#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nnd s GLU 2 N 0.00 1.58 0.09 5.31 2.02 -1.26 -4.52 118.70 121.92 2nnd s GLU 2 Ca 0.00 -1.65 -0.15 0.00 0.02 0.00 0.00 54.97 53.19 2nnd s GLU 2 Cb 0.00 -1.74 0.03 0.00 0.10 0.00 0.00 34.13 32.52 2nnd s GLU 2 CO 0.00 0.34 0.35 0.00 0.02 0.00 0.00 175.26 175.98 2nnd s ALA 3 N -2.20 -0.78 0.05 5.21 0.00 -0.35 -4.99 121.76 118.69 2nnd s ALA 3 Ca 0.25 -0.08 0.07 0.00 0.00 0.00 0.00 51.96 52.20 2nnd s ALA 3 Cb -0.06 0.54 -0.03 0.00 0.00 0.00 0.00 23.12 23.57 2nnd s ALA 3 CO 0.12 -0.55 -0.15 0.45 0.00 0.00 0.00 175.76 175.63 2nnd s SER 4 N -2.56 4.04 0.59 0.00 0.15 -1.26 -1.10 113.70 113.56 2nnd s SER 4 Ca 0.01 -0.38 0.30 0.00 0.70 0.00 0.00 55.95 56.58 2nnd s SER 4 Cb 0.02 -0.72 1.84 0.00 -1.71 0.00 0.00 66.02 65.44 2nnd s SER 4 CO -0.09 0.24 2.25 0.77 1.20 0.00 0.00 173.24 177.62 2nnd h SER 5 N 4.32 0.00 0.30 5.45 4.64 -1.20 -1.11 113.55 125.95 2nnd h SER 5 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2nnd h SER 5 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2nnd h SER 5 CO 0.49 0.01 -0.27 0.35 -0.87 0.00 0.00 176.83 176.54 2nnd n THR 6 N -3.80 0.00 -2.17 2.95 -2.24 -1.26 -3.41 114.28 104.35 2nnd n THR 6 Ca -0.03 -0.10 -0.31 0.00 -2.27 0.00 0.00 64.05 61.34 2nnd n THR 6 Cb 0.09 0.30 -0.01 0.00 -2.10 0.00 0.00 70.33 68.61 2nnd n THR 6 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2nnd s GLY 7 N -2.58 1.81 0.27 3.38 0.00 -0.42 -4.91 107.32 104.87 2nnd s GLY 7 Ca 0.23 -0.03 -0.01 0.00 0.00 0.00 0.00 44.72 44.91 2nnd s GLY 7 CO 0.54 0.23 1.76 3.21 0.00 0.00 0.00 173.10 178.84 2nnd h ARG 8 N 0.25 0.71 -0.56 2.90 -0.00 -1.91 -2.96 114.38 112.80 2nnd h ARG 8 Ca -0.45 -0.20 0.00 0.00 -0.50 0.00 0.00 59.98 58.83 2nnd h ARG 8 Cb 1.19 -0.08 0.00 0.00 0.00 0.00 0.00 29.97 31.08 2nnd h ARG 8 CO 0.62 0.76 0.00 0.27 0.00 0.00 0.00 179.97 181.61 2nnd n ASN 9 N -4.21 3.13 -4.74 7.04 6.94 -1.26 -4.96 115.26 117.21 2nnd n ASN 9 Ca 0.02 -2.12 -0.42 0.00 -0.02 0.00 0.00 54.58 52.04 2nnd n ASN 9 Cb 0.31 -0.41 -0.02 0.00 -2.36 0.00 0.00 39.78 37.31 2nnd n ASN 9 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 2nnd s PHE 10 N -1.46 2.88 -0.54 -2.53 5.36 -1.12 -4.98 117.98 115.59 2nnd s PHE 10 Ca 0.36 0.72 0.02 0.00 -0.96 0.00 0.00 56.93 57.07 2nnd s PHE 10 Cb 0.21 -4.01 0.14 0.00 -0.34 0.00 0.00 43.02 39.01 2nnd s PHE 10 CO 0.22 -3.53 0.30 1.21 -1.46 0.00 0.00 175.22 171.96 2nnd s ASN 11 N 0.70 4.66 0.47 6.13 3.84 -1.26 -4.97 114.94 124.51 2nnd s ASN 11 Ca 0.66 -2.88 0.19 0.00 0.21 0.00 0.00 52.86 51.04 2nnd s ASN 11 Cb -0.46 -1.71 1.18 0.00 -0.55 0.00 0.00 41.25 39.71 2nnd s ASN 11 CO 0.41 -0.29 1.98 1.62 -2.79 0.00 0.00 177.10 178.03 2nnd h VAL 12 N 5.53 0.81 -0.24 -5.21 3.04 -1.98 -0.78 116.25 117.42 2nnd h VAL 12 Ca -0.06 -0.08 0.04 0.00 -1.01 0.00 0.00 66.70 65.59 2nnd h VAL 12 Cb 0.92 0.55 -0.01 0.00 -2.01 0.00 0.00 31.29 30.74 2nnd h VAL 12 CO 0.68 0.04 0.17 -0.33 -1.01 0.00 0.00 177.57 177.12 2nnd h GLU 13 N 0.24 0.14 0.00 4.17 5.08 -1.98 -1.86 114.58 120.37 2nnd h GLU 13 Ca 0.28 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2nnd h GLU 13 Cb 0.78 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.00 2nnd h GLU 13 CO -0.06 0.09 0.00 1.63 -1.00 0.00 0.00 179.01 179.68 2nnd n LYS 14 N -4.49 0.06 -0.03 2.33 5.02 -0.30 -1.85 118.16 118.90 2nnd n LYS 14 Ca 0.02 0.24 0.13 0.00 -2.02 0.00 0.00 58.31 56.67 2nnd n LYS 14 Cb 0.21 -1.60 0.40 0.00 -0.02 0.00 0.00 35.03 34.03 2nnd n LYS 14 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 2nnd n ILE 15 N -1.71 0.08 -1.79 -0.18 -5.35 -0.70 -4.82 119.36 104.89 2nnd n ILE 15 Ca 0.04 -0.34 -0.38 0.00 -0.27 0.00 0.00 62.75 61.80 2nnd n ILE 15 Cb 0.23 0.66 0.04 0.00 -1.74 0.00 0.00 39.64 38.84 2nnd n ILE 15 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 2nnd s ASN 16 N -1.87 5.21 0.00 7.28 2.47 -0.77 -4.68 114.94 122.57 2nnd s ASN 16 Ca 0.35 2.74 0.00 0.00 0.42 0.00 0.00 52.86 56.37 2nnd s ASN 16 Cb 0.20 -2.63 0.00 0.00 -1.45 0.00 0.00 41.25 37.37 2nnd s ASN 16 CO 0.31 -1.61 0.00 0.61 -3.72 0.00 0.00 177.10 172.69 2nnd n GLY 17 N 0.73 -0.12 3.72 1.21 0.00 0.56 -4.93 105.19 106.36 2nnd n GLY 17 Ca 0.11 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 2nnd n GLY 17 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2nnd s GLU 18 N 0.00 4.29 0.04 1.61 2.12 -1.26 -1.05 118.70 124.44 2nnd s GLU 18 Ca 0.00 2.17 -0.06 0.00 0.36 0.00 0.00 54.97 57.44 2nnd s GLU 18 Cb 0.00 -3.21 -0.01 0.00 0.26 0.00 0.00 34.13 31.17 2nnd s GLU 18 CO 0.00 -0.48 0.11 -1.58 -0.54 0.00 0.00 175.26 172.78 2nnd s TRP 19 N 1.00 0.18 0.02 5.30 0.52 -0.96 -4.57 118.94 120.43 2nnd s TRP 19 Ca 0.65 -0.48 0.04 0.00 0.02 0.00 0.00 56.10 56.34 2nnd s TRP 19 Cb -0.39 -0.13 -0.02 0.00 -1.15 0.00 0.00 33.47 31.79 2nnd s TRP 19 CO 0.32 -0.38 -0.12 -1.01 0.02 0.00 0.00 176.95 175.78 2nnd s HIS 20 N -2.65 1.02 -0.06 -1.98 3.76 0.31 -3.20 115.29 112.49 2nnd s HIS 20 Ca -0.05 -0.28 -0.30 0.00 -0.15 0.00 0.00 55.06 54.29 2nnd s HIS 20 Cb -0.01 -0.63 -0.04 0.00 1.11 0.00 0.00 32.58 33.01 2nnd s HIS 20 CO -0.05 -0.00 1.35 0.99 -0.85 0.00 0.00 174.74 176.18 2nnd s THR 21 N -0.61 3.96 -0.19 1.30 2.01 -1.25 -0.92 115.64 119.94 2nnd s THR 21 Ca 0.02 1.27 -0.10 0.00 0.31 0.00 0.00 61.69 63.19 2nnd s THR 21 Cb -0.06 -3.82 -0.08 0.00 0.01 0.00 0.00 72.50 68.55 2nnd s THR 21 CO 0.00 -0.04 -0.24 -0.38 -0.69 0.00 0.00 174.62 173.27 2nnd n ILE 22 N 4.90 1.05 -4.02 1.82 2.08 0.03 -4.58 119.36 120.65 2nnd n ILE 22 Ca 0.13 -0.25 -0.13 0.00 0.56 0.00 0.00 62.75 63.06 2nnd n ILE 22 Cb 0.44 -1.77 -0.13 0.00 -0.75 0.00 0.00 39.64 37.43 2nnd n ILE 22 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 2nnd s ILE 23 N -2.36 0.25 0.14 1.39 1.01 -0.84 -0.11 121.20 120.68 2nnd s ILE 23 Ca -0.26 -0.36 0.10 0.00 0.00 0.00 0.00 60.65 60.12 2nnd s ILE 23 Cb 0.10 -0.26 -0.04 0.00 0.01 0.00 0.00 42.46 42.27 2nnd s ILE 23 CO 0.33 -0.08 -0.22 -0.76 0.00 0.00 0.00 174.94 174.21 2nnd s LEU 24 N -0.46 2.36 0.01 2.97 1.43 -0.66 -0.61 118.68 123.72 2nnd s LEU 24 Ca -0.03 -0.77 -0.04 0.00 -1.03 0.00 0.00 54.13 52.26 2nnd s LEU 24 Cb -0.03 -1.00 -0.01 0.00 0.03 0.00 0.00 46.19 45.18 2nnd s LEU 24 CO -0.00 0.08 0.07 0.00 0.23 0.00 0.00 176.35 176.72 2nnd s ALA 25 N -1.44 -0.14 -0.10 4.21 0.00 0.47 -0.20 121.76 124.56 2nnd s ALA 25 Ca 0.13 -0.27 -0.20 0.00 0.00 0.00 0.00 51.96 51.62 2nnd s ALA 25 Cb -0.09 0.10 0.05 0.00 0.00 0.00 0.00 23.12 23.18 2nnd s ALA 25 CO 0.06 -0.17 0.48 0.45 0.00 0.00 0.00 175.76 176.58 2nnd s SER 26 N -1.26 -0.45 0.00 0.00 0.15 -0.88 -0.41 113.70 110.85 2nnd s SER 26 Ca -0.14 0.65 0.30 0.00 0.70 0.00 0.00 55.95 57.47 2nnd s SER 26 Cb -0.08 0.69 1.58 0.00 -1.71 0.00 0.00 66.02 66.50 2nnd s SER 26 CO 0.00 -0.36 2.08 -0.90 1.20 0.00 0.00 173.24 175.26 2nnd n ASP 27 N 1.89 0.00 -3.95 5.45 5.68 -1.01 -3.97 116.55 120.65 2nnd n ASP 27 Ca -0.17 -0.27 -0.30 0.00 -0.50 0.00 0.00 54.79 53.54 2nnd n ASP 27 Cb 0.56 -0.24 -0.14 0.00 -1.14 0.00 0.00 41.12 40.16 2nnd n ASP 27 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 2nnd s LYS 28 N -2.48 1.83 0.47 0.11 1.02 -1.26 -4.99 119.74 114.44 2nnd s LYS 28 Ca 0.31 -2.43 0.13 0.00 0.02 0.00 0.00 55.97 54.01 2nnd s LYS 28 Cb 0.20 -3.22 1.11 0.00 -0.52 0.00 0.00 37.83 35.40 2nnd s LYS 28 CO 0.45 -1.08 2.09 -0.09 -0.92 0.00 0.00 175.35 175.80 2nnd h ARG 29 N 6.74 0.24 -0.30 1.68 2.43 -1.93 -2.05 114.38 121.19 2nnd h ARG 29 Ca -0.07 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.17 2nnd h ARG 29 Cb 0.92 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.40 2nnd h ARG 29 CO 0.64 0.16 0.25 1.05 -1.51 0.00 0.00 179.97 180.56 2nnd h GLU 30 N 0.25 0.00 0.00 0.20 4.11 -1.95 -2.02 114.58 115.17 2nnd h GLU 30 Ca 0.10 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.52 2nnd h GLU 30 Cb 0.11 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 2nnd h GLU 30 CO -0.02 0.00 -0.06 0.87 0.07 0.00 0.00 179.01 179.87 2nnd h LYS 31 N 0.00 0.00 -0.01 1.06 1.79 -1.76 -2.96 116.57 114.69 2nnd h LYS 31 Ca 0.14 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 2nnd h LYS 31 Cb 0.65 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 2nnd h LYS 31 CO -0.00 0.06 0.00 0.44 -1.08 0.00 0.00 179.45 178.87 2nnd n ILE 32 N -3.23 0.36 -1.47 1.86 -5.35 -0.79 -1.08 119.36 109.67 2nnd n ILE 32 Ca -0.00 -0.68 -0.30 0.00 -0.27 0.00 0.00 62.75 61.50 2nnd n ILE 32 Cb 0.28 0.83 0.22 0.00 -1.74 0.00 0.00 39.64 39.23 2nnd n ILE 32 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 2nnd s GLU 33 N -0.41 -0.43 0.35 6.28 2.02 -1.04 -4.62 118.70 120.84 2nnd s GLU 33 Ca 0.01 -0.24 0.15 0.00 0.02 0.00 0.00 54.97 54.91 2nnd s GLU 33 Cb 0.01 -1.71 1.07 0.00 0.10 0.00 0.00 34.13 33.60 2nnd s GLU 33 CO 0.01 -3.15 1.68 -0.44 0.02 0.00 0.00 175.26 173.38 2nnd h ASP 34 N -2.18 0.53 -0.47 -0.19 5.19 -1.94 0.27 116.42 117.63 2nnd h ASP 34 Ca -0.44 0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.13 2nnd h ASP 34 Cb 1.26 0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.88 2nnd h ASP 34 CO 0.35 -0.07 0.00 0.59 -3.12 0.00 0.00 179.24 176.99 2nnd n ASN 35 N -4.96 4.33 -4.77 6.45 5.03 -1.26 -5.01 115.26 115.07 2nnd n ASN 35 Ca 0.31 -2.61 -0.38 0.00 0.87 0.00 0.00 54.58 52.77 2nnd n ASN 35 Cb 0.95 -0.52 -0.06 0.00 -1.02 0.00 0.00 39.78 39.13 2nnd n ASN 35 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2nnd s GLY 36 N -1.21 2.90 0.37 7.41 0.00 0.93 -4.95 107.32 112.77 2nnd s GLY 36 Ca 0.44 0.53 0.27 0.00 0.00 0.00 0.00 44.72 45.96 2nnd s GLY 36 CO 0.17 1.01 1.82 3.43 0.00 0.00 0.00 173.10 179.53 2nnd h ASN 37 N 3.54 0.00 -0.51 1.64 -0.26 -1.82 -2.77 115.58 115.40 2nnd h ASN 37 Ca -0.46 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.28 2nnd h ASN 37 Cb 1.19 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.45 2nnd h ASN 37 CO 0.66 0.00 0.00 0.49 -1.06 0.00 0.00 177.43 177.52 2nnd n PHE 38 N -2.51 0.67 -2.51 1.19 3.01 -0.24 -4.71 117.46 112.36 2nnd n PHE 38 Ca 0.01 -0.46 -0.43 0.00 1.01 0.00 0.00 57.45 57.58 2nnd n PHE 38 Cb 0.21 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.67 2nnd n PHE 38 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 2nnd n ARG 39 N 1.09 3.20 -4.89 -1.08 0.63 -1.05 -4.81 116.66 109.75 2nnd n ARG 39 Ca 0.18 -3.30 -0.31 0.00 -0.92 0.00 0.00 57.85 53.49 2nnd n ARG 39 Cb 0.52 -3.35 -0.14 0.00 0.45 0.00 0.00 32.46 29.94 2nnd n ARG 39 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2nnd s LEU 40 N 3.22 2.49 -0.43 6.15 1.43 -1.26 -4.79 118.68 125.49 2nnd s LEU 40 Ca 0.50 -0.38 -0.08 0.00 -1.03 0.00 0.00 54.13 53.14 2nnd s LEU 40 Cb 0.04 -1.47 0.09 0.00 0.03 0.00 0.00 46.19 44.88 2nnd s LEU 40 CO 0.04 0.30 0.27 -0.36 0.23 0.00 0.00 176.35 176.83 2nnd s PHE 41 N -0.79 3.39 0.55 0.29 0.40 0.21 -4.81 117.98 117.22 2nnd s PHE 41 Ca 0.12 -1.75 -0.21 0.00 -0.60 0.00 0.00 56.93 54.50 2nnd s PHE 41 Cb -0.10 -3.13 -0.05 0.00 0.51 0.00 0.00 43.02 40.24 2nnd s PHE 41 CO 0.02 -0.91 1.24 -1.17 0.70 0.00 0.00 175.22 175.11 2nnd s LEU 42 N 1.37 3.81 0.00 -0.37 2.96 -1.26 -0.59 118.68 124.60 2nnd s LEU 42 Ca 0.04 2.49 0.00 0.00 -0.22 0.00 0.00 54.13 56.44 2nnd s LEU 42 Cb -0.24 -4.41 0.00 0.00 0.50 0.00 0.00 46.19 42.04 2nnd s LEU 42 CO 0.00 -1.43 0.00 -0.62 -1.32 0.00 0.00 176.35 172.98 2nnd n GLU 43 N -1.15 0.57 -3.47 1.98 1.02 0.12 -3.84 120.64 115.86 2nnd n GLU 43 Ca 0.11 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.14 2nnd n GLU 43 Cb 0.48 -0.97 -0.03 0.00 -0.02 0.00 0.00 31.44 30.90 2nnd n GLU 43 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 2nnd s GLN 44 N -1.94 1.06 -0.15 3.49 -2.07 -1.15 -2.26 119.66 116.64 2nnd s GLN 44 Ca 0.00 -0.29 0.02 0.00 -1.82 0.00 0.00 55.36 53.27 2nnd s GLN 44 Cb 0.00 0.49 0.02 0.00 -1.09 0.00 0.00 33.01 32.43 2nnd s GLN 44 CO 0.00 -0.45 -0.20 0.42 -1.32 0.00 0.00 175.29 173.75 2nnd s ILE 45 N -3.08 1.96 -0.34 3.63 1.01 -0.22 -1.83 121.20 122.34 2nnd s ILE 45 Ca 0.01 -0.90 -0.11 0.00 0.00 0.00 0.00 60.65 59.65 2nnd s ILE 45 Cb -0.01 -1.76 0.00 0.00 0.01 0.00 0.00 42.46 40.70 2nnd s ILE 45 CO -0.08 0.53 0.19 -2.28 0.00 0.00 0.00 174.94 173.30 2nnd s HIS 46 N 1.07 3.21 -0.19 3.97 2.46 -0.05 -0.33 115.29 125.43 2nnd s HIS 46 Ca -0.01 -0.62 -0.24 0.00 0.47 0.00 0.00 55.06 54.65 2nnd s HIS 46 Cb -0.14 -2.41 -0.01 0.00 -0.13 0.00 0.00 32.58 29.88 2nnd s HIS 46 CO -0.07 -0.50 0.78 0.08 -2.47 0.00 0.00 174.74 172.57 2nnd s VAL 47 N 1.62 4.90 0.55 0.89 1.01 -1.26 -0.62 120.40 127.49 2nnd s VAL 47 Ca 0.04 1.51 0.03 0.00 0.00 0.00 0.00 61.98 63.56 2nnd s VAL 47 Cb -0.18 -4.09 0.03 0.00 0.00 0.00 0.00 36.38 32.14 2nnd s VAL 47 CO 0.07 0.02 0.24 -0.76 0.00 0.00 0.00 175.10 174.67 2nnd s LEU 48 N 2.26 2.44 0.16 3.92 1.43 -0.13 -5.00 118.68 123.75 2nnd s LEU 48 Ca 0.35 -1.47 -0.16 0.00 -1.03 0.00 0.00 54.13 51.82 2nnd s LEU 48 Cb -0.16 -0.93 0.07 0.00 0.03 0.00 0.00 46.19 45.20 2nnd s LEU 48 CO 0.11 -1.07 1.74 -0.08 0.23 0.00 0.00 176.35 177.28 2nnd h GLU 49 N 0.94 0.25 0.00 1.70 4.81 -2.03 -3.27 114.58 116.98 2nnd h GLU 49 Ca -0.39 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 2nnd h GLU 49 Cb 1.32 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.64 2nnd h GLU 49 CO 0.64 0.16 -0.11 1.63 -0.73 0.00 0.00 179.01 180.60 2nnd n LYS 50 N -5.04 1.25 -3.76 1.92 5.02 -1.26 -5.08 118.16 111.21 2nnd n LYS 50 Ca 0.02 -1.84 -0.08 0.00 -2.02 0.00 0.00 58.31 54.39 2nnd n LYS 50 Cb 0.14 -1.10 -0.02 0.00 -0.02 0.00 0.00 35.03 34.04 2nnd n LYS 50 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2nnd s SER 51 N -1.84 -0.32 -0.07 4.39 1.04 -1.24 -2.11 113.70 113.56 2nnd s SER 51 Ca 0.16 -0.47 0.05 0.00 0.48 0.00 0.00 55.95 56.16 2nnd s SER 51 Cb 0.14 0.69 -0.00 0.00 0.10 0.00 0.00 66.02 66.94 2nnd s SER 51 CO 0.01 -1.24 -0.21 -0.76 0.98 0.00 0.00 173.24 172.02 2nnd s LEU 52 N -2.88 1.99 -0.28 2.42 1.43 0.38 -0.96 118.68 120.78 2nnd s LEU 52 Ca 0.09 -0.46 -0.12 0.00 -1.03 0.00 0.00 54.13 52.61 2nnd s LEU 52 Cb -0.05 -1.22 -0.05 0.00 0.03 0.00 0.00 46.19 44.91 2nnd s LEU 52 CO 0.03 0.18 0.24 -0.69 0.23 0.00 0.00 176.35 176.33 2nnd s VAL 53 N 0.12 5.27 -0.25 -1.59 1.01 0.21 -0.33 120.40 124.84 2nnd s VAL 53 Ca -0.09 0.28 -0.09 0.00 0.00 0.00 0.00 61.98 62.08 2nnd s VAL 53 Cb -0.15 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 2nnd s VAL 53 CO 0.05 0.23 0.13 -0.76 0.00 0.00 0.00 175.10 174.74 2nnd s LEU 54 N 1.82 3.79 -0.20 3.92 1.43 0.64 -0.87 118.68 129.22 2nnd s LEU 54 Ca 0.09 -0.06 -0.05 0.00 -1.03 0.00 0.00 54.13 53.09 2nnd s LEU 54 Cb -0.16 -2.03 -0.02 0.00 0.03 0.00 0.00 46.19 44.01 2nnd s LEU 54 CO 0.11 -0.00 -0.01 -0.54 0.23 0.00 0.00 176.35 176.14 2nnd s LYS 55 N 1.45 3.60 0.34 1.70 -0.14 -0.76 -1.08 119.74 124.85 2nnd s LYS 55 Ca 0.06 -0.53 0.05 0.00 -1.36 0.00 0.00 55.97 54.19 2nnd s LYS 55 Cb -0.15 -3.06 -0.07 0.00 -1.68 0.00 0.00 37.83 32.87 2nnd s LYS 55 CO 0.06 0.01 0.03 -0.06 -0.76 0.00 0.00 175.35 174.63 2nnd s PHE 56 N 1.01 2.08 0.24 3.18 0.40 0.65 0.12 117.98 125.66 2nnd s PHE 56 Ca 0.02 -0.86 0.10 0.00 -0.60 0.00 0.00 56.93 55.58 2nnd s PHE 56 Cb -0.14 -1.37 -0.05 0.00 0.51 0.00 0.00 43.02 41.97 2nnd s PHE 56 CO 0.01 0.14 -0.18 -3.38 0.70 0.00 0.00 175.22 172.51 2nnd s HIS 57 N -3.14 2.06 0.00 0.36 -3.43 0.25 -1.25 115.29 110.14 2nnd s HIS 57 Ca 0.35 -0.43 0.00 0.00 -0.80 0.00 0.00 55.06 54.19 2nnd s HIS 57 Cb 0.08 -0.93 0.00 0.00 -1.43 0.00 0.00 32.58 30.31 2nnd s HIS 57 CO 0.16 0.55 0.00 0.41 -2.00 0.00 0.00 174.74 173.86 2nnd n GLY 58 N -0.41 0.45 0.90 -1.38 0.00 -1.26 -0.62 105.19 102.86 2nnd n GLY 58 Ca -0.07 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.02 2nnd n GLY 58 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2nnd n SER 69 N 0.00 -3.34 -4.81 1.61 3.41 -1.26 -5.02 113.62 104.20 2nnd n SER 69 Ca 0.00 0.58 -0.37 0.00 -0.26 0.00 0.00 58.87 58.82 2nnd n SER 69 Cb 0.18 -2.95 -0.06 0.00 -0.26 0.00 0.00 64.21 61.12 2nnd n SER 69 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2nnd s GLU 70 N -4.43 4.22 -0.03 4.33 0.41 -1.26 -5.01 118.70 116.93 2nnd s GLU 70 Ca 0.00 0.79 0.01 0.00 -0.41 0.00 0.00 54.97 55.35 2nnd s GLU 70 Cb 0.00 -3.08 0.02 0.00 -1.78 0.00 0.00 34.13 29.30 2nnd s GLU 70 CO 0.00 0.53 -0.02 -1.17 -0.49 0.00 0.00 175.26 174.11 2nnd s LEU 71 N -1.54 1.32 -0.03 1.80 0.20 -0.38 -4.99 118.68 115.06 2nnd s LEU 71 Ca 0.36 -0.06 0.06 0.00 0.69 0.00 0.00 54.13 55.17 2nnd s LEU 71 Cb -0.18 -0.29 -0.01 0.00 -0.43 0.00 0.00 46.19 45.28 2nnd s LEU 71 CO 0.21 -0.07 -0.20 -0.55 -0.29 0.00 0.00 176.35 175.45 2nnd s SER 72 N 0.85 2.43 -0.01 3.68 0.15 -1.26 -0.26 113.70 119.29 2nnd s SER 72 Ca -0.09 -0.39 0.01 0.00 0.70 0.00 0.00 55.95 56.18 2nnd s SER 72 Cb -0.13 -0.47 0.00 0.00 -1.71 0.00 0.00 66.02 63.72 2nnd s SER 72 CO -0.01 0.22 -0.02 -0.04 1.20 0.00 0.00 173.24 174.59 2nnd s MET 73 N -0.26 0.21 -0.25 5.44 -1.94 -0.24 -4.99 119.30 117.27 2nnd s MET 73 Ca 0.02 -0.06 -0.08 0.00 -1.71 0.00 0.00 55.69 53.87 2nnd s MET 73 Cb -0.10 -0.24 -0.03 0.00 2.01 0.00 0.00 34.83 36.47 2nnd s MET 73 CO 0.01 0.02 0.08 0.08 -0.01 0.00 0.00 175.02 175.20 2nnd s VAL 74 N 0.13 4.40 -0.22 -6.03 1.01 -1.26 -0.26 120.40 118.17 2nnd s VAL 74 Ca -0.01 -0.14 -0.08 0.00 0.00 0.00 0.00 61.98 61.75 2nnd s VAL 74 Cb -0.03 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 2nnd s VAL 74 CO -0.00 0.34 0.08 0.00 0.00 0.00 0.00 175.10 175.51 2nnd s ALA 75 N 1.58 3.31 -0.02 5.51 0.00 0.55 -4.66 121.76 128.02 2nnd s ALA 75 Ca 0.06 -0.94 -0.05 0.00 0.00 0.00 0.00 51.96 51.03 2nnd s ALA 75 Cb -0.15 -2.04 -0.04 0.00 0.00 0.00 0.00 23.12 20.89 2nnd s ALA 75 CO 0.04 -0.17 0.21 -0.51 0.00 0.00 0.00 175.76 175.33 2nnd s ASP 76 N 1.03 6.43 0.32 0.00 1.01 0.10 -0.47 116.67 125.09 2nnd s ASP 76 Ca 0.04 0.47 -0.29 0.00 0.71 0.00 0.00 52.55 53.48 2nnd s ASP 76 Cb -0.14 -2.05 -0.12 0.00 1.01 0.00 0.00 42.92 41.61 2nnd s ASP 76 CO 0.03 0.29 1.43 0.29 0.21 0.00 0.00 175.17 177.42 2nnd n LYS 77 N 1.23 2.37 -1.01 8.23 5.02 -0.90 -0.68 118.16 132.43 2nnd n LYS 77 Ca -0.13 0.84 0.00 0.00 -2.02 0.00 0.00 58.31 57.00 2nnd n LYS 77 Cb 0.53 -2.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.02 2nnd n LYS 77 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2nnd n THR 78 N 1.13 0.00 0.28 -0.18 -2.24 -0.70 -4.82 114.28 107.74 2nnd n THR 78 Ca 0.06 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.99 2nnd n THR 78 Cb 0.36 -0.97 0.49 0.00 -2.10 0.00 0.00 70.33 68.11 2nnd n THR 78 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2nnd h GLU 79 N 0.00 0.00 -5.37 -0.78 5.08 -1.96 -3.42 114.58 108.13 2nnd h GLU 79 Ca 0.00 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.74 2nnd h GLU 79 Cb 0.00 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.14 2nnd h GLU 79 CO 0.00 0.00 -0.48 -1.59 -1.00 0.00 0.00 179.01 175.94 2nnd s LYS 80 N -3.47 3.99 0.26 2.33 -2.85 -1.26 -5.05 119.74 113.69 2nnd s LYS 80 Ca 0.04 -0.19 -0.31 0.00 -1.00 0.00 0.00 55.97 54.51 2nnd s LYS 80 Cb 0.08 -3.36 -0.12 0.00 -2.06 0.00 0.00 37.83 32.37 2nnd s LYS 80 CO 0.58 0.43 1.53 0.00 0.10 0.00 0.00 175.35 177.99 2nnd n ALA 81 N 3.10 2.00 -0.78 0.59 0.00 -1.26 -1.97 120.51 122.19 2nnd n ALA 81 Ca -0.17 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.66 2nnd n ALA 81 Cb 0.53 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.58 2nnd n ALA 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nnd n GLY 82 N 2.32 1.09 3.73 0.00 0.00 -1.22 -4.38 105.19 106.72 2nnd n GLY 82 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 2nnd n GLY 82 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2nnd s GLU 83 N -0.14 3.05 0.09 1.61 2.12 -0.83 -4.30 118.70 120.29 2nnd s GLU 83 Ca 0.00 -0.39 0.05 0.00 0.36 0.00 0.00 54.97 54.99 2nnd s GLU 83 Cb 0.00 -2.85 -0.03 0.00 0.26 0.00 0.00 34.13 31.50 2nnd s GLU 83 CO 0.00 0.70 -0.14 0.71 -0.54 0.00 0.00 175.26 175.99 2nnd s TYR 84 N -0.97 1.26 0.12 5.30 1.51 -0.38 -1.72 117.35 122.48 2nnd s TYR 84 Ca 0.16 -0.49 0.10 0.00 -1.01 0.00 0.00 57.07 55.82 2nnd s TYR 84 Cb -0.12 -0.70 -0.04 0.00 -0.11 0.00 0.00 41.96 41.00 2nnd s TYR 84 CO 0.05 0.08 -0.24 -1.54 -1.11 0.00 0.00 175.55 172.79 2nnd s SER 85 N -1.95 2.92 -0.16 2.29 1.04 0.14 -0.44 113.70 117.54 2nnd s SER 85 Ca 0.01 -0.73 -0.18 0.00 0.48 0.00 0.00 55.95 55.54 2nnd s SER 85 Cb -0.08 -0.18 0.05 0.00 0.10 0.00 0.00 66.02 65.90 2nnd s SER 85 CO 0.02 0.11 0.49 0.54 0.98 0.00 0.00 173.24 175.39 2nnd s VAL 86 N -1.17 0.00 -0.25 5.02 0.11 -0.30 -0.72 120.40 123.10 2nnd s VAL 86 Ca 0.11 -0.04 -0.22 0.00 -2.93 0.00 0.00 61.98 58.90 2nnd s VAL 86 Cb -0.10 -0.71 -0.01 0.00 -1.53 0.00 0.00 36.38 34.03 2nnd s VAL 86 CO 0.05 -0.02 0.70 -0.89 -3.33 0.00 0.00 175.10 171.61 2nnd s THR 87 N 0.05 4.93 -0.30 5.04 2.01 -1.26 -1.15 115.64 124.96 2nnd s THR 87 Ca -0.02 1.26 -0.12 0.00 0.31 0.00 0.00 61.69 63.12 2nnd s THR 87 Cb -0.03 -4.00 0.16 0.00 0.01 0.00 0.00 72.50 68.63 2nnd s THR 87 CO 0.02 -0.02 0.87 -0.47 -0.69 0.00 0.00 174.62 174.32 2nnd s TYR 88 N 2.63 -0.93 -1.46 4.92 5.04 -1.26 -4.95 117.35 121.33 2nnd s TYR 88 Ca 0.29 1.50 -0.00 0.00 -2.44 0.00 0.00 57.07 56.41 2nnd s TYR 88 Cb -0.15 0.52 0.00 0.00 0.35 0.00 0.00 41.96 42.67 2nnd s TYR 88 CO 0.08 -0.47 0.24 -3.47 -1.34 0.00 0.00 175.55 170.59 2nnd n ASP 89 N 5.19 0.20 0.00 4.32 2.03 -1.26 -4.51 116.55 122.51 2nnd n ASP 89 Ca -0.09 -1.13 0.00 0.00 0.52 0.00 0.00 54.79 54.09 2nnd n ASP 89 Cb 0.51 -2.42 0.00 0.00 -0.72 0.00 0.00 41.12 38.50 2nnd n ASP 89 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2nnd n GLY 90 N -2.24 -0.75 3.51 0.27 0.00 -1.26 -4.74 105.19 99.98 2nnd n GLY 90 Ca -0.32 -2.16 -0.35 0.00 0.00 0.00 0.00 46.02 43.19 2nnd n GLY 90 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2nnd s PHE 91 N 0.00 3.11 -0.01 1.61 5.36 0.12 -4.46 117.98 123.71 2nnd s PHE 91 Ca 0.00 -0.25 0.08 0.00 -0.96 0.00 0.00 56.93 55.80 2nnd s PHE 91 Cb 0.00 -2.10 -0.02 0.00 -0.34 0.00 0.00 43.02 40.55 2nnd s PHE 91 CO 0.00 -0.11 -0.24 -0.80 -1.46 0.00 0.00 175.22 172.60 2nnd s ASN 92 N 0.86 3.20 0.02 6.13 0.01 -0.30 -0.53 114.94 124.33 2nnd s ASN 92 Ca 0.02 -0.45 0.06 0.00 -0.71 0.00 0.00 52.86 51.79 2nnd s ASN 92 Cb -0.14 -0.40 -0.02 0.00 0.41 0.00 0.00 41.25 41.10 2nnd s ASN 92 CO 0.02 0.32 -0.19 0.42 -1.51 0.00 0.00 177.10 176.16 2nnd s THR 93 N -0.65 1.51 0.06 1.60 -4.23 -0.51 -1.15 115.64 112.27 2nnd s THR 93 Ca 0.10 -1.00 -0.06 0.00 -1.18 0.00 0.00 61.69 59.55 2nnd s THR 93 Cb -0.10 -1.30 -0.01 0.00 1.34 0.00 0.00 72.50 72.43 2nnd s THR 93 CO -0.00 0.27 0.12 0.72 -0.54 0.00 0.00 174.62 175.18 2nnd s PHE 94 N -0.65 0.23 0.39 3.99 -0.71 0.42 -0.63 117.98 121.03 2nnd s PHE 94 Ca 0.07 -0.63 0.04 0.00 -1.04 0.00 0.00 56.93 55.36 2nnd s PHE 94 Cb -0.08 -0.15 -0.03 0.00 -1.21 0.00 0.00 43.02 41.55 2nnd s PHE 94 CO 0.01 -0.44 0.12 0.95 -1.34 0.00 0.00 175.22 174.52 2nnd s THR 95 N -3.37 0.65 -0.53 -4.49 -4.23 -0.39 -1.24 115.64 102.03 2nnd s THR 95 Ca 0.01 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.56 2nnd s THR 95 Cb 0.03 -2.42 0.13 0.00 1.34 0.00 0.00 72.50 71.59 2nnd s THR 95 CO -0.08 0.00 0.27 -0.63 -0.54 0.00 0.00 174.62 173.64 2nnd s ILE 96 N -3.25 2.64 0.56 2.99 1.01 -1.26 -1.21 121.20 122.67 2nnd s ILE 96 Ca 0.26 -3.35 0.25 0.00 0.00 0.00 0.00 60.65 57.81 2nnd s ILE 96 Cb 0.03 -2.82 0.32 0.00 0.01 0.00 0.00 42.46 40.00 2nnd s ILE 96 CO 0.15 -0.81 2.21 1.55 0.00 0.00 0.00 174.94 178.04 2nnd h PRO 97 N 6.47 0.00 -2.10 2.79 0.13 -1.86 0.37 132.00 137.80 2nnd h PRO 97 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2nnd h PRO 97 Cb 0.89 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 31.80 2nnd h PRO 97 CO 0.69 0.01 -0.04 0.21 -0.23 0.00 0.00 178.00 178.64 2nnd s LYS 98 N -4.77 0.65 0.00 0.86 2.47 -1.23 -4.26 119.74 113.47 2nnd s LYS 98 Ca -0.05 1.17 -0.11 0.00 -1.56 0.00 0.00 55.97 55.42 2nnd s LYS 98 Cb 0.16 0.15 0.01 0.00 -1.46 0.00 0.00 37.83 36.69 2nnd s LYS 98 CO 0.59 -0.15 0.23 -0.08 0.16 0.00 0.00 175.35 176.09 2nnd s THR 99 N 1.66 0.08 -0.91 3.43 -1.32 -0.26 -0.14 115.64 118.17 2nnd s THR 99 Ca -0.10 -0.63 0.13 0.00 -1.21 0.00 0.00 61.69 59.88 2nnd s THR 99 Cb -0.06 -0.61 0.40 0.00 -1.51 0.00 0.00 72.50 70.72 2nnd s THR 99 CO -0.19 -0.35 1.33 -0.90 -2.21 0.00 0.00 174.62 172.30 2nnd n ASP 100 N 1.21 3.28 0.00 8.08 5.75 -1.04 -1.21 116.55 132.62 2nnd n ASP 100 Ca -0.21 -2.18 0.00 0.00 -0.01 0.00 0.00 54.79 52.38 2nnd n ASP 100 Cb 0.56 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 40.33 2nnd n ASP 100 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 2nnd n TYR 101 N 0.49 0.00 0.23 2.11 4.01 -1.25 -4.39 117.16 118.37 2nnd n TYR 101 Ca 0.15 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 58.00 2nnd n TYR 101 Cb 0.54 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.45 2nnd n TYR 101 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2nnd n ASP 102 N 0.58 0.32 0.04 7.72 8.00 -1.26 -4.76 116.55 127.18 2nnd n ASP 102 Ca 0.00 -0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.35 2nnd n ASP 102 Cb 0.00 1.54 0.00 0.00 -0.02 0.00 0.00 41.12 42.64 2nnd n ASP 102 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2nnd n ASN 103 N -2.14 0.33 -4.23 -2.24 3.02 -1.26 -4.74 115.26 103.99 2nnd n ASN 103 Ca -0.02 0.13 -0.13 0.00 -0.03 0.00 0.00 54.58 54.54 2nnd n ASN 103 Cb 0.51 -0.04 -0.10 0.00 -0.61 0.00 0.00 39.78 39.55 2nnd n ASN 103 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 2nnd s PHE 104 N -2.00 1.17 -0.07 3.10 -0.12 -1.26 -1.47 117.98 117.32 2nnd s PHE 104 Ca 0.00 -0.80 -0.03 0.00 -0.05 0.00 0.00 56.93 56.05 2nnd s PHE 104 Cb 0.00 -0.61 0.04 0.00 -0.63 0.00 0.00 43.02 41.82 2nnd s PHE 104 CO 0.00 0.02 0.14 -1.17 -0.05 0.00 0.00 175.22 174.16 2nnd s LEU 105 N -3.13 0.30 -0.17 -1.99 0.20 -0.31 -2.49 118.68 111.08 2nnd s LEU 105 Ca 0.15 0.29 -0.03 0.00 0.69 0.00 0.00 54.13 55.23 2nnd s LEU 105 Cb 0.03 0.26 -0.02 0.00 -0.43 0.00 0.00 46.19 46.03 2nnd s LEU 105 CO -0.01 -0.20 -0.06 -0.04 -0.29 0.00 0.00 176.35 175.75 2nnd s MET 106 N 1.80 3.53 0.06 1.98 -1.94 0.80 -0.77 119.30 124.76 2nnd s MET 106 Ca -0.02 -0.58 0.08 0.00 -1.71 0.00 0.00 55.69 53.46 2nnd s MET 106 Cb -0.12 -2.89 -0.03 0.00 2.01 0.00 0.00 34.83 33.80 2nnd s MET 106 CO -0.05 0.10 -0.22 0.00 -0.01 0.00 0.00 175.02 174.84 2nnd s ALA 107 N 0.70 2.45 -0.13 3.03 0.00 -0.28 -2.84 121.76 124.69 2nnd s ALA 107 Ca -0.03 -1.26 0.02 0.00 0.00 0.00 0.00 51.96 50.69 2nnd s ALA 107 Cb -0.15 -0.59 0.01 0.00 0.00 0.00 0.00 23.12 22.39 2nnd s ALA 107 CO 0.02 0.56 -0.17 -1.58 0.00 0.00 0.00 175.76 174.58 2nnd s HIS 108 N -0.91 2.25 -0.00 0.00 5.65 -0.35 -1.33 115.29 120.61 2nnd s HIS 108 Ca 0.14 -1.13 0.06 0.00 0.25 0.00 0.00 55.06 54.37 2nnd s HIS 108 Cb -0.10 -1.59 -0.02 0.00 -1.18 0.00 0.00 32.58 29.69 2nnd s HIS 108 CO 0.04 -0.56 -0.18 -1.17 -0.65 0.00 0.00 174.74 172.23 2nnd s LEU 109 N 1.02 2.06 -0.16 8.88 0.20 0.61 -1.27 118.68 130.02 2nnd s LEU 109 Ca -0.05 -0.35 -0.01 0.00 0.69 0.00 0.00 54.13 54.41 2nnd s LEU 109 Cb -0.15 -0.88 -0.01 0.00 -0.43 0.00 0.00 46.19 44.72 2nnd s LEU 109 CO -0.03 0.20 -0.11 -0.63 -0.29 0.00 0.00 176.35 175.48 2nnd s ILE 110 N -0.48 3.08 -0.07 6.68 -1.09 0.20 -0.64 121.20 128.88 2nnd s ILE 110 Ca 0.06 -0.63 -0.01 0.00 -2.23 0.00 0.00 60.65 57.84 2nnd s ILE 110 Cb -0.07 -2.33 -0.03 0.00 -1.58 0.00 0.00 42.46 38.45 2nnd s ILE 110 CO -0.00 0.50 0.01 0.21 -1.23 0.00 0.00 174.94 174.42 2nnd s ASN 111 N 0.75 5.26 -0.13 3.58 3.84 -0.46 -1.42 114.94 126.37 2nnd s ASN 111 Ca -0.05 0.13 0.00 0.00 0.21 0.00 0.00 52.86 53.15 2nnd s ASN 111 Cb -0.15 -1.47 0.02 0.00 -0.55 0.00 0.00 41.25 39.10 2nnd s ASN 111 CO 0.01 0.36 -0.11 -1.61 -2.79 0.00 0.00 177.10 172.96 2nnd s GLU 112 N -1.02 1.97 -0.08 0.43 2.02 0.30 -1.96 118.70 120.36 2nnd s GLU 112 Ca 0.15 -0.43 -0.04 0.00 0.02 0.00 0.00 54.97 54.67 2nnd s GLU 112 Cb -0.11 -1.88 0.04 0.00 0.10 0.00 0.00 34.13 32.27 2nnd s GLU 112 CO 0.04 -0.25 0.19 0.21 0.02 0.00 0.00 175.26 175.47 2nnd s LYS 113 N 1.57 0.15 -1.42 1.61 2.20 -1.02 -0.70 119.74 122.13 2nnd s LYS 113 Ca 0.05 0.40 -0.05 0.00 -0.36 0.00 0.00 55.97 56.01 2nnd s LYS 113 Cb -0.13 -0.10 0.02 0.00 -1.51 0.00 0.00 37.83 36.11 2nnd s LYS 113 CO -0.09 -0.14 0.41 -0.25 -0.36 0.00 0.00 175.35 174.92 2nnd n ASP 114 N 3.96 -5.02 0.00 1.43 10.43 -1.26 -0.88 116.55 125.21 2nnd n ASP 114 Ca -0.23 -0.21 0.00 0.00 2.57 0.00 0.00 54.79 56.91 2nnd n ASP 114 Cb 0.54 -4.12 0.00 0.00 1.84 0.00 0.00 41.12 39.37 2nnd n ASP 114 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2nnd n GLY 115 N -1.25 0.87 3.93 0.44 0.00 -1.26 -5.02 105.19 102.90 2nnd n GLY 115 Ca -0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 2nnd n GLY 115 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2nnd s GLU 116 N -0.15 2.26 0.07 1.61 2.02 -0.06 -5.15 118.70 119.30 2nnd s GLU 116 Ca 0.00 -1.94 -0.11 0.00 0.02 0.00 0.00 54.97 52.94 2nnd s GLU 116 Cb 0.00 -2.21 0.01 0.00 0.10 0.00 0.00 34.13 32.03 2nnd s GLU 116 CO 0.00 -0.67 0.25 -0.08 0.02 0.00 0.00 175.26 174.77 2nnd s THR 117 N -2.75 0.11 0.16 3.63 -1.32 -1.26 -2.43 115.64 111.78 2nnd s THR 117 Ca 0.40 -0.92 -0.15 0.00 -1.21 0.00 0.00 61.69 59.81 2nnd s THR 117 Cb -0.03 -1.14 0.02 0.00 -1.51 0.00 0.00 72.50 69.85 2nnd s THR 117 CO 0.25 -0.51 0.41 0.72 -2.21 0.00 0.00 174.62 173.28 2nnd s PHE 118 N -3.29 -0.04 -0.16 9.09 -0.12 -0.83 -4.99 117.98 117.64 2nnd s PHE 118 Ca 0.00 -0.30 -0.08 0.00 -0.05 0.00 0.00 56.93 56.50 2nnd s PHE 118 Cb 0.02 0.23 -0.04 0.00 -0.63 0.00 0.00 43.02 42.60 2nnd s PHE 118 CO -0.08 -0.78 0.12 -0.65 -0.05 0.00 0.00 175.22 173.79 2nnd s GLN 119 N -3.86 3.79 -0.07 1.99 -0.21 -1.26 -1.35 119.66 118.68 2nnd s GLN 119 Ca 0.08 -0.20 0.05 0.00 0.02 0.00 0.00 55.36 55.31 2nnd s GLN 119 Cb 0.01 -3.27 -0.01 0.00 1.00 0.00 0.00 33.01 30.74 2nnd s GLN 119 CO -0.06 0.53 -0.21 -1.17 -2.12 0.00 0.00 175.29 172.25 2nnd s LEU 120 N -0.30 2.27 0.00 2.90 2.96 0.19 -2.40 118.68 124.30 2nnd s LEU 120 Ca 0.11 -0.44 0.08 0.00 -0.22 0.00 0.00 54.13 53.66 2nnd s LEU 120 Cb -0.12 -1.44 -0.02 0.00 0.50 0.00 0.00 46.19 45.11 2nnd s LEU 120 CO 0.01 0.24 -0.24 -0.04 -1.32 0.00 0.00 176.35 175.00 2nnd s MET 121 N -0.12 1.83 0.02 1.98 -1.94 0.46 -0.29 119.30 121.25 2nnd s MET 121 Ca -0.04 -0.91 0.03 0.00 -1.71 0.00 0.00 55.69 53.06 2nnd s MET 121 Cb -0.14 -1.84 -0.02 0.00 2.01 0.00 0.00 34.83 34.84 2nnd s MET 121 CO 0.04 0.50 -0.11 0.20 -0.01 0.00 0.00 175.02 175.64 2nnd s GLY 122 N -0.77 0.59 -0.18 -0.03 0.00 -0.44 -0.40 107.32 106.09 2nnd s GLY 122 Ca 0.09 -0.63 -0.00 0.00 0.00 0.00 0.00 44.72 44.18 2nnd s GLY 122 CO 0.00 -0.60 -0.15 -2.27 0.00 0.00 0.00 173.10 170.08 2nnd s LEU 123 N -0.83 2.44 0.07 0.66 2.96 0.22 -1.12 118.68 123.07 2nnd s LEU 123 Ca 0.00 -0.52 0.09 0.00 -0.22 0.00 0.00 54.13 53.49 2nnd s LEU 123 Cb -0.06 -1.57 -0.03 0.00 0.50 0.00 0.00 46.19 45.03 2nnd s LEU 123 CO 0.00 0.03 -0.26 -0.31 -1.32 0.00 0.00 176.35 174.50 2nnd s TYR 124 N 1.14 2.22 0.14 5.38 2.02 0.05 -0.79 117.35 127.52 2nnd s TYR 124 Ca 0.01 -0.40 0.08 0.00 -0.37 0.00 0.00 57.07 56.39 2nnd s TYR 124 Cb -0.14 -1.29 -0.04 0.00 -0.40 0.00 0.00 41.96 40.09 2nnd s TYR 124 CO -0.05 0.18 -0.19 0.20 -1.57 0.00 0.00 175.55 174.11 2nnd s GLY 125 N -1.48 1.34 0.31 0.71 0.00 -0.10 -1.16 107.32 106.95 2nnd s GLY 125 Ca 0.11 -1.40 0.09 0.00 0.00 0.00 0.00 44.72 43.52 2nnd s GLY 125 CO 0.03 -1.44 1.71 3.21 0.00 0.00 0.00 173.10 176.62 2nnd h ARG 126 N 3.55 0.11 -6.35 2.90 2.47 -1.50 0.90 114.38 116.46 2nnd h ARG 126 Ca -0.44 -0.06 -0.44 0.00 -1.26 0.00 0.00 59.98 57.79 2nnd h ARG 126 Cb 1.20 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.52 2nnd h ARG 126 CO 0.47 0.55 -0.32 -1.21 0.56 0.00 0.00 179.97 180.02 2nnd s GLU 127 N -4.02 2.91 0.00 0.04 2.02 -1.26 -4.69 118.70 113.69 2nnd s GLU 127 Ca -0.03 -1.18 0.10 0.00 0.02 0.00 0.00 54.97 53.88 2nnd s GLU 127 Cb 0.13 -2.72 0.61 0.00 0.10 0.00 0.00 34.13 32.25 2nnd s GLU 127 CO 0.76 -0.10 1.03 -2.30 0.02 0.00 0.00 175.26 174.67 2nnd n PRO 128 N -1.69 0.40 -3.98 0.39 -0.02 -1.26 -4.57 135.00 124.26 2nnd n PRO 128 Ca 0.03 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.42 2nnd n PRO 128 Cb 0.59 -1.40 -0.05 0.00 -0.02 0.00 0.00 33.50 32.63 2nnd n PRO 128 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2nnd s ASP 129 N -1.92 -0.06 0.16 2.55 -1.08 -1.26 -4.79 116.67 110.27 2nnd s ASP 129 Ca 0.15 -0.93 0.02 0.00 -0.52 0.00 0.00 52.55 51.27 2nnd s ASP 129 Cb 0.07 0.62 -0.05 0.00 -1.46 0.00 0.00 42.92 42.10 2nnd s ASP 129 CO 0.12 -1.19 -0.00 -0.76 0.52 0.00 0.00 175.17 173.85 2nnd s LEU 130 N -3.02 2.15 0.75 -1.34 1.43 -1.26 -4.83 118.68 112.56 2nnd s LEU 130 Ca 0.21 -1.15 -0.14 0.00 -1.03 0.00 0.00 54.13 52.03 2nnd s LEU 130 Cb -0.01 -0.04 0.05 0.00 0.03 0.00 0.00 46.19 46.22 2nnd s LEU 130 CO 0.09 -0.56 1.16 -0.94 0.23 0.00 0.00 176.35 176.33 2nnd s SER 131 N -3.15 4.25 0.40 2.29 1.04 -1.26 -4.86 113.70 112.41 2nnd s SER 131 Ca 0.22 2.17 0.08 0.00 0.48 0.00 0.00 55.95 58.89 2nnd s SER 131 Cb 0.06 -2.57 0.83 0.00 0.10 0.00 0.00 66.02 64.44 2nnd s SER 131 CO 0.03 -2.22 2.01 0.77 0.98 0.00 0.00 173.24 174.81 2nnd h SER 132 N -0.59 0.41 -0.47 7.02 4.64 -2.01 -1.72 113.55 120.83 2nnd h SER 132 Ca -0.46 -0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 60.82 2nnd h SER 132 Cb 1.27 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 63.23 2nnd h SER 132 CO 0.50 0.36 0.28 0.44 -0.87 0.00 0.00 176.83 177.54 2nnd h ASP 133 N 0.46 0.56 -0.56 4.97 5.19 -1.99 0.12 116.42 125.18 2nnd h ASP 133 Ca 0.12 -0.06 -0.10 0.00 -0.62 0.00 0.00 57.03 56.36 2nnd h ASP 133 Cb 0.08 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 39.42 2nnd h ASP 133 CO -0.01 0.46 -0.05 0.40 -3.12 0.00 0.00 179.24 176.91 2nnd h ILE 134 N 0.62 1.27 -0.50 0.35 2.04 -1.84 -1.48 117.51 117.97 2nnd h ILE 134 Ca 0.17 -1.20 -0.02 0.00 1.00 0.00 0.00 64.86 64.80 2nnd h ILE 134 Cb -0.00 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 2nnd h ILE 134 CO -0.03 0.43 0.21 0.11 0.00 0.00 0.00 178.15 178.87 2nnd h LYS 135 N 0.93 0.70 -0.47 2.37 1.57 -0.98 -1.12 116.57 119.58 2nnd h LYS 135 Ca 0.16 -0.09 -0.09 0.00 -1.87 0.00 0.00 60.65 58.75 2nnd h LYS 135 Cb 0.61 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 2nnd h LYS 135 CO 0.04 0.57 -0.08 1.49 -0.57 0.00 0.00 179.45 180.90 2nnd h GLU 136 N 0.70 0.88 -0.54 3.15 4.57 -0.58 -1.80 114.58 120.96 2nnd h GLU 136 Ca 0.17 -0.32 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 2nnd h GLU 136 Cb 0.11 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.62 2nnd h GLU 136 CO -0.02 0.96 0.34 0.00 -1.18 0.00 0.00 179.01 179.11 2nnd h ARG 137 N 0.73 0.72 -0.53 1.92 3.08 -0.72 -0.93 114.38 118.65 2nnd h ARG 137 Ca 0.12 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 60.04 2nnd h ARG 137 Cb 0.61 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 2nnd h ARG 137 CO 0.04 0.49 -0.01 0.35 -1.07 0.00 0.00 179.97 179.78 2nnd h PHE 138 N 0.74 1.03 -0.61 3.04 3.57 -0.96 -1.66 116.94 122.09 2nnd h PHE 138 Ca 0.20 -0.18 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 2nnd h PHE 138 Cb -0.05 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.39 2nnd h PHE 138 CO 0.00 0.95 0.33 0.00 -2.23 0.00 0.00 178.31 177.36 2nnd h ALA 139 N 0.95 1.44 -0.62 2.41 0.00 -0.53 -0.12 119.26 122.78 2nnd h ALA 139 Ca 0.15 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 2nnd h ALA 139 Cb 0.54 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2nnd h ALA 139 CO 0.03 0.46 0.06 1.96 0.00 0.00 0.00 179.25 181.76 2nnd h GLN 140 N 0.85 1.04 -0.50 0.00 1.08 -0.91 -1.21 115.11 115.45 2nnd h GLN 140 Ca 0.22 -0.29 -0.11 0.00 -1.45 0.00 0.00 58.65 57.01 2nnd h GLN 140 Cb 0.03 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.33 2nnd h GLN 140 CO -0.04 0.98 -0.13 1.25 -0.95 0.00 0.00 178.83 179.94 2nnd h LEU 141 N 0.96 0.98 -0.63 1.46 5.85 -0.54 -2.10 115.31 121.30 2nnd h LEU 141 Ca 0.19 -0.36 0.04 0.00 0.84 0.00 0.00 57.88 58.58 2nnd h LEU 141 Cb 0.47 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 2nnd h LEU 141 CO 0.02 1.12 0.37 0.00 -0.34 0.00 0.00 178.44 179.61 2nnd h GLU 143 N 0.70 1.03 0.00 0.00 4.81 -0.91 -0.09 114.58 120.12 2nnd h GLU 143 Ca 0.27 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 2nnd h GLU 143 Cb 0.11 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.25 2nnd h GLU 143 CO -0.14 0.68 0.00 0.93 -0.73 0.00 0.00 179.01 179.75 2nnd h GLU 144 N 1.07 0.00 -0.34 1.92 5.08 -0.80 -1.50 114.58 120.00 2nnd h GLU 144 Ca 0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 2nnd h GLU 144 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2nnd h GLU 144 CO -0.17 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 178.56 2nnd n HIS 145 N -2.62 0.73 -1.82 4.33 8.25 -0.18 -4.96 115.22 118.95 2nnd n HIS 145 Ca -0.01 -0.66 -0.07 0.00 -0.26 0.00 0.00 57.72 56.73 2nnd n HIS 145 Cb 0.13 -0.16 -0.01 0.00 1.12 0.00 0.00 29.99 31.07 2nnd n HIS 145 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2nnd n GLY 146 N 0.16 0.36 3.45 -1.41 0.00 -0.57 -5.02 105.19 102.15 2nnd n GLY 146 Ca 0.16 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 45.16 2nnd n GLY 146 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2nnd s ILE 147 N -2.30 4.36 0.49 -0.61 1.01 -0.43 -4.97 121.20 118.74 2nnd s ILE 147 Ca 0.00 -0.20 -0.21 0.00 0.00 0.00 0.00 60.65 60.24 2nnd s ILE 147 Cb 0.00 -3.06 -0.07 0.00 0.01 0.00 0.00 42.46 39.33 2nnd s ILE 147 CO 0.00 0.30 1.11 -0.76 0.00 0.00 0.00 174.94 175.60 2nnd s LEU 148 N 1.62 3.89 0.47 2.97 1.43 -1.26 -3.70 118.68 124.09 2nnd s LEU 148 Ca 0.06 2.16 0.20 0.00 -1.03 0.00 0.00 54.13 55.52 2nnd s LEU 148 Cb -0.15 -4.43 1.20 0.00 0.03 0.00 0.00 46.19 42.83 2nnd s LEU 148 CO 0.04 -0.97 1.93 0.03 0.23 0.00 0.00 176.35 177.61 2nnd h ARG 149 N 1.66 0.25 0.00 1.70 3.08 -1.95 -0.14 114.38 118.99 2nnd h ARG 149 Ca -0.50 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.54 2nnd h ARG 149 Cb 1.24 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.24 2nnd h ARG 149 CO 0.59 0.17 0.00 -0.85 -1.07 0.00 0.00 179.97 178.80 2nnd n GLU 150 N -4.43 0.08 -0.47 0.04 0.28 -1.26 -1.29 120.64 113.58 2nnd n GLU 150 Ca 0.14 0.40 0.09 0.00 -0.16 0.00 0.00 57.16 57.63 2nnd n GLU 150 Cb 0.61 -1.68 0.31 0.00 1.43 0.00 0.00 31.44 32.12 2nnd n GLU 150 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2nnd n ASN 151 N -1.83 4.22 -4.47 -1.84 5.03 -0.07 -4.89 115.26 111.41 2nnd n ASN 151 Ca 0.02 -2.30 -0.35 0.00 0.87 0.00 0.00 54.58 52.82 2nnd n ASN 151 Cb 0.14 -0.50 -0.12 0.00 -1.02 0.00 0.00 39.78 38.28 2nnd n ASN 151 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2nnd s ILE 152 N -1.55 4.13 -0.24 2.41 1.01 -0.41 -2.08 121.20 124.47 2nnd s ILE 152 Ca 0.46 -0.25 0.01 0.00 0.00 0.00 0.00 60.65 60.87 2nnd s ILE 152 Cb 0.28 -2.89 0.04 0.00 0.01 0.00 0.00 42.46 39.90 2nnd s ILE 152 CO 0.25 0.41 -0.12 -0.63 0.00 0.00 0.00 174.94 174.85 2nnd s ILE 153 N 1.10 2.36 -0.16 2.92 1.01 0.71 -5.00 121.20 124.14 2nnd s ILE 153 Ca 0.03 -1.28 -0.29 0.00 0.00 0.00 0.00 60.65 59.11 2nnd s ILE 153 Cb -0.14 -2.24 -0.01 0.00 0.01 0.00 0.00 42.46 40.08 2nnd s ILE 153 CO 0.02 0.18 1.20 -0.62 0.00 0.00 0.00 174.94 175.72 2nnd s ASP 154 N 1.22 7.00 -0.04 3.58 -1.08 -1.26 -1.65 116.67 124.44 2nnd s ASP 154 Ca -0.03 1.65 0.13 0.00 -0.52 0.00 0.00 52.55 53.78 2nnd s ASP 154 Cb -0.17 -2.54 0.38 0.00 -1.46 0.00 0.00 42.92 39.13 2nnd s ASP 154 CO -0.07 -0.70 1.32 0.18 0.52 0.00 0.00 175.17 176.42 2nnd n LEU 155 N 6.24 3.24 0.28 -1.34 4.77 0.84 -4.63 117.00 126.40 2nnd n LEU 155 Ca 0.13 -2.20 0.17 0.00 -0.03 0.00 0.00 56.01 54.08 2nnd n LEU 155 Cb 0.45 -0.32 0.78 0.00 -2.33 0.00 0.00 43.42 42.01 2nnd n LEU 155 CO 0.55 0.74 1.01 0.77 -1.33 0.00 0.00 177.39 179.12 2nnd h SER 156 N 2.20 0.00 -0.57 -1.43 4.64 -1.77 -1.76 113.55 114.87 2nnd h SER 156 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2nnd h SER 156 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 2nnd h SER 156 CO 0.05 0.05 0.00 -3.20 -0.87 0.00 0.00 176.83 172.86 2nnd n ASN 157 N -3.23 3.77 -0.12 4.97 2.85 -1.26 -4.96 115.26 117.28 2nnd n ASN 157 Ca -0.01 -2.13 0.02 0.00 -0.11 0.00 0.00 54.58 52.35 2nnd n ASN 157 Cb 0.26 -0.42 0.01 0.00 1.24 0.00 0.00 39.78 40.87 2nnd n ASN 157 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15