#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 1.76 0.47 1.61 1.01 -1.26 -3.36 120.40 120.63 1h2o s VAL 2 Ca 0.00 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 61.05 1h2o s VAL 2 Cb 0.00 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 1h2o s VAL 2 CO 0.00 0.50 0.74 -0.36 0.00 0.00 0.00 175.10 175.98 1h2o s PHE 3 N 0.03 3.47 -0.31 5.22 0.40 -0.44 -4.85 117.98 121.50 1h2o s PHE 3 Ca -0.06 0.64 -0.01 0.00 -0.60 0.00 0.00 56.93 56.89 1h2o s PHE 3 Cb -0.14 -2.28 0.13 0.00 0.51 0.00 0.00 43.02 41.24 1h2o s PHE 3 CO 0.04 -0.28 0.25 0.99 0.70 0.00 0.00 175.22 176.92 1h2o s THR 4 N -2.67 -0.21 0.03 0.64 2.01 -1.26 -2.40 115.64 111.78 1h2o s THR 4 Ca 0.47 -0.85 0.06 0.00 0.31 0.00 0.00 61.69 61.68 1h2o s THR 4 Cb -0.10 -0.95 -0.03 0.00 0.01 0.00 0.00 72.50 71.43 1h2o s THR 4 CO 0.42 -0.64 -0.16 -0.31 -0.69 0.00 0.00 174.62 173.24 1h2o s TYR 5 N 1.91 2.61 0.04 4.92 2.02 0.22 -4.96 117.35 124.11 1h2o s TYR 5 Ca 0.12 -0.23 0.01 0.00 -0.37 0.00 0.00 57.07 56.60 1h2o s TYR 5 Cb -0.16 -1.49 -0.03 0.00 -0.40 0.00 0.00 41.96 39.88 1h2o s TYR 5 CO -0.23 0.26 -0.05 -1.83 -1.57 0.00 0.00 175.55 172.13 1h2o s GLU 6 N -1.39 0.46 0.12 -0.62 -1.05 -1.26 0.11 118.70 115.07 1h2o s GLU 6 Ca 0.15 -0.81 0.10 0.00 -0.15 0.00 0.00 54.97 54.26 1h2o s GLU 6 Cb -0.11 -0.01 -0.04 0.00 -0.44 0.00 0.00 34.13 33.54 1h2o s GLU 6 CO 0.05 -0.03 -0.24 -1.12 0.95 0.00 0.00 175.26 174.87 1h2o s SER 7 N -1.85 2.96 -0.09 0.83 0.01 -0.36 -4.93 113.70 110.27 1h2o s SER 7 Ca -0.08 -0.73 -0.01 0.00 1.31 0.00 0.00 55.95 56.44 1h2o s SER 7 Cb -0.06 -0.18 0.03 0.00 0.21 0.00 0.00 66.02 66.01 1h2o s SER 7 CO -0.02 0.12 -0.03 -1.61 0.41 0.00 0.00 173.24 172.11 1h2o s GLU 8 N -2.03 0.97 0.14 12.44 2.02 -1.26 -0.09 118.70 130.88 1h2o s GLU 8 Ca 0.11 -0.04 -0.01 0.00 0.02 0.00 0.00 54.97 55.05 1h2o s GLU 8 Cb -0.10 -1.22 0.00 0.00 0.10 0.00 0.00 34.13 32.92 1h2o s GLU 8 CO 0.05 -0.29 0.20 1.97 0.02 0.00 0.00 175.26 177.22 1h2o n PHE 9 N 5.06 -0.88 -4.21 1.61 -1.74 -0.64 -4.99 117.46 111.67 1h2o n PHE 9 Ca -0.09 -0.91 -0.13 0.00 -0.56 0.00 0.00 57.45 55.76 1h2o n PHE 9 Cb 0.50 0.23 -0.10 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 -2.59 0.00 -0.16 1.97 -4.23 -1.26 0.15 115.64 109.52 1h2o s THR 10 Ca 0.11 -1.98 -0.12 0.00 -1.18 0.00 0.00 61.69 58.51 1h2o s THR 10 Cb -0.00 -2.49 0.05 0.00 1.34 0.00 0.00 72.50 71.39 1h2o s THR 10 CO 0.08 0.00 0.41 -0.94 -0.54 0.00 0.00 174.62 173.63 1h2o s SER 11 N -3.20 -0.46 0.44 3.99 1.04 0.63 -4.86 113.70 111.28 1h2o s SER 11 Ca 0.39 0.85 0.11 0.00 0.48 0.00 0.00 55.95 57.78 1h2o s SER 11 Cb 0.06 0.81 0.96 0.00 0.10 0.00 0.00 66.02 67.95 1h2o s SER 11 CO 0.15 -0.16 2.03 -0.33 0.98 0.00 0.00 173.24 175.91 1h2o h GLU 12 N 6.14 0.24 -7.06 4.02 5.08 -1.91 1.45 114.58 122.53 1h2o h GLU 12 Ca -0.31 -0.03 -0.50 0.00 -1.00 0.00 0.00 59.36 57.53 1h2o h GLU 12 Cb 1.18 -0.05 0.06 0.00 0.50 0.00 0.00 28.75 30.45 1h2o h GLU 12 CO 0.27 0.25 0.43 0.42 -1.00 0.00 0.00 179.01 179.38 1h2o s ILE 13 N -5.04 3.29 0.43 3.13 -1.09 -1.26 -4.46 121.20 116.20 1h2o s ILE 13 Ca -0.06 0.84 -0.25 0.00 -2.23 0.00 0.00 60.65 58.95 1h2o s ILE 13 Cb 0.16 -3.36 -0.08 0.00 -1.58 0.00 0.00 42.46 37.60 1h2o s ILE 13 CO 0.71 -0.14 1.30 -2.16 -1.23 0.00 0.00 174.94 173.42 1h2o s PRO 14 N -3.14 3.83 0.26 2.79 0.04 -1.26 -4.20 135.00 133.32 1h2o s PRO 14 Ca 0.70 2.13 0.07 0.00 0.04 0.00 0.00 61.00 63.94 1h2o s PRO 14 Cb -0.23 -2.65 0.32 0.00 0.04 0.00 0.00 34.50 31.98 1h2o s PRO 14 CO 0.27 -0.60 1.60 -1.00 0.04 0.00 0.00 177.00 177.31 1h2o h PRO 15 N 2.43 0.14 0.00 0.56 0.13 -1.91 -2.80 132.00 130.54 1h2o h PRO 15 Ca -0.50 -0.09 -0.02 0.00 -0.87 0.00 0.00 66.00 64.52 1h2o h PRO 15 Cb 1.25 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 1h2o h PRO 15 CO 0.62 0.69 -0.09 -1.00 -0.23 0.00 0.00 178.00 177.99 1h2o h PRO 16 N 0.10 0.00 0.06 1.56 0.13 -1.95 0.88 132.00 132.78 1h2o h PRO 16 Ca -0.01 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.00 1h2o h PRO 16 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1h2o h PRO 16 CO 0.09 0.09 -0.60 0.00 -0.23 0.00 0.00 178.00 177.34 1h2o h ARG 17 N 0.00 0.13 -0.18 0.86 3.08 -1.88 -2.73 114.38 113.65 1h2o h ARG 17 Ca -0.00 -0.21 -0.14 0.00 0.07 0.00 0.00 59.98 59.69 1h2o h ARG 17 Cb 0.52 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 1h2o h ARG 17 CO 0.01 1.10 -0.48 1.25 -1.07 0.00 0.00 179.97 180.78 1h2o h LEU 18 N -0.71 0.51 0.90 3.04 7.12 -1.32 -2.59 115.31 122.25 1h2o h LEU 18 Ca -0.13 -0.25 -0.04 0.00 0.13 0.00 0.00 57.88 57.59 1h2o h LEU 18 Cb 1.34 -0.14 0.01 0.00 -0.53 0.00 0.00 40.66 41.34 1h2o h LEU 18 CO 0.03 0.91 -0.43 0.15 -0.13 0.00 0.00 178.44 178.97 1h2o h PHE 19 N 0.37 -1.12 -0.94 1.25 3.57 0.69 0.74 116.94 121.51 1h2o h PHE 19 Ca 0.02 -0.03 0.21 0.00 3.53 0.00 0.00 57.97 61.70 1h2o h PHE 19 Cb 0.99 0.37 -0.08 0.00 2.79 0.00 0.00 35.95 40.02 1h2o h PHE 19 CO 0.03 -0.69 0.61 0.87 -2.23 0.00 0.00 178.31 176.90 1h2o h LYS 20 N -1.26 0.46 0.02 1.11 1.57 -1.51 0.37 116.57 117.34 1h2o h LYS 20 Ca -0.12 -0.03 -0.21 0.00 -1.87 0.00 0.00 60.65 58.42 1h2o h LYS 20 Cb 0.93 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 1h2o h LYS 20 CO 0.20 0.30 -0.96 0.00 -0.57 0.00 0.00 179.45 178.42 1h2o h ALA 21 N 1.61 0.42 0.21 3.86 0.00 -1.02 2.18 119.26 126.52 1h2o h ALA 21 Ca 0.50 -0.79 -0.28 0.00 0.00 0.00 0.00 54.91 54.34 1h2o h ALA 21 Cb 1.16 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.89 1h2o h ALA 21 CO -0.22 1.00 -1.24 0.35 0.00 0.00 0.00 179.25 179.14 1h2o h PHE 22 N 0.07 0.79 0.00 0.00 3.57 0.31 0.11 116.94 121.79 1h2o h PHE 22 Ca -0.05 -0.58 -0.33 0.00 3.53 0.00 0.00 57.97 60.54 1h2o h PHE 22 Cb 1.63 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 40.29 1h2o h PHE 22 CO 0.03 1.48 -2.09 0.28 -2.23 0.00 0.00 178.31 175.78 1h2o n VAL 23 N -3.88 1.26 1.02 1.41 0.31 0.10 -3.60 118.33 114.95 1h2o n VAL 23 Ca -0.17 -0.25 0.14 0.00 -0.01 0.00 0.00 64.34 64.05 1h2o n VAL 23 Cb 0.99 -1.85 0.62 0.00 -0.91 0.00 0.00 33.84 32.69 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 -4.04 0.01 -2.26 7.52 4.32 -0.19 -4.06 117.00 118.30 1h2o n LEU 24 Ca -0.40 0.48 -0.01 0.00 -0.02 0.00 0.00 56.01 56.06 1h2o n LEU 24 Cb 0.77 -0.49 0.05 0.00 -1.62 0.00 0.00 43.42 42.13 1h2o n LEU 24 CO 0.04 0.00 0.24 0.47 -1.22 0.00 0.00 177.39 176.92 1h2o n ASP 25 N -1.49 0.24 0.15 -1.43 9.92 0.72 -4.87 116.55 119.79 1h2o n ASP 25 Ca 0.07 -2.07 0.03 0.00 -0.53 0.00 0.00 54.79 52.30 1h2o n ASP 25 Cb 0.34 -0.00 0.14 0.00 -0.64 0.00 0.00 41.12 40.95 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 1.46 0.77 0.00 2.24 0.00 -0.84 -1.58 119.26 121.32 1h2o h ALA 26 Ca -0.31 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1h2o h ALA 26 Cb 1.42 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1h2o h ALA 26 CO -0.01 0.61 0.00 -0.44 0.00 0.00 0.00 179.25 179.41 1h2o h ASP 27 N 0.00 0.00 0.00 0.00 3.32 -1.88 -2.74 116.42 115.13 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 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1h2o h ASP 27 CO 0.06 0.00 -0.03 -0.46 -1.72 0.00 0.00 179.24 177.09 1h2o n ASN 28 N -2.33 0.97 -0.11 6.45 0.23 -1.14 -4.62 115.26 114.70 1h2o n ASN 28 Ca 0.01 -1.60 -0.25 0.00 -0.53 0.00 0.00 54.58 52.20 1h2o n ASN 28 Cb 0.16 -0.04 -0.11 0.00 -2.08 0.00 0.00 39.78 37.71 1h2o n ASN 28 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 1h2o n LEU 29 N -0.29 1.99 0.13 -4.53 -0.00 -0.61 -4.13 117.00 109.56 1h2o n LEU 29 Ca 0.01 0.35 -0.02 0.00 -0.00 0.00 0.00 56.01 56.35 1h2o n LEU 29 Cb 0.42 -0.91 0.12 0.00 -0.00 0.00 0.00 43.42 43.05 1h2o n LEU 29 CO 0.00 0.46 0.44 -0.37 -0.00 0.00 0.00 177.39 177.92 1h2o h VAL 30 N -0.89 1.45 0.00 1.96 -1.51 -1.84 -0.91 116.25 114.51 1h2o h VAL 30 Ca -0.51 -2.33 0.00 0.00 -1.23 0.00 0.00 66.70 62.63 1h2o h VAL 30 Cb 1.50 2.27 0.00 0.00 -2.13 0.00 0.00 31.29 32.93 1h2o h VAL 30 CO -0.28 0.66 0.00 -0.81 -1.23 0.00 0.00 177.57 175.91 1h2o n PRO 31 N -3.69 0.94 0.00 5.19 -0.04 -1.26 -1.74 135.00 134.40 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 0.67 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.83 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 -0.80 1.23 0.14 0.54 5.02 -1.11 -4.41 118.16 118.77 1h2o n LYS 32 Ca 0.13 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.44 1h2o n LYS 32 Cb 0.06 -0.89 0.02 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 -0.52 0.00 0.00 177.40 177.70 1h2o h ILE 33 N 0.00 0.90 -0.51 -0.18 2.04 -1.22 -3.43 117.51 115.12 1h2o h ILE 33 Ca 0.00 -2.27 0.08 0.00 1.00 0.00 0.00 64.86 63.67 1h2o h ILE 33 Cb 0.78 2.44 -0.18 0.00 -0.74 0.00 0.00 36.82 39.12 1h2o h ILE 33 CO 0.00 0.51 -0.22 0.00 0.00 0.00 0.00 178.15 178.45 1h2o s ALA 34 N -2.95 -3.64 -1.71 1.87 0.00 -0.71 -5.00 121.76 109.62 1h2o s ALA 34 Ca 0.04 0.96 0.17 0.00 0.00 0.00 0.00 51.96 53.13 1h2o s ALA 34 Cb 0.08 -2.88 0.93 0.00 0.00 0.00 0.00 23.12 21.24 1h2o s ALA 34 CO 0.75 -2.32 1.45 -0.35 0.00 0.00 0.00 175.76 175.29 1h2o n PRO 35 N 4.21 0.38 -0.25 0.00 -0.04 -1.22 -2.40 135.00 135.68 1h2o n PRO 35 Ca 0.08 0.07 0.07 0.00 -0.04 0.00 0.00 63.50 63.67 1h2o n PRO 35 Cb 0.60 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.76 1h2o n PRO 35 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1h2o n GLN 36 N -1.14 2.13 -0.04 0.54 10.64 -1.26 -4.25 117.38 124.00 1h2o n GLN 36 Ca 0.10 -1.63 -0.08 0.00 -1.83 0.00 0.00 57.00 53.56 1h2o n GLN 36 Cb 0.09 -1.39 -0.03 0.00 -0.86 0.00 0.00 30.24 28.06 1h2o n GLN 36 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1h2o n ALA 37 N 0.78 2.50 -2.80 2.61 0.00 -1.01 -4.54 120.51 118.05 1h2o n ALA 37 Ca 0.15 -0.30 -0.32 0.00 0.00 0.00 0.00 53.44 52.98 1h2o n ALA 37 Cb 0.41 0.40 -0.16 0.00 0.00 0.00 0.00 19.45 20.10 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 -2.14 2.08 -0.15 0.00 1.09 -1.26 -4.02 121.20 116.80 1h2o s ILE 38 Ca -0.10 -1.05 0.17 0.00 -1.10 0.00 0.00 60.65 58.57 1h2o s ILE 38 Cb 0.04 -1.75 -0.06 0.00 -1.06 0.00 0.00 42.46 39.62 1h2o s ILE 38 CO 0.13 0.57 1.01 0.50 -0.10 0.00 0.00 174.94 177.05 1h2o h LYS 39 N 6.14 0.00 -1.05 2.79 3.64 0.23 -3.44 116.57 124.89 1h2o h LYS 39 Ca -0.30 0.00 0.28 0.00 -1.27 0.00 0.00 60.65 59.35 1h2o h LYS 39 Cb 1.18 0.00 -0.25 0.00 -0.41 0.00 0.00 32.23 32.75 1h2o h LYS 39 CO 0.47 0.29 0.97 -1.58 -2.27 0.00 0.00 179.45 177.33 1h2o s HIS 40 N -3.00 -0.02 -0.10 1.91 5.04 -1.24 -4.96 115.29 112.92 1h2o s HIS 40 Ca -0.01 0.03 0.01 0.00 -1.54 0.00 0.00 55.06 53.55 1h2o s HIS 40 Cb 0.08 0.50 0.02 0.00 0.04 0.00 0.00 32.58 33.22 1h2o s HIS 40 CO 0.79 -0.02 -0.12 -1.12 -2.34 0.00 0.00 174.74 171.93 1h2o s SER 41 N -1.37 2.22 -0.16 9.88 0.01 -1.26 -0.82 113.70 122.19 1h2o s SER 41 Ca 0.10 -0.36 -0.03 0.00 1.31 0.00 0.00 55.95 56.97 1h2o s SER 41 Cb -0.01 -0.96 0.05 0.00 0.21 0.00 0.00 66.02 65.32 1h2o s SER 41 CO -0.06 -0.03 0.05 -0.70 0.41 0.00 0.00 173.24 172.91 1h2o s GLU 42 N 1.17 0.45 0.26 12.44 2.12 -1.20 -4.97 118.70 128.96 1h2o s GLU 42 Ca -0.04 -0.22 -0.31 0.00 0.36 0.00 0.00 54.97 54.76 1h2o s GLU 42 Cb -0.14 -1.81 -0.12 0.00 0.26 0.00 0.00 34.13 32.31 1h2o s GLU 42 CO -0.03 -0.59 1.55 -0.89 -0.54 0.00 0.00 175.26 174.76 1h2o n ILE 43 N 5.14 0.82 -0.07 -3.70 5.41 -1.26 -2.36 119.36 123.34 1h2o n ILE 43 Ca -0.08 -0.21 -0.06 0.00 1.00 0.00 0.00 62.75 63.41 1h2o n ILE 43 Cb 0.48 -1.79 -0.13 0.00 -0.71 0.00 0.00 39.64 37.49 1h2o n ILE 43 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1h2o n LEU 44 N 2.44 0.00 -4.36 1.39 4.77 0.66 -4.88 117.00 117.02 1h2o n LEU 44 Ca 0.11 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.91 1h2o n LEU 44 Cb 0.34 0.36 -0.10 0.00 -2.33 0.00 0.00 43.42 41.69 1h2o n LEU 44 CO 0.63 0.36 -0.34 0.26 -1.33 0.00 0.00 177.39 176.97 1h2o s TRP 45 N -2.52 1.67 0.00 -1.77 0.52 -0.75 -4.83 118.94 111.25 1h2o s TRP 45 Ca -0.08 -0.85 0.00 0.00 0.02 0.00 0.00 56.10 55.19 1h2o s TRP 45 Cb 0.06 -0.96 0.00 0.00 -1.15 0.00 0.00 33.47 31.42 1h2o s TRP 45 CO 0.70 0.06 0.00 0.41 0.02 0.00 0.00 176.95 178.14 1h2o n GLY 46 N -0.46 1.96 0.49 0.98 0.00 -1.26 -3.24 105.19 103.66 1h2o n GLY 46 Ca -0.05 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.30 0.00 0.00 1.61 9.92 -1.26 -4.95 116.55 121.57 1h2o n ASP 47 Ca 0.00 -1.14 0.00 0.00 -0.53 0.00 0.00 54.79 53.12 1h2o n ASP 47 Cb 0.00 -0.03 0.00 0.00 -0.64 0.00 0.00 41.12 40.45 1h2o n ASP 47 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1h2o n GLY 48 N 0.00 1.59 0.15 0.44 0.00 -1.26 -5.11 105.19 101.00 1h2o n GLY 48 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.59 3.71 -0.02 0.00 -1.26 -4.89 105.19 101.13 1h2o n GLY 49 Ca 0.00 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 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 -3.11 4.41 0.00 1.61 0.04 -1.26 -2.70 135.00 133.99 1h2o s PRO 50 Ca 0.03 1.80 0.00 0.00 0.04 0.00 0.00 61.00 62.87 1h2o s PRO 50 Cb -0.00 -3.37 0.00 0.00 0.04 0.00 0.00 34.50 31.17 1h2o s PRO 50 CO 0.02 -0.31 0.00 0.41 0.04 0.00 0.00 177.00 177.17 1h2o n GLY 51 N 3.28 0.17 3.80 0.56 0.00 0.41 -4.96 105.19 108.44 1h2o n GLY 51 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 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 3.77 -0.11 2.61 2.01 -1.10 -4.63 115.64 116.20 1h2o s THR 52 Ca 0.00 0.62 0.00 0.00 0.31 0.00 0.00 61.69 62.62 1h2o s THR 52 Cb 0.00 -3.25 0.02 0.00 0.01 0.00 0.00 72.50 69.28 1h2o s THR 52 CO 0.00 -0.71 -0.09 -0.63 -0.69 0.00 0.00 174.62 172.50 1h2o s ILE 53 N -2.89 1.10 -0.01 1.82 1.01 -1.20 0.13 121.20 121.16 1h2o s ILE 53 Ca 0.60 -0.35 -0.00 0.00 0.00 0.00 0.00 60.65 60.89 1h2o s ILE 53 Cb -0.15 -1.09 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 1h2o s ILE 53 CO 0.52 0.38 0.07 -0.54 0.00 0.00 0.00 174.94 175.37 1h2o s LYS 54 N 1.54 3.05 -0.59 2.79 1.02 0.35 0.24 119.74 128.14 1h2o s LYS 54 Ca 0.02 -0.48 0.00 0.00 0.02 0.00 0.00 55.97 55.53 1h2o s LYS 54 Cb -0.13 -2.85 0.15 0.00 -0.52 0.00 0.00 37.83 34.48 1h2o s LYS 54 CO -0.07 0.65 0.37 0.21 -0.92 0.00 0.00 175.35 175.59 1h2o s LYS 55 N -1.67 2.34 0.15 1.68 2.20 -0.99 0.13 119.74 123.56 1h2o s LYS 55 Ca 0.22 -2.60 -0.30 0.00 -0.36 0.00 0.00 55.97 52.93 1h2o s LYS 55 Cb -0.12 -3.56 -0.07 0.00 -1.51 0.00 0.00 37.83 32.57 1h2o s LYS 55 CO 0.13 -1.15 0.96 0.42 -0.36 0.00 0.00 175.35 175.35 1h2o s ILE 56 N -0.20 4.38 0.14 5.43 1.01 -0.49 -3.23 121.20 128.23 1h2o s ILE 56 Ca 0.17 2.08 0.06 0.00 0.00 0.00 0.00 60.65 62.96 1h2o s ILE 56 Cb -0.22 -4.32 -0.04 0.00 0.01 0.00 0.00 42.46 37.88 1h2o s ILE 56 CO -0.02 0.37 0.02 0.42 0.00 0.00 0.00 174.94 175.73 1h2o s THR 57 N -0.32 3.99 0.15 2.92 -4.23 -0.00 0.90 115.64 119.06 1h2o s THR 57 Ca 0.45 -1.17 0.09 0.00 -1.18 0.00 0.00 61.69 59.88 1h2o s THR 57 Cb -0.24 -2.97 -0.04 0.00 1.34 0.00 0.00 72.50 70.59 1h2o s THR 57 CO 0.30 -0.01 -0.14 -0.36 -0.54 0.00 0.00 174.62 173.87 1h2o s PHE 58 N -1.55 2.57 -0.98 3.99 0.08 0.77 0.21 117.98 123.08 1h2o s PHE 58 Ca 0.27 -0.24 0.15 0.00 0.12 0.00 0.00 56.93 57.23 1h2o s PHE 58 Cb -0.10 -1.30 -0.10 0.00 -0.57 0.00 0.00 43.02 40.95 1h2o s PHE 58 CO 0.19 0.46 0.70 0.41 -0.10 0.00 0.00 175.22 176.89 1h2o n GLY 59 N 0.37 -0.25 3.70 4.36 0.00 -1.26 -4.31 105.19 107.80 1h2o n GLY 59 Ca -0.13 -0.43 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 1h2o n GLY 59 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1h2o s GLU 60 N -2.16 2.75 0.00 1.61 2.56 -1.26 -4.99 118.70 117.20 1h2o s GLU 60 Ca 0.08 -0.67 0.00 0.00 0.00 0.00 0.00 54.97 54.38 1h2o s GLU 60 Cb 0.12 -2.65 0.00 0.00 2.00 0.00 0.00 34.13 33.60 1h2o s GLU 60 CO 0.51 0.60 0.00 0.41 -0.56 0.00 0.00 175.26 176.22 1h2o n GLY 61 N 1.07 -0.40 3.19 -1.50 0.00 -1.26 -4.85 105.19 101.44 1h2o n GLY 61 Ca -0.13 -1.91 -0.27 0.00 0.00 0.00 0.00 46.02 43.72 1h2o n GLY 61 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1h2o n SER 62 N 0.00 -3.50 -0.24 1.61 3.41 -1.26 -4.88 113.62 108.76 1h2o n SER 62 Ca 0.00 -0.62 -0.08 0.00 -0.26 0.00 0.00 58.87 57.91 1h2o n SER 62 Cb 0.00 -0.97 0.04 0.00 -0.26 0.00 0.00 64.21 63.02 1h2o n SER 62 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1h2o h GLN 63 N -3.21 1.11 -4.56 4.33 4.20 -1.96 -3.38 115.11 111.63 1h2o h GLN 63 Ca -0.39 -0.28 -0.70 0.00 0.06 0.00 0.00 58.65 57.33 1h2o h GLN 63 Cb 1.18 -0.14 -0.31 0.00 0.30 0.00 0.00 27.48 28.51 1h2o h GLN 63 CO 0.26 1.00 -0.56 0.71 -0.67 0.00 0.00 178.83 179.57 1h2o s TYR 64 N -5.26 3.38 -0.47 2.96 2.02 -1.26 -5.01 117.35 113.71 1h2o s TYR 64 Ca -0.12 -1.83 0.03 0.00 -0.37 0.00 0.00 57.07 54.78 1h2o s TYR 64 Cb 0.14 -2.75 0.16 0.00 -0.40 0.00 0.00 41.96 39.11 1h2o s TYR 64 CO 0.85 -0.85 0.32 0.20 -1.57 0.00 0.00 175.55 174.50 1h2o s GLY 65 N 1.74 1.66 0.21 0.71 0.00 -1.26 -4.99 107.32 105.39 1h2o s GLY 65 Ca 0.02 -2.71 0.04 0.00 0.00 0.00 0.00 44.72 42.07 1h2o s GLY 65 CO -0.00 1.72 -0.03 -2.52 0.00 0.00 0.00 173.10 172.27 1h2o s TYR 66 N -0.04 1.49 0.32 1.90 -0.85 -1.26 0.27 117.35 119.19 1h2o s TYR 66 Ca 0.25 -0.87 0.03 0.00 -0.52 0.00 0.00 57.07 55.96 1h2o s TYR 66 Cb -0.10 -0.84 -0.04 0.00 0.38 0.00 0.00 41.96 41.37 1h2o s TYR 66 CO -0.10 0.00 0.14 0.14 -1.52 0.00 0.00 175.55 174.21 1h2o s VAL 67 N -3.38 0.46 -0.12 -3.49 -7.23 0.26 -4.16 120.40 102.74 1h2o s VAL 67 Ca 0.25 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.42 1h2o s VAL 67 Cb 0.05 -2.51 0.02 0.00 0.56 0.00 0.00 36.38 34.50 1h2o s VAL 67 CO 0.07 0.00 -0.10 -0.54 -0.31 0.00 0.00 175.10 174.22 1h2o s LYS 68 N -3.81 1.74 -0.21 4.82 1.02 -1.23 -1.39 119.74 120.68 1h2o s LYS 68 Ca 0.34 -0.35 -0.04 0.00 0.02 0.00 0.00 55.97 55.94 1h2o s LYS 68 Cb 0.05 -1.70 -0.02 0.00 -0.52 0.00 0.00 37.83 35.64 1h2o s LYS 68 CO 0.17 -0.23 -0.03 -1.01 -0.92 0.00 0.00 175.35 173.33 1h2o s HIS 69 N 1.55 2.98 -0.31 3.18 3.76 0.34 -2.07 115.29 124.73 1h2o s HIS 69 Ca 0.03 -0.72 -0.16 0.00 -0.15 0.00 0.00 55.06 54.07 1h2o s HIS 69 Cb -0.13 -2.09 -0.02 0.00 1.11 0.00 0.00 32.58 31.45 1h2o s HIS 69 CO -0.08 -0.41 0.41 0.21 -0.85 0.00 0.00 174.74 174.03 1h2o s LYS 70 N 1.25 3.79 0.09 1.40 2.20 0.36 0.13 119.74 128.97 1h2o s LYS 70 Ca 0.03 -0.13 -0.31 0.00 -0.36 0.00 0.00 55.97 55.21 1h2o s LYS 70 Cb -0.14 -3.73 -0.09 0.00 -1.51 0.00 0.00 37.83 32.35 1h2o s LYS 70 CO -0.00 -0.44 1.78 0.42 -0.36 0.00 0.00 175.35 176.75 1h2o s ILE 71 N 2.14 2.76 -0.26 5.43 -1.09 0.34 0.11 121.20 130.63 1h2o s ILE 71 Ca 0.15 0.20 -0.01 0.00 -2.23 0.00 0.00 60.65 58.76 1h2o s ILE 71 Cb -0.16 -3.13 -0.16 0.00 -1.58 0.00 0.00 42.46 37.43 1h2o s ILE 71 CO 0.11 -0.00 -0.24 0.47 -1.23 0.00 0.00 174.94 174.05 1h2o n ASP 72 N 5.85 1.98 -3.56 3.58 8.00 0.27 0.16 116.55 132.83 1h2o n ASP 72 Ca 0.17 -0.04 -0.07 0.00 0.71 0.00 0.00 54.79 55.56 1h2o n ASP 72 Cb 0.39 -0.50 -0.02 0.00 -0.02 0.00 0.00 41.12 40.97 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 -6.71 -0.26 0.07 -2.24 1.04 0.24 -4.64 113.70 101.20 1h2o s SER 73 Ca -0.35 0.05 0.01 0.00 0.48 0.00 0.00 55.95 56.14 1h2o s SER 73 Cb 0.10 0.26 -0.04 0.00 0.10 0.00 0.00 66.02 66.44 1h2o s SER 73 CO 0.58 -0.40 -0.05 -0.63 0.98 0.00 0.00 173.24 173.72 1h2o s ILE 74 N -2.49 0.49 -0.47 -1.02 1.01 -1.26 -0.71 121.20 116.75 1h2o s ILE 74 Ca 0.06 -1.75 0.03 0.00 0.00 0.00 0.00 60.65 58.99 1h2o s ILE 74 Cb -0.01 -1.45 0.16 0.00 0.01 0.00 0.00 42.46 41.17 1h2o s ILE 74 CO -0.06 -0.85 0.34 -1.81 0.00 0.00 0.00 174.94 172.56 1h2o s ASP 75 N -2.77 2.78 0.00 3.58 1.01 0.49 -4.91 116.67 116.85 1h2o s ASP 75 Ca 0.07 -3.03 0.19 0.00 0.71 0.00 0.00 52.55 50.49 1h2o s ASP 75 Cb 0.04 -0.80 0.84 0.00 1.01 0.00 0.00 42.92 44.00 1h2o s ASP 75 CO -0.06 -0.19 1.62 0.29 0.21 0.00 0.00 175.17 177.05 1h2o n LYS 76 N 2.95 0.01 -0.04 8.23 5.02 -1.26 0.16 118.16 133.23 1h2o n LYS 76 Ca 0.21 0.16 -0.19 0.00 -2.02 0.00 0.00 58.31 56.47 1h2o n LYS 76 Cb 0.41 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.79 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 -1.49 0.72 -0.12 1.97 1.02 -1.26 -4.36 120.64 117.11 1h2o n GLU 77 Ca 0.05 0.22 0.05 0.00 -0.02 0.00 0.00 57.16 57.46 1h2o n GLU 77 Cb 0.23 -1.65 0.12 0.00 -0.02 0.00 0.00 31.44 30.11 1h2o n GLU 77 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1h2o n ASN 78 N -3.36 2.62 -3.27 1.62 0.23 -1.16 -5.02 115.26 106.91 1h2o n ASN 78 Ca -0.35 -1.86 -0.15 0.00 -0.53 0.00 0.00 54.58 51.69 1h2o n ASN 78 Cb 1.03 -0.16 0.06 0.00 -2.08 0.00 0.00 39.78 38.63 1h2o n ASN 78 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1h2o n TYR 79 N 0.49 -2.46 -4.28 -2.53 4.01 0.43 -4.07 117.16 108.75 1h2o n TYR 79 Ca 0.10 0.85 -0.19 0.00 -0.16 0.00 0.00 57.90 58.50 1h2o n TYR 79 Cb 0.38 -4.06 -0.11 0.00 -0.31 0.00 0.00 39.34 35.23 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 -3.36 2.26 -0.02 7.72 0.01 -0.64 0.52 113.70 120.20 1h2o s SER 80 Ca 0.42 -0.87 -0.01 0.00 1.31 0.00 0.00 55.95 56.80 1h2o s SER 80 Cb -0.06 -0.10 0.01 0.00 0.21 0.00 0.00 66.02 66.08 1h2o s SER 80 CO 0.75 -0.13 0.04 -0.47 0.41 0.00 0.00 173.24 173.84 1h2o s TYR 81 N -2.33 -0.02 -0.03 2.43 5.04 0.31 -0.38 117.35 122.37 1h2o s TYR 81 Ca 0.13 0.12 -0.01 0.00 -2.44 0.00 0.00 57.07 54.88 1h2o s TYR 81 Cb -0.04 -0.06 0.03 0.00 0.35 0.00 0.00 41.96 42.24 1h2o s TYR 81 CO 0.04 -0.05 0.04 -1.12 -1.34 0.00 0.00 175.55 173.12 1h2o s SER 82 N 0.39 0.60 0.23 4.32 0.01 0.11 0.17 113.70 119.52 1h2o s SER 82 Ca -0.03 0.04 -0.08 0.00 1.31 0.00 0.00 55.95 57.19 1h2o s SER 82 Cb -0.05 -0.13 -0.02 0.00 0.21 0.00 0.00 66.02 66.03 1h2o s SER 82 CO -0.01 -0.17 0.34 -0.72 0.41 0.00 0.00 173.24 173.08 1h2o s TYR 83 N 1.53 0.68 -0.08 2.43 1.13 -0.13 0.95 117.35 123.86 1h2o s TYR 83 Ca -0.03 -0.99 0.04 0.00 -1.41 0.00 0.00 57.07 54.68 1h2o s TYR 83 Cb -0.13 -0.11 -0.00 0.00 -1.10 0.00 0.00 41.96 40.62 1h2o s TYR 83 CO -0.03 -0.85 -0.22 0.99 -2.51 0.00 0.00 175.55 172.94 1h2o s THR 84 N -4.07 1.84 -0.24 -3.49 2.01 0.30 0.03 115.64 112.01 1h2o s THR 84 Ca 0.29 -0.91 -0.13 0.00 0.31 0.00 0.00 61.69 61.25 1h2o s THR 84 Cb 0.02 -1.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 1h2o s THR 84 CO 0.10 0.51 0.28 -0.22 -0.69 0.00 0.00 174.62 174.61 1h2o s LEU 85 N 0.22 4.09 -0.01 4.42 2.96 -0.11 0.14 118.68 130.38 1h2o s LEU 85 Ca -0.12 0.24 0.16 0.00 -0.22 0.00 0.00 54.13 54.19 1h2o s LEU 85 Cb -0.16 -2.30 -0.21 0.00 0.50 0.00 0.00 46.19 44.02 1h2o s LEU 85 CO 0.06 -0.06 0.51 2.30 -1.32 0.00 0.00 176.35 177.84 1h2o n ILE 86 N 4.65 0.00 -4.29 6.68 -5.35 -0.88 -1.36 119.36 118.82 1h2o n ILE 86 Ca -0.11 -0.25 -0.16 0.00 -0.27 0.00 0.00 62.75 61.96 1h2o n ILE 86 Cb 0.51 0.55 -0.10 0.00 -1.74 0.00 0.00 39.64 38.86 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 -2.82 1.19 0.00 6.28 2.12 -1.25 -4.90 118.70 119.32 1h2o s GLU 87 Ca -0.00 -1.55 0.00 0.00 0.36 0.00 0.00 54.97 53.77 1h2o s GLU 87 Cb 0.11 -0.65 0.00 0.00 0.26 0.00 0.00 34.13 33.86 1h2o s GLU 87 CO 0.66 0.01 0.00 0.41 -0.54 0.00 0.00 175.26 175.80 1h2o n GLY 88 N -0.30 2.73 0.35 -1.50 0.00 -1.26 -3.53 105.19 101.67 1h2o n GLY 88 Ca -0.08 0.05 0.16 0.00 0.00 0.00 0.00 46.02 46.15 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 1.35 1.61 3.32 -1.95 0.47 116.42 121.22 1h2o h ASP 89 Ca 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 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 -0.23 0.00 -1.72 0.00 0.00 179.24 177.29 1h2o h ALA 90 N 1.33 0.91 0.00 3.45 0.00 -1.95 -3.07 119.26 119.93 1h2o h ALA 90 Ca 0.04 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1h2o h ALA 90 Cb 0.78 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1h2o h ALA 90 CO -0.00 0.29 -0.23 -0.07 0.00 0.00 0.00 179.25 179.25 1h2o h LEU 91 N 0.00 0.00 0.00 0.00 3.38 -0.40 -3.48 115.31 114.81 1h2o h LEU 91 Ca -0.00 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.12 1h2o h LEU 91 Cb 0.97 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.68 1h2o h LEU 91 CO 0.03 0.23 -0.21 0.61 0.09 0.00 0.00 178.44 179.19 1h2o n GLY 92 N -0.51 -0.81 0.00 0.83 0.00 -1.16 -1.28 105.19 102.25 1h2o n GLY 92 Ca -0.02 -0.52 0.08 0.00 0.00 0.00 0.00 46.02 45.57 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 -4.27 0.00 -0.02 1.61 5.68 -1.26 -3.26 116.55 115.03 1h2o n ASP 93 Ca 0.00 -1.38 -0.12 0.00 -0.50 0.00 0.00 54.79 52.80 1h2o n ASP 93 Cb 0.26 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.10 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 -0.78 1.64 -4.15 2.12 -2.24 -1.21 -4.76 114.28 104.90 1h2o n THR 94 Ca 0.13 -0.76 -0.23 0.00 -2.27 0.00 0.00 64.05 60.91 1h2o n THR 94 Cb 0.06 -1.19 -0.06 0.00 -2.10 0.00 0.00 70.33 67.04 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 -6.30 3.33 0.00 3.22 1.43 -0.41 -2.71 118.68 117.24 1h2o s LEU 95 Ca -0.09 -0.65 0.00 0.00 -1.03 0.00 0.00 54.13 52.36 1h2o s LEU 95 Cb 0.08 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.46 1h2o s LEU 95 CO 0.81 -0.17 0.00 -0.62 0.23 0.00 0.00 176.35 176.60 1h2o n GLU 96 N -1.08 0.00 -2.70 1.70 -0.58 -0.31 -4.67 120.64 112.99 1h2o n GLU 96 Ca -0.05 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.27 1h2o n GLU 96 Cb 0.60 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.44 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 4.46 -0.02 3.49 1.02 -1.18 -4.66 119.74 122.86 1h2o s LYS 97 Ca 0.00 1.38 0.06 0.00 0.02 0.00 0.00 55.97 57.44 1h2o s LYS 97 Cb 0.00 -3.52 -0.02 0.00 -0.52 0.00 0.00 37.83 33.77 1h2o s LYS 97 CO 0.00 -0.23 -0.21 0.42 -0.92 0.00 0.00 175.35 174.41 1h2o s ILE 98 N 1.70 2.52 -0.11 2.17 -1.09 -0.46 -0.98 121.20 124.95 1h2o s ILE 98 Ca 0.49 -0.97 0.03 0.00 -2.23 0.00 0.00 60.65 57.97 1h2o s ILE 98 Cb -0.19 -1.94 -0.00 0.00 -1.58 0.00 0.00 42.46 38.75 1h2o s ILE 98 CO 0.21 0.56 -0.23 -0.44 -1.23 0.00 0.00 174.94 173.81 1h2o s SER 99 N -0.75 3.19 -0.04 3.58 0.01 -1.01 -0.93 113.70 117.74 1h2o s SER 99 Ca 0.11 -0.54 0.05 0.00 1.31 0.00 0.00 55.95 56.88 1h2o s SER 99 Cb -0.10 -1.43 -0.01 0.00 0.21 0.00 0.00 66.02 64.69 1h2o s SER 99 CO 0.00 0.15 -0.19 -0.31 0.41 0.00 0.00 173.24 173.30 1h2o s TYR 100 N 0.38 1.88 -0.03 2.43 2.02 0.10 0.09 117.35 124.23 1h2o s TYR 100 Ca -0.17 -0.54 0.00 0.00 -0.37 0.00 0.00 57.07 55.99 1h2o s TYR 100 Cb -0.18 -1.26 0.03 0.00 -0.40 0.00 0.00 41.96 40.16 1h2o s TYR 100 CO 0.08 -0.17 0.01 -1.21 -1.57 0.00 0.00 175.55 172.69 1h2o s GLU 101 N -0.04 0.18 0.04 -0.62 2.02 0.46 -0.96 118.70 119.79 1h2o s GLU 101 Ca -0.03 0.13 0.04 0.00 0.02 0.00 0.00 54.97 55.14 1h2o s GLU 101 Cb -0.12 -0.43 -0.02 0.00 0.10 0.00 0.00 34.13 33.66 1h2o s GLU 101 CO 0.02 -0.17 -0.13 0.99 0.02 0.00 0.00 175.26 176.00 1h2o s THR 102 N 1.16 0.99 0.00 3.63 2.01 0.46 0.21 115.64 124.09 1h2o s THR 102 Ca -0.08 -0.97 -0.01 0.00 0.31 0.00 0.00 61.69 60.94 1h2o s THR 102 Cb -0.13 -0.92 -0.01 0.00 0.01 0.00 0.00 72.50 71.45 1h2o s THR 102 CO -0.02 -0.05 0.01 -0.75 -0.69 0.00 0.00 174.62 173.12 1h2o s LYS 103 N -1.16 0.19 0.15 4.92 2.20 0.67 0.11 119.74 126.83 1h2o s LYS 103 Ca -0.00 -0.29 0.09 0.00 -0.36 0.00 0.00 55.97 55.41 1h2o s LYS 103 Cb -0.08 0.07 -0.04 0.00 -1.51 0.00 0.00 37.83 36.27 1h2o s LYS 103 CO 0.01 -0.03 -0.19 -0.51 -0.36 0.00 0.00 175.35 174.26 1h2o s LEU 104 N -0.75 2.40 0.00 5.43 1.43 0.18 0.12 118.68 127.49 1h2o s LEU 104 Ca -0.08 -0.82 0.00 0.00 -1.03 0.00 0.00 54.13 52.20 1h2o s LEU 104 Cb -0.05 -0.86 0.00 0.00 0.03 0.00 0.00 46.19 45.30 1h2o s LEU 104 CO -0.00 -0.00 0.00 0.52 0.23 0.00 0.00 176.35 177.10 1h2o n VAL 105 N 0.50 0.00 -4.43 -1.59 0.31 0.33 -4.56 118.33 108.88 1h2o n VAL 105 Ca -0.15 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 63.96 1h2o n VAL 105 Cb 0.56 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.39 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 2.47 0.41 3.52 0.00 -1.26 -1.31 121.76 124.17 1h2o s ALA 106 Ca 0.00 -1.82 0.07 0.00 0.00 0.00 0.00 51.96 50.21 1h2o s ALA 106 Cb 0.00 -0.15 -0.07 0.00 0.00 0.00 0.00 23.12 22.91 1h2o s ALA 106 CO 0.00 0.16 0.08 -1.54 0.00 0.00 0.00 175.76 174.47 1h2o s SER 107 N -3.44 4.12 0.37 0.00 1.04 -0.29 -4.42 113.70 111.07 1h2o s SER 107 Ca 0.27 -1.25 0.27 0.00 0.48 0.00 0.00 55.95 55.72 1h2o s SER 107 Cb -0.02 -0.41 1.01 0.00 0.10 0.00 0.00 66.02 66.70 1h2o s SER 107 CO 0.12 -0.50 1.80 1.55 0.98 0.00 0.00 173.24 177.19 1h2o h PRO 108 N 1.61 0.00 -0.54 4.02 0.13 -2.02 -2.75 132.00 132.45 1h2o h PRO 108 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1h2o h PRO 108 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1h2o h PRO 108 CO 0.76 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.96 1h2o n SER 109 N -2.63 2.99 0.00 1.44 7.64 -1.26 -4.91 113.62 116.89 1h2o n SER 109 Ca 0.02 -1.99 0.00 0.00 1.01 0.00 0.00 58.87 57.92 1h2o n SER 109 Cb 0.32 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 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 1.40 2.75 0.74 0.23 0.00 -1.04 -5.02 105.19 104.25 1h2o n GLY 110 Ca 0.19 -0.22 -0.06 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 -2.94 2.92 -0.02 0.00 -1.26 -4.54 105.19 99.35 1h2o n GLY 111 Ca 0.00 -0.96 -0.16 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.98 0.54 0.20 1.61 0.01 0.50 -1.14 113.70 113.43 1h2o s SER 112 Ca 0.13 -0.08 -0.12 0.00 1.31 0.00 0.00 55.95 57.19 1h2o s SER 112 Cb -0.02 -0.12 -0.07 0.00 0.21 0.00 0.00 66.02 66.02 1h2o s SER 112 CO 0.11 0.02 0.56 -0.63 0.41 0.00 0.00 173.24 173.70 1h2o s ILE 113 N 0.16 4.89 -0.16 1.44 1.01 -0.43 0.23 121.20 128.34 1h2o s ILE 113 Ca -0.01 0.65 -0.01 0.00 0.00 0.00 0.00 60.65 61.27 1h2o s ILE 113 Cb -0.05 -3.67 0.05 0.00 0.01 0.00 0.00 42.46 38.80 1h2o s ILE 113 CO -0.00 0.06 -0.02 -0.63 0.00 0.00 0.00 174.94 174.35 1h2o s ILE 114 N -1.67 0.85 -0.18 2.92 1.01 0.39 0.12 121.20 124.64 1h2o s ILE 114 Ca 0.43 -0.52 -0.08 0.00 0.00 0.00 0.00 60.65 60.49 1h2o s ILE 114 Cb -0.13 -1.12 -0.04 0.00 0.01 0.00 0.00 42.46 41.18 1h2o s ILE 114 CO 0.20 0.04 0.08 -0.75 0.00 0.00 0.00 174.94 174.51 1h2o s LYS 115 N 1.74 3.95 0.25 2.79 2.20 0.33 -1.61 119.74 129.38 1h2o s LYS 115 Ca 0.01 -0.31 0.10 0.00 -0.36 0.00 0.00 55.97 55.41 1h2o s LYS 115 Cb -0.15 -3.24 -0.05 0.00 -1.51 0.00 0.00 37.83 32.88 1h2o s LYS 115 CO -0.07 0.32 -0.17 0.45 -0.36 0.00 0.00 175.35 175.52 1h2o s SER 116 N 0.24 3.12 -0.24 1.43 0.15 0.87 0.24 113.70 119.51 1h2o s SER 116 Ca 0.05 -1.03 -0.12 0.00 0.70 0.00 0.00 55.95 55.55 1h2o s SER 116 Cb -0.12 -0.22 0.08 0.00 -1.71 0.00 0.00 66.02 64.05 1h2o s SER 116 CO -0.00 -0.06 0.56 -0.89 1.20 0.00 0.00 173.24 174.05 1h2o s THR 117 N -2.73 -0.26 0.10 6.45 2.01 0.55 -1.23 115.64 120.53 1h2o s THR 117 Ca 0.27 0.05 0.05 0.00 0.31 0.00 0.00 61.69 62.37 1h2o s THR 117 Cb -0.03 -0.84 -0.03 0.00 0.01 0.00 0.00 72.50 71.61 1h2o s THR 117 CO 0.11 0.02 -0.14 -0.94 -0.69 0.00 0.00 174.62 172.99 1h2o s SER 118 N 1.91 1.79 0.10 3.53 1.04 0.29 0.18 113.70 122.53 1h2o s SER 118 Ca -0.08 -0.72 0.02 0.00 0.48 0.00 0.00 55.95 55.65 1h2o s SER 118 Cb -0.08 -0.05 -0.04 0.00 0.10 0.00 0.00 66.02 65.95 1h2o s SER 118 CO -0.17 -0.13 -0.08 -1.00 0.98 0.00 0.00 173.24 172.85 1h2o s HIS 119 N -1.78 0.93 -0.03 5.02 3.76 0.11 -0.61 115.29 122.70 1h2o s HIS 119 Ca 0.03 -0.81 0.03 0.00 -0.15 0.00 0.00 55.06 54.17 1h2o s HIS 119 Cb -0.07 -0.53 0.00 0.00 1.11 0.00 0.00 32.58 33.09 1h2o s HIS 119 CO 0.02 -0.09 -0.12 0.71 -0.85 0.00 0.00 174.74 174.41 1h2o s TYR 120 N -3.15 1.27 -0.45 1.40 2.02 -1.01 -2.41 117.35 115.03 1h2o s TYR 120 Ca 0.09 -0.35 0.01 0.00 -0.37 0.00 0.00 57.07 56.46 1h2o s TYR 120 Cb 0.02 -0.88 0.12 0.00 -0.40 0.00 0.00 41.96 40.82 1h2o s TYR 120 CO -0.03 -0.13 0.20 -1.01 -1.57 0.00 0.00 175.55 173.01 1h2o s HIS 121 N 0.15 3.52 0.62 2.71 3.76 -0.15 -1.33 115.29 124.57 1h2o s HIS 121 Ca -0.04 -2.87 -0.12 0.00 -0.15 0.00 0.00 55.06 51.88 1h2o s HIS 121 Cb -0.10 -3.01 -0.03 0.00 1.11 0.00 0.00 32.58 30.55 1h2o s HIS 121 CO 0.01 -0.88 1.03 0.95 -0.85 0.00 0.00 174.74 175.00 1h2o s THR 122 N 0.49 4.38 -0.43 1.30 -4.23 -1.21 -1.17 115.64 114.77 1h2o s THR 122 Ca 0.13 0.87 -0.03 0.00 -1.18 0.00 0.00 61.69 61.48 1h2o s THR 122 Cb -0.22 -3.65 0.11 0.00 1.34 0.00 0.00 72.50 70.09 1h2o s THR 122 CO -0.04 -0.92 0.22 -0.75 -0.54 0.00 0.00 174.62 172.59 1h2o s LYS 123 N -4.84 2.04 0.00 3.99 2.20 -1.10 -4.84 119.74 117.19 1h2o s LYS 123 Ca 0.57 -1.88 0.00 0.00 -0.36 0.00 0.00 55.97 54.31 1h2o s LYS 123 Cb -0.12 -3.59 0.00 0.00 -1.51 0.00 0.00 37.83 32.60 1h2o s LYS 123 CO 0.49 -1.08 0.00 0.41 -0.36 0.00 0.00 175.35 174.81 1h2o n GLY 124 N 4.50 0.13 2.41 5.54 0.00 -1.26 -4.83 105.19 111.68 1h2o n GLY 124 Ca -0.01 -1.46 -0.26 0.00 0.00 0.00 0.00 46.02 44.28 1h2o n GLY 124 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1h2o n ASN 125 N 0.00 2.62 -4.07 1.61 5.15 -1.26 -5.07 115.26 114.23 1h2o n ASN 125 Ca 0.00 -3.19 -0.09 0.00 -0.60 0.00 0.00 54.58 50.70 1h2o n ASN 125 Cb 0.00 -0.67 -0.10 0.00 -0.53 0.00 0.00 39.78 38.48 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 -1.96 0.33 0.43 3.44 -7.23 -1.26 -5.17 120.40 108.98 1h2o s VAL 126 Ca 0.37 -1.49 0.04 0.00 -1.81 0.00 0.00 61.98 59.08 1h2o s VAL 126 Cb 0.13 -1.09 -0.04 0.00 0.56 0.00 0.00 36.38 35.94 1h2o s VAL 126 CO -0.06 -0.75 0.04 -1.61 -0.31 0.00 0.00 175.10 172.41 1h2o s GLU 127 N -2.92 1.97 0.91 4.82 2.02 -1.26 -4.81 118.70 119.43 1h2o s GLU 127 Ca -0.01 -2.18 -0.13 0.00 0.02 0.00 0.00 54.97 52.67 1h2o s GLU 127 Cb 0.00 -1.25 0.14 0.00 0.10 0.00 0.00 34.13 33.12 1h2o s GLU 127 CO -0.05 -0.26 1.18 0.42 0.02 0.00 0.00 175.26 176.56 1h2o s ILE 128 N -2.98 1.97 -0.19 -1.63 -1.09 -1.26 -5.03 121.20 110.99 1h2o s ILE 128 Ca 0.23 0.00 -0.11 0.00 -2.23 0.00 0.00 60.65 58.55 1h2o s ILE 128 Cb 0.06 -2.85 -0.05 0.00 -1.58 0.00 0.00 42.46 38.04 1h2o s ILE 128 CO 0.12 0.00 0.17 -0.54 -1.23 0.00 0.00 174.94 173.45 1h2o s LYS 129 N -5.47 4.20 0.31 2.79 1.02 -1.26 -4.97 119.74 116.36 1h2o s LYS 129 Ca 0.65 -0.15 0.06 0.00 0.02 0.00 0.00 55.97 56.55 1h2o s LYS 129 Cb -0.12 -3.42 0.84 0.00 -0.52 0.00 0.00 37.83 34.61 1h2o s LYS 129 CO 0.52 0.28 1.63 0.93 -0.92 0.00 0.00 175.35 177.79 1h2o h GLU 130 N 6.69 0.17 -0.06 1.68 5.08 -1.98 2.10 114.58 128.27 1h2o h GLU 130 Ca -0.41 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 57.96 1h2o h GLU 130 Cb 1.15 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 1h2o h GLU 130 CO 0.76 0.11 0.08 1.49 -1.00 0.00 0.00 179.01 180.45 1h2o h GLU 131 N 0.18 0.00 0.00 2.33 4.81 -1.95 0.33 114.58 120.28 1h2o h GLU 131 Ca 0.62 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.80 1h2o h GLU 131 Cb 1.34 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.71 1h2o h GLU 131 CO -0.70 0.00 -0.49 1.25 -0.73 0.00 0.00 179.01 178.34 1h2o h HIS 132 N 0.00 0.00 0.00 0.92 2.76 0.30 0.20 115.15 119.34 1h2o h HIS 132 Ca 0.03 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.19 1h2o h HIS 132 Cb 0.19 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.15 1h2o h HIS 132 CO 0.00 0.39 -0.04 -0.24 -1.30 0.00 0.00 177.93 176.75 1h2o h VAL 133 N -1.00 0.26 0.00 5.26 3.04 -1.12 -1.35 116.25 121.33 1h2o h VAL 133 Ca -0.07 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 65.38 1h2o h VAL 133 Cb 0.59 1.18 0.00 0.00 -2.01 0.00 0.00 31.29 31.05 1h2o h VAL 133 CO -0.04 0.03 0.00 0.29 -1.01 0.00 0.00 177.57 176.84 1h2o n LYS 134 N -3.38 0.00 0.32 4.17 5.02 0.11 -4.42 118.16 119.98 1h2o n LYS 134 Ca -0.02 0.00 0.16 0.00 -2.02 0.00 0.00 58.31 56.43 1h2o n LYS 134 Cb 0.16 -0.13 0.82 0.00 -0.02 0.00 0.00 35.03 35.86 1h2o n LYS 134 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1h2o h ALA 135 N -0.80 1.40 0.00 7.82 0.00 -1.18 0.57 119.26 127.07 1h2o h ALA 135 Ca 0.00 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1h2o h ALA 135 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1h2o h ALA 135 CO 0.00 -0.35 -0.60 0.78 0.00 0.00 0.00 179.25 179.08 1h2o h GLY 136 N 0.00 0.00 1.99 0.00 0.00 0.54 -2.87 103.07 102.73 1h2o h GLY 136 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.30 1h2o h GLY 136 CO -0.00 0.00 -0.21 0.50 0.00 0.00 0.00 176.54 176.83 1h2o h LYS 137 N 0.00 0.01 0.00 4.80 1.57 0.05 -2.05 116.57 120.96 1h2o h LYS 137 Ca -0.01 -0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.62 1h2o h LYS 137 Cb 1.09 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.38 1h2o h LYS 137 CO 0.08 0.22 -0.72 1.49 -0.57 0.00 0.00 179.45 179.94 1h2o h GLU 138 N 0.01 0.00 -0.06 3.15 4.81 -1.56 -2.10 114.58 118.83 1h2o h GLU 138 Ca 0.00 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.04 1h2o h GLU 138 Cb 0.37 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 1h2o h GLU 138 CO 0.03 0.72 -0.76 0.87 -0.73 0.00 0.00 179.01 179.14 1h2o h LYS 139 N 0.00 0.38 0.12 1.92 1.79 -1.33 -2.70 116.57 116.74 1h2o h LYS 139 Ca -0.01 -0.33 -0.27 0.00 -2.18 0.00 0.00 60.65 57.86 1h2o h LYS 139 Cb 1.43 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 32.15 1h2o h LYS 139 CO 0.09 0.97 -1.27 0.00 -1.08 0.00 0.00 179.45 178.17 1h2o h ALA 140 N 0.93 0.14 -0.37 3.86 0.00 -1.46 -3.27 119.26 119.09 1h2o h ALA 140 Ca -0.04 -0.92 -0.03 0.00 0.00 0.00 0.00 54.91 53.93 1h2o h ALA 140 Cb 1.34 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 1h2o h ALA 140 CO 0.13 1.02 0.12 0.77 0.00 0.00 0.00 179.25 181.29 1h2o h SER 141 N 0.07 0.53 -0.80 0.00 0.02 -1.40 -2.62 113.55 109.36 1h2o h SER 141 Ca -0.14 -0.20 0.10 0.00 -0.84 0.00 0.00 61.79 60.71 1h2o h SER 141 Cb 1.97 -0.14 -0.07 0.00 0.14 0.00 0.00 62.40 64.29 1h2o h SER 141 CO 0.19 0.59 0.44 0.78 -1.14 0.00 0.00 176.83 177.70 1h2o h ASN 142 N 0.45 0.62 -0.38 3.07 2.35 -1.58 -1.43 115.58 118.69 1h2o h ASN 142 Ca 0.12 0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1h2o h ASN 142 Cb 0.24 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 1h2o h ASN 142 CO -0.01 0.35 0.24 -0.07 -1.65 0.00 0.00 177.43 176.29 1h2o h LEU 143 N 0.74 0.45 -1.28 1.61 3.38 -1.54 -2.06 115.31 116.61 1h2o h LEU 143 Ca 0.39 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.34 1h2o h LEU 143 Cb 0.38 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1h2o h LEU 143 CO -0.26 0.36 0.50 -0.26 0.09 0.00 0.00 178.44 178.87 1h2o h PHE 144 N 0.50 0.92 0.00 1.13 0.04 -0.96 0.90 116.94 119.47 1h2o h PHE 144 Ca 0.14 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.93 1h2o h PHE 144 Cb -0.02 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 37.82 1h2o h PHE 144 CO -0.04 0.55 0.00 1.63 -0.60 0.00 0.00 178.31 179.85 1h2o n LYS 145 N -4.44 0.13 0.07 1.51 5.02 -0.63 -2.59 118.16 117.23 1h2o n LYS 145 Ca 0.09 0.31 -0.17 0.00 -2.02 0.00 0.00 58.31 56.53 1h2o n LYS 145 Cb 0.08 -1.73 -0.14 0.00 -0.02 0.00 0.00 35.03 33.22 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 0.39 -0.17 -0.35 3.38 -0.19 -3.23 115.31 115.13 1h2o h LEU 146 Ca 0.00 -0.52 -0.06 0.00 0.09 0.00 0.00 57.88 57.39 1h2o h LEU 146 Cb 0.39 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1h2o h LEU 146 CO 0.00 1.43 -0.11 0.40 0.09 0.00 0.00 178.44 180.25 1h2o h ILE 147 N 0.07 1.32 -0.98 1.22 2.04 -1.22 -2.60 117.51 117.36 1h2o h ILE 147 Ca -0.23 -1.20 0.24 0.00 1.00 0.00 0.00 64.86 64.67 1h2o h ILE 147 Cb 2.01 1.75 -0.08 0.00 -0.74 0.00 0.00 36.82 39.76 1h2o h ILE 147 CO 0.17 0.36 0.65 -0.33 0.00 0.00 0.00 178.15 178.99 1h2o h GLU 148 N 0.04 0.37 0.00 2.37 5.08 -1.61 1.31 114.58 122.13 1h2o h GLU 148 Ca 0.03 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1h2o h GLU 148 Cb 0.61 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1h2o h GLU 148 CO 0.03 0.24 -0.04 1.15 -1.00 0.00 0.00 179.01 179.40 1h2o h THR 149 N 0.38 0.07 -0.04 1.13 2.02 -1.50 -1.32 112.91 113.65 1h2o h THR 149 Ca 0.53 -0.86 -0.02 0.00 0.77 0.00 0.00 66.41 66.84 1h2o h THR 149 Cb 1.38 1.80 -0.00 0.00 -1.74 0.00 0.00 68.15 69.59 1h2o h THR 149 CO -0.22 0.04 -0.04 0.22 0.37 0.00 0.00 175.52 175.89 1h2o h TYR 150 N 0.00 0.12 0.04 3.16 3.20 0.21 -2.82 116.97 120.88 1h2o h TYR 150 Ca -0.00 -0.03 -0.23 0.00 3.14 0.00 0.00 58.73 61.60 1h2o h TYR 150 Cb 0.80 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.02 1h2o h TYR 150 CO 0.00 0.55 -1.08 -0.07 -1.64 0.00 0.00 178.16 175.92 1h2o h LEU 151 N -0.34 0.13 -0.96 2.82 3.38 -1.48 0.40 115.31 119.27 1h2o h LEU 151 Ca 0.01 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1h2o h LEU 151 Cb 0.53 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1h2o h LEU 151 CO 0.01 1.11 0.00 1.17 0.09 0.00 0.00 178.44 180.82 1h2o n LYS 152 N -3.41 0.15 -0.01 1.13 4.81 -0.50 -2.80 118.16 117.54 1h2o n LYS 152 Ca -0.03 0.52 -0.01 0.00 -0.87 0.00 0.00 58.31 57.92 1h2o n LYS 152 Cb 0.97 -1.87 -0.01 0.00 0.02 0.00 0.00 35.03 34.13 1h2o n LYS 152 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1h2o n GLY 153 N -0.69 -0.08 3.22 3.14 0.00 -1.06 -4.89 105.19 104.82 1h2o n GLY 153 Ca 0.00 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.04 3.51 -2.00 1.61 3.76 0.14 -4.89 115.29 115.38 1h2o s HIS 154 Ca -0.01 -2.12 0.12 0.00 -0.15 0.00 0.00 55.06 52.90 1h2o s HIS 154 Cb 0.01 -3.52 0.72 0.00 1.11 0.00 0.00 32.58 30.89 1h2o s HIS 154 CO 0.07 -0.95 1.24 -0.35 -0.85 0.00 0.00 174.74 173.90 1h2o n PRO 155 N 4.25 0.70 0.00 8.40 -0.04 -1.26 -2.48 135.00 144.57 1h2o n PRO 155 Ca 0.03 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.52 1h2o n PRO 155 Cb 0.42 -1.27 -0.03 0.00 -0.04 0.00 0.00 33.50 32.57 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 -0.77 0.49 -4.51 3.54 8.00 -1.26 -4.66 116.55 117.38 1h2o n ASP 156 Ca 0.09 -0.75 -0.42 0.00 0.71 0.00 0.00 54.79 54.42 1h2o n ASP 156 Cb 0.04 0.88 -0.06 0.00 -0.02 0.00 0.00 41.12 41.96 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 -0.97 0.93 -2.21 2.24 0.00 -1.04 -2.53 120.51 116.93 1h2o n ALA 157 Ca 0.02 -0.46 -0.03 0.00 0.00 0.00 0.00 53.44 52.97 1h2o n ALA 157 Cb 0.12 -2.80 -0.01 0.00 0.00 0.00 0.00 19.45 16.76 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 12.55 -1.47 -0.77 0.00 0.18 -1.26 -4.98 117.16 121.40 1h2o n TYR 158 Ca 0.43 0.05 0.00 0.00 1.88 0.00 0.00 57.90 60.26 1h2o n TYR 158 Cb 0.34 -0.83 0.00 0.00 -0.38 0.00 0.00 39.34 38.47 1h2o n TYR 158 CO 0.00 0.00 0.00 -1.71 -2.08 0.00 0.00 176.86 173.07