#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m0v n ASN 2 N 0.00 -0.94 0.00 7.83 0.23 -1.26 -4.76 115.26 116.36 1m0v n ASN 2 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1m0v n ASN 2 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1m0v n ASN 2 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1m0v n LEU 3 N 0.00 0.00 -3.59 -4.53 -0.00 -1.26 -4.91 117.00 102.71 1m0v n LEU 3 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.89 1m0v n LEU 3 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.36 1m0v n LEU 3 CO 0.00 0.00 0.68 -0.55 -0.00 0.00 0.00 177.39 177.52 1m0v s SER 4 N -1.00 -0.47 0.06 1.45 0.15 -1.26 -5.04 113.70 107.59 1m0v s SER 4 Ca 0.00 0.67 -0.16 0.00 0.70 0.00 0.00 55.95 57.15 1m0v s SER 4 Cb 0.00 0.59 -0.05 0.00 -1.71 0.00 0.00 66.02 64.85 1m0v s SER 4 CO 0.00 -0.33 1.27 -0.07 1.20 0.00 0.00 173.24 175.32 1m0v h LEU 5 N 3.28 -0.93 -0.66 3.45 3.38 -1.97 0.75 115.31 122.62 1m0v h LEU 5 Ca -0.23 0.12 0.06 0.00 0.09 0.00 0.00 57.88 57.92 1m0v h LEU 5 Cb 1.16 0.38 -0.09 0.00 0.09 0.00 0.00 40.66 42.20 1m0v h LEU 5 CO 0.25 -0.20 -0.46 0.77 0.09 0.00 0.00 178.44 178.88 1m0v h SER 6 N -0.20 -1.66 -0.30 -0.43 4.64 -1.94 0.65 113.55 114.31 1m0v h SER 6 Ca 0.04 0.24 0.01 0.00 -0.47 0.00 0.00 61.79 61.60 1m0v h SER 6 Cb 0.30 0.72 -0.02 0.00 -0.31 0.00 0.00 62.40 63.09 1m0v h SER 6 CO -0.29 -0.22 0.19 -2.24 -0.87 0.00 0.00 176.83 173.40 1m0v h ASP 7 N -0.09 0.33 0.21 4.97 2.03 -1.91 0.53 116.42 122.48 1m0v h ASP 7 Ca 0.11 -0.01 -0.01 0.00 -0.73 0.00 0.00 57.03 56.40 1m0v h ASP 7 Cb 0.37 -0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 38.78 1m0v h ASP 7 CO -0.67 0.24 -0.22 0.25 -1.03 0.00 0.00 179.24 177.82 1m0v h LEU 8 N 0.40 -0.59 -1.57 0.15 5.85 0.20 0.27 115.31 120.01 1m0v h LEU 8 Ca 0.11 0.05 0.21 0.00 0.84 0.00 0.00 57.88 59.10 1m0v h LEU 8 Cb -0.03 0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.13 1m0v h LEU 8 CO -0.03 -0.28 0.60 -0.74 -0.34 0.00 0.00 178.44 177.65 1m0v h HIS 9 N -0.42 0.47 0.86 1.25 2.76 0.24 0.25 115.15 120.55 1m0v h HIS 9 Ca -0.03 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.12 1m0v h HIS 9 Cb 0.37 -0.14 0.01 0.00 1.55 0.00 0.00 27.41 29.20 1m0v h HIS 9 CO -0.15 0.12 -0.41 0.00 -1.30 0.00 0.00 177.93 176.18 1m0v h ARG 10 N 0.35 -1.12 0.26 5.26 2.47 -0.03 0.63 114.38 122.20 1m0v h ARG 10 Ca 0.47 0.08 -0.01 0.00 -1.26 0.00 0.00 59.98 59.25 1m0v h ARG 10 Cb 1.26 0.25 0.00 0.00 -1.65 0.00 0.00 29.97 29.84 1m0v h ARG 10 CO -0.16 -0.74 -0.12 -0.56 0.56 0.00 0.00 179.97 178.94 1m0v h GLN 11 N -1.17 -0.33 -0.52 0.04 3.07 0.50 0.75 115.11 117.45 1m0v h GLN 11 Ca -0.12 0.02 0.10 0.00 0.09 0.00 0.00 58.65 58.75 1m0v h GLN 11 Cb 0.89 0.08 -0.09 0.00 0.08 0.00 0.00 27.48 28.44 1m0v h GLN 11 CO 0.19 -0.07 0.00 -0.24 0.09 0.00 0.00 178.83 178.81 1m0v h VAL 12 N -0.56 0.59 -0.07 1.86 3.04 -0.62 0.72 116.25 121.20 1m0v h VAL 12 Ca -0.04 -0.04 -0.09 0.00 -1.01 0.00 0.00 66.70 65.53 1m0v h VAL 12 Cb 0.41 0.46 -0.01 0.00 -2.01 0.00 0.00 31.29 30.14 1m0v h VAL 12 CO 0.06 0.02 -0.35 0.77 -1.01 0.00 0.00 177.57 177.06 1m0v h SER 13 N 0.12 0.15 0.83 3.17 4.64 -0.83 -1.53 113.55 120.10 1m0v h SER 13 Ca 0.26 -0.05 -0.09 0.00 -0.47 0.00 0.00 61.79 61.44 1m0v h SER 13 Cb 0.40 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 1m0v h SER 13 CO -0.43 0.49 -0.44 -0.09 -0.87 0.00 0.00 176.83 175.48 1m0v h ARG 14 N 0.13 0.00 0.07 4.77 9.65 0.14 -1.24 114.38 127.90 1m0v h ARG 14 Ca 0.02 0.00 -0.36 0.00 -1.10 0.00 0.00 59.98 58.53 1m0v h ARG 14 Cb 0.68 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.22 1m0v h ARG 14 CO 0.05 0.44 -2.11 1.47 2.80 0.00 0.00 179.97 182.62 1m0v n LEU 15 N -3.58 2.32 -0.01 3.80 -0.00 -0.29 -3.60 117.00 115.64 1m0v n LEU 15 Ca -0.00 0.13 -0.13 0.00 -0.00 0.00 0.00 56.01 56.01 1m0v n LEU 15 Cb 0.55 -0.79 -0.10 0.00 -0.00 0.00 0.00 43.42 43.09 1m0v n LEU 15 CO 0.38 0.79 0.66 0.58 -0.00 0.00 0.00 177.39 179.80 1m0v h VAL 16 N 0.04 1.34 0.00 1.47 2.07 -1.35 1.77 116.25 121.59 1m0v h VAL 16 Ca -0.45 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.05 1m0v h VAL 16 Cb 2.01 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 33.81 1m0v h VAL 16 CO 0.04 0.26 0.00 0.00 0.02 0.00 0.00 177.57 177.89 1m0v n GLN 17 N -4.89 0.22 -1.69 1.57 1.13 -0.47 -3.04 117.38 110.22 1m0v n GLN 17 Ca -0.08 0.14 0.01 0.00 -1.94 0.00 0.00 57.00 55.13 1m0v n GLN 17 Cb 0.23 -1.50 0.01 0.00 0.11 0.00 0.00 30.24 29.09 1m0v n GLN 17 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1m0v n GLN 18 N -1.28 0.36 0.00 -1.09 6.02 -1.07 -5.02 117.38 115.30 1m0v n GLN 18 Ca 0.07 -2.00 0.00 0.00 -0.01 0.00 0.00 57.00 55.06 1m0v n GLN 18 Cb 0.12 -0.14 0.00 0.00 1.02 0.00 0.00 30.24 31.24 1m0v n GLN 18 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1m0v n GLU 19 N 0.10 0.00 -2.05 -1.09 4.07 0.50 -4.86 120.64 117.31 1m0v n GLU 19 Ca -0.02 0.00 -0.40 0.00 -0.06 0.00 0.00 57.16 56.68 1m0v n GLU 19 Cb 0.99 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 32.35 1m0v n GLU 19 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1m0v n SER 20 N 0.00 3.94 -4.03 4.31 7.64 0.42 -4.88 113.62 121.03 1m0v n SER 20 Ca 0.00 -2.82 -0.32 0.00 1.01 0.00 0.00 58.87 56.74 1m0v n SER 20 Cb 0.00 -1.63 -0.10 0.00 -1.01 0.00 0.00 64.21 61.47 1m0v n SER 20 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1m0v n GLY 21 N 5.00 0.54 2.09 0.23 0.00 -1.24 -3.15 105.19 108.67 1m0v n GLY 21 Ca 0.49 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1m0v n GLY 21 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1m0v n ASP 22 N 13.26 -3.17 -3.16 1.61 2.03 -1.26 -5.03 116.55 120.83 1m0v n ASP 22 Ca 0.45 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.76 1m0v n ASP 22 Cb 0.44 -0.71 0.00 0.00 -0.72 0.00 0.00 41.12 40.13 1m0v n ASP 22 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1m0v s THR 24 N -0.75 4.88 0.07 0.00 2.01 -0.60 -1.65 115.64 119.60 1m0v s THR 24 Ca 0.00 -0.17 0.02 0.00 0.31 0.00 0.00 61.69 61.86 1m0v s THR 24 Cb 0.00 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.32 1m0v s THR 24 CO 0.00 0.50 0.09 -0.83 -0.69 0.00 0.00 174.62 173.69 1m0v s GLY 25 N -1.30 2.04 -0.10 4.40 0.00 -1.24 0.14 107.32 111.26 1m0v s GLY 25 Ca 0.18 -0.98 0.01 0.00 0.00 0.00 0.00 44.72 43.94 1m0v s GLY 25 CO 0.08 -0.94 -0.14 -1.59 0.00 0.00 0.00 173.10 170.51 1m0v s LYS 26 N -2.32 3.08 0.11 2.90 0.00 -0.41 -4.01 119.74 119.09 1m0v s LYS 26 Ca 0.29 -0.69 0.07 0.00 0.00 0.00 0.00 55.97 55.64 1m0v s LYS 26 Cb -0.12 -2.54 -0.04 0.00 0.00 0.00 0.00 37.83 35.13 1m0v s LYS 26 CO 0.22 0.35 -0.11 -1.17 0.00 0.00 0.00 175.35 174.64 1m0v s LEU 27 N -0.02 3.02 0.00 2.77 0.20 -1.23 -0.76 118.68 122.66 1m0v s LEU 27 Ca -0.04 -0.40 0.00 0.00 0.69 0.00 0.00 54.13 54.38 1m0v s LEU 27 Cb -0.14 -1.81 0.00 0.00 -0.43 0.00 0.00 46.19 43.81 1m0v s LEU 27 CO 0.04 0.18 0.00 0.54 -0.29 0.00 0.00 176.35 176.82 1m0v n ARG 28 N 0.71 0.00 -0.49 1.98 1.74 -1.26 -4.64 116.66 114.70 1m0v n ARG 28 Ca -0.14 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.94 1m0v n ARG 28 Cb 0.52 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.96 1m0v n ARG 28 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1m0v n GLY 29 N 0.00 1.80 3.66 -0.13 0.00 -1.26 -4.90 105.19 104.36 1m0v n GLY 29 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1m0v n GLY 29 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1m0v s ASN 30 N -3.36 -0.26 -0.01 1.61 2.47 -1.26 -4.82 114.94 109.31 1m0v s ASN 30 Ca 0.00 -0.26 0.00 0.00 0.42 0.00 0.00 52.86 53.02 1m0v s ASN 30 Cb 0.00 0.47 -0.04 0.00 -1.45 0.00 0.00 41.25 40.23 1m0v s ASN 30 CO 0.00 -0.83 0.05 0.54 -3.72 0.00 0.00 177.10 173.14 1m0v s VAL 31 N -3.27 4.51 0.17 -5.21 0.11 -1.26 -4.14 120.40 111.30 1m0v s VAL 31 Ca 0.09 -0.46 0.06 0.00 -2.93 0.00 0.00 61.98 58.74 1m0v s VAL 31 Cb -0.01 -3.03 -0.04 0.00 -1.53 0.00 0.00 36.38 31.76 1m0v s VAL 31 CO -0.02 0.38 -0.12 0.00 -3.33 0.00 0.00 175.10 172.01 1m0v s ALA 32 N -1.13 1.66 -0.25 1.54 0.00 0.06 -4.91 121.76 118.71 1m0v s ALA 32 Ca 0.21 -1.54 -0.08 0.00 0.00 0.00 0.00 51.96 50.54 1m0v s ALA 32 Cb -0.12 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 1m0v s ALA 32 CO 0.12 -0.03 0.10 0.00 0.00 0.00 0.00 175.76 175.95 1m0v s ALA 33 N -3.15 3.29 -0.38 0.00 0.00 -1.26 -1.29 121.76 118.97 1m0v s ALA 33 Ca 0.18 -1.09 -0.11 0.00 0.00 0.00 0.00 51.96 50.95 1m0v s ALA 33 Cb 0.01 -2.18 0.03 0.00 0.00 0.00 0.00 23.12 20.97 1m0v s ALA 33 CO 0.03 -0.45 0.21 1.21 0.00 0.00 0.00 175.76 176.75 1m0v s ASN 34 N 1.56 5.74 -0.10 0.00 2.47 0.37 -4.89 114.94 120.09 1m0v s ASN 34 Ca 0.06 -1.00 0.07 0.00 0.42 0.00 0.00 52.86 52.41 1m0v s ASN 34 Cb -0.15 -2.02 -0.11 0.00 -1.45 0.00 0.00 41.25 37.52 1m0v s ASN 34 CO 0.06 -0.39 0.00 0.29 -3.72 0.00 0.00 177.10 173.34 1m0v n LYS 35 N 5.00 1.98 -0.01 0.43 5.02 -1.26 -1.56 118.16 127.76 1m0v n LYS 35 Ca -0.12 0.01 -0.12 0.00 -2.02 0.00 0.00 58.31 56.07 1m0v n LYS 35 Cb 0.46 -1.24 -0.07 0.00 -0.02 0.00 0.00 35.03 34.16 1m0v n LYS 35 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1m0v h GLU 36 N 0.00 0.10 -6.75 1.97 4.81 -1.99 -3.44 114.58 109.28 1m0v h GLU 36 Ca -0.26 -0.02 -0.44 0.00 -0.13 0.00 0.00 59.36 58.51 1m0v h GLU 36 Cb 1.54 -0.02 0.04 0.00 0.63 0.00 0.00 28.75 30.94 1m0v h GLU 36 CO 0.00 0.25 -0.08 0.95 -0.73 0.00 0.00 179.01 179.40 1m0v s THR 37 N -5.46 2.63 -0.17 0.32 -4.23 -1.26 -5.11 115.64 102.35 1m0v s THR 37 Ca -0.14 -0.77 -0.05 0.00 -1.18 0.00 0.00 61.69 59.55 1m0v s THR 37 Cb 0.05 -2.86 0.07 0.00 1.34 0.00 0.00 72.50 71.10 1m0v s THR 37 CO 0.68 0.00 0.12 0.42 -0.54 0.00 0.00 174.62 175.30 1m0v s THR 38 N -2.70 -0.14 0.84 3.99 -4.23 -1.26 -4.76 115.64 107.38 1m0v s THR 38 Ca 0.58 -0.13 -0.14 0.00 -1.18 0.00 0.00 61.69 60.82 1m0v s THR 38 Cb -0.09 -0.58 0.22 0.00 1.34 0.00 0.00 72.50 73.38 1m0v s THR 38 CO 0.38 -0.25 0.55 2.22 -0.54 0.00 0.00 174.62 176.98 1m0v n PHE 39 N 5.29 -3.20 0.00 3.99 -1.74 -1.26 -5.00 117.46 115.54 1m0v n PHE 39 Ca -0.07 -0.51 0.00 0.00 -0.56 0.00 0.00 57.45 56.31 1m0v n PHE 39 Cb 0.49 -0.73 0.00 0.00 1.52 0.00 0.00 39.48 40.77 1m0v n PHE 39 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1m0v n GLN 40 N -4.07 0.00 -3.02 3.97 0.00 -1.26 -5.01 117.38 107.99 1m0v n GLN 40 Ca 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 57.00 57.05 1m0v n GLN 40 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.60 1m0v n GLN 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1m0v n GLY 41 N 0.00 -1.71 0.00 2.61 0.00 -1.26 -4.68 105.19 100.14 1m0v n GLY 41 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.37 1m0v n GLY 41 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1m0v n LEU 42 N 0.86 0.00 0.00 0.99 -0.00 -1.26 -4.72 117.00 112.88 1m0v n LEU 42 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1m0v n LEU 42 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.74 1m0v n LEU 42 CO 0.24 0.00 0.28 0.35 -0.00 0.00 0.00 177.39 178.26 1m0v n THR 43 N 0.00 0.22 -0.91 1.96 -2.24 -1.26 0.10 114.28 112.15 1m0v n THR 43 Ca 0.00 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1m0v n THR 43 Cb 0.00 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.23 1m0v n THR 43 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1m0v n ILE 44 N -0.11 0.00 0.01 2.28 2.08 -1.26 -4.82 119.36 117.54 1m0v n ILE 44 Ca 0.00 0.00 0.03 0.00 0.56 0.00 0.00 62.75 63.34 1m0v n ILE 44 Cb 0.40 -0.15 -0.10 0.00 -0.75 0.00 0.00 39.64 39.04 1m0v n ILE 44 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1m0v n ALA 45 N 1.00 2.15 -0.03 -1.39 0.00 -1.26 -4.52 120.51 116.46 1m0v n ALA 45 Ca 0.00 -0.62 -0.02 0.00 0.00 0.00 0.00 53.44 52.80 1m0v n ALA 45 Cb 0.03 -0.81 -0.01 0.00 0.00 0.00 0.00 19.45 18.66 1m0v n ALA 45 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1m0v n SER 46 N -2.70 0.62 -1.35 0.00 2.88 -1.26 -4.95 113.62 106.86 1m0v n SER 46 Ca -0.11 0.29 -0.05 0.00 -1.33 0.00 0.00 58.87 57.67 1m0v n SER 46 Cb 0.79 -0.61 -0.01 0.00 -0.75 0.00 0.00 64.21 63.62 1m0v n SER 46 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1m0v n GLY 47 N 1.63 0.69 3.99 0.46 0.00 -1.26 -5.15 105.19 105.54 1m0v n GLY 47 Ca -0.03 -0.04 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 1m0v n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m0v s ALA 48 N 0.03 4.24 0.08 4.61 0.00 -1.26 -4.88 121.76 124.58 1m0v s ALA 48 Ca 0.02 -1.46 0.05 0.00 0.00 0.00 0.00 51.96 50.58 1m0v s ALA 48 Cb 0.10 -1.70 -0.04 0.00 0.00 0.00 0.00 23.12 21.48 1m0v s ALA 48 CO -0.03 -0.08 -0.03 1.03 0.00 0.00 0.00 175.76 176.65 1m0v s ARG 49 N -4.22 2.47 0.57 0.00 0.52 -1.26 -4.57 118.95 112.46 1m0v s ARG 49 Ca 0.46 -0.86 0.26 0.00 -0.52 0.00 0.00 55.73 55.07 1m0v s ARG 49 Cb -0.10 -2.49 1.61 0.00 0.52 0.00 0.00 34.95 34.49 1m0v s ARG 49 CO 0.32 0.54 2.17 0.93 0.02 0.00 0.00 175.30 179.28 1m0v h GLU 50 N 3.58 0.00 0.11 3.54 3.07 -1.96 -2.34 114.58 120.57 1m0v h GLU 50 Ca -0.48 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.37 1m0v h GLU 50 Cb 1.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 1m0v h GLU 50 CO 0.58 0.00 -0.05 0.66 -1.40 0.00 0.00 179.01 178.79 1m0v h SER 51 N 0.00 -0.13 -0.21 1.42 4.64 -1.93 -1.62 113.55 115.72 1m0v h SER 51 Ca 0.04 -0.39 0.05 0.00 -0.47 0.00 0.00 61.79 61.02 1m0v h SER 51 Cb 0.22 0.03 -0.06 0.00 -0.31 0.00 0.00 62.40 62.28 1m0v h SER 51 CO -0.00 0.36 -0.18 -0.33 -0.87 0.00 0.00 176.83 175.82 1m0v h GLU 52 N -0.67 -0.18 0.34 4.77 3.07 -1.57 0.39 114.58 120.73 1m0v h GLU 52 Ca -0.02 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 1m0v h GLU 52 Cb 0.51 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.45 1m0v h GLU 52 CO 0.03 -0.12 -0.26 1.57 -1.40 0.00 0.00 179.01 178.83 1m0v h LYS 53 N -0.19 -0.58 -0.48 2.33 2.10 -1.53 -0.29 116.57 117.93 1m0v h LYS 53 Ca 0.13 0.04 0.06 0.00 -2.00 0.00 0.00 60.65 58.87 1m0v h LYS 53 Cb 0.37 0.13 -0.05 0.00 -0.90 0.00 0.00 32.23 31.78 1m0v h LYS 53 CO -0.32 -0.39 0.19 -0.39 -2.00 0.00 0.00 179.45 176.54 1m0v h VAL 54 N -0.60 0.87 -0.69 0.07 -1.51 -1.00 -0.75 116.25 112.63 1m0v h VAL 54 Ca -0.03 -0.13 0.14 0.00 -1.23 0.00 0.00 66.70 65.45 1m0v h VAL 54 Cb 0.52 0.46 -0.10 0.00 -2.13 0.00 0.00 31.29 30.04 1m0v h VAL 54 CO -0.00 0.07 0.19 0.15 -1.23 0.00 0.00 177.57 176.75 1m0v h PHE 55 N 0.37 0.32 -0.79 5.19 3.04 0.07 0.31 116.94 125.45 1m0v h PHE 55 Ca 0.23 0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.22 1m0v h PHE 55 Cb 0.21 -0.03 -0.04 0.00 2.56 0.00 0.00 35.95 38.65 1m0v h PHE 55 CO -0.15 -0.02 0.51 0.00 -2.02 0.00 0.00 178.31 176.63 1m0v h ALA 56 N 1.55 1.00 -0.42 2.41 0.00 0.25 0.35 119.26 124.40 1m0v h ALA 56 Ca 0.38 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.13 1m0v h ALA 56 Cb 0.60 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1m0v h ALA 56 CO -0.44 0.44 -0.11 1.96 0.00 0.00 0.00 179.25 181.09 1m0v h GLN 57 N 1.08 0.75 0.02 0.00 1.08 0.50 0.33 115.11 118.87 1m0v h GLN 57 Ca 0.29 -0.25 -0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1m0v h GLN 57 Cb -0.09 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.28 1m0v h GLN 57 CO -0.06 0.83 -0.01 1.79 -0.95 0.00 0.00 178.83 180.43 1m0v h THR 58 N 0.68 1.44 -0.29 -0.54 1.35 0.01 -0.50 112.91 115.05 1m0v h THR 58 Ca 0.12 -1.57 -0.01 0.00 -0.55 0.00 0.00 66.41 64.40 1m0v h THR 58 Cb 0.58 2.48 -0.01 0.00 -1.73 0.00 0.00 68.15 69.47 1m0v h THR 58 CO 0.04 0.39 0.16 -0.37 -0.25 0.00 0.00 175.52 175.49 1m0v h VAL 59 N -0.72 1.12 -0.18 6.82 -1.51 -0.31 -0.74 116.25 120.74 1m0v h VAL 59 Ca -0.00 -0.32 -0.03 0.00 -1.23 0.00 0.00 66.70 65.12 1m0v h VAL 59 Cb 0.67 0.81 -0.01 0.00 -2.13 0.00 0.00 31.29 30.63 1m0v h VAL 59 CO 0.01 0.12 -0.01 0.25 -1.23 0.00 0.00 177.57 176.71 1m0v h LEU 60 N 0.36 0.31 0.59 4.19 5.85 -0.43 -2.69 115.31 123.49 1m0v h LEU 60 Ca 0.10 -0.32 -0.03 0.00 0.84 0.00 0.00 57.88 58.48 1m0v h LEU 60 Cb 0.05 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.01 1m0v h LEU 60 CO -0.02 0.55 -0.28 0.28 -0.34 0.00 0.00 178.44 178.63 1m0v h SER 61 N 0.06 -0.67 -1.25 1.25 0.02 -1.00 0.97 113.55 112.92 1m0v h SER 61 Ca 0.05 0.02 0.36 0.00 -0.84 0.00 0.00 61.79 61.38 1m0v h SER 61 Cb 0.40 0.17 -0.05 0.00 0.14 0.00 0.00 62.40 63.06 1m0v h SER 61 CO 0.01 -0.47 0.90 0.45 -1.14 0.00 0.00 176.83 176.58 1m0v h HIS 62 N -0.83 0.04 0.00 3.45 3.86 -1.24 -2.34 115.15 118.09 1m0v h HIS 62 Ca -0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.13 1m0v h HIS 62 Cb 0.61 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.07 1m0v h HIS 62 CO 0.08 -0.00 -0.00 0.28 0.86 0.00 0.00 177.93 179.15 1m0v h VAL 63 N 0.02 0.00 -3.82 2.45 2.07 -1.16 -3.46 116.25 112.35 1m0v h VAL 63 Ca 0.60 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 68.09 1m0v h VAL 63 Cb 2.37 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 32.14 1m0v h VAL 63 CO -0.02 0.00 -0.00 0.00 0.02 0.00 0.00 177.57 177.56 1m0v n ALA 64 N -2.03 -0.61 0.00 1.67 0.00 0.33 -2.99 120.51 116.88 1m0v n ALA 64 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1m0v n ALA 64 Cb 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.03 1m0v n ALA 64 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1m0v n ASN 65 N -0.54 0.00 -0.12 0.00 4.13 -1.25 -4.97 115.26 112.52 1m0v n ASN 65 Ca -0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1m0v n ASN 65 Cb 0.31 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.55 1m0v n ASN 65 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1m0v n VAL 66 N 0.00 0.00 -2.97 2.41 0.24 -1.16 -1.51 118.33 115.34 1m0v n VAL 66 Ca 0.00 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.16 1m0v n VAL 66 Cb 0.00 0.00 0.03 0.00 -1.47 0.00 0.00 33.84 32.40 1m0v n VAL 66 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 1m0v n VAL 67 N -0.24 -0.10 -1.51 3.34 0.24 -1.19 -4.52 118.33 114.35 1m0v n VAL 67 Ca 0.00 -3.09 -0.41 0.00 -2.04 0.00 0.00 64.34 58.80 1m0v n VAL 67 Cb 0.00 0.54 -0.09 0.00 -1.47 0.00 0.00 33.84 32.82 1m0v n VAL 67 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1m0v n LEU 68 N 0.38 1.32 0.00 1.34 4.32 0.55 -3.74 117.00 121.17 1m0v n LEU 68 Ca 0.16 -0.06 0.00 0.00 -0.02 0.00 0.00 56.01 56.09 1m0v n LEU 68 Cb 0.67 -1.22 0.00 0.00 -1.62 0.00 0.00 43.42 41.25 1m0v n LEU 68 CO 0.13 -1.07 0.00 0.35 -1.22 0.00 0.00 177.39 175.58 1m0v n THR 69 N 7.64 0.00 -0.07 -5.08 -2.24 -1.26 -0.70 114.28 112.57 1m0v n THR 69 Ca 0.51 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.40 1m0v n THR 69 Cb 0.26 -0.10 0.49 0.00 -2.10 0.00 0.00 70.33 68.87 1m0v n THR 69 CO 0.00 0.00 0.00 0.06 -0.57 0.00 0.00 175.07 174.56 1m0v h GLN 70 N 0.00 0.43 0.22 -0.78 -0.00 -1.76 -0.94 115.11 112.28 1m0v h GLN 70 Ca 0.00 -0.03 -0.01 0.00 -0.00 0.00 0.00 58.65 58.61 1m0v h GLN 70 Cb 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 27.48 27.39 1m0v h GLN 70 CO 0.00 0.28 -0.10 1.49 -0.00 0.00 0.00 178.83 180.50 1m0v h GLU 71 N 0.44 -0.28 -0.56 0.06 4.22 -1.90 -1.73 114.58 114.83 1m0v h GLU 71 Ca 0.26 0.02 0.16 0.00 0.08 0.00 0.00 59.36 59.88 1m0v h GLU 71 Cb 0.44 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1m0v h GLU 71 CO -0.07 -0.19 0.57 -0.44 -2.18 0.00 0.00 179.01 176.70 1m0v h ASP 72 N -0.53 0.00 0.17 1.04 5.19 -1.82 0.78 116.42 121.25 1m0v h ASP 72 Ca -0.03 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.37 1m0v h ASP 72 Cb 0.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.73 1m0v h ASP 72 CO 0.05 0.00 -0.08 0.71 -3.12 0.00 0.00 179.24 176.80 1m0v h THR 73 N 0.00 0.81 -0.52 0.35 1.35 -1.18 -0.92 112.91 112.81 1m0v h THR 73 Ca 0.27 -1.10 0.15 0.00 -0.55 0.00 0.00 66.41 65.18 1m0v h THR 73 Cb 1.41 1.36 -0.02 0.00 -1.73 0.00 0.00 68.15 69.16 1m0v h THR 73 CO -0.00 0.21 0.39 0.00 -0.25 0.00 0.00 175.52 175.87 1m0v h ALA 74 N -0.33 2.45 0.82 6.62 0.00 0.14 -0.51 119.26 128.45 1m0v h ALA 74 Ca -0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1m0v h ALA 74 Cb 0.52 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1m0v h ALA 74 CO 0.04 -0.66 -0.46 -0.22 0.00 0.00 0.00 179.25 177.95 1m0v h LYS 75 N 0.00 -1.14 0.09 0.00 1.63 0.76 0.76 116.57 118.68 1m0v h LYS 75 Ca 0.25 0.08 0.02 0.00 -0.85 0.00 0.00 60.65 60.15 1m0v h LYS 75 Cb 1.03 0.26 -0.05 0.00 -0.60 0.00 0.00 32.23 32.87 1m0v h LYS 75 CO -0.00 -0.76 -0.39 -0.07 -3.45 0.00 0.00 179.45 174.78 1m0v h LEU 76 N -1.18 -1.15 -1.89 5.20 3.38 0.30 0.41 115.31 120.37 1m0v h LEU 76 Ca -0.11 0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1m0v h LEU 76 Cb 0.93 0.44 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 1m0v h LEU 76 CO 0.14 -0.46 0.10 0.17 0.09 0.00 0.00 178.44 178.48 1m0v h LEU 77 N -0.61 0.13 0.41 1.67 8.10 -1.33 -1.17 115.31 122.51 1m0v h LEU 77 Ca 0.03 -0.00 -0.02 0.00 0.11 0.00 0.00 57.88 58.00 1m0v h LEU 77 Cb 0.65 -0.03 0.00 0.00 -0.44 0.00 0.00 40.66 40.84 1m0v h LEU 77 CO -0.24 0.09 -0.20 1.56 -4.11 0.00 0.00 178.44 175.54 1m0v h GLN 78 N 0.15 -0.54 -0.98 0.17 1.08 0.19 0.87 115.11 116.06 1m0v h GLN 78 Ca 0.06 0.04 0.24 0.00 -1.45 0.00 0.00 58.65 57.53 1m0v h GLN 78 Cb 0.04 0.12 -0.08 0.00 -0.05 0.00 0.00 27.48 27.51 1m0v h GLN 78 CO -0.01 -0.28 0.64 1.03 -0.95 0.00 0.00 178.83 179.26 1m0v h SER 79 N -1.09 0.44 0.00 1.46 0.87 -0.03 -0.84 113.55 114.37 1m0v h SER 79 Ca -0.06 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1m0v h SER 79 Cb 0.50 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.44 1m0v h SER 79 CO 0.09 0.13 -0.28 0.74 -0.53 0.00 0.00 176.83 176.98 1m0v h THR 80 N 0.41 0.10 -1.38 2.23 2.02 -1.21 -3.36 112.91 111.72 1m0v h THR 80 Ca 0.54 -1.09 0.40 0.00 0.77 0.00 0.00 66.41 67.03 1m0v h THR 80 Cb 1.34 0.20 -0.06 0.00 -1.74 0.00 0.00 68.15 67.89 1m0v h THR 80 CO -0.24 0.03 0.98 1.62 0.37 0.00 0.00 175.52 178.28 1m0v h VAL 81 N -1.00 0.30 -0.47 3.16 3.04 0.98 0.73 116.25 122.98 1m0v h VAL 81 Ca -0.01 -0.01 0.09 0.00 -1.01 0.00 0.00 66.70 65.76 1m0v h VAL 81 Cb 0.32 0.26 -0.09 0.00 -2.01 0.00 0.00 31.29 29.77 1m0v h VAL 81 CO -0.01 0.01 -0.12 0.50 -1.01 0.00 0.00 177.57 176.93 1m0v h LYS 82 N 0.04 -0.01 0.00 4.17 1.63 -1.30 -3.43 116.57 117.67 1m0v h LYS 82 Ca 0.68 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.48 1m0v h LYS 82 Cb 2.60 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 34.23 1m0v h LYS 82 CO -0.06 -0.01 0.00 -2.39 -3.45 0.00 0.00 179.45 173.55 1m0v n HIS 83 N -5.35 0.00 -3.50 1.91 1.44 0.20 -5.14 115.22 104.78 1m0v n HIS 83 Ca 0.04 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.61 1m0v n HIS 83 Cb 0.26 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.33 1m0v n HIS 83 CO 0.00 0.00 0.00 1.21 -2.81 0.00 0.00 176.34 174.74 1m0v s ASN 84 N 0.00 -0.54 -1.35 4.39 2.47 -0.91 -5.00 114.94 114.00 1m0v s ASN 84 Ca 0.00 0.19 -0.08 0.00 0.42 0.00 0.00 52.86 53.39 1m0v s ASN 84 Cb 0.00 0.55 -0.03 0.00 -1.45 0.00 0.00 41.25 40.32 1m0v s ASN 84 CO 0.00 -0.82 2.83 -0.11 -3.72 0.00 0.00 177.10 175.29 1m0v n LEU 85 N 0.13 8.18 0.00 3.21 0.00 -1.26 -4.84 117.00 122.41 1m0v n LEU 85 Ca -0.18 -4.42 0.00 0.00 0.00 0.00 0.00 56.01 51.41 1m0v n LEU 85 Cb 0.62 -1.47 0.00 0.00 0.00 0.00 0.00 43.42 42.57 1m0v n LEU 85 CO 0.17 2.03 0.00 0.59 0.00 0.00 0.00 177.39 180.18 1m0v n ASN 86 N 2.80 0.00 0.00 1.96 4.13 -1.26 -4.79 115.26 118.10 1m0v n ASN 86 Ca 0.70 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.96 1m0v n ASN 86 Cb 0.30 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.54 1m0v n ASN 86 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1m0v n ASN 87 N 3.90 0.00 -4.83 6.41 2.85 -1.26 -4.90 115.26 117.42 1m0v n ASN 87 Ca 0.00 0.00 -0.35 0.00 -0.11 0.00 0.00 54.58 54.12 1m0v n ASN 87 Cb 0.00 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 40.96 1m0v n ASN 87 CO 0.00 0.00 0.00 -0.72 -2.11 0.00 0.00 177.26 174.43 1m0v s TYR 88 N 0.00 3.56 0.12 1.20 1.13 -1.26 -1.16 117.35 120.93 1m0v s TYR 88 Ca 0.00 1.23 0.06 0.00 -1.41 0.00 0.00 57.07 56.95 1m0v s TYR 88 Cb 0.00 -2.51 -0.04 0.00 -1.10 0.00 0.00 41.96 38.31 1m0v s TYR 88 CO 0.00 0.30 -0.15 0.34 -2.51 0.00 0.00 175.55 173.53 1m0v s ASP 89 N -1.86 2.04 -0.09 -0.18 2.15 0.71 -4.87 116.67 114.57 1m0v s ASP 89 Ca 0.45 -0.79 -0.27 0.00 0.43 0.00 0.00 52.55 52.37 1m0v s ASP 89 Cb -0.14 -0.08 0.06 0.00 -0.30 0.00 0.00 42.92 42.46 1m0v s ASP 89 CO 0.20 -0.12 0.61 -0.76 -0.17 0.00 0.00 175.17 174.93 1m0v s LEU 90 N -2.38 -0.38 0.34 -1.34 1.02 -1.12 -1.36 118.68 113.46 1m0v s LEU 90 Ca 0.08 0.75 0.08 0.00 0.02 0.00 0.00 54.13 55.06 1m0v s LEU 90 Cb -0.06 2.27 -0.03 0.00 0.02 0.00 0.00 46.19 48.39 1m0v s LEU 90 CO 0.03 -0.50 0.25 -0.60 0.02 0.00 0.00 176.35 175.56 1m0v s ARG 91 N -0.87 2.62 0.13 1.70 3.52 0.14 -4.90 118.95 121.29 1m0v s ARG 91 Ca -0.09 -1.37 -0.01 0.00 -0.13 0.00 0.00 55.73 54.13 1m0v s ARG 91 Cb -0.02 -2.39 -0.04 0.00 -1.56 0.00 0.00 34.95 30.94 1m0v s ARG 91 CO 0.07 0.09 0.05 -1.54 -0.81 0.00 0.00 175.30 173.16 1m0v s SER 92 N -3.96 0.41 -0.03 -2.12 1.04 -1.26 0.10 113.70 107.89 1m0v s SER 92 Ca 0.40 -1.20 0.06 0.00 0.48 0.00 0.00 55.95 55.69 1m0v s SER 92 Cb -0.05 0.27 0.11 0.00 0.10 0.00 0.00 66.02 66.45 1m0v s SER 92 CO 0.25 -0.71 1.05 0.52 0.98 0.00 0.00 173.24 175.33 1m0v n VAL 93 N -0.11 0.39 -4.98 5.02 0.31 0.43 -4.71 118.33 114.67 1m0v n VAL 93 Ca -0.06 -0.58 0.00 0.00 -0.01 0.00 0.00 64.34 63.69 1m0v n VAL 93 Cb 0.64 0.40 0.00 0.00 -0.91 0.00 0.00 33.84 33.97 1m0v n VAL 93 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1m0v n GLY 94 N -0.23 0.43 0.38 2.92 0.00 0.38 -1.82 105.19 107.26 1m0v n GLY 94 Ca 0.04 -0.88 0.30 0.00 0.00 0.00 0.00 46.02 45.48 1m0v n GLY 94 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1m0v h ASN 95 N 0.00 0.39 -0.20 1.61 4.21 -1.93 1.22 115.58 120.87 1m0v h ASN 95 Ca 0.00 0.18 -0.01 0.00 1.21 0.00 0.00 56.30 57.68 1m0v h ASN 95 Cb 0.00 0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 37.34 1m0v h ASN 95 CO 0.00 -0.19 0.10 1.23 -1.29 0.00 0.00 177.43 177.28 1m0v h GLY 96 N 0.19 0.31 -2.44 2.83 0.00 -1.94 -3.10 103.07 98.92 1m0v h GLY 96 Ca 0.77 -0.15 0.16 0.00 0.00 0.00 0.00 47.33 48.11 1m0v h GLY 96 CO -0.55 0.15 0.46 0.54 0.00 0.00 0.00 176.54 177.13 1m0v s ASN 97 N -5.54 -0.22 -0.07 0.19 4.22 0.42 -4.60 114.94 109.34 1m0v s ASN 97 Ca -0.13 -0.37 -0.14 0.00 -2.14 0.00 0.00 52.86 50.08 1m0v s ASN 97 Cb 0.08 0.50 0.03 0.00 1.28 0.00 0.00 41.25 43.14 1m0v s ASN 97 CO 0.70 -0.91 0.34 -0.44 -2.04 0.00 0.00 177.10 174.75 1m0v s SER 98 N -2.88 -0.29 0.12 3.54 0.01 0.12 0.16 113.70 114.48 1m0v s SER 98 Ca 0.11 0.41 0.03 0.00 1.31 0.00 0.00 55.95 57.81 1m0v s SER 98 Cb -0.02 0.52 -0.04 0.00 0.21 0.00 0.00 66.02 66.70 1m0v s SER 98 CO 0.01 -0.29 0.16 -0.69 0.41 0.00 0.00 173.24 172.84 1m0v s VAL 99 N -0.57 4.83 -0.15 3.43 1.01 0.28 0.20 120.40 129.43 1m0v s VAL 99 Ca -0.07 -0.79 -0.04 0.00 0.00 0.00 0.00 61.98 61.08 1m0v s VAL 99 Cb -0.04 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 1m0v s VAL 99 CO 0.02 0.00 -0.04 -0.22 0.00 0.00 0.00 175.10 174.87 1m0v s LEU 100 N -2.83 3.27 -0.26 3.92 1.98 -0.57 -0.69 118.68 123.50 1m0v s LEU 100 Ca 0.32 -0.12 -0.03 0.00 -2.89 0.00 0.00 54.13 51.42 1m0v s LEU 100 Cb -0.11 -1.78 0.11 0.00 0.66 0.00 0.00 46.19 45.06 1m0v s LEU 100 CO 0.25 0.18 0.21 0.54 -1.89 0.00 0.00 176.35 175.64 1m0v s VAL 101 N 0.29 -0.26 0.15 1.68 0.11 -0.46 -3.83 120.40 118.08 1m0v s VAL 101 Ca -0.03 -0.46 -0.08 0.00 -2.93 0.00 0.00 61.98 58.47 1m0v s VAL 101 Cb -0.14 -0.88 -0.01 0.00 -1.53 0.00 0.00 36.38 33.81 1m0v s VAL 101 CO 0.03 -0.48 0.24 -0.55 -3.33 0.00 0.00 175.10 171.01 1m0v s SER 102 N 2.26 0.09 0.00 3.54 0.15 -1.21 -0.21 113.70 118.32 1m0v s SER 102 Ca 0.08 -0.89 0.00 0.00 0.70 0.00 0.00 55.95 55.85 1m0v s SER 102 Cb -0.15 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 1m0v s SER 102 CO -0.28 -0.85 0.00 0.18 1.20 0.00 0.00 173.24 173.50 1m0v n LEU 103 N -0.17 0.00 -1.31 3.45 7.99 -0.31 -4.83 117.00 121.81 1m0v n LEU 103 Ca -0.08 0.00 -0.17 0.00 -0.01 0.00 0.00 56.01 55.75 1m0v n LEU 103 Cb 0.63 0.00 -0.07 0.00 -0.11 0.00 0.00 43.42 43.87 1m0v n LEU 103 CO 0.25 0.00 -0.16 0.54 -1.51 0.00 0.00 177.39 176.51 1m0v n ARG 104 N 0.00 -1.56 0.00 3.23 3.00 -1.20 -4.38 116.66 115.75 1m0v n ARG 104 Ca 0.00 1.10 0.00 0.00 -0.01 0.00 0.00 57.85 58.94 1m0v n ARG 104 Cb 0.00 -5.51 0.00 0.00 0.00 0.00 0.00 32.46 26.95 1m0v n ARG 104 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1m0v n SER 105 N -1.31 0.00 -4.15 0.55 3.41 -1.26 -4.82 113.62 106.03 1m0v n SER 105 Ca -0.17 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.06 1m0v n SER 105 Cb 0.65 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.50 1m0v n SER 105 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1m0v s ASP 106 N 0.00 5.43 0.03 4.04 1.01 0.29 -4.74 116.67 122.72 1m0v s ASP 106 Ca 0.00 -1.99 -0.28 0.00 0.71 0.00 0.00 52.55 50.99 1m0v s ASP 106 Cb 0.00 -1.90 0.10 0.00 1.01 0.00 0.00 42.92 42.13 1m0v s ASP 106 CO 0.00 -0.60 1.01 -1.10 0.21 0.00 0.00 175.17 174.69 1m0v s GLN 107 N 1.22 0.83 -0.15 8.23 -0.21 -1.26 -3.73 119.66 124.59 1m0v s GLN 107 Ca 0.07 -0.39 -0.28 0.00 0.02 0.00 0.00 55.36 54.78 1m0v s GLN 107 Cb -0.24 0.32 0.07 0.00 1.00 0.00 0.00 33.01 34.17 1m0v s GLN 107 CO -0.03 -0.37 0.73 1.41 -2.12 0.00 0.00 175.29 174.91 1m0v s MET 108 N -2.99 0.92 0.19 2.91 1.75 -0.32 -4.33 119.30 117.43 1m0v s MET 108 Ca 0.09 0.57 0.06 0.00 -1.25 0.00 0.00 55.69 55.17 1m0v s MET 108 Cb -0.00 0.44 -0.04 0.00 2.84 0.00 0.00 34.83 38.07 1m0v s MET 108 CO -0.04 -0.22 0.10 -0.08 -0.65 0.00 0.00 175.02 174.13 1m0v s THR 109 N -0.48 4.20 0.18 10.11 -1.32 -1.26 -3.62 115.64 123.45 1m0v s THR 109 Ca -0.05 -1.29 -0.20 0.00 -1.21 0.00 0.00 61.69 58.94 1m0v s THR 109 Cb -0.02 -3.16 0.12 0.00 -1.51 0.00 0.00 72.50 67.93 1m0v s THR 109 CO 0.05 -0.17 1.60 -0.07 -2.21 0.00 0.00 174.62 173.82 1m0v h LEU 110 N 2.30 -1.04 0.34 9.08 3.38 -1.50 0.34 115.31 128.20 1m0v h LEU 110 Ca -0.47 0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 1m0v h LEU 110 Cb 1.21 0.52 -0.02 0.00 0.09 0.00 0.00 40.66 42.46 1m0v h LEU 110 CO 0.61 -0.29 -0.42 -0.61 0.09 0.00 0.00 178.44 177.82 1m0v h GLN 111 N -0.16 -0.75 -0.77 1.13 5.75 -1.82 -1.36 115.11 117.14 1m0v h GLN 111 Ca 0.23 0.05 0.18 0.00 -0.15 0.00 0.00 58.65 58.96 1m0v h GLN 111 Cb 0.53 0.17 -0.13 0.00 1.07 0.00 0.00 27.48 29.12 1m0v h GLN 111 CO -0.63 -0.50 0.05 -0.44 -2.65 0.00 0.00 178.83 174.66 1m0v h ASP 112 N -0.77 -0.27 0.08 -0.69 5.19 -1.74 0.52 116.42 118.74 1m0v h ASP 112 Ca -0.04 0.19 0.02 0.00 -0.62 0.00 0.00 57.03 56.58 1m0v h ASP 112 Cb 0.69 0.32 -0.05 0.00 0.18 0.00 0.00 39.33 40.48 1m0v h ASP 112 CO -0.10 -0.16 -0.37 0.00 -3.12 0.00 0.00 179.24 175.49 1m0v h ALA 113 N 1.71 -0.63 0.00 3.45 0.00 0.13 -1.16 119.26 122.76 1m0v h ALA 113 Ca 0.43 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.23 1m0v h ALA 113 Cb 0.78 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1m0v h ALA 113 CO -0.65 -0.92 -0.27 1.57 0.00 0.00 0.00 179.25 178.98 1m0v h LYS 114 N -0.58 0.00 0.35 0.00 2.10 -0.06 -1.02 116.57 117.35 1m0v h LYS 114 Ca 0.04 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.67 1m0v h LYS 114 Cb 0.63 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.95 1m0v h LYS 114 CO -0.24 0.27 -0.24 0.28 -2.00 0.00 0.00 179.45 177.52 1m0v h VAL 115 N 0.00 0.00 -0.74 0.07 2.07 0.11 0.99 116.25 118.75 1m0v h VAL 115 Ca -0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 1m0v h VAL 115 Cb 0.51 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 1m0v h VAL 115 CO 0.03 0.00 0.27 -0.07 0.02 0.00 0.00 177.57 177.83 1m0v h LEU 116 N -0.56 1.04 -0.57 2.57 4.07 -1.27 -1.67 115.31 118.93 1m0v h LEU 116 Ca -0.05 -0.19 0.00 0.00 0.08 0.00 0.00 57.88 57.73 1m0v h LEU 116 Cb 0.45 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 41.92 1m0v h LEU 116 CO 0.03 0.94 0.00 -0.07 -1.08 0.00 0.00 178.44 178.26 1m0v h LEU 117 N 1.07 0.00 -0.03 1.67 4.07 -1.12 1.34 115.31 122.31 1m0v h LEU 117 Ca 0.24 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 58.15 1m0v h LEU 117 Cb 0.24 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.99 1m0v h LEU 117 CO -0.02 0.00 -0.17 -0.08 -1.08 0.00 0.00 178.44 177.09 1m0v h GLU 118 N 0.00 0.17 0.00 1.13 4.81 0.19 0.28 114.58 121.16 1m0v h GLU 118 Ca 0.00 -0.14 -0.11 0.00 -0.13 0.00 0.00 59.36 58.98 1m0v h GLU 118 Cb 0.54 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 1m0v h GLU 118 CO 0.00 0.81 -0.53 0.00 -0.73 0.00 0.00 179.01 178.55 1m0v h ALA 119 N 0.37 1.03 0.31 2.92 0.00 -0.89 -0.26 119.26 122.73 1m0v h ALA 119 Ca -0.01 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1m0v h ALA 119 Cb 0.84 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1m0v h ALA 119 CO 0.04 0.66 -0.15 0.00 0.00 0.00 0.00 179.25 179.80 1m0v h ALA 120 N 1.47 -0.70 -0.95 0.00 0.00 0.19 -0.23 119.26 119.04 1m0v h ALA 120 Ca -0.01 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.88 1m0v h ALA 120 Cb 1.00 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 1m0v h ALA 120 CO 0.07 -0.67 0.62 1.37 0.00 0.00 0.00 179.25 180.64 1m0v h LEU 121 N -0.63 0.98 -0.62 0.00 8.10 -0.52 0.98 115.31 123.60 1m0v h LEU 121 Ca -0.04 0.01 0.08 0.00 0.11 0.00 0.00 57.88 58.04 1m0v h LEU 121 Cb 0.32 -0.20 -0.07 0.00 -0.44 0.00 0.00 40.66 40.27 1m0v h LEU 121 CO 0.07 0.63 0.27 -0.09 -4.11 0.00 0.00 178.44 175.21 1m0v h ARG 122 N 1.11 0.47 0.03 0.17 2.43 -1.05 4.83 114.38 122.37 1m0v h ARG 122 Ca 0.41 -0.03 -0.28 0.00 -0.81 0.00 0.00 59.98 59.27 1m0v h ARG 122 Cb 0.16 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 1m0v h ARG 122 CO -0.15 0.31 -1.49 0.37 -1.51 0.00 0.00 179.97 177.50 1m0v h GLN 123 N 0.49 0.06 0.00 0.20 4.15 0.11 -3.41 115.11 116.72 1m0v h GLN 123 Ca 0.31 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.62 1m0v h GLN 123 Cb 0.33 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.06 1m0v h GLN 123 CO -0.27 0.79 -0.27 0.39 -1.93 0.00 0.00 178.83 177.54 1m0v n GLU 124 N -3.23 0.17 -0.03 1.69 -0.58 0.33 -4.94 120.64 114.04 1m0v n GLU 124 Ca -0.13 0.19 -0.03 0.00 -0.42 0.00 0.00 57.16 56.77 1m0v n GLU 124 Cb 1.02 -0.93 -0.01 0.00 -0.57 0.00 0.00 31.44 30.95 1m0v n GLU 124 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1m0v n SER 125 N -3.14 0.76 -3.40 1.62 2.88 0.11 -4.32 113.62 108.13 1m0v n SER 125 Ca -0.04 0.26 -0.20 0.00 -1.33 0.00 0.00 58.87 57.56 1m0v n SER 125 Cb 0.14 -0.62 0.08 0.00 -0.75 0.00 0.00 64.21 63.06 1m0v n SER 125 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1m0v n GLY 126 N 1.58 -0.41 2.03 0.46 0.00 1.54 0.29 105.19 110.68 1m0v n GLY 126 Ca -0.04 0.15 -0.08 0.00 0.00 0.00 0.00 46.02 46.04 1m0v n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m0v n ALA 127 N -4.45 -0.47 -0.00 4.61 0.00 -1.26 -4.66 120.51 114.29 1m0v n ALA 127 Ca -0.14 0.10 -0.03 0.00 0.00 0.00 0.00 53.44 53.38 1m0v n ALA 127 Cb 0.61 -1.07 -0.01 0.00 0.00 0.00 0.00 19.45 18.98 1m0v n ALA 127 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1m0v n ARG 128 N -2.10 0.07 -0.20 0.00 0.63 0.15 -4.74 116.66 110.47 1m0v n ARG 128 Ca -0.09 0.03 0.11 0.00 -0.92 0.00 0.00 57.85 56.98 1m0v n ARG 128 Cb 0.42 -0.62 0.41 0.00 0.45 0.00 0.00 32.46 33.12 1m0v n ARG 128 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1m0v h GLY 129 N -0.12 0.96 1.00 5.14 0.00 -0.99 -3.50 103.07 105.56 1m0v h GLY 129 Ca -0.06 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1m0v h GLY 129 CO -0.04 0.12 0.00 1.44 0.00 0.00 0.00 176.54 178.07