#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 2.81 0.00 0.00 0.04 -1.26 -4.93 135.00 131.67 1b44 s PRO 2 Ca 0.00 1.99 0.14 0.00 0.04 0.00 0.00 61.00 63.17 1b44 s PRO 2 Cb 0.00 -1.94 0.30 0.00 0.04 0.00 0.00 34.50 32.90 1b44 s PRO 2 CO 0.00 -1.37 1.20 1.04 0.04 0.00 0.00 177.00 177.91 1b44 n GLN 3 N -1.64 2.18 -3.75 4.56 6.02 -1.26 -4.98 117.38 118.52 1b44 n GLN 3 Ca 0.14 -1.92 -0.13 0.00 -0.01 0.00 0.00 57.00 55.08 1b44 n GLN 3 Cb 0.48 -1.33 -0.08 0.00 1.02 0.00 0.00 30.24 30.33 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 -1.08 -0.19 0.22 1.08 0.15 -1.26 -5.02 113.70 107.59 1b44 s SER 4 Ca 0.26 0.03 -0.04 0.00 0.70 0.00 0.00 55.95 56.90 1b44 s SER 4 Cb 0.15 0.33 0.20 0.00 -1.71 0.00 0.00 66.02 64.99 1b44 s SER 4 CO 0.20 -0.50 1.62 -0.29 1.20 0.00 0.00 173.24 175.47 1b44 h ILE 5 N 3.63 1.28 -0.57 6.45 2.10 -1.96 -0.14 117.51 128.29 1b44 h ILE 5 Ca -0.30 -1.38 -0.08 0.00 1.08 0.00 0.00 64.86 64.18 1b44 h ILE 5 Cb 1.18 1.29 -0.02 0.00 -1.09 0.00 0.00 36.82 38.18 1b44 h ILE 5 CO 0.42 0.45 0.04 0.74 -1.08 0.00 0.00 178.15 178.72 1b44 h THR 6 N 0.62 1.25 -0.37 2.19 2.02 -1.99 0.82 112.91 117.46 1b44 h THR 6 Ca 0.08 -1.05 -0.14 0.00 0.77 0.00 0.00 66.41 66.07 1b44 h THR 6 Cb 0.77 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1b44 h THR 6 CO 0.06 0.38 -0.32 -0.08 0.37 0.00 0.00 175.52 175.93 1b44 h GLU 7 N 0.89 0.83 -0.34 6.66 4.81 -1.86 -2.65 114.58 122.92 1b44 h GLU 7 Ca 0.17 -0.40 -0.14 0.00 -0.13 0.00 0.00 59.36 58.86 1b44 h GLU 7 Cb 0.47 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 1b44 h GLU 7 CO 0.02 1.03 -0.36 1.25 -0.73 0.00 0.00 179.01 180.23 1b44 h LEU 8 N 0.70 0.83 -1.66 1.64 6.46 -0.64 -2.84 115.31 119.79 1b44 h LEU 8 Ca 0.07 -0.36 -0.04 0.00 -0.12 0.00 0.00 57.88 57.44 1b44 h LEU 8 Cb 0.88 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.57 1b44 h LEU 8 CO 0.08 1.10 -0.19 0.00 -0.62 0.00 0.00 178.44 178.81 1b44 h SER 10 N 0.00 0.00 0.17 0.00 0.02 -1.22 -3.01 113.55 109.52 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 0.44 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1b44 h SER 10 CO 0.02 0.00 -0.02 -0.62 -1.14 0.00 0.00 176.83 175.08 1b44 n GLU 11 N -2.98 0.91 -4.32 3.45 1.02 -0.73 -4.89 120.64 113.11 1b44 n GLU 11 Ca 0.00 -0.14 -0.22 0.00 -0.02 0.00 0.00 57.16 56.78 1b44 n GLU 11 Cb 0.27 -1.50 -0.12 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 -2.19 1.79 0.12 -0.32 1.51 -1.14 -5.13 117.35 111.99 1b44 s TYR 12 Ca 0.40 -0.46 -0.15 0.00 -1.01 0.00 0.00 57.07 55.86 1b44 s TYR 12 Cb 0.21 -0.92 -0.07 0.00 -0.11 0.00 0.00 41.96 41.08 1b44 s TYR 12 CO 0.40 0.29 0.53 -1.01 -1.11 0.00 0.00 175.55 174.65 1b44 s HIS 13 N -1.82 3.64 -0.13 2.71 3.76 -1.26 -4.03 115.29 118.16 1b44 s HIS 13 Ca 0.13 1.06 0.00 0.00 -0.15 0.00 0.00 55.06 56.10 1b44 s HIS 13 Cb -0.07 -2.36 0.00 0.00 1.11 0.00 0.00 32.58 31.26 1b44 s HIS 13 CO 0.06 0.47 0.00 0.09 -0.85 0.00 0.00 174.74 174.51 1b44 n ASN 14 N 1.01 -3.92 -4.99 1.40 4.13 -1.26 -5.02 115.26 106.60 1b44 n ASN 14 Ca -0.07 0.03 -0.19 0.00 1.68 0.00 0.00 54.58 56.03 1b44 n ASN 14 Cb 0.52 -1.53 0.00 0.00 -1.54 0.00 0.00 39.78 37.23 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 -1.79 3.65 -0.27 3.41 -4.23 -1.26 -1.18 115.64 113.98 1b44 s THR 15 Ca 0.00 -0.92 -0.25 0.00 -1.18 0.00 0.00 61.69 59.34 1b44 s THR 15 Cb 0.00 -3.27 0.11 0.00 1.34 0.00 0.00 72.50 70.68 1b44 s THR 15 CO 0.00 -0.12 0.93 -1.58 -0.54 0.00 0.00 174.62 173.32 1b44 s GLN 16 N -4.31 0.61 -0.04 3.99 0.74 0.39 -4.83 119.66 116.22 1b44 s GLN 16 Ca 0.49 0.71 -0.21 0.00 0.05 0.00 0.00 55.36 56.40 1b44 s GLN 16 Cb -0.10 0.30 -0.05 0.00 1.10 0.00 0.00 33.01 34.26 1b44 s GLN 16 CO 0.33 -0.08 0.61 0.42 -0.55 0.00 0.00 175.29 176.02 1b44 s ILE 17 N 0.23 4.99 -0.24 -2.34 -1.09 -1.26 -1.45 121.20 120.05 1b44 s ILE 17 Ca 0.02 1.26 0.01 0.00 -2.23 0.00 0.00 60.65 59.71 1b44 s ILE 17 Cb -0.05 -3.95 0.06 0.00 -1.58 0.00 0.00 42.46 36.94 1b44 s ILE 17 CO -0.04 0.35 -0.07 -0.31 -1.23 0.00 0.00 174.94 173.65 1b44 s TYR 18 N 0.24 2.56 -0.60 3.97 2.02 -0.44 -4.96 117.35 120.14 1b44 s TYR 18 Ca 0.32 -1.86 -0.27 0.00 -0.37 0.00 0.00 57.07 54.89 1b44 s TYR 18 Cb -0.18 -1.65 0.01 0.00 -0.40 0.00 0.00 41.96 39.74 1b44 s TYR 18 CO 0.16 -0.79 1.53 0.99 -1.57 0.00 0.00 175.55 175.87 1b44 s THR 19 N 1.34 3.64 -0.10 -0.71 2.01 -1.26 -1.73 115.64 118.83 1b44 s THR 19 Ca -0.06 0.48 -0.17 0.00 0.31 0.00 0.00 61.69 62.25 1b44 s THR 19 Cb -0.19 -4.35 -0.14 0.00 0.01 0.00 0.00 72.50 67.83 1b44 s THR 19 CO -0.06 -1.19 0.55 0.40 -0.69 0.00 0.00 174.62 173.63 1b44 h ILE 20 N 6.47 0.87 -6.85 1.82 1.08 -0.48 -3.48 117.51 116.93 1b44 h ILE 20 Ca -0.27 -1.47 -0.57 0.00 -0.39 0.00 0.00 64.86 62.16 1b44 h ILE 20 Cb 1.11 1.58 -0.19 0.00 -3.07 0.00 0.00 36.82 36.24 1b44 h ILE 20 CO 1.20 0.27 -0.90 -3.20 -0.69 0.00 0.00 178.15 174.83 1b44 n ASN 21 N -4.78 -0.81 -3.47 1.72 5.15 0.45 -4.93 115.26 108.60 1b44 n ASN 21 Ca -0.06 -1.13 -0.12 0.00 -0.60 0.00 0.00 54.58 52.67 1b44 n ASN 21 Cb 0.25 -2.30 -0.02 0.00 -0.53 0.00 0.00 39.78 37.18 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 -3.97 -0.52 0.57 1.20 2.15 -0.78 -4.93 116.67 110.40 1b44 s ASP 22 Ca 0.30 -0.07 -0.12 0.00 0.43 0.00 0.00 52.55 53.08 1b44 s ASP 22 Cb -0.17 0.60 -0.05 0.00 -0.30 0.00 0.00 42.92 43.00 1b44 s ASP 22 CO 0.95 -0.99 0.99 -1.59 -0.17 0.00 0.00 175.17 174.37 1b44 s LYS 23 N -3.77 3.70 0.29 4.34 -2.85 -1.26 -1.23 119.74 118.97 1b44 s LYS 23 Ca 0.02 0.76 -0.29 0.00 -1.00 0.00 0.00 55.97 55.45 1b44 s LYS 23 Cb -0.01 -2.13 -0.10 0.00 -2.06 0.00 0.00 37.83 33.53 1b44 s LYS 23 CO -0.11 -0.43 1.24 0.42 0.10 0.00 0.00 175.35 176.56 1b44 s ILE 24 N -2.95 3.08 -0.17 3.79 1.01 -1.26 -4.74 121.20 119.95 1b44 s ILE 24 Ca 0.55 1.04 -0.24 0.00 0.00 0.00 0.00 60.65 62.01 1b44 s ILE 24 Cb -0.11 -3.66 -0.22 0.00 0.01 0.00 0.00 42.46 38.48 1b44 s ILE 24 CO 0.46 0.23 0.45 0.25 0.00 0.00 0.00 174.94 176.33 1b44 h LEU 25 N 3.92 0.04 -7.68 2.97 5.85 -0.77 -3.48 115.31 116.16 1b44 h LEU 25 Ca -0.47 -0.72 -0.24 0.00 0.84 0.00 0.00 57.88 57.28 1b44 h LEU 25 Cb 1.22 -0.01 -0.29 0.00 0.37 0.00 0.00 40.66 41.94 1b44 h LEU 25 CO 0.68 1.33 -0.72 -0.94 -0.34 0.00 0.00 178.44 178.45 1b44 s SER 26 N -6.65 0.01 -0.22 1.25 1.04 -0.94 -4.97 113.70 103.22 1b44 s SER 26 Ca -0.24 0.02 -0.04 0.00 0.48 0.00 0.00 55.95 56.16 1b44 s SER 26 Cb 0.03 -0.01 -0.01 0.00 0.10 0.00 0.00 66.02 66.13 1b44 s SER 26 CO 0.65 -0.03 -0.03 -0.47 0.98 0.00 0.00 173.24 174.34 1b44 s TYR 27 N 0.22 2.98 -0.11 5.02 5.04 -1.26 -2.28 117.35 126.96 1b44 s TYR 27 Ca -0.02 -0.80 0.03 0.00 -2.44 0.00 0.00 57.07 53.84 1b44 s TYR 27 Cb -0.03 -2.11 0.01 0.00 0.35 0.00 0.00 41.96 40.18 1b44 s TYR 27 CO -0.01 -0.47 -0.20 0.99 -1.34 0.00 0.00 175.55 174.52 1b44 s THR 28 N 1.39 1.86 -0.05 4.34 2.01 -0.19 -5.00 115.64 120.01 1b44 s THR 28 Ca 0.05 -0.88 0.02 0.00 0.31 0.00 0.00 61.69 61.18 1b44 s THR 28 Cb -0.14 -1.64 0.02 0.00 0.01 0.00 0.00 72.50 70.74 1b44 s THR 28 CO -0.01 0.51 -0.09 -0.70 -0.69 0.00 0.00 174.62 173.64 1b44 s GLU 29 N 0.66 1.25 -0.04 4.92 2.12 -1.26 -0.62 118.70 125.73 1b44 s GLU 29 Ca -0.12 -0.27 0.05 0.00 0.36 0.00 0.00 54.97 54.99 1b44 s GLU 29 Cb -0.16 -1.11 -0.01 0.00 0.26 0.00 0.00 34.13 33.11 1b44 s GLU 29 CO 0.03 -0.01 -0.18 0.45 -0.54 0.00 0.00 175.26 175.01 1b44 s SER 30 N 0.71 2.28 0.00 -1.70 0.15 -0.51 -4.97 113.70 109.65 1b44 s SER 30 Ca -0.12 -0.37 0.07 0.00 0.70 0.00 0.00 55.95 56.23 1b44 s SER 30 Cb -0.15 -0.54 0.14 0.00 -1.71 0.00 0.00 66.02 63.76 1b44 s SER 30 CO 0.02 0.18 0.97 1.15 1.20 0.00 0.00 173.24 176.77 1b44 n MET 31 N 2.99 1.66 -1.75 5.44 0.00 -1.26 -2.50 117.12 121.69 1b44 n MET 31 Ca -0.17 -1.45 -0.40 0.00 0.00 0.00 0.00 57.70 55.68 1b44 n MET 31 Cb 0.53 -1.16 0.03 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 n ALA 32 N 0.26 1.82 -1.62 3.17 0.00 -1.26 -4.80 120.51 118.07 1b44 n ALA 32 Ca 0.06 0.21 -0.49 0.00 0.00 0.00 0.00 53.44 53.22 1b44 n ALA 32 Cb 0.28 -2.37 -0.05 0.00 0.00 0.00 0.00 19.45 17.31 1b44 n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b44 n GLY 33 N 0.66 0.68 3.82 0.00 0.00 -1.26 -1.38 105.19 107.71 1b44 n GLY 33 Ca 0.07 0.66 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 0.28 0.00 0.00 0.00 173.32 173.60 1b44 n LYS 34 N 2.74 0.00 -2.67 1.61 5.02 -1.26 -4.78 118.16 118.81 1b44 n LYS 34 Ca 0.17 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.29 1b44 n LYS 34 Cb 0.24 -3.73 0.01 0.00 -0.02 0.00 0.00 35.03 31.52 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 -2.00 2.02 -3.00 1.97 5.12 -0.48 -4.96 116.66 115.33 1b44 n ARG 35 Ca 0.00 -3.79 -0.44 0.00 -1.93 0.00 0.00 57.85 51.69 1b44 n ARG 35 Cb 0.00 -1.69 -0.02 0.00 -1.16 0.00 0.00 32.46 29.59 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 -3.21 3.63 0.29 5.56 8.01 -1.18 -4.08 118.70 127.71 1b44 s GLU 36 Ca 0.37 -1.94 -0.00 0.00 0.01 0.00 0.00 54.97 53.41 1b44 s GLU 36 Cb 0.42 -4.83 0.00 0.00 -4.31 0.00 0.00 34.13 25.41 1b44 s GLU 36 CO -0.06 -1.68 0.38 0.00 0.01 0.00 0.00 175.26 173.90 1b44 n MET 37 N 6.01 0.54 -4.32 1.61 0.00 -1.04 -4.29 117.12 115.63 1b44 n MET 37 Ca 0.23 -2.36 -0.18 0.00 0.00 0.00 0.00 57.70 55.38 1b44 n MET 37 Cb 0.48 2.22 -0.15 0.00 0.00 0.00 0.00 33.22 35.77 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 -2.80 0.65 -0.11 3.17 1.01 -1.24 -1.42 120.40 119.66 1b44 s VAL 38 Ca 0.25 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.90 1b44 s VAL 38 Cb -0.00 -0.56 0.02 0.00 0.00 0.00 0.00 36.38 35.84 1b44 s VAL 38 CO 0.18 0.19 -0.10 -0.63 0.00 0.00 0.00 175.10 174.74 1b44 s ILE 39 N -0.08 1.18 -0.01 2.22 1.01 0.21 -1.54 121.20 124.18 1b44 s ILE 39 Ca 0.02 -0.41 0.07 0.00 0.00 0.00 0.00 60.65 60.33 1b44 s ILE 39 Cb -0.04 -1.15 -0.02 0.00 0.01 0.00 0.00 42.46 41.26 1b44 s ILE 39 CO -0.00 0.39 -0.23 0.27 0.00 0.00 0.00 174.94 175.37 1b44 s ILE 40 N 1.45 2.35 0.14 2.92 -4.36 -0.08 -1.02 121.20 122.60 1b44 s ILE 40 Ca 0.01 -1.08 0.04 0.00 -0.26 0.00 0.00 60.65 59.36 1b44 s ILE 40 Cb -0.13 -1.87 -0.04 0.00 1.25 0.00 0.00 42.46 41.66 1b44 s ILE 40 CO -0.06 0.52 -0.10 0.42 0.24 0.00 0.00 174.94 175.96 1b44 s THR 41 N -0.70 1.15 0.33 8.37 -4.23 -0.96 -0.74 115.64 118.85 1b44 s THR 41 Ca 0.11 -2.02 0.07 0.00 -1.18 0.00 0.00 61.69 58.66 1b44 s THR 41 Cb -0.10 -1.80 -0.06 0.00 1.34 0.00 0.00 72.50 71.87 1b44 s THR 41 CO 0.00 -0.73 -0.02 -0.36 -0.54 0.00 0.00 174.62 172.97 1b44 s PHE 42 N -3.25 2.14 -0.64 3.99 0.40 -0.75 -0.01 117.98 119.87 1b44 s PHE 42 Ca 0.16 -0.72 0.16 0.00 -0.60 0.00 0.00 56.93 55.93 1b44 s PHE 42 Cb 0.02 -1.33 0.75 0.00 0.51 0.00 0.00 43.02 42.97 1b44 s PHE 42 CO 0.00 0.30 1.50 0.36 0.70 0.00 0.00 175.22 178.09 1b44 n LYS 43 N -0.72 0.10 0.20 0.44 2.85 -1.26 -1.45 118.16 118.32 1b44 n LYS 43 Ca -0.05 0.45 0.14 0.00 -1.05 0.00 0.00 58.31 57.81 1b44 n LYS 43 Cb 0.65 -1.73 0.54 0.00 -0.65 0.00 0.00 35.03 33.83 1b44 n LYS 43 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1b44 h SER 44 N 0.00 0.00 0.00 -5.58 4.64 -1.98 -3.46 113.55 107.18 1b44 h SER 44 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1b44 h SER 44 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 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 0.26 2.97 3.70 -0.77 0.00 -0.53 -5.07 105.19 105.75 1b44 n GLY 45 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.18 2.24 -2.82 4.61 0.00 -1.26 -4.79 120.51 117.32 1b44 n ALA 46 Ca 0.00 0.41 -0.28 0.00 0.00 0.00 0.00 53.44 53.57 1b44 n ALA 46 Cb 0.00 -2.45 -0.16 0.00 0.00 0.00 0.00 19.45 16.84 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 0.82 1.68 0.14 0.00 2.01 -1.26 -1.80 115.64 117.22 1b44 s THR 47 Ca 0.74 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.89 1b44 s THR 47 Cb -0.56 -1.43 -0.04 0.00 0.01 0.00 0.00 72.50 70.47 1b44 s THR 47 CO 0.38 0.48 -0.01 -0.36 -0.69 0.00 0.00 174.62 174.41 1b44 s PHE 48 N -0.06 1.04 0.12 4.92 0.08 0.08 -3.76 117.98 120.40 1b44 s PHE 48 Ca -0.03 -1.03 -0.03 0.00 0.12 0.00 0.00 56.93 55.96 1b44 s PHE 48 Cb -0.12 -0.60 -0.03 0.00 -0.57 0.00 0.00 43.02 41.70 1b44 s PHE 48 CO 0.03 -0.25 0.10 1.14 -0.10 0.00 0.00 175.22 176.14 1b44 s GLN 49 N -3.91 0.92 -0.61 0.44 -2.07 -0.81 -0.90 119.66 112.71 1b44 s GLN 49 Ca 0.20 -1.32 0.04 0.00 -1.82 0.00 0.00 55.36 52.46 1b44 s GLN 49 Cb 0.06 0.27 0.15 0.00 -1.09 0.00 0.00 33.01 32.40 1b44 s GLN 49 CO 0.01 -0.27 0.38 0.08 -1.32 0.00 0.00 175.29 174.16 1b44 s VAL 50 N -4.00 2.79 0.76 3.63 1.01 -0.59 -0.72 120.40 123.28 1b44 s VAL 50 Ca 0.19 -3.76 -0.17 0.00 0.00 0.00 0.00 61.98 58.25 1b44 s VAL 50 Cb 0.06 -2.88 -0.09 0.00 0.00 0.00 0.00 36.38 33.48 1b44 s VAL 50 CO -0.01 -0.90 0.03 -1.84 0.00 0.00 0.00 175.10 172.38 1b44 n GLU 51 N 2.59 0.10 -1.94 2.72 0.28 -1.26 -3.68 120.64 119.45 1b44 n GLU 51 Ca 0.12 0.05 -0.42 0.00 -0.16 0.00 0.00 57.16 56.76 1b44 n GLU 51 Cb 0.34 -1.42 -0.02 0.00 1.43 0.00 0.00 31.44 31.76 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 2.51 0.08 3.84 1.01 -1.26 -4.93 120.40 119.65 1b44 s VAL 52 Ca 0.56 0.41 -0.31 0.00 0.00 0.00 0.00 61.98 62.65 1b44 s VAL 52 Cb -0.33 -3.26 -0.10 0.00 0.00 0.00 0.00 36.38 32.69 1b44 s VAL 52 CO 0.67 0.05 1.90 -2.65 0.00 0.00 0.00 175.10 175.08 1b44 n PRO 53 N 2.83 2.82 0.00 2.72 -0.02 -1.26 -4.91 135.00 137.17 1b44 n PRO 53 Ca 0.09 1.03 0.00 0.00 -2.02 0.00 0.00 63.50 62.60 1b44 n PRO 53 Cb 0.39 -2.95 0.00 0.00 -0.02 0.00 0.00 33.50 30.92 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 4.39 4.46 0.24 -1.23 0.00 -1.26 -5.05 105.19 106.73 1b44 n GLY 54 Ca 0.19 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.62 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 0.86 0.00 1.61 0.02 -2.03 -3.12 113.55 110.90 1b44 h SER 55 Ca 0.00 -0.42 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1b44 h SER 55 Cb 0.00 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.30 1b44 h SER 55 CO 0.00 1.10 0.05 0.06 -1.14 0.00 0.00 176.83 176.90 1b44 h GLN 56 N 0.64 0.00 -5.88 3.45 -0.00 -1.97 -3.41 115.11 107.93 1b44 h GLN 56 Ca 0.08 0.00 -0.66 0.00 -0.00 0.00 0.00 58.65 58.07 1b44 h GLN 56 Cb 0.79 0.00 -0.09 0.00 -0.00 0.00 0.00 27.48 28.17 1b44 h GLN 56 CO 0.06 0.00 -0.55 -1.01 -0.00 0.00 0.00 178.83 177.34 1b44 s HIS 57 N -3.69 3.38 0.25 0.06 3.76 -1.18 -5.11 115.29 112.76 1b44 s HIS 57 Ca -0.03 0.30 0.03 0.00 -0.15 0.00 0.00 55.06 55.22 1b44 s HIS 57 Cb 0.08 -1.81 -0.03 0.00 1.11 0.00 0.00 32.58 31.93 1b44 s HIS 57 CO 0.24 0.60 0.40 0.96 -0.85 0.00 0.00 174.74 176.09 1b44 s ILE 58 N -1.12 5.23 0.61 0.60 -4.36 -1.26 -4.85 121.20 116.04 1b44 s ILE 58 Ca 0.20 -0.80 0.28 0.00 -0.26 0.00 0.00 60.65 60.06 1b44 s ILE 58 Cb -0.12 -3.84 0.35 0.00 1.25 0.00 0.00 42.46 40.10 1b44 s ILE 58 CO 0.10 -0.35 1.81 0.44 0.24 0.00 0.00 174.94 177.18 1b44 h ASP 59 N 1.21 0.00 0.53 4.36 3.32 -1.97 -0.06 116.42 123.81 1b44 h ASP 59 Ca -0.51 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.51 1b44 h ASP 59 Cb 1.22 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.78 1b44 h ASP 59 CO 0.62 0.00 -0.25 -1.28 -1.72 0.00 0.00 179.24 176.61 1b44 h SER 60 N 0.00 -0.60 -0.01 6.45 0.87 -2.04 -3.23 113.55 114.99 1b44 h SER 60 Ca 0.19 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1b44 h SER 60 Cb 1.27 0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 63.39 1b44 h SER 60 CO -0.00 -0.24 0.12 1.56 -0.53 0.00 0.00 176.83 177.74 1b44 h GLN 61 N -1.02 0.00 -0.91 2.24 4.20 -1.39 -3.32 115.11 114.91 1b44 h GLN 61 Ca -0.07 0.00 0.13 0.00 0.06 0.00 0.00 58.65 58.77 1b44 h GLN 61 Cb 0.62 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 28.26 1b44 h GLN 61 CO 0.12 0.00 -0.43 -0.22 -0.67 0.00 0.00 178.83 177.63 1b44 h LYS 62 N 0.00 -0.04 -0.01 1.46 3.64 -1.56 -0.01 116.57 120.04 1b44 h LYS 62 Ca 0.00 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.16 1b44 h LYS 62 Cb 0.24 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1b44 h LYS 62 CO -0.00 -0.03 -0.92 0.87 -2.27 0.00 0.00 179.45 177.10 1b44 h LYS 63 N -0.04 0.45 0.00 1.90 1.57 -1.82 -3.15 116.57 115.47 1b44 h LYS 63 Ca 0.28 -0.46 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 1b44 h LYS 63 Cb 0.56 0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.99 1b44 h LYS 63 CO -0.92 1.11 -0.03 0.00 -0.57 0.00 0.00 179.45 179.04 1b44 h ALA 64 N 0.73 1.62 0.01 3.86 0.00 -1.46 0.11 119.26 124.13 1b44 h ALA 64 Ca -0.08 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1b44 h ALA 64 Cb 1.55 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1b44 h ALA 64 CO 0.16 0.04 -0.01 0.82 0.00 0.00 0.00 179.25 180.27 1b44 h ILE 65 N 0.00 1.42 -0.75 0.00 2.04 -1.00 -1.72 117.51 117.50 1b44 h ILE 65 Ca -0.00 -1.31 -0.01 0.00 1.00 0.00 0.00 64.86 64.54 1b44 h ILE 65 Cb 0.07 2.30 -0.04 0.00 -0.74 0.00 0.00 36.82 38.42 1b44 h ILE 65 CO 0.00 0.34 0.42 -0.33 0.00 0.00 0.00 178.15 178.58 1b44 h GLU 66 N -0.58 1.03 -0.38 2.37 4.39 -1.33 -1.77 114.58 118.31 1b44 h GLU 66 Ca -0.00 -0.11 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 1b44 h GLU 66 Cb 0.56 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 1b44 h GLU 66 CO 0.00 0.75 0.17 -0.09 -1.16 0.00 0.00 179.01 178.68 1b44 h ARG 67 N 1.04 0.55 -0.23 2.33 2.43 -0.80 -0.62 114.38 119.09 1b44 h ARG 67 Ca 0.27 -0.09 0.02 0.00 -0.81 0.00 0.00 59.98 59.37 1b44 h ARG 67 Cb 0.01 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 1b44 h ARG 67 CO -0.05 0.52 0.08 1.98 -1.51 0.00 0.00 179.97 180.99 1b44 h MET 68 N 0.47 0.19 -0.50 0.20 4.05 -0.75 0.12 114.93 118.71 1b44 h MET 68 Ca 0.13 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.52 1b44 h MET 68 Cb 0.16 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 30.89 1b44 h MET 68 CO -0.01 0.12 0.25 0.87 0.23 0.00 0.00 176.91 178.37 1b44 h LYS 69 N 0.19 0.70 -0.08 0.39 1.57 -1.12 0.70 116.57 118.92 1b44 h LYS 69 Ca 0.10 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1b44 h LYS 69 Cb 0.06 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 1b44 h LYS 69 CO -0.09 0.54 0.03 -0.44 -0.57 0.00 0.00 179.45 178.91 1b44 h ASP 70 N 0.70 0.12 -0.60 0.86 3.32 -0.19 -2.08 116.42 118.55 1b44 h ASP 70 Ca 0.18 -0.20 0.02 0.00 0.02 0.00 0.00 57.03 57.04 1b44 h ASP 70 Cb 0.06 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 1b44 h ASP 70 CO -0.03 0.29 0.38 0.74 -1.72 0.00 0.00 179.24 178.91 1b44 h THR 71 N -0.06 1.11 -0.83 0.35 2.02 0.02 -1.94 112.91 113.58 1b44 h THR 71 Ca 0.03 -0.26 -0.04 0.00 0.77 0.00 0.00 66.41 66.91 1b44 h THR 71 Cb 0.22 0.27 -0.04 0.00 -1.74 0.00 0.00 68.15 66.86 1b44 h THR 71 CO -0.00 0.14 0.37 -0.07 0.37 0.00 0.00 175.52 176.33 1b44 h LEU 72 N 0.77 1.11 0.01 2.58 3.38 -0.77 0.59 115.31 122.98 1b44 h LEU 72 Ca 0.23 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1b44 h LEU 72 Cb -0.03 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.43 1b44 h LEU 72 CO -0.08 0.95 -0.00 -0.09 0.09 0.00 0.00 178.44 179.31 1b44 h ARG 73 N 1.19 -0.01 -0.48 1.13 2.43 -0.81 -1.10 114.38 116.73 1b44 h ARG 73 Ca 0.28 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.37 1b44 h ARG 73 Cb 0.16 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 1b44 h ARG 73 CO -0.03 0.24 -0.05 0.97 -1.51 0.00 0.00 179.97 179.59 1b44 h ILE 74 N -0.26 1.25 -0.92 1.20 6.09 -1.27 -0.95 117.51 122.65 1b44 h ILE 74 Ca -0.00 -1.10 0.00 0.00 -1.37 0.00 0.00 64.86 62.40 1b44 h ILE 74 Cb 0.26 0.94 -0.05 0.00 0.47 0.00 0.00 36.82 38.44 1b44 h ILE 74 CO 0.00 0.38 0.60 0.74 -3.07 0.00 0.00 178.15 176.80 1b44 h THR 75 N 0.76 1.24 0.32 2.19 2.02 -0.74 0.49 112.91 119.19 1b44 h THR 75 Ca 0.14 -0.47 -0.02 0.00 0.77 0.00 0.00 66.41 66.83 1b44 h THR 75 Cb 0.53 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.84 1b44 h THR 75 CO 0.03 0.24 -0.15 0.22 0.37 0.00 0.00 175.52 176.22 1b44 h TYR 76 N 1.26 -0.40 -0.98 3.16 3.20 -0.72 -1.25 116.97 121.24 1b44 h TYR 76 Ca 0.34 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.29 1b44 h TYR 76 Cb -0.12 0.13 -0.07 0.00 1.54 0.00 0.00 36.73 38.21 1b44 h TYR 76 CO 0.00 -0.07 0.63 -0.07 -1.64 0.00 0.00 178.16 177.01 1b44 h LEU 77 N -0.79 0.94 -0.86 2.82 3.38 -0.81 -0.35 115.31 119.64 1b44 h LEU 77 Ca -0.04 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1b44 h LEU 77 Cb 0.51 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1b44 h LEU 77 CO 0.07 0.55 0.00 0.35 0.09 0.00 0.00 178.44 179.50 1b44 n THR 78 N -4.55 0.08 -2.73 0.22 -2.24 0.13 -4.92 114.28 100.26 1b44 n THR 78 Ca 0.17 -0.25 -0.18 0.00 -2.27 0.00 0.00 64.05 61.52 1b44 n THR 78 Cb 0.28 0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 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 0.05 -2.89 -2.33 -0.78 1.02 -0.14 -4.94 120.64 110.63 1b44 n GLU 79 Ca 0.18 0.72 -0.40 0.00 -0.02 0.00 0.00 57.16 57.65 1b44 n GLU 79 Cb 0.30 -5.41 -0.03 0.00 -0.02 0.00 0.00 31.44 26.28 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 -2.88 3.19 -0.18 2.62 2.01 -0.52 -4.85 115.64 115.03 1b44 s THR 80 Ca 0.14 1.13 -0.27 0.00 0.31 0.00 0.00 61.69 63.01 1b44 s THR 80 Cb -0.07 -3.70 -0.01 0.00 0.01 0.00 0.00 72.50 68.74 1b44 s THR 80 CO 0.17 0.22 0.91 -0.75 -0.69 0.00 0.00 174.62 174.49 1b44 s LYS 81 N -1.81 4.29 -0.09 4.92 2.20 -1.26 -4.28 119.74 123.71 1b44 s LYS 81 Ca 0.49 1.16 -0.23 0.00 -0.36 0.00 0.00 55.97 57.04 1b44 s LYS 81 Cb -0.33 -3.60 -0.03 0.00 -1.51 0.00 0.00 37.83 32.35 1b44 s LYS 81 CO 0.43 -0.43 0.67 0.42 -0.36 0.00 0.00 175.35 176.08 1b44 s ILE 82 N 2.50 5.05 0.00 5.43 1.01 -0.36 -4.36 121.20 130.47 1b44 s ILE 82 Ca 0.41 1.36 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 38.30 1b44 s ILE 82 CO 0.11 0.23 0.00 -0.67 0.00 0.00 0.00 174.94 174.61 1b44 n ASP 83 N 4.00 0.00 -4.43 3.58 2.03 -0.19 -0.41 116.55 121.13 1b44 n ASP 83 Ca -0.02 0.44 -0.21 0.00 0.52 0.00 0.00 54.79 55.52 1b44 n ASP 83 Cb 0.51 -0.44 -0.10 0.00 -0.72 0.00 0.00 41.12 40.37 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 -0.88 1.58 -0.07 -0.67 1.02 -1.16 0.20 119.74 119.76 1b44 s LYS 84 Ca 0.00 -1.84 -0.03 0.00 0.02 0.00 0.00 55.97 54.13 1b44 s LYS 84 Cb 0.00 -0.99 0.04 0.00 -0.52 0.00 0.00 37.83 36.36 1b44 s LYS 84 CO 0.00 -0.08 0.12 -0.51 -0.92 0.00 0.00 175.35 173.96 1b44 s LEU 85 N -3.45 0.08 -0.37 3.17 1.43 -0.71 -2.01 118.68 116.82 1b44 s LEU 85 Ca 0.32 0.23 -0.19 0.00 -1.03 0.00 0.00 54.13 53.47 1b44 s LEU 85 Cb 0.06 0.12 0.00 0.00 0.03 0.00 0.00 46.19 46.41 1b44 s LEU 85 CO 0.13 -0.24 0.55 0.00 0.23 0.00 0.00 176.35 177.02 1b44 s VAL 87 N 2.49 1.32 -0.42 0.00 -7.23 -0.53 0.21 120.40 116.24 1b44 s VAL 87 Ca 0.20 -1.87 -0.23 0.00 -1.81 0.00 0.00 61.98 58.27 1b44 s VAL 87 Cb -0.15 -1.67 0.02 0.00 0.56 0.00 0.00 36.38 35.14 1b44 s VAL 87 CO 0.14 -0.53 0.76 0.26 -0.31 0.00 0.00 175.10 175.43 1b44 s TRP 88 N -2.57 3.03 -1.99 2.82 0.51 0.49 -0.46 118.94 120.78 1b44 s TRP 88 Ca 0.12 0.24 0.31 0.00 -2.12 0.00 0.00 56.10 54.66 1b44 s TRP 88 Cb -0.02 -3.55 1.70 0.00 -0.81 0.00 0.00 33.47 30.79 1b44 s TRP 88 CO 0.03 -0.90 2.12 0.27 -0.51 0.00 0.00 176.95 177.95 1b44 n ASN 89 N 6.58 0.24 -0.94 2.95 0.23 -0.33 -2.53 115.26 121.47 1b44 n ASN 89 Ca 0.02 -0.95 0.04 0.00 -0.53 0.00 0.00 54.58 53.15 1b44 n ASN 89 Cb 0.48 -0.03 0.16 0.00 -2.08 0.00 0.00 39.78 38.31 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 -0.86 2.61 -4.19 0.53 6.94 -1.26 -4.85 115.26 114.18 1b44 n ASN 90 Ca 0.22 -2.28 -0.14 0.00 -0.02 0.00 0.00 54.58 52.36 1b44 n ASN 90 Cb 0.17 -0.47 -0.11 0.00 -2.36 0.00 0.00 39.78 37.02 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 -1.70 0.89 -0.15 -3.83 -0.14 -1.24 -5.09 119.74 108.49 1b44 s LYS 91 Ca 0.23 -1.23 -0.01 0.00 -1.36 0.00 0.00 55.97 53.60 1b44 s LYS 91 Cb 0.16 -0.54 0.04 0.00 -1.68 0.00 0.00 37.83 35.80 1b44 s LYS 91 CO 0.09 0.08 -0.04 0.99 -0.76 0.00 0.00 175.35 175.70 1b44 s THR 92 N -2.68 0.96 1.08 2.17 2.01 -1.26 -2.80 115.64 115.13 1b44 s THR 92 Ca 0.08 -0.47 -0.17 0.00 0.31 0.00 0.00 61.69 61.44 1b44 s THR 92 Cb -0.01 -1.13 0.24 0.00 0.01 0.00 0.00 72.50 71.60 1b44 s THR 92 CO -0.00 0.16 1.18 -2.16 -0.69 0.00 0.00 174.62 173.11 1b44 s PRO 93 N 1.70 -0.27 0.06 4.92 0.04 -1.26 -5.04 135.00 135.15 1b44 s PRO 93 Ca 0.02 -0.10 -0.32 0.00 0.04 0.00 0.00 61.00 60.64 1b44 s PRO 93 Cb -0.15 -1.71 -0.11 0.00 0.04 0.00 0.00 34.50 32.58 1b44 s PRO 93 CO -0.08 -3.08 1.86 0.09 0.04 0.00 0.00 177.00 175.84 1b44 n ASN 94 N -4.30 3.88 -4.73 6.66 5.03 -1.12 -4.62 115.26 116.05 1b44 n ASN 94 Ca 0.13 0.97 -0.41 0.00 0.87 0.00 0.00 54.58 56.13 1b44 n ASN 94 Cb 0.59 -1.50 -0.04 0.00 -1.02 0.00 0.00 39.78 37.81 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 3.30 7.37 0.08 6.41 0.15 -1.05 -1.93 113.70 128.03 1b44 s SER 95 Ca 0.86 1.96 -0.30 0.00 0.70 0.00 0.00 55.95 59.17 1b44 s SER 95 Cb -0.53 -2.60 -0.05 0.00 -1.71 0.00 0.00 66.02 61.13 1b44 s SER 95 CO 0.41 -0.15 1.02 -0.63 1.20 0.00 0.00 173.24 175.10 1b44 s ILE 96 N -0.13 4.45 -0.07 6.45 1.01 0.10 -0.38 121.20 132.63 1b44 s ILE 96 Ca 0.48 1.91 0.03 0.00 0.00 0.00 0.00 60.65 63.07 1b44 s ILE 96 Cb -0.27 -4.22 -0.07 0.00 0.01 0.00 0.00 42.46 37.92 1b44 s ILE 96 CO 0.32 0.23 -0.02 0.00 0.00 0.00 0.00 174.94 175.48 1b44 n ALA 97 N 3.24 1.84 -3.10 9.38 0.00 0.13 -4.90 120.51 127.10 1b44 n ALA 97 Ca 0.04 -0.38 -0.10 0.00 0.00 0.00 0.00 53.44 53.00 1b44 n ALA 97 Cb 0.49 0.21 -0.04 0.00 0.00 0.00 0.00 19.45 20.11 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 -2.15 -0.96 -0.05 0.00 0.00 -0.47 -4.97 121.76 113.16 1b44 s ALA 98 Ca -0.07 -0.07 -0.08 0.00 0.00 0.00 0.00 51.96 51.74 1b44 s ALA 98 Cb 0.02 0.76 0.02 0.00 0.00 0.00 0.00 23.12 23.92 1b44 s ALA 98 CO 0.22 -0.70 0.20 -1.50 0.00 0.00 0.00 175.76 173.99 1b44 s ILE 99 N -3.82 0.03 0.04 0.00 2.07 -1.26 -1.47 121.20 116.79 1b44 s ILE 99 Ca 0.05 -0.22 0.04 0.00 -1.41 0.00 0.00 60.65 59.11 1b44 s ILE 99 Cb 0.01 -0.36 -0.02 0.00 0.13 0.00 0.00 42.46 42.21 1b44 s ILE 99 CO -0.09 -0.12 -0.11 -0.94 -1.91 0.00 0.00 174.94 171.77 1b44 s SER 100 N -0.39 1.30 -0.03 4.50 1.04 -0.85 -5.02 113.70 114.25 1b44 s SER 100 Ca -0.05 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 55.89 1b44 s SER 100 Cb -0.03 -0.04 0.03 0.00 0.10 0.00 0.00 66.02 66.07 1b44 s SER 100 CO 0.01 -0.07 0.01 -0.04 0.98 0.00 0.00 173.24 174.12 1b44 s MET 101 N -1.34 0.30 -0.04 4.02 -1.94 -1.26 -1.02 119.30 118.02 1b44 s MET 101 Ca -0.03 0.10 -0.01 0.00 -1.71 0.00 0.00 55.69 54.05 1b44 s MET 101 Cb -0.09 -0.53 -0.04 0.00 2.01 0.00 0.00 34.83 36.19 1b44 s MET 101 CO 0.01 -0.17 0.02 -1.21 -0.01 0.00 0.00 175.02 173.67 1b44 s GLU 102 N 1.20 2.95 0.00 2.03 2.02 -1.26 -4.90 118.70 120.74 1b44 s GLU 102 Ca -0.07 -0.49 0.00 0.00 0.02 0.00 0.00 54.97 54.43 1b44 s GLU 102 Cb -0.13 -2.78 0.00 0.00 0.10 0.00 0.00 34.13 31.32 1b44 s GLU 102 CO -0.02 0.67 0.00 1.17 0.02 0.00 0.00 175.26 177.09 1b44 n LYS 103 N 1.66 2.85 -0.73 1.61 3.00 -1.26 -4.24 118.16 121.04 1b44 n LYS 103 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.15 1b44 n LYS 103 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.56 1b44 n LYS 103 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 1b44 n LEU 104 N 0.00 0.91 0.00 3.14 -0.00 -1.26 -4.30 117.00 115.49 1b44 n LEU 104 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1b44 n LEU 104 Cb 0.00 -1.95 0.00 0.00 -0.00 0.00 0.00 43.42 41.47 1b44 n LEU 104 CO 0.00 -0.73 0.00 0.00 -0.00 0.00 0.00 177.39 176.66 1b44 n ALA 105 N 0.94 0.00 -0.71 1.47 0.00 -1.26 -5.31 120.51 115.64 1b44 n ALA 105 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1b44 n ALA 105 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.73 1b44 n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91