#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b4m h THR 2 N 0.00 0.51 -0.64 2.03 2.02 -2.03 -2.95 112.91 111.84 1b4m h THR 2 Ca 0.00 -1.01 0.00 0.00 0.77 0.00 0.00 66.41 66.17 1b4m h THR 2 Cb 0.00 1.70 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 1b4m h THR 2 CO 0.00 0.19 0.00 0.29 0.37 0.00 0.00 175.52 176.37 1b4m n LYS 3 N -3.39 2.91 -3.21 6.66 4.76 -1.26 -4.76 118.16 119.87 1b4m n LYS 3 Ca -0.00 -2.59 -0.45 0.00 -2.87 0.00 0.00 58.31 52.39 1b4m n LYS 3 Cb 0.40 -1.57 -0.01 0.00 -1.84 0.00 0.00 35.03 32.01 1b4m n LYS 3 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1b4m s ASP 4 N -1.00 7.02 0.06 4.39 2.15 -1.12 -4.96 116.67 123.21 1b4m s ASP 4 Ca 0.45 -3.02 0.08 0.00 0.43 0.00 0.00 52.55 50.49 1b4m s ASP 4 Cb 0.24 -2.27 -0.03 0.00 -0.30 0.00 0.00 42.92 40.56 1b4m s ASP 4 CO 0.28 -0.55 -0.22 -1.58 -0.17 0.00 0.00 175.17 172.93 1b4m s GLN 5 N 0.18 1.89 -0.04 4.34 -0.44 -1.26 -5.00 119.66 119.32 1b4m s GLN 5 Ca 0.29 -1.08 -0.22 0.00 -2.50 0.00 0.00 55.36 51.85 1b4m s GLN 5 Cb -0.08 -2.08 0.05 0.00 -1.64 0.00 0.00 33.01 29.25 1b4m s GLN 5 CO -0.07 0.52 0.49 -0.80 0.50 0.00 0.00 175.29 175.92 1b4m s ASN 6 N -1.51 -0.42 -0.02 6.67 -0.87 -1.26 -3.32 114.94 114.20 1b4m s ASN 6 Ca 0.14 0.43 -0.11 0.00 -1.57 0.00 0.00 52.86 51.75 1b4m s ASN 6 Cb -0.10 0.46 0.03 0.00 -0.02 0.00 0.00 41.25 41.62 1b4m s ASN 6 CO 0.05 -0.50 0.48 0.61 -2.57 0.00 0.00 177.10 175.16 1b4m n GLY 7 N 1.21 0.37 0.70 0.66 0.00 -1.20 -5.01 105.19 101.92 1b4m n GLY 7 Ca -0.20 -0.89 0.01 0.00 0.00 0.00 0.00 46.02 44.94 1b4m n GLY 7 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1b4m n THR 8 N -0.34 0.07 -0.30 2.61 5.66 -1.26 -3.40 114.28 117.31 1b4m n THR 8 Ca 0.02 -0.30 -0.12 0.00 -3.05 0.00 0.00 64.05 60.60 1b4m n THR 8 Cb 0.21 0.58 -0.02 0.00 -1.55 0.00 0.00 70.33 69.55 1b4m n THR 8 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 175.07 172.81 1b4m n TRP 9 N 0.06 0.23 1.18 1.09 7.02 -1.18 -4.26 117.44 121.58 1b4m n TRP 9 Ca 0.02 0.20 0.11 0.00 -1.02 0.00 0.00 57.50 56.81 1b4m n TRP 9 Cb 0.79 -0.40 0.59 0.00 -2.42 0.00 0.00 31.31 29.88 1b4m n TRP 9 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 1b4m n GLU 10 N 0.53 0.48 -3.43 -0.99 1.02 -1.12 -0.47 120.64 116.66 1b4m n GLU 10 Ca 0.05 0.05 -0.24 0.00 -0.02 0.00 0.00 57.16 56.99 1b4m n GLU 10 Cb 0.00 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 29.92 1b4m n GLU 10 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 1b4m n MET 11 N -1.16 -3.47 -0.12 3.49 0.00 -1.26 -4.01 117.12 110.59 1b4m n MET 11 Ca 0.13 0.48 0.05 0.00 -0.00 0.00 0.00 57.70 58.36 1b4m n MET 11 Cb 0.13 -5.20 0.09 0.00 0.00 0.00 0.00 33.22 28.25 1b4m n MET 11 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1b4m n GLU 12 N -3.81 -0.03 0.00 2.12 2.13 -1.21 -4.50 120.64 115.34 1b4m n GLU 12 Ca -0.01 0.51 0.00 0.00 0.66 0.00 0.00 57.16 58.32 1b4m n GLU 12 Cb 0.54 -0.80 0.00 0.00 0.27 0.00 0.00 31.44 31.44 1b4m n GLU 12 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1b4m n SER 13 N -4.31 0.41 0.00 4.31 2.88 0.18 -5.03 113.62 112.06 1b4m n SER 13 Ca 0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1b4m n SER 13 Cb 0.25 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 1b4m n SER 13 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1b4m n ASN 14 N 0.00 0.00 0.00 -3.46 4.05 -1.26 -4.49 115.26 110.11 1b4m n ASN 14 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1b4m n ASN 14 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 1b4m n ASN 14 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1b4m n GLU 15 N -0.78 0.00 -3.60 1.20 -0.58 -1.24 -4.99 120.64 110.65 1b4m n GLU 15 Ca 0.00 0.20 -0.25 0.00 -0.42 0.00 0.00 57.16 56.70 1b4m n GLU 15 Cb 0.00 -0.70 -0.02 0.00 -0.57 0.00 0.00 31.44 30.15 1b4m n GLU 15 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1b4m s ASN 16 N -3.55 6.34 0.00 1.62 2.47 -1.26 -4.97 114.94 115.60 1b4m s ASN 16 Ca 0.00 0.38 0.00 0.00 0.42 0.00 0.00 52.86 53.66 1b4m s ASN 16 Cb 0.00 -2.00 0.00 0.00 -1.45 0.00 0.00 41.25 37.80 1b4m s ASN 16 CO 0.00 -0.16 0.00 0.33 -3.72 0.00 0.00 177.10 173.55 1b4m n PHE 17 N -1.27 -0.94 -0.08 0.43 7.35 -1.26 -4.61 117.46 117.08 1b4m n PHE 17 Ca -0.05 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.52 1b4m n PHE 17 Cb 0.55 0.42 -0.05 0.00 0.35 0.00 0.00 39.48 40.75 1b4m n PHE 17 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1b4m h GLU 18 N 0.00 0.45 0.00 -4.13 5.08 -1.94 -2.73 114.58 111.31 1b4m h GLU 18 Ca 0.00 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1b4m h GLU 18 Cb 0.00 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1b4m h GLU 18 CO 0.00 0.69 -0.05 0.78 -1.00 0.00 0.00 179.01 179.43 1b4m h GLY 19 N 0.18 0.00 0.81 -3.84 0.00 -1.96 0.71 103.07 98.96 1b4m h GLY 19 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.18 1b4m h GLY 19 CO 0.02 0.00 -0.86 -1.82 0.00 0.00 0.00 176.54 173.88 1b4m h TYR 20 N 0.00 0.64 -0.19 5.60 3.20 -1.88 -2.13 116.97 122.22 1b4m h TYR 20 Ca -0.00 -0.43 -0.08 0.00 3.14 0.00 0.00 58.73 61.36 1b4m h TYR 20 Cb 0.20 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 1b4m h TYR 20 CO 0.00 1.31 -0.23 0.52 -1.64 0.00 0.00 178.16 178.12 1b4m h MET 21 N -0.20 0.33 0.00 1.82 2.86 -1.01 -2.60 114.93 116.13 1b4m h MET 21 Ca -0.14 -0.11 -0.08 0.00 -2.06 0.00 0.00 59.70 57.31 1b4m h MET 21 Cb 1.63 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 33.25 1b4m h MET 21 CO 0.16 0.55 -0.37 0.87 1.06 0.00 0.00 176.91 179.18 1b4m h LYS 22 N 0.30 0.00 0.15 1.72 1.57 0.35 0.55 116.57 121.21 1b4m h LYS 22 Ca 0.05 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1b4m h LYS 22 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1b4m h LYS 22 CO 0.04 0.37 -0.07 0.00 -0.57 0.00 0.00 179.45 179.22 1b4m h ALA 23 N 1.63 -0.20 -0.00 3.86 0.00 -0.98 -2.98 119.26 120.58 1b4m h ALA 23 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1b4m h ALA 23 Cb 0.96 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1b4m h ALA 23 CO 0.05 -0.40 -0.20 1.47 0.00 0.00 0.00 179.25 180.17 1b4m n LEU 24 N -4.99 0.53 -3.66 0.00 -0.00 -1.17 -4.87 117.00 102.84 1b4m n LEU 24 Ca -0.09 0.01 -0.30 0.00 -0.00 0.00 0.00 56.01 55.63 1b4m n LEU 24 Cb 0.24 -0.22 0.02 0.00 -0.00 0.00 0.00 43.42 43.46 1b4m n LEU 24 CO 0.31 0.11 -0.26 -0.90 -0.00 0.00 0.00 177.39 176.64 1b4m n ASP 25 N -1.06 -4.95 0.24 1.45 5.68 0.10 -4.66 116.55 113.35 1b4m n ASP 25 Ca 0.11 -0.66 0.10 0.00 -0.50 0.00 0.00 54.79 53.84 1b4m n ASP 25 Cb 0.31 -1.56 0.61 0.00 -1.14 0.00 0.00 41.12 39.34 1b4m n ASP 25 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1b4m h ILE 26 N 0.64 0.76 0.00 2.12 2.10 -0.24 -3.46 117.51 119.43 1b4m h ILE 26 Ca -0.61 -0.72 0.00 0.00 1.08 0.00 0.00 64.86 64.61 1b4m h ILE 26 Cb 1.39 1.44 0.00 0.00 -1.09 0.00 0.00 36.82 38.55 1b4m h ILE 26 CO 0.31 0.18 0.00 -0.90 -1.08 0.00 0.00 178.15 176.66 1b4m n ASP 27 N -3.79 0.00 -4.40 2.19 5.75 -1.26 -4.93 116.55 110.11 1b4m n ASP 27 Ca -0.02 0.00 -0.45 0.00 -0.01 0.00 0.00 54.79 54.31 1b4m n ASP 27 Cb 0.28 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.36 1b4m n ASP 27 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 1b4m s PHE 28 N -0.46 3.53 0.00 2.11 0.40 -1.26 -4.22 117.98 118.08 1b4m s PHE 28 Ca 0.00 -1.85 0.00 0.00 -0.60 0.00 0.00 56.93 54.48 1b4m s PHE 28 Cb 0.00 -4.07 0.00 0.00 0.51 0.00 0.00 43.02 39.46 1b4m s PHE 28 CO 0.00 -1.24 0.00 0.00 0.70 0.00 0.00 175.22 174.68 1b4m n ALA 29 N 5.07 0.00 0.00 5.36 0.00 -1.26 -5.03 120.51 124.66 1b4m n ALA 29 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1b4m n ALA 29 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1b4m n ALA 29 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1b4m n THR 30 N 0.00 0.00 0.09 0.00 -1.04 -1.26 -5.06 114.28 107.00 1b4m n THR 30 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1b4m n THR 30 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1b4m n THR 30 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1b4m n ARG 31 N 0.00 0.00 -0.02 -2.82 1.85 -1.26 -4.66 116.66 109.75 1b4m n ARG 31 Ca 0.00 0.00 0.13 0.00 -1.00 0.00 0.00 57.85 56.98 1b4m n ARG 31 Cb 0.00 -0.05 0.53 0.00 -1.05 0.00 0.00 32.46 31.90 1b4m n ARG 31 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1b4m n LYS 32 N -3.14 1.58 -0.08 2.89 4.81 -1.26 -3.97 118.16 118.99 1b4m n LYS 32 Ca 0.00 -0.86 -0.16 0.00 -0.87 0.00 0.00 58.31 56.42 1b4m n LYS 32 Cb 0.02 -1.45 -0.06 0.00 0.02 0.00 0.00 35.03 33.55 1b4m n LYS 32 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1b4m n ILE 33 N 0.05 0.90 -0.23 3.15 -0.00 -1.26 -4.68 119.36 117.27 1b4m n ILE 33 Ca 0.19 -0.25 0.01 0.00 -0.00 0.00 0.00 62.75 62.69 1b4m n ILE 33 Cb 0.31 -1.56 0.13 0.00 -0.00 0.00 0.00 39.64 38.51 1b4m n ILE 33 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1b4m h ALA 34 N -0.45 0.92 0.00 -1.39 0.00 -1.83 -3.41 119.26 113.10 1b4m h ALA 34 Ca -0.40 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1b4m h ALA 34 Cb 1.40 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1b4m h ALA 34 CO -0.21 -0.07 0.00 0.28 0.00 0.00 0.00 179.25 179.25 1b4m n VAL 35 N -4.89 0.00 -3.15 0.00 0.31 -1.25 -3.34 118.33 106.01 1b4m n VAL 35 Ca 0.10 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.49 1b4m n VAL 35 Cb 0.26 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.19 1b4m n VAL 35 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1b4m s ARG 36 N 0.00 0.10 0.00 5.55 3.00 -1.26 -5.00 118.95 121.34 1b4m s ARG 36 Ca 0.00 0.11 0.26 0.00 -1.00 0.00 0.00 55.73 55.10 1b4m s ARG 36 Cb 0.00 0.05 0.60 0.00 0.00 0.00 0.00 34.95 35.60 1b4m s ARG 36 CO 0.00 -0.19 1.49 1.47 0.00 0.00 0.00 175.30 178.07 1b4m n LEU 37 N 5.10 2.14 0.00 -0.88 -0.00 -1.21 -4.86 117.00 117.28 1b4m n LEU 37 Ca 0.09 -0.71 0.00 0.00 -0.00 0.00 0.00 56.01 55.39 1b4m n LEU 37 Cb 0.58 -0.01 0.00 0.00 -0.00 0.00 0.00 43.42 43.99 1b4m n LEU 37 CO -0.17 0.36 0.00 0.41 -0.00 0.00 0.00 177.39 177.99 1b4m n THR 38 N 0.61 0.00 -2.34 1.47 -1.04 -1.26 -4.99 114.28 106.72 1b4m n THR 38 Ca 0.16 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.93 1b4m n THR 38 Cb 0.47 0.00 0.14 0.00 -1.82 0.00 0.00 70.33 69.11 1b4m n THR 38 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1b4m n GLN 39 N 0.00 -0.45 -3.65 -2.82 0.00 -1.26 -4.51 117.38 104.69 1b4m n GLN 39 Ca 0.00 -2.32 -0.02 0.00 0.00 0.00 0.00 57.00 54.66 1b4m n GLN 39 Cb 0.00 -0.84 -0.07 0.00 0.00 0.00 0.00 30.24 29.33 1b4m n GLN 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1b4m s THR 40 N -3.14 0.00 0.21 -0.39 2.01 -1.26 -4.84 115.64 108.23 1b4m s THR 40 Ca 0.64 0.00 0.10 0.00 0.31 0.00 0.00 61.69 62.75 1b4m s THR 40 Cb -0.03 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.44 1b4m s THR 40 CO 0.44 0.00 -0.20 -0.75 -0.69 0.00 0.00 174.62 173.42 1b4m s LYS 41 N 0.29 1.46 -0.27 4.92 2.36 0.38 -0.41 119.74 128.49 1b4m s LYS 41 Ca 0.03 -1.57 -0.01 0.00 -2.55 0.00 0.00 55.97 51.87 1b4m s LYS 41 Cb -0.04 -1.56 0.14 0.00 -1.05 0.00 0.00 37.83 35.32 1b4m s LYS 41 CO -0.14 0.31 0.35 0.42 1.55 0.00 0.00 175.35 177.83 1b4m s ILE 42 N -2.24 -0.53 0.08 5.43 1.01 0.67 -3.11 121.20 122.52 1b4m s ILE 42 Ca 0.22 -0.26 -0.26 0.00 0.00 0.00 0.00 60.65 60.35 1b4m s ILE 42 Cb -0.05 -0.90 -0.06 0.00 0.01 0.00 0.00 42.46 41.46 1b4m s ILE 42 CO 0.10 -0.27 0.82 -0.51 0.00 0.00 0.00 174.94 175.07 1b4m s ILE 43 N 2.47 4.61 -0.31 2.92 -1.16 -1.22 0.14 121.20 128.65 1b4m s ILE 43 Ca 0.10 1.76 -0.01 0.00 -0.51 0.00 0.00 60.65 61.99 1b4m s ILE 43 Cb -0.14 -4.17 0.13 0.00 0.61 0.00 0.00 42.46 38.88 1b4m s ILE 43 CO -0.24 0.38 0.25 -0.69 -2.81 0.00 0.00 174.94 171.82 1b4m s VAL 44 N -0.21 -0.20 -0.19 4.00 1.01 -1.18 -3.22 120.40 120.41 1b4m s VAL 44 Ca 0.40 -0.87 -0.15 0.00 0.00 0.00 0.00 61.98 61.36 1b4m s VAL 44 Cb -0.22 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 1b4m s VAL 44 CO 0.25 -0.66 0.37 -1.10 0.00 0.00 0.00 175.10 173.96 1b4m s GLN 45 N 1.90 4.20 -0.11 2.72 -0.21 -1.21 -0.85 119.66 126.10 1b4m s GLN 45 Ca 0.12 0.17 0.20 0.00 0.02 0.00 0.00 55.36 55.87 1b4m s GLN 45 Cb -0.16 -3.50 0.44 0.00 1.00 0.00 0.00 33.01 30.78 1b4m s GLN 45 CO -0.23 0.04 1.18 -3.47 -2.12 0.00 0.00 175.29 170.69 1b4m n ASP 46 N 4.20 1.54 -0.41 5.90 2.03 -1.19 -4.79 116.55 123.82 1b4m n ASP 46 Ca -0.09 -2.68 0.00 0.00 0.52 0.00 0.00 54.79 52.54 1b4m n ASP 46 Cb 0.51 -0.39 0.00 0.00 -0.72 0.00 0.00 41.12 40.52 1b4m n ASP 46 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1b4m n GLY 47 N -0.18 -2.94 5.00 0.27 0.00 -1.26 -4.70 105.19 101.38 1b4m n GLY 47 Ca 0.12 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1b4m n GLY 47 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1b4m n ASP 48 N -0.02 0.00 -4.54 1.61 2.03 -1.26 -4.69 116.55 109.69 1b4m n ASP 48 Ca 0.00 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.90 1b4m n ASP 48 Cb 0.00 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.31 1b4m n ASP 48 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 1b4m s ASN 49 N 0.00 6.23 -0.04 1.67 0.01 -1.26 -1.96 114.94 119.58 1b4m s ASN 49 Ca 0.00 -0.25 0.05 0.00 -0.71 0.00 0.00 52.86 51.94 1b4m s ASN 49 Cb 0.00 -2.23 -0.02 0.00 0.41 0.00 0.00 41.25 39.41 1b4m s ASN 49 CO 0.00 -0.43 -0.17 0.12 -1.51 0.00 0.00 177.10 175.11 1b4m s PHE 50 N 2.17 2.62 -0.27 2.20 5.36 -1.20 -3.14 117.98 125.72 1b4m s PHE 50 Ca 0.14 -0.22 -0.02 0.00 -0.96 0.00 0.00 56.93 55.87 1b4m s PHE 50 Cb -0.16 -1.60 0.12 0.00 -0.34 0.00 0.00 43.02 41.03 1b4m s PHE 50 CO 0.13 0.14 0.24 0.15 -1.46 0.00 0.00 175.22 174.41 1b4m s LYS 51 N -0.70 0.26 0.82 10.12 1.02 -0.03 -2.67 119.74 128.56 1b4m s LYS 51 Ca 0.11 -0.17 -0.11 0.00 0.02 0.00 0.00 55.97 55.83 1b4m s LYS 51 Cb -0.10 -0.91 0.08 0.00 -0.52 0.00 0.00 37.83 36.38 1b4m s LYS 51 CO 0.00 -0.95 1.10 0.99 -0.92 0.00 0.00 175.35 175.57 1b4m s THR 52 N 2.29 3.02 -0.26 2.17 2.01 0.16 -3.10 115.64 121.92 1b4m s THR 52 Ca 0.09 0.33 -0.13 0.00 0.31 0.00 0.00 61.69 62.29 1b4m s THR 52 Cb -0.15 -2.74 0.09 0.00 0.01 0.00 0.00 72.50 69.71 1b4m s THR 52 CO -0.29 -0.43 0.62 -0.54 -0.69 0.00 0.00 174.62 173.28 1b4m s LYS 53 N -4.87 0.60 0.11 4.92 -0.14 0.37 -1.08 119.74 119.66 1b4m s LYS 53 Ca 0.62 1.19 -0.07 0.00 -1.36 0.00 0.00 55.97 56.35 1b4m s LYS 53 Cb -0.18 0.27 -0.06 0.00 -1.68 0.00 0.00 37.83 36.18 1b4m s LYS 53 CO 0.57 -0.17 0.39 -0.08 -0.76 0.00 0.00 175.35 175.29 1b4m s THR 54 N 1.91 5.14 -0.44 2.17 -1.32 -1.09 0.24 115.64 122.24 1b4m s THR 54 Ca -0.09 0.23 0.10 0.00 -1.21 0.00 0.00 61.69 60.72 1b4m s THR 54 Cb -0.07 -3.63 0.35 0.00 -1.51 0.00 0.00 72.50 67.64 1b4m s THR 54 CO -0.18 0.16 0.83 0.59 -2.21 0.00 0.00 174.62 173.80 1b4m n ASN 55 N 0.48 2.26 -3.73 8.08 5.03 0.46 -4.36 115.26 123.47 1b4m n ASN 55 Ca -0.05 -3.26 -0.15 0.00 0.87 0.00 0.00 54.58 51.99 1b4m n ASN 55 Cb 0.52 -0.59 0.07 0.00 -1.02 0.00 0.00 39.78 38.76 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 0.06 0.98 -0.05 6.41 7.64 -1.26 -4.37 113.62 123.04 1b4m n SER 56 Ca 0.27 -1.80 -0.10 0.00 1.01 0.00 0.00 58.87 58.25 1b4m n SER 56 Cb 0.57 -0.40 -0.03 0.00 -1.01 0.00 0.00 64.21 63.34 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 -2.26 0.55 0.00 0.44 -1.04 -1.26 -4.47 114.28 106.24 1b4m n THR 57 Ca 0.11 -0.11 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 1b4m n THR 57 Cb 0.39 -1.64 -0.06 0.00 -1.82 0.00 0.00 70.33 67.20 1b4m n THR 57 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 1b4m h PHE 58 N -0.34 -1.23 -1.55 -1.42 0.04 -1.95 -3.40 116.94 107.09 1b4m h PHE 58 Ca -0.23 0.05 -0.09 0.00 2.80 0.00 0.00 57.97 60.50 1b4m h PHE 58 Cb 1.17 0.56 -0.27 0.00 2.20 0.00 0.00 35.95 39.62 1b4m h PHE 58 CO -0.03 -0.48 -0.44 1.03 -0.60 0.00 0.00 178.31 177.78 1b4m s ARG 59 N -5.87 0.44 -1.22 1.51 0.52 -1.26 -5.08 118.95 107.99 1b4m s ARG 59 Ca -0.15 0.51 -0.15 0.00 -0.52 0.00 0.00 55.73 55.41 1b4m s ARG 59 Cb 0.09 -0.13 0.14 0.00 0.52 0.00 0.00 34.95 35.57 1b4m s ARG 59 CO 0.64 -0.80 1.51 -0.80 0.02 0.00 0.00 175.30 175.86 1b4m s ASN 60 N 2.64 6.97 0.97 0.23 -0.87 -1.26 -4.59 114.94 119.03 1b4m s ASN 60 Ca 0.13 -2.76 -0.12 0.00 -1.57 0.00 0.00 52.86 48.55 1b4m s ASN 60 Cb -0.14 -2.46 0.17 0.00 -0.02 0.00 0.00 41.25 38.81 1b4m s ASN 60 CO -0.22 -0.90 1.09 -0.47 -2.57 0.00 0.00 177.10 174.02 1b4m s TYR 61 N 2.48 2.07 -0.35 2.20 5.04 -1.26 -4.91 117.35 122.62 1b4m s TYR 61 Ca 0.46 1.18 0.00 0.00 -2.44 0.00 0.00 57.07 56.27 1b4m s TYR 61 Cb -0.01 -3.19 0.14 0.00 0.35 0.00 0.00 41.96 39.25 1b4m s TYR 61 CO 0.02 -2.80 0.22 -0.51 -1.34 0.00 0.00 175.55 171.14 1b4m s ASP 62 N -3.26 2.82 -1.00 4.32 1.01 -1.26 -2.67 116.67 116.62 1b4m s ASP 62 Ca 0.65 -2.22 -0.12 0.00 0.71 0.00 0.00 52.55 51.56 1b4m s ASP 62 Cb -0.19 -0.37 -0.08 0.00 1.01 0.00 0.00 42.92 43.29 1b4m s ASP 62 CO 0.58 -0.30 2.15 -0.11 0.21 0.00 0.00 175.17 177.70 1b4m n LEU 63 N 3.98 5.27 -4.43 1.23 7.94 -0.24 -4.82 117.00 125.92 1b4m n LEU 63 Ca 0.13 -3.18 -0.44 0.00 -1.11 0.00 0.00 56.01 51.41 1b4m n LEU 63 Cb 0.38 -1.21 -0.06 0.00 0.53 0.00 0.00 43.42 43.06 1b4m n LEU 63 CO 0.13 0.50 0.28 -0.62 -1.11 0.00 0.00 177.39 176.57 1b4m s ASP 64 N 3.78 6.20 0.43 1.96 2.15 -1.25 0.35 116.67 130.29 1b4m s ASP 64 Ca 0.49 -1.05 0.01 0.00 0.43 0.00 0.00 52.55 52.43 1b4m s ASP 64 Cb 0.13 -2.27 -0.00 0.00 -0.30 0.00 0.00 42.92 40.48 1b4m s ASP 64 CO 0.01 -0.86 0.04 0.49 -0.17 0.00 0.00 175.17 174.67 1b4m n PHE 65 N 5.98 0.78 -3.71 -5.34 3.72 -1.09 -5.03 117.46 112.76 1b4m n PHE 65 Ca -0.08 -2.25 -0.12 0.00 -0.05 0.00 0.00 57.45 54.96 1b4m n PHE 65 Cb 0.45 -0.21 -0.11 0.00 -0.94 0.00 0.00 39.48 38.66 1b4m n PHE 65 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1b4m s THR 66 N -2.70 -0.02 0.27 4.37 2.01 -1.26 -3.27 115.64 115.04 1b4m s THR 66 Ca 0.05 0.07 -0.30 0.00 0.31 0.00 0.00 61.69 61.83 1b4m s THR 66 Cb 0.00 -0.56 -0.14 0.00 0.01 0.00 0.00 72.50 71.82 1b4m s THR 66 CO 0.04 0.03 1.22 0.52 -0.69 0.00 0.00 174.62 175.74 1b4m n VAL 67 N 3.80 1.55 -3.60 3.82 0.31 -0.83 -2.76 118.33 120.62 1b4m n VAL 67 Ca -0.20 -0.39 -0.24 0.00 -0.01 0.00 0.00 64.34 63.50 1b4m n VAL 67 Cb 0.56 -1.28 -0.06 0.00 -0.91 0.00 0.00 33.84 32.15 1b4m n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1b4m n GLY 68 N 1.46 -0.17 0.05 2.92 0.00 0.38 -4.76 105.19 105.09 1b4m n GLY 68 Ca 0.09 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.32 1b4m n GLY 68 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1b4m n VAL 69 N -3.11 0.28 -2.62 1.61 3.14 -1.11 -4.95 118.33 111.58 1b4m n VAL 69 Ca -0.08 -0.22 -0.01 0.00 -2.96 0.00 0.00 64.34 61.07 1b4m n VAL 69 Cb 0.38 -0.06 0.00 0.00 -1.06 0.00 0.00 33.84 33.10 1b4m n VAL 69 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1b4m n GLU 70 N -2.00 -1.07 -1.06 1.45 2.13 -1.26 -4.76 120.64 114.07 1b4m n GLU 70 Ca 0.04 1.29 -0.39 0.00 0.66 0.00 0.00 57.16 58.75 1b4m n GLU 70 Cb 0.42 -4.61 -0.09 0.00 0.27 0.00 0.00 31.44 27.44 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 -1.40 1.18 -1.53 4.31 7.35 0.29 -4.81 117.46 122.85 1b4m n PHE 71 Ca 0.01 -1.11 -0.40 0.00 -0.76 0.00 0.00 57.45 55.19 1b4m n PHE 71 Cb 0.48 -1.55 -0.07 0.00 0.35 0.00 0.00 39.48 38.69 1b4m n PHE 71 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1b4m n ASP 72 N 10.15 1.79 -0.36 -2.13 5.68 -1.26 -1.94 116.55 128.47 1b4m n ASP 72 Ca 0.47 -0.18 0.00 0.00 -0.50 0.00 0.00 54.79 54.58 1b4m n ASP 72 Cb 0.42 -1.37 0.00 0.00 -1.14 0.00 0.00 41.12 39.04 1b4m n ASP 72 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1b4m n GLU 73 N 8.76 0.00 -1.79 0.11 4.71 -0.66 -4.92 120.64 126.85 1b4m n GLU 73 Ca 0.45 0.00 -0.00 0.00 -0.01 0.00 0.00 57.16 57.60 1b4m n GLU 73 Cb 0.36 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.79 1b4m n GLU 73 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 1b4m n HIS 74 N -0.72 -0.93 0.17 -0.32 8.25 -1.26 -4.77 115.22 115.63 1b4m n HIS 74 Ca 0.00 0.41 0.02 0.00 -0.26 0.00 0.00 57.72 57.88 1b4m n HIS 74 Cb 0.00 -2.10 -0.01 0.00 1.12 0.00 0.00 29.99 28.99 1b4m n HIS 74 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1b4m n THR 75 N 0.06 0.00 -0.81 1.59 -2.24 -1.26 -4.97 114.28 106.65 1b4m n THR 75 Ca 0.01 -0.43 -0.26 0.00 -2.27 0.00 0.00 64.05 61.10 1b4m n THR 75 Cb 0.02 1.01 0.01 0.00 -2.10 0.00 0.00 70.33 69.27 1b4m n THR 75 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1b4m n LYS 76 N -0.87 0.00 0.00 -0.78 0.00 -1.26 -2.29 118.16 112.96 1b4m n LYS 76 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 1b4m n LYS 76 Cb 0.06 -0.67 0.00 0.00 -0.00 0.00 0.00 35.03 34.42 1b4m n LYS 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1b4m n GLY 77 N 1.78 1.85 0.09 2.58 0.00 -1.26 -4.43 105.19 105.80 1b4m n GLY 77 Ca 0.04 -0.19 -0.17 0.00 0.00 0.00 0.00 46.02 45.71 1b4m n GLY 77 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1b4m h LEU 78 N 0.00 0.17 0.00 0.99 5.85 -1.92 -3.45 115.31 116.96 1b4m h LEU 78 Ca 0.00 -0.95 -0.02 0.00 0.84 0.00 0.00 57.88 57.75 1b4m h LEU 78 Cb 0.00 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 1b4m h LEU 78 CO 0.00 1.19 -0.50 0.47 -0.34 0.00 0.00 178.44 179.26 1b4m n ASP 79 N -4.40 1.35 -0.95 1.25 9.92 -0.97 -3.90 116.55 118.85 1b4m n ASP 79 Ca -0.13 0.20 0.00 0.00 -0.53 0.00 0.00 54.79 54.33 1b4m n ASP 79 Cb 0.63 -0.47 0.00 0.00 -0.64 0.00 0.00 41.12 40.64 1b4m n ASP 79 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1b4m n GLY 80 N 2.70 0.46 0.00 0.44 0.00 -1.22 -4.65 105.19 102.93 1b4m n GLY 80 Ca -0.07 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.95 0.00 0.00 1.61 0.63 -1.26 -4.92 116.66 111.77 1b4m n ARG 81 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1b4m n ARG 81 Cb 0.49 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.40 1b4m n ARG 81 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1b4m n ASN 82 N 0.00 0.00 -3.68 6.15 4.13 -1.26 -4.83 115.26 115.77 1b4m n ASN 82 Ca 0.00 0.00 -0.14 0.00 1.68 0.00 0.00 54.58 56.12 1b4m n ASN 82 Cb 0.00 0.00 -0.08 0.00 -1.54 0.00 0.00 39.78 38.16 1b4m n ASN 82 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1b4m s VAL 83 N 0.00 0.02 0.96 2.41 1.01 -1.26 -4.81 120.40 118.73 1b4m s VAL 83 Ca 0.00 -0.15 -0.12 0.00 0.00 0.00 0.00 61.98 61.71 1b4m s VAL 83 Cb 0.00 -0.73 0.11 0.00 0.00 0.00 0.00 36.38 35.76 1b4m s VAL 83 CO 0.00 -0.08 0.74 0.29 0.00 0.00 0.00 175.10 176.05 1b4m n LYS 84 N 1.92 -0.61 -3.16 2.72 4.01 -0.76 -1.65 118.16 120.64 1b4m n LYS 84 Ca -0.17 -0.13 0.03 0.00 -0.51 0.00 0.00 58.31 57.53 1b4m n LYS 84 Cb 0.56 -2.09 -0.00 0.00 -0.51 0.00 0.00 35.03 32.99 1b4m n LYS 84 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1b4m s THR 85 N -2.49 -0.94 -0.38 -0.18 2.01 -0.82 -1.95 115.64 110.90 1b4m s THR 85 Ca 0.62 0.00 -0.13 0.00 0.31 0.00 0.00 61.69 62.49 1b4m s THR 85 Cb -0.22 -0.49 0.01 0.00 0.01 0.00 0.00 72.50 71.82 1b4m s THR 85 CO 0.63 0.00 0.25 -0.22 -0.69 0.00 0.00 174.62 174.59 1b4m s LEU 86 N 2.37 4.77 0.28 4.42 2.96 -0.56 0.10 118.68 133.03 1b4m s LEU 86 Ca 0.14 -0.79 -0.23 0.00 -0.22 0.00 0.00 54.13 53.03 1b4m s LEU 86 Cb -0.06 -2.10 -0.09 0.00 0.50 0.00 0.00 46.19 44.43 1b4m s LEU 86 CO -0.17 -0.36 0.85 -0.69 -1.32 0.00 0.00 176.35 174.66 1b4m s VAL 87 N 1.65 4.37 0.22 1.68 1.01 -1.26 -0.98 120.40 127.09 1b4m s VAL 87 Ca 0.04 1.59 -0.23 0.00 0.00 0.00 0.00 61.98 63.38 1b4m s VAL 87 Cb -0.18 -3.94 0.04 0.00 0.00 0.00 0.00 36.38 32.29 1b4m s VAL 87 CO 0.09 0.17 0.79 -0.89 0.00 0.00 0.00 175.10 175.25 1b4m s THR 88 N -1.58 0.00 -0.09 3.92 2.01 0.39 0.14 115.64 120.43 1b4m s THR 88 Ca 0.47 -0.78 -0.09 0.00 0.31 0.00 0.00 61.69 61.60 1b4m s THR 88 Cb -0.18 -1.88 -0.04 0.00 0.01 0.00 0.00 72.50 70.41 1b4m s THR 88 CO 0.22 0.00 0.21 0.26 -0.69 0.00 0.00 174.62 174.63 1b4m s TRP 89 N -3.69 3.62 -0.17 4.92 0.52 -1.26 0.44 118.94 123.32 1b4m s TRP 89 Ca 0.10 0.65 -0.24 0.00 0.02 0.00 0.00 56.10 56.63 1b4m s TRP 89 Cb -0.04 -2.05 -0.23 0.00 -1.15 0.00 0.00 33.47 30.01 1b4m s TRP 89 CO 0.03 0.69 0.47 1.49 0.02 0.00 0.00 176.95 179.65 1b4m h GLU 90 N 5.01 0.02 0.00 4.98 4.22 0.84 -3.46 114.58 126.19 1b4m h GLU 90 Ca -0.53 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 58.87 1b4m h GLU 90 Cb 1.22 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1b4m h GLU 90 CO 0.60 1.02 0.00 0.41 -2.18 0.00 0.00 179.01 178.86 1b4m n GLY 91 N 1.53 -1.17 2.67 1.92 0.00 -1.26 -4.91 105.19 103.98 1b4m n GLY 91 Ca -0.23 0.33 -0.08 0.00 0.00 0.00 0.00 46.02 46.04 1b4m n GLY 91 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1b4m n ASN 92 N -2.88 1.22 -3.62 1.61 0.23 -1.26 -4.94 115.26 105.63 1b4m n ASN 92 Ca 0.00 -2.65 -0.04 0.00 -0.53 0.00 0.00 54.58 51.36 1b4m n ASN 92 Cb 0.00 -0.42 -0.03 0.00 -2.08 0.00 0.00 39.78 37.25 1b4m n ASN 92 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1b4m s THR 93 N -2.93 0.00 -0.72 5.53 -1.32 -1.26 -4.64 115.64 110.30 1b4m s THR 93 Ca 0.27 0.00 -0.24 0.00 -1.21 0.00 0.00 61.69 60.51 1b4m s THR 93 Cb 0.45 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 70.50 1b4m s THR 93 CO 0.03 0.00 1.08 -0.22 -2.21 0.00 0.00 174.62 173.30 1b4m s LEU 94 N -1.69 4.06 -0.27 9.08 2.96 -1.25 0.14 118.68 131.70 1b4m s LEU 94 Ca 0.09 -0.94 -0.11 0.00 -0.22 0.00 0.00 54.13 52.94 1b4m s LEU 94 Cb -0.01 -2.46 -0.05 0.00 0.50 0.00 0.00 46.19 44.17 1b4m s LEU 94 CO -0.05 -1.53 0.20 -0.69 -1.32 0.00 0.00 176.35 172.96 1b4m s VAL 95 N 4.47 5.31 -0.03 1.68 1.01 0.17 -0.88 120.40 132.13 1b4m s VAL 95 Ca 0.27 0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.48 1b4m s VAL 95 Cb -0.13 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.72 1b4m s VAL 95 CO 0.09 0.26 -0.08 0.00 0.00 0.00 0.00 175.10 175.37 1b4m s VAL 97 N 0.36 2.09 -0.47 0.00 1.01 -0.15 -2.49 120.40 120.76 1b4m s VAL 97 Ca -0.06 -1.19 -0.23 0.00 0.00 0.00 0.00 61.98 60.50 1b4m s VAL 97 Cb -0.10 -2.01 0.03 0.00 0.00 0.00 0.00 36.38 34.30 1b4m s VAL 97 CO 0.01 0.33 0.82 -1.58 0.00 0.00 0.00 175.10 174.67 1b4m s GLN 98 N 1.22 3.40 -0.24 2.72 2.00 -1.23 -1.49 119.66 126.04 1b4m s GLN 98 Ca -0.00 -0.13 -0.02 0.00 -2.00 0.00 0.00 55.36 53.21 1b4m s GLN 98 Cb -0.16 -3.96 0.02 0.00 0.80 0.00 0.00 33.01 29.72 1b4m s GLN 98 CO -0.10 -1.19 -0.07 0.21 -0.50 0.00 0.00 175.29 173.65 1b4m s LYS 99 N 3.41 2.92 0.00 1.67 2.20 -0.82 -4.17 119.74 124.94 1b4m s LYS 99 Ca 0.30 -0.92 0.00 0.00 -0.36 0.00 0.00 55.97 54.99 1b4m s LYS 99 Cb -0.12 -2.96 0.00 0.00 -1.51 0.00 0.00 37.83 33.24 1b4m s LYS 99 CO 0.22 -0.36 0.00 0.41 -0.36 0.00 0.00 175.35 175.26 1b4m n GLY 100 N 4.68 -0.34 0.00 5.54 0.00 -1.26 -1.82 105.19 111.99 1b4m n GLY 100 Ca -0.17 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.79 1b4m n GLY 100 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1b4m n GLU 101 N -0.38 0.00 0.00 1.61 2.13 -1.26 -3.27 120.64 119.47 1b4m n GLU 101 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1b4m n GLU 101 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1b4m n GLU 101 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1b4m n LYS 102 N 0.00 0.00 -1.67 5.31 -0.00 -1.26 -5.11 118.16 115.44 1b4m n LYS 102 Ca 0.00 0.00 -0.51 0.00 -0.00 0.00 0.00 58.31 57.80 1b4m n LYS 102 Cb 0.00 -0.26 -0.05 0.00 -0.00 0.00 0.00 35.03 34.71 1b4m n LYS 102 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1b4m n GLU 103 N -1.22 1.74 -3.16 -1.58 -0.58 -1.20 -4.77 120.64 109.85 1b4m n GLU 103 Ca 0.00 0.63 -0.33 0.00 -0.42 0.00 0.00 57.16 57.04 1b4m n GLU 103 Cb 0.00 -2.38 -0.04 0.00 -0.57 0.00 0.00 31.44 28.45 1b4m n GLU 103 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1b4m n ASN 104 N 4.78 5.01 -2.05 1.62 3.02 -1.26 -4.24 115.26 122.14 1b4m n ASN 104 Ca 0.21 -3.49 -0.23 0.00 -0.03 0.00 0.00 54.58 51.04 1b4m n ASN 104 Cb 0.23 -0.89 0.08 0.00 -0.61 0.00 0.00 39.78 38.60 1b4m n ASN 104 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1b4m n ARG 105 N 0.78 2.15 -1.49 3.52 5.12 -1.26 -0.49 116.66 124.99 1b4m n ARG 105 Ca 0.30 -2.37 -0.41 0.00 -1.93 0.00 0.00 57.85 53.44 1b4m n ARG 105 Cb 0.37 -1.93 -0.02 0.00 -1.16 0.00 0.00 32.46 29.72 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 -0.44 3.95 3.77 -0.13 0.00 -1.26 -3.56 105.19 107.52 1b4m n GLY 106 Ca 0.46 -1.47 -0.39 0.00 0.00 0.00 0.00 46.02 44.62 1b4m n GLY 106 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1b4m s TRP 107 N 3.41 3.86 0.13 1.61 -2.14 -1.04 -4.04 118.94 120.74 1b4m s TRP 107 Ca 0.52 1.80 -0.25 0.00 2.66 0.00 0.00 56.10 60.83 1b4m s TRP 107 Cb 0.14 -2.91 0.07 0.00 -3.10 0.00 0.00 33.47 27.68 1b4m s TRP 107 CO -0.04 0.38 0.84 -1.59 -2.66 0.00 0.00 176.95 173.89 1b4m s LYS 108 N -1.50 1.21 0.48 3.25 -2.85 -1.17 -2.24 119.74 116.92 1b4m s LYS 108 Ca 0.43 -0.59 0.04 0.00 -1.00 0.00 0.00 55.97 54.85 1b4m s LYS 108 Cb -0.23 0.46 -0.02 0.00 -2.06 0.00 0.00 37.83 35.99 1b4m s LYS 108 CO 0.28 -0.55 0.14 -0.65 0.10 0.00 0.00 175.35 174.67 1b4m s GLN 109 N -3.42 2.18 0.10 1.78 1.11 -0.06 -3.06 119.66 118.28 1b4m s GLN 109 Ca 0.08 -2.14 0.00 0.00 0.01 0.00 0.00 55.36 53.31 1b4m s GLN 109 Cb -0.02 -1.78 0.00 0.00 -1.01 0.00 0.00 33.01 30.20 1b4m s GLN 109 CO -0.02 -0.32 0.00 0.91 0.01 0.00 0.00 175.29 175.87 1b4m n TRP 110 N -1.33 -0.48 -2.39 0.91 5.03 -1.25 -3.93 117.44 114.00 1b4m n TRP 110 Ca -0.09 0.08 -0.02 0.00 3.03 0.00 0.00 57.50 60.51 1b4m n TRP 110 Cb 0.66 0.16 0.01 0.00 -1.03 0.00 0.00 31.31 31.11 1b4m n TRP 110 CO 0.00 0.00 0.00 0.28 -0.03 0.00 0.00 177.69 177.94 1b4m n VAL 111 N -3.26 -0.36 -3.96 -0.99 0.31 -1.25 -4.31 118.33 104.52 1b4m n VAL 111 Ca 0.00 -0.02 -0.35 0.00 -0.01 0.00 0.00 64.34 63.97 1b4m n VAL 111 Cb 0.13 -2.14 -0.09 0.00 -0.91 0.00 0.00 33.84 30.83 1b4m n VAL 111 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1b4m s GLU 112 N -4.69 4.01 -0.89 5.55 2.56 -0.57 -4.71 118.70 119.97 1b4m s GLU 112 Ca 0.03 -0.32 -0.06 0.00 0.00 0.00 0.00 54.97 54.61 1b4m s GLU 112 Cb -0.01 -3.25 0.00 0.00 2.00 0.00 0.00 34.13 32.87 1b4m s GLU 112 CO 0.06 0.28 0.68 0.41 -0.56 0.00 0.00 175.26 176.12 1b4m n GLY 113 N 3.54 -1.21 4.58 -1.50 0.00 -1.26 -3.46 105.19 105.89 1b4m n GLY 113 Ca -0.16 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 -2.36 0.00 -3.49 1.61 9.92 -1.26 -4.87 116.55 116.09 1b4m n ASP 114 Ca -0.17 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 53.99 1b4m n ASP 114 Cb 0.61 0.00 0.03 0.00 -0.64 0.00 0.00 41.12 41.12 1b4m n ASP 114 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1b4m n LYS 115 N 0.00 0.82 -3.18 -1.24 2.85 -1.22 -4.35 118.16 111.84 1b4m n LYS 115 Ca 0.00 -1.60 -0.20 0.00 -1.05 0.00 0.00 58.31 55.46 1b4m n LYS 115 Cb 0.00 -0.10 -0.04 0.00 -0.65 0.00 0.00 35.03 34.24 1b4m n LYS 115 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 177.40 178.82 1b4m n LEU 116 N 0.00 1.03 -2.75 -5.58 -0.00 -1.26 -1.51 117.00 106.93 1b4m n LEU 116 Ca 0.08 -5.01 -0.35 0.00 -0.00 0.00 0.00 56.01 50.73 1b4m n LEU 116 Cb 0.31 0.58 -0.04 0.00 -0.00 0.00 0.00 43.42 44.26 1b4m n LEU 116 CO 0.20 2.25 0.29 0.00 -0.00 0.00 0.00 177.39 180.12 1b4m n TYR 117 N 0.48 0.27 -2.06 1.47 4.11 -1.26 -4.14 117.16 116.02 1b4m n TYR 117 Ca 0.25 0.64 -0.41 0.00 -0.00 0.00 0.00 57.90 58.37 1b4m n TYR 117 Cb 0.61 -1.27 -0.00 0.00 -0.00 0.00 0.00 39.34 38.68 1b4m n TYR 117 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.86 176.75 1b4m n LEU 118 N 0.98 7.34 -4.67 -3.48 0.00 -1.26 -3.84 117.00 112.06 1b4m n LEU 118 Ca 0.12 -4.65 -0.43 0.00 0.00 0.00 0.00 56.01 51.06 1b4m n LEU 118 Cb 0.07 -1.47 -0.02 0.00 0.00 0.00 0.00 43.42 42.00 1b4m n LEU 118 CO 0.37 1.64 0.94 -0.70 0.00 0.00 0.00 177.39 179.64 1b4m s GLU 119 N 0.34 4.31 0.35 1.96 2.12 -1.17 -2.44 118.70 124.16 1b4m s GLU 119 Ca 0.48 1.51 0.01 0.00 0.36 0.00 0.00 54.97 57.33 1b4m s GLU 119 Cb 0.14 -3.63 -0.00 0.00 0.26 0.00 0.00 34.13 30.90 1b4m s GLU 119 CO -0.04 -0.53 0.44 1.47 -0.54 0.00 0.00 175.26 176.05 1b4m n LEU 120 N 5.82 0.00 -4.32 2.70 -0.00 -1.26 -3.06 117.00 116.88 1b4m n LEU 120 Ca 0.11 -2.99 -0.17 0.00 -0.00 0.00 0.00 56.01 52.96 1b4m n LEU 120 Cb 0.46 2.33 -0.10 0.00 -0.00 0.00 0.00 43.42 46.12 1b4m n LEU 120 CO 0.54 -0.63 -0.42 -0.89 -0.00 0.00 0.00 177.39 175.99 1b4m s THR 121 N -2.98 1.50 -0.30 1.47 2.01 -1.26 -2.12 115.64 113.97 1b4m s THR 121 Ca 0.33 -2.15 -0.12 0.00 0.31 0.00 0.00 61.69 60.06 1b4m s THR 121 Cb -0.00 -2.05 0.18 0.00 0.01 0.00 0.00 72.50 70.64 1b4m s THR 121 CO 0.23 -0.59 1.04 0.00 -0.69 0.00 0.00 174.62 174.61 1b4m n GLY 123 N 5.40 0.00 0.00 0.00 0.00 -1.23 0.11 105.19 109.47 1b4m n GLY 123 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 0.51 0.00 -4.73 1.61 8.00 -1.26 -4.71 116.55 115.97 1b4m n ASP 124 Ca 0.00 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.21 1b4m n ASP 124 Cb 0.00 0.00 0.13 0.00 -0.02 0.00 0.00 41.12 41.23 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 0.00 1.35 -0.27 -1.24 -1.52 0.30 -5.08 119.66 113.20 1b4m s GLN 125 Ca 0.00 0.13 -0.02 0.00 -1.95 0.00 0.00 55.36 53.52 1b4m s GLN 125 Cb 0.00 -1.88 0.12 0.00 -0.22 0.00 0.00 33.01 31.03 1b4m s GLN 125 CO 0.00 -2.03 0.24 0.14 -0.25 0.00 0.00 175.29 173.40 1b4m s VAL 126 N -3.45 -0.31 1.26 1.09 -7.23 -1.26 0.76 120.40 111.25 1b4m s VAL 126 Ca 0.64 -0.44 -0.18 0.00 -1.81 0.00 0.00 61.98 60.19 1b4m s VAL 126 Cb -0.12 -0.90 0.31 0.00 0.56 0.00 0.00 36.38 36.23 1b4m s VAL 126 CO 0.52 -0.45 1.02 0.00 -0.31 0.00 0.00 175.10 175.88 1b4m n ARG 128 N -5.09 0.86 0.00 0.00 3.00 -1.26 -4.01 116.66 110.16 1b4m n ARG 128 Ca 0.09 -3.16 0.00 0.00 -0.00 0.00 0.00 57.85 54.79 1b4m n ARG 128 Cb 0.58 -1.45 0.00 0.00 0.00 0.00 0.00 32.46 31.59 1b4m n ARG 128 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1b4m n GLN 129 N 0.82 0.00 0.00 -0.14 6.02 -1.02 -3.65 117.38 119.40 1b4m n GLN 129 Ca 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 1b4m n GLN 129 Cb 0.61 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.87 1b4m n GLN 129 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1b4m n VAL 130 N -1.57 0.00 -0.51 5.09 0.24 -1.26 -3.72 118.33 116.60 1b4m n VAL 130 Ca 0.00 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.12 1b4m n VAL 130 Cb 0.00 0.00 0.02 0.00 -1.47 0.00 0.00 33.84 32.39 1b4m n VAL 130 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1b4m n PHE 131 N -1.66 -2.48 -3.15 6.34 3.72 -1.26 -0.64 117.46 118.32 1b4m n PHE 131 Ca 0.00 0.01 0.05 0.00 -0.05 0.00 0.00 57.45 57.46 1b4m n PHE 131 Cb 0.00 -0.72 -0.01 0.00 -0.94 0.00 0.00 39.48 37.80 1b4m n PHE 131 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1b4m s LYS 132 N -0.94 0.30 -0.59 -1.08 2.36 -1.26 -4.56 119.74 113.96 1b4m s LYS 132 Ca 0.21 0.50 -0.26 0.00 -2.55 0.00 0.00 55.97 53.87 1b4m s LYS 132 Cb -0.11 0.27 -0.24 0.00 -1.05 0.00 0.00 37.83 36.70 1b4m s LYS 132 CO 0.40 -0.36 1.83 1.17 1.55 0.00 0.00 175.35 179.95 1b4m n LYS 133 N 5.43 0.75 -0.62 4.03 4.81 -1.26 -2.78 118.16 128.52 1b4m n LYS 133 Ca -0.04 -1.61 0.00 0.00 -0.87 0.00 0.00 58.31 55.80 1b4m n LYS 133 Cb 0.53 -3.04 0.00 0.00 0.02 0.00 0.00 35.03 32.54 1b4m n LYS 133 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20