#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nvj s GLU 3 N 0.00 3.81 -0.07 0.00 8.01 -1.26 -4.91 118.70 124.27 1nvj s GLU 3 Ca 0.00 0.59 0.02 0.00 0.01 0.00 0.00 54.97 55.60 1nvj s GLU 3 Cb 0.00 -2.32 0.01 0.00 -4.31 0.00 0.00 34.13 27.52 1nvj s GLU 3 CO 0.00 -0.12 -0.13 0.99 0.01 0.00 0.00 175.26 176.01 1nvj s THR 4 N -2.47 1.24 -0.24 3.63 2.01 -1.26 -2.64 115.64 115.92 1nvj s THR 4 Ca 0.53 -0.53 -0.05 0.00 0.31 0.00 0.00 61.69 61.95 1nvj s THR 4 Cb -0.10 -1.13 -0.01 0.00 0.01 0.00 0.00 72.50 71.27 1nvj s THR 4 CO 0.32 0.38 -0.01 -0.75 -0.69 0.00 0.00 174.62 173.88 1nvj s LYS 5 N 0.70 3.37 -0.15 4.92 2.20 0.18 -5.00 119.74 125.96 1nvj s LYS 5 Ca -0.14 -0.64 0.02 0.00 -0.36 0.00 0.00 55.97 54.85 1nvj s LYS 5 Cb -0.16 -3.12 0.02 0.00 -1.51 0.00 0.00 37.83 33.06 1nvj s LYS 5 CO 0.03 -0.24 -0.19 0.42 -0.36 0.00 0.00 175.35 175.01 1nvj s ILE 6 N 1.50 1.93 -0.03 5.43 -1.09 -1.26 -0.54 121.20 127.13 1nvj s ILE 6 Ca 0.05 -0.88 0.00 0.00 -2.23 0.00 0.00 60.65 57.59 1nvj s ILE 6 Cb -0.15 -1.74 0.03 0.00 -1.58 0.00 0.00 42.46 39.02 1nvj s ILE 6 CO -0.01 0.52 0.01 -0.69 -1.23 0.00 0.00 174.94 173.54 1nvj s VAL 7 N 1.09 0.12 -0.06 2.92 1.01 -0.44 -5.02 120.40 120.03 1nvj s VAL 7 Ca -0.01 0.14 0.05 0.00 0.00 0.00 0.00 61.98 62.15 1nvj s VAL 7 Cb -0.14 -0.24 -0.00 0.00 0.00 0.00 0.00 36.38 35.99 1nvj s VAL 7 CO -0.07 0.14 -0.20 -0.69 0.00 0.00 0.00 175.10 174.28 1nvj s VAL 8 N 1.18 1.69 0.00 2.92 1.01 -1.26 -1.00 120.40 124.94 1nvj s VAL 8 Ca -0.08 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.05 1nvj s VAL 8 Cb -0.13 -1.45 0.00 0.00 0.00 0.00 0.00 36.38 34.80 1nvj s VAL 8 CO -0.02 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.17 1nvj n GLY 9 N 3.17 0.87 0.17 4.51 0.00 -1.01 -5.01 105.19 107.89 1nvj n GLY 9 Ca -0.18 -0.75 0.13 0.00 0.00 0.00 0.00 46.02 45.22 1nvj n GLY 9 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nvj h PRO 10 N 0.00 0.00 -6.94 1.61 0.13 -1.89 -2.66 132.00 122.25 1nvj h PRO 10 Ca 0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.60 1nvj h PRO 10 Cb 0.00 0.00 0.08 0.00 0.13 0.00 0.00 31.00 31.21 1nvj h PRO 10 CO 0.00 0.00 0.64 -0.65 -0.23 0.00 0.00 178.00 177.76 1nvj s GLN 11 N -3.32 4.04 0.48 0.86 1.11 -1.26 -4.75 119.66 116.83 1nvj s GLN 11 Ca 0.06 2.22 -0.24 0.00 0.01 0.00 0.00 55.36 57.41 1nvj s GLN 11 Cb 0.09 -2.84 -0.07 0.00 -1.01 0.00 0.00 33.01 29.18 1nvj s GLN 11 CO 0.51 -0.45 1.33 -2.30 0.01 0.00 0.00 175.29 174.39 1nvj n PRO 12 N 0.28 1.88 -3.51 2.91 -0.02 -1.26 -4.89 135.00 130.39 1nvj n PRO 12 Ca 0.03 0.68 -0.20 0.00 -2.02 0.00 0.00 63.50 61.98 1nvj n PRO 12 Cb 0.43 -2.51 -0.03 0.00 -0.02 0.00 0.00 33.50 31.37 1nvj n PRO 12 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1nvj s PHE 13 N -1.25 2.71 -0.11 6.00 -0.12 -1.26 -5.13 117.98 118.83 1nvj s PHE 13 Ca 0.66 -0.49 -0.01 0.00 -0.05 0.00 0.00 56.93 57.04 1nvj s PHE 13 Cb -0.45 -2.19 0.03 0.00 -0.63 0.00 0.00 43.02 39.77 1nvj s PHE 13 CO 0.54 -0.16 -0.06 0.45 -0.05 0.00 0.00 175.22 175.95 1nvj s SER 14 N -4.15 2.15 0.38 1.98 0.15 -1.26 -5.02 113.70 107.93 1nvj s SER 14 Ca 0.49 -0.31 0.11 0.00 0.70 0.00 0.00 55.95 56.94 1nvj s SER 14 Cb -0.04 -0.78 0.76 0.00 -1.71 0.00 0.00 66.02 64.26 1nvj s SER 14 CO 0.28 -0.14 1.87 0.58 1.20 0.00 0.00 173.24 177.03 1nvj h VAL 15 N 6.23 1.22 0.00 4.45 2.07 -2.00 -1.37 116.25 126.85 1nvj h VAL 15 Ca -0.27 -1.03 -0.05 0.00 0.82 0.00 0.00 66.70 66.16 1nvj h VAL 15 Cb 1.13 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.37 1nvj h VAL 15 CO 0.38 0.30 -0.25 1.23 0.02 0.00 0.00 177.57 179.26 1nvj h GLY 16 N 0.91 0.00 1.95 2.17 0.00 -2.00 0.80 103.07 106.90 1nvj h GLY 16 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.12 1nvj h GLY 16 CO 0.04 0.00 -1.03 0.83 0.00 0.00 0.00 176.54 176.37 1nvj h GLU 17 N 0.00 0.04 0.06 4.80 5.08 -1.70 -3.38 114.58 119.48 1nvj h GLU 17 Ca -0.00 -0.07 -0.29 0.00 -1.00 0.00 0.00 59.36 58.00 1nvj h GLU 17 Cb 0.52 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 1nvj h GLU 17 CO 0.03 1.03 -1.54 0.93 -1.00 0.00 0.00 179.01 178.46 1nvj h GLU 18 N 0.01 0.13 -0.24 2.33 4.39 -0.95 -3.39 114.58 116.87 1nvj h GLU 18 Ca -0.03 -0.23 0.01 0.00 0.34 0.00 0.00 59.36 59.45 1nvj h GLU 18 Cb 1.80 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 30.52 1nvj h GLU 18 CO 0.14 0.91 0.15 -0.92 -1.16 0.00 0.00 179.01 178.13 1nvj h TYR 19 N 0.04 0.28 -0.63 4.33 3.20 -1.03 -3.01 116.97 120.14 1nvj h TYR 19 Ca -0.23 0.01 0.13 0.00 3.14 0.00 0.00 58.73 61.77 1nvj h TYR 19 Cb 1.98 -0.09 -0.10 0.00 1.54 0.00 0.00 36.73 40.05 1nvj h TYR 19 CO 0.03 0.17 0.04 -1.35 -1.64 0.00 0.00 178.16 175.42 1nvj h PRO 20 N 0.30 0.15 -0.46 1.82 0.11 -1.77 -1.31 132.00 130.85 1nvj h PRO 20 Ca 0.09 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 66.06 1nvj h PRO 20 Cb -0.02 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.04 1nvj h PRO 20 CO -0.03 0.10 -0.23 2.35 -0.21 0.00 0.00 178.00 179.98 1nvj h TRP 21 N 0.15 1.09 -0.90 0.65 7.01 -1.79 -2.28 115.95 119.88 1nvj h TRP 21 Ca 0.34 -0.27 0.02 0.00 2.11 0.00 0.00 58.89 61.09 1nvj h TRP 21 Cb 0.54 -0.25 -0.05 0.00 -2.10 0.00 0.00 29.16 27.31 1nvj h TRP 21 CO -0.34 1.07 0.59 1.25 -2.79 0.00 0.00 178.44 178.23 1nvj h LEU 22 N 0.81 1.01 -2.18 0.65 5.85 -1.27 -3.01 115.31 117.17 1nvj h LEU 22 Ca 0.10 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1nvj h LEU 22 Cb 0.80 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.59 1nvj h LEU 22 CO 0.07 0.72 0.00 0.00 -0.34 0.00 0.00 178.44 178.89 1nvj n ALA 23 N -2.35 2.42 -0.15 1.25 0.00 -0.55 -4.64 120.51 116.49 1nvj n ALA 23 Ca 0.10 -1.01 -0.08 0.00 0.00 0.00 0.00 53.44 52.46 1nvj n ALA 23 Cb 0.04 -0.95 0.01 0.00 0.00 0.00 0.00 19.45 18.55 1nvj n ALA 23 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1nvj h GLU 24 N 3.71 0.59 -6.64 0.00 4.81 -1.28 -3.44 114.58 112.33 1nvj h GLU 24 Ca 0.00 -0.04 -0.51 0.00 -0.13 0.00 0.00 59.36 58.68 1nvj h GLU 24 Cb 0.84 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 1nvj h GLU 24 CO 0.00 0.39 0.42 1.03 -0.73 0.00 0.00 179.01 180.12 1nvj s ARG 25 N -6.16 4.66 0.43 1.92 0.52 -1.26 -4.94 118.95 114.13 1nvj s ARG 25 Ca -0.13 1.61 0.14 0.00 -0.52 0.00 0.00 55.73 56.82 1nvj s ARG 25 Cb 0.11 -3.31 0.95 0.00 0.52 0.00 0.00 34.95 33.22 1nvj s ARG 25 CO 0.73 0.17 1.96 -0.44 0.02 0.00 0.00 175.30 177.75 1nvj h ASP 26 N 5.12 0.00 1.18 0.23 3.32 -2.01 -2.39 116.42 121.88 1nvj h ASP 26 Ca -0.44 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1nvj h ASP 26 Cb 1.21 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1nvj h ASP 26 CO 0.72 0.22 0.00 1.05 -1.72 0.00 0.00 179.24 179.51 1nvj h GLU 27 N 0.00 0.00 -4.60 3.56 9.09 -1.98 -3.37 114.58 117.29 1nvj h GLU 27 Ca -0.00 0.00 -0.74 0.00 0.05 0.00 0.00 59.36 58.66 1nvj h GLU 27 Cb 0.38 0.00 -0.19 0.00 -1.65 0.00 0.00 28.75 27.29 1nvj h GLU 27 CO 0.03 0.00 1.24 -0.51 0.05 0.00 0.00 179.01 179.81 1nvj s ASP 28 N -4.97 7.10 0.17 3.06 1.01 -0.90 -4.34 116.67 117.80 1nvj s ASP 28 Ca 0.05 -3.07 0.25 0.00 0.71 0.00 0.00 52.55 50.49 1nvj s ASP 28 Cb 0.09 -2.38 0.91 0.00 1.01 0.00 0.00 42.92 42.56 1nvj s ASP 28 CO 0.52 -0.69 1.75 0.61 0.21 0.00 0.00 175.17 177.58 1nvj n GLY 29 N 3.93 -1.48 2.90 0.21 0.00 -1.06 -4.71 105.19 104.98 1nvj n GLY 29 Ca 0.35 -0.01 -0.23 0.00 0.00 0.00 0.00 46.02 46.14 1nvj n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nvj s ALA 30 N -3.13 0.91 -0.11 4.61 0.00 -0.20 -5.01 121.76 118.83 1nvj s ALA 30 Ca 0.09 -0.22 0.02 0.00 0.00 0.00 0.00 51.96 51.84 1nvj s ALA 30 Cb 0.12 -0.59 0.02 0.00 0.00 0.00 0.00 23.12 22.67 1nvj s ALA 30 CO 0.50 -0.14 -0.14 0.08 0.00 0.00 0.00 175.76 176.05 1nvj s VAL 31 N 1.19 1.45 -0.08 0.00 1.01 -1.26 -1.23 120.40 121.47 1nvj s VAL 31 Ca -0.06 -0.61 0.05 0.00 0.00 0.00 0.00 61.98 61.36 1nvj s VAL 31 Cb -0.14 -1.33 -0.00 0.00 0.00 0.00 0.00 36.38 34.91 1nvj s VAL 31 CO -0.02 0.43 -0.23 -0.69 0.00 0.00 0.00 175.10 174.59 1nvj s VAL 32 N 1.03 1.98 0.11 2.92 1.01 -0.06 -5.00 120.40 122.39 1nvj s VAL 32 Ca -0.06 -1.00 0.09 0.00 0.00 0.00 0.00 61.98 61.01 1nvj s VAL 32 Cb -0.15 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 1nvj s VAL 32 CO -0.02 0.55 -0.21 0.42 0.00 0.00 0.00 175.10 175.84 1nvj s THR 33 N 0.17 1.78 -0.02 3.92 -4.23 -1.26 -0.70 115.64 115.31 1nvj s THR 33 Ca -0.13 -1.61 0.04 0.00 -1.18 0.00 0.00 61.69 58.82 1nvj s THR 33 Cb -0.16 -1.63 -0.01 0.00 1.34 0.00 0.00 72.50 72.04 1nvj s THR 33 CO 0.07 -0.07 -0.14 0.12 -0.54 0.00 0.00 174.62 174.05 1nvj s PHE 34 N -1.25 1.31 -0.10 3.99 5.36 0.71 -5.00 117.98 123.01 1nvj s PHE 34 Ca 0.08 -0.28 0.01 0.00 -0.96 0.00 0.00 56.93 55.78 1nvj s PHE 34 Cb -0.10 -0.86 0.02 0.00 -0.34 0.00 0.00 43.02 41.74 1nvj s PHE 34 CO 0.05 -0.06 -0.13 0.99 -1.46 0.00 0.00 175.22 174.61 1nvj s THR 35 N -0.20 1.31 -0.09 0.12 2.01 -1.26 -0.92 115.64 116.61 1nvj s THR 35 Ca 0.03 -0.53 -0.01 0.00 0.31 0.00 0.00 61.69 61.48 1nvj s THR 35 Cb -0.07 -1.22 -0.03 0.00 0.01 0.00 0.00 72.50 71.19 1nvj s THR 35 CO 0.00 0.40 -0.02 -0.83 -0.69 0.00 0.00 174.62 173.49 1nvj s GLY 36 N 1.05 1.81 0.30 4.40 0.00 0.10 -4.98 107.32 110.00 1nvj s GLY 36 Ca -0.06 -0.83 0.10 0.00 0.00 0.00 0.00 44.72 43.93 1nvj s GLY 36 CO -0.02 -0.54 -0.08 0.54 0.00 0.00 0.00 173.10 173.00 1nvj s LYS 37 N -0.75 1.97 0.20 2.90 1.02 -1.26 -0.24 119.74 123.57 1nvj s LYS 37 Ca 0.12 -1.68 -0.32 0.00 0.02 0.00 0.00 55.97 54.11 1nvj s LYS 37 Cb -0.11 -1.91 -0.11 0.00 -0.52 0.00 0.00 37.83 35.17 1nvj s LYS 37 CO 0.02 0.27 1.63 0.08 -0.92 0.00 0.00 175.35 176.43 1nvj s VAL 38 N -2.47 2.34 0.22 3.17 1.01 -0.77 -4.89 120.40 119.01 1nvj s VAL 38 Ca 0.32 0.25 0.06 0.00 0.00 0.00 0.00 61.98 62.61 1nvj s VAL 38 Cb -0.03 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 1nvj s VAL 38 CO 0.18 0.02 0.19 -0.13 0.00 0.00 0.00 175.10 175.36 1nvj s ARG 39 N 0.96 2.96 0.31 2.72 1.81 -1.26 -2.42 118.95 124.03 1nvj s ARG 39 Ca 0.71 -0.96 0.01 0.00 -1.72 0.00 0.00 55.73 53.77 1nvj s ARG 39 Cb -0.46 -2.62 0.55 0.00 -0.45 0.00 0.00 34.95 31.96 1nvj s ARG 39 CO 0.33 0.44 1.91 -0.91 -0.68 0.00 0.00 175.30 176.39 1nvj h ASN 40 N 1.82 0.89 1.08 0.23 2.35 -1.99 -2.11 115.58 117.85 1nvj h ASN 40 Ca -0.48 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 1nvj h ASN 40 Cb 1.22 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.41 1nvj h ASN 40 CO 0.62 0.57 0.00 1.12 -1.65 0.00 0.00 177.43 178.08 1nvj h HIS 41 N 1.00 0.00 0.00 1.19 2.07 -2.01 -2.58 115.15 114.82 1nvj h HIS 41 Ca 0.39 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.91 1nvj h HIS 41 Cb 0.21 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.19 1nvj h HIS 41 CO -0.00 0.00 0.00 0.09 -3.07 0.00 0.00 177.93 174.95 1nvj n ASN 42 N -2.83 0.32 -4.64 3.10 5.03 -0.79 -4.74 115.26 110.71 1nvj n ASN 42 Ca 0.02 0.59 -0.40 0.00 0.87 0.00 0.00 54.58 55.66 1nvj n ASN 42 Cb 0.32 -0.66 -0.06 0.00 -1.02 0.00 0.00 39.78 38.36 1nvj n ASN 42 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1nvj s LEU 43 N -3.74 4.10 0.23 3.41 1.43 -0.97 -4.99 118.68 118.15 1nvj s LEU 43 Ca 0.04 0.79 0.21 0.00 -1.03 0.00 0.00 54.13 54.14 1nvj s LEU 43 Cb 0.08 -2.90 0.94 0.00 0.03 0.00 0.00 46.19 44.35 1nvj s LEU 43 CO 0.27 -0.34 1.65 0.61 0.23 0.00 0.00 176.35 178.77 1nvj n GLY 44 N 3.97 -1.14 1.80 -3.19 0.00 -1.26 -5.10 105.19 100.27 1nvj n GLY 44 Ca -0.00 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1nvj n GLY 44 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1nvj n ASN 48 N -2.14 0.00 -4.42 1.61 0.23 -1.26 -5.17 115.26 104.11 1nvj n ASN 48 Ca 0.01 0.00 -0.21 0.00 -0.53 0.00 0.00 54.58 53.86 1nvj n ASN 48 Cb 0.18 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 37.77 1nvj n ASN 48 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1nvj s ALA 49 N -1.74 2.24 -0.07 -2.53 0.00 -1.26 -4.69 121.76 113.71 1nvj s ALA 49 Ca 0.00 -2.01 -0.00 0.00 0.00 0.00 0.00 51.96 49.95 1nvj s ALA 49 Cb 0.00 0.75 -0.03 0.00 0.00 0.00 0.00 23.12 23.83 1nvj s ALA 49 CO 0.00 -0.34 -0.02 -1.17 0.00 0.00 0.00 175.76 174.22 1nvj s LEU 50 N -3.45 3.42 -0.27 0.00 2.96 -0.69 -4.98 118.68 115.66 1nvj s LEU 50 Ca 0.37 0.06 0.02 0.00 -0.22 0.00 0.00 54.13 54.36 1nvj s LEU 50 Cb 0.08 -1.80 0.06 0.00 0.50 0.00 0.00 46.19 45.04 1nvj s LEU 50 CO 0.15 0.36 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.57 1nvj s THR 51 N -0.89 2.36 -0.08 3.68 2.01 -1.26 -1.09 115.64 120.37 1nvj s THR 51 Ca 0.14 -1.60 -0.15 0.00 0.31 0.00 0.00 61.69 60.38 1nvj s THR 51 Cb -0.11 -2.39 -0.05 0.00 0.01 0.00 0.00 72.50 69.96 1nvj s THR 51 CO 0.03 -0.06 0.40 -0.76 -0.69 0.00 0.00 174.62 173.54 1nvj s LEU 52 N 1.13 4.35 0.43 4.42 1.43 -0.52 0.30 118.68 130.23 1nvj s LEU 52 Ca -0.08 0.80 0.06 0.00 -1.03 0.00 0.00 54.13 53.88 1nvj s LEU 52 Cb -0.20 -2.56 -0.06 0.00 0.03 0.00 0.00 46.19 43.40 1nvj s LEU 52 CO -0.04 0.17 0.05 -1.61 0.23 0.00 0.00 176.35 175.14 1nvj s GLU 53 N -0.15 2.05 0.19 1.70 2.02 0.49 -0.68 118.70 124.31 1nvj s GLU 53 Ca 0.23 -2.11 -0.14 0.00 0.02 0.00 0.00 54.97 52.96 1nvj s GLU 53 Cb -0.15 -1.69 0.01 0.00 0.10 0.00 0.00 34.13 32.40 1nvj s GLU 53 CO 0.10 -0.12 0.43 -3.38 0.02 0.00 0.00 175.26 172.31 1nvj s HIS 54 N -2.72 0.09 -0.59 1.61 -3.43 -1.26 -2.03 115.29 106.96 1nvj s HIS 54 Ca 0.31 -0.45 -0.20 0.00 -0.80 0.00 0.00 55.06 53.93 1nvj s HIS 54 Cb 0.07 0.22 0.09 0.00 -1.43 0.00 0.00 32.58 31.53 1nvj s HIS 54 CO 0.16 -0.85 0.74 -0.47 -2.00 0.00 0.00 174.74 172.32 1nvj s TYR 55 N -3.91 2.95 0.20 0.38 6.14 -1.23 -5.04 117.35 116.83 1nvj s TYR 55 Ca 0.13 -0.81 -0.32 0.00 0.64 0.00 0.00 57.07 56.70 1nvj s TYR 55 Cb 0.01 -3.99 -0.14 0.00 0.42 0.00 0.00 41.96 38.26 1nvj s TYR 55 CO -0.01 -1.31 1.51 -2.30 0.64 0.00 0.00 175.55 174.07 1nvj n PRO 56 N 6.56 2.14 0.00 4.97 -0.02 -1.26 -0.99 135.00 146.39 1nvj n PRO 56 Ca -0.08 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1nvj n PRO 56 Cb 0.43 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 1nvj n PRO 56 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nvj n GLY 57 N 2.81 2.10 0.19 -1.23 0.00 -1.26 -4.60 105.19 103.20 1nvj n GLY 57 Ca 0.14 -0.32 0.05 0.00 0.00 0.00 0.00 46.02 45.89 1nvj n GLY 57 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1nvj h MET 58 N 0.00 0.00 -0.14 1.61 2.86 -1.95 -2.01 114.93 115.30 1nvj h MET 58 Ca 0.00 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.55 1nvj h MET 58 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1nvj h MET 58 CO 0.00 0.36 -0.27 1.15 1.06 0.00 0.00 176.91 179.20 1nvj h THR 59 N 0.00 1.37 -0.65 2.22 2.02 -1.32 -1.10 112.91 115.45 1nvj h THR 59 Ca -0.00 -1.54 -0.08 0.00 0.77 0.00 0.00 66.41 65.56 1nvj h THR 59 Cb 0.77 2.01 -0.03 0.00 -1.74 0.00 0.00 68.15 69.17 1nvj h THR 59 CO 0.05 0.46 0.10 -0.33 0.37 0.00 0.00 175.52 176.17 1nvj h GLU 60 N 0.04 1.07 -0.55 6.66 3.07 -1.79 -1.00 114.58 122.08 1nvj h GLU 60 Ca 0.01 -0.28 0.02 0.00 -0.50 0.00 0.00 59.36 58.61 1nvj h GLU 60 Cb 0.86 -0.13 -0.04 0.00 -0.84 0.00 0.00 28.75 28.61 1nvj h GLU 60 CO 0.06 0.98 0.34 -0.22 -1.40 0.00 0.00 179.01 178.77 1nvj h LYS 61 N 1.01 0.65 -0.58 2.33 3.64 -1.32 0.86 116.57 123.16 1nvj h LYS 61 Ca 0.20 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 1nvj h LYS 61 Cb 0.43 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 1nvj h LYS 61 CO 0.01 0.43 0.27 0.00 -2.27 0.00 0.00 179.45 177.89 1nvj h ALA 62 N 1.24 0.75 -0.36 5.00 0.00 -0.66 -1.49 119.26 123.73 1nvj h ALA 62 Ca 0.22 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1nvj h ALA 62 Cb 0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1nvj h ALA 62 CO -0.09 0.32 0.22 -0.07 0.00 0.00 0.00 179.25 179.63 1nvj h LEU 63 N 0.79 0.44 -1.19 0.00 3.38 -0.92 -1.28 115.31 116.53 1nvj h LEU 63 Ca 0.20 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1nvj h LEU 63 Cb 0.13 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 1nvj h LEU 63 CO -0.02 0.37 0.46 0.00 0.09 0.00 0.00 178.44 179.33 1nvj h ALA 64 N 1.09 1.39 -0.05 1.53 0.00 -0.63 -1.78 119.26 120.81 1nvj h ALA 64 Ca 0.13 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 1nvj h ALA 64 Cb 0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1nvj h ALA 64 CO -0.02 0.53 -0.64 0.93 0.00 0.00 0.00 179.25 180.04 1nvj h GLU 65 N 1.03 0.19 -0.04 0.00 5.08 -1.03 -0.87 114.58 118.95 1nvj h GLU 65 Ca 0.27 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1nvj h GLU 65 Cb -0.05 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 1nvj h GLU 65 CO -0.05 0.77 0.00 0.82 -1.00 0.00 0.00 179.01 179.55 1nvj h ILE 66 N 0.14 1.22 -0.89 3.13 2.04 -0.95 -1.67 117.51 120.52 1nvj h ILE 66 Ca -0.01 -0.66 -0.00 0.00 1.00 0.00 0.00 64.86 65.18 1nvj h ILE 66 Cb 1.16 1.60 -0.04 0.00 -0.74 0.00 0.00 36.82 38.79 1nvj h ILE 66 CO 0.10 0.18 0.55 0.58 0.00 0.00 0.00 178.15 179.56 1nvj h VAL 67 N -0.20 1.24 -0.32 1.67 2.07 -1.28 -1.71 116.25 117.73 1nvj h VAL 67 Ca 0.01 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1nvj h VAL 67 Cb 0.28 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 1nvj h VAL 67 CO 0.00 0.25 0.20 -0.78 0.02 0.00 0.00 177.57 177.26 1nvj h ASP 68 N 1.22 0.38 -0.52 0.57 1.82 -1.06 0.43 116.42 119.26 1nvj h ASP 68 Ca 0.32 -0.03 -0.03 0.00 -0.39 0.00 0.00 57.03 56.90 1nvj h ASP 68 Cb -0.08 -0.09 -0.03 0.00 0.68 0.00 0.00 39.33 39.81 1nvj h ASP 68 CO -0.06 0.30 0.23 -0.08 -1.61 0.00 0.00 179.24 178.02 1nvj h GLU 69 N 0.42 0.81 -0.77 0.28 4.57 -1.07 -0.45 114.58 118.38 1nvj h GLU 69 Ca 0.12 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1nvj h GLU 69 Cb -0.01 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 28.39 1nvj h GLU 69 CO -0.02 0.66 0.49 0.00 -1.18 0.00 0.00 179.01 178.96 1nvj h ALA 70 N 1.46 1.43 -0.07 2.92 0.00 -0.56 -2.00 119.26 122.43 1nvj h ALA 70 Ca 0.19 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.87 1nvj h ALA 70 Cb 0.14 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1nvj h ALA 70 CO -0.02 0.52 -0.68 0.00 0.00 0.00 0.00 179.25 179.07 1nvj h ARG 71 N 1.04 0.33 -0.62 0.00 3.08 -0.17 -0.52 114.38 117.52 1nvj h ARG 71 Ca 0.28 -0.25 0.07 0.00 0.07 0.00 0.00 59.98 60.15 1nvj h ARG 71 Cb -0.10 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 1nvj h ARG 71 CO -0.06 0.89 0.41 -0.91 -1.07 0.00 0.00 179.97 179.23 1nvj h ASN 72 N 0.23 0.49 0.08 7.04 2.35 -0.40 -3.29 115.58 122.08 1nvj h ASN 72 Ca -0.02 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.43 1nvj h ASN 72 Cb 1.23 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 39.48 1nvj h ASN 72 CO 0.11 0.31 -1.68 0.03 -1.65 0.00 0.00 177.43 174.56 1nvj h ARG 73 N 0.55 0.17 -6.00 0.81 3.08 -1.03 -3.49 114.38 108.48 1nvj h ARG 73 Ca 0.27 -0.29 -0.56 0.00 0.07 0.00 0.00 59.98 59.48 1nvj h ARG 73 Cb 0.36 0.11 -0.25 0.00 0.08 0.00 0.00 29.97 30.27 1nvj h ARG 73 CO -0.08 1.14 -0.83 -1.58 -1.07 0.00 0.00 179.97 177.55 1nvj s TRP 74 N -2.48 1.72 -0.98 3.04 0.51 -0.24 -5.07 118.94 115.44 1nvj s TRP 74 Ca -0.24 -0.38 -0.23 0.00 -2.12 0.00 0.00 56.10 53.12 1nvj s TRP 74 Cb 0.06 -1.01 0.02 0.00 -0.81 0.00 0.00 33.47 31.73 1nvj s TRP 74 CO 0.70 0.11 1.63 -1.25 -0.51 0.00 0.00 176.95 177.64 1nvj s PRO 75 N -1.36 3.23 0.02 4.98 0.04 -1.26 -4.42 135.00 136.22 1nvj s PRO 75 Ca 0.06 -0.84 -0.00 0.00 0.04 0.00 0.00 61.00 60.26 1nvj s PRO 75 Cb -0.09 -5.26 -0.04 0.00 0.04 0.00 0.00 34.50 29.15 1nvj s PRO 75 CO 0.02 -2.63 0.13 -0.51 0.04 0.00 0.00 177.00 174.05 1nvj s LEU 76 N 6.79 4.09 0.00 -3.56 1.43 -1.26 -4.19 118.68 121.98 1nvj s LEU 76 Ca 0.55 0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.84 1nvj s LEU 76 Cb -0.02 -2.50 0.00 0.00 0.03 0.00 0.00 46.19 43.69 1nvj s LEU 76 CO -0.06 0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.36 1nvj n GLY 77 N 0.87 0.51 3.77 -3.19 0.00 -0.16 -4.92 105.19 102.06 1nvj n GLY 77 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 1nvj n GLY 77 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nvj s ARG 78 N 2.88 3.99 -0.01 1.61 0.52 -1.26 -4.59 118.95 122.09 1nvj s ARG 78 Ca 0.00 1.84 0.01 0.00 -0.52 0.00 0.00 55.73 57.06 1nvj s ARG 78 Cb 0.00 -2.62 -0.00 0.00 0.52 0.00 0.00 34.95 32.85 1nvj s ARG 78 CO 0.00 -0.38 -0.04 0.08 0.02 0.00 0.00 175.30 174.98 1nvj s VAL 79 N -1.44 0.38 -0.06 3.52 1.01 -1.08 -2.18 120.40 120.55 1nvj s VAL 79 Ca 0.58 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 62.41 1nvj s VAL 79 Cb -0.30 -0.33 0.01 0.00 0.00 0.00 0.00 36.38 35.75 1nvj s VAL 79 CO 0.38 0.12 -0.12 -0.89 0.00 0.00 0.00 175.10 174.59 1nvj s THR 80 N 0.02 1.13 -0.14 3.92 2.01 -0.12 -0.64 115.64 121.81 1nvj s THR 80 Ca 0.00 -0.48 -0.00 0.00 0.31 0.00 0.00 61.69 61.52 1nvj s THR 80 Cb -0.03 -1.03 0.03 0.00 0.01 0.00 0.00 72.50 71.48 1nvj s THR 80 CO -0.00 0.35 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.50 1nvj s VAL 81 N 0.63 1.21 -0.07 3.82 1.01 0.29 -0.15 120.40 127.15 1nvj s VAL 81 Ca -0.14 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.36 1nvj s VAL 81 Cb -0.15 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 34.97 1nvj s VAL 81 CO 0.04 0.31 -0.18 -0.63 0.00 0.00 0.00 175.10 174.63 1nvj s ILE 82 N 1.62 1.54 -0.01 2.22 1.01 -0.06 -1.33 121.20 126.19 1nvj s ILE 82 Ca 0.03 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 59.96 1nvj s ILE 82 Cb -0.14 -1.35 0.00 0.00 0.01 0.00 0.00 42.46 40.99 1nvj s ILE 82 CO -0.09 0.44 -0.04 -2.28 0.00 0.00 0.00 174.94 172.98 1nvj s HIS 83 N 0.35 0.43 0.23 3.97 2.46 -0.17 -0.68 115.29 121.88 1nvj s HIS 83 Ca -0.12 -0.08 0.02 0.00 0.47 0.00 0.00 55.06 55.35 1nvj s HIS 83 Cb -0.15 -0.32 -0.04 0.00 -0.13 0.00 0.00 32.58 31.94 1nvj s HIS 83 CO 0.05 -0.04 0.39 1.03 -2.47 0.00 0.00 174.74 173.70 1nvj s ARG 84 N 0.15 3.47 0.29 2.88 0.52 -0.02 -2.40 118.95 123.84 1nvj s ARG 84 Ca -0.01 -0.52 0.04 0.00 -0.52 0.00 0.00 55.73 54.71 1nvj s ARG 84 Cb -0.05 -2.85 -0.01 0.00 0.52 0.00 0.00 34.95 32.56 1nvj s ARG 84 CO -0.00 0.39 0.13 0.44 0.02 0.00 0.00 175.30 176.27 1nvj n ILE 85 N -1.08 0.00 -3.32 1.52 -5.35 -1.00 -4.89 119.36 105.24 1nvj n ILE 85 Ca -0.07 -1.76 0.00 0.00 -0.27 0.00 0.00 62.75 60.65 1nvj n ILE 85 Cb 0.55 0.68 0.00 0.00 -1.74 0.00 0.00 39.64 39.14 1nvj n ILE 85 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1nvj n GLY 86 N -0.08 -1.37 3.71 3.28 0.00 0.15 -4.21 105.19 106.67 1nvj n GLY 86 Ca -0.02 -1.40 -0.41 0.00 0.00 0.00 0.00 46.02 44.19 1nvj n GLY 86 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nvj s GLU 87 N 0.00 4.52 -0.07 1.61 2.12 -1.26 -1.44 118.70 124.19 1nvj s GLU 87 Ca 0.00 1.25 -0.03 0.00 0.36 0.00 0.00 54.97 56.55 1nvj s GLU 87 Cb 0.00 -3.45 0.04 0.00 0.26 0.00 0.00 34.13 30.98 1nvj s GLU 87 CO 0.00 0.00 0.15 -0.51 -0.54 0.00 0.00 175.26 174.36 1nvj s LEU 88 N 0.89 0.67 0.13 2.70 1.43 -0.25 -5.00 118.68 119.24 1nvj s LEU 88 Ca 0.47 0.30 0.05 0.00 -1.03 0.00 0.00 54.13 53.92 1nvj s LEU 88 Cb -0.20 0.36 -0.04 0.00 0.03 0.00 0.00 46.19 46.34 1nvj s LEU 88 CO 0.25 -0.16 0.09 0.26 0.23 0.00 0.00 176.35 177.02 1nvj s TRP 89 N 1.25 3.10 0.03 0.29 0.52 -1.26 -1.70 118.94 121.17 1nvj s TRP 89 Ca -0.08 -0.01 -0.39 0.00 0.02 0.00 0.00 56.10 55.64 1nvj s TRP 89 Cb -0.12 -1.53 -0.18 0.00 -1.15 0.00 0.00 33.47 30.49 1nvj s TRP 89 CO -0.06 0.51 1.21 -2.30 0.02 0.00 0.00 176.95 176.34 1nvj n PRO 90 N 0.00 0.55 0.00 4.98 -0.02 -1.26 -1.01 135.00 138.24 1nvj n PRO 90 Ca -0.09 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1nvj n PRO 90 Cb 0.54 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 1nvj n PRO 90 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nvj n GLY 91 N 2.04 3.22 3.77 -1.23 0.00 -1.02 -4.94 105.19 107.03 1nvj n GLY 91 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 1nvj n GLY 91 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nvj s ASP 92 N -0.40 6.47 -0.22 1.61 1.01 -0.18 -4.79 116.67 120.17 1nvj s ASP 92 Ca 0.00 2.68 -0.27 0.00 0.71 0.00 0.00 52.55 55.67 1nvj s ASP 92 Cb 0.00 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.29 1nvj s ASP 92 CO 0.00 -0.74 0.94 -1.61 0.21 0.00 0.00 175.17 173.97 1nvj s GLU 93 N -2.08 4.24 -0.04 8.23 2.02 -1.26 -1.84 118.70 127.97 1nvj s GLU 93 Ca 0.54 1.18 0.07 0.00 0.02 0.00 0.00 54.97 56.78 1nvj s GLU 93 Cb -0.39 -3.63 -0.10 0.00 0.10 0.00 0.00 34.13 30.11 1nvj s GLU 93 CO 0.51 -0.55 0.09 0.44 0.02 0.00 0.00 175.26 175.77 1nvj n ILE 94 N 5.22 0.26 -4.02 -1.63 -5.35 0.67 -4.79 119.36 109.72 1nvj n ILE 94 Ca 0.09 -0.24 -0.16 0.00 -0.27 0.00 0.00 62.75 62.17 1nvj n ILE 94 Cb 0.47 -0.28 -0.15 0.00 -1.74 0.00 0.00 39.64 37.94 1nvj n ILE 94 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1nvj s VAL 95 N -2.34 0.26 -0.09 7.28 0.11 -0.97 -0.84 120.40 123.80 1nvj s VAL 95 Ca -0.03 -0.06 0.00 0.00 -2.93 0.00 0.00 61.98 58.96 1nvj s VAL 95 Cb 0.03 -0.27 0.02 0.00 -1.53 0.00 0.00 36.38 34.63 1nvj s VAL 95 CO 0.30 0.11 -0.07 0.12 -3.33 0.00 0.00 175.10 172.24 1nvj s PHE 96 N 0.40 1.29 -0.13 1.54 5.36 0.15 -0.72 117.98 125.87 1nvj s PHE 96 Ca -0.04 -0.57 0.02 0.00 -0.96 0.00 0.00 56.93 55.38 1nvj s PHE 96 Cb -0.07 -1.09 0.01 0.00 -0.34 0.00 0.00 43.02 41.53 1nvj s PHE 96 CO -0.01 -0.42 -0.19 0.08 -1.46 0.00 0.00 175.22 173.22 1nvj s VAL 97 N 1.50 1.87 -0.04 3.12 1.01 -0.10 -0.88 120.40 126.88 1nvj s VAL 97 Ca 0.00 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.18 1nvj s VAL 97 Cb -0.13 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 1nvj s VAL 97 CO -0.05 0.51 -0.20 -0.83 0.00 0.00 0.00 175.10 174.53 1nvj s GLY 98 N 0.95 1.02 -0.00 4.51 0.00 0.79 -0.20 107.32 114.37 1nvj s GLY 98 Ca -0.05 -0.83 -0.05 0.00 0.00 0.00 0.00 44.72 43.80 1nvj s GLY 98 CO -0.03 -0.55 0.09 0.14 0.00 0.00 0.00 173.10 172.75 1nvj s VAL 99 N -0.19 0.07 0.13 1.40 1.01 0.13 -0.95 120.40 121.99 1nvj s VAL 99 Ca 0.01 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 61.47 1nvj s VAL 99 Cb -0.11 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.91 1nvj s VAL 99 CO 0.01 -0.31 -0.11 0.42 0.00 0.00 0.00 175.10 175.12 1nvj s THR 100 N -1.02 1.14 0.20 3.92 -4.23 -0.92 -0.88 115.64 113.84 1nvj s THR 100 Ca -0.11 -1.85 -0.23 0.00 -1.18 0.00 0.00 61.69 58.31 1nvj s THR 100 Cb -0.06 -1.63 0.05 0.00 1.34 0.00 0.00 72.50 72.20 1nvj s THR 100 CO 0.01 -0.61 0.79 -0.55 -0.54 0.00 0.00 174.62 173.71 1nvj s SER 101 N -2.79 -0.29 0.36 3.99 0.15 -0.36 -0.99 113.70 113.77 1nvj s SER 101 Ca 0.11 -0.40 0.19 0.00 0.70 0.00 0.00 55.95 56.56 1nvj s SER 101 Cb -0.01 0.60 0.52 0.00 -1.71 0.00 0.00 66.02 65.43 1nvj s SER 101 CO 0.01 -1.09 1.65 0.00 1.20 0.00 0.00 173.24 175.01 1nvj h ALA 102 N 2.00 0.88 -3.87 5.45 0.00 -1.76 -0.43 119.26 121.54 1nvj h ALA 102 Ca -0.23 -0.33 -0.53 0.00 0.00 0.00 0.00 54.91 53.82 1nvj h ALA 102 Cb 1.25 -0.06 -0.25 0.00 0.00 0.00 0.00 17.79 18.74 1nvj h ALA 102 CO 0.27 0.45 -0.82 -1.58 0.00 0.00 0.00 179.25 177.57 1nvj s HIS 103 N -3.37 1.59 0.35 0.00 5.65 -1.26 -4.52 115.29 113.74 1nvj s HIS 103 Ca 0.02 -0.38 0.06 0.00 0.25 0.00 0.00 55.06 55.01 1nvj s HIS 103 Cb 0.09 -0.93 0.66 0.00 -1.18 0.00 0.00 32.58 31.22 1nvj s HIS 103 CO 0.69 0.09 1.90 0.07 -0.65 0.00 0.00 174.74 176.84 1nvj h ARG 104 N 4.73 0.46 -0.68 2.88 0.11 -1.93 -3.09 114.38 116.86 1nvj h ARG 104 Ca -0.42 -0.09 -0.04 0.00 0.10 0.00 0.00 59.98 59.53 1nvj h ARG 104 Cb 1.17 -0.07 -0.03 0.00 1.11 0.00 0.00 29.97 32.15 1nvj h ARG 104 CO 0.43 0.50 0.29 0.66 0.10 0.00 0.00 179.97 181.94 1nvj h SER 105 N 0.44 0.92 -0.37 0.08 4.64 -1.99 1.00 113.55 118.27 1nvj h SER 105 Ca 0.10 -0.16 -0.01 0.00 -0.47 0.00 0.00 61.79 61.24 1nvj h SER 105 Cb 0.31 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 1nvj h SER 105 CO 0.01 0.83 0.20 0.28 -0.87 0.00 0.00 176.83 177.28 1nvj h SER 106 N 0.96 0.47 -0.75 4.97 0.02 -1.96 -0.75 113.55 116.51 1nvj h SER 106 Ca 0.23 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 1nvj h SER 106 Cb 0.19 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 1nvj h SER 106 CO -0.02 0.43 0.32 0.00 -1.14 0.00 0.00 176.83 176.43 1nvj h ALA 107 N 1.05 0.97 -0.39 3.77 0.00 -1.32 -0.56 119.26 122.79 1nvj h ALA 107 Ca 0.13 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1nvj h ALA 107 Cb 0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1nvj h ALA 107 CO -0.02 0.57 0.01 0.74 0.00 0.00 0.00 179.25 180.55 1nvj h PHE 108 N 1.07 0.75 0.29 0.00 0.05 -0.53 -1.73 116.94 116.84 1nvj h PHE 108 Ca 0.25 -0.13 -0.01 0.00 3.82 0.00 0.00 57.97 61.90 1nvj h PHE 108 Cb 0.18 -0.20 0.00 0.00 2.00 0.00 0.00 35.95 37.93 1nvj h PHE 108 CO 0.01 0.77 -0.14 0.93 -0.18 0.00 0.00 178.31 179.70 1nvj h GLU 109 N 0.52 -0.38 -0.58 1.51 4.39 -0.98 -2.50 114.58 116.55 1nvj h GLU 109 Ca 0.11 0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.85 1nvj h GLU 109 Cb 0.46 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.17 1nvj h GLU 109 CO 0.02 -0.18 0.38 0.00 -1.16 0.00 0.00 179.01 178.07 1nvj h ALA 110 N 0.19 0.74 -0.65 3.43 0.00 -1.12 -0.54 119.26 121.32 1nvj h ALA 110 Ca -0.04 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1nvj h ALA 110 Cb 0.37 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1nvj h ALA 110 CO 0.07 0.16 0.38 0.78 0.00 0.00 0.00 179.25 180.63 1nvj h GLY 111 N 0.77 0.93 1.01 0.00 0.00 -1.29 0.58 103.07 105.08 1nvj h GLY 111 Ca 0.22 -0.28 -0.10 0.00 0.00 0.00 0.00 47.33 47.17 1nvj h GLY 111 CO -0.06 0.21 -0.10 1.46 0.00 0.00 0.00 176.54 178.05 1nvj h GLN 112 N 0.73 0.85 -0.57 4.80 4.20 -1.24 -2.36 115.11 121.51 1nvj h GLN 112 Ca 0.27 -0.32 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 1nvj h GLN 112 Cb 0.09 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 1nvj h GLN 112 CO -0.14 0.95 0.29 0.35 -0.67 0.00 0.00 178.83 179.61 1nvj h PHE 113 N 0.68 0.80 -0.44 2.96 3.57 -0.70 0.75 116.94 124.56 1nvj h PHE 113 Ca 0.11 -0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.48 1nvj h PHE 113 Cb 0.64 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 1nvj h PHE 113 CO 0.05 0.60 -0.11 0.82 -2.23 0.00 0.00 178.31 177.45 1nvj h ILE 114 N 0.76 1.27 0.09 1.41 2.04 -0.84 -1.34 117.51 120.91 1nvj h ILE 114 Ca 0.20 -1.22 -0.00 0.00 1.00 0.00 0.00 64.86 64.83 1nvj h ILE 114 Cb 0.09 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1nvj h ILE 114 CO -0.03 0.42 -0.04 0.24 0.00 0.00 0.00 178.15 178.73 1nvj h MET 115 N 0.69 -0.12 -0.47 2.37 2.86 -1.30 -0.91 114.93 118.05 1nvj h MET 115 Ca 0.11 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.79 1nvj h MET 115 Cb 0.65 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.30 1nvj h MET 115 CO 0.04 -0.07 0.25 -0.44 1.06 0.00 0.00 176.91 177.75 1nvj h ASP 116 N -0.14 0.38 0.03 1.22 3.32 -0.63 -1.69 116.42 118.91 1nvj h ASP 116 Ca -0.01 0.02 -0.25 0.00 0.02 0.00 0.00 57.03 56.81 1nvj h ASP 116 Cb 0.11 -0.06 0.02 0.00 0.22 0.00 0.00 39.33 39.62 1nvj h ASP 116 CO 0.02 0.27 -0.96 1.88 -1.72 0.00 0.00 179.24 178.73 1nvj h TYR 117 N 0.50 0.97 -0.50 4.55 0.05 -1.27 -2.60 116.97 118.67 1nvj h TYR 117 Ca 0.20 -0.50 -0.06 0.00 0.05 0.00 0.00 58.73 58.42 1nvj h TYR 117 Cb 0.08 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 37.68 1nvj h TYR 117 CO -0.09 1.33 0.06 1.37 -1.05 0.00 0.00 178.16 179.79 1nvj h LEU 118 N 0.40 0.74 -0.79 3.88 8.10 -1.04 -0.24 115.31 126.36 1nvj h LEU 118 Ca -0.10 -0.15 -0.13 0.00 0.11 0.00 0.00 57.88 57.61 1nvj h LEU 118 Cb 1.60 -0.20 -0.02 0.00 -0.44 0.00 0.00 40.66 41.61 1nvj h LEU 118 CO 0.19 0.77 -0.59 0.11 -4.11 0.00 0.00 178.44 174.81 1nvj h LYS 119 N 0.75 0.06 0.00 0.17 1.79 -1.25 -1.15 116.57 116.93 1nvj h LYS 119 Ca 0.16 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 1nvj h LYS 119 Cb 0.36 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 1nvj h LYS 119 CO 0.01 0.63 -1.16 0.25 -1.08 0.00 0.00 179.45 178.10 1nvj n THR 120 N -3.85 0.03 0.00 -0.16 -2.24 -0.99 -4.70 114.28 102.37 1nvj n THR 120 Ca -0.01 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1nvj n THR 120 Cb 0.59 0.61 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 1nvj n THR 120 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1nvj n ARG 121 N -1.73 3.33 -2.65 -0.78 5.12 -0.12 -5.07 116.66 114.77 1nvj n ARG 121 Ca 0.02 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.56 1nvj n ARG 121 Cb 0.40 -0.71 -0.05 0.00 -1.16 0.00 0.00 32.46 30.93 1nvj n ARG 121 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1nvj s ALA 122 N -0.89 3.24 -0.97 7.54 0.00 -0.44 -4.92 121.76 125.33 1nvj s ALA 122 Ca 0.00 0.66 -0.24 0.00 0.00 0.00 0.00 51.96 52.39 1nvj s ALA 122 Cb 0.00 -3.24 -0.02 0.00 0.00 0.00 0.00 23.12 19.86 1nvj s ALA 122 CO 0.00 0.01 1.80 -1.25 0.00 0.00 0.00 175.76 176.32 1nvj s PRO 123 N -1.88 2.89 0.03 0.00 0.05 -1.26 -4.88 135.00 129.94 1nvj s PRO 123 Ca 0.49 -0.64 0.04 0.00 0.05 0.00 0.00 61.00 60.94 1nvj s PRO 123 Cb -0.24 -5.17 -0.02 0.00 0.05 0.00 0.00 34.50 29.12 1nvj s PRO 123 CO 0.30 -3.05 -0.11 -0.06 0.05 0.00 0.00 177.00 174.13 1nvj s PHE 124 N 8.51 0.96 0.10 0.56 0.40 -1.26 -3.53 117.98 123.71 1nvj s PHE 124 Ca 0.63 -0.32 -0.17 0.00 -0.60 0.00 0.00 56.93 56.47 1nvj s PHE 124 Cb -0.04 -0.58 0.04 0.00 0.51 0.00 0.00 43.02 42.95 1nvj s PHE 124 CO -0.02 -0.00 0.40 1.67 0.70 0.00 0.00 175.22 177.97 1nvj s TRP 125 N -0.77 -0.22 0.27 0.36 -2.14 -0.86 -4.99 118.94 110.58 1nvj s TRP 125 Ca -0.00 0.01 -0.29 0.00 2.66 0.00 0.00 56.10 58.47 1nvj s TRP 125 Cb -0.07 0.24 -0.09 0.00 -3.10 0.00 0.00 33.47 30.45 1nvj s TRP 125 CO 0.01 -0.65 1.03 0.15 -2.66 0.00 0.00 176.95 174.83 1nvj s LYS 126 N -3.33 4.70 -0.42 3.25 1.02 -1.26 -0.38 119.74 123.33 1nvj s LYS 126 Ca 0.00 1.66 -0.27 0.00 0.02 0.00 0.00 55.97 57.38 1nvj s LYS 126 Cb 0.01 -3.19 -0.07 0.00 -0.52 0.00 0.00 37.83 34.06 1nvj s LYS 126 CO -0.09 0.32 2.36 -2.13 -0.92 0.00 0.00 175.35 174.89 1nvj n ARG 127 N 1.23 1.30 0.00 1.68 0.63 0.15 -4.88 116.66 116.77 1nvj n ARG 127 Ca -0.01 0.18 0.00 0.00 -0.92 0.00 0.00 57.85 57.10 1nvj n ARG 127 Cb 0.46 -3.26 0.00 0.00 0.45 0.00 0.00 32.46 30.11 1nvj n ARG 127 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51