#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 3.99 0.00 0.00 0.02 -1.26 -4.98 135.00 132.78 1lt6 s PRO 2 Ca 0.00 1.81 0.25 0.00 0.02 0.00 0.00 61.00 63.08 1lt6 s PRO 2 Cb 0.00 -2.61 0.43 0.00 0.02 0.00 0.00 34.50 32.34 1lt6 s PRO 2 CO 0.00 -0.36 1.36 1.04 -0.33 0.00 0.00 177.00 178.70 1lt6 n GLN 3 N -0.06 0.51 -3.93 5.54 6.02 -1.26 -4.97 117.38 119.23 1lt6 n GLN 3 Ca 0.05 -0.34 -0.09 0.00 -0.01 0.00 0.00 57.00 56.61 1lt6 n GLN 3 Cb 0.47 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 30.18 1lt6 n GLN 3 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1lt6 s THR 4 N -2.73 0.02 0.28 5.09 -4.23 -1.26 -5.05 115.64 107.77 1lt6 s THR 4 Ca 0.17 -1.26 0.09 0.00 -1.18 0.00 0.00 61.69 59.51 1lt6 s THR 4 Cb 0.18 -1.99 -0.00 0.00 1.34 0.00 0.00 72.50 72.03 1lt6 s THR 4 CO 0.63 -0.09 1.65 -0.29 -0.54 0.00 0.00 174.62 175.98 1lt6 h ILE 5 N 2.30 1.38 -0.33 2.99 2.10 -1.97 -0.14 117.51 123.85 1lt6 h ILE 5 Ca -0.28 -1.86 -0.13 0.00 1.08 0.00 0.00 64.86 63.67 1lt6 h ILE 5 Cb 1.25 1.97 -0.01 0.00 -1.09 0.00 0.00 36.82 38.94 1lt6 h ILE 5 CO 0.38 0.54 -0.31 0.74 -1.08 0.00 0.00 178.15 178.42 1lt6 h THR 6 N 0.07 1.29 -0.44 2.19 2.02 -1.99 0.44 112.91 116.50 1lt6 h THR 6 Ca -0.00 -1.48 -0.12 0.00 0.77 0.00 0.00 66.41 65.58 1lt6 h THR 6 Cb 0.98 1.49 -0.01 0.00 -1.74 0.00 0.00 68.15 68.87 1lt6 h THR 6 CO 0.08 0.48 -0.19 -0.08 0.37 0.00 0.00 175.52 176.18 1lt6 h GLU 7 N 0.57 0.86 -0.22 6.66 4.81 -1.89 -2.70 114.58 122.68 1lt6 h GLU 7 Ca 0.05 -0.34 -0.05 0.00 -0.13 0.00 0.00 59.36 58.89 1lt6 h GLU 7 Cb 0.89 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 1lt6 h GLU 7 CO 0.08 0.98 -0.08 1.25 -0.73 0.00 0.00 179.01 180.51 1lt6 h LEU 8 N 0.76 0.44 -1.85 1.64 5.85 -0.90 -3.16 115.31 118.10 1lt6 h LEU 8 Ca 0.11 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.42 1lt6 h LEU 8 Cb 0.73 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.63 1lt6 h LEU 8 CO 0.06 0.73 -0.08 0.00 -0.34 0.00 0.00 178.44 178.80 1lt6 h SER 10 N 0.00 0.54 0.24 0.00 0.02 -1.44 -2.44 113.55 110.47 1lt6 h SER 10 Ca -0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1lt6 h SER 10 Cb 0.15 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1lt6 h SER 10 CO 0.01 0.40 0.00 -0.62 -1.14 0.00 0.00 176.83 175.48 1lt6 n GLU 11 N -4.45 0.09 -4.63 3.45 1.02 -1.11 -4.73 120.64 110.28 1lt6 n GLU 11 Ca 0.04 0.24 -0.30 0.00 -0.02 0.00 0.00 57.16 57.12 1lt6 n GLU 11 Cb 0.06 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 29.85 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 -2.72 2.39 0.55 -0.32 1.51 -0.92 -5.13 117.35 112.71 1lt6 s TYR 12 Ca 0.08 -0.36 -0.08 0.00 -1.01 0.00 0.00 57.07 55.71 1lt6 s TYR 12 Cb 0.07 -1.36 -0.03 0.00 -0.11 0.00 0.00 41.96 40.53 1lt6 s TYR 12 CO 0.16 0.25 0.90 1.03 -1.11 0.00 0.00 175.55 176.78 1lt6 s ARG 13 N -1.64 3.46 -1.52 -0.62 0.52 -1.26 -4.20 118.95 113.69 1lt6 s ARG 13 Ca 0.14 0.38 -0.06 0.00 -0.52 0.00 0.00 55.73 55.67 1lt6 s ARG 13 Cb -0.10 -2.24 0.01 0.00 0.52 0.00 0.00 34.95 33.14 1lt6 s ARG 13 CO 0.05 -0.43 0.66 0.09 0.02 0.00 0.00 175.30 175.69 1lt6 n ASN 14 N -2.50 -5.92 -4.31 0.23 4.13 -1.26 -4.95 115.26 100.68 1lt6 n ASN 14 Ca 0.03 -0.33 -0.17 0.00 1.68 0.00 0.00 54.58 55.79 1lt6 n ASN 14 Cb 0.55 -4.78 -0.10 0.00 -1.54 0.00 0.00 39.78 33.91 1lt6 n ASN 14 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1lt6 s THR 15 N -3.17 1.53 -0.00 3.41 -4.23 -1.25 -0.82 115.64 111.10 1lt6 s THR 15 Ca 0.35 -2.11 -0.29 0.00 -1.18 0.00 0.00 61.69 58.45 1lt6 s THR 15 Cb -0.16 -1.93 0.07 0.00 1.34 0.00 0.00 72.50 71.82 1lt6 s THR 15 CO 0.43 -0.62 0.65 0.00 -0.54 0.00 0.00 174.62 174.54 1lt6 s GLN 16 N -3.57 1.10 0.13 3.99 -2.07 -0.84 -4.92 119.66 113.47 1lt6 s GLN 16 Ca 0.19 0.09 -0.01 0.00 -1.82 0.00 0.00 55.36 53.81 1lt6 s GLN 16 Cb -0.00 0.51 -0.04 0.00 -1.09 0.00 0.00 33.01 32.39 1lt6 s GLN 16 CO 0.04 -0.38 0.31 0.96 -1.32 0.00 0.00 175.29 174.91 1lt6 s ILE 17 N -1.76 5.27 -0.16 3.63 -5.25 -1.26 -1.75 121.20 119.93 1lt6 s ILE 17 Ca -0.08 -0.28 0.00 0.00 -0.99 0.00 0.00 60.65 59.30 1lt6 s ILE 17 Cb -0.00 -3.66 0.03 0.00 2.95 0.00 0.00 42.46 41.78 1lt6 s ILE 17 CO 0.05 0.02 -0.12 -0.31 -1.79 0.00 0.00 174.94 172.79 1lt6 s TYR 18 N -1.66 2.15 -0.51 1.37 1.51 -0.36 -4.97 117.35 114.88 1lt6 s TYR 18 Ca 0.38 -1.28 -0.25 0.00 -1.01 0.00 0.00 57.07 54.90 1lt6 s TYR 18 Cb -0.12 -1.56 0.03 0.00 -0.11 0.00 0.00 41.96 40.21 1lt6 s TYR 18 CO 0.27 -0.67 0.96 0.99 -1.11 0.00 0.00 175.55 175.99 1lt6 s THR 19 N 1.49 4.39 -0.14 -0.71 2.01 -1.26 -1.70 115.64 119.72 1lt6 s THR 19 Ca 0.03 0.56 -0.12 0.00 0.31 0.00 0.00 61.69 62.47 1lt6 s THR 19 Cb -0.14 -4.51 -0.09 0.00 0.01 0.00 0.00 72.50 67.77 1lt6 s THR 19 CO -0.10 -1.01 0.08 0.40 -0.69 0.00 0.00 174.62 173.30 1lt6 h ILE 20 N 6.06 0.43 -5.94 1.82 1.08 -0.95 -3.49 117.51 116.53 1lt6 h ILE 20 Ca -0.25 -1.43 -0.40 0.00 -0.39 0.00 0.00 64.86 62.40 1lt6 h ILE 20 Cb 1.07 0.92 0.09 0.00 -3.07 0.00 0.00 36.82 35.83 1lt6 h ILE 20 CO 1.07 0.15 -0.76 0.59 -0.69 0.00 0.00 178.15 178.50 1lt6 n ASN 21 N -4.62 -3.41 -3.64 1.72 3.02 0.03 -4.95 115.26 103.40 1lt6 n ASN 21 Ca -0.11 -0.68 -0.05 0.00 -0.03 0.00 0.00 54.58 53.70 1lt6 n ASN 21 Cb 0.31 -4.59 -0.02 0.00 -0.61 0.00 0.00 39.78 34.88 1lt6 n ASN 21 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1lt6 s ASP 22 N -3.91 -0.26 0.58 6.41 2.15 -0.68 -4.90 116.67 116.06 1lt6 s ASP 22 Ca 0.27 -0.23 -0.07 0.00 0.43 0.00 0.00 52.55 52.96 1lt6 s ASP 22 Cb -0.13 0.44 -0.01 0.00 -0.30 0.00 0.00 42.92 42.93 1lt6 s ASP 22 CO 0.77 -0.78 0.90 -1.59 -0.17 0.00 0.00 175.17 174.30 1lt6 s LYS 23 N -3.21 3.11 0.28 4.34 -2.85 -1.26 -0.18 119.74 119.97 1lt6 s LYS 23 Ca 0.09 0.14 -0.29 0.00 -1.00 0.00 0.00 55.97 54.91 1lt6 s LYS 23 Cb -0.01 -2.26 -0.09 0.00 -2.06 0.00 0.00 37.83 33.40 1lt6 s LYS 23 CO -0.03 -0.60 1.17 0.42 0.10 0.00 0.00 175.35 176.42 1lt6 s ILE 24 N -2.97 3.30 -0.17 3.79 1.01 -1.26 -4.77 121.20 120.13 1lt6 s ILE 24 Ca 0.53 1.27 -0.23 0.00 0.00 0.00 0.00 60.65 62.22 1lt6 s ILE 24 Cb -0.11 -3.81 -0.20 0.00 0.01 0.00 0.00 42.46 38.36 1lt6 s ILE 24 CO 0.46 0.28 0.42 0.25 0.00 0.00 0.00 174.94 176.36 1lt6 h LEU 25 N 3.98 0.00 -8.50 2.97 6.46 -1.17 -3.48 115.31 115.56 1lt6 h LEU 25 Ca -0.47 -0.66 -0.29 0.00 -0.12 0.00 0.00 57.88 56.35 1lt6 h LEU 25 Cb 1.22 0.00 -0.16 0.00 -0.73 0.00 0.00 40.66 40.99 1lt6 h LEU 25 CO 0.68 1.16 -0.72 -0.94 -0.62 0.00 0.00 178.44 178.00 1lt6 s SER 26 N -6.41 1.45 -0.06 1.25 1.04 -1.10 -4.98 113.70 104.89 1lt6 s SER 26 Ca -0.22 -0.93 -0.01 0.00 0.48 0.00 0.00 55.95 55.28 1lt6 s SER 26 Cb 0.01 0.03 0.03 0.00 0.10 0.00 0.00 66.02 66.19 1lt6 s SER 26 CO 0.57 -0.34 0.00 -0.47 0.98 0.00 0.00 173.24 173.97 1lt6 s TYR 27 N -3.05 0.57 -0.08 5.02 6.14 -1.26 -2.20 117.35 122.49 1lt6 s TYR 27 Ca 0.11 -0.11 0.05 0.00 0.64 0.00 0.00 57.07 57.75 1lt6 s TYR 27 Cb 0.01 -0.70 -0.01 0.00 0.42 0.00 0.00 41.96 41.69 1lt6 s TYR 27 CO -0.01 -0.27 -0.24 0.99 0.64 0.00 0.00 175.55 176.66 1lt6 s THR 28 N 1.71 2.12 -0.07 4.34 2.01 0.53 -4.99 115.64 121.29 1lt6 s THR 28 Ca 0.01 -1.02 0.03 0.00 0.31 0.00 0.00 61.69 61.01 1lt6 s THR 28 Cb -0.13 -1.79 0.01 0.00 0.01 0.00 0.00 72.50 70.60 1lt6 s THR 28 CO -0.04 0.56 -0.15 -0.70 -0.69 0.00 0.00 174.62 173.61 1lt6 s GLU 29 N 0.09 1.98 -0.03 4.92 2.12 -1.26 -0.88 118.70 125.65 1lt6 s GLU 29 Ca -0.11 -0.51 0.06 0.00 0.36 0.00 0.00 54.97 54.76 1lt6 s GLU 29 Cb -0.16 -1.60 -0.02 0.00 0.26 0.00 0.00 34.13 32.61 1lt6 s GLU 29 CO 0.06 0.06 -0.19 0.45 -0.54 0.00 0.00 175.26 175.10 1lt6 s SER 30 N 0.61 3.66 0.00 -1.70 0.15 0.04 -4.99 113.70 111.47 1lt6 s SER 30 Ca -0.15 -0.32 0.05 0.00 0.70 0.00 0.00 55.95 56.23 1lt6 s SER 30 Cb -0.16 -0.64 0.00 0.00 -1.71 0.00 0.00 66.02 63.51 1lt6 s SER 30 CO 0.05 0.32 0.47 0.80 1.20 0.00 0.00 173.24 176.08 1lt6 n MET 31 N 2.24 2.14 -2.25 5.44 1.56 -1.26 -3.02 117.12 121.98 1lt6 n MET 31 Ca -0.17 -0.47 -0.40 0.00 -0.27 0.00 0.00 57.70 56.40 1lt6 n MET 31 Cb 0.52 -0.94 -0.02 0.00 2.15 0.00 0.00 33.22 34.92 1lt6 n MET 31 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1lt6 s ALA 32 N -0.86 3.34 0.28 -5.12 0.00 -1.26 -4.87 121.76 113.27 1lt6 s ALA 32 Ca 0.04 1.08 -0.30 0.00 0.00 0.00 0.00 51.96 52.78 1lt6 s ALA 32 Cb 0.04 -3.41 -0.13 0.00 0.00 0.00 0.00 23.12 19.62 1lt6 s ALA 32 CO 0.12 -0.51 1.44 0.41 0.00 0.00 0.00 175.76 177.21 1lt6 n GLY 33 N 0.81 0.91 3.46 0.00 0.00 -1.26 -1.12 105.19 107.99 1lt6 n GLY 33 Ca 0.02 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 1.71 0.00 -2.58 1.61 5.02 -1.26 -4.78 118.16 117.88 1lt6 n LYS 34 Ca 0.09 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.29 1lt6 n LYS 34 Cb 0.34 -3.27 0.04 0.00 -0.02 0.00 0.00 35.03 32.12 1lt6 n LYS 34 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1lt6 n ARG 35 N -2.00 2.25 -2.69 1.97 5.12 -0.27 -5.00 116.66 116.04 1lt6 n ARG 35 Ca 0.00 -3.71 -0.42 0.00 -1.93 0.00 0.00 57.85 51.79 1lt6 n ARG 35 Cb 0.00 -1.77 -0.03 0.00 -1.16 0.00 0.00 32.46 29.50 1lt6 n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1lt6 s GLU 36 N -3.63 3.53 0.25 5.56 8.01 -1.15 -4.31 118.70 126.96 1lt6 s GLU 36 Ca 0.35 -1.23 -0.05 0.00 0.01 0.00 0.00 54.97 54.04 1lt6 s GLU 36 Cb 0.37 -5.06 0.02 0.00 -4.31 0.00 0.00 34.13 25.15 1lt6 s GLU 36 CO -0.02 -2.05 0.41 0.00 0.01 0.00 0.00 175.26 173.62 1lt6 n MET 37 N 8.14 0.60 -4.22 1.61 0.00 -1.17 -4.24 117.12 117.84 1lt6 n MET 37 Ca 0.26 -1.68 -0.17 0.00 0.00 0.00 0.00 57.70 56.11 1lt6 n MET 37 Cb 0.50 1.81 -0.15 0.00 0.00 0.00 0.00 33.22 35.38 1lt6 n MET 37 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1lt6 s VAL 38 N -2.56 0.50 -0.04 3.17 1.01 -1.24 -0.78 120.40 120.46 1lt6 s VAL 38 Ca 0.15 -0.26 0.03 0.00 0.00 0.00 0.00 61.98 61.90 1lt6 s VAL 38 Cb -0.02 -0.43 0.00 0.00 0.00 0.00 0.00 36.38 35.94 1lt6 s VAL 38 CO 0.11 0.14 -0.11 -0.63 0.00 0.00 0.00 175.10 174.62 1lt6 s ILE 39 N -0.10 0.94 0.11 2.22 1.01 -0.06 -1.44 121.20 123.88 1lt6 s ILE 39 Ca 0.02 -0.43 0.08 0.00 0.00 0.00 0.00 60.65 60.31 1lt6 s ILE 39 Cb -0.03 -0.84 -0.04 0.00 0.01 0.00 0.00 42.46 41.56 1lt6 s ILE 39 CO -0.00 0.29 -0.19 0.27 0.00 0.00 0.00 174.94 175.31 1lt6 s ILE 40 N 0.29 1.60 0.10 2.92 -4.36 0.62 -0.35 121.20 122.01 1lt6 s ILE 40 Ca -0.06 -1.57 0.02 0.00 -0.26 0.00 0.00 60.65 58.78 1lt6 s ILE 40 Cb -0.11 -1.52 -0.04 0.00 1.25 0.00 0.00 42.46 42.04 1lt6 s ILE 40 CO 0.01 -0.16 -0.06 0.42 0.24 0.00 0.00 174.94 175.39 1lt6 s THR 41 N -1.40 0.68 0.34 8.37 -4.23 -0.93 -0.74 115.64 117.73 1lt6 s THR 41 Ca 0.07 -1.93 0.09 0.00 -1.18 0.00 0.00 61.69 58.73 1lt6 s THR 41 Cb -0.09 -1.68 -0.07 0.00 1.34 0.00 0.00 72.50 72.00 1lt6 s THR 41 CO 0.04 -0.88 -0.07 -0.36 -0.54 0.00 0.00 174.62 172.81 1lt6 s PHE 42 N -3.63 2.33 0.50 3.99 0.08 -0.57 -0.57 117.98 120.10 1lt6 s PHE 42 Ca 0.12 -0.57 0.18 0.00 0.12 0.00 0.00 56.93 56.78 1lt6 s PHE 42 Cb 0.05 -1.38 1.26 0.00 -0.57 0.00 0.00 43.02 42.38 1lt6 s PHE 42 CO -0.05 0.50 2.10 -0.22 -0.10 0.00 0.00 175.22 177.46 1lt6 h LYS 43 N 2.04 0.00 0.00 0.44 3.11 -1.90 -0.68 116.57 119.58 1lt6 h LYS 43 Ca -0.42 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.42 1lt6 h LYS 43 Cb 1.25 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.48 1lt6 h LYS 43 CO 0.71 0.07 0.00 -1.13 -2.81 0.00 0.00 179.45 176.29 1lt6 n SER 44 N -4.32 0.07 0.00 4.20 3.41 -1.26 -4.87 113.62 110.86 1lt6 n SER 44 Ca -0.03 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 1lt6 n SER 44 Cb 0.15 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 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 -0.16 1.33 3.74 5.00 0.00 -0.26 -5.05 105.19 109.79 1lt6 n GLY 45 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1lt6 n GLY 45 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1lt6 s GLU 46 N -0.88 4.54 -0.06 1.61 1.03 -1.26 -4.79 118.70 118.89 1lt6 s GLU 46 Ca 0.00 1.84 0.04 0.00 0.03 0.00 0.00 54.97 56.87 1lt6 s GLU 46 Cb 0.00 -3.24 -0.02 0.00 -0.80 0.00 0.00 34.13 30.07 1lt6 s GLU 46 CO 0.00 -0.00 -0.17 0.99 -1.33 0.00 0.00 175.26 174.75 1lt6 s THR 47 N -0.32 2.83 0.04 1.83 2.01 -1.26 -1.52 115.64 119.25 1lt6 s THR 47 Ca 0.50 -0.80 0.00 0.00 0.31 0.00 0.00 61.69 61.71 1lt6 s THR 47 Cb -0.32 -2.10 -0.03 0.00 0.01 0.00 0.00 72.50 70.06 1lt6 s THR 47 CO 0.37 0.58 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.48 1lt6 s PHE 48 N -0.47 0.48 0.26 4.92 0.08 0.08 -3.98 117.98 119.35 1lt6 s PHE 48 Ca 0.06 -0.69 0.05 0.00 0.12 0.00 0.00 56.93 56.46 1lt6 s PHE 48 Cb -0.12 -0.32 -0.06 0.00 -0.57 0.00 0.00 43.02 41.96 1lt6 s PHE 48 CO 0.02 -0.21 -0.02 1.14 -0.10 0.00 0.00 175.22 176.05 1lt6 s GLN 49 N -2.33 1.45 -0.25 0.44 -2.07 -0.60 -0.27 119.66 116.02 1lt6 s GLN 49 Ca -0.06 -1.74 0.01 0.00 -1.82 0.00 0.00 55.36 51.75 1lt6 s GLN 49 Cb -0.04 -0.84 0.05 0.00 -1.09 0.00 0.00 33.01 31.08 1lt6 s GLN 49 CO -0.03 -0.06 -0.10 0.08 -1.32 0.00 0.00 175.29 173.86 1lt6 s VAL 50 N -3.26 2.41 0.82 3.63 1.01 -0.52 -1.58 120.40 122.92 1lt6 s VAL 50 Ca 0.30 -1.37 -0.13 0.00 0.00 0.00 0.00 61.98 60.78 1lt6 s VAL 50 Cb 0.05 -2.32 0.09 0.00 0.00 0.00 0.00 36.38 34.21 1lt6 s VAL 50 CO 0.11 0.09 1.19 -1.61 0.00 0.00 0.00 175.10 174.87 1lt6 s GLU 51 N 1.20 1.58 0.47 2.72 2.02 -1.26 -3.60 118.70 121.82 1lt6 s GLU 51 Ca -0.04 1.69 -0.22 0.00 0.02 0.00 0.00 54.97 56.41 1lt6 s GLU 51 Cb -0.18 -1.78 -0.07 0.00 0.10 0.00 0.00 34.13 32.20 1lt6 s GLU 51 CO -0.06 -2.24 1.12 0.08 0.02 0.00 0.00 175.26 174.19 1lt6 s VAL 52 N -2.27 3.30 0.73 2.63 1.01 -1.26 -4.92 120.40 119.61 1lt6 s VAL 52 Ca 0.71 0.92 -0.16 0.00 0.00 0.00 0.00 61.98 63.46 1lt6 s VAL 52 Cb -0.27 -3.44 0.03 0.00 0.00 0.00 0.00 36.38 32.70 1lt6 s VAL 52 CO 0.52 -0.06 1.22 -2.65 0.00 0.00 0.00 175.10 174.13 1lt6 n PRO 53 N -0.62 0.63 -2.80 2.72 -0.02 -1.26 -4.97 135.00 128.68 1lt6 n PRO 53 Ca 0.08 0.28 0.01 0.00 -2.02 0.00 0.00 63.50 61.85 1lt6 n PRO 53 Cb 0.49 -2.46 0.01 0.00 -0.02 0.00 0.00 33.50 31.52 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 0.77 0.57 0.37 -1.23 0.00 -1.26 -5.04 105.19 99.37 1lt6 n GLY 54 Ca 0.15 -0.96 0.19 0.00 0.00 0.00 0.00 46.02 45.40 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 0.94 0.00 0.23 1.61 0.02 -2.03 -1.24 113.55 113.07 1lt6 h SER 55 Ca -0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1lt6 h SER 55 Cb 0.56 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1lt6 h SER 55 CO 0.15 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.84 1lt6 n GLN 56 N -4.30 0.57 -3.89 3.45 -0.00 -1.26 -4.74 117.38 107.21 1lt6 n GLN 56 Ca 0.08 0.03 -0.35 0.00 -0.00 0.00 0.00 57.00 56.76 1lt6 n GLN 56 Cb 0.56 -1.50 -0.08 0.00 -0.00 0.00 0.00 30.24 29.22 1lt6 n GLN 56 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1lt6 s HIS 57 N -2.28 3.38 0.48 2.61 3.76 -0.47 -5.10 115.29 117.66 1lt6 s HIS 57 Ca 0.31 0.27 -0.03 0.00 -0.15 0.00 0.00 55.06 55.46 1lt6 s HIS 57 Cb 0.17 -2.06 -0.02 0.00 1.11 0.00 0.00 32.58 31.78 1lt6 s HIS 57 CO 0.33 0.35 0.75 0.96 -0.85 0.00 0.00 174.74 176.28 1lt6 s ILE 58 N 0.01 4.38 0.27 0.60 -4.36 -1.26 -4.91 121.20 115.92 1lt6 s ILE 58 Ca 0.08 -0.14 -0.06 0.00 -0.26 0.00 0.00 60.65 60.28 1lt6 s ILE 58 Cb -0.12 -3.66 0.37 0.00 1.25 0.00 0.00 42.46 40.31 1lt6 s ILE 58 CO 0.00 -0.57 1.59 0.44 0.24 0.00 0.00 174.94 176.64 1lt6 h ASP 59 N 0.25 -0.60 0.41 4.36 5.19 -1.99 -1.30 116.42 122.74 1lt6 h ASP 59 Ca -0.47 0.25 -0.00 0.00 -0.62 0.00 0.00 57.03 56.19 1lt6 h ASP 59 Cb 1.23 0.48 -0.00 0.00 0.18 0.00 0.00 39.33 41.22 1lt6 h ASP 59 CO 0.60 -0.28 -0.02 0.77 -3.12 0.00 0.00 179.24 177.19 1lt6 h SER 60 N 0.03 0.00 0.97 6.45 4.64 -2.03 -2.46 113.55 121.16 1lt6 h SER 60 Ca 0.47 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.58 1lt6 h SER 60 Cb 0.84 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.90 1lt6 h SER 60 CO -0.85 0.02 -1.02 1.56 -0.87 0.00 0.00 176.83 175.66 1lt6 h GLN 61 N 0.00 0.02 -0.77 4.77 4.20 -1.61 -3.27 115.11 118.44 1lt6 h GLN 61 Ca -0.00 -0.03 0.13 0.00 0.06 0.00 0.00 58.65 58.80 1lt6 h GLN 61 Cb 0.23 0.01 -0.09 0.00 0.30 0.00 0.00 27.48 27.93 1lt6 h GLN 61 CO 0.00 1.01 0.37 0.87 -0.67 0.00 0.00 178.83 180.41 1lt6 h LYS 62 N 0.01 0.55 -0.00 1.46 1.79 -1.43 0.55 116.57 119.49 1lt6 h LYS 62 Ca -0.02 -0.03 -0.18 0.00 -2.18 0.00 0.00 60.65 58.24 1lt6 h LYS 62 Cb 1.78 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 32.29 1lt6 h LYS 62 CO 0.13 0.36 -0.81 1.57 -1.08 0.00 0.00 179.45 179.62 1lt6 h LYS 63 N 0.56 0.12 0.00 3.15 5.09 -1.70 -3.14 116.57 120.65 1lt6 h LYS 63 Ca 0.41 -0.12 -0.12 0.00 0.09 0.00 0.00 60.65 60.91 1lt6 h LYS 63 Cb 0.55 0.03 -0.02 0.00 0.10 0.00 0.00 32.23 32.89 1lt6 h LYS 63 CO -0.34 0.86 -0.57 0.00 -2.09 0.00 0.00 179.45 177.31 1lt6 h ALA 64 N 1.09 0.82 -0.52 0.07 0.00 -1.13 -2.79 119.26 116.81 1lt6 h ALA 64 Ca -0.03 -0.52 -0.11 0.00 0.00 0.00 0.00 54.91 54.26 1lt6 h ALA 64 Cb 1.42 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1lt6 h ALA 64 CO 0.12 0.71 -0.11 0.82 0.00 0.00 0.00 179.25 180.79 1lt6 h ILE 65 N 0.00 1.27 -0.39 0.00 2.04 0.06 -1.34 117.51 119.14 1lt6 h ILE 65 Ca -0.01 -1.25 -0.12 0.00 1.00 0.00 0.00 64.86 64.49 1lt6 h ILE 65 Cb 1.19 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 1lt6 h ILE 65 CO 0.07 0.44 -0.22 -0.33 0.00 0.00 0.00 178.15 178.11 1lt6 h GLU 66 N 0.86 0.78 -0.42 2.37 4.39 -1.52 -2.64 114.58 118.40 1lt6 h GLU 66 Ca 0.14 -0.31 -0.07 0.00 0.34 0.00 0.00 59.36 59.45 1lt6 h GLU 66 Cb 0.66 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 1lt6 h GLU 66 CO 0.05 0.93 -0.04 -0.09 -1.16 0.00 0.00 179.01 178.69 1lt6 h ARG 67 N 0.68 0.70 -0.43 2.33 2.43 -1.21 -1.39 114.38 117.49 1lt6 h ARG 67 Ca 0.09 -0.19 -0.11 0.00 -0.81 0.00 0.00 59.98 58.96 1lt6 h ARG 67 Cb 0.73 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 1lt6 h ARG 67 CO 0.06 0.75 -0.16 1.98 -1.51 0.00 0.00 179.97 181.08 1lt6 h MET 68 N 0.65 0.86 -0.66 0.20 4.05 -1.14 0.49 114.93 119.38 1lt6 h MET 68 Ca 0.12 -0.36 -0.06 0.00 -0.28 0.00 0.00 59.70 59.13 1lt6 h MET 68 Cb 0.47 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.21 1lt6 h MET 68 CO 0.02 1.00 0.18 0.87 0.23 0.00 0.00 176.91 179.21 1lt6 h LYS 69 N 0.69 1.02 0.42 0.39 1.57 -1.23 0.66 116.57 120.09 1lt6 h LYS 69 Ca 0.10 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 1lt6 h LYS 69 Cb 0.72 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1lt6 h LYS 69 CO 0.05 0.89 -0.20 -0.44 -0.57 0.00 0.00 179.45 179.18 1lt6 h ASP 70 N 0.98 -0.48 -0.53 0.86 3.32 -0.92 -2.23 116.42 117.41 1lt6 h ASP 70 Ca 0.21 -0.05 0.09 0.00 0.02 0.00 0.00 57.03 57.31 1lt6 h ASP 70 Cb 0.31 0.12 -0.08 0.00 0.22 0.00 0.00 39.33 39.91 1lt6 h ASP 70 CO -0.00 -0.25 0.09 0.74 -1.72 0.00 0.00 179.24 178.10 1lt6 h THR 71 N -0.69 0.68 -0.15 0.35 2.02 -0.49 -1.57 112.91 113.06 1lt6 h THR 71 Ca -0.06 -0.07 0.03 0.00 0.77 0.00 0.00 66.41 67.08 1lt6 h THR 71 Cb 0.50 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 1lt6 h THR 71 CO 0.10 0.04 -0.06 -0.07 0.37 0.00 0.00 175.52 175.90 1lt6 h LEU 72 N 0.22 -0.19 -0.41 2.58 3.38 -0.78 0.52 115.31 120.62 1lt6 h LEU 72 Ca 0.27 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.32 1lt6 h LEU 72 Cb 0.38 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1lt6 h LEU 72 CO -0.37 -0.08 0.20 -0.09 0.09 0.00 0.00 178.44 178.20 1lt6 h ARG 73 N -0.03 0.40 -0.38 1.13 2.43 -0.75 -0.16 114.38 117.03 1lt6 h ARG 73 Ca 0.08 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.15 1lt6 h ARG 73 Cb 0.15 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1lt6 h ARG 73 CO -0.17 0.26 -0.08 0.97 -1.51 0.00 0.00 179.97 179.44 1lt6 h ILE 74 N 0.41 1.24 -0.09 1.20 6.09 -0.98 -0.48 117.51 124.91 1lt6 h ILE 74 Ca 0.17 -1.04 -0.01 0.00 -1.37 0.00 0.00 64.86 62.62 1lt6 h ILE 74 Cb 0.08 1.04 -0.00 0.00 0.47 0.00 0.00 36.82 38.41 1lt6 h ILE 74 CO -0.12 0.35 0.03 0.74 -3.07 0.00 0.00 178.15 176.08 1lt6 h THR 75 N 0.60 1.17 -0.45 2.19 2.02 -0.40 -0.60 112.91 117.43 1lt6 h THR 75 Ca 0.11 -0.52 -0.02 0.00 0.77 0.00 0.00 66.41 66.74 1lt6 h THR 75 Cb 0.50 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 1lt6 h THR 75 CO 0.03 0.15 0.19 0.22 0.37 0.00 0.00 175.52 176.48 1lt6 h TYR 76 N -0.05 0.68 -0.52 3.16 3.20 -0.82 -0.94 116.97 121.69 1lt6 h TYR 76 Ca 0.03 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 1lt6 h TYR 76 Cb 0.21 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.25 1lt6 h TYR 76 CO -0.00 0.57 0.26 -0.07 -1.64 0.00 0.00 178.16 177.28 1lt6 h LEU 77 N 0.59 0.64 -1.34 2.82 3.38 -0.83 -2.68 115.31 117.89 1lt6 h LEU 77 Ca 0.15 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1lt6 h LEU 77 Cb 0.17 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1lt6 h LEU 77 CO -0.01 0.54 0.00 0.35 0.09 0.00 0.00 178.44 179.40 1lt6 n THR 78 N -4.39 0.05 -3.09 0.22 -2.24 -0.25 -4.94 114.28 99.64 1lt6 n THR 78 Ca 0.04 -0.36 -0.22 0.00 -2.27 0.00 0.00 64.05 61.24 1lt6 n THR 78 Cb 0.12 0.80 0.02 0.00 -2.10 0.00 0.00 70.33 69.16 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 0.61 -4.02 -2.52 -0.78 1.02 -0.40 -4.93 120.64 109.62 1lt6 n GLU 79 Ca 0.17 0.72 -0.42 0.00 -0.02 0.00 0.00 57.16 57.62 1lt6 n GLU 79 Cb 0.44 -5.50 -0.03 0.00 -0.02 0.00 0.00 31.44 26.32 1lt6 n GLU 79 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1lt6 s THR 80 N -3.04 4.29 0.05 2.62 2.01 -0.94 -4.81 115.64 115.83 1lt6 s THR 80 Ca 0.31 1.67 -0.30 0.00 0.31 0.00 0.00 61.69 63.67 1lt6 s THR 80 Cb -0.15 -4.07 -0.09 0.00 0.01 0.00 0.00 72.50 68.20 1lt6 s THR 80 CO 0.38 0.14 1.90 -0.75 -0.69 0.00 0.00 174.62 175.60 1lt6 s LYS 81 N 0.93 4.14 0.18 4.92 2.47 -1.26 -4.52 119.74 126.60 1lt6 s LYS 81 Ca 0.56 2.57 -0.26 0.00 -1.56 0.00 0.00 55.97 57.28 1lt6 s LYS 81 Cb -0.27 -3.99 -0.08 0.00 -1.46 0.00 0.00 37.83 32.03 1lt6 s LYS 81 CO 0.29 -0.91 0.80 0.42 0.16 0.00 0.00 175.35 176.11 1lt6 s ILE 82 N 3.94 4.33 -0.22 5.43 -1.09 0.75 -3.81 121.20 130.53 1lt6 s ILE 82 Ca 0.85 1.77 -0.16 0.00 -2.23 0.00 0.00 60.65 60.88 1lt6 s ILE 82 Cb -0.43 -4.17 -0.09 0.00 -1.58 0.00 0.00 42.46 36.19 1lt6 s ILE 82 CO 0.39 0.52 -0.29 -0.67 -1.23 0.00 0.00 174.94 173.66 1lt6 n ASP 83 N 1.60 1.93 -3.84 3.58 2.03 0.12 -0.79 116.55 121.18 1lt6 n ASP 83 Ca -0.05 0.37 -0.10 0.00 0.52 0.00 0.00 54.79 55.53 1lt6 n ASP 83 Cb 0.48 -0.80 -0.08 0.00 -0.72 0.00 0.00 41.12 40.00 1lt6 n ASP 83 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1lt6 s LYS 84 N -2.64 0.77 -0.01 -0.67 2.20 -1.02 -0.38 119.74 117.99 1lt6 s LYS 84 Ca -0.32 -0.74 0.03 0.00 -0.36 0.00 0.00 55.97 54.58 1lt6 s LYS 84 Cb 0.08 0.32 -0.00 0.00 -1.51 0.00 0.00 37.83 36.72 1lt6 s LYS 84 CO 0.45 -0.24 -0.09 -0.51 -0.36 0.00 0.00 175.35 174.60 1lt6 s LEU 85 N -2.39 1.96 -0.18 5.43 1.43 -0.69 -0.43 118.68 123.81 1lt6 s LEU 85 Ca -0.01 -0.16 -0.06 0.00 -1.03 0.00 0.00 54.13 52.87 1lt6 s LEU 85 Cb 0.01 -0.47 -0.03 0.00 0.03 0.00 0.00 46.19 45.73 1lt6 s LEU 85 CO -0.07 0.10 0.02 0.00 0.23 0.00 0.00 176.35 176.63 1lt6 s VAL 87 N 0.45 0.71 -0.33 0.00 -7.23 -0.71 0.27 120.40 113.56 1lt6 s VAL 87 Ca 0.00 -1.77 -0.18 0.00 -1.81 0.00 0.00 61.98 58.22 1lt6 s VAL 87 Cb -0.13 -1.48 -0.01 0.00 0.56 0.00 0.00 36.38 35.31 1lt6 s VAL 87 CO 0.02 -0.76 0.52 0.26 -0.31 0.00 0.00 175.10 174.83 1lt6 s TRP 88 N -3.14 3.20 -2.12 2.82 0.51 -0.26 -2.00 118.94 117.95 1lt6 s TRP 88 Ca 0.08 0.32 0.22 0.00 -2.12 0.00 0.00 56.10 54.60 1lt6 s TRP 88 Cb 0.02 -2.89 1.16 0.00 -0.81 0.00 0.00 33.47 30.95 1lt6 s TRP 88 CO -0.03 -0.48 1.77 0.27 -0.51 0.00 0.00 176.95 177.97 1lt6 n ASN 89 N 5.71 0.56 -1.25 2.95 2.04 0.00 -2.81 115.26 122.47 1lt6 n ASN 89 Ca -0.04 -1.42 0.01 0.00 -0.44 0.00 0.00 54.58 52.69 1lt6 n ASN 89 Cb 0.49 -0.03 0.18 0.00 -2.53 0.00 0.00 39.78 37.90 1lt6 n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 1lt6 n ASN 90 N -0.46 3.35 -4.04 0.53 6.94 -1.26 -4.84 115.26 115.48 1lt6 n ASN 90 Ca 0.17 -2.51 -0.08 0.00 -0.02 0.00 0.00 54.58 52.14 1lt6 n ASN 90 Cb 0.17 -0.60 -0.10 0.00 -2.36 0.00 0.00 39.78 36.88 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 -1.83 0.48 -0.18 -3.83 -0.14 -1.25 -5.09 119.74 107.88 1lt6 s LYS 91 Ca 0.27 -0.95 -0.01 0.00 -1.36 0.00 0.00 55.97 53.93 1lt6 s LYS 91 Cb 0.21 0.17 0.05 0.00 -1.68 0.00 0.00 37.83 36.57 1lt6 s LYS 91 CO 0.07 -0.08 -0.03 0.99 -0.76 0.00 0.00 175.35 175.54 1lt6 s THR 92 N -2.82 1.06 1.09 2.17 2.01 -1.26 -2.90 115.64 115.00 1lt6 s THR 92 Ca -0.03 -0.73 -0.14 0.00 0.31 0.00 0.00 61.69 61.10 1lt6 s THR 92 Cb -0.00 -1.33 0.24 0.00 0.01 0.00 0.00 72.50 71.42 1lt6 s THR 92 CO -0.06 0.01 1.07 -2.84 -0.69 0.00 0.00 174.62 172.12 1lt6 s PRO 93 N 1.64 -0.34 0.46 4.92 0.02 -1.26 -5.08 135.00 135.36 1lt6 s PRO 93 Ca -0.01 0.44 -0.24 0.00 0.02 0.00 0.00 61.00 61.21 1lt6 s PRO 93 Cb -0.16 -1.65 -0.07 0.00 0.02 0.00 0.00 34.50 32.63 1lt6 s PRO 93 CO -0.07 -3.23 1.28 -0.80 -0.33 0.00 0.00 177.00 173.84 1lt6 s ASN 94 N -3.33 6.01 -0.15 2.53 0.02 -1.14 -4.66 114.94 114.22 1lt6 s ASN 94 Ca 0.67 2.58 -0.19 0.00 -1.02 0.00 0.00 52.86 54.91 1lt6 s ASN 94 Cb -0.18 -2.63 -0.04 0.00 0.02 0.00 0.00 41.25 38.42 1lt6 s ASN 94 CO 0.59 -1.05 0.52 -0.55 0.02 0.00 0.00 177.10 176.63 1lt6 s SER 95 N -0.97 6.67 0.11 -1.22 0.15 -1.12 -1.56 113.70 115.76 1lt6 s SER 95 Ca 0.62 0.80 -0.31 0.00 0.70 0.00 0.00 55.95 57.77 1lt6 s SER 95 Cb -0.36 -2.30 -0.07 0.00 -1.71 0.00 0.00 66.02 61.57 1lt6 s SER 95 CO 0.45 -0.09 1.29 -0.63 1.20 0.00 0.00 173.24 175.46 1lt6 s ILE 96 N 1.08 3.57 -0.18 6.45 1.01 -0.61 -1.11 121.20 131.41 1lt6 s ILE 96 Ca 0.27 1.17 0.06 0.00 0.00 0.00 0.00 60.65 62.14 1lt6 s ILE 96 Cb -0.15 -3.75 -0.15 0.00 0.01 0.00 0.00 42.46 38.41 1lt6 s ILE 96 CO 0.11 0.11 -0.09 0.00 0.00 0.00 0.00 174.94 175.07 1lt6 n ALA 97 N 3.63 1.59 -3.49 9.38 0.00 0.14 -4.91 120.51 126.85 1lt6 n ALA 97 Ca 0.09 -0.92 -0.10 0.00 0.00 0.00 0.00 53.44 52.51 1lt6 n ALA 97 Cb 0.44 -0.01 -0.02 0.00 0.00 0.00 0.00 19.45 19.86 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 -2.39 -1.35 0.00 0.00 0.00 -1.03 -4.97 121.76 112.03 1lt6 s ALA 98 Ca -0.20 0.13 -0.00 0.00 0.00 0.00 0.00 51.96 51.89 1lt6 s ALA 98 Cb 0.06 0.86 -0.01 0.00 0.00 0.00 0.00 23.12 24.04 1lt6 s ALA 98 CO 0.53 -0.84 0.00 -1.50 0.00 0.00 0.00 175.76 173.95 1lt6 s ILE 99 N -3.82 0.04 0.01 0.00 2.07 -1.26 -1.57 121.20 116.66 1lt6 s ILE 99 Ca 0.05 -0.30 0.07 0.00 -1.41 0.00 0.00 60.65 59.06 1lt6 s ILE 99 Cb -0.02 -0.11 -0.02 0.00 0.13 0.00 0.00 42.46 42.44 1lt6 s ILE 99 CO -0.06 -0.16 -0.20 -0.55 -1.91 0.00 0.00 174.94 172.05 1lt6 s SER 100 N -0.48 2.40 0.01 4.50 0.15 0.42 -4.99 113.70 115.72 1lt6 s SER 100 Ca -0.05 -0.43 0.01 0.00 0.70 0.00 0.00 55.95 56.18 1lt6 s SER 100 Cb -0.03 -0.24 -0.01 0.00 -1.71 0.00 0.00 66.02 64.03 1lt6 s SER 100 CO -0.00 0.21 -0.05 -0.04 1.20 0.00 0.00 173.24 174.56 1lt6 s MET 101 N -0.78 0.35 -0.07 5.44 -1.94 -1.26 0.11 119.30 121.15 1lt6 s MET 101 Ca 0.08 -0.31 -0.01 0.00 -1.71 0.00 0.00 55.69 53.74 1lt6 s MET 101 Cb -0.08 -0.26 0.03 0.00 2.01 0.00 0.00 34.83 36.53 1lt6 s MET 101 CO 0.00 0.06 -0.02 0.15 -0.01 0.00 0.00 175.02 175.21 1lt6 s LYS 102 N -0.53 0.71 0.00 2.03 1.02 -1.25 -4.88 119.74 116.84 1lt6 s LYS 102 Ca -0.03 0.03 0.00 0.00 0.02 0.00 0.00 55.97 55.99 1lt6 s LYS 102 Cb -0.04 -0.96 0.00 0.00 -0.52 0.00 0.00 37.83 36.31 1lt6 s LYS 102 CO -0.00 -0.24 0.00 0.09 -0.92 0.00 0.00 175.35 174.28