#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 4.09 0.05 0.00 0.04 -1.26 -4.94 135.00 132.98 1lt6 s PRO 2 Ca 0.00 1.92 0.18 0.00 0.04 0.00 0.00 61.00 63.14 1lt6 s PRO 2 Cb 0.00 -2.75 -0.14 0.00 0.04 0.00 0.00 34.50 31.65 1lt6 s PRO 2 CO 0.00 -0.32 0.77 1.04 0.04 0.00 0.00 177.00 178.54 1lt6 n GLN 3 N 0.19 0.63 -4.24 4.56 1.13 -1.26 -4.97 117.38 113.42 1lt6 n GLN 3 Ca 0.04 0.18 -0.14 0.00 -1.94 0.00 0.00 57.00 55.14 1lt6 n GLN 3 Cb 0.45 -1.78 -0.10 0.00 0.11 0.00 0.00 30.24 28.93 1lt6 n GLN 3 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1lt6 s THR 4 N -2.97 1.10 0.23 5.09 -4.23 -1.26 -5.05 115.64 108.55 1lt6 s THR 4 Ca -0.03 -2.03 -0.07 0.00 -1.18 0.00 0.00 61.69 58.38 1lt6 s THR 4 Cb 0.09 -1.81 0.18 0.00 1.34 0.00 0.00 72.50 72.30 1lt6 s THR 4 CO 0.82 -0.76 1.80 -0.29 -0.54 0.00 0.00 174.62 175.65 1lt6 h ILE 5 N 2.84 0.91 -0.56 2.99 2.10 -1.95 -1.25 117.51 122.59 1lt6 h ILE 5 Ca -0.36 -0.24 0.02 0.00 1.08 0.00 0.00 64.86 65.35 1lt6 h ILE 5 Cb 1.19 0.15 -0.03 0.00 -1.09 0.00 0.00 36.82 37.03 1lt6 h ILE 5 CO 0.63 0.13 0.35 0.74 -1.08 0.00 0.00 178.15 178.92 1lt6 h THR 6 N 0.70 1.10 -0.27 2.19 2.02 -1.99 0.44 112.91 117.11 1lt6 h THR 6 Ca 0.35 -0.24 0.01 0.00 0.77 0.00 0.00 66.41 67.30 1lt6 h THR 6 Cb 0.31 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 1lt6 h THR 6 CO -0.23 0.13 0.15 -0.33 0.37 0.00 0.00 175.52 175.61 1lt6 h GLU 7 N 0.71 0.30 -0.01 6.66 5.08 -1.82 -1.92 114.58 123.58 1lt6 h GLU 7 Ca 0.21 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1lt6 h GLU 7 Cb -0.03 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 1lt6 h GLU 7 CO -0.07 0.20 0.01 1.25 -1.00 0.00 0.00 179.01 179.40 1lt6 h LEU 8 N 0.31 0.02 -0.56 1.33 6.46 -0.15 -2.93 115.31 119.78 1lt6 h LEU 8 Ca 0.11 -0.07 0.10 0.00 -0.12 0.00 0.00 57.88 57.89 1lt6 h LEU 8 Cb 0.01 -0.00 -0.08 0.00 -0.73 0.00 0.00 40.66 39.86 1lt6 h LEU 8 CO -0.06 0.09 0.14 0.00 -0.62 0.00 0.00 178.44 177.99 1lt6 n SER 10 N -5.09 0.00 0.07 0.00 7.64 -0.74 -1.08 113.62 114.42 1lt6 n SER 10 Ca 0.08 0.24 0.12 0.00 1.01 0.00 0.00 58.87 60.32 1lt6 n SER 10 Cb 0.28 -0.24 0.25 0.00 -1.01 0.00 0.00 64.21 63.49 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 -1.24 0.26 -4.27 1.43 1.02 -0.08 -4.89 120.64 112.86 1lt6 n GLU 11 Ca 0.00 0.11 -0.26 0.00 -0.02 0.00 0.00 57.16 56.99 1lt6 n GLU 11 Cb 0.00 -1.70 -0.09 0.00 -0.02 0.00 0.00 31.44 29.63 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 -3.13 2.68 0.41 -0.32 1.51 -0.25 -5.12 117.35 113.13 1lt6 s TYR 12 Ca 0.08 -0.20 -0.06 0.00 -1.01 0.00 0.00 57.07 55.88 1lt6 s TYR 12 Cb 0.14 -1.30 -0.04 0.00 -0.11 0.00 0.00 41.96 40.64 1lt6 s TYR 12 CO 0.68 0.52 0.71 0.50 -1.11 0.00 0.00 175.55 176.85 1lt6 s ARG 13 N -2.90 3.60 -1.41 -0.62 3.52 -1.26 -4.32 118.95 115.56 1lt6 s ARG 13 Ca 0.26 0.16 -0.10 0.00 -0.13 0.00 0.00 55.73 55.92 1lt6 s ARG 13 Cb -0.09 -2.46 0.04 0.00 -1.56 0.00 0.00 34.95 30.88 1lt6 s ARG 13 CO 0.16 -0.05 1.09 0.09 -0.81 0.00 0.00 175.30 175.78 1lt6 n ASN 14 N -1.76 -5.39 -4.36 -2.12 5.03 -1.26 -4.95 115.26 100.45 1lt6 n ASN 14 Ca -0.00 -0.64 -0.19 0.00 0.87 0.00 0.00 54.58 54.62 1lt6 n ASN 14 Cb 0.55 -4.61 -0.10 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 -3.33 1.56 0.09 3.41 -4.23 -1.26 -0.70 115.64 111.18 1lt6 s THR 15 Ca 0.56 -2.14 -0.22 0.00 -1.18 0.00 0.00 61.69 58.70 1lt6 s THR 15 Cb -0.26 -2.20 0.06 0.00 1.34 0.00 0.00 72.50 71.43 1lt6 s THR 15 CO 0.77 -0.47 0.53 0.00 -0.54 0.00 0.00 174.62 174.90 1lt6 s GLN 16 N -3.71 1.12 -0.20 3.99 -2.07 -0.41 -4.86 119.66 113.51 1lt6 s GLN 16 Ca 0.25 -0.38 -0.10 0.00 -1.82 0.00 0.00 55.36 53.32 1lt6 s GLN 16 Cb 0.02 0.51 -0.05 0.00 -1.09 0.00 0.00 33.01 32.40 1lt6 s GLN 16 CO 0.08 -0.44 0.12 0.42 -1.32 0.00 0.00 175.29 174.15 1lt6 s ILE 17 N -3.07 5.30 -0.14 3.63 -1.09 -1.26 -1.35 121.20 123.22 1lt6 s ILE 17 Ca -0.02 0.15 -0.00 0.00 -2.23 0.00 0.00 60.65 58.55 1lt6 s ILE 17 Cb -0.00 -3.42 -0.01 0.00 -1.58 0.00 0.00 42.46 37.45 1lt6 s ILE 17 CO -0.07 0.43 -0.14 -0.31 -1.23 0.00 0.00 174.94 173.63 1lt6 s TYR 18 N 0.44 2.80 -0.51 3.97 2.02 0.13 -4.97 117.35 121.23 1lt6 s TYR 18 Ca 0.07 -0.81 -0.18 0.00 -0.37 0.00 0.00 57.07 55.79 1lt6 s TYR 18 Cb -0.11 -1.87 0.08 0.00 -0.40 0.00 0.00 41.96 39.65 1lt6 s TYR 18 CO -0.01 -0.33 0.56 0.99 -1.57 0.00 0.00 175.55 175.20 1lt6 s THR 19 N 0.58 4.99 -0.17 -0.71 2.01 -1.26 -1.09 115.64 119.99 1lt6 s THR 19 Ca -0.08 -0.82 -0.23 0.00 0.31 0.00 0.00 61.69 60.86 1lt6 s THR 19 Cb -0.16 -4.28 -0.23 0.00 0.01 0.00 0.00 72.50 67.84 1lt6 s THR 19 CO 0.03 -0.80 0.45 0.40 -0.69 0.00 0.00 174.62 174.01 1lt6 h ILE 20 N 5.84 1.24 -5.95 1.82 1.08 -1.57 -3.48 117.51 116.49 1lt6 h ILE 20 Ca -0.28 -2.27 -0.45 0.00 -0.39 0.00 0.00 64.86 61.47 1lt6 h ILE 20 Cb 1.10 2.69 -0.08 0.00 -3.07 0.00 0.00 36.82 37.46 1lt6 h ILE 20 CO 0.97 0.46 -0.69 -3.20 -0.69 0.00 0.00 178.15 175.00 1lt6 n ASN 21 N -4.43 -4.28 -3.76 1.72 4.05 -0.05 -4.90 115.26 103.60 1lt6 n ASN 21 Ca -0.24 -0.64 -0.09 0.00 0.45 0.00 0.00 54.58 54.06 1lt6 n ASN 21 Cb 0.64 -3.47 -0.03 0.00 1.23 0.00 0.00 39.78 38.16 1lt6 n ASN 21 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1lt6 s ASP 22 N -3.04 -0.31 0.55 1.20 2.15 -1.01 -4.89 116.67 111.32 1lt6 s ASP 22 Ca 0.56 -0.49 -0.05 0.00 0.43 0.00 0.00 52.55 53.00 1lt6 s ASP 22 Cb -0.29 0.67 -0.00 0.00 -0.30 0.00 0.00 42.92 42.99 1lt6 s ASP 22 CO 0.69 -1.21 0.86 -1.59 -0.17 0.00 0.00 175.17 173.75 1lt6 s LYS 23 N -3.89 3.08 0.26 4.34 -2.85 -1.26 -0.48 119.74 118.95 1lt6 s LYS 23 Ca 0.10 0.01 -0.29 0.00 -1.00 0.00 0.00 55.97 54.78 1lt6 s LYS 23 Cb -0.04 -2.32 -0.09 0.00 -2.06 0.00 0.00 37.83 33.32 1lt6 s LYS 23 CO 0.02 -0.55 1.27 0.42 0.10 0.00 0.00 175.35 176.60 1lt6 s ILE 24 N -2.90 3.07 -0.20 3.79 1.01 -1.26 -4.74 121.20 119.97 1lt6 s ILE 24 Ca 0.52 0.99 -0.22 0.00 0.00 0.00 0.00 60.65 61.94 1lt6 s ILE 24 Cb -0.10 -3.63 -0.19 0.00 0.01 0.00 0.00 42.46 38.55 1lt6 s ILE 24 CO 0.45 0.20 0.24 0.25 0.00 0.00 0.00 174.94 176.08 1lt6 h LEU 25 N 4.31 0.00 -8.24 2.97 7.12 -1.31 -3.48 115.31 116.68 1lt6 h LEU 25 Ca -0.47 -0.52 -0.32 0.00 0.13 0.00 0.00 57.88 56.70 1lt6 h LEU 25 Cb 1.22 0.00 -0.21 0.00 -0.53 0.00 0.00 40.66 41.13 1lt6 h LEU 25 CO 0.71 1.41 -0.75 -0.94 -0.13 0.00 0.00 178.44 178.74 1lt6 s SER 26 N -6.74 1.10 -0.08 1.25 1.04 -1.17 -4.99 113.70 104.11 1lt6 s SER 26 Ca -0.27 -0.56 0.02 0.00 0.48 0.00 0.00 55.95 55.61 1lt6 s SER 26 Cb 0.05 0.01 0.01 0.00 0.10 0.00 0.00 66.02 66.19 1lt6 s SER 26 CO 0.58 -0.16 -0.13 -0.47 0.98 0.00 0.00 173.24 174.04 1lt6 s TYR 27 N -1.33 1.60 -0.08 5.02 5.04 -1.26 -2.33 117.35 124.02 1lt6 s TYR 27 Ca -0.07 -0.66 0.02 0.00 -2.44 0.00 0.00 57.07 53.92 1lt6 s TYR 27 Cb -0.10 -1.18 0.01 0.00 0.35 0.00 0.00 41.96 41.04 1lt6 s TYR 27 CO 0.01 -0.35 -0.15 0.99 -1.34 0.00 0.00 175.55 174.71 1lt6 s THR 28 N 0.84 1.36 -0.07 4.34 2.01 -0.25 -5.01 115.64 118.86 1lt6 s THR 28 Ca -0.11 -0.60 0.04 0.00 0.31 0.00 0.00 61.69 61.33 1lt6 s THR 28 Cb -0.15 -1.23 0.00 0.00 0.01 0.00 0.00 72.50 71.13 1lt6 s THR 28 CO 0.02 0.41 -0.18 -0.70 -0.69 0.00 0.00 174.62 173.47 1lt6 s GLU 29 N 0.70 2.23 -0.06 4.92 2.12 -1.26 -1.25 118.70 126.11 1lt6 s GLU 29 Ca -0.13 -0.66 0.03 0.00 0.36 0.00 0.00 54.97 54.57 1lt6 s GLU 29 Cb -0.16 -1.80 0.00 0.00 0.26 0.00 0.00 34.13 32.44 1lt6 s GLU 29 CO 0.03 0.17 -0.16 0.45 -0.54 0.00 0.00 175.26 175.21 1lt6 s SER 30 N 0.32 2.16 0.00 -1.70 0.15 0.03 -4.98 113.70 109.67 1lt6 s SER 30 Ca -0.12 -0.37 0.11 0.00 0.70 0.00 0.00 55.95 56.28 1lt6 s SER 30 Cb -0.15 -0.83 0.27 0.00 -1.71 0.00 0.00 66.02 63.60 1lt6 s SER 30 CO 0.05 0.10 1.18 1.15 1.20 0.00 0.00 173.24 176.93 1lt6 n MET 31 N 3.49 2.37 -1.90 5.44 0.00 -1.26 -2.15 117.12 123.10 1lt6 n MET 31 Ca -0.20 -1.89 -0.41 0.00 0.00 0.00 0.00 57.70 55.20 1lt6 n MET 31 Cb 0.52 -1.27 -0.02 0.00 0.00 0.00 0.00 33.22 32.45 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 -1.00 3.70 -0.06 3.17 0.00 -1.26 -4.72 121.76 121.58 1lt6 s ALA 32 Ca 0.22 1.44 -0.40 0.00 0.00 0.00 0.00 51.96 53.22 1lt6 s ALA 32 Cb 0.12 -3.60 -0.18 0.00 0.00 0.00 0.00 23.12 19.46 1lt6 s ALA 32 CO 0.16 -0.85 1.34 0.41 0.00 0.00 0.00 175.76 176.82 1lt6 n GLY 33 N 2.35 0.24 2.62 0.00 0.00 -1.26 -0.13 105.19 109.02 1lt6 n GLY 33 Ca 0.08 0.79 -0.00 0.00 0.00 0.00 0.00 46.02 46.89 1lt6 n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1lt6 n LYS 34 N 2.78 -1.24 -0.33 1.61 5.02 -1.26 -4.78 118.16 119.96 1lt6 n LYS 34 Ca 0.22 0.32 0.02 0.00 -2.02 0.00 0.00 58.31 56.85 1lt6 n LYS 34 Cb 0.12 -4.26 0.03 0.00 -0.02 0.00 0.00 35.03 30.89 1lt6 n LYS 34 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1lt6 n ARG 35 N -0.56 0.38 -1.59 1.97 3.00 0.82 -5.00 116.66 115.68 1lt6 n ARG 35 Ca -0.00 -1.27 -0.14 0.00 -0.00 0.00 0.00 57.85 56.44 1lt6 n ARG 35 Cb 0.31 -0.72 -0.08 0.00 0.00 0.00 0.00 32.46 31.98 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 -0.61 1.56 0.29 -0.14 8.01 -1.01 -4.60 118.70 122.20 1lt6 s GLU 36 Ca 0.06 0.32 -0.03 0.00 0.01 0.00 0.00 54.97 55.33 1lt6 s GLU 36 Cb 0.06 -4.82 -0.01 0.00 -4.31 0.00 0.00 34.13 25.04 1lt6 s GLU 36 CO 0.01 -4.59 0.36 0.00 0.01 0.00 0.00 175.26 171.04 1lt6 s MET 37 N 8.77 1.64 -0.03 1.61 0.23 -0.92 -4.50 119.30 126.11 1lt6 s MET 37 Ca 0.90 -1.66 0.04 0.00 -1.03 0.00 0.00 55.69 53.94 1lt6 s MET 37 Cb -0.11 0.39 -0.00 0.00 -1.53 0.00 0.00 34.83 33.57 1lt6 s MET 37 CO 0.09 -0.64 -0.13 0.08 -2.03 0.00 0.00 175.02 172.39 1lt6 s VAL 38 N -3.59 1.06 -0.00 5.16 1.01 -1.24 -0.79 120.40 122.00 1lt6 s VAL 38 Ca 0.32 -0.53 0.05 0.00 0.00 0.00 0.00 61.98 61.82 1lt6 s VAL 38 Cb 0.02 -0.91 -0.01 0.00 0.00 0.00 0.00 36.38 35.47 1lt6 s VAL 38 CO 0.17 0.31 -0.16 -0.63 0.00 0.00 0.00 175.10 174.79 1lt6 s ILE 39 N -0.00 1.25 0.07 2.22 1.01 -0.38 -1.79 121.20 123.58 1lt6 s ILE 39 Ca -0.01 -0.75 0.03 0.00 0.00 0.00 0.00 60.65 59.93 1lt6 s ILE 39 Cb -0.08 -1.05 -0.03 0.00 0.01 0.00 0.00 42.46 41.30 1lt6 s ILE 39 CO 0.01 0.30 -0.09 0.27 0.00 0.00 0.00 174.94 175.42 1lt6 s ILE 40 N -0.46 0.76 0.22 2.92 -4.36 -0.25 -1.09 121.20 118.93 1lt6 s ILE 40 Ca 0.06 -1.39 0.00 0.00 -0.26 0.00 0.00 60.65 59.06 1lt6 s ILE 40 Cb -0.06 -1.03 -0.05 0.00 1.25 0.00 0.00 42.46 42.57 1lt6 s ILE 40 CO -0.00 -0.48 0.09 0.42 0.24 0.00 0.00 174.94 175.21 1lt6 s THR 41 N -1.97 0.37 0.25 8.37 -4.23 -0.98 -0.88 115.64 116.57 1lt6 s THR 41 Ca -0.02 -1.99 0.06 0.00 -1.18 0.00 0.00 61.69 58.57 1lt6 s THR 41 Cb -0.06 -2.47 -0.05 0.00 1.34 0.00 0.00 72.50 71.26 1lt6 s THR 41 CO -0.00 -0.11 -0.07 -0.36 -0.54 0.00 0.00 174.62 173.54 1lt6 s PHE 42 N -3.89 1.83 0.41 3.99 0.08 0.06 -0.80 117.98 119.65 1lt6 s PHE 42 Ca 0.35 -0.71 0.16 0.00 0.12 0.00 0.00 56.93 56.84 1lt6 s PHE 42 Cb 0.07 -1.01 1.03 0.00 -0.57 0.00 0.00 43.02 42.54 1lt6 s PHE 42 CO 0.11 0.24 1.86 -0.22 -0.10 0.00 0.00 175.22 177.10 1lt6 h LYS 43 N 2.37 0.45 0.00 0.44 3.64 -1.89 0.26 116.57 121.84 1lt6 h LYS 43 Ca -0.39 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1lt6 h LYS 43 Cb 1.23 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1lt6 h LYS 43 CO 0.66 0.30 0.00 -1.13 -2.27 0.00 0.00 179.45 177.00 1lt6 n SER 44 N -4.53 0.00 0.00 4.20 3.41 -1.26 -4.81 113.62 110.63 1lt6 n SER 44 Ca 0.19 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 1lt6 n SER 44 Cb 0.64 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 1lt6 n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1lt6 n GLY 45 N -0.15 0.78 3.73 5.00 0.00 0.92 -5.03 105.19 110.43 1lt6 n GLY 45 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.44 4.37 -0.04 1.61 0.41 -1.24 -4.76 118.70 118.60 1lt6 s GLU 46 Ca 0.00 2.04 0.07 0.00 -0.41 0.00 0.00 54.97 56.66 1lt6 s GLU 46 Cb 0.00 -3.23 -0.01 0.00 -1.78 0.00 0.00 34.13 29.11 1lt6 s GLU 46 CO 0.00 -0.32 -0.24 0.99 -0.49 0.00 0.00 175.26 175.20 1lt6 s THR 47 N 0.57 1.95 0.13 3.63 2.01 -1.26 -0.76 115.64 121.91 1lt6 s THR 47 Ca 0.60 -1.03 -0.02 0.00 0.31 0.00 0.00 61.69 61.55 1lt6 s THR 47 Cb -0.36 -1.64 -0.03 0.00 0.01 0.00 0.00 72.50 70.48 1lt6 s THR 47 CO 0.34 0.55 0.09 -0.36 -0.69 0.00 0.00 174.62 174.55 1lt6 s PHE 48 N -0.32 0.73 0.11 4.92 0.08 -0.06 -4.10 117.98 119.35 1lt6 s PHE 48 Ca 0.02 -1.13 -0.00 0.00 0.12 0.00 0.00 56.93 55.94 1lt6 s PHE 48 Cb -0.12 -0.39 -0.04 0.00 -0.57 0.00 0.00 43.02 41.90 1lt6 s PHE 48 CO 0.02 -0.54 0.01 1.14 -0.10 0.00 0.00 175.22 175.75 1lt6 s GLN 49 N -4.02 0.86 -0.34 0.44 -2.07 -0.91 -1.10 119.66 112.53 1lt6 s GLN 49 Ca 0.21 -1.38 0.01 0.00 -1.82 0.00 0.00 55.36 52.37 1lt6 s GLN 49 Cb 0.07 0.09 0.08 0.00 -1.09 0.00 0.00 33.01 32.17 1lt6 s GLN 49 CO -0.00 -0.17 0.05 0.08 -1.32 0.00 0.00 175.29 173.93 1lt6 s VAL 50 N -3.90 2.71 1.05 3.63 1.01 -0.74 -1.32 120.40 122.85 1lt6 s VAL 50 Ca 0.18 -1.92 -0.17 0.00 0.00 0.00 0.00 61.98 60.07 1lt6 s VAL 50 Cb 0.07 -2.78 0.07 0.00 0.00 0.00 0.00 36.38 33.73 1lt6 s VAL 50 CO -0.02 -0.41 0.08 -0.62 0.00 0.00 0.00 175.10 174.13 1lt6 n GLU 51 N 4.46 -1.05 -2.45 2.72 1.02 -1.26 -3.70 120.64 120.38 1lt6 n GLU 51 Ca -0.05 -0.28 -0.40 0.00 -0.02 0.00 0.00 57.16 56.41 1lt6 n GLU 51 Cb 0.42 -1.72 -0.04 0.00 -0.02 0.00 0.00 31.44 30.08 1lt6 n GLU 51 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1lt6 s VAL 52 N -2.28 3.44 0.24 2.62 1.01 -1.26 -4.90 120.40 119.27 1lt6 s VAL 52 Ca 0.55 1.45 -0.31 0.00 0.00 0.00 0.00 61.98 63.67 1lt6 s VAL 52 Cb -0.15 -3.92 -0.13 0.00 0.00 0.00 0.00 36.38 32.19 1lt6 s VAL 52 CO 0.67 0.34 1.58 -2.65 0.00 0.00 0.00 175.10 175.04 1lt6 n PRO 53 N 1.15 2.47 0.00 2.72 -0.02 -1.26 -4.92 135.00 135.13 1lt6 n PRO 53 Ca -0.01 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 1lt6 n PRO 53 Cb 0.45 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 1lt6 n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lt6 n GLY 54 N 2.78 4.08 0.28 -1.23 0.00 -1.26 -5.04 105.19 104.80 1lt6 n GLY 54 Ca 0.12 -1.08 0.16 0.00 0.00 0.00 0.00 46.02 45.23 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 0.00 0.43 1.61 0.02 -2.04 -2.95 113.55 110.63 1lt6 h SER 55 Ca 0.00 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.82 1lt6 h SER 55 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1lt6 h SER 55 CO 0.00 0.05 -0.57 1.56 -1.14 0.00 0.00 176.83 176.73 1lt6 h GLN 56 N 0.00 0.14 -6.94 3.45 7.50 -1.96 -3.45 115.11 113.86 1lt6 h GLN 56 Ca -0.00 -0.09 -0.47 0.00 0.50 0.00 0.00 58.65 58.59 1lt6 h GLN 56 Cb 0.45 0.01 -0.01 0.00 0.05 0.00 0.00 27.48 27.99 1lt6 h GLN 56 CO 0.01 0.67 0.36 -1.01 -1.50 0.00 0.00 178.83 177.37 1lt6 s HIS 57 N -3.79 3.51 0.22 2.96 3.76 -1.11 -5.08 115.29 115.76 1lt6 s HIS 57 Ca -0.03 1.71 0.02 0.00 -0.15 0.00 0.00 55.06 56.61 1lt6 s HIS 57 Cb 0.13 -2.97 -0.04 0.00 1.11 0.00 0.00 32.58 30.81 1lt6 s HIS 57 CO 0.78 -0.08 0.38 0.96 -0.85 0.00 0.00 174.74 175.92 1lt6 s ILE 58 N -1.72 5.24 0.26 0.60 -4.36 -1.26 -4.91 121.20 115.05 1lt6 s ILE 58 Ca 0.54 -0.62 -0.08 0.00 -0.26 0.00 0.00 60.65 60.22 1lt6 s ILE 58 Cb -0.18 -3.79 0.38 0.00 1.25 0.00 0.00 42.46 40.12 1lt6 s ILE 58 CO 0.23 -0.25 1.59 0.44 0.24 0.00 0.00 174.94 177.19 1lt6 h ASP 59 N 1.64 -0.74 0.00 4.36 5.19 -1.97 0.29 116.42 125.20 1lt6 h ASP 59 Ca -0.49 0.26 0.00 0.00 -0.62 0.00 0.00 57.03 56.17 1lt6 h ASP 59 Cb 1.21 0.52 0.00 0.00 0.18 0.00 0.00 39.33 41.23 1lt6 h ASP 59 CO 0.65 -0.29 0.02 0.77 -3.12 0.00 0.00 179.24 177.28 1lt6 h SER 60 N 0.01 0.00 1.12 6.45 4.64 -2.05 -0.55 113.55 123.17 1lt6 h SER 60 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 1lt6 h SER 60 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1lt6 h SER 60 CO -0.88 0.00 -0.56 1.56 -0.87 0.00 0.00 176.83 176.08 1lt6 h GLN 61 N 0.00 0.00 -0.05 4.77 4.20 -0.80 -3.38 115.11 119.85 1lt6 h GLN 61 Ca 0.00 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.74 1lt6 h GLN 61 Cb 0.05 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.79 1lt6 h GLN 61 CO 0.00 0.00 -0.18 0.87 -0.67 0.00 0.00 178.83 178.85 1lt6 h LYS 62 N 0.00 -0.26 -0.32 1.46 1.79 -1.12 -1.42 116.57 116.70 1lt6 h LYS 62 Ca 0.00 0.02 -0.06 0.00 -2.18 0.00 0.00 60.65 58.42 1lt6 h LYS 62 Cb 0.84 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.53 1lt6 h LYS 62 CO 0.00 -0.17 -0.07 0.87 -1.08 0.00 0.00 179.45 179.00 1lt6 h LYS 63 N -0.27 0.53 -0.16 3.15 1.57 -1.76 -3.09 116.57 116.54 1lt6 h LYS 63 Ca 0.07 -0.14 -0.10 0.00 -1.87 0.00 0.00 60.65 58.62 1lt6 h LYS 63 Cb 0.37 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1lt6 h LYS 63 CO -0.21 0.61 -0.33 0.00 -0.57 0.00 0.00 179.45 178.95 1lt6 h ALA 64 N 1.43 1.14 -0.16 3.86 0.00 -1.60 -1.99 119.26 121.94 1lt6 h ALA 64 Ca 0.10 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1lt6 h ALA 64 Cb 0.43 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1lt6 h ALA 64 CO 0.02 0.55 0.01 0.82 0.00 0.00 0.00 179.25 180.65 1lt6 h ILE 65 N 0.28 1.24 -0.79 0.00 2.04 -1.19 -2.06 117.51 117.03 1lt6 h ILE 65 Ca 0.03 -0.80 -0.02 0.00 1.00 0.00 0.00 64.86 65.07 1lt6 h ILE 65 Cb 0.73 1.47 -0.04 0.00 -0.74 0.00 0.00 36.82 38.24 1lt6 h ILE 65 CO 0.06 0.24 0.41 -0.33 0.00 0.00 0.00 178.15 178.52 1lt6 h GLU 66 N 0.03 1.11 -0.73 2.37 4.39 -1.57 -1.90 114.58 118.27 1lt6 h GLU 66 Ca 0.05 -0.14 -0.03 0.00 0.34 0.00 0.00 59.36 59.57 1lt6 h GLU 66 Cb 0.35 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.76 1lt6 h GLU 66 CO 0.01 0.84 0.32 -0.09 -1.16 0.00 0.00 179.01 178.93 1lt6 h ARG 67 N 1.10 1.07 -0.89 2.33 2.43 -1.27 -1.76 114.38 117.38 1lt6 h ARG 67 Ca 0.27 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1lt6 h ARG 67 Cb 0.07 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 29.39 1lt6 h ARG 67 CO -0.04 0.85 0.54 1.98 -1.51 0.00 0.00 179.97 181.79 1lt6 h MET 68 N 1.03 1.21 -0.22 0.20 4.05 -0.87 0.12 114.93 120.45 1lt6 h MET 68 Ca 0.25 -0.11 -0.02 0.00 -0.28 0.00 0.00 59.70 59.54 1lt6 h MET 68 Cb 0.16 -0.25 -0.01 0.00 -0.80 0.00 0.00 31.60 30.70 1lt6 h MET 68 CO -0.03 0.85 0.07 0.87 0.23 0.00 0.00 176.91 178.91 1lt6 h LYS 69 N 1.23 0.33 -0.97 0.39 1.57 -1.17 0.13 116.57 118.09 1lt6 h LYS 69 Ca 0.32 -0.07 0.07 0.00 -1.87 0.00 0.00 60.65 59.10 1lt6 h LYS 69 Cb -0.05 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.15 1lt6 h LYS 69 CO -0.06 0.42 0.63 -0.44 -0.57 0.00 0.00 179.45 179.42 1lt6 h ASP 70 N 0.18 0.98 -0.14 0.86 3.32 -0.45 -1.30 116.42 119.86 1lt6 h ASP 70 Ca 0.07 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1lt6 h ASP 70 Cb 0.22 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 1lt6 h ASP 70 CO -0.00 0.61 -0.01 0.74 -1.72 0.00 0.00 179.24 178.86 1lt6 h THR 71 N 1.10 1.26 -0.55 0.35 2.02 -0.35 -2.61 112.91 114.12 1lt6 h THR 71 Ca 0.43 -0.87 -0.02 0.00 0.77 0.00 0.00 66.41 66.72 1lt6 h THR 71 Cb 0.23 1.55 -0.03 0.00 -1.74 0.00 0.00 68.15 68.17 1lt6 h THR 71 CO -0.17 0.25 0.27 -0.07 0.37 0.00 0.00 175.52 176.17 1lt6 h LEU 72 N -0.01 0.72 0.12 2.58 4.07 -0.70 -0.05 115.31 122.04 1lt6 h LEU 72 Ca 0.04 -0.13 0.02 0.00 0.08 0.00 0.00 57.88 57.89 1lt6 h LEU 72 Cb 0.39 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 41.92 1lt6 h LEU 72 CO 0.01 0.65 -0.22 -0.09 -1.08 0.00 0.00 178.44 177.70 1lt6 h ARG 73 N 0.74 -0.40 -0.42 1.13 2.43 -1.28 -0.10 114.38 116.48 1lt6 h ARG 73 Ca 0.19 0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.31 1lt6 h ARG 73 Cb 0.11 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 1lt6 h ARG 73 CO -0.02 -0.27 -0.07 0.97 -1.51 0.00 0.00 179.97 179.07 1lt6 h ILE 74 N -0.42 1.25 -0.01 1.20 6.09 -1.27 -1.10 117.51 123.25 1lt6 h ILE 74 Ca 0.03 -1.07 -0.14 0.00 -1.37 0.00 0.00 64.86 62.31 1lt6 h ILE 74 Cb 0.44 1.00 -0.02 0.00 0.47 0.00 0.00 36.82 38.71 1lt6 h ILE 74 CO -0.12 0.37 -0.63 0.71 -3.07 0.00 0.00 178.15 175.41 1lt6 h THR 75 N 0.66 1.44 -0.02 2.19 1.35 -0.80 -1.95 112.91 115.79 1lt6 h THR 75 Ca 0.12 -2.14 -0.00 0.00 -0.55 0.00 0.00 66.41 63.84 1lt6 h THR 75 Cb 0.52 2.14 -0.00 0.00 -1.73 0.00 0.00 68.15 69.08 1lt6 h THR 75 CO 0.03 0.61 -0.00 0.22 -0.25 0.00 0.00 175.52 176.13 1lt6 h TYR 76 N 0.03 0.04 -0.64 4.73 3.20 -0.55 -1.71 116.97 122.06 1lt6 h TYR 76 Ca -0.01 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.87 1lt6 h TYR 76 Cb 1.12 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 39.35 1lt6 h TYR 76 CO 0.00 0.34 0.42 -0.07 -1.64 0.00 0.00 178.16 177.22 1lt6 h LEU 77 N -0.28 0.72 -0.86 2.82 3.38 -1.10 -2.17 115.31 117.81 1lt6 h LEU 77 Ca 0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1lt6 h LEU 77 Cb 0.33 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1lt6 h LEU 77 CO 0.00 0.52 0.00 0.35 0.09 0.00 0.00 178.44 179.40 1lt6 n THR 78 N -4.44 0.05 -2.09 0.22 -2.24 -0.74 -4.92 114.28 100.11 1lt6 n THR 78 Ca 0.07 -0.24 -0.19 0.00 -2.27 0.00 0.00 64.05 61.42 1lt6 n THR 78 Cb 0.05 0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 68.58 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 0.05 -1.42 -2.33 -0.78 4.71 -0.82 -4.95 120.64 115.11 1lt6 n GLU 79 Ca 0.19 0.98 -0.42 0.00 -0.01 0.00 0.00 57.16 57.90 1lt6 n GLU 79 Cb 0.31 -5.43 -0.03 0.00 -1.01 0.00 0.00 31.44 25.28 1lt6 n GLU 79 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1lt6 s THR 80 N -2.85 3.70 0.37 2.62 2.01 -0.71 -4.80 115.64 115.98 1lt6 s THR 80 Ca 0.00 1.26 -0.27 0.00 0.31 0.00 0.00 61.69 62.99 1lt6 s THR 80 Cb 0.00 -3.80 -0.09 0.00 0.01 0.00 0.00 72.50 68.62 1lt6 s THR 80 CO 0.00 0.12 1.24 -0.54 -0.69 0.00 0.00 174.62 174.75 1lt6 s LYS 81 N 0.81 4.15 -0.17 4.92 1.02 -1.26 -4.41 119.74 124.80 1lt6 s LYS 81 Ca 0.59 2.04 -0.08 0.00 0.02 0.00 0.00 55.97 58.54 1lt6 s LYS 81 Cb -0.33 -2.85 -0.04 0.00 -0.52 0.00 0.00 37.83 34.09 1lt6 s LYS 81 CO 0.31 -0.30 0.09 0.42 -0.92 0.00 0.00 175.35 174.96 1lt6 s ILE 82 N -1.27 5.08 0.00 2.17 -1.09 0.37 -4.55 121.20 121.91 1lt6 s ILE 82 Ca 0.54 0.06 0.00 0.00 -2.23 0.00 0.00 60.65 59.02 1lt6 s ILE 82 Cb -0.36 -3.28 0.00 0.00 -1.58 0.00 0.00 42.46 37.25 1lt6 s ILE 82 CO 0.46 0.49 0.00 -0.67 -1.23 0.00 0.00 174.94 173.99 1lt6 n ASP 83 N 3.19 0.00 -4.49 3.58 2.03 0.65 -0.88 116.55 120.64 1lt6 n ASP 83 Ca -0.17 0.11 -0.23 0.00 0.52 0.00 0.00 54.79 55.01 1lt6 n ASP 83 Cb 0.53 -0.12 -0.11 0.00 -0.72 0.00 0.00 41.12 40.70 1lt6 n ASP 83 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1lt6 s LYS 84 N -0.24 1.69 -0.03 -0.67 1.02 -1.03 -1.77 119.74 118.71 1lt6 s LYS 84 Ca 0.00 -1.88 0.01 0.00 0.02 0.00 0.00 55.97 54.12 1lt6 s LYS 84 Cb 0.00 -1.32 0.02 0.00 -0.52 0.00 0.00 37.83 36.01 1lt6 s LYS 84 CO 0.00 0.02 -0.05 -0.51 -0.92 0.00 0.00 175.35 173.89 1lt6 s LEU 85 N -3.53 1.51 -0.30 3.17 2.01 -0.25 -2.38 118.68 118.92 1lt6 s LEU 85 Ca 0.32 -0.13 -0.05 0.00 0.01 0.00 0.00 54.13 54.28 1lt6 s LEU 85 Cb 0.05 -0.43 0.03 0.00 0.01 0.00 0.00 46.19 45.85 1lt6 s LEU 85 CO 0.14 -0.02 0.04 0.00 1.01 0.00 0.00 176.35 177.53 1lt6 s VAL 87 N 1.40 1.63 -0.05 0.00 -7.23 -0.46 0.31 120.40 116.00 1lt6 s VAL 87 Ca -0.00 -1.64 -0.27 0.00 -1.81 0.00 0.00 61.98 58.26 1lt6 s VAL 87 Cb -0.18 -1.58 -0.03 0.00 0.56 0.00 0.00 36.38 35.16 1lt6 s VAL 87 CO 0.00 -0.19 0.87 0.26 -0.31 0.00 0.00 175.10 175.74 1lt6 s TRP 88 N -1.53 3.59 -2.01 2.82 0.51 0.19 -1.29 118.94 121.23 1lt6 s TRP 88 Ca 0.08 1.48 0.19 0.00 -2.12 0.00 0.00 56.10 55.73 1lt6 s TRP 88 Cb -0.08 -3.01 0.54 0.00 -0.81 0.00 0.00 33.47 30.11 1lt6 s TRP 88 CO 0.04 -0.03 1.45 0.27 -0.51 0.00 0.00 176.95 178.18 1lt6 n ASN 89 N 4.14 3.28 -1.94 2.95 0.23 0.13 -1.83 115.26 122.22 1lt6 n ASN 89 Ca 0.04 -2.00 -0.19 0.00 -0.53 0.00 0.00 54.58 51.90 1lt6 n ASN 89 Cb 0.51 -0.41 0.18 0.00 -2.08 0.00 0.00 39.78 37.98 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 1.30 3.54 -3.90 0.53 6.94 -1.26 -4.92 115.26 117.49 1lt6 n ASN 90 Ca 0.21 -3.67 -0.11 0.00 -0.02 0.00 0.00 54.58 50.99 1lt6 n ASN 90 Cb 0.52 -0.79 -0.10 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 -3.31 0.41 -0.18 -3.83 -0.14 -1.26 -5.09 119.74 106.33 1lt6 s LYS 91 Ca 0.54 -0.41 0.00 0.00 -1.36 0.00 0.00 55.97 54.74 1lt6 s LYS 91 Cb 0.46 0.17 0.04 0.00 -1.68 0.00 0.00 37.83 36.82 1lt6 s LYS 91 CO 0.07 -0.09 -0.09 0.99 -0.76 0.00 0.00 175.35 175.47 1lt6 s THR 92 N -1.28 1.48 1.00 2.17 2.01 -1.26 -2.49 115.64 117.27 1lt6 s THR 92 Ca -0.14 -0.86 -0.15 0.00 0.31 0.00 0.00 61.69 60.86 1lt6 s THR 92 Cb -0.08 -1.57 0.19 0.00 0.01 0.00 0.00 72.50 71.06 1lt6 s THR 92 CO 0.01 0.19 1.17 -2.16 -0.69 0.00 0.00 174.62 173.14 1lt6 s PRO 93 N 1.47 0.41 0.45 4.92 0.04 -1.26 -5.07 135.00 135.96 1lt6 s PRO 93 Ca 0.00 0.06 -0.25 0.00 0.04 0.00 0.00 61.00 60.85 1lt6 s PRO 93 Cb -0.16 -1.77 -0.09 0.00 0.04 0.00 0.00 34.50 32.52 1lt6 s PRO 93 CO -0.08 -2.65 1.40 0.09 0.04 0.00 0.00 177.00 175.79 1lt6 n ASN 94 N -4.04 3.14 -4.72 6.66 5.03 -1.04 -4.67 115.26 115.62 1lt6 n ASN 94 Ca 0.10 1.11 -0.36 0.00 0.87 0.00 0.00 54.58 56.30 1lt6 n ASN 94 Cb 0.59 -1.58 -0.08 0.00 -1.02 0.00 0.00 39.78 37.69 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 -0.49 6.29 0.07 6.41 0.15 -0.76 -2.14 113.70 123.23 1lt6 s SER 95 Ca 0.61 0.33 -0.31 0.00 0.70 0.00 0.00 55.95 57.29 1lt6 s SER 95 Cb -0.46 -2.13 -0.07 0.00 -1.71 0.00 0.00 66.02 61.65 1lt6 s SER 95 CO 0.57 0.13 1.36 -0.63 1.20 0.00 0.00 173.24 175.87 1lt6 s ILE 96 N 0.50 3.56 -0.14 6.45 1.01 -0.43 0.57 121.20 132.72 1lt6 s ILE 96 Ca 0.11 1.08 0.04 0.00 0.00 0.00 0.00 60.65 61.88 1lt6 s ILE 96 Cb -0.12 -3.69 -0.12 0.00 0.01 0.00 0.00 42.46 38.54 1lt6 s ILE 96 CO 0.01 0.06 -0.08 0.00 0.00 0.00 0.00 174.94 174.93 1lt6 n ALA 97 N 4.40 1.68 -3.23 9.38 0.00 0.15 -4.88 120.51 128.01 1lt6 n ALA 97 Ca 0.12 -0.71 -0.10 0.00 0.00 0.00 0.00 53.44 52.75 1lt6 n ALA 97 Cb 0.43 0.09 -0.04 0.00 0.00 0.00 0.00 19.45 19.93 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 -2.30 -0.81 0.03 0.00 0.00 -1.02 -4.99 121.76 112.66 1lt6 s ALA 98 Ca -0.16 -0.32 -0.02 0.00 0.00 0.00 0.00 51.96 51.46 1lt6 s ALA 98 Cb 0.05 0.86 -0.02 0.00 0.00 0.00 0.00 23.12 24.00 1lt6 s ALA 98 CO 0.41 -0.79 0.01 -1.50 0.00 0.00 0.00 175.76 173.89 1lt6 s ILE 99 N -3.89 0.14 -0.02 0.00 2.07 -1.26 -2.39 121.20 115.85 1lt6 s ILE 99 Ca 0.10 -1.16 -0.05 0.00 -1.41 0.00 0.00 60.65 58.14 1lt6 s ILE 99 Cb -0.00 -0.72 0.00 0.00 0.13 0.00 0.00 42.46 41.87 1lt6 s ILE 99 CO -0.02 -0.64 0.10 -0.94 -1.91 0.00 0.00 174.94 171.53 1lt6 s SER 100 N -1.96 -0.02 0.05 4.50 1.04 -1.00 -4.98 113.70 111.33 1lt6 s SER 100 Ca -0.08 -0.03 0.02 0.00 0.48 0.00 0.00 55.95 56.34 1lt6 s SER 100 Cb -0.03 0.21 -0.03 0.00 0.10 0.00 0.00 66.02 66.27 1lt6 s SER 100 CO -0.04 -0.20 -0.07 -0.04 0.98 0.00 0.00 173.24 173.87 1lt6 s MET 101 N -0.68 0.58 0.12 4.02 -1.94 -1.26 -0.25 119.30 119.88 1lt6 s MET 101 Ca -0.08 -0.87 -0.15 0.00 -1.71 0.00 0.00 55.69 52.88 1lt6 s MET 101 Cb -0.05 -0.24 0.03 0.00 2.01 0.00 0.00 34.83 36.58 1lt6 s MET 101 CO 0.00 0.03 0.37 -1.59 -0.01 0.00 0.00 175.02 173.83 1lt6 s LYS 102 N -2.06 1.04 0.00 2.03 -2.85 -1.26 -4.86 119.74 111.78 1lt6 s LYS 102 Ca -0.06 -0.74 0.25 0.00 -1.00 0.00 0.00 55.97 54.42 1lt6 s LYS 102 Cb -0.07 0.45 0.38 0.00 -2.06 0.00 0.00 37.83 36.53 1lt6 s LYS 102 CO -0.01 -0.40 1.36 -1.71 0.10 0.00 0.00 175.35 174.70