#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k9m n GLU 5 N 0.00 -4.71 -3.47 0.00 1.02 -1.26 -5.03 120.64 107.19 1k9m n GLU 5 Ca 0.00 3.39 -0.23 0.00 -0.02 0.00 0.00 57.16 60.30 1k9m n GLU 5 Cb 0.00 -4.19 -0.12 0.00 -0.02 0.00 0.00 31.44 27.10 1k9m n GLU 5 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1k9m s PHE 6 N -0.52 -0.08 -0.87 -0.32 5.36 -1.26 -5.06 117.98 115.23 1k9m s PHE 6 Ca 0.00 -0.49 -0.27 0.00 -0.96 0.00 0.00 56.93 55.21 1k9m s PHE 6 Cb 0.00 -0.67 -0.24 0.00 -0.34 0.00 0.00 43.02 41.77 1k9m s PHE 6 CO 0.00 -0.86 1.97 -0.25 -1.46 0.00 0.00 175.22 174.63 1k9m n ASP 7 N 5.28 1.60 -4.68 6.13 8.00 -1.26 -4.88 116.55 126.74 1k9m n ASP 7 Ca -0.04 -2.54 -0.43 0.00 0.71 0.00 0.00 54.79 52.50 1k9m n ASP 7 Cb 0.44 -1.46 -0.02 0.00 -0.02 0.00 0.00 41.12 40.06 1k9m n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k9m s ALA 8 N 13.74 3.44 0.06 2.24 0.00 -1.26 -4.79 121.76 135.20 1k9m s ALA 8 Ca 0.76 0.36 0.26 0.00 0.00 0.00 0.00 51.96 53.34 1k9m s ALA 8 Cb 0.01 -3.45 0.95 0.00 0.00 0.00 0.00 23.12 20.62 1k9m s ALA 8 CO 0.21 -0.67 1.83 -0.44 0.00 0.00 0.00 175.76 176.69 1k9m h ASP 9 N 7.16 0.00 -3.65 0.00 3.32 -0.92 -3.43 116.42 118.90 1k9m h ASP 9 Ca -0.29 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.55 1k9m h ASP 9 Cb 1.14 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.40 1k9m h ASP 9 CO 0.87 0.16 -0.57 -0.69 -1.72 0.00 0.00 179.24 177.29 1k9m s VAL 10 N -3.58 -0.02 -0.21 -1.35 1.01 -0.95 -4.99 120.40 110.31 1k9m s VAL 10 Ca 0.01 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.07 1k9m s VAL 10 Cb 0.09 -0.22 0.03 0.00 0.00 0.00 0.00 36.38 36.28 1k9m s VAL 10 CO 0.62 0.03 -0.15 -0.63 0.00 0.00 0.00 175.10 174.97 1k9m s ILE 11 N 0.48 2.32 -0.13 2.22 1.01 -1.26 -1.94 121.20 123.89 1k9m s ILE 11 Ca -0.03 -1.08 -0.04 0.00 0.00 0.00 0.00 60.65 59.50 1k9m s ILE 11 Cb -0.05 -2.10 -0.03 0.00 0.01 0.00 0.00 42.46 40.28 1k9m s ILE 11 CO -0.02 0.35 0.01 -0.69 0.00 0.00 0.00 174.94 174.59 1k9m s VAL 12 N 1.27 4.39 -0.29 2.92 1.01 0.38 -0.48 120.40 129.60 1k9m s VAL 12 Ca 0.01 -0.19 -0.13 0.00 0.00 0.00 0.00 61.98 61.66 1k9m s VAL 12 Cb -0.15 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 1k9m s VAL 12 CO -0.09 0.53 0.30 -0.62 0.00 0.00 0.00 175.10 175.22 1k9m s ASP 13 N -0.19 6.14 0.00 3.32 -1.08 -0.07 0.49 116.67 125.28 1k9m s ASP 13 Ca 0.06 0.04 0.28 0.00 -0.52 0.00 0.00 52.55 52.40 1k9m s ASP 13 Cb -0.12 -2.17 1.04 0.00 -1.46 0.00 0.00 42.92 40.20 1k9m s ASP 13 CO 0.02 -0.17 1.74 0.00 0.52 0.00 0.00 175.17 177.28 1k9m n ALA 14 N 5.23 2.82 -1.68 3.66 0.00 0.32 -4.73 120.51 126.13 1k9m n ALA 14 Ca -0.11 -0.37 -0.47 0.00 0.00 0.00 0.00 53.44 52.50 1k9m n ALA 14 Cb 0.51 -1.22 -0.04 0.00 0.00 0.00 0.00 19.45 18.70 1k9m n ALA 14 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1k9m n ARG 15 N -0.49 2.29 -3.11 0.00 0.63 -1.26 -1.40 116.66 113.33 1k9m n ARG 15 Ca 0.16 0.84 -0.23 0.00 -0.92 0.00 0.00 57.85 57.70 1k9m n ARG 15 Cb 0.32 -2.68 0.04 0.00 0.45 0.00 0.00 32.46 30.58 1k9m n ARG 15 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1k9m n ASP 16 N 5.87 -6.00 -4.34 6.15 9.92 -0.87 -4.93 116.55 122.35 1k9m n ASP 16 Ca 0.21 -0.32 -0.26 0.00 -0.53 0.00 0.00 54.79 53.88 1k9m n ASP 16 Cb 0.31 -4.84 -0.13 0.00 -0.64 0.00 0.00 41.12 35.83 1k9m n ASP 16 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1k9m s ILE 18 N -1.21 3.58 0.23 0.00 1.01 0.95 -1.19 121.20 124.58 1k9m s ILE 18 Ca 0.11 0.48 -0.13 0.00 0.00 0.00 0.00 60.65 61.11 1k9m s ILE 18 Cb -0.10 -4.10 0.31 0.00 0.01 0.00 0.00 42.46 38.58 1k9m s ILE 18 CO 0.05 -0.92 1.45 0.80 0.00 0.00 0.00 174.94 176.33 1k9m n MET 19 N 8.78 -0.17 -0.04 2.79 0.00 -0.59 -0.69 117.12 127.20 1k9m n MET 19 Ca 0.17 1.44 -0.09 0.00 -0.00 0.00 0.00 57.70 59.23 1k9m n MET 19 Cb 0.50 -2.15 -0.03 0.00 0.00 0.00 0.00 33.22 31.54 1k9m n MET 19 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1k9m h GLY 20 N 0.00 0.23 1.82 -5.12 0.00 -1.90 0.21 103.07 98.31 1k9m h GLY 20 Ca 0.37 -0.02 -0.05 0.00 0.00 0.00 0.00 47.33 47.63 1k9m h GLY 20 CO -0.94 0.01 -0.16 3.21 0.00 0.00 0.00 176.54 178.65 1k9m h ARG 21 N 0.13 0.22 0.08 4.80 3.08 -1.29 0.07 114.38 121.47 1k9m h ARG 21 Ca 0.09 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1k9m h ARG 21 Cb 0.08 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1k9m h ARG 21 CO -0.11 0.39 -0.04 0.28 -1.07 0.00 0.00 179.97 179.42 1k9m h VAL 22 N 0.21 1.20 -0.39 2.04 2.07 -0.72 -3.13 116.25 117.54 1k9m h VAL 22 Ca 0.04 -1.22 0.08 0.00 0.82 0.00 0.00 66.70 66.42 1k9m h VAL 22 Cb 0.42 1.96 -0.08 0.00 -1.52 0.00 0.00 31.29 32.07 1k9m h VAL 22 CO 0.03 0.29 -0.16 0.00 0.02 0.00 0.00 177.57 177.74 1k9m h ALA 23 N 0.14 0.15 -0.90 1.67 0.00 -0.34 0.31 119.26 120.30 1k9m h ALA 23 Ca -0.01 0.14 0.17 0.00 0.00 0.00 0.00 54.91 55.22 1k9m h ALA 23 Cb 0.55 0.41 -0.10 0.00 0.00 0.00 0.00 17.79 18.65 1k9m h ALA 23 CO 0.02 -0.53 0.47 1.03 0.00 0.00 0.00 179.25 180.24 1k9m h SER 24 N -0.09 0.55 0.45 0.00 0.87 -1.04 0.51 113.55 114.81 1k9m h SER 24 Ca 0.19 0.11 -0.22 0.00 -1.23 0.00 0.00 61.79 60.63 1k9m h SER 24 Cb 0.38 0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1k9m h SER 24 CO -0.45 0.19 -0.96 1.56 -0.53 0.00 0.00 176.83 176.64 1k9m h GLN 25 N 0.61 0.32 0.00 2.24 4.20 -1.16 -2.69 115.11 118.64 1k9m h GLN 25 Ca 0.51 -0.37 -0.07 0.00 0.06 0.00 0.00 58.65 58.78 1k9m h GLN 25 Cb 0.80 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.68 1k9m h GLN 25 CO -0.40 1.07 -0.35 0.28 -0.67 0.00 0.00 178.83 178.76 1k9m h VAL 26 N 0.17 0.93 0.27 -0.54 2.07 -0.07 -1.56 116.25 117.52 1k9m h VAL 26 Ca -0.08 -1.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.08 1k9m h VAL 26 Cb 1.61 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 33.19 1k9m h VAL 26 CO 0.16 0.34 -0.13 0.00 0.02 0.00 0.00 177.57 177.96 1k9m h ALA 27 N 1.65 -0.37 -0.67 1.67 0.00 -0.90 -1.69 119.26 118.95 1k9m h ALA 27 Ca -0.00 -0.20 0.14 0.00 0.00 0.00 0.00 54.91 54.85 1k9m h ALA 27 Cb 0.78 0.14 -0.10 0.00 0.00 0.00 0.00 17.79 18.61 1k9m h ALA 27 CO 0.05 -0.46 0.15 1.49 0.00 0.00 0.00 179.25 180.47 1k9m h GLU 28 N -0.86 0.25 -0.34 0.00 4.57 -1.30 -1.14 114.58 115.77 1k9m h GLU 28 Ca -0.04 -0.02 -0.15 0.00 -1.18 0.00 0.00 59.36 57.97 1k9m h GLU 28 Cb 0.51 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.04 1k9m h GLU 28 CO 0.06 0.17 -0.39 1.96 -1.18 0.00 0.00 179.01 179.63 1k9m h GLN 29 N 0.26 0.86 -0.12 1.92 4.20 -1.32 -2.73 115.11 118.17 1k9m h GLN 29 Ca 0.37 -0.47 -0.05 0.00 0.06 0.00 0.00 58.65 58.55 1k9m h GLN 29 Cb 0.59 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 1k9m h GLN 29 CO -0.47 1.11 -0.17 0.00 -0.67 0.00 0.00 178.83 178.64 1k9m h ALA 30 N 0.73 1.49 0.00 3.87 0.00 -0.57 -0.30 119.26 124.48 1k9m h ALA 30 Ca 0.05 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1k9m h ALA 30 Cb 0.98 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1k9m h ALA 30 CO 0.09 0.36 0.00 1.28 0.00 0.00 0.00 179.25 180.99 1k9m n LEU 31 N -4.25 0.08 -0.90 0.00 4.77 -0.50 -1.33 117.00 114.88 1k9m n LEU 31 Ca -0.01 0.51 0.11 0.00 -0.03 0.00 0.00 56.01 56.60 1k9m n LEU 31 Cb 0.29 -0.50 0.27 0.00 -2.33 0.00 0.00 43.42 41.15 1k9m n LEU 31 CO 0.38 -0.17 0.73 0.47 -1.33 0.00 0.00 177.39 177.47 1k9m n ASP 32 N -1.58 2.70 0.00 -1.43 8.00 -0.19 -4.93 116.55 119.11 1k9m n ASP 32 Ca 0.05 -1.88 0.00 0.00 0.71 0.00 0.00 54.79 53.67 1k9m n ASP 32 Cb 0.25 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 1k9m n ASP 32 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k9m n GLY 33 N 1.34 0.87 3.79 0.44 0.00 -0.44 -5.07 105.19 106.12 1k9m n GLY 33 Ca 0.18 -0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1k9m n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k9m s GLU 34 N -0.73 4.38 -0.30 1.61 0.41 -0.78 -5.00 118.70 118.28 1k9m s GLU 34 Ca 0.00 0.95 -0.19 0.00 -0.41 0.00 0.00 54.97 55.32 1k9m s GLU 34 Cb 0.00 -3.24 -0.01 0.00 -1.78 0.00 0.00 34.13 29.10 1k9m s GLU 34 CO 0.00 0.60 0.56 0.99 -0.49 0.00 0.00 175.26 176.92 1k9m s THR 35 N -1.14 5.00 0.08 3.63 2.01 -1.26 -4.18 115.64 119.79 1k9m s THR 35 Ca 0.33 0.75 0.09 0.00 0.31 0.00 0.00 61.69 63.17 1k9m s THR 35 Cb -0.21 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.34 1k9m s THR 35 CO 0.23 -0.07 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.19 1k9m s VAL 36 N 2.45 2.63 -0.07 3.82 1.01 -0.63 -0.19 120.40 129.42 1k9m s VAL 36 Ca 0.22 -1.43 0.00 0.00 0.00 0.00 0.00 61.98 60.77 1k9m s VAL 36 Cb -0.15 -2.15 0.02 0.00 0.00 0.00 0.00 36.38 34.10 1k9m s VAL 36 CO 0.11 0.21 -0.05 0.00 0.00 0.00 0.00 175.10 175.37 1k9m s ALA 37 N -1.01 0.91 -0.21 5.51 0.00 -0.82 -2.03 121.76 124.11 1k9m s ALA 37 Ca 0.15 -0.24 -0.11 0.00 0.00 0.00 0.00 51.96 51.76 1k9m s ALA 37 Cb -0.10 -0.65 -0.05 0.00 0.00 0.00 0.00 23.12 22.32 1k9m s ALA 37 CO 0.07 -0.22 0.19 0.08 0.00 0.00 0.00 175.76 175.87 1k9m s VAL 38 N 1.38 5.36 -0.01 0.00 1.01 -0.26 -0.47 120.40 127.41 1k9m s VAL 38 Ca -0.03 0.29 0.02 0.00 0.00 0.00 0.00 61.98 62.26 1k9m s VAL 38 Cb -0.13 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 1k9m s VAL 38 CO -0.03 0.38 -0.05 -0.69 0.00 0.00 0.00 175.10 174.71 1k9m s VAL 39 N 0.72 3.79 -0.96 2.92 1.01 0.18 -0.09 120.40 127.96 1k9m s VAL 39 Ca 0.10 -0.70 -0.03 0.00 0.00 0.00 0.00 61.98 61.35 1k9m s VAL 39 Cb -0.13 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.61 1k9m s VAL 39 CO 0.02 0.41 0.82 0.59 0.00 0.00 0.00 175.10 176.95 1k9m n ASN 40 N 1.58 -3.69 -0.36 3.32 3.02 0.12 -0.52 115.26 118.74 1k9m n ASN 40 Ca -0.15 -0.44 0.07 0.00 -0.03 0.00 0.00 54.58 54.03 1k9m n ASN 40 Cb 0.53 -3.95 0.24 0.00 -0.61 0.00 0.00 39.78 35.99 1k9m n ASN 40 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1k9m h ALA 41 N 0.72 1.51 -0.11 5.41 0.00 -1.61 0.16 119.26 125.34 1k9m h ALA 41 Ca -0.44 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.54 1k9m h ALA 41 Cb 1.27 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1k9m h ALA 41 CO 0.40 0.19 0.14 1.05 0.00 0.00 0.00 179.25 181.03 1k9m h GLU 42 N 0.96 0.00 -0.33 0.00 9.09 -1.86 -0.42 114.58 122.02 1k9m h GLU 42 Ca 0.50 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.91 1k9m h GLU 42 Cb 0.52 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.62 1k9m h GLU 42 CO -0.28 0.00 0.00 0.54 0.05 0.00 0.00 179.01 179.32 1k9m n ARG 43 N -3.75 2.26 -1.29 1.06 1.74 0.57 -1.64 116.66 115.61 1k9m n ARG 43 Ca -0.00 -1.91 -0.30 0.00 -0.77 0.00 0.00 57.85 54.87 1k9m n ARG 43 Cb 0.24 -1.47 0.13 0.00 -1.02 0.00 0.00 32.46 30.34 1k9m n ARG 43 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1k9m s ALA 44 N -1.57 1.66 0.06 7.54 0.00 -0.17 -2.05 121.76 127.23 1k9m s ALA 44 Ca 0.37 -0.14 -0.00 0.00 0.00 0.00 0.00 51.96 52.18 1k9m s ALA 44 Cb 0.21 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 20.13 1k9m s ALA 44 CO 0.30 -2.25 -0.04 0.54 0.00 0.00 0.00 175.76 174.31 1k9m s VAL 45 N -3.00 0.32 -0.02 0.00 0.11 -0.33 -1.43 120.40 116.05 1k9m s VAL 45 Ca 0.63 -1.80 0.00 0.00 -2.93 0.00 0.00 61.98 57.88 1k9m s VAL 45 Cb -0.17 -1.50 0.02 0.00 -1.53 0.00 0.00 36.38 33.20 1k9m s VAL 45 CO 0.56 -0.95 0.01 0.27 -3.33 0.00 0.00 175.10 171.66 1k9m s ILE 46 N -3.75 0.09 0.58 7.04 -4.36 -0.73 -1.55 121.20 118.52 1k9m s ILE 46 Ca 0.07 0.10 -0.15 0.00 -0.26 0.00 0.00 60.65 60.41 1k9m s ILE 46 Cb 0.07 -0.18 -0.05 0.00 1.25 0.00 0.00 42.46 43.55 1k9m s ILE 46 CO -0.09 0.11 1.03 -0.89 0.24 0.00 0.00 174.94 175.34 1k9m s THR 47 N 0.84 4.10 -3.72 8.37 2.01 -1.26 -0.98 115.64 125.00 1k9m s THR 47 Ca -0.08 0.95 0.00 0.00 0.31 0.00 0.00 61.69 62.87 1k9m s THR 47 Cb -0.11 -3.52 0.00 0.00 0.01 0.00 0.00 72.50 68.88 1k9m s THR 47 CO -0.02 -0.63 0.00 0.61 -0.69 0.00 0.00 174.62 173.89 1k9m n GLY 48 N -1.37 0.95 3.54 4.40 0.00 -0.91 -4.89 105.19 106.92 1k9m n GLY 48 Ca 0.08 -2.04 -0.43 0.00 0.00 0.00 0.00 46.02 43.63 1k9m n GLY 48 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1k9m s ARG 49 N -1.09 3.42 0.35 1.61 3.52 -1.26 -3.01 118.95 122.48 1k9m s ARG 49 Ca 0.00 -0.08 0.18 0.00 -0.13 0.00 0.00 55.73 55.70 1k9m s ARG 49 Cb 0.00 -3.99 1.23 0.00 -1.56 0.00 0.00 34.95 30.63 1k9m s ARG 49 CO 0.00 -1.35 1.50 -1.91 -0.81 0.00 0.00 175.30 172.73 1k9m n GLU 50 N 7.29 -0.06 -0.04 5.12 2.13 -1.26 -0.77 120.64 133.04 1k9m n GLU 50 Ca 0.04 1.32 -0.10 0.00 0.66 0.00 0.00 57.16 59.08 1k9m n GLU 50 Cb 0.48 -2.35 -0.03 0.00 0.27 0.00 0.00 31.44 29.81 1k9m n GLU 50 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1k9m h GLU 51 N 0.00 0.23 -0.11 5.31 3.07 -1.99 -0.95 114.58 120.14 1k9m h GLU 51 Ca 0.78 -0.01 -0.13 0.00 -0.50 0.00 0.00 59.36 59.50 1k9m h GLU 51 Cb 2.04 -0.05 0.01 0.00 -0.84 0.00 0.00 28.75 29.91 1k9m h GLU 51 CO -0.75 0.16 -0.44 -0.56 -1.40 0.00 0.00 179.01 176.02 1k9m h GLN 52 N 0.24 0.50 -0.36 2.33 -0.00 -1.37 -2.46 115.11 113.99 1k9m h GLN 52 Ca 0.08 -0.38 0.07 0.00 -0.00 0.00 0.00 58.65 58.42 1k9m h GLN 52 Cb -0.00 0.07 -0.07 0.00 -0.00 0.00 0.00 27.48 27.48 1k9m h GLN 52 CO -0.04 1.01 -0.09 0.82 -0.00 0.00 0.00 178.83 180.53 1k9m h ILE 53 N 0.09 0.64 -0.64 1.86 2.04 -1.31 -0.79 117.51 119.41 1k9m h ILE 53 Ca -0.02 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 1k9m h ILE 53 Cb 1.08 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 1k9m h ILE 53 CO 0.09 0.00 0.33 0.58 0.00 0.00 0.00 178.15 179.15 1k9m h VAL 54 N -0.00 1.20 -0.33 1.67 2.07 -1.16 -2.61 116.25 117.08 1k9m h VAL 54 Ca 0.17 -0.53 0.02 0.00 0.82 0.00 0.00 66.70 67.18 1k9m h VAL 54 Cb 0.26 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1k9m h VAL 54 CO -0.37 0.23 0.18 -0.33 0.02 0.00 0.00 177.57 177.30 1k9m h GLU 55 N 0.89 0.36 0.35 1.57 5.08 -0.68 0.28 114.58 122.44 1k9m h GLU 55 Ca 0.22 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1k9m h GLU 55 Cb 0.06 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 1k9m h GLU 55 CO -0.03 0.24 -0.51 -0.22 -1.00 0.00 0.00 179.01 177.49 1k9m h LYS 56 N 0.37 -0.87 -0.44 2.33 3.64 -0.98 0.31 116.57 120.94 1k9m h LYS 56 Ca 0.14 0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 1k9m h LYS 56 Cb 0.03 0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 1k9m h LYS 56 CO -0.08 -0.58 0.20 1.88 -2.27 0.00 0.00 179.45 178.60 1k9m h TYR 57 N -0.90 0.61 0.00 1.91 -1.99 -1.24 -0.64 116.97 114.71 1k9m h TYR 57 Ca -0.04 -0.02 -0.06 0.00 2.00 0.00 0.00 58.73 60.61 1k9m h TYR 57 Cb 0.82 -0.19 -0.01 0.00 2.00 0.00 0.00 36.73 39.35 1k9m h TYR 57 CO -0.33 0.46 -0.28 0.93 -0.00 0.00 0.00 178.16 178.95 1k9m h GLU 58 N 0.62 0.00 -0.31 4.88 5.08 0.09 -2.57 114.58 122.37 1k9m h GLU 58 Ca 0.15 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.42 1k9m h GLU 58 Cb 0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1k9m h GLU 58 CO -0.02 0.28 -0.17 -0.22 -1.00 0.00 0.00 179.01 177.88 1k9m h LYS 59 N 0.00 0.65 -0.84 2.33 1.63 0.59 -2.71 116.57 118.23 1k9m h LYS 59 Ca -0.00 -0.29 0.09 0.00 -0.85 0.00 0.00 60.65 59.59 1k9m h LYS 59 Cb 0.59 -0.01 -0.07 0.00 -0.60 0.00 0.00 32.23 32.13 1k9m h LYS 59 CO 0.04 0.88 0.49 0.00 -3.45 0.00 0.00 179.45 177.41 1k9m h ARG 60 N 0.41 0.80 -0.31 1.90 3.08 -1.06 0.81 114.38 120.01 1k9m h ARG 60 Ca 0.07 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 1k9m h ARG 60 Cb 0.70 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1k9m h ARG 60 CO 0.05 0.53 0.08 0.28 -1.07 0.00 0.00 179.97 179.84 1k9m h VAL 61 N 0.83 1.22 0.00 2.04 2.07 -1.30 -3.07 116.25 118.03 1k9m h VAL 61 Ca 0.40 -0.72 -0.06 0.00 0.82 0.00 0.00 66.70 67.14 1k9m h VAL 61 Cb 0.34 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1k9m h VAL 61 CO -0.24 0.24 -0.28 0.44 0.02 0.00 0.00 177.57 177.75 1k9m h ASP 62 N 0.34 0.00 -4.00 0.57 3.32 -1.01 -3.45 116.42 112.19 1k9m h ASP 62 Ca 0.10 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.62 1k9m h ASP 62 Cb 0.29 0.00 0.10 0.00 0.22 0.00 0.00 39.33 39.94 1k9m h ASP 62 CO 0.00 0.28 0.58 -0.63 -1.72 0.00 0.00 179.24 177.75 1k9m s ILE 63 N -3.93 2.51 -5.00 0.35 1.01 0.19 -4.94 121.20 111.40 1k9m s ILE 63 Ca -0.01 0.41 0.00 0.00 0.00 0.00 0.00 60.65 61.04 1k9m s ILE 63 Cb 0.12 -3.22 0.00 0.00 0.01 0.00 0.00 42.46 39.37 1k9m s ILE 63 CO 0.66 0.02 0.00 0.61 0.00 0.00 0.00 174.94 176.23 1k9m n GLY 64 N 0.62 -1.56 0.00 6.18 0.00 -1.26 -4.62 105.19 104.55 1k9m n GLY 64 Ca 0.07 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1k9m n GLY 64 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1k9m n ASN 65 N 3.00 0.00 -0.18 1.61 0.23 -1.26 -4.93 115.26 113.72 1k9m n ASN 65 Ca 0.00 0.00 -0.08 0.00 -0.53 0.00 0.00 54.58 53.97 1k9m n ASN 65 Cb 0.00 0.00 0.06 0.00 -2.08 0.00 0.00 39.78 37.76 1k9m n ASN 65 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1k9m h ASP 66 N 0.00 0.97 -0.17 0.53 3.32 -2.05 -2.26 116.42 116.76 1k9m h ASP 66 Ca 0.00 -0.28 -0.07 0.00 0.02 0.00 0.00 57.03 56.71 1k9m h ASP 66 Cb 0.00 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 1k9m h ASP 66 CO 0.00 1.04 -0.09 -1.13 -1.72 0.00 0.00 179.24 177.34 1k9m h ASN 67 N 0.91 0.50 -4.54 6.45 -0.73 -2.05 -3.48 115.58 112.63 1k9m h ASN 67 Ca 0.16 -0.12 0.00 0.00 1.87 0.00 0.00 56.30 58.21 1k9m h ASN 67 Cb 0.56 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 39.01 1k9m h ASN 67 CO 0.03 0.63 0.00 0.61 -0.37 0.00 0.00 177.43 178.34 1k9m n GLY 68 N -0.69 -0.05 2.58 1.57 0.00 -0.85 -4.99 105.19 102.76 1k9m n GLY 68 Ca 0.01 -1.60 -0.15 0.00 0.00 0.00 0.00 46.02 44.28 1k9m n GLY 68 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1k9m s TYR 69 N -2.95 -0.29 -0.47 1.61 5.04 -1.26 -4.76 117.35 114.27 1k9m s TYR 69 Ca 0.00 -1.44 -0.28 0.00 -2.44 0.00 0.00 57.07 52.91 1k9m s TYR 69 Cb 0.00 -0.29 0.00 0.00 0.35 0.00 0.00 41.96 42.02 1k9m s TYR 69 CO 0.00 -1.06 1.53 0.12 -1.34 0.00 0.00 175.55 174.80 1k9m s PHE 70 N 0.47 2.18 -0.10 4.97 5.36 -1.26 -4.77 117.98 124.82 1k9m s PHE 70 Ca 0.31 0.61 0.02 0.00 -0.96 0.00 0.00 56.93 56.91 1k9m s PHE 70 Cb 0.02 -4.28 -0.02 0.00 -0.34 0.00 0.00 43.02 38.40 1k9m s PHE 70 CO -0.12 -2.19 -0.15 -0.47 -1.46 0.00 0.00 175.22 170.83 1k9m s TYR 71 N 6.30 2.74 0.40 10.12 5.04 -1.26 -5.10 117.35 135.58 1k9m s TYR 71 Ca 0.62 -0.57 -0.26 0.00 -2.44 0.00 0.00 57.07 54.42 1k9m s TYR 71 Cb -0.14 -1.76 -0.09 0.00 0.35 0.00 0.00 41.96 40.32 1k9m s TYR 71 CO 0.29 -0.14 1.24 -1.25 -1.34 0.00 0.00 175.55 174.35 1k9m s PRO 72 N 0.06 4.03 -0.14 4.97 0.04 -1.26 -4.89 135.00 137.80 1k9m s PRO 72 Ca -0.06 2.01 0.12 0.00 0.04 0.00 0.00 61.00 63.12 1k9m s PRO 72 Cb -0.15 -2.74 -0.17 0.00 0.04 0.00 0.00 34.50 31.48 1k9m s PRO 72 CO 0.05 -0.39 0.05 1.63 0.04 0.00 0.00 177.00 178.37 1k9m n LYS 73 N 0.15 1.70 -2.42 4.56 5.02 -1.26 -4.56 118.16 121.35 1k9m n LYS 73 Ca 0.04 -0.01 -0.37 0.00 -2.02 0.00 0.00 58.31 55.95 1k9m n LYS 73 Cb 0.45 -1.36 -0.03 0.00 -0.02 0.00 0.00 35.03 34.07 1k9m n LYS 73 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1k9m s ARG 74 N -2.34 4.08 0.66 1.97 1.81 -1.26 -4.27 118.95 119.60 1k9m s ARG 74 Ca -0.07 1.67 0.41 0.00 -1.72 0.00 0.00 55.73 56.02 1k9m s ARG 74 Cb 0.04 -2.59 2.28 0.00 -0.45 0.00 0.00 34.95 34.24 1k9m s ARG 74 CO 0.58 -0.25 2.32 -1.00 -0.68 0.00 0.00 175.30 176.26 1k9m h PRO 75 N 2.52 0.00 0.00 3.54 0.13 -1.93 -1.55 132.00 134.70 1k9m h PRO 75 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1k9m h PRO 75 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1k9m h PRO 75 CO 0.62 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 174.92 1k9m n ASP 76 N -3.17 0.00 -0.16 1.44 -0.08 -1.26 -2.47 116.55 110.85 1k9m n ASP 76 Ca -0.03 0.75 -0.07 0.00 -1.51 0.00 0.00 54.79 53.93 1k9m n ASP 76 Cb 0.10 -0.25 0.01 0.00 2.34 0.00 0.00 41.12 43.33 1k9m n ASP 76 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1k9m h GLY 77 N 0.00 0.67 -0.94 0.27 0.00 -1.85 -2.83 103.07 98.38 1k9m h GLY 77 Ca 0.00 -0.26 0.15 0.00 0.00 0.00 0.00 47.33 47.22 1k9m h GLY 77 CO 0.00 0.26 -0.38 -2.22 0.00 0.00 0.00 176.54 174.19 1k9m h ILE 78 N 0.63 0.02 -0.63 2.60 1.08 -1.33 0.82 117.51 120.69 1k9m h ILE 78 Ca 0.17 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.57 1k9m h ILE 78 Cb -0.04 0.02 -0.03 0.00 -3.07 0.00 0.00 36.82 33.70 1k9m h ILE 78 CO -0.03 0.00 0.11 0.15 -0.69 0.00 0.00 178.15 177.69 1k9m h PHE 79 N -0.02 1.07 -0.26 1.37 -0.00 -1.32 -0.70 116.94 117.09 1k9m h PHE 79 Ca 0.34 -0.13 -0.15 0.00 -0.00 0.00 0.00 57.97 58.02 1k9m h PHE 79 Cb 0.60 -0.30 -0.01 0.00 -0.00 0.00 0.00 35.95 36.24 1k9m h PHE 79 CO -0.85 0.90 -0.45 -0.22 -0.00 0.00 0.00 178.31 177.69 1k9m h LYS 80 N 0.96 0.66 -0.39 1.11 3.64 0.14 -2.02 116.57 120.67 1k9m h LYS 80 Ca 0.20 -0.37 -0.07 0.00 -1.27 0.00 0.00 60.65 59.14 1k9m h LYS 80 Cb 0.40 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 1k9m h LYS 80 CO 0.01 0.98 -0.05 -0.09 -2.27 0.00 0.00 179.45 178.03 1k9m h ARG 81 N 0.53 0.64 -0.82 1.90 9.65 0.75 -0.71 114.38 126.33 1k9m h ARG 81 Ca 0.03 -0.17 -0.02 0.00 -1.10 0.00 0.00 59.98 58.72 1k9m h ARG 81 Cb 0.99 -0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 29.46 1k9m h ARG 81 CO 0.09 0.70 0.42 1.15 2.80 0.00 0.00 179.97 185.13 1k9m h THR 82 N 0.60 1.24 -0.27 0.20 2.02 -0.72 -2.07 112.91 113.90 1k9m h THR 82 Ca 0.12 -0.64 -0.12 0.00 0.77 0.00 0.00 66.41 66.54 1k9m h THR 82 Cb 0.45 0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 67.03 1k9m h THR 82 CO 0.02 0.28 -0.28 0.40 0.37 0.00 0.00 175.52 176.32 1k9m h ILE 83 N 1.15 1.31 -0.82 3.11 2.04 -0.64 -2.79 117.51 120.87 1k9m h ILE 83 Ca 0.28 -1.45 0.17 0.00 1.00 0.00 0.00 64.86 64.86 1k9m h ILE 83 Cb 0.06 1.61 -0.06 0.00 -0.74 0.00 0.00 36.82 37.70 1k9m h ILE 83 CO -0.04 0.46 0.54 -0.09 0.00 0.00 0.00 178.15 179.02 1k9m h ARG 84 N 0.41 0.43 0.00 2.37 2.43 -0.66 0.23 114.38 119.58 1k9m h ARG 84 Ca 0.04 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1k9m h ARG 84 Cb 0.85 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 1k9m h ARG 84 CO 0.07 0.28 0.00 0.78 -1.51 0.00 0.00 179.97 179.59 1k9m h GLY 85 N 0.44 0.00 -2.00 2.80 0.00 -1.10 -1.79 103.07 101.42 1k9m h GLY 85 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.74 1k9m h GLY 85 CO -0.15 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.42 1k9m n MET 86 N -2.46 2.47 -4.44 4.80 2.81 0.81 -4.94 117.12 116.17 1k9m n MET 86 Ca -0.00 -2.22 -0.23 0.00 -1.81 0.00 0.00 57.70 53.44 1k9m n MET 86 Cb 0.13 -1.43 -0.13 0.00 -0.71 0.00 0.00 33.22 31.07 1k9m n MET 86 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1k9m s LEU 87 N -1.16 2.21 -1.51 4.03 1.43 -0.68 -4.91 118.68 118.09 1k9m s LEU 87 Ca 0.35 -0.54 -0.12 0.00 -1.03 0.00 0.00 54.13 52.78 1k9m s LEU 87 Cb 0.19 -0.80 -0.00 0.00 0.03 0.00 0.00 46.19 45.61 1k9m s LEU 87 CO 0.26 0.08 2.51 -0.81 0.23 0.00 0.00 176.35 178.62 1k9m n PRO 88 N 1.65 3.30 0.00 1.29 -0.04 -1.26 -4.76 135.00 135.18 1k9m n PRO 88 Ca -0.18 -2.53 0.00 0.00 -0.04 0.00 0.00 63.50 60.75 1k9m n PRO 88 Cb 0.54 -3.05 0.00 0.00 -0.04 0.00 0.00 33.50 30.95 1k9m n PRO 88 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1k9m n HIS 89 N 4.81 0.00 0.97 0.54 1.44 -1.26 -1.59 115.22 120.13 1k9m n HIS 89 Ca 0.62 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 56.43 1k9m n HIS 89 Cb 0.32 -0.33 -0.08 0.00 0.12 0.00 0.00 29.99 30.02 1k9m n HIS 89 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1k9m n LYS 90 N -1.32 0.54 -3.17 -1.40 5.02 -1.26 -3.83 118.16 112.75 1k9m n LYS 90 Ca 0.00 -0.32 -0.28 0.00 -2.02 0.00 0.00 58.31 55.70 1k9m n LYS 90 Cb 0.06 -1.47 -0.02 0.00 -0.02 0.00 0.00 35.03 33.58 1k9m n LYS 90 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1k9m s LYS 91 N -2.77 3.60 0.11 1.97 1.02 -0.62 -4.93 119.74 118.12 1k9m s LYS 91 Ca 0.11 0.02 -0.25 0.00 0.02 0.00 0.00 55.97 55.87 1k9m s LYS 91 Cb 0.16 -2.57 -0.08 0.00 -0.52 0.00 0.00 37.83 34.82 1k9m s LYS 91 CO 0.75 0.10 1.67 0.37 -0.92 0.00 0.00 175.35 177.32 1k9m h GLN 92 N 1.20 -0.31 -0.08 1.68 4.15 -1.91 -0.27 115.11 119.58 1k9m h GLN 92 Ca -0.48 0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.00 1k9m h GLN 92 Cb 1.20 0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.92 1k9m h GLN 92 CO 0.64 -0.21 -0.14 -0.09 -1.93 0.00 0.00 178.83 177.11 1k9m h ARG 93 N -0.32 -0.18 -0.20 1.69 2.43 -1.95 -0.84 114.38 115.01 1k9m h ARG 93 Ca 0.04 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.25 1k9m h ARG 93 Cb 0.37 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.93 1k9m h ARG 93 CO -0.13 -0.12 -0.00 0.78 -1.51 0.00 0.00 179.97 178.98 1k9m h GLY 94 N -0.19 0.19 1.83 2.80 0.00 -1.57 -0.94 103.07 105.19 1k9m h GLY 94 Ca 0.07 0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 1k9m h GLY 94 CO -0.19 -0.04 -0.05 -0.09 0.00 0.00 0.00 176.54 176.17 1k9m h ARG 95 N 0.06 0.22 0.15 4.80 2.43 -0.84 0.08 114.38 121.29 1k9m h ARG 95 Ca 0.09 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1k9m h ARG 95 Cb 0.12 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1k9m h ARG 95 CO -0.16 0.29 -0.07 0.93 -1.51 0.00 0.00 179.97 179.44 1k9m h GLU 96 N 0.22 -0.20 0.14 0.20 5.08 -0.16 -1.28 114.58 118.58 1k9m h GLU 96 Ca 0.05 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1k9m h GLU 96 Cb 0.23 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 1k9m h GLU 96 CO 0.01 0.02 -0.09 0.00 -1.00 0.00 0.00 179.01 177.95 1k9m h ALA 97 N 0.42 -0.22 -0.89 3.43 0.00 -0.73 -2.16 119.26 119.13 1k9m h ALA 97 Ca -0.02 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 54.98 1k9m h ALA 97 Cb 0.31 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.13 1k9m h ALA 97 CO 0.03 -0.63 0.50 0.35 0.00 0.00 0.00 179.25 179.51 1k9m h PHE 98 N -0.23 0.90 0.00 0.00 3.57 -0.98 0.76 116.94 120.96 1k9m h PHE 98 Ca -0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1k9m h PHE 98 Cb 0.20 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.67 1k9m h PHE 98 CO -0.09 0.30 0.00 0.39 -2.23 0.00 0.00 178.31 176.68 1k9m n GLU 99 N -4.77 0.10 -1.10 1.11 1.02 -0.49 -2.08 120.64 114.43 1k9m n GLU 99 Ca 0.17 0.22 -0.13 0.00 -0.02 0.00 0.00 57.16 57.40 1k9m n GLU 99 Cb 0.38 -1.65 0.26 0.00 -0.02 0.00 0.00 31.44 30.41 1k9m n GLU 99 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1k9m n SER 100 N -1.82 4.46 -3.84 1.62 3.41 0.25 -4.85 113.62 112.85 1k9m n SER 100 Ca 0.05 -3.36 -0.19 0.00 -0.26 0.00 0.00 58.87 55.11 1k9m n SER 100 Cb 0.28 -0.78 -0.16 0.00 -0.26 0.00 0.00 64.21 63.28 1k9m n SER 100 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1k9m s VAL 101 N -3.09 0.34 -0.01 -3.33 1.01 -0.88 -1.61 120.40 112.83 1k9m s VAL 101 Ca 0.56 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.56 1k9m s VAL 101 Cb 0.45 -0.42 0.00 0.00 0.00 0.00 0.00 36.38 36.42 1k9m s VAL 101 CO 0.13 0.19 -0.05 -0.13 0.00 0.00 0.00 175.10 175.24 1k9m s ARG 102 N 1.06 0.51 0.00 2.72 0.52 -0.86 -4.98 118.95 117.92 1k9m s ARG 102 Ca -0.09 -0.15 0.01 0.00 -0.52 0.00 0.00 55.73 54.98 1k9m s ARG 102 Cb -0.14 -0.51 -0.04 0.00 0.52 0.00 0.00 34.95 34.78 1k9m s ARG 102 CO -0.01 0.06 0.03 0.08 0.02 0.00 0.00 175.30 175.47 1k9m s VAL 103 N 0.17 4.34 0.09 3.52 1.01 -1.26 -1.10 120.40 127.17 1k9m s VAL 103 Ca -0.02 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 61.44 1k9m s VAL 103 Cb -0.06 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 1k9m s VAL 103 CO -0.00 0.35 -0.11 -0.31 0.00 0.00 0.00 175.10 175.03 1k9m s TYR 104 N -1.14 1.08 -0.20 5.22 1.51 0.87 -4.92 117.35 119.78 1k9m s TYR 104 Ca 0.21 -0.59 -0.21 0.00 -1.01 0.00 0.00 57.07 55.46 1k9m s TYR 104 Cb -0.12 -0.59 -0.02 0.00 -0.11 0.00 0.00 41.96 41.12 1k9m s TYR 104 CO 0.12 0.01 0.66 -0.51 -1.11 0.00 0.00 175.55 174.73 1k9m s LEU 105 N -2.22 4.14 0.00 -1.29 1.43 -1.26 -1.88 118.68 117.60 1k9m s LEU 105 Ca 0.03 0.87 0.00 0.00 -1.03 0.00 0.00 54.13 54.00 1k9m s LEU 105 Cb -0.05 -2.94 0.00 0.00 0.03 0.00 0.00 46.19 43.23 1k9m s LEU 105 CO 0.01 -0.31 0.00 0.61 0.23 0.00 0.00 176.35 176.89 1k9m n GLY 106 N 3.78 -0.19 2.77 -3.19 0.00 -1.26 -4.68 105.19 102.42 1k9m n GLY 106 Ca -0.00 -1.02 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 1k9m n GLY 106 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1k9m s ASN 107 N -4.00 3.66 0.00 1.61 3.04 -1.26 0.16 114.94 118.15 1k9m s ASN 107 Ca 0.00 -1.31 0.18 0.00 0.04 0.00 0.00 52.86 51.76 1k9m s ASN 107 Cb 0.00 -0.84 1.04 0.00 -1.54 0.00 0.00 41.25 39.91 1k9m s ASN 107 CO 0.00 -0.35 1.67 -0.81 -3.04 0.00 0.00 177.10 174.57 1k9m n PRO 108 N 4.88 1.04 -3.00 0.43 -0.04 -1.26 -4.84 135.00 132.20 1k9m n PRO 108 Ca -0.06 -0.06 -0.18 0.00 -0.04 0.00 0.00 63.50 63.16 1k9m n PRO 108 Cb 0.44 -1.28 0.03 0.00 -0.04 0.00 0.00 33.50 32.65 1k9m n PRO 108 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1k9m s TYR 109 N -1.99 2.33 -0.22 0.54 1.51 -1.26 -5.04 117.35 113.22 1k9m s TYR 109 Ca 0.27 -0.50 -0.20 0.00 -1.01 0.00 0.00 57.07 55.63 1k9m s TYR 109 Cb 0.12 -2.34 -0.17 0.00 -0.11 0.00 0.00 41.96 39.46 1k9m s TYR 109 CO 0.21 -0.69 0.11 -0.25 -1.11 0.00 0.00 175.55 173.81 1k9m n ASP 110 N -2.00 1.87 -4.71 2.29 8.00 -1.26 -4.90 116.55 115.84 1k9m n ASP 110 Ca 0.11 0.41 -0.34 0.00 0.71 0.00 0.00 54.79 55.68 1k9m n ASP 110 Cb 0.60 -0.94 0.11 0.00 -0.02 0.00 0.00 41.12 40.87 1k9m n ASP 110 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1k9m s GLU 111 N -2.39 1.92 -0.15 -1.24 2.02 -1.26 -4.97 118.70 112.64 1k9m s GLU 111 Ca -0.30 1.75 -0.13 0.00 0.02 0.00 0.00 54.97 56.31 1k9m s GLU 111 Cb 0.07 -1.81 -0.05 0.00 0.10 0.00 0.00 34.13 32.45 1k9m s GLU 111 CO 0.56 -2.00 0.29 -0.51 0.02 0.00 0.00 175.26 173.62 1k9m s ASP 112 N -2.10 6.45 1.17 -0.19 1.11 -1.26 -5.03 116.67 116.82 1k9m s ASP 112 Ca 0.74 0.53 -0.13 0.00 0.18 0.00 0.00 52.55 53.87 1k9m s ASP 112 Cb -0.29 -2.18 0.29 0.00 1.07 0.00 0.00 42.92 41.81 1k9m s ASP 112 CO 0.48 0.13 1.01 0.61 1.18 0.00 0.00 175.17 178.58 1k9m n GLY 113 N 3.21 -1.98 3.98 0.21 0.00 -1.26 -5.02 105.19 104.34 1k9m n GLY 113 Ca -0.13 -1.16 -0.20 0.00 0.00 0.00 0.00 46.02 44.53 1k9m n GLY 113 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1k9m s GLU 114 N -4.39 3.19 -0.19 1.61 -1.05 0.37 -4.59 118.70 113.66 1k9m s GLU 114 Ca 0.69 -0.84 -0.06 0.00 -0.15 0.00 0.00 54.97 54.60 1k9m s GLU 114 Cb -0.25 -2.79 -0.03 0.00 -0.44 0.00 0.00 34.13 30.62 1k9m s GLU 114 CO 0.65 0.09 0.02 0.08 0.95 0.00 0.00 175.26 177.05 1k9m s VAL 115 N -2.20 4.28 0.41 1.83 1.01 -1.26 -0.89 120.40 123.57 1k9m s VAL 115 Ca 0.43 -0.21 -0.23 0.00 0.00 0.00 0.00 61.98 61.97 1k9m s VAL 115 Cb -0.09 -2.93 -0.09 0.00 0.00 0.00 0.00 36.38 33.27 1k9m s VAL 115 CO 0.32 0.44 1.03 -0.76 0.00 0.00 0.00 175.10 176.13 1k9m s LEU 116 N 0.70 4.08 0.31 3.92 1.43 -1.26 -4.98 118.68 122.87 1k9m s LEU 116 Ca 0.01 1.97 -0.29 0.00 -1.03 0.00 0.00 54.13 54.79 1k9m s LEU 116 Cb -0.14 -4.28 -0.11 0.00 0.03 0.00 0.00 46.19 41.70 1k9m s LEU 116 CO 0.02 -0.50 1.43 -1.81 0.23 0.00 0.00 176.35 175.72 1k9m s ASP 117 N -1.71 6.57 -1.24 2.29 1.01 -1.26 -3.23 116.67 119.11 1k9m s ASP 117 Ca 0.59 2.81 0.00 0.00 0.71 0.00 0.00 52.55 56.66 1k9m s ASP 117 Cb -0.19 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.09 1k9m s ASP 117 CO 0.24 -0.72 0.00 0.61 0.21 0.00 0.00 175.17 175.51 1k9m n GLY 118 N 1.35 -0.04 0.00 0.21 0.00 -1.26 -4.86 105.19 100.60 1k9m n GLY 118 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1k9m n GLY 118 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1k9m n THR 119 N -3.86 0.00 -2.64 2.61 -2.24 -1.20 -4.97 114.28 101.99 1k9m n THR 119 Ca -0.17 -0.28 -0.41 0.00 -2.27 0.00 0.00 64.05 60.93 1k9m n THR 119 Cb 0.61 0.79 -0.04 0.00 -2.10 0.00 0.00 70.33 69.59 1k9m n THR 119 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1k9m s SER 120 N -1.22 7.41 -0.22 3.42 0.15 -1.26 -0.03 113.70 121.95 1k9m s SER 120 Ca 0.00 1.94 -0.06 0.00 0.70 0.00 0.00 55.95 58.53 1k9m s SER 120 Cb 0.00 -2.60 -0.03 0.00 -1.71 0.00 0.00 66.02 61.69 1k9m s SER 120 CO 0.00 -0.11 0.02 -0.22 1.20 0.00 0.00 173.24 174.13 1k9m s LEU 121 N -0.29 3.32 -0.46 3.45 2.96 0.03 -4.90 118.68 122.79 1k9m s LEU 121 Ca 0.47 -0.20 -0.29 0.00 -0.22 0.00 0.00 54.13 53.89 1k9m s LEU 121 Cb -0.26 -1.86 0.03 0.00 0.50 0.00 0.00 46.19 44.59 1k9m s LEU 121 CO 0.32 0.03 1.19 -0.62 -1.32 0.00 0.00 176.35 175.95 1k9m s ASP 122 N 1.20 6.58 0.58 3.68 -1.08 -1.26 -4.88 116.67 121.50 1k9m s ASP 122 Ca 0.04 0.54 0.35 0.00 -0.52 0.00 0.00 52.55 52.95 1k9m s ASP 122 Cb -0.14 -2.55 1.78 0.00 -1.46 0.00 0.00 42.92 40.54 1k9m s ASP 122 CO 0.02 -1.28 2.16 0.03 0.52 0.00 0.00 175.17 176.62 1k9m h ARG 123 N 9.47 0.00 0.00 4.34 3.08 -1.96 -2.39 114.38 126.92 1k9m h ARG 123 Ca -0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.81 1k9m h ARG 123 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.12 1k9m h ARG 123 CO 1.12 0.04 0.00 -0.07 -1.07 0.00 0.00 179.97 179.99 1k9m h LEU 124 N 0.00 0.00 -2.90 3.04 3.38 -2.06 -3.20 115.31 113.57 1k9m h LEU 124 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1k9m h LEU 124 Cb 0.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1k9m h LEU 124 CO 0.01 0.00 -0.26 -1.54 0.09 0.00 0.00 178.44 176.74 1k9m n SER 125 N -2.71 1.85 -3.67 -0.43 3.41 -0.93 -5.01 113.62 106.13 1k9m n SER 125 Ca 0.04 -3.18 -0.10 0.00 -0.26 0.00 0.00 58.87 55.37 1k9m n SER 125 Cb 0.43 -0.43 -0.10 0.00 -0.26 0.00 0.00 64.21 63.84 1k9m n SER 125 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1k9m s ASN 126 N -2.76 -0.26 -0.01 4.04 0.01 -1.04 -5.00 114.94 109.92 1k9m s ASN 126 Ca 0.31 0.90 0.03 0.00 -0.71 0.00 0.00 52.86 53.38 1k9m s ASN 126 Cb 0.29 1.06 -0.04 0.00 0.41 0.00 0.00 41.25 42.96 1k9m s ASN 126 CO -0.01 -0.22 0.04 -0.38 -1.51 0.00 0.00 177.10 175.02 1k9m n ILE 127 N 5.00 0.07 -3.21 0.60 5.41 -1.26 -4.68 119.36 121.28 1k9m n ILE 127 Ca -0.13 -0.09 -0.46 0.00 1.00 0.00 0.00 62.75 63.07 1k9m n ILE 127 Cb 0.51 -0.10 -0.03 0.00 -0.71 0.00 0.00 39.64 39.31 1k9m n ILE 127 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1k9m s LYS 128 N -2.15 3.34 0.03 0.38 1.02 -1.26 -4.93 119.74 116.17 1k9m s LYS 128 Ca -0.01 -1.93 -0.28 0.00 0.02 0.00 0.00 55.97 53.76 1k9m s LYS 128 Cb 0.01 -4.43 0.10 0.00 -0.52 0.00 0.00 37.83 32.99 1k9m s LYS 128 CO 0.12 -1.43 1.05 -0.59 -0.92 0.00 0.00 175.35 173.58 1k9m s PHE 129 N 1.44 -0.16 0.02 3.18 -0.12 -1.16 -2.14 117.98 119.04 1k9m s PHE 129 Ca 0.15 -0.03 -0.01 0.00 -0.05 0.00 0.00 56.93 57.00 1k9m s PHE 129 Cb -0.17 0.58 -0.02 0.00 -0.63 0.00 0.00 43.02 42.78 1k9m s PHE 129 CO -0.03 -0.55 -0.01 0.08 -0.05 0.00 0.00 175.22 174.65 1k9m s VAL 130 N -2.93 0.11 0.23 -2.49 1.01 -0.16 -4.82 120.40 111.35 1k9m s VAL 130 Ca 0.11 -0.94 -0.18 0.00 0.00 0.00 0.00 61.98 60.96 1k9m s VAL 130 Cb 0.00 -0.35 -0.08 0.00 0.00 0.00 0.00 36.38 35.96 1k9m s VAL 130 CO -0.03 -0.52 0.71 -0.89 0.00 0.00 0.00 175.10 174.38 1k9m s THR 131 N -1.59 4.61 0.22 3.92 2.01 -1.26 -1.77 115.64 121.77 1k9m s THR 131 Ca -0.15 1.19 -0.08 0.00 0.31 0.00 0.00 61.69 62.97 1k9m s THR 131 Cb -0.09 -3.81 0.17 0.00 0.01 0.00 0.00 72.50 68.78 1k9m s THR 131 CO -0.01 0.16 1.81 -0.07 -0.69 0.00 0.00 174.62 175.81 1k9m h LEU 132 N 3.27 1.07 -0.82 4.42 3.38 -1.32 -1.56 115.31 123.74 1k9m h LEU 132 Ca -0.48 -0.14 0.10 0.00 0.09 0.00 0.00 57.88 57.45 1k9m h LEU 132 Cb 1.19 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 41.59 1k9m h LEU 132 CO 0.65 0.91 0.47 1.23 0.09 0.00 0.00 178.44 181.79 1k9m h GLY 133 N 1.16 1.28 0.94 0.83 0.00 -1.57 -0.46 103.07 105.25 1k9m h GLY 133 Ca 0.28 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 1k9m h GLY 133 CO -0.03 0.13 0.15 0.83 0.00 0.00 0.00 176.54 177.62 1k9m h GLU 134 N 0.79 0.48 -0.33 4.80 5.08 -1.58 -1.78 114.58 122.04 1k9m h GLU 134 Ca 0.40 -0.07 0.06 0.00 -1.00 0.00 0.00 59.36 58.74 1k9m h GLU 134 Cb 0.37 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 1k9m h GLU 134 CO -0.25 0.45 0.01 0.82 -1.00 0.00 0.00 179.01 179.04 1k9m h ILE 135 N 0.40 0.77 -0.72 3.13 2.04 -0.49 -1.41 117.51 121.22 1k9m h ILE 135 Ca 0.11 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 1k9m h ILE 135 Cb 0.13 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 1k9m h ILE 135 CO -0.01 0.02 0.42 0.28 0.00 0.00 0.00 178.15 178.85 1k9m h SER 136 N 0.11 0.88 -0.83 1.72 0.02 -0.96 0.23 113.55 114.72 1k9m h SER 136 Ca 0.16 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1k9m h SER 136 Cb 0.21 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.49 1k9m h SER 136 CO -0.26 0.71 0.50 -0.33 -1.14 0.00 0.00 176.83 176.30 1k9m h GLU 137 N 0.99 1.13 -0.50 3.45 5.08 -0.72 -0.22 114.58 123.79 1k9m h GLU 137 Ca 0.26 -0.10 -0.13 0.00 -1.00 0.00 0.00 59.36 58.39 1k9m h GLU 137 Cb -0.00 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 1k9m h GLU 137 CO -0.05 0.80 -0.18 1.15 -1.00 0.00 0.00 179.01 179.73 1k9m h THR 138 N 1.15 1.27 0.00 1.13 2.02 -0.18 -2.61 112.91 115.68 1k9m h THR 138 Ca 0.30 -1.34 0.00 0.00 0.77 0.00 0.00 66.41 66.14 1k9m h THR 138 Cb -0.04 1.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 1k9m h THR 138 CO -0.06 0.47 0.00 -0.07 0.37 0.00 0.00 175.52 176.23 1k9m h LEU 139 N 0.87 0.00 0.00 2.58 3.38 0.37 -3.45 115.31 119.05 1k9m h LEU 139 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1k9m h LEU 139 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1k9m h LEU 139 CO 0.06 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.20 1k9m n GLY 140 N -0.56 0.79 3.41 0.83 0.00 -0.55 -5.08 105.19 104.03 1k9m n GLY 140 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 1k9m n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k9m n ALA 141 N -0.84 -3.01 -2.59 4.61 0.00 -0.20 -4.94 120.51 113.54 1k9m n ALA 141 Ca 0.00 -0.98 -0.43 0.00 0.00 0.00 0.00 53.44 52.03 1k9m n ALA 141 Cb 0.00 -1.79 -0.08 0.00 0.00 0.00 0.00 19.45 17.57 1k9m n ALA 141 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1k9m s ASN 142 N -2.12 6.17 -0.94 0.00 3.84 -1.26 -4.72 114.94 115.91 1k9m s ASN 142 Ca 0.60 -0.88 -0.26 0.00 0.21 0.00 0.00 52.86 52.54 1k9m s ASN 142 Cb -0.19 -2.21 -0.20 0.00 -0.55 0.00 0.00 41.25 38.10 1k9m s ASN 142 CO 0.65 -0.60 2.20 1.17 -2.79 0.00 0.00 177.10 177.73 1k9m n LYS 143 N 5.50 0.26 -0.73 0.43 4.81 -1.26 -4.64 118.16 122.54 1k9m n LYS 143 Ca -0.09 -1.31 -0.11 0.00 -0.87 0.00 0.00 58.31 55.93 1k9m n LYS 143 Cb 0.46 -3.73 0.14 0.00 0.02 0.00 0.00 35.03 31.92 1k9m n LYS 143 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1k9m n THR 144 N 8.83 2.25 -0.97 3.15 5.66 -1.26 -5.22 114.28 126.72 1k9m n THR 144 Ca 0.43 -1.13 0.00 0.00 -3.05 0.00 0.00 64.05 60.29 1k9m n THR 144 Cb 0.45 -0.61 0.00 0.00 -1.55 0.00 0.00 70.33 68.62 1k9m n THR 144 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35