#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vjh n THR 2 N 0.00 0.00 -0.02 2.46 5.66 -1.26 -4.35 114.28 116.77 1vjh n THR 2 Ca 0.00 -0.01 0.04 0.00 -3.05 0.00 0.00 64.05 61.03 1vjh n THR 2 Cb 0.00 0.21 -0.10 0.00 -1.55 0.00 0.00 70.33 68.89 1vjh n THR 2 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1vjh n LEU 3 N -1.43 0.00 -4.86 1.09 4.77 -1.26 -4.66 117.00 110.65 1vjh n LEU 3 Ca 0.06 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.68 1vjh n LEU 3 Cb 0.34 0.06 -0.06 0.00 -2.33 0.00 0.00 43.42 41.42 1vjh n LEU 3 CO 0.34 0.06 0.02 -0.54 -1.33 0.00 0.00 177.39 175.94 1vjh s LYS 4 N -2.79 3.73 -0.00 3.23 1.02 -1.26 -0.83 119.74 122.83 1vjh s LYS 4 Ca -0.05 0.16 -0.01 0.00 0.02 0.00 0.00 55.97 56.09 1vjh s LYS 4 Cb 0.07 -3.11 0.00 0.00 -0.52 0.00 0.00 37.83 34.28 1vjh s LYS 4 CO 0.53 0.65 0.04 0.41 -0.92 0.00 0.00 175.35 176.06 1vjh n GLY 5 N 1.38 0.46 3.29 -3.33 0.00 -0.60 -4.94 105.19 101.45 1vjh n GLY 5 Ca -0.12 -0.82 -0.11 0.00 0.00 0.00 0.00 46.02 44.98 1vjh n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vjh s ALA 6 N -1.03 -0.81 -0.08 4.61 0.00 -1.26 -1.21 121.76 121.97 1vjh s ALA 6 Ca 0.01 -0.06 -0.04 0.00 0.00 0.00 0.00 51.96 51.87 1vjh s ALA 6 Cb -0.00 0.56 0.04 0.00 0.00 0.00 0.00 23.12 23.72 1vjh s ALA 6 CO -0.00 -0.56 0.19 -1.17 0.00 0.00 0.00 175.76 174.22 1vjh s LEU 7 N -2.59 0.55 0.00 0.00 2.96 -0.33 -4.99 118.68 114.29 1vjh s LEU 7 Ca 0.01 0.41 0.01 0.00 -0.22 0.00 0.00 54.13 54.34 1vjh s LEU 7 Cb 0.02 0.54 -0.01 0.00 0.50 0.00 0.00 46.19 47.24 1vjh s LEU 7 CO -0.09 -0.16 -0.04 -0.55 -1.32 0.00 0.00 176.35 174.19 1vjh s SER 8 N 1.24 0.49 0.03 3.68 0.15 -1.26 0.00 113.70 118.04 1vjh s SER 8 Ca -0.09 -0.12 0.05 0.00 0.70 0.00 0.00 55.95 56.49 1vjh s SER 8 Cb -0.11 -0.04 -0.02 0.00 -1.71 0.00 0.00 66.02 64.14 1vjh s SER 8 CO -0.07 0.02 -0.14 0.54 1.20 0.00 0.00 173.24 174.79 1vjh s VAL 9 N -0.22 1.14 -0.06 4.45 0.11 -0.27 -4.99 120.40 120.56 1vjh s VAL 9 Ca 0.00 -0.95 0.03 0.00 -2.93 0.00 0.00 61.98 58.13 1vjh s VAL 9 Cb -0.02 -1.02 0.01 0.00 -1.53 0.00 0.00 36.38 33.81 1vjh s VAL 9 CO -0.00 0.06 -0.14 -0.75 -3.33 0.00 0.00 175.10 170.94 1vjh s LYS 10 N -1.02 1.80 0.20 1.54 2.20 -1.26 -1.11 119.74 122.08 1vjh s LYS 10 Ca 0.02 -0.50 -0.20 0.00 -0.36 0.00 0.00 55.97 54.93 1vjh s LYS 10 Cb -0.08 -1.49 0.04 0.00 -1.51 0.00 0.00 37.83 34.79 1vjh s LYS 10 CO 0.01 0.10 0.59 -0.59 -0.36 0.00 0.00 175.35 175.10 1vjh s PHE 11 N 0.45 -0.30 0.08 4.03 -0.12 -0.85 -5.01 117.98 116.26 1vjh s PHE 11 Ca -0.12 -0.01 0.05 0.00 -0.05 0.00 0.00 56.93 56.80 1vjh s PHE 11 Cb -0.15 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 42.72 1vjh s PHE 11 CO 0.04 -0.95 0.00 -0.51 -0.05 0.00 0.00 175.22 173.75 1vjh s ASP 12 N -2.83 5.04 0.29 1.98 -0.00 -1.26 -0.44 116.67 119.45 1vjh s ASP 12 Ca 0.06 -0.16 0.08 0.00 -0.00 0.00 0.00 52.55 52.53 1vjh s ASP 12 Cb -0.02 -1.21 -0.06 0.00 -0.00 0.00 0.00 42.92 41.63 1vjh s ASP 12 CO -0.05 0.18 -0.10 0.68 -0.00 0.00 0.00 175.17 175.88 1vjh s VAL 13 N -1.30 1.95 -0.12 -1.27 -7.23 0.16 -4.94 120.40 107.66 1vjh s VAL 13 Ca 0.25 -2.20 0.16 0.00 -1.81 0.00 0.00 61.98 58.38 1vjh s VAL 13 Cb -0.12 -2.43 -0.09 0.00 0.56 0.00 0.00 36.38 34.30 1vjh s VAL 13 CO 0.18 -0.32 0.99 0.11 -0.31 0.00 0.00 175.10 175.75 1vjh h LYS 14 N 2.24 0.00 -7.01 4.82 1.57 -1.91 -0.23 116.57 116.05 1vjh h LYS 14 Ca -0.40 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 57.83 1vjh h LYS 14 Cb 1.24 0.00 0.13 0.00 0.08 0.00 0.00 32.23 33.68 1vjh h LYS 14 CO 0.66 0.38 0.69 0.00 -0.57 0.00 0.00 179.45 180.61 1vjh s PRO 16 N -2.60 2.16 0.08 0.00 0.04 -1.26 -3.31 135.00 130.10 1vjh s PRO 16 Ca 0.65 1.83 -0.17 0.00 0.04 0.00 0.00 61.00 63.34 1vjh s PRO 16 Cb -0.44 -1.83 -0.09 0.00 0.04 0.00 0.00 34.50 32.19 1vjh s PRO 16 CO 0.55 -1.84 1.45 0.00 0.04 0.00 0.00 177.00 177.20 1vjh h ALA 17 N -0.19 0.36 -0.57 8.56 0.00 -1.91 -0.77 119.26 124.74 1vjh h ALA 17 Ca -0.48 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.05 1vjh h ALA 17 Cb 1.30 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1vjh h ALA 17 CO 0.50 0.22 0.08 -0.44 0.00 0.00 0.00 179.25 179.61 1vjh h ASP 18 N 0.26 0.91 -0.35 0.00 3.32 -1.95 -0.17 116.42 118.45 1vjh h ASP 18 Ca 0.06 -0.27 -0.05 0.00 0.02 0.00 0.00 57.03 56.79 1vjh h ASP 18 Cb 0.62 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1vjh h ASP 18 CO 0.04 0.95 0.02 0.50 -1.72 0.00 0.00 179.24 179.02 1vjh h LYS 19 N 0.84 0.60 -0.09 3.56 3.64 -1.92 -1.37 116.57 121.84 1vjh h LYS 19 Ca 0.17 -0.18 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1vjh h LYS 19 Cb 0.43 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1vjh h LYS 19 CO 0.01 0.71 0.04 0.35 -2.27 0.00 0.00 179.45 178.28 1vjh h PHE 20 N 0.42 0.13 -0.40 1.91 3.57 -1.00 -1.59 116.94 119.97 1vjh h PHE 20 Ca 0.10 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 1vjh h PHE 20 Cb 0.42 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 1vjh h PHE 20 CO 0.03 0.24 0.10 0.35 -2.23 0.00 0.00 178.31 176.80 1vjh h PHE 21 N -0.01 0.68 -0.74 0.41 3.04 -1.01 -2.49 116.94 116.81 1vjh h PHE 21 Ca 0.03 -0.08 -0.02 0.00 3.98 0.00 0.00 57.97 61.88 1vjh h PHE 21 Cb 0.16 -0.19 -0.04 0.00 2.56 0.00 0.00 35.95 38.44 1vjh h PHE 21 CO -0.02 0.64 0.41 0.66 -2.02 0.00 0.00 178.31 177.98 1vjh h SER 22 N 0.51 0.93 -0.69 0.41 4.64 -1.24 -0.76 113.55 117.35 1vjh h SER 22 Ca 0.13 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1vjh h SER 22 Cb 0.31 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 62.13 1vjh h SER 22 CO 0.00 0.76 0.45 0.00 -0.87 0.00 0.00 176.83 177.17 1vjh h ALA 23 N 1.21 0.87 0.16 5.18 0.00 -1.15 -0.87 119.26 124.67 1vjh h ALA 23 Ca 0.26 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1vjh h ALA 23 Cb 0.04 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1vjh h ALA 23 CO -0.04 0.31 -0.08 0.35 0.00 0.00 0.00 179.25 179.79 1vjh h PHE 24 N 0.94 -0.20 -0.73 0.00 3.57 -1.14 -0.07 116.94 119.31 1vjh h PHE 24 Ca 0.25 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.86 1vjh h PHE 24 Cb -0.09 0.07 -0.08 0.00 2.79 0.00 0.00 35.95 38.63 1vjh h PHE 24 CO -0.02 -0.10 0.34 0.28 -2.23 0.00 0.00 178.31 176.58 1vjh h VAL 25 N -0.25 0.79 -0.49 1.41 2.07 -0.96 -1.03 116.25 117.79 1vjh h VAL 25 Ca -0.02 -0.19 -0.10 0.00 0.82 0.00 0.00 66.70 67.21 1vjh h VAL 25 Cb 0.19 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 1vjh h VAL 25 CO 0.04 0.10 -0.08 -0.08 0.02 0.00 0.00 177.57 177.57 1vjh h GLU 26 N 0.56 0.88 0.00 1.57 4.57 -0.98 -2.68 114.58 118.50 1vjh h GLU 26 Ca 0.37 -0.29 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1vjh h GLU 26 Cb 0.45 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 1vjh h GLU 26 CO -0.31 0.93 0.00 0.22 -1.18 0.00 0.00 179.01 178.67 1vjh h ASP 27 N 0.79 0.00 0.39 1.04 3.58 0.32 -2.46 116.42 120.08 1vjh h ASP 27 Ca 0.13 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.58 1vjh h ASP 27 Cb 0.59 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.64 1vjh h ASP 27 CO 0.04 0.00 0.00 0.35 -2.88 0.00 0.00 179.24 176.75 1vjh n THR 28 N -2.68 0.57 0.29 2.25 -2.24 -0.93 -1.74 114.28 109.80 1vjh n THR 28 Ca 0.00 0.14 0.14 0.00 -2.27 0.00 0.00 64.05 62.07 1vjh n THR 28 Cb 0.20 -0.86 0.87 0.00 -2.10 0.00 0.00 70.33 68.45 1vjh n THR 28 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1vjh h ASN 29 N 0.00 0.00 -3.58 3.42 2.35 -1.61 -3.39 115.58 112.77 1vjh h ASN 29 Ca 0.00 0.00 -0.61 0.00 -0.55 0.00 0.00 56.30 55.14 1vjh h ASN 29 Cb 0.20 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 38.44 1vjh h ASN 29 CO 0.00 0.02 -0.20 -0.13 -1.65 0.00 0.00 177.43 175.47 1vjh s ARG 30 N -4.58 4.10 0.65 0.81 0.52 -0.71 -5.06 118.95 114.68 1vjh s ARG 30 Ca -0.05 0.14 -0.17 0.00 -0.52 0.00 0.00 55.73 55.13 1vjh s ARG 30 Cb 0.15 -3.59 -0.04 0.00 0.52 0.00 0.00 34.95 31.99 1vjh s ARG 30 CO 0.56 -0.16 0.81 -2.30 0.02 0.00 0.00 175.30 174.23 1vjh n PRO 31 N 4.91 0.62 0.00 3.54 -0.02 -1.26 -4.88 135.00 137.90 1vjh n PRO 31 Ca -0.08 0.25 0.14 0.00 -2.02 0.00 0.00 63.50 61.79 1vjh n PRO 31 Cb 0.51 -2.04 0.63 0.00 -0.02 0.00 0.00 33.50 32.57 1vjh n PRO 31 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1vjh n PHE 32 N -2.06 0.00 -3.81 6.00 3.72 -1.26 -4.87 117.46 115.19 1vjh n PHE 32 Ca 0.13 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.43 1vjh n PHE 32 Cb 0.48 -0.29 -0.05 0.00 -0.94 0.00 0.00 39.48 38.68 1vjh n PHE 32 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 1vjh s GLU 33 N -2.68 1.31 0.32 -1.08 -1.05 -1.26 -5.02 118.70 109.25 1vjh s GLU 33 Ca 0.24 -0.96 0.06 0.00 -0.15 0.00 0.00 54.97 54.15 1vjh s GLU 33 Cb 0.20 0.48 0.55 0.00 -0.44 0.00 0.00 34.13 34.91 1vjh s GLU 33 CO 0.51 -0.54 1.79 -0.22 0.95 0.00 0.00 175.26 177.75 1vjh h LYS 34 N 2.30 0.34 -0.54 -4.83 3.64 -2.00 -0.32 116.57 115.16 1vjh h LYS 34 Ca -0.30 -0.12 -0.22 0.00 -1.27 0.00 0.00 60.65 58.75 1vjh h LYS 34 Cb 1.25 -0.03 -0.13 0.00 -0.41 0.00 0.00 32.23 32.91 1vjh h LYS 34 CO 0.41 0.57 0.16 0.09 -2.27 0.00 0.00 179.45 178.40 1vjh n ASN 35 N -4.15 3.51 -4.89 4.20 3.02 -1.26 -5.03 115.26 110.65 1vjh n ASN 35 Ca -0.01 -3.48 -0.29 0.00 -0.03 0.00 0.00 54.58 50.78 1vjh n ASN 35 Cb 0.37 -0.68 -0.01 0.00 -0.61 0.00 0.00 39.78 38.85 1vjh n ASN 35 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1vjh s GLY 36 N -1.86 1.65 -0.03 7.41 0.00 -0.13 -4.04 107.32 110.32 1vjh s GLY 36 Ca 0.49 -0.37 0.01 0.00 0.00 0.00 0.00 44.72 44.85 1vjh s GLY 36 CO 0.07 -0.18 -0.02 1.25 0.00 0.00 0.00 173.10 174.21 1vjh s LYS 37 N -4.52 0.55 -0.09 2.90 2.20 0.01 -4.82 119.74 115.96 1vjh s LYS 37 Ca 0.49 -0.02 0.03 0.00 -0.36 0.00 0.00 55.97 56.12 1vjh s LYS 37 Cb -0.10 -0.63 -0.01 0.00 -1.51 0.00 0.00 37.83 35.57 1vjh s LYS 37 CO 0.42 -0.10 -0.20 0.99 -0.36 0.00 0.00 175.35 176.10 1vjh s THR 38 N 0.91 2.42 -0.10 3.43 2.01 -1.26 -0.49 115.64 122.56 1vjh s THR 38 Ca -0.11 -0.91 0.04 0.00 0.31 0.00 0.00 61.69 61.03 1vjh s THR 38 Cb -0.14 -1.95 0.00 0.00 0.01 0.00 0.00 72.50 70.43 1vjh s THR 38 CO -0.01 0.55 -0.23 -1.61 -0.69 0.00 0.00 174.62 172.64 1vjh s GLU 39 N 0.15 2.90 -0.23 4.92 2.02 0.38 -4.96 118.70 123.87 1vjh s GLU 39 Ca -0.11 -0.83 -0.28 0.00 0.02 0.00 0.00 54.97 53.77 1vjh s GLU 39 Cb -0.16 -2.20 0.01 0.00 0.10 0.00 0.00 34.13 31.88 1vjh s GLU 39 CO 0.06 0.16 1.01 0.42 0.02 0.00 0.00 175.26 176.93 1vjh s ILE 40 N 0.38 4.70 -0.16 -1.63 1.01 -1.26 -0.06 121.20 124.18 1vjh s ILE 40 Ca -0.18 1.95 0.07 0.00 0.00 0.00 0.00 60.65 62.49 1vjh s ILE 40 Cb -0.18 -4.29 -0.23 0.00 0.01 0.00 0.00 42.46 37.78 1vjh s ILE 40 CO 0.08 -0.18 0.22 -0.62 0.00 0.00 0.00 174.94 174.45 1vjh n GLU 41 N 6.29 0.68 -3.73 2.79 1.02 0.11 -4.96 120.64 122.84 1vjh n GLU 41 Ca 0.11 0.17 -0.13 0.00 -0.02 0.00 0.00 57.16 57.29 1vjh n GLU 41 Cb 0.46 -1.63 -0.09 0.00 -0.02 0.00 0.00 31.44 30.15 1vjh n GLU 41 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1vjh s ALA 42 N -2.54 -0.97 -0.16 0.62 0.00 -1.10 -4.97 121.76 112.65 1vjh s ALA 42 Ca -0.17 0.89 -0.13 0.00 0.00 0.00 0.00 51.96 52.55 1vjh s ALA 42 Cb 0.07 -0.40 0.04 0.00 0.00 0.00 0.00 23.12 22.84 1vjh s ALA 42 CO 0.76 -0.22 0.41 0.54 0.00 0.00 0.00 175.76 177.24 1vjh s VAL 43 N -0.34 -0.01 -0.18 0.00 0.11 -1.26 -0.92 120.40 117.80 1vjh s VAL 43 Ca -0.05 0.02 -0.02 0.00 -2.93 0.00 0.00 61.98 59.00 1vjh s VAL 43 Cb -0.03 -0.58 0.05 0.00 -1.53 0.00 0.00 36.38 34.29 1vjh s VAL 43 CO 0.02 0.01 0.02 -0.62 -3.33 0.00 0.00 175.10 171.20 1vjh s ASP 44 N 0.49 2.75 0.43 3.54 -1.08 -0.29 -5.02 116.67 117.49 1vjh s ASP 44 Ca -0.02 -0.72 0.26 0.00 -0.52 0.00 0.00 52.55 51.55 1vjh s ASP 44 Cb -0.04 -0.61 0.71 0.00 -1.46 0.00 0.00 42.92 41.51 1vjh s ASP 44 CO -0.03 -0.28 1.74 -0.07 0.52 0.00 0.00 175.17 177.05 1vjh h LEU 45 N 8.24 0.00 0.08 -1.34 -0.00 -1.97 0.34 115.31 120.65 1vjh h LEU 45 Ca -0.17 0.00 -0.27 0.00 -0.00 0.00 0.00 57.88 57.44 1vjh h LEU 45 Cb 1.12 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.76 1vjh h LEU 45 CO 0.33 0.00 -1.42 0.58 -0.00 0.00 0.00 178.44 177.93 1vjh h VAL 46 N 0.00 0.94 0.00 1.22 2.07 -1.96 -3.35 116.25 115.17 1vjh h VAL 46 Ca 0.00 -2.31 0.00 0.00 0.82 0.00 0.00 66.70 65.21 1vjh h VAL 46 Cb 0.80 2.54 0.00 0.00 -1.52 0.00 0.00 31.29 33.11 1vjh h VAL 46 CO 0.00 0.62 0.00 0.29 0.02 0.00 0.00 177.57 178.50 1vjh n LYS 47 N -4.03 0.15 -3.23 1.57 5.02 -1.23 -4.94 118.16 111.47 1vjh n LYS 47 Ca -0.28 0.24 -0.15 0.00 -2.02 0.00 0.00 58.31 56.11 1vjh n LYS 47 Cb 0.84 -1.72 0.08 0.00 -0.02 0.00 0.00 35.03 34.21 1vjh n LYS 47 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1vjh n LYS 48 N -1.98 -5.73 -4.55 1.97 5.02 0.07 -4.56 118.16 108.38 1vjh n LYS 48 Ca 0.04 0.73 -0.26 0.00 -2.02 0.00 0.00 58.31 56.80 1vjh n LYS 48 Cb 0.31 -5.38 -0.09 0.00 -0.02 0.00 0.00 35.03 29.85 1vjh n LYS 48 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1vjh s THR 49 N -3.31 0.87 -0.02 -0.18 -4.23 -0.96 -1.32 115.64 106.49 1vjh s THR 49 Ca 0.03 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 1vjh s THR 49 Cb -0.01 -2.42 0.03 0.00 1.34 0.00 0.00 72.50 71.44 1vjh s THR 49 CO 0.62 0.00 0.02 -0.89 -0.54 0.00 0.00 174.62 173.84 1vjh s THR 51 N -3.15 -0.01 0.02 3.99 2.01 -0.10 -1.14 115.64 117.27 1vjh s THR 51 Ca 0.23 0.17 0.07 0.00 0.31 0.00 0.00 61.69 62.47 1vjh s THR 51 Cb 0.04 -0.11 -0.02 0.00 0.01 0.00 0.00 72.50 72.41 1vjh s THR 51 CO 0.13 0.09 -0.20 0.27 -0.69 0.00 0.00 174.62 174.22 1vjh s ILE 52 N 0.98 1.62 0.24 1.82 -4.36 -0.04 0.05 121.20 121.50 1vjh s ILE 52 Ca -0.08 -1.07 0.04 0.00 -0.26 0.00 0.00 60.65 59.27 1vjh s ILE 52 Cb -0.12 -1.39 0.04 0.00 1.25 0.00 0.00 42.46 42.24 1vjh s ILE 52 CO -0.03 0.28 0.32 1.67 0.24 0.00 0.00 174.94 177.43 1vjh n GLN 53 N 2.10 0.85 0.00 0.37 7.27 0.92 -0.70 117.38 128.19 1vjh n GLN 53 Ca -0.16 -1.30 0.00 0.00 0.07 0.00 0.00 57.00 55.61 1vjh n GLN 53 Cb 0.53 -0.09 0.00 0.00 2.41 0.00 0.00 30.24 33.10 1vjh n GLN 53 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 1vjh n SER 55 N -2.68 0.00 0.00 1.69 3.41 0.35 -0.47 113.62 115.92 1vjh n SER 55 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 1vjh n SER 55 Cb 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 1vjh n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vjh n GLY 56 N -0.57 2.86 0.30 5.00 0.00 -1.26 -0.81 105.19 110.72 1vjh n GLY 56 Ca 0.00 -1.26 -0.06 0.00 0.00 0.00 0.00 46.02 44.70 1vjh n GLY 56 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1vjh h SER 57 N 0.00 -0.92 0.01 1.61 0.02 -1.99 -2.09 113.55 110.19 1vjh h SER 57 Ca 0.00 0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1vjh h SER 57 Cb 0.00 0.46 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 1vjh h SER 57 CO 0.00 -0.29 -0.01 -0.33 -1.14 0.00 0.00 176.83 175.07 1vjh h GLU 58 N -0.19 -0.01 -0.79 3.45 4.39 -1.94 -3.21 114.58 116.28 1vjh h GLU 58 Ca 0.20 0.00 0.16 0.00 0.34 0.00 0.00 59.36 60.06 1vjh h GLU 58 Cb 0.50 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 29.01 1vjh h GLU 58 CO -0.54 -0.01 -0.18 -0.89 -1.16 0.00 0.00 179.01 176.23 1vjh n ILE 59 N -2.12 -0.33 1.75 3.13 5.41 -1.20 -0.29 119.36 125.71 1vjh n ILE 59 Ca -0.00 1.79 0.14 0.00 1.00 0.00 0.00 62.75 65.69 1vjh n ILE 59 Cb 0.01 -2.50 0.84 0.00 -0.71 0.00 0.00 39.64 37.28 1vjh n ILE 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1vjh n GLN 60 N -5.27 0.85 0.26 0.38 1.13 -0.79 -1.06 117.38 112.89 1vjh n GLN 60 Ca 0.13 0.00 0.15 0.00 -1.94 0.00 0.00 57.00 55.35 1vjh n GLN 60 Cb 0.41 -1.50 0.60 0.00 0.11 0.00 0.00 30.24 29.86 1vjh n GLN 60 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 1vjh h LYS 61 N 0.00 0.00 0.00 -1.09 1.57 -0.65 -3.38 116.57 113.02 1vjh h LYS 61 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1vjh h LYS 61 Cb 0.02 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 1vjh h LYS 61 CO 0.00 0.05 -1.01 0.66 -0.57 0.00 0.00 179.45 178.58 1vjh n TYR 62 N -3.16 0.00 -5.03 -1.35 4.02 -0.36 -4.89 117.16 106.40 1vjh n TYR 62 Ca 0.01 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.61 1vjh n TYR 62 Cb 0.35 -0.01 -0.17 0.00 -0.02 0.00 0.00 39.34 39.50 1vjh n TYR 62 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1vjh s PHE 63 N -2.00 2.14 0.20 -0.72 0.40 -0.22 0.11 117.98 117.88 1vjh s PHE 63 Ca -0.00 -0.75 -0.09 0.00 -0.60 0.00 0.00 56.93 55.49 1vjh s PHE 63 Cb 0.00 -1.44 0.11 0.00 0.51 0.00 0.00 43.02 42.21 1vjh s PHE 63 CO 0.00 -0.29 1.72 0.87 0.70 0.00 0.00 175.22 178.22 1vjh h LYS 64 N 6.50 1.13 -3.42 0.44 1.57 -0.91 -3.35 116.57 118.53 1vjh h LYS 64 Ca -0.27 -0.26 -0.26 0.00 -1.87 0.00 0.00 60.65 57.98 1vjh h LYS 64 Cb 1.20 -0.15 -0.32 0.00 0.08 0.00 0.00 32.23 33.04 1vjh h LYS 64 CO 0.47 0.99 -0.66 0.99 -0.57 0.00 0.00 179.45 180.67 1vjh s THR 65 N -5.34 -0.05 -0.10 -0.16 2.01 -1.16 -4.98 115.64 105.86 1vjh s THR 65 Ca -0.12 0.17 -0.01 0.00 0.31 0.00 0.00 61.69 62.04 1vjh s THR 65 Cb 0.15 -0.15 0.03 0.00 0.01 0.00 0.00 72.50 72.54 1vjh s THR 65 CO 0.84 0.07 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.60 1vjh s LEU 66 N 0.97 0.89 0.10 4.42 2.96 -1.26 -1.27 118.68 125.49 1vjh s LEU 66 Ca -0.08 -0.27 0.10 0.00 -0.22 0.00 0.00 54.13 53.67 1vjh s LEU 66 Cb -0.11 -0.60 -0.04 0.00 0.50 0.00 0.00 46.19 45.95 1vjh s LEU 66 CO -0.04 -0.19 -0.27 -0.54 -1.32 0.00 0.00 176.35 174.00 1vjh s LYS 67 N 1.86 1.55 -0.05 1.98 1.02 0.47 -4.57 119.74 121.99 1vjh s LYS 67 Ca 0.04 -1.26 0.05 0.00 0.02 0.00 0.00 55.97 54.81 1vjh s LYS 67 Cb -0.13 -1.93 -0.00 0.00 -0.52 0.00 0.00 37.83 35.25 1vjh s LYS 67 CO -0.07 0.47 -0.20 0.20 -0.92 0.00 0.00 175.35 174.84 1vjh s GLY 68 N -1.77 1.05 -0.10 -3.33 0.00 0.12 -0.07 107.32 103.22 1vjh s GLY 68 Ca 0.13 -0.79 0.04 0.00 0.00 0.00 0.00 44.72 44.10 1vjh s GLY 68 CO 0.05 -0.39 -0.22 -0.56 0.00 0.00 0.00 173.10 171.97 1vjh s SER 69 N 0.07 2.91 -0.00 1.64 0.01 0.22 -0.86 113.70 117.68 1vjh s SER 69 Ca -0.06 -0.53 0.03 0.00 1.31 0.00 0.00 55.95 56.70 1vjh s SER 69 Cb -0.13 -1.33 -0.03 0.00 0.21 0.00 0.00 66.02 64.73 1vjh s SER 69 CO 0.03 0.14 -0.06 -0.51 0.41 0.00 0.00 173.24 173.26 1vjh s ILE 70 N 0.39 3.72 -0.04 1.44 2.07 -1.26 -0.51 121.20 127.02 1vjh s ILE 70 Ca -0.18 -0.73 0.02 0.00 -1.41 0.00 0.00 60.65 58.34 1vjh s ILE 70 Cb -0.18 -2.62 0.01 0.00 0.13 0.00 0.00 42.46 39.81 1vjh s ILE 70 CO 0.08 0.40 -0.07 0.00 -1.91 0.00 0.00 174.94 173.45 1vjh s ALA 71 N -1.00 0.76 -0.14 1.50 0.00 -0.16 -4.31 121.76 118.42 1vjh s ALA 71 Ca 0.17 -0.17 0.02 0.00 0.00 0.00 0.00 51.96 51.98 1vjh s ALA 71 Cb -0.11 -0.38 0.00 0.00 0.00 0.00 0.00 23.12 22.63 1vjh s ALA 71 CO 0.07 0.06 -0.19 0.08 0.00 0.00 0.00 175.76 175.78 1vjh s VAL 72 N 0.62 2.36 0.00 0.00 1.01 -0.44 -0.65 120.40 123.31 1vjh s VAL 72 Ca -0.09 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.04 1vjh s VAL 72 Cb -0.12 -1.96 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 1vjh s VAL 72 CO 0.01 0.54 -0.12 0.42 0.00 0.00 0.00 175.10 175.94 1vjh s THR 73 N 0.68 0.98 0.35 3.92 -4.23 -0.00 -4.68 115.64 112.67 1vjh s THR 73 Ca -0.09 -0.62 -0.28 0.00 -1.18 0.00 0.00 61.69 59.51 1vjh s THR 73 Cb -0.16 -0.84 -0.11 0.00 1.34 0.00 0.00 72.50 72.73 1vjh s THR 73 CO 0.02 0.21 1.40 -2.84 -0.54 0.00 0.00 174.62 172.86 1vjh s PRO 74 N -0.47 4.23 -0.10 3.99 0.02 -1.26 -0.60 135.00 140.81 1vjh s PRO 74 Ca 0.04 2.40 -0.13 0.00 0.02 0.00 0.00 61.00 63.32 1vjh s PRO 74 Cb -0.05 -3.02 -0.11 0.00 0.02 0.00 0.00 34.50 31.34 1vjh s PRO 74 CO -0.00 -0.36 0.42 0.82 -0.33 0.00 0.00 177.00 177.55 1vjh h ILE 75 N 3.00 0.67 0.00 2.83 2.04 -1.63 -3.44 117.51 120.99 1vjh h ILE 75 Ca -0.50 -1.39 0.00 0.00 1.00 0.00 0.00 64.86 63.97 1vjh h ILE 75 Cb 1.23 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 38.56 1vjh h ILE 75 CO 0.65 0.22 0.00 0.61 0.00 0.00 0.00 178.15 179.62 1vjh n GLY 76 N 1.42 2.45 2.46 5.37 0.00 -1.26 -5.02 105.19 110.61 1vjh n GLY 76 Ca -0.05 -0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 1vjh n GLY 76 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1vjh n VAL 77 N 0.00 0.29 -0.26 1.61 0.31 -1.26 -4.72 118.33 114.30 1vjh n VAL 77 Ca 0.00 -4.27 0.00 0.00 -0.01 0.00 0.00 64.34 60.06 1vjh n VAL 77 Cb 0.00 -1.95 0.00 0.00 -0.91 0.00 0.00 33.84 30.98 1vjh n VAL 77 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1vjh n GLY 78 N 1.85 0.72 0.39 2.92 0.00 -1.26 -4.98 105.19 104.84 1vjh n GLY 78 Ca 0.25 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.34 1vjh n GLY 78 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1vjh n ASP 79 N 0.00 1.15 0.00 1.61 8.00 -1.26 -4.96 116.55 121.08 1vjh n ASP 79 Ca 0.00 -1.81 0.00 0.00 0.71 0.00 0.00 54.79 53.69 1vjh n ASP 79 Cb 0.00 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 1vjh n ASP 79 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vjh n GLY 80 N 0.93 -1.79 3.12 0.44 0.00 -1.24 -4.75 105.19 101.91 1vjh n GLY 80 Ca 0.11 -1.79 -0.11 0.00 0.00 0.00 0.00 46.02 44.23 1vjh n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vjh s SER 81 N -4.00 0.03 -0.04 1.61 0.01 -0.10 -1.65 113.70 109.56 1vjh s SER 81 Ca 0.00 -0.23 -0.18 0.00 1.31 0.00 0.00 55.95 56.85 1vjh s SER 81 Cb 0.00 0.22 -0.05 0.00 0.21 0.00 0.00 66.02 66.40 1vjh s SER 81 CO 0.00 -0.41 0.51 -1.00 0.41 0.00 0.00 173.24 172.75 1vjh s HIS 82 N -1.60 3.64 -0.14 2.43 3.76 0.24 -0.67 115.29 122.96 1vjh s HIS 82 Ca -0.13 1.05 0.01 0.00 -0.15 0.00 0.00 55.06 55.84 1vjh s HIS 82 Cb -0.06 -2.50 0.00 0.00 1.11 0.00 0.00 32.58 31.12 1vjh s HIS 82 CO 0.01 0.38 -0.19 0.08 -0.85 0.00 0.00 174.74 174.17 1vjh s VAL 83 N -0.19 2.41 -0.20 -0.90 1.01 0.41 -0.82 120.40 122.11 1vjh s VAL 83 Ca 0.27 -0.87 -0.05 0.00 0.00 0.00 0.00 61.98 61.34 1vjh s VAL 83 Cb -0.17 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 1vjh s VAL 83 CO 0.14 0.53 -0.00 -0.69 0.00 0.00 0.00 175.10 175.08 1vjh s VAL 84 N 0.72 3.90 -0.12 2.92 1.01 0.18 -2.01 120.40 127.00 1vjh s VAL 84 Ca -0.08 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.58 1vjh s VAL 84 Cb -0.16 -2.77 0.02 0.00 0.00 0.00 0.00 36.38 33.47 1vjh s VAL 84 CO 0.01 0.42 -0.15 0.86 0.00 0.00 0.00 175.10 176.24 1vjh s TRP 85 N 1.09 2.05 -0.07 5.22 -0.11 -0.27 -0.99 118.94 125.86 1vjh s TRP 85 Ca 0.02 -1.01 0.04 0.00 1.22 0.00 0.00 56.10 56.36 1vjh s TRP 85 Cb -0.14 -1.48 0.00 0.00 -1.50 0.00 0.00 33.47 30.35 1vjh s TRP 85 CO 0.01 -0.53 -0.18 0.99 -4.62 0.00 0.00 176.95 172.62 1vjh s THR 86 N 1.11 1.57 -0.23 5.86 2.01 0.33 -1.11 115.64 125.18 1vjh s THR 86 Ca -0.04 -0.76 -0.13 0.00 0.31 0.00 0.00 61.69 61.08 1vjh s THR 86 Cb -0.14 -1.37 -0.04 0.00 0.01 0.00 0.00 72.50 70.95 1vjh s THR 86 CO -0.04 0.45 0.27 -0.36 -0.69 0.00 0.00 174.62 174.25 1vjh s PHE 87 N 0.32 3.32 -0.16 4.92 2.99 0.10 -0.61 117.98 128.85 1vjh s PHE 87 Ca -0.12 0.38 -0.06 0.00 0.00 0.00 0.00 56.93 57.13 1vjh s PHE 87 Cb -0.15 -2.41 -0.04 0.00 0.00 0.00 0.00 43.02 40.43 1vjh s PHE 87 CO 0.05 -0.02 0.04 -1.01 -0.00 0.00 0.00 175.22 174.28 1vjh s HIS 88 N 1.33 3.22 0.08 0.36 3.76 0.90 -1.19 115.29 123.76 1vjh s HIS 88 Ca 0.12 0.05 -0.09 0.00 -0.15 0.00 0.00 55.06 54.99 1vjh s HIS 88 Cb -0.14 -2.02 0.00 0.00 1.11 0.00 0.00 32.58 31.53 1vjh s HIS 88 CO 0.07 0.19 0.20 -0.59 -0.85 0.00 0.00 174.74 173.75 1vjh s PHE 89 N 0.15 0.13 -0.14 1.40 -0.12 -0.35 -0.40 117.98 118.65 1vjh s PHE 89 Ca 0.03 -0.53 0.00 0.00 -0.05 0.00 0.00 56.93 56.38 1vjh s PHE 89 Cb -0.12 -0.04 0.02 0.00 -0.63 0.00 0.00 43.02 42.25 1vjh s PHE 89 CO 0.01 -0.54 -0.12 -2.00 -0.05 0.00 0.00 175.22 172.52 1vjh s GLU 90 N -3.73 2.05 0.60 1.99 2.12 -0.39 -1.56 118.70 119.77 1vjh s GLU 90 Ca 0.04 -0.49 -0.17 0.00 0.36 0.00 0.00 54.97 54.71 1vjh s GLU 90 Cb 0.04 -1.98 -0.03 0.00 0.26 0.00 0.00 34.13 32.42 1vjh s GLU 90 CO -0.10 -0.26 1.11 0.15 -0.54 0.00 0.00 175.26 175.61 1vjh s LYS 91 N 1.55 3.11 0.11 4.30 1.02 -0.01 -0.36 119.74 129.44 1vjh s LYS 91 Ca 0.04 1.44 -0.15 0.00 0.02 0.00 0.00 55.97 57.33 1vjh s LYS 91 Cb -0.13 -1.99 -0.06 0.00 -0.52 0.00 0.00 37.83 35.13 1vjh s LYS 91 CO -0.10 -1.01 1.48 -0.39 -0.92 0.00 0.00 175.35 174.41 1vjh h VAL 92 N 0.56 1.29 -4.20 3.17 -1.51 -0.64 -3.39 116.25 111.53 1vjh h VAL 92 Ca -0.48 -1.24 -0.15 0.00 -1.23 0.00 0.00 66.70 63.59 1vjh h VAL 92 Cb 1.25 1.39 -0.14 0.00 -2.13 0.00 0.00 31.29 31.66 1vjh h VAL 92 CO 0.56 0.40 -0.49 -1.38 -1.23 0.00 0.00 177.57 175.43 1vjh s HIS 93 N -4.65 0.70 0.60 5.19 0.00 -1.26 -4.97 115.29 110.90 1vjh s HIS 93 Ca -0.13 -1.05 0.30 0.00 -3.00 0.00 0.00 55.06 51.19 1vjh s HIS 93 Cb 0.09 -0.29 1.74 0.00 -4.00 0.00 0.00 32.58 30.11 1vjh s HIS 93 CO 0.81 -0.64 2.13 1.57 -1.00 0.00 0.00 174.74 177.62 1vjh h LYS 94 N 2.68 0.00 -0.00 -0.38 2.10 -1.88 -1.66 116.57 117.43 1vjh h LYS 94 Ca -0.33 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.32 1vjh h LYS 94 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 1vjh h LYS 94 CO 0.53 0.00 -0.05 -0.25 -2.00 0.00 0.00 179.45 177.68 1vjh n ASP 95 N -3.71 0.07 -4.74 7.07 9.92 -1.26 -4.84 116.55 119.05 1vjh n ASP 95 Ca 0.00 0.19 -0.41 0.00 -0.53 0.00 0.00 54.79 54.04 1vjh n ASP 95 Cb 0.27 -0.35 -0.02 0.00 -0.64 0.00 0.00 41.12 40.38 1vjh n ASP 95 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1vjh s ILE 96 N -2.85 2.76 0.57 0.53 -1.09 -0.63 -4.99 121.20 115.50 1vjh s ILE 96 Ca 0.19 0.64 -0.18 0.00 -2.23 0.00 0.00 60.65 59.06 1vjh s ILE 96 Cb 0.19 -3.41 -0.05 0.00 -1.58 0.00 0.00 42.46 37.62 1vjh s ILE 96 CO 0.52 0.10 1.11 -1.81 -1.23 0.00 0.00 174.94 173.64 1vjh s ASP 97 N 0.32 5.65 0.60 3.58 -0.00 -1.26 -4.99 116.67 120.56 1vjh s ASP 97 Ca 0.58 2.09 -0.20 0.00 -0.00 0.00 0.00 52.55 55.02 1vjh s ASP 97 Cb -0.41 -2.57 -0.03 0.00 -0.00 0.00 0.00 42.92 39.91 1vjh s ASP 97 CO 0.43 -1.27 1.34 -1.81 -0.00 0.00 0.00 175.17 173.86 1vjh s ASP 98 N -2.04 4.93 -0.74 0.27 1.01 -1.26 -4.81 116.67 114.03 1vjh s ASP 98 Ca 0.70 2.72 -0.06 0.00 0.71 0.00 0.00 52.55 56.62 1vjh s ASP 98 Cb -0.22 -2.63 -0.12 0.00 1.01 0.00 0.00 42.92 40.96 1vjh s ASP 98 CO 0.30 -1.80 2.67 -0.81 0.21 0.00 0.00 175.17 175.74 1vjh n PRO 99 N -1.45 2.31 -0.07 8.23 -0.04 -1.26 -4.62 135.00 138.09 1vjh n PRO 99 Ca 0.13 -1.38 -0.11 0.00 -0.04 0.00 0.00 63.50 62.10 1vjh n PRO 99 Cb 0.46 -2.32 -0.04 0.00 -0.04 0.00 0.00 33.50 31.57 1vjh n PRO 99 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1vjh h HIS 100 N 4.89 0.38 -0.01 0.54 3.86 -1.99 -0.70 115.15 122.12 1vjh h HIS 100 Ca 0.46 -0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.63 1vjh h HIS 100 Cb 0.60 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 28.96 1vjh h HIS 100 CO 1.80 0.44 0.00 0.77 0.86 0.00 0.00 177.93 181.80 1vjh h SER 101 N 0.20 0.01 -0.57 2.45 0.02 -1.99 -1.85 113.55 111.81 1vjh h SER 101 Ca 0.07 -0.14 0.10 0.00 -0.84 0.00 0.00 61.79 60.98 1vjh h SER 101 Cb 0.25 -0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.71 1vjh h SER 101 CO -0.00 0.15 0.16 0.40 -1.14 0.00 0.00 176.83 176.40 1vjh h ILE 102 N -0.13 0.71 -0.03 3.27 5.03 -1.92 -1.37 117.51 123.07 1vjh h ILE 102 Ca 0.00 -0.11 -0.19 0.00 -0.12 0.00 0.00 64.86 64.44 1vjh h ILE 102 Cb 0.15 0.38 -0.01 0.00 -3.03 0.00 0.00 36.82 34.31 1vjh h ILE 102 CO -0.00 0.06 -0.82 -0.29 -0.68 0.00 0.00 178.15 176.42 1vjh h ILE 103 N 0.31 1.43 -0.47 -0.67 2.10 -0.96 -1.25 117.51 118.00 1vjh h ILE 103 Ca 0.29 -2.38 -0.03 0.00 1.08 0.00 0.00 64.86 63.82 1vjh h ILE 103 Cb 0.40 2.31 -0.02 0.00 -1.09 0.00 0.00 36.82 38.41 1vjh h ILE 103 CO -0.34 0.70 0.15 -0.78 -1.08 0.00 0.00 178.15 176.80 1vjh h ASP 104 N 0.19 0.62 -0.41 2.19 3.58 -1.07 -0.21 116.42 121.32 1vjh h ASP 104 Ca -0.04 -0.08 -0.08 0.00 0.42 0.00 0.00 57.03 57.24 1vjh h ASP 104 Cb 1.42 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 42.29 1vjh h ASP 104 CO 0.13 0.59 -0.03 -0.33 -2.88 0.00 0.00 179.24 176.72 1vjh h GLU 105 N 0.67 0.82 -0.35 0.28 4.39 -0.77 -2.12 114.58 117.49 1vjh h GLU 105 Ca 0.16 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 1vjh h GLU 105 Cb 0.19 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 1vjh h GLU 105 CO -0.01 0.85 0.17 0.77 -1.16 0.00 0.00 179.01 179.63 1vjh h SER 106 N 0.76 0.46 -0.45 1.42 0.02 -0.29 -0.39 113.55 115.07 1vjh h SER 106 Ca 0.14 -0.12 0.05 0.00 -0.84 0.00 0.00 61.79 61.02 1vjh h SER 106 Cb 0.51 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 62.88 1vjh h SER 106 CO 0.03 0.45 0.19 0.58 -1.14 0.00 0.00 176.83 176.94 1vjh h VAL 107 N 0.44 0.90 -0.48 2.27 2.07 -0.86 0.11 116.25 120.69 1vjh h VAL 107 Ca 0.12 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.56 1vjh h VAL 107 Cb 0.11 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 1vjh h VAL 107 CO -0.02 0.07 0.24 0.11 0.02 0.00 0.00 177.57 177.99 1vjh h LYS 108 N 0.38 0.45 -0.32 1.57 1.57 -1.15 0.21 116.57 119.28 1vjh h LYS 108 Ca 0.21 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 59.01 1vjh h LYS 108 Cb 0.17 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 1vjh h LYS 108 CO -0.18 0.30 0.05 -0.92 -0.57 0.00 0.00 179.45 178.13 1vjh h TYR 109 N 0.46 0.08 -0.53 -1.35 5.03 -0.40 -1.53 116.97 118.73 1vjh h TYR 109 Ca 0.21 0.02 -0.09 0.00 2.58 0.00 0.00 58.73 61.45 1vjh h TYR 109 Cb 0.13 0.01 -0.02 0.00 1.55 0.00 0.00 36.73 38.41 1vjh h TYR 109 CO -0.11 0.00 -0.04 0.74 -1.32 0.00 0.00 178.16 177.43 1vjh h PHE 110 N 0.16 1.03 -0.13 -3.82 0.04 -0.30 0.16 116.94 114.08 1vjh h PHE 110 Ca 0.15 -0.18 -0.12 0.00 2.80 0.00 0.00 57.97 60.62 1vjh h PHE 110 Cb 0.17 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 38.04 1vjh h PHE 110 CO -0.19 0.94 -0.45 0.87 -0.60 0.00 0.00 178.31 178.89 1vjh h LYS 111 N 0.86 0.32 -0.32 1.51 1.57 -0.73 -0.61 116.57 119.18 1vjh h LYS 111 Ca 0.15 -0.17 -0.13 0.00 -1.87 0.00 0.00 60.65 58.63 1vjh h LYS 111 Cb 0.57 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 1vjh h LYS 111 CO 0.03 0.71 -0.31 0.87 -0.57 0.00 0.00 179.45 180.18 1vjh h LYS 112 N 0.26 0.77 -0.47 3.15 1.57 -0.95 -1.55 116.57 119.35 1vjh h LYS 112 Ca 0.02 -0.41 0.09 0.00 -1.87 0.00 0.00 60.65 58.49 1vjh h LYS 112 Cb 0.90 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 33.13 1vjh h LYS 112 CO 0.07 1.03 -0.14 1.25 -0.57 0.00 0.00 179.45 181.10 1vjh h LEU 113 N 0.54 -0.50 -0.20 2.94 5.85 -0.48 0.94 115.31 124.39 1vjh h LEU 113 Ca 0.05 0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.97 1vjh h LEU 113 Cb 0.89 0.31 -0.05 0.00 0.37 0.00 0.00 40.66 42.19 1vjh h LEU 113 CO 0.08 -0.18 -0.12 -0.78 -0.34 0.00 0.00 178.44 177.11 1vjh h ASP 114 N -0.03 -0.38 -0.63 1.25 -0.00 -0.94 -1.96 116.42 113.73 1vjh h ASP 114 Ca 0.23 0.09 -0.08 0.00 -0.00 0.00 0.00 57.03 57.26 1vjh h ASP 114 Cb 0.37 0.20 -0.03 0.00 -0.00 0.00 0.00 39.33 39.88 1vjh h ASP 114 CO -0.50 -0.15 0.08 -0.33 -0.00 0.00 0.00 179.24 178.34 1vjh h GLU 115 N -0.10 1.07 -0.57 0.28 4.39 -0.98 -1.28 114.58 117.38 1vjh h GLU 115 Ca 0.11 -0.30 0.04 0.00 0.34 0.00 0.00 59.36 59.55 1vjh h GLU 115 Cb 0.27 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.76 1vjh h GLU 115 CO -0.27 1.00 0.33 0.00 -1.16 0.00 0.00 179.01 178.91 1vjh h ALA 116 N 1.07 0.74 0.00 3.43 0.00 -0.47 -2.95 119.26 121.09 1vjh h ALA 116 Ca 0.19 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.94 1vjh h ALA 116 Cb 0.47 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1vjh h ALA 116 CO 0.02 0.03 -1.81 0.44 0.00 0.00 0.00 179.25 177.93 1vjh n ILE 117 N -4.79 0.87 -0.06 0.00 -5.35 -0.77 -3.78 119.36 105.48 1vjh n ILE 117 Ca 0.05 -0.67 -0.08 0.00 -0.27 0.00 0.00 62.75 61.79 1vjh n ILE 117 Cb 0.11 -0.43 -0.01 0.00 -1.74 0.00 0.00 39.64 37.56 1vjh n ILE 117 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 1vjh h LEU 118 N 0.00 -0.12 -3.34 7.28 5.85 -1.28 -3.03 115.31 120.67 1vjh h LEU 118 Ca -0.21 0.06 -0.29 0.00 0.84 0.00 0.00 57.88 58.28 1vjh h LEU 118 Cb 1.55 0.11 -0.13 0.00 0.37 0.00 0.00 40.66 42.56 1vjh h LEU 118 CO 0.03 -0.03 0.38 0.59 -0.34 0.00 0.00 178.44 179.06 1vjh n ASN 119 N -5.16 5.79 0.00 1.25 5.03 -1.12 -5.11 115.26 115.94 1vjh n ASN 119 Ca -0.01 -2.97 0.00 0.00 0.87 0.00 0.00 54.58 52.47 1vjh n ASN 119 Cb 0.13 -0.98 0.00 0.00 -1.02 0.00 0.00 39.78 37.92 1vjh n ASN 119 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76