.08 0.04 1.90 -0.12 -0.64 -0.23 117.98 117.03 3nef s PHE 114 Ca 0.05 -0.44 0.05 0.00 -0.05 0.00 0.00 56.93 56.54 3nef s PHE 114 Cb -0.01 0.18 -0.02 0.00 -0.63 0.00 0.00 43.02 42.54 3nef s PHE 114 CO -0.04 -0.79 -0.15 -1.12 -0.05 0.00 0.00 175.22 173.07 3nef s SER 115 N -2.90 1.75 -0.43 1.98 0.01 -0.48 -1.31 113.70 112.32 3nef s SER 115 Ca 0.11 -0.47 -0.20 0.00 1.31 0.00 0.00 55.95 56.70 3nef s SER 115 Cb 0.01 -0.11 0.02 0.00 0.21 0.00 0.00 66.02 66.15 3nef s SER 115 CO -0.03 0.04 0.63 -0.63 0.41 0.00 0.00 173.24 173.66 3nef s ILE 116 N -0.86 4.85 -2.50 1.44 1.01 -0.42 -0.50 121.20 124.22 3nef s ILE 116 Ca 0.02 0.12 0.24 0.00 0.00 0.00 0.00 60.65 61.04 3nef s ILE 116 Cb -0.08 -4.18 0.45 0.00 0.01 0.00 0.00 42.46 38.65 3nef s ILE 116 CO 0.01 -0.56 1.56 0.35 0.00 0.00 0.00 174.94 176.30 3nef n THR 117 N 5.80 0.13 0.00 2.92 -2.24 0.13 -4.23 114.28 116.80 3nef n THR 117 Ca -0.02 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 3nef n THR 117 Cb 0.48 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 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 1.23 1.78 0.00 3.38 0.00 -1.23 -4.98 105.19 105.37 3nef n GLY 118 Ca 0.17 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.69 1.95 3.64 -0.02 0.00 -1.26 -1.58 105.19 107.23 3nef n GLY 119 Ca 0.00 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.97 3nef n GLY 119 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3nef s GLU 120 N 0.00 4.01 0.19 1.61 -1.05 -1.26 -4.83 118.70 117.37 3nef s GLU 120 Ca 0.00 1.53 0.22 0.00 -0.15 0.00 0.00 54.97 56.57 3nef s GLU 120 Cb 0.00 -3.88 -0.01 0.00 -0.44 0.00 0.00 34.13 29.80 3nef s GLU 120 CO 0.00 -1.00 1.02 0.45 0.95 0.00 0.00 175.26 176.68 3nef h HIS 121 N 9.24 0.00 -0.02 4.83 3.86 -2.00 -3.27 115.15 127.79 3nef h HIS 121 Ca -0.29 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.92 3nef h HIS 121 Cb 1.12 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.59 3nef h HIS 121 CO 0.86 0.08 0.00 2.89 0.86 0.00 0.00 177.93 182.62 3nef n ARG 122 N -2.71 1.17 -3.10 2.45 1.85 -1.26 -4.08 116.66 110.98 3nef n ARG 122 Ca -0.01 -0.25 -0.17 0.00 -1.00 0.00 0.00 57.85 56.42 3nef n ARG 122 Cb 0.59 -1.44 -0.01 0.00 -1.05 0.00 0.00 32.46 30.55 3nef n ARG 122 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3nef n LEU 123 N -0.64 0.07 -4.71 2.89 4.77 -1.23 -4.87 117.00 113.27 3nef n LEU 123 Ca 0.20 -4.69 -0.42 0.00 -0.03 0.00 0.00 56.01 51.07 3nef n LEU 123 Cb 0.16 0.75 -0.03 0.00 -2.33 0.00 0.00 43.42 41.97 3nef n LEU 123 CO 0.16 2.22 0.99 -0.13 -1.33 0.00 0.00 177.39 179.29 3nef s ARG 124 N -1.70 4.37 -1.54 3.23 1.81 -1.26 -3.02 118.95 120.84 3nef s ARG 124 Ca 0.36 1.92 -0.03 0.00 -1.72 0.00 0.00 55.73 56.26 3nef s ARG 124 Cb 0.31 -3.33 0.00 0.00 -0.45 0.00 0.00 34.95 31.49 3nef s ARG 124 CO -0.08 -0.37 0.45 0.09 -0.68 0.00 0.00 175.30 174.70 3nef n ASN 125 N 4.11 -5.88 -4.75 0.23 3.02 -1.26 -1.36 115.26 109.38 3nef n ASN 125 Ca 0.11 -0.21 -0.41 0.00 -0.03 0.00 0.00 54.58 54.03 3nef n ASN 125 Cb 0.44 -4.75 -0.03 0.00 -0.61 0.00 0.00 39.78 34.84 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 -3.12 3.18 -0.13 3.10 5.04 -1.17 -4.37 117.35 119.88 3nef s TYR 126 Ca 0.22 1.26 -0.06 0.00 -2.44 0.00 0.00 57.07 56.04 3nef s TYR 126 Cb -0.10 -3.65 0.05 0.00 0.35 0.00 0.00 41.96 38.62 3nef s TYR 126 CO 0.27 -1.96 0.30 0.21 -1.34 0.00 0.00 175.55 173.04 3nef s LYS 127 N -0.64 0.25 0.15 4.97 2.20 -0.54 -1.31 119.74 124.83 3nef s LYS 127 Ca 0.55 0.66 0.07 0.00 -0.36 0.00 0.00 55.97 56.89 3nef s LYS 127 Cb -0.38 -0.06 -0.04 0.00 -1.51 0.00 0.00 37.83 35.84 3nef s LYS 127 CO 0.43 -0.18 -0.15 -1.54 -0.36 0.00 0.00 175.35 173.54 3nef s SER 128 N 1.54 2.33 -0.03 1.43 1.04 -0.43 -0.69 113.70 118.88 3nef s SER 128 Ca -0.07 -0.88 0.03 0.00 0.48 0.00 0.00 55.95 55.51 3nef s SER 128 Cb -0.10 -0.11 -0.00 0.00 0.10 0.00 0.00 66.02 65.91 3nef s SER 128 CO -0.10 -0.12 -0.13 -0.69 0.98 0.00 0.00 173.24 173.18 3nef s VAL 129 N -2.33 1.10 -0.11 5.02 1.01 -0.30 -1.62 120.40 123.16 3nef s VAL 129 Ca 0.14 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.61 3nef s VAL 129 Cb -0.04 -0.95 -0.00 0.00 0.00 0.00 0.00 36.38 35.39 3nef s VAL 129 CO 0.05 0.33 -0.22 -0.89 0.00 0.00 0.00 175.10 174.37 3nef s THR 130 N 0.08 2.28 0.02 3.92 2.01 0.19 -1.64 115.64 122.49 3nef s THR 130 Ca -0.03 -0.94 0.06 0.00 0.31 0.00 0.00 61.69 61.10 3nef s THR 130 Cb -0.10 -1.89 -0.02 0.00 0.01 0.00 0.00 72.50 70.50 3nef s THR 130 CO 0.01 0.55 -0.19 0.42 -0.69 0.00 0.00 174.62 174.73 3nef s THR 131 N 0.36 1.48 -0.05 -0.82 -4.23 -0.20 -1.60 115.64 110.58 3nef s THR 131 Ca -0.17 -0.98 0.04 0.00 -1.18 0.00 0.00 61.69 59.41 3nef s THR 131 Cb -0.17 -1.27 -0.02 0.00 1.34 0.00 0.00 72.50 72.37 3nef s THR 131 CO 0.08 0.26 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.56 3nef s VAL 132 N -0.64 2.76 -0.01 2.29 1.01 -0.67 -1.16 120.40 123.97 3nef s VAL 132 Ca 0.06 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.23 3nef s VAL 132 Cb -0.08 -2.06 0.00 0.00 0.00 0.00 0.00 36.38 34.25 3nef s VAL 132 CO 0.01 0.58 -0.04 -1.00 0.00 0.00 0.00 175.10 174.64 3nef s HIS 133 N -0.57 0.49 -0.10 5.22 3.76 -0.33 -4.78 115.29 118.99 3nef s HIS 133 Ca 0.08 -0.10 -0.12 0.00 -0.15 0.00 0.00 55.06 54.78 3nef s HIS 133 Cb -0.11 -0.38 -0.05 0.00 1.11 0.00 0.00 32.58 33.15 3nef s HIS 133 CO 0.01 -0.05 0.26 0.50 -0.85 0.00 0.00 174.74 174.61 3nef s ARG 134 N 0.20 3.87 -0.01 1.40 3.52 -1.26 -1.43 118.95 125.24 3nef s ARG 134 Ca -0.02 0.09 0.03 0.00 -0.13 0.00 0.00 55.73 55.70 3nef s ARG 134 Cb -0.06 -3.28 -0.01 0.00 -1.56 0.00 0.00 34.95 30.04 3nef s ARG 134 CO -0.00 0.56 -0.10 -0.06 -0.81 0.00 0.00 175.30 174.89 3nef s PHE 135 N -0.51 0.92 0.38 5.12 0.08 -0.05 -4.96 117.98 118.96 3nef s PHE 135 Ca 0.18 -0.18 0.04 0.00 0.12 0.00 0.00 56.93 57.09 3nef s PHE 135 Cb -0.14 -0.60 -0.03 0.00 -0.57 0.00 0.00 43.02 41.69 3nef s PHE 135 CO 0.06 -0.02 0.14 -1.21 -0.10 0.00 0.00 175.22 174.09 3nef s GLU 136 N -0.22 1.85 0.00 0.44 8.01 -1.26 -1.01 118.70 126.50 3nef s GLU 136 Ca 0.04 -2.11 0.00 0.00 0.01 0.00 0.00 54.97 52.91 3nef s GLU 136 Cb -0.04 -0.51 0.00 0.00 -4.31 0.00 0.00 34.13 29.27 3nef s GLU 136 CO -0.00 -0.46 0.00 1.63 0.01 0.00 0.00 175.26 176.43 3nef n LYS 137 N -0.83 0.00 -3.70 1.61 4.76 -1.26 -4.99 118.16 113.75 3nef n LYS 137 Ca -0.04 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.26 3nef n LYS 137 Cb 0.65 -0.01 -0.09 0.00 -1.84 0.00 0.00 35.03 33.74 3nef n LYS 137 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 3nef s ILE 144 N -1.37 0.01 0.40 -0.18 -4.36 -1.26 -5.36 121.20 109.08 3nef s ILE 144 Ca 0.00 -0.06 0.04 0.00 -0.26 0.00 0.00 60.65 60.37 3nef s ILE 144 Cb 0.00 -0.68 -0.02 0.00 1.25 0.00 0.00 42.46 43.01 3nef s ILE 144 CO 0.00 -0.03 0.14 -1.66 0.24 0.00 0.00 174.94 173.63 3nef s TRP 145 N -0.03 1.78 0.06 1.37 -2.14 -0.18 -4.55 118.94 115.23 3nef s TRP 145 Ca -0.02 -1.33 0.08 0.00 2.66 0.00 0.00 56.10 57.49 3nef s TRP 145 Cb -0.03 -1.11 -0.03 0.00 -3.10 0.00 0.00 33.47 29.19 3nef s TRP 145 CO 0.02 -0.36 -0.22 0.99 -2.66 0.00 0.00 176.95 174.72 3nef s THR 146 N -3.23 1.75 -0.12 0.66 2.01 0.34 -0.88 115.64 116.18 3nef s THR 146 Ca 0.25 -1.31 0.02 0.00 0.31 0.00 0.00 61.69 60.95 3nef s THR 146 Cb 0.02 -1.54 -0.01 0.00 0.01 0.00 0.00 72.50 70.99 3nef s THR 146 CO 0.16 0.16 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.38 3nef s VAL 147 N -0.89 2.64 -0.18 3.82 1.01 -0.52 0.22 120.40 126.51 3nef s VAL 147 Ca 0.08 -0.81 -0.07 0.00 0.00 0.00 0.00 61.98 61.18 3nef s VAL 147 Cb -0.09 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 3nef s VAL 147 CO 0.02 0.54 0.06 -0.69 0.00 0.00 0.00 175.10 175.04 3nef s VAL 148 N 0.32 4.81 -0.14 2.92 1.01 0.40 -1.18 120.40 128.54 3nef s VAL 148 Ca -0.14 -0.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.79 3nef s VAL 148 Cb -0.17 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.03 3nef s VAL 148 CO 0.07 0.47 -0.06 -0.76 0.00 0.00 0.00 175.10 174.82 3nef s LEU 149 N 0.27 3.10 -0.04 3.92 1.02 -0.30 -0.65 118.68 125.99 3nef s LEU 149 Ca 0.04 -0.18 0.01 0.00 0.02 0.00 0.00 54.13 54.02 3nef s LEU 149 Cb -0.12 -1.73 0.02 0.00 0.02 0.00 0.00 46.19 44.38 3nef s LEU 149 CO 0.00 0.18 -0.05 -0.70 0.02 0.00 0.00 176.35 175.80 3nef s GLU 150 N 0.29 0.90 0.19 1.70 2.12 0.55 -1.03 118.70 123.42 3nef s GLU 150 Ca -0.05 -0.14 0.02 0.00 0.36 0.00 0.00 54.97 55.17 3nef s GLU 150 Cb -0.14 -0.87 -0.05 0.00 0.26 0.00 0.00 34.13 33.32 3nef s GLU 150 CO 0.04 -0.06 0.01 -1.54 -0.54 0.00 0.00 175.26 173.16 3nef s SER 151 N 0.85 1.38 0.15 -1.70 1.04 -0.65 -0.00 113.70 114.77 3nef s SER 151 Ca -0.12 -1.20 -0.15 0.00 0.48 0.00 0.00 55.95 54.96 3nef s SER 151 Cb -0.14 0.09 0.02 0.00 0.10 0.00 0.00 66.02 66.09 3nef s SER 151 CO 0.01 -0.56 0.40 -0.72 0.98 0.00 0.00 173.24 173.35 3nef s TYR 152 N -3.60 -0.03 0.04 5.02 1.13 -1.05 -1.15 117.35 117.71 3nef s TYR 152 Ca 0.26 -0.32 0.04 0.00 -1.41 0.00 0.00 57.07 55.64 3nef s TYR 152 Cb 0.06 0.22 -0.02 0.00 -1.10 0.00 0.00 41.96 41.12 3nef s TYR 152 CO 0.06 -0.77 -0.11 0.54 -2.51 0.00 0.00 175.55 172.76 3nef s VAL 153 N -3.86 0.82 0.02 -3.49 0.11 0.13 -2.52 120.40 111.61 3nef s VAL 153 Ca 0.08 -1.01 -0.20 0.00 -2.93 0.00 0.00 61.98 57.92 3nef s VAL 153 Cb 0.01 -0.80 0.04 0.00 -1.53 0.00 0.00 36.38 34.10 3nef s VAL 153 CO -0.06 -0.18 0.45 0.54 -3.33 0.00 0.00 175.10 172.52 3nef s VAL 154 N -1.06 0.04 0.47 2.04 0.11 -0.12 -1.47 120.40 120.41 3nef s VAL 154 Ca -0.03 -0.35 -0.22 0.00 -2.93 0.00 0.00 61.98 58.44 3nef s VAL 154 Cb -0.08 -0.90 -0.07 0.00 -1.53 0.00 0.00 36.38 33.79 3nef s VAL 154 CO 0.01 -0.19 1.14 -1.81 -3.33 0.00 0.00 175.10 170.92 3nef s ASP 155 N -1.77 6.16 -0.22 3.54 1.11 -0.46 -1.03 116.67 124.00 3nef s ASP 155 Ca -0.08 2.24 -0.18 0.00 0.18 0.00 0.00 52.55 54.72 3nef s ASP 155 Cb -0.01 -2.60 -0.03 0.00 1.07 0.00 0.00 42.92 41.35 3nef s ASP 155 CO 0.01 -0.92 0.52 -0.69 1.18 0.00 0.00 175.17 175.27 3nef s VAL 156 N -1.61 5.09 0.31 -1.27 1.01 -0.05 -4.50 120.40 119.39 3nef s VAL 156 Ca 0.65 0.93 -0.27 0.00 0.00 0.00 0.00 61.98 63.28 3nef s VAL 156 Cb -0.27 -3.84 -0.14 0.00 0.00 0.00 0.00 36.38 32.14 3nef s VAL 156 CO 0.32 0.14 0.87 -2.65 0.00 0.00 0.00 175.10 173.78 3nef n PRO 157 N 5.07 1.04 0.04 2.72 -0.02 -1.26 -4.84 135.00 137.75 3nef n PRO 157 Ca -0.04 0.37 0.21 0.00 -2.02 0.00 0.00 63.50 62.01 3nef n PRO 157 Cb 0.50 -1.70 0.73 0.00 -0.02 0.00 0.00 33.50 33.02 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 1.61 0.00 0.00 -0.52 4.39 -1.97 0.31 114.58 118.40 3nef h GLU 158 Ca -0.39 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.14 3nef h GLU 158 Cb 1.36 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.98 3nef h GLU 158 CO 0.58 0.00 -1.67 0.41 -1.16 0.00 0.00 179.01 177.17 3nef n GLY 159 N -1.55 -1.14 3.75 -3.84 0.00 -1.26 -5.00 105.19 96.15 3nef n GLY 159 Ca 0.09 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 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 -5.51 3.95 0.44 1.61 -0.87 0.10 -5.07 114.94 109.59 3nef s ASN 160 Ca -0.05 1.50 0.04 0.00 -1.57 0.00 0.00 52.86 52.79 3nef s ASN 160 Cb 0.09 -2.21 0.01 0.00 -0.02 0.00 0.00 41.25 39.12 3nef s ASN 160 CO 0.83 -2.34 0.62 -0.94 -2.57 0.00 0.00 177.10 172.70 3nef s SER 161 N -3.54 5.67 0.10 -1.22 1.04 -1.26 -4.83 113.70 109.66 3nef s SER 161 Ca 0.62 -0.10 -0.14 0.00 0.48 0.00 0.00 55.95 56.81 3nef s SER 161 Cb -0.17 -1.04 -0.10 0.00 0.10 0.00 0.00 66.02 64.81 3nef s SER 161 CO 0.56 -0.77 1.38 -0.08 0.98 0.00 0.00 173.24 175.32 3nef h GLU 162 N 0.50 0.75 -0.61 4.02 4.81 -1.97 -3.07 114.58 119.01 3nef h GLU 162 Ca -0.43 -0.46 -0.07 0.00 -0.13 0.00 0.00 59.36 58.27 3nef h GLU 162 Cb 1.27 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.67 3nef h GLU 162 CO 0.51 1.08 0.12 1.05 -0.73 0.00 0.00 179.01 181.04 3nef h GLU 163 N 0.49 0.98 -0.07 1.92 4.11 -1.98 -0.34 114.58 119.68 3nef h GLU 163 Ca 0.02 -0.23 0.02 0.00 0.07 0.00 0.00 59.36 59.23 3nef h GLU 163 Cb 1.03 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 30.11 3nef h GLU 163 CO 0.10 0.89 -0.33 -0.44 0.07 0.00 0.00 179.01 179.29 3nef h ASP 164 N 0.92 -1.05 0.06 3.06 3.32 -1.96 0.32 116.42 121.09 3nef h ASP 164 Ca 0.19 0.12 0.02 0.00 0.02 0.00 0.00 57.03 57.39 3nef h ASP 164 Cb 0.38 0.41 -0.04 0.00 0.22 0.00 0.00 39.33 40.30 3nef h ASP 164 CO 0.01 -0.30 -0.26 0.74 -1.72 0.00 0.00 179.24 177.70 3nef h THR 165 N -0.36 0.41 -0.61 0.35 2.02 -1.41 -1.36 112.91 111.95 3nef h THR 165 Ca 0.02 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.27 3nef h THR 165 Cb 0.42 0.41 -0.06 0.00 -1.74 0.00 0.00 68.15 67.18 3nef h THR 165 CO -0.26 0.00 0.30 -0.09 0.37 0.00 0.00 175.52 175.84 3nef h ARG 166 N -0.44 0.53 -0.39 6.66 2.43 -0.91 -1.21 114.38 121.05 3nef h ARG 166 Ca 0.04 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3nef h ARG 166 Cb 0.49 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 3nef h ARG 166 CO -0.19 0.35 0.18 1.25 -1.51 0.00 0.00 179.97 180.05 3nef h LEU 167 N 0.54 0.51 0.49 3.80 5.85 -0.07 0.44 115.31 126.88 3nef h LEU 167 Ca 0.29 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 3nef h LEU 167 Cb 0.25 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.15 3nef h LEU 167 CO -0.22 0.50 -0.25 0.15 -0.34 0.00 0.00 178.44 178.28 3nef h PHE 168 N 0.48 -0.66 -0.97 1.25 3.57 -0.68 -0.97 116.94 118.97 3nef h PHE 168 Ca 0.13 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.78 3nef h PHE 168 Cb 0.13 0.22 -0.09 0.00 2.79 0.00 0.00 35.95 39.01 3nef h PHE 168 CO -0.01 -0.40 0.61 0.00 -2.23 0.00 0.00 178.31 176.28 3nef h ALA 169 N -1.64 1.72 -0.61 2.41 0.00 -1.26 -1.49 119.26 118.39 3nef h ALA 169 Ca -0.07 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3nef h ALA 169 Cb 0.53 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3nef h ALA 169 CO 0.10 -0.01 0.18 -0.44 0.00 0.00 0.00 179.25 179.08 3nef h ASP 170 N 0.79 0.89 0.00 0.00 5.19 -0.83 -0.75 116.42 121.71 3nef h ASP 170 Ca 0.51 -0.21 -0.00 0.00 -0.62 0.00 0.00 57.03 56.71 3nef h ASP 170 Cb 0.75 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 40.03 3nef h ASP 170 CO -0.28 0.87 -0.00 0.74 -3.12 0.00 0.00 179.24 177.44 3nef h THR 171 N 0.87 1.16 -0.46 0.35 2.02 -0.21 -0.35 112.91 116.29 3nef h THR 171 Ca 0.19 -0.49 0.03 0.00 0.77 0.00 0.00 66.41 66.91 3nef h THR 171 Cb 0.30 1.49 -0.03 0.00 -1.74 0.00 0.00 68.15 68.17 3nef h THR 171 CO -0.00 0.13 0.26 0.58 0.37 0.00 0.00 175.52 176.85 3nef h VAL 172 N -0.21 1.02 -0.46 3.16 2.07 -1.25 -2.24 116.25 118.34 3nef h VAL 172 Ca -0.00 -0.18 -0.11 0.00 0.82 0.00 0.00 66.70 67.23 3nef h VAL 172 Cb 0.21 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 3nef h VAL 172 CO 0.00 0.09 -0.16 0.40 0.02 0.00 0.00 177.57 177.93 3nef h ILE 173 N 0.52 1.27 -0.86 4.57 2.04 -1.04 -1.34 117.51 122.67 3nef h ILE 173 Ca 0.19 -1.30 0.05 0.00 1.00 0.00 0.00 64.86 64.80 3nef h ILE 173 Cb 0.04 1.14 -0.06 0.00 -0.74 0.00 0.00 36.82 37.21 3nef h ILE 173 CO -0.10 0.45 0.54 -0.09 0.00 0.00 0.00 178.15 178.94 3nef h ARG 174 N 0.76 0.98 -0.27 2.37 9.65 -0.95 0.23 114.38 127.16 3nef h ARG 174 Ca 0.11 -0.06 -0.02 0.00 -1.10 0.00 0.00 59.98 58.91 3nef h ARG 174 Cb 0.72 -0.22 -0.01 0.00 -1.39 0.00 0.00 29.97 29.07 3nef h ARG 174 CO 0.05 0.65 0.08 -0.07 2.80 0.00 0.00 179.97 183.49 3nef h LEU 175 N 1.01 0.39 -0.61 3.80 3.38 -1.20 -1.35 115.31 120.74 3nef h LEU 175 Ca 0.36 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 58.16 3nef h LEU 175 Cb 0.10 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 3nef h LEU 175 CO -0.15 0.50 0.35 0.78 0.09 0.00 0.00 178.44 180.02 3nef h ASN 176 N 0.27 0.55 0.08 -0.43 2.35 -0.64 -0.92 115.58 116.84 3nef h ASN 176 Ca 0.09 0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.79 3nef h ASN 176 Cb 0.25 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 3nef h ASN 176 CO -0.00 0.38 -0.19 -0.07 -1.65 0.00 0.00 177.43 175.89 3nef h LEU 177 N 0.68 0.21 -0.17 1.61 3.38 -0.40 0.80 115.31 121.42 3nef h LEU 177 Ca 0.26 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.11 3nef h LEU 177 Cb 0.09 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3nef h LEU 177 CO -0.14 0.41 -0.18 1.56 0.09 0.00 0.00 178.44 180.19 3nef h GLN 178 N 0.20 0.42 -0.73 1.13 4.20 -0.60 -0.77 115.11 118.95 3nef h GLN 178 Ca 0.04 -0.22 -0.05 0.00 0.06 0.00 0.00 58.65 58.47 3nef h GLN 178 Cb 0.46 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.22 3nef h GLN 178 CO 0.03 0.79 0.24 -0.22 -0.67 0.00 0.00 178.83 179.00 3nef h LYS 179 N 0.07 1.13 -0.35 1.46 3.64 -0.97 0.67 116.57 122.22 3nef h LYS 179 Ca 0.03 -0.24 0.07 0.00 -1.27 0.00 0.00 60.65 59.24 3nef h LYS 179 Cb 0.72 -0.17 -0.07 0.00 -0.41 0.00 0.00 32.23 32.30 3nef h LYS 179 CO 0.04 0.96 -0.13 1.25 -2.27 0.00 0.00 179.45 179.30 3nef h LEU 180 N 1.08 -0.46 0.23 5.20 5.85 -0.76 -1.39 115.31 125.05 3nef h LEU 180 Ca 0.24 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 59.07 3nef h LEU 180 Cb 0.29 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 3nef h LEU 180 CO -0.01 -0.17 -0.15 0.00 -0.34 0.00 0.00 178.44 177.77 3nef h ALA 181 N 1.24 -0.36 -0.56 1.25 0.00 -0.16 -1.15 119.26 119.52 3nef h ALA 181 Ca 0.17 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3nef h ALA 181 Cb 0.33 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3nef h ALA 181 CO -0.39 -0.71 0.31 0.66 0.00 0.00 0.00 179.25 179.11 3nef h SER 182 N -0.37 0.71 0.42 0.00 4.64 -0.68 -1.09 113.55 117.17 3nef h SER 182 Ca -0.02 -0.09 -0.17 0.00 -0.47 0.00 0.00 61.79 61.04 3nef h SER 182 Cb 0.32 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 3nef h SER 182 CO 0.01 0.60 -0.72 0.16 -0.87 0.00 0.00 176.83 176.01 3nef h ILE 183 N 0.76 1.42 0.00 0.95 3.07 -1.17 -1.48 117.51 121.06 3nef h ILE 183 Ca 0.20 -2.23 0.00 0.00 1.55 0.00 0.00 64.86 64.38 3nef h ILE 183 Cb 0.05 2.18 0.00 0.00 -0.27 0.00 0.00 36.82 38.78 3nef h ILE 183 CO -0.03 0.66 0.00 0.71 -1.05 0.00 0.00 178.15 178.43 3nef h THR 184 N 0.17 0.00 0.00 0.16 1.35 -1.07 -1.60 112.91 111.93 3nef h THR 184 Ca -0.02 -0.73 -0.11 0.00 -0.55 0.00 0.00 66.41 65.00 3nef h THR 184 Cb 1.28 1.71 -0.02 0.00 -1.73 0.00 0.00 68.15 69.39 3nef h THR 184 CO 0.11 0.00 -0.83 -0.33 -0.25 0.00 0.00 175.52 174.22 3nef h GLU 185 N 0.00 0.00 -0.05 4.72 5.08 -0.99 -3.00 114.58 120.33 3nef h GLU 185 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 3nef h GLU 185 Cb 0.80 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.06 3nef h GLU 185 CO 0.00 0.35 -0.50 0.00 -1.00 0.00 0.00 179.01 177.86 3nef h ALA 186 N 1.55 0.13 -0.68 3.43 0.00 -1.02 -3.11 119.26 119.57 3nef h ALA 186 Ca -0.06 -0.52 0.10 0.00 0.00 0.00 0.00 54.91 54.44 3nef h ALA 186 Cb 1.39 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 3nef h ALA 186 CO 0.05 0.32 0.45 0.52 0.00 0.00 0.00 179.25 180.59 3nef h MET 187 N -0.04 0.50 0.76 0.00 2.86 -1.37 -2.78 114.93 114.86 3nef h MET 187 Ca -0.05 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.53 3nef h MET 187 Cb 1.17 -0.11 0.01 0.00 0.06 0.00 0.00 31.60 32.73 3nef h MET 187 CO 0.10 0.33 -0.36 -0.97 1.06 0.00 0.00 176.91 177.07 3nef h ASN 188 N 0.51 -0.86 -0.10 1.22 -1.24 -1.46 -2.08 115.58 111.58 3nef h ASN 188 Ca 0.31 0.03 0.03 0.00 0.71 0.00 0.00 56.30 57.38 3nef h ASN 188 Cb 0.54 0.22 -0.00 0.00 0.73 0.00 0.00 38.32 39.81 3nef h ASN 188 CO -0.10 -0.52 0.08 0.03 -1.29 0.00 0.00 177.43 175.63 3nef h ARG 189 N -1.20 0.00 -0.52 6.67 3.08 -1.53 -1.22 114.38 119.66 3nef h ARG 189 Ca -0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.95 3nef h ARG 189 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.83 3nef h ARG 189 CO 0.17 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 179.16 3nef n ASN 190 N -4.21 2.81 -0.37 7.04 4.13 -1.05 -5.15 115.26 118.47 3nef n ASN 190 Ca -0.01 -2.07 0.05 0.00 1.68 0.00 0.00 54.58 54.23 3nef n ASN 190 Cb 0.19 -0.36 0.04 0.00 -1.54 0.00 0.00 39.78 38.10 3nef n ASN 190 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13