#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 4.63 0.63 1.61 0.11 -1.26 -3.98 120.40 122.15 1h2o s VAL 2 Ca 0.00 0.99 -0.03 0.00 -2.93 0.00 0.00 61.98 60.01 1h2o s VAL 2 Cb 0.00 -3.71 0.05 0.00 -1.53 0.00 0.00 36.38 31.19 1h2o s VAL 2 CO 0.00 -0.55 0.90 -0.36 -3.33 0.00 0.00 175.10 171.76 1h2o s PHE 3 N -2.44 2.86 -0.21 1.54 0.40 0.41 -4.80 117.98 115.74 1h2o s PHE 3 Ca 0.56 0.21 -0.04 0.00 -0.60 0.00 0.00 56.93 57.06 1h2o s PHE 3 Cb -0.10 -2.99 0.07 0.00 0.51 0.00 0.00 43.02 40.51 1h2o s PHE 3 CO 0.29 -1.17 0.08 0.99 0.70 0.00 0.00 175.22 176.11 1h2o s THR 4 N -3.02 0.17 -0.09 0.64 2.01 -1.26 -2.20 115.64 111.90 1h2o s THR 4 Ca 0.59 -0.48 0.01 0.00 0.31 0.00 0.00 61.69 62.12 1h2o s THR 4 Cb -0.10 -0.86 -0.03 0.00 0.01 0.00 0.00 72.50 71.52 1h2o s THR 4 CO 0.42 -0.37 -0.10 -0.31 -0.69 0.00 0.00 174.62 173.57 1h2o s TYR 5 N 2.01 2.85 0.09 4.92 2.02 0.28 -4.96 117.35 124.56 1h2o s TYR 5 Ca 0.03 -0.21 0.06 0.00 -0.37 0.00 0.00 57.07 56.57 1h2o s TYR 5 Cb -0.16 -1.74 -0.03 0.00 -0.40 0.00 0.00 41.96 39.62 1h2o s TYR 5 CO -0.15 0.13 -0.14 -1.83 -1.57 0.00 0.00 175.55 171.99 1h2o s GLU 6 N -0.40 0.92 0.05 -0.62 -1.05 -1.26 0.10 118.70 116.44 1h2o s GLU 6 Ca 0.05 -1.09 -0.00 0.00 -0.15 0.00 0.00 54.97 53.78 1h2o s GLU 6 Cb -0.12 -0.89 -0.03 0.00 -0.44 0.00 0.00 34.13 32.65 1h2o s GLU 6 CO 0.02 0.18 -0.04 0.45 0.95 0.00 0.00 175.26 176.83 1h2o s SER 7 N -2.07 0.51 -0.13 0.83 0.15 0.45 -4.94 113.70 108.49 1h2o s SER 7 Ca 0.03 -0.81 -0.06 0.00 0.70 0.00 0.00 55.95 55.81 1h2o s SER 7 Cb -0.08 0.15 0.06 0.00 -1.71 0.00 0.00 66.02 64.44 1h2o s SER 7 CO 0.03 -0.47 0.28 -1.61 1.20 0.00 0.00 173.24 172.67 1h2o s GLU 8 N -2.99 0.20 0.24 5.44 2.02 -1.26 -0.61 118.70 121.74 1h2o s GLU 8 Ca -0.01 0.70 -0.03 0.00 0.02 0.00 0.00 54.97 55.65 1h2o s GLU 8 Cb 0.01 -0.03 0.01 0.00 0.10 0.00 0.00 34.13 34.22 1h2o s GLU 8 CO -0.06 -0.23 0.37 1.97 0.02 0.00 0.00 175.26 177.34 1h2o n PHE 9 N 4.87 -1.31 -4.20 1.61 -1.74 -0.60 -5.00 117.46 111.07 1h2o n PHE 9 Ca -0.15 -1.47 -0.15 0.00 -0.56 0.00 0.00 57.45 55.13 1h2o n PHE 9 Cb 0.51 0.43 -0.08 0.00 1.52 0.00 0.00 39.48 41.86 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 -2.62 0.00 0.11 1.97 -4.23 -1.26 0.14 115.64 109.75 1h2o s THR 10 Ca 0.17 -1.91 -0.16 0.00 -1.18 0.00 0.00 61.69 58.61 1h2o s THR 10 Cb -0.01 -2.49 0.03 0.00 1.34 0.00 0.00 72.50 71.36 1h2o s THR 10 CO 0.12 0.00 0.39 -0.55 -0.54 0.00 0.00 174.62 174.04 1h2o s SER 11 N -3.24 -0.22 0.38 3.99 0.15 0.16 -4.86 113.70 110.07 1h2o s SER 11 Ca 0.38 -0.29 0.22 0.00 0.70 0.00 0.00 55.95 56.96 1h2o s SER 11 Cb 0.04 0.45 0.25 0.00 -1.71 0.00 0.00 66.02 65.05 1h2o s SER 11 CO 0.19 -0.81 1.48 -0.33 1.20 0.00 0.00 173.24 174.97 1h2o h GLU 12 N 2.51 0.00 -7.07 5.44 4.39 -1.93 0.96 114.58 118.87 1h2o h GLU 12 Ca -0.34 0.00 -0.45 0.00 0.34 0.00 0.00 59.36 58.92 1h2o h GLU 12 Cb 1.24 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.88 1h2o h GLU 12 CO 0.47 0.04 0.34 0.42 -1.16 0.00 0.00 179.01 179.12 1h2o s ILE 13 N -3.21 4.42 0.42 3.13 -1.09 -1.26 -4.56 121.20 119.04 1h2o s ILE 13 Ca 0.05 1.44 -0.26 0.00 -2.23 0.00 0.00 60.65 59.66 1h2o s ILE 13 Cb 0.06 -3.62 -0.08 0.00 -1.58 0.00 0.00 42.46 37.24 1h2o s ILE 13 CO 0.70 -0.37 1.30 -2.16 -1.23 0.00 0.00 174.94 173.18 1h2o s PRO 14 N -3.31 3.90 0.24 2.79 0.04 -1.26 -4.00 135.00 133.41 1h2o s PRO 14 Ca 0.61 2.14 0.08 0.00 0.04 0.00 0.00 61.00 63.88 1h2o s PRO 14 Cb -0.09 -2.70 0.25 0.00 0.04 0.00 0.00 34.50 32.00 1h2o s PRO 14 CO 0.16 -0.54 1.55 -1.00 0.04 0.00 0.00 177.00 177.21 1h2o h PRO 15 N 2.56 0.06 0.00 0.56 0.13 -1.92 -2.71 132.00 130.67 1h2o h PRO 15 Ca -0.50 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 64.55 1h2o h PRO 15 Cb 1.25 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1h2o h PRO 15 CO 0.62 0.71 -0.17 -1.00 -0.23 0.00 0.00 178.00 177.93 1h2o h PRO 16 N 0.04 0.00 0.13 1.56 0.13 -1.94 0.39 132.00 132.30 1h2o h PRO 16 Ca -0.01 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.85 1h2o h PRO 16 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1h2o h PRO 16 CO 0.09 0.17 -1.37 0.00 -0.23 0.00 0.00 178.00 176.66 1h2o h ARG 17 N 0.00 0.27 -0.01 0.86 3.08 -1.89 -2.80 114.38 113.89 1h2o h ARG 17 Ca -0.00 -0.45 -0.11 0.00 0.07 0.00 0.00 59.98 59.49 1h2o h ARG 17 Cb 0.62 0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 1h2o h ARG 17 CO 0.02 1.22 -0.49 1.25 -1.07 0.00 0.00 179.97 180.90 1h2o h LEU 18 N -0.28 0.03 0.22 3.04 6.46 -1.35 -2.56 115.31 120.86 1h2o h LEU 18 Ca -0.29 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.45 1h2o h LEU 18 Cb 1.78 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 41.70 1h2o h LEU 18 CO 0.08 0.52 -0.10 0.15 -0.62 0.00 0.00 178.44 178.46 1h2o h PHE 19 N 0.02 -0.27 -0.79 1.25 3.57 -0.32 0.20 116.94 120.60 1h2o h PHE 19 Ca -0.00 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.66 1h2o h PHE 19 Cb 0.88 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.66 1h2o h PHE 19 CO 0.00 0.10 0.53 0.87 -2.23 0.00 0.00 178.31 177.59 1h2o h LYS 20 N -0.72 0.34 0.07 1.11 1.57 -1.46 0.05 116.57 117.54 1h2o h LYS 20 Ca -0.03 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1h2o h LYS 20 Cb 0.49 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1h2o h LYS 20 CO 0.05 0.23 -0.03 0.00 -0.57 0.00 0.00 179.45 179.12 1h2o h ALA 21 N 1.63 -0.09 -0.40 3.86 0.00 -1.25 0.58 119.26 123.60 1h2o h ALA 21 Ca 0.40 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1h2o h ALA 21 Cb 1.02 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1h2o h ALA 21 CO -0.12 -0.14 0.26 0.35 0.00 0.00 0.00 179.25 179.60 1h2o h PHE 22 N -0.91 0.50 0.00 0.00 3.57 -0.09 0.11 116.94 120.12 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 0.59 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.16 1h2o h PHE 22 CO 0.14 0.31 -0.90 0.28 -2.23 0.00 0.00 178.31 175.91 1h2o n VAL 23 N -4.81 1.40 0.58 1.41 0.31 -0.04 -3.20 118.33 113.98 1h2o n VAL 23 Ca 0.00 0.17 0.06 0.00 -0.01 0.00 0.00 64.34 64.57 1h2o n VAL 23 Cb 0.02 -2.27 0.31 0.00 -0.91 0.00 0.00 33.84 30.99 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 -4.30 0.00 -1.29 7.52 4.32 -0.66 -3.26 117.00 119.33 1h2o n LEU 24 Ca -0.13 0.27 -0.01 0.00 -0.02 0.00 0.00 56.01 56.12 1h2o n LEU 24 Cb 0.47 -0.27 -0.02 0.00 -1.62 0.00 0.00 43.42 41.98 1h2o n LEU 24 CO 0.19 -0.16 0.19 0.47 -1.22 0.00 0.00 177.39 176.86 1h2o n ASP 25 N -1.27 0.10 0.23 -1.43 9.92 0.19 -4.87 116.55 119.43 1h2o n ASP 25 Ca 0.06 -2.00 0.11 0.00 -0.53 0.00 0.00 54.79 52.43 1h2o n ASP 25 Cb 0.09 -0.03 0.53 0.00 -0.64 0.00 0.00 41.12 41.07 1h2o n ASP 25 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1h2o h ALA 26 N 0.57 1.07 0.00 2.24 0.00 -0.76 0.22 119.26 122.60 1h2o h ALA 26 Ca -0.38 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1h2o h ALA 26 Cb 1.67 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1h2o h ALA 26 CO -0.08 0.24 0.00 -0.44 0.00 0.00 0.00 179.25 178.98 1h2o h ASP 27 N 0.00 0.00 0.00 0.00 3.32 -1.86 -2.99 116.42 114.89 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 0.65 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1h2o h ASP 27 CO 0.03 0.00 -0.08 -0.46 -1.72 0.00 0.00 179.24 177.01 1h2o n ASN 28 N -2.70 1.12 -0.11 6.45 0.23 -0.94 -4.57 115.26 114.74 1h2o n ASN 28 Ca 0.01 -1.87 -0.25 0.00 -0.53 0.00 0.00 54.58 51.94 1h2o n ASN 28 Cb 0.26 -0.11 -0.11 0.00 -2.08 0.00 0.00 39.78 37.75 1h2o n ASN 28 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1h2o n LEU 29 N -0.43 1.98 0.14 -4.53 7.99 0.02 -4.06 117.00 118.12 1h2o n LEU 29 Ca 0.03 0.36 0.00 0.00 -0.01 0.00 0.00 56.01 56.39 1h2o n LEU 29 Cb 0.47 -0.91 0.18 0.00 -0.11 0.00 0.00 43.42 43.05 1h2o n LEU 29 CO 0.00 0.45 0.51 1.62 -1.51 0.00 0.00 177.39 178.46 1h2o h VAL 30 N -0.91 1.31 0.00 4.08 3.04 -1.83 -0.02 116.25 121.91 1h2o h VAL 30 Ca -0.51 -2.08 0.00 0.00 -1.01 0.00 0.00 66.70 63.10 1h2o h VAL 30 Cb 1.49 2.16 0.00 0.00 -2.01 0.00 0.00 31.29 32.93 1h2o h VAL 30 CO -0.28 0.57 0.00 -0.81 -1.01 0.00 0.00 177.57 176.04 1h2o n PRO 31 N -3.68 0.98 0.00 4.17 -0.04 -1.26 -2.69 135.00 132.47 1h2o n PRO 31 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1h2o n PRO 31 Cb 0.62 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 1h2o n PRO 31 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1h2o n LYS 32 N -0.94 3.06 0.09 0.54 5.02 -1.09 -4.66 118.16 120.19 1h2o n LYS 32 Ca 0.21 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.29 1h2o n LYS 32 Cb 0.09 -0.88 -0.12 0.00 -0.02 0.00 0.00 35.03 34.10 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 1.31 -0.49 -0.18 2.04 -1.07 -3.45 117.51 115.68 1h2o h ILE 33 Ca 0.00 -2.48 0.17 0.00 1.00 0.00 0.00 64.86 63.55 1h2o h ILE 33 Cb 0.77 2.65 -0.20 0.00 -0.74 0.00 0.00 36.82 39.30 1h2o h ILE 33 CO 0.00 0.75 -0.09 0.00 0.00 0.00 0.00 178.15 178.81 1h2o s ALA 34 N -3.03 -3.45 -2.00 1.87 0.00 -1.10 -5.00 121.76 109.06 1h2o s ALA 34 Ca -0.09 1.33 0.19 0.00 0.00 0.00 0.00 51.96 53.39 1h2o s ALA 34 Cb 0.06 -2.67 1.16 0.00 0.00 0.00 0.00 23.12 21.67 1h2o s ALA 34 CO 0.92 -1.88 1.57 -0.35 0.00 0.00 0.00 175.76 176.02 1h2o n PRO 35 N 5.26 0.69 0.00 0.00 -0.04 -1.25 -2.69 135.00 136.98 1h2o n PRO 35 Ca 0.05 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.64 1h2o n PRO 35 Cb 0.56 -1.44 0.39 0.00 -0.04 0.00 0.00 33.50 32.97 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 -0.94 0.20 -0.13 0.54 6.02 -1.26 -4.22 117.38 117.59 1h2o n GLN 36 Ca 0.15 -0.10 -0.27 0.00 -0.01 0.00 0.00 57.00 56.77 1h2o n GLN 36 Cb 0.07 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 29.74 1h2o n GLN 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1h2o n ALA 37 N -1.32 1.20 -2.61 -1.58 0.00 -1.09 -4.58 120.51 110.52 1h2o n ALA 37 Ca 0.08 -1.06 -0.24 0.00 0.00 0.00 0.00 53.44 52.21 1h2o n ALA 37 Cb 0.33 0.13 -0.15 0.00 0.00 0.00 0.00 19.45 19.76 1h2o n ALA 37 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1h2o s ILE 38 N -2.54 1.32 0.09 0.00 1.09 -1.26 -3.91 121.20 116.00 1h2o s ILE 38 Ca -0.37 -0.70 -0.14 0.00 -1.10 0.00 0.00 60.65 58.34 1h2o s ILE 38 Cb 0.14 -1.11 -0.17 0.00 -1.06 0.00 0.00 42.46 40.26 1h2o s ILE 38 CO 0.48 0.38 1.27 0.50 -0.10 0.00 0.00 174.94 177.47 1h2o h LYS 39 N 5.86 0.75 -1.12 2.79 3.64 -0.16 -3.42 116.57 124.91 1h2o h LYS 39 Ca -0.35 -0.64 0.28 0.00 -1.27 0.00 0.00 60.65 58.67 1h2o h LYS 39 Cb 1.16 0.14 -0.23 0.00 -0.41 0.00 0.00 32.23 32.89 1h2o h LYS 39 CO 0.48 1.24 0.94 -3.38 -2.27 0.00 0.00 179.45 176.47 1h2o s HIS 40 N -3.67 -0.04 -0.18 1.91 -3.43 -1.25 -4.92 115.29 103.70 1h2o s HIS 40 Ca -0.11 0.05 0.01 0.00 -0.80 0.00 0.00 55.06 54.21 1h2o s HIS 40 Cb 0.08 0.50 0.02 0.00 -1.43 0.00 0.00 32.58 31.75 1h2o s HIS 40 CO 0.90 -0.06 -0.20 -1.12 -2.00 0.00 0.00 174.74 172.26 1h2o s SER 41 N -1.65 3.14 -0.20 7.38 0.01 -1.26 -1.32 113.70 119.79 1h2o s SER 41 Ca 0.10 -0.65 0.01 0.00 1.31 0.00 0.00 55.95 56.71 1h2o s SER 41 Cb -0.01 -1.48 0.04 0.00 0.21 0.00 0.00 66.02 64.78 1h2o s SER 41 CO -0.05 -0.00 -0.10 -0.70 0.41 0.00 0.00 173.24 172.80 1h2o s GLU 42 N 1.29 2.02 0.52 12.44 2.56 -1.19 -4.82 118.70 131.52 1h2o s GLU 42 Ca 0.05 -0.86 -0.23 0.00 0.00 0.00 0.00 54.97 53.93 1h2o s GLU 42 Cb -0.13 -2.43 -0.06 0.00 2.00 0.00 0.00 34.13 33.51 1h2o s GLU 42 CO -0.13 -0.43 1.40 0.42 -0.56 0.00 0.00 175.26 175.95 1h2o s ILE 43 N 1.39 2.00 0.00 -3.70 1.01 -1.26 -1.51 121.20 119.13 1h2o s ILE 43 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.64 1h2o s ILE 43 Cb -0.16 -3.00 0.00 0.00 0.01 0.00 0.00 42.46 39.30 1h2o s ILE 43 CO -0.08 0.00 0.00 0.18 0.00 0.00 0.00 174.94 175.04 1h2o n LEU 44 N -0.75 0.00 -4.44 2.97 4.32 0.72 -4.83 117.00 114.98 1h2o n LEU 44 Ca 0.09 0.00 -0.22 0.00 -0.02 0.00 0.00 56.01 55.85 1h2o n LEU 44 Cb 0.44 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.13 1h2o n LEU 44 CO 0.55 0.00 -0.40 0.26 -1.22 0.00 0.00 177.39 176.58 1h2o s TRP 45 N -1.89 2.05 0.00 -1.77 0.52 -0.93 -4.82 118.94 112.10 1h2o s TRP 45 Ca 0.00 -0.58 0.00 0.00 0.02 0.00 0.00 56.10 55.54 1h2o s TRP 45 Cb 0.00 -1.09 0.00 0.00 -1.15 0.00 0.00 33.47 31.23 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 -0.60 1.69 0.73 0.98 0.00 -1.26 -3.19 105.19 103.54 1h2o n GLY 46 Ca -0.06 -0.25 -0.01 0.00 0.00 0.00 0.00 46.02 45.70 1h2o n GLY 46 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1h2o n ASP 47 N -1.02 -0.13 0.00 1.61 9.92 -1.26 -4.95 116.55 120.72 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 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 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 1.69 0.00 0.44 0.00 -1.26 -5.11 105.19 101.00 1h2o n GLY 48 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1h2o n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h2o n GLY 49 N 0.00 -0.88 3.71 -0.02 0.00 -1.26 -4.91 105.19 101.82 1h2o n GLY 49 Ca 0.00 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 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 -2.80 4.39 0.00 1.61 0.04 -1.26 -2.66 135.00 134.33 1h2o s PRO 50 Ca 0.00 1.85 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1h2o s PRO 50 Cb 0.00 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.19 1h2o s PRO 50 CO 0.00 -0.33 0.00 0.41 0.04 0.00 0.00 177.00 177.12 1h2o n GLY 51 N 3.32 1.19 3.78 0.56 0.00 0.30 -4.94 105.19 109.39 1h2o n GLY 51 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1h2o n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h2o s THR 52 N -2.23 3.36 -0.08 2.61 2.01 -1.09 -4.54 115.64 115.69 1h2o s THR 52 Ca 0.00 0.44 -0.01 0.00 0.31 0.00 0.00 61.69 62.43 1h2o s THR 52 Cb 0.00 -3.01 0.03 0.00 0.01 0.00 0.00 72.50 69.52 1h2o s THR 52 CO 0.00 -0.58 -0.02 -0.63 -0.69 0.00 0.00 174.62 172.71 1h2o s ILE 53 N -2.97 0.51 -0.17 1.82 1.01 -1.19 0.82 121.20 121.02 1h2o s ILE 53 Ca 0.61 0.03 -0.05 0.00 0.00 0.00 0.00 60.65 61.24 1h2o s ILE 53 Cb -0.16 -0.64 -0.03 0.00 0.01 0.00 0.00 42.46 41.64 1h2o s ILE 53 CO 0.56 0.28 0.00 -0.54 0.00 0.00 0.00 174.94 175.24 1h2o s LYS 54 N 1.88 3.76 -0.86 2.79 1.02 0.32 0.26 119.74 128.90 1h2o s LYS 54 Ca 0.04 -0.47 -0.18 0.00 0.02 0.00 0.00 55.97 55.39 1h2o s LYS 54 Cb -0.12 -3.04 0.15 0.00 -0.52 0.00 0.00 37.83 34.30 1h2o s LYS 54 CO -0.06 0.21 0.98 0.21 -0.92 0.00 0.00 175.35 175.77 1h2o s LYS 55 N 0.48 3.53 0.32 1.68 2.20 -0.57 0.11 119.74 127.49 1h2o s LYS 55 Ca -0.01 -1.89 -0.26 0.00 -0.36 0.00 0.00 55.97 53.45 1h2o s LYS 55 Cb -0.14 -4.69 -0.10 0.00 -1.51 0.00 0.00 37.83 31.40 1h2o s LYS 55 CO 0.02 -1.61 0.94 0.42 -0.36 0.00 0.00 175.35 174.76 1h2o s ILE 56 N 2.01 4.20 0.33 5.43 1.01 0.17 -3.18 121.20 131.17 1h2o s ILE 56 Ca 0.26 1.84 0.10 0.00 0.00 0.00 0.00 60.65 62.85 1h2o s ILE 56 Cb -0.09 -4.03 -0.06 0.00 0.01 0.00 0.00 42.46 38.30 1h2o s ILE 56 CO -0.07 0.16 -0.06 0.42 0.00 0.00 0.00 174.94 175.40 1h2o s THR 57 N -1.59 2.55 0.00 2.92 -4.23 -0.44 0.17 115.64 115.03 1h2o s THR 57 Ca 0.50 -2.11 0.07 0.00 -1.18 0.00 0.00 61.69 58.97 1h2o s THR 57 Cb -0.19 -2.68 -0.02 0.00 1.34 0.00 0.00 72.50 70.95 1h2o s THR 57 CO 0.24 -0.25 -0.23 -0.36 -0.54 0.00 0.00 174.62 173.49 1h2o s PHE 58 N -2.53 2.05 -0.27 3.99 0.08 0.77 0.50 117.98 122.57 1h2o s PHE 58 Ca 0.33 -0.39 -0.00 0.00 0.12 0.00 0.00 56.93 56.99 1h2o s PHE 58 Cb -0.01 -1.29 0.21 0.00 -0.57 0.00 0.00 43.02 41.36 1h2o s PHE 58 CO 0.18 0.01 1.90 0.41 -0.10 0.00 0.00 175.22 177.62 1h2o n GLY 59 N 2.31 3.78 0.45 4.36 0.00 -1.25 -4.29 105.19 110.55 1h2o n GLY 59 Ca -0.16 -0.89 0.25 0.00 0.00 0.00 0.00 46.02 45.22 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 1.24 0.00 0.00 1.61 5.08 -1.86 -3.47 114.58 117.18 1h2o h GLU 60 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1h2o h GLU 60 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1h2o h GLU 60 CO 0.65 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 179.07 1h2o n GLY 61 N -1.60 0.52 0.27 -3.84 0.00 -1.26 -4.84 105.19 94.43 1h2o n GLY 61 Ca 0.15 -1.42 -0.06 0.00 0.00 0.00 0.00 46.02 44.68 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 0.80 -3.96 1.61 0.02 -1.98 -3.43 113.55 106.61 1h2o h SER 62 Ca 0.00 -0.10 -0.56 0.00 -0.84 0.00 0.00 61.79 60.29 1h2o h SER 62 Cb 0.00 -0.20 0.15 0.00 0.14 0.00 0.00 62.40 62.49 1h2o h SER 62 CO 0.00 0.68 0.47 0.00 -1.14 0.00 0.00 176.83 176.84 1h2o n GLN 63 N -4.53 1.28 -3.14 3.45 6.02 -1.26 -4.95 117.38 114.25 1h2o n GLN 63 Ca 0.05 0.49 -0.40 0.00 -0.01 0.00 0.00 57.00 57.13 1h2o n GLN 63 Cb 0.10 -2.47 -0.06 0.00 1.02 0.00 0.00 30.24 28.83 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 -1.37 3.43 -0.27 1.08 2.02 -1.26 -4.69 117.35 116.29 1h2o s TYR 64 Ca 0.77 0.97 -0.04 0.00 -0.37 0.00 0.00 57.07 58.40 1h2o s TYR 64 Cb -0.40 -2.76 0.09 0.00 -0.40 0.00 0.00 41.96 38.49 1h2o s TYR 64 CO 0.45 -0.08 0.11 0.20 -1.57 0.00 0.00 175.55 174.66 1h2o s GLY 65 N 1.05 0.55 0.17 0.71 0.00 -1.26 -5.05 107.32 103.48 1h2o s GLY 65 Ca 0.30 -1.01 -0.05 0.00 0.00 0.00 0.00 44.72 43.96 1h2o s GLY 65 CO 0.12 1.92 0.18 -2.52 0.00 0.00 0.00 173.10 172.79 1h2o s TYR 66 N 2.03 0.73 0.26 1.90 -0.85 -1.26 0.27 117.35 120.44 1h2o s TYR 66 Ca 0.07 -1.07 0.03 0.00 -0.52 0.00 0.00 57.07 55.58 1h2o s TYR 66 Cb -0.16 -0.30 -0.04 0.00 0.38 0.00 0.00 41.96 41.84 1h2o s TYR 66 CO -0.29 -0.65 0.19 0.14 -1.52 0.00 0.00 175.55 173.42 1h2o s VAL 67 N -4.04 0.05 -0.13 -3.49 -7.23 0.46 -4.20 120.40 101.81 1h2o s VAL 67 Ca 0.25 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.43 1h2o s VAL 67 Cb 0.05 -2.50 0.02 0.00 0.56 0.00 0.00 36.38 34.51 1h2o s VAL 67 CO 0.04 0.00 -0.14 -0.54 -0.31 0.00 0.00 175.10 174.15 1h2o s LYS 68 N -3.84 2.15 -0.21 4.82 1.02 -1.26 0.43 119.74 122.85 1h2o s LYS 68 Ca 0.39 -0.51 -0.05 0.00 0.02 0.00 0.00 55.97 55.82 1h2o s LYS 68 Cb 0.05 -1.94 -0.02 0.00 -0.52 0.00 0.00 37.83 35.39 1h2o s LYS 68 CO 0.19 -0.18 0.00 -1.01 -0.92 0.00 0.00 175.35 173.43 1h2o s HIS 69 N 1.33 3.04 -0.33 3.18 3.76 0.30 -2.32 115.29 124.24 1h2o s HIS 69 Ca 0.01 -0.50 -0.14 0.00 -0.15 0.00 0.00 55.06 54.28 1h2o s HIS 69 Cb -0.14 -2.10 -0.02 0.00 1.11 0.00 0.00 32.58 31.43 1h2o s HIS 69 CO -0.07 -0.28 0.33 0.21 -0.85 0.00 0.00 174.74 174.08 1h2o s LYS 70 N 1.11 3.62 0.23 1.40 2.20 0.43 0.12 119.74 128.85 1h2o s LYS 70 Ca 0.03 -0.40 -0.32 0.00 -0.36 0.00 0.00 55.97 54.92 1h2o s LYS 70 Cb -0.14 -3.78 -0.12 0.00 -1.51 0.00 0.00 37.83 32.27 1h2o s LYS 70 CO 0.01 -0.46 1.60 -0.89 -0.36 0.00 0.00 175.35 175.25 1h2o n ILE 71 N 5.20 0.49 -0.10 5.43 2.08 0.24 0.25 119.36 132.94 1h2o n ILE 71 Ca -0.10 -0.12 -0.16 0.00 0.56 0.00 0.00 62.75 62.93 1h2o n ILE 71 Cb 0.50 -1.80 -0.08 0.00 -0.75 0.00 0.00 39.64 37.50 1h2o n ILE 71 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1h2o n ASP 72 N 2.98 2.22 -3.59 4.38 8.00 0.43 0.11 116.55 131.07 1h2o n ASP 72 Ca 0.13 -0.01 -0.04 0.00 0.71 0.00 0.00 54.79 55.58 1h2o n ASP 72 Cb 0.34 -0.38 -0.02 0.00 -0.02 0.00 0.00 41.12 41.03 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 -6.12 -0.14 0.07 -2.24 0.01 -0.01 -4.61 113.70 100.66 1h2o s SER 73 Ca -0.26 0.01 -0.00 0.00 1.31 0.00 0.00 55.95 57.00 1h2o s SER 73 Cb 0.08 0.15 -0.04 0.00 0.21 0.00 0.00 66.02 66.41 1h2o s SER 73 CO 0.42 -0.24 -0.04 -0.63 0.41 0.00 0.00 173.24 173.16 1h2o s ILE 74 N -2.38 0.37 -0.44 1.44 1.01 -1.26 -0.68 121.20 119.26 1h2o s ILE 74 Ca 0.09 -1.84 0.04 0.00 0.00 0.00 0.00 60.65 58.94 1h2o s ILE 74 Cb -0.01 -1.55 0.17 0.00 0.01 0.00 0.00 42.46 41.07 1h2o s ILE 74 CO -0.05 -0.95 0.35 -1.81 0.00 0.00 0.00 174.94 172.48 1h2o s ASP 75 N -2.94 1.88 0.56 3.58 1.01 -0.63 -4.94 116.67 115.20 1h2o s ASP 75 Ca 0.08 -3.12 0.37 0.00 0.71 0.00 0.00 52.55 50.60 1h2o s ASP 75 Cb 0.07 -0.57 1.89 0.00 1.01 0.00 0.00 42.92 45.32 1h2o s ASP 75 CO -0.08 -0.17 2.13 0.50 0.21 0.00 0.00 175.17 177.76 1h2o h LYS 76 N 5.67 0.00 0.02 8.23 3.64 -1.96 2.18 116.57 134.36 1h2o h LYS 76 Ca 0.24 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.31 1h2o h LYS 76 Cb 0.89 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.67 1h2o h LYS 76 CO 0.41 0.00 -1.86 0.39 -2.27 0.00 0.00 179.45 176.11 1h2o n GLU 77 N -2.91 0.66 0.00 1.90 1.02 -1.26 -4.08 120.64 115.97 1h2o n GLU 77 Ca -0.02 0.25 0.10 0.00 -0.02 0.00 0.00 57.16 57.48 1h2o n GLU 77 Cb 0.14 -1.74 0.01 0.00 -0.02 0.00 0.00 31.44 29.83 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 -3.10 2.08 -3.29 1.62 3.02 -0.78 -4.99 115.26 109.82 1h2o n ASN 78 Ca -0.22 -1.54 -0.16 0.00 -0.03 0.00 0.00 54.58 52.63 1h2o n ASN 78 Cb 1.06 0.41 0.08 0.00 -0.61 0.00 0.00 39.78 40.72 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 0.14 -2.29 -4.35 3.10 4.01 0.73 -4.32 117.16 114.17 1h2o n TYR 79 Ca 0.09 0.88 -0.18 0.00 -0.16 0.00 0.00 57.90 58.53 1h2o n TYR 79 Cb 0.46 -4.52 -0.10 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 -3.81 2.04 -0.09 7.72 0.01 -0.85 0.22 113.70 118.94 1h2o s SER 80 Ca 0.24 -1.22 -0.13 0.00 1.31 0.00 0.00 55.95 56.15 1h2o s SER 80 Cb -0.03 -0.03 0.03 0.00 0.21 0.00 0.00 66.02 66.20 1h2o s SER 80 CO 0.72 -0.48 0.34 -0.47 0.41 0.00 0.00 173.24 173.75 1h2o s TYR 81 N -3.33 -0.31 -0.13 2.43 5.04 0.57 -1.60 117.35 120.02 1h2o s TYR 81 Ca 0.29 0.69 -0.08 0.00 -2.44 0.00 0.00 57.07 55.53 1h2o s TYR 81 Cb 0.05 0.12 0.05 0.00 0.35 0.00 0.00 41.96 42.53 1h2o s TYR 81 CO 0.10 -0.26 0.32 -1.12 -1.34 0.00 0.00 175.55 173.24 1h2o s SER 82 N -0.39 -0.37 0.29 4.32 0.01 0.15 0.20 113.70 117.92 1h2o s SER 82 Ca -0.05 0.68 -0.01 0.00 1.31 0.00 0.00 55.95 57.88 1h2o s SER 82 Cb -0.03 0.58 -0.02 0.00 0.21 0.00 0.00 66.02 66.76 1h2o s SER 82 CO 0.02 -0.17 0.34 -0.72 0.41 0.00 0.00 173.24 173.12 1h2o s TYR 83 N 1.16 1.20 -0.08 2.43 1.13 -0.05 0.16 117.35 123.29 1h2o s TYR 83 Ca -0.08 -1.35 0.02 0.00 -1.41 0.00 0.00 57.07 54.25 1h2o s TYR 83 Cb -0.08 -0.34 0.01 0.00 -1.10 0.00 0.00 41.96 40.45 1h2o s TYR 83 CO -0.09 -0.93 -0.14 0.99 -2.51 0.00 0.00 175.55 172.88 1h2o s THR 84 N -3.54 1.29 -0.21 -3.49 2.01 0.69 -0.64 115.64 111.74 1h2o s THR 84 Ca 0.34 -0.55 -0.15 0.00 0.31 0.00 0.00 61.69 61.65 1h2o s THR 84 Cb 0.02 -1.18 -0.04 0.00 0.01 0.00 0.00 72.50 71.31 1h2o s THR 84 CO 0.19 0.39 0.35 -0.22 -0.69 0.00 0.00 174.62 174.65 1h2o s LEU 85 N 0.77 4.15 -0.00 4.42 2.96 -0.03 0.16 118.68 131.10 1h2o s LEU 85 Ca -0.12 0.44 0.11 0.00 -0.22 0.00 0.00 54.13 54.34 1h2o s LEU 85 Cb -0.16 -2.44 -0.13 0.00 0.50 0.00 0.00 46.19 43.96 1h2o s LEU 85 CO 0.02 -0.05 0.40 2.30 -1.32 0.00 0.00 176.35 177.71 1h2o n ILE 86 N 4.32 0.00 -4.57 6.68 -5.35 -0.98 -1.21 119.36 118.25 1h2o n ILE 86 Ca -0.10 -0.25 -0.26 0.00 -0.27 0.00 0.00 62.75 61.88 1h2o n ILE 86 Cb 0.51 0.80 -0.10 0.00 -1.74 0.00 0.00 39.64 39.11 1h2o n ILE 86 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1h2o s GLU 87 N -2.22 1.88 0.00 6.28 2.12 -1.25 -4.92 118.70 120.59 1h2o s GLU 87 Ca 0.02 -2.10 0.00 0.00 0.36 0.00 0.00 54.97 53.25 1h2o s GLU 87 Cb 0.08 -1.16 0.00 0.00 0.26 0.00 0.00 34.13 33.30 1h2o s GLU 87 CO 0.45 -0.23 0.00 0.41 -0.54 0.00 0.00 175.26 175.35 1h2o n GLY 88 N -0.91 3.28 0.23 -1.50 0.00 -1.26 -4.24 105.19 100.80 1h2o n GLY 88 Ca -0.07 -0.39 0.13 0.00 0.00 0.00 0.00 46.02 45.69 1h2o n GLY 88 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1h2o h ASP 89 N 0.00 0.00 1.56 1.61 3.32 -1.98 0.28 116.42 121.21 1h2o h ASP 89 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1h2o h ASP 89 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1h2o h ASP 89 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 1h2o h ALA 90 N 1.64 1.00 0.00 3.45 0.00 -1.96 -3.11 119.26 120.28 1h2o h ALA 90 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1h2o h ALA 90 Cb 0.30 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1h2o h ALA 90 CO 0.00 0.00 -0.13 -0.07 0.00 0.00 0.00 179.25 179.05 1h2o h LEU 91 N 0.00 0.00 0.00 0.00 3.38 -0.77 -3.48 115.31 114.44 1h2o h LEU 91 Ca 0.00 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.17 1h2o h LEU 91 Cb 0.78 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.48 1h2o h LEU 91 CO 0.00 0.13 -0.27 0.61 0.09 0.00 0.00 178.44 179.00 1h2o n GLY 92 N -0.42 -0.99 0.00 0.83 0.00 -1.18 -1.31 105.19 102.12 1h2o n GLY 92 Ca -0.01 -0.60 0.06 0.00 0.00 0.00 0.00 46.02 45.46 1h2o n GLY 92 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1h2o n ASP 93 N -4.37 0.00 -0.05 1.61 8.00 -1.26 -3.31 116.55 117.17 1h2o n ASP 93 Ca 0.01 -1.64 -0.11 0.00 0.71 0.00 0.00 54.79 53.75 1h2o n ASP 93 Cb 0.34 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.30 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 -0.68 1.54 -3.93 -3.53 -2.24 -1.22 -4.78 114.28 99.43 1h2o n THR 94 Ca 0.09 -0.79 -0.22 0.00 -2.27 0.00 0.00 64.05 60.86 1h2o n THR 94 Cb 0.04 -0.92 -0.04 0.00 -2.10 0.00 0.00 70.33 67.31 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 -5.99 3.57 0.00 3.22 1.43 -0.43 -2.77 118.68 117.71 1h2o s LEU 95 Ca -0.10 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.50 1h2o s LEU 95 Cb 0.07 -2.14 0.00 0.00 0.03 0.00 0.00 46.19 44.15 1h2o s LEU 95 CO 0.81 -0.27 0.00 1.21 0.23 0.00 0.00 176.35 178.32 1h2o n GLU 96 N -1.28 0.00 -2.74 1.70 2.13 0.12 -4.70 120.64 115.88 1h2o n GLU 96 Ca -0.03 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.37 1h2o n GLU 96 Cb 0.60 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.27 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 4.60 -0.03 5.31 1.02 -1.14 -4.69 119.74 124.81 1h2o s LYS 97 Ca 0.00 1.40 0.07 0.00 0.02 0.00 0.00 55.97 57.46 1h2o s LYS 97 Cb 0.00 -3.43 -0.02 0.00 -0.52 0.00 0.00 37.83 33.86 1h2o s LYS 97 CO 0.00 0.05 -0.25 0.42 -0.92 0.00 0.00 175.35 174.65 1h2o s ILE 98 N 0.66 2.13 -0.16 2.17 -1.09 -0.35 0.10 121.20 124.67 1h2o s ILE 98 Ca 0.50 -1.07 0.01 0.00 -2.23 0.00 0.00 60.65 57.86 1h2o s ILE 98 Cb -0.22 -1.75 0.01 0.00 -1.58 0.00 0.00 42.46 38.92 1h2o s ILE 98 CO 0.28 0.58 -0.19 -0.44 -1.23 0.00 0.00 174.94 173.94 1h2o s SER 99 N -0.49 3.29 -0.08 3.58 0.01 0.27 -0.85 113.70 119.42 1h2o s SER 99 Ca 0.06 -0.58 0.05 0.00 1.31 0.00 0.00 55.95 56.79 1h2o s SER 99 Cb -0.11 -1.49 -0.01 0.00 0.21 0.00 0.00 66.02 64.62 1h2o s SER 99 CO 0.00 0.05 -0.23 -0.31 0.41 0.00 0.00 173.24 173.16 1h2o s TYR 100 N 1.00 2.54 -0.01 2.43 2.02 0.18 0.88 117.35 126.39 1h2o s TYR 100 Ca -0.02 -0.84 0.03 0.00 -0.37 0.00 0.00 57.07 55.87 1h2o s TYR 100 Cb -0.15 -1.67 -0.01 0.00 -0.40 0.00 0.00 41.96 39.73 1h2o s TYR 100 CO -0.05 -0.29 -0.10 -2.00 -1.57 0.00 0.00 175.55 171.53 1h2o s GLU 101 N 0.09 0.83 0.09 -0.62 2.12 0.44 -0.87 118.70 120.78 1h2o s GLU 101 Ca -0.11 -0.38 0.04 0.00 0.36 0.00 0.00 54.97 54.88 1h2o s GLU 101 Cb -0.16 -0.81 -0.03 0.00 0.26 0.00 0.00 34.13 33.39 1h2o s GLU 101 CO 0.06 0.22 -0.10 0.99 -0.54 0.00 0.00 175.26 175.89 1h2o s THR 102 N -0.27 0.92 -0.14 -1.70 2.01 0.54 1.00 115.64 118.00 1h2o s THR 102 Ca 0.04 -1.53 -0.09 0.00 0.31 0.00 0.00 61.69 60.42 1h2o s THR 102 Cb -0.04 -1.23 0.05 0.00 0.01 0.00 0.00 72.50 71.28 1h2o s THR 102 CO -0.00 -0.49 0.35 -0.54 -0.69 0.00 0.00 174.62 173.25 1h2o s LYS 103 N -2.50 0.35 0.15 4.92 1.02 0.58 -0.31 119.74 123.94 1h2o s LYS 103 Ca 0.03 0.63 0.09 0.00 0.02 0.00 0.00 55.97 56.73 1h2o s LYS 103 Cb -0.05 0.02 -0.04 0.00 -0.52 0.00 0.00 37.83 37.24 1h2o s LYS 103 CO 0.00 -0.13 -0.14 -0.51 -0.92 0.00 0.00 175.35 173.66 1h2o s LEU 104 N 0.99 2.84 0.00 3.17 1.43 0.59 0.23 118.68 127.93 1h2o s LEU 104 Ca -0.07 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 52.45 1h2o s LEU 104 Cb -0.07 -1.59 0.00 0.00 0.03 0.00 0.00 46.19 44.56 1h2o s LEU 104 CO -0.08 0.14 0.00 0.52 0.23 0.00 0.00 176.35 177.16 1h2o n VAL 105 N 0.38 0.00 -4.60 -1.59 0.31 0.40 -4.55 118.33 108.68 1h2o n VAL 105 Ca -0.13 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 63.95 1h2o n VAL 105 Cb 0.54 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 33.33 1h2o n VAL 105 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1h2o s ALA 106 N -1.43 1.78 0.44 3.52 0.00 -1.26 -1.11 121.76 123.69 1h2o s ALA 106 Ca 0.00 -1.09 0.08 0.00 0.00 0.00 0.00 51.96 50.94 1h2o s ALA 106 Cb 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.79 1h2o s ALA 106 CO 0.00 0.39 0.49 -1.54 0.00 0.00 0.00 175.76 175.10 1h2o s SER 107 N -1.29 5.27 0.20 0.00 1.04 -0.47 -4.58 113.70 113.86 1h2o s SER 107 Ca 0.07 -0.65 0.23 0.00 0.48 0.00 0.00 55.95 56.08 1h2o s SER 107 Cb -0.09 -0.49 0.91 0.00 0.10 0.00 0.00 66.02 66.45 1h2o s SER 107 CO 0.02 -0.77 1.70 -0.81 0.98 0.00 0.00 173.24 174.36 1h2o n PRO 108 N -1.73 0.17 -0.37 4.02 -0.04 -1.26 -2.48 135.00 133.31 1h2o n PRO 108 Ca 0.06 0.33 0.09 0.00 -0.04 0.00 0.00 63.50 63.94 1h2o n PRO 108 Cb 0.61 -1.79 0.27 0.00 -0.04 0.00 0.00 33.50 32.55 1h2o n PRO 108 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1h2o n SER 109 N -2.10 3.44 0.00 3.54 7.64 -1.26 -4.91 113.62 119.97 1h2o n SER 109 Ca 0.03 -2.12 0.00 0.00 1.01 0.00 0.00 58.87 57.79 1h2o n SER 109 Cb 0.27 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 1h2o n SER 109 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1h2o n GLY 110 N 1.29 2.50 0.64 0.23 0.00 -1.03 -5.01 105.19 103.81 1h2o n GLY 110 Ca 0.20 -0.25 -0.05 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.87 2.92 -0.02 0.00 -1.26 -4.58 105.19 99.38 1h2o n GLY 111 Ca 0.00 -0.94 -0.18 0.00 0.00 0.00 0.00 46.02 44.89 1h2o n GLY 111 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h2o s SER 112 N -1.93 0.80 0.27 1.61 1.04 0.33 -1.37 113.70 114.45 1h2o s SER 112 Ca 0.11 -0.11 -0.17 0.00 0.48 0.00 0.00 55.95 56.25 1h2o s SER 112 Cb -0.02 -0.27 -0.09 0.00 0.10 0.00 0.00 66.02 65.74 1h2o s SER 112 CO 0.09 0.00 0.73 -0.63 0.98 0.00 0.00 173.24 174.41 1h2o s ILE 113 N 0.45 4.62 -0.20 -1.02 1.01 -0.27 0.39 121.20 126.19 1h2o s ILE 113 Ca -0.06 1.12 -0.01 0.00 0.00 0.00 0.00 60.65 61.70 1h2o s ILE 113 Cb -0.09 -3.74 0.06 0.00 0.01 0.00 0.00 42.46 38.69 1h2o s ILE 113 CO -0.00 0.02 -0.00 -0.63 0.00 0.00 0.00 174.94 174.33 1h2o s ILE 114 N -1.74 0.91 -0.13 2.92 1.01 0.36 0.15 121.20 124.68 1h2o s ILE 114 Ca 0.48 -0.77 -0.11 0.00 0.00 0.00 0.00 60.65 60.26 1h2o s ILE 114 Cb -0.14 -1.30 -0.05 0.00 0.01 0.00 0.00 42.46 40.99 1h2o s ILE 114 CO 0.19 -0.13 0.22 -0.75 0.00 0.00 0.00 174.94 174.47 1h2o s LYS 115 N 1.69 3.92 0.06 2.79 2.20 0.63 -1.56 119.74 129.46 1h2o s LYS 115 Ca -0.02 -0.01 0.05 0.00 -0.36 0.00 0.00 55.97 55.63 1h2o s LYS 115 Cb -0.17 -3.31 -0.03 0.00 -1.51 0.00 0.00 37.83 32.81 1h2o s LYS 115 CO -0.07 0.50 -0.15 0.45 -0.36 0.00 0.00 175.35 175.72 1h2o s SER 116 N -0.29 1.78 -0.03 1.43 0.15 0.22 0.21 113.70 117.17 1h2o s SER 116 Ca 0.15 -0.55 -0.13 0.00 0.70 0.00 0.00 55.95 56.12 1h2o s SER 116 Cb -0.13 -0.09 0.02 0.00 -1.71 0.00 0.00 66.02 64.12 1h2o s SER 116 CO 0.04 -0.01 0.28 -0.89 1.20 0.00 0.00 173.24 173.86 1h2o s THR 117 N -1.06 0.05 0.04 6.45 2.01 0.28 0.17 115.64 123.58 1h2o s THR 117 Ca 0.01 -0.42 -0.12 0.00 0.31 0.00 0.00 61.69 61.47 1h2o s THR 117 Cb -0.09 -0.55 0.01 0.00 0.01 0.00 0.00 72.50 71.88 1h2o s THR 117 CO 0.02 -0.23 0.25 -0.94 -0.69 0.00 0.00 174.62 173.03 1h2o s SER 118 N -1.05 -0.04 -0.02 3.53 1.04 0.29 0.17 113.70 117.60 1h2o s SER 118 Ca -0.11 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.03 1h2o s SER 118 Cb -0.05 0.33 0.03 0.00 0.10 0.00 0.00 66.02 66.42 1h2o s SER 118 CO 0.03 -0.59 0.02 -1.00 0.98 0.00 0.00 173.24 172.67 1h2o s HIS 119 N -2.62 0.14 -0.27 5.02 3.76 0.25 0.99 115.29 122.57 1h2o s HIS 119 Ca -0.05 0.08 -0.11 0.00 -0.15 0.00 0.00 55.06 54.83 1h2o s HIS 119 Cb -0.01 -0.31 -0.05 0.00 1.11 0.00 0.00 32.58 33.33 1h2o s HIS 119 CO -0.04 -0.11 0.21 0.71 -0.85 0.00 0.00 174.74 174.66 1h2o s TYR 120 N 1.07 3.23 -0.46 1.40 1.51 -0.93 -0.56 117.35 122.60 1h2o s TYR 120 Ca -0.09 0.16 -0.18 0.00 -1.01 0.00 0.00 57.07 55.95 1h2o s TYR 120 Cb -0.13 -2.39 0.04 0.00 -0.11 0.00 0.00 41.96 39.37 1h2o s TYR 120 CO -0.03 -0.14 0.53 -1.01 -1.11 0.00 0.00 175.55 173.80 1h2o s HIS 121 N 1.71 3.12 0.60 2.71 3.76 0.12 0.15 115.29 127.46 1h2o s HIS 121 Ca 0.08 -0.47 -0.13 0.00 -0.15 0.00 0.00 55.06 54.38 1h2o s HIS 121 Cb -0.16 -3.25 -0.04 0.00 1.11 0.00 0.00 32.58 30.25 1h2o s HIS 121 CO 0.10 -0.87 1.03 0.95 -0.85 0.00 0.00 174.74 175.10 1h2o s THR 122 N 2.36 4.34 -0.26 1.30 -4.23 -1.26 -0.70 115.64 117.19 1h2o s THR 122 Ca 0.14 0.93 -0.02 0.00 -1.18 0.00 0.00 61.69 61.55 1h2o s THR 122 Cb -0.18 -3.63 0.03 0.00 1.34 0.00 0.00 72.50 70.05 1h2o s THR 122 CO 0.13 -0.83 -0.03 -0.75 -0.54 0.00 0.00 174.62 172.59 1h2o s LYS 123 N -4.62 2.77 1.84 3.99 2.20 -1.12 -4.79 119.74 120.01 1h2o s LYS 123 Ca 0.58 -1.03 0.00 0.00 -0.36 0.00 0.00 55.97 55.16 1h2o s LYS 123 Cb -0.12 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.13 1h2o s LYS 123 CO 0.44 -0.45 0.00 0.41 -0.36 0.00 0.00 175.35 175.39 1h2o n GLY 124 N 4.68 0.78 2.87 5.54 0.00 -1.26 -4.54 105.19 113.26 1h2o n GLY 124 Ca -0.16 -1.22 -0.31 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 2.09 3.80 -3.97 1.61 4.05 -1.26 -5.04 115.26 116.53 1h2o n ASN 125 Ca 0.00 -3.26 -0.09 0.00 0.45 0.00 0.00 54.58 51.69 1h2o n ASN 125 Cb 0.00 -0.87 -0.10 0.00 1.23 0.00 0.00 39.78 40.04 1h2o n ASN 125 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1h2o s VAL 126 N -1.76 0.14 0.20 3.44 -7.23 -1.26 -5.16 120.40 108.77 1h2o s VAL 126 Ca 0.30 -1.17 0.03 0.00 -1.81 0.00 0.00 61.98 59.33 1h2o s VAL 126 Cb -0.00 -0.83 -0.05 0.00 0.56 0.00 0.00 36.38 36.06 1h2o s VAL 126 CO -0.10 -0.65 -0.02 -1.61 -0.31 0.00 0.00 175.10 172.41 1h2o s GLU 127 N -2.52 1.23 0.61 4.82 2.02 -1.26 -4.81 118.70 118.79 1h2o s GLU 127 Ca -0.06 -1.60 -0.00 0.00 0.02 0.00 0.00 54.97 53.33 1h2o s GLU 127 Cb -0.02 -0.54 0.06 0.00 0.10 0.00 0.00 34.13 33.73 1h2o s GLU 127 CO -0.04 -0.07 0.85 0.42 0.02 0.00 0.00 175.26 176.44 1h2o s ILE 128 N -3.45 2.49 -0.13 -1.63 1.09 -1.26 -4.99 121.20 113.32 1h2o s ILE 128 Ca 0.25 -0.60 -0.00 0.00 -1.10 0.00 0.00 60.65 59.19 1h2o s ILE 128 Cb 0.05 -2.89 -0.02 0.00 -1.06 0.00 0.00 42.46 38.55 1h2o s ILE 128 CO 0.06 0.00 -0.12 -0.54 -0.10 0.00 0.00 174.94 174.24 1h2o s LYS 129 N -4.91 3.41 0.24 2.79 -0.14 -1.26 -5.01 119.74 114.87 1h2o s LYS 129 Ca 0.60 -0.67 -0.12 0.00 -1.36 0.00 0.00 55.97 54.42 1h2o s LYS 129 Cb -0.09 -2.65 0.33 0.00 -1.68 0.00 0.00 37.83 33.74 1h2o s LYS 129 CO 0.40 0.22 1.59 0.93 -0.76 0.00 0.00 175.35 177.73 1h2o h GLU 130 N 6.70 -0.01 -0.41 1.68 5.08 -1.98 1.82 114.58 127.45 1h2o h GLU 130 Ca -0.26 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.22 1h2o h GLU 130 Cb 1.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 1h2o h GLU 130 CO 0.56 -0.01 0.68 1.49 -1.00 0.00 0.00 179.01 180.73 1h2o h GLU 131 N -0.01 0.00 0.00 2.33 4.81 -1.96 1.61 114.58 121.36 1h2o h GLU 131 Ca 0.38 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.61 1h2o h GLU 131 Cb 0.61 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.99 1h2o h GLU 131 CO -0.86 0.00 -0.20 1.25 -0.73 0.00 0.00 179.01 178.47 1h2o h HIS 132 N 0.00 0.00 0.00 0.92 2.76 0.24 -3.04 115.15 116.03 1h2o h HIS 132 Ca 0.20 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.32 1h2o h HIS 132 Cb 1.55 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.50 1h2o h HIS 132 CO 0.00 0.00 -0.24 -0.24 -1.30 0.00 0.00 177.93 176.15 1h2o h VAL 133 N -0.53 1.02 -0.03 5.26 3.04 -0.96 -2.28 116.25 121.78 1h2o h VAL 133 Ca 0.00 -0.88 -0.03 0.00 -1.01 0.00 0.00 66.70 64.78 1h2o h VAL 133 Cb 0.20 1.50 0.00 0.00 -2.01 0.00 0.00 31.29 30.98 1h2o h VAL 133 CO 0.00 0.24 -0.08 0.50 -1.01 0.00 0.00 177.57 177.21 1h2o h LYS 134 N 0.00 0.10 0.00 4.17 1.63 0.22 -3.06 116.57 119.62 1h2o h LYS 134 Ca -0.00 -0.08 -0.01 0.00 -0.85 0.00 0.00 60.65 59.71 1h2o h LYS 134 Cb 0.48 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.12 1h2o h LYS 134 CO 0.03 0.71 -0.07 0.00 -3.45 0.00 0.00 179.45 176.67 1h2o h ALA 135 N 0.40 1.40 -0.05 5.00 0.00 -1.40 -1.42 119.26 123.19 1h2o h ALA 135 Ca -0.00 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1h2o h ALA 135 Cb 0.72 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1h2o h ALA 135 CO 0.02 0.08 -0.50 0.78 0.00 0.00 0.00 179.25 179.63 1h2o h GLY 136 N 0.46 0.14 1.75 0.00 0.00 -1.33 -2.36 103.07 101.73 1h2o h GLY 136 Ca -0.00 -0.14 -0.06 0.00 0.00 0.00 0.00 47.33 47.13 1h2o h GLY 136 CO 0.01 0.13 -0.14 0.50 0.00 0.00 0.00 176.54 177.04 1h2o h LYS 137 N 0.10 0.31 0.23 4.80 1.57 -1.16 0.96 116.57 123.38 1h2o h LYS 137 Ca 0.00 -0.08 -0.33 0.00 -1.87 0.00 0.00 60.65 58.38 1h2o h LYS 137 Cb 0.92 -0.04 0.04 0.00 0.08 0.00 0.00 32.23 33.23 1h2o h LYS 137 CO 0.07 0.46 -1.42 1.49 -0.57 0.00 0.00 179.45 179.48 1h2o h GLU 138 N 0.29 0.55 -0.17 3.15 4.81 -1.53 -2.55 114.58 119.14 1h2o h GLU 138 Ca 0.06 -0.90 -0.13 0.00 -0.13 0.00 0.00 59.36 58.26 1h2o h GLU 138 Cb 0.43 0.33 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 1h2o h GLU 138 CO 0.03 1.43 -0.44 0.87 -0.73 0.00 0.00 179.01 180.17 1h2o h LYS 139 N 0.14 0.41 -0.10 1.92 1.79 -1.24 -2.44 116.57 117.05 1h2o h LYS 139 Ca -0.24 -0.21 -0.18 0.00 -2.18 0.00 0.00 60.65 57.83 1h2o h LYS 139 Cb 2.11 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 32.77 1h2o h LYS 139 CO 0.27 0.77 -0.70 0.00 -1.08 0.00 0.00 179.45 178.71 1h2o h ALA 140 N 1.20 0.61 -0.42 3.86 0.00 -0.88 -3.07 119.26 120.56 1h2o h ALA 140 Ca 0.02 -0.59 -0.07 0.00 0.00 0.00 0.00 54.91 54.27 1h2o h ALA 140 Cb 0.91 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1h2o h ALA 140 CO 0.08 0.74 -0.02 0.77 0.00 0.00 0.00 179.25 180.82 1h2o h SER 141 N 0.31 0.75 -0.27 0.00 0.02 -1.30 -2.69 113.55 110.36 1h2o h SER 141 Ca -0.02 -0.32 0.04 0.00 -0.84 0.00 0.00 61.79 60.65 1h2o h SER 141 Cb 1.27 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 63.56 1h2o h SER 141 CO 0.12 0.89 0.03 0.78 -1.14 0.00 0.00 176.83 177.51 1h2o h ASN 142 N 0.59 -0.05 -0.67 3.07 2.35 -1.43 -1.84 115.58 117.61 1h2o h ASN 142 Ca 0.12 0.05 0.07 0.00 -0.55 0.00 0.00 56.30 55.99 1h2o h ASN 142 Cb 0.52 0.08 -0.06 0.00 0.05 0.00 0.00 38.32 38.91 1h2o h ASN 142 CO 0.03 0.01 0.35 0.25 -1.65 0.00 0.00 177.43 176.41 1h2o h LEU 143 N 0.12 0.48 -1.04 1.61 7.12 -1.44 -0.70 115.31 121.46 1h2o h LEU 143 Ca 0.13 0.04 0.10 0.00 0.13 0.00 0.00 57.88 58.28 1h2o h LEU 143 Cb 0.15 -0.04 -0.08 0.00 -0.53 0.00 0.00 40.66 40.16 1h2o h LEU 143 CO -0.19 0.30 0.63 -0.26 -0.13 0.00 0.00 178.44 178.79 1h2o h PHE 144 N 0.62 1.14 0.00 1.25 0.04 -1.02 0.28 116.94 119.26 1h2o h PHE 144 Ca 0.31 0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.11 1h2o h PHE 144 Cb 0.26 -0.37 0.00 0.00 2.20 0.00 0.00 35.95 38.05 1h2o h PHE 144 CO -0.10 0.51 0.00 1.63 -0.60 0.00 0.00 178.31 179.76 1h2o n LYS 145 N -4.56 0.11 0.07 1.51 5.02 -0.33 -2.62 118.16 117.37 1h2o n LYS 145 Ca 0.17 0.27 -0.17 0.00 -2.02 0.00 0.00 58.31 56.56 1h2o n LYS 145 Cb 0.29 -1.68 -0.14 0.00 -0.02 0.00 0.00 35.03 33.47 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 0.42 -0.18 -0.35 3.38 0.17 -2.82 115.31 115.93 1h2o h LEU 146 Ca 0.00 -0.56 -0.07 0.00 0.09 0.00 0.00 57.88 57.34 1h2o h LEU 146 Cb 0.41 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1h2o h LEU 146 CO 0.00 1.46 -0.17 0.40 0.09 0.00 0.00 178.44 180.23 1h2o h ILE 147 N 0.07 1.33 -0.71 1.22 2.04 -1.26 -1.66 117.51 118.55 1h2o h ILE 147 Ca -0.24 -1.32 0.02 0.00 1.00 0.00 0.00 64.86 64.33 1h2o h ILE 147 Cb 2.02 1.80 -0.04 0.00 -0.74 0.00 0.00 36.82 39.86 1h2o h ILE 147 CO 0.17 0.40 0.45 -0.33 0.00 0.00 0.00 178.15 178.84 1h2o h GLU 148 N 0.08 0.87 0.00 2.37 5.08 -1.62 -0.02 114.58 121.35 1h2o h GLU 148 Ca 0.03 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1h2o h GLU 148 Cb 0.70 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1h2o h GLU 148 CO 0.04 0.57 -0.14 1.15 -1.00 0.00 0.00 179.01 179.64 1h2o h THR 149 N 0.89 0.55 -0.17 1.13 2.02 -1.40 -0.09 112.91 115.85 1h2o h THR 149 Ca 0.28 -0.65 -0.03 0.00 0.77 0.00 0.00 66.41 66.77 1h2o h THR 149 Cb -0.01 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 1h2o h THR 149 CO -0.10 0.14 -0.03 0.22 0.37 0.00 0.00 175.52 176.13 1h2o h TYR 150 N 0.00 0.35 0.01 3.16 3.20 -0.01 -0.19 116.97 123.49 1h2o h TYR 150 Ca -0.00 -0.07 -0.21 0.00 3.14 0.00 0.00 58.73 61.59 1h2o h TYR 150 Cb 0.42 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.57 1h2o h TYR 150 CO 0.00 0.57 -1.00 -0.07 -1.64 0.00 0.00 178.16 176.02 1h2o h LEU 151 N 0.04 0.02 -1.06 2.82 3.38 -1.22 0.89 115.31 120.18 1h2o h LEU 151 Ca 0.04 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1h2o h LEU 151 Cb 0.44 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1h2o h LEU 151 CO 0.01 1.00 -0.33 0.50 0.09 0.00 0.00 178.44 179.72 1h2o h LYS 152 N 0.00 0.00 0.00 1.13 3.64 -0.98 -3.23 116.57 117.14 1h2o h LYS 152 Ca -0.02 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.04 1h2o h LYS 152 Cb 1.76 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.52 1h2o h LYS 152 CO 0.13 0.33 -2.22 0.41 -2.27 0.00 0.00 179.45 175.83 1h2o n GLY 153 N 0.11 -0.66 3.17 5.01 0.00 -0.09 -4.77 105.19 107.96 1h2o n GLY 153 Ca -0.00 -0.24 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.43 3.50 -2.00 1.61 3.76 0.31 -4.90 115.29 115.15 1h2o s HIS 154 Ca -0.16 -2.38 0.08 0.00 -0.15 0.00 0.00 55.06 52.46 1h2o s HIS 154 Cb 0.06 -3.40 0.50 0.00 1.11 0.00 0.00 32.58 30.85 1h2o s HIS 154 CO 0.64 -0.91 1.08 -0.35 -0.85 0.00 0.00 174.74 174.35 1h2o n PRO 155 N 3.93 0.70 -0.00 8.40 -0.04 -1.25 -2.53 135.00 144.21 1h2o n PRO 155 Ca 0.06 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.58 1h2o n PRO 155 Cb 0.41 -1.19 0.06 0.00 -0.04 0.00 0.00 33.50 32.74 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 -0.69 2.14 -4.53 3.54 8.00 -1.26 -4.48 116.55 119.27 1h2o n ASP 156 Ca 0.06 -1.57 -0.42 0.00 0.71 0.00 0.00 54.79 53.57 1h2o n ASP 156 Cb 0.03 -0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.09 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 -1.13 2.96 -0.19 2.24 0.00 -1.05 -4.27 121.76 120.33 1h2o s ALA 157 Ca 0.16 -1.36 -0.02 0.00 0.00 0.00 0.00 51.96 50.73 1h2o s ALA 157 Cb 0.11 -4.03 0.02 0.00 0.00 0.00 0.00 23.12 19.23 1h2o s ALA 157 CO 0.17 -2.89 0.06 2.48 0.00 0.00 0.00 175.76 175.58 1h2o n TYR 158 N 8.46 -1.48 -0.76 0.00 4.11 -1.26 -4.96 117.16 121.25 1h2o n TYR 158 Ca 0.02 0.07 0.00 0.00 -0.00 0.00 0.00 57.90 57.99 1h2o n TYR 158 Cb 0.48 -0.87 0.00 0.00 -0.00 0.00 0.00 39.34 38.95 1h2o n TYR 158 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.86 175.15