#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 1.21 0.15 1.61 1.01 -1.26 -3.17 120.40 119.96 1h2o s VAL 2 Ca 0.00 -0.55 -0.09 0.00 0.00 0.00 0.00 61.98 61.34 1h2o s VAL 2 Cb 0.00 -1.08 -0.06 0.00 0.00 0.00 0.00 36.38 35.23 1h2o s VAL 2 CO 0.00 0.37 0.45 -0.36 0.00 0.00 0.00 175.10 175.56 1h2o s PHE 3 N 0.43 3.50 -0.21 5.22 0.40 -0.91 -4.86 117.98 121.55 1h2o s PHE 3 Ca -0.11 0.76 -0.00 0.00 -0.60 0.00 0.00 56.93 56.99 1h2o s PHE 3 Cb -0.14 -2.16 0.05 0.00 0.51 0.00 0.00 43.02 41.29 1h2o s PHE 3 CO 0.03 0.40 -0.04 0.99 0.70 0.00 0.00 175.22 177.31 1h2o s THR 4 N -1.62 1.24 -0.01 0.64 2.01 -1.26 -2.49 115.64 114.15 1h2o s THR 4 Ca 0.41 -0.94 0.07 0.00 0.31 0.00 0.00 61.69 61.53 1h2o s THR 4 Cb -0.13 -1.53 -0.02 0.00 0.01 0.00 0.00 72.50 70.84 1h2o s THR 4 CO 0.21 -0.05 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.56 1h2o s TYR 5 N 1.54 1.94 0.02 4.92 2.02 -0.43 -5.01 117.35 122.34 1h2o s TYR 5 Ca -0.03 -0.37 -0.01 0.00 -0.37 0.00 0.00 57.07 56.30 1h2o s TYR 5 Cb -0.18 -1.24 -0.02 0.00 -0.40 0.00 0.00 41.96 40.12 1h2o s TYR 5 CO -0.07 -0.03 -0.02 -1.83 -1.57 0.00 0.00 175.55 172.03 1h2o s GLU 6 N -0.54 0.36 0.08 -0.62 -1.05 -1.26 -0.89 118.70 114.78 1h2o s GLU 6 Ca 0.08 -0.68 -0.00 0.00 -0.15 0.00 0.00 54.97 54.22 1h2o s GLU 6 Cb -0.08 0.13 -0.04 0.00 -0.44 0.00 0.00 34.13 33.69 1h2o s GLU 6 CO -0.01 -0.06 -0.02 0.45 0.95 0.00 0.00 175.26 176.57 1h2o s SER 7 N -1.65 0.65 -0.12 0.83 0.15 0.55 -4.97 113.70 109.14 1h2o s SER 7 Ca -0.13 -1.04 -0.04 0.00 0.70 0.00 0.00 55.95 55.45 1h2o s SER 7 Cb -0.08 0.18 0.05 0.00 -1.71 0.00 0.00 66.02 64.47 1h2o s SER 7 CO -0.02 -0.59 0.13 -1.61 1.20 0.00 0.00 173.24 172.36 1h2o s GLU 8 N -3.92 0.04 0.17 5.44 2.02 -1.26 -1.85 118.70 119.34 1h2o s GLU 8 Ca 0.11 0.30 0.04 0.00 0.02 0.00 0.00 54.97 55.44 1h2o s GLU 8 Cb 0.07 -0.87 -0.01 0.00 0.10 0.00 0.00 34.13 33.41 1h2o s GLU 8 CO -0.06 -0.46 0.15 1.97 0.02 0.00 0.00 175.26 176.87 1h2o n PHE 9 N 5.31 -0.44 -4.22 1.61 -1.74 -0.84 -4.98 117.46 112.15 1h2o n PHE 9 Ca -0.05 -1.44 -0.13 0.00 -0.56 0.00 0.00 57.45 55.27 1h2o n PHE 9 Cb 0.50 0.16 -0.10 0.00 1.52 0.00 0.00 39.48 41.55 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 -2.70 0.31 0.02 1.97 -4.23 -1.26 0.13 115.64 109.89 1h2o s THR 10 Ca 0.20 -1.97 0.01 0.00 -1.18 0.00 0.00 61.69 58.75 1h2o s THR 10 Cb 0.01 -2.31 -0.02 0.00 1.34 0.00 0.00 72.50 71.52 1h2o s THR 10 CO 0.14 -0.24 -0.04 -0.94 -0.54 0.00 0.00 174.62 173.01 1h2o s SER 11 N -3.17 0.35 0.27 3.99 1.04 0.50 -4.86 113.70 111.83 1h2o s SER 11 Ca 0.31 -0.41 0.05 0.00 0.48 0.00 0.00 55.95 56.38 1h2o s SER 11 Cb 0.07 0.06 0.36 0.00 0.10 0.00 0.00 66.02 66.61 1h2o s SER 11 CO 0.08 -0.21 1.64 -0.33 0.98 0.00 0.00 173.24 175.39 1h2o h GLU 12 N 4.92 0.28 -7.02 4.02 4.39 -1.94 0.87 114.58 120.11 1h2o h GLU 12 Ca -0.31 -0.15 -0.45 0.00 0.34 0.00 0.00 59.36 58.79 1h2o h GLU 12 Cb 1.21 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.85 1h2o h GLU 12 CO 0.43 0.70 0.35 0.42 -1.16 0.00 0.00 179.01 179.74 1h2o s ILE 13 N -4.03 4.29 0.66 3.13 1.09 -1.26 -4.54 121.20 120.54 1h2o s ILE 13 Ca -0.05 1.54 -0.16 0.00 -1.10 0.00 0.00 60.65 60.88 1h2o s ILE 13 Cb 0.13 -3.69 0.00 0.00 -1.06 0.00 0.00 42.46 37.84 1h2o s ILE 13 CO 0.79 -0.20 1.19 -2.16 -0.10 0.00 0.00 174.94 174.46 1h2o s PRO 14 N -2.90 2.59 0.31 2.79 0.04 -1.26 -4.18 135.00 132.39 1h2o s PRO 14 Ca 0.59 1.71 0.01 0.00 0.04 0.00 0.00 61.00 63.36 1h2o s PRO 14 Cb -0.12 -1.89 0.51 0.00 0.04 0.00 0.00 34.50 33.04 1h2o s PRO 14 CO 0.16 -1.48 1.87 -1.00 0.04 0.00 0.00 177.00 176.60 1h2o h PRO 15 N 0.22 0.70 0.00 0.56 0.13 -1.94 -1.95 132.00 129.73 1h2o h PRO 15 Ca -0.49 -0.13 -0.01 0.00 -0.87 0.00 0.00 66.00 64.51 1h2o h PRO 15 Cb 1.29 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1h2o h PRO 15 CO 0.53 0.64 -0.03 -1.00 -0.23 0.00 0.00 178.00 177.91 1h2o h PRO 16 N 0.68 0.00 0.12 1.56 0.13 -1.97 1.29 132.00 133.82 1h2o h PRO 16 Ca 0.15 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.12 1h2o h PRO 16 Cb 0.26 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.41 1h2o h PRO 16 CO -0.00 0.03 -0.73 0.00 -0.23 0.00 0.00 178.00 177.06 1h2o h ARG 17 N 0.00 0.26 -0.15 0.86 2.47 -1.72 -2.75 114.38 113.34 1h2o h ARG 17 Ca -0.00 -0.44 -0.20 0.00 -1.26 0.00 0.00 59.98 58.08 1h2o h ARG 17 Cb 0.21 0.16 0.01 0.00 -1.65 0.00 0.00 29.97 28.71 1h2o h ARG 17 CO 0.00 1.21 -0.70 -0.07 0.56 0.00 0.00 179.97 180.97 1h2o h LEU 18 N -0.45 0.88 0.28 3.04 4.07 -1.16 -2.59 115.31 119.38 1h2o h LEU 18 Ca -0.13 -0.63 0.00 0.00 0.08 0.00 0.00 57.88 57.20 1h2o h LEU 18 Cb 1.56 -0.26 -0.04 0.00 1.08 0.00 0.00 40.66 43.01 1h2o h LEU 18 CO 0.13 1.36 -0.52 0.15 -1.08 0.00 0.00 178.44 178.47 1h2o h PHE 19 N 0.45 -1.49 -0.90 1.13 3.57 0.15 2.52 116.94 122.37 1h2o h PHE 19 Ca -0.04 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.58 1h2o h PHE 19 Cb 1.33 0.61 -0.07 0.00 2.79 0.00 0.00 35.95 40.62 1h2o h PHE 19 CO 0.09 -0.63 0.58 0.87 -2.23 0.00 0.00 178.31 176.99 1h2o h LYS 20 N -0.87 0.88 0.05 1.11 1.57 -1.55 -0.52 116.57 117.25 1h2o h LYS 20 Ca -0.03 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1h2o h LYS 20 Cb 0.81 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1h2o h LYS 20 CO -0.20 0.58 -0.03 0.00 -0.57 0.00 0.00 179.45 179.24 1h2o h ALA 21 N 1.55 -0.09 -0.94 3.86 0.00 -0.86 0.46 119.26 123.24 1h2o h ALA 21 Ca 0.42 -0.02 0.21 0.00 0.00 0.00 0.00 54.91 55.52 1h2o h ALA 21 Cb 0.39 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.09 1h2o h ALA 21 CO -0.18 -0.09 0.49 0.35 0.00 0.00 0.00 179.25 179.82 1h2o h PHE 22 N -0.74 0.84 0.00 0.00 3.57 0.43 1.30 116.94 122.34 1h2o h PHE 22 Ca -0.01 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1h2o h PHE 22 Cb 0.05 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.57 1h2o h PHE 22 CO 0.00 0.06 -0.48 0.28 -2.23 0.00 0.00 178.31 175.94 1h2o n VAL 23 N -4.93 1.00 0.80 1.41 0.31 -0.21 -3.37 118.33 113.34 1h2o n VAL 23 Ca 0.23 0.26 0.07 0.00 -0.01 0.00 0.00 64.34 64.89 1h2o n VAL 23 Cb 0.64 -1.89 0.39 0.00 -0.91 0.00 0.00 33.84 32.07 1h2o n VAL 23 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1h2o n LEU 24 N -3.67 0.00 -0.28 7.52 4.32 -0.55 -3.10 117.00 121.23 1h2o n LEU 24 Ca -0.07 0.05 0.00 0.00 -0.02 0.00 0.00 56.01 55.98 1h2o n LEU 24 Cb 0.25 -0.05 0.00 0.00 -1.62 0.00 0.00 43.42 42.00 1h2o n LEU 24 CO 0.10 -0.03 0.20 -0.67 -1.22 0.00 0.00 177.39 175.77 1h2o n ASP 25 N -1.05 0.00 -0.35 -1.43 -0.08 0.15 -4.84 116.55 108.95 1h2o n ASP 25 Ca 0.09 -1.30 0.02 0.00 -1.51 0.00 0.00 54.79 52.09 1h2o n ASP 25 Cb 0.06 -0.06 0.16 0.00 2.34 0.00 0.00 41.12 43.61 1h2o n ASP 25 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1h2o h ALA 26 N 0.00 1.30 0.00 -1.67 0.00 0.17 1.35 119.26 120.41 1h2o h ALA 26 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1h2o h ALA 26 Cb 1.12 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1h2o h ALA 26 CO 0.00 0.40 0.00 -3.47 0.00 0.00 0.00 179.25 176.18 1h2o n ASP 27 N -4.54 0.18 -0.00 0.00 -0.08 -1.26 -1.82 116.55 109.02 1h2o n ASP 27 Ca 0.14 0.57 0.00 0.00 -1.51 0.00 0.00 54.79 53.99 1h2o n ASP 27 Cb 0.17 -0.60 0.00 0.00 2.34 0.00 0.00 41.12 43.03 1h2o n ASP 27 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1h2o n ASN 28 N -1.72 0.71 -0.12 1.67 3.02 0.74 -4.58 115.26 114.97 1h2o n ASN 28 Ca 0.01 -1.36 -0.26 0.00 -0.03 0.00 0.00 54.58 52.94 1h2o n ASN 28 Cb 0.06 -0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.12 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 -0.18 2.00 0.09 3.41 -0.00 0.43 -4.36 117.00 118.39 1h2o n LEU 29 Ca 0.00 0.34 -0.00 0.00 -0.00 0.00 0.00 56.01 56.35 1h2o n LEU 29 Cb 0.41 -0.90 -0.04 0.00 -0.00 0.00 0.00 43.42 42.90 1h2o n LEU 29 CO 0.00 0.49 0.15 -0.37 -0.00 0.00 0.00 177.39 177.66 1h2o h VAL 30 N -0.90 0.88 0.00 1.96 -1.51 -1.80 -2.30 116.25 112.58 1h2o h VAL 30 Ca -0.55 -2.36 0.00 0.00 -1.23 0.00 0.00 66.70 62.57 1h2o h VAL 30 Cb 1.53 2.37 0.00 0.00 -2.13 0.00 0.00 31.29 33.06 1h2o h VAL 30 CO -0.30 0.50 0.00 -0.81 -1.23 0.00 0.00 177.57 175.73 1h2o n PRO 31 N -3.14 0.84 0.00 5.19 -0.04 -1.26 -1.80 135.00 134.79 1h2o n PRO 31 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1h2o n PRO 31 Cb 0.81 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.92 1h2o n PRO 31 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1h2o n LYS 32 N -0.85 1.07 0.11 0.54 4.81 -1.23 -4.64 118.16 117.96 1h2o n LYS 32 Ca 0.14 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.42 1h2o n LYS 32 Cb 0.07 -0.78 -0.14 0.00 0.02 0.00 0.00 35.03 34.20 1h2o n LYS 32 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1h2o h ILE 33 N 0.00 1.49 -0.91 3.15 2.04 -1.47 -3.44 117.51 118.37 1h2o h ILE 33 Ca 0.00 -3.04 0.03 0.00 1.00 0.00 0.00 64.86 62.85 1h2o h ILE 33 Cb 0.55 2.95 -0.20 0.00 -0.74 0.00 0.00 36.82 39.38 1h2o h ILE 33 CO 0.00 0.89 -0.35 0.00 0.00 0.00 0.00 178.15 178.69 1h2o s ALA 34 N -2.65 -2.61 -2.00 1.87 0.00 -0.75 -4.99 121.76 110.62 1h2o s ALA 34 Ca -0.04 0.91 0.17 0.00 0.00 0.00 0.00 51.96 53.00 1h2o s ALA 34 Cb 0.07 -2.63 1.01 0.00 0.00 0.00 0.00 23.12 21.57 1h2o s ALA 34 CO 0.89 -1.96 1.45 -0.35 0.00 0.00 0.00 175.76 175.79 1h2o n PRO 35 N 5.12 0.68 0.00 0.00 -0.04 -1.19 -2.75 135.00 136.82 1h2o n PRO 35 Ca 0.07 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.66 1h2o n PRO 35 Cb 0.55 -1.39 0.46 0.00 -0.04 0.00 0.00 33.50 33.09 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 -0.89 0.01 -0.12 0.54 6.02 -1.26 -4.00 117.38 117.67 1h2o n GLN 36 Ca 0.13 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.86 1h2o n GLN 36 Cb 0.06 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 29.70 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 -1.51 1.17 -3.72 -1.58 0.00 -1.11 -4.68 120.51 109.09 1h2o n ALA 37 Ca 0.06 -0.98 -0.28 0.00 0.00 0.00 0.00 53.44 52.24 1h2o n ALA 37 Cb 0.34 -0.07 -0.16 0.00 0.00 0.00 0.00 19.45 19.56 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 -2.49 0.51 0.24 0.00 1.09 -1.26 -4.57 121.20 114.72 1h2o s ILE 38 Ca -0.36 -0.67 0.24 0.00 -1.10 0.00 0.00 60.65 58.76 1h2o s ILE 38 Cb 0.12 -1.10 0.24 0.00 -1.06 0.00 0.00 42.46 40.66 1h2o s ILE 38 CO 0.55 -0.31 1.70 0.50 -0.10 0.00 0.00 174.94 177.28 1h2o h LYS 39 N 8.24 0.00 0.00 2.79 3.64 0.33 -3.40 116.57 128.17 1h2o h LYS 39 Ca -0.16 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1h2o h LYS 39 Cb 1.10 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1h2o h LYS 39 CO 0.36 0.00 0.00 1.58 -2.27 0.00 0.00 179.45 179.12 1h2o n HIS 40 N -2.47 0.00 -3.70 1.91 -0.00 -1.06 -4.94 115.22 104.95 1h2o n HIS 40 Ca -0.02 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.56 1h2o n HIS 40 Cb 0.24 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.15 1h2o n HIS 40 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 1h2o s SER 41 N 0.00 -0.31 -0.26 0.26 0.01 -1.26 0.48 113.70 112.61 1h2o s SER 41 Ca 0.00 0.25 -0.03 0.00 1.31 0.00 0.00 55.95 57.48 1h2o s SER 41 Cb 0.00 0.38 0.15 0.00 0.21 0.00 0.00 66.02 66.76 1h2o s SER 41 CO 0.00 -0.48 0.49 -0.70 0.41 0.00 0.00 173.24 172.96 1h2o s GLU 42 N -1.26 0.45 0.30 12.44 2.12 -1.08 -4.98 118.70 126.69 1h2o s GLU 42 Ca -0.13 0.87 -0.29 0.00 0.36 0.00 0.00 54.97 55.77 1h2o s GLU 42 Cb -0.04 0.15 -0.11 0.00 0.26 0.00 0.00 34.13 34.39 1h2o s GLU 42 CO 0.06 -0.54 1.50 0.42 -0.54 0.00 0.00 175.26 176.15 1h2o s ILE 43 N 2.71 2.30 -0.03 -3.70 1.01 -1.26 -1.62 121.20 120.61 1h2o s ILE 43 Ca 0.12 0.27 0.06 0.00 0.00 0.00 0.00 60.65 61.10 1h2o s ILE 43 Cb -0.15 -3.17 -0.09 0.00 0.01 0.00 0.00 42.46 39.07 1h2o s ILE 43 CO -0.18 0.05 0.09 -0.11 0.00 0.00 0.00 174.94 174.79 1h2o n LEU 44 N 1.76 0.00 -4.40 2.97 7.94 0.48 -4.88 117.00 120.87 1h2o n LEU 44 Ca 0.06 0.00 -0.20 0.00 -1.11 0.00 0.00 56.01 54.75 1h2o n LEU 44 Cb 0.39 0.06 -0.10 0.00 0.53 0.00 0.00 43.42 44.30 1h2o n LEU 44 CO 0.62 0.06 -0.43 0.26 -1.11 0.00 0.00 177.39 176.80 1h2o s TRP 45 N -2.31 1.90 0.00 1.96 0.52 -1.05 -4.84 118.94 115.13 1h2o s TRP 45 Ca -0.03 -0.56 0.00 0.00 0.02 0.00 0.00 56.10 55.54 1h2o s TRP 45 Cb 0.03 -0.93 0.00 0.00 -1.15 0.00 0.00 33.47 31.42 1h2o s TRP 45 CO 0.25 0.41 0.00 0.41 0.02 0.00 0.00 176.95 178.05 1h2o n GLY 46 N -0.49 1.45 0.89 0.98 0.00 -1.26 -3.32 105.19 103.43 1h2o n GLY 46 Ca -0.07 -0.29 -0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.58 0.10 0.00 1.61 9.92 -1.26 -4.95 116.55 120.39 1h2o n ASP 47 Ca 0.00 -1.80 0.00 0.00 -0.53 0.00 0.00 54.79 52.46 1h2o n ASP 47 Cb 0.00 -0.09 0.00 0.00 -0.64 0.00 0.00 41.12 40.39 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 0.15 2.24 0.00 0.44 0.00 -1.26 -5.10 105.19 101.66 1h2o n GLY 48 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.21 -2.03 3.71 -0.02 0.00 -1.26 -4.87 105.19 100.51 1h2o n GLY 49 Ca 0.00 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 1h2o n GLY 49 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1h2o s PRO 50 N -2.78 4.39 0.00 1.61 0.04 -1.26 -2.73 135.00 134.27 1h2o s PRO 50 Ca 0.00 1.82 0.00 0.00 0.04 0.00 0.00 61.00 62.86 1h2o s PRO 50 Cb 0.00 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 31.16 1h2o s PRO 50 CO 0.00 -0.34 0.00 0.41 0.04 0.00 0.00 177.00 177.11 1h2o n GLY 51 N 3.32 0.80 3.81 0.56 0.00 0.31 -4.96 105.19 109.03 1h2o n GLY 51 Ca 0.10 0.00 -0.30 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 -2.12 3.26 -0.09 2.61 2.01 -1.10 -4.58 115.64 115.63 1h2o s THR 52 Ca 0.00 0.41 -0.01 0.00 0.31 0.00 0.00 61.69 62.40 1h2o s THR 52 Cb 0.00 -3.16 0.03 0.00 0.01 0.00 0.00 72.50 69.38 1h2o s THR 52 CO 0.00 -0.53 -0.01 -0.63 -0.69 0.00 0.00 174.62 172.76 1h2o s ILE 53 N -3.14 0.53 -0.21 1.82 1.01 -1.21 0.13 121.20 120.13 1h2o s ILE 53 Ca 0.60 -0.04 -0.06 0.00 0.00 0.00 0.00 60.65 61.15 1h2o s ILE 53 Cb -0.14 -0.70 -0.03 0.00 0.01 0.00 0.00 42.46 41.60 1h2o s ILE 53 CO 0.54 0.23 0.04 -0.54 0.00 0.00 0.00 174.94 175.21 1h2o s LYS 54 N 1.90 3.71 -0.77 2.79 1.02 0.74 0.18 119.74 129.31 1h2o s LYS 54 Ca 0.04 -0.47 -0.20 0.00 0.02 0.00 0.00 55.97 55.37 1h2o s LYS 54 Cb -0.13 -3.20 0.11 0.00 -0.52 0.00 0.00 37.83 34.09 1h2o s LYS 54 CO -0.06 -0.00 0.98 0.15 -0.92 0.00 0.00 175.35 175.49 1h2o s LYS 55 N 1.09 3.33 0.24 1.68 1.02 -0.64 -0.97 119.74 125.49 1h2o s LYS 55 Ca 0.03 -1.41 -0.30 0.00 0.02 0.00 0.00 55.97 54.32 1h2o s LYS 55 Cb -0.14 -4.54 -0.09 0.00 -0.52 0.00 0.00 37.83 32.53 1h2o s LYS 55 CO 0.03 -1.72 0.94 0.42 -0.92 0.00 0.00 175.35 174.09 1h2o s ILE 56 N 3.02 4.07 0.05 2.17 1.01 -0.52 -2.63 121.20 128.37 1h2o s ILE 56 Ca 0.24 2.09 0.06 0.00 0.00 0.00 0.00 60.65 63.04 1h2o s ILE 56 Cb -0.13 -4.33 -0.04 0.00 0.01 0.00 0.00 42.46 37.98 1h2o s ILE 56 CO -0.00 0.50 -0.11 0.42 0.00 0.00 0.00 174.94 175.75 1h2o s THR 57 N -1.17 3.33 0.17 2.92 -4.23 0.18 0.40 115.64 117.23 1h2o s THR 57 Ca 0.41 -1.07 0.07 0.00 -1.18 0.00 0.00 61.69 59.92 1h2o s THR 57 Cb -0.26 -2.48 -0.04 0.00 1.34 0.00 0.00 72.50 71.06 1h2o s THR 57 CO 0.32 0.27 0.02 -0.36 -0.54 0.00 0.00 174.62 174.33 1h2o s PHE 58 N -1.06 2.89 -1.65 3.99 0.08 0.73 0.25 117.98 123.21 1h2o s PHE 58 Ca 0.18 -0.12 0.18 0.00 0.12 0.00 0.00 56.93 57.30 1h2o s PHE 58 Cb -0.11 -1.40 -0.01 0.00 -0.57 0.00 0.00 43.02 40.93 1h2o s PHE 58 CO 0.09 0.52 0.93 0.41 -0.10 0.00 0.00 175.22 177.08 1h2o n GLY 59 N -0.17 -0.04 3.87 4.36 0.00 -1.26 -4.26 105.19 107.69 1h2o n GLY 59 Ca -0.09 -0.53 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 1h2o n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1h2o s GLU 60 N -2.13 3.35 0.00 1.61 0.41 -1.26 -4.99 118.70 115.68 1h2o s GLU 60 Ca 0.15 -0.34 0.00 0.00 -0.41 0.00 0.00 54.97 54.37 1h2o s GLU 60 Cb 0.15 -3.05 0.00 0.00 -1.78 0.00 0.00 34.13 29.45 1h2o s GLU 60 CO 0.48 0.68 0.00 0.41 -0.49 0.00 0.00 175.26 176.34 1h2o n GLY 61 N 1.13 3.16 0.27 -1.39 0.00 -1.26 -4.62 105.19 102.48 1h2o n GLY 61 Ca -0.12 -1.31 0.02 0.00 0.00 0.00 0.00 46.02 44.60 1h2o n GLY 61 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1h2o h SER 62 N 0.00 0.46 -2.72 1.61 0.87 -2.02 -3.42 113.55 108.33 1h2o h SER 62 Ca 0.00 0.07 -0.49 0.00 -1.23 0.00 0.00 61.79 60.13 1h2o h SER 62 Cb 0.00 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1h2o h SER 62 CO 0.00 0.25 -0.28 -1.10 -0.53 0.00 0.00 176.83 175.17 1h2o s GLN 63 N -6.05 3.50 0.26 2.24 -0.21 -1.26 -5.02 119.66 113.12 1h2o s GLN 63 Ca -0.13 -0.40 -0.27 0.00 0.02 0.00 0.00 55.36 54.59 1h2o s GLN 63 Cb 0.19 -2.76 -0.16 0.00 1.00 0.00 0.00 33.01 31.28 1h2o s GLN 63 CO 0.76 0.29 0.65 0.98 -2.12 0.00 0.00 175.29 175.85 1h2o n TYR 64 N -1.29 -0.04 -3.64 0.91 4.19 -1.26 -4.94 117.16 111.09 1h2o n TYR 64 Ca -0.05 0.83 -0.29 0.00 3.31 0.00 0.00 57.90 61.69 1h2o n TYR 64 Cb 0.55 -2.04 -0.13 0.00 0.49 0.00 0.00 39.34 38.21 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 -0.86 1.42 0.25 2.98 0.00 -1.26 -5.01 107.32 104.85 1h2o s GLY 65 Ca 0.62 -2.36 0.04 0.00 0.00 0.00 0.00 44.72 43.02 1h2o s GLY 65 CO 0.58 1.70 0.01 -2.52 0.00 0.00 0.00 173.10 172.86 1h2o s TYR 66 N 0.60 1.67 0.28 1.90 -0.85 -1.26 0.26 117.35 119.94 1h2o s TYR 66 Ca 0.17 -0.92 0.04 0.00 -0.52 0.00 0.00 57.07 55.84 1h2o s TYR 66 Cb -0.24 -0.99 -0.03 0.00 0.38 0.00 0.00 41.96 41.08 1h2o s TYR 66 CO -0.00 -0.02 0.22 0.14 -1.52 0.00 0.00 175.55 174.37 1h2o s VAL 67 N -3.38 0.00 -0.28 -3.49 -7.23 0.16 -4.27 120.40 101.91 1h2o s VAL 67 Ca 0.31 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.47 1h2o s VAL 67 Cb 0.06 -2.50 0.09 0.00 0.56 0.00 0.00 36.38 34.59 1h2o s VAL 67 CO 0.11 0.00 0.07 -0.75 -0.31 0.00 0.00 175.10 174.21 1h2o s LYS 68 N -3.72 0.84 -0.26 4.82 2.20 -0.92 -1.44 119.74 121.26 1h2o s LYS 68 Ca 0.40 -0.98 -0.13 0.00 -0.36 0.00 0.00 55.97 54.91 1h2o s LYS 68 Cb 0.04 -2.14 -0.05 0.00 -1.51 0.00 0.00 37.83 34.18 1h2o s LYS 68 CO 0.22 -0.87 0.26 -1.01 -0.36 0.00 0.00 175.35 173.58 1h2o s HIS 69 N 1.60 3.27 -0.25 4.03 3.76 -0.14 -2.13 115.29 125.43 1h2o s HIS 69 Ca 0.06 0.28 -0.19 0.00 -0.15 0.00 0.00 55.06 55.06 1h2o s HIS 69 Cb -0.17 -2.42 -0.02 0.00 1.11 0.00 0.00 32.58 31.07 1h2o s HIS 69 CO -0.19 -0.11 0.55 0.21 -0.85 0.00 0.00 174.74 174.35 1h2o s LYS 70 N 1.63 4.09 0.14 1.40 2.20 0.35 -0.19 119.74 129.36 1h2o s LYS 70 Ca 0.11 0.40 -0.32 0.00 -0.36 0.00 0.00 55.97 55.80 1h2o s LYS 70 Cb -0.15 -3.64 -0.12 0.00 -1.51 0.00 0.00 37.83 32.41 1h2o s LYS 70 CO 0.09 -0.35 1.77 -0.89 -0.36 0.00 0.00 175.35 175.60 1h2o n ILE 71 N 5.12 0.23 -0.13 5.43 2.08 0.35 0.36 119.36 132.80 1h2o n ILE 71 Ca -0.03 -0.04 -0.26 0.00 0.56 0.00 0.00 62.75 62.97 1h2o n ILE 71 Cb 0.50 -1.97 -0.09 0.00 -0.75 0.00 0.00 39.64 37.32 1h2o n ILE 71 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1h2o n ASP 72 N 4.91 1.94 -3.63 4.38 8.00 0.13 0.11 116.55 132.39 1h2o n ASP 72 Ca 0.18 0.36 -0.03 0.00 0.71 0.00 0.00 54.79 56.01 1h2o n ASP 72 Cb 0.35 -0.83 -0.02 0.00 -0.02 0.00 0.00 41.12 40.59 1h2o n ASP 72 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1h2o s SER 73 N -7.24 -0.04 0.18 -2.24 1.04 -0.55 -4.56 113.70 100.28 1h2o s SER 73 Ca -0.36 0.00 -0.06 0.00 0.48 0.00 0.00 55.95 56.02 1h2o s SER 73 Cb 0.12 0.05 -0.02 0.00 0.10 0.00 0.00 66.02 66.27 1h2o s SER 73 CO 0.49 -0.07 0.22 -0.51 0.98 0.00 0.00 173.24 174.35 1h2o s ILE 74 N -2.05 0.05 -0.53 -1.02 2.07 -1.26 0.45 121.20 118.90 1h2o s ILE 74 Ca 0.11 -1.68 0.04 0.00 -1.41 0.00 0.00 60.65 57.71 1h2o s ILE 74 Cb -0.01 -2.13 0.17 0.00 0.13 0.00 0.00 42.46 40.62 1h2o s ILE 74 CO -0.03 -0.21 0.39 -1.81 -1.91 0.00 0.00 174.94 171.37 1h2o s ASP 75 N -3.05 2.99 0.30 4.50 1.01 0.49 -4.88 116.67 118.04 1h2o s ASP 75 Ca 0.26 -3.34 0.16 0.00 0.71 0.00 0.00 52.55 50.34 1h2o s ASP 75 Cb 0.05 -0.96 0.89 0.00 1.01 0.00 0.00 42.92 43.90 1h2o s ASP 75 CO 0.05 -0.15 1.45 1.17 0.21 0.00 0.00 175.17 177.90 1h2o n LYS 76 N 2.57 0.11 -0.02 8.23 4.81 -1.26 0.31 118.16 132.89 1h2o n LYS 76 Ca 0.24 0.59 -0.09 0.00 -0.87 0.00 0.00 58.31 58.18 1h2o n LYS 76 Cb 0.41 -2.00 -0.14 0.00 0.02 0.00 0.00 35.03 33.32 1h2o n LYS 76 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1h2o n GLU 77 N -2.11 0.64 0.00 1.64 1.02 -1.26 -4.20 120.64 116.36 1h2o n GLU 77 Ca -0.01 0.28 0.04 0.00 -0.02 0.00 0.00 57.16 57.45 1h2o n GLU 77 Cb 0.17 -1.78 0.02 0.00 -0.02 0.00 0.00 31.44 29.84 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 -3.05 1.48 -2.84 1.62 3.02 0.37 -5.00 115.26 110.85 1h2o n ASN 78 Ca -0.18 -1.24 -0.13 0.00 -0.03 0.00 0.00 54.58 53.00 1h2o n ASN 78 Cb 1.06 0.14 0.07 0.00 -0.61 0.00 0.00 39.78 40.44 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 0.22 -1.66 -4.38 3.10 4.01 0.90 -4.05 117.16 115.30 1h2o n TYR 79 Ca 0.04 0.71 -0.28 0.00 -0.16 0.00 0.00 57.90 58.22 1h2o n TYR 79 Cb 0.19 -4.34 -0.12 0.00 -0.31 0.00 0.00 39.34 34.77 1h2o n TYR 79 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1h2o s SER 80 N -4.03 3.61 -0.14 7.72 0.01 -0.97 -0.11 113.70 119.79 1h2o s SER 80 Ca 0.00 -0.74 -0.14 0.00 1.31 0.00 0.00 55.95 56.38 1h2o s SER 80 Cb -0.00 -0.37 0.04 0.00 0.21 0.00 0.00 66.02 65.90 1h2o s SER 80 CO 0.55 0.14 0.39 -0.47 0.41 0.00 0.00 173.24 174.27 1h2o s TYR 81 N -1.45 -0.42 -0.03 2.43 5.04 0.18 0.18 117.35 123.29 1h2o s TYR 81 Ca 0.19 1.01 -0.12 0.00 -2.44 0.00 0.00 57.07 55.72 1h2o s TYR 81 Cb -0.09 0.15 0.02 0.00 0.35 0.00 0.00 41.96 42.39 1h2o s TYR 81 CO 0.10 -0.23 0.26 -1.12 -1.34 0.00 0.00 175.55 173.22 1h2o s SER 82 N 0.08 -0.15 0.31 4.32 0.01 0.17 0.25 113.70 118.69 1h2o s SER 82 Ca -0.01 0.12 -0.07 0.00 1.31 0.00 0.00 55.95 57.30 1h2o s SER 82 Cb -0.03 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.55 1h2o s SER 82 CO 0.01 -0.34 0.49 -0.72 0.41 0.00 0.00 173.24 173.08 1h2o s TYR 83 N -1.00 0.78 -0.09 2.43 1.13 0.18 -0.69 117.35 120.09 1h2o s TYR 83 Ca -0.11 -1.09 0.02 0.00 -1.41 0.00 0.00 57.07 54.49 1h2o s TYR 83 Cb -0.05 0.06 0.01 0.00 -1.10 0.00 0.00 41.96 40.88 1h2o s TYR 83 CO 0.03 -1.11 -0.16 0.99 -2.51 0.00 0.00 175.55 172.79 1h2o s THR 84 N -3.32 1.47 -0.17 -3.49 2.01 0.16 0.66 115.64 112.95 1h2o s THR 84 Ca 0.27 -0.65 -0.11 0.00 0.31 0.00 0.00 61.69 61.51 1h2o s THR 84 Cb -0.01 -1.32 -0.05 0.00 0.01 0.00 0.00 72.50 71.14 1h2o s THR 84 CO 0.16 0.43 0.18 -0.22 -0.69 0.00 0.00 174.62 174.48 1h2o s LEU 85 N 0.73 4.25 -0.03 4.42 2.96 -0.39 0.13 118.68 130.76 1h2o s LEU 85 Ca -0.12 0.36 0.03 0.00 -0.22 0.00 0.00 54.13 54.17 1h2o s LEU 85 Cb -0.16 -2.18 -0.04 0.00 0.50 0.00 0.00 46.19 44.32 1h2o s LEU 85 CO 0.03 0.19 0.01 2.30 -1.32 0.00 0.00 176.35 177.56 1h2o n ILE 86 N 3.28 0.19 -4.61 6.68 -5.35 -0.90 -0.67 119.36 117.98 1h2o n ILE 86 Ca -0.15 -0.12 -0.34 0.00 -0.27 0.00 0.00 62.75 61.87 1h2o n ILE 86 Cb 0.52 -0.86 -0.11 0.00 -1.74 0.00 0.00 39.64 37.45 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 -2.08 2.85 0.00 6.28 2.12 -1.25 -4.82 118.70 121.81 1h2o s GLU 87 Ca -0.01 -0.55 0.00 0.00 0.36 0.00 0.00 54.97 54.77 1h2o s GLU 87 Cb 0.01 -2.62 0.00 0.00 0.26 0.00 0.00 34.13 31.78 1h2o s GLU 87 CO 0.12 0.61 0.00 0.41 -0.54 0.00 0.00 175.26 175.86 1h2o n GLY 88 N 2.38 1.56 0.41 -1.50 0.00 -1.26 -2.16 105.19 104.61 1h2o n GLY 88 Ca -0.18 0.18 0.22 0.00 0.00 0.00 0.00 46.02 46.24 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 0.11 -0.28 1.61 3.32 -1.95 0.15 116.42 119.37 1h2o h ASP 89 Ca 0.00 0.01 -0.15 0.00 0.02 0.00 0.00 57.03 56.91 1h2o h ASP 89 Cb 0.00 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1h2o h ASP 89 CO 0.00 0.05 -0.39 0.00 -1.72 0.00 0.00 179.24 177.18 1h2o h ALA 90 N 1.66 0.65 -0.73 3.45 0.00 -1.95 -3.27 119.26 119.07 1h2o h ALA 90 Ca 0.34 -0.45 0.07 0.00 0.00 0.00 0.00 54.91 54.87 1h2o h ALA 90 Cb 1.19 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.77 1h2o h ALA 90 CO -0.04 0.67 -0.48 -0.07 0.00 0.00 0.00 179.25 179.33 1h2o h LEU 91 N 0.68 -1.75 0.00 0.00 3.38 -1.22 -3.42 115.31 112.98 1h2o h LEU 91 Ca 0.05 0.26 0.15 0.00 0.09 0.00 0.00 57.88 58.43 1h2o h LEU 91 Cb 0.96 0.76 -0.04 0.00 0.09 0.00 0.00 40.66 42.44 1h2o h LEU 91 CO 0.09 -0.22 -0.19 0.61 0.09 0.00 0.00 178.44 178.82 1h2o n GLY 92 N -1.23 -0.78 0.00 0.83 0.00 -1.24 0.08 105.19 102.86 1h2o n GLY 92 Ca 0.01 -0.51 0.05 0.00 0.00 0.00 0.00 46.02 45.57 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 -4.24 0.00 -0.04 1.61 8.00 -1.26 -3.23 116.55 117.38 1h2o n ASP 93 Ca 0.00 0.29 -0.00 0.00 0.71 0.00 0.00 54.79 55.79 1h2o n ASP 93 Cb 0.25 -0.37 -0.00 0.00 -0.02 0.00 0.00 41.12 40.97 1h2o n ASP 93 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1h2o h THR 94 N 0.00 0.00 -2.24 -3.53 1.35 -1.86 -3.43 112.91 103.20 1h2o h THR 94 Ca 0.00 -0.90 -0.49 0.00 -0.55 0.00 0.00 66.41 64.47 1h2o h THR 94 Cb 0.13 0.00 -0.03 0.00 -1.73 0.00 0.00 68.15 66.52 1h2o h THR 94 CO 0.00 0.00 -0.47 -0.22 -0.25 0.00 0.00 175.52 174.58 1h2o s LEU 95 N -8.11 4.13 0.00 3.87 2.96 0.11 -2.90 118.68 118.74 1h2o s LEU 95 Ca -0.00 -0.04 0.00 0.00 -0.22 0.00 0.00 54.13 53.87 1h2o s LEU 95 Cb 0.00 -2.67 0.00 0.00 0.50 0.00 0.00 46.19 44.02 1h2o s LEU 95 CO 0.00 -0.04 0.00 1.21 -1.32 0.00 0.00 176.35 176.20 1h2o n GLU 96 N -1.22 0.00 -2.80 1.98 2.13 -0.81 -4.01 120.64 115.91 1h2o n GLU 96 Ca -0.08 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.37 1h2o n GLU 96 Cb 0.57 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.21 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 -0.03 4.54 0.02 5.31 1.02 -0.95 -4.58 119.74 125.07 1h2o s LYS 97 Ca 0.00 1.29 0.03 0.00 0.02 0.00 0.00 55.97 57.32 1h2o s LYS 97 Cb 0.00 -2.76 -0.02 0.00 -0.52 0.00 0.00 37.83 34.54 1h2o s LYS 97 CO 0.00 0.26 -0.10 0.42 -0.92 0.00 0.00 175.35 175.01 1h2o s ILE 98 N -1.66 0.77 -0.10 2.17 -1.09 0.16 0.29 121.20 121.75 1h2o s ILE 98 Ca 0.51 -0.77 0.03 0.00 -2.23 0.00 0.00 60.65 58.19 1h2o s ILE 98 Cb -0.18 -0.72 0.01 0.00 -1.58 0.00 0.00 42.46 39.99 1h2o s ILE 98 CO 0.23 -0.03 -0.18 -0.44 -1.23 0.00 0.00 174.94 173.29 1h2o s SER 99 N -0.89 2.56 -0.06 3.58 0.01 -0.73 -1.26 113.70 116.91 1h2o s SER 99 Ca -0.01 -0.46 0.04 0.00 1.31 0.00 0.00 55.95 56.84 1h2o s SER 99 Cb -0.07 -1.16 -0.00 0.00 0.21 0.00 0.00 66.02 65.00 1h2o s SER 99 CO 0.00 0.07 -0.20 -0.31 0.41 0.00 0.00 173.24 173.21 1h2o s TYR 100 N 0.71 2.05 -0.01 2.43 2.02 0.21 0.88 117.35 125.63 1h2o s TYR 100 Ca -0.12 -0.68 0.02 0.00 -0.37 0.00 0.00 57.07 55.92 1h2o s TYR 100 Cb -0.16 -1.38 0.00 0.00 -0.40 0.00 0.00 41.96 40.03 1h2o s TYR 100 CO 0.03 -0.25 -0.05 -2.00 -1.57 0.00 0.00 175.55 171.71 1h2o s GLU 101 N 0.14 0.51 0.03 -0.62 2.12 0.44 0.49 118.70 121.81 1h2o s GLU 101 Ca -0.09 -0.16 0.02 0.00 0.36 0.00 0.00 54.97 55.10 1h2o s GLU 101 Cb -0.14 -0.51 -0.02 0.00 0.26 0.00 0.00 34.13 33.72 1h2o s GLU 101 CO 0.04 0.07 -0.08 0.99 -0.54 0.00 0.00 175.26 175.74 1h2o s THR 102 N 0.14 0.57 -0.00 -1.70 2.01 0.70 0.14 115.64 117.49 1h2o s THR 102 Ca -0.01 -0.81 0.00 0.00 0.31 0.00 0.00 61.69 61.18 1h2o s THR 102 Cb -0.05 -0.58 0.00 0.00 0.01 0.00 0.00 72.50 71.88 1h2o s THR 102 CO -0.00 -0.18 -0.01 -0.54 -0.69 0.00 0.00 174.62 173.19 1h2o s LYS 103 N -1.08 0.11 0.19 4.92 1.02 0.71 0.52 119.74 126.12 1h2o s LYS 103 Ca -0.05 -0.04 0.11 0.00 0.02 0.00 0.00 55.97 56.01 1h2o s LYS 103 Cb -0.07 -0.12 -0.04 0.00 -0.52 0.00 0.00 37.83 37.07 1h2o s LYS 103 CO 0.00 0.02 -0.21 -0.51 -0.92 0.00 0.00 175.35 173.74 1h2o s LEU 104 N 0.02 2.56 0.00 3.17 1.43 0.84 0.23 118.68 126.92 1h2o s LEU 104 Ca 0.00 -0.80 0.00 0.00 -1.03 0.00 0.00 54.13 52.30 1h2o s LEU 104 Cb -0.01 -1.29 0.00 0.00 0.03 0.00 0.00 46.19 44.92 1h2o s LEU 104 CO -0.00 0.12 0.00 0.52 0.23 0.00 0.00 176.35 177.22 1h2o n VAL 105 N 0.22 0.00 -4.43 -1.59 0.31 0.65 -4.58 118.33 108.91 1h2o n VAL 105 Ca -0.12 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 63.97 1h2o n VAL 105 Cb 0.56 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.38 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 -1.38 2.53 0.39 3.52 0.00 -1.26 -1.04 121.76 124.51 1h2o s ALA 106 Ca 0.00 -1.77 0.08 0.00 0.00 0.00 0.00 51.96 50.27 1h2o s ALA 106 Cb 0.00 -0.24 -0.07 0.00 0.00 0.00 0.00 23.12 22.81 1h2o s ALA 106 CO 0.00 0.27 0.03 -1.54 0.00 0.00 0.00 175.76 174.52 1h2o s SER 107 N -3.25 4.02 0.14 0.00 1.04 -0.17 -4.42 113.70 111.06 1h2o s SER 107 Ca 0.26 -1.21 0.22 0.00 0.48 0.00 0.00 55.95 55.70 1h2o s SER 107 Cb -0.05 -0.43 0.87 0.00 0.10 0.00 0.00 66.02 66.51 1h2o s SER 107 CO 0.12 -0.38 1.66 -0.81 0.98 0.00 0.00 173.24 174.81 1h2o n PRO 108 N -0.99 0.12 -0.08 4.02 -0.04 -1.26 -2.32 135.00 134.45 1h2o n PRO 108 Ca -0.04 0.29 0.12 0.00 -0.04 0.00 0.00 63.50 63.83 1h2o n PRO 108 Cb 0.65 -1.70 0.27 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 -1.92 2.58 0.00 3.54 3.41 -1.26 -4.92 113.62 115.05 1h2o n SER 109 Ca 0.04 -1.85 0.00 0.00 -0.26 0.00 0.00 58.87 56.80 1h2o n SER 109 Cb 0.25 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 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 1.32 3.03 0.84 5.00 0.00 -0.98 -5.04 105.19 109.36 1h2o n GLY 110 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.19 -3.40 2.96 -0.02 0.00 -1.26 -4.63 105.19 98.65 1h2o n GLY 111 Ca 0.00 -1.31 -0.20 0.00 0.00 0.00 0.00 46.02 44.51 1h2o n GLY 111 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1h2o s SER 112 N -2.28 1.06 0.22 1.61 0.01 0.30 -1.00 113.70 113.62 1h2o s SER 112 Ca 0.18 -0.16 -0.19 0.00 1.31 0.00 0.00 55.95 57.08 1h2o s SER 112 Cb -0.03 -0.37 -0.08 0.00 0.21 0.00 0.00 66.02 65.75 1h2o s SER 112 CO 0.14 0.02 0.71 -0.63 0.41 0.00 0.00 173.24 173.89 1h2o s ILE 113 N 0.45 4.59 -0.17 1.44 1.01 -0.21 0.19 121.20 128.51 1h2o s ILE 113 Ca -0.07 1.24 -0.01 0.00 0.00 0.00 0.00 60.65 61.81 1h2o s ILE 113 Cb -0.11 -3.84 0.05 0.00 0.01 0.00 0.00 42.46 38.57 1h2o s ILE 113 CO 0.01 0.20 -0.02 -0.63 0.00 0.00 0.00 174.94 174.49 1h2o s ILE 114 N -1.53 0.90 -0.27 2.92 1.01 0.35 0.24 121.20 124.81 1h2o s ILE 114 Ca 0.43 -0.57 -0.11 0.00 0.00 0.00 0.00 60.65 60.40 1h2o s ILE 114 Cb -0.16 -1.17 -0.05 0.00 0.01 0.00 0.00 42.46 41.09 1h2o s ILE 114 CO 0.21 0.04 0.18 -0.75 0.00 0.00 0.00 174.94 174.61 1h2o s LYS 115 N 1.71 3.95 0.19 2.79 2.20 0.61 -1.98 119.74 129.22 1h2o s LYS 115 Ca 0.00 -0.32 0.10 0.00 -0.36 0.00 0.00 55.97 55.38 1h2o s LYS 115 Cb -0.16 -3.62 -0.04 0.00 -1.51 0.00 0.00 37.83 32.51 1h2o s LYS 115 CO -0.07 -0.14 -0.13 0.45 -0.36 0.00 0.00 175.35 175.09 1h2o s SER 116 N 1.64 4.03 -0.24 1.43 0.15 -0.77 0.25 113.70 120.20 1h2o s SER 116 Ca 0.07 -0.67 -0.15 0.00 0.70 0.00 0.00 55.95 55.90 1h2o s SER 116 Cb -0.16 -0.59 0.07 0.00 -1.71 0.00 0.00 66.02 63.63 1h2o s SER 116 CO 0.09 0.10 0.59 -0.89 1.20 0.00 0.00 173.24 174.33 1h2o s THR 117 N -1.76 -0.01 0.10 6.45 2.01 0.36 -0.33 115.64 122.46 1h2o s THR 117 Ca 0.24 0.03 0.04 0.00 0.31 0.00 0.00 61.69 62.31 1h2o s THR 117 Cb -0.08 -0.85 -0.04 0.00 0.01 0.00 0.00 72.50 71.54 1h2o s THR 117 CO 0.14 0.01 -0.10 -0.94 -0.69 0.00 0.00 174.62 173.04 1h2o s SER 118 N 1.35 1.51 0.16 3.53 1.04 -0.06 0.17 113.70 121.39 1h2o s SER 118 Ca -0.08 -0.84 0.01 0.00 0.48 0.00 0.00 55.95 55.53 1h2o s SER 118 Cb -0.06 0.00 -0.04 0.00 0.10 0.00 0.00 66.02 66.02 1h2o s SER 118 CO -0.14 -0.27 0.01 -1.00 0.98 0.00 0.00 173.24 172.82 1h2o s HIS 119 N -2.53 1.13 0.09 5.02 3.76 0.25 -1.32 115.29 121.69 1h2o s HIS 119 Ca 0.07 -1.05 0.08 0.00 -0.15 0.00 0.00 55.06 54.01 1h2o s HIS 119 Cb -0.02 -0.64 -0.03 0.00 1.11 0.00 0.00 32.58 32.99 1h2o s HIS 119 CO 0.00 -0.26 -0.21 0.71 -0.85 0.00 0.00 174.74 174.13 1h2o s TYR 120 N -3.73 1.81 -0.50 1.40 1.51 -1.04 -1.77 117.35 115.04 1h2o s TYR 120 Ca 0.23 -0.40 0.03 0.00 -1.01 0.00 0.00 57.07 55.92 1h2o s TYR 120 Cb 0.06 -1.02 0.15 0.00 -0.11 0.00 0.00 41.96 41.05 1h2o s TYR 120 CO 0.03 0.18 0.32 -1.01 -1.11 0.00 0.00 175.55 173.96 1h2o s HIS 121 N -1.05 2.22 0.54 2.71 3.76 0.15 -2.14 115.29 121.48 1h2o s HIS 121 Ca 0.07 -2.65 -0.12 0.00 -0.15 0.00 0.00 55.06 52.21 1h2o s HIS 121 Cb -0.10 -1.91 -0.05 0.00 1.11 0.00 0.00 32.58 31.63 1h2o s HIS 121 CO 0.04 -0.73 0.95 0.95 -0.85 0.00 0.00 174.74 175.10 1h2o s THR 122 N -0.18 4.69 -0.16 1.30 -4.23 -1.19 -1.93 115.64 113.95 1h2o s THR 122 Ca 0.23 0.85 -0.01 0.00 -1.18 0.00 0.00 61.69 61.58 1h2o s THR 122 Cb -0.13 -3.81 -0.01 0.00 1.34 0.00 0.00 72.50 69.89 1h2o s THR 122 CO -0.08 -0.90 -0.11 -0.75 -0.54 0.00 0.00 174.62 172.24 1h2o s LYS 123 N -4.63 3.38 0.07 3.99 2.20 -1.14 -4.86 119.74 118.75 1h2o s LYS 123 Ca 0.55 -0.67 0.00 0.00 -0.36 0.00 0.00 55.97 55.49 1h2o s LYS 123 Cb -0.10 -2.73 0.00 0.00 -1.51 0.00 0.00 37.83 33.48 1h2o s LYS 123 CO 0.43 0.10 0.00 0.41 -0.36 0.00 0.00 175.35 175.93 1h2o n GLY 124 N 3.89 -0.63 2.78 5.54 0.00 -1.26 -4.57 105.19 110.93 1h2o n GLY 124 Ca -0.18 -1.86 -0.40 0.00 0.00 0.00 0.00 46.02 43.58 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 0.02 6.57 -4.21 1.61 5.15 -1.26 -4.99 115.26 118.15 1h2o n ASN 125 Ca 0.00 -3.58 -0.17 0.00 -0.60 0.00 0.00 54.58 50.23 1h2o n ASN 125 Cb 0.00 -1.12 -0.11 0.00 -0.53 0.00 0.00 39.78 38.02 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 -3.70 1.19 0.12 3.44 -7.23 -1.26 -5.16 120.40 107.80 1h2o s VAL 126 Ca 0.37 -1.65 0.03 0.00 -1.81 0.00 0.00 61.98 58.92 1h2o s VAL 126 Cb 0.15 -1.43 -0.04 0.00 0.56 0.00 0.00 36.38 35.61 1h2o s VAL 126 CO -0.04 -0.44 -0.09 -1.61 -0.31 0.00 0.00 175.10 172.62 1h2o s GLU 127 N -2.61 0.93 0.85 4.82 2.02 -1.26 -4.85 118.70 118.61 1h2o s GLU 127 Ca 0.07 -1.36 -0.13 0.00 0.02 0.00 0.00 54.97 53.57 1h2o s GLU 127 Cb -0.05 -0.43 0.12 0.00 0.10 0.00 0.00 34.13 33.88 1h2o s GLU 127 CO 0.02 0.04 1.21 0.42 0.02 0.00 0.00 175.26 176.97 1h2o s ILE 128 N -3.33 2.03 -0.14 -1.63 1.09 -1.26 -5.01 121.20 112.95 1h2o s ILE 128 Ca 0.13 -0.04 -0.03 0.00 -1.10 0.00 0.00 60.65 59.61 1h2o s ILE 128 Cb 0.03 -2.99 -0.03 0.00 -1.06 0.00 0.00 42.46 38.41 1h2o s ILE 128 CO -0.02 0.00 -0.02 -0.54 -0.10 0.00 0.00 174.94 174.26 1h2o s LYS 129 N -5.65 3.48 0.24 2.79 1.02 -1.26 -5.00 119.74 115.36 1h2o s LYS 129 Ca 0.66 -0.48 -0.08 0.00 0.02 0.00 0.00 55.97 56.09 1h2o s LYS 129 Cb -0.08 -2.89 0.41 0.00 -0.52 0.00 0.00 37.83 34.75 1h2o s LYS 129 CO 0.50 0.38 1.64 0.93 -0.92 0.00 0.00 175.35 177.88 1h2o h GLU 130 N 6.25 0.11 -0.78 1.68 5.08 -1.98 0.83 114.58 125.77 1h2o h GLU 130 Ca -0.37 -0.01 0.22 0.00 -1.00 0.00 0.00 59.36 58.21 1h2o h GLU 130 Cb 1.19 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.38 1h2o h GLU 130 CO 0.61 0.07 0.62 1.49 -1.00 0.00 0.00 179.01 180.80 1h2o h GLU 131 N 0.11 0.00 0.01 2.33 4.81 -1.96 1.48 114.58 121.37 1h2o h GLU 131 Ca 0.39 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.62 1h2o h GLU 131 Cb 0.68 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.06 1h2o h GLU 131 CO -0.63 0.00 -0.01 1.25 -0.73 0.00 0.00 179.01 178.89 1h2o h HIS 132 N 0.00 -0.02 -0.56 0.92 2.76 0.26 -2.05 115.15 116.47 1h2o h HIS 132 Ca 0.37 -0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.46 1h2o h HIS 132 Cb 1.61 0.01 -0.02 0.00 1.55 0.00 0.00 27.41 30.55 1h2o h HIS 132 CO 0.00 -0.01 0.02 -0.24 -1.30 0.00 0.00 177.93 176.40 1h2o h VAL 133 N -0.94 1.26 -0.12 5.26 3.04 -0.90 -2.08 116.25 121.77 1h2o h VAL 133 Ca -0.00 -1.07 -0.04 0.00 -1.01 0.00 0.00 66.70 64.58 1h2o h VAL 133 Cb 0.01 0.81 -0.00 0.00 -2.01 0.00 0.00 31.29 30.10 1h2o h VAL 133 CO 0.00 0.39 -0.07 0.50 -1.01 0.00 0.00 177.57 177.37 1h2o h LYS 134 N 0.88 0.26 0.00 4.17 3.64 0.19 -2.91 116.57 122.81 1h2o h LYS 134 Ca 0.17 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1h2o h LYS 134 Cb 0.49 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1h2o h LYS 134 CO 0.02 0.62 -0.05 0.00 -2.27 0.00 0.00 179.45 177.77 1h2o h ALA 135 N 0.63 1.62 0.00 5.00 0.00 -1.29 -0.94 119.26 124.28 1h2o h ALA 135 Ca 0.03 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1h2o h ALA 135 Cb 0.55 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1h2o h ALA 135 CO 0.02 0.06 -0.42 0.78 0.00 0.00 0.00 179.25 179.69 1h2o h GLY 136 N 0.24 0.00 1.13 0.00 0.00 -1.18 -2.02 103.07 101.23 1h2o h GLY 136 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 1h2o h GLY 136 CO 0.01 0.00 -0.36 0.50 0.00 0.00 0.00 176.54 176.68 1h2o h LYS 137 N 0.00 0.96 -0.02 4.80 1.57 -1.06 -2.01 116.57 120.80 1h2o h LYS 137 Ca -0.00 -0.49 -0.21 0.00 -1.87 0.00 0.00 60.65 58.08 1h2o h LYS 137 Cb 0.84 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.16 1h2o h LYS 137 CO 0.05 1.15 -0.86 1.49 -0.57 0.00 0.00 179.45 180.72 1h2o h GLU 138 N 0.79 0.36 -0.15 3.15 4.81 -1.49 -2.54 114.58 119.50 1h2o h GLU 138 Ca 0.07 -0.35 -0.10 0.00 -0.13 0.00 0.00 59.36 58.85 1h2o h GLU 138 Cb 0.96 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 1h2o h GLU 138 CO 0.09 1.03 -0.33 0.87 -0.73 0.00 0.00 179.01 179.94 1h2o h LYS 139 N 0.21 0.29 -0.04 1.92 1.57 -1.31 -2.21 116.57 117.00 1h2o h LYS 139 Ca -0.06 -0.12 -0.12 0.00 -1.87 0.00 0.00 60.65 58.48 1h2o h LYS 139 Cb 1.48 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.78 1h2o h LYS 139 CO 0.14 0.59 -0.46 0.00 -0.57 0.00 0.00 179.45 179.16 1h2o h ALA 140 N 1.40 0.11 -0.88 3.86 0.00 -1.32 -3.05 119.26 119.38 1h2o h ALA 140 Ca 0.03 -0.51 0.02 0.00 0.00 0.00 0.00 54.91 54.45 1h2o h ALA 140 Cb 0.71 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 1h2o h ALA 140 CO 0.05 0.27 0.58 0.77 0.00 0.00 0.00 179.25 180.93 1h2o h SER 141 N -0.13 0.98 -0.74 0.00 0.02 -1.38 -2.01 113.55 110.29 1h2o h SER 141 Ca -0.05 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 1h2o h SER 141 Cb 1.14 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 63.41 1h2o h SER 141 CO 0.09 0.70 0.41 0.78 -1.14 0.00 0.00 176.83 177.67 1h2o h ASN 142 N 1.15 0.93 -0.83 3.07 2.35 -1.42 -2.40 115.58 118.42 1h2o h ASN 142 Ca 0.33 -0.09 0.01 0.00 -0.55 0.00 0.00 56.30 56.00 1h2o h ASN 142 Cb -0.07 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.02 1h2o h ASN 142 CO -0.08 0.75 0.55 -0.07 -1.65 0.00 0.00 177.43 176.93 1h2o h LEU 143 N 1.03 0.96 -1.28 1.61 3.38 -1.26 -1.78 115.31 117.97 1h2o h LEU 143 Ca 0.26 -0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.28 1h2o h LEU 143 Cb 0.03 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.48 1h2o h LEU 143 CO -0.04 0.70 0.54 -0.26 0.09 0.00 0.00 178.44 179.46 1h2o h PHE 144 N 1.13 0.88 0.00 1.13 0.04 -1.07 0.12 116.94 119.17 1h2o h PHE 144 Ca 0.30 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 61.06 1h2o h PHE 144 Cb -0.12 -0.29 -0.00 0.00 2.20 0.00 0.00 35.95 37.73 1h2o h PHE 144 CO -0.01 0.44 -0.16 0.87 -0.60 0.00 0.00 178.31 178.84 1h2o h LYS 145 N 0.84 0.00 0.10 1.51 1.57 -1.11 -0.97 116.57 118.52 1h2o h LYS 145 Ca 0.37 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.86 1h2o h LYS 145 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1h2o h LYS 145 CO -0.14 0.16 -1.41 -0.07 -0.57 0.00 0.00 179.45 177.42 1h2o h LEU 146 N 0.00 0.34 -0.73 2.94 3.38 -0.65 -3.22 115.31 117.37 1h2o h LEU 146 Ca -0.00 -0.44 -0.13 0.00 0.09 0.00 0.00 57.88 57.40 1h2o h LEU 146 Cb 0.45 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1h2o h LEU 146 CO 0.02 1.36 -0.42 0.40 0.09 0.00 0.00 178.44 179.89 1h2o h ILE 147 N 0.06 1.31 -0.75 1.22 2.04 -0.73 -2.20 117.51 118.45 1h2o h ILE 147 Ca -0.19 -1.59 -0.04 0.00 1.00 0.00 0.00 64.86 64.04 1h2o h ILE 147 Cb 1.98 1.61 -0.03 0.00 -0.74 0.00 0.00 36.82 39.64 1h2o h ILE 147 CO 0.17 0.49 0.32 -0.33 0.00 0.00 0.00 178.15 178.79 1h2o h GLU 148 N 0.39 1.10 -0.24 2.37 5.08 -1.26 -2.28 114.58 119.75 1h2o h GLU 148 Ca 0.03 -0.18 -0.20 0.00 -1.00 0.00 0.00 59.36 58.01 1h2o h GLU 148 Cb 0.90 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1h2o h GLU 148 CO 0.08 0.88 -0.64 1.15 -1.00 0.00 0.00 179.01 179.48 1h2o h THR 149 N 1.08 1.27 -0.17 1.13 2.02 -1.52 0.37 112.91 117.10 1h2o h THR 149 Ca 0.25 -1.82 0.04 0.00 0.77 0.00 0.00 66.41 65.65 1h2o h THR 149 Cb 0.18 1.76 -0.04 0.00 -1.74 0.00 0.00 68.15 68.31 1h2o h THR 149 CO -0.02 0.59 -0.08 0.22 0.37 0.00 0.00 175.52 176.60 1h2o h TYR 150 N 0.63 -0.18 0.25 3.16 3.20 -1.09 0.75 116.97 123.68 1h2o h TYR 150 Ca -0.01 0.02 -0.33 0.00 3.14 0.00 0.00 58.73 61.54 1h2o h TYR 150 Cb 1.26 0.11 0.04 0.00 1.54 0.00 0.00 36.73 39.68 1h2o h TYR 150 CO 0.08 -0.12 -1.45 -0.07 -1.64 0.00 0.00 178.16 174.96 1h2o h LEU 151 N -0.06 0.85 -1.88 2.82 3.38 -1.44 0.92 115.31 119.90 1h2o h LEU 151 Ca 0.09 -0.92 -0.02 0.00 0.09 0.00 0.00 57.88 57.13 1h2o h LEU 151 Cb 0.19 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1h2o h LEU 151 CO -0.20 1.70 -0.09 0.50 0.09 0.00 0.00 178.44 180.44 1h2o h LYS 152 N 0.13 0.00 0.00 1.13 3.64 -0.10 -3.06 116.57 118.31 1h2o h LYS 152 Ca -0.25 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 58.81 1h2o h LYS 152 Cb 2.14 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.90 1h2o h LYS 152 CO 0.27 0.09 -2.22 0.41 -2.27 0.00 0.00 179.45 175.73 1h2o n GLY 153 N -0.48 -0.52 3.14 5.01 0.00 0.26 -4.79 105.19 107.80 1h2o n GLY 153 Ca -0.01 -0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 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 3.48 -2.00 1.61 3.76 0.32 -4.90 115.29 115.13 1h2o s HIS 154 Ca -0.21 -2.47 0.10 0.00 -0.15 0.00 0.00 55.06 52.33 1h2o s HIS 154 Cb 0.07 -3.30 0.60 0.00 1.11 0.00 0.00 32.58 31.06 1h2o s HIS 154 CO 0.59 -0.91 1.17 -0.35 -0.85 0.00 0.00 174.74 174.39 1h2o n PRO 155 N 3.98 0.72 0.00 8.40 -0.04 -1.24 -2.53 135.00 144.29 1h2o n PRO 155 Ca 0.04 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.57 1h2o n PRO 155 Cb 0.40 -1.22 0.02 0.00 -0.04 0.00 0.00 33.50 32.66 1h2o n PRO 155 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1h2o n ASP 156 N -0.72 1.77 -4.56 3.54 5.68 -1.26 -4.55 116.55 116.45 1h2o n ASP 156 Ca 0.08 -1.39 -0.40 0.00 -0.50 0.00 0.00 54.79 52.58 1h2o n ASP 156 Cb 0.03 0.29 -0.03 0.00 -1.14 0.00 0.00 41.12 40.28 1h2o n ASP 156 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1h2o s ALA 157 N -1.54 2.40 -0.86 2.12 0.00 -1.05 -3.90 121.76 118.92 1h2o s ALA 157 Ca 0.14 -0.49 -0.11 0.00 0.00 0.00 0.00 51.96 51.50 1h2o s ALA 157 Cb 0.12 -4.22 0.11 0.00 0.00 0.00 0.00 23.12 19.13 1h2o s ALA 157 CO 0.29 -3.52 0.27 2.48 0.00 0.00 0.00 175.76 175.29 1h2o n TYR 158 N 11.80 -0.99 0.34 0.00 0.18 -1.26 -4.94 117.16 122.29 1h2o n TYR 158 Ca 0.20 0.32 0.04 0.00 1.88 0.00 0.00 57.90 60.33 1h2o n TYR 158 Cb 0.51 -1.08 0.03 0.00 -0.38 0.00 0.00 39.34 38.42 1h2o n TYR 158 CO 0.00 0.00 0.00 -1.71 -2.08 0.00 0.00 176.86 173.07