#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 1.66 0.02 1.61 1.01 -1.26 -3.40 120.40 120.04 1h2o s VAL 2 Ca 0.00 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 60.92 1h2o s VAL 2 Cb 0.00 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 1h2o s VAL 2 CO 0.00 0.31 0.08 -0.36 0.00 0.00 0.00 175.10 175.14 1h2o s PHE 3 N -0.67 3.26 -0.31 5.22 0.40 -0.97 -4.88 117.98 120.04 1h2o s PHE 3 Ca 0.08 0.16 -0.03 0.00 -0.60 0.00 0.00 56.93 56.54 1h2o s PHE 3 Cb -0.08 -1.70 0.05 0.00 0.51 0.00 0.00 43.02 41.79 1h2o s PHE 3 CO 0.01 0.54 0.03 0.99 0.70 0.00 0.00 175.22 177.48 1h2o s THR 4 N -1.26 3.21 -0.13 0.64 2.01 -1.26 -1.65 115.64 117.19 1h2o s THR 4 Ca 0.25 -1.30 0.03 0.00 0.31 0.00 0.00 61.69 60.98 1h2o s THR 4 Cb -0.12 -2.83 0.01 0.00 0.01 0.00 0.00 72.50 69.57 1h2o s THR 4 CO 0.17 -0.11 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.46 1h2o s TYR 5 N 1.30 2.66 0.03 4.92 2.02 -0.64 -4.98 117.35 122.66 1h2o s TYR 5 Ca -0.04 -1.26 -0.00 0.00 -0.37 0.00 0.00 57.07 55.40 1h2o s TYR 5 Cb -0.20 -1.80 -0.03 0.00 -0.40 0.00 0.00 41.96 39.53 1h2o s TYR 5 CO -0.00 -0.56 -0.03 -1.83 -1.57 0.00 0.00 175.55 171.56 1h2o s GLU 6 N 0.73 0.44 0.24 -0.62 -1.05 -1.26 0.15 118.70 117.32 1h2o s GLU 6 Ca -0.09 -0.86 0.06 0.00 -0.15 0.00 0.00 54.97 53.93 1h2o s GLU 6 Cb -0.16 0.15 -0.05 0.00 -0.44 0.00 0.00 34.13 33.63 1h2o s GLU 6 CO 0.00 -0.07 -0.08 0.45 0.95 0.00 0.00 175.26 176.50 1h2o s SER 7 N -2.07 2.52 -0.07 0.83 0.15 -0.27 -4.92 113.70 109.87 1h2o s SER 7 Ca -0.06 -1.12 -0.03 0.00 0.70 0.00 0.00 55.95 55.43 1h2o s SER 7 Cb -0.02 -0.12 0.04 0.00 -1.71 0.00 0.00 66.02 64.20 1h2o s SER 7 CO -0.05 -0.30 0.14 -1.61 1.20 0.00 0.00 173.24 172.62 1h2o s GLU 8 N -3.72 0.02 0.10 5.44 2.02 -1.26 -0.43 118.70 120.87 1h2o s GLU 8 Ca 0.26 0.50 -0.01 0.00 0.02 0.00 0.00 54.97 55.75 1h2o s GLU 8 Cb 0.02 -0.30 0.00 0.00 0.10 0.00 0.00 34.13 33.96 1h2o s GLU 8 CO 0.09 -0.29 0.14 1.97 0.02 0.00 0.00 175.26 177.19 1h2o n PHE 9 N 5.17 -0.75 -4.19 1.61 -1.74 0.12 -4.99 117.46 112.69 1h2o n PHE 9 Ca -0.07 -0.65 -0.14 0.00 -0.56 0.00 0.00 57.45 56.03 1h2o n PHE 9 Cb 0.50 0.16 -0.08 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 -2.55 0.00 -0.25 1.97 -4.23 -1.26 0.15 115.64 109.47 1h2o s THR 10 Ca 0.08 -1.89 -0.18 0.00 -1.18 0.00 0.00 61.69 58.52 1h2o s THR 10 Cb -0.00 -2.48 0.07 0.00 1.34 0.00 0.00 72.50 71.43 1h2o s THR 10 CO 0.06 0.00 0.63 -0.94 -0.54 0.00 0.00 174.62 173.83 1h2o s SER 11 N -3.21 -0.78 0.26 3.99 1.04 0.36 -4.87 113.70 110.49 1h2o s SER 11 Ca 0.37 1.35 -0.05 0.00 0.48 0.00 0.00 55.95 58.10 1h2o s SER 11 Cb 0.04 1.28 0.30 0.00 0.10 0.00 0.00 66.02 67.74 1h2o s SER 11 CO 0.17 -0.23 1.90 -0.33 0.98 0.00 0.00 173.24 175.72 1h2o h GLU 12 N 6.25 1.18 -6.78 4.02 5.08 -1.91 1.46 114.58 123.88 1h2o h GLU 12 Ca -0.30 -0.12 -0.57 0.00 -1.00 0.00 0.00 59.36 57.37 1h2o h GLU 12 Cb 1.20 -0.24 0.17 0.00 0.50 0.00 0.00 28.75 30.37 1h2o h GLU 12 CO 0.15 0.84 0.00 -0.89 -1.00 0.00 0.00 179.01 178.11 1h2o n ILE 13 N -4.35 3.36 -2.11 3.13 -0.00 -1.26 -4.34 119.36 113.78 1h2o n ILE 13 Ca 0.09 -0.49 -0.40 0.00 -0.00 0.00 0.00 62.75 61.96 1h2o n ILE 13 Cb 0.08 -1.03 -0.02 0.00 -0.00 0.00 0.00 39.64 38.67 1h2o n ILE 13 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 1h2o s PRO 14 N -2.71 4.22 0.25 0.38 0.04 -1.26 -4.16 135.00 131.76 1h2o s PRO 14 Ca 0.75 2.17 0.10 0.00 0.04 0.00 0.00 61.00 64.05 1h2o s PRO 14 Cb -0.41 -2.95 0.27 0.00 0.04 0.00 0.00 34.50 31.45 1h2o s PRO 14 CO 0.49 -0.28 1.56 -1.00 0.04 0.00 0.00 177.00 177.80 1h2o h PRO 15 N 3.12 0.01 0.00 0.56 0.13 -1.90 -2.77 132.00 131.15 1h2o h PRO 15 Ca -0.49 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.60 1h2o h PRO 15 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1h2o h PRO 15 CO 0.64 0.68 -0.15 -1.00 -0.23 0.00 0.00 178.00 177.94 1h2o h PRO 16 N 0.01 0.00 0.09 1.56 0.13 -1.96 0.21 132.00 132.03 1h2o h PRO 16 Ca -0.01 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.90 1h2o h PRO 16 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1h2o h PRO 16 CO 0.09 0.15 -1.11 0.00 -0.23 0.00 0.00 178.00 176.90 1h2o h ARG 17 N 0.00 0.18 -0.01 0.86 3.08 -1.94 -2.80 114.38 113.76 1h2o h ARG 17 Ca -0.00 -0.32 -0.07 0.00 0.07 0.00 0.00 59.98 59.66 1h2o h ARG 17 Cb 0.67 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 1h2o h ARG 17 CO 0.02 1.15 -0.32 1.25 -1.07 0.00 0.00 179.97 181.00 1h2o h LEU 18 N -0.51 0.01 0.64 3.04 6.46 -1.42 -2.33 115.31 121.20 1h2o h LEU 18 Ca -0.24 -0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.48 1h2o h LEU 18 Cb 1.58 -0.00 0.01 0.00 -0.73 0.00 0.00 40.66 41.51 1h2o h LEU 18 CO 0.03 0.33 -0.31 0.15 -0.62 0.00 0.00 178.44 178.02 1h2o h PHE 19 N 0.01 -0.79 -1.00 1.25 3.57 -0.66 0.32 116.94 119.64 1h2o h PHE 19 Ca -0.00 -0.02 0.29 0.00 3.53 0.00 0.00 57.97 61.77 1h2o h PHE 19 Cb 0.57 0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.53 1h2o h PHE 19 CO 0.00 -0.48 0.75 0.87 -2.23 0.00 0.00 178.31 177.22 1h2o h LYS 20 N -1.21 0.00 0.10 1.11 1.57 -1.43 0.25 116.57 116.96 1h2o h LYS 20 Ca -0.09 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1h2o h LYS 20 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.98 1h2o h LYS 20 CO 0.14 0.00 -0.05 0.00 -0.57 0.00 0.00 179.45 178.98 1h2o h ALA 21 N 1.44 -0.25 -0.52 3.86 0.00 -1.03 0.95 119.26 123.70 1h2o h ALA 21 Ca 0.48 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.42 1h2o h ALA 21 Cb 1.98 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.79 1h2o h ALA 21 CO -0.01 -0.24 0.35 0.35 0.00 0.00 0.00 179.25 179.70 1h2o h PHE 22 N -0.46 0.43 0.00 0.00 3.57 0.27 1.40 116.94 122.15 1h2o h PHE 22 Ca -0.01 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1h2o h PHE 22 Cb 0.10 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.69 1h2o h PHE 22 CO 0.03 0.23 -0.67 0.28 -2.23 0.00 0.00 178.31 175.95 1h2o n VAL 23 N -4.47 1.23 1.69 1.41 0.31 0.84 -3.48 118.33 115.86 1h2o n VAL 23 Ca 0.07 0.23 0.14 0.00 -0.01 0.00 0.00 64.34 64.77 1h2o n VAL 23 Cb 0.27 -2.07 0.80 0.00 -0.91 0.00 0.00 33.84 31.93 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 -3.99 0.00 0.00 7.52 4.32 -0.03 -3.56 117.00 121.26 1h2o n LEU 24 Ca -0.09 0.01 0.00 0.00 -0.02 0.00 0.00 56.01 55.90 1h2o n LEU 24 Cb 0.35 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.14 1h2o n LEU 24 CO 0.14 -0.00 0.15 -0.67 -1.22 0.00 0.00 177.39 175.79 1h2o n ASP 25 N -1.01 0.00 -0.32 -1.43 2.03 0.31 -4.84 116.55 111.29 1h2o n ASP 25 Ca 0.20 -1.00 0.16 0.00 0.52 0.00 0.00 54.79 54.67 1h2o n ASP 25 Cb 0.10 0.00 0.35 0.00 -0.72 0.00 0.00 41.12 40.85 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 1.59 0.00 -1.67 0.00 0.18 2.54 119.26 121.89 1h2o h ALA 26 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1h2o h ALA 26 Cb 0.84 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1h2o h ALA 26 CO 0.00 -0.37 0.00 -0.44 0.00 0.00 0.00 179.25 178.44 1h2o h ASP 27 N 0.41 0.00 0.00 0.00 3.32 -1.85 -2.60 116.42 115.70 1h2o h ASP 27 Ca 0.61 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.66 1h2o h ASP 27 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1h2o h ASP 27 CO -0.54 0.00 -0.02 0.59 -1.72 0.00 0.00 179.24 177.55 1h2o n ASN 28 N -2.79 1.23 -0.11 6.45 3.02 0.53 -4.53 115.26 119.05 1h2o n ASN 28 Ca -0.01 -1.72 -0.24 0.00 -0.03 0.00 0.00 54.58 52.58 1h2o n ASN 28 Cb 0.15 -0.04 -0.11 0.00 -0.61 0.00 0.00 39.78 39.17 1h2o n ASN 28 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1h2o n LEU 29 N -0.36 2.22 0.13 3.41 0.00 0.73 -4.32 117.00 118.80 1h2o n LEU 29 Ca 0.01 0.25 0.00 0.00 0.00 0.00 0.00 56.01 56.28 1h2o n LEU 29 Cb 0.38 -0.92 0.05 0.00 0.00 0.00 0.00 43.42 42.94 1h2o n LEU 29 CO 0.00 0.60 0.42 1.62 0.00 0.00 0.00 177.39 180.04 1h2o h VAL 30 N -0.66 1.14 0.00 1.96 3.04 -1.78 -2.73 116.25 117.21 1h2o h VAL 30 Ca -0.55 -2.42 0.00 0.00 -1.01 0.00 0.00 66.70 62.72 1h2o h VAL 30 Cb 1.65 2.44 0.00 0.00 -2.01 0.00 0.00 31.29 33.36 1h2o h VAL 30 CO -0.24 0.61 0.00 -0.81 -1.01 0.00 0.00 177.57 176.13 1h2o n PRO 31 N -3.35 0.91 0.00 4.17 -0.04 -1.26 -2.75 135.00 132.68 1h2o n PRO 31 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1h2o n PRO 31 Cb 0.74 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.99 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 -0.71 2.55 0.08 0.54 5.02 -1.19 -4.69 118.16 119.76 1h2o n LYS 32 Ca 0.09 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.17 1h2o n LYS 32 Cb 0.04 -0.85 -0.15 0.00 -0.02 0.00 0.00 35.03 34.06 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 1.44 -0.93 -0.18 2.04 -1.50 -3.45 117.51 114.93 1h2o h ILE 33 Ca 0.00 -2.59 0.06 0.00 1.00 0.00 0.00 64.86 63.33 1h2o h ILE 33 Cb 0.53 3.15 -0.21 0.00 -0.74 0.00 0.00 36.82 39.55 1h2o h ILE 33 CO 0.00 0.75 -0.32 0.00 0.00 0.00 0.00 178.15 178.58 1h2o s ALA 34 N -2.49 -2.51 -1.95 1.87 0.00 -1.11 -4.99 121.76 110.58 1h2o s ALA 34 Ca -0.12 1.28 0.20 0.00 0.00 0.00 0.00 51.96 53.32 1h2o s ALA 34 Cb 0.02 -2.47 1.19 0.00 0.00 0.00 0.00 23.12 21.85 1h2o s ALA 34 CO 0.87 -1.72 1.59 -0.35 0.00 0.00 0.00 175.76 176.15 1h2o n PRO 35 N 5.40 0.60 0.12 0.00 -0.04 -1.26 -2.54 135.00 137.28 1h2o n PRO 35 Ca 0.04 0.01 0.12 0.00 -0.04 0.00 0.00 63.50 63.63 1h2o n PRO 35 Cb 0.54 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.70 1h2o n PRO 35 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 1h2o h GLN 36 N 0.00 0.00 0.00 0.54 3.07 -1.94 -3.40 115.11 113.38 1h2o h GLN 36 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1h2o h GLN 36 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.58 1h2o h GLN 36 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.83 178.92 1h2o n ALA 37 N -1.95 0.00 -2.83 0.06 0.00 -1.05 -4.26 120.51 110.48 1h2o n ALA 37 Ca 0.04 -0.11 -0.35 0.00 0.00 0.00 0.00 53.44 53.02 1h2o n ALA 37 Cb 0.48 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.83 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 -0.96 4.74 0.20 0.00 1.09 -1.26 -2.91 121.20 122.11 1h2o s ILE 38 Ca 0.00 -0.05 0.15 0.00 -1.10 0.00 0.00 60.65 59.65 1h2o s ILE 38 Cb 0.00 -3.14 0.06 0.00 -1.06 0.00 0.00 42.46 38.32 1h2o s ILE 38 CO 0.00 0.45 1.67 0.50 -0.10 0.00 0.00 174.94 177.46 1h2o h LYS 39 N 6.79 0.00 0.00 2.79 3.64 0.75 -3.43 116.57 127.11 1h2o h LYS 39 Ca -0.37 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 1h2o h LYS 39 Cb 1.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1h2o h LYS 39 CO 0.69 0.48 0.00 1.58 -2.27 0.00 0.00 179.45 179.94 1h2o n HIS 40 N -3.62 0.00 -4.08 1.91 -0.00 -1.24 -4.94 115.22 103.25 1h2o n HIS 40 Ca -0.01 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.47 1h2o n HIS 40 Cb 0.57 0.00 -0.17 0.00 -0.00 0.00 0.00 29.99 30.39 1h2o n HIS 40 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 1h2o s SER 41 N 0.00 1.85 -0.18 0.26 0.01 -1.26 0.17 113.70 114.55 1h2o s SER 41 Ca 0.00 -0.25 -0.02 0.00 1.31 0.00 0.00 55.95 56.99 1h2o s SER 41 Cb 0.00 -0.73 0.05 0.00 0.21 0.00 0.00 66.02 65.55 1h2o s SER 41 CO 0.00 -0.09 0.02 -0.70 0.41 0.00 0.00 173.24 172.89 1h2o s GLU 42 N 1.40 0.74 0.40 12.44 2.12 -1.20 -4.85 118.70 129.75 1h2o s GLU 42 Ca -0.02 -0.37 -0.25 0.00 0.36 0.00 0.00 54.97 54.69 1h2o s GLU 42 Cb -0.13 -1.96 -0.11 0.00 0.26 0.00 0.00 34.13 32.19 1h2o s GLU 42 CO -0.04 -0.58 1.15 -0.89 -0.54 0.00 0.00 175.26 174.37 1h2o n ILE 43 N 5.04 2.43 -0.00 -3.70 5.41 -1.26 -2.34 119.36 124.93 1h2o n ILE 43 Ca -0.09 -0.50 -0.00 0.00 1.00 0.00 0.00 62.75 63.16 1h2o n ILE 43 Cb 0.47 -1.36 -0.01 0.00 -0.71 0.00 0.00 39.64 38.03 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 0.44 0.00 -4.38 1.39 7.94 0.62 -4.84 117.00 118.17 1h2o n LEU 44 Ca 0.08 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.76 1h2o n LEU 44 Cb 0.39 0.02 -0.11 0.00 0.53 0.00 0.00 43.42 44.25 1h2o n LEU 44 CO 0.58 0.02 -0.47 0.26 -1.11 0.00 0.00 177.39 176.67 1h2o s TRP 45 N -2.07 1.95 0.00 1.96 0.52 -0.98 -4.82 118.94 115.50 1h2o s TRP 45 Ca -0.01 -0.46 0.00 0.00 0.02 0.00 0.00 56.10 55.66 1h2o s TRP 45 Cb 0.01 -0.91 0.00 0.00 -1.15 0.00 0.00 33.47 31.42 1h2o s TRP 45 CO 0.06 0.46 0.00 0.41 0.02 0.00 0.00 176.95 177.90 1h2o n GLY 46 N -0.19 1.55 0.84 0.98 0.00 -1.26 -3.14 105.19 103.97 1h2o n GLY 46 Ca -0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.40 -0.01 0.00 1.61 2.03 -1.26 -4.94 116.55 112.59 1h2o n ASP 47 Ca 0.00 -1.73 0.00 0.00 0.52 0.00 0.00 54.79 53.58 1h2o n ASP 47 Cb 0.00 -0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.35 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 0.11 2.02 1.22 0.27 0.00 -1.26 -5.10 105.19 102.44 1h2o n GLY 48 Ca -0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.27 3.71 -0.02 0.00 -1.26 -4.87 105.19 100.48 1h2o n GLY 49 Ca 0.00 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 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 -3.87 4.38 0.00 1.61 0.04 -1.26 -2.63 135.00 133.26 1h2o s PRO 50 Ca 0.24 1.86 0.00 0.00 0.04 0.00 0.00 61.00 63.15 1h2o s PRO 50 Cb -0.02 -3.37 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1h2o s PRO 50 CO 0.18 -0.36 0.00 0.41 0.04 0.00 0.00 177.00 177.28 1h2o n GLY 51 N 3.35 1.59 3.71 0.56 0.00 0.48 -4.96 105.19 109.92 1h2o n GLY 51 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.32 2.49 -0.05 2.61 2.01 -1.08 -4.63 115.64 114.67 1h2o s THR 52 Ca 0.00 0.16 -0.02 0.00 0.31 0.00 0.00 61.69 62.14 1h2o s THR 52 Cb 0.00 -2.65 0.03 0.00 0.01 0.00 0.00 72.50 69.89 1h2o s THR 52 CO 0.00 -0.21 0.04 -0.63 -0.69 0.00 0.00 174.62 173.13 1h2o s ILE 53 N -2.95 0.06 -0.20 1.82 1.01 -1.19 -0.38 121.20 119.38 1h2o s ILE 53 Ca 0.64 0.32 -0.07 0.00 0.00 0.00 0.00 60.65 61.54 1h2o s ILE 53 Cb -0.18 -0.28 -0.04 0.00 0.01 0.00 0.00 42.46 41.97 1h2o s ILE 53 CO 0.57 0.21 0.07 -0.54 0.00 0.00 0.00 174.94 175.25 1h2o s LYS 54 N 2.10 3.90 -0.85 2.79 1.02 0.40 0.23 119.74 129.33 1h2o s LYS 54 Ca 0.05 -0.38 -0.16 0.00 0.02 0.00 0.00 55.97 55.50 1h2o s LYS 54 Cb -0.12 -3.26 0.17 0.00 -0.52 0.00 0.00 37.83 34.11 1h2o s LYS 54 CO -0.04 0.15 0.90 0.21 -0.92 0.00 0.00 175.35 175.65 1h2o s LYS 55 N 0.71 3.55 0.25 1.68 2.20 -0.99 0.41 119.74 127.56 1h2o s LYS 55 Ca 0.04 -2.08 -0.30 0.00 -0.36 0.00 0.00 55.97 53.26 1h2o s LYS 55 Cb -0.13 -4.61 -0.09 0.00 -1.51 0.00 0.00 37.83 31.49 1h2o s LYS 55 CO 0.02 -1.50 0.94 0.42 -0.36 0.00 0.00 175.35 174.87 1h2o s ILE 56 N 1.38 4.08 0.29 5.43 1.01 0.24 -3.25 121.20 130.38 1h2o s ILE 56 Ca 0.23 2.06 0.09 0.00 0.00 0.00 0.00 60.65 63.03 1h2o s ILE 56 Cb -0.09 -4.30 -0.04 0.00 0.01 0.00 0.00 42.46 38.04 1h2o s ILE 56 CO -0.08 0.47 0.09 0.42 0.00 0.00 0.00 174.94 175.84 1h2o s THR 57 N -1.22 3.49 0.36 2.92 -4.23 0.13 0.98 115.64 118.07 1h2o s THR 57 Ca 0.42 -1.74 0.09 0.00 -1.18 0.00 0.00 61.69 59.28 1h2o s THR 57 Cb -0.25 -2.99 -0.06 0.00 1.34 0.00 0.00 72.50 70.53 1h2o s THR 57 CO 0.31 -0.30 0.01 -0.36 -0.54 0.00 0.00 174.62 173.74 1h2o s PHE 58 N -2.32 2.53 0.18 3.99 0.08 0.75 0.12 117.98 123.30 1h2o s PHE 58 Ca 0.34 -0.49 -0.31 0.00 0.12 0.00 0.00 56.93 56.59 1h2o s PHE 58 Cb -0.05 -1.56 -0.17 0.00 -0.57 0.00 0.00 43.02 40.67 1h2o s PHE 58 CO 0.22 0.46 0.82 0.41 -0.10 0.00 0.00 175.22 177.02 1h2o n GLY 59 N -0.96 -0.91 3.81 4.36 0.00 -1.14 -3.92 105.19 106.43 1h2o n GLY 59 Ca -0.04 0.44 -0.39 0.00 0.00 0.00 0.00 46.02 46.03 1h2o n GLY 59 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1h2o s GLU 60 N -0.85 4.17 0.00 1.61 2.12 -1.26 -4.41 118.70 120.08 1h2o s GLU 60 Ca 0.69 0.68 0.00 0.00 0.36 0.00 0.00 54.97 56.70 1h2o s GLU 60 Cb -0.92 -3.25 0.00 0.00 0.26 0.00 0.00 34.13 30.22 1h2o s GLU 60 CO 0.56 0.62 0.00 0.41 -0.54 0.00 0.00 175.26 176.31 1h2o n GLY 61 N 1.82 3.12 0.23 -1.50 0.00 -1.26 -4.97 105.19 102.63 1h2o n GLY 61 Ca -0.11 0.01 0.16 0.00 0.00 0.00 0.00 46.02 46.08 1h2o n GLY 61 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1h2o h SER 62 N 0.00 0.00 -5.03 1.61 0.02 -2.05 -3.43 113.55 104.68 1h2o h SER 62 Ca 0.00 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.82 1h2o h SER 62 Cb 0.00 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 62.35 1h2o h SER 62 CO 0.00 0.00 -0.42 -1.10 -1.14 0.00 0.00 176.83 174.17 1h2o s GLN 63 N -3.66 0.60 0.33 3.45 -0.21 -1.26 -5.14 119.66 113.77 1h2o s GLN 63 Ca -0.00 -0.49 -0.26 0.00 0.02 0.00 0.00 55.36 54.62 1h2o s GLN 63 Cb 0.09 0.25 -0.09 0.00 1.00 0.00 0.00 33.01 34.26 1h2o s GLN 63 CO 0.39 -0.16 1.02 -0.47 -2.12 0.00 0.00 175.29 173.95 1h2o s TYR 64 N -1.94 3.53 -0.03 0.91 5.04 -1.26 -4.80 117.35 118.80 1h2o s TYR 64 Ca -0.10 1.72 0.02 0.00 -2.44 0.00 0.00 57.07 56.27 1h2o s TYR 64 Cb -0.04 -3.10 0.01 0.00 0.35 0.00 0.00 41.96 39.18 1h2o s TYR 64 CO -0.01 -0.27 -0.07 0.20 -1.34 0.00 0.00 175.55 174.06 1h2o s GLY 65 N -1.37 0.46 -0.22 8.97 0.00 -1.26 -5.03 107.32 108.87 1h2o s GLY 65 Ca 0.51 -0.21 -0.36 0.00 0.00 0.00 0.00 44.72 44.65 1h2o s GLY 65 CO 0.30 0.09 1.37 -2.52 0.00 0.00 0.00 173.10 172.34 1h2o s TYR 66 N 0.40 -0.03 0.26 1.90 -0.85 -1.26 0.27 117.35 118.04 1h2o s TYR 66 Ca -0.06 0.01 -0.01 0.00 -0.52 0.00 0.00 57.07 56.50 1h2o s TYR 66 Cb -0.10 0.51 -0.03 0.00 0.38 0.00 0.00 41.96 42.72 1h2o s TYR 66 CO 0.00 -0.06 0.26 0.14 -1.52 0.00 0.00 175.55 174.38 1h2o s VAL 67 N -2.11 0.00 -0.12 -3.49 -7.23 0.28 -4.34 120.40 103.38 1h2o s VAL 67 Ca 0.12 -1.87 0.01 0.00 -1.81 0.00 0.00 61.98 58.44 1h2o s VAL 67 Cb 0.01 -2.48 0.02 0.00 0.56 0.00 0.00 36.38 34.49 1h2o s VAL 67 CO -0.04 0.00 -0.15 -0.54 -0.31 0.00 0.00 175.10 174.06 1h2o s LYS 68 N -3.80 2.25 -0.19 4.82 1.02 -1.25 -0.59 119.74 121.99 1h2o s LYS 68 Ca 0.36 -0.56 -0.03 0.00 0.02 0.00 0.00 55.97 55.76 1h2o s LYS 68 Cb 0.04 -1.94 -0.01 0.00 -0.52 0.00 0.00 37.83 35.40 1h2o s LYS 68 CO 0.17 -0.09 -0.08 -1.01 -0.92 0.00 0.00 175.35 173.42 1h2o s HIS 69 N 1.08 2.91 -0.40 3.18 3.76 0.17 -2.18 115.29 123.81 1h2o s HIS 69 Ca -0.04 -0.90 -0.13 0.00 -0.15 0.00 0.00 55.06 53.84 1h2o s HIS 69 Cb -0.14 -2.02 0.03 0.00 1.11 0.00 0.00 32.58 31.55 1h2o s HIS 69 CO -0.03 -0.46 0.26 0.21 -0.85 0.00 0.00 174.74 173.87 1h2o s LYS 70 N 1.14 2.90 0.22 1.40 2.20 0.43 0.15 119.74 128.17 1h2o s LYS 70 Ca 0.01 -1.07 -0.31 0.00 -0.36 0.00 0.00 55.97 54.24 1h2o s LYS 70 Cb -0.14 -3.88 -0.15 0.00 -1.51 0.00 0.00 37.83 32.14 1h2o s LYS 70 CO -0.02 -0.75 1.08 -0.89 -0.36 0.00 0.00 175.35 174.42 1h2o n ILE 71 N 5.09 1.33 -0.04 5.43 2.08 0.49 0.16 119.36 133.90 1h2o n ILE 71 Ca -0.11 -0.33 -0.06 0.00 0.56 0.00 0.00 62.75 62.80 1h2o n ILE 71 Cb 0.46 -0.87 -0.03 0.00 -0.75 0.00 0.00 39.64 38.45 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 1.74 2.56 -3.49 4.38 2.03 0.52 -0.39 116.55 123.91 1h2o n ASP 72 Ca 0.13 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.34 1h2o n ASP 72 Cb 0.27 -0.15 -0.02 0.00 -0.72 0.00 0.00 41.12 40.50 1h2o n ASP 72 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1h2o s SER 73 N -5.01 -0.42 0.05 1.67 0.01 0.41 -4.69 113.70 105.71 1h2o s SER 73 Ca -0.10 0.07 -0.08 0.00 1.31 0.00 0.00 55.95 57.15 1h2o s SER 73 Cb 0.03 0.43 -0.00 0.00 0.21 0.00 0.00 66.02 66.69 1h2o s SER 73 CO 0.16 -0.67 0.16 -0.63 0.41 0.00 0.00 173.24 172.67 1h2o s ILE 74 N -3.00 0.13 -0.47 1.44 1.01 -1.26 0.24 121.20 119.28 1h2o s ILE 74 Ca 0.03 -1.03 0.04 0.00 0.00 0.00 0.00 60.65 59.69 1h2o s ILE 74 Cb -0.01 -1.01 0.18 0.00 0.01 0.00 0.00 42.46 41.62 1h2o s ILE 74 CO -0.08 -0.57 0.39 0.47 0.00 0.00 0.00 174.94 175.15 1h2o n ASP 75 N 0.54 0.34 0.11 3.58 9.92 0.18 -4.92 116.55 126.30 1h2o n ASP 75 Ca -0.18 -2.58 0.08 0.00 -0.53 0.00 0.00 54.79 51.58 1h2o n ASP 75 Cb 0.60 -0.60 0.41 0.00 -0.64 0.00 0.00 41.12 40.89 1h2o n ASP 75 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1h2o n LYS 76 N 2.53 0.10 -0.06 -1.24 4.81 -1.26 0.25 118.16 123.30 1h2o n LYS 76 Ca 0.27 0.56 -0.10 0.00 -0.87 0.00 0.00 58.31 58.17 1h2o n LYS 76 Cb 0.46 -1.81 -0.15 0.00 0.02 0.00 0.00 35.03 33.55 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 -2.02 0.66 0.00 1.64 1.02 -1.26 -4.28 120.64 116.40 1h2o n GLU 77 Ca -0.00 0.17 0.07 0.00 -0.02 0.00 0.00 57.16 57.37 1h2o n GLU 77 Cb 0.06 -1.67 0.01 0.00 -0.02 0.00 0.00 31.44 29.82 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 -2.97 1.61 -2.86 1.62 3.02 -0.57 -5.00 115.26 110.11 1h2o n ASN 78 Ca -0.26 -1.31 -0.13 0.00 -0.03 0.00 0.00 54.58 52.86 1h2o n ASN 78 Cb 1.09 0.34 0.07 0.00 -0.61 0.00 0.00 39.78 40.67 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 0.07 -1.69 -4.38 3.10 4.01 0.70 -4.11 117.16 114.87 1h2o n TYR 79 Ca 0.06 0.72 -0.27 0.00 -0.16 0.00 0.00 57.90 58.25 1h2o n TYR 79 Cb 0.29 -4.34 -0.11 0.00 -0.31 0.00 0.00 39.34 34.87 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 -4.01 3.63 -0.03 7.72 0.01 -0.94 -0.50 113.70 119.58 1h2o s SER 80 Ca 0.01 -0.77 -0.01 0.00 1.31 0.00 0.00 55.95 56.49 1h2o s SER 80 Cb -0.00 -0.37 0.03 0.00 0.21 0.00 0.00 66.02 65.88 1h2o s SER 80 CO 0.56 0.13 0.07 -0.47 0.41 0.00 0.00 173.24 173.94 1h2o s TYR 81 N -1.57 -0.05 -0.06 2.43 5.04 0.37 -0.65 117.35 122.87 1h2o s TYR 81 Ca 0.21 0.24 -0.02 0.00 -2.44 0.00 0.00 57.07 55.06 1h2o s TYR 81 Cb -0.09 -0.13 0.03 0.00 0.35 0.00 0.00 41.96 42.12 1h2o s TYR 81 CO 0.11 -0.10 0.03 -1.12 -1.34 0.00 0.00 175.55 173.13 1h2o s SER 82 N 0.85 1.37 0.25 4.32 0.01 0.14 0.20 113.70 120.85 1h2o s SER 82 Ca -0.07 -0.01 0.01 0.00 1.31 0.00 0.00 55.95 57.20 1h2o s SER 82 Cb -0.09 -0.30 -0.05 0.00 0.21 0.00 0.00 66.02 65.79 1h2o s SER 82 CO -0.03 -0.22 0.12 -0.72 0.41 0.00 0.00 173.24 172.80 1h2o s TYR 83 N 2.06 1.47 -0.08 2.43 1.13 0.30 0.20 117.35 124.85 1h2o s TYR 83 Ca 0.05 -1.26 0.05 0.00 -1.41 0.00 0.00 57.07 54.49 1h2o s TYR 83 Cb -0.12 -0.81 -0.00 0.00 -1.10 0.00 0.00 41.96 39.92 1h2o s TYR 83 CO -0.04 -0.44 -0.23 0.99 -2.51 0.00 0.00 175.55 173.32 1h2o s THR 84 N -3.82 1.92 -0.22 -3.49 2.01 0.41 0.28 115.64 112.74 1h2o s THR 84 Ca 0.38 -0.96 -0.12 0.00 0.31 0.00 0.00 61.69 61.30 1h2o s THR 84 Cb 0.07 -1.65 -0.05 0.00 0.01 0.00 0.00 72.50 70.88 1h2o s THR 84 CO 0.14 0.53 0.22 -0.22 -0.69 0.00 0.00 174.62 174.60 1h2o s LEU 85 N 0.17 4.14 -0.00 4.42 2.96 0.39 0.16 118.68 130.93 1h2o s LEU 85 Ca -0.12 0.24 0.16 0.00 -0.22 0.00 0.00 54.13 54.18 1h2o s LEU 85 Cb -0.16 -2.21 -0.18 0.00 0.50 0.00 0.00 46.19 44.14 1h2o s LEU 85 CO 0.06 0.05 0.63 2.30 -1.32 0.00 0.00 176.35 178.07 1h2o n ILE 86 N 4.16 0.00 -4.24 6.68 -5.35 -0.93 -1.14 119.36 118.54 1h2o n ILE 86 Ca -0.13 -0.16 -0.13 0.00 -0.27 0.00 0.00 62.75 62.05 1h2o n ILE 86 Cb 0.52 0.89 -0.10 0.00 -1.74 0.00 0.00 39.64 39.21 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 -2.57 1.10 0.00 6.28 2.12 -1.25 -4.91 118.70 119.47 1h2o s GLU 87 Ca 0.05 -1.53 0.00 0.00 0.36 0.00 0.00 54.97 53.85 1h2o s GLU 87 Cb 0.12 -0.26 0.00 0.00 0.26 0.00 0.00 34.13 34.25 1h2o s GLU 87 CO 0.65 -0.13 0.00 0.41 -0.54 0.00 0.00 175.26 175.65 1h2o n GLY 88 N -0.23 2.82 0.34 -1.50 0.00 -1.26 -3.90 105.19 101.46 1h2o n GLY 88 Ca -0.07 -0.03 0.17 0.00 0.00 0.00 0.00 46.02 46.09 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 0.59 1.61 3.32 -1.97 0.38 116.42 120.34 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 n ALA 90 N -1.95 1.92 1.27 3.45 0.00 -1.26 -2.41 120.51 121.54 1h2o n ALA 90 Ca -0.02 -0.07 0.14 0.00 0.00 0.00 0.00 53.44 53.49 1h2o n ALA 90 Cb 0.31 -1.31 0.66 0.00 0.00 0.00 0.00 19.45 19.11 1h2o n ALA 90 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1h2o n LEU 91 N -1.45 0.12 0.00 0.00 4.77 0.13 -4.96 117.00 115.62 1h2o n LEU 91 Ca 0.06 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 1h2o n LEU 91 Cb 0.21 -0.32 -0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1h2o n LEU 91 CO 0.17 0.02 -0.00 0.61 -1.33 0.00 0.00 177.39 176.86 1h2o n GLY 92 N 1.36 -0.27 1.33 -0.72 0.00 -1.01 -1.05 105.19 104.83 1h2o n GLY 92 Ca 0.12 -0.28 -0.03 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.75 3.28 -0.01 1.61 8.00 -1.26 -4.03 116.55 120.39 1h2o n ASP 93 Ca 0.00 -2.57 -0.02 0.00 0.71 0.00 0.00 54.79 52.91 1h2o n ASP 93 Cb 0.01 -0.62 -0.01 0.00 -0.02 0.00 0.00 41.12 40.48 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 0.06 0.14 -1.87 -3.53 -2.24 -1.16 -4.93 114.28 100.74 1h2o n THR 94 Ca 0.19 -0.04 -0.30 0.00 -2.27 0.00 0.00 64.05 61.62 1h2o n THR 94 Cb 0.85 -1.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.11 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 -5.57 3.03 0.00 3.22 2.01 -0.22 -0.45 118.68 120.70 1h2o s LEU 95 Ca -0.03 1.25 0.00 0.00 0.01 0.00 0.00 54.13 55.36 1h2o s LEU 95 Cb 0.01 -4.15 0.00 0.00 0.01 0.00 0.00 46.19 42.06 1h2o s LEU 95 CO 0.05 -1.16 0.00 -0.62 1.01 0.00 0.00 176.35 175.63 1h2o n GLU 96 N -2.91 0.00 -2.71 1.70 1.02 0.38 -4.70 120.64 113.42 1h2o n GLU 96 Ca 0.07 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.78 1h2o n GLU 96 Cb 0.56 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.95 1h2o n GLU 96 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1h2o s LYS 97 N 0.00 4.47 -0.05 3.49 1.02 -1.17 -4.68 119.74 122.82 1h2o s LYS 97 Ca 0.00 1.38 0.05 0.00 0.02 0.00 0.00 55.97 57.43 1h2o s LYS 97 Cb 0.00 -3.51 -0.02 0.00 -0.52 0.00 0.00 37.83 33.78 1h2o s LYS 97 CO 0.00 -0.20 -0.21 0.42 -0.92 0.00 0.00 175.35 174.44 1h2o s ILE 98 N 1.59 2.45 -0.12 2.17 -1.09 -0.29 -1.66 121.20 124.26 1h2o s ILE 98 Ca 0.49 -0.94 0.00 0.00 -2.23 0.00 0.00 60.65 57.98 1h2o s ILE 98 Cb -0.19 -1.92 -0.02 0.00 -1.58 0.00 0.00 42.46 38.75 1h2o s ILE 98 CO 0.22 0.58 -0.14 -0.44 -1.23 0.00 0.00 174.94 173.93 1h2o s SER 99 N -0.41 3.97 -0.05 3.58 0.01 -0.12 -0.46 113.70 120.23 1h2o s SER 99 Ca 0.04 -0.32 0.04 0.00 1.31 0.00 0.00 55.95 57.02 1h2o s SER 99 Cb -0.12 -1.52 -0.00 0.00 0.21 0.00 0.00 66.02 64.58 1h2o s SER 99 CO 0.02 0.18 -0.18 -0.31 0.41 0.00 0.00 173.24 173.36 1h2o s TYR 100 N 0.24 1.79 -0.02 2.43 2.02 0.14 0.12 117.35 124.07 1h2o s TYR 100 Ca -0.09 -0.53 0.00 0.00 -0.37 0.00 0.00 57.07 56.08 1h2o s TYR 100 Cb -0.15 -1.21 0.02 0.00 -0.40 0.00 0.00 41.96 40.22 1h2o s TYR 100 CO 0.05 -0.19 0.01 -2.00 -1.57 0.00 0.00 175.55 171.86 1h2o s GLU 101 N 0.07 0.12 0.01 -0.62 2.12 0.74 -0.54 118.70 120.60 1h2o s GLU 101 Ca -0.05 0.11 0.03 0.00 0.36 0.00 0.00 54.97 55.42 1h2o s GLU 101 Cb -0.12 -0.32 -0.01 0.00 0.26 0.00 0.00 34.13 33.94 1h2o s GLU 101 CO 0.03 -0.13 -0.10 0.99 -0.54 0.00 0.00 175.26 175.52 1h2o s THR 102 N 0.88 0.75 0.01 -1.70 2.01 0.54 0.26 115.64 118.39 1h2o s THR 102 Ca -0.08 -0.56 0.03 0.00 0.31 0.00 0.00 61.69 61.39 1h2o s THR 102 Cb -0.11 -0.66 -0.01 0.00 0.01 0.00 0.00 72.50 71.73 1h2o s THR 102 CO -0.02 0.10 -0.08 -0.75 -0.69 0.00 0.00 174.62 173.18 1h2o s LYS 103 N -0.52 0.60 0.14 4.92 2.20 0.13 0.14 119.74 127.35 1h2o s LYS 103 Ca 0.02 -0.44 0.11 0.00 -0.36 0.00 0.00 55.97 55.29 1h2o s LYS 103 Cb -0.05 -0.54 -0.04 0.00 -1.51 0.00 0.00 37.83 35.70 1h2o s LYS 103 CO 0.00 0.14 -0.24 -0.51 -0.36 0.00 0.00 175.35 174.38 1h2o s LEU 104 N -0.64 2.44 0.00 5.43 1.43 0.35 0.78 118.68 128.47 1h2o s LEU 104 Ca -0.01 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 52.38 1h2o s LEU 104 Cb -0.05 -1.30 0.00 0.00 0.03 0.00 0.00 46.19 44.87 1h2o s LEU 104 CO 0.00 0.17 0.00 0.52 0.23 0.00 0.00 176.35 177.27 1h2o n VAL 105 N 0.77 0.00 -4.40 -1.59 0.31 0.45 -4.62 118.33 109.25 1h2o n VAL 105 Ca -0.17 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 63.96 1h2o n VAL 105 Cb 0.53 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.36 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 -1.67 2.32 0.41 3.52 0.00 -1.26 -1.30 121.76 123.78 1h2o s ALA 106 Ca 0.00 -1.78 0.07 0.00 0.00 0.00 0.00 51.96 50.25 1h2o s ALA 106 Cb 0.00 -0.10 -0.08 0.00 0.00 0.00 0.00 23.12 22.95 1h2o s ALA 106 CO 0.00 0.11 0.03 -1.54 0.00 0.00 0.00 175.76 174.36 1h2o s SER 107 N -3.41 3.94 0.38 0.00 1.04 -0.21 -4.45 113.70 110.99 1h2o s SER 107 Ca 0.26 -1.35 0.28 0.00 0.48 0.00 0.00 55.95 55.62 1h2o s SER 107 Cb -0.01 -0.39 1.04 0.00 0.10 0.00 0.00 66.02 66.76 1h2o s SER 107 CO 0.10 -0.47 1.81 1.55 0.98 0.00 0.00 173.24 177.22 1h2o h PRO 108 N 1.73 0.00 -0.02 4.02 0.13 -2.02 -2.66 132.00 133.19 1h2o h PRO 108 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1h2o h PRO 108 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1h2o h PRO 108 CO 0.80 0.00 -0.07 -1.13 -0.23 0.00 0.00 178.00 177.37 1h2o n SER 109 N -2.63 1.85 0.00 1.44 3.41 -1.26 -4.93 113.62 111.49 1h2o n SER 109 Ca 0.02 -1.54 0.00 0.00 -0.26 0.00 0.00 58.87 57.09 1h2o n SER 109 Cb 0.31 0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 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 1.26 2.86 1.70 5.00 0.00 -1.00 -5.06 105.19 109.95 1h2o n GLY 110 Ca 0.16 -0.66 -0.12 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.77 3.03 -0.02 0.00 -1.26 -4.49 105.19 99.68 1h2o n GLY 111 Ca 0.00 -0.90 -0.21 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.15 1.32 0.17 1.61 1.04 0.50 -1.04 113.70 115.15 1h2o s SER 112 Ca 0.27 -0.21 -0.13 0.00 0.48 0.00 0.00 55.95 56.37 1h2o s SER 112 Cb -0.05 -0.27 -0.07 0.00 0.10 0.00 0.00 66.02 65.73 1h2o s SER 112 CO 0.22 0.10 0.54 -0.63 0.98 0.00 0.00 173.24 174.46 1h2o s ILE 113 N -0.00 4.89 -0.08 -1.02 1.01 -0.42 0.13 121.20 125.71 1h2o s ILE 113 Ca -0.00 0.70 0.02 0.00 0.00 0.00 0.00 60.65 61.36 1h2o s ILE 113 Cb -0.07 -3.69 0.02 0.00 0.01 0.00 0.00 42.46 38.72 1h2o s ILE 113 CO 0.00 0.14 -0.12 -0.63 0.00 0.00 0.00 174.94 174.34 1h2o s ILE 114 N -1.58 1.17 -0.27 2.92 1.01 0.40 0.17 121.20 125.03 1h2o s ILE 114 Ca 0.41 -0.47 0.03 0.00 0.00 0.00 0.00 60.65 60.62 1h2o s ILE 114 Cb -0.14 -1.09 0.06 0.00 0.01 0.00 0.00 42.46 41.30 1h2o s ILE 114 CO 0.20 0.37 -0.09 -0.75 0.00 0.00 0.00 174.94 174.67 1h2o s LYS 115 N 0.94 2.16 0.31 2.79 2.20 0.23 -0.70 119.74 127.66 1h2o s LYS 115 Ca -0.09 -1.41 0.00 0.00 -0.36 0.00 0.00 55.97 54.11 1h2o s LYS 115 Cb -0.15 -2.94 -0.04 0.00 -1.51 0.00 0.00 37.83 33.19 1h2o s LYS 115 CO 0.00 -0.62 0.50 -1.12 -0.36 0.00 0.00 175.35 173.76 1h2o s SER 116 N 1.09 6.32 -0.30 1.43 0.01 0.43 0.18 113.70 122.86 1h2o s SER 116 Ca -0.06 0.42 -0.12 0.00 1.31 0.00 0.00 55.95 57.50 1h2o s SER 116 Cb -0.20 -2.02 0.12 0.00 0.21 0.00 0.00 66.02 64.13 1h2o s SER 116 CO -0.05 -0.22 0.66 -0.89 0.41 0.00 0.00 173.24 173.15 1h2o s THR 117 N -2.19 -0.75 0.36 1.44 2.01 0.71 -1.11 115.64 116.11 1h2o s THR 117 Ca 0.39 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.44 1h2o s THR 117 Cb -0.10 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.35 1h2o s THR 117 CO 0.34 0.00 0.05 -0.94 -0.69 0.00 0.00 174.62 173.38 1h2o s SER 118 N 2.59 2.81 -0.07 3.53 1.04 0.40 0.26 113.70 124.27 1h2o s SER 118 Ca -0.07 -1.42 -0.07 0.00 0.48 0.00 0.00 55.95 54.88 1h2o s SER 118 Cb -0.10 -0.06 0.02 0.00 0.10 0.00 0.00 66.02 65.97 1h2o s SER 118 CO -0.19 -0.62 0.19 -1.00 0.98 0.00 0.00 173.24 172.60 1h2o s HIS 119 N -3.15 -0.21 0.02 5.02 3.76 0.33 -1.63 115.29 119.44 1h2o s HIS 119 Ca 0.33 0.51 0.01 0.00 -0.15 0.00 0.00 55.06 55.76 1h2o s HIS 119 Cb 0.08 0.07 -0.04 0.00 1.11 0.00 0.00 32.58 33.80 1h2o s HIS 119 CO 0.15 -0.10 0.05 0.71 -0.85 0.00 0.00 174.74 174.71 1h2o s TYR 120 N 0.09 3.19 -0.35 1.40 1.51 -0.66 -0.95 117.35 121.59 1h2o s TYR 120 Ca -0.00 0.13 0.00 0.00 -1.01 0.00 0.00 57.07 56.19 1h2o s TYR 120 Cb -0.01 -1.68 0.11 0.00 -0.11 0.00 0.00 41.96 40.27 1h2o s TYR 120 CO 0.00 0.52 0.14 -1.01 -1.11 0.00 0.00 175.55 174.09 1h2o s HIS 121 N -1.22 1.75 0.49 2.71 3.76 -0.66 -2.28 115.29 119.83 1h2o s HIS 121 Ca 0.24 -1.94 -0.18 0.00 -0.15 0.00 0.00 55.06 53.03 1h2o s HIS 121 Cb -0.12 -1.73 -0.09 0.00 1.11 0.00 0.00 32.58 31.76 1h2o s HIS 121 CO 0.15 -0.85 0.98 0.95 -0.85 0.00 0.00 174.74 175.12 1h2o s THR 122 N 1.22 4.50 -0.13 1.30 -4.23 -1.22 -0.47 115.64 116.61 1h2o s THR 122 Ca 0.13 1.28 -0.13 0.00 -1.18 0.00 0.00 61.69 61.78 1h2o s THR 122 Cb -0.20 -3.69 -0.05 0.00 1.34 0.00 0.00 72.50 69.90 1h2o s THR 122 CO -0.16 -0.60 0.28 -0.75 -0.54 0.00 0.00 174.62 172.85 1h2o s LYS 123 N -3.87 4.09 2.26 3.99 2.20 0.40 -4.84 119.74 123.98 1h2o s LYS 123 Ca 0.60 0.09 0.00 0.00 -0.36 0.00 0.00 55.97 56.30 1h2o s LYS 123 Cb -0.10 -3.36 0.00 0.00 -1.51 0.00 0.00 37.83 32.86 1h2o s LYS 123 CO 0.27 0.38 0.00 0.41 -0.36 0.00 0.00 175.35 176.05 1h2o n GLY 124 N 2.98 0.18 2.65 5.54 0.00 -1.26 -4.47 105.19 110.81 1h2o n GLY 124 Ca -0.13 -1.28 -0.29 0.00 0.00 0.00 0.00 46.02 44.33 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 1.63 3.66 -4.33 1.61 5.15 -1.26 -5.06 115.26 116.67 1h2o n ASN 125 Ca 0.00 -3.35 -0.17 0.00 -0.60 0.00 0.00 54.58 50.46 1h2o n ASN 125 Cb 0.00 -0.75 -0.10 0.00 -0.53 0.00 0.00 39.78 38.40 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 -2.10 0.90 0.11 3.44 -7.23 -1.26 -5.16 120.40 109.10 1h2o s VAL 126 Ca 0.34 -2.01 0.06 0.00 -1.81 0.00 0.00 61.98 58.56 1h2o s VAL 126 Cb 0.07 -2.46 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 1h2o s VAL 126 CO -0.07 -0.21 -0.16 -1.61 -0.31 0.00 0.00 175.10 172.74 1h2o s GLU 127 N -3.91 1.03 0.92 4.82 2.02 -1.26 -4.88 118.70 117.44 1h2o s GLU 127 Ca 0.31 -1.18 -0.14 0.00 0.02 0.00 0.00 54.97 53.98 1h2o s GLU 127 Cb 0.07 -1.02 0.15 0.00 0.10 0.00 0.00 34.13 33.43 1h2o s GLU 127 CO 0.10 0.21 1.20 0.42 0.02 0.00 0.00 175.26 177.22 1h2o s ILE 128 N -1.77 1.96 -0.07 -1.63 1.01 -1.26 -5.06 121.20 114.38 1h2o s ILE 128 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 60.65 60.69 1h2o s ILE 128 Cb -0.07 -2.87 -0.04 0.00 0.01 0.00 0.00 42.46 39.49 1h2o s ILE 128 CO 0.03 0.00 0.05 -0.54 0.00 0.00 0.00 174.94 174.49 1h2o s LYS 129 N -5.56 3.09 0.25 2.79 1.02 -1.26 -5.00 119.74 115.07 1h2o s LYS 129 Ca 0.67 -0.38 -0.04 0.00 0.02 0.00 0.00 55.97 56.24 1h2o s LYS 129 Cb -0.10 -2.89 0.42 0.00 -0.52 0.00 0.00 37.83 34.73 1h2o s LYS 129 CO 0.52 0.70 1.80 0.93 -0.92 0.00 0.00 175.35 178.38 1h2o h GLU 130 N 4.80 0.71 -0.90 1.68 5.08 -1.99 0.10 114.58 124.06 1h2o h GLU 130 Ca -0.51 -0.04 0.10 0.00 -1.00 0.00 0.00 59.36 57.90 1h2o h GLU 130 Cb 1.20 -0.16 -0.07 0.00 0.50 0.00 0.00 28.75 30.22 1h2o h GLU 130 CO 0.57 0.47 0.58 1.49 -1.00 0.00 0.00 179.01 181.13 1h2o h GLU 131 N 0.73 0.88 0.21 2.33 4.81 -1.97 0.42 114.58 121.99 1h2o h GLU 131 Ca 0.40 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.57 1h2o h GLU 131 Cb 0.42 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1h2o h GLU 131 CO -0.27 0.58 -0.10 1.25 -0.73 0.00 0.00 179.01 179.74 1h2o h HIS 132 N 0.90 -0.26 -0.84 0.92 2.76 -1.41 0.11 115.15 117.33 1h2o h HIS 132 Ca 0.42 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.59 1h2o h HIS 132 Cb 0.41 0.09 -0.04 0.00 1.55 0.00 0.00 27.41 29.41 1h2o h HIS 132 CO -0.00 0.13 0.55 0.28 -1.30 0.00 0.00 177.93 177.59 1h2o h VAL 133 N -0.75 1.22 -0.26 5.26 2.07 -0.97 -0.67 116.25 122.15 1h2o h VAL 133 Ca -0.03 -0.41 -0.17 0.00 0.82 0.00 0.00 66.70 66.91 1h2o h VAL 133 Cb 0.50 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1h2o h VAL 133 CO 0.05 0.21 -0.53 0.11 0.02 0.00 0.00 177.57 177.43 1h2o h LYS 134 N 1.14 0.75 0.00 1.57 1.57 -0.15 -2.80 116.57 118.65 1h2o h LYS 134 Ca 0.31 -0.46 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 1h2o h LYS 134 Cb -0.12 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 1h2o h LYS 134 CO -0.07 1.09 -0.05 0.00 -0.57 0.00 0.00 179.45 179.86 1h2o h ALA 135 N 0.82 1.01 0.00 3.86 0.00 -0.17 -2.62 119.26 122.17 1h2o h ALA 135 Ca 0.02 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1h2o h ALA 135 Cb 1.11 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1h2o h ALA 135 CO 0.11 0.06 -0.67 0.78 0.00 0.00 0.00 179.25 179.53 1h2o h GLY 136 N 2.15 0.00 1.87 0.00 0.00 -0.90 -3.07 103.07 103.11 1h2o h GLY 136 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.13 1h2o h GLY 136 CO 0.01 0.00 -0.92 0.50 0.00 0.00 0.00 176.54 176.13 1h2o h LYS 137 N 0.00 0.11 -0.01 4.80 1.57 -1.22 -2.85 116.57 118.98 1h2o h LYS 137 Ca -0.02 -0.14 -0.18 0.00 -1.87 0.00 0.00 60.65 58.44 1h2o h LYS 137 Cb 1.45 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.79 1h2o h LYS 137 CO 0.07 0.95 -0.81 1.49 -0.57 0.00 0.00 179.45 180.58 1h2o h GLU 138 N 0.05 0.13 -0.03 3.15 4.81 -1.57 -2.50 114.58 118.62 1h2o h GLU 138 Ca -0.04 -0.13 -0.16 0.00 -0.13 0.00 0.00 59.36 58.90 1h2o h GLU 138 Cb 1.58 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.98 1h2o h GLU 138 CO 0.13 0.86 -0.72 0.87 -0.73 0.00 0.00 179.01 179.43 1h2o h LYS 139 N 0.08 0.15 0.01 1.92 1.57 -1.55 -2.68 116.57 116.07 1h2o h LYS 139 Ca -0.03 -0.13 -0.23 0.00 -1.87 0.00 0.00 60.65 58.40 1h2o h LYS 139 Cb 1.41 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.75 1h2o h LYS 139 CO 0.12 0.81 -0.95 0.00 -0.57 0.00 0.00 179.45 178.85 1h2o h ALA 140 N 1.15 0.36 -0.17 3.86 0.00 -1.47 -2.92 119.26 120.07 1h2o h ALA 140 Ca -0.02 -0.72 -0.04 0.00 0.00 0.00 0.00 54.91 54.13 1h2o h ALA 140 Cb 1.27 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1h2o h ALA 140 CO 0.11 0.83 -0.05 0.66 0.00 0.00 0.00 179.25 180.80 1h2o h SER 141 N 0.21 0.34 -0.43 0.00 4.64 -1.43 -2.14 113.55 114.74 1h2o h SER 141 Ca -0.08 -0.37 0.02 0.00 -0.47 0.00 0.00 61.79 60.89 1h2o h SER 141 Cb 1.59 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 63.56 1h2o h SER 141 CO 0.16 0.64 0.24 0.78 -0.87 0.00 0.00 176.83 177.78 1h2o h ASN 142 N 0.04 0.39 -0.61 4.97 2.35 -1.55 -1.75 115.58 119.43 1h2o h ASN 142 Ca 0.04 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1h2o h ASN 142 Cb 0.49 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.75 1h2o h ASN 142 CO 0.02 0.28 0.37 -0.07 -1.65 0.00 0.00 177.43 176.38 1h2o h LEU 143 N 0.49 0.73 -0.79 1.61 3.38 -1.47 -1.96 115.31 117.31 1h2o h LEU 143 Ca 0.17 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 1h2o h LEU 143 Cb 0.03 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1h2o h LEU 143 CO -0.09 0.56 0.31 -0.26 0.09 0.00 0.00 178.44 179.05 1h2o h PHE 144 N 0.85 1.21 0.00 1.13 0.04 -0.65 -1.29 116.94 118.23 1h2o h PHE 144 Ca 0.22 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.90 1h2o h PHE 144 Cb -0.03 -0.36 0.00 0.00 2.20 0.00 0.00 35.95 37.75 1h2o h PHE 144 CO 0.00 0.92 0.00 1.17 -0.60 0.00 0.00 178.31 179.81 1h2o n LYS 145 N -4.28 0.03 0.08 1.51 4.81 -0.78 -2.56 118.16 116.98 1h2o n LYS 145 Ca 0.07 0.16 -0.23 0.00 -0.87 0.00 0.00 58.31 57.44 1h2o n LYS 145 Cb 0.19 -1.50 -0.15 0.00 0.02 0.00 0.00 35.03 33.59 1h2o n LYS 145 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1h2o h LEU 146 N 0.00 0.63 -0.22 3.14 3.38 -0.80 -2.73 115.31 118.71 1h2o h LEU 146 Ca 0.00 -0.90 -0.07 0.00 0.09 0.00 0.00 57.88 57.00 1h2o h LEU 146 Cb 0.32 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1h2o h LEU 146 CO 0.00 1.76 -0.13 0.40 0.09 0.00 0.00 178.44 180.56 1h2o h ILE 147 N 0.11 1.31 -0.51 1.22 2.04 -1.35 0.78 117.51 121.11 1h2o h ILE 147 Ca -0.33 -1.21 0.03 0.00 1.00 0.00 0.00 64.86 64.34 1h2o h ILE 147 Cb 2.11 1.62 -0.03 0.00 -0.74 0.00 0.00 36.82 39.77 1h2o h ILE 147 CO 0.19 0.37 0.30 -0.33 0.00 0.00 0.00 178.15 178.68 1h2o h GLU 148 N 0.19 0.58 -0.10 2.37 5.08 -1.62 -1.43 114.58 119.64 1h2o h GLU 148 Ca 0.05 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 1h2o h GLU 148 Cb 0.63 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1h2o h GLU 148 CO 0.04 0.38 -0.37 1.15 -1.00 0.00 0.00 179.01 179.21 1h2o h THR 149 N 0.59 1.29 -0.32 1.13 2.02 -1.37 -1.79 112.91 114.47 1h2o h THR 149 Ca 0.21 -1.41 0.04 0.00 0.77 0.00 0.00 66.41 66.01 1h2o h THR 149 Cb 0.03 1.63 -0.03 0.00 -1.74 0.00 0.00 68.15 68.04 1h2o h THR 149 CO -0.10 0.42 0.11 0.22 0.37 0.00 0.00 175.52 176.54 1h2o h TYR 150 N 0.18 0.19 -0.07 3.16 3.20 0.23 -1.79 116.97 122.08 1h2o h TYR 150 Ca 0.02 0.02 -0.22 0.00 3.14 0.00 0.00 58.73 61.68 1h2o h TYR 150 Cb 0.75 -0.04 0.01 0.00 1.54 0.00 0.00 36.73 38.98 1h2o h TYR 150 CO 0.01 0.08 -0.86 -0.07 -1.64 0.00 0.00 178.16 175.68 1h2o h LEU 151 N 0.24 0.73 -0.97 2.82 3.38 -1.29 1.09 115.31 121.32 1h2o h LEU 151 Ca 0.14 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1h2o h LEU 151 Cb 0.11 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1h2o h LEU 151 CO -0.15 1.31 0.00 1.17 0.09 0.00 0.00 178.44 180.86 1h2o n LYS 152 N -3.85 0.12 -0.00 1.13 4.81 -0.69 -2.37 118.16 117.31 1h2o n LYS 152 Ca -0.07 0.56 -0.00 0.00 -0.87 0.00 0.00 58.31 57.92 1h2o n LYS 152 Cb 0.79 -1.84 -0.00 0.00 0.02 0.00 0.00 35.03 34.00 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 -1.05 -0.00 3.22 3.14 0.00 -0.70 -4.90 105.19 104.89 1h2o n GLY 153 Ca -0.00 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.00 3.52 -2.00 1.61 3.76 0.38 -4.89 115.29 115.66 1h2o s HIS 154 Ca -0.00 -2.14 0.10 0.00 -0.15 0.00 0.00 55.06 52.88 1h2o s HIS 154 Cb 0.00 -3.53 0.62 0.00 1.11 0.00 0.00 32.58 30.79 1h2o s HIS 154 CO 0.00 -0.95 1.15 -0.35 -0.85 0.00 0.00 174.74 173.74 1h2o n PRO 155 N 4.19 0.66 0.00 8.40 -0.04 -1.26 -2.49 135.00 144.47 1h2o n PRO 155 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1h2o n PRO 155 Cb 0.42 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 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 -0.75 0.47 -4.41 3.54 5.68 -1.26 -4.82 116.55 115.00 1h2o n ASP 156 Ca 0.08 -0.74 -0.54 0.00 -0.50 0.00 0.00 54.79 53.09 1h2o n ASP 156 Cb 0.04 0.43 -0.08 0.00 -1.14 0.00 0.00 41.12 40.36 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 -0.43 0.75 -2.41 2.12 0.00 -1.04 -1.58 120.51 117.93 1h2o n ALA 157 Ca 0.00 0.05 -0.09 0.00 0.00 0.00 0.00 53.44 53.40 1h2o n ALA 157 Cb 0.01 -2.40 -0.02 0.00 0.00 0.00 0.00 19.45 17.05 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 8.85 -1.20 -0.82 0.00 0.18 -1.26 -5.01 117.16 117.89 1h2o n TYR 158 Ca 0.44 0.15 0.00 0.00 1.88 0.00 0.00 57.90 60.36 1h2o n TYR 158 Cb 0.15 -0.87 0.00 0.00 -0.38 0.00 0.00 39.34 38.24 1h2o n TYR 158 CO 0.00 0.00 0.00 -1.71 -2.08 0.00 0.00 176.86 173.07