#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 1.60 0.00 1.61 1.01 -1.26 -2.98 120.40 120.38 1h2o s VAL 2 Ca 0.00 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.10 1h2o s VAL 2 Cb 0.00 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 1h2o s VAL 2 CO 0.00 0.45 0.22 -0.36 0.00 0.00 0.00 175.10 175.42 1h2o s PHE 3 N -0.26 3.56 -0.12 5.22 0.40 -1.14 -4.87 117.98 120.78 1h2o s PHE 3 Ca 0.02 0.45 0.03 0.00 -0.60 0.00 0.00 56.93 56.83 1h2o s PHE 3 Cb -0.10 -1.90 0.01 0.00 0.51 0.00 0.00 43.02 41.54 1h2o s PHE 3 CO 0.01 0.63 -0.22 0.99 0.70 0.00 0.00 175.22 177.33 1h2o s THR 4 N -1.33 1.96 -0.02 0.64 2.01 -1.26 -2.14 115.64 115.51 1h2o s THR 4 Ca 0.28 -0.94 0.00 0.00 0.31 0.00 0.00 61.69 61.34 1h2o s THR 4 Cb -0.13 -1.72 0.03 0.00 0.01 0.00 0.00 72.50 70.68 1h2o s THR 4 CO 0.18 0.54 0.03 -0.31 -0.69 0.00 0.00 174.62 174.36 1h2o s TYR 5 N 0.61 0.04 0.09 4.92 2.02 -0.68 -5.02 117.35 119.32 1h2o s TYR 5 Ca -0.13 0.11 0.04 0.00 -0.37 0.00 0.00 57.07 56.73 1h2o s TYR 5 Cb -0.17 -0.22 -0.03 0.00 -0.40 0.00 0.00 41.96 41.14 1h2o s TYR 5 CO 0.03 -0.08 -0.12 -1.83 -1.57 0.00 0.00 175.55 171.98 1h2o s GLU 6 N 0.95 0.86 0.02 -0.62 -1.05 -1.26 -0.28 118.70 117.31 1h2o s GLU 6 Ca -0.08 -1.09 0.04 0.00 -0.15 0.00 0.00 54.97 53.69 1h2o s GLU 6 Cb -0.11 -0.68 -0.02 0.00 -0.44 0.00 0.00 34.13 32.88 1h2o s GLU 6 CO -0.03 0.13 -0.11 -1.12 0.95 0.00 0.00 175.26 175.08 1h2o s SER 7 N -2.19 1.28 -0.06 0.83 0.01 0.44 -4.95 113.70 109.06 1h2o s SER 7 Ca 0.03 -0.37 -0.01 0.00 1.31 0.00 0.00 55.95 56.91 1h2o s SER 7 Cb -0.06 -0.08 0.03 0.00 0.21 0.00 0.00 66.02 66.12 1h2o s SER 7 CO 0.01 0.01 -0.00 -1.61 0.41 0.00 0.00 173.24 172.06 1h2o s GLU 8 N -0.91 0.61 0.25 12.44 2.02 -1.26 0.39 118.70 132.24 1h2o s GLU 8 Ca -0.00 0.08 -0.00 0.00 0.02 0.00 0.00 54.97 55.07 1h2o s GLU 8 Cb -0.07 -0.91 0.00 0.00 0.10 0.00 0.00 34.13 33.25 1h2o s GLU 8 CO 0.01 -0.26 0.33 1.97 0.02 0.00 0.00 175.26 177.33 1h2o n PHE 9 N 4.93 -1.08 -4.16 1.61 -1.74 -0.35 -4.98 117.46 111.68 1h2o n PHE 9 Ca -0.11 -1.77 -0.12 0.00 -0.56 0.00 0.00 57.45 54.89 1h2o n PHE 9 Cb 0.50 0.37 -0.09 0.00 1.52 0.00 0.00 39.48 41.78 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 -2.76 0.00 0.09 1.97 -4.23 -1.26 0.15 115.64 109.60 1h2o s THR 10 Ca 0.23 -1.87 -0.19 0.00 -1.18 0.00 0.00 61.69 58.67 1h2o s THR 10 Cb -0.00 -2.44 0.04 0.00 1.34 0.00 0.00 72.50 71.44 1h2o s THR 10 CO 0.16 0.00 0.46 -0.55 -0.54 0.00 0.00 174.62 174.15 1h2o s SER 11 N -3.14 -0.34 0.09 3.99 0.15 0.49 -4.91 113.70 110.04 1h2o s SER 11 Ca 0.36 -0.08 -0.10 0.00 0.70 0.00 0.00 55.95 56.82 1h2o s SER 11 Cb 0.05 0.48 -0.18 0.00 -1.71 0.00 0.00 66.02 64.66 1h2o s SER 11 CO 0.12 -0.79 1.23 -0.33 1.20 0.00 0.00 173.24 174.66 1h2o h GLU 12 N 2.57 0.59 -7.02 5.44 5.08 -1.93 1.19 114.58 120.49 1h2o h GLU 12 Ca -0.33 -0.64 -0.56 0.00 -1.00 0.00 0.00 59.36 56.83 1h2o h GLU 12 Cb 1.24 0.19 0.16 0.00 0.50 0.00 0.00 28.75 30.84 1h2o h GLU 12 CO 0.44 1.25 0.38 -0.89 -1.00 0.00 0.00 179.01 179.19 1h2o n ILE 13 N -3.81 4.58 -2.07 3.13 -0.00 -1.26 -4.39 119.36 115.54 1h2o n ILE 13 Ca -0.10 -0.50 -0.38 0.00 -0.00 0.00 0.00 62.75 61.77 1h2o n ILE 13 Cb 0.87 -1.38 0.00 0.00 -0.00 0.00 0.00 39.64 39.14 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 -3.19 3.72 0.25 0.38 0.04 -1.26 -4.03 135.00 130.91 1h2o s PRO 14 Ca 0.81 2.04 0.07 0.00 0.04 0.00 0.00 61.00 63.96 1h2o s PRO 14 Cb -0.39 -2.53 0.28 0.00 0.04 0.00 0.00 34.50 31.90 1h2o s PRO 14 CO 0.42 -0.66 1.57 -1.00 0.04 0.00 0.00 177.00 177.38 1h2o h PRO 15 N 2.21 0.12 0.00 0.56 0.13 -1.91 -2.63 132.00 130.47 1h2o h PRO 15 Ca -0.50 -0.09 -0.02 0.00 -0.87 0.00 0.00 66.00 64.52 1h2o h PRO 15 Cb 1.26 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 1h2o h PRO 15 CO 0.61 0.71 -0.12 -1.00 -0.23 0.00 0.00 178.00 177.97 1h2o h PRO 16 N 0.09 0.00 0.06 1.56 0.13 -1.95 0.15 132.00 132.04 1h2o h PRO 16 Ca -0.01 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.00 1h2o h PRO 16 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1h2o h PRO 16 CO 0.09 0.12 -0.57 -0.09 -0.23 0.00 0.00 178.00 177.32 1h2o h ARG 17 N 0.00 0.12 0.00 0.86 2.43 -1.86 -2.82 114.38 113.12 1h2o h ARG 17 Ca -0.00 -0.21 -0.04 0.00 -0.81 0.00 0.00 59.98 58.92 1h2o h ARG 17 Cb 0.68 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 1h2o h ARG 17 CO 0.02 1.10 -0.20 1.25 -1.51 0.00 0.00 179.97 180.63 1h2o h LEU 18 N -0.72 0.00 0.04 3.80 6.46 -1.41 -2.60 115.31 120.89 1h2o h LEU 18 Ca -0.12 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.64 1h2o h LEU 18 Cb 1.32 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.26 1h2o h LEU 18 CO 0.03 0.20 -0.02 0.15 -0.62 0.00 0.00 178.44 178.17 1h2o h PHE 19 N 0.00 -0.06 -0.46 1.25 3.57 -1.00 0.11 116.94 120.34 1h2o h PHE 19 Ca -0.00 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.54 1h2o h PHE 19 Cb 0.46 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.20 1h2o h PHE 19 CO 0.00 0.33 0.31 0.87 -2.23 0.00 0.00 178.31 177.59 1h2o h LYS 20 N -0.45 0.45 0.00 1.11 1.57 -1.25 0.19 116.57 118.18 1h2o h LYS 20 Ca -0.01 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.62 1h2o h LYS 20 Cb 0.41 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1h2o h LYS 20 CO 0.01 0.30 -0.63 0.00 -0.57 0.00 0.00 179.45 178.56 1h2o h ALA 21 N 1.74 0.60 0.05 3.86 0.00 -1.28 0.26 119.26 124.49 1h2o h ALA 21 Ca 0.19 -0.57 -0.23 0.00 0.00 0.00 0.00 54.91 54.31 1h2o h ALA 21 Cb 0.20 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1h2o h ALA 21 CO -0.05 0.78 -1.22 0.35 0.00 0.00 0.00 179.25 179.11 1h2o h PHE 22 N 0.00 0.21 0.00 0.00 3.57 0.59 -3.19 116.94 118.11 1h2o h PHE 22 Ca -0.01 -0.15 -0.23 0.00 3.53 0.00 0.00 57.97 61.11 1h2o h PHE 22 Cb 1.48 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 40.18 1h2o h PHE 22 CO 0.00 1.48 -1.72 0.28 -2.23 0.00 0.00 178.31 176.12 1h2o n VAL 23 N -4.18 1.51 0.56 1.41 0.31 0.53 -2.25 118.33 116.23 1h2o n VAL 23 Ca -0.27 -0.11 0.06 0.00 -0.01 0.00 0.00 64.34 64.01 1h2o n VAL 23 Cb 0.77 -2.11 0.30 0.00 -0.91 0.00 0.00 33.84 31.89 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 -4.37 0.00 -0.39 7.52 4.32 -0.95 -2.90 117.00 120.24 1h2o n LEU 24 Ca -0.34 0.28 0.00 0.00 -0.02 0.00 0.00 56.01 55.93 1h2o n LEU 24 Cb 0.69 -0.28 0.00 0.00 -1.62 0.00 0.00 43.42 42.21 1h2o n LEU 24 CO 0.12 -0.17 0.24 0.47 -1.22 0.00 0.00 177.39 176.83 1h2o n ASP 25 N -1.28 0.00 0.27 -1.43 8.00 0.04 -4.86 116.55 117.29 1h2o n ASP 25 Ca 0.06 -1.61 0.18 0.00 0.71 0.00 0.00 54.79 54.13 1h2o n ASP 25 Cb 0.09 -0.12 0.93 0.00 -0.02 0.00 0.00 41.12 42.00 1h2o n ASP 25 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h2o h ALA 26 N 0.00 1.50 0.00 2.24 0.00 -1.31 0.73 119.26 122.42 1h2o h ALA 26 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1h2o h ALA 26 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1h2o h ALA 26 CO 0.00 -0.22 0.00 -0.25 0.00 0.00 0.00 179.25 178.78 1h2o n ASP 27 N -3.45 0.74 0.00 0.00 8.00 -1.26 -3.65 116.55 116.92 1h2o n ASP 27 Ca -0.00 0.57 0.00 0.00 0.71 0.00 0.00 54.79 56.07 1h2o n ASP 27 Cb 0.26 -0.77 0.00 0.00 -0.02 0.00 0.00 41.12 40.59 1h2o n ASP 27 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1h2o n ASN 28 N -2.19 0.73 -0.10 -2.24 3.02 0.97 -4.44 115.26 111.00 1h2o n ASN 28 Ca 0.06 -1.35 -0.16 0.00 -0.03 0.00 0.00 54.58 53.09 1h2o n ASN 28 Cb 0.41 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.50 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 -0.17 2.43 -0.00 3.41 -0.00 0.22 -4.28 117.00 118.60 1h2o n LEU 29 Ca 0.00 0.02 -0.18 0.00 -0.00 0.00 0.00 56.01 55.86 1h2o n LEU 29 Cb 0.38 -0.64 -0.09 0.00 -0.00 0.00 0.00 43.42 43.07 1h2o n LEU 29 CO 0.00 0.68 0.24 0.58 -0.00 0.00 0.00 177.39 178.89 1h2o h VAL 30 N -0.27 1.32 0.00 1.96 2.07 -1.77 -1.75 116.25 117.81 1h2o h VAL 30 Ca -0.46 -2.02 0.00 0.00 0.82 0.00 0.00 66.70 65.04 1h2o h VAL 30 Cb 1.59 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 33.57 1h2o h VAL 30 CO -0.16 0.62 0.00 -0.81 0.02 0.00 0.00 177.57 177.25 1h2o n PRO 31 N -4.02 0.89 0.00 1.57 -0.04 -1.26 -2.36 135.00 129.77 1h2o n PRO 31 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1h2o n PRO 31 Cb 0.74 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 33.17 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 1.54 0.06 0.54 5.02 -1.16 -4.65 118.16 119.04 1h2o n LYS 32 Ca 0.00 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.09 1h2o n LYS 32 Cb 0.02 -0.88 -0.15 0.00 -0.02 0.00 0.00 35.03 34.00 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 1.49 -2.86 -0.18 2.04 -1.34 -3.42 117.51 113.23 1h2o h ILE 33 Ca 0.00 -2.55 -0.57 0.00 1.00 0.00 0.00 64.86 62.73 1h2o h ILE 33 Cb 0.76 3.19 -0.40 0.00 -0.74 0.00 0.00 36.82 39.63 1h2o h ILE 33 CO 0.00 0.73 -0.79 0.00 0.00 0.00 0.00 178.15 178.09 1h2o s ALA 34 N -2.44 1.25 -1.96 1.87 0.00 -1.00 -4.95 121.76 114.53 1h2o s ALA 34 Ca -0.13 -1.76 0.21 0.00 0.00 0.00 0.00 51.96 50.27 1h2o s ALA 34 Cb 0.01 -1.61 1.24 0.00 0.00 0.00 0.00 23.12 22.76 1h2o s ALA 34 CO 0.84 -1.87 1.64 -0.35 0.00 0.00 0.00 175.76 176.02 1h2o n PRO 35 N 4.46 0.63 0.01 0.00 -0.04 -1.26 -2.73 135.00 136.07 1h2o n PRO 35 Ca 0.03 0.01 -0.03 0.00 -0.04 0.00 0.00 63.50 63.47 1h2o n PRO 35 Cb 0.39 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.24 1h2o n PRO 35 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1h2o n GLN 36 N -1.02 0.63 -0.07 0.54 6.02 -1.26 -4.36 117.38 117.86 1h2o n GLN 36 Ca 0.15 0.25 -0.21 0.00 -0.01 0.00 0.00 57.00 57.18 1h2o n GLN 36 Cb 0.08 -1.80 -0.12 0.00 1.02 0.00 0.00 30.24 29.42 1h2o n GLN 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1h2o h ALA 37 N 1.26 0.22 -3.41 -1.58 0.00 -1.86 -3.39 119.26 110.49 1h2o h ALA 37 Ca -0.22 -1.09 -0.57 0.00 0.00 0.00 0.00 54.91 53.03 1h2o h ALA 37 Cb 1.76 0.57 -0.33 0.00 0.00 0.00 0.00 17.79 19.78 1h2o h ALA 37 CO 0.06 0.67 -0.84 0.42 0.00 0.00 0.00 179.25 179.56 1h2o s ILE 38 N -2.38 1.46 -0.10 0.00 1.09 -1.20 -4.42 121.20 115.65 1h2o s ILE 38 Ca -0.25 -0.67 0.15 0.00 -1.10 0.00 0.00 60.65 58.78 1h2o s ILE 38 Cb 0.04 -1.30 -0.15 0.00 -1.06 0.00 0.00 42.46 40.00 1h2o s ILE 38 CO 0.66 0.43 0.84 0.50 -0.10 0.00 0.00 174.94 177.26 1h2o h LYS 39 N 6.85 0.00 -1.40 2.79 3.64 0.19 -3.40 116.57 125.24 1h2o h LYS 39 Ca -0.27 0.00 0.13 0.00 -1.27 0.00 0.00 60.65 59.25 1h2o h LYS 39 Cb 1.20 0.00 -0.24 0.00 -0.41 0.00 0.00 32.23 32.78 1h2o h LYS 39 CO 0.47 0.38 0.68 -1.58 -2.27 0.00 0.00 179.45 177.13 1h2o s HIS 40 N -2.83 -0.26 -0.10 1.91 5.04 -1.23 -4.96 115.29 112.86 1h2o s HIS 40 Ca -0.03 0.44 0.01 0.00 -1.54 0.00 0.00 55.06 53.94 1h2o s HIS 40 Cb 0.08 0.46 0.02 0.00 0.04 0.00 0.00 32.58 33.19 1h2o s HIS 40 CO 0.81 -0.24 -0.10 -1.12 -2.34 0.00 0.00 174.74 171.75 1h2o s SER 41 N -1.09 2.12 -0.18 9.88 0.01 -1.26 -0.20 113.70 122.98 1h2o s SER 41 Ca 0.02 -0.33 -0.02 0.00 1.31 0.00 0.00 55.95 56.93 1h2o s SER 41 Cb -0.01 -0.88 0.05 0.00 0.21 0.00 0.00 66.02 65.40 1h2o s SER 41 CO -0.02 -0.06 0.02 -0.70 0.41 0.00 0.00 173.24 172.90 1h2o s GLU 42 N 1.33 0.72 0.42 12.44 2.12 -1.19 -4.87 118.70 129.68 1h2o s GLU 42 Ca -0.02 -0.38 -0.24 0.00 0.36 0.00 0.00 54.97 54.69 1h2o s GLU 42 Cb -0.14 -1.98 -0.10 0.00 0.26 0.00 0.00 34.13 32.17 1h2o s GLU 42 CO -0.05 -0.59 1.07 -0.89 -0.54 0.00 0.00 175.26 174.26 1h2o n ILE 43 N 5.04 2.51 0.00 -3.70 5.41 -1.26 -2.12 119.36 125.24 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 -1.24 0.00 0.00 -0.71 0.00 0.00 39.64 38.16 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 0.41 0.00 -4.44 1.39 7.94 0.69 -4.82 117.00 118.18 1h2o n LEU 44 Ca 0.09 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.77 1h2o n LEU 44 Cb 0.39 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 44.24 1h2o n LEU 44 CO 0.57 0.00 -0.41 0.26 -1.11 0.00 0.00 177.39 176.70 1h2o s TRP 45 N -1.95 2.03 0.00 1.96 0.52 -0.94 -4.82 118.94 115.74 1h2o s TRP 45 Ca 0.00 -0.57 0.00 0.00 0.02 0.00 0.00 56.10 55.55 1h2o s TRP 45 Cb 0.00 -1.06 0.00 0.00 -1.15 0.00 0.00 33.47 31.26 1h2o s TRP 45 CO 0.00 0.43 0.00 0.41 0.02 0.00 0.00 176.95 177.81 1h2o n GLY 46 N -0.58 1.97 0.70 0.98 0.00 -1.26 -3.10 105.19 103.90 1h2o n GLY 46 Ca -0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.31 -0.08 0.00 1.61 9.92 -1.26 -4.95 116.55 121.49 1h2o n ASP 47 Ca 0.00 -1.55 0.00 0.00 -0.53 0.00 0.00 54.79 52.71 1h2o n ASP 47 Cb 0.00 -0.03 0.00 0.00 -0.64 0.00 0.00 41.12 40.45 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 0.05 2.20 0.00 0.44 0.00 -1.26 -5.10 105.19 101.52 1h2o n GLY 48 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.88 3.70 -0.02 0.00 -1.26 -4.86 105.19 100.87 1h2o n GLY 49 Ca 0.00 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.95 4.35 0.00 1.61 0.04 -1.26 -2.55 135.00 134.25 1h2o s PRO 50 Ca 0.00 1.89 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1h2o s PRO 50 Cb 0.00 -3.41 0.00 0.00 0.04 0.00 0.00 34.50 31.13 1h2o s PRO 50 CO 0.00 -0.41 0.00 0.41 0.04 0.00 0.00 177.00 177.04 1h2o n GLY 51 N 3.42 1.66 3.78 0.56 0.00 -0.50 -4.97 105.19 109.14 1h2o n GLY 51 Ca 0.11 0.00 -0.31 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 -2.33 3.53 -0.10 2.61 2.01 -1.06 -4.53 115.64 115.77 1h2o s THR 52 Ca 0.00 0.50 -0.01 0.00 0.31 0.00 0.00 61.69 62.49 1h2o s THR 52 Cb 0.00 -3.08 0.03 0.00 0.01 0.00 0.00 72.50 69.46 1h2o s THR 52 CO 0.00 -0.65 -0.03 -0.63 -0.69 0.00 0.00 174.62 172.62 1h2o s ILE 53 N -2.96 0.71 -0.23 1.82 1.01 -1.18 0.66 121.20 121.02 1h2o s ILE 53 Ca 0.60 -0.13 -0.09 0.00 0.00 0.00 0.00 60.65 61.04 1h2o s ILE 53 Cb -0.16 -0.82 -0.04 0.00 0.01 0.00 0.00 42.46 41.45 1h2o s ILE 53 CO 0.56 0.28 0.11 -0.54 0.00 0.00 0.00 174.94 175.35 1h2o s LYS 54 N 1.83 3.93 -0.79 2.79 1.02 0.25 0.25 119.74 129.02 1h2o s LYS 54 Ca 0.05 -0.35 -0.19 0.00 0.02 0.00 0.00 55.97 55.50 1h2o s LYS 54 Cb -0.13 -3.40 0.13 0.00 -0.52 0.00 0.00 37.83 33.91 1h2o s LYS 54 CO -0.07 0.04 0.94 0.21 -0.92 0.00 0.00 175.35 175.55 1h2o s LYS 55 N 1.06 3.39 0.32 1.68 2.20 -0.90 -0.38 119.74 127.11 1h2o s LYS 55 Ca 0.06 -1.64 -0.26 0.00 -0.36 0.00 0.00 55.97 53.77 1h2o s LYS 55 Cb -0.14 -4.58 -0.10 0.00 -1.51 0.00 0.00 37.83 31.50 1h2o s LYS 55 CO 0.04 -1.64 0.94 0.42 -0.36 0.00 0.00 175.35 174.74 1h2o s ILE 56 N 2.47 4.21 0.17 5.43 1.01 -0.14 -3.14 121.20 131.22 1h2o s ILE 56 Ca 0.24 1.82 0.09 0.00 0.00 0.00 0.00 60.65 62.80 1h2o s ILE 56 Cb -0.12 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.29 1h2o s ILE 56 CO -0.03 0.15 -0.12 0.42 0.00 0.00 0.00 174.94 175.37 1h2o s THR 57 N -1.60 3.08 -0.06 2.92 -4.23 0.72 0.18 115.64 116.64 1h2o s THR 57 Ca 0.50 -1.67 0.03 0.00 -1.18 0.00 0.00 61.69 59.37 1h2o s THR 57 Cb -0.19 -2.51 -0.02 0.00 1.34 0.00 0.00 72.50 71.12 1h2o s THR 57 CO 0.24 -0.09 -0.15 -0.36 -0.54 0.00 0.00 174.62 173.72 1h2o s PHE 58 N -1.65 2.70 -0.31 3.99 0.08 0.84 0.19 117.98 123.83 1h2o s PHE 58 Ca 0.24 -0.28 0.03 0.00 0.12 0.00 0.00 56.93 57.04 1h2o s PHE 58 Cb -0.09 -1.67 0.44 0.00 -0.57 0.00 0.00 43.02 41.14 1h2o s PHE 58 CO 0.14 0.09 1.57 0.41 -0.10 0.00 0.00 175.22 177.33 1h2o n GLY 59 N 2.57 3.53 0.52 4.36 0.00 -1.26 -4.24 105.19 110.67 1h2o n GLY 59 Ca -0.17 -0.70 0.33 0.00 0.00 0.00 0.00 46.02 45.48 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 0.78 0.00 0.00 1.61 5.08 -1.89 -3.47 114.58 116.69 1h2o h GLU 60 Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 1h2o h GLU 60 Cb 2.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.41 1h2o h GLU 60 CO 0.69 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 179.11 1h2o n GLY 61 N -1.74 0.28 3.56 -3.84 0.00 -1.26 -5.05 105.19 97.14 1h2o n GLY 61 Ca 0.24 -1.23 -0.29 0.00 0.00 0.00 0.00 46.02 44.73 1h2o n GLY 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h2o s SER 62 N -4.00 1.65 -0.16 1.61 1.04 -1.26 -4.48 113.70 108.10 1h2o s SER 62 Ca 0.00 1.82 -0.07 0.00 0.48 0.00 0.00 55.95 58.18 1h2o s SER 62 Cb 0.00 -2.44 0.03 0.00 0.10 0.00 0.00 66.02 63.71 1h2o s SER 62 CO 0.00 -3.83 0.14 0.00 0.98 0.00 0.00 173.24 170.53 1h2o n GLN 63 N -4.69 -3.45 -1.47 4.02 6.02 -1.26 -4.76 117.38 111.78 1h2o n GLN 63 Ca 0.07 2.72 -0.46 0.00 -0.01 0.00 0.00 57.00 59.32 1h2o n GLN 63 Cb 0.53 -3.99 -0.02 0.00 1.02 0.00 0.00 30.24 27.78 1h2o n GLN 63 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 1h2o n TYR 64 N 1.68 0.07 -3.68 1.08 4.19 -1.26 -4.93 117.16 114.30 1h2o n TYR 64 Ca -0.24 0.83 -0.23 0.00 3.31 0.00 0.00 57.90 61.57 1h2o n TYR 64 Cb 0.40 -2.06 -0.18 0.00 0.49 0.00 0.00 39.34 38.00 1h2o n TYR 64 CO 0.00 0.00 0.00 0.20 0.91 0.00 0.00 176.86 177.97 1h2o s GLY 65 N -0.84 0.33 0.32 2.98 0.00 -1.26 -5.05 107.32 103.80 1h2o s GLY 65 Ca 0.62 -0.07 -0.14 0.00 0.00 0.00 0.00 44.72 45.13 1h2o s GLY 65 CO 0.58 1.44 0.66 -2.52 0.00 0.00 0.00 173.10 173.25 1h2o s TYR 66 N 2.10 0.23 0.28 1.90 -0.85 -1.26 0.29 117.35 120.05 1h2o s TYR 66 Ca 0.04 -0.71 -0.01 0.00 -0.52 0.00 0.00 57.07 55.86 1h2o s TYR 66 Cb -0.14 0.52 -0.02 0.00 0.38 0.00 0.00 41.96 42.71 1h2o s TYR 66 CO -0.05 -1.29 0.32 0.14 -1.52 0.00 0.00 175.55 173.15 1h2o s VAL 67 N -3.23 0.00 -0.26 -3.49 -7.23 0.13 -4.17 120.40 102.15 1h2o s VAL 67 Ca 0.18 -1.79 -0.01 0.00 -1.81 0.00 0.00 61.98 58.55 1h2o s VAL 67 Cb -0.04 -2.50 0.08 0.00 0.56 0.00 0.00 36.38 34.49 1h2o s VAL 67 CO 0.11 0.00 0.06 -0.54 -0.31 0.00 0.00 175.10 174.42 1h2o s LYS 68 N -3.62 0.79 -0.20 4.82 1.02 -1.25 -0.96 119.74 120.34 1h2o s LYS 68 Ca 0.34 -0.85 -0.15 0.00 0.02 0.00 0.00 55.97 55.34 1h2o s LYS 68 Cb 0.02 -2.08 -0.04 0.00 -0.52 0.00 0.00 37.83 35.21 1h2o s LYS 68 CO 0.18 -0.83 0.34 -1.01 -0.92 0.00 0.00 175.35 173.11 1h2o s HIS 69 N 1.68 3.38 -0.43 3.18 3.76 0.49 -2.45 115.29 124.89 1h2o s HIS 69 Ca 0.05 0.55 -0.16 0.00 -0.15 0.00 0.00 55.06 55.34 1h2o s HIS 69 Cb -0.17 -2.45 0.03 0.00 1.11 0.00 0.00 32.58 31.10 1h2o s HIS 69 CO -0.18 0.05 0.39 0.21 -0.85 0.00 0.00 174.74 174.36 1h2o s LYS 70 N 1.12 3.02 0.22 1.40 2.20 0.47 0.84 119.74 129.01 1h2o s LYS 70 Ca 0.17 -0.99 -0.28 0.00 -0.36 0.00 0.00 55.97 54.50 1h2o s LYS 70 Cb -0.14 -4.02 -0.16 0.00 -1.51 0.00 0.00 37.83 32.00 1h2o s LYS 70 CO 0.07 -0.88 0.65 -0.89 -0.36 0.00 0.00 175.35 173.94 1h2o n ILE 71 N 5.30 1.96 -0.02 5.43 2.08 0.21 0.48 119.36 134.79 1h2o n ILE 71 Ca -0.10 -0.49 -0.03 0.00 0.56 0.00 0.00 62.75 62.69 1h2o n ILE 71 Cb 0.46 -0.24 -0.02 0.00 -0.75 0.00 0.00 39.64 39.09 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 1.81 3.25 -3.53 4.38 2.03 0.23 -1.41 116.55 123.31 1h2o n ASP 72 Ca 0.16 -0.01 -0.08 0.00 0.52 0.00 0.00 54.79 55.38 1h2o n ASP 72 Cb 0.26 -0.08 -0.02 0.00 -0.72 0.00 0.00 41.12 40.56 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 -4.56 -0.32 0.04 1.67 0.01 0.27 -4.75 113.70 106.07 1h2o s SER 73 Ca -0.06 0.05 -0.13 0.00 1.31 0.00 0.00 55.95 57.12 1h2o s SER 73 Cb 0.02 0.33 0.02 0.00 0.21 0.00 0.00 66.02 66.59 1h2o s SER 73 CO 0.10 -0.51 0.27 -0.63 0.41 0.00 0.00 173.24 172.88 1h2o s ILE 74 N -2.76 0.09 -0.49 1.44 1.09 -1.26 -0.77 121.20 118.53 1h2o s ILE 74 Ca 0.05 -0.72 0.05 0.00 -1.10 0.00 0.00 60.65 58.93 1h2o s ILE 74 Cb -0.01 -0.89 0.19 0.00 -1.06 0.00 0.00 42.46 40.69 1h2o s ILE 74 CO -0.07 -0.40 0.43 0.47 -0.10 0.00 0.00 174.94 175.28 1h2o n ASP 75 N 0.69 0.73 0.19 3.58 8.00 0.50 -4.93 116.55 125.31 1h2o n ASP 75 Ca -0.19 -2.69 0.13 0.00 0.71 0.00 0.00 54.79 52.75 1h2o n ASP 75 Cb 0.59 -0.62 0.67 0.00 -0.02 0.00 0.00 41.12 41.74 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 5.22 0.00 0.00 -1.24 3.64 -1.96 2.24 116.57 124.49 1h2o h LYS 76 Ca 0.21 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.27 1h2o h LYS 76 Cb 0.85 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.62 1h2o h LYS 76 CO 0.50 0.00 -1.91 0.39 -2.27 0.00 0.00 179.45 176.16 1h2o n GLU 77 N -2.40 0.65 0.00 1.90 1.02 -1.26 -4.23 120.64 116.33 1h2o n GLU 77 Ca -0.01 0.21 0.08 0.00 -0.02 0.00 0.00 57.16 57.42 1h2o n GLU 77 Cb 0.07 -1.71 -0.08 0.00 -0.02 0.00 0.00 31.44 29.70 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 -2.99 0.90 -2.22 1.62 3.02 -0.52 -5.00 115.26 110.07 1h2o n ASN 78 Ca -0.22 -0.95 -0.08 0.00 -0.03 0.00 0.00 54.58 53.30 1h2o n ASN 78 Cb 1.08 0.91 0.04 0.00 -0.61 0.00 0.00 39.78 41.21 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 -1.17 -1.10 -4.35 3.10 4.01 0.75 -4.29 117.16 114.11 1h2o n TYR 79 Ca 0.04 0.46 -0.24 0.00 -0.16 0.00 0.00 57.90 57.99 1h2o n TYR 79 Cb 0.26 -3.50 -0.13 0.00 -0.31 0.00 0.00 39.34 35.67 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 -3.61 2.50 -0.00 7.72 0.01 -0.93 -0.65 113.70 118.73 1h2o s SER 80 Ca 0.03 -0.65 0.00 0.00 1.31 0.00 0.00 55.95 56.64 1h2o s SER 80 Cb -0.00 -0.15 -0.00 0.00 0.21 0.00 0.00 66.02 66.08 1h2o s SER 80 CO 0.36 0.07 -0.01 -0.47 0.41 0.00 0.00 173.24 173.60 1h2o s TYR 81 N -1.09 0.13 -0.15 2.43 5.04 0.30 -0.37 117.35 123.64 1h2o s TYR 81 Ca 0.06 -0.02 -0.06 0.00 -2.44 0.00 0.00 57.07 54.61 1h2o s TYR 81 Cb -0.10 -0.09 0.07 0.00 0.35 0.00 0.00 41.96 42.20 1h2o s TYR 81 CO 0.04 -0.00 0.31 -1.12 -1.34 0.00 0.00 175.55 173.44 1h2o s SER 82 N -0.03 0.09 0.36 4.32 0.01 0.05 0.27 113.70 118.77 1h2o s SER 82 Ca 0.01 0.71 0.04 0.00 1.31 0.00 0.00 55.95 58.01 1h2o s SER 82 Cb -0.01 0.86 -0.04 0.00 0.21 0.00 0.00 66.02 67.04 1h2o s SER 82 CO -0.00 -0.23 0.12 -0.72 0.41 0.00 0.00 173.24 172.82 1h2o s TYR 83 N 2.32 1.76 -0.09 2.43 1.13 0.62 0.98 117.35 126.50 1h2o s TYR 83 Ca -0.01 -1.24 0.01 0.00 -1.41 0.00 0.00 57.07 54.42 1h2o s TYR 83 Cb -0.12 -1.09 0.02 0.00 -1.10 0.00 0.00 41.96 39.67 1h2o s TYR 83 CO -0.10 -0.30 -0.12 0.99 -2.51 0.00 0.00 175.55 173.51 1h2o s THR 84 N -3.36 1.22 -0.12 -3.49 2.01 0.18 0.38 115.64 112.46 1h2o s THR 84 Ca 0.30 -0.48 -0.11 0.00 0.31 0.00 0.00 61.69 61.71 1h2o s THR 84 Cb 0.05 -1.15 -0.05 0.00 0.01 0.00 0.00 72.50 71.36 1h2o s THR 84 CO 0.16 0.39 0.24 -0.22 -0.69 0.00 0.00 174.62 174.49 1h2o s LEU 85 N 1.03 4.34 -0.04 4.42 2.96 -0.14 0.18 118.68 131.41 1h2o s LEU 85 Ca -0.07 0.54 0.03 0.00 -0.22 0.00 0.00 54.13 54.41 1h2o s LEU 85 Cb -0.15 -2.26 -0.05 0.00 0.50 0.00 0.00 46.19 44.23 1h2o s LEU 85 CO -0.01 0.27 0.01 2.30 -1.32 0.00 0.00 176.35 177.59 1h2o n ILE 86 N 2.66 0.29 -3.87 6.68 -5.35 -1.03 0.08 119.36 118.83 1h2o n ILE 86 Ca -0.16 -0.17 -0.22 0.00 -0.27 0.00 0.00 62.75 61.93 1h2o n ILE 86 Cb 0.53 -0.86 -0.04 0.00 -1.74 0.00 0.00 39.64 37.53 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 -2.10 2.60 0.00 6.28 2.12 -1.25 -4.71 118.70 121.64 1h2o s GLU 87 Ca -0.03 -1.40 0.00 0.00 0.36 0.00 0.00 54.97 53.90 1h2o s GLU 87 Cb 0.01 -2.38 0.00 0.00 0.26 0.00 0.00 34.13 32.03 1h2o s GLU 87 CO 0.17 0.07 0.00 0.41 -0.54 0.00 0.00 175.26 175.36 1h2o n GLY 88 N -1.33 4.40 0.28 -1.50 0.00 -1.26 -3.76 105.19 102.03 1h2o n GLY 88 Ca -0.02 -0.54 0.06 0.00 0.00 0.00 0.00 46.02 45.53 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 0.22 -0.53 1.61 3.32 -1.98 -2.04 116.42 117.03 1h2o h ASP 89 Ca 0.00 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.93 1h2o h ASP 89 Cb 0.00 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 1h2o h ASP 89 CO 0.00 0.16 -0.10 0.00 -1.72 0.00 0.00 179.24 177.59 1h2o h ALA 90 N 1.88 0.80 -0.86 3.45 0.00 -1.95 -3.12 119.26 119.46 1h2o h ALA 90 Ca 0.07 -0.35 0.16 0.00 0.00 0.00 0.00 54.91 54.79 1h2o h ALA 90 Cb -0.03 -0.20 -0.16 0.00 0.00 0.00 0.00 17.79 17.41 1h2o h ALA 90 CO -0.02 0.67 -0.29 -0.07 0.00 0.00 0.00 179.25 179.54 1h2o h LEU 91 N 0.91 -1.06 0.00 0.00 3.38 -1.63 -3.42 115.31 113.48 1h2o h LEU 91 Ca 0.14 0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.38 1h2o h LEU 91 Cb 0.66 0.61 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1h2o h LEU 91 CO 0.05 -0.29 0.00 0.61 0.09 0.00 0.00 178.44 178.89 1h2o n GLY 92 N -1.52 0.03 0.00 0.83 0.00 -1.18 0.12 105.19 103.47 1h2o n GLY 92 Ca 0.11 -0.36 0.11 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.82 0.00 -0.11 1.61 5.75 -1.26 -3.73 116.55 114.99 1h2o n ASP 93 Ca 0.00 -1.28 -0.20 0.00 -0.01 0.00 0.00 54.79 53.29 1h2o n ASP 93 Cb 0.00 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.00 1h2o n ASP 93 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1h2o n THR 94 N -0.84 1.51 -4.16 2.12 -1.04 -1.09 -4.82 114.28 105.97 1h2o n THR 94 Ca 0.16 -0.05 -0.22 0.00 -2.04 0.00 0.00 64.05 61.89 1h2o n THR 94 Cb 0.07 -2.08 -0.05 0.00 -1.82 0.00 0.00 70.33 66.45 1h2o n THR 94 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1h2o s LEU 95 N -7.85 3.66 0.00 -4.42 2.96 0.12 -3.41 118.68 109.74 1h2o s LEU 95 Ca -0.29 -0.34 0.00 0.00 -0.22 0.00 0.00 54.13 53.29 1h2o s LEU 95 Cb 0.07 -2.20 0.00 0.00 0.50 0.00 0.00 46.19 44.56 1h2o s LEU 95 CO 0.51 -0.02 0.00 1.21 -1.32 0.00 0.00 176.35 176.73 1h2o n GLU 96 N -1.04 0.00 -2.58 1.98 2.13 -0.84 -4.18 120.64 116.12 1h2o n GLU 96 Ca -0.08 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.42 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 4.05 0.01 5.31 1.02 -1.05 -4.60 119.74 124.47 1h2o s LYS 97 Ca 0.00 1.00 0.01 0.00 0.02 0.00 0.00 55.97 56.99 1h2o s LYS 97 Cb 0.00 -2.16 -0.01 0.00 -0.52 0.00 0.00 37.83 35.14 1h2o s LYS 97 CO 0.00 -0.17 -0.03 0.42 -0.92 0.00 0.00 175.35 174.66 1h2o s ILE 98 N -2.44 0.17 -0.11 2.17 -1.09 0.11 -0.47 121.20 119.54 1h2o s ILE 98 Ca 0.60 -0.34 0.03 0.00 -2.23 0.00 0.00 60.65 58.71 1h2o s ILE 98 Cb -0.10 -0.20 0.01 0.00 -1.58 0.00 0.00 42.46 40.59 1h2o s ILE 98 CO 0.24 -0.11 -0.21 -0.44 -1.23 0.00 0.00 174.94 173.19 1h2o s SER 99 N -0.48 2.91 -0.05 3.58 0.01 -0.61 -0.97 113.70 118.09 1h2o s SER 99 Ca -0.04 -0.54 0.05 0.00 1.31 0.00 0.00 55.95 56.74 1h2o s SER 99 Cb -0.03 -1.34 -0.01 0.00 0.21 0.00 0.00 66.02 64.85 1h2o s SER 99 CO -0.00 0.10 -0.22 -0.31 0.41 0.00 0.00 173.24 173.22 1h2o s TYR 100 N 0.64 2.14 0.00 2.43 2.02 0.16 0.69 117.35 125.43 1h2o s TYR 100 Ca -0.12 -0.63 0.01 0.00 -0.37 0.00 0.00 57.07 55.95 1h2o s TYR 100 Cb -0.16 -1.41 -0.00 0.00 -0.40 0.00 0.00 41.96 39.98 1h2o s TYR 100 CO 0.03 -0.20 -0.03 -2.00 -1.57 0.00 0.00 175.55 171.78 1h2o s GLU 101 N -0.07 0.23 0.03 -0.62 2.12 0.53 -0.27 118.70 120.65 1h2o s GLU 101 Ca -0.04 -0.17 0.01 0.00 0.36 0.00 0.00 54.97 55.13 1h2o s GLU 101 Cb -0.13 -0.17 -0.02 0.00 0.26 0.00 0.00 34.13 34.06 1h2o s GLU 101 CO 0.03 0.04 -0.06 0.99 -0.54 0.00 0.00 175.26 175.73 1h2o s THR 102 N -0.24 0.36 -0.08 -1.70 2.01 0.77 0.12 115.64 116.88 1h2o s THR 102 Ca -0.01 -1.00 -0.06 0.00 0.31 0.00 0.00 61.69 60.92 1h2o s THR 102 Cb -0.02 -0.46 0.02 0.00 0.01 0.00 0.00 72.50 72.05 1h2o s THR 102 CO -0.00 -0.43 0.20 -0.54 -0.69 0.00 0.00 174.62 173.16 1h2o s LYS 103 N -1.52 0.22 0.15 4.92 1.02 0.63 -0.54 119.74 124.62 1h2o s LYS 103 Ca -0.12 0.31 0.11 0.00 0.02 0.00 0.00 55.97 56.29 1h2o s LYS 103 Cb -0.10 0.07 -0.04 0.00 -0.52 0.00 0.00 37.83 37.24 1h2o s LYS 103 CO -0.00 -0.05 -0.23 -0.51 -0.92 0.00 0.00 175.35 173.64 1h2o s LEU 104 N 0.32 2.49 0.00 3.17 1.43 0.17 0.24 118.68 126.49 1h2o s LEU 104 Ca -0.02 -0.73 0.00 0.00 -1.03 0.00 0.00 54.13 52.35 1h2o s LEU 104 Cb -0.03 -1.31 0.00 0.00 0.03 0.00 0.00 46.19 44.88 1h2o s LEU 104 CO -0.01 0.15 0.00 0.52 0.23 0.00 0.00 176.35 177.24 1h2o n VAL 105 N 0.61 0.00 -5.05 -1.59 0.31 0.41 -4.67 118.33 108.35 1h2o n VAL 105 Ca -0.15 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 63.89 1h2o n VAL 105 Cb 0.54 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 33.32 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 -1.49 2.04 0.39 3.52 0.00 -1.26 -0.83 121.76 124.13 1h2o s ALA 106 Ca 0.00 -1.11 0.07 0.00 0.00 0.00 0.00 51.96 50.92 1h2o s ALA 106 Cb 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 23.12 22.64 1h2o s ALA 106 CO 0.00 0.49 0.54 -1.54 0.00 0.00 0.00 175.76 175.25 1h2o s SER 107 N -0.84 5.79 0.00 0.00 1.04 -0.33 -4.60 113.70 114.77 1h2o s SER 107 Ca 0.10 -0.25 0.20 0.00 0.48 0.00 0.00 55.95 56.47 1h2o s SER 107 Cb -0.09 -0.98 1.13 0.00 0.10 0.00 0.00 66.02 66.17 1h2o s SER 107 CO 0.00 -0.63 1.57 -0.81 0.98 0.00 0.00 173.24 174.35 1h2o n PRO 108 N -1.79 0.55 -0.11 4.02 -0.04 -1.26 -2.32 135.00 134.04 1h2o n PRO 108 Ca 0.04 0.02 0.08 0.00 -0.04 0.00 0.00 63.50 63.60 1h2o n PRO 108 Cb 0.59 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.68 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 -1.06 2.75 0.00 3.54 3.41 -1.26 -4.96 113.62 116.05 1h2o n SER 109 Ca 0.14 -1.81 0.00 0.00 -0.26 0.00 0.00 58.87 56.94 1h2o n SER 109 Cb 0.08 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 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 0.93 3.01 0.69 5.00 0.00 -0.98 -5.04 105.19 108.80 1h2o n GLY 110 Ca 0.12 -0.25 -0.07 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.53 2.95 -0.02 0.00 -1.26 -4.65 105.19 98.68 1h2o n GLY 111 Ca 0.00 -1.29 -0.23 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.22 1.42 0.43 1.61 1.04 0.41 -1.18 113.70 115.21 1h2o s SER 112 Ca 0.15 -0.22 -0.17 0.00 0.48 0.00 0.00 55.95 56.19 1h2o s SER 112 Cb -0.02 -0.64 -0.09 0.00 0.10 0.00 0.00 66.02 65.36 1h2o s SER 112 CO 0.12 -0.02 0.89 -0.63 0.98 0.00 0.00 173.24 174.57 1h2o s ILE 113 N 0.89 4.56 -0.10 -1.02 1.01 -0.01 -0.38 121.20 126.14 1h2o s ILE 113 Ca -0.11 1.15 -0.01 0.00 0.00 0.00 0.00 60.65 61.68 1h2o s ILE 113 Cb -0.15 -3.66 0.03 0.00 0.01 0.00 0.00 42.46 38.69 1h2o s ILE 113 CO 0.01 -0.44 -0.03 -0.63 0.00 0.00 0.00 174.94 173.85 1h2o s ILE 114 N -2.31 0.73 -0.25 2.92 1.01 0.39 0.15 121.20 123.85 1h2o s ILE 114 Ca 0.58 -0.16 -0.06 0.00 0.00 0.00 0.00 60.65 61.01 1h2o s ILE 114 Cb -0.10 -0.85 -0.01 0.00 0.01 0.00 0.00 42.46 41.51 1h2o s ILE 114 CO 0.22 0.27 0.03 -0.75 0.00 0.00 0.00 174.94 174.72 1h2o s LYS 115 N 1.82 3.45 0.23 2.79 2.20 0.65 -1.22 119.74 129.67 1h2o s LYS 115 Ca 0.04 -0.60 0.08 0.00 -0.36 0.00 0.00 55.97 55.14 1h2o s LYS 115 Cb -0.13 -3.22 -0.04 0.00 -1.51 0.00 0.00 37.83 32.93 1h2o s LYS 115 CO -0.07 -0.24 0.04 0.45 -0.36 0.00 0.00 175.35 175.17 1h2o s SER 116 N 1.54 4.81 -0.27 1.43 0.15 0.16 0.23 113.70 121.76 1h2o s SER 116 Ca 0.05 -0.48 -0.25 0.00 0.70 0.00 0.00 55.95 55.97 1h2o s SER 116 Cb -0.15 -1.01 0.07 0.00 -1.71 0.00 0.00 66.02 63.22 1h2o s SER 116 CO 0.01 0.02 0.72 -0.89 1.20 0.00 0.00 173.24 174.30 1h2o s THR 117 N -2.08 0.00 0.07 6.45 2.01 0.32 -0.42 115.64 121.99 1h2o s THR 117 Ca 0.30 0.00 -0.05 0.00 0.31 0.00 0.00 61.69 62.25 1h2o s THR 117 Cb -0.08 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.41 1h2o s THR 117 CO 0.20 0.00 0.08 -0.55 -0.69 0.00 0.00 174.62 173.67 1h2o s SER 118 N 0.41 0.29 0.06 3.53 0.15 0.61 0.20 113.70 118.95 1h2o s SER 118 Ca -0.00 -0.80 -0.04 0.00 0.70 0.00 0.00 55.95 55.81 1h2o s SER 118 Cb -0.05 0.27 -0.03 0.00 -1.71 0.00 0.00 66.02 64.50 1h2o s SER 118 CO 0.00 -0.66 0.04 -1.00 1.20 0.00 0.00 173.24 172.83 1h2o s HIS 119 N -3.81 0.37 0.13 3.44 3.76 0.22 -1.69 115.29 117.72 1h2o s HIS 119 Ca 0.05 -0.85 0.10 0.00 -0.15 0.00 0.00 55.06 54.21 1h2o s HIS 119 Cb 0.06 -0.26 -0.04 0.00 1.11 0.00 0.00 32.58 33.44 1h2o s HIS 119 CO -0.10 -0.42 -0.21 0.71 -0.85 0.00 0.00 174.74 173.87 1h2o s TYR 120 N -3.68 2.44 -0.55 1.40 1.51 -0.91 -1.57 117.35 116.00 1h2o s TYR 120 Ca 0.04 -0.31 0.04 0.00 -1.01 0.00 0.00 57.07 55.83 1h2o s TYR 120 Cb 0.06 -1.29 0.16 0.00 -0.11 0.00 0.00 41.96 40.78 1h2o s TYR 120 CO -0.09 0.39 0.38 -1.01 -1.11 0.00 0.00 175.55 174.11 1h2o s HIS 121 N -1.21 2.43 0.57 2.71 3.76 0.38 -2.87 115.29 121.05 1h2o s HIS 121 Ca 0.17 -2.81 -0.18 0.00 -0.15 0.00 0.00 55.06 52.09 1h2o s HIS 121 Cb -0.10 -1.97 -0.05 0.00 1.11 0.00 0.00 32.58 31.57 1h2o s HIS 121 CO 0.09 -0.69 1.09 0.95 -0.85 0.00 0.00 174.74 175.33 1h2o s THR 122 N -0.53 3.44 -0.25 1.30 -4.23 -1.16 -1.98 115.64 112.24 1h2o s THR 122 Ca 0.25 0.80 -0.05 0.00 -1.18 0.00 0.00 61.69 61.51 1h2o s THR 122 Cb -0.07 -3.30 -0.01 0.00 1.34 0.00 0.00 72.50 70.46 1h2o s THR 122 CO -0.13 -0.29 0.01 -0.75 -0.54 0.00 0.00 174.62 172.92 1h2o s LYS 123 N -3.62 3.33 0.00 3.99 2.20 -1.22 -4.84 119.74 119.57 1h2o s LYS 123 Ca 0.68 -0.68 0.00 0.00 -0.36 0.00 0.00 55.97 55.62 1h2o s LYS 123 Cb -0.20 -3.18 0.00 0.00 -1.51 0.00 0.00 37.83 32.95 1h2o s LYS 123 CO 0.31 -0.27 0.00 0.41 -0.36 0.00 0.00 175.35 175.43 1h2o n GLY 124 N 4.83 0.67 2.78 5.54 0.00 -1.26 -4.65 105.19 113.10 1h2o n GLY 124 Ca -0.17 -1.71 -0.33 0.00 0.00 0.00 0.00 46.02 43.81 1h2o n GLY 124 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1h2o n ASN 125 N 0.00 4.48 -4.03 1.61 5.15 -1.26 -5.03 115.26 116.18 1h2o n ASN 125 Ca 0.00 -3.34 -0.08 0.00 -0.60 0.00 0.00 54.58 50.56 1h2o n ASN 125 Cb 0.00 -0.92 -0.10 0.00 -0.53 0.00 0.00 39.78 38.23 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 -2.20 0.18 0.13 3.44 -7.23 -1.26 -5.17 120.40 108.28 1h2o s VAL 126 Ca 0.33 -1.44 0.07 0.00 -1.81 0.00 0.00 61.98 59.13 1h2o s VAL 126 Cb 0.05 -1.07 -0.04 0.00 0.56 0.00 0.00 36.38 35.88 1h2o s VAL 126 CO -0.02 -0.80 -0.15 -1.61 -0.31 0.00 0.00 175.10 172.21 1h2o s GLU 127 N -3.05 1.09 0.97 4.82 2.02 -1.26 -4.85 118.70 118.44 1h2o s GLU 127 Ca -0.01 -1.28 -0.14 0.00 0.02 0.00 0.00 54.97 53.56 1h2o s GLU 127 Cb 0.02 -1.02 0.17 0.00 0.10 0.00 0.00 34.13 33.40 1h2o s GLU 127 CO -0.07 0.20 1.16 0.42 0.02 0.00 0.00 175.26 177.00 1h2o s ILE 128 N -2.10 1.93 -0.21 -1.63 1.01 -1.26 -4.99 121.20 113.95 1h2o s ILE 128 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 60.65 60.68 1h2o s ILE 128 Cb -0.05 -2.74 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 1h2o s ILE 128 CO 0.04 0.00 0.08 -0.54 0.00 0.00 0.00 174.94 174.52 1h2o s LYS 129 N -5.40 3.87 0.20 2.79 -0.14 -1.26 -4.99 119.74 114.81 1h2o s LYS 129 Ca 0.67 -0.38 -0.19 0.00 -1.36 0.00 0.00 55.97 54.70 1h2o s LYS 129 Cb -0.12 -3.29 0.17 0.00 -1.68 0.00 0.00 37.83 32.91 1h2o s LYS 129 CO 0.54 0.09 1.57 0.93 -0.76 0.00 0.00 175.35 177.72 1h2o h GLU 130 N 7.34 -0.10 -0.69 1.68 5.08 -1.98 1.67 114.58 127.58 1h2o h GLU 130 Ca -0.37 0.01 0.20 0.00 -1.00 0.00 0.00 59.36 58.20 1h2o h GLU 130 Cb 1.17 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 1h2o h GLU 130 CO 0.65 -0.07 0.84 1.49 -1.00 0.00 0.00 179.01 180.92 1h2o h GLU 131 N -0.10 0.00 0.00 2.33 4.81 -1.95 1.50 114.58 121.17 1h2o h GLU 131 Ca 0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 1h2o h GLU 131 Cb 0.57 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1h2o h GLU 131 CO -0.80 0.00 -0.04 1.25 -0.73 0.00 0.00 179.01 178.69 1h2o h HIS 132 N 0.00 0.00 -0.59 0.92 2.76 0.21 -2.67 115.15 115.78 1h2o h HIS 132 Ca 0.33 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.40 1h2o h HIS 132 Cb 2.00 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.93 1h2o h HIS 132 CO 0.00 0.00 -0.01 -0.24 -1.30 0.00 0.00 177.93 176.38 1h2o h VAL 133 N -0.54 1.26 -0.59 5.26 3.04 -0.89 -1.75 116.25 122.04 1h2o h VAL 133 Ca 0.00 -1.15 -0.04 0.00 -1.01 0.00 0.00 66.70 64.50 1h2o h VAL 133 Cb 0.04 0.82 -0.03 0.00 -2.01 0.00 0.00 31.29 30.11 1h2o h VAL 133 CO 0.00 0.42 0.21 0.50 -1.01 0.00 0.00 177.57 177.69 1h2o h LYS 134 N 0.94 0.90 -0.13 4.17 3.64 0.19 -2.22 116.57 124.06 1h2o h LYS 134 Ca 0.17 -0.18 -0.08 0.00 -1.27 0.00 0.00 60.65 59.29 1h2o h LYS 134 Cb 0.56 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1h2o h LYS 134 CO 0.03 0.78 -0.28 0.00 -2.27 0.00 0.00 179.45 177.72 1h2o h ALA 135 N 1.07 1.29 0.00 5.00 0.00 -1.28 -2.13 119.26 123.21 1h2o h ALA 135 Ca 0.19 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1h2o h ALA 135 Cb 0.24 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1h2o h ALA 135 CO -0.01 0.48 -0.30 0.78 0.00 0.00 0.00 179.25 180.20 1h2o h GLY 136 N 1.00 0.00 1.50 0.00 0.00 -0.81 -1.92 103.07 102.84 1h2o h GLY 136 Ca 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.30 1h2o h GLY 136 CO 0.04 0.00 -0.05 0.50 0.00 0.00 0.00 176.54 177.03 1h2o h LYS 137 N 0.00 0.61 0.15 4.80 1.57 -0.81 0.27 116.57 123.16 1h2o h LYS 137 Ca -0.00 -0.16 -0.31 0.00 -1.87 0.00 0.00 60.65 58.31 1h2o h LYS 137 Cb 0.66 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1h2o h LYS 137 CO 0.04 0.67 -1.47 1.49 -0.57 0.00 0.00 179.45 179.61 1h2o h GLU 138 N 0.57 0.31 0.00 3.15 4.81 -1.49 -2.57 114.58 119.37 1h2o h GLU 138 Ca 0.11 -0.53 -0.10 0.00 -0.13 0.00 0.00 59.36 58.72 1h2o h GLU 138 Cb 0.44 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 1h2o h GLU 138 CO 0.02 1.21 -0.46 0.87 -0.73 0.00 0.00 179.01 179.92 1h2o h LYS 139 N 0.08 0.00 0.21 1.92 1.57 -1.19 -2.65 116.57 116.52 1h2o h LYS 139 Ca -0.23 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.23 1h2o h LYS 139 Cb 2.03 0.00 0.02 0.00 0.08 0.00 0.00 32.23 34.37 1h2o h LYS 139 CO 0.19 0.46 -1.51 0.00 -0.57 0.00 0.00 179.45 178.02 1h2o h ALA 140 N 1.54 -0.02 -0.22 3.86 0.00 -0.54 -3.20 119.26 120.68 1h2o h ALA 140 Ca -0.00 -0.95 -0.02 0.00 0.00 0.00 0.00 54.91 53.94 1h2o h ALA 140 Cb 1.02 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1h2o h ALA 140 CO 0.06 0.85 0.07 1.03 0.00 0.00 0.00 179.25 181.25 1h2o h SER 141 N 0.12 0.31 -0.66 0.00 0.87 -1.44 -2.60 113.55 110.17 1h2o h SER 141 Ca -0.26 -0.20 0.09 0.00 -1.23 0.00 0.00 61.79 60.19 1h2o h SER 141 Cb 2.12 -0.08 -0.07 0.00 -0.44 0.00 0.00 62.40 63.93 1h2o h SER 141 CO 0.24 0.43 0.31 0.78 -0.53 0.00 0.00 176.83 178.06 1h2o h ASN 142 N 0.18 0.39 -0.50 6.23 2.35 -1.59 -1.44 115.58 121.20 1h2o h ASN 142 Ca 0.07 0.06 0.04 0.00 -0.55 0.00 0.00 56.30 55.92 1h2o h ASN 142 Cb 0.23 -0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.55 1h2o h ASN 142 CO -0.00 0.23 0.25 0.25 -1.65 0.00 0.00 177.43 176.51 1h2o h LEU 143 N 0.54 0.35 -0.91 1.61 5.85 -1.50 -1.15 115.31 120.10 1h2o h LEU 143 Ca 0.32 0.03 0.12 0.00 0.84 0.00 0.00 57.88 59.18 1h2o h LEU 143 Cb 0.33 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.24 1h2o h LEU 143 CO -0.26 0.25 0.54 -0.26 -0.34 0.00 0.00 178.44 178.37 1h2o h PHE 144 N 0.49 0.98 0.00 1.25 0.04 -0.90 0.48 116.94 119.28 1h2o h PHE 144 Ca 0.22 0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.02 1h2o h PHE 144 Cb 0.13 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 37.98 1h2o h PHE 144 CO -0.10 0.37 0.00 1.63 -0.60 0.00 0.00 178.31 179.61 1h2o n LYS 145 N -4.71 0.14 0.07 1.51 5.02 -0.53 -2.60 118.16 117.07 1h2o n LYS 145 Ca 0.17 0.30 -0.18 0.00 -2.02 0.00 0.00 58.31 56.58 1h2o n LYS 145 Cb 0.34 -1.72 -0.14 0.00 -0.02 0.00 0.00 35.03 33.48 1h2o n LYS 145 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1h2o h LEU 146 N 0.00 0.43 -0.28 -0.35 3.38 0.88 -3.11 115.31 116.26 1h2o h LEU 146 Ca 0.00 -0.58 -0.07 0.00 0.09 0.00 0.00 57.88 57.32 1h2o h LEU 146 Cb 0.42 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1h2o h LEU 146 CO 0.00 1.48 -0.11 0.40 0.09 0.00 0.00 178.44 180.30 1h2o h ILE 147 N 0.08 1.29 -0.58 1.22 2.04 -1.14 -0.41 117.51 120.02 1h2o h ILE 147 Ca -0.24 -1.19 0.09 0.00 1.00 0.00 0.00 64.86 64.53 1h2o h ILE 147 Cb 2.03 1.47 -0.07 0.00 -0.74 0.00 0.00 36.82 39.50 1h2o h ILE 147 CO 0.17 0.38 0.19 -0.33 0.00 0.00 0.00 178.15 178.56 1h2o h GLU 148 N 0.33 0.34 -0.58 2.37 4.39 -1.60 -0.11 114.58 119.72 1h2o h GLU 148 Ca 0.07 -0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.66 1h2o h GLU 148 Cb 0.62 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 1h2o h GLU 148 CO 0.04 0.23 0.01 1.15 -1.16 0.00 0.00 179.01 179.27 1h2o h THR 149 N 0.35 1.26 -0.69 1.13 2.02 -1.44 -0.86 112.91 114.69 1h2o h THR 149 Ca 0.29 -1.11 0.10 0.00 0.77 0.00 0.00 66.41 66.46 1h2o h THR 149 Cb 0.37 0.80 -0.11 0.00 -1.74 0.00 0.00 68.15 67.47 1h2o h THR 149 CO -0.32 0.40 -0.46 0.22 0.37 0.00 0.00 175.52 175.74 1h2o h TYR 150 N 0.92 -1.36 -0.05 3.16 3.20 0.74 0.78 116.97 124.37 1h2o h TYR 150 Ca 0.17 0.09 -0.25 0.00 3.14 0.00 0.00 58.73 61.88 1h2o h TYR 150 Cb 0.52 0.69 0.02 0.00 1.54 0.00 0.00 36.73 39.50 1h2o h TYR 150 CO 0.03 -0.42 -0.96 -0.07 -1.64 0.00 0.00 178.16 175.11 1h2o h LEU 151 N -0.17 0.91 -2.23 2.82 3.38 -1.41 1.43 115.31 120.04 1h2o h LEU 151 Ca 0.20 -0.68 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1h2o h LEU 151 Cb 0.55 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1h2o h LEU 151 CO -0.76 1.49 0.00 0.50 0.09 0.00 0.00 178.44 179.75 1h2o h LYS 152 N 0.43 0.00 0.00 1.13 3.64 0.10 -2.59 116.57 119.28 1h2o h LYS 152 Ca -0.10 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.16 1h2o h LYS 152 Cb 1.61 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.40 1h2o h LYS 152 CO 0.19 0.00 -1.45 0.41 -2.27 0.00 0.00 179.45 176.33 1h2o n GLY 153 N -1.07 -0.33 3.22 5.01 0.00 0.26 -4.84 105.19 107.43 1h2o n GLY 153 Ca -0.02 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.17 3.61 -2.00 1.61 3.76 0.49 -4.88 115.29 115.70 1h2o s HIS 154 Ca -0.03 -2.35 0.14 0.00 -0.15 0.00 0.00 55.06 52.67 1h2o s HIS 154 Cb 0.02 -3.53 0.87 0.00 1.11 0.00 0.00 32.58 31.05 1h2o s HIS 154 CO 0.27 -0.92 1.29 -0.35 -0.85 0.00 0.00 174.74 174.19 1h2o n PRO 155 N 3.69 0.56 -0.00 8.40 -0.04 -1.25 -2.37 135.00 143.99 1h2o n PRO 155 Ca 0.12 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.64 1h2o n PRO 155 Cb 0.43 -1.41 -0.09 0.00 -0.04 0.00 0.00 33.50 32.39 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 -0.91 1.53 -4.55 3.54 8.00 -1.26 -4.39 116.55 118.51 1h2o n ASP 156 Ca 0.11 -0.29 -0.38 0.00 0.71 0.00 0.00 54.79 54.93 1h2o n ASP 156 Cb 0.05 1.37 -0.03 0.00 -0.02 0.00 0.00 41.12 42.49 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 -2.62 2.24 -0.36 2.24 0.00 -1.00 -3.86 121.76 118.40 1h2o s ALA 157 Ca -0.01 -0.81 -0.05 0.00 0.00 0.00 0.00 51.96 51.10 1h2o s ALA 157 Cb 0.09 -4.31 0.05 0.00 0.00 0.00 0.00 23.12 18.94 1h2o s ALA 157 CO 0.52 -3.84 0.11 2.48 0.00 0.00 0.00 175.76 175.04 1h2o n TYR 158 N 12.27 -1.34 -0.26 0.00 0.18 -1.26 -4.95 117.16 121.80 1h2o n TYR 158 Ca 0.19 0.13 0.00 0.00 1.88 0.00 0.00 57.90 60.10 1h2o n TYR 158 Cb 0.51 -0.92 0.00 0.00 -0.38 0.00 0.00 39.34 38.56 1h2o n TYR 158 CO 0.00 0.00 0.00 -1.71 -2.08 0.00 0.00 176.86 173.07