#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 2.74 0.00 0.00 0.04 -1.26 -4.93 135.00 131.59 1b44 s PRO 2 Ca 0.00 2.05 0.13 0.00 0.04 0.00 0.00 61.00 63.22 1b44 s PRO 2 Cb 0.00 -1.94 0.31 0.00 0.04 0.00 0.00 34.50 32.91 1b44 s PRO 2 CO 0.00 -1.45 1.22 1.04 0.04 0.00 0.00 177.00 177.85 1b44 n GLN 3 N -1.68 2.44 -3.67 4.56 6.02 -1.26 -4.98 117.38 118.81 1b44 n GLN 3 Ca 0.14 -1.97 -0.15 0.00 -0.01 0.00 0.00 57.00 55.01 1b44 n GLN 3 Cb 0.48 -1.30 -0.07 0.00 1.02 0.00 0.00 30.24 30.36 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 -1.02 -0.35 0.20 1.08 0.15 -1.26 -5.03 113.70 107.47 1b44 s SER 4 Ca 0.25 0.27 -0.07 0.00 0.70 0.00 0.00 55.95 57.10 1b44 s SER 4 Cb 0.14 0.40 0.14 0.00 -1.71 0.00 0.00 66.02 64.98 1b44 s SER 4 CO 0.18 -0.53 1.64 -0.29 1.20 0.00 0.00 173.24 175.44 1b44 h ILE 5 N 3.46 1.26 -0.82 6.45 2.10 -1.96 -0.13 117.51 127.88 1b44 h ILE 5 Ca -0.29 -1.24 -0.03 0.00 1.08 0.00 0.00 64.86 64.38 1b44 h ILE 5 Cb 1.17 1.01 -0.04 0.00 -1.09 0.00 0.00 36.82 37.88 1b44 h ILE 5 CO 0.40 0.43 0.39 0.74 -1.08 0.00 0.00 178.15 179.03 1b44 h THR 6 N 0.82 1.25 -0.59 2.19 2.02 -1.98 0.20 112.91 116.83 1b44 h THR 6 Ca 0.13 -0.72 -0.11 0.00 0.77 0.00 0.00 66.41 66.49 1b44 h THR 6 Cb 0.65 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 1b44 h THR 6 CO 0.05 0.31 -0.05 -0.08 0.37 0.00 0.00 175.52 176.12 1b44 h GLU 7 N 1.17 1.07 -0.25 6.66 4.81 -1.86 -2.55 114.58 123.62 1b44 h GLU 7 Ca 0.28 -0.36 -0.15 0.00 -0.13 0.00 0.00 59.36 59.00 1b44 h GLU 7 Cb 0.12 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1b44 h GLU 7 CO -0.04 1.07 -0.46 1.25 -0.73 0.00 0.00 179.01 180.10 1b44 h LEU 8 N 0.96 0.71 -1.60 1.64 6.46 -0.37 -2.82 115.31 120.29 1b44 h LEU 8 Ca 0.16 -0.34 -0.05 0.00 -0.12 0.00 0.00 57.88 57.53 1b44 h LEU 8 Cb 0.62 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.34 1b44 h LEU 8 CO 0.04 1.06 -0.22 0.00 -0.62 0.00 0.00 178.44 178.70 1b44 h SER 10 N 0.00 0.00 0.02 0.00 0.02 -1.19 -2.94 113.55 109.46 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 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1b44 h SER 10 CO 0.03 0.00 -0.00 -0.62 -1.14 0.00 0.00 176.83 175.10 1b44 n GLU 11 N -2.74 1.16 -4.29 3.45 1.02 -0.57 -4.88 120.64 113.79 1b44 n GLU 11 Ca 0.01 -0.26 -0.20 0.00 -0.02 0.00 0.00 57.16 56.69 1b44 n GLU 11 Cb 0.26 -1.49 -0.11 0.00 -0.02 0.00 0.00 31.44 30.08 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 -2.02 1.61 0.11 -0.32 1.51 -1.11 -5.14 117.35 112.00 1b44 s TYR 12 Ca 0.45 -0.52 -0.14 0.00 -1.01 0.00 0.00 57.07 55.85 1b44 s TYR 12 Cb 0.22 -0.82 -0.07 0.00 -0.11 0.00 0.00 41.96 41.18 1b44 s TYR 12 CO 0.37 0.24 0.51 -1.01 -1.11 0.00 0.00 175.55 174.54 1b44 s HIS 13 N -2.15 3.63 -0.15 2.71 3.76 -1.26 -4.07 115.29 117.76 1b44 s HIS 13 Ca 0.13 1.02 0.00 0.00 -0.15 0.00 0.00 55.06 56.06 1b44 s HIS 13 Cb -0.05 -2.33 0.00 0.00 1.11 0.00 0.00 32.58 31.31 1b44 s HIS 13 CO 0.05 0.48 0.00 0.09 -0.85 0.00 0.00 174.74 174.51 1b44 n ASN 14 N 1.00 -3.92 -5.00 1.40 4.13 -1.26 -5.02 115.26 106.58 1b44 n ASN 14 Ca -0.07 0.04 -0.18 0.00 1.68 0.00 0.00 54.58 56.04 1b44 n ASN 14 Cb 0.52 -1.55 0.00 0.00 -1.54 0.00 0.00 39.78 37.21 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 -1.80 3.55 -0.24 3.41 -4.23 -1.26 -1.17 115.64 113.90 1b44 s THR 15 Ca 0.00 -1.00 -0.26 0.00 -1.18 0.00 0.00 61.69 59.25 1b44 s THR 15 Cb 0.00 -3.21 0.11 0.00 1.34 0.00 0.00 72.50 70.74 1b44 s THR 15 CO 0.00 -0.08 0.94 -1.58 -0.54 0.00 0.00 174.62 173.36 1b44 s GLN 16 N -4.26 0.63 -0.05 3.99 0.74 0.65 -4.83 119.66 116.53 1b44 s GLN 16 Ca 0.50 0.59 -0.20 0.00 0.05 0.00 0.00 55.36 56.29 1b44 s GLN 16 Cb -0.10 0.30 -0.05 0.00 1.10 0.00 0.00 33.01 34.27 1b44 s GLN 16 CO 0.32 -0.11 0.58 0.42 -0.55 0.00 0.00 175.29 175.95 1b44 s ILE 17 N -0.04 5.02 -0.21 -2.34 -1.09 -1.26 -1.47 121.20 119.81 1b44 s ILE 17 Ca 0.01 1.20 0.00 0.00 -2.23 0.00 0.00 60.65 59.63 1b44 s ILE 17 Cb -0.04 -3.92 0.05 0.00 -1.58 0.00 0.00 42.46 36.98 1b44 s ILE 17 CO -0.02 0.36 -0.06 -0.31 -1.23 0.00 0.00 174.94 173.67 1b44 s TYR 18 N 0.23 2.25 -0.56 3.97 2.02 -0.60 -4.97 117.35 119.69 1b44 s TYR 18 Ca 0.31 -1.57 -0.27 0.00 -0.37 0.00 0.00 57.07 55.17 1b44 s TYR 18 Cb -0.17 -1.54 -0.01 0.00 -0.40 0.00 0.00 41.96 39.84 1b44 s TYR 18 CO 0.15 -0.73 1.71 0.99 -1.57 0.00 0.00 175.55 176.10 1b44 s THR 19 N 1.45 3.49 -0.13 -0.71 2.01 -1.26 -1.71 115.64 118.78 1b44 s THR 19 Ca -0.03 0.37 -0.21 0.00 0.31 0.00 0.00 61.69 62.12 1b44 s THR 19 Cb -0.17 -4.07 -0.19 0.00 0.01 0.00 0.00 72.50 68.08 1b44 s THR 19 CO -0.07 -0.95 0.54 0.40 -0.69 0.00 0.00 174.62 173.85 1b44 h ILE 20 N 6.70 1.28 -6.99 1.82 1.08 -0.62 -3.49 117.51 117.30 1b44 h ILE 20 Ca -0.27 -1.98 -0.60 0.00 -0.39 0.00 0.00 64.86 61.61 1b44 h ILE 20 Cb 1.14 2.45 -0.20 0.00 -3.07 0.00 0.00 36.82 37.14 1b44 h ILE 20 CO 1.18 0.44 -0.95 -3.20 -0.69 0.00 0.00 178.15 174.93 1b44 n ASN 21 N -4.64 0.32 -3.45 1.72 5.15 0.18 -4.92 115.26 109.62 1b44 n ASN 21 Ca -0.08 -1.22 -0.11 0.00 -0.60 0.00 0.00 54.58 52.56 1b44 n ASN 21 Cb 0.37 -1.87 -0.02 0.00 -0.53 0.00 0.00 39.78 37.72 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 -4.23 -0.51 0.60 1.20 2.15 -0.77 -4.93 116.67 110.17 1b44 s ASP 22 Ca 0.11 0.02 -0.10 0.00 0.43 0.00 0.00 52.55 53.02 1b44 s ASP 22 Cb -0.06 0.53 -0.03 0.00 -0.30 0.00 0.00 42.92 43.06 1b44 s ASP 22 CO 0.98 -0.85 0.98 -1.59 -0.17 0.00 0.00 175.17 174.52 1b44 s LYS 23 N -3.47 3.51 0.30 4.34 -2.85 -1.26 -1.28 119.74 119.03 1b44 s LYS 23 Ca 0.02 0.59 -0.29 0.00 -1.00 0.00 0.00 55.97 55.29 1b44 s LYS 23 Cb -0.01 -2.14 -0.10 0.00 -2.06 0.00 0.00 37.83 33.52 1b44 s LYS 23 CO -0.11 -0.53 1.22 0.42 0.10 0.00 0.00 175.35 176.45 1b44 s ILE 24 N -3.09 3.07 -0.19 3.79 1.01 -1.26 -4.74 121.20 119.78 1b44 s ILE 24 Ca 0.54 1.06 -0.24 0.00 0.00 0.00 0.00 60.65 62.01 1b44 s ILE 24 Cb -0.11 -3.67 -0.21 0.00 0.01 0.00 0.00 42.46 38.48 1b44 s ILE 24 CO 0.52 0.24 0.36 0.25 0.00 0.00 0.00 174.94 176.31 1b44 h LEU 25 N 3.75 0.00 -7.67 2.97 5.85 -0.89 -3.49 115.31 115.83 1b44 h LEU 25 Ca -0.48 -0.64 -0.25 0.00 0.84 0.00 0.00 57.88 57.36 1b44 h LEU 25 Cb 1.22 0.00 -0.29 0.00 0.37 0.00 0.00 40.66 41.96 1b44 h LEU 25 CO 0.67 1.36 -0.72 -0.94 -0.34 0.00 0.00 178.44 178.47 1b44 s SER 26 N -6.68 0.01 -0.23 1.25 1.04 -0.86 -4.97 113.70 103.26 1b44 s SER 26 Ca -0.26 0.02 -0.05 0.00 0.48 0.00 0.00 55.95 56.14 1b44 s SER 26 Cb 0.03 -0.01 -0.01 0.00 0.10 0.00 0.00 66.02 66.14 1b44 s SER 26 CO 0.62 -0.03 -0.00 -0.47 0.98 0.00 0.00 173.24 174.33 1b44 s TYR 27 N 0.26 3.01 -0.11 5.02 5.04 -1.26 -2.07 117.35 127.24 1b44 s TYR 27 Ca -0.02 -0.80 0.04 0.00 -2.44 0.00 0.00 57.07 53.85 1b44 s TYR 27 Cb -0.03 -2.15 0.00 0.00 0.35 0.00 0.00 41.96 40.13 1b44 s TYR 27 CO -0.01 -0.50 -0.23 0.99 -1.34 0.00 0.00 175.55 174.47 1b44 s THR 28 N 1.52 2.00 -0.05 4.34 2.01 0.08 -4.99 115.64 120.55 1b44 s THR 28 Ca 0.06 -0.98 0.02 0.00 0.31 0.00 0.00 61.69 61.09 1b44 s THR 28 Cb -0.15 -1.74 0.02 0.00 0.01 0.00 0.00 72.50 70.64 1b44 s THR 28 CO -0.01 0.55 -0.07 -0.70 -0.69 0.00 0.00 174.62 173.70 1b44 s GLU 29 N 0.45 1.06 -0.02 4.92 2.12 -1.26 -0.62 118.70 125.35 1b44 s GLU 29 Ca -0.16 -0.21 0.05 0.00 0.36 0.00 0.00 54.97 55.00 1b44 s GLU 29 Cb -0.17 -0.98 -0.01 0.00 0.26 0.00 0.00 34.13 33.23 1b44 s GLU 29 CO 0.07 -0.02 -0.16 0.45 -0.54 0.00 0.00 175.26 175.05 1b44 s SER 30 N 0.73 1.98 0.00 -1.70 0.15 -0.64 -4.98 113.70 109.24 1b44 s SER 30 Ca -0.11 -0.31 0.06 0.00 0.70 0.00 0.00 55.95 56.29 1b44 s SER 30 Cb -0.14 -0.34 0.15 0.00 -1.71 0.00 0.00 66.02 63.98 1b44 s SER 30 CO 0.01 0.18 1.07 1.15 1.20 0.00 0.00 173.24 176.85 1b44 n MET 31 N 2.85 2.43 -1.89 5.44 0.00 -1.26 -2.67 117.12 122.02 1b44 n MET 31 Ca -0.16 -1.66 -0.40 0.00 0.00 0.00 0.00 57.70 55.49 1b44 n MET 31 Cb 0.54 -1.15 0.01 0.00 0.00 0.00 0.00 33.22 32.62 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 -0.92 3.23 0.03 3.17 0.00 -1.26 -4.81 121.76 121.20 1b44 s ALA 32 Ca 0.12 1.38 -0.37 0.00 0.00 0.00 0.00 51.96 53.09 1b44 s ALA 32 Cb 0.07 -3.55 -0.16 0.00 0.00 0.00 0.00 23.12 19.48 1b44 s ALA 32 CO 0.09 -1.07 1.50 0.41 0.00 0.00 0.00 175.76 176.68 1b44 n GLY 33 N 0.61 0.74 2.86 0.00 0.00 -1.26 -0.90 105.19 107.24 1b44 n GLY 33 Ca 0.05 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.81 1b44 n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1b44 n LYS 34 N 3.47 -0.76 -2.69 1.61 5.02 -1.26 -4.81 118.16 118.73 1b44 n LYS 34 Ca 0.20 0.19 -0.05 0.00 -2.02 0.00 0.00 58.31 56.63 1b44 n LYS 34 Cb 0.21 -3.95 0.04 0.00 -0.02 0.00 0.00 35.03 31.31 1b44 n LYS 34 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1b44 n ARG 35 N -1.16 1.96 -2.76 1.97 5.12 -0.08 -4.98 116.66 116.73 1b44 n ARG 35 Ca 0.00 -3.59 -0.43 0.00 -1.93 0.00 0.00 57.85 51.90 1b44 n ARG 35 Cb 0.19 -1.67 -0.03 0.00 -1.16 0.00 0.00 32.46 29.79 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 -3.68 3.61 0.35 5.56 8.01 -1.19 -4.12 118.70 127.23 1b44 s GLU 36 Ca 0.31 -1.48 -0.01 0.00 0.01 0.00 0.00 54.97 53.80 1b44 s GLU 36 Cb 0.35 -5.13 0.00 0.00 -4.31 0.00 0.00 34.13 25.05 1b44 s GLU 36 CO -0.02 -1.98 0.47 0.00 0.01 0.00 0.00 175.26 173.74 1b44 s MET 37 N 3.74 1.95 -0.01 1.61 0.23 -1.09 -4.15 119.30 121.58 1b44 s MET 37 Ca 0.39 -1.83 0.02 0.00 -1.03 0.00 0.00 55.69 53.24 1b44 s MET 37 Cb -0.02 0.44 -0.00 0.00 -1.53 0.00 0.00 34.83 33.71 1b44 s MET 37 CO -0.09 -0.80 -0.07 0.08 -2.03 0.00 0.00 175.02 172.11 1b44 s VAL 38 N -2.98 0.52 -0.11 5.16 1.01 -1.24 -1.63 120.40 121.13 1b44 s VAL 38 Ca 0.32 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.03 1b44 s VAL 38 Cb -0.00 -0.45 0.02 0.00 0.00 0.00 0.00 36.38 35.95 1b44 s VAL 38 CO 0.22 0.15 -0.10 -0.63 0.00 0.00 0.00 175.10 174.75 1b44 s ILE 39 N -0.11 1.17 -0.01 2.22 1.01 0.21 -1.56 121.20 124.13 1b44 s ILE 39 Ca 0.02 -0.40 0.07 0.00 0.00 0.00 0.00 60.65 60.34 1b44 s ILE 39 Cb -0.03 -1.14 -0.02 0.00 0.01 0.00 0.00 42.46 41.27 1b44 s ILE 39 CO -0.00 0.39 -0.22 0.27 0.00 0.00 0.00 174.94 175.37 1b44 s ILE 40 N 1.48 2.39 0.14 2.92 -4.36 -0.16 -0.75 121.20 122.87 1b44 s ILE 40 Ca 0.02 -1.07 0.05 0.00 -0.26 0.00 0.00 60.65 59.39 1b44 s ILE 40 Cb -0.13 -1.89 -0.04 0.00 1.25 0.00 0.00 42.46 41.64 1b44 s ILE 40 CO -0.07 0.52 -0.12 0.42 0.24 0.00 0.00 174.94 175.94 1b44 s THR 41 N -0.71 1.27 0.29 8.37 -4.23 -0.88 -0.63 115.64 119.13 1b44 s THR 41 Ca 0.11 -1.93 0.07 0.00 -1.18 0.00 0.00 61.69 58.76 1b44 s THR 41 Cb -0.10 -1.72 -0.06 0.00 1.34 0.00 0.00 72.50 71.96 1b44 s THR 41 CO 0.01 -0.61 -0.07 -0.36 -0.54 0.00 0.00 174.62 173.05 1b44 s PHE 42 N -2.82 2.00 -0.84 3.99 0.40 -0.80 -0.15 117.98 119.76 1b44 s PHE 42 Ca 0.14 -0.67 0.11 0.00 -0.60 0.00 0.00 56.93 55.91 1b44 s PHE 42 Cb -0.01 -1.14 0.50 0.00 0.51 0.00 0.00 43.02 42.89 1b44 s PHE 42 CO 0.02 0.32 1.35 0.36 0.70 0.00 0.00 175.22 177.97 1b44 n LYS 43 N -0.60 0.04 0.08 0.44 2.85 -1.26 -1.22 118.16 118.49 1b44 n LYS 43 Ca -0.05 0.41 0.12 0.00 -1.05 0.00 0.00 58.31 57.74 1b44 n LYS 43 Cb 0.63 -1.60 0.46 0.00 -0.65 0.00 0.00 35.03 33.87 1b44 n LYS 43 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1b44 n SER 44 N -1.68 0.51 0.00 -5.58 3.41 -1.26 -4.89 113.62 104.14 1b44 n SER 44 Ca 0.01 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 1b44 n SER 44 Cb 0.10 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.34 1b44 n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1b44 n GLY 45 N 0.77 3.01 3.74 5.00 0.00 -0.35 -5.07 105.19 112.29 1b44 n GLY 45 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1b44 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b44 s ALA 46 N -2.71 3.70 -0.04 4.61 0.00 -1.26 -4.81 121.76 121.26 1b44 s ALA 46 Ca 0.00 1.45 0.05 0.00 0.00 0.00 0.00 51.96 53.46 1b44 s ALA 46 Cb 0.00 -3.61 -0.01 0.00 0.00 0.00 0.00 23.12 19.50 1b44 s ALA 46 CO 0.00 -0.86 -0.21 0.99 0.00 0.00 0.00 175.76 175.69 1b44 s THR 47 N 0.15 1.71 0.16 0.00 2.01 -1.26 -1.91 115.64 116.49 1b44 s THR 47 Ca 0.63 -0.88 0.02 0.00 0.31 0.00 0.00 61.69 61.76 1b44 s THR 47 Cb -0.45 -1.44 -0.05 0.00 0.01 0.00 0.00 72.50 70.57 1b44 s THR 47 CO 0.44 0.48 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.47 1b44 s PHE 48 N -0.17 1.16 0.12 4.92 0.08 0.20 -3.79 117.98 120.50 1b44 s PHE 48 Ca -0.01 -0.98 -0.05 0.00 0.12 0.00 0.00 56.93 56.01 1b44 s PHE 48 Cb -0.11 -0.66 -0.02 0.00 -0.57 0.00 0.00 43.02 41.66 1b44 s PHE 48 CO 0.02 -0.18 0.13 1.14 -0.10 0.00 0.00 175.22 176.23 1b44 s GLN 49 N -3.89 0.93 -0.60 0.44 -2.07 -0.75 -0.99 119.66 112.73 1b44 s GLN 49 Ca 0.21 -1.24 0.04 0.00 -1.82 0.00 0.00 55.36 52.55 1b44 s GLN 49 Cb 0.06 0.29 0.15 0.00 -1.09 0.00 0.00 33.01 32.42 1b44 s GLN 49 CO 0.02 -0.29 0.37 0.08 -1.32 0.00 0.00 175.29 174.15 1b44 s VAL 50 N -3.97 2.75 0.72 3.63 1.01 -0.60 -0.61 120.40 123.33 1b44 s VAL 50 Ca 0.16 -3.74 -0.17 0.00 0.00 0.00 0.00 61.98 58.23 1b44 s VAL 50 Cb 0.06 -2.86 -0.09 0.00 0.00 0.00 0.00 36.38 33.49 1b44 s VAL 50 CO -0.03 -0.89 0.08 -1.84 0.00 0.00 0.00 175.10 172.42 1b44 n GLU 51 N 2.61 0.14 -1.90 2.72 0.28 -1.26 -3.63 120.64 119.60 1b44 n GLU 51 Ca 0.11 0.07 -0.42 0.00 -0.16 0.00 0.00 57.16 56.77 1b44 n GLU 51 Cb 0.33 -1.43 -0.02 0.00 1.43 0.00 0.00 31.44 31.75 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 -1.97 2.41 0.06 3.84 1.01 -1.26 -4.92 120.40 119.57 1b44 s VAL 52 Ca 0.58 0.33 -0.30 0.00 0.00 0.00 0.00 61.98 62.58 1b44 s VAL 52 Cb -0.35 -3.21 -0.09 0.00 0.00 0.00 0.00 36.38 32.73 1b44 s VAL 52 CO 0.65 0.04 1.86 -2.84 0.00 0.00 0.00 175.10 174.82 1b44 s PRO 53 N 0.14 4.15 0.00 2.72 0.02 -1.26 -4.93 135.00 135.84 1b44 s PRO 53 Ca 0.65 2.54 0.00 0.00 0.02 0.00 0.00 61.00 64.21 1b44 s PRO 53 Cb -0.45 -3.90 0.00 0.00 0.02 0.00 0.00 34.50 30.17 1b44 s PRO 53 CO 0.40 -0.89 0.00 0.41 -0.33 0.00 0.00 177.00 176.60 1b44 n GLY 54 N 4.35 4.50 0.23 0.52 0.00 -1.26 -5.06 105.19 108.48 1b44 n GLY 54 Ca 0.19 -0.90 0.11 0.00 0.00 0.00 0.00 46.02 45.42 1b44 n GLY 54 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1b44 h SER 55 N 0.00 0.00 0.47 1.61 4.64 -2.01 -2.94 113.55 115.32 1b44 h SER 55 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1b44 h SER 55 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1b44 h SER 55 CO 0.00 0.18 0.00 0.06 -0.87 0.00 0.00 176.83 176.20 1b44 h GLN 56 N 0.00 0.00 -6.12 4.77 -0.00 -1.97 -3.42 115.11 108.37 1b44 h GLN 56 Ca -0.00 0.00 -0.50 0.00 -0.00 0.00 0.00 58.65 58.14 1b44 h GLN 56 Cb 0.70 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.16 1b44 h GLN 56 CO 0.02 0.00 -0.45 -1.01 -0.00 0.00 0.00 178.83 177.39 1b44 s HIS 57 N -3.52 3.44 0.40 0.06 3.76 -1.11 -5.13 115.29 113.19 1b44 s HIS 57 Ca 0.01 0.04 0.08 0.00 -0.15 0.00 0.00 55.06 55.04 1b44 s HIS 57 Cb 0.09 -1.61 -0.04 0.00 1.11 0.00 0.00 32.58 32.13 1b44 s HIS 57 CO 0.35 0.48 0.23 0.96 -0.85 0.00 0.00 174.74 175.92 1b44 s ILE 58 N -1.86 2.53 0.45 0.60 -4.36 -1.26 -4.92 121.20 112.38 1b44 s ILE 58 Ca 0.34 -1.59 0.15 0.00 -0.26 0.00 0.00 60.65 59.28 1b44 s ILE 58 Cb -0.10 -3.00 0.32 0.00 1.25 0.00 0.00 42.46 40.94 1b44 s ILE 58 CO 0.28 -0.03 2.01 0.44 0.24 0.00 0.00 174.94 177.88 1b44 h ASP 59 N 1.33 0.30 -0.49 4.36 3.32 -1.98 -2.68 116.42 120.58 1b44 h ASP 59 Ca -0.43 0.00 0.06 0.00 0.02 0.00 0.00 57.03 56.69 1b44 h ASP 59 Cb 1.26 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 40.69 1b44 h ASP 59 CO 0.65 0.19 0.19 0.28 -1.72 0.00 0.00 179.24 178.82 1b44 h SER 60 N 0.34 0.20 0.33 6.45 0.02 -2.05 -2.09 113.55 116.75 1b44 h SER 60 Ca 0.23 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.22 1b44 h SER 60 Cb 0.48 0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.05 1b44 h SER 60 CO -0.06 0.15 -0.10 1.56 -1.14 0.00 0.00 176.83 177.24 1b44 h GLN 61 N 0.37 0.00 -0.99 3.45 4.20 -1.88 -3.34 115.11 116.92 1b44 h GLN 61 Ca 0.23 0.00 0.15 0.00 0.06 0.00 0.00 58.65 59.10 1b44 h GLN 61 Cb 0.23 0.00 -0.16 0.00 0.30 0.00 0.00 27.48 27.85 1b44 h GLN 61 CO -0.23 0.10 -0.39 1.63 -0.67 0.00 0.00 178.83 179.28 1b44 n LYS 62 N -3.66 -0.23 0.08 1.46 5.02 -0.79 -0.49 118.16 119.56 1b44 n LYS 62 Ca -0.02 1.52 -0.15 0.00 -2.02 0.00 0.00 58.31 57.65 1b44 n LYS 62 Cb 0.22 -2.26 -0.08 0.00 -0.02 0.00 0.00 35.03 32.89 1b44 n LYS 62 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1b44 h LYS 63 N 0.00 0.37 -0.05 1.97 1.57 -1.78 -3.19 116.57 115.46 1b44 h LYS 63 Ca 0.34 -0.47 0.02 0.00 -1.87 0.00 0.00 60.65 58.66 1b44 h LYS 63 Cb 0.59 0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.05 1b44 h LYS 63 CO -0.98 1.16 0.04 0.00 -0.57 0.00 0.00 179.45 179.10 1b44 h ALA 64 N 0.66 1.96 -0.01 3.86 0.00 -1.13 0.14 119.26 124.75 1b44 h ALA 64 Ca -0.11 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1b44 h ALA 64 Cb 1.74 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.53 1b44 h ALA 64 CO 0.18 -0.07 -0.01 0.82 0.00 0.00 0.00 179.25 180.17 1b44 h ILE 65 N 0.00 1.41 -0.66 0.00 2.04 -0.78 -1.71 117.51 117.81 1b44 h ILE 65 Ca 0.03 -1.21 -0.02 0.00 1.00 0.00 0.00 64.86 64.65 1b44 h ILE 65 Cb 0.11 2.21 -0.03 0.00 -0.74 0.00 0.00 36.82 38.37 1b44 h ILE 65 CO -0.00 0.32 0.32 -0.33 0.00 0.00 0.00 178.15 178.45 1b44 h GLU 66 N -0.48 0.93 -0.28 2.37 4.39 -1.31 -1.92 114.58 118.28 1b44 h GLU 66 Ca 0.00 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 1b44 h GLU 66 Cb 0.53 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 1b44 h GLU 66 CO 0.00 0.72 0.12 -0.09 -1.16 0.00 0.00 179.01 178.61 1b44 h ARG 67 N 0.93 0.41 -0.26 2.33 2.43 -0.72 -0.73 114.38 118.78 1b44 h ARG 67 Ca 0.23 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 59.36 1b44 h ARG 67 Cb 0.10 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 1b44 h ARG 67 CO -0.03 0.42 0.05 1.98 -1.51 0.00 0.00 179.97 180.89 1b44 h MET 68 N 0.31 0.15 -0.35 0.20 4.05 -0.80 0.16 114.93 118.66 1b44 h MET 68 Ca 0.09 -0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.47 1b44 h MET 68 Cb 0.16 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.90 1b44 h MET 68 CO -0.01 0.10 0.09 0.87 0.23 0.00 0.00 176.91 178.19 1b44 h LYS 69 N 0.15 0.51 -0.09 0.39 1.57 -1.15 0.56 116.57 118.53 1b44 h LYS 69 Ca 0.12 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1b44 h LYS 69 Cb 0.12 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 1b44 h LYS 69 CO -0.15 0.47 0.03 -0.44 -0.57 0.00 0.00 179.45 178.80 1b44 h ASP 70 N 0.51 0.12 -0.62 0.86 3.32 0.27 -2.05 116.42 118.82 1b44 h ASP 70 Ca 0.12 -0.16 0.02 0.00 0.02 0.00 0.00 57.03 57.03 1b44 h ASP 70 Cb 0.19 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 1b44 h ASP 70 CO -0.00 0.25 0.39 0.74 -1.72 0.00 0.00 179.24 178.89 1b44 h THR 71 N -0.02 1.10 -0.75 0.35 2.02 0.13 -1.96 112.91 113.78 1b44 h THR 71 Ca 0.03 -0.27 -0.04 0.00 0.77 0.00 0.00 66.41 66.90 1b44 h THR 71 Cb 0.17 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 66.80 1b44 h THR 71 CO -0.00 0.14 0.32 -0.07 0.37 0.00 0.00 175.52 176.28 1b44 h LEU 72 N 0.78 1.02 0.10 2.58 3.38 -0.75 0.68 115.31 123.09 1b44 h LEU 72 Ca 0.25 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1b44 h LEU 72 Cb -0.01 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.48 1b44 h LEU 72 CO -0.09 0.90 -0.05 -0.09 0.09 0.00 0.00 178.44 179.20 1b44 h ARG 73 N 1.07 -0.12 -0.38 1.13 2.43 -0.94 -1.38 114.38 116.19 1b44 h ARG 73 Ca 0.25 0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.34 1b44 h ARG 73 Cb 0.19 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 1b44 h ARG 73 CO -0.02 0.08 -0.12 0.97 -1.51 0.00 0.00 179.97 179.36 1b44 h ILE 74 N -0.31 1.25 -0.69 1.20 6.09 -1.26 -1.28 117.51 122.51 1b44 h ILE 74 Ca -0.01 -1.14 -0.02 0.00 -1.37 0.00 0.00 64.86 62.32 1b44 h ILE 74 Cb 0.26 1.10 -0.03 0.00 0.47 0.00 0.00 36.82 38.62 1b44 h ILE 74 CO 0.02 0.38 0.33 0.74 -3.07 0.00 0.00 178.15 176.55 1b44 h THR 75 N 0.61 1.22 0.48 2.19 2.02 -0.75 0.05 112.91 118.74 1b44 h THR 75 Ca 0.11 -0.61 -0.02 0.00 0.77 0.00 0.00 66.41 66.65 1b44 h THR 75 Cb 0.57 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 1b44 h THR 75 CO 0.04 0.26 -0.23 0.22 0.37 0.00 0.00 175.52 176.17 1b44 h TYR 76 N 0.97 -0.60 -0.92 3.16 3.20 -0.84 -0.70 116.97 121.25 1b44 h TYR 76 Ca 0.24 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.20 1b44 h TYR 76 Cb 0.10 0.20 -0.07 0.00 1.54 0.00 0.00 36.73 38.49 1b44 h TYR 76 CO 0.01 -0.28 0.59 -0.07 -1.64 0.00 0.00 178.16 176.77 1b44 h LEU 77 N -1.01 0.82 -0.70 2.82 3.38 -1.04 0.18 115.31 119.76 1b44 h LEU 77 Ca -0.07 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1b44 h LEU 77 Cb 0.59 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1b44 h LEU 77 CO 0.11 0.47 0.00 0.35 0.09 0.00 0.00 178.44 179.46 1b44 n THR 78 N -4.55 0.02 -2.81 0.22 -2.24 -0.01 -4.92 114.28 99.99 1b44 n THR 78 Ca 0.16 -0.19 -0.19 0.00 -2.27 0.00 0.00 64.05 61.56 1b44 n THR 78 Cb 0.33 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 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 -0.14 -3.09 -2.36 -0.78 1.02 0.05 -4.93 120.64 110.42 1b44 n GLU 79 Ca 0.20 0.71 -0.40 0.00 -0.02 0.00 0.00 57.16 57.65 1b44 n GLU 79 Cb 0.28 -5.41 -0.03 0.00 -0.02 0.00 0.00 31.44 26.25 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 -2.90 3.24 -0.19 2.62 2.01 -0.33 -4.85 115.64 115.24 1b44 s THR 80 Ca 0.17 1.23 -0.27 0.00 0.31 0.00 0.00 61.69 63.13 1b44 s THR 80 Cb -0.09 -3.77 -0.00 0.00 0.01 0.00 0.00 72.50 68.65 1b44 s THR 80 CO 0.22 0.27 0.94 -0.75 -0.69 0.00 0.00 174.62 174.61 1b44 s LYS 81 N -1.64 4.29 -0.08 4.92 2.20 -1.26 -4.27 119.74 123.90 1b44 s LYS 81 Ca 0.47 1.21 -0.22 0.00 -0.36 0.00 0.00 55.97 57.07 1b44 s LYS 81 Cb -0.34 -3.61 -0.04 0.00 -1.51 0.00 0.00 37.83 32.34 1b44 s LYS 81 CO 0.44 -0.47 0.63 0.42 -0.36 0.00 0.00 175.35 176.01 1b44 s ILE 82 N 2.64 5.08 0.00 5.43 1.01 -0.40 -4.32 121.20 130.64 1b44 s ILE 82 Ca 0.42 1.30 0.00 0.00 0.00 0.00 0.00 60.65 62.36 1b44 s ILE 82 Cb -0.16 -3.97 0.00 0.00 0.01 0.00 0.00 42.46 38.34 1b44 s ILE 82 CO 0.10 0.28 0.01 -0.67 0.00 0.00 0.00 174.94 174.66 1b44 n ASP 83 N 3.69 0.00 -4.45 3.58 2.03 -0.03 -0.64 116.55 120.73 1b44 n ASP 83 Ca -0.03 0.38 -0.22 0.00 0.52 0.00 0.00 54.79 55.44 1b44 n ASP 83 Cb 0.51 -0.37 -0.10 0.00 -0.72 0.00 0.00 41.12 40.44 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 -0.76 1.60 -0.07 -0.67 1.02 -1.17 0.05 119.74 119.75 1b44 s LYS 84 Ca 0.00 -1.84 -0.03 0.00 0.02 0.00 0.00 55.97 54.12 1b44 s LYS 84 Cb 0.00 -1.12 0.04 0.00 -0.52 0.00 0.00 37.83 36.23 1b44 s LYS 84 CO 0.00 -0.03 0.10 -0.51 -0.92 0.00 0.00 175.35 174.00 1b44 s LEU 85 N -3.47 0.07 -0.39 3.17 1.43 -0.69 -2.02 118.68 116.77 1b44 s LEU 85 Ca 0.32 0.12 -0.20 0.00 -1.03 0.00 0.00 54.13 53.34 1b44 s LEU 85 Cb 0.05 0.01 0.01 0.00 0.03 0.00 0.00 46.19 46.30 1b44 s LEU 85 CO 0.13 -0.26 0.59 0.00 0.23 0.00 0.00 176.35 177.05 1b44 s VAL 87 N 2.63 1.50 -0.45 0.00 -7.23 -0.54 -0.12 120.40 116.19 1b44 s VAL 87 Ca 0.21 -2.02 -0.22 0.00 -1.81 0.00 0.00 61.98 58.14 1b44 s VAL 87 Cb -0.15 -1.85 0.03 0.00 0.56 0.00 0.00 36.38 34.97 1b44 s VAL 87 CO 0.16 -0.56 0.72 0.26 -0.31 0.00 0.00 175.10 175.36 1b44 s TRP 88 N -2.77 3.02 -1.92 2.82 0.51 0.38 -0.26 118.94 120.73 1b44 s TRP 88 Ca 0.17 0.02 0.31 0.00 -2.12 0.00 0.00 56.10 54.48 1b44 s TRP 88 Cb -0.01 -3.53 1.75 0.00 -0.81 0.00 0.00 33.47 30.87 1b44 s TRP 88 CO 0.04 -0.95 2.15 0.27 -0.51 0.00 0.00 176.95 177.95 1b44 n ASN 89 N 6.52 0.12 -1.21 2.95 0.23 -0.32 -2.63 115.26 120.92 1b44 n ASN 89 Ca 0.00 -0.87 0.03 0.00 -0.53 0.00 0.00 54.58 53.21 1b44 n ASN 89 Cb 0.48 -0.05 0.20 0.00 -2.08 0.00 0.00 39.78 38.33 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 -0.97 3.37 -4.15 0.53 6.94 -1.26 -4.84 115.26 114.89 1b44 n ASN 90 Ca 0.22 -2.48 -0.15 0.00 -0.02 0.00 0.00 54.58 52.15 1b44 n ASN 90 Cb 0.16 -0.60 -0.11 0.00 -2.36 0.00 0.00 39.78 36.87 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 -1.87 0.77 -0.19 -3.83 -0.14 -1.23 -5.09 119.74 108.16 1b44 s LYS 91 Ca 0.27 -1.03 0.00 0.00 -1.36 0.00 0.00 55.97 53.85 1b44 s LYS 91 Cb 0.21 -0.52 0.04 0.00 -1.68 0.00 0.00 37.83 35.88 1b44 s LYS 91 CO 0.08 0.09 -0.07 0.99 -0.76 0.00 0.00 175.35 175.68 1b44 s THR 92 N -2.02 1.38 1.03 2.17 2.01 -1.26 -2.72 115.64 116.24 1b44 s THR 92 Ca 0.01 -0.87 -0.17 0.00 0.31 0.00 0.00 61.69 60.97 1b44 s THR 92 Cb -0.06 -1.53 0.22 0.00 0.01 0.00 0.00 72.50 71.14 1b44 s THR 92 CO 0.00 0.11 1.25 -2.16 -0.69 0.00 0.00 174.62 173.13 1b44 s PRO 93 N 1.50 0.09 -0.00 4.92 0.04 -1.26 -5.05 135.00 135.24 1b44 s PRO 93 Ca -0.01 -0.28 -0.33 0.00 0.04 0.00 0.00 61.00 60.42 1b44 s PRO 93 Cb -0.16 -1.77 -0.11 0.00 0.04 0.00 0.00 34.50 32.50 1b44 s PRO 93 CO -0.08 -2.80 1.85 0.09 0.04 0.00 0.00 177.00 176.10 1b44 n ASN 94 N -4.07 3.62 -4.74 6.66 5.03 -1.10 -4.62 115.26 116.04 1b44 n ASN 94 Ca 0.14 0.98 -0.41 0.00 0.87 0.00 0.00 54.58 56.16 1b44 n ASN 94 Cb 0.59 -1.43 -0.05 0.00 -1.02 0.00 0.00 39.78 37.88 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 3.55 7.45 0.07 6.41 0.15 -1.08 -1.81 113.70 128.44 1b44 s SER 95 Ca 0.89 1.95 -0.30 0.00 0.70 0.00 0.00 55.95 59.18 1b44 s SER 95 Cb -0.61 -2.60 -0.05 0.00 -1.71 0.00 0.00 66.02 61.05 1b44 s SER 95 CO 0.46 -0.07 1.00 -0.63 1.20 0.00 0.00 173.24 175.21 1b44 s ILE 96 N -0.39 4.52 -0.06 6.45 1.01 0.22 -0.47 121.20 132.49 1b44 s ILE 96 Ca 0.46 1.96 0.03 0.00 0.00 0.00 0.00 60.65 63.11 1b44 s ILE 96 Cb -0.26 -4.26 -0.06 0.00 0.01 0.00 0.00 42.46 37.89 1b44 s ILE 96 CO 0.32 0.24 -0.00 0.00 0.00 0.00 0.00 174.94 175.50 1b44 n ALA 97 N 3.24 1.87 -3.18 9.38 0.00 0.83 -4.90 120.51 127.75 1b44 n ALA 97 Ca 0.04 -0.32 -0.10 0.00 0.00 0.00 0.00 53.44 53.06 1b44 n ALA 97 Cb 0.49 0.20 -0.04 0.00 0.00 0.00 0.00 19.45 20.10 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 -2.13 -0.92 -0.05 0.00 0.00 -0.42 -4.97 121.76 113.26 1b44 s ALA 98 Ca -0.04 -0.17 -0.10 0.00 0.00 0.00 0.00 51.96 51.66 1b44 s ALA 98 Cb 0.02 0.81 0.02 0.00 0.00 0.00 0.00 23.12 23.96 1b44 s ALA 98 CO 0.19 -0.74 0.23 -1.50 0.00 0.00 0.00 175.76 173.94 1b44 s ILE 99 N -3.85 0.03 0.03 0.00 2.07 -1.26 -1.77 121.20 116.46 1b44 s ILE 99 Ca 0.07 -0.27 0.03 0.00 -1.41 0.00 0.00 60.65 59.08 1b44 s ILE 99 Cb 0.00 -0.42 -0.02 0.00 0.13 0.00 0.00 42.46 42.15 1b44 s ILE 99 CO -0.06 -0.15 -0.10 -0.94 -1.91 0.00 0.00 174.94 171.78 1b44 s SER 100 N -0.54 1.19 -0.01 4.50 1.04 -0.86 -5.01 113.70 114.02 1b44 s SER 100 Ca -0.06 -0.43 0.01 0.00 0.48 0.00 0.00 55.95 55.94 1b44 s SER 100 Cb -0.04 -0.04 -0.00 0.00 0.10 0.00 0.00 66.02 66.04 1b44 s SER 100 CO 0.01 -0.05 -0.04 -0.04 0.98 0.00 0.00 173.24 174.10 1b44 s MET 101 N -1.15 0.34 -0.25 4.02 -1.94 -1.26 -0.85 119.30 118.21 1b44 s MET 101 Ca -0.03 -0.13 -0.01 0.00 -1.71 0.00 0.00 55.69 53.81 1b44 s MET 101 Cb -0.08 -0.34 0.08 0.00 2.01 0.00 0.00 34.83 36.50 1b44 s MET 101 CO 0.01 0.07 0.04 -2.00 -0.01 0.00 0.00 175.02 173.13 1b44 s GLU 102 N -0.02 0.97 0.67 2.03 2.12 -1.26 -4.90 118.70 118.30 1b44 s GLU 102 Ca 0.01 -0.88 -0.11 0.00 0.36 0.00 0.00 54.97 54.35 1b44 s GLU 102 Cb -0.02 -2.24 -0.01 0.00 0.26 0.00 0.00 34.13 32.11 1b44 s GLU 102 CO -0.00 -0.77 1.05 0.15 -0.54 0.00 0.00 175.26 175.15 1b44 s LYS 103 N 1.60 3.19 -1.29 4.30 3.01 -1.26 -4.20 119.74 125.10 1b44 s LYS 103 Ca 0.02 0.83 -0.11 0.00 -1.01 0.00 0.00 55.97 55.70 1b44 s LYS 103 Cb -0.18 -2.03 0.00 0.00 -1.01 0.00 0.00 37.83 34.62 1b44 s LYS 103 CO -0.14 -0.88 0.57 -0.11 0.51 0.00 0.00 175.35 175.30 1b44 n LEU 104 N -2.97 -2.28 -4.22 3.17 -0.00 -1.26 -4.94 117.00 104.50 1b44 n LEU 104 Ca 0.07 -1.04 -0.42 0.00 -0.00 0.00 0.00 56.01 54.62 1b44 n LEU 104 Cb 0.54 -2.23 -0.07 0.00 -0.00 0.00 0.00 43.42 41.66 1b44 n LEU 104 CO 0.57 0.48 0.11 0.00 -0.00 0.00 0.00 177.39 178.55 1b44 s ALA 105 N -3.75 3.63 0.00 1.96 0.00 -1.26 -5.34 121.76 117.00 1b44 s ALA 105 Ca 0.22 -2.90 0.00 0.00 0.00 0.00 0.00 51.96 49.28 1b44 s ALA 105 Cb -0.09 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 20.05 1b44 s ALA 105 CO 0.89 -2.05 0.00 0.41 0.00 0.00 0.00 175.76 175.00