#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 3.73 -0.10 0.00 2.02 -1.26 -4.81 118.70 118.27 1nvj s GLU 3 Ca 0.00 0.93 0.04 0.00 0.02 0.00 0.00 54.97 55.95 1nvj s GLU 3 Cb 0.00 -2.10 -0.00 0.00 0.10 0.00 0.00 34.13 32.13 1nvj s GLU 3 CO 0.00 -0.46 -0.23 0.99 0.02 0.00 0.00 175.26 175.58 1nvj s THR 4 N -2.78 2.16 -0.29 3.63 2.01 -1.26 -2.52 115.64 116.59 1nvj s THR 4 Ca 0.58 -0.99 -0.06 0.00 0.31 0.00 0.00 61.69 61.53 1nvj s THR 4 Cb -0.11 -1.83 0.01 0.00 0.01 0.00 0.00 72.50 70.58 1nvj s THR 4 CO 0.39 0.56 0.06 -0.75 -0.69 0.00 0.00 174.62 174.20 1nvj s LYS 5 N 0.28 3.06 -0.17 4.92 2.20 -0.43 -5.01 119.74 124.59 1nvj s LYS 5 Ca -0.16 -0.87 0.01 0.00 -0.36 0.00 0.00 55.97 54.59 1nvj s LYS 5 Cb -0.17 -3.32 0.02 0.00 -1.51 0.00 0.00 37.83 32.84 1nvj s LYS 5 CO 0.08 -0.44 -0.19 0.42 -0.36 0.00 0.00 175.35 174.86 1nvj s ILE 6 N 1.48 2.16 -0.04 5.43 -1.09 -1.26 -0.49 121.20 127.40 1nvj s ILE 6 Ca 0.02 -0.92 0.00 0.00 -2.23 0.00 0.00 60.65 57.53 1nvj s ILE 6 Cb -0.17 -1.90 0.03 0.00 -1.58 0.00 0.00 42.46 38.83 1nvj s ILE 6 CO 0.02 0.53 -0.00 -0.69 -1.23 0.00 0.00 174.94 173.57 1nvj s VAL 7 N 1.17 0.27 -0.09 2.92 1.01 -0.57 -5.02 120.40 120.09 1nvj s VAL 7 Ca 0.02 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.09 1nvj s VAL 7 Cb -0.14 -0.37 0.01 0.00 0.00 0.00 0.00 36.38 35.89 1nvj s VAL 7 CO -0.09 0.18 -0.14 -0.69 0.00 0.00 0.00 175.10 174.36 1nvj s VAL 8 N 1.24 1.34 -0.10 2.92 1.01 -1.26 -1.17 120.40 124.38 1nvj s VAL 8 Ca -0.06 -0.56 -0.33 0.00 0.00 0.00 0.00 61.98 61.03 1nvj s VAL 8 Cb -0.13 -1.23 0.13 0.00 0.00 0.00 0.00 36.38 35.15 1nvj s VAL 8 CO -0.02 0.41 1.31 -0.83 0.00 0.00 0.00 175.10 175.97 1nvj s GLY 9 N 0.95 -0.38 0.41 4.51 0.00 -1.00 -5.01 107.32 106.81 1nvj s GLY 9 Ca -0.08 1.10 0.25 0.00 0.00 0.00 0.00 44.72 45.98 1nvj s GLY 9 CO -0.00 0.28 1.68 -0.56 0.00 0.00 0.00 173.10 174.51 1nvj h PRO 10 N 2.00 0.00 -6.90 2.90 0.13 -1.89 -2.20 132.00 126.04 1nvj h PRO 10 Ca -0.23 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.37 1nvj h PRO 10 Cb 1.18 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.39 1nvj h PRO 10 CO 0.26 0.00 0.67 -0.65 -0.23 0.00 0.00 178.00 178.06 1nvj s GLN 11 N -3.25 4.28 0.44 0.86 1.11 -1.26 -4.71 119.66 117.13 1nvj s GLN 11 Ca 0.07 2.31 -0.25 0.00 0.01 0.00 0.00 55.36 57.50 1nvj s GLN 11 Cb 0.07 -3.03 -0.09 0.00 -1.01 0.00 0.00 33.01 28.94 1nvj s GLN 11 CO 0.64 -0.29 1.22 -2.30 0.01 0.00 0.00 175.29 174.57 1nvj n PRO 12 N 0.68 1.77 -3.51 2.91 -0.02 -1.26 -4.88 135.00 130.70 1nvj n PRO 12 Ca 0.00 0.63 -0.20 0.00 -2.02 0.00 0.00 63.50 61.92 1nvj n PRO 12 Cb 0.41 -2.34 -0.02 0.00 -0.02 0.00 0.00 33.50 31.54 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 -1.23 2.84 -0.05 6.00 -0.12 -1.26 -5.14 117.98 119.02 1nvj s PHE 13 Ca 0.63 -0.38 0.02 0.00 -0.05 0.00 0.00 56.93 57.14 1nvj s PHE 13 Cb -0.50 -2.08 0.02 0.00 -0.63 0.00 0.00 43.02 39.82 1nvj s PHE 13 CO 0.57 -0.08 -0.07 0.45 -0.05 0.00 0.00 175.22 176.03 1nvj s SER 14 N -4.14 1.22 0.33 1.98 0.15 -1.26 -5.03 113.70 106.95 1nvj s SER 14 Ca 0.47 -0.19 0.06 0.00 0.70 0.00 0.00 55.95 56.99 1nvj s SER 14 Cb -0.06 -0.56 0.59 0.00 -1.71 0.00 0.00 66.02 64.28 1nvj s SER 14 CO 0.29 -0.01 1.83 0.58 1.20 0.00 0.00 173.24 177.12 1nvj h VAL 15 N 6.02 1.22 0.00 4.45 2.07 -2.00 -2.35 116.25 125.66 1nvj h VAL 15 Ca -0.35 -1.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.13 1nvj h VAL 15 Cb 1.17 1.22 -0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1nvj h VAL 15 CO 0.48 0.32 -0.16 1.23 0.02 0.00 0.00 177.57 179.45 1nvj h GLY 16 N 0.90 0.00 1.83 2.17 0.00 -2.00 -0.52 103.07 105.45 1nvj h GLY 16 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.16 1nvj h GLY 16 CO 0.03 0.00 -1.08 0.83 0.00 0.00 0.00 176.54 176.32 1nvj h GLU 17 N 0.00 0.13 0.02 4.80 5.08 -1.86 -3.38 114.58 119.37 1nvj h GLU 17 Ca -0.00 -0.21 -0.27 0.00 -1.00 0.00 0.00 59.36 57.88 1nvj h GLU 17 Cb 0.31 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 1nvj h GLU 17 CO 0.02 1.08 -1.45 0.93 -1.00 0.00 0.00 179.01 178.60 1nvj h GLU 18 N 0.04 0.05 -0.24 2.33 4.39 -1.14 -3.40 114.58 116.61 1nvj h GLU 18 Ca -0.06 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.53 1nvj h GLU 18 Cb 1.82 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 30.49 1nvj h GLU 18 CO 0.16 0.79 0.05 -0.92 -1.16 0.00 0.00 179.01 177.93 1nvj h TYR 19 N 0.01 0.40 -0.33 4.33 3.20 -1.28 -2.67 116.97 120.63 1nvj h TYR 19 Ca -0.19 -0.05 0.07 0.00 3.14 0.00 0.00 58.73 61.71 1nvj h TYR 19 Cb 1.93 -0.11 -0.08 0.00 1.54 0.00 0.00 36.73 40.01 1nvj h TYR 19 CO 0.01 0.49 -0.20 -1.35 -1.64 0.00 0.00 178.16 175.47 1nvj h PRO 20 N 0.20 -0.15 -0.19 1.82 0.11 -1.77 -0.61 132.00 131.41 1nvj h PRO 20 Ca 0.07 0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.22 1nvj h PRO 20 Cb 0.29 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.41 1nvj h PRO 20 CO 0.00 -0.10 0.03 2.35 -0.21 0.00 0.00 178.00 180.07 1nvj h TRP 21 N -0.16 0.05 -0.86 0.65 7.01 -1.80 -2.45 115.95 118.39 1nvj h TRP 21 Ca 0.17 0.01 0.14 0.00 2.11 0.00 0.00 58.89 61.33 1nvj h TRP 21 Cb 0.42 0.00 -0.09 0.00 -2.10 0.00 0.00 29.16 27.39 1nvj h TRP 21 CO -0.40 0.01 0.46 1.25 -2.79 0.00 0.00 178.44 176.97 1nvj h LEU 22 N 0.11 0.57 -2.98 0.65 5.85 -0.98 -2.79 115.31 115.75 1nvj h LEU 22 Ca 0.09 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1nvj h LEU 22 Cb 0.08 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.10 1nvj h LEU 22 CO -0.12 0.25 0.00 0.00 -0.34 0.00 0.00 178.44 178.23 1nvj n ALA 23 N -2.41 2.78 -0.06 1.25 0.00 -0.32 -4.68 120.51 117.07 1nvj n ALA 23 Ca 0.17 -1.48 -0.12 0.00 0.00 0.00 0.00 53.44 52.01 1nvj n ALA 23 Cb 0.43 -0.96 -0.06 0.00 0.00 0.00 0.00 19.45 18.85 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 4.13 0.33 -6.48 0.00 4.81 -1.15 -3.45 114.58 112.78 1nvj h GLU 24 Ca 0.00 -0.14 -0.53 0.00 -0.13 0.00 0.00 59.36 58.55 1nvj h GLU 24 Cb 1.25 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.63 1nvj h GLU 24 CO 0.13 0.65 0.66 1.03 -0.73 0.00 0.00 179.01 180.75 1nvj s ARG 25 N -4.58 4.37 0.48 1.92 0.52 -1.26 -4.93 118.95 115.46 1nvj s ARG 25 Ca -0.14 1.89 0.16 0.00 -0.52 0.00 0.00 55.73 57.13 1nvj s ARG 25 Cb 0.06 -3.36 1.13 0.00 0.52 0.00 0.00 34.95 33.30 1nvj s ARG 25 CO 0.74 -0.37 2.04 -0.44 0.02 0.00 0.00 175.30 177.29 1nvj h ASP 26 N 6.99 0.00 0.59 0.23 5.19 -2.01 -2.14 116.42 125.27 1nvj h ASP 26 Ca -0.41 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 55.95 1nvj h ASP 26 Cb 1.20 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.71 1nvj h ASP 26 CO 0.85 0.13 -0.24 1.05 -3.12 0.00 0.00 179.24 177.91 1nvj h GLU 27 N 0.00 0.00 -4.38 3.56 9.09 -1.98 -3.34 114.58 117.53 1nvj h GLU 27 Ca -0.00 0.00 -0.73 0.00 0.05 0.00 0.00 59.36 58.68 1nvj h GLU 27 Cb 0.24 0.00 -0.12 0.00 -1.65 0.00 0.00 28.75 27.22 1nvj h GLU 27 CO 0.02 0.24 2.14 -0.25 0.05 0.00 0.00 179.01 181.20 1nvj n ASP 28 N -3.64 4.82 0.05 3.06 8.00 -0.80 -4.26 116.55 123.78 1nvj n ASP 28 Ca -0.01 -2.98 0.12 0.00 0.71 0.00 0.00 54.79 52.63 1nvj n ASP 28 Cb 0.36 -1.59 0.47 0.00 -0.02 0.00 0.00 41.12 40.34 1nvj n ASP 28 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nvj n GLY 29 N 3.91 -1.43 3.01 0.44 0.00 -1.18 -4.66 105.19 105.28 1nvj n GLY 29 Ca 0.43 -0.04 -0.26 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.09 1.36 -0.13 4.61 0.00 -0.16 -5.01 121.76 119.34 1nvj s ALA 30 Ca 0.10 -0.51 -0.00 0.00 0.00 0.00 0.00 51.96 51.55 1nvj s ALA 30 Cb 0.13 -0.69 0.02 0.00 0.00 0.00 0.00 23.12 22.58 1nvj s ALA 30 CO 0.48 -0.04 -0.11 0.08 0.00 0.00 0.00 175.76 176.17 1nvj s VAL 31 N 0.95 1.30 -0.11 0.00 1.01 -1.26 -1.45 120.40 120.84 1nvj s VAL 31 Ca -0.09 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.44 1nvj s VAL 31 Cb -0.15 -1.26 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 1nvj s VAL 31 CO 0.00 0.41 -0.14 -0.69 0.00 0.00 0.00 175.10 174.68 1nvj s VAL 32 N 1.60 2.98 0.14 2.92 1.01 -0.08 -5.00 120.40 123.96 1nvj s VAL 32 Ca 0.05 -0.71 0.11 0.00 0.00 0.00 0.00 61.98 61.43 1nvj s VAL 32 Cb -0.13 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 1nvj s VAL 32 CO -0.09 0.54 -0.25 0.42 0.00 0.00 0.00 175.10 175.72 1nvj s THR 33 N 0.06 2.18 -0.07 3.92 -4.23 -1.26 -0.86 115.64 115.38 1nvj s THR 33 Ca -0.06 -1.78 0.03 0.00 -1.18 0.00 0.00 61.69 58.70 1nvj s THR 33 Cb -0.15 -1.95 0.01 0.00 1.34 0.00 0.00 72.50 71.75 1nvj s THR 33 CO 0.05 0.02 -0.15 0.12 -0.54 0.00 0.00 174.62 174.12 1nvj s PHE 34 N -1.20 1.68 -0.14 3.99 5.36 0.30 -5.00 117.98 122.96 1nvj s PHE 34 Ca 0.14 -0.63 0.02 0.00 -0.96 0.00 0.00 56.93 55.50 1nvj s PHE 34 Cb -0.10 -1.19 0.01 0.00 -0.34 0.00 0.00 43.02 41.40 1nvj s PHE 34 CO 0.06 -0.30 -0.21 0.99 -1.46 0.00 0.00 175.22 174.31 1nvj s THR 35 N 0.56 2.20 -0.03 0.12 2.01 -1.26 -0.85 115.64 118.40 1nvj s THR 35 Ca -0.15 -0.94 0.00 0.00 0.31 0.00 0.00 61.69 60.92 1nvj s THR 35 Cb -0.16 -1.89 -0.03 0.00 0.01 0.00 0.00 72.50 70.43 1nvj s THR 35 CO 0.05 0.54 0.00 -0.83 -0.69 0.00 0.00 174.62 173.69 1nvj s GLY 36 N 0.75 1.86 0.26 4.40 0.00 -0.39 -5.00 107.32 109.20 1nvj s GLY 36 Ca -0.08 -0.90 0.11 0.00 0.00 0.00 0.00 44.72 43.85 1nvj s GLY 36 CO -0.00 -0.73 -0.20 0.54 0.00 0.00 0.00 173.10 172.70 1nvj s LYS 37 N -1.32 1.61 0.01 2.90 1.02 -1.26 -1.12 119.74 121.59 1nvj s LYS 37 Ca 0.17 -1.70 -0.30 0.00 0.02 0.00 0.00 55.97 54.16 1nvj s LYS 37 Cb -0.11 -1.72 -0.07 0.00 -0.52 0.00 0.00 37.83 35.41 1nvj s LYS 37 CO 0.07 0.33 1.64 0.08 -0.92 0.00 0.00 175.35 176.55 1nvj s VAL 38 N -2.38 3.32 0.70 3.17 1.01 -0.29 -4.89 120.40 121.05 1nvj s VAL 38 Ca 0.27 0.62 -0.11 0.00 0.00 0.00 0.00 61.98 62.76 1nvj s VAL 38 Cb -0.05 -3.40 0.01 0.00 0.00 0.00 0.00 36.38 32.94 1nvj s VAL 38 CO 0.13 -0.02 1.07 -0.13 0.00 0.00 0.00 175.10 176.14 1nvj s ARG 39 N 3.21 2.88 -0.15 2.72 1.81 -1.26 -2.02 118.95 126.14 1nvj s ARG 39 Ca 0.73 0.80 -0.37 0.00 -1.72 0.00 0.00 55.73 55.17 1nvj s ARG 39 Cb -0.36 -2.00 -0.14 0.00 -0.45 0.00 0.00 34.95 32.00 1nvj s ARG 39 CO 0.31 -1.10 1.80 0.09 -0.68 0.00 0.00 175.30 175.72 1nvj n ASN 40 N -3.11 2.95 -1.34 0.23 3.02 -1.26 -4.64 115.26 111.11 1nvj n ASN 40 Ca 0.07 1.02 0.00 0.00 -0.03 0.00 0.00 54.58 55.64 1nvj n ASN 40 Cb 0.55 -1.27 0.00 0.00 -0.61 0.00 0.00 39.78 38.44 1nvj n ASN 40 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1nvj n ASN 48 N 5.88 -2.74 -4.98 6.41 0.23 -1.26 -5.11 115.26 113.69 1nvj n ASN 48 Ca 0.24 0.60 -0.20 0.00 -0.53 0.00 0.00 54.58 54.70 1nvj n ASN 48 Cb 0.22 -2.62 0.02 0.00 -2.08 0.00 0.00 39.78 35.33 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 -2.63 4.51 -0.05 -2.53 0.00 -1.26 -4.82 121.76 114.97 1nvj s ALA 49 Ca 0.00 -1.84 0.05 0.00 0.00 0.00 0.00 51.96 50.17 1nvj s ALA 49 Cb 0.00 -1.36 -0.01 0.00 0.00 0.00 0.00 23.12 21.75 1nvj s ALA 49 CO 0.00 -0.50 -0.21 -0.48 0.00 0.00 0.00 175.76 174.56 1nvj s LEU 50 N -4.42 2.00 -0.54 0.00 2.34 -0.92 -4.96 118.68 112.18 1nvj s LEU 50 Ca 0.54 -0.44 -0.14 0.00 0.06 0.00 0.00 54.13 54.14 1nvj s LEU 50 Cb -0.06 -1.20 0.13 0.00 -0.56 0.00 0.00 46.19 44.50 1nvj s LEU 50 CO 0.33 0.20 0.48 -0.89 -1.06 0.00 0.00 176.35 175.41 1nvj s THR 51 N -0.03 5.00 0.14 5.48 2.01 -1.14 -1.63 115.64 125.46 1nvj s THR 51 Ca -0.05 -1.62 -0.30 0.00 0.31 0.00 0.00 61.69 60.03 1nvj s THR 51 Cb -0.13 -4.21 -0.07 0.00 0.01 0.00 0.00 72.50 68.10 1nvj s THR 51 CO 0.03 -0.86 0.97 -0.22 -0.69 0.00 0.00 174.62 173.86 1nvj s LEU 52 N 1.47 4.52 0.14 4.42 0.20 -0.66 -2.15 118.68 126.62 1nvj s LEU 52 Ca 0.04 1.86 0.09 0.00 0.69 0.00 0.00 54.13 56.81 1nvj s LEU 52 Cb -0.28 -3.59 -0.04 0.00 -0.43 0.00 0.00 46.19 41.85 1nvj s LEU 52 CO 0.02 -0.04 -0.20 -0.70 -0.29 0.00 0.00 176.35 175.13 1nvj s GLU 53 N -0.25 1.26 0.39 1.98 2.56 -0.03 -0.49 118.70 124.11 1nvj s GLU 53 Ca 0.46 -1.33 0.08 0.00 0.00 0.00 0.00 54.97 54.18 1nvj s GLU 53 Cb -0.24 -1.45 -0.06 0.00 2.00 0.00 0.00 34.13 34.37 1nvj s GLU 53 CO 0.31 0.32 0.04 -3.38 -0.56 0.00 0.00 175.26 171.99 1nvj s HIS 54 N -1.62 2.53 -0.58 5.30 -3.43 -1.26 -1.36 115.29 114.87 1nvj s HIS 54 Ca 0.13 -0.57 -0.17 0.00 -0.80 0.00 0.00 55.06 53.65 1nvj s HIS 54 Cb -0.08 -1.71 0.12 0.00 -1.43 0.00 0.00 32.58 29.49 1nvj s HIS 54 CO 0.06 0.40 0.60 0.71 -2.00 0.00 0.00 174.74 174.52 1nvj s TYR 55 N -2.62 3.18 -0.45 0.38 1.51 -1.26 -4.92 117.35 113.16 1nvj s TYR 55 Ca 0.36 -1.21 -0.46 0.00 -1.01 0.00 0.00 57.07 54.76 1nvj s TYR 55 Cb 0.05 -3.89 -0.20 0.00 -0.11 0.00 0.00 41.96 37.81 1nvj s TYR 55 CO 0.19 -1.13 1.57 -2.30 -1.11 0.00 0.00 175.55 172.78 1nvj n PRO 56 N 5.61 0.08 0.00 -1.71 -0.02 -1.26 -2.02 135.00 135.68 1nvj n PRO 56 Ca -0.10 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 1nvj n PRO 56 Cb 0.41 -1.54 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 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 3.85 2.09 0.11 -1.23 0.00 -1.26 -4.74 105.19 104.01 1nvj n GLY 57 Ca 0.30 -0.45 0.10 0.00 0.00 0.00 0.00 46.02 45.97 1nvj n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nvj h MET 58 N 0.00 0.00 0.02 1.61 -0.00 -1.84 -2.33 114.93 112.40 1nvj h MET 58 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 59.70 59.46 1nvj h MET 58 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 31.57 1nvj h MET 58 CO 0.00 0.05 -1.20 1.79 -0.00 0.00 0.00 176.91 177.56 1nvj h THR 59 N 0.00 1.49 -0.66 -0.10 1.35 -1.75 -2.28 112.91 110.97 1nvj h THR 59 Ca -0.03 -3.21 0.01 0.00 -0.55 0.00 0.00 66.41 62.63 1nvj h THR 59 Cb 1.10 2.77 -0.03 0.00 -1.73 0.00 0.00 68.15 70.26 1nvj h THR 59 CO 0.01 0.87 0.43 -0.33 -0.25 0.00 0.00 175.52 176.25 1nvj h GLU 60 N 0.01 0.85 -0.81 4.72 3.07 -1.83 -2.03 114.58 118.57 1nvj h GLU 60 Ca -0.09 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 58.69 1nvj h GLU 60 Cb 1.85 -0.19 -0.04 0.00 -0.84 0.00 0.00 28.75 29.53 1nvj h GLU 60 CO 0.13 0.57 0.40 -0.22 -1.40 0.00 0.00 179.01 178.48 1nvj h LYS 61 N 0.88 1.16 -0.46 2.33 3.64 -1.37 -1.55 116.57 121.20 1nvj h LYS 61 Ca 0.24 -0.16 -0.08 0.00 -1.27 0.00 0.00 60.65 59.38 1nvj h LYS 61 Cb -0.09 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.50 1nvj h LYS 61 CO -0.06 0.89 -0.05 0.00 -2.27 0.00 0.00 179.45 177.95 1nvj h ALA 62 N 1.28 1.04 -0.42 5.00 0.00 -1.18 -1.44 119.26 123.54 1nvj h ALA 62 Ca 0.28 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1nvj h ALA 62 Cb 0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1nvj h ALA 62 CO -0.04 0.59 -0.25 -0.07 0.00 0.00 0.00 179.25 179.48 1nvj h LEU 63 N 0.73 0.90 -0.96 0.00 3.38 -0.93 -1.35 115.31 117.08 1nvj h LEU 63 Ca 0.13 -0.35 -0.09 0.00 0.09 0.00 0.00 57.88 57.66 1nvj h LEU 63 Cb 0.52 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1nvj h LEU 63 CO 0.03 1.10 -0.25 0.00 0.09 0.00 0.00 178.44 179.41 1nvj h ALA 64 N 0.96 1.13 -0.12 1.53 0.00 -0.95 -1.05 119.26 120.76 1nvj h ALA 64 Ca 0.09 -0.34 -0.20 0.00 0.00 0.00 0.00 54.91 54.46 1nvj h ALA 64 Cb 0.80 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1nvj h ALA 64 CO 0.07 0.55 -0.74 0.93 0.00 0.00 0.00 179.25 180.05 1nvj h GLU 65 N 0.41 0.58 -0.53 0.00 5.08 -1.09 -0.26 114.58 118.76 1nvj h GLU 65 Ca 0.06 -0.47 -0.01 0.00 -1.00 0.00 0.00 59.36 57.94 1nvj h GLU 65 Cb 0.66 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1nvj h GLU 65 CO 0.05 1.09 0.28 0.82 -1.00 0.00 0.00 179.01 180.25 1nvj h ILE 66 N 0.40 1.18 -0.68 3.13 2.04 -0.94 -1.66 117.51 120.98 1nvj h ILE 66 Ca -0.04 -0.48 -0.06 0.00 1.00 0.00 0.00 64.86 65.28 1nvj h ILE 66 Cb 1.34 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 1nvj h ILE 66 CO 0.14 0.20 0.18 0.58 0.00 0.00 0.00 178.15 179.25 1nvj h VAL 67 N 0.71 1.26 -0.58 1.67 2.07 -1.04 -1.57 116.25 118.78 1nvj h VAL 67 Ca 0.19 -0.94 -0.03 0.00 0.82 0.00 0.00 66.70 66.74 1nvj h VAL 67 Cb 0.06 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 1nvj h VAL 67 CO -0.03 0.36 0.25 0.44 0.02 0.00 0.00 177.57 178.61 1nvj h ASP 68 N 1.02 0.79 -0.31 0.57 3.45 -0.85 -1.20 116.42 119.88 1nvj h ASP 68 Ca 0.22 -0.16 -0.02 0.00 0.43 0.00 0.00 57.03 57.50 1nvj h ASP 68 Cb 0.35 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 38.90 1nvj h ASP 68 CO 0.00 0.73 0.14 -0.08 -1.57 0.00 0.00 179.24 178.46 1nvj h GLU 69 N 0.80 0.51 -0.35 3.56 4.57 -1.06 -1.66 114.58 120.95 1nvj h GLU 69 Ca 0.20 -0.06 -0.12 0.00 -1.18 0.00 0.00 59.36 58.19 1nvj h GLU 69 Cb 0.18 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 1nvj h GLU 69 CO -0.02 0.43 -0.27 0.00 -1.18 0.00 0.00 179.01 177.98 1nvj h ALA 70 N 1.65 0.87 0.00 2.92 0.00 -0.45 -2.77 119.26 121.48 1nvj h ALA 70 Ca 0.13 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1nvj h ALA 70 Cb 0.11 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1nvj h ALA 70 CO -0.01 0.63 -0.27 0.00 0.00 0.00 0.00 179.25 179.60 1nvj h ARG 71 N 0.62 0.00 0.00 0.00 3.08 -0.51 -1.18 114.38 116.39 1nvj h ARG 71 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1nvj h ARG 71 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.82 1nvj h ARG 71 CO 0.06 0.27 0.00 -0.91 -1.07 0.00 0.00 179.97 178.32 1nvj h ASN 72 N 0.00 0.00 0.00 7.04 -0.26 -1.04 -3.34 115.58 117.98 1nvj h ASN 72 Ca -0.00 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.73 1nvj h ASN 72 Cb 0.59 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.85 1nvj h ASN 72 CO 0.04 0.00 -1.51 0.54 -1.06 0.00 0.00 177.43 175.44 1nvj n ARG 73 N -2.49 0.37 -4.00 0.81 1.74 -0.72 -5.03 116.66 107.35 1nvj n ARG 73 Ca 0.04 -0.10 -0.11 0.00 -0.77 0.00 0.00 57.85 56.91 1nvj n ARG 73 Cb 0.36 -1.26 -0.12 0.00 -1.02 0.00 0.00 32.46 30.42 1nvj n ARG 73 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1nvj s TRP 74 N -2.76 0.34 -0.97 -1.55 0.51 -0.53 -5.09 118.94 108.90 1nvj s TRP 74 Ca -0.04 -0.45 -0.24 0.00 -2.12 0.00 0.00 56.10 53.25 1nvj s TRP 74 Cb 0.07 -0.23 0.04 0.00 -0.81 0.00 0.00 33.47 32.54 1nvj s TRP 74 CO 0.46 -0.14 1.47 -1.25 -0.51 0.00 0.00 176.95 176.98 1nvj s PRO 75 N -1.29 3.46 0.11 4.98 0.04 -1.26 -4.45 135.00 136.58 1nvj s PRO 75 Ca -0.12 -0.93 0.03 0.00 0.04 0.00 0.00 61.00 60.01 1nvj s PRO 75 Cb -0.09 -5.18 -0.04 0.00 0.04 0.00 0.00 34.50 29.24 1nvj s PRO 75 CO -0.01 -2.29 0.17 -0.51 0.04 0.00 0.00 177.00 174.41 1nvj s LEU 76 N 5.47 4.07 0.00 -3.56 1.43 -1.26 -4.24 118.68 120.59 1nvj s LEU 76 Ca 0.46 0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.64 1nvj s LEU 76 Cb -0.02 -2.69 0.00 0.00 0.03 0.00 0.00 46.19 43.51 1nvj s LEU 76 CO -0.06 0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.26 1nvj n GLY 77 N 0.02 0.70 3.76 -3.19 0.00 -0.22 -4.93 105.19 101.32 1nvj n GLY 77 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 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 3.96 3.57 0.01 1.61 0.52 -1.26 -4.66 118.95 122.69 1nvj s ARG 78 Ca 0.00 2.04 0.00 0.00 -0.52 0.00 0.00 55.73 57.25 1nvj s ARG 78 Cb 0.00 -2.43 -0.01 0.00 0.52 0.00 0.00 34.95 33.04 1nvj s ARG 78 CO 0.00 -0.78 -0.02 0.08 0.02 0.00 0.00 175.30 174.60 1nvj s VAL 79 N -1.39 0.09 -0.06 3.52 1.01 -1.05 -2.07 120.40 120.45 1nvj s VAL 79 Ca 0.65 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.40 1nvj s VAL 79 Cb -0.35 -0.12 0.02 0.00 0.00 0.00 0.00 36.38 35.92 1nvj s VAL 79 CO 0.43 -0.10 -0.09 -0.89 0.00 0.00 0.00 175.10 174.45 1nvj s THR 80 N -0.36 0.90 -0.17 3.92 2.01 0.15 -1.32 115.64 120.77 1nvj s THR 80 Ca -0.03 -0.32 -0.00 0.00 0.31 0.00 0.00 61.69 61.64 1nvj s THR 80 Cb -0.03 -0.86 0.04 0.00 0.01 0.00 0.00 72.50 71.67 1nvj s THR 80 CO -0.00 0.31 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.48 1nvj s VAL 81 N 0.87 1.27 -0.13 3.82 1.01 0.36 -0.15 120.40 127.44 1nvj s VAL 81 Ca -0.11 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.17 1nvj s VAL 81 Cb -0.15 -1.40 0.01 0.00 0.00 0.00 0.00 36.38 34.83 1nvj s VAL 81 CO 0.01 0.16 -0.22 -0.63 0.00 0.00 0.00 175.10 174.42 1nvj s ILE 82 N 1.57 2.08 -0.12 2.22 1.01 -0.30 -1.51 121.20 126.14 1nvj s ILE 82 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 59.67 1nvj s ILE 82 Cb -0.15 -1.82 0.02 0.00 0.01 0.00 0.00 42.46 40.52 1nvj s ILE 82 CO -0.08 0.55 -0.10 -2.28 0.00 0.00 0.00 174.94 173.04 1nvj s HIS 83 N 0.65 1.65 0.51 3.97 2.46 -0.32 -1.26 115.29 122.96 1nvj s HIS 83 Ca -0.11 -0.83 -0.19 0.00 0.47 0.00 0.00 55.06 54.40 1nvj s HIS 83 Cb -0.16 -1.30 -0.07 0.00 -0.13 0.00 0.00 32.58 30.91 1nvj s HIS 83 CO 0.02 -0.52 1.04 1.03 -2.47 0.00 0.00 174.74 173.83 1nvj s ARG 84 N 1.54 3.68 0.00 2.88 0.52 0.46 -2.36 118.95 125.66 1nvj s ARG 84 Ca 0.03 1.31 0.00 0.00 -0.52 0.00 0.00 55.73 56.55 1nvj s ARG 84 Cb -0.13 -2.08 0.00 0.00 0.52 0.00 0.00 34.95 33.26 1nvj s ARG 84 CO -0.07 -0.52 0.00 0.44 0.02 0.00 0.00 175.30 175.16 1nvj n ILE 85 N -1.26 0.00 -4.01 1.52 -5.35 -0.83 -4.86 119.36 104.57 1nvj n ILE 85 Ca 0.09 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.57 1nvj n ILE 85 Cb 0.53 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.43 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 1.17 -1.73 3.72 3.28 0.00 0.36 -4.27 105.19 107.72 1nvj n GLY 86 Ca 0.00 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 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 4.57 0.01 1.61 2.12 -1.26 -1.65 118.70 124.09 1nvj s GLU 87 Ca 0.00 1.55 -0.01 0.00 0.36 0.00 0.00 54.97 56.88 1nvj s GLU 87 Cb 0.00 -3.39 -0.01 0.00 0.26 0.00 0.00 34.13 30.99 1nvj s GLU 87 CO 0.00 -0.02 -0.01 -0.51 -0.54 0.00 0.00 175.26 174.18 1nvj s LEU 88 N 0.59 2.12 0.26 2.70 1.43 -0.65 -4.99 118.68 120.15 1nvj s LEU 88 Ca 0.52 -0.35 0.11 0.00 -1.03 0.00 0.00 54.13 53.39 1nvj s LEU 88 Cb -0.25 0.12 -0.05 0.00 0.03 0.00 0.00 46.19 46.05 1nvj s LEU 88 CO 0.30 -0.23 -0.20 0.26 0.23 0.00 0.00 176.35 176.71 1nvj s TRP 89 N -1.09 2.22 0.14 0.29 0.52 -1.26 -2.16 118.94 117.60 1nvj s TRP 89 Ca -0.12 -0.36 -0.34 0.00 0.02 0.00 0.00 56.10 55.30 1nvj s TRP 89 Cb -0.07 -0.98 -0.16 0.00 -1.15 0.00 0.00 33.47 31.11 1nvj s TRP 89 CO -0.01 0.65 1.24 -2.30 0.02 0.00 0.00 176.95 176.56 1nvj n PRO 90 N -0.50 1.20 0.00 4.98 -0.02 -1.26 -1.05 135.00 138.34 1nvj n PRO 90 Ca -0.06 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1nvj n PRO 90 Cb 0.60 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 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 2.23 3.31 3.76 -1.23 0.00 -0.85 -4.98 105.19 107.43 1nvj n GLY 91 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.70 6.89 -0.18 1.61 1.01 -0.22 -4.75 116.67 120.34 1nvj s ASP 92 Ca 0.00 2.54 -0.27 0.00 0.71 0.00 0.00 52.55 55.53 1nvj s ASP 92 Cb 0.00 -2.63 -0.01 0.00 1.01 0.00 0.00 42.92 41.29 1nvj s ASP 92 CO 0.00 -0.47 0.91 -1.61 0.21 0.00 0.00 175.17 174.21 1nvj s GLU 93 N -1.24 4.30 -0.01 8.23 2.02 -1.26 -1.14 118.70 129.61 1nvj s GLU 93 Ca 0.51 1.16 0.05 0.00 0.02 0.00 0.00 54.97 56.71 1nvj s GLU 93 Cb -0.38 -3.59 -0.08 0.00 0.10 0.00 0.00 34.13 30.19 1nvj s GLU 93 CO 0.47 -0.41 0.12 0.44 0.02 0.00 0.00 175.26 175.89 1nvj n ILE 94 N 4.89 0.00 -3.82 -1.63 -5.35 -0.27 -4.83 119.36 108.34 1nvj n ILE 94 Ca 0.07 -0.13 -0.13 0.00 -0.27 0.00 0.00 62.75 62.29 1nvj n ILE 94 Cb 0.48 0.42 -0.15 0.00 -1.74 0.00 0.00 39.64 38.65 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 -2.30 -0.03 -0.07 7.28 0.11 -1.11 -0.41 120.40 123.87 1nvj s VAL 95 Ca -0.02 0.09 0.02 0.00 -2.93 0.00 0.00 61.98 59.15 1nvj s VAL 95 Cb 0.03 -0.07 0.01 0.00 -1.53 0.00 0.00 36.38 34.83 1nvj s VAL 95 CO 0.21 0.04 -0.12 0.12 -3.33 0.00 0.00 175.10 172.01 1nvj s PHE 96 N 0.49 1.51 -0.15 1.54 5.36 -0.39 -1.26 117.98 125.09 1nvj s PHE 96 Ca -0.04 -0.59 0.00 0.00 -0.96 0.00 0.00 56.93 55.34 1nvj s PHE 96 Cb -0.06 -1.12 0.02 0.00 -0.34 0.00 0.00 43.02 41.53 1nvj s PHE 96 CO -0.02 -0.31 -0.13 0.08 -1.46 0.00 0.00 175.22 173.38 1nvj s VAL 97 N 0.77 1.50 -0.11 3.12 1.01 -0.02 -1.16 120.40 125.51 1nvj s VAL 97 Ca -0.12 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.28 1nvj s VAL 97 Cb -0.15 -1.42 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 1nvj s VAL 97 CO 0.02 0.43 -0.20 -0.83 0.00 0.00 0.00 175.10 174.53 1nvj s GLY 98 N 1.52 1.41 -0.02 4.51 0.00 0.78 -0.54 107.32 114.98 1nvj s GLY 98 Ca 0.05 -0.95 0.01 0.00 0.00 0.00 0.00 44.72 43.83 1nvj s GLY 98 CO -0.10 -0.26 -0.03 0.14 0.00 0.00 0.00 173.10 172.84 1nvj s VAL 99 N 0.36 0.32 0.20 1.40 1.01 -0.04 -0.68 120.40 122.97 1nvj s VAL 99 Ca -0.16 -0.09 0.11 0.00 0.00 0.00 0.00 61.98 61.85 1nvj s VAL 99 Cb -0.17 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 1nvj s VAL 99 CO 0.07 0.13 -0.24 0.42 0.00 0.00 0.00 175.10 175.48 1nvj s THR 100 N 0.37 2.36 0.13 3.92 -4.23 -0.88 -0.91 115.64 116.41 1nvj s THR 100 Ca -0.04 -2.06 -0.24 0.00 -1.18 0.00 0.00 61.69 58.17 1nvj s THR 100 Cb -0.07 -2.14 0.07 0.00 1.34 0.00 0.00 72.50 71.70 1nvj s THR 100 CO -0.01 -0.14 0.60 -0.55 -0.54 0.00 0.00 174.62 173.99 1nvj s SER 101 N -2.73 -0.57 0.56 3.99 0.15 -0.53 -1.06 113.70 113.51 1nvj s SER 101 Ca 0.21 0.08 0.35 0.00 0.70 0.00 0.00 55.95 57.30 1nvj s SER 101 Cb -0.08 0.59 1.58 0.00 -1.71 0.00 0.00 66.02 66.40 1nvj s SER 101 CO 0.10 -0.92 2.05 0.00 1.20 0.00 0.00 173.24 175.67 1nvj h ALA 102 N 2.14 1.00 -3.13 5.45 0.00 -1.74 -0.39 119.26 122.59 1nvj h ALA 102 Ca -0.33 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 53.91 1nvj h ALA 102 Cb 1.29 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 18.77 1nvj h ALA 102 CO 0.38 0.00 -0.80 -1.58 0.00 0.00 0.00 179.25 177.25 1nvj s HIS 103 N -3.75 2.81 0.13 0.00 5.65 -1.26 -4.63 115.29 114.24 1nvj s HIS 103 Ca -0.00 -1.16 -0.19 0.00 0.25 0.00 0.00 55.06 53.95 1nvj s HIS 103 Cb 0.10 -1.93 -0.02 0.00 -1.18 0.00 0.00 32.58 29.55 1nvj s HIS 103 CO 0.50 -0.56 1.72 -0.09 -0.65 0.00 0.00 174.74 175.66 1nvj h ARG 104 N 7.59 0.06 -0.79 2.88 2.43 -1.93 -2.45 114.38 122.18 1nvj h ARG 104 Ca -0.37 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 58.83 1nvj h ARG 104 Cb 1.17 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.67 1nvj h ARG 104 CO 0.59 0.04 0.52 1.03 -1.51 0.00 0.00 179.97 180.64 1nvj h SER 105 N 0.06 0.84 -0.47 -3.80 0.87 -1.99 -2.37 113.55 106.69 1nvj h SER 105 Ca 0.10 -0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.57 1nvj h SER 105 Cb 0.13 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.88 1nvj h SER 105 CO -0.18 0.58 -0.05 0.28 -0.53 0.00 0.00 176.83 176.93 1nvj h SER 106 N 0.98 0.86 -0.54 6.23 0.02 -1.87 -1.76 113.55 117.46 1nvj h SER 106 Ca 0.31 -0.33 0.03 0.00 -0.84 0.00 0.00 61.79 60.96 1nvj h SER 106 Cb 0.03 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.30 1nvj h SER 106 CO -0.09 0.99 0.32 0.00 -1.14 0.00 0.00 176.83 176.91 1nvj h ALA 107 N 0.90 0.70 -0.47 3.77 0.00 -1.21 0.31 119.26 123.25 1nvj h ALA 107 Ca 0.13 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 1nvj h ALA 107 Cb 0.58 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1nvj h ALA 107 CO 0.03 0.03 -0.18 0.74 0.00 0.00 0.00 179.25 179.87 1nvj h PHE 108 N 0.64 1.06 -0.10 0.00 -1.00 -1.31 -1.67 116.94 114.56 1nvj h PHE 108 Ca 0.22 -0.24 -0.07 0.00 2.81 0.00 0.00 57.97 60.69 1nvj h PHE 108 Cb 0.03 -0.25 0.00 0.00 3.61 0.00 0.00 35.95 39.34 1nvj h PHE 108 CO -0.06 1.03 -0.21 0.93 -1.61 0.00 0.00 178.31 178.39 1nvj h GLU 109 N 0.81 0.32 -0.86 1.51 5.08 -1.16 -2.28 114.58 118.00 1nvj h GLU 109 Ca 0.11 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1nvj h GLU 109 Cb 0.74 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.97 1nvj h GLU 109 CO 0.06 0.80 0.45 0.00 -1.00 0.00 0.00 179.01 179.32 1nvj h ALA 110 N 0.51 1.16 -0.37 3.43 0.00 -0.95 -0.04 119.26 123.01 1nvj h ALA 110 Ca 0.00 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1nvj h ALA 110 Cb 0.79 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1nvj h ALA 110 CO 0.05 0.66 0.20 0.78 0.00 0.00 0.00 179.25 180.94 1nvj h GLY 111 N 1.23 0.51 1.27 0.00 0.00 -1.23 0.87 103.07 105.71 1nvj h GLY 111 Ca 0.30 -0.15 -0.13 0.00 0.00 0.00 0.00 47.33 47.36 1nvj h GLY 111 CO -0.04 0.12 -0.26 1.46 0.00 0.00 0.00 176.54 177.82 1nvj h GLN 112 N 0.42 0.83 -0.32 4.80 4.20 -1.15 -2.38 115.11 121.51 1nvj h GLN 112 Ca 0.15 -0.36 -0.01 0.00 0.06 0.00 0.00 58.65 58.49 1nvj h GLN 112 Cb 0.03 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1nvj h GLN 112 CO -0.09 0.99 0.15 0.35 -0.67 0.00 0.00 178.83 179.56 1nvj h PHE 113 N 0.71 0.47 -0.45 2.96 3.57 -0.65 -0.25 116.94 123.30 1nvj h PHE 113 Ca 0.09 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 1nvj h PHE 113 Cb 0.80 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 1nvj h PHE 113 CO 0.04 0.42 0.17 0.82 -2.23 0.00 0.00 178.31 177.54 1nvj h ILE 114 N 0.38 1.21 -0.62 1.41 2.04 -0.75 -1.63 117.51 119.54 1nvj h ILE 114 Ca 0.11 -0.66 -0.05 0.00 1.00 0.00 0.00 64.86 65.26 1nvj h ILE 114 Cb 0.14 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 1nvj h ILE 114 CO -0.01 0.24 0.21 0.24 0.00 0.00 0.00 178.15 178.83 1nvj h MET 115 N 0.59 0.96 -0.80 2.37 2.86 -1.34 -1.14 114.93 118.44 1nvj h MET 115 Ca 0.15 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1nvj h MET 115 Cb 0.21 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.69 1nvj h MET 115 CO -0.01 0.84 0.51 -0.44 1.06 0.00 0.00 176.91 178.87 1nvj h ASP 116 N 0.89 0.93 1.02 1.22 3.32 -0.74 -1.98 116.42 121.08 1nvj h ASP 116 Ca 0.20 -0.04 -0.20 0.00 0.02 0.00 0.00 57.03 57.01 1nvj h ASP 116 Cb 0.27 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 1nvj h ASP 116 CO -0.01 0.69 -0.95 1.88 -1.72 0.00 0.00 179.24 179.14 1nvj h TYR 117 N 1.09 0.00 -0.07 4.55 -1.99 -1.22 -2.88 116.97 116.45 1nvj h TYR 117 Ca 0.29 0.00 -0.21 0.00 2.00 0.00 0.00 58.73 60.81 1nvj h TYR 117 Cb -0.09 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.64 1nvj h TYR 117 CO -0.01 0.95 -0.81 1.37 -0.00 0.00 0.00 178.16 179.66 1nvj h LEU 118 N 0.00 0.62 -1.23 3.88 8.10 -1.14 0.49 115.31 126.03 1nvj h LEU 118 Ca -0.01 -0.43 -0.08 0.00 0.11 0.00 0.00 57.88 57.47 1nvj h LEU 118 Cb 1.71 -0.18 -0.01 0.00 -0.44 0.00 0.00 40.66 41.74 1nvj h LEU 118 CO 0.12 1.20 -0.37 0.11 -4.11 0.00 0.00 178.44 175.39 1nvj h LYS 119 N 0.33 0.00 0.00 0.17 1.79 -1.38 -2.46 116.57 115.02 1nvj h LYS 119 Ca -0.05 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.09 1nvj h LYS 119 Cb 1.42 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 32.00 1nvj h LYS 119 CO 0.15 0.37 -2.23 0.25 -1.08 0.00 0.00 179.45 176.91 1nvj n THR 120 N -3.92 1.23 -0.01 -0.16 -2.24 -1.09 -4.79 114.28 103.30 1nvj n THR 120 Ca -0.02 -0.71 0.02 0.00 -2.27 0.00 0.00 64.05 61.07 1nvj n THR 120 Cb 0.43 -0.66 -0.04 0.00 -2.10 0.00 0.00 70.33 67.96 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 -2.74 0.85 -2.22 -0.78 1.74 0.15 -4.96 116.66 108.70 1nvj n ARG 121 Ca -0.31 -0.04 -0.43 0.00 -0.77 0.00 0.00 57.85 56.31 1nvj n ARG 121 Cb 1.05 -1.13 -0.02 0.00 -1.02 0.00 0.00 32.46 31.33 1nvj n ARG 121 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nvj s ALA 122 N -2.33 3.63 -0.22 7.54 0.00 -0.92 -4.95 121.76 124.50 1nvj s ALA 122 Ca -0.02 0.72 -0.29 0.00 0.00 0.00 0.00 51.96 52.36 1nvj s ALA 122 Cb 0.03 -3.67 0.01 0.00 0.00 0.00 0.00 23.12 19.49 1nvj s ALA 122 CO 0.23 -1.23 1.05 -1.25 0.00 0.00 0.00 175.76 174.56 1nvj s PRO 123 N 3.55 4.27 0.36 0.00 0.04 -1.26 -4.89 135.00 137.07 1nvj s PRO 123 Ca 0.64 1.38 0.03 0.00 0.04 0.00 0.00 61.00 63.09 1nvj s PRO 123 Cb -0.28 -3.64 -0.05 0.00 0.04 0.00 0.00 34.50 30.58 1nvj s PRO 123 CO 0.23 -0.62 0.08 -0.06 0.04 0.00 0.00 177.00 176.67 1nvj s PHE 124 N 3.14 1.87 -0.04 0.56 0.40 -1.26 -4.33 117.98 118.32 1nvj s PHE 124 Ca 0.45 -1.09 -0.09 0.00 -0.60 0.00 0.00 56.93 55.60 1nvj s PHE 124 Cb -0.15 -1.23 0.02 0.00 0.51 0.00 0.00 43.02 42.16 1nvj s PHE 124 CO 0.07 -0.11 0.22 1.67 0.70 0.00 0.00 175.22 177.77 1nvj s TRP 125 N -3.27 -0.14 0.33 0.36 1.48 -0.46 -5.00 118.94 112.23 1nvj s TRP 125 Ca 0.31 0.31 0.06 0.00 -1.06 0.00 0.00 56.10 55.72 1nvj s TRP 125 Cb 0.06 0.05 -0.01 0.00 -1.16 0.00 0.00 33.47 32.41 1nvj s TRP 125 CO 0.15 -0.23 0.47 0.15 -4.06 0.00 0.00 176.95 173.43 1nvj s LYS 126 N -0.64 3.15 0.00 3.25 1.02 -1.26 -0.85 119.74 124.40 1nvj s LYS 126 Ca -0.07 -0.94 0.00 0.00 0.02 0.00 0.00 55.97 54.97 1nvj s LYS 126 Cb -0.04 -2.81 0.00 0.00 -0.52 0.00 0.00 37.83 34.46 1nvj s LYS 126 CO 0.01 0.08 0.00 2.89 -0.92 0.00 0.00 175.35 177.41