#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b4m n THR 2 N 0.00 0.00 -0.79 2.03 -1.04 -1.26 -5.02 114.28 108.19 1b4m n THR 2 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.93 1b4m n THR 2 Cb 0.00 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.46 1b4m n THR 2 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1b4m n LYS 3 N 0.00 1.54 -3.55 -2.82 0.00 -1.26 -4.73 118.16 107.34 1b4m n LYS 3 Ca 0.00 -0.74 -0.41 0.00 -0.00 0.00 0.00 58.31 57.16 1b4m n LYS 3 Cb 0.00 -1.49 -0.08 0.00 -0.00 0.00 0.00 35.03 33.46 1b4m n LYS 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1b4m s ASP 4 N 1.57 5.75 0.00 -5.58 1.11 -1.26 -5.00 116.67 113.26 1b4m s ASP 4 Ca 0.30 -2.10 0.00 0.00 0.18 0.00 0.00 52.55 50.93 1b4m s ASP 4 Cb 0.17 -2.01 0.00 0.00 1.07 0.00 0.00 42.92 42.14 1b4m s ASP 4 CO -0.02 -0.65 0.00 0.00 1.18 0.00 0.00 175.17 175.68 1b4m n GLN 5 N 4.65 0.00 -1.97 8.23 3.00 -1.26 -5.06 117.38 124.97 1b4m n GLN 5 Ca -0.04 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.92 1b4m n GLN 5 Cb 0.41 0.00 -0.02 0.00 0.00 0.00 0.00 30.24 30.63 1b4m n GLN 5 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1b4m n ASN 6 N 0.00 -1.23 0.00 1.08 3.02 -1.26 -5.02 115.26 111.84 1b4m n ASN 6 Ca 0.00 0.58 0.00 0.00 -0.03 0.00 0.00 54.58 55.13 1b4m n ASN 6 Cb 0.00 -2.83 0.00 0.00 -0.61 0.00 0.00 39.78 36.34 1b4m n ASN 6 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1b4m n GLY 7 N 0.73 1.94 3.60 7.41 0.00 -1.24 -5.06 105.19 112.57 1b4m n GLY 7 Ca -0.19 0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 1b4m n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b4m s THR 8 N 1.37 0.00 -0.23 2.61 2.01 -1.26 -4.31 115.64 115.83 1b4m s THR 8 Ca 0.00 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 61.97 1b4m s THR 8 Cb 0.00 -1.00 0.12 0.00 0.01 0.00 0.00 72.50 71.63 1b4m s THR 8 CO 0.00 0.00 0.30 0.26 -0.69 0.00 0.00 174.62 174.49 1b4m s TRP 9 N -0.76 -0.55 -0.21 4.92 0.52 0.12 0.14 118.94 123.13 1b4m s TRP 9 Ca 0.00 0.49 -0.29 0.00 0.02 0.00 0.00 56.10 56.32 1b4m s TRP 9 Cb -0.02 -0.18 0.00 0.00 -1.15 0.00 0.00 33.47 32.12 1b4m s TRP 9 CO -0.01 -0.68 1.11 -1.21 0.02 0.00 0.00 176.95 176.18 1b4m s GLU 10 N 2.43 4.25 -0.66 4.98 2.02 -0.64 -0.47 118.70 130.62 1b4m s GLU 10 Ca 0.10 1.46 -0.26 0.00 0.02 0.00 0.00 54.97 56.29 1b4m s GLU 10 Cb -0.15 -3.68 -0.12 0.00 0.10 0.00 0.00 34.13 30.27 1b4m s GLU 10 CO -0.15 -0.66 2.43 -0.12 0.02 0.00 0.00 175.26 176.78 1b4m n MET 11 N 6.42 0.75 0.14 1.61 0.00 -1.25 -2.89 117.12 121.88 1b4m n MET 11 Ca 0.13 -0.30 0.10 0.00 -0.00 0.00 0.00 57.70 57.63 1b4m n MET 11 Cb 0.46 -3.28 0.51 0.00 0.00 0.00 0.00 33.22 30.90 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 8.74 0.14 -3.58 2.12 2.13 0.13 -4.78 120.64 125.53 1b4m n GLU 12 Ca 0.44 0.57 -0.05 0.00 0.66 0.00 0.00 57.16 58.77 1b4m n GLU 12 Cb 0.45 -1.89 -0.02 0.00 0.27 0.00 0.00 31.44 30.25 1b4m n GLU 12 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1b4m s SER 13 N -3.97 -0.18 -0.05 4.31 0.15 -0.27 -4.94 113.70 108.75 1b4m s SER 13 Ca -0.00 0.04 0.01 0.00 0.70 0.00 0.00 55.95 56.70 1b4m s SER 13 Cb 0.06 0.18 0.02 0.00 -1.71 0.00 0.00 66.02 64.58 1b4m s SER 13 CO 0.23 -0.28 -0.05 0.54 1.20 0.00 0.00 173.24 174.87 1b4m s ASN 14 N -2.03 1.04 0.00 5.45 4.22 -1.26 -2.05 114.94 120.30 1b4m s ASN 14 Ca 0.08 -0.14 0.00 0.00 -2.14 0.00 0.00 52.86 50.65 1b4m s ASN 14 Cb -0.01 -0.49 0.00 0.00 1.28 0.00 0.00 41.25 42.04 1b4m s ASN 14 CO -0.05 -0.05 0.00 -0.62 -2.04 0.00 0.00 177.10 174.34 1b4m n GLU 15 N 4.04 0.00 0.00 3.55 -0.58 -1.26 -4.97 120.64 121.43 1b4m n GLU 15 Ca -0.24 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.50 1b4m n GLU 15 Cb 0.51 -0.41 0.00 0.00 -0.57 0.00 0.00 31.44 30.97 1b4m n GLU 15 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1b4m n ASN 16 N -2.36 0.00 0.00 1.62 3.02 -1.26 -4.92 115.26 111.36 1b4m n ASN 16 Ca 0.00 0.38 0.00 0.00 -0.03 0.00 0.00 54.58 54.93 1b4m n ASN 16 Cb 0.00 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 38.72 1b4m n ASN 16 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1b4m n PHE 17 N -1.92 0.00 0.09 3.10 7.35 -1.26 -3.66 117.46 121.16 1b4m n PHE 17 Ca 0.00 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.64 1b4m n PHE 17 Cb 0.00 0.00 0.01 0.00 0.35 0.00 0.00 39.48 39.84 1b4m n PHE 17 CO 0.00 0.00 0.00 1.05 -0.76 0.00 0.00 176.76 177.05 1b4m h GLU 18 N 0.00 0.03 0.00 -4.13 9.09 -1.92 -2.91 114.58 114.75 1b4m h GLU 18 Ca 0.00 -0.04 -0.03 0.00 0.05 0.00 0.00 59.36 59.34 1b4m h GLU 18 Cb 0.00 0.01 -0.00 0.00 -1.65 0.00 0.00 28.75 27.11 1b4m h GLU 18 CO 0.00 0.85 -0.16 0.78 0.05 0.00 0.00 179.01 180.53 1b4m h GLY 19 N 2.38 0.00 0.64 1.06 0.00 -1.95 -0.57 103.07 104.63 1b4m h GLY 19 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.25 1b4m h GLY 19 CO 0.11 0.00 -0.23 -1.82 0.00 0.00 0.00 176.54 174.60 1b4m h TYR 20 N 0.00 0.37 -0.01 5.60 3.20 -1.79 -1.25 116.97 123.09 1b4m h TYR 20 Ca -0.00 -0.15 0.00 0.00 3.14 0.00 0.00 58.73 61.72 1b4m h TYR 20 Cb 0.64 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.85 1b4m h TYR 20 CO 0.00 0.85 0.00 0.52 -1.64 0.00 0.00 178.16 177.89 1b4m h MET 21 N -0.22 0.00 0.00 1.82 2.86 -1.30 0.34 114.93 118.43 1b4m h MET 21 Ca -0.01 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.55 1b4m h MET 21 Cb 0.86 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.51 1b4m h MET 21 CO 0.05 0.00 -0.39 0.87 1.06 0.00 0.00 176.91 178.50 1b4m h LYS 22 N 0.00 0.00 0.00 1.72 1.57 -1.02 -0.62 116.57 118.22 1b4m h LYS 22 Ca 0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 1b4m h LYS 22 Cb 0.01 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1b4m h LYS 22 CO -0.00 0.39 -0.52 0.00 -0.57 0.00 0.00 179.45 178.75 1b4m h ALA 23 N 1.61 1.06 -0.26 3.86 0.00 0.32 -2.47 119.26 123.38 1b4m h ALA 23 Ca -0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1b4m h ALA 23 Cb 1.28 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1b4m h ALA 23 CO 0.05 0.65 0.00 1.47 0.00 0.00 0.00 179.25 181.42 1b4m n LEU 24 N -3.79 3.89 -0.72 0.00 -0.00 -1.11 -4.69 117.00 110.57 1b4m n LEU 24 Ca -0.01 -3.03 -0.00 0.00 -0.00 0.00 0.00 56.01 52.97 1b4m n LEU 24 Cb 0.55 -0.55 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1b4m n LEU 24 CO 0.40 0.68 -0.01 -0.90 -0.00 0.00 0.00 177.39 177.56 1b4m n ASP 25 N -0.52 -0.14 -0.11 1.45 5.68 -0.93 -4.88 116.55 117.10 1b4m n ASP 25 Ca 0.21 0.00 -0.18 0.00 -0.50 0.00 0.00 54.79 54.33 1b4m n ASP 25 Cb 0.90 -0.04 -0.12 0.00 -1.14 0.00 0.00 41.12 40.72 1b4m n ASP 25 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1b4m n ILE 26 N 0.35 1.53 -2.44 2.12 0.13 -0.27 -4.99 119.36 115.77 1b4m n ILE 26 Ca -0.00 -0.59 0.00 0.00 -1.10 0.00 0.00 62.75 61.06 1b4m n ILE 26 Cb 0.01 -1.44 0.00 0.00 -0.84 0.00 0.00 39.64 37.37 1b4m n ILE 26 CO 0.00 0.00 0.00 -0.67 2.80 0.00 0.00 176.55 178.68 1b4m n ASP 27 N -3.28 0.00 -2.68 9.51 -0.08 -1.26 -5.06 116.55 113.70 1b4m n ASP 27 Ca -0.44 0.00 -0.08 0.00 -1.51 0.00 0.00 54.79 52.76 1b4m n ASP 27 Cb 1.00 0.00 0.05 0.00 2.34 0.00 0.00 41.12 44.51 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 0.47 0.00 -0.67 3.72 -1.26 -4.78 117.46 114.94 1b4m n PHE 28 Ca 0.00 -2.57 0.00 0.00 -0.05 0.00 0.00 57.45 54.83 1b4m n PHE 28 Cb 0.00 0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.55 1b4m n PHE 28 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1b4m n ALA 29 N -0.22 0.00 -2.08 4.37 0.00 -1.26 -5.06 120.51 116.26 1b4m n ALA 29 Ca 0.06 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.52 1b4m n ALA 29 Cb 0.82 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.29 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 0.08 -1.28 0.00 -1.04 -1.26 -4.79 114.28 105.99 1b4m n THR 30 Ca 0.00 -0.34 0.08 0.00 -2.04 0.00 0.00 64.05 61.75 1b4m n THR 30 Cb 0.00 0.59 0.17 0.00 -1.82 0.00 0.00 70.33 69.27 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 0.06 1.47 -0.21 -2.82 0.00 -1.26 -4.62 116.66 109.28 1b4m n ARG 31 Ca 0.02 -2.88 0.06 0.00 -0.00 0.00 0.00 57.85 55.05 1b4m n ARG 31 Cb 0.80 -1.57 0.16 0.00 -0.00 0.00 0.00 32.46 31.85 1b4m n ARG 31 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1b4m n LYS 32 N -1.28 2.60 -2.70 2.89 2.85 -1.26 -4.54 118.16 116.72 1b4m n LYS 32 Ca 0.18 -2.31 -0.05 0.00 -1.05 0.00 0.00 58.31 55.08 1b4m n LYS 32 Cb 0.68 -1.45 0.05 0.00 -0.65 0.00 0.00 35.03 33.66 1b4m n LYS 32 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 177.40 177.79 1b4m n ILE 33 N -0.40 0.00 0.00 0.58 -6.64 -1.26 -4.95 119.36 106.69 1b4m n ILE 33 Ca 0.13 -0.78 0.00 0.00 -1.77 0.00 0.00 62.75 60.34 1b4m n ILE 33 Cb 0.59 1.03 0.00 0.00 -1.44 0.00 0.00 39.64 39.81 1b4m n ILE 33 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1b4m n ALA 34 N 2.08 0.00 0.00 -1.28 0.00 -1.26 -4.99 120.51 115.06 1b4m n ALA 34 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1b4m n ALA 34 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 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 0.00 0.00 0.00 0.00 0.31 -1.26 -4.19 118.33 113.18 1b4m n VAL 35 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1b4m n VAL 35 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 -3.40 0.00 -3.32 5.55 0.00 -1.26 -4.95 116.66 109.29 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 -0.08 0.00 0.00 0.00 0.00 32.46 32.38 1b4m n ARG 36 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.63 177.15 1b4m s LEU 37 N 0.00 0.40 -0.44 6.15 2.34 -1.26 -4.87 118.68 121.00 1b4m s LEU 37 Ca 0.00 -2.16 -0.01 0.00 0.06 0.00 0.00 54.13 52.02 1b4m s LEU 37 Cb 0.00 0.24 0.00 0.00 -0.56 0.00 0.00 46.19 45.87 1b4m s LEU 37 CO 0.00 -0.22 0.37 0.41 -1.06 0.00 0.00 176.35 175.86 1b4m n THR 38 N 3.63 -1.84 -2.71 5.48 -1.04 -1.26 -2.88 114.28 113.66 1b4m n THR 38 Ca 0.18 -0.13 -0.41 0.00 -2.04 0.00 0.00 64.05 61.65 1b4m n THR 38 Cb 0.46 -3.12 -0.05 0.00 -1.82 0.00 0.00 70.33 65.80 1b4m n THR 38 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1b4m s GLN 39 N -4.74 4.71 -0.20 -2.82 0.74 -1.26 -4.06 119.66 112.02 1b4m s GLN 39 Ca 0.06 1.49 -0.07 0.00 0.05 0.00 0.00 55.36 56.88 1b4m s GLN 39 Cb -0.02 -3.36 0.09 0.00 1.10 0.00 0.00 33.01 30.82 1b4m s GLN 39 CO 0.26 0.23 0.43 0.99 -0.55 0.00 0.00 175.29 176.65 1b4m s THR 40 N -0.16 -0.64 0.12 -0.34 2.01 -1.26 -3.96 115.64 111.42 1b4m s THR 40 Ca 0.47 0.16 0.03 0.00 0.31 0.00 0.00 61.69 62.65 1b4m s THR 40 Cb -0.24 -0.68 -0.04 0.00 0.01 0.00 0.00 72.50 71.55 1b4m s THR 40 CO 0.31 0.07 0.16 -0.75 -0.69 0.00 0.00 174.62 173.72 1b4m s LYS 41 N 2.57 3.09 0.04 4.92 2.36 0.38 -0.01 119.74 133.08 1b4m s LYS 41 Ca -0.02 -0.71 -0.01 0.00 -2.55 0.00 0.00 55.97 52.69 1b4m s LYS 41 Cb -0.12 -2.79 -0.03 0.00 -1.05 0.00 0.00 37.83 33.84 1b4m s LYS 41 CO -0.13 0.53 -0.03 0.42 1.55 0.00 0.00 175.35 177.69 1b4m s ILE 42 N -1.62 0.18 -0.02 5.43 1.09 0.54 0.16 121.20 126.96 1b4m s ILE 42 Ca 0.32 -1.51 0.05 0.00 -1.10 0.00 0.00 60.65 58.41 1b4m s ILE 42 Cb -0.11 -1.10 -0.01 0.00 -1.06 0.00 0.00 42.46 40.18 1b4m s ILE 42 CO 0.25 -0.83 -0.16 -0.51 -0.10 0.00 0.00 174.94 173.59 1b4m s ILE 43 N -3.09 1.29 -0.39 2.92 2.07 -1.26 0.15 121.20 122.88 1b4m s ILE 43 Ca -0.01 -0.67 0.01 0.00 -1.41 0.00 0.00 60.65 58.57 1b4m s ILE 43 Cb 0.02 -1.09 0.15 0.00 0.13 0.00 0.00 42.46 41.66 1b4m s ILE 43 CO -0.07 0.37 0.25 -0.69 -1.91 0.00 0.00 174.94 172.89 1b4m s VAL 44 N -0.19 0.53 -0.50 4.00 1.01 -1.17 -3.63 120.40 120.45 1b4m s VAL 44 Ca 0.02 -2.15 -0.16 0.00 0.00 0.00 0.00 61.98 59.69 1b4m s VAL 44 Cb -0.08 -1.38 0.10 0.00 0.00 0.00 0.00 36.38 35.01 1b4m s VAL 44 CO 0.00 -1.02 0.46 -1.58 0.00 0.00 0.00 175.10 172.96 1b4m s GLN 45 N 0.64 2.99 0.03 2.72 -0.44 -1.26 -0.67 119.66 123.67 1b4m s GLN 45 Ca 0.21 -1.47 0.22 0.00 -2.50 0.00 0.00 55.36 51.82 1b4m s GLN 45 Cb -0.17 -4.20 -0.04 0.00 -1.64 0.00 0.00 33.01 26.95 1b4m s GLN 45 CO -0.04 -1.17 0.94 -3.47 0.50 0.00 0.00 175.29 172.05 1b4m n ASP 46 N 5.29 0.61 0.00 6.67 2.03 -0.60 -4.86 116.55 125.69 1b4m n ASP 46 Ca -0.13 -0.34 0.00 0.00 0.52 0.00 0.00 54.79 54.85 1b4m n ASP 46 Cb 0.42 0.97 0.00 0.00 -0.72 0.00 0.00 41.12 41.80 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 1.38 0.42 0.06 0.27 0.00 -1.26 -4.78 105.19 101.28 1b4m n GLY 47 Ca 0.02 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 0.62 -4.15 1.61 8.00 -1.26 -4.51 116.55 116.85 1b4m n ASP 48 Ca 0.00 0.18 -0.39 0.00 0.71 0.00 0.00 54.79 55.29 1b4m n ASP 48 Cb 0.00 -0.06 -0.08 0.00 -0.02 0.00 0.00 41.12 40.95 1b4m n ASP 48 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1b4m s ASN 49 N -3.96 5.55 -0.45 -2.24 0.02 -1.26 -0.40 114.94 112.20 1b4m s ASN 49 Ca 0.09 -2.56 -0.08 0.00 -1.02 0.00 0.00 52.86 49.29 1b4m s ASN 49 Cb 0.14 -1.93 0.11 0.00 0.02 0.00 0.00 41.25 39.59 1b4m s ASN 49 CO 0.68 -0.48 0.30 0.12 0.02 0.00 0.00 177.10 177.74 1b4m s PHE 50 N 0.38 3.44 -0.73 2.20 5.36 -1.16 -1.56 117.98 125.91 1b4m s PHE 50 Ca 0.14 -1.92 -0.02 0.00 -0.96 0.00 0.00 56.93 54.17 1b4m s PHE 50 Cb -0.20 -3.33 0.18 0.00 -0.34 0.00 0.00 43.02 39.33 1b4m s PHE 50 CO -0.04 -0.96 0.57 0.15 -1.46 0.00 0.00 175.22 173.48 1b4m s LYS 51 N 1.33 2.82 -0.02 10.12 1.02 0.16 -3.45 119.74 131.72 1b4m s LYS 51 Ca 0.06 -2.87 -0.30 0.00 0.02 0.00 0.00 55.97 52.88 1b4m s LYS 51 Cb -0.25 -3.79 -0.07 0.00 -0.52 0.00 0.00 37.83 33.20 1b4m s LYS 51 CO -0.01 -1.22 1.72 0.99 -0.92 0.00 0.00 175.35 175.92 1b4m s THR 52 N -0.65 3.41 0.11 2.17 2.01 -1.24 -3.06 115.64 118.40 1b4m s THR 52 Ca 0.21 0.53 0.08 0.00 0.31 0.00 0.00 61.69 62.83 1b4m s THR 52 Cb -0.14 -3.34 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 1b4m s THR 52 CO -0.08 -0.04 -0.20 -1.59 -0.69 0.00 0.00 174.62 172.02 1b4m s LYS 53 N 4.00 1.13 0.55 4.92 -2.85 0.39 0.16 119.74 128.04 1b4m s LYS 53 Ca 0.77 -1.19 0.07 0.00 -1.00 0.00 0.00 55.97 54.62 1b4m s LYS 53 Cb -0.36 -1.34 0.07 0.00 -2.06 0.00 0.00 37.83 34.13 1b4m s LYS 53 CO 0.32 0.31 0.76 -0.08 0.10 0.00 0.00 175.35 176.76 1b4m s THR 54 N -1.31 2.43 -0.17 3.79 -1.32 -1.26 0.20 115.64 118.00 1b4m s THR 54 Ca 0.07 -0.91 0.17 0.00 -1.21 0.00 0.00 61.69 59.82 1b4m s THR 54 Cb -0.09 -2.52 0.37 0.00 -1.51 0.00 0.00 72.50 68.75 1b4m s THR 54 CO 0.04 0.00 1.21 -3.20 -2.21 0.00 0.00 174.62 170.47 1b4m n ASN 55 N -2.24 0.20 -4.76 8.08 2.85 0.98 -4.84 115.26 115.54 1b4m n ASN 55 Ca 0.13 -2.06 -0.29 0.00 -0.11 0.00 0.00 54.58 52.24 1b4m n ASN 55 Cb 0.61 -0.00 0.13 0.00 1.24 0.00 0.00 39.78 41.76 1b4m n ASN 55 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1b4m s SER 56 N -2.19 3.54 0.00 1.20 1.04 -1.26 -4.63 113.70 111.41 1b4m s SER 56 Ca 0.19 1.18 0.22 0.00 0.48 0.00 0.00 55.95 58.01 1b4m s SER 56 Cb 0.31 -1.83 0.10 0.00 0.10 0.00 0.00 66.02 64.71 1b4m s SER 56 CO -0.09 -2.55 1.13 0.41 0.98 0.00 0.00 173.24 173.12 1b4m n THR 57 N -3.80 0.00 -0.03 2.02 -1.04 -1.14 -4.57 114.28 105.72 1b4m n THR 57 Ca 0.06 -0.42 -0.06 0.00 -2.04 0.00 0.00 64.05 61.60 1b4m n THR 57 Cb 0.57 1.38 -0.02 0.00 -1.82 0.00 0.00 70.33 70.44 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 0.75 0.00 -3.77 -1.42 -1.74 -1.26 -5.02 117.46 104.99 1b4m n PHE 58 Ca 0.11 0.00 -0.20 0.00 -0.56 0.00 0.00 57.45 56.80 1b4m n PHE 58 Cb 0.51 -0.31 -0.17 0.00 1.52 0.00 0.00 39.48 41.03 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 -2.48 0.27 -0.33 3.97 0.52 -1.26 -5.08 118.95 114.56 1b4m s ARG 59 Ca -0.17 0.20 0.02 0.00 -0.52 0.00 0.00 55.73 55.26 1b4m s ARG 59 Cb 0.03 -0.67 0.10 0.00 0.52 0.00 0.00 34.95 34.93 1b4m s ARG 59 CO 0.24 -0.27 0.09 1.21 0.02 0.00 0.00 175.30 176.59 1b4m s ASN 60 N 1.79 4.35 -0.02 0.23 2.47 -1.26 -4.49 114.94 118.01 1b4m s ASN 60 Ca 0.01 -1.94 -0.03 0.00 0.42 0.00 0.00 52.86 51.33 1b4m s ASN 60 Cb -0.12 -1.22 -0.01 0.00 -1.45 0.00 0.00 41.25 38.44 1b4m s ASN 60 CO -0.03 -0.39 -0.05 0.00 -3.72 0.00 0.00 177.10 172.90 1b4m n TYR 61 N 4.50 0.00 0.00 0.43 4.19 -1.26 -5.07 117.16 119.95 1b4m n TYR 61 Ca 0.01 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.22 1b4m n TYR 61 Cb 0.41 -0.07 0.00 0.00 0.49 0.00 0.00 39.34 40.17 1b4m n TYR 61 CO 0.00 0.00 0.00 -0.40 0.91 0.00 0.00 176.86 177.37 1b4m n ASP 62 N -2.87 0.00 -2.61 2.98 5.75 -1.26 -4.81 116.55 113.73 1b4m n ASP 62 Ca -0.02 0.00 -0.31 0.00 -0.01 0.00 0.00 54.79 54.45 1b4m n ASP 62 Cb 0.08 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.18 1b4m n ASP 62 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1b4m n LEU 63 N -0.15 5.57 -4.56 -2.12 7.94 0.43 -4.97 117.00 119.14 1b4m n LEU 63 Ca 0.00 -5.10 -0.13 0.00 -1.11 0.00 0.00 56.01 49.67 1b4m n LEU 63 Cb 0.00 -0.64 -0.08 0.00 0.53 0.00 0.00 43.42 43.23 1b4m n LEU 63 CO 0.00 2.09 1.22 -0.67 -1.11 0.00 0.00 177.39 178.92 1b4m n ASP 64 N -0.50 1.72 -2.79 1.96 2.03 -1.26 -3.59 116.55 114.12 1b4m n ASP 64 Ca 0.44 -1.54 -0.12 0.00 0.52 0.00 0.00 54.79 54.08 1b4m n ASP 64 Cb 0.53 -1.65 -0.03 0.00 -0.72 0.00 0.00 41.12 39.25 1b4m n ASP 64 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1b4m n PHE 65 N 18.62 0.26 -3.51 -0.67 3.01 -1.22 -5.03 117.46 128.92 1b4m n PHE 65 Ca 0.47 -1.10 -0.00 0.00 1.01 0.00 0.00 57.45 57.83 1b4m n PHE 65 Cb 0.43 -0.07 -0.05 0.00 -0.01 0.00 0.00 39.48 39.79 1b4m n PHE 65 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1b4m s THR 66 N -2.01 -0.51 -0.42 4.37 2.01 -1.26 -2.98 115.64 114.84 1b4m s THR 66 Ca 0.05 0.00 -0.40 0.00 0.31 0.00 0.00 61.69 61.65 1b4m s THR 66 Cb 0.00 -1.00 -0.17 0.00 0.01 0.00 0.00 72.50 71.34 1b4m s THR 66 CO 0.03 0.00 1.36 0.52 -0.69 0.00 0.00 174.62 175.84 1b4m n VAL 67 N 4.84 0.00 -1.48 3.82 0.31 0.46 -0.22 118.33 126.07 1b4m n VAL 67 Ca -0.12 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.17 1b4m n VAL 67 Cb 0.53 -0.42 -0.01 0.00 -0.91 0.00 0.00 33.84 33.02 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 3.41 0.50 0.19 2.92 0.00 0.18 -4.89 105.19 107.50 1b4m n GLY 68 Ca 0.26 -0.83 -0.02 0.00 0.00 0.00 0.00 46.02 45.43 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 1.31 -5.54 1.61 2.07 -0.82 -3.48 116.25 111.41 1b4m h VAL 69 Ca -0.08 -1.54 -0.07 0.00 0.82 0.00 0.00 66.70 65.83 1b4m h VAL 69 Cb 0.56 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 1b4m h VAL 69 CO 0.11 0.46 -0.34 1.21 0.02 0.00 0.00 177.57 179.03 1b4m n GLU 70 N -4.02 -1.74 -2.88 1.57 4.07 -1.26 -4.90 120.64 111.48 1b4m n GLU 70 Ca -0.02 1.64 -0.42 0.00 -0.06 0.00 0.00 57.16 58.31 1b4m n GLU 70 Cb 0.48 -5.20 -0.04 0.00 -0.06 0.00 0.00 31.44 26.62 1b4m n GLU 70 CO 0.00 0.00 0.00 0.12 -0.06 0.00 0.00 177.13 177.19 1b4m s PHE 71 N -2.77 3.40 -0.86 4.31 5.36 -0.91 -4.91 117.98 121.59 1b4m s PHE 71 Ca 0.11 1.25 -0.04 0.00 -0.96 0.00 0.00 56.93 57.28 1b4m s PHE 71 Cb -0.03 -3.03 0.11 0.00 -0.34 0.00 0.00 43.02 39.74 1b4m s PHE 71 CO 0.78 -0.27 2.52 -0.25 -1.46 0.00 0.00 175.22 176.54 1b4m n ASP 72 N 5.39 7.23 -0.41 6.13 8.00 -1.25 0.11 116.55 141.74 1b4m n ASP 72 Ca 0.05 -3.24 -0.06 0.00 0.71 0.00 0.00 54.79 52.25 1b4m n ASP 72 Cb 0.48 -1.27 -0.01 0.00 -0.02 0.00 0.00 41.12 40.30 1b4m n ASP 72 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1b4m n GLU 73 N 1.10 0.00 -2.28 -1.24 2.13 0.75 -4.60 120.64 116.51 1b4m n GLU 73 Ca 0.55 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.97 1b4m n GLU 73 Cb 0.39 -0.15 0.03 0.00 0.27 0.00 0.00 31.44 31.99 1b4m n GLU 73 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 1b4m n HIS 74 N 0.76 2.92 -0.64 4.31 -0.00 -1.26 -3.17 115.22 118.13 1b4m n HIS 74 Ca 0.05 -2.48 -0.32 0.00 0.46 0.00 0.00 57.72 55.44 1b4m n HIS 74 Cb -0.00 -1.16 0.19 0.00 -0.12 0.00 0.00 29.99 28.90 1b4m n HIS 74 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 1b4m n THR 75 N -0.32 0.00 0.00 3.57 -2.24 -1.24 -4.83 114.28 109.22 1b4m n THR 75 Ca 0.50 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 1b4m n THR 75 Cb 0.26 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 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 -2.49 0.00 0.32 -0.78 2.85 -1.26 -3.86 118.16 112.94 1b4m n LYS 76 Ca 0.01 0.00 0.20 0.00 -1.05 0.00 0.00 58.31 57.47 1b4m n LYS 76 Cb 0.61 0.00 1.11 0.00 -0.65 0.00 0.00 35.03 36.11 1b4m n LYS 76 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 1b4m h GLY 77 N 0.00 0.00 -3.01 2.58 0.00 -2.00 -3.30 103.07 97.34 1b4m h GLY 77 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 1b4m h GLY 77 CO 0.00 0.00 -0.12 -0.10 0.00 0.00 0.00 176.54 176.32 1b4m n LEU 78 N -3.29 -0.57 0.10 3.11 7.94 -1.26 -5.05 117.00 117.98 1b4m n LEU 78 Ca -0.03 -1.58 0.00 0.00 -1.11 0.00 0.00 56.01 53.30 1b4m n LEU 78 Cb 0.09 0.39 0.00 0.00 0.53 0.00 0.00 43.42 44.43 1b4m n LEU 78 CO 0.23 1.18 0.00 0.47 -1.11 0.00 0.00 177.39 178.15 1b4m n ASP 79 N -0.44 -1.78 -2.59 1.96 9.92 -1.24 -4.93 116.55 117.45 1b4m n ASP 79 Ca -0.09 0.61 -0.10 0.00 -0.53 0.00 0.00 54.79 54.68 1b4m n ASP 79 Cb 0.59 1.90 0.05 0.00 -0.64 0.00 0.00 41.12 43.02 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 -1.23 -0.34 0.09 0.44 0.00 -1.26 -4.75 105.19 98.14 1b4m n GLY 80 Ca 0.00 0.21 -0.01 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.66 1.54 -2.80 1.61 0.63 -1.25 -4.84 116.66 108.89 1b4m n ARG 81 Ca -0.07 -0.09 -0.03 0.00 -0.92 0.00 0.00 57.85 56.75 1b4m n ARG 81 Cb 0.58 0.01 0.01 0.00 0.45 0.00 0.00 32.46 33.51 1b4m n ARG 81 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1b4m s ASN 82 N -1.08 -1.21 0.17 6.15 3.04 -1.24 -3.74 114.94 117.03 1b4m s ASN 82 Ca 0.01 -1.31 0.09 0.00 0.04 0.00 0.00 52.86 51.68 1b4m s ASN 82 Cb -0.00 1.58 -0.04 0.00 -1.54 0.00 0.00 41.25 41.25 1b4m s ASN 82 CO 0.00 -0.06 -0.18 -0.69 -3.04 0.00 0.00 177.10 173.13 1b4m s VAL 83 N 1.05 1.82 -1.06 -5.21 1.01 -1.19 -4.86 120.40 111.96 1b4m s VAL 83 Ca 0.27 -1.93 -0.18 0.00 0.00 0.00 0.00 61.98 60.14 1b4m s VAL 83 Cb 0.02 -1.85 0.13 0.00 0.00 0.00 0.00 36.38 34.67 1b4m s VAL 83 CO -0.07 -0.32 1.33 -0.54 0.00 0.00 0.00 175.10 175.50 1b4m s LYS 84 N -2.82 3.78 -1.04 2.72 3.01 -1.15 -0.17 119.74 124.06 1b4m s LYS 84 Ca 0.16 -1.94 -0.16 0.00 -1.01 0.00 0.00 55.97 53.02 1b4m s LYS 84 Cb -0.06 -5.09 0.16 0.00 -1.01 0.00 0.00 37.83 31.84 1b4m s LYS 84 CO 0.07 -1.88 1.23 0.99 0.51 0.00 0.00 175.35 176.27 1b4m s THR 85 N 2.84 4.95 0.37 2.17 2.01 0.31 0.15 115.64 128.44 1b4m s THR 85 Ca 0.40 -2.13 -0.24 0.00 0.31 0.00 0.00 61.69 60.03 1b4m s THR 85 Cb -0.03 -4.81 -0.10 0.00 0.01 0.00 0.00 72.50 67.57 1b4m s THR 85 CO -0.05 -1.52 0.95 -0.22 -0.69 0.00 0.00 174.62 173.09 1b4m s LEU 86 N 1.95 4.15 0.01 4.42 0.20 -1.19 -2.14 118.68 126.10 1b4m s LEU 86 Ca 0.36 1.78 0.02 0.00 0.69 0.00 0.00 54.13 56.98 1b4m s LEU 86 Cb -0.04 -4.26 -0.01 0.00 -0.43 0.00 0.00 46.19 41.44 1b4m s LEU 86 CO -0.06 -0.21 -0.07 0.54 -0.29 0.00 0.00 176.35 176.26 1b4m s VAL 87 N -1.87 0.57 0.14 1.68 0.11 -1.26 -2.39 120.40 117.38 1b4m s VAL 87 Ca 0.56 -0.57 -0.25 0.00 -2.93 0.00 0.00 61.98 58.78 1b4m s VAL 87 Cb -0.14 -0.53 0.07 0.00 -1.53 0.00 0.00 36.38 34.24 1b4m s VAL 87 CO 0.19 -0.02 0.97 0.28 -3.33 0.00 0.00 175.10 173.19 1b4m s THR 88 N -0.56 0.00 0.12 5.04 -1.32 0.50 0.48 115.64 119.90 1b4m s THR 88 Ca -0.01 -0.62 -0.12 0.00 -1.21 0.00 0.00 61.69 59.73 1b4m s THR 88 Cb -0.05 -1.95 -0.06 0.00 -1.51 0.00 0.00 72.50 68.93 1b4m s THR 88 CO 0.00 0.00 0.49 0.26 -2.21 0.00 0.00 174.62 173.16 1b4m s TRP 89 N -3.24 3.60 -0.13 9.09 0.52 -1.26 0.04 118.94 127.56 1b4m s TRP 89 Ca 0.12 0.95 -0.06 0.00 0.02 0.00 0.00 56.10 57.13 1b4m s TRP 89 Cb -0.01 -2.28 -0.03 0.00 -1.15 0.00 0.00 33.47 30.00 1b4m s TRP 89 CO 0.02 0.46 -0.08 1.49 0.02 0.00 0.00 176.95 178.86 1b4m h GLU 90 N 3.62 0.00 0.00 4.98 4.22 0.82 -3.45 114.58 124.77 1b4m h GLU 90 Ca -0.49 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.95 1b4m h GLU 90 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1b4m h GLU 90 CO 0.66 0.05 0.00 0.41 -2.18 0.00 0.00 179.01 177.95 1b4m n GLY 91 N 1.68 -1.42 0.06 1.92 0.00 -1.26 -4.98 105.19 101.19 1b4m n GLY 91 Ca -0.05 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.37 1b4m n GLY 91 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1b4m n ASN 92 N 0.00 -0.08 0.00 1.61 5.15 -1.26 -4.99 115.26 115.69 1b4m n ASN 92 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1b4m n ASN 92 Cb 0.00 -0.04 0.00 0.00 -0.53 0.00 0.00 39.78 39.21 1b4m n ASN 92 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 1b4m n THR 93 N 0.29 0.00 -3.07 -0.44 5.66 -1.26 -4.88 114.28 110.58 1b4m n THR 93 Ca 0.00 0.00 -0.45 0.00 -3.05 0.00 0.00 64.05 60.55 1b4m n THR 93 Cb 0.00 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.74 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 5.34 0.22 1.09 2.96 -1.25 0.14 118.68 127.18 1b4m s LEU 94 Ca 0.00 -1.58 -0.07 0.00 -0.22 0.00 0.00 54.13 52.26 1b4m s LEU 94 Cb 0.00 -2.32 -0.06 0.00 0.50 0.00 0.00 46.19 44.31 1b4m s LEU 94 CO 0.00 -1.10 0.50 -0.69 -1.32 0.00 0.00 176.35 173.73 1b4m s VAL 95 N 2.63 5.03 -0.02 1.68 1.01 0.11 0.59 120.40 131.43 1b4m s VAL 95 Ca 0.16 0.23 -0.28 0.00 0.00 0.00 0.00 61.98 62.09 1b4m s VAL 95 Cb -0.19 -3.65 0.10 0.00 0.00 0.00 0.00 36.38 32.64 1b4m s VAL 95 CO 0.03 -0.10 0.85 0.00 0.00 0.00 0.00 175.10 175.88 1b4m s VAL 97 N -2.66 -0.59 -0.77 0.00 -7.23 -1.00 -4.57 120.40 103.58 1b4m s VAL 97 Ca 0.02 0.07 -0.26 0.00 -1.81 0.00 0.00 61.98 59.99 1b4m s VAL 97 Cb -0.01 -0.70 0.02 0.00 0.56 0.00 0.00 36.38 36.25 1b4m s VAL 97 CO -0.06 -0.02 1.41 -1.58 -0.31 0.00 0.00 175.10 174.54 1b4m s GLN 98 N 2.55 3.15 -1.12 4.82 2.00 -1.11 -3.14 119.66 126.82 1b4m s GLN 98 Ca 0.05 -0.26 -0.18 0.00 -2.00 0.00 0.00 55.36 52.97 1b4m s GLN 98 Cb -0.14 -4.42 0.11 0.00 0.80 0.00 0.00 33.01 29.37 1b4m s GLN 98 CO -0.14 -2.28 1.44 0.21 -0.50 0.00 0.00 175.29 174.02 1b4m s LYS 99 N 5.85 3.84 0.00 1.67 2.20 0.12 -3.98 119.74 129.44 1b4m s LYS 99 Ca 0.42 -1.93 0.00 0.00 -0.36 0.00 0.00 55.97 54.10 1b4m s LYS 99 Cb -0.07 -5.20 0.00 0.00 -1.51 0.00 0.00 37.83 31.04 1b4m s LYS 99 CO 0.11 -1.98 0.00 0.41 -0.36 0.00 0.00 175.35 173.53 1b4m n GLY 100 N 5.34 1.35 0.12 5.54 0.00 -1.26 -2.93 105.19 113.36 1b4m n GLY 100 Ca 0.36 -1.87 -0.23 0.00 0.00 0.00 0.00 46.02 44.28 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 0.00 0.61 -0.01 1.61 2.13 -1.26 -4.88 120.64 118.84 1b4m n GLU 101 Ca 0.00 0.42 -0.03 0.00 0.66 0.00 0.00 57.16 58.20 1b4m n GLU 101 Cb 0.00 -1.66 -0.01 0.00 0.27 0.00 0.00 31.44 30.03 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 -4.13 0.20 -1.57 5.31 0.00 -1.26 -5.09 118.16 111.62 1b4m n LYS 102 Ca -0.38 0.08 -0.29 0.00 0.00 0.00 0.00 58.31 57.71 1b4m n LYS 102 Cb 0.82 -0.81 0.11 0.00 0.00 0.00 0.00 35.03 35.14 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 -2.21 1.70 -0.57 1.64 4.04 -1.26 -5.00 118.70 117.04 1b4m s GLU 103 Ca -0.11 0.47 0.04 0.00 0.04 0.00 0.00 54.97 55.41 1b4m s GLU 103 Cb 0.02 -1.89 0.14 0.00 0.02 0.00 0.00 34.13 32.42 1b4m s GLU 103 CO 0.16 -1.85 0.33 -0.80 -1.84 0.00 0.00 175.26 171.27 1b4m s ASN 104 N -3.99 4.32 0.75 0.83 0.01 -1.26 -4.12 114.94 111.47 1b4m s ASN 104 Ca 0.62 -3.24 -0.05 0.00 -0.71 0.00 0.00 52.86 49.48 1b4m s ASN 104 Cb -0.14 -1.54 0.12 0.00 0.41 0.00 0.00 41.25 40.09 1b4m s ASN 104 CO 0.54 -0.19 1.05 -0.13 -1.51 0.00 0.00 177.10 176.86 1b4m s ARG 105 N -0.58 1.67 0.00 -0.60 1.81 -1.26 -2.01 118.95 117.99 1b4m s ARG 105 Ca 0.20 -0.71 0.00 0.00 -1.72 0.00 0.00 55.73 53.50 1b4m s ARG 105 Cb -0.18 -2.20 0.00 0.00 -0.45 0.00 0.00 34.95 32.12 1b4m s ARG 105 CO -0.06 -1.53 0.00 0.41 -0.68 0.00 0.00 175.30 173.44 1b4m n GLY 106 N -3.01 -0.86 0.07 -3.53 0.00 -1.12 -2.73 105.19 94.01 1b4m n GLY 106 Ca 0.13 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1b4m n GLY 106 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1b4m n TRP 107 N 9.00 0.00 -1.54 1.61 2.14 -1.25 -4.12 117.44 123.28 1b4m n TRP 107 Ca 0.00 0.00 -0.52 0.00 2.07 0.00 0.00 57.50 59.05 1b4m n TRP 107 Cb 0.00 0.14 -0.05 0.00 -0.81 0.00 0.00 31.31 30.58 1b4m n TRP 107 CO 0.00 0.00 0.00 0.36 2.07 0.00 0.00 177.69 180.12 1b4m n LYS 108 N 0.00 0.73 -2.74 -2.67 0.00 -0.62 -4.24 118.16 108.61 1b4m n LYS 108 Ca 0.00 0.26 -0.22 0.00 -0.00 0.00 0.00 58.31 58.35 1b4m n LYS 108 Cb 0.11 -1.72 0.03 0.00 -0.00 0.00 0.00 35.03 33.45 1b4m n LYS 108 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1b4m s GLN 109 N -0.22 2.71 0.00 -1.58 -1.52 0.20 -1.87 119.66 117.38 1b4m s GLN 109 Ca 0.78 -0.67 0.00 0.00 -1.95 0.00 0.00 55.36 53.52 1b4m s GLN 109 Cb -0.98 -2.50 0.00 0.00 -0.22 0.00 0.00 33.01 29.30 1b4m s GLN 109 CO 0.53 -0.58 0.00 0.91 -0.25 0.00 0.00 175.29 175.90 1b4m n TRP 110 N -2.27 0.00 -2.85 0.91 5.03 -1.01 -3.87 117.44 113.38 1b4m n TRP 110 Ca 0.06 0.00 -0.11 0.00 3.03 0.00 0.00 57.50 60.48 1b4m n TRP 110 Cb 0.59 0.00 0.05 0.00 -1.03 0.00 0.00 31.31 30.92 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 -2.16 -4.29 -3.58 -0.99 0.31 -1.26 -4.49 118.33 101.87 1b4m n VAL 111 Ca 0.00 -0.43 -0.37 0.00 -0.01 0.00 0.00 64.34 63.53 1b4m n VAL 111 Cb 0.37 -4.32 -0.10 0.00 -0.91 0.00 0.00 33.84 28.89 1b4m n VAL 111 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1b4m s GLU 112 N -4.67 4.03 -0.51 5.55 0.41 -0.99 -4.78 118.70 117.74 1b4m s GLU 112 Ca 0.06 -0.21 -0.13 0.00 -0.41 0.00 0.00 54.97 54.28 1b4m s GLU 112 Cb -0.01 -3.59 0.02 0.00 -1.78 0.00 0.00 34.13 28.77 1b4m s GLU 112 CO 0.46 -0.07 0.48 0.41 -0.49 0.00 0.00 175.26 176.06 1b4m n GLY 113 N 4.57 -0.52 4.32 -1.39 0.00 -1.26 -2.72 105.19 108.19 1b4m n GLY 113 Ca -0.13 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 -1.07 0.00 -4.92 1.61 8.00 -1.26 -4.92 116.55 113.98 1b4m n ASP 114 Ca -0.18 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.10 1b4m n ASP 114 Cb 0.53 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.63 1b4m n ASP 114 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1b4m s LYS 115 N 0.00 2.41 -0.42 -1.24 0.00 -1.10 -4.35 119.74 115.03 1b4m s LYS 115 Ca 0.00 -1.71 0.04 0.00 0.00 0.00 0.00 55.97 54.30 1b4m s LYS 115 Cb 0.00 -2.36 0.12 0.00 0.00 0.00 0.00 37.83 35.59 1b4m s LYS 115 CO 0.00 -0.48 0.16 -1.17 0.00 0.00 0.00 175.35 173.86 1b4m s LEU 116 N -4.30 4.34 0.17 2.77 0.20 -1.26 -2.36 118.68 118.24 1b4m s LEU 116 Ca 0.46 -2.55 -0.31 0.00 0.69 0.00 0.00 54.13 52.43 1b4m s LEU 116 Cb -0.04 -1.57 -0.09 0.00 -0.43 0.00 0.00 46.19 44.06 1b4m s LEU 116 CO 0.28 -0.31 1.47 -0.31 -0.29 0.00 0.00 176.35 177.19 1b4m s TYR 117 N 0.36 3.13 -0.42 5.38 1.51 -1.26 -4.59 117.35 121.46 1b4m s TYR 117 Ca 0.14 0.85 -0.07 0.00 -1.01 0.00 0.00 57.07 56.98 1b4m s TYR 117 Cb -0.22 -3.81 0.09 0.00 -0.11 0.00 0.00 41.96 37.91 1b4m s TYR 117 CO -0.05 -2.84 0.24 -1.17 -1.11 0.00 0.00 175.55 170.62 1b4m s LEU 118 N 0.75 5.18 -0.09 -1.29 0.20 -1.26 -2.40 118.68 119.78 1b4m s LEU 118 Ca 0.65 -1.71 -0.02 0.00 0.69 0.00 0.00 54.13 53.74 1b4m s LEU 118 Cb -0.41 -1.92 -0.03 0.00 -0.43 0.00 0.00 46.19 43.40 1b4m s LEU 118 CO 0.34 -0.55 -0.01 -1.61 -0.29 0.00 0.00 176.35 174.23 1b4m s GLU 119 N 1.32 3.02 0.03 1.98 2.02 -0.78 -2.65 118.70 123.64 1b4m s GLU 119 Ca 0.04 -0.43 0.01 0.00 0.02 0.00 0.00 54.97 54.62 1b4m s GLU 119 Cb -0.23 -2.78 -0.02 0.00 0.10 0.00 0.00 34.13 31.19 1b4m s GLU 119 CO -0.01 0.66 -0.06 -0.48 0.02 0.00 0.00 175.26 175.39 1b4m s LEU 120 N -0.76 2.25 0.21 1.80 0.05 -0.83 -1.59 118.68 119.80 1b4m s LEU 120 Ca 0.12 -0.53 0.08 0.00 0.05 0.00 0.00 54.13 53.85 1b4m s LEU 120 Cb -0.11 -0.08 -0.04 0.00 -2.05 0.00 0.00 46.19 43.90 1b4m s LEU 120 CO 0.02 -0.23 0.01 -0.89 -0.55 0.00 0.00 176.35 174.71 1b4m s THR 121 N -1.39 3.67 -0.41 5.48 2.01 -1.26 -0.77 115.64 122.98 1b4m s THR 121 Ca -0.12 -1.57 0.05 0.00 0.31 0.00 0.00 61.69 60.37 1b4m s THR 121 Cb -0.10 -2.89 0.18 0.00 0.01 0.00 0.00 72.50 69.70 1b4m s THR 121 CO -0.00 -0.20 0.70 0.00 -0.69 0.00 0.00 174.62 174.43 1b4m n GLY 123 N 4.13 -0.45 2.02 0.00 0.00 -1.23 -3.61 105.19 106.05 1b4m n GLY 123 Ca 0.11 0.13 -0.01 0.00 0.00 0.00 0.00 46.02 46.25 1b4m n GLY 123 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1b4m n ASP 124 N -2.63 -3.87 0.07 1.61 -0.08 -1.26 -4.95 116.55 105.44 1b4m n ASP 124 Ca 0.08 0.63 0.00 0.00 -1.51 0.00 0.00 54.79 53.99 1b4m n ASP 124 Cb 0.48 -2.92 0.00 0.00 2.34 0.00 0.00 41.12 41.03 1b4m n ASP 124 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1b4m n GLN 125 N 0.42 0.00 -2.77 -0.67 1.13 -1.24 -5.09 117.38 109.16 1b4m n GLN 125 Ca -0.04 0.00 -0.06 0.00 -1.94 0.00 0.00 57.00 54.96 1b4m n GLN 125 Cb 0.07 0.00 0.01 0.00 0.11 0.00 0.00 30.24 30.43 1b4m n GLN 125 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1b4m n VAL 126 N -2.75-10.14 -1.69 5.09 0.31 -1.26 -4.94 118.33 102.95 1b4m n VAL 126 Ca 0.00 0.61 -0.43 0.00 -0.01 0.00 0.00 64.34 64.51 1b4m n VAL 126 Cb 0.00 -6.95 -0.03 0.00 -0.91 0.00 0.00 33.84 25.95 1b4m n VAL 126 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1b4m s ARG 128 N 2.43 2.20 0.43 0.00 6.06 -1.26 -1.96 118.95 126.85 1b4m s ARG 128 Ca 0.82 -1.78 0.01 0.00 -2.50 0.00 0.00 55.73 52.27 1b4m s ARG 128 Cb -0.52 -3.70 -0.01 0.00 0.06 0.00 0.00 34.95 30.78 1b4m s ARG 128 CO 0.38 -1.10 0.65 -0.65 -2.50 0.00 0.00 175.30 172.08 1b4m s GLN 129 N 1.23 3.12 -0.01 5.12 -1.52 -1.08 -4.02 119.66 122.49 1b4m s GLN 129 Ca 0.07 -0.49 0.01 0.00 -1.95 0.00 0.00 55.36 53.01 1b4m s GLN 129 Cb -0.24 -2.58 0.00 0.00 -0.22 0.00 0.00 33.01 29.98 1b4m s GLN 129 CO -0.03 -0.21 -0.04 0.08 -0.25 0.00 0.00 175.29 174.85 1b4m s VAL 130 N -2.51 0.35 0.45 1.09 1.01 -0.87 -4.24 120.40 115.68 1b4m s VAL 130 Ca 0.47 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.34 1b4m s VAL 130 Cb -0.10 -0.33 -0.02 0.00 0.00 0.00 0.00 36.38 35.93 1b4m s VAL 130 CO 0.37 0.12 0.06 -0.36 0.00 0.00 0.00 175.10 175.29 1b4m s PHE 131 N 0.17 1.87 -0.16 5.22 0.40 -1.26 0.17 117.98 124.39 1b4m s PHE 131 Ca -0.02 -1.08 -0.14 0.00 -0.60 0.00 0.00 56.93 55.09 1b4m s PHE 131 Cb -0.05 -1.42 0.04 0.00 0.51 0.00 0.00 43.02 42.11 1b4m s PHE 131 CO -0.00 0.01 0.42 -1.59 0.70 0.00 0.00 175.22 174.76 1b4m s LYS 132 N -3.80 0.49 -0.23 0.44 0.00 -1.14 -4.67 119.74 110.83 1b4m s LYS 132 Ca 0.16 0.60 -0.29 0.00 0.00 0.00 0.00 55.97 56.45 1b4m s LYS 132 Cb 0.03 0.22 0.01 0.00 0.00 0.00 0.00 37.83 38.09 1b4m s LYS 132 CO 0.09 -0.07 1.08 0.21 0.00 0.00 0.00 175.35 176.67 1b4m s LYS 133 N 0.31 4.23 0.00 1.78 2.20 -1.26 -1.62 119.74 125.37 1b4m s LYS 133 Ca -0.01 1.38 0.00 0.00 -0.36 0.00 0.00 55.97 56.99 1b4m s LYS 133 Cb -0.03 -3.67 0.00 0.00 -1.51 0.00 0.00 37.83 32.61 1b4m s LYS 133 CO -0.00 -0.67 0.00 0.36 -0.36 0.00 0.00 175.35 174.67