#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lt6 s PRO 2 N 0.00 4.35 0.01 0.00 0.04 -1.26 -4.97 135.00 133.17 1lt6 s PRO 2 Ca 0.00 2.18 0.22 0.00 0.04 0.00 0.00 61.00 63.44 1lt6 s PRO 2 Cb 0.00 -3.12 -0.18 0.00 0.04 0.00 0.00 34.50 31.24 1lt6 s PRO 2 CO 0.00 -0.27 0.80 0.00 0.04 0.00 0.00 177.00 177.58 1lt6 n GLN 3 N 1.84 0.32 -4.09 4.56 10.64 -1.26 -4.97 117.38 124.42 1lt6 n GLN 3 Ca 0.04 -0.07 -0.09 0.00 -1.83 0.00 0.00 57.00 55.05 1lt6 n GLN 3 Cb 0.42 -1.54 -0.09 0.00 -0.86 0.00 0.00 30.24 28.17 1lt6 n GLN 3 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 1lt6 s THR 4 N -3.24 0.10 0.20 -0.39 -4.23 -1.26 -5.04 115.64 101.78 1lt6 s THR 4 Ca 0.01 -1.76 -0.08 0.00 -1.18 0.00 0.00 61.69 58.68 1lt6 s THR 4 Cb 0.15 -1.95 0.11 0.00 1.34 0.00 0.00 72.50 72.15 1lt6 s THR 4 CO 0.86 -0.46 1.71 -0.29 -0.54 0.00 0.00 174.62 175.91 1lt6 h ILE 5 N 2.80 1.26 0.00 2.99 2.10 -1.96 -1.16 117.51 123.54 1lt6 h ILE 5 Ca -0.34 -1.01 -0.07 0.00 1.08 0.00 0.00 64.86 64.52 1lt6 h ILE 5 Cb 1.20 0.60 -0.01 0.00 -1.09 0.00 0.00 36.82 37.52 1lt6 h ILE 5 CO 0.57 0.38 -0.34 0.71 -1.08 0.00 0.00 178.15 178.38 1lt6 h THR 6 N 1.04 1.22 -0.13 2.19 1.35 -1.99 0.19 112.91 116.77 1lt6 h THR 6 Ca 0.21 -1.19 -0.11 0.00 -0.55 0.00 0.00 66.41 64.77 1lt6 h THR 6 Cb 0.41 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 1lt6 h THR 6 CO 0.01 0.34 -0.36 -0.33 -0.25 0.00 0.00 175.52 174.93 1lt6 h GLU 7 N 0.00 0.47 -0.13 4.72 5.08 -1.83 -3.07 114.58 119.83 1lt6 h GLU 7 Ca -0.00 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 1lt6 h GLU 7 Cb 0.62 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1lt6 h GLU 7 CO 0.04 0.95 0.05 1.25 -1.00 0.00 0.00 179.01 180.31 1lt6 h LEU 8 N 0.08 0.19 -0.72 1.33 6.46 -0.68 -2.97 115.31 118.99 1lt6 h LEU 8 Ca -0.01 -0.17 0.14 0.00 -0.12 0.00 0.00 57.88 57.72 1lt6 h LEU 8 Cb 0.97 -0.05 -0.09 0.00 -0.73 0.00 0.00 40.66 40.76 1lt6 h LEU 8 CO 0.08 0.31 0.26 0.00 -0.62 0.00 0.00 178.44 178.46 1lt6 n SER 10 N -5.04 0.26 -0.09 0.00 7.64 -1.12 -2.20 113.62 113.07 1lt6 n SER 10 Ca 0.13 0.56 0.14 0.00 1.01 0.00 0.00 58.87 60.71 1lt6 n SER 10 Cb 0.40 -0.57 0.62 0.00 -1.01 0.00 0.00 64.21 63.65 1lt6 n SER 10 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1lt6 n GLU 11 N -1.83 0.60 -4.36 1.43 1.02 -0.65 -4.89 120.64 111.96 1lt6 n GLU 11 Ca -0.01 -0.18 -0.19 0.00 -0.02 0.00 0.00 57.16 56.76 1lt6 n GLU 11 Cb 0.13 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 29.95 1lt6 n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1lt6 s TYR 12 N -2.53 1.75 0.45 -0.32 1.51 -0.93 -5.15 117.35 112.13 1lt6 s TYR 12 Ca 0.28 -0.56 -0.01 0.00 -1.01 0.00 0.00 57.07 55.76 1lt6 s TYR 12 Cb 0.20 -0.82 -0.01 0.00 -0.11 0.00 0.00 41.96 41.22 1lt6 s TYR 12 CO 0.48 0.38 0.68 -0.98 -1.11 0.00 0.00 175.55 175.00 1lt6 s ARG 13 N -3.64 3.17 -1.39 -0.62 1.70 -1.26 -4.37 118.95 112.53 1lt6 s ARG 13 Ca 0.23 -0.35 -0.09 0.00 -0.47 0.00 0.00 55.73 55.05 1lt6 s ARG 13 Cb -0.01 -2.53 0.03 0.00 -0.57 0.00 0.00 34.95 31.87 1lt6 s ARG 13 CO 0.07 -0.23 1.06 0.09 -1.08 0.00 0.00 175.30 175.22 1lt6 n ASN 14 N -2.09 -4.96 -4.21 -2.89 5.03 -1.26 -4.94 115.26 99.94 1lt6 n ASN 14 Ca 0.01 -0.65 -0.16 0.00 0.87 0.00 0.00 54.58 54.65 1lt6 n ASN 14 Cb 0.57 -4.62 -0.11 0.00 -1.02 0.00 0.00 39.78 34.60 1lt6 n ASN 14 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1lt6 s THR 15 N -3.35 1.13 -0.13 3.41 -4.23 -1.26 -0.77 115.64 110.44 1lt6 s THR 15 Ca 0.49 -1.74 -0.29 0.00 -1.18 0.00 0.00 61.69 58.97 1lt6 s THR 15 Cb -0.23 -1.51 0.07 0.00 1.34 0.00 0.00 72.50 72.17 1lt6 s THR 15 CO 0.77 -0.54 0.69 0.00 -0.54 0.00 0.00 174.62 175.00 1lt6 s GLN 16 N -2.91 0.98 0.04 3.99 -2.07 -0.56 -4.88 119.66 114.26 1lt6 s GLN 16 Ca 0.09 0.52 -0.24 0.00 -1.82 0.00 0.00 55.36 53.90 1lt6 s GLN 16 Cb -0.03 0.47 -0.06 0.00 -1.09 0.00 0.00 33.01 32.30 1lt6 s GLN 16 CO 0.01 -0.25 0.75 0.42 -1.32 0.00 0.00 175.29 174.90 1lt6 s ILE 17 N -0.64 4.73 -0.24 3.63 -1.09 -1.26 -1.86 121.20 124.48 1lt6 s ILE 17 Ca -0.07 1.59 0.02 0.00 -2.23 0.00 0.00 60.65 59.96 1lt6 s ILE 17 Cb -0.02 -4.09 0.05 0.00 -1.58 0.00 0.00 42.46 36.82 1lt6 s ILE 17 CO 0.07 0.38 -0.13 -0.31 -1.23 0.00 0.00 174.94 173.71 1lt6 s TYR 18 N -0.13 3.11 -0.60 3.97 2.02 0.07 -4.95 117.35 120.84 1lt6 s TYR 18 Ca 0.37 -2.12 -0.26 0.00 -0.37 0.00 0.00 57.07 54.69 1lt6 s TYR 18 Cb -0.20 -1.92 0.04 0.00 -0.40 0.00 0.00 41.96 39.48 1lt6 s TYR 18 CO 0.22 -0.86 1.10 0.99 -1.57 0.00 0.00 175.55 175.44 1lt6 s THR 19 N 1.16 4.12 -0.19 -0.71 2.01 -1.26 -0.90 115.64 119.87 1lt6 s THR 19 Ca -0.05 0.54 -0.17 0.00 0.31 0.00 0.00 61.69 62.32 1lt6 s THR 19 Cb -0.18 -4.69 -0.13 0.00 0.01 0.00 0.00 72.50 67.51 1lt6 s THR 19 CO -0.07 -1.35 0.03 -0.38 -0.69 0.00 0.00 174.62 172.16 1lt6 n ILE 20 N 6.42 1.49 -3.98 1.82 -0.00 -0.20 -4.99 119.36 119.92 1lt6 n ILE 20 Ca 0.05 0.04 -0.28 0.00 -0.00 0.00 0.00 62.75 62.55 1lt6 n ILE 20 Cb 0.48 -2.16 -0.01 0.00 -0.00 0.00 0.00 39.64 37.95 1lt6 n ILE 20 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 1lt6 n ASN 21 N -4.49 -2.00 -3.68 4.38 5.15 -0.61 -4.96 115.26 109.05 1lt6 n ASN 21 Ca -0.24 -0.94 -0.13 0.00 -0.60 0.00 0.00 54.58 52.66 1lt6 n ASN 21 Cb 0.54 -3.27 -0.07 0.00 -0.53 0.00 0.00 39.78 36.46 1lt6 n ASN 21 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1lt6 s ASP 22 N -3.91 -0.29 0.81 1.20 2.15 -1.07 -4.93 116.67 110.64 1lt6 s ASP 22 Ca 0.31 0.07 -0.12 0.00 0.43 0.00 0.00 52.55 53.25 1lt6 s ASP 22 Cb -0.16 0.40 0.08 0.00 -0.30 0.00 0.00 42.92 42.94 1lt6 s ASP 22 CO 0.88 -0.61 1.10 -1.59 -0.17 0.00 0.00 175.17 174.78 1lt6 s LYS 23 N -2.09 2.01 0.15 4.34 -2.85 -1.26 -2.91 119.74 117.13 1lt6 s LYS 23 Ca -0.08 0.61 -0.30 0.00 -1.00 0.00 0.00 55.97 55.20 1lt6 s LYS 23 Cb -0.02 -1.91 -0.07 0.00 -2.06 0.00 0.00 37.83 33.77 1lt6 s LYS 23 CO 0.00 -1.67 1.05 0.42 0.10 0.00 0.00 175.35 175.26 1lt6 s ILE 24 N -3.17 4.10 -0.12 3.79 1.01 -1.26 -4.72 121.20 120.83 1lt6 s ILE 24 Ca 0.61 1.78 -0.17 0.00 0.00 0.00 0.00 60.65 62.87 1lt6 s ILE 24 Cb -0.14 -4.14 -0.26 0.00 0.01 0.00 0.00 42.46 37.93 1lt6 s ILE 24 CO 0.54 0.29 0.53 0.25 0.00 0.00 0.00 174.94 176.55 1lt6 h LEU 25 N 5.30 0.30 -8.23 2.97 5.85 -1.52 -3.48 115.31 116.50 1lt6 h LEU 25 Ca -0.44 -0.82 -0.30 0.00 0.84 0.00 0.00 57.88 57.16 1lt6 h LEU 25 Cb 1.21 -0.10 -0.21 0.00 0.37 0.00 0.00 40.66 41.93 1lt6 h LEU 25 CO 0.72 1.56 -0.74 -0.94 -0.34 0.00 0.00 178.44 178.70 1lt6 s SER 26 N -6.95 1.04 -0.08 1.25 1.04 -1.15 -4.99 113.70 103.87 1lt6 s SER 26 Ca -0.21 -0.58 0.01 0.00 0.48 0.00 0.00 55.95 55.64 1lt6 s SER 26 Cb 0.04 0.02 0.02 0.00 0.10 0.00 0.00 66.02 66.20 1lt6 s SER 26 CO 0.74 -0.19 -0.07 -0.47 0.98 0.00 0.00 173.24 174.23 1lt6 s TYR 27 N -1.45 1.16 -0.05 5.02 5.04 -1.26 -2.55 117.35 123.26 1lt6 s TYR 27 Ca -0.07 -0.46 0.03 0.00 -2.44 0.00 0.00 57.07 54.13 1lt6 s TYR 27 Cb -0.09 -0.97 0.00 0.00 0.35 0.00 0.00 41.96 41.25 1lt6 s TYR 27 CO 0.01 -0.33 -0.14 0.99 -1.34 0.00 0.00 175.55 174.73 1lt6 s THR 28 N 1.23 1.23 -0.05 4.34 2.01 0.83 -4.99 115.64 120.25 1lt6 s THR 28 Ca -0.05 -0.57 0.03 0.00 0.31 0.00 0.00 61.69 61.41 1lt6 s THR 28 Cb -0.14 -1.08 0.01 0.00 0.01 0.00 0.00 72.50 71.29 1lt6 s THR 28 CO -0.02 0.37 -0.13 -0.70 -0.69 0.00 0.00 174.62 173.45 1lt6 s GLU 29 N 0.34 1.51 -0.11 4.92 2.12 -1.26 -0.70 118.70 125.51 1lt6 s GLU 29 Ca -0.09 -0.44 0.02 0.00 0.36 0.00 0.00 54.97 54.83 1lt6 s GLU 29 Cb -0.13 -1.30 0.01 0.00 0.26 0.00 0.00 34.13 32.97 1lt6 s GLU 29 CO 0.03 0.11 -0.18 0.45 -0.54 0.00 0.00 175.26 175.13 1lt6 s SER 30 N 0.35 2.62 -0.24 -1.70 0.15 -1.02 -4.98 113.70 108.88 1lt6 s SER 30 Ca -0.08 -0.48 0.13 0.00 0.70 0.00 0.00 55.95 56.23 1lt6 s SER 30 Cb -0.13 -1.19 0.66 0.00 -1.71 0.00 0.00 66.02 63.65 1lt6 s SER 30 CO 0.02 0.05 1.61 1.15 1.20 0.00 0.00 173.24 177.27 1lt6 n MET 31 N 4.05 3.48 -2.84 5.44 0.00 -1.26 -2.89 117.12 123.11 1lt6 n MET 31 Ca -0.20 -3.02 -0.36 0.00 0.00 0.00 0.00 57.70 54.12 1lt6 n MET 31 Cb 0.52 -2.04 -0.06 0.00 0.00 0.00 0.00 33.22 31.63 1lt6 n MET 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1lt6 s ALA 32 N -2.91 3.22 -0.39 3.17 0.00 -1.26 -4.88 121.76 118.71 1lt6 s ALA 32 Ca 0.49 0.45 -0.42 0.00 0.00 0.00 0.00 51.96 52.48 1lt6 s ALA 32 Cb 0.39 -3.12 -0.17 0.00 0.00 0.00 0.00 23.12 20.23 1lt6 s ALA 32 CO 0.11 0.19 1.86 0.41 0.00 0.00 0.00 175.76 178.33 1lt6 n GLY 33 N 0.40 0.45 2.52 0.00 0.00 -1.26 -0.57 105.19 106.72 1lt6 n GLY 33 Ca 0.02 0.99 -0.20 0.00 0.00 0.00 0.00 46.02 46.83 1lt6 n GLY 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1lt6 n LYS 34 N 5.92 -1.46 -0.91 1.61 3.00 -1.26 -4.78 118.16 120.28 1lt6 n LYS 34 Ca 0.35 1.13 0.03 0.00 -0.00 0.00 0.00 58.31 59.82 1lt6 n LYS 34 Cb 0.07 -5.57 0.03 0.00 0.00 0.00 0.00 35.03 29.57 1lt6 n LYS 34 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1lt6 n ARG 35 N -2.58 0.21 -2.07 1.64 3.00 0.26 -4.99 116.66 112.13 1lt6 n ARG 35 Ca -0.21 -1.72 -0.30 0.00 -0.00 0.00 0.00 57.85 55.62 1lt6 n ARG 35 Cb 0.67 -0.44 -0.04 0.00 0.00 0.00 0.00 32.46 32.64 1lt6 n ARG 35 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1lt6 s GLU 36 N -0.45 2.61 0.35 -0.14 8.01 -1.08 -4.42 118.70 123.59 1lt6 s GLU 36 Ca 0.20 -0.12 -0.09 0.00 0.01 0.00 0.00 54.97 54.97 1lt6 s GLU 36 Cb 0.22 -4.91 0.02 0.00 -4.31 0.00 0.00 34.13 25.15 1lt6 s GLU 36 CO -0.08 -3.18 0.61 0.00 0.01 0.00 0.00 175.26 172.62 1lt6 s MET 37 N 6.93 2.01 -0.02 1.61 0.23 -1.14 -4.14 119.30 124.77 1lt6 s MET 37 Ca 0.68 -1.56 0.04 0.00 -1.03 0.00 0.00 55.69 53.82 1lt6 s MET 37 Cb -0.08 0.53 -0.01 0.00 -1.53 0.00 0.00 34.83 33.74 1lt6 s MET 37 CO 0.04 -0.88 -0.14 0.08 -2.03 0.00 0.00 175.02 172.08 1lt6 s VAL 38 N -2.87 1.16 -0.05 5.16 1.01 -1.18 -2.44 120.40 121.19 1lt6 s VAL 38 Ca 0.23 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 61.65 1lt6 s VAL 38 Cb -0.03 -0.99 -0.00 0.00 0.00 0.00 0.00 36.38 35.36 1lt6 s VAL 38 CO 0.15 0.34 -0.16 -0.63 0.00 0.00 0.00 175.10 174.80 1lt6 s ILE 39 N -0.09 1.37 0.01 2.22 1.01 0.13 -1.79 121.20 124.05 1lt6 s ILE 39 Ca 0.01 -0.67 0.02 0.00 0.00 0.00 0.00 60.65 60.01 1lt6 s ILE 39 Cb -0.08 -1.19 -0.01 0.00 0.01 0.00 0.00 42.46 41.19 1lt6 s ILE 39 CO 0.01 0.40 -0.08 0.27 0.00 0.00 0.00 174.94 175.53 1lt6 s ILE 40 N 0.13 0.61 0.16 2.92 -4.36 -0.79 -0.12 121.20 119.76 1lt6 s ILE 40 Ca -0.06 -0.49 0.07 0.00 -0.26 0.00 0.00 60.65 59.91 1lt6 s ILE 40 Cb -0.12 -0.55 -0.04 0.00 1.25 0.00 0.00 42.46 43.00 1lt6 s ILE 40 CO 0.02 0.06 -0.15 0.42 0.24 0.00 0.00 174.94 175.54 1lt6 s THR 41 N -0.42 1.53 0.30 8.37 -4.23 -1.06 -0.74 115.64 119.40 1lt6 s THR 41 Ca 0.01 -1.93 0.11 0.00 -1.18 0.00 0.00 61.69 58.69 1lt6 s THR 41 Cb -0.04 -1.77 -0.05 0.00 1.34 0.00 0.00 72.50 71.97 1lt6 s THR 41 CO -0.00 -0.48 -0.14 -0.36 -0.54 0.00 0.00 174.62 173.10 1lt6 s PHE 42 N -2.48 2.37 0.55 3.99 0.40 -0.36 -1.26 117.98 121.19 1lt6 s PHE 42 Ca 0.15 -0.39 0.26 0.00 -0.60 0.00 0.00 56.93 56.35 1lt6 s PHE 42 Cb -0.03 -1.16 1.46 0.00 0.51 0.00 0.00 43.02 43.80 1lt6 s PHE 42 CO 0.04 0.66 2.02 -0.22 0.70 0.00 0.00 175.22 178.42 1lt6 h LYS 43 N 2.14 0.00 -0.99 0.44 3.11 -1.89 -0.79 116.57 118.58 1lt6 h LYS 43 Ca -0.41 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.43 1lt6 h LYS 43 Cb 1.26 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.49 1lt6 h LYS 43 CO 0.64 0.00 0.00 0.43 -2.81 0.00 0.00 179.45 177.71 1lt6 n SER 44 N -4.17 1.61 0.00 4.20 7.64 -1.26 -4.84 113.62 116.81 1lt6 n SER 44 Ca 0.07 -1.96 0.00 0.00 1.01 0.00 0.00 58.87 57.99 1lt6 n SER 44 Cb 0.52 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 1lt6 n SER 44 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1lt6 n GLY 45 N 0.17 2.63 3.76 0.23 0.00 -0.30 -4.99 105.19 106.68 1lt6 n GLY 45 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1lt6 n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lt6 s GLU 46 N 0.00 4.48 -0.03 1.61 8.01 -1.25 -4.82 118.70 126.70 1lt6 s GLU 46 Ca 0.00 2.01 0.05 0.00 0.01 0.00 0.00 54.97 57.04 1lt6 s GLU 46 Cb 0.00 -3.14 -0.01 0.00 -4.31 0.00 0.00 34.13 26.67 1lt6 s GLU 46 CO 0.00 -0.02 -0.19 0.99 0.01 0.00 0.00 175.26 176.04 1lt6 s THR 47 N -0.93 1.54 0.23 3.63 2.01 -1.26 -1.22 115.64 119.64 1lt6 s THR 47 Ca 0.48 -0.81 0.01 0.00 0.31 0.00 0.00 61.69 61.68 1lt6 s THR 47 Cb -0.36 -1.30 -0.05 0.00 0.01 0.00 0.00 72.50 70.80 1lt6 s THR 47 CO 0.45 0.44 0.09 -0.36 -0.69 0.00 0.00 174.62 174.55 1lt6 s PHE 48 N -0.25 1.41 0.04 4.92 0.08 0.08 -4.06 117.98 120.21 1lt6 s PHE 48 Ca 0.02 -1.20 -0.08 0.00 0.12 0.00 0.00 56.93 55.80 1lt6 s PHE 48 Cb -0.10 -0.80 -0.00 0.00 -0.57 0.00 0.00 43.02 41.55 1lt6 s PHE 48 CO 0.01 -0.38 0.15 1.14 -0.10 0.00 0.00 175.22 176.04 1lt6 s GLN 49 N -4.04 0.66 -0.26 0.44 -2.07 -0.82 -1.88 119.66 111.69 1lt6 s GLN 49 Ca 0.36 -0.71 -0.05 0.00 -1.82 0.00 0.00 55.36 53.14 1lt6 s GLN 49 Cb 0.07 0.27 0.01 0.00 -1.09 0.00 0.00 33.01 32.27 1lt6 s GLN 49 CO 0.12 -0.18 0.01 0.54 -1.32 0.00 0.00 175.29 174.46 1lt6 s VAL 50 N -2.70 3.57 0.78 3.63 0.11 -0.74 -1.70 120.40 123.34 1lt6 s VAL 50 Ca -0.04 -0.70 -0.14 0.00 -2.93 0.00 0.00 61.98 58.17 1lt6 s VAL 50 Cb -0.01 -2.77 0.06 0.00 -1.53 0.00 0.00 36.38 32.14 1lt6 s VAL 50 CO -0.05 0.21 1.19 -1.61 -3.33 0.00 0.00 175.10 171.51 1lt6 s GLU 51 N 1.46 1.88 0.23 1.54 2.02 -1.26 -3.11 118.70 121.45 1lt6 s GLU 51 Ca 0.03 1.69 -0.31 0.00 0.02 0.00 0.00 54.97 56.41 1lt6 s GLU 51 Cb -0.16 -1.81 -0.10 0.00 0.10 0.00 0.00 34.13 32.15 1lt6 s GLU 51 CO -0.01 -2.02 1.52 0.08 0.02 0.00 0.00 175.26 174.86 1lt6 s VAL 52 N -2.17 2.49 0.26 2.63 1.01 -1.26 -4.90 120.40 118.47 1lt6 s VAL 52 Ca 0.72 0.39 -0.31 0.00 0.00 0.00 0.00 61.98 62.79 1lt6 s VAL 52 Cb -0.27 -3.25 -0.12 0.00 0.00 0.00 0.00 36.38 32.73 1lt6 s VAL 52 CO 0.49 0.05 1.51 -0.81 0.00 0.00 0.00 175.10 176.34 1lt6 n PRO 53 N 2.83 2.38 -0.13 2.72 -0.04 -1.26 -4.93 135.00 136.57 1lt6 n PRO 53 Ca 0.09 0.85 0.00 0.00 -0.04 0.00 0.00 63.50 64.40 1lt6 n PRO 53 Cb 0.39 -2.58 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 1lt6 n PRO 53 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1lt6 n GLY 54 N 2.24 3.75 0.28 0.55 0.00 -1.26 -5.05 105.19 105.70 1lt6 n GLY 54 Ca 0.10 -1.04 0.03 0.00 0.00 0.00 0.00 46.02 45.12 1lt6 n GLY 54 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1lt6 h SER 55 N 0.00 0.35 -0.77 1.61 0.02 -2.02 -2.16 113.55 110.58 1lt6 h SER 55 Ca 0.00 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1lt6 h SER 55 Cb 0.00 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.41 1lt6 h SER 55 CO 0.00 0.34 0.50 1.56 -1.14 0.00 0.00 176.83 178.10 1lt6 h GLN 56 N 0.39 1.02 -6.47 3.45 7.50 -1.96 -3.43 115.11 115.60 1lt6 h GLN 56 Ca 0.10 -0.07 -0.53 0.00 0.50 0.00 0.00 58.65 58.64 1lt6 h GLN 56 Cb 0.13 -0.23 -0.01 0.00 0.05 0.00 0.00 27.48 27.42 1lt6 h GLN 56 CO -0.01 0.69 0.48 -1.01 -1.50 0.00 0.00 178.83 177.48 1lt6 s HIS 57 N -5.85 3.54 0.52 2.96 3.76 -0.81 -5.05 115.29 114.35 1lt6 s HIS 57 Ca -0.11 1.48 -0.06 0.00 -0.15 0.00 0.00 55.06 56.22 1lt6 s HIS 57 Cb 0.18 -3.29 -0.03 0.00 1.11 0.00 0.00 32.58 30.55 1lt6 s HIS 57 CO 0.79 -0.74 0.84 0.96 -0.85 0.00 0.00 174.74 175.74 1lt6 s ILE 58 N 0.93 4.60 0.33 0.60 -4.36 -1.26 -4.86 121.20 117.17 1lt6 s ILE 58 Ca 0.55 0.23 0.10 0.00 -0.26 0.00 0.00 60.65 61.27 1lt6 s ILE 58 Cb -0.26 -3.77 0.32 0.00 1.25 0.00 0.00 42.46 40.00 1lt6 s ILE 58 CO 0.29 -0.79 1.74 -2.24 0.24 0.00 0.00 174.94 174.18 1lt6 h ASP 59 N 0.07 0.66 -0.54 4.36 3.04 -1.97 -2.18 116.42 119.86 1lt6 h ASP 59 Ca -0.46 0.12 -0.10 0.00 -3.24 0.00 0.00 57.03 53.35 1lt6 h ASP 59 Cb 1.21 0.02 -0.02 0.00 -1.04 0.00 0.00 39.33 39.50 1lt6 h ASP 59 CO 0.61 0.13 -0.04 0.77 -2.04 0.00 0.00 179.24 178.68 1lt6 h SER 60 N 0.58 0.96 -0.65 4.15 4.64 -2.03 -2.83 113.55 118.37 1lt6 h SER 60 Ca 0.63 -0.32 -0.02 0.00 -0.47 0.00 0.00 61.79 61.60 1lt6 h SER 60 Cb 1.22 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 63.01 1lt6 h SER 60 CO -0.43 1.06 0.34 1.56 -0.87 0.00 0.00 176.83 178.49 1lt6 h GLN 61 N 0.85 0.94 -0.96 4.77 4.20 -1.78 -2.94 115.11 120.18 1lt6 h GLN 61 Ca 0.15 -0.11 0.25 0.00 0.06 0.00 0.00 58.65 59.00 1lt6 h GLN 61 Cb 0.58 -0.18 -0.18 0.00 0.30 0.00 0.00 27.48 28.00 1lt6 h GLN 61 CO 0.03 0.71 -0.01 0.87 -0.67 0.00 0.00 178.83 179.76 1lt6 h LYS 62 N 0.94 0.02 -0.21 1.46 6.56 -1.30 1.17 116.57 125.21 1lt6 h LYS 62 Ca 0.24 -0.00 -0.17 0.00 -1.06 0.00 0.00 60.65 59.65 1lt6 h LYS 62 Cb 0.06 -0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 31.71 1lt6 h LYS 62 CO -0.03 0.02 -0.56 0.87 -2.06 0.00 0.00 179.45 177.68 1lt6 h LYS 63 N 0.02 0.66 -0.66 3.15 1.79 -1.65 -3.21 116.57 116.67 1lt6 h LYS 63 Ca 0.56 -0.43 0.01 0.00 -2.18 0.00 0.00 60.65 58.62 1lt6 h LYS 63 Cb 1.10 0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 31.77 1lt6 h LYS 63 CO -0.90 1.04 0.43 0.00 -1.08 0.00 0.00 179.45 178.94 1lt6 h ALA 64 N 0.87 0.84 -0.34 3.86 0.00 0.12 -2.74 119.26 121.87 1lt6 h ALA 64 Ca 0.01 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1lt6 h ALA 64 Cb 1.13 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 1lt6 h ALA 64 CO 0.11 0.23 -0.05 0.82 0.00 0.00 0.00 179.25 180.36 1lt6 h ILE 65 N 0.86 0.70 -0.07 0.00 2.04 -0.47 0.11 117.51 120.67 1lt6 h ILE 65 Ca 0.25 -0.01 0.03 0.00 1.00 0.00 0.00 64.86 66.13 1lt6 h ILE 65 Cb -0.06 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 36.64 1lt6 h ILE 65 CO -0.07 0.01 -0.15 -0.33 0.00 0.00 0.00 178.15 177.60 1lt6 h GLU 66 N 0.04 -0.21 -0.68 2.37 4.39 -1.56 -1.61 114.58 117.32 1lt6 h GLU 66 Ca 0.16 0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.95 1lt6 h GLU 66 Cb 0.24 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.88 1lt6 h GLU 66 CO -0.32 -0.14 0.36 -0.09 -1.16 0.00 0.00 179.01 177.66 1lt6 h ARG 67 N -0.22 0.63 -0.38 2.33 2.43 -1.17 -1.11 114.38 116.90 1lt6 h ARG 67 Ca 0.07 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.25 1lt6 h ARG 67 Cb 0.32 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.69 1lt6 h ARG 67 CO -0.20 0.42 0.12 1.98 -1.51 0.00 0.00 179.97 180.78 1lt6 h MET 68 N 0.65 0.25 -0.61 0.20 4.05 -0.23 0.42 114.93 119.67 1lt6 h MET 68 Ca 0.31 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.71 1lt6 h MET 68 Cb 0.25 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 30.96 1lt6 h MET 68 CO -0.21 0.17 0.33 0.87 0.23 0.00 0.00 176.91 178.30 1lt6 h LYS 69 N 0.26 0.84 -0.65 0.39 1.57 -0.63 -1.64 116.57 116.71 1lt6 h LYS 69 Ca 0.17 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1lt6 h LYS 69 Cb 0.17 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1lt6 h LYS 69 CO -0.19 0.62 0.33 -0.44 -0.57 0.00 0.00 179.45 179.20 1lt6 h ASP 70 N 0.85 0.84 -0.19 0.86 3.32 0.09 -1.94 116.42 120.26 1lt6 h ASP 70 Ca 0.22 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 1lt6 h ASP 70 Cb 0.03 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1lt6 h ASP 70 CO -0.04 0.73 0.07 0.74 -1.72 0.00 0.00 179.24 179.02 1lt6 h THR 71 N 0.90 1.17 -0.55 0.35 2.02 -0.12 -2.53 112.91 114.15 1lt6 h THR 71 Ca 0.23 -0.52 -0.00 0.00 0.77 0.00 0.00 66.41 66.89 1lt6 h THR 71 Cb 0.10 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 1lt6 h THR 71 CO -0.03 0.17 0.34 -0.07 0.37 0.00 0.00 175.52 176.29 1lt6 h LEU 72 N 0.15 0.66 -0.10 2.58 4.07 -1.25 0.94 115.31 122.36 1lt6 h LEU 72 Ca 0.06 -0.05 0.04 0.00 0.08 0.00 0.00 57.88 58.01 1lt6 h LEU 72 Cb 0.19 -0.17 -0.05 0.00 1.08 0.00 0.00 40.66 41.72 1lt6 h LEU 72 CO -0.00 0.52 -0.20 -0.09 -1.08 0.00 0.00 178.44 177.58 1lt6 h ARG 73 N 0.74 -0.26 0.00 1.13 2.43 -1.20 0.12 114.38 117.34 1lt6 h ARG 73 Ca 0.20 0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.28 1lt6 h ARG 73 Cb -0.03 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 1lt6 h ARG 73 CO -0.04 -0.17 -0.52 0.97 -1.51 0.00 0.00 179.97 178.70 1lt6 h ILE 74 N -0.27 1.32 -0.37 1.20 6.09 -1.25 -2.41 117.51 121.82 1lt6 h ILE 74 Ca 0.09 -1.80 -0.03 0.00 -1.37 0.00 0.00 64.86 61.75 1lt6 h ILE 74 Cb 0.40 1.99 -0.02 0.00 0.47 0.00 0.00 36.82 39.66 1lt6 h ILE 74 CO -0.26 0.51 0.12 0.74 -3.07 0.00 0.00 178.15 176.19 1lt6 h THR 75 N 0.00 1.21 -0.05 2.19 2.02 -0.12 -2.06 112.91 116.09 1lt6 h THR 75 Ca -0.01 -0.66 0.00 0.00 0.77 0.00 0.00 66.41 66.52 1lt6 h THR 75 Cb 0.94 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 1lt6 h THR 75 CO 0.07 0.23 0.02 0.22 0.37 0.00 0.00 175.52 176.43 1lt6 h TYR 76 N 0.45 0.03 -0.04 3.16 3.20 -0.76 -1.06 116.97 121.95 1lt6 h TYR 76 Ca 0.12 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 1lt6 h TYR 76 Cb 0.24 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 1lt6 h TYR 76 CO 0.01 0.02 -0.09 -0.07 -1.64 0.00 0.00 178.16 176.38 1lt6 h LEU 77 N 0.04 0.05 -0.96 2.82 3.38 -1.27 -2.78 115.31 116.60 1lt6 h LEU 77 Ca 0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1lt6 h LEU 77 Cb 0.01 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1lt6 h LEU 77 CO -0.02 0.15 -0.49 0.35 0.09 0.00 0.00 178.44 178.52 1lt6 n THR 78 N -4.40 0.00 -3.54 0.22 -2.24 -0.79 -4.99 114.28 98.54 1lt6 n THR 78 Ca -0.02 -0.26 -0.20 0.00 -2.27 0.00 0.00 64.05 61.30 1lt6 n THR 78 Cb 0.19 1.24 0.08 0.00 -2.10 0.00 0.00 70.33 69.74 1lt6 n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1lt6 n GLU 79 N -0.08 -6.74 -3.46 -0.78 1.02 -0.43 -4.98 120.64 105.19 1lt6 n GLU 79 Ca 0.09 0.80 -0.34 0.00 -0.02 0.00 0.00 57.16 57.69 1lt6 n GLU 79 Cb 0.45 -5.77 -0.06 0.00 -0.02 0.00 0.00 31.44 26.05 1lt6 n GLU 79 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1lt6 s THR 80 N -3.38 4.97 -0.15 2.62 -4.23 -1.06 -4.92 115.64 109.49 1lt6 s THR 80 Ca 0.21 0.59 -0.29 0.00 -1.18 0.00 0.00 61.69 61.02 1lt6 s THR 80 Cb -0.09 -3.68 -0.02 0.00 1.34 0.00 0.00 72.50 70.05 1lt6 s THR 80 CO 0.75 0.19 1.24 -0.75 -0.54 0.00 0.00 174.62 175.51 1lt6 s LYS 81 N -2.13 4.26 0.04 3.99 2.47 -1.26 -4.55 119.74 122.56 1lt6 s LYS 81 Ca 0.38 1.65 -0.26 0.00 -1.56 0.00 0.00 55.97 56.18 1lt6 s LYS 81 Cb -0.14 -3.72 -0.05 0.00 -1.46 0.00 0.00 37.83 32.46 1lt6 s LYS 81 CO 0.19 -0.65 0.82 0.42 0.16 0.00 0.00 175.35 176.29 1lt6 s ILE 82 N 3.23 4.73 -0.03 5.43 1.09 -1.14 -3.73 121.20 130.78 1lt6 s ILE 82 Ca 0.55 1.74 -0.01 0.00 -1.10 0.00 0.00 60.65 61.83 1lt6 s ILE 82 Cb -0.22 -4.17 -0.00 0.00 -1.06 0.00 0.00 42.46 37.01 1lt6 s ILE 82 CO 0.16 0.32 -0.02 -0.78 -0.10 0.00 0.00 174.94 174.52 1lt6 h ASP 83 N 5.87 0.00 -4.37 3.58 3.58 -0.79 -1.57 116.42 122.72 1lt6 h ASP 83 Ca -0.43 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 56.71 1lt6 h ASP 83 Cb 1.21 0.00 -0.15 0.00 1.72 0.00 0.00 39.33 42.11 1lt6 h ASP 83 CO 0.72 0.14 -0.66 -0.54 -2.88 0.00 0.00 179.24 176.01 1lt6 s LYS 84 N -1.20 1.15 -0.03 0.28 1.02 -1.21 -1.03 119.74 118.73 1lt6 s LYS 84 Ca -0.02 -1.56 0.02 0.00 0.02 0.00 0.00 55.97 54.43 1lt6 s LYS 84 Cb 0.00 -0.35 0.01 0.00 -0.52 0.00 0.00 37.83 36.98 1lt6 s LYS 84 CO 0.03 -0.12 -0.05 -0.51 -0.92 0.00 0.00 175.35 173.78 1lt6 s LEU 85 N -3.20 1.63 -0.31 3.17 1.43 -0.08 -2.13 118.68 119.19 1lt6 s LEU 85 Ca 0.25 -0.12 -0.09 0.00 -1.03 0.00 0.00 54.13 53.13 1lt6 s LEU 85 Cb 0.06 -0.39 -0.01 0.00 0.03 0.00 0.00 46.19 45.88 1lt6 s LEU 85 CO 0.05 0.01 0.15 0.00 0.23 0.00 0.00 176.35 176.78 1lt6 s VAL 87 N 1.61 1.65 -0.25 0.00 -7.23 -0.78 -0.01 120.40 115.39 1lt6 s VAL 87 Ca 0.05 -1.97 -0.20 0.00 -1.81 0.00 0.00 61.98 58.04 1lt6 s VAL 87 Cb -0.17 -1.84 -0.02 0.00 0.56 0.00 0.00 36.38 34.91 1lt6 s VAL 87 CO 0.06 -0.45 0.60 0.26 -0.31 0.00 0.00 175.10 175.26 1lt6 s TRP 88 N -2.43 3.28 -1.58 2.82 0.51 0.19 -1.49 118.94 120.23 1lt6 s TRP 88 Ca 0.16 0.78 0.12 0.00 -2.12 0.00 0.00 56.10 55.05 1lt6 s TRP 88 Cb -0.03 -2.81 0.42 0.00 -0.81 0.00 0.00 33.47 30.23 1lt6 s TRP 88 CO 0.06 -0.31 1.30 0.27 -0.51 0.00 0.00 176.95 177.76 1lt6 n ASN 89 N 5.63 2.79 -1.95 2.95 0.23 0.05 -1.66 115.26 123.30 1lt6 n ASN 89 Ca -0.01 -2.16 -0.12 0.00 -0.53 0.00 0.00 54.58 51.75 1lt6 n ASN 89 Cb 0.49 -0.39 0.24 0.00 -2.08 0.00 0.00 39.78 38.04 1lt6 n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1lt6 n ASN 90 N 0.67 4.07 -4.00 0.53 6.94 -1.26 -4.90 115.26 117.31 1lt6 n ASN 90 Ca 0.15 -3.44 -0.09 0.00 -0.02 0.00 0.00 54.58 51.18 1lt6 n ASN 90 Cb 0.50 -0.76 -0.11 0.00 -2.36 0.00 0.00 39.78 37.05 1lt6 n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1lt6 s LYS 91 N -3.15 0.36 -0.17 -3.83 3.01 -1.25 -5.08 119.74 109.64 1lt6 s LYS 91 Ca 0.54 -0.70 -0.01 0.00 -1.01 0.00 0.00 55.97 54.79 1lt6 s LYS 91 Cb 0.45 0.11 0.05 0.00 -1.01 0.00 0.00 37.83 37.42 1lt6 s LYS 91 CO 0.11 -0.05 -0.02 0.99 0.51 0.00 0.00 175.35 176.88 1lt6 s THR 92 N -1.79 0.85 0.83 2.17 2.01 -1.26 -2.15 115.64 116.30 1lt6 s THR 92 Ca -0.13 -0.54 -0.11 0.00 0.31 0.00 0.00 61.69 61.22 1lt6 s THR 92 Cb -0.08 -1.13 0.09 0.00 0.01 0.00 0.00 72.50 71.39 1lt6 s THR 92 CO -0.02 0.03 1.09 -2.16 -0.69 0.00 0.00 174.62 172.86 1lt6 s PRO 93 N 1.74 1.78 0.38 4.92 0.04 -1.26 -5.08 135.00 137.52 1lt6 s PRO 93 Ca 0.00 0.87 -0.24 0.00 0.04 0.00 0.00 61.00 61.67 1lt6 s PRO 93 Cb -0.16 -1.86 -0.12 0.00 0.04 0.00 0.00 34.50 32.40 1lt6 s PRO 93 CO -0.07 -1.89 0.81 0.09 0.04 0.00 0.00 177.00 175.98 1lt6 n ASN 94 N -3.65 0.33 -4.78 6.66 5.03 -0.91 -4.57 115.26 113.36 1lt6 n ASN 94 Ca 0.08 1.02 -0.37 0.00 0.87 0.00 0.00 54.58 56.18 1lt6 n ASN 94 Cb 0.55 -1.23 -0.07 0.00 -1.02 0.00 0.00 39.78 38.01 1lt6 n ASN 94 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1lt6 s SER 95 N -0.80 6.47 -0.15 6.41 0.15 -0.67 -1.95 113.70 123.16 1lt6 s SER 95 Ca 0.62 0.55 -0.29 0.00 0.70 0.00 0.00 55.95 57.54 1lt6 s SER 95 Cb -0.62 -2.16 -0.01 0.00 -1.71 0.00 0.00 66.02 61.52 1lt6 s SER 95 CO 0.58 0.22 1.10 -0.63 1.20 0.00 0.00 173.24 175.71 1lt6 s ILE 96 N -0.18 4.57 -0.22 6.45 1.01 -0.69 0.55 121.20 132.69 1lt6 s ILE 96 Ca 0.17 1.87 0.07 0.00 0.00 0.00 0.00 60.65 62.75 1lt6 s ILE 96 Cb -0.13 -4.20 -0.18 0.00 0.01 0.00 0.00 42.46 37.95 1lt6 s ILE 96 CO 0.05 -0.08 -0.11 0.00 0.00 0.00 0.00 174.94 174.80 1lt6 n ALA 97 N 5.75 1.51 -3.58 9.38 0.00 0.99 -4.90 120.51 129.66 1lt6 n ALA 97 Ca 0.11 -1.07 -0.14 0.00 0.00 0.00 0.00 53.44 52.33 1lt6 n ALA 97 Cb 0.47 -0.08 -0.06 0.00 0.00 0.00 0.00 19.45 19.78 1lt6 n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1lt6 s ALA 98 N -2.46 -1.83 0.32 0.00 0.00 -0.81 -4.98 121.76 112.00 1lt6 s ALA 98 Ca -0.24 1.69 0.10 0.00 0.00 0.00 0.00 51.96 53.51 1lt6 s ALA 98 Cb 0.07 -0.72 -0.05 0.00 0.00 0.00 0.00 23.12 22.41 1lt6 s ALA 98 CO 0.61 -0.33 -0.04 0.96 0.00 0.00 0.00 175.76 176.96 1lt6 s ILE 99 N -0.42 2.64 -0.11 0.00 -4.36 -1.26 -0.73 121.20 116.95 1lt6 s ILE 99 Ca -0.04 -2.08 -0.12 0.00 -0.26 0.00 0.00 60.65 58.15 1lt6 s ILE 99 Cb -0.03 -2.69 0.03 0.00 1.25 0.00 0.00 42.46 41.02 1lt6 s ILE 99 CO 0.03 -0.25 0.33 -0.55 0.24 0.00 0.00 174.94 174.74 1lt6 s SER 100 N -3.66 -0.32 0.01 4.36 0.15 -0.91 -4.99 113.70 108.35 1lt6 s SER 100 Ca 0.33 0.58 0.01 0.00 0.70 0.00 0.00 55.95 57.57 1lt6 s SER 100 Cb -0.01 0.62 -0.01 0.00 -1.71 0.00 0.00 66.02 64.91 1lt6 s SER 100 CO 0.18 -0.17 -0.03 -0.04 1.20 0.00 0.00 173.24 174.38 1lt6 s MET 101 N -0.06 0.23 -0.01 5.44 -1.94 -1.26 -0.05 119.30 121.65 1lt6 s MET 101 Ca -0.02 -0.28 0.00 0.00 -1.71 0.00 0.00 55.69 53.68 1lt6 s MET 101 Cb -0.03 -0.10 0.01 0.00 2.01 0.00 0.00 34.83 36.72 1lt6 s MET 101 CO 0.01 0.02 0.01 0.21 -0.01 0.00 0.00 175.02 175.25 1lt6 s LYS 102 N -0.58 0.03 0.00 2.03 2.20 -1.24 -4.85 119.74 117.32 1lt6 s LYS 102 Ca -0.05 0.05 0.00 0.00 -0.36 0.00 0.00 55.97 55.61 1lt6 s LYS 102 Cb -0.04 -0.12 0.00 0.00 -1.51 0.00 0.00 37.83 36.16 1lt6 s LYS 102 CO -0.00 -0.05 0.00 -1.71 -0.36 0.00 0.00 175.35 173.23