#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b4m s THR 2 N 0.00 0.06 -0.10 2.03 2.01 -1.26 -4.93 115.64 113.44 1b4m s THR 2 Ca 0.00 -0.46 -0.16 0.00 0.31 0.00 0.00 61.69 61.38 1b4m s THR 2 Cb 0.00 -0.72 -0.19 0.00 0.01 0.00 0.00 72.50 71.61 1b4m s THR 2 CO 0.00 -0.25 1.40 2.29 -0.69 0.00 0.00 174.62 177.36 1b4m n LYS 3 N 1.09 0.22 -2.82 4.92 0.00 -1.25 -4.41 118.16 115.91 1b4m n LYS 3 Ca -0.21 -0.87 -0.08 0.00 -0.00 0.00 0.00 58.31 57.15 1b4m n LYS 3 Cb 0.57 -2.32 0.01 0.00 -0.00 0.00 0.00 35.03 33.29 1b4m n LYS 3 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1b4m n ASP 4 N 6.96 -2.95 -0.87 -5.58 8.00 -1.26 -4.87 116.55 115.99 1b4m n ASP 4 Ca 0.27 -2.99 0.07 0.00 0.71 0.00 0.00 54.79 52.86 1b4m n ASP 4 Cb 0.23 1.52 0.21 0.00 -0.02 0.00 0.00 41.12 43.06 1b4m n ASP 4 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1b4m n GLN 5 N 2.49 2.97 0.00 -1.24 1.13 -1.26 -5.03 117.38 116.44 1b4m n GLN 5 Ca 0.16 -2.35 0.00 0.00 -1.94 0.00 0.00 57.00 52.87 1b4m n GLN 5 Cb 0.57 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 29.45 1b4m n GLN 5 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1b4m n ASN 6 N 0.54 0.00 0.00 1.08 4.13 -1.26 -4.89 115.26 114.86 1b4m n ASN 6 Ca 0.16 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.42 1b4m n ASN 6 Cb 0.58 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.82 1b4m n ASN 6 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1b4m n GLY 7 N 0.00 1.97 3.48 7.41 0.00 -1.26 -5.11 105.19 111.68 1b4m n GLY 7 Ca 0.00 0.08 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 1b4m n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1b4m s THR 8 N 1.00 0.03 -0.29 2.61 -4.23 -1.26 -4.13 115.64 109.37 1b4m s THR 8 Ca 0.00 -0.71 0.03 0.00 -1.18 0.00 0.00 61.69 59.84 1b4m s THR 8 Cb 0.00 -1.49 0.18 0.00 1.34 0.00 0.00 72.50 72.53 1b4m s THR 8 CO 0.00 -0.14 0.52 0.26 -0.54 0.00 0.00 174.62 174.72 1b4m s TRP 9 N -3.86 -1.50 0.41 3.99 0.52 0.21 0.13 118.94 118.85 1b4m s TRP 9 Ca 0.08 0.89 0.31 0.00 0.02 0.00 0.00 56.10 57.39 1b4m s TRP 9 Cb -0.01 0.17 1.67 0.00 -1.15 0.00 0.00 33.47 34.15 1b4m s TRP 9 CO -0.05 -1.01 1.92 0.93 0.02 0.00 0.00 176.95 178.76 1b4m h GLU 10 N 8.06 0.00 -4.30 4.98 5.08 -1.88 0.15 114.58 126.67 1b4m h GLU 10 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1b4m h GLU 10 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1b4m h GLU 10 CO 0.21 0.00 -0.44 -0.12 -1.00 0.00 0.00 179.01 177.66 1b4m n MET 11 N -2.70 -1.74 -0.50 2.33 0.00 -1.26 -4.35 117.12 108.90 1b4m n MET 11 Ca -0.02 1.66 0.43 0.00 -0.00 0.00 0.00 57.70 59.77 1b4m n MET 11 Cb 0.21 -3.77 0.77 0.00 0.00 0.00 0.00 33.22 30.43 1b4m n MET 11 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 175.97 177.02 1b4m h GLU 12 N 1.48 0.00 -1.38 2.12 -0.00 -1.83 -3.43 114.58 111.54 1b4m h GLU 12 Ca 0.00 0.00 0.29 0.00 -0.00 0.00 0.00 59.36 59.65 1b4m h GLU 12 Cb 0.29 0.00 -0.17 0.00 -0.00 0.00 0.00 28.75 28.87 1b4m h GLU 12 CO 0.09 0.00 0.85 -1.12 -0.00 0.00 0.00 179.01 178.83 1b4m s SER 13 N -4.47 -0.09 -0.11 3.06 0.01 -1.18 -5.05 113.70 105.87 1b4m s SER 13 Ca -0.05 -0.03 -0.00 0.00 1.31 0.00 0.00 55.95 57.18 1b4m s SER 13 Cb 0.24 0.12 0.02 0.00 0.21 0.00 0.00 66.02 66.62 1b4m s SER 13 CO 0.83 -0.21 -0.09 0.54 0.41 0.00 0.00 173.24 174.72 1b4m s ASN 14 N -2.39 2.18 -0.02 2.44 4.22 -1.26 -3.42 114.94 116.69 1b4m s ASN 14 Ca 0.11 -0.32 -0.12 0.00 -2.14 0.00 0.00 52.86 50.40 1b4m s ASN 14 Cb 0.01 -0.87 -0.06 0.00 1.28 0.00 0.00 41.25 41.60 1b4m s ASN 14 CO -0.04 -0.09 0.64 -0.08 -2.04 0.00 0.00 177.10 175.48 1b4m h GLU 15 N 8.02 -0.40 -5.87 3.55 4.81 -1.93 -3.45 114.58 119.31 1b4m h GLU 15 Ca -0.31 0.03 -0.68 0.00 -0.13 0.00 0.00 59.36 58.27 1b4m h GLU 15 Cb 1.14 0.09 -0.26 0.00 0.63 0.00 0.00 28.75 30.35 1b4m h GLU 15 CO 0.43 -0.27 -0.79 1.21 -0.73 0.00 0.00 179.01 178.86 1b4m s ASN 16 N -4.04 3.86 0.12 1.04 2.47 -1.26 -5.00 114.94 112.13 1b4m s ASN 16 Ca -0.06 -0.30 0.00 0.00 0.42 0.00 0.00 52.86 52.92 1b4m s ASN 16 Cb 0.01 -1.15 0.00 0.00 -1.45 0.00 0.00 41.25 38.65 1b4m s ASN 16 CO 0.18 0.26 0.00 0.33 -3.72 0.00 0.00 177.10 174.15 1b4m n PHE 17 N 2.90 -0.72 0.07 0.43 7.35 -1.26 -4.78 117.46 121.45 1b4m n PHE 17 Ca -0.18 0.13 -0.16 0.00 -0.76 0.00 0.00 57.45 56.48 1b4m n PHE 17 Cb 0.52 0.24 -0.08 0.00 0.35 0.00 0.00 39.48 40.51 1b4m n PHE 17 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 1b4m h GLU 18 N 0.00 0.48 -0.19 -4.13 4.57 -1.95 -3.22 114.58 110.14 1b4m h GLU 18 Ca 0.00 -0.56 0.06 0.00 -1.18 0.00 0.00 59.36 57.68 1b4m h GLU 18 Cb 0.21 0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 1b4m h GLU 18 CO 0.00 1.20 0.23 0.78 -1.18 0.00 0.00 179.01 180.05 1b4m h GLY 19 N 0.99 0.00 1.38 1.92 0.00 -1.96 0.52 103.07 105.92 1b4m h GLY 19 Ca -0.11 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 46.99 1b4m h GLY 19 CO 0.19 0.00 -0.91 -1.82 0.00 0.00 0.00 176.54 174.00 1b4m h TYR 20 N 0.00 0.83 0.00 5.60 3.20 -1.86 0.22 116.97 124.96 1b4m h TYR 20 Ca 0.09 -0.42 -0.02 0.00 3.14 0.00 0.00 58.73 61.52 1b4m h TYR 20 Cb 0.56 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.72 1b4m h TYR 20 CO 0.00 1.24 -0.08 0.52 -1.64 0.00 0.00 178.16 178.20 1b4m h MET 21 N 0.35 0.00 -0.04 1.82 2.86 -0.96 -3.10 114.93 115.86 1b4m h MET 21 Ca -0.08 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.32 1b4m h MET 21 Cb 1.54 0.00 0.01 0.00 0.06 0.00 0.00 31.60 33.21 1b4m h MET 21 CO 0.17 0.08 -0.93 -0.22 1.06 0.00 0.00 176.91 177.07 1b4m h LYS 22 N 0.00 0.62 -0.52 1.72 3.64 0.17 -0.91 116.57 121.29 1b4m h LYS 22 Ca -0.00 -0.61 -0.04 0.00 -1.27 0.00 0.00 60.65 58.73 1b4m h LYS 22 Cb 0.92 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.88 1b4m h LYS 22 CO 0.01 1.22 0.17 0.00 -2.27 0.00 0.00 179.45 178.58 1b4m h ALA 23 N 0.58 1.31 -0.02 5.00 0.00 -0.49 -1.05 119.26 124.59 1b4m h ALA 23 Ca -0.09 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1b4m h ALA 23 Cb 1.56 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1b4m h ALA 23 CO 0.18 0.50 -0.18 1.47 0.00 0.00 0.00 179.25 181.21 1b4m n LEU 24 N -4.31 1.83 -3.34 0.00 -0.00 -1.23 -4.97 117.00 104.98 1b4m n LEU 24 Ca 0.04 -0.61 -0.30 0.00 -0.00 0.00 0.00 56.01 55.14 1b4m n LEU 24 Cb 0.19 -0.03 0.03 0.00 -0.00 0.00 0.00 43.42 43.61 1b4m n LEU 24 CO 0.39 0.32 -0.18 -0.67 -0.00 0.00 0.00 177.39 177.25 1b4m n ASP 25 N 0.16 -6.15 -0.08 1.45 -0.08 -0.40 -4.95 116.55 106.50 1b4m n ASP 25 Ca 0.14 -0.00 -0.17 0.00 -1.51 0.00 0.00 54.79 53.24 1b4m n ASP 25 Cb 0.43 -2.68 -0.12 0.00 2.34 0.00 0.00 41.12 41.09 1b4m n ASP 25 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 1b4m h ILE 26 N 1.97 1.42 0.00 5.18 2.10 -1.41 -3.46 117.51 123.30 1b4m h ILE 26 Ca -0.42 -2.26 -0.02 0.00 1.08 0.00 0.00 64.86 63.25 1b4m h ILE 26 Cb 1.30 2.88 -0.02 0.00 -1.09 0.00 0.00 36.82 39.89 1b4m h ILE 26 CO 0.23 0.48 -0.04 -0.67 -1.08 0.00 0.00 178.15 177.07 1b4m n ASP 27 N -4.54 -0.13 -2.89 2.19 -0.08 -1.26 -5.00 116.55 104.84 1b4m n ASP 27 Ca -0.19 -0.33 -0.19 0.00 -1.51 0.00 0.00 54.79 52.57 1b4m n ASP 27 Cb 0.56 0.04 -0.04 0.00 2.34 0.00 0.00 41.12 44.02 1b4m n ASP 27 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1b4m n PHE 28 N 0.00 -0.81 -3.94 -0.67 3.72 -1.26 -4.78 117.46 109.72 1b4m n PHE 28 Ca -0.04 0.30 -0.09 0.00 -0.05 0.00 0.00 57.45 57.58 1b4m n PHE 28 Cb 0.25 -0.97 -0.03 0.00 -0.94 0.00 0.00 39.48 37.80 1b4m n PHE 28 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1b4m s ALA 29 N -2.04 -0.46 0.00 4.37 0.00 -1.26 -4.92 121.76 117.45 1b4m s ALA 29 Ca 0.37 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.54 1b4m s ALA 29 Cb -0.22 0.95 0.00 0.00 0.00 0.00 0.00 23.12 23.85 1b4m s ALA 29 CO 0.45 -0.92 0.00 -2.37 0.00 0.00 0.00 175.76 172.92 1b4m n THR 30 N -0.46 0.00 0.41 0.00 5.66 -1.26 -4.89 114.28 113.75 1b4m n THR 30 Ca -0.03 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.10 1b4m n THR 30 Cb 0.61 0.00 0.43 0.00 -1.55 0.00 0.00 70.33 69.82 1b4m n THR 30 CO 0.00 0.00 0.00 0.08 -3.05 0.00 0.00 175.07 172.10 1b4m h ARG 31 N 4.07 0.00 0.00 1.09 -0.00 -1.95 0.90 114.38 118.49 1b4m h ARG 31 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1b4m h ARG 31 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.97 1b4m h ARG 31 CO 0.00 0.00 -1.00 1.63 -0.00 0.00 0.00 179.97 180.60 1b4m n LYS 32 N -2.59 1.18 -0.01 0.08 4.76 -1.26 -4.32 118.16 116.00 1b4m n LYS 32 Ca 0.03 -0.03 -0.04 0.00 -2.87 0.00 0.00 58.31 55.40 1b4m n LYS 32 Cb 0.37 -1.33 -0.01 0.00 -1.84 0.00 0.00 35.03 32.22 1b4m n LYS 32 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1b4m n ILE 33 N -1.54 0.63 0.39 -0.18 -0.00 -1.04 -4.70 119.36 112.92 1b4m n ILE 33 Ca 0.02 0.07 0.06 0.00 -0.00 0.00 0.00 62.75 62.90 1b4m n ILE 33 Cb 0.30 -1.63 0.26 0.00 -0.00 0.00 0.00 39.64 38.58 1b4m n ILE 33 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1b4m n ALA 34 N -3.39 1.52 0.00 -1.39 0.00 0.31 -4.16 120.51 113.39 1b4m n ALA 34 Ca -0.08 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1b4m n ALA 34 Cb 0.42 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1b4m n ALA 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1b4m n VAL 35 N -1.56 0.00 0.00 0.00 0.31 -1.24 -4.24 118.33 111.60 1b4m n VAL 35 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1b4m n VAL 35 Cb 0.14 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.07 1b4m n VAL 35 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1b4m n ARG 36 N -3.04 0.00 -3.14 5.55 3.00 -1.26 -5.08 116.66 112.70 1b4m n ARG 36 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.85 57.64 1b4m n ARG 36 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.41 1b4m n ARG 36 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 1b4m n LEU 37 N 0.00 -0.12 0.00 6.15 -0.00 -1.26 -4.90 117.00 116.86 1b4m n LEU 37 Ca 0.00 -4.56 0.00 0.00 -0.00 0.00 0.00 56.01 51.45 1b4m n LEU 37 Cb 0.00 0.67 0.00 0.00 -0.00 0.00 0.00 43.42 44.09 1b4m n LEU 37 CO 0.00 2.09 0.00 0.41 -0.00 0.00 0.00 177.39 179.89 1b4m n THR 38 N 1.30 0.00 0.00 1.47 -1.04 -1.26 -0.98 114.28 113.77 1b4m n THR 38 Ca 0.20 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.21 1b4m n THR 38 Cb 0.56 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.07 1b4m n THR 38 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1b4m n GLN 39 N -2.00 0.00 -3.73 -2.82 7.27 -1.26 -4.78 117.38 110.06 1b4m n GLN 39 Ca 0.00 0.00 -0.37 0.00 0.07 0.00 0.00 57.00 56.70 1b4m n GLN 39 Cb 0.00 0.00 -0.11 0.00 2.41 0.00 0.00 30.24 32.54 1b4m n GLN 39 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1b4m s THR 40 N 0.00 3.56 0.32 1.69 2.01 -1.26 -4.60 115.64 117.35 1b4m s THR 40 Ca 0.00 -1.81 -0.28 0.00 0.31 0.00 0.00 61.69 59.91 1b4m s THR 40 Cb 0.00 -3.33 -0.09 0.00 0.01 0.00 0.00 72.50 69.09 1b4m s THR 40 CO 0.00 -0.60 1.07 -0.75 -0.69 0.00 0.00 174.62 173.65 1b4m s LYS 41 N 1.24 4.51 0.05 4.92 2.36 0.52 -1.27 119.74 132.07 1b4m s LYS 41 Ca 0.05 1.68 -0.01 0.00 -2.55 0.00 0.00 55.97 55.14 1b4m s LYS 41 Cb -0.23 -2.98 -0.04 0.00 -1.05 0.00 0.00 37.83 33.53 1b4m s LYS 41 CO -0.02 0.13 -0.03 0.42 1.55 0.00 0.00 175.35 177.40 1b4m s ILE 42 N -1.33 0.22 0.01 5.43 1.01 0.55 -0.62 121.20 126.47 1b4m s ILE 42 Ca 0.48 -1.81 0.03 0.00 0.00 0.00 0.00 60.65 59.36 1b4m s ILE 42 Cb -0.28 -1.54 -0.01 0.00 0.01 0.00 0.00 42.46 40.64 1b4m s ILE 42 CO 0.36 -0.98 -0.11 -0.51 0.00 0.00 0.00 174.94 173.70 1b4m s ILE 43 N -3.92 0.83 0.01 2.92 2.07 -1.26 0.13 121.20 121.98 1b4m s ILE 43 Ca 0.08 -0.67 -0.01 0.00 -1.41 0.00 0.00 60.65 58.64 1b4m s ILE 43 Cb 0.08 -0.74 -0.00 0.00 0.13 0.00 0.00 42.46 41.93 1b4m s ILE 43 CO -0.10 0.08 -0.01 0.52 -1.91 0.00 0.00 174.94 173.52 1b4m n VAL 44 N 2.39 0.24 -1.03 4.00 0.31 -1.26 -4.17 118.33 118.81 1b4m n VAL 44 Ca -0.16 0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1b4m n VAL 44 Cb 0.56 -1.22 0.00 0.00 -0.91 0.00 0.00 33.84 32.27 1b4m n VAL 44 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1b4m n GLN 45 N -2.72 -2.90 0.00 5.55 6.02 -1.26 -4.77 117.38 117.31 1b4m n GLN 45 Ca -0.01 2.11 0.00 0.00 -0.01 0.00 0.00 57.00 59.10 1b4m n GLN 45 Cb 0.02 -2.34 0.00 0.00 1.02 0.00 0.00 30.24 28.94 1b4m n GLN 45 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1b4m n ASP 46 N -0.25 1.85 0.00 1.08 -0.08 -1.21 -4.99 116.55 112.96 1b4m n ASP 46 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1b4m n ASP 46 Cb 0.00 0.29 0.00 0.00 2.34 0.00 0.00 41.12 43.75 1b4m n ASP 46 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1b4m n GLY 47 N 1.15 1.60 0.15 0.27 0.00 -1.26 -4.81 105.19 102.29 1b4m n GLY 47 Ca 0.00 -0.25 0.09 0.00 0.00 0.00 0.00 46.02 45.86 1b4m n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b4m n ASP 48 N 0.00 1.20 -4.77 1.61 9.92 -1.26 -4.97 116.55 118.27 1b4m n ASP 48 Ca 0.00 -1.10 -0.32 0.00 -0.53 0.00 0.00 54.79 52.85 1b4m n ASP 48 Cb 0.00 0.83 -0.07 0.00 -0.64 0.00 0.00 41.12 41.24 1b4m n ASP 48 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 1b4m s ASN 49 N -2.56 4.19 -0.30 -2.24 0.01 -1.26 -2.84 114.94 109.94 1b4m s ASN 49 Ca 0.10 -1.57 -0.14 0.00 -0.71 0.00 0.00 52.86 50.54 1b4m s ASN 49 Cb 0.15 0.44 0.18 0.00 0.41 0.00 0.00 41.25 42.42 1b4m s ASN 49 CO 0.67 -0.86 1.03 0.12 -1.51 0.00 0.00 177.10 176.55 1b4m s PHE 50 N -2.85 -0.59 -0.50 2.20 5.36 -1.06 -3.33 117.98 117.21 1b4m s PHE 50 Ca 0.12 0.76 0.04 0.00 -0.96 0.00 0.00 56.93 56.89 1b4m s PHE 50 Cb 0.02 0.26 0.17 0.00 -0.34 0.00 0.00 43.02 43.12 1b4m s PHE 50 CO 0.07 -0.31 0.39 1.63 -1.46 0.00 0.00 175.22 175.54 1b4m n LYS 51 N 5.25 0.71 -1.75 10.12 4.01 -1.26 -3.68 118.16 131.56 1b4m n LYS 51 Ca -0.07 -3.59 -0.37 0.00 -0.51 0.00 0.00 58.31 53.77 1b4m n LYS 51 Cb 0.53 -1.86 0.07 0.00 -0.51 0.00 0.00 35.03 33.26 1b4m n LYS 51 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1b4m s THR 52 N -0.44 2.05 0.12 -0.18 2.01 -0.91 -4.15 115.64 114.14 1b4m s THR 52 Ca 0.31 0.03 -0.08 0.00 0.31 0.00 0.00 61.69 62.26 1b4m s THR 52 Cb 0.02 -3.01 -0.01 0.00 0.01 0.00 0.00 72.50 69.50 1b4m s THR 52 CO -0.19 -0.01 0.20 -1.59 -0.69 0.00 0.00 174.62 172.34 1b4m s LYS 53 N -3.34 0.96 -0.19 4.92 -2.85 0.35 -1.01 119.74 118.58 1b4m s LYS 53 Ca 0.82 -1.11 -0.02 0.00 -1.00 0.00 0.00 55.97 54.65 1b4m s LYS 53 Cb -0.38 0.34 -0.01 0.00 -2.06 0.00 0.00 37.83 35.72 1b4m s LYS 53 CO 0.40 -0.32 -0.08 -0.08 0.10 0.00 0.00 175.35 175.38 1b4m s THR 54 N -3.93 3.20 -0.28 3.79 -1.32 -1.26 0.20 115.64 116.05 1b4m s THR 54 Ca 0.12 -0.57 0.03 0.00 -1.21 0.00 0.00 61.69 60.06 1b4m s THR 54 Cb 0.05 -2.42 0.40 0.00 -1.51 0.00 0.00 72.50 69.01 1b4m s THR 54 CO -0.05 0.46 1.52 0.59 -2.21 0.00 0.00 174.62 174.93 1b4m n ASN 55 N 4.39 3.46 -4.47 8.08 5.03 -0.39 -3.90 115.26 127.46 1b4m n ASN 55 Ca -0.18 -2.91 -0.34 0.00 0.87 0.00 0.00 54.58 52.01 1b4m n ASN 55 Cb 0.51 -0.69 0.11 0.00 -1.02 0.00 0.00 39.78 38.69 1b4m n ASN 55 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1b4m n SER 56 N -0.41 -1.42 -0.05 6.41 7.64 -1.10 -4.72 113.62 119.96 1b4m n SER 56 Ca 0.34 0.44 0.14 0.00 1.01 0.00 0.00 58.87 60.79 1b4m n SER 56 Cb 1.16 -1.25 0.53 0.00 -1.01 0.00 0.00 64.21 63.64 1b4m n SER 56 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1b4m n THR 57 N -3.23 0.00 -0.12 0.44 -1.04 -0.15 -3.55 114.28 106.63 1b4m n THR 57 Ca 0.09 -0.03 -0.16 0.00 -2.04 0.00 0.00 64.05 61.91 1b4m n THR 57 Cb 0.52 -0.13 -0.11 0.00 -1.82 0.00 0.00 70.33 68.79 1b4m n THR 57 CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65 1b4m n PHE 58 N -1.25 0.00 -3.66 -1.42 -1.74 -1.26 -5.03 117.46 103.09 1b4m n PHE 58 Ca 0.10 0.00 -0.15 0.00 -0.56 0.00 0.00 57.45 56.84 1b4m n PHE 58 Cb 0.31 -0.91 -0.08 0.00 1.52 0.00 0.00 39.48 40.32 1b4m n PHE 58 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 1b4m s ARG 59 N -2.47 0.82 -0.43 3.97 3.00 -1.23 -5.06 118.95 117.54 1b4m s ARG 59 Ca -0.30 0.02 0.05 0.00 0.00 0.00 0.00 55.73 55.50 1b4m s ARG 59 Cb 0.08 0.37 0.18 0.00 0.00 0.00 0.00 34.95 35.58 1b4m s ARG 59 CO 0.57 -0.24 0.43 0.09 0.00 0.00 0.00 175.30 176.15 1b4m n ASN 60 N 1.20 -1.10 -2.70 0.23 3.02 -1.25 -2.70 115.26 111.95 1b4m n ASN 60 Ca -0.20 -2.50 -0.05 0.00 -0.03 0.00 0.00 54.58 51.80 1b4m n ASN 60 Cb 0.56 -0.07 0.06 0.00 -0.61 0.00 0.00 39.78 39.73 1b4m n ASN 60 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1b4m n TYR 61 N 2.82 -1.55 0.00 3.10 9.36 -1.26 -5.00 117.16 124.63 1b4m n TYR 61 Ca 0.27 -1.04 0.00 0.00 3.32 0.00 0.00 57.90 60.45 1b4m n TYR 61 Cb 0.50 1.25 0.00 0.00 -0.63 0.00 0.00 39.34 40.46 1b4m n TYR 61 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1b4m n ASP 62 N 1.74 0.00 -4.54 2.98 -0.08 -1.26 -4.94 116.55 110.45 1b4m n ASP 62 Ca 0.05 0.00 -0.38 0.00 -1.51 0.00 0.00 54.79 52.95 1b4m n ASP 62 Cb 0.67 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 44.08 1b4m n ASP 62 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1b4m n LEU 63 N 0.00 2.05 -3.64 -2.67 7.94 -0.18 -4.86 117.00 115.64 1b4m n LEU 63 Ca 0.00 -0.28 -0.29 0.00 -1.11 0.00 0.00 56.01 54.33 1b4m n LEU 63 Cb 0.00 -1.45 -0.13 0.00 0.53 0.00 0.00 43.42 42.37 1b4m n LEU 63 CO 0.00 -1.31 -0.26 -1.81 -1.11 0.00 0.00 177.39 172.90 1b4m s ASP 64 N 11.08 3.40 0.23 1.96 1.11 -1.26 -2.15 116.67 131.05 1b4m s ASP 64 Ca 1.05 -2.60 -0.20 0.00 0.18 0.00 0.00 52.55 50.98 1b4m s ASP 64 Cb -0.41 -0.88 0.07 0.00 1.07 0.00 0.00 42.92 42.77 1b4m s ASP 64 CO 0.32 -0.26 0.99 0.72 1.18 0.00 0.00 175.17 178.12 1b4m s PHE 65 N 0.42 0.10 0.14 4.23 -0.12 -1.24 -5.06 117.98 116.46 1b4m s PHE 65 Ca 0.19 -0.57 0.08 0.00 -0.05 0.00 0.00 56.93 56.58 1b4m s PHE 65 Cb -0.21 0.74 -0.04 0.00 -0.63 0.00 0.00 43.02 42.87 1b4m s PHE 65 CO -0.02 -1.08 -0.09 0.99 -0.05 0.00 0.00 175.22 174.97 1b4m s THR 66 N -2.11 3.29 0.39 -4.49 2.01 -1.26 -2.57 115.64 110.89 1b4m s THR 66 Ca 0.21 -1.46 -0.25 0.00 0.31 0.00 0.00 61.69 60.50 1b4m s THR 66 Cb -0.03 -2.58 -0.09 0.00 0.01 0.00 0.00 72.50 69.81 1b4m s THR 66 CO 0.07 -0.00 1.14 0.54 -0.69 0.00 0.00 174.62 175.68 1b4m s VAL 67 N -1.46 3.29 0.00 3.82 0.11 -1.13 -3.46 120.40 121.57 1b4m s VAL 67 Ca 0.23 1.09 0.00 0.00 -2.93 0.00 0.00 61.98 60.37 1b4m s VAL 67 Cb -0.10 -3.61 0.00 0.00 -1.53 0.00 0.00 36.38 31.14 1b4m s VAL 67 CO 0.14 0.10 0.00 0.61 -3.33 0.00 0.00 175.10 172.63 1b4m n GLY 68 N 0.63 0.12 0.18 6.54 0.00 0.12 -4.78 105.19 107.99 1b4m n GLY 68 Ca 0.04 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.10 1b4m n GLY 68 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1b4m h VAL 69 N 0.00 0.94 -4.53 1.61 2.07 -1.79 -3.48 116.25 111.07 1b4m h VAL 69 Ca 0.00 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 65.87 1b4m h VAL 69 Cb 0.61 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1b4m h VAL 69 CO 0.00 0.41 -0.71 1.21 0.02 0.00 0.00 177.57 178.50 1b4m n GLU 70 N -3.53 -2.52 -1.30 1.57 2.13 -1.26 -4.74 120.64 110.98 1b4m n GLU 70 Ca -0.00 2.15 -0.39 0.00 0.66 0.00 0.00 57.16 59.58 1b4m n GLU 70 Cb 0.54 -4.17 -0.03 0.00 0.27 0.00 0.00 31.44 28.05 1b4m n GLU 70 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1b4m n PHE 71 N 0.50 2.42 -1.24 4.31 7.35 0.20 -4.85 117.46 126.13 1b4m n PHE 71 Ca 0.00 -2.37 -0.08 0.00 -0.76 0.00 0.00 57.45 54.24 1b4m n PHE 71 Cb 0.00 -2.08 -0.06 0.00 0.35 0.00 0.00 39.48 37.70 1b4m n PHE 71 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1b4m n ASP 72 N 6.07 -0.31 -0.37 -2.13 8.00 -1.26 -1.85 116.55 124.70 1b4m n ASP 72 Ca 0.53 -1.91 0.00 0.00 0.71 0.00 0.00 54.79 54.12 1b4m n ASP 72 Cb 0.34 -1.09 0.00 0.00 -0.02 0.00 0.00 41.12 40.35 1b4m n ASP 72 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1b4m n GLU 73 N 6.27 0.00 -2.02 -1.24 1.02 -0.90 -4.87 120.64 118.90 1b4m n GLU 73 Ca 0.21 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.32 1b4m n GLU 73 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.90 1b4m n GLU 73 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1b4m n HIS 74 N -0.74 -1.29 -4.57 -0.32 -0.00 -1.26 -4.79 115.22 102.25 1b4m n HIS 74 Ca 0.00 0.52 -0.26 0.00 0.46 0.00 0.00 57.72 58.44 1b4m n HIS 74 Cb 0.00 -2.48 -0.11 0.00 -0.12 0.00 0.00 29.99 27.28 1b4m n HIS 74 CO 0.00 0.00 0.00 -0.08 0.46 0.00 0.00 176.34 176.72 1b4m s THR 75 N -1.77 1.69 0.00 3.57 -1.32 -1.26 -5.05 115.64 111.50 1b4m s THR 75 Ca 0.08 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.56 1b4m s THR 75 Cb -0.02 -2.91 0.00 0.00 -1.51 0.00 0.00 72.50 68.06 1b4m s THR 75 CO 0.29 0.00 0.00 2.29 -2.21 0.00 0.00 174.62 174.99 1b4m n LYS 76 N -0.88 0.00 0.00 7.08 2.85 -1.26 -4.00 118.16 121.95 1b4m n LYS 76 Ca -0.04 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.22 1b4m n LYS 76 Cb 0.67 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.05 1b4m n LYS 76 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1b4m n GLY 77 N -0.28 1.69 1.15 2.58 0.00 -1.26 -4.88 105.19 104.19 1b4m n GLY 77 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1b4m n GLY 77 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1b4m n LEU 78 N 0.00 0.20 0.00 0.99 7.94 -1.26 -5.06 117.00 119.81 1b4m n LEU 78 Ca 0.00 0.04 0.00 0.00 -1.11 0.00 0.00 56.01 54.94 1b4m n LEU 78 Cb 0.00 -0.05 0.00 0.00 0.53 0.00 0.00 43.42 43.90 1b4m n LEU 78 CO 0.00 -0.56 0.00 -0.67 -1.11 0.00 0.00 177.39 175.05 1b4m n ASP 79 N -2.72 0.00 -1.19 1.96 2.03 -1.26 -4.68 116.55 110.70 1b4m n ASP 79 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1b4m n ASP 79 Cb 0.00 -0.29 0.00 0.00 -0.72 0.00 0.00 41.12 40.11 1b4m n ASP 79 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1b4m n GLY 80 N 2.18 -0.27 0.00 0.27 0.00 -1.26 -4.94 105.19 101.17 1b4m n GLY 80 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1b4m n GLY 80 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1b4m n ARG 81 N -0.55 0.00 -3.07 1.61 3.00 -1.26 -5.03 116.66 111.37 1b4m n ARG 81 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.85 57.89 1b4m n ARG 81 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.61 1b4m n ARG 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1b4m s ASN 82 N 1.51 -0.60 -0.05 6.15 2.20 -1.26 -4.29 114.94 118.61 1b4m s ASN 82 Ca 0.00 -0.02 0.00 0.00 -0.94 0.00 0.00 52.86 51.90 1b4m s ASN 82 Cb 0.00 1.21 0.02 0.00 -2.00 0.00 0.00 41.25 40.49 1b4m s ASN 82 CO 0.00 -0.10 -0.02 -0.69 -2.94 0.00 0.00 177.10 173.35 1b4m s VAL 83 N 2.68 0.38 -0.11 3.54 1.01 -1.26 -4.86 120.40 121.77 1b4m s VAL 83 Ca 0.22 0.01 -0.37 0.00 0.00 0.00 0.00 61.98 61.85 1b4m s VAL 83 Cb -0.02 -0.46 -0.14 0.00 0.00 0.00 0.00 36.38 35.76 1b4m s VAL 83 CO -0.21 0.21 1.74 1.17 0.00 0.00 0.00 175.10 178.01 1b4m n LYS 84 N 4.39 1.69 -3.58 2.72 3.00 -0.82 -2.12 118.16 123.45 1b4m n LYS 84 Ca -0.20 0.62 -0.28 0.00 -0.00 0.00 0.00 58.31 58.45 1b4m n LYS 84 Cb 0.50 -2.38 -0.11 0.00 0.00 0.00 0.00 35.03 33.05 1b4m n LYS 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1b4m s THR 85 N 3.16 1.11 0.16 3.15 2.01 -0.77 0.14 115.64 124.60 1b4m s THR 85 Ca 0.92 -2.89 -0.27 0.00 0.31 0.00 0.00 61.69 59.76 1b4m s THR 85 Cb -0.86 -1.76 -0.08 0.00 0.01 0.00 0.00 72.50 69.82 1b4m s THR 85 CO 0.55 -1.09 0.84 -0.22 -0.69 0.00 0.00 174.62 174.01 1b4m s LEU 86 N -0.11 4.58 -0.01 4.42 2.96 -1.10 0.58 118.68 130.00 1b4m s LEU 86 Ca 0.26 1.71 0.07 0.00 -0.22 0.00 0.00 54.13 55.95 1b4m s LEU 86 Cb -0.07 -3.40 -0.02 0.00 0.50 0.00 0.00 46.19 43.21 1b4m s LEU 86 CO -0.13 0.14 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.14 1b4m s VAL 87 N -0.88 1.71 0.00 1.68 1.01 -1.26 -1.02 120.40 121.64 1b4m s VAL 87 Ca 0.39 -0.94 -0.22 0.00 0.00 0.00 0.00 61.98 61.21 1b4m s VAL 87 Cb -0.23 -1.43 0.04 0.00 0.00 0.00 0.00 36.38 34.76 1b4m s VAL 87 CO 0.28 0.47 0.48 -0.89 0.00 0.00 0.00 175.10 175.44 1b4m s THR 88 N -0.52 0.04 0.05 3.92 2.01 0.03 0.10 115.64 121.27 1b4m s THR 88 Ca 0.08 -0.29 -0.19 0.00 0.31 0.00 0.00 61.69 61.60 1b4m s THR 88 Cb -0.08 -0.87 -0.06 0.00 0.01 0.00 0.00 72.50 71.49 1b4m s THR 88 CO -0.01 -0.16 0.55 0.26 -0.69 0.00 0.00 174.62 174.57 1b4m s TRP 89 N -1.79 3.78 -0.51 4.92 0.52 -1.26 0.24 118.94 124.84 1b4m s TRP 89 Ca -0.09 1.22 0.23 0.00 0.02 0.00 0.00 56.10 57.48 1b4m s TRP 89 Cb -0.02 -2.48 0.13 0.00 -1.15 0.00 0.00 33.47 29.95 1b4m s TRP 89 CO 0.03 0.56 1.12 -1.91 0.02 0.00 0.00 176.95 176.77 1b4m n GLU 90 N 1.89 0.38 0.00 4.98 2.13 0.40 -4.86 120.64 125.55 1b4m n GLU 90 Ca -0.10 0.05 0.00 0.00 0.66 0.00 0.00 57.16 57.77 1b4m n GLU 90 Cb 0.51 -1.68 0.00 0.00 0.27 0.00 0.00 31.44 30.54 1b4m n GLU 90 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1b4m n GLY 91 N 1.31 1.20 3.06 8.31 0.00 -1.26 -4.90 105.19 112.91 1b4m n GLY 91 Ca 0.02 -0.09 -0.05 0.00 0.00 0.00 0.00 46.02 45.91 1b4m n GLY 91 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1b4m s ASN 92 N -0.47 -0.67 0.00 1.61 0.01 -1.26 -3.88 114.94 110.28 1b4m s ASN 92 Ca 0.00 -0.95 0.00 0.00 -0.71 0.00 0.00 52.86 51.20 1b4m s ASN 92 Cb 0.00 1.52 0.00 0.00 0.41 0.00 0.00 41.25 43.18 1b4m s ASN 92 CO 0.00 -0.21 0.00 1.07 -1.51 0.00 0.00 177.10 176.45 1b4m n THR 93 N 4.45 0.00 -3.41 1.60 5.66 -1.26 -4.77 114.28 116.55 1b4m n THR 93 Ca 0.10 0.00 -0.44 0.00 -3.05 0.00 0.00 64.05 60.66 1b4m n THR 93 Cb 0.53 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.25 1b4m n THR 93 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1b4m s LEU 94 N 0.00 6.03 -0.24 1.09 2.96 -1.26 0.15 118.68 127.41 1b4m s LEU 94 Ca 0.00 -1.93 -0.18 0.00 -0.22 0.00 0.00 54.13 51.81 1b4m s LEU 94 Cb 0.00 -2.13 -0.03 0.00 0.50 0.00 0.00 46.19 44.53 1b4m s LEU 94 CO 0.00 -0.77 0.49 -0.69 -1.32 0.00 0.00 176.35 174.07 1b4m s VAL 95 N 1.37 5.10 0.00 1.68 1.01 0.14 -1.44 120.40 128.26 1b4m s VAL 95 Ca 0.05 0.86 0.01 0.00 0.00 0.00 0.00 61.98 62.91 1b4m s VAL 95 Cb -0.27 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.29 1b4m s VAL 95 CO 0.01 0.13 -0.05 0.00 0.00 0.00 0.00 175.10 175.19 1b4m s VAL 97 N -0.22 4.06 -1.09 0.00 1.01 -0.19 -3.78 120.40 120.19 1b4m s VAL 97 Ca 0.01 -1.60 -0.20 0.00 0.00 0.00 0.00 61.98 60.19 1b4m s VAL 97 Cb -0.03 -3.57 0.09 0.00 0.00 0.00 0.00 36.38 32.87 1b4m s VAL 97 CO -0.00 -0.60 1.45 -1.10 0.00 0.00 0.00 175.10 174.85 1b4m s GLN 98 N 1.36 3.75 -0.69 2.72 -1.52 -1.25 -2.72 119.66 121.31 1b4m s GLN 98 Ca 0.04 -1.64 -0.27 0.00 -1.95 0.00 0.00 55.36 51.54 1b4m s GLN 98 Cb -0.24 -5.28 0.01 0.00 -0.22 0.00 0.00 33.01 27.28 1b4m s GLN 98 CO 0.00 -2.08 1.50 0.21 -0.25 0.00 0.00 175.29 174.67 1b4m s LYS 99 N 3.92 2.99 0.58 2.91 2.20 0.37 -4.13 119.74 128.59 1b4m s LYS 99 Ca 0.45 0.10 0.08 0.00 -0.36 0.00 0.00 55.97 56.24 1b4m s LYS 99 Cb -0.00 -4.25 0.08 0.00 -1.51 0.00 0.00 37.83 32.15 1b4m s LYS 99 CO -0.04 -2.35 0.80 0.20 -0.36 0.00 0.00 175.35 173.60 1b4m s GLY 100 N 5.34 1.76 -0.16 5.54 0.00 -1.24 -1.93 107.32 116.63 1b4m s GLY 100 Ca 0.47 -2.03 0.01 0.00 0.00 0.00 0.00 44.72 43.18 1b4m s GLY 100 CO 0.18 -1.58 -0.14 -2.21 0.00 0.00 0.00 173.10 169.35 1b4m n GLU 101 N -2.30 0.41 -0.02 2.90 2.13 -1.26 -4.85 120.64 117.65 1b4m n GLU 101 Ca 0.15 0.09 -0.03 0.00 0.66 0.00 0.00 57.16 58.03 1b4m n GLU 101 Cb 0.61 -1.31 -0.02 0.00 0.27 0.00 0.00 31.44 30.99 1b4m n GLU 101 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1b4m n LYS 102 N -2.95 0.09 -4.17 5.31 0.00 -1.26 -5.08 118.16 110.10 1b4m n LYS 102 Ca -0.28 0.03 -0.24 0.00 0.00 0.00 0.00 58.31 57.82 1b4m n LYS 102 Cb 0.80 -1.00 -0.07 0.00 0.00 0.00 0.00 35.03 34.76 1b4m n LYS 102 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1b4m s GLU 103 N -2.08 2.23 -0.46 1.64 4.04 -1.26 -4.90 118.70 117.91 1b4m s GLU 103 Ca -0.05 -1.73 0.03 0.00 0.04 0.00 0.00 54.97 53.25 1b4m s GLU 103 Cb 0.01 -2.02 0.13 0.00 0.02 0.00 0.00 34.13 32.27 1b4m s GLU 103 CO 0.09 0.01 0.24 -0.80 -1.84 0.00 0.00 175.26 172.96 1b4m s ASN 104 N -3.84 3.87 0.00 0.83 -0.87 -1.26 -3.59 114.94 110.07 1b4m s ASN 104 Ca 0.38 -2.73 0.29 0.00 -1.57 0.00 0.00 52.86 49.24 1b4m s ASN 104 Cb 0.01 -1.22 1.37 0.00 -0.02 0.00 0.00 41.25 41.39 1b4m s ASN 104 CO 0.22 -0.26 1.98 0.54 -2.57 0.00 0.00 177.10 177.01 1b4m n ARG 105 N 3.43 0.22 -0.19 -0.60 5.12 -1.26 -0.42 116.66 122.96 1b4m n ARG 105 Ca 0.07 0.01 -0.05 0.00 -1.93 0.00 0.00 57.85 55.95 1b4m n ARG 105 Cb 0.34 -1.50 -0.02 0.00 -1.16 0.00 0.00 32.46 30.12 1b4m n ARG 105 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1b4m n GLY 106 N 1.35 -0.06 3.25 -0.13 0.00 -1.25 -4.12 105.19 104.23 1b4m n GLY 106 Ca 0.11 0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 1b4m n GLY 106 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1b4m s TRP 107 N 0.97 2.77 0.03 1.61 -0.00 -1.25 -1.49 118.94 121.58 1b4m s TRP 107 Ca 0.17 -1.08 -0.16 0.00 -0.00 0.00 0.00 56.10 55.03 1b4m s TRP 107 Cb -0.15 -1.88 0.03 0.00 -0.00 0.00 0.00 33.47 31.46 1b4m s TRP 107 CO 0.06 -0.50 0.35 -1.59 -0.00 0.00 0.00 176.95 175.28 1b4m s LYS 108 N 0.83 0.82 0.38 5.86 -2.85 -1.24 -3.22 119.74 120.32 1b4m s LYS 108 Ca -0.05 -0.37 0.08 0.00 -1.00 0.00 0.00 55.97 54.63 1b4m s LYS 108 Cb -0.15 0.36 -0.06 0.00 -2.06 0.00 0.00 37.83 35.92 1b4m s LYS 108 CO -0.01 -0.26 0.05 -0.65 0.10 0.00 0.00 175.35 174.59 1b4m s GLN 109 N -2.22 2.08 -0.30 1.78 1.11 -0.52 -2.21 119.66 119.38 1b4m s GLN 109 Ca -0.07 -1.87 -0.14 0.00 0.01 0.00 0.00 55.36 53.29 1b4m s GLN 109 Cb -0.02 -1.87 0.18 0.00 -1.01 0.00 0.00 33.01 30.30 1b4m s GLN 109 CO -0.01 0.02 1.12 1.67 0.01 0.00 0.00 175.29 178.10 1b4m s TRP 110 N -2.59 -0.25 -0.84 0.91 -2.14 -0.87 -4.14 118.94 109.02 1b4m s TRP 110 Ca 0.37 0.14 -0.26 0.00 2.66 0.00 0.00 56.10 59.00 1b4m s TRP 110 Cb 0.03 0.04 -0.19 0.00 -3.10 0.00 0.00 33.47 30.26 1b4m s TRP 110 CO 0.20 -0.14 2.51 0.28 -2.66 0.00 0.00 176.95 177.14 1b4m n VAL 111 N 4.96 -0.02 -1.71 -0.66 0.31 -1.26 -3.94 118.33 116.01 1b4m n VAL 111 Ca 0.10 -0.34 -0.33 0.00 -0.01 0.00 0.00 64.34 63.76 1b4m n VAL 111 Cb 0.59 -1.19 -0.02 0.00 -0.91 0.00 0.00 33.84 32.31 1b4m n VAL 111 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1b4m n GLU 112 N 8.21 2.75 0.00 5.55 -0.58 -1.24 -4.95 120.64 130.38 1b4m n GLU 112 Ca 0.57 -2.90 0.00 0.00 -0.42 0.00 0.00 57.16 54.41 1b4m n GLU 112 Cb 0.22 -2.23 0.00 0.00 -0.57 0.00 0.00 31.44 28.87 1b4m n GLU 112 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1b4m n GLY 113 N 0.40 0.35 1.07 0.62 0.00 -1.26 -4.62 105.19 101.74 1b4m n GLY 113 Ca 0.51 -1.50 0.05 0.00 0.00 0.00 0.00 46.02 45.08 1b4m n GLY 113 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b4m n ASP 114 N 0.00 3.05 -2.45 1.61 8.00 -1.26 -4.88 116.55 120.62 1b4m n ASP 114 Ca 0.00 -2.32 -0.12 0.00 0.71 0.00 0.00 54.79 53.06 1b4m n ASP 114 Cb 0.00 -0.48 -0.04 0.00 -0.02 0.00 0.00 41.12 40.58 1b4m n ASP 114 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1b4m n LYS 115 N 0.47 0.34 -3.58 -1.24 0.00 -1.26 -3.47 118.16 109.41 1b4m n LYS 115 Ca 0.14 -2.12 -0.25 0.00 -0.00 0.00 0.00 58.31 56.08 1b4m n LYS 115 Cb 0.61 1.83 -0.16 0.00 -0.00 0.00 0.00 35.03 37.31 1b4m n LYS 115 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 1b4m s LEU 116 N 0.00 0.31 0.35 -5.58 0.20 -1.26 -3.60 118.68 109.10 1b4m s LEU 116 Ca 0.24 -0.68 -0.27 0.00 0.69 0.00 0.00 54.13 54.12 1b4m s LEU 116 Cb 0.01 -0.17 -0.09 0.00 -0.43 0.00 0.00 46.19 45.51 1b4m s LEU 116 CO 0.17 -0.36 1.13 -0.31 -0.29 0.00 0.00 176.35 176.69 1b4m s TYR 117 N 2.16 3.27 -0.48 5.38 2.02 -1.25 -4.59 117.35 123.87 1b4m s TYR 117 Ca 0.04 1.61 0.03 0.00 -0.37 0.00 0.00 57.07 58.38 1b4m s TYR 117 Cb -0.16 -3.33 0.15 0.00 -0.40 0.00 0.00 41.96 38.22 1b4m s TYR 117 CO -0.14 -0.98 0.30 -0.51 -1.57 0.00 0.00 175.55 172.65 1b4m s LEU 118 N -2.11 2.73 -0.79 -1.29 1.43 -1.26 -2.06 118.68 115.33 1b4m s LEU 118 Ca 0.52 -2.90 -0.16 0.00 -1.03 0.00 0.00 54.13 50.57 1b4m s LEU 118 Cb -0.30 -0.99 0.18 0.00 0.03 0.00 0.00 46.19 45.10 1b4m s LEU 118 CO 0.39 -0.22 0.81 -1.61 0.23 0.00 0.00 176.35 175.95 1b4m s GLU 119 N 0.02 3.47 0.40 1.70 2.02 -0.94 -3.39 118.70 121.98 1b4m s GLU 119 Ca 0.22 -2.08 0.03 0.00 0.02 0.00 0.00 54.97 53.16 1b4m s GLU 119 Cb -0.15 -4.50 0.03 0.00 0.10 0.00 0.00 34.13 29.61 1b4m s GLU 119 CO -0.06 -1.43 0.27 1.47 0.02 0.00 0.00 175.26 175.53 1b4m n LEU 120 N 4.98 0.00 -4.03 1.80 -0.00 -1.00 -3.72 117.00 115.03 1b4m n LEU 120 Ca 0.10 -2.11 -0.13 0.00 -0.00 0.00 0.00 56.01 53.87 1b4m n LEU 120 Cb 0.46 -0.01 -0.03 0.00 -0.00 0.00 0.00 43.42 43.85 1b4m n LEU 120 CO 0.42 -0.48 0.22 0.28 -0.00 0.00 0.00 177.39 177.83 1b4m s THR 121 N -2.01 0.00 -0.36 1.47 -1.32 -0.55 -2.22 115.64 110.64 1b4m s THR 121 Ca 0.21 -1.48 0.05 0.00 -1.21 0.00 0.00 61.69 59.26 1b4m s THR 121 Cb -0.02 -2.67 0.33 0.00 -1.51 0.00 0.00 72.50 68.63 1b4m s THR 121 CO 0.13 0.00 1.34 0.00 -2.21 0.00 0.00 174.62 173.88 1b4m n GLY 123 N 0.48 2.03 0.48 0.00 0.00 0.20 -4.10 105.19 104.28 1b4m n GLY 123 Ca -0.03 -0.43 -0.18 0.00 0.00 0.00 0.00 46.02 45.38 1b4m n GLY 123 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b4m n ASP 124 N 4.14 1.20 -3.94 1.61 8.00 -1.26 -4.70 116.55 121.61 1b4m n ASP 124 Ca 0.00 0.21 -0.29 0.00 0.71 0.00 0.00 54.79 55.41 1b4m n ASP 124 Cb 0.00 -0.50 0.26 0.00 -0.02 0.00 0.00 41.12 40.86 1b4m n ASP 124 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1b4m s GLN 125 N -2.32 -1.82 -0.41 -1.24 1.11 -1.26 -5.03 119.66 108.69 1b4m s GLN 125 Ca -0.23 0.35 0.06 0.00 0.01 0.00 0.00 55.36 55.54 1b4m s GLN 125 Cb 0.09 -1.49 0.17 0.00 -1.01 0.00 0.00 33.01 30.77 1b4m s GLN 125 CO 0.29 -4.20 0.52 0.54 0.01 0.00 0.00 175.29 172.46 1b4m s VAL 126 N -2.50 -0.64 -0.18 1.09 0.11 -1.26 -3.01 120.40 114.02 1b4m s VAL 126 Ca 0.69 -0.72 -0.29 0.00 -2.93 0.00 0.00 61.98 58.73 1b4m s VAL 126 Cb -0.17 -0.35 -0.02 0.00 -1.53 0.00 0.00 36.38 34.31 1b4m s VAL 126 CO 0.60 -0.32 1.37 0.00 -3.33 0.00 0.00 175.10 173.42 1b4m s ARG 128 N 3.84 3.40 0.14 0.00 3.52 -1.26 -2.38 118.95 126.21 1b4m s ARG 128 Ca 0.60 -0.40 0.08 0.00 -0.13 0.00 0.00 55.73 55.88 1b4m s ARG 128 Cb -0.23 -2.95 -0.04 0.00 -1.56 0.00 0.00 34.95 30.17 1b4m s ARG 128 CO 0.20 0.51 -0.17 -0.65 -0.81 0.00 0.00 175.30 174.38 1b4m s GLN 129 N -0.34 1.18 -0.02 5.12 -0.21 -1.22 -2.90 119.66 121.28 1b4m s GLN 129 Ca 0.07 -1.32 0.02 0.00 0.02 0.00 0.00 55.36 54.15 1b4m s GLN 129 Cb -0.12 -1.21 0.00 0.00 1.00 0.00 0.00 33.01 32.68 1b4m s GLN 129 CO 0.02 0.25 -0.06 0.14 -2.12 0.00 0.00 175.29 173.51 1b4m s VAL 130 N -1.95 0.58 0.44 1.09 -7.23 -1.22 -4.33 120.40 107.78 1b4m s VAL 130 Ca 0.12 -0.25 0.02 0.00 -1.81 0.00 0.00 61.98 60.07 1b4m s VAL 130 Cb -0.06 -0.53 -0.01 0.00 0.56 0.00 0.00 36.38 36.34 1b4m s VAL 130 CO 0.05 0.19 0.09 0.49 -0.31 0.00 0.00 175.10 175.61 1b4m n PHE 131 N 3.31 0.53 -2.69 2.82 3.01 -1.26 -2.98 117.46 120.20 1b4m n PHE 131 Ca -0.18 -2.54 -0.05 0.00 1.01 0.00 0.00 57.45 55.69 1b4m n PHE 131 Cb 0.55 -0.13 0.11 0.00 -0.01 0.00 0.00 39.48 40.00 1b4m n PHE 131 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 1b4m n LYS 132 N -1.04 1.28 0.00 -1.08 -0.00 -1.26 -4.70 118.16 111.37 1b4m n LYS 132 Ca -0.12 -1.77 0.00 0.00 -0.00 0.00 0.00 58.31 56.42 1b4m n LYS 132 Cb 0.62 -0.02 0.00 0.00 -0.00 0.00 0.00 35.03 35.62 1b4m n LYS 132 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1b4m n LYS 133 N -0.92 0.00 -0.69 -1.58 4.81 -1.23 -4.89 118.16 113.66 1b4m n LYS 133 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.37 1b4m n LYS 133 Cb 0.86 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.91 1b4m n LYS 133 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74