#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 -4.93 135.00 131.60 1b44 s PRO 2 Ca 0.00 1.98 0.16 0.00 0.04 0.00 0.00 61.00 63.18 1b44 s PRO 2 Cb 0.00 -1.89 0.33 0.00 0.04 0.00 0.00 34.50 32.98 1b44 s PRO 2 CO 0.00 -1.42 1.24 1.04 0.04 0.00 0.00 177.00 177.90 1b44 n GLN 3 N -1.74 2.23 -3.63 4.56 6.02 -1.26 -4.98 117.38 118.58 1b44 n GLN 3 Ca 0.15 -2.00 -0.13 0.00 -0.01 0.00 0.00 57.00 55.01 1b44 n GLN 3 Cb 0.49 -1.37 -0.06 0.00 1.02 0.00 0.00 30.24 30.32 1b44 n GLN 3 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1b44 s SER 4 N -1.15 -0.32 0.22 1.08 0.01 -1.26 -5.03 113.70 107.25 1b44 s SER 4 Ca 0.29 -0.01 -0.05 0.00 1.31 0.00 0.00 55.95 57.49 1b44 s SER 4 Cb 0.16 0.45 0.19 0.00 0.21 0.00 0.00 66.02 67.04 1b44 s SER 4 CO 0.22 -0.72 1.66 -0.29 0.41 0.00 0.00 173.24 174.52 1b44 h ILE 5 N 2.82 1.26 -0.76 1.44 2.10 -1.96 -0.68 117.51 121.74 1b44 h ILE 5 Ca -0.32 -1.24 -0.04 0.00 1.08 0.00 0.00 64.86 64.35 1b44 h ILE 5 Cb 1.22 1.07 -0.03 0.00 -1.09 0.00 0.00 36.82 37.98 1b44 h ILE 5 CO 0.43 0.42 0.33 0.71 -1.08 0.00 0.00 178.15 178.96 1b44 h THR 6 N 0.75 1.25 -0.30 2.19 1.35 -1.99 0.14 112.91 116.30 1b44 h THR 6 Ca 0.12 -0.76 -0.14 0.00 -0.55 0.00 0.00 66.41 65.08 1b44 h THR 6 Cb 0.65 0.34 -0.01 0.00 -1.73 0.00 0.00 68.15 67.40 1b44 h THR 6 CO 0.05 0.31 -0.39 -0.08 -0.25 0.00 0.00 175.52 175.16 1b44 h GLU 7 N 1.08 0.71 -0.24 4.72 4.81 -1.89 -2.77 114.58 121.00 1b44 h GLU 7 Ca 0.26 -0.36 -0.15 0.00 -0.13 0.00 0.00 59.36 58.97 1b44 h GLU 7 Cb 0.18 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1b44 h GLU 7 CO -0.03 0.97 -0.48 1.25 -0.73 0.00 0.00 179.01 180.00 1b44 h LEU 8 N 0.58 0.69 -1.65 1.64 6.46 -0.64 -2.79 115.31 119.61 1b44 h LEU 8 Ca 0.05 -0.34 -0.04 0.00 -0.12 0.00 0.00 57.88 57.42 1b44 h LEU 8 Cb 0.92 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.65 1b44 h LEU 8 CO 0.08 1.06 -0.20 0.00 -0.62 0.00 0.00 178.44 178.76 1b44 h SER 10 N 0.00 0.00 -0.03 0.00 0.02 -1.21 -2.92 113.55 109.41 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 0.42 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.96 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 1.29 -4.29 3.45 1.02 -0.73 -4.89 120.64 113.75 1b44 n GLU 11 Ca 0.01 -0.43 -0.20 0.00 -0.02 0.00 0.00 57.16 56.52 1b44 n GLU 11 Cb 0.26 -1.44 -0.11 0.00 -0.02 0.00 0.00 31.44 30.13 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 -1.97 1.62 0.11 -0.32 1.51 -1.10 -5.13 117.35 112.06 1b44 s TYR 12 Ca 0.39 -0.52 -0.14 0.00 -1.01 0.00 0.00 57.07 55.79 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 0.31 0.24 0.51 -1.01 -1.11 0.00 0.00 175.55 174.50 1b44 s HIS 13 N -2.14 3.64 -0.21 2.71 3.76 -1.26 -4.06 115.29 117.73 1b44 s HIS 13 Ca 0.13 1.03 0.00 0.00 -0.15 0.00 0.00 55.06 56.07 1b44 s HIS 13 Cb -0.05 -2.34 0.00 0.00 1.11 0.00 0.00 32.58 31.30 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 1.02 -3.98 -4.98 1.40 5.03 -1.26 -5.02 115.26 107.47 1b44 n ASN 14 Ca -0.07 0.05 -0.19 0.00 0.87 0.00 0.00 54.58 55.24 1b44 n ASN 14 Cb 0.52 -1.65 -0.01 0.00 -1.02 0.00 0.00 39.78 37.62 1b44 n ASN 14 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1b44 s THR 15 N -1.83 4.14 -0.24 3.41 -4.23 -1.26 -1.45 115.64 114.18 1b44 s THR 15 Ca 0.00 -1.01 -0.26 0.00 -1.18 0.00 0.00 61.69 59.24 1b44 s THR 15 Cb 0.00 -3.43 0.09 0.00 1.34 0.00 0.00 72.50 70.50 1b44 s THR 15 CO 0.00 -0.17 0.83 -1.58 -0.54 0.00 0.00 174.62 173.16 1b44 s GLN 16 N -4.15 0.75 -0.06 3.99 0.74 0.74 -4.84 119.66 116.83 1b44 s GLN 16 Ca 0.44 0.73 -0.20 0.00 0.05 0.00 0.00 55.36 56.38 1b44 s GLN 16 Cb -0.09 0.36 -0.05 0.00 1.10 0.00 0.00 33.01 34.33 1b44 s GLN 16 CO 0.31 -0.12 0.58 0.42 -0.55 0.00 0.00 175.29 175.93 1b44 s ILE 17 N 0.05 5.04 -0.24 -2.34 -1.09 -1.26 -1.46 121.20 119.89 1b44 s ILE 17 Ca -0.00 1.20 0.01 0.00 -2.23 0.00 0.00 60.65 59.63 1b44 s ILE 17 Cb -0.04 -3.92 0.06 0.00 -1.58 0.00 0.00 42.46 36.98 1b44 s ILE 17 CO -0.00 0.35 -0.07 -0.31 -1.23 0.00 0.00 174.94 173.68 1b44 s TYR 18 N 0.33 2.67 -0.61 3.97 2.02 -0.50 -4.97 117.35 120.27 1b44 s TYR 18 Ca 0.31 -1.94 -0.27 0.00 -0.37 0.00 0.00 57.07 54.80 1b44 s TYR 18 Cb -0.17 -1.70 -0.01 0.00 -0.40 0.00 0.00 41.96 39.68 1b44 s TYR 18 CO 0.15 -0.81 1.70 0.99 -1.57 0.00 0.00 175.55 176.02 1b44 s THR 19 N 1.30 3.48 -0.12 -0.71 2.01 -1.26 -1.71 115.64 118.62 1b44 s THR 19 Ca -0.07 0.32 -0.20 0.00 0.31 0.00 0.00 61.69 62.05 1b44 s THR 19 Cb -0.19 -4.15 -0.18 0.00 0.01 0.00 0.00 72.50 68.00 1b44 s THR 19 CO -0.06 -1.07 0.58 0.40 -0.69 0.00 0.00 174.62 173.78 1b44 h ILE 20 N 6.67 1.21 -6.87 1.82 1.08 -0.56 -3.49 117.51 117.38 1b44 h ILE 20 Ca -0.27 -1.84 -0.57 0.00 -0.39 0.00 0.00 64.86 61.79 1b44 h ILE 20 Cb 1.14 2.26 -0.18 0.00 -3.07 0.00 0.00 36.82 36.96 1b44 h ILE 20 CO 1.21 0.40 -0.92 -3.20 -0.69 0.00 0.00 178.15 174.95 1b44 n ASN 21 N -4.69 -0.45 -3.43 1.72 5.15 0.28 -4.93 115.26 108.91 1b44 n ASN 21 Ca -0.07 -1.15 -0.12 0.00 -0.60 0.00 0.00 54.58 52.64 1b44 n ASN 21 Cb 0.32 -2.23 -0.02 0.00 -0.53 0.00 0.00 39.78 37.32 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 -4.07 -0.55 0.55 1.20 2.15 -0.82 -4.93 116.67 110.20 1b44 s ASP 22 Ca 0.22 -0.00 -0.11 0.00 0.43 0.00 0.00 52.55 53.09 1b44 s ASP 22 Cb -0.13 0.58 -0.05 0.00 -0.30 0.00 0.00 42.92 43.03 1b44 s ASP 22 CO 0.96 -0.94 0.95 -1.59 -0.17 0.00 0.00 175.17 174.37 1b44 s LYS 23 N -3.70 3.68 0.26 4.34 -2.85 -1.26 -1.25 119.74 118.96 1b44 s LYS 23 Ca 0.01 0.66 -0.30 0.00 -1.00 0.00 0.00 55.97 55.35 1b44 s LYS 23 Cb -0.01 -2.18 -0.10 0.00 -2.06 0.00 0.00 37.83 33.48 1b44 s LYS 23 CO -0.13 -0.39 1.33 0.42 0.10 0.00 0.00 175.35 176.69 1b44 s ILE 24 N -2.90 2.93 -0.15 3.79 1.01 -1.26 -4.74 121.20 119.88 1b44 s ILE 24 Ca 0.54 0.82 -0.22 0.00 0.00 0.00 0.00 60.65 61.79 1b44 s ILE 24 Cb -0.11 -3.52 -0.24 0.00 0.01 0.00 0.00 42.46 38.60 1b44 s ILE 24 CO 0.45 0.15 0.50 0.25 0.00 0.00 0.00 174.94 176.30 1b44 h LEU 25 N 4.61 0.15 -7.62 2.97 5.85 -0.86 -3.48 115.31 116.92 1b44 h LEU 25 Ca -0.46 -0.77 -0.23 0.00 0.84 0.00 0.00 57.88 57.25 1b44 h LEU 25 Cb 1.22 -0.05 -0.29 0.00 0.37 0.00 0.00 40.66 41.91 1b44 h LEU 25 CO 0.73 1.40 -0.65 -0.94 -0.34 0.00 0.00 178.44 178.64 1b44 s SER 26 N -6.75 -0.05 -0.20 1.25 1.04 -0.97 -4.97 113.70 103.05 1b44 s SER 26 Ca -0.23 0.13 -0.03 0.00 0.48 0.00 0.00 55.95 56.30 1b44 s SER 26 Cb 0.03 0.10 -0.01 0.00 0.10 0.00 0.00 66.02 66.24 1b44 s SER 26 CO 0.69 -0.05 -0.05 -0.47 0.98 0.00 0.00 173.24 174.33 1b44 s TYR 27 N 0.31 2.95 -0.09 5.02 5.04 -1.26 -2.28 117.35 127.03 1b44 s TYR 27 Ca -0.02 -0.81 0.03 0.00 -2.44 0.00 0.00 57.07 53.83 1b44 s TYR 27 Cb -0.03 -2.05 0.01 0.00 0.35 0.00 0.00 41.96 40.23 1b44 s TYR 27 CO -0.01 -0.43 -0.20 0.99 -1.34 0.00 0.00 175.55 174.56 1b44 s THR 28 N 1.18 1.76 -0.05 4.34 2.01 -0.33 -4.99 115.64 119.55 1b44 s THR 28 Ca 0.02 -0.84 0.02 0.00 0.31 0.00 0.00 61.69 61.20 1b44 s THR 28 Cb -0.14 -1.54 0.02 0.00 0.01 0.00 0.00 72.50 70.84 1b44 s THR 28 CO -0.01 0.49 -0.08 -0.70 -0.69 0.00 0.00 174.62 173.63 1b44 s GLU 29 N 0.50 1.17 -0.02 4.92 2.12 -1.26 -0.84 118.70 125.28 1b44 s GLU 29 Ca -0.16 -0.25 0.06 0.00 0.36 0.00 0.00 54.97 54.98 1b44 s GLU 29 Cb -0.17 -1.05 -0.01 0.00 0.26 0.00 0.00 34.13 33.16 1b44 s GLU 29 CO 0.06 -0.01 -0.19 0.45 -0.54 0.00 0.00 175.26 175.03 1b44 s SER 30 N 0.71 2.27 0.00 -1.70 0.15 -0.58 -4.97 113.70 109.58 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 -0.35 0.08 0.00 -1.71 0.00 0.00 66.02 63.90 1b44 s SER 30 CO 0.02 0.22 0.93 1.15 1.20 0.00 0.00 173.24 176.75 1b44 n MET 31 N 2.74 1.76 -1.77 5.44 0.00 -1.26 -2.66 117.12 121.36 1b44 n MET 31 Ca -0.16 -1.36 -0.40 0.00 0.00 0.00 0.00 57.70 55.78 1b44 n MET 31 Cb 0.53 -1.09 0.01 0.00 0.00 0.00 0.00 33.22 32.67 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 -0.01 2.22 -1.57 3.17 0.00 -1.26 -4.77 120.51 118.29 1b44 n ALA 32 Ca 0.03 0.29 -0.51 0.00 0.00 0.00 0.00 53.44 53.26 1b44 n ALA 32 Cb 0.24 -2.41 -0.05 0.00 0.00 0.00 0.00 19.45 17.23 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 0.51 0.11 3.86 0.00 0.00 -1.26 -1.07 105.19 107.34 1b44 n GLY 33 Ca 0.03 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.65 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 1.96 0.00 -3.11 1.61 4.76 -1.26 -4.82 118.16 117.30 1b44 n LYS 34 Ca 0.17 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.40 1b44 n LYS 34 Cb 0.22 -2.77 -0.04 0.00 -1.84 0.00 0.00 35.03 30.59 1b44 n LYS 34 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1b44 n ARG 35 N -2.00 0.75 -2.89 1.97 3.00 -0.24 -4.95 116.66 112.30 1b44 n ARG 35 Ca 0.00 -2.98 -0.43 0.00 -0.01 0.00 0.00 57.85 54.43 1b44 n ARG 35 Cb 0.00 -1.29 0.01 0.00 0.00 0.00 0.00 32.46 31.18 1b44 n ARG 35 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1b44 n GLU 36 N 1.32 4.18 -3.77 5.56 4.71 -1.20 -4.07 120.64 127.37 1b44 n GLU 36 Ca 0.19 -4.31 -0.22 0.00 -0.01 0.00 0.00 57.16 52.82 1b44 n GLU 36 Cb 0.56 -2.62 -0.04 0.00 -1.01 0.00 0.00 31.44 28.33 1b44 n GLU 36 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1b44 n MET 37 N 2.13 1.17 -4.27 3.49 0.00 -1.09 -4.73 117.12 113.81 1b44 n MET 37 Ca 0.29 -2.48 -0.18 0.00 0.00 0.00 0.00 57.70 55.33 1b44 n MET 37 Cb 0.35 0.65 -0.15 0.00 0.00 0.00 0.00 33.22 34.06 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 -2.22 0.60 -0.12 3.17 1.01 -1.24 -1.52 120.40 120.08 1b44 s VAL 38 Ca 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.70 1b44 s VAL 38 Cb -0.00 -0.53 0.02 0.00 0.00 0.00 0.00 36.38 35.87 1b44 s VAL 38 CO 0.00 0.19 -0.10 -0.63 0.00 0.00 0.00 175.10 174.56 1b44 s ILE 39 N 0.07 1.16 -0.02 2.22 1.01 -0.02 -1.54 121.20 124.08 1b44 s ILE 39 Ca -0.01 -0.39 0.07 0.00 0.00 0.00 0.00 60.65 60.32 1b44 s ILE 39 Cb -0.06 -1.14 -0.02 0.00 0.01 0.00 0.00 42.46 41.25 1b44 s ILE 39 CO -0.00 0.39 -0.22 0.27 0.00 0.00 0.00 174.94 175.38 1b44 s ILE 40 N 1.53 2.43 0.16 2.92 -4.36 -0.05 -1.19 121.20 122.63 1b44 s ILE 40 Ca 0.02 -1.01 0.05 0.00 -0.26 0.00 0.00 60.65 59.45 1b44 s ILE 40 Cb -0.13 -1.90 -0.05 0.00 1.25 0.00 0.00 42.46 41.64 1b44 s ILE 40 CO -0.07 0.55 -0.11 0.42 0.24 0.00 0.00 174.94 175.97 1b44 s THR 41 N -0.68 1.28 0.30 8.37 -4.23 -0.97 -0.76 115.64 118.94 1b44 s THR 41 Ca 0.11 -2.09 0.07 0.00 -1.18 0.00 0.00 61.69 58.59 1b44 s THR 41 Cb -0.10 -1.91 -0.06 0.00 1.34 0.00 0.00 72.50 71.77 1b44 s THR 41 CO 0.00 -0.70 -0.04 -0.36 -0.54 0.00 0.00 174.62 172.98 1b44 s PHE 42 N -3.26 2.04 -0.29 3.99 0.40 -0.86 -0.12 117.98 119.87 1b44 s PHE 42 Ca 0.18 -0.70 0.22 0.00 -0.60 0.00 0.00 56.93 56.03 1b44 s PHE 42 Cb 0.02 -1.20 1.11 0.00 0.51 0.00 0.00 43.02 43.46 1b44 s PHE 42 CO 0.02 0.29 1.68 0.36 0.70 0.00 0.00 175.22 178.28 1b44 n LYS 43 N -0.64 0.16 0.22 0.44 2.85 -1.26 -1.52 118.16 118.41 1b44 n LYS 43 Ca -0.05 0.56 0.15 0.00 -1.05 0.00 0.00 58.31 57.93 1b44 n LYS 43 Cb 0.64 -1.94 0.58 0.00 -0.65 0.00 0.00 35.03 33.66 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 -3.46 113.55 107.17 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 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 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 0.17 3.02 3.74 -0.77 0.00 -0.58 -5.07 105.19 105.70 1b44 n GLY 45 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.26 2.71 -2.65 4.61 0.00 -1.26 -4.80 120.51 117.87 1b44 n ALA 46 Ca 0.00 0.38 -0.28 0.00 0.00 0.00 0.00 53.44 53.55 1b44 n ALA 46 Cb 0.00 -2.49 -0.16 0.00 0.00 0.00 0.00 19.45 16.80 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 0.50 1.65 0.14 0.00 2.01 -1.26 -2.04 115.64 116.64 1b44 s THR 47 Ca 0.69 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.83 1b44 s THR 47 Cb -0.50 -1.39 -0.04 0.00 0.01 0.00 0.00 72.50 70.58 1b44 s THR 47 CO 0.42 0.47 0.01 -0.36 -0.69 0.00 0.00 174.62 174.46 1b44 s PHE 48 N -0.24 1.02 0.13 4.92 0.08 0.06 -3.80 117.98 120.14 1b44 s PHE 48 Ca 0.02 -1.07 -0.05 0.00 0.12 0.00 0.00 56.93 55.94 1b44 s PHE 48 Cb -0.10 -0.59 -0.02 0.00 -0.57 0.00 0.00 43.02 41.74 1b44 s PHE 48 CO 0.01 -0.31 0.15 1.14 -0.10 0.00 0.00 175.22 176.12 1b44 s GLN 49 N -3.94 0.96 -0.61 0.44 -2.07 -0.84 -0.87 119.66 112.72 1b44 s GLN 49 Ca 0.21 -1.23 0.04 0.00 -1.82 0.00 0.00 55.36 52.56 1b44 s GLN 49 Cb 0.07 0.30 0.15 0.00 -1.09 0.00 0.00 33.01 32.44 1b44 s GLN 49 CO 0.01 -0.30 0.38 0.08 -1.32 0.00 0.00 175.29 174.14 1b44 s VAL 50 N -3.97 2.81 0.80 3.63 1.01 -0.59 -0.87 120.40 123.22 1b44 s VAL 50 Ca 0.16 -3.73 -0.17 0.00 0.00 0.00 0.00 61.98 58.25 1b44 s VAL 50 Cb 0.06 -2.89 -0.11 0.00 0.00 0.00 0.00 36.38 33.43 1b44 s VAL 50 CO -0.03 -0.90 -0.22 -1.84 0.00 0.00 0.00 175.10 172.12 1b44 n GLU 51 N 2.62 0.03 -2.00 2.72 0.28 -1.26 -3.71 120.64 119.32 1b44 n GLU 51 Ca 0.12 0.02 -0.42 0.00 -0.16 0.00 0.00 57.16 56.72 1b44 n GLU 51 Cb 0.34 -1.26 -0.03 0.00 1.43 0.00 0.00 31.44 31.92 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 -2.02 2.77 0.07 3.84 1.01 -1.26 -4.93 120.40 119.88 1b44 s VAL 52 Ca 0.52 0.57 -0.30 0.00 0.00 0.00 0.00 61.98 62.77 1b44 s VAL 52 Cb -0.31 -3.37 -0.09 0.00 0.00 0.00 0.00 36.38 32.61 1b44 s VAL 52 CO 0.72 0.06 1.91 -2.84 0.00 0.00 0.00 175.10 174.94 1b44 s PRO 53 N 0.74 4.14 0.00 2.72 0.02 -1.26 -4.94 135.00 136.42 1b44 s PRO 53 Ca 0.66 2.61 0.00 0.00 0.02 0.00 0.00 61.00 64.29 1b44 s PRO 53 Cb -0.42 -3.92 0.00 0.00 0.02 0.00 0.00 34.50 30.18 1b44 s PRO 53 CO 0.34 -0.91 0.00 0.41 -0.33 0.00 0.00 177.00 176.51 1b44 n GLY 54 N 4.41 4.06 0.28 0.52 0.00 -1.26 -5.05 105.19 108.15 1b44 n GLY 54 Ca 0.19 -1.28 0.13 0.00 0.00 0.00 0.00 46.02 45.06 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 0.46 1.61 4.64 -2.01 -2.28 113.55 115.97 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 0.05 0.00 0.00 -0.87 0.00 0.00 176.83 176.01 1b44 n GLN 56 N -3.88 0.08 -3.78 4.77 0.00 -1.26 -4.76 117.38 108.55 1b44 n GLN 56 Ca -0.03 0.38 -0.21 0.00 0.00 0.00 0.00 57.00 57.15 1b44 n GLN 56 Cb 0.14 -1.68 -0.03 0.00 0.00 0.00 0.00 30.24 28.67 1b44 n GLN 56 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1b44 s HIS 57 N -3.17 2.99 0.29 2.61 3.76 -0.86 -5.14 115.29 115.77 1b44 s HIS 57 Ca 0.04 -0.26 0.03 0.00 -0.15 0.00 0.00 55.06 54.73 1b44 s HIS 57 Cb 0.08 -1.78 0.03 0.00 1.11 0.00 0.00 32.58 32.02 1b44 s HIS 57 CO 0.27 0.19 0.29 0.44 -0.85 0.00 0.00 174.74 175.07 1b44 n ILE 58 N -1.41 0.00 -0.03 0.60 -5.35 -1.26 -4.94 119.36 106.97 1b44 n ILE 58 Ca -0.02 -1.09 -0.16 0.00 -0.27 0.00 0.00 62.75 61.21 1b44 n ILE 58 Cb 0.59 -0.43 -0.08 0.00 -1.74 0.00 0.00 39.64 37.97 1b44 n ILE 58 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 1b44 h ASP 59 N 0.24 0.63 -0.53 7.28 3.32 -2.00 -3.21 116.42 122.14 1b44 h ASP 59 Ca -0.17 -0.64 -0.01 0.00 0.02 0.00 0.00 57.03 56.24 1b44 h ASP 59 Cb 0.66 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.99 1b44 h ASP 59 CO 0.25 1.16 0.31 0.77 -1.72 0.00 0.00 179.24 180.02 1b44 h SER 60 N 0.14 0.67 0.25 6.45 4.64 -2.04 -2.09 113.55 121.57 1b44 h SER 60 Ca -0.03 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1b44 h SER 60 Cb 1.14 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1b44 h SER 60 CO 0.10 0.54 0.00 1.56 -0.87 0.00 0.00 176.83 178.16 1b44 h GLN 61 N 0.77 0.00 -0.19 4.77 4.20 -1.96 -3.24 115.11 119.45 1b44 h GLN 61 Ca 0.20 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.93 1b44 h GLN 61 Cb 0.01 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 1b44 h GLN 61 CO -0.03 0.00 0.05 0.87 -0.67 0.00 0.00 178.83 179.05 1b44 h LYS 62 N 0.00 0.13 0.02 1.46 1.79 -1.42 -1.79 116.57 116.76 1b44 h LYS 62 Ca 0.00 -0.01 -0.25 0.00 -2.18 0.00 0.00 60.65 58.21 1b44 h LYS 62 Cb 0.12 -0.03 0.01 0.00 -1.58 0.00 0.00 32.23 30.76 1b44 h LYS 62 CO 0.00 0.09 -1.02 0.87 -1.08 0.00 0.00 179.45 178.31 1b44 h LYS 63 N 0.13 0.52 -0.08 3.15 1.57 -1.77 -3.17 116.57 116.92 1b44 h LYS 63 Ca 0.08 -0.58 0.02 0.00 -1.87 0.00 0.00 60.65 58.30 1b44 h LYS 63 Cb 0.07 0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 1b44 h LYS 63 CO -0.10 1.21 0.07 0.00 -0.57 0.00 0.00 179.45 180.06 1b44 h ALA 64 N 0.58 1.96 -0.04 3.86 0.00 -1.63 0.18 119.26 124.17 1b44 h ALA 64 Ca -0.11 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1b44 h ALA 64 Cb 1.67 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1b44 h ALA 64 CO 0.19 -0.11 -0.07 0.82 0.00 0.00 0.00 179.25 180.08 1b44 h ILE 65 N 0.00 1.43 -0.92 0.00 2.04 -1.31 -2.04 117.51 116.70 1b44 h ILE 65 Ca 0.04 -1.37 -0.01 0.00 1.00 0.00 0.00 64.86 64.52 1b44 h ILE 65 Cb 0.17 2.25 -0.04 0.00 -0.74 0.00 0.00 36.82 38.46 1b44 h ILE 65 CO -0.00 0.37 0.53 -0.33 0.00 0.00 0.00 178.15 178.72 1b44 h GLU 66 N -0.40 1.27 -0.40 2.37 4.39 -1.26 -1.86 114.58 118.69 1b44 h GLU 66 Ca 0.00 -0.13 -0.02 0.00 0.34 0.00 0.00 59.36 59.55 1b44 h GLU 66 Cb 0.64 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 1b44 h GLU 66 CO 0.02 0.91 0.18 -0.09 -1.16 0.00 0.00 179.01 178.86 1b44 h ARG 67 N 1.28 0.59 -0.39 2.33 2.43 -0.69 -1.07 114.38 118.86 1b44 h ARG 67 Ca 0.33 -0.09 0.02 0.00 -0.81 0.00 0.00 59.98 59.42 1b44 h ARG 67 Cb -0.01 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 1b44 h ARG 67 CO -0.06 0.53 0.22 1.98 -1.51 0.00 0.00 179.97 181.14 1b44 h MET 68 N 0.51 0.44 -0.28 0.20 4.05 -0.90 0.11 114.93 119.06 1b44 h MET 68 Ca 0.14 -0.03 -0.06 0.00 -0.28 0.00 0.00 59.70 59.47 1b44 h MET 68 Cb 0.14 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 30.83 1b44 h MET 68 CO -0.02 0.29 -0.07 0.87 0.23 0.00 0.00 176.91 178.22 1b44 h LYS 69 N 0.46 0.45 0.02 0.39 1.57 -1.15 0.46 116.57 118.78 1b44 h LYS 69 Ca 0.16 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1b44 h LYS 69 Cb 0.01 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1b44 h LYS 69 CO -0.08 0.54 -0.01 -0.44 -0.57 0.00 0.00 179.45 178.89 1b44 h ASP 70 N 0.43 -0.03 -0.64 0.86 3.32 -0.22 -2.15 116.42 117.99 1b44 h ASP 70 Ca 0.09 -0.16 0.02 0.00 0.02 0.00 0.00 57.03 57.00 1b44 h ASP 70 Cb 0.39 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.91 1b44 h ASP 70 CO 0.02 0.14 0.41 0.74 -1.72 0.00 0.00 179.24 178.83 1b44 h THR 71 N -0.20 1.12 -0.76 0.35 2.02 -0.25 -1.93 112.91 113.24 1b44 h THR 71 Ca -0.00 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 66.87 1b44 h THR 71 Cb 0.19 0.23 -0.04 0.00 -1.74 0.00 0.00 68.15 66.79 1b44 h THR 71 CO 0.01 0.15 0.36 -0.07 0.37 0.00 0.00 175.52 176.34 1b44 h LEU 72 N 0.81 0.99 0.21 2.58 3.38 -0.79 0.62 115.31 123.11 1b44 h LEU 72 Ca 0.25 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1b44 h LEU 72 Cb -0.03 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.47 1b44 h LEU 72 CO -0.08 0.84 -0.10 -0.09 0.09 0.00 0.00 178.44 179.10 1b44 h ARG 73 N 1.08 -0.27 -0.73 1.13 2.43 -0.74 -1.31 114.38 115.98 1b44 h ARG 73 Ca 0.26 0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.39 1b44 h ARG 73 Cb 0.11 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 1b44 h ARG 73 CO -0.03 -0.01 0.21 0.97 -1.51 0.00 0.00 179.97 179.60 1b44 h ILE 74 N -0.51 1.26 -0.82 1.20 6.09 -1.26 -0.62 117.51 122.86 1b44 h ILE 74 Ca -0.03 -0.93 0.02 0.00 -1.37 0.00 0.00 64.86 62.55 1b44 h ILE 74 Cb 0.38 0.47 -0.04 0.00 0.47 0.00 0.00 36.82 38.09 1b44 h ILE 74 CO 0.05 0.36 0.54 0.74 -3.07 0.00 0.00 178.15 176.77 1b44 h THR 75 N 1.10 1.18 0.38 2.19 2.02 -0.80 0.66 112.91 119.64 1b44 h THR 75 Ca 0.24 -0.37 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 1b44 h THR 75 Cb 0.33 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 1b44 h THR 75 CO -0.00 0.19 -0.18 0.22 0.37 0.00 0.00 175.52 176.12 1b44 h TYR 76 N 1.07 -0.47 -0.98 3.16 3.20 -0.52 -1.03 116.97 121.39 1b44 h TYR 76 Ca 0.31 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.27 1b44 h TYR 76 Cb -0.06 0.16 -0.08 0.00 1.54 0.00 0.00 36.73 38.29 1b44 h TYR 76 CO -0.00 -0.14 0.62 -0.07 -1.64 0.00 0.00 178.16 176.93 1b44 h LEU 77 N -0.88 0.91 -0.75 2.82 3.38 -0.74 -0.15 115.31 119.90 1b44 h LEU 77 Ca -0.05 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1b44 h LEU 77 Cb 0.54 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1b44 h LEU 77 CO 0.09 0.52 0.00 0.35 0.09 0.00 0.00 178.44 179.48 1b44 n THR 78 N -4.57 0.06 -2.81 0.22 -2.24 0.19 -4.92 114.28 100.21 1b44 n THR 78 Ca 0.17 -0.21 -0.19 0.00 -2.27 0.00 0.00 64.05 61.55 1b44 n THR 78 Cb 0.32 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 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 -0.07 -3.08 -2.30 -0.78 1.02 -0.07 -4.93 120.64 110.44 1b44 n GLU 79 Ca 0.19 0.71 -0.40 0.00 -0.02 0.00 0.00 57.16 57.63 1b44 n GLU 79 Cb 0.28 -5.41 -0.03 0.00 -0.02 0.00 0.00 31.44 26.26 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 3.11 -0.20 2.62 2.01 -0.44 -4.85 115.64 114.99 1b44 s THR 80 Ca 0.17 1.12 -0.27 0.00 0.31 0.00 0.00 61.69 63.01 1b44 s THR 80 Cb -0.09 -3.71 -0.00 0.00 0.01 0.00 0.00 72.50 68.71 1b44 s THR 80 CO 0.21 0.27 0.95 -0.75 -0.69 0.00 0.00 174.62 174.61 1b44 s LYS 81 N -1.60 4.27 -0.06 4.92 2.20 -1.26 -4.27 119.74 123.94 1b44 s LYS 81 Ca 0.47 1.21 -0.23 0.00 -0.36 0.00 0.00 55.97 57.06 1b44 s LYS 81 Cb -0.36 -3.62 -0.04 0.00 -1.51 0.00 0.00 37.83 32.31 1b44 s LYS 81 CO 0.47 -0.51 0.69 0.42 -0.36 0.00 0.00 175.35 176.06 1b44 s ILE 82 N 2.77 5.03 0.00 5.43 1.01 -0.38 -4.32 121.20 130.73 1b44 s ILE 82 Ca 0.42 1.43 0.00 0.00 0.00 0.00 0.00 60.65 62.49 1b44 s ILE 82 Cb -0.16 -4.03 0.00 0.00 0.01 0.00 0.00 42.46 38.28 1b44 s ILE 82 CO 0.09 0.27 0.00 -0.67 0.00 0.00 0.00 174.94 174.63 1b44 n ASP 83 N 3.65 0.00 -4.48 3.58 2.03 -0.05 -0.56 116.55 120.73 1b44 n ASP 83 Ca -0.02 0.33 -0.23 0.00 0.52 0.00 0.00 54.79 55.39 1b44 n ASP 83 Cb 0.51 -0.35 -0.11 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 -0.70 1.69 -0.08 -0.67 1.02 -1.17 0.11 119.74 119.94 1b44 s LYS 84 Ca 0.00 -1.91 -0.03 0.00 0.02 0.00 0.00 55.97 54.05 1b44 s LYS 84 Cb 0.00 -1.21 0.04 0.00 -0.52 0.00 0.00 37.83 36.15 1b44 s LYS 84 CO 0.00 -0.05 0.13 -0.51 -0.92 0.00 0.00 175.35 174.00 1b44 s LEU 85 N -3.53 0.00 -0.40 3.17 1.43 -0.70 -2.11 118.68 116.56 1b44 s LEU 85 Ca 0.33 0.20 -0.20 0.00 -1.03 0.00 0.00 54.13 53.43 1b44 s LEU 85 Cb 0.07 0.13 0.01 0.00 0.03 0.00 0.00 46.19 46.43 1b44 s LEU 85 CO 0.15 -0.25 0.61 0.00 0.23 0.00 0.00 176.35 177.09 1b44 s VAL 87 N 2.70 1.45 -0.46 0.00 -7.23 -0.54 -0.07 120.40 116.25 1b44 s VAL 87 Ca 0.22 -1.87 -0.23 0.00 -1.81 0.00 0.00 61.98 58.29 1b44 s VAL 87 Cb -0.14 -1.70 0.03 0.00 0.56 0.00 0.00 36.38 35.12 1b44 s VAL 87 CO 0.17 -0.47 0.78 0.26 -0.31 0.00 0.00 175.10 175.53 1b44 s TRP 88 N -2.41 2.98 -1.74 2.82 0.51 0.49 -0.19 118.94 121.41 1b44 s TRP 88 Ca 0.13 0.11 0.30 0.00 -2.12 0.00 0.00 56.10 54.51 1b44 s TRP 88 Cb -0.03 -3.68 1.64 0.00 -0.81 0.00 0.00 33.47 30.59 1b44 s TRP 88 CO 0.04 -1.02 2.07 0.27 -0.51 0.00 0.00 176.95 177.80 1b44 n ASN 89 N 6.74 0.00 -1.31 2.95 0.23 -0.53 -2.49 115.26 120.85 1b44 n ASN 89 Ca 0.02 -0.57 0.02 0.00 -0.53 0.00 0.00 54.58 53.52 1b44 n ASN 89 Cb 0.48 -0.13 0.21 0.00 -2.08 0.00 0.00 39.78 38.26 1b44 n ASN 89 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1b44 n ASN 90 N -1.13 3.60 -4.13 0.53 4.13 -1.26 -4.84 115.26 112.16 1b44 n ASN 90 Ca 0.18 -2.55 -0.15 0.00 1.68 0.00 0.00 54.58 53.75 1b44 n ASN 90 Cb 0.16 -0.61 -0.11 0.00 -1.54 0.00 0.00 39.78 37.68 1b44 n ASN 90 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1b44 s LYS 91 N -1.96 0.72 -0.20 3.52 -0.14 -1.23 -5.09 119.74 115.37 1b44 s LYS 91 Ca 0.30 -0.97 0.01 0.00 -1.36 0.00 0.00 55.97 53.94 1b44 s LYS 91 Cb 0.23 -0.50 0.04 0.00 -1.68 0.00 0.00 37.83 35.93 1b44 s LYS 91 CO 0.08 0.09 -0.09 0.99 -0.76 0.00 0.00 175.35 175.67 1b44 s THR 92 N -1.84 1.54 1.06 2.17 2.01 -1.26 -2.65 115.64 116.66 1b44 s THR 92 Ca -0.02 -0.97 -0.17 0.00 0.31 0.00 0.00 61.69 60.84 1b44 s THR 92 Cb -0.07 -1.66 0.22 0.00 0.01 0.00 0.00 72.50 71.01 1b44 s THR 92 CO 0.00 0.13 1.19 -2.16 -0.69 0.00 0.00 174.62 173.09 1b44 s PRO 93 N 1.44 -0.06 0.08 4.92 0.04 -1.26 -5.05 135.00 135.10 1b44 s PRO 93 Ca -0.02 -0.11 -0.31 0.00 0.04 0.00 0.00 61.00 60.60 1b44 s PRO 93 Cb -0.16 -1.74 -0.10 0.00 0.04 0.00 0.00 34.50 32.54 1b44 s PRO 93 CO -0.08 -2.93 1.89 0.09 0.04 0.00 0.00 177.00 176.01 1b44 n ASN 94 N -4.20 4.04 -4.74 6.66 5.03 -1.08 -4.63 115.26 116.34 1b44 n ASN 94 Ca 0.12 0.96 -0.41 0.00 0.87 0.00 0.00 54.58 56.12 1b44 n ASN 94 Cb 0.59 -1.53 -0.04 0.00 -1.02 0.00 0.00 39.78 37.79 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 3.42 7.33 0.10 6.41 0.15 -1.04 -1.99 113.70 128.08 1b44 s SER 95 Ca 0.85 2.03 -0.30 0.00 0.70 0.00 0.00 55.95 59.23 1b44 s SER 95 Cb -0.48 -2.60 -0.06 0.00 -1.71 0.00 0.00 66.02 61.17 1b44 s SER 95 CO 0.40 -0.17 0.97 -0.63 1.20 0.00 0.00 173.24 175.00 1b44 s ILE 96 N -0.24 4.51 -0.04 6.45 1.01 -0.05 -0.38 121.20 132.46 1b44 s ILE 96 Ca 0.49 2.05 0.02 0.00 0.00 0.00 0.00 60.65 63.21 1b44 s ILE 96 Cb -0.28 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 37.84 1b44 s ILE 96 CO 0.34 0.30 -0.00 0.00 0.00 0.00 0.00 174.94 175.58 1b44 n ALA 97 N 2.88 1.91 -3.17 9.38 0.00 0.90 -4.90 120.51 127.51 1b44 n ALA 97 Ca 0.03 -0.22 -0.10 0.00 0.00 0.00 0.00 53.44 53.14 1b44 n ALA 97 Cb 0.49 0.23 -0.04 0.00 0.00 0.00 0.00 19.45 20.13 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 -2.09 -1.01 -0.07 0.00 0.00 -0.57 -4.98 121.76 113.04 1b44 s ALA 98 Ca -0.03 -0.05 -0.10 0.00 0.00 0.00 0.00 51.96 51.78 1b44 s ALA 98 Cb 0.01 0.78 0.02 0.00 0.00 0.00 0.00 23.12 23.94 1b44 s ALA 98 CO 0.13 -0.72 0.26 -1.50 0.00 0.00 0.00 175.76 173.93 1b44 s ILE 99 N -3.82 0.02 0.04 0.00 2.07 -1.26 -1.70 121.20 116.55 1b44 s ILE 99 Ca 0.05 -0.20 0.04 0.00 -1.41 0.00 0.00 60.65 59.12 1b44 s ILE 99 Cb 0.00 -0.44 -0.02 0.00 0.13 0.00 0.00 42.46 42.13 1b44 s ILE 99 CO -0.09 -0.11 -0.11 -0.94 -1.91 0.00 0.00 174.94 171.78 1b44 s SER 100 N -0.40 1.27 -0.02 4.50 1.04 -0.89 -5.01 113.70 114.19 1b44 s SER 100 Ca -0.05 -0.48 0.01 0.00 0.48 0.00 0.00 55.95 55.90 1b44 s SER 100 Cb -0.03 -0.04 0.01 0.00 0.10 0.00 0.00 66.02 66.06 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 -1.30 0.25 -0.07 4.02 -1.94 -1.26 -0.87 119.30 118.12 1b44 s MET 101 Ca -0.03 -0.00 0.05 0.00 -1.71 0.00 0.00 55.69 54.00 1b44 s MET 101 Cb -0.08 -0.34 -0.01 0.00 2.01 0.00 0.00 34.83 36.42 1b44 s MET 101 CO 0.01 -0.04 -0.24 -1.21 -0.01 0.00 0.00 175.02 173.53 1b44 s GLU 102 N 0.48 2.62 -0.88 2.03 2.02 -1.26 -4.90 118.70 118.82 1b44 s GLU 102 Ca -0.05 -0.85 0.00 0.00 0.02 0.00 0.00 54.97 54.09 1b44 s GLU 102 Cb -0.07 -2.13 0.34 0.00 0.10 0.00 0.00 34.13 32.36 1b44 s GLU 102 CO -0.01 0.29 1.68 1.63 0.02 0.00 0.00 175.26 178.87 1b44 n LYS 103 N 3.19 4.37 0.31 1.61 4.76 -1.26 -4.60 118.16 126.54 1b44 n LYS 103 Ca -0.18 -4.44 0.20 0.00 -2.87 0.00 0.00 58.31 51.01 1b44 n LYS 103 Cb 0.52 -2.37 0.98 0.00 -1.84 0.00 0.00 35.03 32.32 1b44 n LYS 103 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1b44 h LEU 104 N 3.63 0.00 -0.45 -0.35 4.07 -2.00 -2.96 115.31 117.24 1b44 h LEU 104 Ca 0.46 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.42 1b44 h LEU 104 Cb 0.33 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.07 1b44 h LEU 104 CO 1.15 0.02 0.00 0.00 -1.08 0.00 0.00 178.44 178.53 1b44 n ALA 105 N -2.12 1.32 1.72 1.53 0.00 -1.26 -5.34 120.51 116.36 1b44 n ALA 105 Ca -0.02 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.57 1b44 n ALA 105 Cb 0.17 -1.00 0.71 0.00 0.00 0.00 0.00 19.45 19.33 1b44 n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91