#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 2.26 -0.01 0.00 0.02 -1.26 -4.96 135.00 131.05 1lt6 s PRO 2 Ca 0.00 1.60 0.16 0.00 0.02 0.00 0.00 61.00 62.78 1lt6 s PRO 2 Cb 0.00 -1.86 -0.20 0.00 0.02 0.00 0.00 34.50 32.46 1lt6 s PRO 2 CO 0.00 -1.71 0.57 1.04 -0.33 0.00 0.00 177.00 176.57 1lt6 n GLN 3 N -2.77 1.34 -4.06 5.54 1.13 -1.26 -4.98 117.38 112.30 1lt6 n GLN 3 Ca 0.12 -0.05 -0.08 0.00 -1.94 0.00 0.00 57.00 55.05 1lt6 n GLN 3 Cb 0.51 -1.30 -0.09 0.00 0.11 0.00 0.00 30.24 29.47 1lt6 n GLN 3 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 1lt6 s THR 4 N -2.71 0.18 0.36 5.09 -1.32 -1.26 -5.04 115.64 110.94 1lt6 s THR 4 Ca 0.02 -1.72 0.19 0.00 -1.21 0.00 0.00 61.69 58.96 1lt6 s THR 4 Cb 0.11 -1.60 0.18 0.00 -1.51 0.00 0.00 72.50 69.68 1lt6 s THR 4 CO 0.66 -0.83 1.92 -0.29 -2.21 0.00 0.00 174.62 173.87 1lt6 h ILE 5 N 3.02 0.95 -0.12 5.08 2.10 -1.96 -1.88 117.51 124.70 1lt6 h ILE 5 Ca -0.34 -0.96 -0.07 0.00 1.08 0.00 0.00 64.86 64.57 1lt6 h ILE 5 Cb 1.16 1.56 0.00 0.00 -1.09 0.00 0.00 36.82 38.45 1lt6 h ILE 5 CO 0.63 0.25 -0.21 0.74 -1.08 0.00 0.00 178.15 178.48 1lt6 h THR 6 N 0.00 1.38 -0.33 2.19 2.02 -1.98 -1.71 112.91 114.48 1lt6 h THR 6 Ca -0.00 -1.47 0.04 0.00 0.77 0.00 0.00 66.41 65.75 1lt6 h THR 6 Cb 0.54 2.06 -0.04 0.00 -1.74 0.00 0.00 68.15 68.96 1lt6 h THR 6 CO 0.03 0.43 0.10 -0.08 0.37 0.00 0.00 175.52 176.37 1lt6 h GLU 7 N -0.08 0.22 -0.28 6.66 4.81 -1.92 -0.73 114.58 123.27 1lt6 h GLU 7 Ca 0.01 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1lt6 h GLU 7 Cb 0.79 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 1lt6 h GLU 7 CO 0.05 0.15 0.11 1.25 -0.73 0.00 0.00 179.01 179.83 1lt6 h LEU 8 N 0.23 0.39 -0.94 1.64 6.46 -1.33 -2.86 115.31 118.91 1lt6 h LEU 8 Ca 0.15 -0.17 0.06 0.00 -0.12 0.00 0.00 57.88 57.79 1lt6 h LEU 8 Cb 0.13 -0.10 -0.06 0.00 -0.73 0.00 0.00 40.66 39.90 1lt6 h LEU 8 CO -0.17 0.46 0.60 0.00 -0.62 0.00 0.00 178.44 178.71 1lt6 h SER 10 N 1.10 0.00 0.27 0.00 4.64 -0.90 -0.97 113.55 117.70 1lt6 h SER 10 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1lt6 h SER 10 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1lt6 h SER 10 CO -0.17 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.17 1lt6 n GLU 11 N -2.60 0.53 -4.62 4.77 1.02 -0.72 -4.76 120.64 114.27 1lt6 n GLU 11 Ca -0.00 0.03 -0.30 0.00 -0.02 0.00 0.00 57.16 56.87 1lt6 n GLU 11 Cb 0.16 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 29.96 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 -2.34 2.51 0.53 -0.32 2.02 -0.37 -5.11 117.35 114.27 1lt6 s TYR 12 Ca 0.29 -0.28 -0.10 0.00 -0.37 0.00 0.00 57.07 56.61 1lt6 s TYR 12 Cb 0.17 -1.42 -0.05 0.00 -0.40 0.00 0.00 41.96 40.25 1lt6 s TYR 12 CO 0.34 0.26 0.92 1.03 -1.57 0.00 0.00 175.55 176.53 1lt6 s ARG 13 N -1.56 3.68 0.00 -0.62 1.81 -1.26 -4.02 118.95 116.97 1lt6 s ARG 13 Ca 0.15 0.60 0.00 0.00 -1.72 0.00 0.00 55.73 54.76 1lt6 s ARG 13 Cb -0.10 -2.21 0.00 0.00 -0.45 0.00 0.00 34.95 32.18 1lt6 s ARG 13 CO 0.06 -0.34 0.00 0.09 -0.68 0.00 0.00 175.30 174.43 1lt6 n ASN 14 N -2.19 -1.56 -4.86 0.23 3.02 -1.26 -4.96 115.26 103.68 1lt6 n ASN 14 Ca 0.04 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.38 1lt6 n ASN 14 Cb 0.54 -2.21 0.07 0.00 -0.61 0.00 0.00 39.78 37.57 1lt6 n ASN 14 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1lt6 s THR 15 N -1.53 2.39 -0.21 3.41 -4.23 -1.26 -1.06 115.64 113.16 1lt6 s THR 15 Ca 0.00 -0.71 -0.29 0.00 -1.18 0.00 0.00 61.69 59.51 1lt6 s THR 15 Cb 0.00 -2.68 0.15 0.00 1.34 0.00 0.00 72.50 71.30 1lt6 s THR 15 CO 0.00 0.00 1.12 -1.58 -0.54 0.00 0.00 174.62 173.62 1lt6 s GLN 16 N -4.88 0.41 -0.16 3.99 0.74 0.76 -4.80 119.66 115.73 1lt6 s GLN 16 Ca 0.62 0.14 -0.07 0.00 0.05 0.00 0.00 55.36 56.09 1lt6 s GLN 16 Cb -0.08 0.20 -0.04 0.00 1.10 0.00 0.00 33.01 34.19 1lt6 s GLN 16 CO 0.41 -0.12 0.09 0.42 -0.55 0.00 0.00 175.29 175.54 1lt6 s ILE 17 N -0.93 5.08 -0.15 -2.34 1.01 -1.26 0.06 121.20 122.68 1lt6 s ILE 17 Ca 0.02 0.06 0.01 0.00 0.00 0.00 0.00 60.65 60.74 1lt6 s ILE 17 Cb -0.01 -3.26 0.00 0.00 0.01 0.00 0.00 42.46 39.20 1lt6 s ILE 17 CO -0.02 0.52 -0.17 -0.31 0.00 0.00 0.00 174.94 174.95 1lt6 s TYR 18 N -0.18 2.74 -0.35 3.97 1.51 0.31 -4.95 117.35 120.41 1lt6 s TYR 18 Ca 0.09 -1.08 -0.19 0.00 -1.01 0.00 0.00 57.07 54.87 1lt6 s TYR 18 Cb -0.12 -1.86 -0.00 0.00 -0.11 0.00 0.00 41.96 39.87 1lt6 s TYR 18 CO 0.01 -0.48 0.58 0.99 -1.11 0.00 0.00 175.55 175.53 1lt6 s THR 19 N 0.75 4.95 -0.05 -0.71 2.01 -1.26 -0.03 115.64 121.30 1lt6 s THR 19 Ca -0.07 0.51 -0.02 0.00 0.31 0.00 0.00 61.69 62.41 1lt6 s THR 19 Cb -0.16 -4.02 -0.01 0.00 0.01 0.00 0.00 72.50 68.33 1lt6 s THR 19 CO 0.00 -0.25 -0.04 0.40 -0.69 0.00 0.00 174.62 174.04 1lt6 h ILE 20 N 5.63 0.00 -5.27 1.82 1.08 0.15 -3.48 117.51 117.44 1lt6 h ILE 20 Ca -0.27 -0.43 -0.34 0.00 -0.39 0.00 0.00 64.86 63.43 1lt6 h ILE 20 Cb 1.12 0.00 0.13 0.00 -3.07 0.00 0.00 36.82 35.00 1lt6 h ILE 20 CO 0.80 0.00 -0.61 -3.20 -0.69 0.00 0.00 178.15 174.45 1lt6 n ASN 21 N -3.24 -5.21 -3.69 1.72 4.05 0.17 -4.97 115.26 104.09 1lt6 n ASN 21 Ca -0.02 -0.49 -0.08 0.00 0.45 0.00 0.00 54.58 54.45 1lt6 n ASN 21 Cb 0.06 -4.52 -0.02 0.00 1.23 0.00 0.00 39.78 36.53 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 -3.44 -0.33 0.47 1.20 2.15 -0.87 -4.91 116.67 110.93 1lt6 s ASP 22 Ca 0.43 -0.35 -0.02 0.00 0.43 0.00 0.00 52.55 53.04 1lt6 s ASP 22 Cb -0.19 0.61 -0.01 0.00 -0.30 0.00 0.00 42.92 43.03 1lt6 s ASP 22 CO 0.64 -1.09 0.72 -1.59 -0.17 0.00 0.00 175.17 173.69 1lt6 s LYS 23 N -3.66 3.16 0.25 4.34 0.00 -1.26 -0.23 119.74 122.33 1lt6 s LYS 23 Ca 0.08 -0.27 -0.30 0.00 0.00 0.00 0.00 55.97 55.49 1lt6 s LYS 23 Cb -0.03 -2.48 -0.10 0.00 0.00 0.00 0.00 37.83 35.22 1lt6 s LYS 23 CO -0.01 -0.30 1.38 0.42 0.00 0.00 0.00 175.35 176.84 1lt6 s ILE 24 N -2.65 2.84 -0.18 3.79 1.01 -1.26 -4.70 121.20 120.05 1lt6 s ILE 24 Ca 0.48 0.72 -0.23 0.00 0.00 0.00 0.00 60.65 61.63 1lt6 s ILE 24 Cb -0.10 -3.46 -0.20 0.00 0.01 0.00 0.00 42.46 38.71 1lt6 s ILE 24 CO 0.40 0.12 0.38 0.25 0.00 0.00 0.00 174.94 176.09 1lt6 h LEU 25 N 4.87 0.00 -8.47 2.97 5.85 -0.84 -3.48 115.31 116.21 1lt6 h LEU 25 Ca -0.46 -0.63 -0.47 0.00 0.84 0.00 0.00 57.88 57.16 1lt6 h LEU 25 Cb 1.22 0.00 -0.23 0.00 0.37 0.00 0.00 40.66 42.02 1lt6 h LEU 25 CO 0.76 1.23 -0.80 -0.44 -0.34 0.00 0.00 178.44 178.84 1lt6 s SER 26 N -6.50 1.95 -0.04 1.25 0.01 -1.10 -4.97 113.70 104.30 1lt6 s SER 26 Ca -0.23 -0.59 0.03 0.00 1.31 0.00 0.00 55.95 56.47 1lt6 s SER 26 Cb 0.02 -0.10 0.01 0.00 0.21 0.00 0.00 66.02 66.16 1lt6 s SER 26 CO 0.58 0.00 -0.11 -0.47 0.41 0.00 0.00 173.24 173.65 1lt6 s TYR 27 N -1.10 1.25 -0.02 2.43 5.04 -1.26 -2.15 117.35 121.54 1lt6 s TYR 27 Ca 0.02 -0.38 0.03 0.00 -2.44 0.00 0.00 57.07 54.29 1lt6 s TYR 27 Cb -0.09 -0.90 -0.00 0.00 0.35 0.00 0.00 41.96 41.32 1lt6 s TYR 27 CO 0.02 -0.18 -0.09 0.99 -1.34 0.00 0.00 175.55 174.96 1lt6 s THR 28 N 0.38 0.74 -0.05 4.34 2.01 0.83 -4.98 115.64 118.91 1lt6 s THR 28 Ca -0.08 -0.37 0.01 0.00 0.31 0.00 0.00 61.69 61.57 1lt6 s THR 28 Cb -0.12 -0.64 0.02 0.00 0.01 0.00 0.00 72.50 71.77 1lt6 s THR 28 CO 0.02 0.22 -0.06 -0.70 -0.69 0.00 0.00 174.62 173.41 1lt6 s GLU 29 N 0.01 1.07 0.06 4.92 2.12 -1.26 -1.03 118.70 124.59 1lt6 s GLU 29 Ca 0.00 -0.18 0.09 0.00 0.36 0.00 0.00 54.97 55.24 1lt6 s GLU 29 Cb -0.06 -1.02 -0.03 0.00 0.26 0.00 0.00 34.13 33.28 1lt6 s GLU 29 CO 0.00 -0.07 -0.25 0.45 -0.54 0.00 0.00 175.26 174.84 1lt6 s SER 30 N 0.93 3.28 -0.10 -1.70 0.15 -0.54 -4.98 113.70 110.74 1lt6 s SER 30 Ca -0.11 -0.60 0.14 0.00 0.70 0.00 0.00 55.95 56.08 1lt6 s SER 30 Cb -0.15 -0.31 0.22 0.00 -1.71 0.00 0.00 66.02 64.07 1lt6 s SER 30 CO 0.00 0.24 1.10 1.15 1.20 0.00 0.00 173.24 176.94 1lt6 n MET 31 N 1.56 1.26 -2.39 5.44 0.00 -1.26 -3.04 117.12 118.69 1lt6 n MET 31 Ca -0.17 -2.22 -0.41 0.00 0.00 0.00 0.00 57.70 54.90 1lt6 n MET 31 Cb 0.52 -1.30 -0.04 0.00 0.00 0.00 0.00 33.22 32.41 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 -2.26 3.43 0.18 3.17 0.00 -1.26 -4.87 121.76 120.16 1lt6 s ALA 32 Ca 0.24 0.97 -0.32 0.00 0.00 0.00 0.00 51.96 52.84 1lt6 s ALA 32 Cb 0.21 -3.38 -0.15 0.00 0.00 0.00 0.00 23.12 19.79 1lt6 s ALA 32 CO 0.02 -0.31 1.17 0.41 0.00 0.00 0.00 175.76 177.05 1lt6 n GLY 33 N 1.58 0.09 3.73 0.00 0.00 -1.26 -1.15 105.19 108.19 1lt6 n GLY 33 Ca 0.01 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.56 1lt6 n GLY 33 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1lt6 n LYS 34 N 1.73 -0.27 -2.12 1.61 2.85 -1.26 -4.72 118.16 115.98 1lt6 n LYS 34 Ca 0.15 0.07 -0.09 0.00 -1.05 0.00 0.00 58.31 57.38 1lt6 n LYS 34 Cb 0.25 -4.35 0.05 0.00 -0.65 0.00 0.00 35.03 30.34 1lt6 n LYS 34 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1lt6 n ARG 35 N -1.61 2.36 -2.75 -1.58 5.12 -0.30 -4.94 116.66 112.96 1lt6 n ARG 35 Ca 0.00 -3.63 -0.42 0.00 -1.93 0.00 0.00 57.85 51.87 1lt6 n ARG 35 Cb 0.07 -1.75 -0.03 0.00 -1.16 0.00 0.00 32.46 29.59 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 -3.30 3.25 0.35 5.56 8.01 -1.08 -4.21 118.70 127.28 1lt6 s GLU 36 Ca 0.39 -0.83 -0.17 0.00 0.01 0.00 0.00 54.97 54.37 1lt6 s GLU 36 Cb 0.37 -4.43 0.05 0.00 -4.31 0.00 0.00 34.13 25.82 1lt6 s GLU 36 CO -0.02 -1.94 0.80 0.00 0.01 0.00 0.00 175.26 174.10 1lt6 s MET 37 N 4.43 2.08 0.08 1.61 0.23 -1.17 -4.35 119.30 122.21 1lt6 s MET 37 Ca 0.29 -1.30 0.06 0.00 -1.03 0.00 0.00 55.69 53.71 1lt6 s MET 37 Cb -0.11 0.60 -0.03 0.00 -1.53 0.00 0.00 34.83 33.76 1lt6 s MET 37 CO 0.07 -0.97 -0.16 0.14 -2.03 0.00 0.00 175.02 172.07 1lt6 s VAL 38 N -2.61 1.27 -0.01 5.16 -7.23 -1.25 -1.47 120.40 114.25 1lt6 s VAL 38 Ca 0.15 -1.37 0.04 0.00 -1.81 0.00 0.00 61.98 58.99 1lt6 s VAL 38 Cb -0.05 -1.20 -0.01 0.00 0.56 0.00 0.00 36.38 35.68 1lt6 s VAL 38 CO 0.10 -0.19 -0.12 -0.63 -0.31 0.00 0.00 175.10 173.95 1lt6 s ILE 39 N -1.25 0.99 0.02 -0.62 1.01 -0.20 -2.27 121.20 118.87 1lt6 s ILE 39 Ca 0.00 -0.52 0.03 0.00 0.00 0.00 0.00 60.65 60.16 1lt6 s ILE 39 Cb -0.10 -0.83 -0.01 0.00 0.01 0.00 0.00 42.46 41.52 1lt6 s ILE 39 CO 0.03 0.28 -0.09 0.27 0.00 0.00 0.00 174.94 175.43 1lt6 s ILE 40 N -0.19 0.73 0.18 2.92 -4.36 -0.59 -0.12 121.20 119.78 1lt6 s ILE 40 Ca 0.03 -0.69 0.06 0.00 -0.26 0.00 0.00 60.65 59.78 1lt6 s ILE 40 Cb -0.06 -0.67 -0.05 0.00 1.25 0.00 0.00 42.46 42.93 1lt6 s ILE 40 CO -0.00 -0.01 -0.11 0.42 0.24 0.00 0.00 174.94 175.48 1lt6 s THR 41 N -0.65 1.42 0.37 8.37 -4.23 -0.91 -0.53 115.64 119.47 1lt6 s THR 41 Ca -0.01 -2.13 0.07 0.00 -1.18 0.00 0.00 61.69 58.45 1lt6 s THR 41 Cb -0.06 -1.99 -0.07 0.00 1.34 0.00 0.00 72.50 71.72 1lt6 s THR 41 CO 0.00 -0.64 -0.02 -0.36 -0.54 0.00 0.00 174.62 173.07 1lt6 s PHE 42 N -3.17 2.38 0.38 3.99 0.08 -0.57 -0.11 117.98 120.96 1lt6 s PHE 42 Ca 0.20 -0.66 0.11 0.00 0.12 0.00 0.00 56.93 56.71 1lt6 s PHE 42 Cb 0.01 -1.57 0.90 0.00 -0.57 0.00 0.00 43.02 41.80 1lt6 s PHE 42 CO 0.04 0.43 1.88 -0.22 -0.10 0.00 0.00 175.22 177.24 1lt6 h LYS 43 N 1.91 0.58 0.00 0.44 3.64 -1.90 0.25 116.57 121.49 1lt6 h LYS 43 Ca -0.43 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1lt6 h LYS 43 Cb 1.24 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1lt6 h LYS 43 CO 0.76 0.38 0.00 0.66 -2.27 0.00 0.00 179.45 178.98 1lt6 h SER 44 N 0.59 0.00 0.00 4.20 4.64 -1.98 -3.45 113.55 117.55 1lt6 h SER 44 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 1lt6 h SER 44 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1lt6 h SER 44 CO -0.18 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.39 1lt6 n GLY 45 N -0.60 0.41 3.75 -0.77 0.00 0.89 -5.06 105.19 103.81 1lt6 n GLY 45 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.93 4.49 -0.07 1.61 0.41 -1.26 -4.78 118.70 118.16 1lt6 s GLU 46 Ca 0.00 1.97 0.04 0.00 -0.41 0.00 0.00 54.97 56.57 1lt6 s GLU 46 Cb 0.00 -3.17 0.00 0.00 -1.78 0.00 0.00 34.13 29.18 1lt6 s GLU 46 CO 0.00 -0.04 -0.20 0.99 -0.49 0.00 0.00 175.26 175.52 1lt6 s THR 47 N -0.65 1.71 0.21 3.63 2.01 -1.26 -1.52 115.64 119.77 1lt6 s THR 47 Ca 0.50 -0.84 0.08 0.00 0.31 0.00 0.00 61.69 61.74 1lt6 s THR 47 Cb -0.35 -1.49 -0.05 0.00 0.01 0.00 0.00 72.50 70.63 1lt6 s THR 47 CO 0.42 0.48 -0.15 -0.36 -0.69 0.00 0.00 174.62 174.33 1lt6 s PHE 48 N 0.30 1.76 0.09 4.92 0.40 0.31 -3.85 117.98 121.90 1lt6 s PHE 48 Ca -0.13 -0.55 0.01 0.00 -0.60 0.00 0.00 56.93 55.66 1lt6 s PHE 48 Cb -0.16 -0.81 -0.04 0.00 0.51 0.00 0.00 43.02 42.52 1lt6 s PHE 48 CO 0.06 0.39 -0.06 1.14 0.70 0.00 0.00 175.22 177.44 1lt6 s GLN 49 N -3.62 0.77 -0.21 0.44 -2.07 -0.59 -1.54 119.66 112.84 1lt6 s GLN 49 Ca 0.23 -1.27 -0.05 0.00 -1.82 0.00 0.00 55.36 52.45 1lt6 s GLN 49 Cb -0.01 -0.15 -0.02 0.00 -1.09 0.00 0.00 33.01 31.74 1lt6 s GLN 49 CO 0.07 -0.03 -0.01 0.08 -1.32 0.00 0.00 175.29 174.08 1lt6 s VAL 50 N -3.49 3.73 0.70 3.63 1.01 -0.96 -1.19 120.40 123.83 1lt6 s VAL 50 Ca 0.09 -0.38 -0.14 0.00 0.00 0.00 0.00 61.98 61.55 1lt6 s VAL 50 Cb 0.04 -2.69 0.02 0.00 0.00 0.00 0.00 36.38 33.75 1lt6 s VAL 50 CO -0.05 0.42 1.13 -1.61 0.00 0.00 0.00 175.10 174.99 1lt6 s GLU 51 N 1.23 2.52 0.25 2.72 2.02 -1.26 -3.81 118.70 122.37 1lt6 s GLU 51 Ca 0.03 1.45 -0.30 0.00 0.02 0.00 0.00 54.97 56.18 1lt6 s GLU 51 Cb -0.15 -1.91 -0.10 0.00 0.10 0.00 0.00 34.13 32.08 1lt6 s GLU 51 CO 0.00 -1.48 1.33 0.08 0.02 0.00 0.00 175.26 175.21 1lt6 s VAL 52 N -2.34 2.96 0.56 2.63 1.01 -1.26 -4.91 120.40 119.05 1lt6 s VAL 52 Ca 0.68 0.84 -0.21 0.00 0.00 0.00 0.00 61.98 63.29 1lt6 s VAL 52 Cb -0.22 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1lt6 s VAL 52 CO 0.45 0.15 1.36 -2.84 0.00 0.00 0.00 175.10 174.22 1lt6 s PRO 53 N -0.70 3.06 0.00 2.72 0.02 -1.26 -4.97 135.00 133.87 1lt6 s PRO 53 Ca 0.55 2.25 0.00 0.00 0.02 0.00 0.00 61.00 63.81 1lt6 s PRO 53 Cb -0.38 -2.22 0.00 0.00 0.02 0.00 0.00 34.50 31.92 1lt6 s PRO 53 CO 0.44 -1.26 0.00 0.41 -0.33 0.00 0.00 177.00 176.26 1lt6 n GLY 54 N 0.75 2.27 0.00 0.52 0.00 -1.26 -5.03 105.19 102.44 1lt6 n GLY 54 Ca 0.11 -0.76 0.15 0.00 0.00 0.00 0.00 46.02 45.52 1lt6 n GLY 54 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1lt6 n SER 55 N -0.14 0.00 -0.37 1.61 3.41 -1.26 -2.61 113.62 114.26 1lt6 n SER 55 Ca 0.00 -0.29 0.11 0.00 -0.26 0.00 0.00 58.87 58.43 1lt6 n SER 55 Cb 0.00 -0.24 0.48 0.00 -0.26 0.00 0.00 64.21 64.20 1lt6 n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1lt6 n GLN 56 N -1.23 1.49 -4.66 4.33 0.00 -1.26 -4.81 117.38 111.23 1lt6 n GLN 56 Ca 0.16 -0.73 -0.31 0.00 0.00 0.00 0.00 57.00 56.13 1lt6 n GLN 56 Cb 0.22 -1.39 -0.13 0.00 0.00 0.00 0.00 30.24 28.94 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 -1.89 2.57 0.49 2.61 3.76 -1.07 -5.14 115.29 116.61 1lt6 s HIS 57 Ca 0.33 -0.25 0.03 0.00 -0.15 0.00 0.00 55.06 55.02 1lt6 s HIS 57 Cb 0.17 -1.47 0.02 0.00 1.11 0.00 0.00 32.58 32.41 1lt6 s HIS 57 CO 0.27 0.25 0.69 0.96 -0.85 0.00 0.00 174.74 176.06 1lt6 s ILE 58 N -0.92 3.06 0.21 0.60 -4.36 -1.26 -4.92 121.20 113.61 1lt6 s ILE 58 Ca 0.15 -0.74 -0.14 0.00 -0.26 0.00 0.00 60.65 59.65 1lt6 s ILE 58 Cb -0.10 -3.11 0.23 0.00 1.25 0.00 0.00 42.46 40.72 1lt6 s ILE 58 CO 0.05 -0.07 1.62 0.44 0.24 0.00 0.00 174.94 177.22 1lt6 h ASP 59 N 0.32 -0.70 -0.25 4.36 5.19 -2.00 -2.67 116.42 120.66 1lt6 h ASP 59 Ca -0.42 0.20 0.05 0.00 -0.62 0.00 0.00 57.03 56.23 1lt6 h ASP 59 Cb 1.28 0.43 -0.01 0.00 0.18 0.00 0.00 39.33 41.21 1lt6 h ASP 59 CO 0.51 -0.23 0.18 0.77 -3.12 0.00 0.00 179.24 177.35 1lt6 h SER 60 N -0.03 0.11 0.89 6.45 4.64 -2.05 -2.19 113.55 121.38 1lt6 h SER 60 Ca 0.30 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1lt6 h SER 60 Cb 0.49 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1lt6 h SER 60 CO -0.67 0.08 0.00 1.56 -0.87 0.00 0.00 176.83 176.92 1lt6 h GLN 61 N 0.13 0.00 0.27 4.77 4.20 -1.87 -3.35 115.11 119.27 1lt6 h GLN 61 Ca 0.11 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 1lt6 h GLN 61 Cb 0.29 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 1lt6 h GLN 61 CO -0.02 0.00 -0.43 0.87 -0.67 0.00 0.00 178.83 178.58 1lt6 h LYS 62 N 0.00 -0.72 -0.78 1.46 6.56 -1.52 0.21 116.57 121.78 1lt6 h LYS 62 Ca 0.00 0.05 -0.03 0.00 -1.06 0.00 0.00 60.65 59.60 1lt6 h LYS 62 Cb 0.45 0.16 -0.04 0.00 -0.57 0.00 0.00 32.23 32.23 1lt6 h LYS 62 CO 0.00 -0.48 0.35 0.87 -2.06 0.00 0.00 179.45 178.14 1lt6 h LYS 63 N -0.75 1.14 -0.81 3.15 1.57 -1.79 -2.32 116.57 116.76 1lt6 h LYS 63 Ca -0.03 -0.18 0.11 0.00 -1.87 0.00 0.00 60.65 58.69 1lt6 h LYS 63 Cb 0.69 -0.20 -0.06 0.00 0.08 0.00 0.00 32.23 32.74 1lt6 h LYS 63 CO -0.14 0.89 0.53 0.00 -0.57 0.00 0.00 179.45 180.16 1lt6 h ALA 64 N 1.26 1.81 -0.34 3.86 0.00 -1.57 -1.62 119.26 122.66 1lt6 h ALA 64 Ca 0.27 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 1lt6 h ALA 64 Cb 0.15 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1lt6 h ALA 64 CO -0.03 0.00 0.05 0.82 0.00 0.00 0.00 179.25 180.09 1lt6 h ILE 65 N 0.69 1.24 -0.61 0.00 2.04 -0.01 -1.87 117.51 118.98 1lt6 h ILE 65 Ca 0.38 -0.85 -0.05 0.00 1.00 0.00 0.00 64.86 65.35 1lt6 h ILE 65 Cb 0.55 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 1lt6 h ILE 65 CO -0.15 0.28 0.19 -0.33 0.00 0.00 0.00 178.15 178.15 1lt6 h GLU 66 N 0.41 0.92 0.25 2.37 4.39 -1.29 -2.91 114.58 118.71 1lt6 h GLU 66 Ca 0.10 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 1lt6 h GLU 66 Cb 0.37 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1lt6 h GLU 66 CO 0.01 0.79 -0.12 -0.09 -1.16 0.00 0.00 179.01 178.44 1lt6 h ARG 67 N 0.89 -0.32 -1.00 2.33 2.43 -1.10 -2.61 114.38 115.01 1lt6 h ARG 67 Ca 0.20 0.02 0.21 0.00 -0.81 0.00 0.00 59.98 59.61 1lt6 h ARG 67 Cb 0.25 0.07 -0.10 0.00 -0.42 0.00 0.00 29.97 29.77 1lt6 h ARG 67 CO -0.01 -0.20 0.62 1.98 -1.51 0.00 0.00 179.97 180.85 1lt6 h MET 68 N -0.35 0.60 -0.05 0.20 4.05 -1.21 0.25 114.93 118.43 1lt6 h MET 68 Ca -0.03 -0.04 -0.13 0.00 -0.28 0.00 0.00 59.70 59.22 1lt6 h MET 68 Cb 0.27 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 30.92 1lt6 h MET 68 CO 0.06 0.40 -0.58 0.87 0.23 0.00 0.00 176.91 177.88 1lt6 h LYS 69 N 0.62 0.15 0.15 0.39 1.57 -1.33 -1.06 116.57 117.06 1lt6 h LYS 69 Ca 0.58 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 59.25 1lt6 h LYS 69 Cb 1.10 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.43 1lt6 h LYS 69 CO -0.35 0.68 -0.07 -0.44 -0.57 0.00 0.00 179.45 178.71 1lt6 h ASP 70 N 0.11 -0.17 -0.61 0.86 5.19 -0.19 -2.28 116.42 119.34 1lt6 h ASP 70 Ca -0.00 -0.27 0.09 0.00 -0.62 0.00 0.00 57.03 56.23 1lt6 h ASP 70 Cb 1.05 0.04 -0.07 0.00 0.18 0.00 0.00 39.33 40.53 1lt6 h ASP 70 CO 0.08 0.19 0.23 0.74 -3.12 0.00 0.00 179.24 177.37 1lt6 h THR 71 N -0.55 0.78 -0.46 0.35 2.02 -1.06 0.83 112.91 114.82 1lt6 h THR 71 Ca -0.02 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 1lt6 h THR 71 Cb 0.42 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 1lt6 h THR 71 CO 0.03 0.08 0.23 -0.07 0.37 0.00 0.00 175.52 176.16 1lt6 h LEU 72 N 0.42 0.59 -0.35 2.58 3.38 -1.10 0.39 115.31 121.23 1lt6 h LEU 72 Ca 0.30 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 1lt6 h LEU 72 Cb 0.37 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1lt6 h LEU 72 CO -0.30 0.54 0.04 -0.09 0.09 0.00 0.00 178.44 178.73 1lt6 h ARG 73 N 0.60 0.59 -0.01 1.13 2.43 -0.78 0.31 114.38 118.65 1lt6 h ARG 73 Ca 0.16 -0.16 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 1lt6 h ARG 73 Cb 0.10 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1lt6 h ARG 73 CO -0.02 0.67 -0.50 0.97 -1.51 0.00 0.00 179.97 179.58 1lt6 h ILE 74 N 0.42 1.36 -0.18 1.20 -0.00 -0.62 -0.65 117.51 119.04 1lt6 h ILE 74 Ca 0.10 -1.73 -0.09 0.00 -0.00 0.00 0.00 64.86 63.14 1lt6 h ILE 74 Cb 0.38 1.93 -0.00 0.00 -0.00 0.00 0.00 36.82 39.12 1lt6 h ILE 74 CO 0.01 0.50 -0.25 0.74 -0.00 0.00 0.00 178.15 179.15 1lt6 h THR 75 N 0.01 1.34 0.01 2.19 2.02 0.08 -2.50 112.91 116.07 1lt6 h THR 75 Ca -0.00 -1.46 0.02 0.00 0.77 0.00 0.00 66.41 65.74 1lt6 h THR 75 Cb 0.90 1.87 -0.03 0.00 -1.74 0.00 0.00 68.15 69.15 1lt6 h THR 75 CO 0.07 0.44 -0.13 0.22 0.37 0.00 0.00 175.52 176.49 1lt6 h TYR 76 N 0.12 -0.33 -0.96 3.16 3.20 -0.06 -1.89 116.97 120.21 1lt6 h TYR 76 Ca 0.02 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.95 1lt6 h TYR 76 Cb 0.82 0.15 -0.06 0.00 1.54 0.00 0.00 36.73 39.17 1lt6 h TYR 76 CO 0.09 -0.19 0.63 -0.07 -1.64 0.00 0.00 178.16 176.97 1lt6 h LEU 77 N -0.22 1.02 -0.98 2.82 -0.00 -1.12 -2.24 115.31 114.59 1lt6 h LEU 77 Ca 0.04 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.92 1lt6 h LEU 77 Cb 0.27 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 40.71 1lt6 h LEU 77 CO -0.12 0.68 0.00 0.35 -0.00 0.00 0.00 178.44 179.35 1lt6 n THR 78 N -4.47 0.13 -3.14 0.22 -2.24 -0.94 -4.91 114.28 98.93 1lt6 n THR 78 Ca 0.14 -0.29 -0.23 0.00 -2.27 0.00 0.00 64.05 61.40 1lt6 n THR 78 Cb 0.14 0.35 0.03 0.00 -2.10 0.00 0.00 70.33 68.75 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 0.18 -4.63 -2.50 -0.78 1.02 -0.77 -4.92 120.64 108.25 1lt6 n GLU 79 Ca 0.17 0.79 -0.41 0.00 -0.02 0.00 0.00 57.16 57.69 1lt6 n GLU 79 Cb 0.32 -5.62 -0.03 0.00 -0.02 0.00 0.00 31.44 26.08 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 -3.12 4.04 0.16 2.62 2.01 -0.84 -4.84 115.64 115.67 1lt6 s THR 80 Ca 0.34 1.60 -0.30 0.00 0.31 0.00 0.00 61.69 63.64 1lt6 s THR 80 Cb -0.16 -4.02 -0.08 0.00 0.01 0.00 0.00 72.50 68.25 1lt6 s THR 80 CO 0.42 0.20 1.20 -0.75 -0.69 0.00 0.00 174.62 175.01 1lt6 s LYS 81 N 0.33 4.48 -0.12 4.92 2.47 -1.26 -4.45 119.74 126.11 1lt6 s LYS 81 Ca 0.53 1.86 -0.06 0.00 -1.56 0.00 0.00 55.97 56.75 1lt6 s LYS 81 Cb -0.29 -3.26 -0.04 0.00 -1.46 0.00 0.00 37.83 32.79 1lt6 s LYS 81 CO 0.32 -0.13 0.11 0.42 0.16 0.00 0.00 175.35 176.23 1lt6 s ILE 82 N 0.17 5.23 -0.01 5.43 1.01 0.68 -4.47 121.20 129.23 1lt6 s ILE 82 Ca 0.54 0.10 -0.01 0.00 0.00 0.00 0.00 60.65 61.29 1lt6 s ILE 82 Cb -0.32 -3.27 -0.00 0.00 0.01 0.00 0.00 42.46 38.88 1lt6 s ILE 82 CO 0.35 0.60 -0.02 -0.67 0.00 0.00 0.00 174.94 175.21 1lt6 n ASP 83 N 2.12 0.18 -4.20 3.58 2.03 -0.25 0.45 116.55 120.46 1lt6 n ASP 83 Ca -0.19 0.25 -0.12 0.00 0.52 0.00 0.00 54.79 55.25 1lt6 n ASP 83 Cb 0.54 -0.54 -0.10 0.00 -0.72 0.00 0.00 41.12 40.31 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 -1.13 0.93 -0.05 -0.67 1.02 -1.18 0.17 119.74 118.83 1lt6 s LYS 84 Ca -0.02 -1.37 0.02 0.00 0.02 0.00 0.00 55.97 54.62 1lt6 s LYS 84 Cb 0.00 -0.41 0.01 0.00 -0.52 0.00 0.00 37.83 36.91 1lt6 s LYS 84 CO 0.02 0.03 -0.10 -0.51 -0.92 0.00 0.00 175.35 173.87 1lt6 s LEU 85 N -3.05 1.65 -0.29 3.17 1.43 0.95 -2.30 118.68 120.23 1lt6 s LEU 85 Ca 0.13 -0.24 -0.10 0.00 -1.03 0.00 0.00 54.13 52.89 1lt6 s LEU 85 Cb 0.03 -0.70 -0.03 0.00 0.03 0.00 0.00 46.19 45.53 1lt6 s LEU 85 CO -0.02 0.04 0.17 0.00 0.23 0.00 0.00 176.35 176.76 1lt6 s VAL 87 N 1.70 1.34 -0.28 0.00 -7.23 0.11 -1.21 120.40 114.83 1lt6 s VAL 87 Ca 0.06 -1.96 -0.20 0.00 -1.81 0.00 0.00 61.98 58.07 1lt6 s VAL 87 Cb -0.16 -1.77 -0.02 0.00 0.56 0.00 0.00 36.38 34.99 1lt6 s VAL 87 CO 0.09 -0.60 0.61 0.26 -0.31 0.00 0.00 175.10 175.15 1lt6 s TRP 88 N -2.82 3.25 -1.76 2.82 0.51 0.22 -0.17 118.94 120.99 1lt6 s TRP 88 Ca 0.15 0.69 0.11 0.00 -2.12 0.00 0.00 56.10 54.93 1lt6 s TRP 88 Cb -0.01 -2.88 0.36 0.00 -0.81 0.00 0.00 33.47 30.13 1lt6 s TRP 88 CO 0.03 -0.38 1.27 0.27 -0.51 0.00 0.00 176.95 177.63 1lt6 n ASN 89 N 5.75 2.35 -1.52 2.95 0.23 -0.22 -2.13 115.26 122.67 1lt6 n ASN 89 Ca -0.01 -2.08 0.07 0.00 -0.53 0.00 0.00 54.58 52.02 1lt6 n ASN 89 Cb 0.49 -0.32 0.32 0.00 -2.08 0.00 0.00 39.78 38.19 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 0.60 4.50 -4.25 0.53 6.94 -1.26 -4.89 115.26 117.44 1lt6 n ASN 90 Ca 0.13 -2.57 -0.14 0.00 -0.02 0.00 0.00 54.58 51.99 1lt6 n ASN 90 Cb 0.40 -0.59 -0.10 0.00 -2.36 0.00 0.00 39.78 37.13 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 -2.12 1.05 -0.13 -3.83 -0.14 -1.26 -5.09 119.74 108.21 1lt6 s LYS 91 Ca 0.44 -1.44 -0.01 0.00 -1.36 0.00 0.00 55.97 53.61 1lt6 s LYS 91 Cb 0.31 -0.61 0.03 0.00 -1.68 0.00 0.00 37.83 35.89 1lt6 s LYS 91 CO 0.17 0.07 -0.06 0.99 -0.76 0.00 0.00 175.35 175.77 1lt6 s THR 92 N -3.32 0.99 0.89 2.17 2.01 -1.26 -3.09 115.64 114.02 1lt6 s THR 92 Ca 0.16 -0.41 -0.11 0.00 0.31 0.00 0.00 61.69 61.65 1lt6 s THR 92 Cb 0.03 -1.10 0.13 0.00 0.01 0.00 0.00 72.50 71.56 1lt6 s THR 92 CO 0.00 0.24 1.11 -2.84 -0.69 0.00 0.00 174.62 172.44 1lt6 s PRO 93 N 1.70 1.29 0.42 4.92 0.02 -1.26 -5.06 135.00 137.03 1lt6 s PRO 93 Ca 0.03 1.23 -0.25 0.00 0.02 0.00 0.00 61.00 62.03 1lt6 s PRO 93 Cb -0.14 -1.78 -0.10 0.00 0.02 0.00 0.00 34.50 32.50 1lt6 s PRO 93 CO -0.08 -2.34 1.07 0.09 -0.33 0.00 0.00 177.00 175.41 1lt6 n ASN 94 N -4.00 1.54 -4.74 2.53 5.03 -1.18 -4.54 115.26 109.90 1lt6 n ASN 94 Ca 0.09 1.06 -0.36 0.00 0.87 0.00 0.00 54.58 56.23 1lt6 n ASN 94 Cb 0.53 -1.38 -0.07 0.00 -1.02 0.00 0.00 39.78 37.84 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 -0.69 6.42 0.13 6.41 0.15 -0.91 -1.54 113.70 123.67 1lt6 s SER 95 Ca 0.63 0.49 -0.30 0.00 0.70 0.00 0.00 55.95 57.47 1lt6 s SER 95 Cb -0.55 -2.17 -0.07 0.00 -1.71 0.00 0.00 66.02 61.52 1lt6 s SER 95 CO 0.57 0.13 1.21 -0.63 1.20 0.00 0.00 173.24 175.72 1lt6 s ILE 96 N 0.34 3.73 -0.05 6.45 1.01 -0.33 -0.61 121.20 131.74 1lt6 s ILE 96 Ca 0.16 1.35 0.00 0.00 0.00 0.00 0.00 60.65 62.16 1lt6 s ILE 96 Cb -0.13 -3.86 -0.03 0.00 0.01 0.00 0.00 42.46 38.45 1lt6 s ILE 96 CO 0.04 0.16 -0.04 0.00 0.00 0.00 0.00 174.94 175.10 1lt6 n ALA 97 N 3.21 1.91 -3.23 9.38 0.00 -0.35 -4.90 120.51 126.54 1lt6 n ALA 97 Ca 0.07 -0.19 -0.14 0.00 0.00 0.00 0.00 53.44 53.18 1lt6 n ALA 97 Cb 0.45 0.40 -0.07 0.00 0.00 0.00 0.00 19.45 20.23 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 -2.09 -1.08 0.08 0.00 0.00 -0.96 -5.00 121.76 112.71 1lt6 s ALA 98 Ca -0.06 0.45 0.03 0.00 0.00 0.00 0.00 51.96 52.38 1lt6 s ALA 98 Cb 0.02 0.26 -0.03 0.00 0.00 0.00 0.00 23.12 23.36 1lt6 s ALA 98 CO 0.10 -0.41 -0.10 -1.50 0.00 0.00 0.00 175.76 173.85 1lt6 s ILE 99 N -2.11 0.86 -0.03 0.00 2.07 -1.26 -1.40 121.20 119.33 1lt6 s ILE 99 Ca -0.08 -1.48 -0.02 0.00 -1.41 0.00 0.00 60.65 57.66 1lt6 s ILE 99 Cb -0.02 -1.17 0.02 0.00 0.13 0.00 0.00 42.46 41.42 1lt6 s ILE 99 CO 0.00 -0.49 0.07 -0.94 -1.91 0.00 0.00 174.94 171.68 1lt6 s SER 100 N -2.18 -0.05 -0.02 4.50 1.04 -0.97 -5.01 113.70 111.01 1lt6 s SER 100 Ca 0.01 0.14 0.06 0.00 0.48 0.00 0.00 55.95 56.64 1lt6 s SER 100 Cb -0.05 0.10 -0.01 0.00 0.10 0.00 0.00 66.02 66.15 1lt6 s SER 100 CO 0.00 -0.06 -0.19 -0.04 0.98 0.00 0.00 173.24 173.93 1lt6 s MET 101 N 0.43 1.59 -0.04 4.02 -1.94 -1.26 -1.09 119.30 121.00 1lt6 s MET 101 Ca -0.03 -0.68 0.03 0.00 -1.71 0.00 0.00 55.69 53.30 1lt6 s MET 101 Cb -0.05 -1.51 0.01 0.00 2.01 0.00 0.00 34.83 35.29 1lt6 s MET 101 CO -0.02 0.39 -0.10 0.21 -0.01 0.00 0.00 175.02 175.49 1lt6 s LYS 102 N -0.39 1.22 0.00 2.03 2.20 -1.26 -4.94 119.74 118.60 1lt6 s LYS 102 Ca 0.06 -0.35 0.17 0.00 -0.36 0.00 0.00 55.97 55.49 1lt6 s LYS 102 Cb -0.08 -1.09 1.03 0.00 -1.51 0.00 0.00 37.83 36.17 1lt6 s LYS 102 CO -0.00 0.09 1.43 -1.71 -0.36 0.00 0.00 175.35 174.79