#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k46 n LEU 3 N 0.00 0.00 -4.76 -4.53 4.32 -1.26 -4.98 117.00 105.80 1k46 n LEU 3 Ca 0.00 0.00 -0.37 0.00 -0.02 0.00 0.00 56.01 55.62 1k46 n LEU 3 Cb 0.00 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 41.82 1k46 n LEU 3 CO 0.00 0.00 0.89 -0.94 -1.22 0.00 0.00 177.39 176.12 1k46 s SER 4 N -0.58 5.58 0.18 -1.43 1.04 -1.26 -4.78 113.70 112.46 1k46 s SER 4 Ca 0.00 2.51 -0.17 0.00 0.48 0.00 0.00 55.95 58.77 1k46 s SER 4 Cb 0.00 -2.61 0.14 0.00 0.10 0.00 0.00 66.02 63.65 1k46 s SER 4 CO 0.00 -1.34 1.64 0.25 0.98 0.00 0.00 173.24 174.78 1k46 h LEU 5 N 1.54 -0.56 -0.70 2.42 5.85 -2.00 0.79 115.31 122.65 1k46 h LEU 5 Ca -0.50 0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.37 1k46 h LEU 5 Cb 1.28 0.34 -0.03 0.00 0.37 0.00 0.00 40.66 42.62 1k46 h LEU 5 CO 0.58 -0.19 0.43 0.77 -0.34 0.00 0.00 178.44 179.68 1k46 h SER 6 N -0.04 0.83 0.01 1.25 4.64 -1.99 -0.05 113.55 118.20 1k46 h SER 6 Ca 0.23 -0.06 -0.20 0.00 -0.47 0.00 0.00 61.79 61.30 1k46 h SER 6 Cb 0.40 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1k46 h SER 6 CO -0.52 0.64 -0.71 0.44 -0.87 0.00 0.00 176.83 175.81 1k46 h ASP 7 N 0.95 0.74 -0.05 4.97 3.32 -1.81 -0.74 116.42 123.81 1k46 h ASP 7 Ca 0.25 -0.47 0.00 0.00 0.02 0.00 0.00 57.03 56.84 1k46 h ASP 7 Cb -0.04 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.29 1k46 h ASP 7 CO -0.05 1.23 0.01 0.25 -1.72 0.00 0.00 179.24 178.97 1k46 h LEU 8 N 0.44 0.01 -1.29 1.55 5.85 -0.60 0.21 115.31 121.49 1k46 h LEU 8 Ca -0.03 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1k46 h LEU 8 Cb 1.31 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.31 1k46 h LEU 8 CO 0.14 0.02 0.35 -0.74 -0.34 0.00 0.00 178.44 177.86 1k46 h HIS 9 N 0.04 0.81 -0.35 1.25 2.76 -0.93 -0.63 115.15 118.09 1k46 h HIS 9 Ca 0.02 -0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.13 1k46 h HIS 9 Cb 0.01 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 28.69 1k46 h HIS 9 CO -0.09 0.55 0.01 -0.09 -1.30 0.00 0.00 177.93 177.02 1k46 h ARG 10 N 0.84 0.61 -0.69 5.26 2.43 -0.41 0.16 114.38 122.59 1k46 h ARG 10 Ca 0.22 -0.19 -0.07 0.00 -0.81 0.00 0.00 59.98 59.13 1k46 h ARG 10 Cb 0.00 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 1k46 h ARG 10 CO -0.04 0.72 0.15 1.96 -1.51 0.00 0.00 179.97 181.25 1k46 h GLN 11 N 0.43 1.11 -0.22 0.20 4.20 -0.10 -1.42 115.11 119.31 1k46 h GLN 11 Ca 0.10 -0.27 -0.20 0.00 0.06 0.00 0.00 58.65 58.33 1k46 h GLN 11 Cb 0.44 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.08 1k46 h GLN 11 CO 0.02 0.99 -0.66 0.28 -0.67 0.00 0.00 178.83 178.78 1k46 h VAL 12 N 1.05 1.28 -0.71 -0.54 2.07 -0.97 -2.64 116.25 115.78 1k46 h VAL 12 Ca 0.21 -1.85 -0.05 0.00 0.82 0.00 0.00 66.70 65.83 1k46 h VAL 12 Cb 0.39 1.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 1k46 h VAL 12 CO 0.01 0.60 0.23 0.28 0.02 0.00 0.00 177.57 178.70 1k46 h SER 13 N 0.60 1.03 -0.50 0.57 0.02 -0.55 -1.57 113.55 113.14 1k46 h SER 13 Ca -0.02 -0.20 0.05 0.00 -0.84 0.00 0.00 61.79 60.78 1k46 h SER 13 Cb 1.28 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 63.50 1k46 h SER 13 CO 0.14 0.95 0.24 -0.09 -1.14 0.00 0.00 176.83 176.94 1k46 h ARG 14 N 1.04 0.46 -0.49 3.45 2.43 -1.23 0.16 114.38 120.20 1k46 h ARG 14 Ca 0.23 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.28 1k46 h ARG 14 Cb 0.29 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 1k46 h ARG 14 CO -0.01 0.30 -0.06 -0.07 -1.51 0.00 0.00 179.97 178.62 1k46 h LEU 15 N 0.47 0.90 -0.61 3.80 3.38 -1.09 -1.66 115.31 120.50 1k46 h LEU 15 Ca 0.22 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1k46 h LEU 15 Cb 0.15 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1k46 h LEU 15 CO -0.17 1.02 0.40 0.58 0.09 0.00 0.00 178.44 180.36 1k46 h VAL 16 N 0.75 1.16 -0.22 1.22 2.07 -0.78 -1.32 116.25 119.13 1k46 h VAL 16 Ca 0.13 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 1k46 h VAL 16 Cb 0.60 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1k46 h VAL 16 CO 0.04 0.16 0.09 1.56 0.02 0.00 0.00 177.57 179.44 1k46 h GLN 17 N 0.83 0.30 0.00 1.57 4.20 -0.46 0.79 115.11 122.35 1k46 h GLN 17 Ca 0.22 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1k46 h GLN 17 Cb -0.09 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.63 1k46 h GLN 17 CO -0.05 0.25 0.00 1.04 -0.67 0.00 0.00 178.83 179.40 1k46 n GLN 18 N -4.45 0.99 -2.13 1.46 6.02 -0.55 -4.89 117.38 113.82 1k46 n GLN 18 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.92 1k46 n GLN 18 Cb 0.12 -1.17 -0.00 0.00 1.02 0.00 0.00 30.24 30.20 1k46 n GLN 18 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1k46 n GLU 19 N -0.67 -0.58 -0.67 -1.09 1.02 0.27 -4.94 120.64 113.98 1k46 n GLU 19 Ca 0.08 0.36 -0.00 0.00 -0.02 0.00 0.00 57.16 57.58 1k46 n GLU 19 Cb 0.04 -4.27 0.22 0.00 -0.02 0.00 0.00 31.44 27.41 1k46 n GLU 19 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1k46 n SER 20 N 0.60 3.00 -0.13 1.62 7.64 -0.87 -4.74 113.62 120.75 1k46 n SER 20 Ca -0.09 -3.49 0.04 0.00 1.01 0.00 0.00 58.87 56.35 1k46 n SER 20 Cb 0.56 -0.61 0.35 0.00 -1.01 0.00 0.00 64.21 63.51 1k46 n SER 20 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1k46 h GLY 21 N 1.24 0.84 2.00 0.23 0.00 -1.76 -1.44 103.07 104.18 1k46 h GLY 21 Ca 0.15 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1k46 h GLY 21 CO 0.34 0.26 0.00 1.22 0.00 0.00 0.00 176.54 178.37 1k46 n ASP 22 N -4.46 0.53 -4.81 0.19 8.00 -1.26 -4.81 116.55 109.93 1k46 n ASP 22 Ca 0.07 0.57 -0.33 0.00 0.71 0.00 0.00 54.79 55.81 1k46 n ASP 22 Cb 0.12 -0.71 -0.04 0.00 -0.02 0.00 0.00 41.12 40.47 1k46 n ASP 22 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k46 s THR 24 N -2.22 4.53 0.28 0.00 -4.23 -1.26 -5.04 115.64 107.70 1k46 s THR 24 Ca 0.63 1.21 -0.10 0.00 -1.18 0.00 0.00 61.69 62.25 1k46 s THR 24 Cb -0.12 -3.66 -0.07 0.00 1.34 0.00 0.00 72.50 69.99 1k46 s THR 24 CO 0.21 -0.44 0.62 -0.83 -0.54 0.00 0.00 174.62 173.63 1k46 s GLY 25 N -2.61 2.19 -0.05 3.99 0.00 -1.26 -5.08 107.32 104.50 1k46 s GLY 25 Ca 0.58 -0.23 0.03 0.00 0.00 0.00 0.00 44.72 45.11 1k46 s GLY 25 CO 0.22 -0.07 -0.15 0.54 0.00 0.00 0.00 173.10 173.64 1k46 s LYS 26 N -3.09 1.75 -0.05 2.90 1.02 -1.26 -5.13 119.74 115.87 1k46 s LYS 26 Ca 0.49 -0.52 0.02 0.00 0.02 0.00 0.00 55.97 55.98 1k46 s LYS 26 Cb -0.11 -1.47 0.02 0.00 -0.52 0.00 0.00 37.83 35.74 1k46 s LYS 26 CO 0.23 0.14 -0.08 -1.17 -0.92 0.00 0.00 175.35 173.54 1k46 s LEU 27 N 0.33 1.53 -0.03 3.17 0.20 -1.26 -5.12 118.68 117.50 1k46 s LEU 27 Ca -0.09 -0.21 -0.04 0.00 0.69 0.00 0.00 54.13 54.47 1k46 s LEU 27 Cb -0.13 -0.63 0.01 0.00 -0.43 0.00 0.00 46.19 45.01 1k46 s LEU 27 CO 0.03 0.00 0.11 -0.60 -0.29 0.00 0.00 176.35 175.61 1k46 s ARG 28 N 0.70 0.22 0.09 1.98 6.06 -1.26 -5.03 118.95 121.71 1k46 s ARG 28 Ca -0.12 0.01 -0.04 0.00 -2.50 0.00 0.00 55.73 53.07 1k46 s ARG 28 Cb -0.14 0.10 -0.02 0.00 0.06 0.00 0.00 34.95 34.94 1k46 s ARG 28 CO 0.02 -0.04 0.09 0.20 -2.50 0.00 0.00 175.30 173.07 1k46 s GLY 29 N -0.32 0.46 -0.14 8.12 0.00 -1.26 -5.05 107.32 109.14 1k46 s GLY 29 Ca -0.04 -1.05 0.02 0.00 0.00 0.00 0.00 44.72 43.66 1k46 s GLY 29 CO 0.00 -1.12 -0.21 -1.31 0.00 0.00 0.00 173.10 170.46 1k46 s ASN 30 N -2.93 3.04 0.08 1.64 0.01 -1.26 -5.10 114.94 110.43 1k46 s ASN 30 Ca 0.11 -0.59 -0.30 0.00 -0.71 0.00 0.00 52.86 51.37 1k46 s ASN 30 Cb 0.06 -1.41 -0.06 0.00 0.41 0.00 0.00 41.25 40.25 1k46 s ASN 30 CO -0.07 0.07 1.17 -0.69 -1.51 0.00 0.00 177.10 176.08 1k46 s VAL 31 N 0.85 4.03 0.08 1.60 1.01 -1.26 -5.04 120.40 121.67 1k46 s VAL 31 Ca -0.07 1.50 0.08 0.00 0.00 0.00 0.00 61.98 63.50 1k46 s VAL 31 Cb -0.15 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 1k46 s VAL 31 CO -0.02 0.14 -0.22 0.00 0.00 0.00 0.00 175.10 175.00 1k46 s ALA 32 N 0.82 1.88 0.18 5.51 0.00 -1.26 -5.13 121.76 123.77 1k46 s ALA 32 Ca 0.57 -1.21 -0.18 0.00 0.00 0.00 0.00 51.96 51.13 1k46 s ALA 32 Cb -0.29 -0.30 -0.08 0.00 0.00 0.00 0.00 23.12 22.45 1k46 s ALA 32 CO 0.30 0.40 0.66 0.00 0.00 0.00 0.00 175.76 177.13 1k46 s ALA 33 N -1.01 3.48 -0.56 0.00 0.00 -1.26 -5.01 121.76 117.39 1k46 s ALA 33 Ca 0.08 0.08 -0.21 0.00 0.00 0.00 0.00 51.96 51.91 1k46 s ALA 33 Cb -0.10 -2.73 0.06 0.00 0.00 0.00 0.00 23.12 20.35 1k46 s ALA 33 CO 0.04 0.37 0.81 1.21 0.00 0.00 0.00 175.76 178.18 1k46 s ASN 34 N -1.58 6.25 0.00 0.00 2.47 -1.26 -4.83 114.94 115.98 1k46 s ASN 34 Ca 0.40 -0.79 0.20 0.00 0.42 0.00 0.00 52.86 53.09 1k46 s ASN 34 Cb -0.17 -2.37 0.43 0.00 -1.45 0.00 0.00 41.25 37.69 1k46 s ASN 34 CO 0.21 -1.14 1.37 0.29 -3.72 0.00 0.00 177.10 174.10 1k46 n LYS 35 N 6.93 2.45 -0.08 0.43 5.02 -1.26 -4.48 118.16 127.17 1k46 n LYS 35 Ca -0.04 -2.25 -0.10 0.00 -2.02 0.00 0.00 58.31 53.90 1k46 n LYS 35 Cb 0.46 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 33.95 1k46 n LYS 35 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1k46 h GLU 36 N 3.94 0.00 -6.09 1.97 4.81 -2.04 -3.49 114.58 113.68 1k46 h GLU 36 Ca 0.00 0.00 -0.57 0.00 -0.13 0.00 0.00 59.36 58.66 1k46 h GLU 36 Cb 0.92 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 30.19 1k46 h GLU 36 CO 0.00 0.30 -0.62 0.95 -0.73 0.00 0.00 179.01 178.91 1k46 s THR 37 N -2.27 2.88 0.37 0.32 -4.23 -1.26 -5.15 115.64 106.30 1k46 s THR 37 Ca -0.19 -1.95 0.07 0.00 -1.18 0.00 0.00 61.69 58.45 1k46 s THR 37 Cb 0.03 -2.80 -0.01 0.00 1.34 0.00 0.00 72.50 71.06 1k46 s THR 37 CO 0.33 -0.25 0.46 0.42 -0.54 0.00 0.00 174.62 175.03 1k46 s THR 38 N -2.46 3.56 -0.28 3.99 -4.23 -1.26 -4.88 115.64 110.08 1k46 s THR 38 Ca 0.34 -1.09 -0.29 0.00 -1.18 0.00 0.00 61.69 59.47 1k46 s THR 38 Cb -0.02 -3.22 -0.00 0.00 1.34 0.00 0.00 72.50 70.59 1k46 s THR 38 CO 0.20 -0.10 1.31 0.12 -0.54 0.00 0.00 174.62 175.60 1k46 s PHE 39 N -2.27 2.68 -0.05 3.99 5.36 -1.26 -4.85 117.98 121.58 1k46 s PHE 39 Ca 0.47 0.88 0.10 0.00 -0.96 0.00 0.00 56.93 57.42 1k46 s PHE 39 Cb -0.08 -3.85 0.19 0.00 -0.34 0.00 0.00 43.02 38.93 1k46 s PHE 39 CO 0.31 -1.76 1.09 1.04 -1.46 0.00 0.00 175.22 174.43 1k46 n GLN 40 N 7.22 0.47 -3.40 10.12 6.02 -1.26 -4.99 117.38 131.57 1k46 n GLN 40 Ca 0.15 -1.79 -0.23 0.00 -0.01 0.00 0.00 57.00 55.11 1k46 n GLN 40 Cb 0.46 -0.77 0.06 0.00 1.02 0.00 0.00 30.24 31.01 1k46 n GLN 40 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1k46 n GLY 41 N -0.39 -0.54 3.87 1.08 0.00 -1.26 -4.97 105.19 102.98 1k46 n GLY 41 Ca 0.07 0.22 -0.30 0.00 0.00 0.00 0.00 46.02 46.00 1k46 n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k46 s LEU 42 N -7.10 3.47 0.47 0.99 1.43 -1.26 -4.75 118.68 111.93 1k46 s LEU 42 Ca 0.49 1.32 0.04 0.00 -1.03 0.00 0.00 54.13 54.96 1k46 s LEU 42 Cb -0.22 -4.31 -0.03 0.00 0.03 0.00 0.00 46.19 41.67 1k46 s LEU 42 CO 0.61 -0.69 0.10 0.42 0.23 0.00 0.00 176.35 177.02 1k46 s THR 43 N -2.87 1.66 0.21 5.49 -4.23 -1.26 -0.12 115.64 114.51 1k46 s THR 43 Ca 0.54 -1.86 -0.09 0.00 -1.18 0.00 0.00 61.69 59.10 1k46 s THR 43 Cb -0.11 -2.51 0.15 0.00 1.34 0.00 0.00 72.50 71.37 1k46 s THR 43 CO 0.44 0.00 1.78 0.40 -0.54 0.00 0.00 174.62 176.71 1k46 h ILE 44 N 1.36 0.89 0.00 2.99 1.08 -1.92 -0.28 117.51 121.63 1k46 h ILE 44 Ca -0.43 -0.20 -0.00 0.00 -0.39 0.00 0.00 64.86 63.84 1k46 h ILE 44 Cb 1.28 0.25 -0.00 0.00 -3.07 0.00 0.00 36.82 35.29 1k46 h ILE 44 CO 0.72 0.11 -0.01 0.00 -0.69 0.00 0.00 178.15 178.27 1k46 h ALA 45 N 1.38 1.35 -0.31 1.87 0.00 -1.96 -2.63 119.26 118.97 1k46 h ALA 45 Ca 0.31 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 1k46 h ALA 45 Cb 0.27 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1k46 h ALA 45 CO -0.23 0.02 0.01 -1.13 0.00 0.00 0.00 179.25 177.92 1k46 n SER 46 N -3.61 3.59 0.00 0.00 3.41 -0.30 -4.96 113.62 111.73 1k46 n SER 46 Ca -0.03 -3.21 0.00 0.00 -0.26 0.00 0.00 58.87 55.37 1k46 n SER 46 Cb 0.10 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 1k46 n SER 46 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1k46 n GLY 47 N -0.66 0.74 3.77 5.00 0.00 -0.99 -4.66 105.19 108.39 1k46 n GLY 47 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 1k46 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k46 s ALA 48 N -2.00 3.48 0.57 4.61 0.00 -0.27 -4.98 121.76 123.16 1k46 s ALA 48 Ca 0.00 1.19 -0.16 0.00 0.00 0.00 0.00 51.96 53.00 1k46 s ALA 48 Cb 0.00 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 19.62 1k46 s ALA 48 CO 0.00 -0.55 1.03 1.03 0.00 0.00 0.00 175.76 177.27 1k46 s ARG 49 N -1.74 3.55 0.24 0.00 3.00 -1.26 -4.42 118.95 118.32 1k46 s ARG 49 Ca 0.48 1.08 -0.06 0.00 0.00 0.00 0.00 55.73 57.23 1k46 s ARG 49 Cb -0.38 -2.07 0.28 0.00 0.00 0.00 0.00 34.95 32.78 1k46 s ARG 49 CO 0.51 -0.61 1.89 0.93 0.00 0.00 0.00 175.30 178.01 1k46 h GLU 50 N 0.52 1.10 0.00 3.54 4.39 -1.96 -1.42 114.58 120.76 1k46 h GLU 50 Ca -0.47 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.13 1k46 h GLU 50 Cb 1.20 -0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 29.60 1k46 h GLU 50 CO 0.59 0.73 -0.16 0.66 -1.16 0.00 0.00 179.01 179.67 1k46 h SER 51 N 1.14 0.00 -0.18 1.42 4.64 -1.97 -1.04 113.55 117.56 1k46 h SER 51 Ca 0.36 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.51 1k46 h SER 51 Cb -0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1k46 h SER 51 CO -0.12 0.16 -0.55 -0.33 -0.87 0.00 0.00 176.83 175.12 1k46 h GLU 52 N 0.00 0.70 -0.47 4.77 5.08 -1.54 -1.94 114.58 121.18 1k46 h GLU 52 Ca -0.00 -0.50 -0.07 0.00 -1.00 0.00 0.00 59.36 57.78 1k46 h GLU 52 Cb 0.39 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1k46 h GLU 52 CO 0.02 1.13 0.01 -0.22 -1.00 0.00 0.00 179.01 178.95 1k46 h LYS 53 N 0.40 0.81 -0.49 2.33 3.64 -0.95 -1.32 116.57 120.99 1k46 h LYS 53 Ca -0.02 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 1k46 h LYS 53 Cb 1.17 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.89 1k46 h LYS 53 CO 0.12 0.86 0.31 0.28 -2.27 0.00 0.00 179.45 178.75 1k46 h VAL 54 N 0.67 1.14 0.54 2.00 2.07 -1.21 -0.34 116.25 121.11 1k46 h VAL 54 Ca 0.13 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1k46 h VAL 54 Cb 0.49 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1k46 h VAL 54 CO 0.02 0.14 -0.35 0.15 0.02 0.00 0.00 177.57 177.54 1k46 h PHE 55 N 0.66 -0.94 -0.29 1.57 3.57 -1.10 -0.09 116.94 120.33 1k46 h PHE 55 Ca 0.18 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.73 1k46 h PHE 55 Cb -0.05 0.34 -0.06 0.00 2.79 0.00 0.00 35.95 38.97 1k46 h PHE 55 CO -0.04 -0.53 -0.08 0.00 -2.23 0.00 0.00 178.31 175.44 1k46 h ALA 56 N -0.49 0.18 -0.16 2.41 0.00 -1.13 -1.67 119.26 118.40 1k46 h ALA 56 Ca -0.06 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1k46 h ALA 56 Cb 0.71 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1k46 h ALA 56 CO 0.05 -0.47 -0.20 1.96 0.00 0.00 0.00 179.25 180.60 1k46 h GLN 57 N -0.01 0.28 -0.16 0.00 1.08 -0.99 -0.86 115.11 114.45 1k46 h GLN 57 Ca 0.14 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.25 1k46 h GLN 57 Cb 0.22 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.61 1k46 h GLN 57 CO -0.30 0.47 0.06 1.15 -0.95 0.00 0.00 178.83 179.27 1k46 h THR 58 N 0.26 1.16 -0.46 -0.54 2.02 -0.39 -0.06 112.91 114.91 1k46 h THR 58 Ca 0.05 -0.47 -0.01 0.00 0.77 0.00 0.00 66.41 66.74 1k46 h THR 58 Cb 0.50 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 1k46 h THR 58 CO 0.03 0.15 0.23 0.58 0.37 0.00 0.00 175.52 176.88 1k46 h VAL 59 N 0.10 1.18 -0.57 3.16 2.07 -1.08 -2.03 116.25 119.09 1k46 h VAL 59 Ca 0.05 -0.49 0.08 0.00 0.82 0.00 0.00 66.70 67.17 1k46 h VAL 59 Cb 0.17 0.66 -0.07 0.00 -1.52 0.00 0.00 31.29 30.54 1k46 h VAL 59 CO -0.00 0.19 0.20 0.25 0.02 0.00 0.00 177.57 178.23 1k46 h LEU 60 N 0.60 0.20 -0.56 2.57 5.85 -0.90 -1.90 115.31 121.18 1k46 h LEU 60 Ca 0.16 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.95 1k46 h LEU 60 Cb 0.10 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1k46 h LEU 60 CO -0.02 0.13 0.36 0.28 -0.34 0.00 0.00 178.44 178.85 1k46 h SER 61 N 0.38 0.65 0.28 1.25 0.02 -0.62 -2.40 113.55 113.11 1k46 h SER 61 Ca 0.28 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1k46 h SER 61 Cb 0.33 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.71 1k46 h SER 61 CO -0.28 0.48 -0.02 0.45 -1.14 0.00 0.00 176.83 176.32 1k46 h HIS 62 N 0.75 0.00 -0.32 3.45 3.86 -0.64 -2.40 115.15 119.85 1k46 h HIS 62 Ca 0.20 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.39 1k46 h HIS 62 Cb -0.07 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.38 1k46 h HIS 62 CO -0.03 0.02 0.01 1.33 0.86 0.00 0.00 177.93 180.11 1k46 n VAL 63 N -3.23 2.39 -2.00 2.45 0.24 -0.92 -4.85 118.33 112.41 1k46 n VAL 63 Ca -0.02 -1.90 -0.42 0.00 -2.04 0.00 0.00 64.34 59.96 1k46 n VAL 63 Cb 0.15 -0.27 -0.03 0.00 -1.47 0.00 0.00 33.84 32.22 1k46 n VAL 63 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1k46 s ALA 64 N -2.87 3.63 0.00 2.33 0.00 -0.91 -1.71 121.76 122.24 1k46 s ALA 64 Ca 0.44 1.01 0.00 0.00 0.00 0.00 0.00 51.96 53.41 1k46 s ALA 64 Cb 0.36 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1k46 s ALA 64 CO 0.09 -1.27 0.00 0.09 0.00 0.00 0.00 175.76 174.67 1k46 n ASN 65 N 6.56 0.00 -4.69 0.00 3.02 -1.26 -4.97 115.26 113.92 1k46 n ASN 65 Ca 0.16 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.29 1k46 n ASN 65 Cb 0.42 -0.83 -0.03 0.00 -0.61 0.00 0.00 39.78 38.73 1k46 n ASN 65 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1k46 s VAL 66 N -2.99 4.19 0.03 2.41 1.01 -0.69 -4.97 120.40 119.39 1k46 s VAL 66 Ca 0.00 1.52 -0.30 0.00 0.00 0.00 0.00 61.98 63.20 1k46 s VAL 66 Cb 0.00 -3.98 -0.07 0.00 0.00 0.00 0.00 36.38 32.34 1k46 s VAL 66 CO 0.00 -0.00 1.47 -0.69 0.00 0.00 0.00 175.10 175.88 1k46 s VAL 67 N 2.24 3.47 -0.24 2.92 1.01 -1.26 -4.49 120.40 124.05 1k46 s VAL 67 Ca 0.57 0.90 -0.08 0.00 0.00 0.00 0.00 61.98 63.37 1k46 s VAL 67 Cb -0.25 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 1k46 s VAL 67 CO 0.22 0.01 0.09 -0.76 0.00 0.00 0.00 175.10 174.66 1k46 s LEU 68 N 2.33 3.61 1.01 3.92 1.43 0.86 -4.88 118.68 126.95 1k46 s LEU 68 Ca 0.67 -0.12 -0.15 0.00 -1.03 0.00 0.00 54.13 53.50 1k46 s LEU 68 Cb -0.34 -1.96 0.20 0.00 0.03 0.00 0.00 46.19 44.11 1k46 s LEU 68 CO 0.28 0.01 1.19 0.42 0.23 0.00 0.00 176.35 178.48 1k46 s THR 69 N 1.39 1.89 0.10 5.49 -4.23 -1.26 0.35 115.64 119.36 1k46 s THR 69 Ca 0.06 0.00 0.31 0.00 -1.18 0.00 0.00 61.69 60.87 1k46 s THR 69 Cb -0.15 -2.77 0.35 0.00 1.34 0.00 0.00 72.50 71.27 1k46 s THR 69 CO 0.04 0.00 1.94 0.06 -0.54 0.00 0.00 174.62 176.12 1k46 h GLN 70 N -1.83 0.00 -0.03 3.99 3.07 0.39 -0.79 115.11 119.90 1k46 h GLN 70 Ca -0.47 0.00 -0.18 0.00 0.09 0.00 0.00 58.65 58.09 1k46 h GLN 70 Cb 1.29 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.86 1k46 h GLN 70 CO 0.46 0.06 -0.70 0.93 0.09 0.00 0.00 178.83 179.67 1k46 h GLU 71 N 0.00 0.54 0.47 0.06 4.39 -1.92 -0.69 114.58 117.43 1k46 h GLU 71 Ca -0.00 -0.53 -0.02 0.00 0.34 0.00 0.00 59.36 59.15 1k46 h GLU 71 Cb 0.58 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 1k46 h GLU 71 CO 0.01 1.16 -0.23 -0.44 -1.16 0.00 0.00 179.01 178.35 1k46 h ASP 72 N 0.11 -0.53 -0.92 1.42 3.32 -1.81 -1.97 116.42 116.04 1k46 h ASP 72 Ca -0.08 -0.04 0.16 0.00 0.02 0.00 0.00 57.03 57.10 1k46 h ASP 72 Cb 1.38 0.14 -0.10 0.00 0.22 0.00 0.00 39.33 40.97 1k46 h ASP 72 CO 0.14 -0.29 0.51 0.74 -1.72 0.00 0.00 179.24 178.62 1k46 h THR 73 N -0.75 0.73 -0.28 0.35 2.02 -1.21 -0.81 112.91 112.95 1k46 h THR 73 Ca -0.06 -0.24 0.02 0.00 0.77 0.00 0.00 66.41 66.90 1k46 h THR 73 Cb 0.54 -0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 1k46 h THR 73 CO 0.11 0.13 0.13 0.00 0.37 0.00 0.00 175.52 176.25 1k46 h ALA 74 N 1.59 0.34 -0.53 6.16 0.00 -0.83 -0.28 119.26 125.71 1k46 h ALA 74 Ca 0.51 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.43 1k46 h ALA 74 Cb 0.73 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1k46 h ALA 74 CO -0.36 -0.26 0.33 0.87 0.00 0.00 0.00 179.25 179.82 1k46 h LYS 75 N 0.28 0.71 -0.97 0.00 1.57 -0.41 -1.68 116.57 116.07 1k46 h LYS 75 Ca 0.12 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1k46 h LYS 75 Cb 0.05 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.16 1k46 h LYS 75 CO -0.09 0.51 0.60 -0.07 -0.57 0.00 0.00 179.45 179.83 1k46 h LEU 76 N 0.71 1.15 -1.27 2.94 3.38 -1.06 -2.00 115.31 119.16 1k46 h LEU 76 Ca 0.19 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.12 1k46 h LEU 76 Cb -0.03 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.39 1k46 h LEU 76 CO -0.04 0.86 0.50 0.25 0.09 0.00 0.00 178.44 180.10 1k46 h LEU 77 N 1.33 0.83 -0.46 1.67 5.85 -0.25 0.14 115.31 124.42 1k46 h LEU 77 Ca 0.35 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 59.01 1k46 h LEU 77 Cb -0.09 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.72 1k46 h LEU 77 CO -0.07 0.59 0.14 -0.61 -0.34 0.00 0.00 178.44 178.15 1k46 h GLN 78 N 0.98 0.73 -0.50 1.25 4.15 -0.59 0.11 115.11 121.24 1k46 h GLN 78 Ca 0.29 -0.16 -0.01 0.00 0.77 0.00 0.00 58.65 59.53 1k46 h GLN 78 Cb -0.04 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.52 1k46 h GLN 78 CO -0.07 0.70 0.27 1.03 -1.93 0.00 0.00 178.83 178.83 1k46 h SER 79 N 0.62 0.63 -0.80 -0.69 0.87 -1.06 0.72 113.55 113.84 1k46 h SER 79 Ca 0.15 -0.10 0.07 0.00 -1.23 0.00 0.00 61.79 60.68 1k46 h SER 79 Cb 0.29 -0.16 -0.06 0.00 -0.44 0.00 0.00 62.40 62.02 1k46 h SER 79 CO -0.00 0.55 0.47 0.74 -0.53 0.00 0.00 176.83 178.06 1k46 h THR 80 N 0.66 0.97 0.12 2.23 2.02 -0.25 0.19 112.91 118.85 1k46 h THR 80 Ca 0.18 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 1k46 h THR 80 Cb 0.07 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.54 1k46 h THR 80 CO -0.03 0.15 -0.06 0.58 0.37 0.00 0.00 175.52 176.54 1k46 h VAL 81 N 0.83 1.08 -0.91 3.16 2.07 -0.07 0.12 116.25 122.53 1k46 h VAL 81 Ca 0.37 -1.04 0.20 0.00 0.82 0.00 0.00 66.70 67.04 1k46 h VAL 81 Cb 0.25 1.71 -0.07 0.00 -1.52 0.00 0.00 31.29 31.66 1k46 h VAL 81 CO -0.20 0.24 0.60 0.50 0.02 0.00 0.00 177.57 178.72 1k46 h LYS 82 N -0.67 0.44 -0.02 1.57 3.64 0.90 0.87 116.57 123.30 1k46 h LYS 82 Ca -0.02 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1k46 h LYS 82 Cb 0.51 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1k46 h LYS 82 CO 0.03 0.29 -0.25 0.72 -2.27 0.00 0.00 179.45 177.97 1k46 n HIS 83 N -4.54 0.00 -3.90 1.91 8.25 0.61 -4.96 115.22 112.59 1k46 n HIS 83 Ca 0.20 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.37 1k46 n HIS 83 Cb 0.68 -0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.80 1k46 n HIS 83 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1k46 n ASN 84 N 0.64 -3.28 -3.64 0.41 4.05 0.30 -4.95 115.26 108.78 1k46 n ASN 84 Ca 0.12 -0.84 -0.06 0.00 0.45 0.00 0.00 54.58 54.25 1k46 n ASN 84 Cb 0.53 -3.71 -0.07 0.00 1.23 0.00 0.00 39.78 37.76 1k46 n ASN 84 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1k46 s LEU 85 N -7.10 -0.88 -0.32 1.20 0.20 -0.20 -5.02 118.68 106.56 1k46 s LEU 85 Ca 0.44 1.40 -0.22 0.00 0.69 0.00 0.00 54.13 56.44 1k46 s LEU 85 Cb -0.23 2.27 -0.00 0.00 -0.43 0.00 0.00 46.19 47.81 1k46 s LEU 85 CO 0.84 -0.22 0.71 0.21 -0.29 0.00 0.00 176.35 177.61 1k46 s ASN 86 N 1.62 6.56 0.00 3.68 2.47 -1.26 -4.43 114.94 123.58 1k46 s ASN 86 Ca -0.10 0.49 0.22 0.00 0.42 0.00 0.00 52.86 53.88 1k46 s ASN 86 Cb -0.05 -2.37 0.26 0.00 -1.45 0.00 0.00 41.25 37.64 1k46 s ASN 86 CO -0.19 -0.58 1.25 -3.20 -3.72 0.00 0.00 177.10 170.66 1k46 n ASN 87 N 6.10 3.02 -4.19 -4.21 5.15 -1.26 -4.74 115.26 115.13 1k46 n ASN 87 Ca 0.01 -1.92 -0.21 0.00 -0.60 0.00 0.00 54.58 51.86 1k46 n ASN 87 Cb 0.48 -0.10 -0.13 0.00 -0.53 0.00 0.00 39.78 39.51 1k46 n ASN 87 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 1k46 s TYR 88 N -1.64 1.41 -0.53 1.20 1.51 -1.26 -1.26 117.35 116.79 1k46 s TYR 88 Ca 0.30 -0.39 -0.07 0.00 -1.01 0.00 0.00 57.07 55.89 1k46 s TYR 88 Cb 0.19 -0.82 0.14 0.00 -0.11 0.00 0.00 41.96 41.36 1k46 s TYR 88 CO 0.28 0.08 0.39 -0.51 -1.11 0.00 0.00 175.55 174.67 1k46 s ASP 89 N -1.40 5.65 -0.16 2.29 1.01 -0.33 -4.90 116.67 118.82 1k46 s ASP 89 Ca 0.03 -2.21 -0.07 0.00 0.71 0.00 0.00 52.55 51.01 1k46 s ASP 89 Cb -0.09 -1.97 -0.04 0.00 1.01 0.00 0.00 42.92 41.83 1k46 s ASP 89 CO 0.02 -0.59 0.08 -0.76 0.21 0.00 0.00 175.17 174.13 1k46 s LEU 90 N 0.91 3.95 -0.22 1.23 1.43 -1.26 -1.03 118.68 123.69 1k46 s LEU 90 Ca 0.10 0.18 -0.06 0.00 -1.03 0.00 0.00 54.13 53.31 1k46 s LEU 90 Cb -0.23 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 43.98 1k46 s LEU 90 CO -0.03 0.24 0.03 -0.60 0.23 0.00 0.00 176.35 176.22 1k46 s ARG 91 N -0.01 3.66 -0.08 1.70 3.52 0.63 -4.88 118.95 123.48 1k46 s ARG 91 Ca 0.07 -0.49 -0.29 0.00 -0.13 0.00 0.00 55.73 54.88 1k46 s ARG 91 Cb -0.12 -3.17 -0.06 0.00 -1.56 0.00 0.00 34.95 30.04 1k46 s ARG 91 CO 0.01 -0.04 1.87 -1.12 -0.81 0.00 0.00 175.30 175.21 1k46 s SER 92 N 1.17 6.30 0.00 -2.12 0.01 -1.26 -1.32 113.70 116.48 1k46 s SER 92 Ca 0.03 2.21 0.00 0.00 1.31 0.00 0.00 55.95 59.51 1k46 s SER 92 Cb -0.14 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.56 1k46 s SER 92 CO 0.02 -1.24 0.06 0.52 0.41 0.00 0.00 173.24 173.02 1k46 n VAL 93 N 6.12 0.00 -3.63 3.43 0.31 -0.33 -4.96 118.33 119.26 1k46 n VAL 93 Ca 0.21 -0.49 -0.10 0.00 -0.01 0.00 0.00 64.34 63.95 1k46 n VAL 93 Cb 0.43 1.00 -0.04 0.00 -0.91 0.00 0.00 33.84 34.32 1k46 n VAL 93 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1k46 s GLY 94 N -0.84 -0.28 0.30 2.92 0.00 0.36 -4.91 107.32 104.88 1k46 s GLY 94 Ca 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 44.72 44.70 1k46 s GLY 94 CO 0.00 -0.27 1.55 0.70 0.00 0.00 0.00 173.10 175.09 1k46 n ASN 95 N -0.25 -0.14 -0.49 1.64 5.03 -1.26 -1.64 115.26 118.15 1k46 n ASN 95 Ca -0.15 1.69 0.04 0.00 0.87 0.00 0.00 54.58 57.03 1k46 n ASN 95 Cb 0.64 -0.60 0.07 0.00 -1.02 0.00 0.00 39.78 38.86 1k46 n ASN 95 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1k46 n GLY 96 N -1.51 2.43 3.29 7.41 0.00 -1.26 -5.07 105.19 110.49 1k46 n GLY 96 Ca 0.23 -0.60 -0.28 0.00 0.00 0.00 0.00 46.02 45.37 1k46 n GLY 96 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k46 s ASN 97 N -1.94 2.82 0.40 1.61 0.01 -0.65 0.11 114.94 117.30 1k46 s ASN 97 Ca 0.18 -0.54 0.04 0.00 -0.71 0.00 0.00 52.86 51.83 1k46 s ASN 97 Cb 0.17 -0.26 -0.03 0.00 0.41 0.00 0.00 41.25 41.55 1k46 s ASN 97 CO -0.02 0.22 0.14 -0.44 -1.51 0.00 0.00 177.10 175.50 1k46 s SER 98 N -1.11 2.68 -0.01 -1.22 0.01 0.15 -0.49 113.70 113.71 1k46 s SER 98 Ca 0.10 -1.67 0.00 0.00 1.31 0.00 0.00 55.95 55.68 1k46 s SER 98 Cb -0.09 0.50 0.01 0.00 0.21 0.00 0.00 66.02 66.65 1k46 s SER 98 CO 0.02 -0.94 0.01 -0.69 0.41 0.00 0.00 173.24 172.05 1k46 s VAL 99 N -3.24 0.02 -0.18 3.43 1.01 -0.43 -0.10 120.40 120.91 1k46 s VAL 99 Ca 0.25 0.08 -0.24 0.00 0.00 0.00 0.00 61.98 62.07 1k46 s VAL 99 Cb 0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 36.38 36.31 1k46 s VAL 99 CO 0.15 0.06 0.80 -0.22 0.00 0.00 0.00 175.10 175.89 1k46 s LEU 100 N 0.53 4.16 -0.02 3.92 2.96 -1.26 -0.27 118.68 128.71 1k46 s LEU 100 Ca -0.05 1.11 0.13 0.00 -0.22 0.00 0.00 54.13 55.11 1k46 s LEU 100 Cb -0.07 -3.17 -0.21 0.00 0.50 0.00 0.00 46.19 43.24 1k46 s LEU 100 CO -0.01 -0.38 0.29 1.33 -1.32 0.00 0.00 176.35 176.25 1k46 n VAL 101 N 4.75 0.02 -3.62 1.68 0.24 -0.20 -4.58 118.33 116.63 1k46 n VAL 101 Ca 0.04 -0.31 -0.02 0.00 -2.04 0.00 0.00 64.34 62.01 1k46 n VAL 101 Cb 0.49 0.18 -0.01 0.00 -1.47 0.00 0.00 33.84 33.03 1k46 n VAL 101 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1k46 s SER 102 N -3.54 -0.14 0.34 -1.34 1.04 -1.24 -5.03 113.70 103.79 1k46 s SER 102 Ca -0.05 -0.12 0.07 0.00 0.48 0.00 0.00 55.95 56.33 1k46 s SER 102 Cb 0.08 0.24 -0.02 0.00 0.10 0.00 0.00 66.02 66.42 1k46 s SER 102 CO 0.55 -0.41 0.37 -0.76 0.98 0.00 0.00 173.24 173.97 1k46 s LEU 103 N -2.66 3.72 0.00 2.42 1.43 -1.26 -1.18 118.68 121.15 1k46 s LEU 103 Ca 0.11 -0.40 0.11 0.00 -1.03 0.00 0.00 54.13 52.92 1k46 s LEU 103 Cb 0.01 -2.42 0.28 0.00 0.03 0.00 0.00 46.19 44.10 1k46 s LEU 103 CO -0.04 -0.42 1.20 0.54 0.23 0.00 0.00 176.35 177.87 1k46 n ARG 104 N -1.50 2.54 -3.83 1.70 1.74 -0.39 -4.84 116.66 112.09 1k46 n ARG 104 Ca -0.00 -1.93 -0.06 0.00 -0.77 0.00 0.00 57.85 55.08 1k46 n ARG 104 Cb 0.59 -1.27 0.01 0.00 -1.02 0.00 0.00 32.46 30.77 1k46 n ARG 104 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1k46 s SER 105 N -0.99 -0.09 -0.33 0.55 1.04 -1.26 -4.93 113.70 107.68 1k46 s SER 105 Ca 0.22 -0.79 0.09 0.00 0.48 0.00 0.00 55.95 55.96 1k46 s SER 105 Cb 0.12 0.68 0.69 0.00 0.10 0.00 0.00 66.02 67.62 1k46 s SER 105 CO 0.16 -1.32 1.77 0.47 0.98 0.00 0.00 173.24 175.29 1k46 n ASP 106 N -0.98 4.33 -4.19 7.02 10.43 0.83 -4.92 116.55 129.07 1k46 n ASP 106 Ca -0.06 -3.34 -0.18 0.00 2.57 0.00 0.00 54.79 53.78 1k46 n ASP 106 Cb 0.60 -0.74 -0.12 0.00 1.84 0.00 0.00 41.12 42.70 1k46 n ASP 106 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 1k46 s GLN 107 N -3.07 0.86 -0.21 -1.24 -0.21 -1.24 -2.28 119.66 112.27 1k46 s GLN 107 Ca 0.54 -1.01 -0.11 0.00 0.02 0.00 0.00 55.36 54.80 1k46 s GLN 107 Cb 0.44 -0.85 0.07 0.00 1.00 0.00 0.00 33.01 33.67 1k46 s GLN 107 CO 0.11 0.18 0.49 1.41 -2.12 0.00 0.00 175.29 175.37 1k46 s MET 108 N -1.91 0.47 0.56 2.91 1.75 -1.26 -4.93 119.30 116.89 1k46 s MET 108 Ca 0.00 0.96 -0.18 0.00 -1.25 0.00 0.00 55.69 55.22 1k46 s MET 108 Cb -0.09 0.11 -0.05 0.00 2.84 0.00 0.00 34.83 37.64 1k46 s MET 108 CO 0.02 -0.17 1.10 0.95 -0.65 0.00 0.00 175.02 176.27 1k46 s THR 109 N 1.70 3.40 0.36 10.11 -4.23 -1.26 -4.89 115.64 120.83 1k46 s THR 109 Ca -0.08 0.79 0.06 0.00 -1.18 0.00 0.00 61.69 61.28 1k46 s THR 109 Cb -0.08 -3.30 0.19 0.00 1.34 0.00 0.00 72.50 70.65 1k46 s THR 109 CO -0.15 -0.27 1.93 -0.07 -0.54 0.00 0.00 174.62 175.53 1k46 h LEU 110 N 0.92 0.45 -0.49 4.79 3.38 -1.99 -1.78 115.31 120.60 1k46 h LEU 110 Ca -0.49 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.39 1k46 h LEU 110 Cb 1.24 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 1k46 h LEU 110 CO 0.57 0.48 0.21 -0.61 0.09 0.00 0.00 178.44 179.18 1k46 h GLN 111 N 0.48 0.72 -0.40 1.13 5.75 -2.00 -1.53 115.11 119.26 1k46 h GLN 111 Ca 0.11 -0.12 -0.13 0.00 -0.15 0.00 0.00 58.65 58.36 1k46 h GLN 111 Cb 0.23 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.64 1k46 h GLN 111 CO -0.00 0.63 -0.28 -0.44 -2.65 0.00 0.00 178.83 176.08 1k46 h ASP 112 N 0.65 0.89 -0.50 -0.69 3.32 -1.83 -2.80 116.42 115.46 1k46 h ASP 112 Ca 0.17 -0.36 -0.02 0.00 0.02 0.00 0.00 57.03 56.84 1k46 h ASP 112 Cb 0.16 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 1k46 h ASP 112 CO -0.02 1.11 0.25 0.00 -1.72 0.00 0.00 179.24 178.86 1k46 h ALA 113 N 0.94 1.42 0.10 3.45 0.00 -1.08 -1.57 119.26 122.52 1k46 h ALA 113 Ca 0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1k46 h ALA 113 Cb 0.84 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1k46 h ALA 113 CO 0.07 0.45 -0.05 -0.22 0.00 0.00 0.00 179.25 179.50 1k46 h LYS 114 N 0.76 -0.13 -0.08 0.00 3.64 -1.05 0.18 116.57 119.89 1k46 h LYS 114 Ca 0.19 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.60 1k46 h LYS 114 Cb 0.10 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 1k46 h LYS 114 CO -0.02 -0.05 -0.09 0.28 -2.27 0.00 0.00 179.45 177.29 1k46 h VAL 115 N -0.18 0.74 -0.29 2.00 2.07 -1.21 -1.52 116.25 117.85 1k46 h VAL 115 Ca -0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1k46 h VAL 115 Cb 0.15 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1k46 h VAL 115 CO 0.02 0.00 0.14 -0.07 0.02 0.00 0.00 177.57 177.68 1k46 h LEU 116 N -0.12 0.39 -1.58 2.57 3.38 -1.15 -2.42 115.31 116.38 1k46 h LEU 116 Ca 0.06 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1k46 h LEU 116 Cb 0.21 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1k46 h LEU 116 CO -0.16 0.41 -0.22 -0.07 0.09 0.00 0.00 178.44 178.49 1k46 h LEU 117 N 0.33 0.00 -0.60 1.67 3.38 -0.51 -1.99 115.31 117.59 1k46 h LEU 117 Ca 0.10 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 1k46 h LEU 117 Cb 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1k46 h LEU 117 CO -0.01 0.22 -0.49 -0.33 0.09 0.00 0.00 178.44 177.92 1k46 h GLU 118 N 0.00 0.00 -0.13 1.13 5.08 -1.03 -1.19 114.58 118.44 1k46 h GLU 118 Ca -0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 1k46 h GLU 118 Cb 0.42 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 1k46 h GLU 118 CO 0.03 0.49 -0.66 0.00 -1.00 0.00 0.00 179.01 177.88 1k46 h ALA 119 N 1.51 0.61 -0.56 3.43 0.00 -0.89 -0.17 119.26 123.19 1k46 h ALA 119 Ca -0.00 -0.56 -0.10 0.00 0.00 0.00 0.00 54.91 54.24 1k46 h ALA 119 Cb 1.12 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1k46 h ALA 119 CO 0.06 0.72 -0.03 0.00 0.00 0.00 0.00 179.25 180.01 1k46 h ALA 120 N 0.91 0.88 -0.16 0.00 0.00 -1.03 -0.90 119.26 118.96 1k46 h ALA 120 Ca -0.02 -0.31 -0.17 0.00 0.00 0.00 0.00 54.91 54.41 1k46 h ALA 120 Cb 1.22 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1k46 h ALA 120 CO 0.12 0.65 -0.61 -0.07 0.00 0.00 0.00 179.25 179.34 1k46 h LEU 121 N 0.91 0.64 0.37 0.00 3.38 -1.10 -1.80 115.31 117.70 1k46 h LEU 121 Ca 0.16 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1k46 h LEU 121 Cb 0.57 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1k46 h LEU 121 CO 0.03 1.10 -0.21 -0.09 0.09 0.00 0.00 178.44 179.36 1k46 h ARG 122 N 0.42 -0.53 -0.78 1.13 2.43 -0.66 -0.58 114.38 115.82 1k46 h ARG 122 Ca -0.01 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1k46 h ARG 122 Cb 1.17 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.80 1k46 h ARG 122 CO 0.11 -0.35 0.52 0.37 -1.51 0.00 0.00 179.97 179.11 1k46 h GLN 123 N -0.55 0.97 0.61 0.20 4.15 -1.18 -2.69 115.11 116.63 1k46 h GLN 123 Ca -0.04 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.29 1k46 h GLN 123 Cb 0.44 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 1k46 h GLN 123 CO 0.06 0.64 -0.39 1.49 -1.93 0.00 0.00 178.83 178.70 1k46 h GLU 124 N 1.00 -0.91 0.00 1.69 4.81 -0.83 -3.52 114.58 116.83 1k46 h GLU 124 Ca 0.30 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.59 1k46 h GLU 124 Cb -0.03 0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1k46 h GLU 124 CO -0.08 -0.61 0.00 -1.13 -0.73 0.00 0.00 179.01 176.46