#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 1.51 -0.12 1.61 1.01 -1.26 -2.29 120.40 120.86 1h2o s VAL 2 Ca 0.00 -0.80 -0.10 0.00 0.00 0.00 0.00 61.98 61.08 1h2o s VAL 2 Cb 0.00 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 1h2o s VAL 2 CO 0.00 0.43 0.22 -0.36 0.00 0.00 0.00 175.10 175.39 1h2o s PHE 3 N -0.31 3.56 -0.05 5.22 0.40 -0.96 -4.84 117.98 120.99 1h2o s PHE 3 Ca 0.04 0.59 0.06 0.00 -0.60 0.00 0.00 56.93 57.02 1h2o s PHE 3 Cb -0.09 -2.13 -0.01 0.00 0.51 0.00 0.00 43.02 41.30 1h2o s PHE 3 CO 0.00 0.54 -0.24 0.99 0.70 0.00 0.00 175.22 177.21 1h2o s THR 4 N -0.48 2.19 -0.12 0.64 2.01 -1.26 -0.99 115.64 117.63 1h2o s THR 4 Ca 0.16 -1.03 -0.05 0.00 0.31 0.00 0.00 61.69 61.07 1h2o s THR 4 Cb -0.13 -1.79 0.06 0.00 0.01 0.00 0.00 72.50 70.64 1h2o s THR 4 CO 0.05 0.57 0.27 -0.31 -0.69 0.00 0.00 174.62 174.51 1h2o s TYR 5 N -0.32 -0.41 -0.07 4.92 2.02 -0.75 -5.02 117.35 117.72 1h2o s TYR 5 Ca 0.01 0.93 0.04 0.00 -0.37 0.00 0.00 57.07 57.69 1h2o s TYR 5 Cb -0.13 0.03 -0.00 0.00 -0.40 0.00 0.00 41.96 41.46 1h2o s TYR 5 CO 0.02 -0.31 -0.20 -1.21 -1.57 0.00 0.00 175.55 172.29 1h2o s GLU 6 N 1.88 2.29 0.24 -0.62 2.02 -1.26 -1.05 118.70 122.20 1h2o s GLU 6 Ca -0.04 -0.71 0.11 0.00 0.02 0.00 0.00 54.97 54.35 1h2o s GLU 6 Cb -0.11 -1.87 -0.05 0.00 0.10 0.00 0.00 34.13 32.21 1h2o s GLU 6 CO -0.09 0.21 -0.19 -1.12 0.02 0.00 0.00 175.26 174.10 1h2o s SER 7 N 0.20 3.67 -0.11 -0.19 0.01 0.11 -4.94 113.70 112.45 1h2o s SER 7 Ca -0.10 -0.91 -0.05 0.00 1.31 0.00 0.00 55.95 56.20 1h2o s SER 7 Cb -0.15 -0.36 0.06 0.00 0.21 0.00 0.00 66.02 65.78 1h2o s SER 7 CO 0.05 0.07 0.24 -1.61 0.41 0.00 0.00 173.24 172.40 1h2o s GLU 8 N -3.21 0.16 0.20 12.44 8.01 -1.26 0.18 118.70 135.21 1h2o s GLU 8 Ca 0.27 0.64 0.04 0.00 0.01 0.00 0.00 54.97 55.93 1h2o s GLU 8 Cb -0.06 -0.09 -0.01 0.00 -4.31 0.00 0.00 34.13 29.65 1h2o s GLU 8 CO 0.14 -0.24 0.20 1.97 0.01 0.00 0.00 175.26 177.34 1h2o n PHE 9 N 4.90 -0.60 -4.16 1.61 -1.74 0.56 -4.97 117.46 113.07 1h2o n PHE 9 Ca -0.14 -1.64 -0.11 0.00 -0.56 0.00 0.00 57.45 55.00 1h2o n PHE 9 Cb 0.51 0.21 -0.09 0.00 1.52 0.00 0.00 39.48 41.63 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 -2.79 0.00 0.15 1.97 -4.23 -1.26 0.17 115.64 109.66 1h2o s THR 10 Ca 0.23 -1.87 -0.16 0.00 -1.18 0.00 0.00 61.69 58.71 1h2o s THR 10 Cb 0.01 -2.42 0.03 0.00 1.34 0.00 0.00 72.50 71.46 1h2o s THR 10 CO 0.16 -0.01 0.43 -0.55 -0.54 0.00 0.00 174.62 174.11 1h2o s SER 11 N -3.13 -0.22 0.08 3.99 0.15 0.45 -4.90 113.70 110.12 1h2o s SER 11 Ca 0.35 -0.43 0.12 0.00 0.70 0.00 0.00 55.95 56.69 1h2o s SER 11 Cb 0.05 0.51 -0.16 0.00 -1.71 0.00 0.00 66.02 64.71 1h2o s SER 11 CO 0.11 -0.93 1.02 -0.33 1.20 0.00 0.00 173.24 174.32 1h2o h GLU 12 N 2.32 0.00 -7.11 5.44 5.08 -1.90 2.18 114.58 120.60 1h2o h GLU 12 Ca -0.32 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.53 1h2o h GLU 12 Cb 1.26 0.00 0.09 0.00 0.50 0.00 0.00 28.75 30.60 1h2o h GLU 12 CO 0.44 0.63 0.44 0.42 -1.00 0.00 0.00 179.01 179.93 1h2o s ILE 13 N -2.75 2.95 0.42 3.13 -1.09 -1.26 -4.19 121.20 118.41 1h2o s ILE 13 Ca -0.01 0.57 -0.25 0.00 -2.23 0.00 0.00 60.65 58.73 1h2o s ILE 13 Cb 0.09 -3.20 -0.08 0.00 -1.58 0.00 0.00 42.46 37.69 1h2o s ILE 13 CO 0.81 -0.15 1.28 -2.16 -1.23 0.00 0.00 174.94 173.49 1h2o s PRO 14 N -3.42 3.90 0.25 2.79 0.04 -1.26 -4.00 135.00 133.30 1h2o s PRO 14 Ca 0.74 2.10 0.08 0.00 0.04 0.00 0.00 61.00 63.96 1h2o s PRO 14 Cb -0.26 -2.68 0.29 0.00 0.04 0.00 0.00 34.50 31.88 1h2o s PRO 14 CO 0.31 -0.53 1.57 -1.00 0.04 0.00 0.00 177.00 177.40 1h2o h PRO 15 N 2.53 0.09 0.00 0.56 0.13 -1.88 -2.69 132.00 130.75 1h2o h PRO 15 Ca -0.50 -0.07 -0.04 0.00 -0.87 0.00 0.00 66.00 64.52 1h2o h PRO 15 Cb 1.25 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1h2o h PRO 15 CO 0.62 0.70 -0.19 -1.00 -0.23 0.00 0.00 178.00 177.89 1h2o h PRO 16 N 0.07 0.00 0.16 1.56 0.13 -1.95 0.44 132.00 132.41 1h2o h PRO 16 Ca -0.01 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.84 1h2o h PRO 16 Cb 1.13 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.27 1h2o h PRO 16 CO 0.09 0.19 -1.37 0.00 -0.23 0.00 0.00 178.00 176.68 1h2o h ARG 17 N 0.00 0.34 -0.04 0.86 3.08 -1.92 -2.79 114.38 113.91 1h2o h ARG 17 Ca -0.00 -0.58 -0.14 0.00 0.07 0.00 0.00 59.98 59.33 1h2o h ARG 17 Cb 0.65 0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 1h2o h ARG 17 CO 0.03 1.28 -0.60 1.25 -1.07 0.00 0.00 179.97 180.86 1h2o h LEU 18 N -0.16 0.15 0.37 3.04 6.46 -1.34 -2.78 115.31 121.05 1h2o h LEU 18 Ca -0.27 -0.09 -0.02 0.00 -0.12 0.00 0.00 57.88 57.38 1h2o h LEU 18 Cb 1.88 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 41.77 1h2o h LEU 18 CO 0.14 0.71 -0.18 0.15 -0.62 0.00 0.00 178.44 178.65 1h2o h PHE 19 N 0.10 -0.46 -0.63 1.25 3.57 -0.20 0.12 116.94 120.69 1h2o h PHE 19 Ca -0.01 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.62 1h2o h PHE 19 Cb 1.08 0.15 -0.11 0.00 2.79 0.00 0.00 35.95 39.86 1h2o h PHE 19 CO 0.01 -0.15 -0.03 0.87 -2.23 0.00 0.00 178.31 176.78 1h2o h LYS 20 N -0.76 0.08 0.00 1.11 1.57 -1.48 0.49 116.57 117.58 1h2o h LYS 20 Ca -0.05 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 1h2o h LYS 20 Cb 0.51 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1h2o h LYS 20 CO 0.08 0.06 -0.34 0.00 -0.57 0.00 0.00 179.45 178.68 1h2o h ALA 21 N 1.59 1.32 0.09 3.86 0.00 -1.35 2.33 119.26 127.09 1h2o h ALA 21 Ca 0.33 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 1h2o h ALA 21 Cb 0.53 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1h2o h ALA 21 CO -0.57 0.43 -0.61 0.35 0.00 0.00 0.00 179.25 178.85 1h2o h PHE 22 N 0.00 0.33 0.00 0.00 3.57 0.23 0.51 116.94 121.58 1h2o h PHE 22 Ca -0.00 -0.24 -0.32 0.00 3.53 0.00 0.00 57.97 60.94 1h2o h PHE 22 Cb 0.65 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.33 1h2o h PHE 22 CO 0.00 1.23 -2.02 0.28 -2.23 0.00 0.00 178.31 175.58 1h2o n VAL 23 N -4.28 1.22 1.54 1.41 0.31 0.13 -3.52 118.33 115.14 1h2o n VAL 23 Ca -0.14 -0.23 0.15 0.00 -0.01 0.00 0.00 64.34 64.10 1h2o n VAL 23 Cb 0.71 -1.85 0.80 0.00 -0.91 0.00 0.00 33.84 32.59 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 -4.01 0.00 -0.80 7.52 4.32 0.24 -3.93 117.00 120.33 1h2o n LEU 24 Ca -0.38 0.23 -0.00 0.00 -0.02 0.00 0.00 56.01 55.83 1h2o n LEU 24 Cb 0.75 -0.23 -0.01 0.00 -1.62 0.00 0.00 43.42 42.31 1h2o n LEU 24 CO 0.04 -0.00 0.23 0.47 -1.22 0.00 0.00 177.39 176.91 1h2o n ASP 25 N -1.23 0.03 0.08 -1.43 8.00 0.76 -4.86 116.55 117.90 1h2o n ASP 25 Ca 0.16 -1.72 -0.01 0.00 0.71 0.00 0.00 54.79 53.93 1h2o n ASP 25 Cb 0.22 -0.08 0.27 0.00 -0.02 0.00 0.00 41.12 41.51 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 0.21 1.23 0.00 2.24 0.00 -0.93 -0.18 119.26 121.83 1h2o h ALA 26 Ca -0.15 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1h2o h ALA 26 Cb 1.40 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1h2o h ALA 26 CO -0.03 0.51 0.15 -0.44 0.00 0.00 0.00 179.25 179.44 1h2o h ASP 27 N 0.28 0.00 0.00 0.00 3.32 -1.87 -1.98 116.42 116.17 1h2o h ASP 27 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1h2o h ASP 27 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.18 1h2o h ASP 27 CO 0.05 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.11 1h2o n ASN 28 N -2.62 0.50 -0.02 6.45 0.23 -0.93 -4.54 115.26 114.33 1h2o n ASN 28 Ca -0.02 -0.93 -0.22 0.00 -0.53 0.00 0.00 54.58 52.88 1h2o n ASN 28 Cb 0.20 0.05 -0.13 0.00 -2.08 0.00 0.00 39.78 37.82 1h2o n ASN 28 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 1h2o h LEU 29 N 0.00 0.31 -0.08 -4.53 7.12 -0.26 -3.30 115.31 114.56 1h2o h LEU 29 Ca 0.00 -0.81 -0.22 0.00 0.13 0.00 0.00 57.88 56.98 1h2o h LEU 29 Cb 0.20 -0.10 0.01 0.00 -0.53 0.00 0.00 40.66 40.25 1h2o h LEU 29 CO 0.00 1.69 -0.83 0.58 -0.13 0.00 0.00 178.44 179.75 1h2o h VAL 30 N -0.32 1.30 0.00 1.05 2.07 -1.78 -2.57 116.25 116.00 1h2o h VAL 30 Ca -0.36 -2.06 0.00 0.00 0.82 0.00 0.00 66.70 65.09 1h2o h VAL 30 Cb 1.76 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 33.75 1h2o h VAL 30 CO 0.01 0.64 0.00 -0.81 0.02 0.00 0.00 177.57 177.43 1h2o n PRO 31 N -3.97 0.88 0.00 1.57 -0.04 -1.26 -2.33 135.00 129.84 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 0.77 -1.04 0.00 0.00 -0.04 0.00 0.00 33.50 33.19 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 -0.45 2.07 0.08 0.54 5.02 -1.17 -4.51 118.16 119.74 1h2o n LYS 32 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 1h2o n LYS 32 Cb 0.02 -0.98 -0.13 0.00 -0.02 0.00 0.00 35.03 33.92 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 1.59 -1.03 -0.18 2.04 -1.45 -3.43 117.51 115.05 1h2o h ILE 33 Ca 0.00 -3.23 0.01 0.00 1.00 0.00 0.00 64.86 62.64 1h2o h ILE 33 Cb 0.97 2.89 -0.21 0.00 -0.74 0.00 0.00 36.82 39.73 1h2o h ILE 33 CO 0.00 0.93 -0.40 0.00 0.00 0.00 0.00 178.15 178.68 1h2o s ALA 34 N -2.68 -2.34 -1.92 1.87 0.00 -0.98 -4.99 121.76 110.71 1h2o s ALA 34 Ca -0.02 0.88 0.19 0.00 0.00 0.00 0.00 51.96 53.01 1h2o s ALA 34 Cb 0.08 -2.55 1.10 0.00 0.00 0.00 0.00 23.12 21.75 1h2o s ALA 34 CO 0.85 -1.89 1.52 -0.35 0.00 0.00 0.00 175.76 175.89 1h2o n PRO 35 N 5.25 0.55 0.15 0.00 -0.04 -1.26 -2.50 135.00 137.15 1h2o n PRO 35 Ca 0.06 0.02 0.12 0.00 -0.04 0.00 0.00 63.50 63.65 1h2o n PRO 35 Cb 0.54 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.62 1h2o n PRO 35 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 1h2o h GLN 36 N 0.00 0.00 0.00 0.54 3.07 -1.94 -3.42 115.11 113.36 1h2o h GLN 36 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1h2o h GLN 36 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.58 1h2o h GLN 36 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.83 178.92 1h2o n ALA 37 N -2.08 0.00 -2.36 0.06 0.00 -1.04 -4.26 120.51 110.83 1h2o n ALA 37 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.08 1h2o n ALA 37 Cb 0.52 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.91 1h2o n ALA 37 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1h2o s ILE 38 N 0.00 4.85 -0.09 0.00 1.09 -1.26 -2.91 121.20 122.88 1h2o s ILE 38 Ca 0.00 1.08 0.15 0.00 -1.10 0.00 0.00 60.65 60.78 1h2o s ILE 38 Cb 0.00 -3.83 -0.13 0.00 -1.06 0.00 0.00 42.46 37.44 1h2o s ILE 38 CO 0.00 0.56 0.93 0.50 -0.10 0.00 0.00 174.94 176.83 1h2o h LYS 39 N 4.61 0.00 0.00 2.79 3.64 0.18 -3.43 116.57 124.37 1h2o h LYS 39 Ca -0.50 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1h2o h LYS 39 Cb 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1h2o h LYS 39 CO 0.63 0.41 0.00 1.58 -2.27 0.00 0.00 179.45 179.80 1h2o n HIS 40 N -3.00 0.00 -5.06 1.91 -0.00 -1.25 -4.95 115.22 102.87 1h2o n HIS 40 Ca -0.08 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.31 1h2o n HIS 40 Cb 0.87 0.00 -0.15 0.00 -0.00 0.00 0.00 29.99 30.71 1h2o n HIS 40 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1h2o s SER 41 N 0.00 3.51 -0.21 0.26 1.04 -1.26 -0.90 113.70 116.14 1h2o s SER 41 Ca 0.00 -0.41 -0.04 0.00 0.48 0.00 0.00 55.95 55.98 1h2o s SER 41 Cb 0.00 -1.11 0.07 0.00 0.10 0.00 0.00 66.02 65.08 1h2o s SER 41 CO 0.00 0.23 0.09 -0.70 0.98 0.00 0.00 173.24 173.85 1h2o s GLU 42 N -0.08 0.23 0.31 4.02 2.56 -1.11 -4.97 118.70 119.65 1h2o s GLU 42 Ca -0.04 -0.31 -0.29 0.00 0.00 0.00 0.00 54.97 54.33 1h2o s GLU 42 Cb -0.14 -1.71 -0.11 0.00 2.00 0.00 0.00 34.13 34.17 1h2o s GLU 42 CO 0.04 -0.77 1.49 0.42 -0.56 0.00 0.00 175.26 175.87 1h2o s ILE 43 N 2.06 2.30 -0.03 -3.70 1.01 -1.26 -1.04 121.20 120.53 1h2o s ILE 43 Ca 0.04 0.27 0.06 0.00 0.00 0.00 0.00 60.65 61.02 1h2o s ILE 43 Cb -0.16 -3.17 -0.09 0.00 0.01 0.00 0.00 42.46 39.04 1h2o s ILE 43 CO -0.17 0.05 0.10 -0.11 0.00 0.00 0.00 174.94 174.81 1h2o n LEU 44 N 1.54 0.00 -4.36 2.97 7.94 0.53 -4.87 117.00 120.75 1h2o n LEU 44 Ca 0.05 0.00 -0.19 0.00 -1.11 0.00 0.00 56.01 54.76 1h2o n LEU 44 Cb 0.39 0.05 -0.10 0.00 0.53 0.00 0.00 43.42 44.29 1h2o n LEU 44 CO 0.62 0.05 -0.41 0.26 -1.11 0.00 0.00 177.39 176.80 1h2o s TRP 45 N -2.34 1.73 0.00 1.96 0.52 -0.95 -4.84 118.94 115.01 1h2o s TRP 45 Ca -0.03 -0.64 0.00 0.00 0.02 0.00 0.00 56.10 55.45 1h2o s TRP 45 Cb 0.03 -0.87 0.00 0.00 -1.15 0.00 0.00 33.47 31.48 1h2o s TRP 45 CO 0.26 0.29 0.00 0.41 0.02 0.00 0.00 176.95 177.93 1h2o n GLY 46 N -0.42 2.39 0.49 0.98 0.00 -1.26 -3.39 105.19 103.98 1h2o n GLY 46 Ca -0.07 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 0.71 0.00 0.00 1.61 8.00 -1.26 -4.96 116.55 120.65 1h2o n ASP 47 Ca 0.00 -1.13 0.00 0.00 0.71 0.00 0.00 54.79 54.37 1h2o n ASP 47 Cb 0.00 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 1h2o n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1h2o n GLY 48 N 0.00 1.80 0.61 0.44 0.00 -1.26 -5.11 105.19 101.67 1h2o n GLY 48 Ca 0.00 0.00 -0.05 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 -1.90 3.71 -0.02 0.00 -1.26 -4.89 105.19 100.83 1h2o n GLY 49 Ca 0.00 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 1h2o n GLY 49 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1h2o s PRO 50 N -3.45 4.41 0.00 1.61 0.04 -1.26 -2.74 135.00 133.61 1h2o s PRO 50 Ca 0.12 1.82 0.00 0.00 0.04 0.00 0.00 61.00 62.98 1h2o s PRO 50 Cb -0.01 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.18 1h2o s PRO 50 CO 0.09 -0.31 0.00 0.41 0.04 0.00 0.00 177.00 177.23 1h2o n GLY 51 N 3.28 0.34 3.83 0.56 0.00 0.41 -4.96 105.19 108.66 1h2o n GLY 51 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1h2o n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h2o s THR 52 N -2.00 2.65 -0.06 2.61 2.01 -1.11 -4.61 115.64 115.13 1h2o s THR 52 Ca 0.00 0.21 -0.02 0.00 0.31 0.00 0.00 61.69 62.19 1h2o s THR 52 Cb 0.00 -3.05 0.03 0.00 0.01 0.00 0.00 72.50 69.49 1h2o s THR 52 CO 0.00 -0.27 0.02 -0.63 -0.69 0.00 0.00 174.62 173.05 1h2o s ILE 53 N -3.31 0.18 -0.10 1.82 1.01 -1.22 0.45 121.20 120.03 1h2o s ILE 53 Ca 0.61 0.24 -0.03 0.00 0.00 0.00 0.00 60.65 61.48 1h2o s ILE 53 Cb -0.13 -0.37 -0.03 0.00 0.01 0.00 0.00 42.46 41.93 1h2o s ILE 53 CO 0.52 0.23 0.02 -0.54 0.00 0.00 0.00 174.94 175.17 1h2o s LYS 54 N 2.03 3.17 -0.63 2.79 1.02 0.25 0.20 119.74 128.57 1h2o s LYS 54 Ca 0.05 -0.38 -0.13 0.00 0.02 0.00 0.00 55.97 55.53 1h2o s LYS 54 Cb -0.12 -2.88 0.16 0.00 -0.52 0.00 0.00 37.83 34.47 1h2o s LYS 54 CO -0.04 0.64 0.55 0.15 -0.92 0.00 0.00 175.35 175.73 1h2o s LYS 55 N -0.70 3.05 0.13 1.68 1.02 -0.21 0.56 119.74 125.27 1h2o s LYS 55 Ca 0.11 -2.05 -0.30 0.00 0.02 0.00 0.00 55.97 53.76 1h2o s LYS 55 Cb -0.12 -4.21 -0.06 0.00 -0.52 0.00 0.00 37.83 32.92 1h2o s LYS 55 CO 0.02 -1.28 0.96 0.42 -0.92 0.00 0.00 175.35 174.55 1h2o s ILE 56 N 0.92 4.44 0.18 2.17 1.01 0.11 -2.76 121.20 127.26 1h2o s ILE 56 Ca 0.10 2.07 0.05 0.00 0.00 0.00 0.00 60.65 62.87 1h2o s ILE 56 Cb -0.22 -4.32 -0.04 0.00 0.01 0.00 0.00 42.46 37.89 1h2o s ILE 56 CO -0.02 0.34 0.17 0.42 0.00 0.00 0.00 174.94 175.85 1h2o s THR 57 N -0.17 4.62 0.41 2.92 -4.23 -0.07 0.12 115.64 119.22 1h2o s THR 57 Ca 0.46 -1.07 0.07 0.00 -1.18 0.00 0.00 61.69 59.97 1h2o s THR 57 Cb -0.24 -3.38 -0.07 0.00 1.34 0.00 0.00 72.50 70.15 1h2o s THR 57 CO 0.30 -0.15 0.04 -0.36 -0.54 0.00 0.00 174.62 173.92 1h2o s PHE 58 N -1.81 2.54 0.59 3.99 0.08 0.72 0.19 117.98 124.27 1h2o s PHE 58 Ca 0.32 -0.65 -0.18 0.00 0.12 0.00 0.00 56.93 56.54 1h2o s PHE 58 Cb -0.10 -1.81 -0.10 0.00 -0.57 0.00 0.00 43.02 40.45 1h2o s PHE 58 CO 0.24 0.40 0.32 0.41 -0.10 0.00 0.00 175.22 176.49 1h2o n GLY 59 N -1.02 -2.04 0.37 4.36 0.00 -1.14 -4.31 105.19 101.40 1h2o n GLY 59 Ca -0.04 -0.23 0.01 0.00 0.00 0.00 0.00 46.02 45.76 1h2o n GLY 59 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1h2o h GLU 60 N 0.04 1.17 0.00 1.61 4.81 -1.92 -3.34 114.58 116.94 1h2o h GLU 60 Ca -0.44 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1h2o h GLU 60 Cb 1.40 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1h2o h GLU 60 CO 0.44 0.77 0.00 0.41 -0.73 0.00 0.00 179.01 179.90 1h2o n GLY 61 N -1.36 0.31 0.28 1.92 0.00 -1.26 -3.34 105.19 101.73 1h2o n GLY 61 Ca 0.14 -0.62 -0.10 0.00 0.00 0.00 0.00 46.02 45.44 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 0.97 -4.42 1.61 0.02 -2.03 -3.43 113.55 106.27 1h2o h SER 62 Ca 0.00 -0.35 -0.61 0.00 -0.84 0.00 0.00 61.79 59.99 1h2o h SER 62 Cb 0.00 -0.26 -0.29 0.00 0.14 0.00 0.00 62.40 61.99 1h2o h SER 62 CO 0.00 1.09 -0.86 -1.10 -1.14 0.00 0.00 176.83 174.82 1h2o s GLN 63 N -4.84 1.67 0.26 3.45 -0.21 -1.21 -5.09 119.66 113.69 1h2o s GLN 63 Ca -0.12 -0.80 -0.27 0.00 0.02 0.00 0.00 55.36 54.19 1h2o s GLN 63 Cb 0.12 -1.65 -0.16 0.00 1.00 0.00 0.00 33.01 32.32 1h2o s GLN 63 CO 0.85 0.45 0.62 0.98 -2.12 0.00 0.00 175.29 176.07 1h2o n TYR 64 N 2.42 -0.13 -4.60 0.91 9.36 -1.24 -4.86 117.16 119.01 1h2o n TYR 64 Ca -0.16 0.84 -0.23 0.00 3.32 0.00 0.00 57.90 61.67 1h2o n TYR 64 Cb 0.53 -2.03 -0.16 0.00 -0.63 0.00 0.00 39.34 37.05 1h2o n TYR 64 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 1h2o s GLY 65 N -0.88 0.71 -0.26 2.98 0.00 -1.26 -5.02 107.32 103.60 1h2o s GLY 65 Ca 0.62 -0.51 -0.38 0.00 0.00 0.00 0.00 44.72 44.45 1h2o s GLY 65 CO 0.58 -0.25 1.39 -2.52 0.00 0.00 0.00 173.10 172.29 1h2o s TYR 66 N 0.06 -0.01 0.23 1.90 -0.85 -1.26 0.26 117.35 117.68 1h2o s TYR 66 Ca -0.02 0.01 -0.01 0.00 -0.52 0.00 0.00 57.07 56.52 1h2o s TYR 66 Cb -0.09 0.50 -0.03 0.00 0.38 0.00 0.00 41.96 42.72 1h2o s TYR 66 CO 0.01 -0.02 0.22 0.14 -1.52 0.00 0.00 175.55 174.37 1h2o s VAL 67 N -2.05 0.00 -0.20 -3.49 -7.23 0.32 -4.39 120.40 103.37 1h2o s VAL 67 Ca 0.12 -1.90 0.01 0.00 -1.81 0.00 0.00 61.98 58.40 1h2o s VAL 67 Cb 0.00 -2.47 0.04 0.00 0.56 0.00 0.00 36.38 34.51 1h2o s VAL 67 CO -0.03 0.00 -0.12 -0.54 -0.31 0.00 0.00 175.10 174.10 1h2o s LYS 68 N -3.98 2.18 -0.20 4.82 1.02 -1.25 0.04 119.74 122.38 1h2o s LYS 68 Ca 0.37 -0.88 -0.06 0.00 0.02 0.00 0.00 55.97 55.41 1h2o s LYS 68 Cb 0.05 -2.47 -0.03 0.00 -0.52 0.00 0.00 37.83 34.86 1h2o s LYS 68 CO 0.14 -0.41 0.03 -1.01 -0.92 0.00 0.00 175.35 173.19 1h2o s HIS 69 N 1.35 3.12 -0.21 3.18 3.76 0.19 -2.19 115.29 124.50 1h2o s HIS 69 Ca -0.01 -0.23 -0.13 0.00 -0.15 0.00 0.00 55.06 54.54 1h2o s HIS 69 Cb -0.16 -2.10 -0.05 0.00 1.11 0.00 0.00 32.58 31.38 1h2o s HIS 69 CO -0.09 -0.10 0.26 0.21 -0.85 0.00 0.00 174.74 174.18 1h2o s LYS 70 N 0.83 4.15 -0.01 1.40 2.20 0.90 0.88 119.74 130.10 1h2o s LYS 70 Ca 0.02 -0.04 -0.30 0.00 -0.36 0.00 0.00 55.97 55.29 1h2o s LYS 70 Cb -0.14 -3.50 -0.07 0.00 -1.51 0.00 0.00 37.83 32.61 1h2o s LYS 70 CO 0.02 0.09 1.65 0.42 -0.36 0.00 0.00 175.35 177.17 1h2o s ILE 71 N 0.96 3.40 -0.24 5.43 -1.09 0.17 -0.21 121.20 129.61 1h2o s ILE 71 Ca 0.13 0.63 -0.05 0.00 -2.23 0.00 0.00 60.65 59.13 1h2o s ILE 71 Cb -0.14 -3.41 -0.17 0.00 -1.58 0.00 0.00 42.46 37.17 1h2o s ILE 71 CO 0.05 -0.03 -0.16 -0.67 -1.23 0.00 0.00 174.94 172.89 1h2o n ASP 72 N 6.52 1.99 -3.53 3.58 2.03 0.20 0.16 116.55 127.50 1h2o n ASP 72 Ca 0.17 0.07 -0.08 0.00 0.52 0.00 0.00 54.79 55.47 1h2o n ASP 72 Cb 0.42 -0.61 -0.02 0.00 -0.72 0.00 0.00 41.12 40.18 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 -6.88 -0.32 0.06 1.67 0.01 0.48 -4.64 113.70 104.09 1h2o s SER 73 Ca -0.34 0.02 -0.06 0.00 1.31 0.00 0.00 55.95 56.88 1h2o s SER 73 Cb 0.10 0.33 -0.01 0.00 0.21 0.00 0.00 66.02 66.65 1h2o s SER 73 CO 0.59 -0.52 0.10 -0.63 0.41 0.00 0.00 173.24 173.19 1h2o s ILE 74 N -2.85 0.16 -0.49 1.44 1.01 -1.26 -0.69 121.20 118.51 1h2o s ILE 74 Ca 0.06 -1.30 0.05 0.00 0.00 0.00 0.00 60.65 59.45 1h2o s ILE 74 Cb -0.01 -1.23 0.18 0.00 0.01 0.00 0.00 42.46 41.41 1h2o s ILE 74 CO -0.07 -0.72 0.41 0.47 0.00 0.00 0.00 174.94 175.02 1h2o n ASP 75 N 0.27 0.58 0.13 3.58 8.00 -0.03 -4.92 116.55 124.15 1h2o n ASP 75 Ca -0.16 -2.65 0.10 0.00 0.71 0.00 0.00 54.79 52.79 1h2o n ASP 75 Cb 0.61 -0.61 0.49 0.00 -0.02 0.00 0.00 41.12 41.58 1h2o n ASP 75 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1h2o n LYS 76 N 2.42 0.13 -0.05 -1.24 5.02 -1.26 0.27 118.16 123.45 1h2o n LYS 76 Ca 0.27 0.56 -0.12 0.00 -2.02 0.00 0.00 58.31 56.99 1h2o n LYS 76 Cb 0.45 -1.87 -0.14 0.00 -0.02 0.00 0.00 35.03 33.45 1h2o n LYS 76 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1h2o n GLU 77 N -2.14 0.67 0.00 1.97 -0.58 -1.26 -4.28 120.64 115.03 1h2o n GLU 77 Ca -0.00 0.20 0.08 0.00 -0.42 0.00 0.00 57.16 57.02 1h2o n GLU 77 Cb 0.08 -1.68 -0.06 0.00 -0.57 0.00 0.00 31.44 29.20 1h2o n GLU 77 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1h2o n ASN 78 N -3.08 1.09 -2.35 1.62 3.02 -0.68 -5.00 115.26 109.88 1h2o n ASN 78 Ca -0.27 -1.04 -0.09 0.00 -0.03 0.00 0.00 54.58 53.14 1h2o n ASN 78 Cb 1.07 0.82 0.05 0.00 -0.61 0.00 0.00 39.78 41.11 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 -0.94 -1.22 -4.41 3.10 4.01 0.77 -4.27 117.16 114.19 1h2o n TYR 79 Ca 0.04 0.52 -0.25 0.00 -0.16 0.00 0.00 57.90 58.05 1h2o n TYR 79 Cb 0.29 -3.68 -0.11 0.00 -0.31 0.00 0.00 39.34 35.53 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 -3.71 3.32 -0.06 7.72 0.01 -0.94 -1.71 113.70 118.33 1h2o s SER 80 Ca 0.02 -0.89 -0.03 0.00 1.31 0.00 0.00 55.95 56.36 1h2o s SER 80 Cb -0.00 -0.24 0.03 0.00 0.21 0.00 0.00 66.02 66.01 1h2o s SER 80 CO 0.40 0.08 0.13 -0.47 0.41 0.00 0.00 173.24 173.79 1h2o s TYR 81 N -1.87 -0.14 -0.05 2.43 5.04 0.27 -0.85 117.35 122.17 1h2o s TYR 81 Ca 0.21 0.41 -0.01 0.00 -2.44 0.00 0.00 57.07 55.24 1h2o s TYR 81 Cb -0.07 -0.05 0.03 0.00 0.35 0.00 0.00 41.96 42.21 1h2o s TYR 81 CO 0.10 -0.13 0.01 -1.12 -1.34 0.00 0.00 175.55 173.07 1h2o s SER 82 N 0.82 1.22 0.35 4.32 0.01 0.13 0.89 113.70 121.43 1h2o s SER 82 Ca -0.06 -0.04 0.08 0.00 1.31 0.00 0.00 55.95 57.23 1h2o s SER 82 Cb -0.08 -0.34 -0.03 0.00 0.21 0.00 0.00 66.02 65.78 1h2o s SER 82 CO -0.04 -0.17 0.28 -0.72 0.41 0.00 0.00 173.24 173.00 1h2o s TYR 83 N 1.74 1.81 0.01 2.43 1.13 0.66 0.62 117.35 125.74 1h2o s TYR 83 Ca 0.01 -1.67 0.03 0.00 -1.41 0.00 0.00 57.07 54.03 1h2o s TYR 83 Cb -0.13 -0.75 -0.01 0.00 -1.10 0.00 0.00 41.96 39.97 1h2o s TYR 83 CO -0.04 -0.86 -0.11 0.99 -2.51 0.00 0.00 175.55 173.03 1h2o s THR 84 N -3.38 0.85 -0.28 -3.49 2.01 0.71 -0.09 115.64 111.97 1h2o s THR 84 Ca 0.40 -0.64 -0.13 0.00 0.31 0.00 0.00 61.69 61.63 1h2o s THR 84 Cb 0.02 -0.75 -0.04 0.00 0.01 0.00 0.00 72.50 71.74 1h2o s THR 84 CO 0.28 0.11 0.28 -0.22 -0.69 0.00 0.00 174.62 174.38 1h2o s LEU 85 N -0.60 4.09 -0.01 4.42 0.20 -0.67 -0.07 118.68 126.04 1h2o s LEU 85 Ca 0.02 0.07 0.18 0.00 0.69 0.00 0.00 54.13 55.09 1h2o s LEU 85 Cb -0.05 -2.26 -0.23 0.00 -0.43 0.00 0.00 46.19 43.22 1h2o s LEU 85 CO 0.00 -0.14 0.68 2.30 -0.29 0.00 0.00 176.35 178.90 1h2o n ILE 86 N 5.10 0.00 -4.12 6.68 -5.35 -0.93 -1.71 119.36 119.03 1h2o n ILE 86 Ca -0.11 -0.17 -0.10 0.00 -0.27 0.00 0.00 62.75 62.09 1h2o n ILE 86 Cb 0.51 0.73 -0.09 0.00 -1.74 0.00 0.00 39.64 39.05 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 -2.90 1.06 0.00 6.28 2.56 -1.25 -4.96 118.70 119.49 1h2o s GLU 87 Ca 0.03 -1.43 0.00 0.00 0.00 0.00 0.00 54.97 53.57 1h2o s GLU 87 Cb 0.13 0.28 0.00 0.00 2.00 0.00 0.00 34.13 36.55 1h2o s GLU 87 CO 0.77 -0.34 0.00 0.41 -0.56 0.00 0.00 175.26 175.54 1h2o n GLY 88 N -0.17 3.11 0.40 -1.50 0.00 -1.26 -3.95 105.19 101.82 1h2o n GLY 88 Ca -0.04 -0.12 0.20 0.00 0.00 0.00 0.00 46.02 46.06 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 1.23 1.61 3.32 -1.98 0.81 116.42 121.41 1h2o h ASP 89 Ca 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1h2o h ASP 89 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1h2o h ASP 89 CO 0.00 0.00 -0.18 0.00 -1.72 0.00 0.00 179.24 177.34 1h2o h ALA 90 N 1.23 0.96 0.00 3.45 0.00 -1.96 -3.00 119.26 119.94 1h2o h ALA 90 Ca 0.21 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1h2o h ALA 90 Cb 1.38 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1h2o h ALA 90 CO -0.00 0.23 -0.24 -0.07 0.00 0.00 0.00 179.25 179.17 1h2o h LEU 91 N 0.00 0.00 0.00 0.00 3.38 0.31 -3.47 115.31 115.53 1h2o h LEU 91 Ca -0.00 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.11 1h2o h LEU 91 Cb 0.85 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.56 1h2o h LEU 91 CO 0.02 0.24 -0.19 0.61 0.09 0.00 0.00 178.44 179.22 1h2o n GLY 92 N -0.49 -0.76 0.11 0.83 0.00 -1.14 -1.36 105.19 102.38 1h2o n GLY 92 Ca -0.02 -0.50 0.03 0.00 0.00 0.00 0.00 46.02 45.53 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 -4.24 0.31 -0.08 1.61 5.68 -1.26 -3.58 116.55 114.99 1h2o n ASP 93 Ca 0.00 -1.88 -0.19 0.00 -0.50 0.00 0.00 54.79 52.23 1h2o n ASP 93 Cb 0.24 -0.03 -0.13 0.00 -1.14 0.00 0.00 41.12 40.06 1h2o n ASP 93 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1h2o n THR 94 N -0.39 1.60 -3.85 2.12 -2.24 -1.22 -4.88 114.28 105.43 1h2o n THR 94 Ca 0.05 -0.61 -0.28 0.00 -2.27 0.00 0.00 64.05 60.94 1h2o n THR 94 Cb 0.06 -1.51 -0.03 0.00 -2.10 0.00 0.00 70.33 66.75 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 -6.68 4.31 0.00 3.22 1.43 -0.46 -2.49 118.68 118.01 1h2o s LEU 95 Ca -0.29 0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 1h2o s LEU 95 Cb 0.08 -3.02 0.00 0.00 0.03 0.00 0.00 46.19 43.28 1h2o s LEU 95 CO 0.67 0.05 0.00 -0.62 0.23 0.00 0.00 176.35 176.68 1h2o n GLU 96 N -0.38 0.00 -2.71 1.70 -0.58 -0.89 -4.68 120.64 113.10 1h2o n GLU 96 Ca -0.06 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.26 1h2o n GLU 96 Cb 0.53 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.37 1h2o n GLU 96 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1h2o s LYS 97 N 0.00 4.52 0.06 3.49 1.02 -1.16 -4.71 119.74 122.97 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 -3.48 -0.03 0.00 -0.52 0.00 0.00 37.83 33.79 1h2o s LYS 97 CO 0.00 -0.12 -0.17 0.42 -0.92 0.00 0.00 175.35 174.56 1h2o s ILE 98 N 1.28 2.90 -0.13 2.17 -1.09 -0.69 -0.64 121.20 125.00 1h2o s ILE 98 Ca 0.51 -1.25 0.02 0.00 -2.23 0.00 0.00 60.65 57.69 1h2o s ILE 98 Cb -0.20 -2.26 0.02 0.00 -1.58 0.00 0.00 42.46 38.43 1h2o s ILE 98 CO 0.25 0.26 -0.17 -0.44 -1.23 0.00 0.00 174.94 173.61 1h2o s SER 99 N -1.69 2.71 -0.07 3.58 0.01 -0.74 -1.67 113.70 115.83 1h2o s SER 99 Ca 0.16 -0.50 0.05 0.00 1.31 0.00 0.00 55.95 56.97 1h2o s SER 99 Cb -0.11 -1.23 -0.00 0.00 0.21 0.00 0.00 66.02 64.89 1h2o s SER 99 CO 0.07 0.02 -0.23 -0.31 0.41 0.00 0.00 173.24 173.20 1h2o s TYR 100 N 1.07 2.32 -0.01 2.43 2.02 0.87 0.48 117.35 126.53 1h2o s TYR 100 Ca -0.03 -0.80 -0.03 0.00 -0.37 0.00 0.00 57.07 55.84 1h2o s TYR 100 Cb -0.14 -1.55 -0.00 0.00 -0.40 0.00 0.00 41.96 39.87 1h2o s TYR 100 CO -0.04 -0.29 0.06 -2.00 -1.57 0.00 0.00 175.55 171.71 1h2o s GLU 101 N 0.09 0.21 0.01 -0.62 2.12 0.34 -0.25 118.70 120.60 1h2o s GLU 101 Ca -0.10 -0.15 -0.00 0.00 0.36 0.00 0.00 54.97 55.08 1h2o s GLU 101 Cb -0.15 0.09 -0.01 0.00 0.26 0.00 0.00 34.13 34.31 1h2o s GLU 101 CO 0.05 -0.04 -0.01 0.99 -0.54 0.00 0.00 175.26 175.71 1h2o s THR 102 N -0.56 0.07 -0.00 -1.70 2.01 0.26 -0.35 115.64 115.36 1h2o s THR 102 Ca -0.06 -0.55 0.00 0.00 0.31 0.00 0.00 61.69 61.39 1h2o s THR 102 Cb -0.04 -0.17 0.00 0.00 0.01 0.00 0.00 72.50 72.31 1h2o s THR 102 CO 0.00 -0.30 -0.00 -0.54 -0.69 0.00 0.00 174.62 173.09 1h2o s LYS 103 N -0.88 0.05 0.13 4.92 1.02 0.27 -0.57 119.74 124.68 1h2o s LYS 103 Ca -0.10 0.01 0.10 0.00 0.02 0.00 0.00 55.97 56.00 1h2o s LYS 103 Cb -0.06 -0.09 -0.04 0.00 -0.52 0.00 0.00 37.83 37.12 1h2o s LYS 103 CO -0.01 -0.01 -0.23 -0.51 -0.92 0.00 0.00 175.35 173.67 1h2o s LEU 104 N 0.16 2.47 0.00 3.17 1.43 -0.70 0.18 118.68 125.39 1h2o s LEU 104 Ca -0.01 -0.69 -0.00 0.00 -1.03 0.00 0.00 54.13 52.40 1h2o s LEU 104 Cb -0.02 -1.34 0.00 0.00 0.03 0.00 0.00 46.19 44.86 1h2o s LEU 104 CO -0.00 0.17 0.07 0.52 0.23 0.00 0.00 176.35 177.34 1h2o n VAL 105 N 0.82 0.00 -5.10 -1.59 0.31 0.47 -4.68 118.33 108.57 1h2o n VAL 105 Ca -0.17 -0.26 -0.29 0.00 -0.01 0.00 0.00 64.34 63.61 1h2o n VAL 105 Cb 0.53 0.16 -0.16 0.00 -0.91 0.00 0.00 33.84 33.46 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 -1.79 1.87 0.39 3.52 0.00 -1.26 -0.87 121.76 123.62 1h2o s ALA 106 Ca 0.04 -0.94 0.07 0.00 0.00 0.00 0.00 51.96 51.13 1h2o s ALA 106 Cb -0.00 -0.52 0.00 0.00 0.00 0.00 0.00 23.12 22.60 1h2o s ALA 106 CO 0.03 0.42 0.55 -1.54 0.00 0.00 0.00 175.76 175.22 1h2o s SER 107 N -0.35 5.77 0.00 0.00 1.04 -1.23 -4.64 113.70 114.30 1h2o s SER 107 Ca 0.04 -0.26 0.19 0.00 0.48 0.00 0.00 55.95 56.40 1h2o s SER 107 Cb -0.10 -0.96 1.00 0.00 0.10 0.00 0.00 66.02 66.06 1h2o s SER 107 CO 0.01 -0.65 1.57 -0.81 0.98 0.00 0.00 173.24 174.33 1h2o n PRO 108 N -1.81 0.35 0.05 4.02 -0.04 -1.26 -2.46 135.00 133.85 1h2o n PRO 108 Ca 0.04 0.08 0.11 0.00 -0.04 0.00 0.00 63.50 63.70 1h2o n PRO 108 Cb 0.59 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.21 0.55 0.00 3.54 7.64 -1.26 -4.97 113.62 117.91 1h2o n SER 109 Ca 0.10 0.11 0.00 0.00 1.01 0.00 0.00 58.87 60.09 1h2o n SER 109 Cb 0.13 0.97 0.00 0.00 -1.01 0.00 0.00 64.21 64.30 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 1.25 0.73 0.00 0.23 0.00 -1.03 -5.08 105.19 101.30 1h2o n GLY 110 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.46 3.45 -0.02 0.00 -1.26 -4.75 105.19 100.15 1h2o n GLY 111 Ca 0.00 -0.99 -0.08 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.76 -0.72 0.41 1.61 1.04 0.74 -3.51 113.70 111.51 1h2o s SER 112 Ca 0.00 1.21 -0.22 0.00 0.48 0.00 0.00 55.95 57.42 1h2o s SER 112 Cb 0.00 1.18 -0.11 0.00 0.10 0.00 0.00 66.02 67.19 1h2o s SER 112 CO 0.00 -0.22 0.95 -0.63 0.98 0.00 0.00 173.24 174.32 1h2o s ILE 113 N 1.70 4.36 -0.11 -1.02 1.01 -0.05 -0.41 121.20 126.68 1h2o s ILE 113 Ca -0.09 1.54 -0.01 0.00 0.00 0.00 0.00 60.65 62.09 1h2o s ILE 113 Cb -0.07 -3.66 0.03 0.00 0.01 0.00 0.00 42.46 38.76 1h2o s ILE 113 CO -0.16 -0.25 -0.05 -0.63 0.00 0.00 0.00 174.94 173.85 1h2o s ILE 114 N -2.09 0.83 -0.25 2.92 1.01 0.45 0.18 121.20 124.25 1h2o s ILE 114 Ca 0.60 -0.20 -0.08 0.00 0.00 0.00 0.00 60.65 60.98 1h2o s ILE 114 Cb -0.11 -0.91 -0.03 0.00 0.01 0.00 0.00 42.46 41.42 1h2o s ILE 114 CO 0.15 0.31 0.09 -0.75 0.00 0.00 0.00 174.94 174.73 1h2o s LYS 115 N 1.78 3.74 0.12 2.79 2.20 0.48 -0.32 119.74 130.53 1h2o s LYS 115 Ca 0.05 -0.43 0.03 0.00 -0.36 0.00 0.00 55.97 55.25 1h2o s LYS 115 Cb -0.13 -3.36 -0.04 0.00 -1.51 0.00 0.00 37.83 32.79 1h2o s LYS 115 CO -0.07 -0.13 0.15 0.45 -0.36 0.00 0.00 175.35 175.39 1h2o s SER 116 N 1.47 5.74 -0.29 1.43 0.15 0.47 0.96 113.70 123.63 1h2o s SER 116 Ca 0.06 0.00 -0.11 0.00 0.70 0.00 0.00 55.95 56.60 1h2o s SER 116 Cb -0.15 -1.59 0.12 0.00 -1.71 0.00 0.00 66.02 62.69 1h2o s SER 116 CO 0.05 0.11 0.66 -0.89 1.20 0.00 0.00 173.24 174.37 1h2o s THR 117 N -1.60 -0.76 0.13 6.45 2.01 0.52 0.08 115.64 122.47 1h2o s THR 117 Ca 0.31 0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.35 1h2o s THR 117 Cb -0.11 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.36 1h2o s THR 117 CO 0.24 0.00 -0.08 -0.55 -0.69 0.00 0.00 174.62 173.54 1h2o s SER 118 N 2.60 1.49 0.15 3.53 0.15 -0.21 0.13 113.70 121.53 1h2o s SER 118 Ca -0.07 -1.01 -0.09 0.00 0.70 0.00 0.00 55.95 55.48 1h2o s SER 118 Cb -0.10 0.04 -0.01 0.00 -1.71 0.00 0.00 66.02 64.24 1h2o s SER 118 CO -0.19 -0.40 0.26 -1.00 1.20 0.00 0.00 173.24 173.11 1h2o s HIS 119 N -3.47 0.36 0.10 3.44 0.09 0.18 -1.81 115.29 114.18 1h2o s HIS 119 Ca 0.15 -0.74 0.07 0.00 -0.00 0.00 0.00 55.06 54.54 1h2o s HIS 119 Cb 0.04 -0.07 -0.03 0.00 -0.00 0.00 0.00 32.58 32.51 1h2o s HIS 119 CO -0.02 -0.68 -0.18 0.71 -0.00 0.00 0.00 174.74 174.57 1h2o s TYR 120 N -3.95 1.60 -0.50 1.40 1.51 -0.16 -1.80 117.35 115.46 1h2o s TYR 120 Ca 0.15 -0.44 0.03 0.00 -1.01 0.00 0.00 57.07 55.80 1h2o s TYR 120 Cb 0.04 -0.88 0.15 0.00 -0.11 0.00 0.00 41.96 41.16 1h2o s TYR 120 CO -0.02 0.17 0.33 -1.01 -1.11 0.00 0.00 175.55 173.91 1h2o s HIS 121 N -1.29 2.18 0.73 2.71 3.76 0.19 -2.28 115.29 121.29 1h2o s HIS 121 Ca 0.05 -2.64 -0.15 0.00 -0.15 0.00 0.00 55.06 52.17 1h2o s HIS 121 Cb -0.10 -1.85 0.04 0.00 1.11 0.00 0.00 32.58 31.78 1h2o s HIS 121 CO 0.04 -0.73 1.18 0.95 -0.85 0.00 0.00 174.74 175.33 1h2o s THR 122 N -0.21 2.46 -0.23 1.30 -4.23 -0.97 -2.09 115.64 111.67 1h2o s THR 122 Ca 0.24 0.22 -0.03 0.00 -1.18 0.00 0.00 61.69 60.94 1h2o s THR 122 Cb -0.12 -2.74 0.01 0.00 1.34 0.00 0.00 72.50 70.99 1h2o s THR 122 CO -0.10 -0.13 -0.05 -0.75 -0.54 0.00 0.00 174.62 173.05 1h2o s LYS 123 N -4.01 3.09 0.27 3.99 2.20 -1.04 -4.80 119.74 119.44 1h2o s LYS 123 Ca 0.72 -0.81 0.00 0.00 -0.36 0.00 0.00 55.97 55.52 1h2o s LYS 123 Cb -0.27 -2.99 0.00 0.00 -1.51 0.00 0.00 37.83 33.06 1h2o s LYS 123 CO 0.46 -0.30 0.00 0.41 -0.36 0.00 0.00 175.35 175.55 1h2o n GLY 124 N 4.73 0.95 2.22 5.54 0.00 -1.26 -4.55 105.19 112.83 1h2o n GLY 124 Ca -0.17 -1.04 -0.23 0.00 0.00 0.00 0.00 46.02 44.58 1h2o n GLY 124 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1h2o n ASN 125 N 0.35 0.66 -4.33 1.61 6.94 -1.26 -5.08 115.26 114.14 1h2o n ASN 125 Ca 0.00 -2.84 -0.17 0.00 -0.02 0.00 0.00 54.58 51.55 1h2o n ASN 125 Cb 0.00 -0.64 -0.10 0.00 -2.36 0.00 0.00 39.78 36.68 1h2o n ASN 125 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1h2o s VAL 126 N -1.64 0.90 0.08 3.53 -7.23 -1.26 -5.17 120.40 109.61 1h2o s VAL 126 Ca 0.37 -2.01 -0.02 0.00 -1.81 0.00 0.00 61.98 58.51 1h2o s VAL 126 Cb 0.21 -2.46 -0.04 0.00 0.56 0.00 0.00 36.38 34.66 1h2o s VAL 126 CO -0.10 -0.21 0.02 -1.61 -0.31 0.00 0.00 175.10 172.89 1h2o s GLU 127 N -3.92 0.72 0.78 4.82 2.02 -1.26 -4.81 118.70 117.05 1h2o s GLU 127 Ca 0.32 -1.25 -0.09 0.00 0.02 0.00 0.00 54.97 53.97 1h2o s GLU 127 Cb 0.07 0.23 0.10 0.00 0.10 0.00 0.00 34.13 34.63 1h2o s GLU 127 CO 0.10 -0.17 1.11 0.42 0.02 0.00 0.00 175.26 176.75 1h2o s ILE 128 N -3.95 2.15 -0.16 -1.63 1.09 -1.26 -4.96 121.20 112.49 1h2o s ILE 128 Ca 0.11 -0.21 -0.04 0.00 -1.10 0.00 0.00 60.65 59.41 1h2o s ILE 128 Cb 0.07 -2.94 -0.03 0.00 -1.06 0.00 0.00 42.46 38.50 1h2o s ILE 128 CO -0.07 0.00 -0.02 -0.54 -0.10 0.00 0.00 174.94 174.21 1h2o s LYS 129 N -5.43 3.72 0.25 2.79 1.02 -1.26 -5.00 119.74 115.83 1h2o s LYS 129 Ca 0.64 -0.49 -0.10 0.00 0.02 0.00 0.00 55.97 56.04 1h2o s LYS 129 Cb -0.09 -2.96 0.37 0.00 -0.52 0.00 0.00 37.83 34.63 1h2o s LYS 129 CO 0.47 0.25 1.60 0.93 -0.92 0.00 0.00 175.35 177.67 1h2o h GLU 130 N 6.70 0.01 -0.35 1.68 4.39 -1.98 1.93 114.58 126.96 1h2o h GLU 130 Ca -0.32 -0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.48 1h2o h GLU 130 Cb 1.19 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.82 1h2o h GLU 130 CO 0.64 0.01 0.65 1.49 -1.16 0.00 0.00 179.01 180.64 1h2o h GLU 131 N 0.01 0.00 0.00 2.33 4.81 -1.96 1.16 114.58 120.93 1h2o h GLU 131 Ca 0.40 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.63 1h2o h GLU 131 Cb 0.63 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.01 1h2o h GLU 131 CO -0.83 0.00 -0.15 1.25 -0.73 0.00 0.00 179.01 178.55 1h2o h HIS 132 N 0.00 0.00 -0.99 0.92 2.76 0.26 -2.86 115.15 115.25 1h2o h HIS 132 Ca 0.17 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.35 1h2o h HIS 132 Cb 1.47 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 30.38 1h2o h HIS 132 CO 0.00 0.00 0.66 -0.24 -1.30 0.00 0.00 177.93 177.05 1h2o h VAL 133 N -0.36 1.25 -0.15 5.26 3.04 -1.00 0.16 116.25 124.45 1h2o h VAL 133 Ca 0.00 -0.46 -0.03 0.00 -1.01 0.00 0.00 66.70 65.20 1h2o h VAL 133 Cb 0.15 -0.20 -0.01 0.00 -2.01 0.00 0.00 31.29 29.22 1h2o h VAL 133 CO 0.00 0.24 -0.01 0.50 -1.01 0.00 0.00 177.57 177.29 1h2o h LYS 134 N 1.34 0.28 -0.33 4.17 1.63 0.12 -1.96 116.57 121.81 1h2o h LYS 134 Ca 0.36 -0.10 -0.04 0.00 -0.85 0.00 0.00 60.65 60.03 1h2o h LYS 134 Cb -0.15 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.44 1h2o h LYS 134 CO -0.08 0.53 0.03 0.00 -3.45 0.00 0.00 179.45 176.48 1h2o h ALA 135 N 0.74 1.44 -0.22 5.00 0.00 -1.22 -1.88 119.26 123.12 1h2o h ALA 135 Ca 0.04 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1h2o h ALA 135 Cb 0.41 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1h2o h ALA 135 CO 0.01 0.40 -0.24 0.78 0.00 0.00 0.00 179.25 180.21 1h2o h GLY 136 N 0.78 0.45 1.25 0.00 0.00 -0.48 -0.51 103.07 104.55 1h2o h GLY 136 Ca 0.11 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 1h2o h GLY 136 CO 0.00 0.32 0.25 0.50 0.00 0.00 0.00 176.54 177.62 1h2o h LYS 137 N 0.37 0.96 0.14 4.80 1.57 -0.55 0.95 116.57 124.80 1h2o h LYS 137 Ca 0.06 -0.16 -0.29 0.00 -1.87 0.00 0.00 60.65 58.39 1h2o h LYS 137 Cb 0.62 -0.16 0.02 0.00 0.08 0.00 0.00 32.23 32.79 1h2o h LYS 137 CO 0.04 0.79 -1.26 1.49 -0.57 0.00 0.00 179.45 179.94 1h2o h GLU 138 N 0.94 0.45 -0.19 3.15 4.81 -1.31 -2.13 114.58 120.31 1h2o h GLU 138 Ca 0.22 -0.67 -0.08 0.00 -0.13 0.00 0.00 59.36 58.70 1h2o h GLU 138 Cb 0.19 0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1h2o h GLU 138 CO -0.02 1.30 -0.26 0.87 -0.73 0.00 0.00 179.01 180.17 1h2o h LYS 139 N 0.17 0.34 0.03 1.92 1.57 -0.81 -1.38 116.57 118.41 1h2o h LYS 139 Ca -0.17 -0.12 -0.12 0.00 -1.87 0.00 0.00 60.65 58.36 1h2o h LYS 139 Cb 1.95 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 34.25 1h2o h LYS 139 CO 0.23 0.58 -0.51 0.00 -0.57 0.00 0.00 179.45 179.18 1h2o h ALA 140 N 1.43 0.02 -0.74 3.86 0.00 -0.85 -2.91 119.26 120.07 1h2o h ALA 140 Ca 0.05 -0.56 0.02 0.00 0.00 0.00 0.00 54.91 54.42 1h2o h ALA 140 Cb 0.62 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1h2o h ALA 140 CO 0.04 0.25 0.48 0.77 0.00 0.00 0.00 179.25 180.79 1h2o h SER 141 N -0.35 0.80 -0.38 0.00 0.02 -1.30 -1.96 113.55 110.38 1h2o h SER 141 Ca -0.07 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.87 1h2o h SER 141 Cb 1.28 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.61 1h2o h SER 141 CO 0.10 0.56 0.25 0.78 -1.14 0.00 0.00 176.83 177.38 1h2o h ASN 142 N 0.94 0.43 -0.65 3.07 2.35 -1.32 -1.74 115.58 118.66 1h2o h ASN 142 Ca 0.29 -0.01 0.05 0.00 -0.55 0.00 0.00 56.30 56.08 1h2o h ASN 142 Cb -0.03 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.20 1h2o h ASN 142 CO -0.09 0.31 0.43 -0.07 -1.65 0.00 0.00 177.43 176.36 1h2o h LEU 143 N 0.51 0.61 -1.21 1.61 3.38 -1.22 -0.45 115.31 118.54 1h2o h LEU 143 Ca 0.14 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 1h2o h LEU 143 Cb -0.05 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1h2o h LEU 143 CO -0.04 0.41 -0.03 -0.26 0.09 0.00 0.00 178.44 178.61 1h2o h PHE 144 N 0.70 0.53 0.00 1.13 0.04 -0.59 -1.26 116.94 117.48 1h2o h PHE 144 Ca 0.27 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.99 1h2o h PHE 144 Cb 0.19 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.19 1h2o h PHE 144 CO -0.00 0.54 0.00 0.87 -0.60 0.00 0.00 178.31 179.12 1h2o h LYS 145 N 0.48 0.00 0.16 1.51 1.57 -0.65 -2.11 116.57 117.54 1h2o h LYS 145 Ca 0.10 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.58 1h2o h LYS 145 Cb 0.36 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.68 1h2o h LYS 145 CO 0.01 0.00 -1.40 -0.07 -0.57 0.00 0.00 179.45 177.43 1h2o h LEU 146 N 0.00 0.54 -0.03 2.94 3.38 -0.96 -2.79 115.31 118.38 1h2o h LEU 146 Ca 0.00 -0.61 -0.02 0.00 0.09 0.00 0.00 57.88 57.34 1h2o h LEU 146 Cb 0.50 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1h2o h LEU 146 CO 0.00 1.49 -0.04 0.40 0.09 0.00 0.00 178.44 180.38 1h2o h ILE 147 N 0.09 1.40 -0.97 1.22 2.04 -1.23 0.25 117.51 120.32 1h2o h ILE 147 Ca -0.20 -1.26 0.16 0.00 1.00 0.00 0.00 64.86 64.55 1h2o h ILE 147 Cb 2.04 2.18 -0.09 0.00 -0.74 0.00 0.00 36.82 40.21 1h2o h ILE 147 CO 0.21 0.34 0.61 -0.33 0.00 0.00 0.00 178.15 178.98 1h2o h GLU 148 N -0.40 0.77 0.00 2.37 5.08 -1.49 0.32 114.58 121.22 1h2o h GLU 148 Ca 0.00 -0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 58.14 1h2o h GLU 148 Cb 0.57 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1h2o h GLU 148 CO 0.01 0.51 -0.83 1.15 -1.00 0.00 0.00 179.01 178.85 1h2o h THR 149 N 0.79 1.59 -0.32 1.13 2.02 -1.32 -2.18 112.91 114.62 1h2o h THR 149 Ca 0.51 -2.82 0.07 0.00 0.77 0.00 0.00 66.41 64.94 1h2o h THR 149 Cb 0.75 2.52 -0.08 0.00 -1.74 0.00 0.00 68.15 69.61 1h2o h THR 149 CO -0.28 0.81 -0.24 0.22 0.37 0.00 0.00 175.52 176.39 1h2o h TYR 150 N 0.01 -0.64 0.00 3.16 3.20 0.32 -0.65 116.97 122.37 1h2o h TYR 150 Ca -0.01 0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.80 1h2o h TYR 150 Cb 1.47 0.33 -0.02 0.00 1.54 0.00 0.00 36.73 40.05 1h2o h TYR 150 CO 0.00 -0.32 -0.51 -0.07 -1.64 0.00 0.00 178.16 175.62 1h2o h LEU 151 N -0.21 0.00 -1.85 2.82 3.38 -1.52 0.12 115.31 118.05 1h2o h LEU 151 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1h2o h LEU 151 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1h2o h LEU 151 CO -0.44 0.50 0.00 0.50 0.09 0.00 0.00 178.44 179.09 1h2o h LYS 152 N 0.00 0.00 0.00 1.13 3.64 -0.49 -3.02 116.57 117.84 1h2o h LYS 152 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1h2o h LYS 152 Cb 1.39 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.21 1h2o h LYS 152 CO 0.06 0.00 -0.98 0.41 -2.27 0.00 0.00 179.45 176.67 1h2o n GLY 153 N -0.78 0.00 3.21 5.01 0.00 -0.52 -4.90 105.19 107.21 1h2o n GLY 153 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.98 3.56 -2.00 1.61 3.76 0.41 -4.88 115.29 115.77 1h2o s HIS 154 Ca 0.00 -2.31 0.16 0.00 -0.15 0.00 0.00 55.06 52.76 1h2o s HIS 154 Cb 0.00 -3.50 0.96 0.00 1.11 0.00 0.00 32.58 31.14 1h2o s HIS 154 CO 0.00 -0.92 1.41 -0.35 -0.85 0.00 0.00 174.74 174.03 1h2o n PRO 155 N 3.84 0.67 0.00 8.40 -0.04 -1.26 -2.45 135.00 144.17 1h2o n PRO 155 Ca 0.09 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.58 1h2o n PRO 155 Cb 0.42 -1.37 -0.04 0.00 -0.04 0.00 0.00 33.50 32.47 1h2o n PRO 155 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1h2o n ASP 156 N -0.87 0.40 -4.42 3.54 8.00 -1.26 -4.73 116.55 117.20 1h2o n ASP 156 Ca 0.12 -0.70 -0.54 0.00 0.71 0.00 0.00 54.79 54.38 1h2o n ASP 156 Cb 0.06 0.96 -0.08 0.00 -0.02 0.00 0.00 41.12 42.03 1h2o n ASP 156 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h2o n ALA 157 N -1.10 0.72 -2.29 2.24 0.00 -1.02 -1.43 120.51 117.62 1h2o n ALA 157 Ca 0.02 0.05 -0.05 0.00 0.00 0.00 0.00 53.44 53.46 1h2o n ALA 157 Cb 0.12 -2.39 -0.01 0.00 0.00 0.00 0.00 19.45 17.17 1h2o n ALA 157 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1h2o n TYR 158 N 8.76 -1.41 -0.53 0.00 0.18 -1.26 -5.00 117.16 117.89 1h2o n TYR 158 Ca 0.43 0.08 0.00 0.00 1.88 0.00 0.00 57.90 60.29 1h2o n TYR 158 Cb 0.15 -0.86 0.00 0.00 -0.38 0.00 0.00 39.34 38.25 1h2o n TYR 158 CO 0.00 0.00 0.00 -1.71 -2.08 0.00 0.00 176.86 173.07