#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i53 s GLN 2 N 0.00 4.63 -0.21 0.00 0.74 -1.26 -4.97 119.66 118.59 1i53 s GLN 2 Ca 0.00 1.32 0.13 0.00 0.05 0.00 0.00 55.36 56.86 1i53 s GLN 2 Cb 0.00 -2.97 0.44 0.00 1.10 0.00 0.00 33.01 31.58 1i53 s GLN 2 CO 0.00 0.38 1.19 0.00 -0.55 0.00 0.00 175.29 176.31 1i53 s SER 4 N -3.22 -0.11 -0.20 0.00 1.04 -1.26 -1.17 113.70 108.78 1i53 s SER 4 Ca 0.40 -0.88 -0.21 0.00 0.48 0.00 0.00 55.95 55.73 1i53 s SER 4 Cb 0.38 0.60 0.06 0.00 0.10 0.00 0.00 66.02 67.16 1i53 s SER 4 CO -0.05 -1.17 0.59 0.54 0.98 0.00 0.00 173.24 174.14 1i53 s VAL 5 N -4.00 0.00 -0.23 5.02 0.11 -0.30 -4.93 120.40 116.07 1i53 s VAL 5 Ca 0.21 -0.02 -0.08 0.00 -2.93 0.00 0.00 61.98 59.16 1i53 s VAL 5 Cb -0.01 -0.84 -0.04 0.00 -1.53 0.00 0.00 36.38 33.96 1i53 s VAL 5 CO 0.09 -0.01 0.10 -1.81 -3.33 0.00 0.00 175.10 170.14 1i53 s ASP 6 N 0.12 5.56 0.06 3.54 1.01 -1.26 -0.82 116.67 124.88 1i53 s ASP 6 Ca -0.01 -0.05 0.08 0.00 0.71 0.00 0.00 52.55 53.28 1i53 s ASP 6 Cb -0.04 -1.99 -0.03 0.00 1.01 0.00 0.00 42.92 41.87 1i53 s ASP 6 CO 0.02 0.04 -0.22 -0.63 0.21 0.00 0.00 175.17 174.58 1i53 s ILE 7 N 1.21 1.81 0.02 0.77 1.01 -0.41 -4.96 121.20 120.64 1i53 s ILE 7 Ca 0.05 -1.33 0.08 0.00 0.00 0.00 0.00 60.65 59.45 1i53 s ILE 7 Cb -0.14 -1.58 -0.02 0.00 0.01 0.00 0.00 42.46 40.72 1i53 s ILE 7 CO 0.04 0.19 -0.23 -1.10 0.00 0.00 0.00 174.94 173.84 1i53 s GLN 8 N -1.37 1.72 -0.18 2.79 -0.21 -1.26 -2.00 119.66 119.15 1i53 s GLN 8 Ca 0.09 -0.95 0.01 0.00 0.02 0.00 0.00 55.36 54.53 1i53 s GLN 8 Cb -0.09 -1.78 0.03 0.00 1.00 0.00 0.00 33.01 32.17 1i53 s GLN 8 CO 0.03 0.47 -0.15 0.20 -2.12 0.00 0.00 175.29 173.72 1i53 s GLY 9 N -0.93 1.29 0.00 3.09 0.00 -0.74 -1.31 107.32 108.71 1i53 s GLY 9 Ca 0.09 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 43.67 1i53 s GLY 9 CO 0.01 0.49 0.00 1.16 0.00 0.00 0.00 173.10 174.76 1i53 n ASN 10 N 4.68 0.00 0.00 1.64 0.23 -0.78 -3.95 115.26 117.08 1i53 n ASN 10 Ca -0.18 -0.98 0.14 0.00 -0.53 0.00 0.00 54.58 53.04 1i53 n ASN 10 Cb 0.49 0.00 0.62 0.00 -2.08 0.00 0.00 39.78 38.81 1i53 n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1i53 n ASP 11 N -2.93 0.00 -0.56 0.53 8.00 -1.26 -3.03 116.55 117.30 1i53 n ASP 11 Ca 0.00 0.41 0.10 0.00 0.71 0.00 0.00 54.79 56.01 1i53 n ASP 11 Cb 0.00 -0.47 0.35 0.00 -0.02 0.00 0.00 41.12 40.98 1i53 n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i53 n GLN 12 N -1.47 1.73 -3.23 -1.24 1.13 -1.26 -4.92 117.38 108.13 1i53 n GLN 12 Ca 0.08 -1.11 -0.15 0.00 -1.94 0.00 0.00 57.00 53.88 1i53 n GLN 12 Cb 0.32 -1.38 0.07 0.00 0.11 0.00 0.00 30.24 29.36 1i53 n GLN 12 CO 0.00 0.00 0.00 -0.12 -1.44 0.00 0.00 177.06 175.50 1i53 n MET 13 N 0.34 -5.71 -3.88 -1.09 0.00 -1.17 -5.03 117.12 100.59 1i53 n MET 13 Ca 0.16 0.71 -0.12 0.00 -0.00 0.00 0.00 57.70 58.45 1i53 n MET 13 Cb 0.32 -5.32 -0.13 0.00 0.00 0.00 0.00 33.22 28.09 1i53 n MET 13 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1i53 s GLN 14 N -5.28 0.07 0.33 2.12 -1.52 -1.26 -4.33 119.66 109.79 1i53 s GLN 14 Ca 0.07 -0.08 -0.10 0.00 -1.95 0.00 0.00 55.36 53.30 1i53 s GLN 14 Cb -0.03 0.03 -0.07 0.00 -0.22 0.00 0.00 33.01 32.72 1i53 s GLN 14 CO 0.61 -0.01 0.67 -0.06 -0.25 0.00 0.00 175.29 176.25 1i53 s PHE 15 N -0.24 3.45 -0.56 0.91 0.08 -1.26 -1.87 117.98 118.50 1i53 s PHE 15 Ca -0.03 0.94 0.05 0.00 0.12 0.00 0.00 56.93 58.01 1i53 s PHE 15 Cb -0.02 -2.34 0.35 0.00 -0.57 0.00 0.00 43.02 40.45 1i53 s PHE 15 CO -0.00 0.07 1.14 0.27 -0.10 0.00 0.00 175.22 176.59 1i53 n ASN 16 N -0.84 3.17 -3.64 1.36 6.94 -0.42 -4.80 115.26 117.03 1i53 n ASN 16 Ca 0.01 -2.48 -0.09 0.00 -0.02 0.00 0.00 54.58 52.00 1i53 n ASN 16 Cb 0.54 -0.60 -0.07 0.00 -2.36 0.00 0.00 39.78 37.29 1i53 n ASN 16 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1i53 s THR 17 N -1.71 0.00 -0.09 5.53 2.01 -1.26 -4.94 115.64 115.17 1i53 s THR 17 Ca 0.25 0.00 0.13 0.00 0.31 0.00 0.00 61.69 62.38 1i53 s THR 17 Cb 0.19 -1.00 0.20 0.00 0.01 0.00 0.00 72.50 71.90 1i53 s THR 17 CO 0.07 0.00 1.10 -0.46 -0.69 0.00 0.00 174.62 174.64 1i53 n ASN 18 N 2.18 2.21 -3.47 3.53 2.04 -1.26 -4.85 115.26 115.64 1i53 n ASN 18 Ca -0.12 -2.76 -0.05 0.00 -0.44 0.00 0.00 54.58 51.21 1i53 n ASN 18 Cb 0.56 -0.30 -0.06 0.00 -2.53 0.00 0.00 39.78 37.44 1i53 n ASN 18 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1i53 s ALA 19 N -2.29 -1.51 -0.03 -2.53 0.00 -1.26 -2.37 121.76 111.76 1i53 s ALA 19 Ca 0.22 1.56 0.04 0.00 0.00 0.00 0.00 51.96 53.79 1i53 s ALA 19 Cb 0.20 -1.67 -0.03 0.00 0.00 0.00 0.00 23.12 21.62 1i53 s ALA 19 CO 0.02 -1.04 -0.15 0.42 0.00 0.00 0.00 175.76 175.01 1i53 s ILE 20 N 2.69 3.00 -0.05 0.00 1.01 0.18 -4.98 121.20 123.05 1i53 s ILE 20 Ca 0.06 -0.82 0.06 0.00 0.00 0.00 0.00 60.65 59.95 1i53 s ILE 20 Cb -0.14 -2.19 -0.01 0.00 0.01 0.00 0.00 42.46 40.13 1i53 s ILE 20 CO -0.16 0.54 -0.25 -0.89 0.00 0.00 0.00 174.94 174.18 1i53 s THR 21 N -0.77 2.03 -0.16 2.92 2.01 -1.26 -0.93 115.64 119.48 1i53 s THR 21 Ca 0.12 -1.06 0.01 0.00 0.31 0.00 0.00 61.69 61.07 1i53 s THR 21 Cb -0.11 -1.71 0.01 0.00 0.01 0.00 0.00 72.50 70.70 1i53 s THR 21 CO 0.02 0.57 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.65 1i53 s VAL 22 N -0.22 2.42 0.11 3.82 1.01 -0.43 -4.95 120.40 122.15 1i53 s VAL 22 Ca -0.02 -0.85 -0.31 0.00 0.00 0.00 0.00 61.98 60.81 1i53 s VAL 22 Cb -0.13 -2.01 -0.07 0.00 0.00 0.00 0.00 36.38 34.17 1i53 s VAL 22 CO 0.03 0.52 1.23 -0.62 0.00 0.00 0.00 175.10 176.27 1i53 s ASP 23 N 0.95 7.03 0.24 3.32 -1.08 -1.26 -0.53 116.67 125.34 1i53 s ASP 23 Ca -0.03 2.14 0.19 0.00 -0.52 0.00 0.00 52.55 54.32 1i53 s ASP 23 Cb -0.15 -2.59 0.93 0.00 -1.46 0.00 0.00 42.92 39.65 1i53 s ASP 23 CO -0.03 -0.48 1.58 0.29 0.52 0.00 0.00 175.17 177.05 1i53 n LYS 24 N 3.52 0.13 0.08 4.34 5.02 -1.26 -1.36 118.16 128.63 1i53 n LYS 24 Ca 0.08 0.53 -0.09 0.00 -2.02 0.00 0.00 58.31 56.81 1i53 n LYS 24 Cb 0.45 -1.85 -0.05 0.00 -0.02 0.00 0.00 35.03 33.57 1i53 n LYS 24 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1i53 h SER 25 N 0.00 0.22 -2.78 4.39 0.02 -1.91 -3.45 113.55 110.04 1i53 h SER 25 Ca 0.00 -0.20 -0.53 0.00 -0.84 0.00 0.00 61.79 60.23 1i53 h SER 25 Cb 0.12 -0.07 0.04 0.00 0.14 0.00 0.00 62.40 62.63 1i53 h SER 25 CO 0.00 1.05 0.91 0.00 -1.14 0.00 0.00 176.83 177.66 1i53 h LYS 27 N 7.13 0.19 -4.65 0.00 3.64 -1.87 -3.43 116.57 117.59 1i53 h LYS 27 Ca -0.43 -0.33 -0.27 0.00 -1.27 0.00 0.00 60.65 58.35 1i53 h LYS 27 Cb 1.20 0.12 -0.20 0.00 -0.41 0.00 0.00 32.23 32.95 1i53 h LYS 27 CO 0.92 1.10 -0.73 -0.65 -2.27 0.00 0.00 179.45 177.82 1i53 s GLN 28 N -2.65 0.62 -0.02 1.90 -0.21 -1.26 -1.63 119.66 116.40 1i53 s GLN 28 Ca -0.04 -0.90 0.05 0.00 0.02 0.00 0.00 55.36 54.49 1i53 s GLN 28 Cb 0.08 -0.32 -0.01 0.00 1.00 0.00 0.00 33.01 33.76 1i53 s GLN 28 CO 0.86 0.05 -0.17 0.12 -2.12 0.00 0.00 175.29 174.02 1i53 s PHE 29 N -1.86 1.57 -0.03 0.91 5.36 -0.55 -4.85 117.98 118.53 1i53 s PHE 29 Ca -0.05 -0.31 0.06 0.00 -0.96 0.00 0.00 56.93 55.68 1i53 s PHE 29 Cb -0.07 -1.01 -0.01 0.00 -0.34 0.00 0.00 43.02 41.59 1i53 s PHE 29 CO -0.01 -0.04 -0.23 0.99 -1.46 0.00 0.00 175.22 174.48 1i53 s THR 30 N -0.37 1.82 -0.18 0.12 2.01 -0.32 -1.40 115.64 117.32 1i53 s THR 30 Ca 0.06 -0.96 -0.00 0.00 0.31 0.00 0.00 61.69 61.09 1i53 s THR 30 Cb -0.07 -1.53 0.01 0.00 0.01 0.00 0.00 72.50 70.92 1i53 s THR 30 CO -0.00 0.51 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.60 1i53 s VAL 31 N -0.34 2.51 -0.47 3.82 1.01 -0.46 -1.15 120.40 125.32 1i53 s VAL 31 Ca 0.03 -0.80 -0.10 0.00 0.00 0.00 0.00 61.98 61.11 1i53 s VAL 31 Cb -0.11 -2.08 0.11 0.00 0.00 0.00 0.00 36.38 34.31 1i53 s VAL 31 CO 0.01 0.51 0.34 0.20 0.00 0.00 0.00 175.10 176.16 1i53 s ASN 32 N 1.22 5.75 0.02 3.32 0.01 0.00 -1.85 114.94 123.41 1i53 s ASN 32 Ca 0.03 -1.80 -0.16 0.00 -0.71 0.00 0.00 52.86 50.22 1i53 s ASN 32 Cb -0.14 -2.03 -0.06 0.00 0.41 0.00 0.00 41.25 39.43 1i53 s ASN 32 CO -0.07 -0.68 0.46 -0.22 -1.51 0.00 0.00 177.10 175.08 1i53 s LEU 33 N 1.41 4.48 0.06 0.60 2.96 0.79 -1.29 118.68 127.69 1i53 s LEU 33 Ca 0.05 1.04 -0.04 0.00 -0.22 0.00 0.00 54.13 54.97 1i53 s LEU 33 Cb -0.26 -2.68 -0.03 0.00 0.50 0.00 0.00 46.19 43.73 1i53 s LEU 33 CO 0.00 0.30 0.04 -0.94 -1.32 0.00 0.00 176.35 174.44 1i53 s SER 34 N -1.02 0.36 -0.37 3.68 1.04 -0.84 -0.78 113.70 115.77 1i53 s SER 34 Ca 0.25 -0.88 0.01 0.00 0.48 0.00 0.00 55.95 55.81 1i53 s SER 34 Cb -0.17 0.25 0.12 0.00 0.10 0.00 0.00 66.02 66.31 1i53 s SER 34 CO 0.15 -0.64 0.16 -2.28 0.98 0.00 0.00 173.24 171.61 1i53 s HIS 35 N -3.87 1.83 -1.77 5.02 2.46 -1.02 -1.80 115.29 116.14 1i53 s HIS 35 Ca 0.06 -2.06 0.21 0.00 0.47 0.00 0.00 55.06 53.74 1i53 s HIS 35 Cb 0.07 -1.78 1.16 0.00 -0.13 0.00 0.00 32.58 31.89 1i53 s HIS 35 CO -0.10 -0.84 1.63 -0.35 -2.47 0.00 0.00 174.74 172.61 1i53 n PRO 36 N 4.25 0.51 0.00 2.88 -0.04 -1.25 -0.04 135.00 141.30 1i53 n PRO 36 Ca 0.03 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1i53 n PRO 36 Cb 0.39 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 1i53 n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1i53 n GLY 37 N 0.35 -2.74 0.00 0.55 0.00 -1.26 -4.78 105.19 97.32 1i53 n GLY 37 Ca 0.13 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1i53 n GLY 37 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1i53 n ASN 38 N 0.00 0.34 -4.75 1.61 2.85 -1.26 -4.41 115.26 109.64 1i53 n ASN 38 Ca 0.00 -0.10 -0.40 0.00 -0.11 0.00 0.00 54.58 53.96 1i53 n ASN 38 Cb 0.00 0.27 -0.05 0.00 1.24 0.00 0.00 39.78 41.24 1i53 n ASN 38 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1i53 s LEU 39 N -0.62 4.59 0.96 1.20 1.02 -1.26 -4.83 118.68 119.74 1i53 s LEU 39 Ca 0.00 1.85 -0.12 0.00 0.02 0.00 0.00 54.13 55.88 1i53 s LEU 39 Cb 0.00 -3.55 0.17 0.00 0.02 0.00 0.00 46.19 42.82 1i53 s LEU 39 CO 0.00 0.09 1.09 -2.84 0.02 0.00 0.00 176.35 174.71 1i53 s PRO 40 N -0.77 0.73 0.40 1.29 0.02 -1.26 -1.58 135.00 133.84 1i53 s PRO 40 Ca 0.42 0.92 0.12 0.00 0.02 0.00 0.00 61.00 62.47 1i53 s PRO 40 Cb -0.25 -1.74 0.84 0.00 0.02 0.00 0.00 34.50 33.37 1i53 s PRO 40 CO 0.30 -2.63 1.92 -0.22 -0.33 0.00 0.00 177.00 176.05 1i53 h LYS 41 N -1.84 0.12 0.00 5.54 3.64 -1.86 -0.52 116.57 121.66 1i53 h LYS 41 Ca -0.51 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 1i53 h LYS 41 Cb 1.29 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1i53 h LYS 41 CO 0.52 0.32 0.00 0.27 -2.27 0.00 0.00 179.45 178.28 1i53 n ASN 42 N -4.26 0.24 0.00 4.20 2.04 -1.26 -1.61 115.26 114.61 1i53 n ASN 42 Ca -0.02 0.54 0.00 0.00 -0.44 0.00 0.00 54.58 54.66 1i53 n ASN 42 Cb 0.29 -0.60 0.00 0.00 -2.53 0.00 0.00 39.78 36.94 1i53 n ASN 42 CO 0.00 0.00 0.00 1.33 -0.44 0.00 0.00 177.26 178.15 1i53 n VAL 43 N -1.75 0.00 -2.67 3.53 0.24 -1.11 -4.85 118.33 111.73 1i53 n VAL 43 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 1i53 n VAL 43 Cb 0.29 0.02 0.05 0.00 -1.47 0.00 0.00 33.84 32.73 1i53 n VAL 43 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 1i53 n MET 44 N -1.37 1.13 -2.24 7.34 0.00 -0.22 -5.02 117.12 116.74 1i53 n MET 44 Ca 0.00 -2.58 -0.37 0.00 -0.00 0.00 0.00 57.70 54.75 1i53 n MET 44 Cb 0.13 -0.73 -0.01 0.00 0.00 0.00 0.00 33.22 32.61 1i53 n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1i53 s GLY 45 N -2.72 2.80 0.00 -5.12 0.00 -0.64 -4.76 107.32 96.88 1i53 s GLY 45 Ca 0.24 0.96 0.02 0.00 0.00 0.00 0.00 44.72 45.93 1i53 s GLY 45 CO -0.08 1.43 -0.06 0.30 0.00 0.00 0.00 173.10 174.68 1i53 s HIS 46 N -1.51 0.54 0.22 1.90 3.76 -0.20 -4.67 115.29 115.32 1i53 s HIS 46 Ca 0.63 -0.15 0.02 0.00 -0.15 0.00 0.00 55.06 55.41 1i53 s HIS 46 Cb -0.29 -0.34 -0.05 0.00 1.11 0.00 0.00 32.58 33.00 1i53 s HIS 46 CO 0.36 -0.02 0.04 0.54 -0.85 0.00 0.00 174.74 174.81 1i53 s ASN 47 N -0.32 1.32 -0.23 1.40 2.20 -1.26 -0.91 114.94 117.14 1i53 s ASN 47 Ca 0.01 -1.26 0.02 0.00 -0.94 0.00 0.00 52.86 50.69 1i53 s ASN 47 Cb -0.03 0.11 0.05 0.00 -2.00 0.00 0.00 41.25 39.38 1i53 s ASN 47 CO -0.00 -0.62 -0.14 0.86 -2.94 0.00 0.00 177.10 174.26 1i53 s TRP 48 N -3.65 3.09 -0.05 1.54 -0.00 -1.26 -3.97 118.94 114.64 1i53 s TRP 48 Ca 0.30 -2.08 0.06 0.00 -0.00 0.00 0.00 56.10 54.38 1i53 s TRP 48 Cb 0.07 -1.93 -0.01 0.00 -0.00 0.00 0.00 33.47 31.60 1i53 s TRP 48 CO 0.09 -0.85 -0.23 0.08 -0.00 0.00 0.00 176.95 176.03 1i53 s VAL 49 N 1.17 1.91 -0.12 5.86 1.01 -0.00 -1.86 120.40 128.37 1i53 s VAL 49 Ca -0.04 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 60.96 1i53 s VAL 49 Cb -0.17 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 1i53 s VAL 49 CO -0.08 0.54 -0.16 -0.22 0.00 0.00 0.00 175.10 175.18 1i53 s LEU 50 N -0.18 2.55 0.34 3.92 2.96 -0.08 -1.12 118.68 127.08 1i53 s LEU 50 Ca -0.02 -0.38 -0.11 0.00 -0.22 0.00 0.00 54.13 53.40 1i53 s LEU 50 Cb -0.13 -1.55 0.03 0.00 0.50 0.00 0.00 46.19 45.03 1i53 s LEU 50 CO 0.03 0.17 0.63 -0.94 -1.32 0.00 0.00 176.35 174.92 1i53 s SER 51 N 0.29 0.29 0.66 3.68 1.04 -0.91 -0.24 113.70 118.50 1i53 s SER 51 Ca -0.12 -1.19 -0.13 0.00 0.48 0.00 0.00 55.95 54.99 1i53 s SER 51 Cb -0.16 0.74 -0.00 0.00 0.10 0.00 0.00 66.02 66.70 1i53 s SER 51 CO 0.06 -1.45 1.07 0.42 0.98 0.00 0.00 173.24 174.32 1i53 s THR 52 N -2.94 3.69 0.29 2.02 -4.23 -1.26 -1.24 115.64 111.96 1i53 s THR 52 Ca 0.21 0.69 -0.01 0.00 -1.18 0.00 0.00 61.69 61.40 1i53 s THR 52 Cb -0.03 -3.26 0.27 0.00 1.34 0.00 0.00 72.50 70.82 1i53 s THR 52 CO 0.14 -0.58 1.91 0.00 -0.54 0.00 0.00 174.62 175.55 1i53 h ALA 53 N -0.19 1.45 0.00 3.99 0.00 -1.22 -2.00 119.26 121.30 1i53 h ALA 53 Ca -0.45 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 1i53 h ALA 53 Cb 1.22 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1i53 h ALA 53 CO 0.56 0.42 -0.32 0.00 0.00 0.00 0.00 179.25 179.91 1i53 h ALA 54 N 1.48 1.12 0.00 0.00 0.00 -1.91 -2.87 119.26 117.08 1i53 h ALA 54 Ca 0.39 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1i53 h ALA 54 Cb 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1i53 h ALA 54 CO -0.14 0.40 -0.57 -0.25 0.00 0.00 0.00 179.25 178.69 1i53 n ASP 55 N -3.65 0.71 -0.16 0.00 8.00 -0.81 -4.41 116.55 116.22 1i53 n ASP 55 Ca -0.01 0.16 -0.05 0.00 0.71 0.00 0.00 54.79 55.60 1i53 n ASP 55 Cb 0.44 0.08 0.02 0.00 -0.02 0.00 0.00 41.12 41.64 1i53 n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1i53 h MET 56 N 0.00 -0.13 -0.45 -1.24 1.85 -1.16 -1.92 114.93 111.88 1i53 h MET 56 Ca 0.00 0.01 0.07 0.00 -0.61 0.00 0.00 59.70 59.16 1i53 h MET 56 Cb 0.74 0.03 -0.06 0.00 0.43 0.00 0.00 31.60 32.75 1i53 h MET 56 CO 0.00 -0.09 0.13 0.37 -0.40 0.00 0.00 176.91 176.92 1i53 h GLN 57 N -0.14 0.27 -0.48 0.39 5.75 -1.78 -0.02 115.11 119.11 1i53 h GLN 57 Ca 0.23 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.70 1i53 h GLN 57 Cb 0.50 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.97 1i53 h GLN 57 CO -0.59 0.18 0.25 0.78 -2.65 0.00 0.00 178.83 176.80 1i53 h GLY 58 N 0.28 0.72 0.97 2.39 0.00 -1.72 0.34 103.07 106.05 1i53 h GLY 58 Ca 0.22 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 1i53 h GLY 58 CO -0.25 0.33 0.23 -2.08 0.00 0.00 0.00 176.54 174.76 1i53 h VAL 59 N 0.63 1.17 -0.35 4.60 2.07 -0.89 -0.21 116.25 123.28 1i53 h VAL 59 Ca 0.17 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 1i53 h VAL 59 Cb 0.08 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1i53 h VAL 59 CO -0.02 0.19 0.11 0.58 0.02 0.00 0.00 177.57 178.44 1i53 h VAL 60 N 0.58 1.21 0.16 2.57 2.07 -0.81 0.14 116.25 122.17 1i53 h VAL 60 Ca 0.16 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 1i53 h VAL 60 Cb 0.09 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1i53 h VAL 60 CO -0.02 0.24 -0.07 0.74 0.02 0.00 0.00 177.57 178.47 1i53 h THR 61 N 0.41 0.95 -0.23 2.57 2.02 -0.78 -1.59 112.91 116.26 1i53 h THR 61 Ca 0.11 -0.46 -0.05 0.00 0.77 0.00 0.00 66.41 66.78 1i53 h THR 61 Cb 0.26 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 1i53 h THR 61 CO -0.00 0.11 -0.09 0.44 0.37 0.00 0.00 175.52 176.35 1i53 h ASP 62 N -0.43 0.34 -0.38 4.18 5.19 -1.04 -2.66 116.42 121.62 1i53 h ASP 62 Ca -0.02 -0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 56.30 1i53 h ASP 62 Cb 0.34 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.74 1i53 h ASP 62 CO 0.04 0.47 0.15 1.23 -3.12 0.00 0.00 179.24 178.00 1i53 h GLY 63 N 0.79 0.60 0.86 2.75 0.00 -0.51 -1.96 103.07 105.60 1i53 h GLY 63 Ca 0.07 -0.33 0.03 0.00 0.00 0.00 0.00 47.33 47.10 1i53 h GLY 63 CO 0.02 0.31 0.27 1.98 0.00 0.00 0.00 176.54 179.12 1i53 h MET 64 N 0.46 0.53 0.00 4.80 1.85 -0.97 -1.88 114.93 119.72 1i53 h MET 64 Ca 0.13 -0.03 -0.02 0.00 -0.61 0.00 0.00 59.70 59.17 1i53 h MET 64 Cb 0.19 -0.12 -0.00 0.00 0.43 0.00 0.00 31.60 32.09 1i53 h MET 64 CO -0.01 0.35 -0.08 0.00 -0.40 0.00 0.00 176.91 176.76 1i53 h ALA 65 N 1.22 1.20 -0.05 0.39 0.00 -1.28 -2.53 119.26 118.20 1i53 h ALA 65 Ca 0.19 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 1i53 h ALA 65 Cb 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1i53 h ALA 65 CO -0.10 0.10 -0.72 0.77 0.00 0.00 0.00 179.25 179.31 1i53 h SER 66 N 0.00 0.34 -4.69 0.00 0.02 -0.55 -3.50 113.55 105.16 1i53 h SER 66 Ca -0.00 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1i53 h SER 66 Cb 0.31 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1i53 h SER 66 CO 0.01 0.94 0.00 0.61 -1.14 0.00 0.00 176.83 177.25 1i53 n GLY 67 N 0.52 0.32 0.21 -3.77 0.00 -0.96 -4.50 105.19 97.02 1i53 n GLY 67 Ca -0.03 -1.85 -0.02 0.00 0.00 0.00 0.00 46.02 44.12 1i53 n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1i53 h LEU 68 N 0.00 0.22 -1.94 0.99 5.85 -1.91 0.45 115.31 118.98 1i53 h LEU 68 Ca 0.00 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1i53 h LEU 68 Cb 0.00 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.06 1i53 h LEU 68 CO 0.00 0.15 -0.09 -2.24 -0.34 0.00 0.00 178.44 175.92 1i53 h ASP 69 N 0.39 0.00 -0.49 1.25 2.03 -2.01 -1.92 116.42 115.67 1i53 h ASP 69 Ca 0.26 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.56 1i53 h ASP 69 Cb 0.28 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.78 1i53 h ASP 69 CO -0.25 0.09 0.00 0.29 -1.03 0.00 0.00 179.24 178.33 1i53 n LYS 70 N -3.43 3.95 -2.17 4.15 4.76 -0.91 -4.89 118.16 119.62 1i53 n LYS 70 Ca -0.01 -2.53 -0.20 0.00 -2.87 0.00 0.00 58.31 52.70 1i53 n LYS 70 Cb 0.24 -2.04 -0.03 0.00 -1.84 0.00 0.00 35.03 31.36 1i53 n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1i53 n ASP 71 N 0.62 -5.69 -3.78 4.39 8.00 -0.72 -1.65 116.55 117.72 1i53 n ASP 71 Ca 0.22 0.14 -0.29 0.00 0.71 0.00 0.00 54.79 55.58 1i53 n ASP 71 Cb 0.95 -4.82 0.03 0.00 -0.02 0.00 0.00 41.12 37.26 1i53 n ASP 71 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1i53 n TYR 72 N -3.50 -2.30 -3.98 1.24 4.01 0.10 -4.70 117.16 108.03 1i53 n TYR 72 Ca -0.23 0.86 -0.15 0.00 -0.16 0.00 0.00 57.90 58.21 1i53 n TYR 72 Cb 0.68 -4.02 -0.15 0.00 -0.31 0.00 0.00 39.34 35.54 1i53 n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1i53 s LEU 73 N -7.19 1.67 0.06 7.72 1.43 -0.66 -4.15 118.68 117.57 1i53 s LEU 73 Ca 0.62 -0.04 -0.31 0.00 -1.03 0.00 0.00 54.13 53.37 1i53 s LEU 73 Cb -0.31 -0.17 -0.07 0.00 0.03 0.00 0.00 46.19 45.68 1i53 s LEU 73 CO 0.76 -0.02 1.39 -0.75 0.23 0.00 0.00 176.35 177.96 1i53 s LYS 74 N 0.37 4.31 0.34 1.70 2.20 -1.26 -4.84 119.74 122.55 1i53 s LYS 74 Ca -0.03 2.02 -0.29 0.00 -0.36 0.00 0.00 55.97 57.30 1i53 s LYS 74 Cb -0.06 -3.40 -0.11 0.00 -1.51 0.00 0.00 37.83 32.75 1i53 s LYS 74 CO -0.01 -0.49 1.55 -2.14 -0.36 0.00 0.00 175.35 173.90 1i53 s PRO 75 N 1.67 4.11 -1.42 4.03 0.02 -1.26 -2.76 135.00 139.38 1i53 s PRO 75 Ca 0.64 2.59 -0.08 0.00 0.02 0.00 0.00 61.00 64.17 1i53 s PRO 75 Cb -0.34 -2.99 0.01 0.00 0.02 0.00 0.00 34.50 31.20 1i53 s PRO 75 CO 0.29 -0.59 1.03 -3.47 -0.33 0.00 0.00 177.00 173.93 1i53 n ASP 76 N 1.29 -6.26 -4.61 2.53 2.03 -1.26 -4.90 116.55 105.38 1i53 n ASP 76 Ca 0.05 -0.49 -0.43 0.00 0.52 0.00 0.00 54.79 54.44 1i53 n ASP 76 Cb 0.38 -4.96 -0.02 0.00 -0.72 0.00 0.00 41.12 35.80 1i53 n ASP 76 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1i53 s ASP 77 N -3.16 6.48 0.06 1.67 -1.08 -1.11 -4.86 116.67 114.66 1i53 s ASP 77 Ca 0.52 0.83 0.15 0.00 -0.52 0.00 0.00 52.55 53.53 1i53 s ASP 77 Cb -0.23 -2.54 0.63 0.00 -1.46 0.00 0.00 42.92 39.31 1i53 s ASP 77 CO 0.65 -1.31 1.46 -1.54 0.52 0.00 0.00 175.17 174.94 1i53 n SER 78 N 8.33 0.14 0.14 -0.34 3.41 -1.26 -2.31 113.62 121.73 1i53 n SER 78 Ca 0.15 0.54 0.12 0.00 -0.26 0.00 0.00 58.87 59.42 1i53 n SER 78 Cb 0.48 -0.57 0.09 0.00 -0.26 0.00 0.00 64.21 63.95 1i53 n SER 78 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1i53 h ARG 79 N 0.00 0.00 -6.11 4.33 3.08 -1.97 -3.45 114.38 110.26 1i53 h ARG 79 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 1i53 h ARG 79 Cb 0.23 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.21 1i53 h ARG 79 CO 0.00 0.00 0.73 0.08 -1.07 0.00 0.00 179.97 179.71 1i53 s VAL 80 N -3.28 4.63 0.03 2.04 1.01 -0.98 -4.43 120.40 119.42 1i53 s VAL 80 Ca 0.03 1.73 -0.02 0.00 0.00 0.00 0.00 61.98 63.73 1i53 s VAL 80 Cb 0.08 -4.32 -0.27 0.00 0.00 0.00 0.00 36.38 31.88 1i53 s VAL 80 CO 0.73 -0.31 0.97 0.40 0.00 0.00 0.00 175.10 176.89 1i53 h ILE 81 N 5.60 1.29 -2.17 2.22 2.04 -0.93 -3.48 117.51 122.08 1i53 h ILE 81 Ca -0.21 -2.92 -0.07 0.00 1.00 0.00 0.00 64.86 62.66 1i53 h ILE 81 Cb 1.07 2.81 -0.19 0.00 -0.74 0.00 0.00 36.82 39.77 1i53 h ILE 81 CO 0.98 0.84 0.11 0.00 0.00 0.00 0.00 178.15 180.08 1i53 s ALA 82 N -2.64 -1.61 -0.17 1.87 0.00 -1.22 -4.95 121.76 113.05 1i53 s ALA 82 Ca -0.06 1.16 -0.22 0.00 0.00 0.00 0.00 51.96 52.84 1i53 s ALA 82 Cb 0.07 0.00 0.06 0.00 0.00 0.00 0.00 23.12 23.25 1i53 s ALA 82 CO 0.86 -0.35 0.58 1.14 0.00 0.00 0.00 175.76 177.99 1i53 s GLN 83 N -1.20 0.75 0.50 0.00 -2.07 -1.26 -0.90 119.66 115.48 1i53 s GLN 83 Ca -0.11 0.63 0.09 0.00 -1.82 0.00 0.00 55.36 54.14 1i53 s GLN 83 Cb -0.01 0.36 0.05 0.00 -1.09 0.00 0.00 33.01 32.32 1i53 s GLN 83 CO 0.09 -0.13 0.65 0.95 -1.32 0.00 0.00 175.29 175.53 1i53 s THR 84 N -0.10 2.51 0.70 3.63 -4.23 -0.78 -4.82 115.64 112.55 1i53 s THR 84 Ca -0.03 -1.05 -0.07 0.00 -1.18 0.00 0.00 61.69 59.36 1i53 s THR 84 Cb -0.03 -2.56 0.05 0.00 1.34 0.00 0.00 72.50 71.30 1i53 s THR 84 CO 0.03 0.00 1.02 -1.59 -0.54 0.00 0.00 174.62 173.54 1i53 s LYS 85 N -4.48 2.35 -0.12 3.99 -2.85 -1.26 -4.58 119.74 112.79 1i53 s LYS 85 Ca 0.57 -0.12 -0.27 0.00 -1.00 0.00 0.00 55.97 55.15 1i53 s LYS 85 Cb -0.07 -2.15 -0.02 0.00 -2.06 0.00 0.00 37.83 33.53 1i53 s LYS 85 CO 0.35 -1.17 0.91 -1.17 0.10 0.00 0.00 175.35 174.37 1i53 s LEU 86 N -5.25 4.24 0.24 2.77 2.96 -1.26 -4.46 118.68 117.91 1i53 s LEU 86 Ca 0.59 1.37 0.11 0.00 -0.22 0.00 0.00 54.13 55.99 1i53 s LEU 86 Cb -0.11 -3.39 -0.05 0.00 0.50 0.00 0.00 46.19 43.15 1i53 s LEU 86 CO 0.46 -0.38 -0.21 0.27 -1.32 0.00 0.00 176.35 175.17 1i53 s ILE 87 N 1.84 2.37 0.21 6.68 -4.36 -0.09 -4.88 121.20 122.99 1i53 s ILE 87 Ca 0.44 -2.22 0.01 0.00 -0.26 0.00 0.00 60.65 58.62 1i53 s ILE 87 Cb -0.18 -2.20 0.01 0.00 1.25 0.00 0.00 42.46 41.35 1i53 s ILE 87 CO 0.17 -0.28 0.11 0.61 0.24 0.00 0.00 174.94 175.79 1i53 n GLY 88 N -0.20 3.22 3.68 6.27 0.00 -1.26 -1.04 105.19 115.86 1i53 n GLY 88 Ca -0.09 -2.23 -0.43 0.00 0.00 0.00 0.00 46.02 43.27 1i53 n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1i53 n SER 89 N -1.71 2.52 0.00 1.61 3.41 -0.62 -2.08 113.62 116.75 1i53 n SER 89 Ca -0.03 1.20 0.00 0.00 -0.26 0.00 0.00 58.87 59.78 1i53 n SER 89 Cb 0.24 -1.45 0.00 0.00 -0.26 0.00 0.00 64.21 62.75 1i53 n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i53 n GLY 90 N 0.93 2.94 3.97 5.00 0.00 0.94 -4.97 105.19 113.99 1i53 n GLY 90 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 1i53 n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i53 s GLU 91 N 0.00 2.52 0.09 1.61 2.02 -0.89 -4.93 118.70 119.13 1i53 s GLU 91 Ca 0.00 -0.76 -0.21 0.00 0.02 0.00 0.00 54.97 54.02 1i53 s GLU 91 Cb 0.00 -2.47 0.05 0.00 0.10 0.00 0.00 34.13 31.81 1i53 s GLU 91 CO 0.00 -0.74 0.51 -1.59 0.02 0.00 0.00 175.26 173.46 1i53 s LYS 92 N -4.78 1.09 -0.08 1.61 -2.85 -1.26 -2.43 119.74 111.03 1i53 s LYS 92 Ca 0.57 -0.39 -0.30 0.00 -1.00 0.00 0.00 55.97 54.86 1i53 s LYS 92 Cb -0.10 0.49 0.07 0.00 -2.06 0.00 0.00 37.83 36.23 1i53 s LYS 92 CO 0.39 -0.42 0.67 0.34 0.10 0.00 0.00 175.35 176.43 1i53 s ASP 93 N -2.32 -0.66 0.14 0.03 2.15 0.04 -5.00 116.67 111.05 1i53 s ASP 93 Ca -0.02 0.81 0.08 0.00 0.43 0.00 0.00 52.55 53.85 1i53 s ASP 93 Cb -0.00 0.68 -0.04 0.00 -0.30 0.00 0.00 42.92 43.26 1i53 s ASP 93 CO -0.06 -0.55 -0.17 -0.44 -0.17 0.00 0.00 175.17 173.78 1i53 s SER 94 N -0.94 2.45 -0.07 -0.34 0.01 -1.26 -0.15 113.70 113.40 1i53 s SER 94 Ca -0.09 -0.81 -0.06 0.00 1.31 0.00 0.00 55.95 56.30 1i53 s SER 94 Cb -0.01 -0.13 0.02 0.00 0.21 0.00 0.00 66.02 66.11 1i53 s SER 94 CO 0.08 -0.05 0.17 0.54 0.41 0.00 0.00 173.24 174.40 1i53 s VAL 95 N -1.90 -0.01 -0.00 3.43 0.11 -0.77 -4.91 120.40 116.35 1i53 s VAL 95 Ca 0.12 0.02 0.08 0.00 -2.93 0.00 0.00 61.98 59.27 1i53 s VAL 95 Cb -0.06 -0.25 -0.02 0.00 -1.53 0.00 0.00 36.38 34.51 1i53 s VAL 95 CO 0.05 0.01 -0.25 -0.89 -3.33 0.00 0.00 175.10 170.68 1i53 s THR 96 N 0.23 2.13 0.05 5.04 2.01 -1.26 -1.35 115.64 122.49 1i53 s THR 96 Ca -0.01 -1.16 -0.00 0.00 0.31 0.00 0.00 61.69 60.82 1i53 s THR 96 Cb -0.02 -1.76 -0.04 0.00 0.01 0.00 0.00 72.50 70.69 1i53 s THR 96 CO -0.01 0.52 -0.04 0.72 -0.69 0.00 0.00 174.62 175.13 1i53 s PHE 97 N -0.67 0.53 -0.14 4.92 -0.71 -0.49 -4.97 117.98 116.45 1i53 s PHE 97 Ca 0.11 -0.94 -0.29 0.00 -1.04 0.00 0.00 56.93 54.76 1i53 s PHE 97 Cb -0.10 -0.38 -0.01 0.00 -1.21 0.00 0.00 43.02 41.32 1i53 s PHE 97 CO -0.00 -0.31 1.15 -0.51 -1.34 0.00 0.00 175.22 174.22 1i53 s ASP 98 N -2.65 7.06 0.64 1.98 1.01 -1.26 -1.48 116.67 121.96 1i53 s ASP 98 Ca 0.03 1.63 0.37 0.00 0.71 0.00 0.00 52.55 55.29 1i53 s ASP 98 Cb 0.04 -2.55 2.08 0.00 1.01 0.00 0.00 42.92 43.50 1i53 s ASP 98 CO -0.07 -0.64 2.26 0.58 0.21 0.00 0.00 175.17 177.50 1i53 h VAL 99 N 5.28 0.21 0.00 -1.27 2.07 -1.58 -0.63 116.25 120.33 1i53 h VAL 99 Ca -0.28 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1i53 h VAL 99 Cb 1.12 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1i53 h VAL 99 CO 0.93 0.00 0.00 0.77 0.02 0.00 0.00 177.57 179.29 1i53 h SER 100 N 0.00 0.00 0.99 0.57 4.64 -1.90 -1.56 113.55 116.30 1i53 h SER 100 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1i53 h SER 100 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1i53 h SER 100 CO -0.00 0.00 0.00 0.11 -0.87 0.00 0.00 176.83 176.07 1i53 h LYS 101 N 0.00 0.00 -5.81 4.77 1.79 -1.51 -3.40 116.57 112.41 1i53 h LYS 101 Ca 0.00 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.86 1i53 h LYS 101 Cb 0.20 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 30.73 1i53 h LYS 101 CO 0.00 0.00 0.53 -0.51 -1.08 0.00 0.00 179.45 178.39 1i53 s LEU 102 N -5.94 4.16 0.28 2.94 1.43 -0.59 -5.03 118.68 115.94 1i53 s LEU 102 Ca 0.02 -0.38 -0.26 0.00 -1.03 0.00 0.00 54.13 52.48 1i53 s LEU 102 Cb 0.09 -2.81 -0.09 0.00 0.03 0.00 0.00 46.19 43.40 1i53 s LEU 102 CO 0.52 -1.20 0.90 -0.75 0.23 0.00 0.00 176.35 176.06 1i53 s LYS 103 N 3.85 4.60 0.29 1.70 2.20 -1.26 -5.01 119.74 126.11 1i53 s LYS 103 Ca 0.30 1.29 -0.30 0.00 -0.36 0.00 0.00 55.97 56.90 1i53 s LYS 103 Cb -0.13 -2.94 -0.11 0.00 -1.51 0.00 0.00 37.83 33.14 1i53 s LYS 103 CO 0.19 0.36 1.57 -1.83 -0.36 0.00 0.00 175.35 175.28 1i53 s GLU 104 N -1.80 4.14 0.00 4.03 4.04 -1.26 -2.44 118.70 125.41 1i53 s GLU 104 Ca 0.46 2.55 0.00 0.00 0.04 0.00 0.00 54.97 58.02 1i53 s GLU 104 Cb -0.20 -3.03 0.00 0.00 0.02 0.00 0.00 34.13 30.92 1i53 s GLU 104 CO 0.25 -0.60 0.00 0.41 -1.84 0.00 0.00 175.26 173.48 1i53 n GLY 105 N 2.07 2.59 3.83 -3.83 0.00 -1.26 -5.02 105.19 103.57 1i53 n GLY 105 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1i53 n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1i53 s GLU 106 N -0.11 4.17 -0.21 1.61 2.56 -1.02 -5.05 118.70 120.65 1i53 s GLU 106 Ca 0.00 0.96 -0.14 0.00 0.00 0.00 0.00 54.97 55.79 1i53 s GLU 106 Cb 0.00 -2.34 -0.04 0.00 2.00 0.00 0.00 34.13 33.75 1i53 s GLU 106 CO 0.00 0.07 0.30 -1.01 -0.56 0.00 0.00 175.26 174.06 1i53 s HIS 107 N -2.05 3.36 0.11 5.30 3.76 -1.26 -4.97 115.29 119.53 1i53 s HIS 107 Ca 0.58 0.46 0.09 0.00 -0.15 0.00 0.00 55.06 56.04 1i53 s HIS 107 Cb -0.10 -2.42 -0.04 0.00 1.11 0.00 0.00 32.58 31.13 1i53 s HIS 107 CO 0.16 0.03 -0.21 0.71 -0.85 0.00 0.00 174.74 174.58 1i53 s TYR 108 N 1.17 2.48 -0.00 1.40 2.02 -1.26 -0.75 117.35 122.41 1i53 s TYR 108 Ca 0.14 -0.30 0.01 0.00 -0.37 0.00 0.00 57.07 56.56 1i53 s TYR 108 Cb -0.14 -1.34 0.00 0.00 -0.40 0.00 0.00 41.96 40.08 1i53 s TYR 108 CO 0.06 0.34 -0.03 -1.64 -1.57 0.00 0.00 175.55 172.72 1i53 s MET 109 N -1.98 0.23 0.13 -0.62 -1.94 -0.38 -2.35 119.30 112.40 1i53 s MET 109 Ca 0.16 -0.09 0.05 0.00 -1.71 0.00 0.00 55.69 54.11 1i53 s MET 109 Cb -0.10 -0.24 -0.04 0.00 2.01 0.00 0.00 34.83 36.45 1i53 s MET 109 CO 0.08 0.05 0.03 -0.59 -0.01 0.00 0.00 175.02 174.57 1i53 s PHE 110 N 0.02 2.99 0.09 -0.03 -0.71 0.19 -2.15 117.98 118.38 1i53 s PHE 110 Ca 0.00 -0.05 -0.27 0.00 -1.04 0.00 0.00 56.93 55.57 1i53 s PHE 110 Cb -0.02 -1.49 0.08 0.00 -1.21 0.00 0.00 43.02 40.38 1i53 s PHE 110 CO -0.00 0.50 1.01 -0.59 -1.34 0.00 0.00 175.22 174.80 1i53 s PHE 111 N -1.51 -0.15 -0.14 3.49 -0.71 -0.27 -1.32 117.98 117.37 1i53 s PHE 111 Ca 0.27 -0.10 -0.05 0.00 -1.04 0.00 0.00 56.93 56.01 1i53 s PHE 111 Cb -0.11 0.61 -0.04 0.00 -1.21 0.00 0.00 43.02 42.27 1i53 s PHE 111 CO 0.19 -0.68 0.05 0.00 -1.34 0.00 0.00 175.22 173.44 1i53 n THR 113 N 2.86 0.55 -1.91 0.00 -2.24 -1.26 -3.36 114.28 108.93 1i53 n THR 113 Ca -0.18 -0.66 -0.41 0.00 -2.27 0.00 0.00 64.05 60.53 1i53 n THR 113 Cb 0.53 0.55 -0.02 0.00 -2.10 0.00 0.00 70.33 69.30 1i53 n THR 113 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1i53 s PHE 114 N -1.45 2.85 -0.49 4.78 2.19 -1.26 -4.44 117.98 120.16 1i53 s PHE 114 Ca 0.37 1.01 -0.45 0.00 0.33 0.00 0.00 56.93 58.18 1i53 s PHE 114 Cb 0.20 -3.93 -0.19 0.00 -1.31 0.00 0.00 43.02 37.79 1i53 s PHE 114 CO 0.27 -2.95 1.82 -2.30 1.83 0.00 0.00 175.22 173.90 1i53 n PRO 115 N 1.77 0.06 0.00 10.12 -0.02 -1.26 -1.17 135.00 144.49 1i53 n PRO 115 Ca 0.05 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1i53 n PRO 115 Cb 0.39 -1.54 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 1i53 n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i53 n GLY 116 N 5.41 2.86 0.30 -1.23 0.00 -1.26 -4.90 105.19 106.36 1i53 n GLY 116 Ca 0.40 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.43 1i53 n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1i53 h HIS 117 N 0.00 0.60 0.00 1.61 3.86 -1.41 -2.93 115.15 116.88 1i53 h HIS 117 Ca 0.00 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1i53 h HIS 117 Cb 0.00 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.28 1i53 h HIS 117 CO 0.00 0.48 0.06 -1.13 0.86 0.00 0.00 177.93 178.20 1i53 n SER 118 N -4.36 0.53 0.11 2.45 3.41 -1.21 0.16 113.62 114.71 1i53 n SER 118 Ca 0.03 0.73 0.03 0.00 -0.26 0.00 0.00 58.87 59.40 1i53 n SER 118 Cb 0.15 -0.78 0.40 0.00 -0.26 0.00 0.00 64.21 63.73 1i53 n SER 118 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i53 h ALA 119 N 1.84 1.54 0.00 7.33 0.00 -1.87 -3.35 119.26 124.75 1i53 h ALA 119 Ca 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1i53 h ALA 119 Cb 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1i53 h ALA 119 CO 0.00 0.33 -1.13 1.28 0.00 0.00 0.00 179.25 179.73 1i53 n LEU 120 N -4.31 2.74 -4.49 0.00 4.32 -0.54 -4.90 117.00 109.83 1i53 n LEU 120 Ca -0.00 -0.01 -0.44 0.00 -0.02 0.00 0.00 56.01 55.54 1i53 n LEU 120 Cb 0.24 -0.07 0.00 0.00 -1.62 0.00 0.00 43.42 41.97 1i53 n LEU 120 CO 0.38 0.50 1.59 0.23 -1.22 0.00 0.00 177.39 178.86 1i53 n MET 121 N -2.52 3.32 -3.53 3.23 2.81 0.12 -4.77 117.12 115.79 1i53 n MET 121 Ca -0.04 -3.67 -0.11 0.00 -1.81 0.00 0.00 57.70 52.07 1i53 n MET 121 Cb 0.54 -3.18 -0.03 0.00 -0.71 0.00 0.00 33.22 29.85 1i53 n MET 121 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1i53 s LYS 122 N 2.34 1.21 0.05 0.03 -2.85 -1.26 -2.31 119.74 116.95 1i53 s LYS 122 Ca 0.46 -0.59 -0.28 0.00 -1.00 0.00 0.00 55.97 54.56 1i53 s LYS 122 Cb -0.01 0.54 0.10 0.00 -2.06 0.00 0.00 37.83 36.40 1i53 s LYS 122 CO 0.03 -0.51 1.17 0.20 0.10 0.00 0.00 175.35 176.34 1i53 s GLY 123 N -2.78 -0.30 0.37 0.59 0.00 -0.43 -4.73 107.32 100.04 1i53 s GLY 123 Ca 0.02 0.39 -0.03 0.00 0.00 0.00 0.00 44.72 45.10 1i53 s GLY 123 CO -0.12 0.67 0.62 -0.51 0.00 0.00 0.00 173.10 173.76 1i53 s THR 124 N -2.64 5.02 -0.13 0.90 -4.23 -1.00 -0.63 115.64 112.93 1i53 s THR 124 Ca 0.15 -0.10 -0.03 0.00 -1.18 0.00 0.00 61.69 60.54 1i53 s THR 124 Cb 0.02 -3.82 0.05 0.00 1.34 0.00 0.00 72.50 70.09 1i53 s THR 124 CO -0.01 -0.57 0.05 -0.22 -0.54 0.00 0.00 174.62 173.34 1i53 s LEU 125 N -4.19 0.55 -0.02 4.79 0.20 -0.99 -0.64 118.68 118.38 1i53 s LEU 125 Ca 0.43 -0.40 0.08 0.00 0.69 0.00 0.00 54.13 54.93 1i53 s LEU 125 Cb -0.10 -0.35 -0.02 0.00 -0.43 0.00 0.00 46.19 45.29 1i53 s LEU 125 CO 0.36 -0.29 -0.25 0.42 -0.29 0.00 0.00 176.35 176.31 1i53 s THR 126 N 2.04 1.97 -0.31 3.68 -4.23 -0.11 -4.06 115.64 114.62 1i53 s THR 126 Ca 0.03 -1.07 -0.27 0.00 -1.18 0.00 0.00 61.69 59.20 1i53 s THR 126 Cb -0.15 -1.63 0.01 0.00 1.34 0.00 0.00 72.50 72.07 1i53 s THR 126 CO -0.07 0.55 0.97 -0.22 -0.54 0.00 0.00 174.62 175.31 1i53 s LEU 127 N -0.60 4.00 0.00 4.79 2.96 -1.26 -1.32 118.68 127.26 1i53 s LEU 127 Ca 0.10 0.92 0.00 0.00 -0.22 0.00 0.00 54.13 54.92 1i53 s LEU 127 Cb -0.10 -3.37 0.00 0.00 0.50 0.00 0.00 46.19 43.23 1i53 s LEU 127 CO -0.01 -0.77 0.41 1.17 -1.32 0.00 0.00 176.35 175.83