#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b44 s PRO 2 N 0.00 2.51 0.00 0.00 0.04 -1.26 -4.93 135.00 131.36 1b44 s PRO 2 Ca 0.00 1.93 0.14 0.00 0.04 0.00 0.00 61.00 63.10 1b44 s PRO 2 Cb 0.00 -1.86 0.26 0.00 0.04 0.00 0.00 34.50 32.94 1b44 s PRO 2 CO 0.00 -1.59 1.15 1.04 0.04 0.00 0.00 177.00 177.64 1b44 n GLN 3 N -2.09 1.97 -3.75 4.56 6.02 -1.26 -4.98 117.38 117.85 1b44 n GLN 3 Ca 0.15 -1.81 -0.11 0.00 -0.01 0.00 0.00 57.00 55.22 1b44 n GLN 3 Cb 0.49 -1.31 -0.07 0.00 1.02 0.00 0.00 30.24 30.37 1b44 n GLN 3 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1b44 s SER 4 N -1.09 -0.10 0.19 1.08 0.15 -1.26 -5.03 113.70 107.65 1b44 s SER 4 Ca 0.24 -0.28 -0.05 0.00 0.70 0.00 0.00 55.95 56.55 1b44 s SER 4 Cb 0.14 0.37 0.11 0.00 -1.71 0.00 0.00 66.02 64.93 1b44 s SER 4 CO 0.19 -0.66 1.55 -0.29 1.20 0.00 0.00 173.24 175.23 1b44 h ILE 5 N 3.04 1.29 -0.40 6.45 2.10 -1.96 -0.53 117.51 127.49 1b44 h ILE 5 Ca -0.32 -1.54 0.00 0.00 1.08 0.00 0.00 64.86 64.08 1b44 h ILE 5 Cb 1.21 1.44 -0.02 0.00 -1.09 0.00 0.00 36.82 38.36 1b44 h ILE 5 CO 0.48 0.50 0.26 0.74 -1.08 0.00 0.00 178.15 179.05 1b44 h THR 6 N 0.61 1.10 -0.61 2.19 2.02 -1.99 0.15 112.91 116.39 1b44 h THR 6 Ca 0.06 -0.19 -0.08 0.00 0.77 0.00 0.00 66.41 66.96 1b44 h THR 6 Cb 0.91 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 1b44 h THR 6 CO 0.08 0.10 0.06 -0.08 0.37 0.00 0.00 175.52 176.06 1b44 h GLU 7 N 0.54 1.02 -0.46 6.66 4.81 -1.92 -2.57 114.58 122.66 1b44 h GLU 7 Ca 0.15 -0.28 -0.13 0.00 -0.13 0.00 0.00 59.36 58.96 1b44 h GLU 7 Cb -0.06 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 1b44 h GLU 7 CO -0.03 0.96 -0.22 1.25 -0.73 0.00 0.00 179.01 180.24 1b44 h LEU 8 N 0.95 0.97 -1.77 1.64 6.46 -0.63 -2.75 115.31 120.18 1b44 h LEU 8 Ca 0.18 -0.37 -0.03 0.00 -0.12 0.00 0.00 57.88 57.54 1b44 h LEU 8 Cb 0.46 -0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 40.12 1b44 h LEU 8 CO 0.02 1.15 -0.16 0.00 -0.62 0.00 0.00 178.44 178.83 1b44 h SER 10 N 0.00 0.00 -0.04 0.00 0.02 -1.15 -2.99 113.55 109.39 1b44 h SER 10 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1b44 h SER 10 Cb 0.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1b44 h SER 10 CO 0.02 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 175.09 1b44 n GLU 11 N -2.94 1.31 -4.28 3.45 1.02 -0.66 -4.89 120.64 113.65 1b44 n GLU 11 Ca 0.01 -0.45 -0.20 0.00 -0.02 0.00 0.00 57.16 56.49 1b44 n GLU 11 Cb 0.28 -1.42 -0.11 0.00 -0.02 0.00 0.00 31.44 30.16 1b44 n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1b44 s TYR 12 N -1.96 1.60 0.10 -0.32 1.51 -1.13 -5.13 117.35 112.01 1b44 s TYR 12 Ca 0.38 -0.51 -0.16 0.00 -1.01 0.00 0.00 57.07 55.77 1b44 s TYR 12 Cb 0.19 -0.82 -0.07 0.00 -0.11 0.00 0.00 41.96 41.15 1b44 s TYR 12 CO 0.30 0.22 0.54 -1.01 -1.11 0.00 0.00 175.55 174.49 1b44 s HIS 13 N -1.99 3.69 -0.13 2.71 3.76 -1.26 -4.04 115.29 118.03 1b44 s HIS 13 Ca 0.11 1.13 0.00 0.00 -0.15 0.00 0.00 55.06 56.15 1b44 s HIS 13 Cb -0.06 -2.41 0.00 0.00 1.11 0.00 0.00 32.58 31.22 1b44 s HIS 13 CO 0.04 0.51 0.00 0.09 -0.85 0.00 0.00 174.74 174.53 1b44 n ASN 14 N 1.24 -3.86 -4.99 1.40 4.13 -1.26 -5.02 115.26 106.90 1b44 n ASN 14 Ca -0.08 0.03 -0.19 0.00 1.68 0.00 0.00 54.58 56.02 1b44 n ASN 14 Cb 0.51 -1.47 0.01 0.00 -1.54 0.00 0.00 39.78 37.29 1b44 n ASN 14 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1b44 s THR 15 N -1.81 3.34 -0.25 3.41 -4.23 -1.26 -1.23 115.64 113.62 1b44 s THR 15 Ca 0.00 -0.90 -0.26 0.00 -1.18 0.00 0.00 61.69 59.35 1b44 s THR 15 Cb 0.00 -3.16 0.12 0.00 1.34 0.00 0.00 72.50 70.80 1b44 s THR 15 CO 0.00 -0.07 0.98 -1.58 -0.54 0.00 0.00 174.62 173.40 1b44 s GLN 16 N -4.38 0.58 -0.08 3.99 0.74 0.57 -4.82 119.66 116.26 1b44 s GLN 16 Ca 0.52 0.54 -0.19 0.00 0.05 0.00 0.00 55.36 56.28 1b44 s GLN 16 Cb -0.10 0.28 -0.05 0.00 1.10 0.00 0.00 33.01 34.25 1b44 s GLN 16 CO 0.34 -0.10 0.52 0.42 -0.55 0.00 0.00 175.29 175.92 1b44 s ILE 17 N -0.06 5.10 -0.22 -2.34 -1.09 -1.26 -1.45 121.20 119.88 1b44 s ILE 17 Ca 0.01 1.05 0.01 0.00 -2.23 0.00 0.00 60.65 59.50 1b44 s ILE 17 Cb -0.04 -3.85 0.05 0.00 -1.58 0.00 0.00 42.46 37.04 1b44 s ILE 17 CO -0.03 0.36 -0.11 -0.31 -1.23 0.00 0.00 174.94 173.62 1b44 s TYR 18 N 0.30 2.70 -0.58 3.97 2.02 -0.48 -4.96 117.35 120.32 1b44 s TYR 18 Ca 0.28 -1.83 -0.28 0.00 -0.37 0.00 0.00 57.07 54.87 1b44 s TYR 18 Cb -0.16 -1.74 0.02 0.00 -0.40 0.00 0.00 41.96 39.67 1b44 s TYR 18 CO 0.13 -0.79 1.36 0.99 -1.57 0.00 0.00 175.55 175.66 1b44 s THR 19 N 1.30 3.83 -0.12 -0.71 2.01 -1.26 -1.63 115.64 119.07 1b44 s THR 19 Ca -0.03 0.70 -0.20 0.00 0.31 0.00 0.00 61.69 62.47 1b44 s THR 19 Cb -0.17 -4.54 -0.17 0.00 0.01 0.00 0.00 72.50 67.62 1b44 s THR 19 CO -0.07 -1.27 0.58 0.40 -0.69 0.00 0.00 174.62 173.56 1b44 h ILE 20 N 6.30 1.18 -6.76 1.82 1.08 -0.61 -3.49 117.51 117.04 1b44 h ILE 20 Ca -0.26 -1.81 -0.55 0.00 -0.39 0.00 0.00 64.86 61.84 1b44 h ILE 20 Cb 1.08 2.21 -0.15 0.00 -3.07 0.00 0.00 36.82 36.88 1b44 h ILE 20 CO 1.19 0.39 -0.90 -3.20 -0.69 0.00 0.00 178.15 174.94 1b44 n ASN 21 N -4.70 -0.74 -3.45 1.72 5.15 0.23 -4.94 115.26 108.53 1b44 n ASN 21 Ca -0.07 -1.10 -0.11 0.00 -0.60 0.00 0.00 54.58 52.70 1b44 n ASN 21 Cb 0.32 -2.49 -0.02 0.00 -0.53 0.00 0.00 39.78 37.06 1b44 n ASN 21 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1b44 s ASP 22 N -4.06 -0.53 0.57 1.20 2.15 -0.76 -4.93 116.67 110.31 1b44 s ASP 22 Ca 0.23 -0.04 -0.11 0.00 0.43 0.00 0.00 52.55 53.06 1b44 s ASP 22 Cb -0.13 0.59 -0.05 0.00 -0.30 0.00 0.00 42.92 43.03 1b44 s ASP 22 CO 0.94 -0.96 0.98 -1.59 -0.17 0.00 0.00 175.17 174.36 1b44 s LYS 23 N -3.70 3.68 0.25 4.34 -2.85 -1.26 -1.31 119.74 118.88 1b44 s LYS 23 Ca 0.02 0.71 -0.30 0.00 -1.00 0.00 0.00 55.97 55.40 1b44 s LYS 23 Cb -0.01 -2.15 -0.09 0.00 -2.06 0.00 0.00 37.83 33.52 1b44 s LYS 23 CO -0.11 -0.43 1.25 0.42 0.10 0.00 0.00 175.35 176.57 1b44 s ILE 24 N -2.96 3.19 -0.17 3.79 1.01 -1.26 -4.74 121.20 120.05 1b44 s ILE 24 Ca 0.55 1.08 -0.24 0.00 0.00 0.00 0.00 60.65 62.04 1b44 s ILE 24 Cb -0.11 -3.69 -0.23 0.00 0.01 0.00 0.00 42.46 38.45 1b44 s ILE 24 CO 0.47 0.21 0.48 0.25 0.00 0.00 0.00 174.94 176.34 1b44 h LEU 25 N 4.48 0.05 -7.72 2.97 5.85 -0.88 -3.48 115.31 116.58 1b44 h LEU 25 Ca -0.46 -0.74 -0.26 0.00 0.84 0.00 0.00 57.88 57.25 1b44 h LEU 25 Cb 1.22 -0.02 -0.29 0.00 0.37 0.00 0.00 40.66 41.94 1b44 h LEU 25 CO 0.71 1.32 -0.73 -0.94 -0.34 0.00 0.00 178.44 178.46 1b44 s SER 26 N -6.64 0.13 -0.23 1.25 1.04 -0.95 -4.97 113.70 103.34 1b44 s SER 26 Ca -0.24 -0.01 -0.05 0.00 0.48 0.00 0.00 55.95 56.14 1b44 s SER 26 Cb 0.02 -0.04 -0.01 0.00 0.10 0.00 0.00 66.02 66.09 1b44 s SER 26 CO 0.65 -0.02 -0.01 -0.47 0.98 0.00 0.00 173.24 174.37 1b44 s TYR 27 N 0.22 2.99 -0.13 5.02 5.04 -1.26 -2.27 117.35 126.96 1b44 s TYR 27 Ca -0.02 -0.84 0.03 0.00 -2.44 0.00 0.00 57.07 53.80 1b44 s TYR 27 Cb -0.03 -2.14 0.01 0.00 0.35 0.00 0.00 41.96 40.15 1b44 s TYR 27 CO -0.01 -0.51 -0.22 0.99 -1.34 0.00 0.00 175.55 174.46 1b44 s THR 28 N 1.51 2.09 -0.05 4.34 2.01 -0.19 -4.99 115.64 120.35 1b44 s THR 28 Ca 0.06 -0.98 0.02 0.00 0.31 0.00 0.00 61.69 61.10 1b44 s THR 28 Cb -0.15 -1.83 0.02 0.00 0.01 0.00 0.00 72.50 70.55 1b44 s THR 28 CO -0.02 0.55 -0.08 -0.70 -0.69 0.00 0.00 174.62 173.68 1b44 s GLU 29 N 0.71 1.24 -0.02 4.92 2.12 -1.26 -0.57 118.70 125.83 1b44 s GLU 29 Ca -0.10 -0.27 0.06 0.00 0.36 0.00 0.00 54.97 55.03 1b44 s GLU 29 Cb -0.16 -1.10 -0.02 0.00 0.26 0.00 0.00 34.13 33.12 1b44 s GLU 29 CO 0.01 -0.01 -0.20 0.45 -0.54 0.00 0.00 175.26 174.97 1b44 s SER 30 N 0.71 2.34 0.00 -1.70 0.15 -0.63 -4.98 113.70 109.59 1b44 s SER 30 Ca -0.12 -0.36 0.04 0.00 0.70 0.00 0.00 55.95 56.21 1b44 s SER 30 Cb -0.14 -0.27 0.09 0.00 -1.71 0.00 0.00 66.02 63.98 1b44 s SER 30 CO 0.02 0.24 0.93 1.15 1.20 0.00 0.00 173.24 176.79 1b44 n MET 31 N 2.60 1.72 -1.82 5.44 0.00 -1.26 -3.01 117.12 120.80 1b44 n MET 31 Ca -0.15 -1.37 -0.40 0.00 0.00 0.00 0.00 57.70 55.77 1b44 n MET 31 Cb 0.53 -1.10 0.01 0.00 0.00 0.00 0.00 33.22 32.66 1b44 n MET 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1b44 s ALA 32 N -0.77 3.39 0.09 3.17 0.00 -1.26 -4.83 121.76 121.55 1b44 s ALA 32 Ca 0.08 1.50 -0.36 0.00 0.00 0.00 0.00 51.96 53.17 1b44 s ALA 32 Cb 0.04 -3.59 -0.16 0.00 0.00 0.00 0.00 23.12 19.41 1b44 s ALA 32 CO 0.06 -1.10 1.39 0.41 0.00 0.00 0.00 175.76 176.52 1b44 n GLY 33 N 0.54 0.60 3.31 0.00 0.00 -1.26 -1.25 105.19 107.13 1b44 n GLY 33 Ca 0.03 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.75 1b44 n GLY 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1b44 n LYS 34 N 2.77 -0.86 -2.63 1.61 3.00 -1.26 -4.76 118.16 116.03 1b44 n LYS 34 Ca 0.18 0.21 -0.11 0.00 -0.00 0.00 0.00 58.31 58.59 1b44 n LYS 34 Cb 0.21 -4.42 0.03 0.00 0.00 0.00 0.00 35.03 30.84 1b44 n LYS 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1b44 n ARG 35 N -0.80 1.67 -2.72 1.64 5.12 -0.38 -4.99 116.66 116.19 1b44 n ARG 35 Ca 0.00 -3.52 -0.43 0.00 -1.93 0.00 0.00 57.85 51.97 1b44 n ARG 35 Cb 0.21 -1.48 -0.01 0.00 -1.16 0.00 0.00 32.46 30.03 1b44 n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1b44 s GLU 36 N -3.28 3.95 0.22 5.56 8.01 -1.18 -4.17 118.70 127.81 1b44 s GLU 36 Ca 0.31 -2.07 0.01 0.00 0.01 0.00 0.00 54.97 53.24 1b44 s GLU 36 Cb 0.43 -5.33 -0.00 0.00 -4.31 0.00 0.00 34.13 24.92 1b44 s GLU 36 CO -0.01 -2.06 0.26 0.00 0.01 0.00 0.00 175.26 173.46 1b44 n MET 37 N 7.46 0.38 -4.08 1.61 0.00 -1.16 -4.33 117.12 116.99 1b44 n MET 37 Ca 0.42 -1.97 -0.15 0.00 0.00 0.00 0.00 57.70 55.99 1b44 n MET 37 Cb 0.46 1.77 -0.15 0.00 0.00 0.00 0.00 33.22 35.30 1b44 n MET 37 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1b44 s VAL 38 N -2.76 0.31 -0.12 3.17 1.01 -1.25 -1.61 120.40 119.16 1b44 s VAL 38 Ca 0.22 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1b44 s VAL 38 Cb 0.00 -0.28 0.02 0.00 0.00 0.00 0.00 36.38 36.13 1b44 s VAL 38 CO 0.16 0.10 -0.11 -0.63 0.00 0.00 0.00 175.10 174.61 1b44 s ILE 39 N 0.03 1.24 -0.01 2.22 1.01 0.26 -1.60 121.20 124.34 1b44 s ILE 39 Ca 0.00 -0.45 0.06 0.00 0.00 0.00 0.00 60.65 60.27 1b44 s ILE 39 Cb -0.03 -1.20 -0.03 0.00 0.01 0.00 0.00 42.46 41.22 1b44 s ILE 39 CO -0.00 0.40 -0.20 0.27 0.00 0.00 0.00 174.94 175.41 1b44 s ILE 40 N 1.44 2.62 0.15 2.92 -4.36 -0.14 -1.02 121.20 122.80 1b44 s ILE 40 Ca 0.01 -0.99 0.05 0.00 -0.26 0.00 0.00 60.65 59.46 1b44 s ILE 40 Cb -0.13 -2.01 -0.04 0.00 1.25 0.00 0.00 42.46 41.53 1b44 s ILE 40 CO -0.07 0.52 -0.11 0.42 0.24 0.00 0.00 174.94 175.94 1b44 s THR 41 N -0.74 1.25 0.29 8.37 -4.23 -0.96 -0.70 115.64 118.92 1b44 s THR 41 Ca 0.12 -2.04 0.07 0.00 -1.18 0.00 0.00 61.69 58.66 1b44 s THR 41 Cb -0.10 -1.83 -0.06 0.00 1.34 0.00 0.00 72.50 71.85 1b44 s THR 41 CO 0.01 -0.69 -0.07 -0.36 -0.54 0.00 0.00 174.62 172.97 1b44 s PHE 42 N -3.15 2.06 0.64 3.99 0.40 -0.73 -0.15 117.98 121.04 1b44 s PHE 42 Ca 0.16 -0.65 0.38 0.00 -0.60 0.00 0.00 56.93 56.22 1b44 s PHE 42 Cb 0.01 -1.17 2.12 0.00 0.51 0.00 0.00 43.02 44.50 1b44 s PHE 42 CO 0.02 0.36 2.28 0.87 0.70 0.00 0.00 175.22 179.44 1b44 h LYS 43 N 2.22 0.00 0.00 0.44 1.57 -1.90 -0.99 116.57 117.91 1b44 h LYS 43 Ca -0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1b44 h LYS 43 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1b44 h LYS 43 CO 0.68 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 180.22 1b44 h SER 44 N 0.00 0.00 0.00 0.86 4.64 -1.98 -3.46 113.55 113.62 1b44 h SER 44 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1b44 h SER 44 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1b44 h SER 44 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1b44 n GLY 45 N -0.18 3.01 3.71 -0.77 0.00 -0.38 -5.06 105.19 105.51 1b44 n GLY 45 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 1b44 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b44 n ALA 46 N -1.49 2.12 -2.86 4.61 0.00 -1.26 -4.78 120.51 116.86 1b44 n ALA 46 Ca 0.00 0.40 -0.27 0.00 0.00 0.00 0.00 53.44 53.57 1b44 n ALA 46 Cb 0.00 -2.42 -0.16 0.00 0.00 0.00 0.00 19.45 16.87 1b44 n ALA 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1b44 s THR 47 N 0.52 1.55 0.17 0.00 2.01 -1.26 -1.77 115.64 116.87 1b44 s THR 47 Ca 0.71 -0.79 0.01 0.00 0.31 0.00 0.00 61.69 61.94 1b44 s THR 47 Cb -0.57 -1.33 -0.05 0.00 0.01 0.00 0.00 72.50 70.57 1b44 s THR 47 CO 0.42 0.44 0.01 -0.36 -0.69 0.00 0.00 174.62 174.44 1b44 s PHE 48 N -0.02 1.17 0.12 4.92 0.08 0.12 -3.80 117.98 120.58 1b44 s PHE 48 Ca -0.03 -1.05 -0.05 0.00 0.12 0.00 0.00 56.93 55.92 1b44 s PHE 48 Cb -0.12 -0.67 -0.02 0.00 -0.57 0.00 0.00 43.02 41.64 1b44 s PHE 48 CO 0.02 -0.26 0.13 1.14 -0.10 0.00 0.00 175.22 176.16 1b44 s GLN 49 N -3.94 0.93 -0.61 0.44 -2.07 -0.75 -0.97 119.66 112.70 1b44 s GLN 49 Ca 0.24 -1.24 0.04 0.00 -1.82 0.00 0.00 55.36 52.58 1b44 s GLN 49 Cb 0.06 0.30 0.15 0.00 -1.09 0.00 0.00 33.01 32.43 1b44 s GLN 49 CO 0.04 -0.29 0.38 0.08 -1.32 0.00 0.00 175.29 174.18 1b44 s VAL 50 N -3.97 2.70 0.75 3.63 1.01 -0.63 -0.69 120.40 123.20 1b44 s VAL 50 Ca 0.16 -3.80 -0.17 0.00 0.00 0.00 0.00 61.98 58.17 1b44 s VAL 50 Cb 0.06 -2.82 -0.12 0.00 0.00 0.00 0.00 36.38 33.50 1b44 s VAL 50 CO -0.03 -0.91 -0.22 -1.84 0.00 0.00 0.00 175.10 172.10 1b44 n GLU 51 N 2.53 0.05 -1.96 2.72 0.28 -1.26 -3.75 120.64 119.24 1b44 n GLU 51 Ca 0.13 0.03 -0.42 0.00 -0.16 0.00 0.00 57.16 56.74 1b44 n GLU 51 Cb 0.34 -1.21 -0.03 0.00 1.43 0.00 0.00 31.44 31.97 1b44 n GLU 51 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1b44 s VAL 52 N -2.00 2.66 -0.23 3.84 1.01 -1.26 -4.91 120.40 119.51 1b44 s VAL 52 Ca 0.52 0.49 -0.29 0.00 0.00 0.00 0.00 61.98 62.70 1b44 s VAL 52 Cb -0.34 -3.31 -0.06 0.00 0.00 0.00 0.00 36.38 32.67 1b44 s VAL 52 CO 0.71 0.04 2.22 -2.65 0.00 0.00 0.00 175.10 175.42 1b44 n PRO 53 N 3.72 1.85 0.00 2.72 -0.02 -1.26 -4.91 135.00 137.10 1b44 n PRO 53 Ca 0.13 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1b44 n PRO 53 Cb 0.39 -3.12 0.00 0.00 -0.02 0.00 0.00 33.50 30.75 1b44 n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b44 n GLY 54 N 5.86 5.98 0.27 -1.23 0.00 -1.26 -5.04 105.19 109.78 1b44 n GLY 54 Ca 0.31 -1.59 0.15 0.00 0.00 0.00 0.00 46.02 44.89 1b44 n GLY 54 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1b44 h SER 55 N 0.00 0.00 0.58 1.61 0.02 -2.03 -2.96 113.55 110.77 1b44 h SER 55 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1b44 h SER 55 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 1b44 h SER 55 CO 0.00 0.09 -0.04 0.06 -1.14 0.00 0.00 176.83 175.79 1b44 h GLN 56 N 0.00 0.00 -6.31 3.45 -0.00 -1.96 -3.44 115.11 106.85 1b44 h GLN 56 Ca -0.00 0.00 -0.47 0.00 -0.00 0.00 0.00 58.65 58.18 1b44 h GLN 56 Cb 0.38 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.85 1b44 h GLN 56 CO 0.01 0.04 -0.34 -1.01 -0.00 0.00 0.00 178.83 177.54 1b44 s HIS 57 N -3.92 3.47 0.25 0.06 3.76 -1.12 -5.12 115.29 112.67 1b44 s HIS 57 Ca -0.02 0.13 0.06 0.00 -0.15 0.00 0.00 55.06 55.09 1b44 s HIS 57 Cb 0.11 -1.70 -0.03 0.00 1.11 0.00 0.00 32.58 32.07 1b44 s HIS 57 CO 0.52 0.32 0.30 0.96 -0.85 0.00 0.00 174.74 175.99 1b44 s ILE 58 N -2.10 4.81 0.19 0.60 -4.36 -1.26 -4.95 121.20 114.14 1b44 s ILE 58 Ca 0.36 -1.17 -0.23 0.00 -0.26 0.00 0.00 60.65 59.35 1b44 s ILE 58 Cb -0.09 -3.63 0.10 0.00 1.25 0.00 0.00 42.46 40.08 1b44 s ILE 58 CO 0.32 -0.32 1.50 -0.67 0.24 0.00 0.00 174.94 176.00 1b44 n ASP 59 N -1.32 -0.81 -3.01 4.36 2.03 -1.26 -1.42 116.55 115.11 1b44 n ASP 59 Ca -0.08 1.70 -0.34 0.00 0.52 0.00 0.00 54.79 56.60 1b44 n ASP 59 Cb 0.58 -0.31 -0.03 0.00 -0.72 0.00 0.00 41.12 40.63 1b44 n ASP 59 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1b44 n SER 60 N -5.33 7.30 0.00 1.67 2.88 -1.26 -3.12 113.62 115.76 1b44 n SER 60 Ca 0.06 -3.15 0.00 0.00 -1.33 0.00 0.00 58.87 54.45 1b44 n SER 60 Cb 0.33 -1.31 0.00 0.00 -0.75 0.00 0.00 64.21 62.48 1b44 n SER 60 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1b44 n GLN 61 N 1.38 3.73 -0.21 -1.46 7.27 -0.51 -4.87 117.38 122.70 1b44 n GLN 61 Ca 0.56 0.00 0.02 0.00 0.07 0.00 0.00 57.00 57.65 1b44 n GLN 61 Cb 0.40 -0.31 0.13 0.00 2.41 0.00 0.00 30.24 32.86 1b44 n GLN 61 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 1b44 h LYS 62 N 0.00 0.28 -0.04 3.69 1.57 -1.62 -1.63 116.57 118.82 1b44 h LYS 62 Ca 0.00 -0.02 -0.21 0.00 -1.87 0.00 0.00 60.65 58.56 1b44 h LYS 62 Cb 0.00 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 1b44 h LYS 62 CO 0.00 0.19 -0.84 0.87 -0.57 0.00 0.00 179.45 179.10 1b44 h LYS 63 N 0.29 0.43 -0.02 3.15 1.57 -1.90 -3.13 116.57 116.96 1b44 h LYS 63 Ca 0.34 -0.41 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1b44 h LYS 63 Cb 0.52 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 1b44 h LYS 63 CO -0.41 1.06 0.02 0.00 -0.57 0.00 0.00 179.45 179.54 1b44 h ALA 64 N 0.81 2.02 0.04 3.86 0.00 -1.70 0.14 119.26 124.43 1b44 h ALA 64 Ca -0.06 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1b44 h ALA 64 Cb 1.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1b44 h ALA 64 CO 0.15 -0.03 -0.02 0.82 0.00 0.00 0.00 179.25 180.17 1b44 h ILE 65 N 0.00 1.30 -0.88 0.00 2.04 -1.27 -1.57 117.51 117.13 1b44 h ILE 65 Ca 0.01 -1.15 0.00 0.00 1.00 0.00 0.00 64.86 64.73 1b44 h ILE 65 Cb 0.04 2.05 -0.04 0.00 -0.74 0.00 0.00 36.82 38.13 1b44 h ILE 65 CO -0.00 0.29 0.56 -0.33 0.00 0.00 0.00 178.15 178.66 1b44 h GLU 66 N -0.56 1.17 -0.38 2.37 4.39 -1.34 -1.54 114.58 118.69 1b44 h GLU 66 Ca -0.01 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 1b44 h GLU 66 Cb 0.51 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 1b44 h GLU 66 CO 0.01 0.79 0.18 -0.09 -1.16 0.00 0.00 179.01 178.74 1b44 h ARG 67 N 1.20 0.54 -0.28 2.33 2.43 -0.72 -0.75 114.38 119.12 1b44 h ARG 67 Ca 0.32 -0.08 0.03 0.00 -0.81 0.00 0.00 59.98 59.44 1b44 h ARG 67 Cb -0.10 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.32 1b44 h ARG 67 CO -0.06 0.48 0.11 1.98 -1.51 0.00 0.00 179.97 180.97 1b44 h MET 68 N 0.47 0.25 -0.26 0.20 4.05 -0.56 0.95 114.93 120.03 1b44 h MET 68 Ca 0.13 -0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.50 1b44 h MET 68 Cb 0.11 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.84 1b44 h MET 68 CO -0.02 0.16 0.02 0.87 0.23 0.00 0.00 176.91 178.17 1b44 h LYS 69 N 0.25 0.39 -0.08 0.39 1.57 -1.05 0.43 116.57 118.47 1b44 h LYS 69 Ca 0.12 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1b44 h LYS 69 Cb 0.07 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1b44 h LYS 69 CO -0.11 0.41 0.02 -0.44 -0.57 0.00 0.00 179.45 178.75 1b44 h ASP 70 N 0.38 0.13 -0.54 0.86 3.32 -0.21 -2.27 116.42 118.10 1b44 h ASP 70 Ca 0.09 -0.25 0.02 0.00 0.02 0.00 0.00 57.03 56.91 1b44 h ASP 70 Cb 0.23 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 1b44 h ASP 70 CO 0.00 0.35 0.33 0.74 -1.72 0.00 0.00 179.24 178.94 1b44 h THR 71 N -0.09 1.07 -0.78 0.35 2.02 0.02 -1.81 112.91 113.69 1b44 h THR 71 Ca 0.03 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 66.96 1b44 h THR 71 Cb 0.27 0.35 -0.04 0.00 -1.74 0.00 0.00 68.15 67.00 1b44 h THR 71 CO 0.00 0.12 0.41 -0.07 0.37 0.00 0.00 175.52 176.35 1b44 h LEU 72 N 0.66 0.99 0.19 2.58 3.38 -0.87 0.10 115.31 122.35 1b44 h LEU 72 Ca 0.21 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1b44 h LEU 72 Cb 0.00 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.50 1b44 h LEU 72 CO -0.09 0.83 -0.09 -0.09 0.09 0.00 0.00 178.44 179.09 1b44 h ARG 73 N 1.09 -0.25 -0.50 1.13 2.43 -0.78 -1.08 114.38 116.42 1b44 h ARG 73 Ca 0.27 0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.39 1b44 h ARG 73 Cb 0.07 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1b44 h ARG 73 CO -0.04 -0.04 0.04 0.97 -1.51 0.00 0.00 179.97 179.40 1b44 h ILE 74 N -0.43 1.24 -0.93 1.20 6.09 -1.20 -0.86 117.51 122.62 1b44 h ILE 74 Ca -0.03 -0.93 0.00 0.00 -1.37 0.00 0.00 64.86 62.54 1b44 h ILE 74 Cb 0.33 0.81 -0.05 0.00 0.47 0.00 0.00 36.82 38.38 1b44 h ILE 74 CO 0.04 0.33 0.60 0.74 -3.07 0.00 0.00 178.15 176.80 1b44 h THR 75 N 0.75 1.24 0.56 2.19 2.02 -0.65 -0.43 112.91 118.59 1b44 h THR 75 Ca 0.15 -0.48 -0.03 0.00 0.77 0.00 0.00 66.41 66.83 1b44 h THR 75 Cb 0.39 -0.11 0.01 0.00 -1.74 0.00 0.00 68.15 66.70 1b44 h THR 75 CO 0.01 0.24 -0.27 0.22 0.37 0.00 0.00 175.52 176.10 1b44 h TYR 76 N 1.27 -0.70 -0.76 3.16 3.20 -0.47 -1.03 116.97 121.64 1b44 h TYR 76 Ca 0.34 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.28 1b44 h TYR 76 Cb -0.12 0.23 -0.05 0.00 1.54 0.00 0.00 36.73 38.33 1b44 h TYR 76 CO 0.00 -0.37 0.50 -0.07 -1.64 0.00 0.00 178.16 176.58 1b44 h LEU 77 N -1.05 0.63 -0.91 2.82 3.38 -0.97 -0.09 115.31 119.11 1b44 h LEU 77 Ca -0.08 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1b44 h LEU 77 Cb 0.64 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1b44 h LEU 77 CO 0.13 0.38 0.00 0.35 0.09 0.00 0.00 178.44 179.39 1b44 n THR 78 N -4.50 0.01 -2.85 0.22 -2.24 -0.19 -4.93 114.28 99.81 1b44 n THR 78 Ca 0.12 -0.24 -0.20 0.00 -2.27 0.00 0.00 64.05 61.46 1b44 n THR 78 Cb 0.31 0.43 0.01 0.00 -2.10 0.00 0.00 70.33 68.98 1b44 n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1b44 n GLU 79 N 0.11 -3.38 -2.38 -0.78 1.02 -0.05 -4.94 120.64 110.24 1b44 n GLU 79 Ca 0.19 0.77 -0.40 0.00 -0.02 0.00 0.00 57.16 57.71 1b44 n GLU 79 Cb 0.34 -5.51 -0.04 0.00 -0.02 0.00 0.00 31.44 26.21 1b44 n GLU 79 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1b44 s THR 80 N -2.98 3.29 -0.18 2.62 2.01 -0.45 -4.85 115.64 115.09 1b44 s THR 80 Ca 0.20 1.27 -0.27 0.00 0.31 0.00 0.00 61.69 63.20 1b44 s THR 80 Cb -0.10 -3.79 -0.01 0.00 0.01 0.00 0.00 72.50 68.61 1b44 s THR 80 CO 0.25 0.28 0.92 -0.75 -0.69 0.00 0.00 174.62 174.63 1b44 s LYS 81 N -1.64 4.30 -0.06 4.92 2.20 -1.26 -4.28 119.74 123.92 1b44 s LYS 81 Ca 0.47 1.17 -0.22 0.00 -0.36 0.00 0.00 55.97 57.03 1b44 s LYS 81 Cb -0.33 -3.59 -0.04 0.00 -1.51 0.00 0.00 37.83 32.36 1b44 s LYS 81 CO 0.43 -0.41 0.66 0.42 -0.36 0.00 0.00 175.35 176.08 1b44 s ILE 82 N 2.43 5.04 0.00 5.43 1.01 -0.43 -4.31 121.20 130.37 1b44 s ILE 82 Ca 0.41 1.35 0.00 0.00 0.00 0.00 0.00 60.65 62.42 1b44 s ILE 82 Cb -0.16 -4.00 0.00 0.00 0.01 0.00 0.00 42.46 38.31 1b44 s ILE 82 CO 0.12 0.29 0.00 -0.67 0.00 0.00 0.00 174.94 174.67 1b44 n ASP 83 N 3.60 0.00 -4.45 3.58 2.03 -0.14 -0.61 116.55 120.56 1b44 n ASP 83 Ca -0.03 0.34 -0.22 0.00 0.52 0.00 0.00 54.79 55.40 1b44 n ASP 83 Cb 0.51 -0.35 -0.10 0.00 -0.72 0.00 0.00 41.12 40.46 1b44 n ASP 83 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1b44 s LYS 84 N -0.71 1.60 -0.05 -0.67 1.02 -1.18 0.06 119.74 119.81 1b44 s LYS 84 Ca 0.00 -1.82 -0.02 0.00 0.02 0.00 0.00 55.97 54.15 1b44 s LYS 84 Cb 0.00 -1.23 0.03 0.00 -0.52 0.00 0.00 37.83 36.12 1b44 s LYS 84 CO 0.00 0.04 0.06 -0.51 -0.92 0.00 0.00 175.35 174.03 1b44 s LEU 85 N -3.47 0.16 -0.41 3.17 1.43 -0.64 -2.05 118.68 116.86 1b44 s LEU 85 Ca 0.30 0.02 -0.20 0.00 -1.03 0.00 0.00 54.13 53.22 1b44 s LEU 85 Cb 0.04 -0.15 0.02 0.00 0.03 0.00 0.00 46.19 46.13 1b44 s LEU 85 CO 0.13 -0.26 0.59 0.00 0.23 0.00 0.00 176.35 177.04 1b44 s VAL 87 N 2.64 1.46 -0.43 0.00 -7.23 -0.53 0.10 120.40 116.40 1b44 s VAL 87 Ca 0.21 -1.93 -0.23 0.00 -1.81 0.00 0.00 61.98 58.22 1b44 s VAL 87 Cb -0.15 -1.76 0.02 0.00 0.56 0.00 0.00 36.38 35.06 1b44 s VAL 87 CO 0.17 -0.51 0.76 0.26 -0.31 0.00 0.00 175.10 175.46 1b44 s TRP 88 N -2.56 3.03 -1.84 2.82 0.51 0.28 -0.32 118.94 120.86 1b44 s TRP 88 Ca 0.15 0.21 0.31 0.00 -2.12 0.00 0.00 56.10 54.65 1b44 s TRP 88 Cb -0.03 -3.55 1.78 0.00 -0.81 0.00 0.00 33.47 30.86 1b44 s TRP 88 CO 0.04 -0.91 2.17 0.27 -0.51 0.00 0.00 176.95 178.00 1b44 n ASN 89 N 6.58 0.04 -0.59 2.95 0.23 -0.36 -2.67 115.26 121.43 1b44 n ASN 89 Ca 0.02 -0.76 0.03 0.00 -0.53 0.00 0.00 54.58 53.34 1b44 n ASN 89 Cb 0.48 -0.08 0.11 0.00 -2.08 0.00 0.00 39.78 38.21 1b44 n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1b44 n ASN 90 N -1.06 1.62 -4.23 0.53 6.94 -1.26 -4.84 115.26 112.95 1b44 n ASN 90 Ca 0.21 -2.10 -0.16 0.00 -0.02 0.00 0.00 54.58 52.51 1b44 n ASN 90 Cb 0.15 -0.29 -0.11 0.00 -2.36 0.00 0.00 39.78 37.17 1b44 n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1b44 s LYS 91 N -1.64 1.01 -0.18 -3.83 -0.14 -1.23 -5.09 119.74 108.63 1b44 s LYS 91 Ca 0.15 -1.30 -0.01 0.00 -1.36 0.00 0.00 55.97 53.45 1b44 s LYS 91 Cb 0.09 -0.74 0.05 0.00 -1.68 0.00 0.00 37.83 35.55 1b44 s LYS 91 CO 0.08 0.12 -0.04 0.99 -0.76 0.00 0.00 175.35 175.74 1b44 s THR 92 N -2.61 1.11 1.01 2.17 2.01 -1.26 -2.78 115.64 115.30 1b44 s THR 92 Ca 0.11 -0.74 -0.16 0.00 0.31 0.00 0.00 61.69 61.21 1b44 s THR 92 Cb -0.02 -1.35 0.21 0.00 0.01 0.00 0.00 72.50 71.35 1b44 s THR 92 CO 0.02 0.04 1.23 -2.16 -0.69 0.00 0.00 174.62 173.06 1b44 s PRO 93 N 1.62 0.26 -0.04 4.92 0.04 -1.26 -5.05 135.00 135.48 1b44 s PRO 93 Ca -0.01 -0.19 -0.33 0.00 0.04 0.00 0.00 61.00 60.51 1b44 s PRO 93 Cb -0.16 -1.78 -0.11 0.00 0.04 0.00 0.00 34.50 32.48 1b44 s PRO 93 CO -0.07 -2.71 1.87 0.09 0.04 0.00 0.00 177.00 176.22 1b44 n ASN 94 N -4.02 3.57 -4.73 6.66 5.03 -1.12 -4.60 115.26 116.04 1b44 n ASN 94 Ca 0.13 0.97 -0.41 0.00 0.87 0.00 0.00 54.58 56.14 1b44 n ASN 94 Cb 0.59 -1.41 -0.04 0.00 -1.02 0.00 0.00 39.78 37.91 1b44 n ASN 94 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1b44 s SER 95 N 3.83 7.31 0.05 6.41 0.15 -1.09 -1.80 113.70 128.55 1b44 s SER 95 Ca 0.91 2.02 -0.29 0.00 0.70 0.00 0.00 55.95 59.28 1b44 s SER 95 Cb -0.64 -2.60 -0.05 0.00 -1.71 0.00 0.00 66.02 61.03 1b44 s SER 95 CO 0.48 -0.20 0.94 -0.63 1.20 0.00 0.00 173.24 175.03 1b44 s ILE 96 N -0.12 4.70 -0.07 6.45 1.01 0.14 -0.55 121.20 132.75 1b44 s ILE 96 Ca 0.49 1.99 0.04 0.00 0.00 0.00 0.00 60.65 63.17 1b44 s ILE 96 Cb -0.28 -4.29 -0.07 0.00 0.01 0.00 0.00 42.46 37.83 1b44 s ILE 96 CO 0.33 0.25 -0.01 0.00 0.00 0.00 0.00 174.94 175.51 1b44 n ALA 97 N 3.29 1.83 -3.06 9.38 0.00 0.11 -4.91 120.51 127.16 1b44 n ALA 97 Ca 0.03 -0.41 -0.11 0.00 0.00 0.00 0.00 53.44 52.96 1b44 n ALA 97 Cb 0.50 0.19 -0.04 0.00 0.00 0.00 0.00 19.45 20.09 1b44 n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b44 s ALA 98 N -2.16 -1.01 -0.04 0.00 0.00 -0.45 -4.98 121.76 113.12 1b44 s ALA 98 Ca -0.06 0.01 -0.06 0.00 0.00 0.00 0.00 51.96 51.84 1b44 s ALA 98 Cb 0.02 0.73 0.01 0.00 0.00 0.00 0.00 23.12 23.88 1b44 s ALA 98 CO 0.24 -0.67 0.15 -1.50 0.00 0.00 0.00 175.76 173.99 1b44 s ILE 99 N -3.80 0.02 0.05 0.00 2.07 -1.26 -1.44 121.20 116.84 1b44 s ILE 99 Ca 0.03 -0.19 0.04 0.00 -1.41 0.00 0.00 60.65 59.13 1b44 s ILE 99 Cb 0.01 -0.28 -0.02 0.00 0.13 0.00 0.00 42.46 42.30 1b44 s ILE 99 CO -0.12 -0.10 -0.12 -0.94 -1.91 0.00 0.00 174.94 171.75 1b44 s SER 100 N -0.31 1.40 -0.01 4.50 1.04 -0.87 -5.02 113.70 114.44 1b44 s SER 100 Ca -0.04 -0.52 -0.04 0.00 0.48 0.00 0.00 55.95 55.84 1b44 s SER 100 Cb -0.03 -0.05 -0.00 0.00 0.10 0.00 0.00 66.02 66.04 1b44 s SER 100 CO 0.01 -0.07 0.08 -0.04 0.98 0.00 0.00 173.24 174.20 1b44 s MET 101 N -1.41 0.29 -0.20 4.02 -1.94 -1.26 -0.97 119.30 117.82 1b44 s MET 101 Ca -0.03 -0.24 -0.04 0.00 -1.71 0.00 0.00 55.69 53.68 1b44 s MET 101 Cb -0.09 0.12 0.10 0.00 2.01 0.00 0.00 34.83 36.97 1b44 s MET 101 CO 0.01 -0.06 0.29 -1.83 -0.01 0.00 0.00 175.02 173.43 1b44 s GLU 102 N -0.82 0.24 -0.91 2.03 -1.05 -1.26 -4.90 118.70 112.03 1b44 s GLU 102 Ca -0.09 0.47 -0.23 0.00 -0.15 0.00 0.00 54.97 54.97 1b44 s GLU 102 Cb -0.05 -0.65 0.06 0.00 -0.44 0.00 0.00 34.13 33.05 1b44 s GLU 102 CO 0.00 -0.55 1.31 0.15 0.95 0.00 0.00 175.26 177.12 1b44 s LYS 103 N 2.43 3.46 -0.58 -4.83 1.02 -1.26 -4.89 119.74 115.09 1b44 s LYS 103 Ca 0.07 -1.03 -0.04 0.00 0.02 0.00 0.00 55.97 54.99 1b44 s LYS 103 Cb -0.15 -4.92 0.08 0.00 -0.52 0.00 0.00 37.83 32.32 1b44 s LYS 103 CO -0.12 -2.08 2.69 1.28 -0.92 0.00 0.00 175.35 176.20 1b44 n LEU 104 N 8.44 6.71 -3.71 3.17 4.32 -1.26 -4.93 117.00 129.74 1b44 n LEU 104 Ca 0.21 -4.21 -0.14 0.00 -0.02 0.00 0.00 56.01 51.86 1b44 n LEU 104 Cb 0.50 -1.24 -0.08 0.00 -1.62 0.00 0.00 43.42 40.98 1b44 n LEU 104 CO 0.64 1.78 0.10 0.00 -1.22 0.00 0.00 177.39 178.69 1b44 s ALA 105 N -1.75 -0.95 0.00 -1.18 0.00 -1.26 -5.33 121.76 111.29 1b44 s ALA 105 Ca 0.58 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.97 1b44 s ALA 105 Cb 0.36 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.62 1b44 s ALA 105 CO -0.21 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 175.63