#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 4.77 0.78 1.61 0.11 -1.26 -3.73 120.40 122.68 1h2o s VAL 2 Ca 0.00 0.84 -0.09 0.00 -2.93 0.00 0.00 61.98 59.80 1h2o s VAL 2 Cb 0.00 -3.68 0.10 0.00 -1.53 0.00 0.00 36.38 31.27 1h2o s VAL 2 CO 0.00 -0.01 1.10 -0.36 -3.33 0.00 0.00 175.10 172.51 1h2o s PHE 3 N -1.76 2.54 -0.04 1.54 0.08 0.40 -4.79 117.98 115.95 1h2o s PHE 3 Ca 0.47 0.41 -0.02 0.00 0.12 0.00 0.00 56.93 57.91 1h2o s PHE 3 Cb -0.12 -3.41 0.03 0.00 -0.57 0.00 0.00 43.02 38.95 1h2o s PHE 3 CO 0.19 -1.75 0.08 0.99 -0.10 0.00 0.00 175.22 174.64 1h2o s THR 4 N -3.42 -0.11 0.04 0.64 2.01 -1.26 -2.14 115.64 111.40 1h2o s THR 4 Ca 0.64 0.31 0.07 0.00 0.31 0.00 0.00 61.69 63.01 1h2o s THR 4 Cb -0.09 -0.16 -0.02 0.00 0.01 0.00 0.00 72.50 72.23 1h2o s THR 4 CO 0.47 0.13 -0.19 -0.31 -0.69 0.00 0.00 174.62 174.03 1h2o s TYR 5 N 1.68 1.66 0.02 4.92 2.02 0.32 -4.98 117.35 122.99 1h2o s TYR 5 Ca -0.02 -0.36 0.00 0.00 -0.37 0.00 0.00 57.07 56.32 1h2o s TYR 5 Cb -0.12 -0.99 -0.02 0.00 -0.40 0.00 0.00 41.96 40.42 1h2o s TYR 5 CO -0.04 0.07 -0.04 -1.83 -1.57 0.00 0.00 175.55 172.14 1h2o s GLU 6 N -1.10 0.33 0.02 -0.62 -1.05 -1.26 0.26 118.70 115.28 1h2o s GLU 6 Ca 0.06 -0.61 0.02 0.00 -0.15 0.00 0.00 54.97 54.29 1h2o s GLU 6 Cb -0.08 0.04 -0.01 0.00 -0.44 0.00 0.00 34.13 33.63 1h2o s GLU 6 CO 0.01 -0.03 -0.07 0.45 0.95 0.00 0.00 175.26 176.57 1h2o s SER 7 N -1.41 0.81 -0.11 0.83 0.15 0.64 -4.96 113.70 109.64 1h2o s SER 7 Ca -0.14 -0.31 -0.01 0.00 0.70 0.00 0.00 55.95 56.19 1h2o s SER 7 Cb -0.10 -0.03 0.03 0.00 -1.71 0.00 0.00 66.02 64.21 1h2o s SER 7 CO -0.01 -0.05 -0.06 -1.61 1.20 0.00 0.00 173.24 172.71 1h2o s GLU 8 N -0.80 1.39 0.28 5.44 2.02 -1.26 -0.99 118.70 124.78 1h2o s GLU 8 Ca -0.03 -0.23 0.02 0.00 0.02 0.00 0.00 54.97 54.75 1h2o s GLU 8 Cb -0.06 -1.55 -0.01 0.00 0.10 0.00 0.00 34.13 32.62 1h2o s GLU 8 CO 0.00 -0.29 0.32 1.97 0.02 0.00 0.00 175.26 177.28 1h2o n PHE 9 N 4.97 -0.98 -4.18 1.61 -1.74 -0.42 -4.99 117.46 111.73 1h2o n PHE 9 Ca -0.12 -2.09 -0.13 0.00 -0.56 0.00 0.00 57.45 54.55 1h2o n PHE 9 Cb 0.50 0.35 -0.09 0.00 1.52 0.00 0.00 39.48 41.76 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 0.00 0.05 1.97 -4.23 -1.26 0.13 115.64 109.39 1h2o s THR 10 Ca 0.28 -1.91 -0.17 0.00 -1.18 0.00 0.00 61.69 58.71 1h2o s THR 10 Cb 0.00 -2.47 0.03 0.00 1.34 0.00 0.00 72.50 71.40 1h2o s THR 10 CO 0.20 0.00 0.38 -0.55 -0.54 0.00 0.00 174.62 174.11 1h2o s SER 11 N -3.18 -0.24 0.24 3.99 0.15 0.28 -4.89 113.70 110.04 1h2o s SER 11 Ca 0.37 -0.06 0.12 0.00 0.70 0.00 0.00 55.95 57.08 1h2o s SER 11 Cb 0.05 0.41 0.15 0.00 -1.71 0.00 0.00 66.02 64.92 1h2o s SER 11 CO 0.15 -0.66 1.48 -0.33 1.20 0.00 0.00 173.24 175.07 1h2o h GLU 12 N 3.04 0.00 -7.09 5.44 5.08 -1.93 1.27 114.58 120.38 1h2o h GLU 12 Ca -0.31 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.55 1h2o h GLU 12 Cb 1.21 0.00 0.06 0.00 0.50 0.00 0.00 28.75 30.52 1h2o h GLU 12 CO 0.44 0.67 0.41 0.42 -1.00 0.00 0.00 179.01 179.96 1h2o s ILE 13 N -3.12 3.37 0.37 3.13 1.09 -1.26 -4.55 121.20 120.23 1h2o s ILE 13 Ca 0.01 0.83 -0.27 0.00 -1.10 0.00 0.00 60.65 60.12 1h2o s ILE 13 Cb 0.10 -3.33 -0.09 0.00 -1.06 0.00 0.00 42.46 38.08 1h2o s ILE 13 CO 0.76 -0.21 1.30 -2.16 -0.10 0.00 0.00 174.94 174.53 1h2o s PRO 14 N -3.36 4.15 0.24 2.79 0.04 -1.26 -4.17 135.00 133.44 1h2o s PRO 14 Ca 0.70 2.17 0.09 0.00 0.04 0.00 0.00 61.00 64.01 1h2o s PRO 14 Cb -0.21 -2.90 0.25 0.00 0.04 0.00 0.00 34.50 31.68 1h2o s PRO 14 CO 0.26 -0.35 1.55 -1.00 0.04 0.00 0.00 177.00 177.51 1h2o h PRO 15 N 3.00 0.02 0.00 0.56 0.13 -1.93 -2.69 132.00 131.09 1h2o h PRO 15 Ca -0.49 -0.01 -0.10 0.00 -0.87 0.00 0.00 66.00 64.52 1h2o h PRO 15 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1h2o h PRO 15 CO 0.64 0.69 -0.48 -1.00 -0.23 0.00 0.00 178.00 177.62 1h2o h PRO 16 N 0.01 0.00 0.18 1.56 0.13 -1.93 0.10 132.00 132.05 1h2o h PRO 16 Ca -0.01 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.88 1h2o h PRO 16 Cb 1.21 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.37 1h2o h PRO 16 CO 0.09 0.48 -1.05 0.00 -0.23 0.00 0.00 178.00 177.29 1h2o h ARG 17 N 0.00 0.39 -0.00 0.86 3.08 -1.89 -2.84 114.38 113.98 1h2o h ARG 17 Ca -0.00 -0.66 -0.07 0.00 0.07 0.00 0.00 59.98 59.31 1h2o h ARG 17 Cb 0.95 0.25 -0.01 0.00 0.08 0.00 0.00 29.97 31.23 1h2o h ARG 17 CO 0.06 1.32 -0.32 1.25 -1.07 0.00 0.00 179.97 181.21 1h2o h LEU 18 N -0.18 0.01 0.16 3.04 6.46 -1.41 -2.72 115.31 120.67 1h2o h LEU 18 Ca -0.18 -0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.57 1h2o h LEU 18 Cb 1.83 -0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.76 1h2o h LEU 18 CO 0.20 0.33 -0.08 0.15 -0.62 0.00 0.00 178.44 178.42 1h2o h PHE 19 N 0.01 -0.20 -1.01 1.25 3.57 -0.78 0.38 116.94 120.15 1h2o h PHE 19 Ca -0.00 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.59 1h2o h PHE 19 Cb 0.58 0.07 -0.08 0.00 2.79 0.00 0.00 35.95 39.31 1h2o h PHE 19 CO 0.00 0.03 0.64 0.87 -2.23 0.00 0.00 178.31 177.62 1h2o h LYS 20 N -0.41 1.06 0.00 1.11 1.57 -1.31 0.16 116.57 118.75 1h2o h LYS 20 Ca -0.02 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.57 1h2o h LYS 20 Cb 0.32 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1h2o h LYS 20 CO 0.04 0.70 -0.61 0.00 -0.57 0.00 0.00 179.45 179.01 1h2o h ALA 21 N 1.50 0.68 0.02 3.86 0.00 -1.25 0.16 119.26 124.23 1h2o h ALA 21 Ca 0.47 -0.55 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1h2o h ALA 21 Cb 0.33 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1h2o h ALA 21 CO -0.22 0.76 -0.35 0.35 0.00 0.00 0.00 179.25 179.79 1h2o h PHE 22 N 0.00 0.08 0.00 0.00 3.57 0.11 -3.09 116.94 117.61 1h2o h PHE 22 Ca -0.01 -0.06 -0.27 0.00 3.53 0.00 0.00 57.97 61.17 1h2o h PHE 22 Cb 1.36 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 40.06 1h2o h PHE 22 CO 0.00 1.14 -1.84 0.28 -2.23 0.00 0.00 178.31 175.65 1h2o n VAL 23 N -4.50 1.41 0.34 1.41 0.31 0.42 -2.67 118.33 115.06 1h2o n VAL 23 Ca -0.15 -0.16 0.04 0.00 -0.01 0.00 0.00 64.34 64.07 1h2o n VAL 23 Cb 0.57 -2.00 0.20 0.00 -0.91 0.00 0.00 33.84 31.70 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 -4.21 0.00 -0.66 7.52 4.32 -0.85 -2.92 117.00 120.20 1h2o n LEU 24 Ca -0.36 0.44 0.00 0.00 -0.02 0.00 0.00 56.01 56.07 1h2o n LEU 24 Cb 0.71 -0.44 -0.00 0.00 -1.62 0.00 0.00 43.42 42.07 1h2o n LEU 24 CO 0.09 -0.30 0.23 0.47 -1.22 0.00 0.00 177.39 176.65 1h2o n ASP 25 N -1.44 0.09 0.16 -1.43 8.00 0.52 -4.86 116.55 117.60 1h2o n ASP 25 Ca 0.03 -1.79 0.11 0.00 0.71 0.00 0.00 54.79 53.84 1h2o n ASP 25 Cb 0.09 -0.15 0.59 0.00 -0.02 0.00 0.00 41.12 41.63 1h2o n ASP 25 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h2o n ALA 26 N 0.07 1.03 0.14 2.24 0.00 -1.09 -0.56 120.51 122.34 1h2o n ALA 26 Ca -0.00 0.20 0.02 0.00 0.00 0.00 0.00 53.44 53.66 1h2o n ALA 26 Cb 0.72 -1.30 0.02 0.00 0.00 0.00 0.00 19.45 18.89 1h2o n ALA 26 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1h2o h ASP 27 N 0.00 0.00 0.00 0.00 3.32 -1.86 -3.34 116.42 114.54 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 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1h2o h ASP 27 CO 0.00 0.50 -0.07 -0.46 -1.72 0.00 0.00 179.24 177.49 1h2o n ASN 28 N -3.22 1.42 -0.13 6.45 0.23 -0.19 -4.30 115.26 115.52 1h2o n ASN 28 Ca 0.02 -2.13 -0.21 0.00 -0.53 0.00 0.00 54.58 51.73 1h2o n ASN 28 Cb 0.74 -0.15 -0.11 0.00 -2.08 0.00 0.00 39.78 38.17 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 -0.60 2.64 0.07 -4.53 -0.00 0.28 -4.16 117.00 110.70 1h2o n LEU 29 Ca 0.05 0.01 -0.21 0.00 -0.00 0.00 0.00 56.01 55.85 1h2o n LEU 29 Cb 0.48 -0.85 -0.12 0.00 -0.00 0.00 0.00 43.42 42.92 1h2o n LEU 29 CO 0.00 0.81 -0.00 0.58 -0.00 0.00 0.00 177.39 178.78 1h2o h VAL 30 N -0.30 1.31 0.00 1.96 2.07 -1.80 -2.72 116.25 116.77 1h2o h VAL 30 Ca -0.60 -2.38 0.00 0.00 0.82 0.00 0.00 66.70 64.54 1h2o h VAL 30 Cb 1.78 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 34.22 1h2o h VAL 30 CO -0.19 0.72 0.00 -0.81 0.02 0.00 0.00 177.57 177.31 1h2o n PRO 31 N -3.88 0.88 0.00 1.57 -0.04 -1.26 -2.87 135.00 129.41 1h2o n PRO 31 Ca -0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 1h2o n PRO 31 Cb 0.92 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 33.35 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 -0.46 3.28 -0.06 0.54 5.02 -1.21 -4.71 118.16 120.57 1h2o n LYS 32 Ca 0.00 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.23 1h2o n LYS 32 Cb 0.01 -0.94 -0.06 0.00 -0.02 0.00 0.00 35.03 34.02 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 0.81 -2.56 -0.18 2.04 -1.47 -3.45 117.51 112.70 1h2o h ILE 33 Ca 0.00 -1.61 -0.40 0.00 1.00 0.00 0.00 64.86 63.85 1h2o h ILE 33 Cb 0.89 1.53 -0.37 0.00 -0.74 0.00 0.00 36.82 38.13 1h2o h ILE 33 CO 0.00 0.27 -0.69 0.00 0.00 0.00 0.00 178.15 177.73 1h2o s ALA 34 N -2.40 0.04 -2.00 1.87 0.00 -1.14 -4.98 121.76 113.15 1h2o s ALA 34 Ca -0.09 -0.40 0.19 0.00 0.00 0.00 0.00 51.96 51.66 1h2o s ALA 34 Cb -0.01 -1.45 1.14 0.00 0.00 0.00 0.00 23.12 22.80 1h2o s ALA 34 CO 0.31 -1.49 1.53 -0.35 0.00 0.00 0.00 175.76 175.77 1h2o n PRO 35 N 5.29 0.62 0.19 0.00 -0.04 -1.26 -2.58 135.00 137.22 1h2o n PRO 35 Ca -0.05 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.52 1h2o n PRO 35 Cb 0.46 -1.48 0.13 0.00 -0.04 0.00 0.00 33.50 32.57 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 0.08 0.54 4.20 -1.91 -3.33 115.11 114.69 1h2o h GLN 36 Ca 0.00 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.36 1h2o h GLN 36 Cb 0.00 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 1h2o h GLN 36 CO 0.00 0.05 -1.92 0.00 -0.67 0.00 0.00 178.83 176.29 1h2o n ALA 37 N -2.13 0.93 -2.81 3.87 0.00 -1.06 -4.35 120.51 114.96 1h2o n ALA 37 Ca 0.03 -0.64 -0.14 0.00 0.00 0.00 0.00 53.44 52.69 1h2o n ALA 37 Cb 0.56 -0.57 -0.14 0.00 0.00 0.00 0.00 19.45 19.29 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 -2.52 0.24 0.03 0.00 1.09 -1.25 -4.30 121.20 114.49 1h2o s ILE 38 Ca -0.25 -0.14 -0.06 0.00 -1.10 0.00 0.00 60.65 59.10 1h2o s ILE 38 Cb 0.07 -0.21 -0.29 0.00 -1.06 0.00 0.00 42.46 40.97 1h2o s ILE 38 CO 0.71 0.06 0.96 0.50 -0.10 0.00 0.00 174.94 177.07 1h2o h LYS 39 N 6.06 0.31 -1.27 2.79 3.64 0.66 -3.40 116.57 125.35 1h2o h LYS 39 Ca -0.26 -0.53 0.24 0.00 -1.27 0.00 0.00 60.65 58.82 1h2o h LYS 39 Cb 1.20 0.20 -0.23 0.00 -0.41 0.00 0.00 32.23 32.99 1h2o h LYS 39 CO 0.50 1.21 0.86 -3.38 -2.27 0.00 0.00 179.45 176.38 1h2o s HIS 40 N -2.63 -0.11 -0.18 1.91 -3.43 -1.25 -4.93 115.29 104.68 1h2o s HIS 40 Ca -0.08 0.13 0.01 0.00 -0.80 0.00 0.00 55.06 54.32 1h2o s HIS 40 Cb 0.06 0.50 0.03 0.00 -1.43 0.00 0.00 32.58 31.75 1h2o s HIS 40 CO 0.88 -0.13 -0.12 -1.12 -2.00 0.00 0.00 174.74 172.25 1h2o s SER 41 N -1.58 3.13 -0.22 7.38 0.01 -1.26 -1.03 113.70 120.13 1h2o s SER 41 Ca 0.08 -0.73 0.01 0.00 1.31 0.00 0.00 55.95 56.62 1h2o s SER 41 Cb -0.01 -1.22 0.05 0.00 0.21 0.00 0.00 66.02 65.04 1h2o s SER 41 CO -0.05 -0.11 -0.11 -0.70 0.41 0.00 0.00 173.24 172.69 1h2o s GLU 42 N 1.42 2.14 0.27 12.44 2.56 -1.20 -4.82 118.70 131.52 1h2o s GLU 42 Ca 0.01 -1.01 -0.30 0.00 0.00 0.00 0.00 54.97 53.67 1h2o s GLU 42 Cb -0.15 -2.59 -0.11 0.00 2.00 0.00 0.00 34.13 33.28 1h2o s GLU 42 CO -0.09 -0.47 1.62 0.42 -0.56 0.00 0.00 175.26 176.18 1h2o s ILE 43 N 1.30 2.09 -0.06 -3.70 1.01 -1.26 -2.12 121.20 118.46 1h2o s ILE 43 Ca -0.03 0.07 0.13 0.00 0.00 0.00 0.00 60.65 60.82 1h2o s ILE 43 Cb -0.17 -3.04 -0.20 0.00 0.01 0.00 0.00 42.46 39.05 1h2o s ILE 43 CO -0.08 0.01 0.22 0.18 0.00 0.00 0.00 174.94 175.27 1h2o n LEU 44 N 2.60 0.00 -4.28 2.97 4.77 0.57 -4.89 117.00 118.74 1h2o n LEU 44 Ca 0.10 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.93 1h2o n LEU 44 Cb 0.37 0.11 -0.10 0.00 -2.33 0.00 0.00 43.42 41.47 1h2o n LEU 44 CO 0.64 0.11 -0.40 0.26 -1.33 0.00 0.00 177.39 176.67 1h2o s TRP 45 N -2.76 1.38 0.00 -1.77 0.52 -0.80 -4.83 118.94 110.68 1h2o s TRP 45 Ca -0.06 -0.78 0.00 0.00 0.02 0.00 0.00 56.10 55.29 1h2o s TRP 45 Cb 0.07 -0.72 0.00 0.00 -1.15 0.00 0.00 33.47 31.67 1h2o s TRP 45 CO 0.57 0.09 0.00 0.41 0.02 0.00 0.00 176.95 178.04 1h2o n GLY 46 N -0.27 2.21 0.54 0.98 0.00 -1.26 -3.34 105.19 104.04 1h2o n GLY 46 Ca -0.09 -0.10 -0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 0.29 -0.05 0.00 1.61 8.00 -1.26 -4.96 116.55 120.18 1h2o n ASP 47 Ca 0.00 -1.17 0.00 0.00 0.71 0.00 0.00 54.79 54.33 1h2o n ASP 47 Cb 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 1h2o n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1h2o n GLY 48 N 0.00 1.88 1.82 0.44 0.00 -1.26 -5.11 105.19 102.96 1h2o n GLY 48 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.88 3.71 -0.02 0.00 -1.26 -4.87 105.19 99.87 1h2o n GLY 49 Ca 0.00 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 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 -4.27 4.42 0.00 1.61 0.04 -1.26 -2.77 135.00 132.76 1h2o s PRO 50 Ca 0.37 1.78 0.00 0.00 0.04 0.00 0.00 61.00 63.20 1h2o s PRO 50 Cb -0.04 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1h2o s PRO 50 CO 0.29 -0.29 0.00 0.41 0.04 0.00 0.00 177.00 177.45 1h2o n GLY 51 N 3.25 1.47 3.67 0.56 0.00 0.32 -4.95 105.19 109.51 1h2o n GLY 51 Ca 0.09 0.00 -0.29 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 -2.32 2.39 -0.08 2.61 2.01 -1.12 -4.70 115.64 114.44 1h2o s THR 52 Ca 0.00 0.13 -0.01 0.00 0.31 0.00 0.00 61.69 62.12 1h2o s THR 52 Cb 0.00 -2.53 0.03 0.00 0.01 0.00 0.00 72.50 70.01 1h2o s THR 52 CO 0.00 -0.17 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.10 1h2o s ILE 53 N -2.86 0.63 -0.13 1.82 1.01 -1.21 -0.86 121.20 119.60 1h2o s ILE 53 Ca 0.65 -0.06 -0.01 0.00 0.00 0.00 0.00 60.65 61.22 1h2o s ILE 53 Cb -0.19 -0.71 -0.02 0.00 0.01 0.00 0.00 42.46 41.54 1h2o s ILE 53 CO 0.58 0.29 -0.08 -0.54 0.00 0.00 0.00 174.94 175.20 1h2o s LYS 54 N 1.70 3.36 -0.81 2.79 1.02 0.20 0.21 119.74 128.20 1h2o s LYS 54 Ca 0.02 -0.59 -0.13 0.00 0.02 0.00 0.00 55.97 55.30 1h2o s LYS 54 Cb -0.13 -2.74 0.21 0.00 -0.52 0.00 0.00 37.83 34.66 1h2o s LYS 54 CO -0.05 0.33 0.74 0.21 -0.92 0.00 0.00 175.35 175.66 1h2o s LYS 55 N 0.09 3.50 0.32 1.68 2.20 -0.90 0.12 119.74 126.75 1h2o s LYS 55 Ca -0.03 -2.49 -0.26 0.00 -0.36 0.00 0.00 55.97 52.84 1h2o s LYS 55 Cb -0.14 -4.36 -0.10 0.00 -1.51 0.00 0.00 37.83 31.73 1h2o s LYS 55 CO 0.03 -1.28 0.94 0.42 -0.36 0.00 0.00 175.35 175.11 1h2o s ILE 56 N 0.11 4.21 0.26 5.43 1.01 0.47 -3.25 121.20 129.44 1h2o s ILE 56 Ca 0.18 1.82 0.11 0.00 0.00 0.00 0.00 60.65 62.76 1h2o s ILE 56 Cb -0.11 -4.01 -0.05 0.00 0.01 0.00 0.00 42.46 38.30 1h2o s ILE 56 CO -0.08 0.14 -0.13 0.42 0.00 0.00 0.00 174.94 175.28 1h2o s THR 57 N -1.62 2.84 0.12 2.92 -4.23 -0.19 0.14 115.64 115.61 1h2o s THR 57 Ca 0.50 -2.16 0.11 0.00 -1.18 0.00 0.00 61.69 58.96 1h2o s THR 57 Cb -0.19 -2.48 -0.04 0.00 1.34 0.00 0.00 72.50 71.13 1h2o s THR 57 CO 0.24 -0.35 -0.26 -0.36 -0.54 0.00 0.00 174.62 173.35 1h2o s PHE 58 N -2.32 2.33 -0.32 3.99 0.08 0.72 0.11 117.98 122.58 1h2o s PHE 58 Ca 0.29 -0.37 0.08 0.00 0.12 0.00 0.00 56.93 57.05 1h2o s PHE 58 Cb -0.06 -1.27 0.52 0.00 -0.57 0.00 0.00 43.02 41.64 1h2o s PHE 58 CO 0.16 0.33 1.51 0.41 -0.10 0.00 0.00 175.22 177.52 1h2o n GLY 59 N 0.97 4.98 0.46 4.36 0.00 -1.26 -4.23 105.19 110.46 1h2o n GLY 59 Ca -0.18 -1.31 0.26 0.00 0.00 0.00 0.00 46.02 44.79 1h2o n GLY 59 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1h2o h GLU 60 N 1.08 0.00 0.00 1.61 5.08 -1.88 -3.46 114.58 117.01 1h2o h GLU 60 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1h2o h GLU 60 Cb 1.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.97 1h2o h GLU 60 CO 0.49 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.91 1h2o n GLY 61 N -1.61 -0.60 0.31 -3.84 0.00 -1.26 -4.99 105.19 93.21 1h2o n GLY 61 Ca 0.15 -0.82 -0.06 0.00 0.00 0.00 0.00 46.02 45.29 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 1.00 -3.02 1.61 0.02 -1.97 -3.44 113.55 107.75 1h2o h SER 62 Ca 0.00 -0.16 -0.58 0.00 -0.84 0.00 0.00 61.79 60.20 1h2o h SER 62 Cb 0.00 -0.26 0.17 0.00 0.14 0.00 0.00 62.40 62.45 1h2o h SER 62 CO 0.00 0.89 -0.30 0.00 -1.14 0.00 0.00 176.83 176.28 1h2o n GLN 63 N -4.35 0.60 -2.92 3.45 6.02 -1.26 -4.89 117.38 114.02 1h2o n GLN 63 Ca 0.06 0.23 -0.41 0.00 -0.01 0.00 0.00 57.00 56.87 1h2o n GLN 63 Cb 0.17 -1.77 -0.04 0.00 1.02 0.00 0.00 30.24 29.62 1h2o n GLN 63 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1h2o s TYR 64 N -1.66 3.40 -0.38 1.08 2.02 -1.26 -4.83 117.35 115.71 1h2o s TYR 64 Ca 0.69 1.20 0.01 0.00 -0.37 0.00 0.00 57.07 58.60 1h2o s TYR 64 Cb -0.45 -2.99 0.13 0.00 -0.40 0.00 0.00 41.96 38.25 1h2o s TYR 64 CO 0.53 -0.25 0.21 0.20 -1.57 0.00 0.00 175.55 174.67 1h2o s GLY 65 N 1.19 1.25 0.26 0.71 0.00 -1.26 -5.02 107.32 104.45 1h2o s GLY 65 Ca 0.37 -2.15 0.04 0.00 0.00 0.00 0.00 44.72 42.97 1h2o s GLY 65 CO 0.11 1.77 0.01 -2.52 0.00 0.00 0.00 173.10 172.47 1h2o s TYR 66 N 0.85 1.70 0.24 1.90 -0.85 -1.26 0.26 117.35 120.19 1h2o s TYR 66 Ca 0.16 -0.91 -0.02 0.00 -0.52 0.00 0.00 57.07 55.78 1h2o s TYR 66 Cb -0.23 -1.02 -0.03 0.00 0.38 0.00 0.00 41.96 41.07 1h2o s TYR 66 CO -0.04 -0.00 0.25 0.14 -1.52 0.00 0.00 175.55 174.38 1h2o s VAL 67 N -3.36 0.00 -0.11 -3.49 -7.23 0.36 -4.16 120.40 102.40 1h2o s VAL 67 Ca 0.31 -1.85 0.01 0.00 -1.81 0.00 0.00 61.98 58.64 1h2o s VAL 67 Cb 0.06 -2.46 0.02 0.00 0.56 0.00 0.00 36.38 34.56 1h2o s VAL 67 CO 0.11 0.00 -0.15 -0.54 -0.31 0.00 0.00 175.10 174.21 1h2o s LYS 68 N -3.92 2.22 -0.16 4.82 1.02 -1.26 -0.39 119.74 122.07 1h2o s LYS 68 Ca 0.35 -0.55 -0.02 0.00 0.02 0.00 0.00 55.97 55.77 1h2o s LYS 68 Cb 0.04 -1.92 -0.01 0.00 -0.52 0.00 0.00 37.83 35.43 1h2o s LYS 68 CO 0.15 -0.09 -0.10 -1.01 -0.92 0.00 0.00 175.35 173.37 1h2o s HIS 69 N 1.08 2.87 -0.32 3.18 3.76 0.32 -2.32 115.29 123.86 1h2o s HIS 69 Ca -0.05 -0.78 -0.14 0.00 -0.15 0.00 0.00 55.06 53.95 1h2o s HIS 69 Cb -0.15 -1.94 -0.03 0.00 1.11 0.00 0.00 32.58 31.58 1h2o s HIS 69 CO -0.03 -0.35 0.31 0.15 -0.85 0.00 0.00 174.74 173.98 1h2o s LYS 70 N 0.77 3.72 0.19 1.40 1.02 0.36 0.58 119.74 127.79 1h2o s LYS 70 Ca -0.04 -0.34 -0.32 0.00 0.02 0.00 0.00 55.97 55.29 1h2o s LYS 70 Cb -0.15 -3.75 -0.12 0.00 -0.52 0.00 0.00 37.83 33.30 1h2o s LYS 70 CO 0.01 -0.40 1.76 0.42 -0.92 0.00 0.00 175.35 176.23 1h2o s ILE 71 N 1.94 2.14 -0.24 2.17 -1.09 -0.04 0.11 121.20 126.19 1h2o s ILE 71 Ca 0.11 0.01 -0.06 0.00 -2.23 0.00 0.00 60.65 58.48 1h2o s ILE 71 Cb -0.16 -3.00 -0.13 0.00 -1.58 0.00 0.00 42.46 37.59 1h2o s ILE 71 CO 0.11 0.00 -0.26 0.47 -1.23 0.00 0.00 174.94 174.03 1h2o n ASP 72 N 4.47 1.96 -3.52 3.58 8.00 0.39 0.12 116.55 131.55 1h2o n ASP 72 Ca 0.17 0.10 -0.08 0.00 0.71 0.00 0.00 54.79 55.68 1h2o n ASP 72 Cb 0.36 -0.55 -0.02 0.00 -0.02 0.00 0.00 41.12 40.89 1h2o n ASP 72 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1h2o s SER 73 N -6.73 -0.34 0.05 -2.24 0.01 0.33 -4.66 113.70 100.12 1h2o s SER 73 Ca -0.33 0.04 -0.02 0.00 1.31 0.00 0.00 55.95 56.95 1h2o s SER 73 Cb 0.11 0.35 -0.03 0.00 0.21 0.00 0.00 66.02 66.66 1h2o s SER 73 CO 0.47 -0.56 0.01 -0.63 0.41 0.00 0.00 173.24 172.95 1h2o s ILE 74 N -2.86 0.19 -0.48 1.44 1.01 -1.26 -0.36 121.20 118.88 1h2o s ILE 74 Ca 0.05 -1.59 0.04 0.00 0.00 0.00 0.00 60.65 59.15 1h2o s ILE 74 Cb -0.01 -1.34 0.17 0.00 0.01 0.00 0.00 42.46 41.29 1h2o s ILE 74 CO -0.08 -0.88 0.38 -1.81 0.00 0.00 0.00 174.94 172.55 1h2o s ASP 75 N -2.73 2.19 0.52 3.58 1.11 -0.01 -4.92 116.67 116.41 1h2o s ASP 75 Ca 0.04 -3.26 0.35 0.00 0.18 0.00 0.00 52.55 49.87 1h2o s ASP 75 Cb 0.05 -0.71 1.82 0.00 1.07 0.00 0.00 42.92 45.15 1h2o s ASP 75 CO -0.09 -0.15 2.07 0.11 1.18 0.00 0.00 175.17 178.29 1h2o h LYS 76 N 5.57 0.00 0.02 8.23 1.57 -1.96 2.34 116.57 132.35 1h2o h LYS 76 Ca 0.24 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.70 1h2o h LYS 76 Cb 0.87 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.13 1h2o h LYS 76 CO 0.45 0.00 -1.87 0.39 -0.57 0.00 0.00 179.45 177.85 1h2o n GLU 77 N -2.79 0.66 0.00 3.15 1.02 -1.26 -4.17 120.64 117.25 1h2o n GLU 77 Ca -0.02 0.24 0.09 0.00 -0.02 0.00 0.00 57.16 57.46 1h2o n GLU 77 Cb 0.11 -1.73 -0.04 0.00 -0.02 0.00 0.00 31.44 29.76 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 -3.07 1.43 -2.72 1.62 3.02 -0.73 -5.00 115.26 109.82 1h2o n ASN 78 Ca -0.22 -1.22 -0.12 0.00 -0.03 0.00 0.00 54.58 52.99 1h2o n ASN 78 Cb 1.07 0.66 0.06 0.00 -0.61 0.00 0.00 39.78 40.96 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 -0.56 -1.58 -4.39 3.10 4.01 0.78 -4.14 117.16 114.38 1h2o n TYR 79 Ca 0.06 0.65 -0.22 0.00 -0.16 0.00 0.00 57.90 58.23 1h2o n TYR 79 Cb 0.35 -4.08 -0.11 0.00 -0.31 0.00 0.00 39.34 35.19 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 -3.83 3.01 -0.05 7.72 0.01 -0.86 -0.15 113.70 119.54 1h2o s SER 80 Ca 0.06 -0.96 -0.06 0.00 1.31 0.00 0.00 55.95 56.30 1h2o s SER 80 Cb -0.01 -0.20 0.01 0.00 0.21 0.00 0.00 66.02 66.03 1h2o s SER 80 CO 0.52 -0.03 0.16 -0.47 0.41 0.00 0.00 173.24 173.82 1h2o s TYR 81 N -2.41 -0.16 -0.10 2.43 5.04 0.19 -0.83 117.35 121.51 1h2o s TYR 81 Ca 0.22 0.38 -0.05 0.00 -2.44 0.00 0.00 57.07 55.19 1h2o s TYR 81 Cb -0.04 0.05 0.05 0.00 0.35 0.00 0.00 41.96 42.37 1h2o s TYR 81 CO 0.10 -0.11 0.23 -1.12 -1.34 0.00 0.00 175.55 173.31 1h2o s SER 82 N -0.06 -0.02 0.24 4.32 0.01 0.51 0.16 113.70 118.85 1h2o s SER 82 Ca -0.01 0.49 -0.07 0.00 1.31 0.00 0.00 55.95 57.66 1h2o s SER 82 Cb -0.02 0.43 -0.02 0.00 0.21 0.00 0.00 66.02 66.62 1h2o s SER 82 CO 0.00 -0.19 0.33 -0.72 0.41 0.00 0.00 173.24 173.08 1h2o s TYR 83 N 1.58 0.75 -0.05 2.43 1.13 -0.39 0.15 117.35 122.96 1h2o s TYR 83 Ca -0.06 -1.04 0.05 0.00 -1.41 0.00 0.00 57.07 54.61 1h2o s TYR 83 Cb -0.11 -0.15 -0.01 0.00 -1.10 0.00 0.00 41.96 40.60 1h2o s TYR 83 CO -0.08 -0.86 -0.19 0.99 -2.51 0.00 0.00 175.55 172.90 1h2o s THR 84 N -4.01 1.59 -0.24 -3.49 2.01 0.29 -0.19 115.64 111.60 1h2o s THR 84 Ca 0.30 -0.81 -0.11 0.00 0.31 0.00 0.00 61.69 61.38 1h2o s THR 84 Cb 0.03 -1.36 -0.05 0.00 0.01 0.00 0.00 72.50 71.13 1h2o s THR 84 CO 0.11 0.45 0.19 -0.22 -0.69 0.00 0.00 174.62 174.46 1h2o s LEU 85 N -0.03 4.11 -0.01 4.42 2.96 -0.20 0.14 118.68 130.06 1h2o s LEU 85 Ca -0.03 0.13 0.15 0.00 -0.22 0.00 0.00 54.13 54.15 1h2o s LEU 85 Cb -0.12 -2.14 -0.20 0.00 0.50 0.00 0.00 46.19 44.23 1h2o s LEU 85 CO 0.02 0.04 0.45 2.30 -1.32 0.00 0.00 176.35 177.84 1h2o n ILE 86 N 4.40 0.00 -4.69 6.68 -5.35 -0.98 -1.11 119.36 118.31 1h2o n ILE 86 Ca -0.14 -0.26 -0.31 0.00 -0.27 0.00 0.00 62.75 61.77 1h2o n ILE 86 Cb 0.52 0.52 -0.09 0.00 -1.74 0.00 0.00 39.64 38.85 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 -2.75 2.09 0.00 6.28 2.12 -1.25 -4.88 118.70 120.31 1h2o s GLU 87 Ca -0.01 -2.30 0.00 0.00 0.36 0.00 0.00 54.97 53.03 1h2o s GLU 87 Cb 0.10 -1.44 0.00 0.00 0.26 0.00 0.00 34.13 33.05 1h2o s GLU 87 CO 0.61 -0.29 0.00 0.41 -0.54 0.00 0.00 175.26 175.44 1h2o n GLY 88 N -1.14 3.75 0.18 -1.50 0.00 -1.26 -4.29 105.19 100.94 1h2o n GLY 88 Ca -0.14 -0.62 0.11 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.12 1.61 3.32 -1.96 -1.24 116.42 118.03 1h2o h ASP 89 Ca 0.00 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.83 1h2o h ASP 89 Cb 0.00 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.56 1h2o h ASP 89 CO 0.00 0.00 -0.79 0.00 -1.72 0.00 0.00 179.24 176.73 1h2o h ALA 90 N 1.78 0.26 -0.91 3.45 0.00 -1.96 -3.24 119.26 118.63 1h2o h ALA 90 Ca 0.00 -0.61 0.22 0.00 0.00 0.00 0.00 54.91 54.52 1h2o h ALA 90 Cb 0.17 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 17.79 1h2o h ALA 90 CO 0.00 0.64 -0.07 -0.07 0.00 0.00 0.00 179.25 179.75 1h2o h LEU 91 N 0.46 -0.59 0.00 0.00 3.38 -1.47 -3.43 115.31 113.67 1h2o h LEU 91 Ca -0.07 0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1h2o h LEU 91 Cb 1.43 0.49 0.00 0.00 0.09 0.00 0.00 40.66 42.67 1h2o h LEU 91 CO 0.16 -0.30 0.00 0.61 0.09 0.00 0.00 178.44 179.01 1h2o n GLY 92 N -1.51 0.23 0.06 0.83 0.00 -1.23 0.60 105.19 104.18 1h2o n GLY 92 Ca 0.18 -0.54 0.12 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.84 0.19 -0.05 1.61 8.00 -1.26 -3.62 116.55 117.59 1h2o n ASP 93 Ca 0.00 -1.30 -0.21 0.00 0.71 0.00 0.00 54.79 53.98 1h2o n ASP 93 Cb 0.00 -0.01 -0.13 0.00 -0.02 0.00 0.00 41.12 40.96 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 -0.73 1.67 -4.46 -3.53 -2.24 -1.07 -4.80 114.28 99.12 1h2o n THR 94 Ca 0.18 -0.51 -0.24 0.00 -2.27 0.00 0.00 64.05 61.21 1h2o n THR 94 Cb 0.11 -1.74 -0.10 0.00 -2.10 0.00 0.00 70.33 66.50 1h2o n THR 94 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1h2o s LEU 95 N -7.13 2.63 0.00 3.22 2.96 0.20 -4.00 118.68 116.55 1h2o s LEU 95 Ca -0.27 -1.00 0.00 0.00 -0.22 0.00 0.00 54.13 52.64 1h2o s LEU 95 Cb 0.07 -1.14 0.00 0.00 0.50 0.00 0.00 46.19 45.62 1h2o s LEU 95 CO 0.69 0.04 0.00 1.21 -1.32 0.00 0.00 176.35 176.97 1h2o n GLU 96 N -0.62 0.00 -2.76 1.98 2.13 -0.47 -4.07 120.64 116.82 1h2o n GLU 96 Ca -0.05 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.37 1h2o n GLU 96 Cb 0.60 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.25 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 4.82 -0.02 5.31 1.02 -1.16 -4.77 119.74 124.94 1h2o s LYS 97 Ca 0.00 1.47 0.07 0.00 0.02 0.00 0.00 55.97 57.52 1h2o s LYS 97 Cb 0.00 -3.29 -0.02 0.00 -0.52 0.00 0.00 37.83 34.00 1h2o s LYS 97 CO 0.00 0.49 -0.22 0.42 -0.92 0.00 0.00 175.35 175.12 1h2o s ILE 98 N -1.04 1.74 -0.14 2.17 -1.09 -0.26 0.02 121.20 122.59 1h2o s ILE 98 Ca 0.41 -0.94 0.01 0.00 -2.23 0.00 0.00 60.65 57.91 1h2o s ILE 98 Cb -0.26 -1.44 -0.00 0.00 -1.58 0.00 0.00 42.46 39.18 1h2o s ILE 98 CO 0.31 0.49 -0.18 -0.44 -1.23 0.00 0.00 174.94 173.90 1h2o s SER 99 N -0.51 3.49 -0.04 3.58 0.01 -0.92 -1.03 113.70 118.27 1h2o s SER 99 Ca 0.08 -0.50 0.07 0.00 1.31 0.00 0.00 55.95 56.92 1h2o s SER 99 Cb -0.09 -1.52 -0.02 0.00 0.21 0.00 0.00 66.02 64.61 1h2o s SER 99 CO -0.01 0.11 -0.25 -0.31 0.41 0.00 0.00 173.24 173.19 1h2o s TYR 100 N 0.67 2.41 -0.05 2.43 2.02 0.73 -0.24 117.35 125.32 1h2o s TYR 100 Ca -0.09 -0.56 -0.03 0.00 -0.37 0.00 0.00 57.07 56.02 1h2o s TYR 100 Cb -0.16 -1.56 0.03 0.00 -0.40 0.00 0.00 41.96 39.87 1h2o s TYR 100 CO 0.02 -0.11 0.13 -2.00 -1.57 0.00 0.00 175.55 172.01 1h2o s GLU 101 N -0.39 0.10 0.02 -0.62 2.12 0.10 -1.26 118.70 118.78 1h2o s GLU 101 Ca 0.03 0.27 0.03 0.00 0.36 0.00 0.00 54.97 55.66 1h2o s GLU 101 Cb -0.12 -0.07 -0.02 0.00 0.26 0.00 0.00 34.13 34.18 1h2o s GLU 101 CO 0.01 -0.10 -0.09 0.99 -0.54 0.00 0.00 175.26 175.53 1h2o s THR 102 N 0.66 0.71 -0.01 -1.70 2.01 0.43 0.76 115.64 118.51 1h2o s THR 102 Ca -0.05 -0.77 -0.01 0.00 0.31 0.00 0.00 61.69 61.17 1h2o s THR 102 Cb -0.07 -0.67 0.00 0.00 0.01 0.00 0.00 72.50 71.77 1h2o s THR 102 CO -0.03 -0.07 0.02 -0.54 -0.69 0.00 0.00 174.62 173.30 1h2o s LYS 103 N -0.93 0.04 0.12 4.92 1.02 0.21 0.54 119.74 125.66 1h2o s LYS 103 Ca -0.02 -0.02 0.10 0.00 0.02 0.00 0.00 55.97 56.06 1h2o s LYS 103 Cb -0.07 0.02 -0.04 0.00 -0.52 0.00 0.00 37.83 37.22 1h2o s LYS 103 CO 0.00 -0.01 -0.26 -0.51 -0.92 0.00 0.00 175.35 173.66 1h2o s LEU 104 N -0.10 2.30 0.00 3.17 1.43 0.79 0.14 118.68 126.42 1h2o s LEU 104 Ca -0.01 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 52.36 1h2o s LEU 104 Cb -0.01 -1.16 0.00 0.00 0.03 0.00 0.00 46.19 45.06 1h2o s LEU 104 CO -0.00 0.16 0.00 0.52 0.23 0.00 0.00 176.35 177.26 1h2o n VAL 105 N 1.01 0.00 -4.35 -1.59 0.31 0.39 -4.60 118.33 109.51 1h2o n VAL 105 Ca -0.18 0.00 -0.19 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 -1.70 2.03 0.42 3.52 0.00 -1.26 -1.39 121.76 123.37 1h2o s ALA 106 Ca 0.00 -1.68 0.07 0.00 0.00 0.00 0.00 51.96 50.35 1h2o s ALA 106 Cb 0.00 -0.05 -0.07 0.00 0.00 0.00 0.00 23.12 23.00 1h2o s ALA 106 CO 0.00 0.04 0.03 -1.54 0.00 0.00 0.00 175.76 174.29 1h2o s SER 107 N -3.32 3.96 0.25 0.00 1.04 -0.56 -4.49 113.70 110.57 1h2o s SER 107 Ca 0.23 -1.36 0.24 0.00 0.48 0.00 0.00 55.95 55.55 1h2o s SER 107 Cb -0.00 -0.35 0.94 0.00 0.10 0.00 0.00 66.02 66.71 1h2o s SER 107 CO 0.07 -0.49 1.74 -0.81 0.98 0.00 0.00 173.24 174.73 1h2o n PRO 108 N -1.02 0.22 -0.20 4.02 -0.04 -1.26 -2.44 135.00 134.28 1h2o n PRO 108 Ca -0.05 0.37 0.10 0.00 -0.04 0.00 0.00 63.50 63.87 1h2o n PRO 108 Cb 0.67 -1.86 0.27 0.00 -0.04 0.00 0.00 33.50 32.53 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 -2.26 2.73 0.00 3.54 3.41 -1.26 -4.91 113.62 114.87 1h2o n SER 109 Ca 0.03 -1.92 0.00 0.00 -0.26 0.00 0.00 58.87 56.72 1h2o n SER 109 Cb 0.29 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 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 1.34 2.82 0.77 5.00 0.00 -1.02 -5.03 105.19 109.07 1h2o n GLY 110 Ca 0.18 -0.07 -0.07 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.46 2.91 -0.02 0.00 -1.26 -4.61 105.19 98.75 1h2o n GLY 111 Ca 0.00 -1.14 -0.15 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.16 0.43 0.19 1.61 1.04 0.43 -1.49 113.70 113.76 1h2o s SER 112 Ca 0.15 -0.06 -0.08 0.00 0.48 0.00 0.00 55.95 56.44 1h2o s SER 112 Cb -0.03 -0.10 -0.07 0.00 0.10 0.00 0.00 66.02 65.93 1h2o s SER 112 CO 0.13 0.01 0.48 -0.63 0.98 0.00 0.00 173.24 174.21 1h2o s ILE 113 N 0.17 5.02 -0.06 -1.02 1.01 -0.49 0.99 121.20 126.82 1h2o s ILE 113 Ca -0.01 0.33 0.01 0.00 0.00 0.00 0.00 60.65 60.98 1h2o s ILE 113 Cb -0.04 -3.62 0.02 0.00 0.01 0.00 0.00 42.46 38.82 1h2o s ILE 113 CO -0.00 -0.01 -0.08 -0.63 0.00 0.00 0.00 174.94 174.22 1h2o s ILE 114 N -1.73 0.87 -0.28 2.92 1.01 0.36 0.15 121.20 124.49 1h2o s ILE 114 Ca 0.44 -0.30 0.01 0.00 0.00 0.00 0.00 60.65 60.80 1h2o s ILE 114 Cb -0.12 -0.84 0.06 0.00 0.01 0.00 0.00 42.46 41.58 1h2o s ILE 114 CO 0.22 0.30 -0.05 -0.75 0.00 0.00 0.00 174.94 174.66 1h2o s LYS 115 N 0.90 2.22 0.20 2.79 2.20 0.37 -1.30 119.74 127.12 1h2o s LYS 115 Ca -0.11 -1.39 0.05 0.00 -0.36 0.00 0.00 55.97 54.16 1h2o s LYS 115 Cb -0.15 -3.03 -0.04 0.00 -1.51 0.00 0.00 37.83 33.10 1h2o s LYS 115 CO 0.01 -0.64 0.23 -1.12 -0.36 0.00 0.00 175.35 173.48 1h2o s SER 116 N 1.15 5.87 -0.23 1.43 0.01 -0.16 0.66 113.70 122.43 1h2o s SER 116 Ca -0.05 -0.05 -0.08 0.00 1.31 0.00 0.00 55.95 57.08 1h2o s SER 116 Cb -0.20 -1.63 0.11 0.00 0.21 0.00 0.00 66.02 64.51 1h2o s SER 116 CO -0.04 0.01 0.50 -0.89 0.41 0.00 0.00 173.24 173.22 1h2o s THR 117 N -1.90 -0.77 0.10 1.44 2.01 0.23 -0.26 115.64 116.48 1h2o s THR 117 Ca 0.33 0.10 0.10 0.00 0.31 0.00 0.00 61.69 62.53 1h2o s THR 117 Cb -0.09 -0.79 -0.04 0.00 0.01 0.00 0.00 72.50 71.59 1h2o s THR 117 CO 0.26 0.04 -0.25 -0.94 -0.69 0.00 0.00 174.62 173.05 1h2o s SER 118 N 2.71 3.42 0.08 3.53 1.04 0.14 0.00 113.70 124.63 1h2o s SER 118 Ca -0.02 -0.65 0.04 0.00 0.48 0.00 0.00 55.95 55.80 1h2o s SER 118 Cb -0.12 -0.33 -0.03 0.00 0.10 0.00 0.00 66.02 65.64 1h2o s SER 118 CO -0.15 0.21 -0.11 -1.00 0.98 0.00 0.00 173.24 173.16 1h2o s HIS 119 N -1.00 1.08 -0.17 5.02 3.76 0.67 0.12 115.29 124.78 1h2o s HIS 119 Ca 0.14 -0.57 0.01 0.00 -0.15 0.00 0.00 55.06 54.49 1h2o s HIS 119 Cb -0.10 -0.60 0.02 0.00 1.11 0.00 0.00 32.58 33.01 1h2o s HIS 119 CO 0.06 0.02 -0.18 0.71 -0.85 0.00 0.00 174.74 174.50 1h2o s TYR 120 N -1.92 2.54 -0.54 1.40 1.51 -0.91 -2.16 117.35 117.27 1h2o s TYR 120 Ca 0.01 -1.48 -0.20 0.00 -1.01 0.00 0.00 57.07 54.39 1h2o s TYR 120 Cb -0.06 -1.79 0.06 0.00 -0.11 0.00 0.00 41.96 40.06 1h2o s TYR 120 CO 0.01 -0.75 0.72 -1.01 -1.11 0.00 0.00 175.55 173.40 1h2o s HIS 121 N 1.37 2.97 0.35 2.71 3.76 0.10 0.15 115.29 126.70 1h2o s HIS 121 Ca 0.05 -0.54 -0.25 0.00 -0.15 0.00 0.00 55.06 54.17 1h2o s HIS 121 Cb -0.13 -3.77 -0.10 0.00 1.11 0.00 0.00 32.58 29.70 1h2o s HIS 121 CO -0.12 -1.18 0.99 0.95 -0.85 0.00 0.00 174.74 174.53 1h2o s THR 122 N 2.96 4.00 -0.20 1.30 -4.23 -1.24 -1.37 115.64 116.85 1h2o s THR 122 Ca 0.17 1.62 -0.07 0.00 -1.18 0.00 0.00 61.69 62.24 1h2o s THR 122 Cb -0.19 -3.88 -0.03 0.00 1.34 0.00 0.00 72.50 69.73 1h2o s THR 122 CO 0.12 0.10 0.04 -0.75 -0.54 0.00 0.00 174.62 173.59 1h2o s LYS 123 N -2.19 3.81 4.28 3.99 2.20 -1.26 -4.81 119.74 125.77 1h2o s LYS 123 Ca 0.53 -0.42 0.00 0.00 -0.36 0.00 0.00 55.97 55.71 1h2o s LYS 123 Cb -0.20 -3.18 0.00 0.00 -1.51 0.00 0.00 37.83 32.93 1h2o s LYS 123 CO 0.26 0.13 0.00 0.41 -0.36 0.00 0.00 175.35 175.79 1h2o n GLY 124 N 3.96 0.41 2.84 5.54 0.00 -1.26 -4.03 105.19 112.64 1h2o n GLY 124 Ca -0.17 -0.90 -0.31 0.00 0.00 0.00 0.00 46.02 44.65 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 4.23 5.39 -4.28 1.61 5.15 -1.26 -5.03 115.26 121.08 1h2o n ASN 125 Ca 0.00 -3.69 -0.15 0.00 -0.60 0.00 0.00 54.58 50.14 1h2o n ASN 125 Cb 0.00 -0.74 -0.10 0.00 -0.53 0.00 0.00 39.78 38.41 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 -4.47 1.15 -0.00 3.44 -7.23 -1.26 -5.16 120.40 106.87 1h2o s VAL 126 Ca 0.46 -2.06 0.01 0.00 -1.81 0.00 0.00 61.98 58.58 1h2o s VAL 126 Cb 0.26 -2.01 -0.00 0.00 0.56 0.00 0.00 36.38 35.19 1h2o s VAL 126 CO -0.14 -0.61 -0.03 -1.61 -0.31 0.00 0.00 175.10 172.40 1h2o s GLU 127 N -3.78 0.26 1.30 4.82 2.02 -1.26 -4.65 118.70 117.40 1h2o s GLU 127 Ca 0.20 -0.11 -0.17 0.00 0.02 0.00 0.00 54.97 54.92 1h2o s GLU 127 Cb 0.03 -0.25 0.33 0.00 0.10 0.00 0.00 34.13 34.34 1h2o s GLU 127 CO 0.03 0.06 0.94 -0.89 0.02 0.00 0.00 175.26 175.43 1h2o n ILE 128 N 3.04 0.00 -3.32 -1.63 -0.00 -1.26 -4.90 119.36 111.28 1h2o n ILE 128 Ca -0.13 -0.33 -0.38 0.00 -0.00 0.00 0.00 62.75 61.91 1h2o n ILE 128 Cb 0.59 -0.99 -0.06 0.00 -0.00 0.00 0.00 39.64 39.17 1h2o n ILE 128 CO 0.00 0.00 0.00 -0.54 -0.00 0.00 0.00 176.55 176.01 1h2o s LYS 129 N -4.59 4.26 0.29 0.38 1.02 -1.26 -4.95 119.74 114.89 1h2o s LYS 129 Ca 0.68 0.38 0.02 0.00 0.02 0.00 0.00 55.97 57.06 1h2o s LYS 129 Cb -0.21 -3.49 0.70 0.00 -0.52 0.00 0.00 37.83 34.30 1h2o s LYS 129 CO 0.63 0.03 1.64 0.93 -0.92 0.00 0.00 175.35 177.67 1h2o h GLU 130 N 7.06 0.19 -0.68 1.68 5.08 -1.99 1.03 114.58 126.95 1h2o h GLU 130 Ca -0.38 -0.01 0.19 0.00 -1.00 0.00 0.00 59.36 58.16 1h2o h GLU 130 Cb 1.17 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 1h2o h GLU 130 CO 0.74 0.13 0.49 1.49 -1.00 0.00 0.00 179.01 180.86 1h2o h GLU 131 N 0.20 0.02 0.15 2.33 4.57 -1.98 0.32 114.58 120.18 1h2o h GLU 131 Ca 0.55 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.72 1h2o h GLU 131 Cb 1.10 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 1h2o h GLU 131 CO -0.66 0.02 -0.07 1.25 -1.18 0.00 0.00 179.01 178.36 1h2o h HIS 132 N 0.02 -0.18 -0.47 0.92 2.76 0.72 -1.31 115.15 117.61 1h2o h HIS 132 Ca 0.32 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.52 1h2o h HIS 132 Cb 1.27 0.06 -0.03 0.00 1.55 0.00 0.00 27.41 30.26 1h2o h HIS 132 CO -0.00 0.07 0.31 0.28 -1.30 0.00 0.00 177.93 177.29 1h2o h VAL 133 N -1.01 1.06 -0.02 5.26 2.07 -1.11 -0.77 116.25 121.73 1h2o h VAL 133 Ca -0.02 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 1h2o h VAL 133 Cb 0.33 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1h2o h VAL 133 CO 0.03 0.10 -0.06 0.50 0.02 0.00 0.00 177.57 178.16 1h2o h LYS 134 N 0.55 0.08 0.00 1.57 3.64 -0.47 -3.07 116.57 118.88 1h2o h LYS 134 Ca 0.19 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1h2o h LYS 134 Cb 0.06 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1h2o h LYS 134 CO -0.05 0.68 -0.04 0.00 -2.27 0.00 0.00 179.45 177.77 1h2o h ALA 135 N 0.40 1.90 -0.12 5.00 0.00 -0.88 -1.15 119.26 124.41 1h2o h ALA 135 Ca -0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1h2o h ALA 135 Cb 0.68 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1h2o h ALA 135 CO 0.01 0.05 -0.28 0.78 0.00 0.00 0.00 179.25 179.82 1h2o h GLY 136 N 0.13 0.24 1.37 0.00 0.00 -1.10 -2.10 103.07 101.61 1h2o h GLY 136 Ca -0.00 -0.19 -0.07 0.00 0.00 0.00 0.00 47.33 47.07 1h2o h GLY 136 CO 0.01 0.17 0.01 0.50 0.00 0.00 0.00 176.54 177.22 1h2o h LYS 137 N 0.20 0.78 -0.02 4.80 1.57 -1.11 -0.96 116.57 121.82 1h2o h LYS 137 Ca 0.03 -0.20 -0.21 0.00 -1.87 0.00 0.00 60.65 58.39 1h2o h LYS 137 Cb 0.60 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 1h2o h LYS 137 CO 0.04 0.78 -0.89 1.49 -0.57 0.00 0.00 179.45 180.31 1h2o h GLU 138 N 0.73 0.40 -0.03 3.15 4.81 -1.45 -2.60 114.58 119.58 1h2o h GLU 138 Ca 0.14 -0.40 -0.11 0.00 -0.13 0.00 0.00 59.36 58.86 1h2o h GLU 138 Cb 0.43 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1h2o h GLU 138 CO 0.02 1.07 -0.50 0.87 -0.73 0.00 0.00 179.01 179.74 1h2o h LYS 139 N 0.24 0.08 -0.07 1.92 1.57 -1.11 -2.35 116.57 116.84 1h2o h LYS 139 Ca -0.07 -0.04 -0.21 0.00 -1.87 0.00 0.00 60.65 58.46 1h2o h LYS 139 Cb 1.51 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.84 1h2o h LYS 139 CO 0.15 0.56 -0.79 0.00 -0.57 0.00 0.00 179.45 178.80 1h2o h ALA 140 N 1.43 0.19 -0.67 3.86 0.00 -1.14 -2.93 119.26 120.00 1h2o h ALA 140 Ca -0.00 -0.61 -0.07 0.00 0.00 0.00 0.00 54.91 54.23 1h2o h ALA 140 Cb 0.91 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1h2o h ALA 140 CO 0.07 0.58 0.14 0.66 0.00 0.00 0.00 179.25 180.70 1h2o h SER 141 N 0.32 1.02 -0.18 0.00 4.64 -1.39 -2.50 113.55 115.47 1h2o h SER 141 Ca -0.08 -0.22 -0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1h2o h SER 141 Cb 1.44 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 1h2o h SER 141 CO 0.16 0.99 0.11 0.78 -0.87 0.00 0.00 176.83 178.00 1h2o h ASN 142 N 1.01 0.22 -0.89 4.97 2.35 -1.45 -2.22 115.58 119.57 1h2o h ASN 142 Ca 0.21 -0.05 0.05 0.00 -0.55 0.00 0.00 56.30 55.96 1h2o h ASN 142 Cb 0.39 -0.05 -0.06 0.00 0.05 0.00 0.00 38.32 38.65 1h2o h ASN 142 CO 0.01 0.20 0.58 -0.07 -1.65 0.00 0.00 177.43 176.50 1h2o h LEU 143 N 0.21 0.91 -1.38 1.61 3.38 -1.35 -0.57 115.31 118.14 1h2o h LEU 143 Ca 0.06 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1h2o h LEU 143 Cb 0.02 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1h2o h LEU 143 CO -0.01 0.60 0.05 -0.26 0.09 0.00 0.00 178.44 178.91 1h2o h PHE 144 N 1.05 0.47 0.00 1.13 0.04 -0.97 -0.97 116.94 117.68 1h2o h PHE 144 Ca 0.37 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.11 1h2o h PHE 144 Cb 0.14 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1h2o h PHE 144 CO -0.00 0.43 0.00 0.87 -0.60 0.00 0.00 178.31 179.01 1h2o h LYS 145 N 0.45 0.00 0.13 1.51 1.57 -0.54 -2.25 116.57 117.44 1h2o h LYS 145 Ca 0.11 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.57 1h2o h LYS 145 Cb 0.22 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1h2o h LYS 145 CO 0.00 0.00 -1.62 -0.07 -0.57 0.00 0.00 179.45 177.19 1h2o h LEU 146 N 0.00 0.42 -0.21 2.94 3.38 -0.79 -2.95 115.31 118.11 1h2o h LEU 146 Ca 0.00 -0.63 -0.17 0.00 0.09 0.00 0.00 57.88 57.17 1h2o h LEU 146 Cb 0.56 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1h2o h LEU 146 CO 0.00 1.53 -0.55 0.40 0.09 0.00 0.00 178.44 179.91 1h2o h ILE 147 N 0.07 1.30 -0.74 1.22 2.04 -1.36 0.19 117.51 120.23 1h2o h ILE 147 Ca -0.28 -1.76 0.02 0.00 1.00 0.00 0.00 64.86 63.84 1h2o h ILE 147 Cb 2.04 1.85 -0.04 0.00 -0.74 0.00 0.00 36.82 39.93 1h2o h ILE 147 CO 0.16 0.56 0.47 -0.33 0.00 0.00 0.00 178.15 179.01 1h2o h GLU 148 N 0.46 0.91 0.00 2.37 5.08 -1.53 -0.69 114.58 121.19 1h2o h GLU 148 Ca -0.01 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.18 1h2o h GLU 148 Cb 1.16 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 1h2o h GLU 148 CO 0.12 0.61 -0.56 1.15 -1.00 0.00 0.00 179.01 179.32 1h2o h THR 149 N 0.94 1.20 0.18 1.13 2.02 -1.42 -2.11 112.91 114.85 1h2o h THR 149 Ca 0.29 -2.07 0.00 0.00 0.77 0.00 0.00 66.41 65.40 1h2o h THR 149 Cb -0.03 2.18 -0.03 0.00 -1.74 0.00 0.00 68.15 68.53 1h2o h THR 149 CO -0.09 0.55 -0.43 0.22 0.37 0.00 0.00 175.52 176.14 1h2o h TYR 150 N 0.00 -1.24 -0.00 3.16 3.20 0.95 0.93 116.97 123.97 1h2o h TYR 150 Ca -0.01 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.76 1h2o h TYR 150 Cb 1.14 0.52 -0.02 0.00 1.54 0.00 0.00 36.73 39.91 1h2o h TYR 150 CO 0.00 -0.51 -0.61 -0.07 -1.64 0.00 0.00 178.16 175.33 1h2o h LEU 151 N -0.67 0.01 -1.17 2.82 3.38 -1.56 1.66 115.31 119.78 1h2o h LEU 151 Ca -0.02 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1h2o h LEU 151 Cb 0.65 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1h2o h LEU 151 CO -0.19 0.62 -0.12 0.50 0.09 0.00 0.00 178.44 179.34 1h2o h LYS 152 N 0.01 0.43 0.00 1.13 3.64 -0.77 -3.11 116.57 117.90 1h2o h LYS 152 Ca -0.01 -0.12 -0.36 0.00 -1.27 0.00 0.00 60.65 58.89 1h2o h LYS 152 Cb 1.09 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.79 1h2o h LYS 152 CO 0.08 0.56 -2.33 0.41 -2.27 0.00 0.00 179.45 175.90 1h2o n GLY 153 N -0.70 -0.95 3.19 5.01 0.00 0.32 -4.69 105.19 107.37 1h2o n GLY 153 Ca 0.00 -0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.50 3.69 -2.00 1.61 3.76 0.56 -4.88 115.29 115.54 1h2o s HIS 154 Ca -0.11 -2.57 0.14 0.00 -0.15 0.00 0.00 55.06 52.37 1h2o s HIS 154 Cb 0.06 -3.45 0.85 0.00 1.11 0.00 0.00 32.58 31.16 1h2o s HIS 154 CO 0.81 -0.87 1.30 -0.35 -0.85 0.00 0.00 174.74 174.78 1h2o n PRO 155 N 3.30 0.60 -0.00 8.40 -0.04 -1.23 -2.42 135.00 143.62 1h2o n PRO 155 Ca 0.14 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.66 1h2o n PRO 155 Cb 0.40 -1.37 -0.08 0.00 -0.04 0.00 0.00 33.50 32.42 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 -0.87 0.97 -4.55 3.54 8.00 -1.26 -4.43 116.55 117.95 1h2o n ASP 156 Ca 0.11 -0.59 -0.38 0.00 0.71 0.00 0.00 54.79 54.64 1h2o n ASP 156 Cb 0.05 1.15 -0.03 0.00 -0.02 0.00 0.00 41.12 42.27 1h2o n ASP 156 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h2o s ALA 157 N -2.36 2.12 -0.33 2.24 0.00 -1.02 -3.78 121.76 118.63 1h2o s ALA 157 Ca 0.02 -0.64 -0.04 0.00 0.00 0.00 0.00 51.96 51.30 1h2o s ALA 157 Cb 0.09 -4.32 0.04 0.00 0.00 0.00 0.00 23.12 18.94 1h2o s ALA 157 CO 0.52 -3.97 0.10 2.48 0.00 0.00 0.00 175.76 174.90 1h2o n TYR 158 N 13.00 -1.33 -0.77 0.00 0.18 -1.26 -4.94 117.16 122.03 1h2o n TYR 158 Ca 0.22 0.12 0.00 0.00 1.88 0.00 0.00 57.90 60.12 1h2o n TYR 158 Cb 0.52 -0.89 0.00 0.00 -0.38 0.00 0.00 39.34 38.59 1h2o n TYR 158 CO 0.00 0.00 0.00 -1.71 -2.08 0.00 0.00 176.86 173.07