#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h2o s VAL 2 N 0.00 1.74 0.51 1.61 1.01 -1.26 -3.47 120.40 120.54 1h2o s VAL 2 Ca 0.00 -0.76 -0.17 0.00 0.00 0.00 0.00 61.98 61.05 1h2o s VAL 2 Cb 0.00 -1.59 -0.08 0.00 0.00 0.00 0.00 36.38 34.71 1h2o s VAL 2 CO 0.00 0.49 0.98 -0.36 0.00 0.00 0.00 175.10 176.20 1h2o s PHE 3 N 1.17 3.44 -0.33 5.22 0.40 -0.16 -4.82 117.98 122.90 1h2o s PHE 3 Ca -0.01 1.46 -0.01 0.00 -0.60 0.00 0.00 56.93 57.77 1h2o s PHE 3 Cb -0.14 -2.78 0.12 0.00 0.51 0.00 0.00 43.02 40.73 1h2o s PHE 3 CO -0.07 -0.34 0.17 0.99 0.70 0.00 0.00 175.22 176.67 1h2o s THR 4 N -2.59 0.24 -0.07 0.64 2.01 -1.26 -2.34 115.64 112.27 1h2o s THR 4 Ca 0.59 -1.41 0.04 0.00 0.31 0.00 0.00 61.69 61.21 1h2o s THR 4 Cb -0.10 -1.19 -0.02 0.00 0.01 0.00 0.00 72.50 71.20 1h2o s THR 4 CO 0.30 -0.86 -0.18 -0.31 -0.69 0.00 0.00 174.62 172.88 1h2o s TYR 5 N 1.43 2.63 0.05 4.92 2.02 -0.70 -4.98 117.35 122.72 1h2o s TYR 5 Ca 0.14 -0.44 0.02 0.00 -0.37 0.00 0.00 57.07 56.42 1h2o s TYR 5 Cb -0.20 -1.66 -0.03 0.00 -0.40 0.00 0.00 41.96 39.67 1h2o s TYR 5 CO -0.15 -0.03 -0.08 -1.83 -1.57 0.00 0.00 175.55 171.89 1h2o s GLU 6 N -0.32 0.59 0.23 -0.62 -1.05 -1.26 -0.36 118.70 115.91 1h2o s GLU 6 Ca 0.02 -0.87 0.11 0.00 -0.15 0.00 0.00 54.97 54.08 1h2o s GLU 6 Cb -0.13 -0.28 -0.05 0.00 -0.44 0.00 0.00 34.13 33.24 1h2o s GLU 6 CO 0.02 0.04 -0.20 -1.12 0.95 0.00 0.00 175.26 174.95 1h2o s SER 7 N -1.86 3.32 -0.07 0.83 0.01 0.57 -4.94 113.70 111.56 1h2o s SER 7 Ca -0.06 -0.96 -0.01 0.00 1.31 0.00 0.00 55.95 56.23 1h2o s SER 7 Cb -0.07 -0.25 0.03 0.00 0.21 0.00 0.00 66.02 65.94 1h2o s SER 7 CO -0.01 0.03 -0.00 -1.61 0.41 0.00 0.00 173.24 172.06 1h2o s GLU 8 N -3.21 0.63 0.15 12.44 2.02 -1.26 -0.68 118.70 128.78 1h2o s GLU 8 Ca 0.25 0.09 0.00 0.00 0.02 0.00 0.00 54.97 55.33 1h2o s GLU 8 Cb -0.05 -0.95 -0.00 0.00 0.10 0.00 0.00 34.13 33.22 1h2o s GLU 8 CO 0.12 -0.28 0.18 1.97 0.02 0.00 0.00 175.26 177.27 1h2o n PHE 9 N 5.02 -0.71 -4.20 1.61 -1.74 -0.57 -4.99 117.46 111.89 1h2o n PHE 9 Ca -0.09 -1.06 -0.14 0.00 -0.56 0.00 0.00 57.45 55.60 1h2o n PHE 9 Cb 0.50 0.20 -0.09 0.00 1.52 0.00 0.00 39.48 41.62 1h2o n PHE 9 CO 0.00 0.00 0.00 0.95 -0.56 0.00 0.00 176.76 177.15 1h2o s THR 10 N -2.59 0.00 -0.23 1.97 -4.23 -1.26 0.13 115.64 109.43 1h2o s THR 10 Ca 0.14 -1.93 -0.17 0.00 -1.18 0.00 0.00 61.69 58.55 1h2o s THR 10 Cb -0.00 -2.49 0.06 0.00 1.34 0.00 0.00 72.50 71.42 1h2o s THR 10 CO 0.10 0.00 0.59 -0.94 -0.54 0.00 0.00 174.62 173.83 1h2o s SER 11 N -3.21 -0.70 0.45 3.99 1.04 0.38 -4.86 113.70 110.79 1h2o s SER 11 Ca 0.38 1.24 0.13 0.00 0.48 0.00 0.00 55.95 58.18 1h2o s SER 11 Cb 0.05 1.19 1.02 0.00 0.10 0.00 0.00 66.02 68.38 1h2o s SER 11 CO 0.17 -0.22 2.04 -0.33 0.98 0.00 0.00 173.24 175.88 1h2o h GLU 12 N 6.11 0.13 -7.11 4.02 4.39 -1.92 0.80 114.58 121.00 1h2o h GLU 12 Ca -0.30 -0.02 -0.53 0.00 0.34 0.00 0.00 59.36 58.85 1h2o h GLU 12 Cb 1.19 -0.02 0.12 0.00 -0.10 0.00 0.00 28.75 29.94 1h2o h GLU 12 CO 0.17 0.19 0.47 0.42 -1.16 0.00 0.00 179.01 179.09 1h2o s ILE 13 N -4.92 2.55 0.40 3.13 1.09 -1.26 -4.49 121.20 117.69 1h2o s ILE 13 Ca -0.05 0.33 -0.26 0.00 -1.10 0.00 0.00 60.65 59.57 1h2o s ILE 13 Cb 0.16 -3.09 -0.09 0.00 -1.06 0.00 0.00 42.46 38.38 1h2o s ILE 13 CO 0.70 -0.08 1.23 -2.16 -0.10 0.00 0.00 174.94 174.53 1h2o s PRO 14 N -3.42 4.04 0.26 2.79 0.04 -1.26 -4.22 135.00 133.22 1h2o s PRO 14 Ca 0.77 1.99 0.08 0.00 0.04 0.00 0.00 61.00 63.89 1h2o s PRO 14 Cb -0.31 -2.74 0.32 0.00 0.04 0.00 0.00 34.50 31.81 1h2o s PRO 14 CO 0.35 -0.38 1.59 -1.00 0.04 0.00 0.00 177.00 177.61 1h2o h PRO 15 N 2.72 0.08 0.00 0.56 0.13 -1.92 -2.76 132.00 130.81 1h2o h PRO 15 Ca -0.49 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 64.56 1h2o h PRO 15 Cb 1.24 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1h2o h PRO 15 CO 0.63 0.67 -0.13 -1.00 -0.23 0.00 0.00 178.00 177.94 1h2o h PRO 16 N 0.06 0.00 0.15 1.56 0.13 -1.97 0.46 132.00 132.39 1h2o h PRO 16 Ca -0.01 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.85 1h2o h PRO 16 Cb 1.10 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.24 1h2o h PRO 16 CO 0.09 0.13 -1.31 0.00 -0.23 0.00 0.00 178.00 176.67 1h2o h ARG 17 N 0.00 0.32 -0.08 0.86 3.08 -1.90 -2.83 114.38 113.83 1h2o h ARG 17 Ca -0.00 -0.55 -0.14 0.00 0.07 0.00 0.00 59.98 59.36 1h2o h ARG 17 Cb 0.58 0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 1h2o h ARG 17 CO 0.02 1.26 -0.56 1.25 -1.07 0.00 0.00 179.97 180.87 1h2o h LEU 18 N -0.20 0.27 0.72 3.04 7.12 -1.31 -2.25 115.31 122.70 1h2o h LEU 18 Ca -0.26 -0.14 -0.04 0.00 0.13 0.00 0.00 57.88 57.57 1h2o h LEU 18 Cb 1.84 -0.08 0.01 0.00 -0.53 0.00 0.00 40.66 41.90 1h2o h LEU 18 CO 0.13 0.77 -0.35 0.15 -0.13 0.00 0.00 178.44 179.02 1h2o h PHE 19 N 0.18 -0.90 -0.74 1.25 3.57 -0.17 0.80 116.94 120.93 1h2o h PHE 19 Ca -0.00 -0.02 0.17 0.00 3.53 0.00 0.00 57.97 61.65 1h2o h PHE 19 Cb 1.05 0.30 -0.04 0.00 2.79 0.00 0.00 35.95 40.04 1h2o h PHE 19 CO 0.02 -0.56 0.51 0.87 -2.23 0.00 0.00 178.31 176.92 1h2o h LYS 20 N -1.10 0.26 -0.03 1.11 1.57 -1.55 0.16 116.57 117.00 1h2o h LYS 20 Ca -0.10 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.60 1h2o h LYS 20 Cb 0.75 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1h2o h LYS 20 CO 0.16 0.17 -0.22 0.00 -0.57 0.00 0.00 179.45 178.99 1h2o h ALA 21 N 1.65 0.06 -0.19 3.86 0.00 -1.05 0.51 119.26 124.10 1h2o h ALA 21 Ca 0.37 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1h2o h ALA 21 Cb 1.04 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1h2o h ALA 21 CO -0.09 0.07 -0.02 0.35 0.00 0.00 0.00 179.25 179.56 1h2o h PHE 22 N -0.40 0.38 0.00 0.00 3.57 0.17 -0.12 116.94 120.54 1h2o h PHE 22 Ca -0.02 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.41 1h2o h PHE 22 Cb 0.92 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.56 1h2o h PHE 22 CO 0.16 0.57 -0.85 0.28 -2.23 0.00 0.00 178.31 176.24 1h2o n VAL 23 N -4.68 1.43 0.94 1.41 0.31 0.45 -2.68 118.33 115.52 1h2o n VAL 23 Ca -0.05 0.17 0.08 0.00 -0.01 0.00 0.00 64.34 64.53 1h2o n VAL 23 Cb 0.24 -2.34 0.45 0.00 -0.91 0.00 0.00 33.84 31.29 1h2o n VAL 23 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1h2o n LEU 24 N -4.44 0.00 -0.05 7.52 4.32 -0.14 -3.08 117.00 121.13 1h2o n LEU 24 Ca -0.12 0.01 0.00 0.00 -0.02 0.00 0.00 56.01 55.88 1h2o n LEU 24 Cb 0.44 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.23 1h2o n LEU 24 CO 0.18 -0.01 0.18 -0.67 -1.22 0.00 0.00 177.39 175.85 1h2o n ASP 25 N -1.01 0.00 0.30 -1.43 2.03 0.16 -4.85 116.55 111.75 1h2o n ASP 25 Ca 0.11 -1.07 0.14 0.00 0.52 0.00 0.00 54.79 54.50 1h2o n ASP 25 Cb 0.05 -0.01 0.74 0.00 -0.72 0.00 0.00 41.12 41.18 1h2o n ASP 25 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1h2o h ALA 26 N 0.00 1.30 0.00 -1.67 0.00 -0.79 0.74 119.26 118.84 1h2o h ALA 26 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1h2o h ALA 26 Cb 1.03 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1h2o h ALA 26 CO 0.00 -0.30 -0.69 -0.44 0.00 0.00 0.00 179.25 177.82 1h2o h ASP 27 N 0.00 0.00 0.00 0.00 3.32 -1.85 -3.33 116.42 114.56 1h2o h ASP 27 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1h2o h ASP 27 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.18 1h2o h ASP 27 CO 0.00 0.69 -0.05 -0.46 -1.72 0.00 0.00 179.24 177.69 1h2o n ASN 28 N -3.27 1.36 -0.11 6.45 0.23 0.68 -4.43 115.26 116.17 1h2o n ASN 28 Ca 0.01 -1.97 -0.20 0.00 -0.53 0.00 0.00 54.58 51.90 1h2o n ASN 28 Cb 0.81 -0.11 -0.09 0.00 -2.08 0.00 0.00 39.78 38.32 1h2o n ASN 28 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 1h2o n LEU 29 N -0.51 2.24 -0.20 -4.53 -0.00 0.23 -4.14 117.00 110.09 1h2o n LEU 29 Ca 0.03 0.09 -0.08 0.00 -0.00 0.00 0.00 56.01 56.05 1h2o n LEU 29 Cb 0.44 -0.69 0.02 0.00 -0.00 0.00 0.00 43.42 43.18 1h2o n LEU 29 CO 0.00 0.65 0.90 0.58 -0.00 0.00 0.00 177.39 179.52 1h2o h VAL 30 N -0.43 1.25 0.00 1.96 2.07 -1.76 -1.18 116.25 118.16 1h2o h VAL 30 Ca -0.52 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.08 1h2o h VAL 30 Cb 1.61 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1h2o h VAL 30 CO -0.22 0.34 0.00 -0.81 0.02 0.00 0.00 177.57 176.90 1h2o n PRO 31 N -4.36 0.94 -0.00 1.57 -0.04 -1.26 -3.08 135.00 128.76 1h2o n PRO 31 Ca 0.03 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1h2o n PRO 31 Cb 0.25 -1.06 -0.01 0.00 -0.04 0.00 0.00 33.50 32.64 1h2o n PRO 31 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1h2o n LYS 32 N -0.56 2.08 -0.06 0.54 5.02 -0.74 -4.64 118.16 119.81 1h2o n LYS 32 Ca 0.03 -0.01 -0.04 0.00 -2.02 0.00 0.00 58.31 56.27 1h2o n LYS 32 Cb 0.01 -1.04 -0.03 0.00 -0.02 0.00 0.00 35.03 33.95 1h2o n LYS 32 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1h2o h ILE 33 N 0.00 0.46 -2.44 -0.18 2.04 -1.19 -3.45 117.51 112.74 1h2o h ILE 33 Ca -0.02 -1.35 -0.35 0.00 1.00 0.00 0.00 64.86 64.14 1h2o h ILE 33 Cb 0.62 0.88 -0.36 0.00 -0.74 0.00 0.00 36.82 37.22 1h2o h ILE 33 CO 0.00 0.16 -0.65 0.00 0.00 0.00 0.00 178.15 177.66 1h2o s ALA 34 N -2.47 -0.21 -1.92 1.87 0.00 -1.18 -4.98 121.76 112.87 1h2o s ALA 34 Ca -0.05 -0.11 0.17 0.00 0.00 0.00 0.00 51.96 51.97 1h2o s ALA 34 Cb -0.01 -1.48 0.99 0.00 0.00 0.00 0.00 23.12 22.62 1h2o s ALA 34 CO 0.18 -1.43 1.43 -0.35 0.00 0.00 0.00 175.76 175.59 1h2o n PRO 35 N 5.31 0.49 0.01 0.00 -0.04 -1.26 -2.42 135.00 137.09 1h2o n PRO 35 Ca -0.04 0.02 0.13 0.00 -0.04 0.00 0.00 63.50 63.57 1h2o n PRO 35 Cb 0.48 -1.50 0.50 0.00 -0.04 0.00 0.00 33.50 32.93 1h2o n PRO 35 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1h2o n GLN 36 N -1.04 0.02 -0.05 0.54 6.02 -1.26 -4.29 117.38 117.32 1h2o n GLN 36 Ca 0.12 0.01 -0.05 0.00 -0.01 0.00 0.00 57.00 57.07 1h2o n GLN 36 Cb 0.07 -1.52 -0.02 0.00 1.02 0.00 0.00 30.24 29.79 1h2o n GLN 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1h2o n ALA 37 N -1.53 0.82 -2.60 -1.58 0.00 -1.01 -4.79 120.51 109.82 1h2o n ALA 37 Ca 0.06 -0.57 -0.27 0.00 0.00 0.00 0.00 53.44 52.67 1h2o n ALA 37 Cb 0.35 0.03 -0.09 0.00 0.00 0.00 0.00 19.45 19.74 1h2o n ALA 37 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1h2o s ILE 38 N -2.22 3.38 -0.05 0.00 1.09 -1.25 -4.13 121.20 118.03 1h2o s ILE 38 Ca -0.18 -1.55 0.06 0.00 -1.10 0.00 0.00 60.65 57.88 1h2o s ILE 38 Cb 0.02 -2.68 -0.08 0.00 -1.06 0.00 0.00 42.46 38.67 1h2o s ILE 38 CO 0.26 -0.10 0.05 0.29 -0.10 0.00 0.00 174.94 175.34 1h2o n LYS 39 N 0.03 2.32 -3.52 2.79 4.76 0.21 -4.55 118.16 120.20 1h2o n LYS 39 Ca -0.11 -0.02 -0.17 0.00 -2.87 0.00 0.00 58.31 55.15 1h2o n LYS 39 Cb 0.55 -1.15 -0.05 0.00 -1.84 0.00 0.00 35.03 32.53 1h2o n LYS 39 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1h2o s HIS 40 N -2.22 -0.61 -0.05 2.13 5.65 -1.20 -4.97 115.29 114.02 1h2o s HIS 40 Ca -0.03 0.94 -0.02 0.00 0.25 0.00 0.00 55.06 56.20 1h2o s HIS 40 Cb 0.02 0.41 0.03 0.00 -1.18 0.00 0.00 32.58 31.87 1h2o s HIS 40 CO 0.25 -0.64 0.03 -1.12 -0.65 0.00 0.00 174.74 172.62 1h2o s SER 41 N -1.47 1.26 -0.20 9.88 0.01 -1.26 -0.75 113.70 121.17 1h2o s SER 41 Ca -0.09 0.01 -0.03 0.00 1.31 0.00 0.00 55.95 57.15 1h2o s SER 41 Cb -0.00 -0.26 0.06 0.00 0.21 0.00 0.00 66.02 66.03 1h2o s SER 41 CO 0.06 -0.22 0.03 -0.70 0.41 0.00 0.00 173.24 172.82 1h2o s GLU 42 N 2.01 0.70 0.23 12.44 2.12 -1.19 -4.84 118.70 130.18 1h2o s GLU 42 Ca 0.04 -0.46 -0.32 0.00 0.36 0.00 0.00 54.97 54.60 1h2o s GLU 42 Cb -0.12 -2.14 -0.13 0.00 0.26 0.00 0.00 34.13 31.99 1h2o s GLU 42 CO -0.04 -0.64 1.47 -0.89 -0.54 0.00 0.00 175.26 174.63 1h2o n ILE 43 N 5.03 0.76 -0.03 -3.70 5.41 -1.26 -2.41 119.36 123.16 1h2o n ILE 43 Ca -0.09 -0.19 0.03 0.00 1.00 0.00 0.00 62.75 63.50 1h2o n ILE 43 Cb 0.47 -1.57 -0.12 0.00 -0.71 0.00 0.00 39.64 37.71 1h2o n ILE 43 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1h2o n LEU 44 N 2.43 0.00 -4.28 1.39 7.94 0.60 -4.86 117.00 120.22 1h2o n LEU 44 Ca 0.12 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 54.86 1h2o n LEU 44 Cb 0.32 0.13 -0.10 0.00 0.53 0.00 0.00 43.42 44.29 1h2o n LEU 44 CO 0.63 0.13 -0.43 0.26 -1.11 0.00 0.00 177.39 176.87 1h2o s TRP 45 N -2.86 1.43 0.00 1.96 0.52 -0.88 -4.83 118.94 114.29 1h2o s TRP 45 Ca -0.06 -0.67 0.00 0.00 0.02 0.00 0.00 56.10 55.39 1h2o s TRP 45 Cb 0.08 -0.70 0.00 0.00 -1.15 0.00 0.00 33.47 31.70 1h2o s TRP 45 CO 0.65 0.19 0.00 0.41 0.02 0.00 0.00 176.95 178.22 1h2o n GLY 46 N -0.17 1.86 0.61 0.98 0.00 -1.26 -3.20 105.19 104.01 1h2o n GLY 46 Ca -0.10 -0.18 -0.00 0.00 0.00 0.00 0.00 46.02 45.73 1h2o n GLY 46 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1h2o n ASP 47 N -0.55 -0.02 0.00 1.61 2.03 -1.26 -4.95 116.55 113.41 1h2o n ASP 47 Ca 0.00 -1.52 0.00 0.00 0.52 0.00 0.00 54.79 53.79 1h2o n ASP 47 Cb 0.00 -0.07 0.00 0.00 -0.72 0.00 0.00 41.12 40.33 1h2o n ASP 47 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1h2o n GLY 48 N 0.03 1.90 1.19 0.27 0.00 -1.26 -5.11 105.19 102.22 1h2o n GLY 48 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 1h2o n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h2o n GLY 49 N 0.00 -2.82 3.71 -0.02 0.00 -1.26 -4.84 105.19 99.96 1h2o n GLY 49 Ca 0.00 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 1h2o n GLY 49 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1h2o s PRO 50 N -3.83 4.38 0.00 1.61 0.04 -1.26 -2.60 135.00 133.33 1h2o s PRO 50 Ca 0.24 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.13 1h2o s PRO 50 Cb -0.03 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 31.13 1h2o s PRO 50 CO 0.19 -0.36 0.00 0.41 0.04 0.00 0.00 177.00 177.28 1h2o n GLY 51 N 3.35 1.33 3.76 0.56 0.00 0.11 -4.97 105.19 109.32 1h2o n GLY 51 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1h2o n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h2o s THR 52 N -2.27 2.78 -0.07 2.61 2.01 -1.07 -4.67 115.64 114.96 1h2o s THR 52 Ca 0.00 0.25 -0.01 0.00 0.31 0.00 0.00 61.69 62.24 1h2o s THR 52 Cb 0.00 -2.86 0.03 0.00 0.01 0.00 0.00 72.50 69.68 1h2o s THR 52 CO 0.00 -0.33 -0.00 -0.63 -0.69 0.00 0.00 174.62 172.97 1h2o s ILE 53 N -3.04 0.40 -0.19 1.82 1.01 -1.19 0.87 121.20 120.87 1h2o s ILE 53 Ca 0.62 0.10 -0.08 0.00 0.00 0.00 0.00 60.65 61.30 1h2o s ILE 53 Cb -0.16 -0.54 -0.04 0.00 0.01 0.00 0.00 42.46 41.72 1h2o s ILE 53 CO 0.56 0.26 0.07 -0.54 0.00 0.00 0.00 174.94 175.29 1h2o s LYS 54 N 1.90 3.96 -0.81 2.79 1.02 0.33 0.22 119.74 129.16 1h2o s LYS 54 Ca 0.04 -0.35 -0.15 0.00 0.02 0.00 0.00 55.97 55.53 1h2o s LYS 54 Cb -0.12 -3.26 0.19 0.00 -0.52 0.00 0.00 37.83 34.12 1h2o s LYS 54 CO -0.05 0.21 0.81 0.21 -0.92 0.00 0.00 175.35 175.61 1h2o s LYS 55 N 0.54 3.51 0.27 1.68 2.20 -1.01 0.20 119.74 127.13 1h2o s LYS 55 Ca 0.04 -2.18 -0.29 0.00 -0.36 0.00 0.00 55.97 53.18 1h2o s LYS 55 Cb -0.13 -4.50 -0.09 0.00 -1.51 0.00 0.00 37.83 31.60 1h2o s LYS 55 CO 0.01 -1.40 0.94 0.42 -0.36 0.00 0.00 175.35 174.96 1h2o s ILE 56 N 0.96 4.12 0.09 5.43 1.01 -0.27 -3.15 121.20 129.39 1h2o s ILE 56 Ca 0.19 1.99 0.10 0.00 0.00 0.00 0.00 60.65 62.93 1h2o s ILE 56 Cb -0.12 -4.21 -0.03 0.00 0.01 0.00 0.00 42.46 38.10 1h2o s ILE 56 CO -0.07 0.37 -0.27 0.42 0.00 0.00 0.00 174.94 175.39 1h2o s THR 57 N -1.34 2.19 0.30 2.92 -4.23 0.07 0.14 115.64 115.70 1h2o s THR 57 Ca 0.44 -1.58 0.09 0.00 -1.18 0.00 0.00 61.69 59.47 1h2o s THR 57 Cb -0.23 -1.91 -0.05 0.00 1.34 0.00 0.00 72.50 71.65 1h2o s THR 57 CO 0.29 0.22 0.01 -0.36 -0.54 0.00 0.00 174.62 174.24 1h2o s PHE 58 N -0.94 2.62 -1.00 3.99 0.08 0.77 0.66 117.98 124.16 1h2o s PHE 58 Ca 0.13 -0.32 0.11 0.00 0.12 0.00 0.00 56.93 56.97 1h2o s PHE 58 Cb -0.10 -1.34 0.28 0.00 -0.57 0.00 0.00 43.02 41.29 1h2o s PHE 58 CO 0.04 0.54 1.21 0.41 -0.10 0.00 0.00 175.22 177.32 1h2o n GLY 59 N -0.93 2.37 3.76 4.36 0.00 -1.26 -4.22 105.19 109.26 1h2o n GLY 59 Ca -0.05 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 1h2o n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1h2o s GLU 60 N -0.99 2.20 1.72 1.61 2.02 -1.26 -5.06 118.70 118.93 1h2o s GLU 60 Ca 0.22 -2.41 0.00 0.00 0.02 0.00 0.00 54.97 52.80 1h2o s GLU 60 Cb 0.12 -1.48 0.00 0.00 0.10 0.00 0.00 34.13 32.87 1h2o s GLU 60 CO 0.16 -0.39 0.00 0.41 0.02 0.00 0.00 175.26 175.46 1h2o n GLY 61 N -1.27 -1.36 3.04 -1.39 0.00 -1.26 -4.63 105.19 98.33 1h2o n GLY 61 Ca -0.20 -1.25 -0.24 0.00 0.00 0.00 0.00 46.02 44.33 1h2o n GLY 61 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1h2o n SER 62 N -0.41 -2.70 0.00 1.61 7.64 -1.26 -4.85 113.62 113.65 1h2o n SER 62 Ca 0.00 -0.17 0.00 0.00 1.01 0.00 0.00 58.87 59.71 1h2o n SER 62 Cb 0.00 -0.71 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 1h2o n SER 62 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1h2o n GLN 63 N -0.29 0.00 -2.76 1.43 6.02 -1.26 -4.34 117.38 116.17 1h2o n GLN 63 Ca 0.02 0.24 -0.41 0.00 -0.01 0.00 0.00 57.00 56.83 1h2o n GLN 63 Cb 0.48 -0.79 -0.04 0.00 1.02 0.00 0.00 30.24 30.92 1h2o n GLN 63 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 177.06 177.57 1h2o s TYR 64 N -0.57 3.69 -0.39 1.08 -0.85 -1.26 -4.85 117.35 114.20 1h2o s TYR 64 Ca 0.00 1.66 0.02 0.00 -0.52 0.00 0.00 57.07 58.24 1h2o s TYR 64 Cb 0.00 -3.06 0.16 0.00 0.38 0.00 0.00 41.96 39.44 1h2o s TYR 64 CO 0.00 0.06 0.32 0.20 -1.52 0.00 0.00 175.55 174.60 1h2o s GLY 65 N 0.73 0.71 0.30 5.49 0.00 -1.26 -5.03 107.32 108.26 1h2o s GLY 65 Ca 0.49 -1.85 0.03 0.00 0.00 0.00 0.00 44.72 43.39 1h2o s GLY 65 CO 0.27 2.31 0.11 -2.52 0.00 0.00 0.00 173.10 173.26 1h2o s TYR 66 N 0.75 1.68 0.30 1.90 -0.85 -1.26 0.27 117.35 120.14 1h2o s TYR 66 Ca 0.24 -1.19 0.05 0.00 -0.52 0.00 0.00 57.07 55.65 1h2o s TYR 66 Cb -0.10 -1.01 -0.03 0.00 0.38 0.00 0.00 41.96 41.19 1h2o s TYR 66 CO -0.08 -0.29 0.25 0.14 -1.52 0.00 0.00 175.55 174.05 1h2o s VAL 67 N -3.55 0.00 -0.28 -3.49 -7.23 0.38 -4.20 120.40 102.02 1h2o s VAL 67 Ca 0.35 -1.99 -0.02 0.00 -1.81 0.00 0.00 61.98 58.52 1h2o s VAL 67 Cb 0.07 -2.50 0.09 0.00 0.56 0.00 0.00 36.38 34.59 1h2o s VAL 67 CO 0.15 0.00 0.08 -0.54 -0.31 0.00 0.00 175.10 174.48 1h2o s LYS 68 N -3.62 0.69 -0.18 4.82 1.02 -1.10 -1.11 119.74 120.26 1h2o s LYS 68 Ca 0.40 -0.86 -0.14 0.00 0.02 0.00 0.00 55.97 55.38 1h2o s LYS 68 Cb 0.03 -1.97 -0.04 0.00 -0.52 0.00 0.00 37.83 35.33 1h2o s LYS 68 CO 0.24 -0.89 0.33 -1.01 -0.92 0.00 0.00 175.35 173.10 1h2o s HIS 69 N 1.71 3.41 -0.35 3.18 3.76 0.13 -2.18 115.29 124.96 1h2o s HIS 69 Ca 0.06 0.58 -0.16 0.00 -0.15 0.00 0.00 55.06 55.39 1h2o s HIS 69 Cb -0.17 -2.42 -0.01 0.00 1.11 0.00 0.00 32.58 31.10 1h2o s HIS 69 CO -0.21 0.12 0.39 0.21 -0.85 0.00 0.00 174.74 174.40 1h2o s LYS 70 N 0.86 3.54 0.17 1.40 2.20 0.45 0.12 119.74 128.48 1h2o s LYS 70 Ca 0.17 -0.40 -0.33 0.00 -0.36 0.00 0.00 55.97 55.04 1h2o s LYS 70 Cb -0.14 -3.82 -0.15 0.00 -1.51 0.00 0.00 37.83 32.22 1h2o s LYS 70 CO 0.06 -0.57 1.42 -0.89 -0.36 0.00 0.00 175.35 175.01 1h2o n ILE 71 N 5.28 0.41 -0.10 5.43 2.08 0.25 0.78 119.36 133.50 1h2o n ILE 71 Ca -0.08 -0.10 -0.19 0.00 0.56 0.00 0.00 62.75 62.93 1h2o n ILE 71 Cb 0.49 -1.28 -0.08 0.00 -0.75 0.00 0.00 39.64 38.02 1h2o n ILE 71 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1h2o n ASP 72 N 2.66 1.78 -3.62 4.38 -0.08 0.17 0.04 116.55 121.89 1h2o n ASP 72 Ca 0.15 0.14 -0.03 0.00 -1.51 0.00 0.00 54.79 53.55 1h2o n ASP 72 Cb 0.27 -0.51 -0.02 0.00 2.34 0.00 0.00 41.12 43.20 1h2o n ASP 72 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1h2o s SER 73 N -6.54 -0.06 0.25 1.67 1.04 -0.69 -4.64 113.70 104.72 1h2o s SER 73 Ca -0.28 -0.01 -0.14 0.00 0.48 0.00 0.00 55.95 56.00 1h2o s SER 73 Cb 0.10 0.07 -0.00 0.00 0.10 0.00 0.00 66.02 66.29 1h2o s SER 73 CO 0.39 -0.12 0.52 -0.51 0.98 0.00 0.00 173.24 174.50 1h2o s ILE 74 N -2.21 0.00 -0.39 -1.02 2.07 -1.26 0.14 121.20 118.53 1h2o s ILE 74 Ca 0.11 -1.34 0.03 0.00 -1.41 0.00 0.00 60.65 58.04 1h2o s ILE 74 Cb -0.00 -2.17 0.16 0.00 0.13 0.00 0.00 42.46 40.57 1h2o s ILE 74 CO -0.03 0.00 0.33 -1.81 -1.91 0.00 0.00 174.94 171.51 1h2o s ASP 75 N -3.00 1.68 0.29 4.50 1.11 0.31 -4.90 116.67 116.66 1h2o s ASP 75 Ca 0.20 -2.53 0.18 0.00 0.18 0.00 0.00 52.55 50.58 1h2o s ASP 75 Cb -0.02 -0.16 0.99 0.00 1.07 0.00 0.00 42.92 44.81 1h2o s ASP 75 CO 0.09 -0.22 1.54 1.17 1.18 0.00 0.00 175.17 178.93 1h2o n LYS 76 N 3.39 0.12 -0.04 8.23 4.81 -1.26 0.30 118.16 133.71 1h2o n LYS 76 Ca 0.21 0.61 -0.14 0.00 -0.87 0.00 0.00 58.31 58.13 1h2o n LYS 76 Cb 0.45 -1.93 -0.14 0.00 0.02 0.00 0.00 35.03 33.43 1h2o n LYS 76 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1h2o n GLU 77 N -2.14 0.68 0.00 1.64 1.02 -1.26 -4.16 120.64 116.42 1h2o n GLU 77 Ca -0.01 0.22 0.10 0.00 -0.02 0.00 0.00 57.16 57.45 1h2o n GLU 77 Cb 0.07 -1.69 0.02 0.00 -0.02 0.00 0.00 31.44 29.81 1h2o n GLU 77 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1h2o n ASN 78 N -3.16 2.03 -3.09 1.62 3.02 -0.30 -4.99 115.26 110.38 1h2o n ASN 78 Ca -0.27 -1.51 -0.14 0.00 -0.03 0.00 0.00 54.58 52.62 1h2o n ASN 78 Cb 1.06 0.38 0.07 0.00 -0.61 0.00 0.00 39.78 40.68 1h2o n ASN 78 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1h2o n TYR 79 N 0.19 -2.06 -4.20 3.10 4.01 0.86 -4.35 117.16 114.71 1h2o n TYR 79 Ca 0.09 0.79 -0.17 0.00 -0.16 0.00 0.00 57.90 58.45 1h2o n TYR 79 Cb 0.43 -4.29 -0.11 0.00 -0.31 0.00 0.00 39.34 35.06 1h2o n TYR 79 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1h2o s SER 80 N -3.73 1.71 -0.03 7.72 0.01 -0.94 0.13 113.70 118.57 1h2o s SER 80 Ca 0.22 -0.77 -0.18 0.00 1.31 0.00 0.00 55.95 56.53 1h2o s SER 80 Cb -0.03 -0.03 0.03 0.00 0.21 0.00 0.00 66.02 66.20 1h2o s SER 80 CO 0.65 -0.17 0.40 -0.47 0.41 0.00 0.00 173.24 174.05 1h2o s TYR 81 N -2.06 -0.30 -0.02 2.43 5.04 0.20 0.11 117.35 122.75 1h2o s TYR 81 Ca 0.05 0.50 -0.27 0.00 -2.44 0.00 0.00 57.07 54.92 1h2o s TYR 81 Cb -0.05 0.17 0.06 0.00 0.35 0.00 0.00 41.96 42.49 1h2o s TYR 81 CO 0.02 -0.43 0.59 0.45 -1.34 0.00 0.00 175.55 174.83 1h2o s SER 82 N -1.22 -0.54 0.34 4.32 0.15 0.12 0.25 113.70 117.12 1h2o s SER 82 Ca -0.12 0.50 -0.08 0.00 0.70 0.00 0.00 55.95 56.94 1h2o s SER 82 Cb -0.04 0.50 0.02 0.00 -1.71 0.00 0.00 66.02 64.78 1h2o s SER 82 CO 0.05 -0.61 0.57 -0.72 1.20 0.00 0.00 173.24 173.73 1h2o s TYR 83 N -1.51 0.67 -0.09 3.44 1.13 0.37 -0.65 117.35 120.69 1h2o s TYR 83 Ca -0.10 -1.05 0.01 0.00 -1.41 0.00 0.00 57.07 54.53 1h2o s TYR 83 Cb -0.01 0.23 0.02 0.00 -1.10 0.00 0.00 41.96 41.10 1h2o s TYR 83 CO 0.06 -1.24 -0.13 0.99 -2.51 0.00 0.00 175.55 172.73 1h2o s THR 84 N -3.02 1.27 -0.12 -3.49 2.01 0.23 0.20 115.64 112.73 1h2o s THR 84 Ca 0.25 -0.51 -0.13 0.00 0.31 0.00 0.00 61.69 61.60 1h2o s THR 84 Cb -0.02 -1.18 -0.05 0.00 0.01 0.00 0.00 72.50 71.26 1h2o s THR 84 CO 0.16 0.40 0.31 -0.22 -0.69 0.00 0.00 174.62 174.57 1h2o s LEU 85 N 1.03 4.32 -0.10 4.42 2.96 -0.12 0.17 118.68 131.36 1h2o s LEU 85 Ca -0.07 0.62 0.04 0.00 -0.22 0.00 0.00 54.13 54.51 1h2o s LEU 85 Cb -0.15 -2.40 -0.09 0.00 0.50 0.00 0.00 46.19 44.05 1h2o s LEU 85 CO -0.01 0.19 -0.03 2.30 -1.32 0.00 0.00 176.35 177.47 1h2o n ILE 86 N 2.97 0.61 -4.30 6.68 -5.35 -0.93 -1.03 119.36 118.02 1h2o n ILE 86 Ca -0.13 -0.31 -0.27 0.00 -0.27 0.00 0.00 62.75 61.77 1h2o n ILE 86 Cb 0.52 -0.83 -0.10 0.00 -1.74 0.00 0.00 39.64 37.50 1h2o n ILE 86 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1h2o s GLU 87 N -2.21 1.96 0.00 6.28 2.12 -1.25 -4.85 118.70 120.75 1h2o s GLU 87 Ca -0.09 -1.26 0.00 0.00 0.36 0.00 0.00 54.97 53.98 1h2o s GLU 87 Cb 0.03 -2.13 0.00 0.00 0.26 0.00 0.00 34.13 32.29 1h2o s GLU 87 CO 0.31 0.44 0.00 0.41 -0.54 0.00 0.00 175.26 175.88 1h2o n GLY 88 N 0.25 2.95 0.34 -1.50 0.00 -1.26 -2.70 105.19 103.26 1h2o n GLY 88 Ca -0.12 0.11 0.20 0.00 0.00 0.00 0.00 46.02 46.21 1h2o n GLY 88 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1h2o h ASP 89 N 0.00 0.00 1.76 1.61 3.32 -1.97 0.19 116.42 121.34 1h2o h ASP 89 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1h2o h ASP 89 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1h2o h ASP 89 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 1h2o h ALA 90 N 1.76 1.00 0.00 3.45 0.00 -1.93 -3.14 119.26 120.39 1h2o h ALA 90 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1h2o h ALA 90 Cb 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1h2o h ALA 90 CO -0.00 0.00 -0.31 -0.07 0.00 0.00 0.00 179.25 178.87 1h2o h LEU 91 N 0.00 0.00 0.00 0.00 3.38 -0.95 -3.47 115.31 114.27 1h2o h LEU 91 Ca 0.00 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.12 1h2o h LEU 91 Cb 0.88 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 1h2o h LEU 91 CO 0.00 0.31 -0.20 0.61 0.09 0.00 0.00 178.44 179.25 1h2o n GLY 92 N -0.41 -0.79 0.13 0.83 0.00 -1.19 -1.09 105.19 102.68 1h2o n GLY 92 Ca -0.02 -0.51 0.04 0.00 0.00 0.00 0.00 46.02 45.53 1h2o n GLY 92 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1h2o n ASP 93 N -4.24 0.38 -0.10 1.61 8.00 -1.26 -3.46 116.55 117.48 1h2o n ASP 93 Ca 0.00 -1.84 -0.12 0.00 0.71 0.00 0.00 54.79 53.54 1h2o n ASP 93 Cb 0.25 -0.04 -0.15 0.00 -0.02 0.00 0.00 41.12 41.16 1h2o n ASP 93 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1h2o n THR 94 N -0.37 1.45 -4.17 -3.53 -2.24 -1.22 -4.79 114.28 99.41 1h2o n THR 94 Ca 0.06 -0.78 -0.24 0.00 -2.27 0.00 0.00 64.05 60.83 1h2o n THR 94 Cb 0.08 -0.79 -0.06 0.00 -2.10 0.00 0.00 70.33 67.46 1h2o n THR 94 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1h2o s LEU 95 N -5.85 3.56 0.00 3.22 1.43 -0.25 -2.41 118.68 118.38 1h2o s LEU 95 Ca -0.16 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.58 1h2o s LEU 95 Cb 0.07 -2.12 0.00 0.00 0.03 0.00 0.00 46.19 44.17 1h2o s LEU 95 CO 0.77 0.01 0.00 1.21 0.23 0.00 0.00 176.35 178.58 1h2o n GLU 96 N -0.76 0.00 -2.70 1.70 4.07 -0.32 -4.62 120.64 118.00 1h2o n GLU 96 Ca -0.08 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.60 1h2o n GLU 96 Cb 0.57 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.92 1h2o n GLU 96 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 1h2o s LYS 97 N -0.01 4.48 0.01 5.31 1.02 -1.17 -4.62 119.74 124.77 1h2o s LYS 97 Ca 0.00 1.39 0.07 0.00 0.02 0.00 0.00 55.97 57.46 1h2o s LYS 97 Cb 0.00 -3.51 -0.03 0.00 -0.52 0.00 0.00 37.83 33.78 1h2o s LYS 97 CO 0.00 -0.19 -0.22 0.42 -0.92 0.00 0.00 175.35 174.44 1h2o s ILE 98 N 1.56 2.47 -0.06 2.17 -1.09 -0.19 -0.96 121.20 125.10 1h2o s ILE 98 Ca 0.50 -1.15 0.04 0.00 -2.23 0.00 0.00 60.65 57.81 1h2o s ILE 98 Cb -0.19 -1.97 -0.00 0.00 -1.58 0.00 0.00 42.46 38.72 1h2o s ILE 98 CO 0.22 0.45 -0.20 -0.44 -1.23 0.00 0.00 174.94 173.74 1h2o s SER 99 N -1.06 2.52 -0.06 3.58 0.01 -0.85 -0.94 113.70 116.91 1h2o s SER 99 Ca 0.12 -0.43 0.03 0.00 1.31 0.00 0.00 55.95 56.98 1h2o s SER 99 Cb -0.10 -0.84 0.01 0.00 0.21 0.00 0.00 66.02 65.30 1h2o s SER 99 CO 0.02 0.16 -0.13 -0.31 0.41 0.00 0.00 173.24 173.39 1h2o s TYR 100 N 0.12 1.52 -0.01 2.43 2.02 0.53 0.62 117.35 124.59 1h2o s TYR 100 Ca -0.08 -0.53 0.02 0.00 -0.37 0.00 0.00 57.07 56.11 1h2o s TYR 100 Cb -0.14 -1.09 -0.00 0.00 -0.40 0.00 0.00 41.96 40.33 1h2o s TYR 100 CO 0.04 -0.25 -0.06 -2.00 -1.57 0.00 0.00 175.55 171.71 1h2o s GLU 101 N 0.50 0.49 0.01 -0.62 2.12 0.61 0.14 118.70 121.94 1h2o s GLU 101 Ca -0.12 -0.20 -0.02 0.00 0.36 0.00 0.00 54.97 54.99 1h2o s GLU 101 Cb -0.15 -0.47 -0.01 0.00 0.26 0.00 0.00 34.13 33.76 1h2o s GLU 101 CO 0.04 0.11 0.03 0.99 -0.54 0.00 0.00 175.26 175.88 1h2o s THR 102 N -0.07 0.09 -0.03 -1.70 2.01 0.71 0.19 115.64 116.83 1h2o s THR 102 Ca 0.01 -0.77 -0.03 0.00 0.31 0.00 0.00 61.69 61.22 1h2o s THR 102 Cb -0.03 -0.30 0.01 0.00 0.01 0.00 0.00 72.50 72.19 1h2o s THR 102 CO -0.00 -0.42 0.08 -0.75 -0.69 0.00 0.00 174.62 172.84 1h2o s LYS 103 N -1.31 0.12 0.20 4.92 2.20 0.60 0.60 119.74 127.07 1h2o s LYS 103 Ca -0.14 0.07 0.10 0.00 -0.36 0.00 0.00 55.97 55.63 1h2o s LYS 103 Cb -0.08 0.06 -0.04 0.00 -1.51 0.00 0.00 37.83 36.25 1h2o s LYS 103 CO -0.00 -0.02 -0.11 -0.51 -0.36 0.00 0.00 175.35 174.35 1h2o s LEU 104 N -0.06 2.90 0.00 5.43 1.43 0.35 0.20 118.68 128.93 1h2o s LEU 104 Ca -0.01 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 52.43 1h2o s LEU 104 Cb -0.01 -1.56 0.00 0.00 0.03 0.00 0.00 46.19 44.65 1h2o s LEU 104 CO 0.00 0.09 0.00 0.52 0.23 0.00 0.00 176.35 177.19 1h2o n VAL 105 N -0.12 0.00 -4.35 -1.59 0.31 0.40 -4.64 118.33 108.33 1h2o n VAL 105 Ca -0.10 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.00 1h2o n VAL 105 Cb 0.56 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.38 1h2o n VAL 105 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1h2o s ALA 106 N -1.43 2.11 0.43 3.52 0.00 -1.26 -1.28 121.76 123.84 1h2o s ALA 106 Ca 0.00 -1.50 0.07 0.00 0.00 0.00 0.00 51.96 50.53 1h2o s ALA 106 Cb 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 1h2o s ALA 106 CO 0.00 0.29 0.21 -1.54 0.00 0.00 0.00 175.76 174.73 1h2o s SER 107 N -2.58 4.50 0.24 0.00 1.04 -0.20 -4.51 113.70 112.18 1h2o s SER 107 Ca 0.16 -1.08 0.24 0.00 0.48 0.00 0.00 55.95 55.75 1h2o s SER 107 Cb -0.07 -0.38 0.94 0.00 0.10 0.00 0.00 66.02 66.61 1h2o s SER 107 CO 0.07 -0.61 1.72 -0.81 0.98 0.00 0.00 173.24 174.59 1h2o n PRO 108 N -1.31 0.21 -0.41 4.02 -0.04 -1.26 -2.39 135.00 133.81 1h2o n PRO 108 Ca -0.01 0.37 0.10 0.00 -0.04 0.00 0.00 63.50 63.92 1h2o n PRO 108 Cb 0.64 -1.85 0.30 0.00 -0.04 0.00 0.00 33.50 32.56 1h2o n PRO 108 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1h2o n SER 109 N -2.23 3.80 0.00 3.54 3.41 -1.26 -4.91 113.62 115.97 1h2o n SER 109 Ca 0.03 -2.12 0.00 0.00 -0.26 0.00 0.00 58.87 56.52 1h2o n SER 109 Cb 0.27 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 1h2o n SER 109 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1h2o n GLY 110 N 1.42 2.74 0.81 5.00 0.00 -1.01 -5.02 105.19 109.13 1h2o n GLY 110 Ca 0.23 -0.06 -0.07 0.00 0.00 0.00 0.00 46.02 46.12 1h2o n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h2o n GLY 111 N 0.00 -3.16 2.91 -0.02 0.00 -1.26 -4.55 105.19 99.10 1h2o n GLY 111 Ca 0.00 -1.04 -0.16 0.00 0.00 0.00 0.00 46.02 44.82 1h2o n GLY 111 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h2o s SER 112 N -2.07 0.57 0.25 1.61 1.04 0.28 -1.04 113.70 114.34 1h2o s SER 112 Ca 0.15 -0.08 -0.12 0.00 0.48 0.00 0.00 55.95 56.38 1h2o s SER 112 Cb -0.03 -0.16 -0.08 0.00 0.10 0.00 0.00 66.02 65.86 1h2o s SER 112 CO 0.12 0.00 0.61 -0.63 0.98 0.00 0.00 173.24 174.32 1h2o s ILE 113 N 0.32 4.85 -0.12 -1.02 1.01 -0.41 0.14 121.20 125.97 1h2o s ILE 113 Ca -0.03 0.65 -0.01 0.00 0.00 0.00 0.00 60.65 61.26 1h2o s ILE 113 Cb -0.07 -3.63 0.03 0.00 0.01 0.00 0.00 42.46 38.81 1h2o s ILE 113 CO -0.00 -0.07 -0.04 -0.63 0.00 0.00 0.00 174.94 174.19 1h2o s ILE 114 N -1.83 0.85 -0.24 2.92 1.01 0.36 0.15 121.20 124.41 1h2o s ILE 114 Ca 0.48 -0.28 -0.07 0.00 0.00 0.00 0.00 60.65 60.78 1h2o s ILE 114 Cb -0.11 -0.97 -0.03 0.00 0.01 0.00 0.00 42.46 41.36 1h2o s ILE 114 CO 0.20 0.25 0.07 -0.75 0.00 0.00 0.00 174.94 174.71 1h2o s LYS 115 N 1.77 3.69 0.13 2.79 2.20 0.53 -1.51 119.74 129.34 1h2o s LYS 115 Ca 0.04 -0.46 0.08 0.00 -0.36 0.00 0.00 55.97 55.26 1h2o s LYS 115 Cb -0.13 -3.33 -0.04 0.00 -1.51 0.00 0.00 37.83 32.82 1h2o s LYS 115 CO -0.07 -0.15 -0.09 0.45 -0.36 0.00 0.00 175.35 175.13 1h2o s SER 116 N 1.53 4.41 -0.22 1.43 0.15 0.14 0.22 113.70 121.36 1h2o s SER 116 Ca 0.06 -0.44 -0.09 0.00 0.70 0.00 0.00 55.95 56.18 1h2o s SER 116 Cb -0.15 -0.83 0.09 0.00 -1.71 0.00 0.00 66.02 63.42 1h2o s SER 116 CO 0.04 0.15 0.49 -0.89 1.20 0.00 0.00 173.24 174.23 1h2o s THR 117 N -1.40 -0.43 0.26 6.45 2.01 0.49 -0.31 115.64 122.70 1h2o s THR 117 Ca 0.23 0.10 0.07 0.00 0.31 0.00 0.00 61.69 62.40 1h2o s THR 117 Cb -0.10 -0.75 -0.05 0.00 0.01 0.00 0.00 72.50 71.60 1h2o s THR 117 CO 0.15 0.04 -0.09 -0.55 -0.69 0.00 0.00 174.62 173.48 1h2o s SER 118 N 2.17 2.72 0.04 3.53 0.15 0.51 0.23 113.70 123.06 1h2o s SER 118 Ca -0.06 -1.13 0.00 0.00 0.70 0.00 0.00 55.95 55.46 1h2o s SER 118 Cb -0.10 -0.16 -0.03 0.00 -1.71 0.00 0.00 66.02 64.02 1h2o s SER 118 CO -0.15 -0.28 -0.04 -1.00 1.20 0.00 0.00 173.24 172.97 1h2o s HIS 119 N -2.99 0.47 -0.04 3.44 3.76 0.20 -1.72 115.29 118.42 1h2o s HIS 119 Ca 0.27 -0.74 0.05 0.00 -0.15 0.00 0.00 55.06 54.49 1h2o s HIS 119 Cb 0.02 -0.32 -0.01 0.00 1.11 0.00 0.00 32.58 33.38 1h2o s HIS 119 CO 0.10 -0.23 -0.19 0.71 -0.85 0.00 0.00 174.74 174.29 1h2o s TYR 120 N -2.48 1.82 -0.47 1.40 2.02 -0.99 -2.00 117.35 116.64 1h2o s TYR 120 Ca -0.05 -0.50 0.03 0.00 -0.37 0.00 0.00 57.07 56.18 1h2o s TYR 120 Cb -0.02 -1.21 0.12 0.00 -0.40 0.00 0.00 41.96 40.45 1h2o s TYR 120 CO -0.04 -0.15 0.22 -1.01 -1.57 0.00 0.00 175.55 172.99 1h2o s HIS 121 N -0.06 3.40 0.61 2.71 3.76 -0.14 -0.99 115.29 124.58 1h2o s HIS 121 Ca -0.02 -3.04 -0.15 0.00 -0.15 0.00 0.00 55.06 51.70 1h2o s HIS 121 Cb -0.11 -2.92 -0.03 0.00 1.11 0.00 0.00 32.58 30.63 1h2o s HIS 121 CO 0.02 -0.82 1.05 0.95 -0.85 0.00 0.00 174.74 175.09 1h2o s THR 122 N 0.15 3.94 -0.45 1.30 -4.23 -1.23 -1.18 115.64 113.94 1h2o s THR 122 Ca 0.15 0.85 -0.08 0.00 -1.18 0.00 0.00 61.69 61.43 1h2o s THR 122 Cb -0.23 -3.43 0.11 0.00 1.34 0.00 0.00 72.50 70.29 1h2o s THR 122 CO -0.03 -0.61 0.30 -0.75 -0.54 0.00 0.00 174.62 173.00 1h2o s LYS 123 N -4.30 2.42 0.00 3.99 2.20 -1.01 -4.83 119.74 118.21 1h2o s LYS 123 Ca 0.62 -1.72 0.00 0.00 -0.36 0.00 0.00 55.97 54.51 1h2o s LYS 123 Cb -0.15 -3.84 0.00 0.00 -1.51 0.00 0.00 37.83 32.33 1h2o s LYS 123 CO 0.40 -1.13 0.00 0.41 -0.36 0.00 0.00 175.35 174.67 1h2o n GLY 124 N 4.85 0.07 2.55 5.54 0.00 -1.26 -4.81 105.19 112.13 1h2o n GLY 124 Ca -0.07 -1.68 -0.27 0.00 0.00 0.00 0.00 46.02 44.00 1h2o n GLY 124 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1h2o n ASN 125 N 0.00 3.90 -4.13 1.61 5.15 -1.26 -5.05 115.26 115.48 1h2o n ASN 125 Ca 0.00 -3.50 -0.12 0.00 -0.60 0.00 0.00 54.58 50.36 1h2o n ASN 125 Cb 0.00 -0.64 -0.11 0.00 -0.53 0.00 0.00 39.78 38.50 1h2o n ASN 125 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1h2o s VAL 126 N -3.00 0.68 0.52 3.44 -7.23 -1.26 -5.17 120.40 108.38 1h2o s VAL 126 Ca 0.42 -1.58 0.01 0.00 -1.81 0.00 0.00 61.98 59.02 1h2o s VAL 126 Cb 0.19 -1.25 -0.00 0.00 0.56 0.00 0.00 36.38 35.88 1h2o s VAL 126 CO -0.05 -0.65 0.05 -1.61 -0.31 0.00 0.00 175.10 172.54 1h2o s GLU 127 N -2.86 2.22 0.86 4.82 2.02 -1.26 -4.79 118.70 119.71 1h2o s GLU 127 Ca 0.03 -2.38 -0.13 0.00 0.02 0.00 0.00 54.97 52.51 1h2o s GLU 127 Cb -0.02 -1.59 0.12 0.00 0.10 0.00 0.00 34.13 32.74 1h2o s GLU 127 CO -0.02 -0.42 1.22 0.42 0.02 0.00 0.00 175.26 176.48 1h2o s ILE 128 N -2.88 2.01 -0.15 -1.63 -1.09 -1.26 -5.03 121.20 111.17 1h2o s ILE 128 Ca 0.07 -0.01 -0.14 0.00 -2.23 0.00 0.00 60.65 58.34 1h2o s ILE 128 Cb 0.01 -3.00 -0.05 0.00 -1.58 0.00 0.00 42.46 37.84 1h2o s ILE 128 CO 0.04 0.00 0.29 -0.54 -1.23 0.00 0.00 174.94 173.50 1h2o s LYS 129 N -5.67 4.23 0.44 2.79 1.02 -1.26 -4.95 119.74 116.34 1h2o s LYS 129 Ca 0.66 0.10 0.27 0.00 0.02 0.00 0.00 55.97 57.02 1h2o s LYS 129 Cb -0.09 -3.41 1.33 0.00 -0.52 0.00 0.00 37.83 35.14 1h2o s LYS 129 CO 0.50 0.26 1.70 0.93 -0.92 0.00 0.00 175.35 177.82 1h2o h GLU 130 N 6.58 0.19 0.00 1.68 5.08 -1.98 1.92 114.58 128.05 1h2o h GLU 130 Ca -0.42 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 57.92 1h2o h GLU 130 Cb 1.17 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.37 1h2o h GLU 130 CO 0.75 0.12 -0.08 1.49 -1.00 0.00 0.00 179.01 180.29 1h2o h GLU 131 N 0.19 0.00 0.01 2.33 4.81 -1.95 0.36 114.58 120.33 1h2o h GLU 131 Ca 0.71 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.74 1h2o h GLU 131 Cb 2.17 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 31.53 1h2o h GLU 131 CO -0.31 0.08 -1.06 1.25 -0.73 0.00 0.00 179.01 178.25 1h2o h HIS 132 N 0.00 0.04 0.00 0.92 2.76 0.27 0.88 115.15 120.01 1h2o h HIS 132 Ca -0.00 -0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.06 1h2o h HIS 132 Cb 0.47 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.42 1h2o h HIS 132 CO 0.00 1.41 -0.41 -0.24 -1.30 0.00 0.00 177.93 177.39 1h2o h VAL 133 N -0.94 1.17 0.00 5.26 3.04 -1.32 -1.90 116.25 121.57 1h2o h VAL 133 Ca -0.29 -1.48 0.00 0.00 -1.01 0.00 0.00 66.70 63.92 1h2o h VAL 133 Cb 1.29 1.83 0.00 0.00 -2.01 0.00 0.00 31.29 32.40 1h2o h VAL 133 CO -0.15 0.41 -0.02 1.17 -1.01 0.00 0.00 177.57 177.97 1h2o n LYS 134 N -3.87 0.01 0.33 4.17 4.81 0.11 -4.16 118.16 119.56 1h2o n LYS 134 Ca -0.01 0.00 0.18 0.00 -0.87 0.00 0.00 58.31 57.61 1h2o n LYS 134 Cb 0.47 -0.40 0.98 0.00 0.02 0.00 0.00 35.03 36.10 1h2o n LYS 134 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1h2o h ALA 135 N -1.49 1.17 0.00 3.14 0.00 -1.29 0.23 119.26 121.02 1h2o h ALA 135 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 1h2o h ALA 135 Cb 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1h2o h ALA 135 CO 0.00 -0.17 -0.82 0.78 0.00 0.00 0.00 179.25 179.05 1h2o h GLY 136 N 0.00 0.02 1.92 0.00 0.00 -0.01 -2.84 103.07 102.15 1h2o h GLY 136 Ca 0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 47.33 47.22 1h2o h GLY 136 CO 0.00 0.03 -0.31 0.50 0.00 0.00 0.00 176.54 176.76 1h2o h LYS 137 N 0.01 0.10 0.00 4.80 1.57 -0.65 -2.18 116.57 120.22 1h2o h LYS 137 Ca -0.01 -0.03 -0.21 0.00 -1.87 0.00 0.00 60.65 58.52 1h2o h LYS 137 Cb 1.44 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.71 1h2o h LYS 137 CO 0.11 0.40 -1.06 1.49 -0.57 0.00 0.00 179.45 179.82 1h2o h GLU 138 N 0.09 0.00 -0.14 3.15 4.57 -1.54 -2.57 114.58 118.15 1h2o h GLU 138 Ca 0.01 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.12 1h2o h GLU 138 Cb 0.59 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.18 1h2o h GLU 138 CO 0.04 0.89 -0.18 0.87 -1.18 0.00 0.00 179.01 179.45 1h2o h LYS 139 N 0.00 0.37 -0.09 1.92 1.57 -1.24 -2.84 116.57 116.26 1h2o h LYS 139 Ca -0.05 -0.21 -0.15 0.00 -1.87 0.00 0.00 60.65 58.37 1h2o h LYS 139 Cb 1.77 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 34.09 1h2o h LYS 139 CO 0.12 0.78 -0.59 0.00 -0.57 0.00 0.00 179.45 179.19 1h2o h ALA 140 N 0.58 0.83 -0.41 3.86 0.00 -1.51 -3.16 119.26 119.45 1h2o h ALA 140 Ca 0.02 -0.53 0.02 0.00 0.00 0.00 0.00 54.91 54.41 1h2o h ALA 140 Cb 0.73 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1h2o h ALA 140 CO 0.04 0.72 0.24 1.03 0.00 0.00 0.00 179.25 181.28 1h2o h SER 141 N 0.21 0.38 -0.78 0.00 0.87 -1.43 -2.12 113.55 110.68 1h2o h SER 141 Ca -0.00 0.01 0.12 0.00 -1.23 0.00 0.00 61.79 60.69 1h2o h SER 141 Cb 1.10 -0.07 -0.09 0.00 -0.44 0.00 0.00 62.40 62.90 1h2o h SER 141 CO 0.09 0.27 0.38 0.78 -0.53 0.00 0.00 176.83 177.83 1h2o h ASN 142 N 0.48 0.46 -0.12 6.23 2.35 -1.47 -1.36 115.58 122.16 1h2o h ASN 142 Ca 0.17 0.08 0.03 0.00 -0.55 0.00 0.00 56.30 56.02 1h2o h ASN 142 Cb 0.02 0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.37 1h2o h ASN 142 CO -0.08 0.22 -0.04 0.25 -1.65 0.00 0.00 177.43 176.13 1h2o h LEU 143 N 0.59 -0.14 -1.00 1.61 5.85 -1.44 -0.81 115.31 119.97 1h2o h LEU 143 Ca 0.41 0.04 0.13 0.00 0.84 0.00 0.00 57.88 59.31 1h2o h LEU 143 Cb 0.54 0.09 -0.09 0.00 0.37 0.00 0.00 40.66 41.57 1h2o h LEU 143 CO -0.33 -0.05 0.62 -0.26 -0.34 0.00 0.00 178.44 178.08 1h2o h PHE 144 N -0.02 1.13 0.00 1.25 0.04 -0.97 0.48 116.94 118.85 1h2o h PHE 144 Ca 0.06 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.87 1h2o h PHE 144 Cb 0.11 -0.35 0.00 0.00 2.20 0.00 0.00 35.95 37.91 1h2o h PHE 144 CO -0.17 0.41 0.00 -0.22 -0.60 0.00 0.00 178.31 177.73 1h2o h LYS 145 N 0.95 0.00 0.13 1.51 3.64 -0.58 -2.78 116.57 119.43 1h2o h LYS 145 Ca 0.51 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.60 1h2o h LYS 145 Cb 0.56 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1h2o h LYS 145 CO -0.29 0.00 -1.38 -0.07 -2.27 0.00 0.00 179.45 175.44 1h2o h LEU 146 N 0.00 0.42 -0.13 5.20 3.38 0.13 -3.16 115.31 121.15 1h2o h LEU 146 Ca 0.00 -0.50 -0.03 0.00 0.09 0.00 0.00 57.88 57.44 1h2o h LEU 146 Cb 0.50 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1h2o h LEU 146 CO 0.00 1.40 -0.05 0.40 0.09 0.00 0.00 178.44 180.29 1h2o h ILE 147 N 0.07 1.31 -0.80 1.22 2.04 -1.15 -2.19 117.51 118.01 1h2o h ILE 147 Ca -0.19 -1.04 0.19 0.00 1.00 0.00 0.00 64.86 64.82 1h2o h ILE 147 Cb 2.00 1.74 -0.12 0.00 -0.74 0.00 0.00 36.82 39.69 1h2o h ILE 147 CO 0.19 0.30 0.21 -0.33 0.00 0.00 0.00 178.15 178.52 1h2o h GLU 148 N -0.08 0.25 -0.84 2.37 5.08 -1.59 0.65 114.58 120.42 1h2o h GLU 148 Ca 0.03 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1h2o h GLU 148 Cb 0.49 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 1h2o h GLU 148 CO 0.02 0.17 0.43 1.15 -1.00 0.00 0.00 179.01 179.77 1h2o h THR 149 N 0.26 1.25 -0.60 1.13 2.02 -1.47 0.12 112.91 115.63 1h2o h THR 149 Ca 0.47 -0.68 0.12 0.00 0.77 0.00 0.00 66.41 67.09 1h2o h THR 149 Cb 0.86 0.15 -0.12 0.00 -1.74 0.00 0.00 68.15 67.31 1h2o h THR 149 CO -0.56 0.30 -0.21 0.22 0.37 0.00 0.00 175.52 175.63 1h2o h TYR 150 N 1.19 -0.52 0.12 3.16 3.20 0.94 0.59 116.97 125.66 1h2o h TYR 150 Ca 0.29 0.06 -0.27 0.00 3.14 0.00 0.00 58.73 61.95 1h2o h TYR 150 Cb 0.08 0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.68 1h2o h TYR 150 CO 0.01 -0.31 -1.24 -0.07 -1.64 0.00 0.00 178.16 174.91 1h2o h LEU 151 N -0.06 0.41 -1.39 2.82 3.38 -1.16 0.55 115.31 119.85 1h2o h LEU 151 Ca 0.28 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1h2o h LEU 151 Cb 0.49 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1h2o h LEU 151 CO -0.65 1.34 0.00 1.17 0.09 0.00 0.00 178.44 180.40 1h2o n LYS 152 N -3.52 0.14 0.00 1.13 4.81 0.40 -2.39 118.16 118.72 1h2o n LYS 152 Ca -0.08 0.62 0.00 0.00 -0.87 0.00 0.00 58.31 57.98 1h2o n LYS 152 Cb 1.02 -1.96 0.00 0.00 0.02 0.00 0.00 35.03 34.11 1h2o n LYS 152 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1h2o n GLY 153 N -1.20 0.00 3.22 3.14 0.00 0.08 -4.90 105.19 105.53 1h2o n GLY 153 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1h2o n GLY 153 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1h2o s HIS 154 N -1.99 3.54 -2.00 1.61 3.76 0.19 -4.88 115.29 115.52 1h2o s HIS 154 Ca 0.00 -2.22 0.17 0.00 -0.15 0.00 0.00 55.06 52.86 1h2o s HIS 154 Cb 0.00 -3.52 1.03 0.00 1.11 0.00 0.00 32.58 31.20 1h2o s HIS 154 CO 0.00 -0.94 1.47 -0.35 -0.85 0.00 0.00 174.74 174.08 1h2o n PRO 155 N 4.02 0.69 0.00 8.40 -0.04 -1.26 -2.47 135.00 144.34 1h2o n PRO 155 Ca 0.06 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.55 1h2o n PRO 155 Cb 0.42 -1.39 -0.00 0.00 -0.04 0.00 0.00 33.50 32.49 1h2o n PRO 155 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1h2o n ASP 156 N -0.89 0.94 -4.56 3.54 8.00 -1.26 -4.69 116.55 117.63 1h2o n ASP 156 Ca 0.13 -0.97 -0.43 0.00 0.71 0.00 0.00 54.79 54.23 1h2o n ASP 156 Cb 0.06 0.51 -0.04 0.00 -0.02 0.00 0.00 41.12 41.63 1h2o n ASP 156 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h2o n ALA 157 N -0.39 1.47 -2.29 2.24 0.00 -1.03 -2.79 120.51 117.71 1h2o n ALA 157 Ca 0.03 -0.32 -0.05 0.00 0.00 0.00 0.00 53.44 53.10 1h2o n ALA 157 Cb 0.14 -2.88 -0.01 0.00 0.00 0.00 0.00 19.45 16.70 1h2o n ALA 157 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1h2o n TYR 158 N 11.99 -1.44 -0.46 0.00 0.18 -1.26 -5.00 117.16 121.17 1h2o n TYR 158 Ca 0.34 0.08 0.00 0.00 1.88 0.00 0.00 57.90 60.20 1h2o n TYR 158 Cb 0.41 -0.86 0.00 0.00 -0.38 0.00 0.00 39.34 38.51 1h2o n TYR 158 CO 0.00 0.00 0.00 -1.71 -2.08 0.00 0.00 176.86 173.07