#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 4.46 0.73 1.61 0.11 -1.26 -3.94 120.40 122.12 1h2o s VAL 2 Ca 0.00 1.35 -0.03 0.00 -2.93 0.00 0.00 61.98 60.37 1h2o s VAL 2 Cb 0.00 -3.64 0.12 0.00 -1.53 0.00 0.00 36.38 31.33 1h2o s VAL 2 CO 0.00 -0.44 1.01 -0.36 -3.33 0.00 0.00 175.10 171.98 1h2o s PHE 3 N -2.32 1.82 -0.22 1.54 0.40 0.61 -4.81 117.98 114.99 1h2o s PHE 3 Ca 0.60 -0.13 -0.04 0.00 -0.60 0.00 0.00 56.93 56.76 1h2o s PHE 3 Cb -0.09 -3.11 0.08 0.00 0.51 0.00 0.00 43.02 40.40 1h2o s PHE 3 CO 0.20 -1.71 0.13 0.99 0.70 0.00 0.00 175.22 175.52 1h2o s THR 4 N -3.20 -0.12 -0.14 0.64 2.01 -1.26 -2.17 115.64 111.40 1h2o s THR 4 Ca 0.66 -0.38 -0.01 0.00 0.31 0.00 0.00 61.69 62.27 1h2o s THR 4 Cb -0.06 -0.74 -0.02 0.00 0.01 0.00 0.00 72.50 71.69 1h2o s THR 4 CO 0.45 -0.44 -0.11 -0.31 -0.69 0.00 0.00 174.62 173.52 1h2o s TYR 5 N 2.16 2.85 0.10 4.92 2.02 0.16 -4.96 117.35 124.59 1h2o s TYR 5 Ca 0.05 -0.62 0.05 0.00 -0.37 0.00 0.00 57.07 56.19 1h2o s TYR 5 Cb -0.16 -1.87 -0.03 0.00 -0.40 0.00 0.00 41.96 39.50 1h2o s TYR 5 CO -0.20 -0.20 -0.14 -1.83 -1.57 0.00 0.00 175.55 171.61 1h2o s GLU 6 N 0.40 0.92 0.02 -0.62 -1.05 -1.26 0.13 118.70 117.24 1h2o s GLU 6 Ca -0.09 -1.12 0.01 0.00 -0.15 0.00 0.00 54.97 53.62 1h2o s GLU 6 Cb -0.16 -0.82 -0.02 0.00 -0.44 0.00 0.00 34.13 32.70 1h2o s GLU 6 CO 0.05 0.16 -0.04 -1.12 0.95 0.00 0.00 175.26 175.26 1h2o s SER 7 N -2.18 0.45 -0.13 0.83 0.01 0.63 -4.96 113.70 108.34 1h2o s SER 7 Ca 0.04 -0.39 -0.01 0.00 1.31 0.00 0.00 55.95 56.91 1h2o s SER 7 Cb -0.06 0.04 0.04 0.00 0.21 0.00 0.00 66.02 66.24 1h2o s SER 7 CO 0.02 -0.18 -0.04 -1.61 0.41 0.00 0.00 173.24 171.85 1h2o s GLU 8 N -1.10 1.18 0.23 12.44 2.02 -1.26 -0.77 118.70 131.44 1h2o s GLU 8 Ca -0.09 -0.28 0.05 0.00 0.02 0.00 0.00 54.97 54.67 1h2o s GLU 8 Cb -0.07 -1.66 -0.02 0.00 0.10 0.00 0.00 34.13 32.48 1h2o s GLU 8 CO -0.00 -0.38 0.19 1.97 0.02 0.00 0.00 175.26 177.06 1h2o n PHE 9 N 4.98 -0.50 -4.34 1.61 -1.74 -1.05 -4.99 117.46 111.43 1h2o n PHE 9 Ca -0.11 -1.93 -0.19 0.00 -0.56 0.00 0.00 57.45 54.67 1h2o n PHE 9 Cb 0.49 0.18 -0.09 0.00 1.52 0.00 0.00 39.48 41.58 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 -2.91 0.30 -0.28 1.97 -4.23 -1.26 0.29 115.64 109.51 1h2o s THR 10 Ca 0.26 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.62 1h2o s THR 10 Cb 0.01 -2.50 0.09 0.00 1.34 0.00 0.00 72.50 71.44 1h2o s THR 10 CO 0.19 0.00 0.68 -0.94 -0.54 0.00 0.00 174.62 174.01 1h2o s SER 11 N -3.38 -0.98 0.53 3.99 1.04 0.11 -4.87 113.70 110.13 1h2o s SER 11 Ca 0.36 1.53 0.19 0.00 0.48 0.00 0.00 55.95 58.50 1h2o s SER 11 Cb 0.05 1.53 1.36 0.00 0.10 0.00 0.00 66.02 69.05 1h2o s SER 11 CO 0.18 -0.24 2.15 -0.33 0.98 0.00 0.00 173.24 175.99 1h2o h GLU 12 N 7.15 0.00 -7.06 4.02 5.08 -1.90 0.78 114.58 122.64 1h2o h GLU 12 Ca -0.28 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.55 1h2o h GLU 12 Cb 1.21 0.00 0.10 0.00 0.50 0.00 0.00 28.75 30.56 1h2o h GLU 12 CO 0.15 0.03 0.50 0.42 -1.00 0.00 0.00 179.01 179.11 1h2o s ILE 13 N -4.90 2.69 0.37 3.13 1.09 -1.26 -4.44 121.20 117.89 1h2o s ILE 13 Ca -0.05 0.47 -0.27 0.00 -1.10 0.00 0.00 60.65 59.70 1h2o s ILE 13 Cb 0.16 -3.21 -0.09 0.00 -1.06 0.00 0.00 42.46 38.26 1h2o s ILE 13 CO 0.65 -0.05 1.30 -2.16 -0.10 0.00 0.00 174.94 174.57 1h2o s PRO 14 N -3.07 4.13 0.25 2.79 0.04 -1.26 -4.24 135.00 133.64 1h2o s PRO 14 Ca 0.72 2.16 0.08 0.00 0.04 0.00 0.00 61.00 64.01 1h2o s PRO 14 Cb -0.31 -2.88 0.28 0.00 0.04 0.00 0.00 34.50 31.62 1h2o s PRO 14 CO 0.36 -0.36 1.57 -1.00 0.04 0.00 0.00 177.00 177.61 1h2o h PRO 15 N 2.96 0.07 0.00 0.56 0.13 -1.91 -2.71 132.00 131.11 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 0.64 0.70 -0.12 -1.00 -0.23 0.00 0.00 178.00 177.98 1h2o h PRO 16 N 0.05 0.00 0.14 1.56 0.13 -1.98 0.55 132.00 132.45 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 1.16 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.29 1h2o h PRO 16 CO 0.09 0.12 -1.33 0.00 -0.23 0.00 0.00 178.00 176.66 1h2o h ARG 17 N 0.00 0.29 -0.10 0.86 3.08 -1.90 -2.73 114.38 113.88 1h2o h ARG 17 Ca -0.00 -0.50 -0.17 0.00 0.07 0.00 0.00 59.98 59.38 1h2o h ARG 17 Cb 0.63 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 1h2o h ARG 17 CO 0.02 1.24 -0.67 1.25 -1.07 0.00 0.00 179.97 180.73 1h2o h LEU 18 N -0.25 0.46 0.49 3.04 7.12 -1.35 -2.53 115.31 122.29 1h2o h LEU 18 Ca -0.27 -0.28 -0.02 0.00 0.13 0.00 0.00 57.88 57.43 1h2o h LEU 18 Cb 1.80 -0.13 0.00 0.00 -0.53 0.00 0.00 40.66 41.80 1h2o h LEU 18 CO 0.10 1.00 -0.24 0.15 -0.13 0.00 0.00 178.44 179.33 1h2o h PHE 19 N 0.28 -0.61 -0.91 1.25 3.57 -0.00 0.59 116.94 121.12 1h2o h PHE 19 Ca -0.02 -0.01 0.18 0.00 3.53 0.00 0.00 57.97 61.64 1h2o h PHE 19 Cb 1.22 0.20 -0.07 0.00 2.79 0.00 0.00 35.95 40.09 1h2o h PHE 19 CO 0.04 -0.29 0.59 0.87 -2.23 0.00 0.00 178.31 177.28 1h2o h LYS 20 N -0.88 0.54 0.09 1.11 1.57 -1.52 0.21 116.57 117.69 1h2o h LYS 20 Ca -0.07 -0.03 -0.27 0.00 -1.87 0.00 0.00 60.65 58.41 1h2o h LYS 20 Cb 0.59 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.79 1h2o h LYS 20 CO 0.11 0.36 -1.15 0.00 -0.57 0.00 0.00 179.45 178.20 1h2o h ALA 21 N 1.61 0.16 -0.09 3.86 0.00 -1.14 2.24 119.26 125.89 1h2o h ALA 21 Ca 0.47 -0.80 -0.17 0.00 0.00 0.00 0.00 54.91 54.42 1h2o h ALA 21 Cb 0.96 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.79 1h2o h ALA 21 CO -0.21 0.84 -0.61 0.35 0.00 0.00 0.00 179.25 179.62 1h2o h PHE 22 N 0.18 0.79 0.00 0.00 3.57 0.17 0.41 116.94 122.05 1h2o h PHE 22 Ca -0.13 -0.36 -0.33 0.00 3.53 0.00 0.00 57.97 60.67 1h2o h PHE 22 Cb 1.83 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 40.40 1h2o h PHE 22 CO 0.08 1.16 -2.09 0.28 -2.23 0.00 0.00 178.31 175.51 1h2o n VAL 23 N -4.15 1.07 1.00 1.41 0.31 0.61 -3.66 118.33 114.92 1h2o n VAL 23 Ca -0.08 -0.27 0.14 0.00 -0.01 0.00 0.00 64.34 64.11 1h2o n VAL 23 Cb 0.66 -1.76 0.62 0.00 -0.91 0.00 0.00 33.84 32.44 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 -3.87 0.00 -2.58 7.52 4.32 -0.07 -4.05 117.00 118.26 1h2o n LEU 24 Ca -0.39 0.50 -0.01 0.00 -0.02 0.00 0.00 56.01 56.09 1h2o n LEU 24 Cb 0.77 -0.50 0.07 0.00 -1.62 0.00 0.00 43.42 42.15 1h2o n LEU 24 CO 0.02 -0.00 0.28 0.47 -1.22 0.00 0.00 177.39 176.94 1h2o n ASP 25 N -1.50 0.13 0.15 -1.43 9.92 0.74 -4.86 116.55 119.69 1h2o n ASP 25 Ca 0.07 -2.10 0.03 0.00 -0.53 0.00 0.00 54.79 52.26 1h2o n ASP 25 Cb 0.34 0.06 0.08 0.00 -0.64 0.00 0.00 41.12 40.95 1h2o n ASP 25 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1h2o h ALA 26 N 1.69 0.72 0.00 2.24 0.00 -0.25 -2.22 119.26 121.44 1h2o h ALA 26 Ca -0.30 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.18 1h2o h ALA 26 Cb 1.33 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1h2o h ALA 26 CO -0.01 0.59 -0.03 -0.44 0.00 0.00 0.00 179.25 179.36 1h2o h ASP 27 N 0.00 0.00 0.00 0.00 3.32 -1.88 -2.74 116.42 115.12 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 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 1h2o h ASP 27 CO 0.06 0.03 -0.04 -0.46 -1.72 0.00 0.00 179.24 177.11 1h2o n ASN 28 N -3.22 1.54 -0.11 6.45 0.23 -1.20 -4.59 115.26 114.36 1h2o n ASN 28 Ca -0.01 -2.05 -0.22 0.00 -0.53 0.00 0.00 54.58 51.77 1h2o n ASN 28 Cb 0.21 -0.11 -0.09 0.00 -2.08 0.00 0.00 39.78 37.71 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 -0.57 1.89 0.12 -4.53 -0.00 -0.84 -4.22 117.00 108.86 1h2o n LEU 29 Ca 0.04 0.41 -0.01 0.00 -0.00 0.00 0.00 56.01 56.44 1h2o n LEU 29 Cb 0.42 -0.89 0.11 0.00 -0.00 0.00 0.00 43.42 43.06 1h2o n LEU 29 CO 0.00 0.25 0.43 1.62 -0.00 0.00 0.00 177.39 179.69 1h2o h VAL 30 N -1.00 1.37 0.00 1.96 3.04 -1.84 -2.07 116.25 117.71 1h2o h VAL 30 Ca -0.40 -2.38 0.00 0.00 -1.01 0.00 0.00 66.70 62.90 1h2o h VAL 30 Cb 1.29 2.32 0.00 0.00 -2.01 0.00 0.00 31.29 32.90 1h2o h VAL 30 CO -0.24 0.66 0.00 -0.81 -1.01 0.00 0.00 177.57 176.16 1h2o n PRO 31 N -3.58 0.96 0.00 4.17 -0.04 -1.26 -2.78 135.00 132.46 1h2o n PRO 31 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1h2o n PRO 31 Cb 0.70 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 33.04 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 -0.62 2.09 0.06 0.54 4.76 -1.15 -4.74 118.16 119.09 1h2o n LYS 32 Ca 0.06 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.29 1h2o n LYS 32 Cb 0.03 -0.76 -0.15 0.00 -1.84 0.00 0.00 35.03 32.31 1h2o n LYS 32 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1h2o h ILE 33 N 0.00 1.49 -0.98 -0.18 2.04 -1.43 -3.45 117.51 115.00 1h2o h ILE 33 Ca 0.00 -2.55 0.05 0.00 1.00 0.00 0.00 64.86 63.36 1h2o h ILE 33 Cb 0.50 3.19 -0.21 0.00 -0.74 0.00 0.00 36.82 39.56 1h2o h ILE 33 CO 0.00 0.73 -0.33 0.00 0.00 0.00 0.00 178.15 178.54 1h2o s ALA 34 N -2.44 -2.40 -2.00 1.87 0.00 -1.12 -4.99 121.76 110.68 1h2o s ALA 34 Ca -0.13 1.32 0.19 0.00 0.00 0.00 0.00 51.96 53.34 1h2o s ALA 34 Cb 0.01 -2.43 1.15 0.00 0.00 0.00 0.00 23.12 21.86 1h2o s ALA 34 CO 0.84 -1.68 1.55 -0.35 0.00 0.00 0.00 175.76 176.13 1h2o n PRO 35 N 5.42 0.62 0.10 0.00 -0.04 -1.25 -2.55 135.00 137.30 1h2o n PRO 35 Ca 0.03 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.62 1h2o n PRO 35 Cb 0.53 -1.49 0.28 0.00 -0.04 0.00 0.00 33.50 32.79 1h2o n PRO 35 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1h2o h GLN 36 N 0.00 0.00 0.00 0.54 4.20 -1.94 -3.39 115.11 114.52 1h2o h GLN 36 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1h2o h GLN 36 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1h2o h GLN 36 CO 0.00 0.00 -0.31 0.00 -0.67 0.00 0.00 178.83 177.85 1h2o n ALA 37 N -1.85 0.28 -3.02 3.87 0.00 -1.06 -4.57 120.51 114.16 1h2o n ALA 37 Ca 0.04 -0.33 -0.33 0.00 0.00 0.00 0.00 53.44 52.83 1h2o n ALA 37 Cb 0.45 0.01 -0.15 0.00 0.00 0.00 0.00 19.45 19.76 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 -1.71 2.92 -0.14 0.00 1.09 -1.26 -4.03 121.20 118.07 1h2o s ILE 38 Ca -0.09 -0.72 0.20 0.00 -1.10 0.00 0.00 60.65 58.94 1h2o s ILE 38 Cb 0.01 -2.20 0.18 0.00 -1.06 0.00 0.00 42.46 39.39 1h2o s ILE 38 CO 0.13 0.54 1.60 0.50 -0.10 0.00 0.00 174.94 177.61 1h2o h LYS 39 N 6.54 0.00 -1.11 2.79 3.64 0.32 -3.43 116.57 125.33 1h2o h LYS 39 Ca -0.27 0.00 0.33 0.00 -1.27 0.00 0.00 60.65 59.44 1h2o h LYS 39 Cb 1.21 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 32.83 1h2o h LYS 39 CO 0.54 0.30 0.96 -1.58 -2.27 0.00 0.00 179.45 177.40 1h2o s HIS 40 N -3.22 -0.03 -0.06 1.91 5.04 -1.22 -4.96 115.29 112.75 1h2o s HIS 40 Ca 0.04 0.01 -0.00 0.00 -1.54 0.00 0.00 55.06 53.57 1h2o s HIS 40 Cb 0.08 0.50 0.02 0.00 0.04 0.00 0.00 32.58 33.23 1h2o s HIS 40 CO 0.69 -0.05 -0.02 -1.12 -2.34 0.00 0.00 174.74 171.90 1h2o s SER 41 N -2.18 1.33 -0.17 9.88 0.01 -1.26 -0.72 113.70 120.60 1h2o s SER 41 Ca 0.12 -0.12 -0.04 0.00 1.31 0.00 0.00 55.95 57.22 1h2o s SER 41 Cb 0.00 -0.47 0.06 0.00 0.21 0.00 0.00 66.02 65.82 1h2o s SER 41 CO -0.03 -0.13 0.06 -0.70 0.41 0.00 0.00 173.24 172.86 1h2o s GLU 42 N 1.48 0.31 0.28 12.44 2.12 -1.18 -4.88 118.70 129.26 1h2o s GLU 42 Ca -0.02 -0.18 -0.30 0.00 0.36 0.00 0.00 54.97 54.82 1h2o s GLU 42 Cb -0.13 -1.84 -0.13 0.00 0.26 0.00 0.00 34.13 32.29 1h2o s GLU 42 CO -0.03 -0.63 1.42 -0.89 -0.54 0.00 0.00 175.26 174.60 1h2o n ILE 43 N 5.19 1.25 -0.04 -3.70 5.41 -1.26 -2.21 119.36 124.00 1h2o n ILE 43 Ca -0.08 -0.31 -0.01 0.00 1.00 0.00 0.00 62.75 63.35 1h2o n ILE 43 Cb 0.48 -1.63 -0.09 0.00 -0.71 0.00 0.00 39.64 37.70 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 1.77 0.00 -4.35 1.39 7.94 0.57 -4.85 117.00 119.47 1h2o n LEU 44 Ca 0.09 0.00 -0.18 0.00 -1.11 0.00 0.00 56.01 54.81 1h2o n LEU 44 Cb 0.34 0.17 -0.10 0.00 0.53 0.00 0.00 43.42 44.36 1h2o n LEU 44 CO 0.63 0.17 -0.38 0.26 -1.11 0.00 0.00 177.39 176.96 1h2o s TRP 45 N -2.50 1.66 0.00 1.96 0.52 -0.91 -4.84 118.94 114.83 1h2o s TRP 45 Ca -0.05 -0.76 0.00 0.00 0.02 0.00 0.00 56.10 55.31 1h2o s TRP 45 Cb 0.05 -0.90 0.00 0.00 -1.15 0.00 0.00 33.47 31.47 1h2o s TRP 45 CO 0.48 0.16 0.00 0.41 0.02 0.00 0.00 176.95 178.02 1h2o n GLY 46 N -0.42 1.67 0.79 0.98 0.00 -1.26 -3.26 105.19 103.68 1h2o n GLY 46 Ca -0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 46.02 45.72 1h2o n GLY 46 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1h2o n ASP 47 N -1.03 -0.08 0.00 1.61 9.92 -1.26 -4.95 116.55 120.76 1h2o n ASP 47 Ca 0.00 -1.65 0.00 0.00 -0.53 0.00 0.00 54.79 52.61 1h2o n ASP 47 Cb 0.00 -0.02 0.00 0.00 -0.64 0.00 0.00 41.12 40.46 1h2o n ASP 47 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1h2o n GLY 48 N 0.08 1.97 0.01 0.44 0.00 -1.26 -5.10 105.19 101.33 1h2o n GLY 48 Ca -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.10 -1.95 3.71 -0.02 0.00 -1.26 -4.87 105.19 100.69 1h2o n GLY 49 Ca 0.00 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 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 -3.01 4.40 0.00 1.61 0.04 -1.26 -2.68 135.00 134.10 1h2o s PRO 50 Ca 0.00 1.79 0.00 0.00 0.04 0.00 0.00 61.00 62.83 1h2o s PRO 50 Cb -0.00 -3.39 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1h2o s PRO 50 CO 0.00 -0.32 0.00 0.41 0.04 0.00 0.00 177.00 177.13 1h2o n GLY 51 N 3.29 0.92 3.77 0.56 0.00 0.39 -4.96 105.19 109.18 1h2o n GLY 51 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.20 3.29 -0.11 2.61 2.01 -1.09 -4.65 115.64 115.50 1h2o s THR 52 Ca 0.00 0.42 -0.01 0.00 0.31 0.00 0.00 61.69 62.41 1h2o s THR 52 Cb 0.00 -2.98 0.03 0.00 0.01 0.00 0.00 72.50 69.55 1h2o s THR 52 CO 0.00 -0.55 -0.06 -0.63 -0.69 0.00 0.00 174.62 172.69 1h2o s ILE 53 N -2.96 0.89 -0.21 1.82 1.01 -1.20 0.16 121.20 120.71 1h2o s ILE 53 Ca 0.61 -0.21 -0.08 0.00 0.00 0.00 0.00 60.65 60.97 1h2o s ILE 53 Cb -0.16 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.32 1h2o s ILE 53 CO 0.56 0.34 0.09 -0.54 0.00 0.00 0.00 174.94 175.39 1h2o s LYS 54 N 1.76 3.95 -0.79 2.79 1.02 0.30 0.21 119.74 128.99 1h2o s LYS 54 Ca 0.05 -0.34 -0.16 0.00 0.02 0.00 0.00 55.97 55.53 1h2o s LYS 54 Cb -0.12 -3.32 0.17 0.00 -0.52 0.00 0.00 37.83 34.04 1h2o s LYS 54 CO -0.08 0.15 0.84 0.15 -0.92 0.00 0.00 175.35 175.49 1h2o s LYS 55 N 0.73 3.45 0.28 1.68 1.02 -0.94 0.15 119.74 126.11 1h2o s LYS 55 Ca 0.05 -1.99 -0.28 0.00 0.02 0.00 0.00 55.97 53.76 1h2o s LYS 55 Cb -0.13 -4.52 -0.09 0.00 -0.52 0.00 0.00 37.83 32.56 1h2o s LYS 55 CO 0.02 -1.48 0.94 0.42 -0.92 0.00 0.00 175.35 174.33 1h2o s ILE 56 N 1.46 4.12 0.15 2.17 1.01 -0.13 -3.11 121.20 126.87 1h2o s ILE 56 Ca 0.20 1.97 0.09 0.00 0.00 0.00 0.00 60.65 62.91 1h2o s ILE 56 Cb -0.13 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 1h2o s ILE 56 CO -0.05 0.35 -0.17 0.42 0.00 0.00 0.00 174.94 175.49 1h2o s THR 57 N -1.37 2.86 0.06 2.92 -4.23 0.10 0.11 115.64 116.09 1h2o s THR 57 Ca 0.45 -1.65 0.08 0.00 -1.18 0.00 0.00 61.69 59.40 1h2o s THR 57 Cb -0.23 -2.35 -0.03 0.00 1.34 0.00 0.00 72.50 71.23 1h2o s THR 57 CO 0.29 -0.00 -0.21 -0.36 -0.54 0.00 0.00 174.62 173.79 1h2o s PHE 58 N -1.40 2.47 -0.06 3.99 0.08 0.74 0.26 117.98 124.06 1h2o s PHE 58 Ca 0.20 -0.31 -0.30 0.00 0.12 0.00 0.00 56.93 56.65 1h2o s PHE 58 Cb -0.10 -1.41 -0.05 0.00 -0.57 0.00 0.00 43.02 40.89 1h2o s PHE 58 CO 0.12 0.24 1.47 0.20 -0.10 0.00 0.00 175.22 177.15 1h2o s GLY 59 N -1.52 1.67 0.16 4.36 0.00 -1.26 -4.09 107.32 106.65 1h2o s GLY 59 Ca 0.14 0.82 -0.06 0.00 0.00 0.00 0.00 44.72 45.62 1h2o s GLY 59 CO 0.05 2.72 0.21 -0.54 0.00 0.00 0.00 173.10 175.54 1h2o s GLU 60 N 3.28 1.10 0.00 2.90 2.02 -1.26 -4.96 118.70 121.78 1h2o s GLU 60 Ca 0.66 -1.28 0.00 0.00 0.02 0.00 0.00 54.97 54.37 1h2o s GLU 60 Cb -0.30 0.33 0.00 0.00 0.10 0.00 0.00 34.13 34.26 1h2o s GLU 60 CO 0.25 -0.38 0.00 0.41 0.02 0.00 0.00 175.26 175.56 1h2o n GLY 61 N -0.18 -1.36 0.27 -1.39 0.00 -1.26 -4.70 105.19 96.57 1h2o n GLY 61 Ca -0.06 -0.60 0.09 0.00 0.00 0.00 0.00 46.02 45.45 1h2o n GLY 61 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1h2o h SER 62 N 0.00 0.00 -3.74 1.61 4.64 -2.04 -3.41 113.55 110.60 1h2o h SER 62 Ca 0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.83 1h2o h SER 62 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1h2o h SER 62 CO 0.00 0.00 0.28 -1.10 -0.87 0.00 0.00 176.83 175.14 1h2o s GLN 63 N -4.98 4.58 0.05 4.77 -0.21 -1.26 -5.05 119.66 117.55 1h2o s GLN 63 Ca -0.05 1.25 -0.07 0.00 0.02 0.00 0.00 55.36 56.52 1h2o s GLN 63 Cb 0.17 -2.98 -0.05 0.00 1.00 0.00 0.00 33.01 31.14 1h2o s GLN 63 CO 0.65 0.39 0.31 -0.47 -2.12 0.00 0.00 175.29 174.05 1h2o s TYR 64 N -1.44 3.56 -0.33 0.91 6.14 -1.26 -4.48 117.35 120.45 1h2o s TYR 64 Ca 0.45 0.60 -0.01 0.00 0.64 0.00 0.00 57.07 58.75 1h2o s TYR 64 Cb -0.20 -2.02 0.11 0.00 0.42 0.00 0.00 41.96 40.27 1h2o s TYR 64 CO 0.25 0.56 0.15 0.20 0.64 0.00 0.00 175.55 177.36 1h2o s GLY 65 N -1.87 0.95 0.23 8.97 0.00 -1.26 -5.04 107.32 109.30 1h2o s GLY 65 Ca 0.31 -1.67 0.01 0.00 0.00 0.00 0.00 44.72 43.37 1h2o s GLY 65 CO 0.18 1.83 0.09 -2.52 0.00 0.00 0.00 173.10 172.69 1h2o s TYR 66 N 1.47 1.38 0.28 1.90 -0.85 -1.26 0.26 117.35 120.53 1h2o s TYR 66 Ca 0.12 -1.21 0.04 0.00 -0.52 0.00 0.00 57.07 55.50 1h2o s TYR 66 Cb -0.19 -0.77 -0.03 0.00 0.38 0.00 0.00 41.96 41.34 1h2o s TYR 66 CO -0.20 -0.40 0.21 0.14 -1.52 0.00 0.00 175.55 173.78 1h2o s VAL 67 N -3.86 0.03 -0.26 -3.49 -7.23 0.30 -4.27 120.40 101.63 1h2o s VAL 67 Ca 0.36 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.51 1h2o s VAL 67 Cb 0.07 -2.50 0.08 0.00 0.56 0.00 0.00 36.38 34.60 1h2o s VAL 67 CO 0.12 0.00 0.07 -0.54 -0.31 0.00 0.00 175.10 174.43 1h2o s LYS 68 N -3.75 0.69 -0.17 4.82 1.02 -1.15 -0.96 119.74 120.25 1h2o s LYS 68 Ca 0.40 -0.75 -0.14 0.00 0.02 0.00 0.00 55.97 55.49 1h2o s LYS 68 Cb 0.04 -1.99 -0.05 0.00 -0.52 0.00 0.00 37.83 35.31 1h2o s LYS 68 CO 0.21 -0.83 0.30 -1.01 -0.92 0.00 0.00 175.35 173.10 1h2o s HIS 69 N 1.75 3.45 -0.32 3.18 3.76 0.12 -2.10 115.29 125.13 1h2o s HIS 69 Ca 0.04 0.59 -0.15 0.00 -0.15 0.00 0.00 55.06 55.39 1h2o s HIS 69 Cb -0.17 -2.35 -0.02 0.00 1.11 0.00 0.00 32.58 31.14 1h2o s HIS 69 CO -0.18 0.21 0.36 0.21 -0.85 0.00 0.00 174.74 174.49 1h2o s LYS 70 N 0.55 3.70 0.15 1.40 2.20 0.52 0.11 119.74 128.37 1h2o s LYS 70 Ca 0.16 -0.30 -0.33 0.00 -0.36 0.00 0.00 55.97 55.15 1h2o s LYS 70 Cb -0.13 -3.76 -0.13 0.00 -1.51 0.00 0.00 37.83 32.30 1h2o s LYS 70 CO 0.04 -0.45 1.68 -0.89 -0.36 0.00 0.00 175.35 175.37 1h2o n ILE 71 N 5.21 0.10 -0.12 5.43 2.08 0.42 0.11 119.36 132.58 1h2o n ILE 71 Ca -0.09 -0.02 -0.21 0.00 0.56 0.00 0.00 62.75 62.99 1h2o n ILE 71 Cb 0.50 -1.78 -0.10 0.00 -0.75 0.00 0.00 39.64 37.51 1h2o n ILE 71 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1h2o n ASP 72 N 4.13 2.01 -3.58 4.38 8.00 0.27 0.15 116.55 131.92 1h2o n ASP 72 Ca 0.17 0.04 -0.05 0.00 0.71 0.00 0.00 54.79 55.66 1h2o n ASP 72 Cb 0.32 -0.52 -0.02 0.00 -0.02 0.00 0.00 41.12 40.87 1h2o n ASP 72 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1h2o s SER 73 N -6.70 -0.18 0.05 -2.24 1.04 0.00 -4.60 113.70 101.07 1h2o s SER 73 Ca -0.34 0.03 -0.00 0.00 0.48 0.00 0.00 55.95 56.12 1h2o s SER 73 Cb 0.10 0.19 -0.04 0.00 0.10 0.00 0.00 66.02 66.38 1h2o s SER 73 CO 0.51 -0.29 -0.04 -0.63 0.98 0.00 0.00 173.24 173.78 1h2o s ILE 74 N -2.36 0.27 -0.48 -1.02 1.01 -1.26 -0.63 121.20 116.73 1h2o s ILE 74 Ca 0.08 -1.60 0.04 0.00 0.00 0.00 0.00 60.65 59.17 1h2o s ILE 74 Cb -0.01 -1.23 0.18 0.00 0.01 0.00 0.00 42.46 41.41 1h2o s ILE 74 CO -0.05 -0.85 0.39 0.47 0.00 0.00 0.00 174.94 174.90 1h2o n ASP 75 N 0.47 0.37 0.26 3.58 8.00 -0.22 -4.93 116.55 124.07 1h2o n ASP 75 Ca -0.16 -2.59 0.17 0.00 0.71 0.00 0.00 54.79 52.92 1h2o n ASP 75 Cb 0.59 -0.60 0.90 0.00 -0.02 0.00 0.00 41.12 42.00 1h2o n ASP 75 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1h2o h LYS 76 N 5.45 0.00 0.01 -1.24 3.64 -1.96 2.22 116.57 124.69 1h2o h LYS 76 Ca 0.23 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.30 1h2o h LYS 76 Cb 0.87 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.64 1h2o h LYS 76 CO 0.46 0.00 -1.88 0.39 -2.27 0.00 0.00 179.45 176.14 1h2o n GLU 77 N -2.72 0.65 0.00 1.90 1.02 -1.26 -4.13 120.64 116.10 1h2o n GLU 77 Ca -0.02 0.23 0.09 0.00 -0.02 0.00 0.00 57.16 57.44 1h2o n GLU 77 Cb 0.08 -1.73 0.02 0.00 -0.02 0.00 0.00 31.44 29.80 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 -3.01 2.01 -3.33 1.62 3.02 -0.56 -5.00 115.26 110.02 1h2o n ASN 78 Ca -0.22 -1.50 -0.16 0.00 -0.03 0.00 0.00 54.58 52.67 1h2o n ASN 78 Cb 1.07 0.32 0.08 0.00 -0.61 0.00 0.00 39.78 40.65 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 0.28 -2.30 -4.27 3.10 4.01 0.74 -4.19 117.16 114.53 1h2o n TYR 79 Ca 0.09 0.90 -0.17 0.00 -0.16 0.00 0.00 57.90 58.55 1h2o n TYR 79 Cb 0.41 -4.63 -0.10 0.00 -0.31 0.00 0.00 39.34 34.70 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 -3.91 2.06 -0.04 7.72 0.01 -0.94 0.70 113.70 119.31 1h2o s SER 80 Ca 0.21 -0.92 -0.03 0.00 1.31 0.00 0.00 55.95 56.51 1h2o s SER 80 Cb -0.03 -0.06 0.01 0.00 0.21 0.00 0.00 66.02 66.15 1h2o s SER 80 CO 0.73 -0.21 0.09 -0.47 0.41 0.00 0.00 173.24 173.79 1h2o s TYR 81 N -2.72 -0.10 -0.04 2.43 5.04 0.40 -1.06 117.35 121.30 1h2o s TYR 81 Ca 0.15 0.26 -0.02 0.00 -2.44 0.00 0.00 57.07 55.02 1h2o s TYR 81 Cb -0.02 0.02 0.03 0.00 0.35 0.00 0.00 41.96 42.34 1h2o s TYR 81 CO 0.03 -0.06 0.09 -1.12 -1.34 0.00 0.00 175.55 173.16 1h2o s SER 82 N 0.17 -0.05 0.25 4.32 0.01 0.20 0.19 113.70 118.80 1h2o s SER 82 Ca -0.01 0.19 -0.10 0.00 1.31 0.00 0.00 55.95 57.34 1h2o s SER 82 Cb -0.02 0.10 -0.01 0.00 0.21 0.00 0.00 66.02 66.30 1h2o s SER 82 CO -0.00 -0.12 0.43 -0.72 0.41 0.00 0.00 173.24 173.24 1h2o s TYR 83 N 0.90 0.56 -0.08 2.43 1.13 0.10 0.98 117.35 123.36 1h2o s TYR 83 Ca -0.07 -0.89 0.03 0.00 -1.41 0.00 0.00 57.07 54.73 1h2o s TYR 83 Cb -0.10 0.05 0.01 0.00 -1.10 0.00 0.00 41.96 40.83 1h2o s TYR 83 CO -0.04 -0.96 -0.15 0.99 -2.51 0.00 0.00 175.55 172.89 1h2o s THR 84 N -3.92 1.35 -0.12 -3.49 2.01 0.30 0.16 115.64 111.92 1h2o s THR 84 Ca 0.26 -0.60 -0.13 0.00 0.31 0.00 0.00 61.69 61.53 1h2o s THR 84 Cb 0.01 -1.21 -0.05 0.00 0.01 0.00 0.00 72.50 71.26 1h2o s THR 84 CO 0.11 0.40 0.31 -0.22 -0.69 0.00 0.00 174.62 174.53 1h2o s LEU 85 N 0.64 4.31 -0.10 4.42 2.96 0.26 0.20 118.68 131.37 1h2o s LEU 85 Ca -0.15 0.62 0.05 0.00 -0.22 0.00 0.00 54.13 54.43 1h2o s LEU 85 Cb -0.16 -2.40 -0.10 0.00 0.50 0.00 0.00 46.19 44.04 1h2o s LEU 85 CO 0.04 0.18 -0.02 2.30 -1.32 0.00 0.00 176.35 177.54 1h2o n ILE 86 N 2.99 0.63 -4.34 6.68 -5.35 -0.89 -0.94 119.36 118.14 1h2o n ILE 86 Ca -0.13 -0.33 -0.26 0.00 -0.27 0.00 0.00 62.75 61.75 1h2o n ILE 86 Cb 0.52 -0.81 -0.10 0.00 -1.74 0.00 0.00 39.64 37.51 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 -2.22 1.91 0.00 6.28 2.12 -1.25 -4.85 118.70 120.69 1h2o s GLU 87 Ca -0.08 -1.39 0.00 0.00 0.36 0.00 0.00 54.97 53.86 1h2o s GLU 87 Cb 0.03 -2.05 0.00 0.00 0.26 0.00 0.00 34.13 32.37 1h2o s GLU 87 CO 0.33 0.41 0.00 0.41 -0.54 0.00 0.00 175.26 175.87 1h2o n GLY 88 N -0.04 3.39 0.34 -1.50 0.00 -1.26 -2.92 105.19 103.20 1h2o n GLY 88 Ca -0.10 -0.09 0.23 0.00 0.00 0.00 0.00 46.02 46.06 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 1.19 1.61 3.32 -1.97 0.27 116.42 120.83 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 2.00 1.00 0.00 3.45 0.00 -1.94 -3.00 119.26 120.77 1h2o h ALA 90 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1h2o h ALA 90 Cb 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1h2o h ALA 90 CO 0.00 0.00 -0.25 -0.07 0.00 0.00 0.00 179.25 178.93 1h2o h LEU 91 N 0.00 0.00 0.00 0.00 3.38 -1.28 -3.47 115.31 113.94 1h2o h LEU 91 Ca 0.00 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.13 1h2o h LEU 91 Cb 0.59 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 1h2o h LEU 91 CO 0.00 0.25 -0.21 0.61 0.09 0.00 0.00 178.44 179.18 1h2o n GLY 92 N -0.16 -0.82 0.23 0.83 0.00 -1.14 -1.08 105.19 103.05 1h2o n GLY 92 Ca -0.01 -0.52 0.02 0.00 0.00 0.00 0.00 46.02 45.51 1h2o n GLY 92 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1h2o n ASP 93 N -4.29 0.66 -0.09 1.61 5.68 -1.26 -3.56 116.55 115.30 1h2o n ASP 93 Ca 0.00 -2.00 -0.11 0.00 -0.50 0.00 0.00 54.79 52.18 1h2o n ASP 93 Cb 0.27 -0.09 -0.12 0.00 -1.14 0.00 0.00 41.12 40.04 1h2o n ASP 93 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1h2o n THR 94 N -0.15 1.21 -4.02 2.12 -2.24 -1.22 -4.84 114.28 105.13 1h2o n THR 94 Ca 0.04 -0.63 -0.21 0.00 -2.27 0.00 0.00 64.05 60.97 1h2o n THR 94 Cb 0.11 -0.83 -0.03 0.00 -2.10 0.00 0.00 70.33 67.48 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 -5.65 3.96 0.00 3.22 1.43 -0.24 -2.64 118.68 118.76 1h2o s LEU 95 Ca -0.17 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 1h2o s LEU 95 Cb 0.06 -2.51 0.00 0.00 0.03 0.00 0.00 46.19 43.77 1h2o s LEU 95 CO 0.63 -0.09 0.00 1.21 0.23 0.00 0.00 176.35 178.33 1h2o n GLU 96 N -1.29 0.00 -2.76 1.70 2.13 0.61 -4.64 120.64 116.39 1h2o n GLU 96 Ca -0.07 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.34 1h2o n GLU 96 Cb 0.58 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.24 1h2o n GLU 96 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1h2o s LYS 97 N 0.00 4.71 -0.02 5.31 1.02 -1.14 -4.69 119.74 124.93 1h2o s LYS 97 Ca 0.00 1.42 0.07 0.00 0.02 0.00 0.00 55.97 57.48 1h2o s LYS 97 Cb 0.00 -3.36 -0.02 0.00 -0.52 0.00 0.00 37.83 33.94 1h2o s LYS 97 CO 0.00 0.28 -0.22 0.42 -0.92 0.00 0.00 175.35 174.91 1h2o s ILE 98 N -0.23 1.73 -0.10 2.17 -1.09 -0.11 -0.27 121.20 123.30 1h2o s ILE 98 Ca 0.45 -0.93 0.03 0.00 -2.23 0.00 0.00 60.65 57.97 1h2o s ILE 98 Cb -0.24 -1.44 0.00 0.00 -1.58 0.00 0.00 42.46 39.20 1h2o s ILE 98 CO 0.30 0.49 -0.21 -0.44 -1.23 0.00 0.00 174.94 173.85 1h2o s SER 99 N -0.45 2.80 -0.06 3.58 0.01 -0.27 -0.57 113.70 118.75 1h2o s SER 99 Ca 0.07 -0.51 0.05 0.00 1.31 0.00 0.00 55.95 56.87 1h2o s SER 99 Cb -0.09 -1.28 -0.00 0.00 0.21 0.00 0.00 66.02 64.85 1h2o s SER 99 CO -0.00 0.12 -0.20 -0.31 0.41 0.00 0.00 173.24 173.25 1h2o s TYR 100 N 0.48 2.07 -0.04 2.43 2.02 0.42 0.75 117.35 125.48 1h2o s TYR 100 Ca -0.16 -0.68 0.01 0.00 -0.37 0.00 0.00 57.07 55.87 1h2o s TYR 100 Cb -0.17 -1.39 0.02 0.00 -0.40 0.00 0.00 41.96 40.02 1h2o s TYR 100 CO 0.07 -0.24 -0.03 -2.00 -1.57 0.00 0.00 175.55 171.77 1h2o s GLU 101 N 0.11 0.66 0.02 -0.62 2.12 0.50 0.01 118.70 121.49 1h2o s GLU 101 Ca -0.08 -0.05 0.03 0.00 0.36 0.00 0.00 54.97 55.23 1h2o s GLU 101 Cb -0.14 -0.71 -0.01 0.00 0.26 0.00 0.00 34.13 33.52 1h2o s GLU 101 CO 0.04 -0.09 -0.09 0.99 -0.54 0.00 0.00 175.26 175.57 1h2o s THR 102 N 0.92 0.66 0.01 -1.70 2.01 0.52 0.19 115.64 118.25 1h2o s THR 102 Ca -0.11 -0.67 0.00 0.00 0.31 0.00 0.00 61.69 61.22 1h2o s THR 102 Cb -0.14 -0.61 -0.01 0.00 0.01 0.00 0.00 72.50 71.74 1h2o s THR 102 CO -0.00 -0.04 -0.02 -0.75 -0.69 0.00 0.00 174.62 173.12 1h2o s LYS 103 N -0.78 0.19 0.18 4.92 2.20 0.47 0.15 119.74 127.07 1h2o s LYS 103 Ca -0.01 -0.31 0.07 0.00 -0.36 0.00 0.00 55.97 55.36 1h2o s LYS 103 Cb -0.06 -0.00 -0.04 0.00 -1.51 0.00 0.00 37.83 36.22 1h2o s LYS 103 CO 0.00 -0.01 0.04 -0.51 -0.36 0.00 0.00 175.35 174.52 1h2o s LEU 104 N -0.70 3.46 0.00 5.43 1.43 0.22 0.19 118.68 128.71 1h2o s LEU 104 Ca -0.07 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 1h2o s LEU 104 Cb -0.05 -2.09 0.00 0.00 0.03 0.00 0.00 46.19 44.08 1h2o s LEU 104 CO -0.00 0.08 0.00 0.52 0.23 0.00 0.00 176.35 177.17 1h2o n VAL 105 N -0.24 0.00 -4.38 -1.59 0.31 0.50 -4.77 118.33 108.16 1h2o n VAL 105 Ca -0.09 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.00 1h2o n VAL 105 Cb 0.55 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.37 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 -1.44 2.26 0.33 3.52 0.00 -1.26 -0.87 121.76 124.30 1h2o s ALA 106 Ca 0.00 -1.56 0.09 0.00 0.00 0.00 0.00 51.96 50.49 1h2o s ALA 106 Cb 0.00 -0.26 -0.05 0.00 0.00 0.00 0.00 23.12 22.82 1h2o s ALA 106 CO 0.00 0.33 0.05 -1.54 0.00 0.00 0.00 175.76 174.60 1h2o s SER 107 N -2.66 4.35 0.00 0.00 1.04 -1.22 -4.43 113.70 110.78 1h2o s SER 107 Ca 0.18 -0.90 0.20 0.00 0.48 0.00 0.00 55.95 55.91 1h2o s SER 107 Cb -0.07 -0.61 1.13 0.00 0.10 0.00 0.00 66.02 66.57 1h2o s SER 107 CO 0.08 -0.24 1.59 -0.81 0.98 0.00 0.00 173.24 174.85 1h2o n PRO 108 N -1.01 0.52 -0.00 4.02 -0.04 -1.26 -2.60 135.00 134.62 1h2o n PRO 108 Ca -0.04 0.03 0.06 0.00 -0.04 0.00 0.00 63.50 63.51 1h2o n PRO 108 Cb 0.62 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.45 1h2o n PRO 108 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1h2o n SER 109 N -1.09 0.24 0.00 3.54 2.88 -1.26 -4.99 113.62 112.94 1h2o n SER 109 Ca 0.13 0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 1h2o n SER 109 Cb 0.10 1.34 0.00 0.00 -0.75 0.00 0.00 64.21 64.90 1h2o n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1h2o n GLY 110 N 1.36 2.99 0.00 0.46 0.00 -1.07 -5.09 105.19 103.84 1h2o n GLY 110 Ca -0.10 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 -3.18 3.24 -0.02 0.00 -1.26 -4.72 105.19 99.24 1h2o n GLY 111 Ca 0.00 -0.96 -0.12 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.99 -0.44 0.37 1.61 1.04 0.27 -3.45 113.70 111.12 1h2o s SER 112 Ca 0.00 0.79 -0.19 0.00 0.48 0.00 0.00 55.95 57.04 1h2o s SER 112 Cb 0.00 0.72 -0.10 0.00 0.10 0.00 0.00 66.02 66.74 1h2o s SER 112 CO 0.00 -0.17 0.85 -0.63 0.98 0.00 0.00 173.24 174.27 1h2o s ILE 113 N 1.00 4.51 -0.18 -1.02 1.01 -0.05 0.05 121.20 126.51 1h2o s ILE 113 Ca -0.06 1.27 -0.01 0.00 0.00 0.00 0.00 60.65 61.85 1h2o s ILE 113 Cb -0.07 -3.63 0.05 0.00 0.01 0.00 0.00 42.46 38.82 1h2o s ILE 113 CO -0.08 -0.22 -0.03 -0.63 0.00 0.00 0.00 174.94 173.97 1h2o s ILE 114 N -2.05 1.05 -0.24 2.92 1.01 0.14 0.19 121.20 124.22 1h2o s ILE 114 Ca 0.57 -0.70 -0.15 0.00 0.00 0.00 0.00 60.65 60.38 1h2o s ILE 114 Cb -0.10 -1.30 -0.04 0.00 0.01 0.00 0.00 42.46 41.03 1h2o s ILE 114 CO 0.16 0.03 0.39 -0.75 0.00 0.00 0.00 174.94 174.76 1h2o s LYS 115 N 1.65 4.09 0.08 2.79 2.20 0.51 -2.53 119.74 128.52 1h2o s LYS 115 Ca -0.01 0.12 0.08 0.00 -0.36 0.00 0.00 55.97 55.81 1h2o s LYS 115 Cb -0.16 -3.60 -0.04 0.00 -1.51 0.00 0.00 37.83 32.52 1h2o s LYS 115 CO -0.07 -0.18 -0.20 0.45 -0.36 0.00 0.00 175.35 174.99 1h2o s SER 116 N 1.37 3.73 -0.15 1.43 0.15 0.05 0.18 113.70 120.46 1h2o s SER 116 Ca 0.17 -0.52 -0.08 0.00 0.70 0.00 0.00 55.95 56.22 1h2o s SER 116 Cb -0.15 -0.52 0.06 0.00 -1.71 0.00 0.00 66.02 63.69 1h2o s SER 116 CO 0.09 0.22 0.37 -0.89 1.20 0.00 0.00 173.24 174.23 1h2o s THR 117 N -1.01 -0.08 0.13 6.45 2.01 0.51 -0.27 115.64 123.38 1h2o s THR 117 Ca 0.15 0.12 0.06 0.00 0.31 0.00 0.00 61.69 62.34 1h2o s THR 117 Cb -0.10 -0.55 -0.04 0.00 0.01 0.00 0.00 72.50 71.82 1h2o s THR 117 CO 0.07 0.05 -0.15 -0.55 -0.69 0.00 0.00 174.62 173.34 1h2o s SER 118 N 1.47 2.14 -0.08 3.53 0.15 0.35 0.19 113.70 121.44 1h2o s SER 118 Ca -0.09 -0.80 -0.01 0.00 0.70 0.00 0.00 55.95 55.76 1h2o s SER 118 Cb -0.09 -0.09 0.03 0.00 -1.71 0.00 0.00 66.02 64.16 1h2o s SER 118 CO -0.12 -0.11 -0.04 -1.00 1.20 0.00 0.00 173.24 173.18 1h2o s HIS 119 N -2.01 1.01 -0.28 3.44 3.76 0.23 0.36 115.29 121.80 1h2o s HIS 119 Ca 0.09 -0.40 -0.15 0.00 -0.15 0.00 0.00 55.06 54.45 1h2o s HIS 119 Cb -0.06 -0.95 -0.03 0.00 1.11 0.00 0.00 32.58 32.65 1h2o s HIS 119 CO 0.04 -0.37 0.40 0.71 -0.85 0.00 0.00 174.74 174.66 1h2o s TYR 120 N 1.67 3.24 -0.47 1.40 1.51 -0.92 -1.11 117.35 122.67 1h2o s TYR 120 Ca 0.02 0.39 -0.18 0.00 -1.01 0.00 0.00 57.07 56.29 1h2o s TYR 120 Cb -0.13 -2.62 0.04 0.00 -0.11 0.00 0.00 41.96 39.15 1h2o s TYR 120 CO -0.05 -0.27 0.54 -1.01 -1.11 0.00 0.00 175.55 173.65 1h2o s HIS 121 N 2.11 3.11 0.57 2.71 3.76 0.62 0.22 115.29 128.40 1h2o s HIS 121 Ca 0.16 -0.48 -0.15 0.00 -0.15 0.00 0.00 55.06 54.44 1h2o s HIS 121 Cb -0.16 -3.26 -0.05 0.00 1.11 0.00 0.00 32.58 30.22 1h2o s HIS 121 CO 0.10 -0.88 1.02 0.95 -0.85 0.00 0.00 174.74 175.08 1h2o s THR 122 N 2.37 4.30 -0.23 1.30 -4.23 -1.25 -0.29 115.64 117.60 1h2o s THR 122 Ca 0.14 1.01 0.02 0.00 -1.18 0.00 0.00 61.69 61.68 1h2o s THR 122 Cb -0.19 -3.61 0.04 0.00 1.34 0.00 0.00 72.50 70.09 1h2o s THR 122 CO 0.13 -0.71 -0.13 -0.75 -0.54 0.00 0.00 174.62 172.61 1h2o s LYS 123 N -4.31 2.52 1.11 3.99 2.20 -1.08 -4.78 119.74 119.39 1h2o s LYS 123 Ca 0.60 -1.16 0.00 0.00 -0.36 0.00 0.00 55.97 55.05 1h2o s LYS 123 Cb -0.12 -2.80 0.00 0.00 -1.51 0.00 0.00 37.83 33.40 1h2o s LYS 123 CO 0.38 -0.45 0.00 0.41 -0.36 0.00 0.00 175.35 175.34 1h2o n GLY 124 N 4.51 0.89 2.89 5.54 0.00 -1.26 -4.57 105.19 113.19 1h2o n GLY 124 Ca -0.16 -1.37 -0.33 0.00 0.00 0.00 0.00 46.02 44.15 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 1.21 4.18 -4.17 1.61 5.15 -1.26 -5.04 115.26 116.95 1h2o n ASN 125 Ca 0.00 -3.26 -0.10 0.00 -0.60 0.00 0.00 54.58 50.62 1h2o n ASN 125 Cb 0.00 -0.94 -0.10 0.00 -0.53 0.00 0.00 39.78 38.21 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 -1.85 0.50 0.04 3.44 -7.23 -1.26 -5.13 120.40 108.91 1h2o s VAL 126 Ca 0.31 -1.91 -0.03 0.00 -1.81 0.00 0.00 61.98 58.53 1h2o s VAL 126 Cb 0.00 -1.80 -0.02 0.00 0.56 0.00 0.00 36.38 35.13 1h2o s VAL 126 CO -0.08 -0.75 0.03 -1.61 -0.31 0.00 0.00 175.10 172.38 1h2o s GLU 127 N -3.90 0.55 0.80 4.82 2.02 -1.26 -4.88 118.70 116.84 1h2o s GLU 127 Ca 0.15 -0.88 -0.09 0.00 0.02 0.00 0.00 54.97 54.17 1h2o s GLU 127 Cb 0.06 0.20 0.11 0.00 0.10 0.00 0.00 34.13 34.61 1h2o s GLU 127 CO -0.03 -0.12 1.12 0.42 0.02 0.00 0.00 175.26 176.67 1h2o s ILE 128 N -2.84 2.13 0.02 -1.63 1.09 -1.26 -5.00 121.20 113.71 1h2o s ILE 128 Ca -0.03 -0.20 0.08 0.00 -1.10 0.00 0.00 60.65 59.40 1h2o s ILE 128 Cb 0.00 -2.93 -0.03 0.00 -1.06 0.00 0.00 42.46 38.44 1h2o s ILE 128 CO -0.06 0.00 -0.25 -0.54 -0.10 0.00 0.00 174.94 173.99 1h2o s LYS 129 N -5.46 1.96 0.44 2.79 1.02 -1.26 -5.00 119.74 114.23 1h2o s LYS 129 Ca 0.65 -1.02 0.25 0.00 0.02 0.00 0.00 55.97 55.87 1h2o s LYS 129 Cb -0.08 -2.04 1.26 0.00 -0.52 0.00 0.00 37.83 36.45 1h2o s LYS 129 CO 0.48 0.53 1.77 0.93 -0.92 0.00 0.00 175.35 178.14 1h2o h GLU 130 N 4.99 0.24 -0.18 1.68 5.08 -1.99 0.79 114.58 125.20 1h2o h GLU 130 Ca -0.46 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 57.84 1h2o h GLU 130 Cb 1.14 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1h2o h GLU 130 CO 0.45 0.16 -0.09 1.49 -1.00 0.00 0.00 179.01 180.03 1h2o h GLU 131 N 0.25 0.28 0.02 2.33 4.81 -1.97 0.93 114.58 121.22 1h2o h GLU 131 Ca 0.60 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.77 1h2o h GLU 131 Cb 1.82 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 31.15 1h2o h GLU 131 CO -0.22 0.38 -0.01 1.25 -0.73 0.00 0.00 179.01 179.68 1h2o h HIS 132 N 0.26 -0.02 -0.84 0.92 2.76 0.19 0.94 115.15 119.36 1h2o h HIS 132 Ca 0.06 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1h2o h HIS 132 Cb 0.33 0.01 -0.04 0.00 1.55 0.00 0.00 27.41 29.26 1h2o h HIS 132 CO 0.01 0.73 0.51 0.28 -1.30 0.00 0.00 177.93 178.15 1h2o h VAL 133 N -0.91 1.23 0.05 5.26 2.07 -1.30 0.16 116.25 122.80 1h2o h VAL 133 Ca -0.00 -0.49 -0.15 0.00 0.82 0.00 0.00 66.70 66.88 1h2o h VAL 133 Cb 0.76 0.04 0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1h2o h VAL 133 CO 0.00 0.24 -0.60 0.11 0.02 0.00 0.00 177.57 177.34 1h2o h LYS 134 N 1.15 0.33 -0.72 1.57 1.79 -0.90 -3.08 116.57 116.70 1h2o h LYS 134 Ca 0.30 -0.41 -0.03 0.00 -2.18 0.00 0.00 60.65 58.33 1h2o h LYS 134 Cb -0.06 0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 30.69 1h2o h LYS 134 CO -0.06 1.12 0.34 0.00 -1.08 0.00 0.00 179.45 179.77 1h2o h ALA 135 N 0.22 1.23 -0.06 3.86 0.00 -0.61 -1.46 119.26 122.44 1h2o h ALA 135 Ca -0.09 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1h2o h ALA 135 Cb 1.37 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1h2o h ALA 135 CO 0.12 0.58 -0.14 0.78 0.00 0.00 0.00 179.25 180.59 1h2o h GLY 136 N 1.08 0.10 1.93 0.00 0.00 -0.75 -1.10 103.07 104.33 1h2o h GLY 136 Ca 0.25 -0.06 -0.19 0.00 0.00 0.00 0.00 47.33 47.33 1h2o h GLY 136 CO -0.03 0.05 -0.90 0.50 0.00 0.00 0.00 176.54 176.16 1h2o h LYS 137 N 0.09 0.06 -0.01 4.80 1.57 -1.20 -2.59 116.57 119.29 1h2o h LYS 137 Ca 0.02 -0.08 -0.21 0.00 -1.87 0.00 0.00 60.65 58.52 1h2o h LYS 137 Cb 0.30 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1h2o h LYS 137 CO 0.02 0.91 -0.88 1.49 -0.57 0.00 0.00 179.45 180.42 1h2o h GLU 138 N 0.03 0.29 -0.12 3.15 4.81 -0.62 -1.64 114.58 120.49 1h2o h GLU 138 Ca -0.02 -0.31 -0.20 0.00 -0.13 0.00 0.00 59.36 58.70 1h2o h GLU 138 Cb 1.56 0.09 0.00 0.00 0.63 0.00 0.00 28.75 31.03 1h2o h GLU 138 CO 0.12 1.01 -0.74 0.87 -0.73 0.00 0.00 179.01 179.53 1h2o h LYS 139 N 0.17 0.59 -0.02 1.92 1.57 -1.25 -2.59 116.57 116.96 1h2o h LYS 139 Ca -0.06 -0.48 -0.18 0.00 -1.87 0.00 0.00 60.65 58.07 1h2o h LYS 139 Cb 1.50 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.90 1h2o h LYS 139 CO 0.14 1.10 -0.78 0.00 -0.57 0.00 0.00 179.45 179.34 1h2o h ALA 140 N 0.77 0.65 -0.04 3.86 0.00 -1.48 -3.15 119.26 119.87 1h2o h ALA 140 Ca -0.04 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.20 1h2o h ALA 140 Cb 1.34 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1h2o h ALA 140 CO 0.14 0.87 -0.01 0.77 0.00 0.00 0.00 179.25 181.02 1h2o h SER 141 N 0.11 0.07 -0.58 0.00 0.02 -1.26 -2.49 113.55 109.42 1h2o h SER 141 Ca -0.03 -0.35 0.11 0.00 -0.84 0.00 0.00 61.79 60.69 1h2o h SER 141 Cb 1.37 -0.02 -0.09 0.00 0.14 0.00 0.00 62.40 63.80 1h2o h SER 141 CO 0.12 0.40 0.09 0.78 -1.14 0.00 0.00 176.83 177.08 1h2o h ASN 142 N -0.26 -0.07 -0.14 3.07 2.35 -1.51 -1.04 115.58 117.98 1h2o h ASN 142 Ca 0.01 0.12 0.03 0.00 -0.55 0.00 0.00 56.30 55.91 1h2o h ASN 142 Cb 0.37 0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.89 1h2o h ASN 142 CO 0.00 -0.02 -0.04 0.25 -1.65 0.00 0.00 177.43 175.98 1h2o h LEU 143 N 0.21 -0.14 -1.49 1.61 5.85 -1.49 -0.53 115.31 119.34 1h2o h LEU 143 Ca 0.30 0.04 0.18 0.00 0.84 0.00 0.00 57.88 59.25 1h2o h LEU 143 Cb 0.46 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.51 1h2o h LEU 143 CO -0.42 -0.05 0.57 -0.26 -0.34 0.00 0.00 178.44 177.94 1h2o h PHE 144 N -0.00 0.58 0.00 1.25 0.04 -0.76 0.67 116.94 118.71 1h2o h PHE 144 Ca 0.07 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.86 1h2o h PHE 144 Cb 0.11 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.08 1h2o h PHE 144 CO -0.18 0.18 0.00 0.87 -0.60 0.00 0.00 178.31 178.58 1h2o h LYS 145 N 0.46 0.00 0.13 1.51 1.57 -0.12 -2.62 116.57 117.49 1h2o h LYS 145 Ca 0.44 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.93 1h2o h LYS 145 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.33 1h2o h LYS 145 CO -0.17 0.00 -1.42 -0.07 -0.57 0.00 0.00 179.45 177.22 1h2o h LEU 146 N 0.00 0.43 -0.18 2.94 3.38 0.17 -3.10 115.31 118.95 1h2o h LEU 146 Ca 0.00 -0.54 -0.07 0.00 0.09 0.00 0.00 57.88 57.36 1h2o h LEU 146 Cb 0.83 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 1h2o h LEU 146 CO 0.00 1.43 -0.17 0.40 0.09 0.00 0.00 178.44 180.20 1h2o h ILE 147 N 0.08 1.33 -1.00 1.22 2.04 -1.08 -2.52 117.51 117.58 1h2o h ILE 147 Ca -0.20 -1.31 0.15 0.00 1.00 0.00 0.00 64.86 64.49 1h2o h ILE 147 Cb 2.01 1.79 -0.09 0.00 -0.74 0.00 0.00 36.82 39.78 1h2o h ILE 147 CO 0.19 0.40 0.61 -0.33 0.00 0.00 0.00 178.15 179.01 1h2o h GLU 148 N 0.09 0.86 0.00 2.37 5.08 -1.57 0.44 114.58 121.86 1h2o h GLU 148 Ca 0.03 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 1h2o h GLU 148 Cb 0.70 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1h2o h GLU 148 CO 0.04 0.57 -0.30 1.15 -1.00 0.00 0.00 179.01 179.47 1h2o h THR 149 N 0.89 1.04 -0.15 1.13 2.02 -1.44 0.18 112.91 116.58 1h2o h THR 149 Ca 0.53 -1.09 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 1h2o h THR 149 Cb 0.65 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.67 1h2o h THR 149 CO -0.31 0.29 0.06 0.22 0.37 0.00 0.00 175.52 176.15 1h2o h TYR 150 N 0.00 0.24 0.19 3.16 3.20 0.30 -1.93 116.97 122.13 1h2o h TYR 150 Ca -0.00 -0.02 -0.31 0.00 3.14 0.00 0.00 58.73 61.54 1h2o h TYR 150 Cb 0.59 -0.07 0.02 0.00 1.54 0.00 0.00 36.73 38.82 1h2o h TYR 150 CO 0.00 0.32 -1.37 -0.07 -1.64 0.00 0.00 178.16 175.40 1h2o h LEU 151 N 0.09 0.66 -2.02 2.82 3.38 -1.26 0.71 115.31 119.68 1h2o h LEU 151 Ca 0.05 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.32 1h2o h LEU 151 Cb 0.18 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1h2o h LEU 151 CO -0.00 1.55 0.00 0.50 0.09 0.00 0.00 178.44 180.57 1h2o h LYS 152 N 0.12 0.00 0.00 1.13 1.63 -0.62 -2.76 116.57 116.07 1h2o h LYS 152 Ca -0.20 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.53 1h2o h LYS 152 Cb 2.07 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.69 1h2o h LYS 152 CO 0.24 0.00 -1.25 0.41 -3.45 0.00 0.00 179.45 175.40 1h2o n GLY 153 N -1.12 -0.18 3.22 5.01 0.00 -0.73 -4.88 105.19 106.51 1h2o n GLY 153 Ca -0.02 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.09 3.52 -2.00 1.61 3.76 0.25 -4.89 115.29 115.45 1h2o s HIS 154 Ca -0.02 -2.14 0.08 0.00 -0.15 0.00 0.00 55.06 52.84 1h2o s HIS 154 Cb 0.01 -3.53 0.50 0.00 1.11 0.00 0.00 32.58 30.68 1h2o s HIS 154 CO 0.15 -0.95 1.08 -0.35 -0.85 0.00 0.00 174.74 173.82 1h2o n PRO 155 N 4.19 0.70 0.00 8.40 -0.04 -1.25 -2.51 135.00 144.49 1h2o n PRO 155 Ca 0.03 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.52 1h2o n PRO 155 Cb 0.42 -1.19 -0.01 0.00 -0.04 0.00 0.00 33.50 32.68 1h2o n PRO 155 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1h2o n ASP 156 N -0.69 0.74 -4.56 3.54 5.68 -1.26 -4.69 116.55 115.31 1h2o n ASP 156 Ca 0.06 -0.87 -0.43 0.00 -0.50 0.00 0.00 54.79 53.06 1h2o n ASP 156 Cb 0.03 0.57 -0.04 0.00 -1.14 0.00 0.00 41.12 40.54 1h2o n ASP 156 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1h2o n ALA 157 N -0.50 1.39 -2.10 2.12 0.00 -1.04 -2.75 120.51 117.62 1h2o n ALA 157 Ca 0.02 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1h2o n ALA 157 Cb 0.09 -2.91 0.00 0.00 0.00 0.00 0.00 19.45 16.64 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 12.37 -1.62 -0.99 0.00 0.18 -1.26 -4.99 117.16 120.85 1h2o n TYR 158 Ca 0.35 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.13 1h2o n TYR 158 Cb 0.42 -0.83 0.00 0.00 -0.38 0.00 0.00 39.34 38.55 1h2o n TYR 158 CO 0.00 0.00 0.00 -1.71 -2.08 0.00 0.00 176.86 173.07