#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h2o s VAL 2 N 0.00 4.75 0.57 1.61 0.11 -1.26 -4.02 120.40 122.16 1h2o s VAL 2 Ca 0.00 0.72 -0.02 0.00 -2.93 0.00 0.00 61.98 59.75 1h2o s VAL 2 Cb 0.00 -3.70 0.02 0.00 -1.53 0.00 0.00 36.38 31.17 1h2o s VAL 2 CO 0.00 -0.45 0.83 -0.36 -3.33 0.00 0.00 175.10 171.79 1h2o s PHE 3 N -2.30 3.06 -0.27 1.54 0.40 0.12 -4.81 117.98 115.71 1h2o s PHE 3 Ca 0.52 0.30 -0.02 0.00 -0.60 0.00 0.00 56.93 57.14 1h2o s PHE 3 Cb -0.10 -2.73 0.12 0.00 0.51 0.00 0.00 43.02 40.81 1h2o s PHE 3 CO 0.28 -0.85 0.25 0.99 0.70 0.00 0.00 175.22 176.60 1h2o s THR 4 N -2.87 -0.34 0.14 0.64 2.01 -1.26 -2.45 115.64 111.52 1h2o s THR 4 Ca 0.55 -0.45 0.09 0.00 0.31 0.00 0.00 61.69 62.19 1h2o s THR 4 Cb -0.10 -0.92 -0.04 0.00 0.01 0.00 0.00 72.50 71.45 1h2o s THR 4 CO 0.41 -0.45 -0.16 -0.31 -0.69 0.00 0.00 174.62 173.42 1h2o s TYR 5 N 2.32 2.54 0.02 4.92 2.02 0.25 -4.97 117.35 124.44 1h2o s TYR 5 Ca 0.09 -0.26 -0.05 0.00 -0.37 0.00 0.00 57.07 56.48 1h2o s TYR 5 Cb -0.15 -1.31 -0.01 0.00 -0.40 0.00 0.00 41.96 40.10 1h2o s TYR 5 CO -0.29 0.44 0.07 -1.83 -1.57 0.00 0.00 175.55 172.37 1h2o s GLU 6 N -2.40 0.47 0.10 -0.62 -1.05 -1.26 -0.17 118.70 113.76 1h2o s GLU 6 Ca 0.20 -0.58 0.06 0.00 -0.15 0.00 0.00 54.97 54.50 1h2o s GLU 6 Cb -0.10 0.18 -0.03 0.00 -0.44 0.00 0.00 34.13 33.74 1h2o s GLU 6 CO 0.12 -0.11 -0.16 0.45 0.95 0.00 0.00 175.26 176.51 1h2o s SER 7 N -1.66 2.04 -0.13 0.83 0.15 0.29 -4.96 113.70 110.27 1h2o s SER 7 Ca -0.12 -0.71 -0.02 0.00 0.70 0.00 0.00 55.95 55.81 1h2o s SER 7 Cb -0.06 -0.08 0.04 0.00 -1.71 0.00 0.00 66.02 64.21 1h2o s SER 7 CO -0.01 -0.06 0.00 -1.61 1.20 0.00 0.00 173.24 172.76 1h2o s GLU 8 N -2.14 0.75 0.18 5.44 2.02 -1.26 -0.94 118.70 122.75 1h2o s GLU 8 Ca 0.04 -0.15 0.03 0.00 0.02 0.00 0.00 54.97 54.91 1h2o s GLU 8 Cb -0.08 -1.51 -0.01 0.00 0.10 0.00 0.00 34.13 32.63 1h2o s GLU 8 CO 0.03 -0.43 0.18 1.97 0.02 0.00 0.00 175.26 177.03 1h2o n PHE 9 N 5.08 -0.59 -4.28 1.61 -1.74 -0.34 -4.98 117.46 112.22 1h2o n PHE 9 Ca -0.08 -1.41 -0.16 0.00 -0.56 0.00 0.00 57.45 55.24 1h2o n PHE 9 Cb 0.49 0.20 -0.09 0.00 1.52 0.00 0.00 39.48 41.59 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 -2.69 0.19 -0.08 1.97 -4.23 -1.26 0.16 115.64 109.69 1h2o s THR 10 Ca 0.19 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.57 1h2o s THR 10 Cb 0.01 -2.52 0.03 0.00 1.34 0.00 0.00 72.50 71.36 1h2o s THR 10 CO 0.14 0.00 0.33 -0.94 -0.54 0.00 0.00 174.62 173.61 1h2o s SER 11 N -3.30 -0.29 0.23 3.99 1.04 0.48 -4.86 113.70 111.00 1h2o s SER 11 Ca 0.38 0.44 0.05 0.00 0.48 0.00 0.00 55.95 57.29 1h2o s SER 11 Cb 0.05 0.54 0.23 0.00 0.10 0.00 0.00 66.02 66.94 1h2o s SER 11 CO 0.17 -0.26 1.54 -0.33 0.98 0.00 0.00 173.24 175.34 1h2o h GLU 12 N 4.87 0.20 -7.11 4.02 5.08 -1.93 1.45 114.58 121.15 1h2o h GLU 12 Ca -0.28 -0.15 -0.49 0.00 -1.00 0.00 0.00 59.36 57.45 1h2o h GLU 12 Cb 1.18 0.03 0.06 0.00 0.50 0.00 0.00 28.75 30.51 1h2o h GLU 12 CO 0.34 0.77 0.40 0.42 -1.00 0.00 0.00 179.01 179.94 1h2o s ILE 13 N -3.66 3.52 0.36 3.13 -1.09 -1.26 -4.55 121.20 117.65 1h2o s ILE 13 Ca -0.03 0.88 -0.28 0.00 -2.23 0.00 0.00 60.65 58.99 1h2o s ILE 13 Cb 0.12 -3.35 -0.10 0.00 -1.58 0.00 0.00 42.46 37.55 1h2o s ILE 13 CO 0.80 -0.27 1.36 -2.16 -1.23 0.00 0.00 174.94 173.44 1h2o s PRO 14 N -3.49 4.19 0.25 2.79 0.04 -1.26 -4.31 135.00 133.21 1h2o s PRO 14 Ca 0.68 2.32 0.09 0.00 0.04 0.00 0.00 61.00 64.13 1h2o s PRO 14 Cb -0.19 -2.97 0.28 0.00 0.04 0.00 0.00 34.50 31.66 1h2o s PRO 14 CO 0.27 -0.37 1.57 -1.00 0.04 0.00 0.00 177.00 177.52 1h2o h PRO 15 N 3.10 0.04 0.00 0.56 0.13 -1.92 -2.81 132.00 131.10 1h2o h PRO 15 Ca -0.50 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.57 1h2o h PRO 15 Cb 1.23 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1h2o h PRO 15 CO 0.64 0.68 -0.18 -1.00 -0.23 0.00 0.00 178.00 177.92 1h2o h PRO 16 N 0.03 0.00 0.07 1.56 0.13 -1.95 0.34 132.00 132.18 1h2o h PRO 16 Ca -0.01 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.96 1h2o h PRO 16 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1h2o h PRO 16 CO 0.09 0.18 -0.83 0.00 -0.23 0.00 0.00 178.00 177.21 1h2o h ARG 17 N 0.00 0.15 -0.07 0.86 2.47 -1.92 -2.82 114.38 113.05 1h2o h ARG 17 Ca -0.00 -0.25 -0.06 0.00 -1.26 0.00 0.00 59.98 58.41 1h2o h ARG 17 Cb 0.63 0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 29.03 1h2o h ARG 17 CO 0.02 1.12 -0.24 1.25 0.56 0.00 0.00 179.97 182.68 1h2o h LEU 18 N -0.64 0.11 0.35 3.04 6.46 -1.39 -2.75 115.31 120.49 1h2o h LEU 18 Ca -0.18 -0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.53 1h2o h LEU 18 Cb 1.43 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 41.34 1h2o h LEU 18 CO 0.02 0.36 -0.17 0.15 -0.62 0.00 0.00 178.44 178.18 1h2o h PHE 19 N 0.11 -0.44 -0.89 1.25 3.57 -0.39 0.21 116.94 120.36 1h2o h PHE 19 Ca 0.02 -0.01 0.22 0.00 3.53 0.00 0.00 57.97 61.73 1h2o h PHE 19 Cb 0.49 0.14 -0.12 0.00 2.79 0.00 0.00 35.95 39.25 1h2o h PHE 19 CO 0.00 -0.14 0.38 0.87 -2.23 0.00 0.00 178.31 177.19 1h2o h LYS 20 N -0.70 0.38 -0.10 1.11 1.57 -1.30 0.47 116.57 118.00 1h2o h LYS 20 Ca -0.05 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.53 1h2o h LYS 20 Cb 0.49 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 1h2o h LYS 20 CO 0.08 0.25 -0.70 0.00 -0.57 0.00 0.00 179.45 178.51 1h2o h ALA 21 N 1.71 0.59 -0.06 3.86 0.00 -1.22 2.17 119.26 126.31 1h2o h ALA 21 Ca 0.55 -0.59 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 1h2o h ALA 21 Cb 1.05 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.79 1h2o h ALA 21 CO -0.53 0.74 -0.65 0.35 0.00 0.00 0.00 179.25 179.17 1h2o h PHE 22 N 0.32 0.77 0.00 0.00 3.57 0.26 0.31 116.94 122.17 1h2o h PHE 22 Ca -0.03 -0.37 -0.28 0.00 3.53 0.00 0.00 57.97 60.82 1h2o h PHE 22 Cb 1.28 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.87 1h2o h PHE 22 CO 0.05 1.18 -1.93 0.28 -2.23 0.00 0.00 178.31 175.66 1h2o n VAL 23 N -4.14 0.97 1.40 1.41 0.31 0.13 -3.64 118.33 114.78 1h2o n VAL 23 Ca -0.09 -0.23 0.14 0.00 -0.01 0.00 0.00 64.34 64.16 1h2o n VAL 23 Cb 0.68 -1.75 0.74 0.00 -0.91 0.00 0.00 33.84 32.61 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 -3.79 0.00 -1.28 7.52 4.32 0.42 -3.95 117.00 120.24 1h2o n LEU 24 Ca -0.33 0.28 -0.02 0.00 -0.02 0.00 0.00 56.01 55.92 1h2o n LEU 24 Cb 0.73 -0.28 -0.03 0.00 -1.62 0.00 0.00 43.42 42.22 1h2o n LEU 24 CO 0.02 -0.01 0.23 0.47 -1.22 0.00 0.00 177.39 176.88 1h2o n ASP 25 N -1.28 -0.12 0.25 -1.43 8.00 0.71 -4.85 116.55 117.82 1h2o n ASP 25 Ca 0.14 -2.00 0.14 0.00 0.71 0.00 0.00 54.79 53.77 1h2o n ASP 25 Cb 0.23 0.04 0.50 0.00 -0.02 0.00 0.00 41.12 41.87 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 0.49 0.99 0.00 2.24 0.00 -0.44 -1.68 119.26 120.86 1h2o h ALA 26 Ca -0.42 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 1h2o h ALA 26 Cb 1.61 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 1h2o h ALA 26 CO -0.12 0.10 -0.14 0.22 0.00 0.00 0.00 179.25 179.32 1h2o h ASP 27 N 0.00 0.00 0.00 0.00 1.82 -1.88 -2.97 116.42 113.39 1h2o h ASP 27 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1h2o h ASP 27 Cb 0.70 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.71 1h2o h ASP 27 CO 0.01 0.14 -0.03 -0.46 -1.61 0.00 0.00 179.24 177.29 1h2o n ASN 28 N -3.52 1.62 -0.11 2.28 0.23 -1.11 -4.47 115.26 110.18 1h2o n ASN 28 Ca -0.01 -2.07 -0.24 0.00 -0.53 0.00 0.00 54.58 51.72 1h2o n ASN 28 Cb 0.28 -0.11 -0.11 0.00 -2.08 0.00 0.00 39.78 37.77 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 -0.59 2.04 0.12 -4.53 -0.00 -0.65 -4.18 117.00 109.20 1h2o n LEU 29 Ca 0.03 0.34 -0.02 0.00 -0.00 0.00 0.00 56.01 56.37 1h2o n LEU 29 Cb 0.40 -0.93 0.05 0.00 -0.00 0.00 0.00 43.42 42.95 1h2o n LEU 29 CO 0.00 0.48 0.38 1.62 -0.00 0.00 0.00 177.39 179.87 1h2o h VAL 30 N -0.84 1.35 0.00 1.96 3.04 -1.84 -1.06 116.25 118.87 1h2o h VAL 30 Ca -0.50 -2.56 0.00 0.00 -1.01 0.00 0.00 66.70 62.63 1h2o h VAL 30 Cb 1.52 2.45 0.00 0.00 -2.01 0.00 0.00 31.29 33.25 1h2o h VAL 30 CO -0.25 0.69 0.00 -0.81 -1.01 0.00 0.00 177.57 176.19 1h2o n PRO 31 N -3.46 0.96 0.00 4.17 -0.04 -1.26 -1.87 135.00 133.50 1h2o n PRO 31 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1h2o n PRO 31 Cb 0.75 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.98 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 -0.73 0.59 0.13 0.54 5.02 -1.17 -4.40 118.16 118.13 1h2o n LYS 32 Ca 0.11 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.41 1h2o n LYS 32 Cb 0.05 -0.78 0.00 0.00 -0.02 0.00 0.00 35.03 34.28 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 1.01 -0.94 -0.18 2.04 -1.27 -3.40 117.51 114.76 1h2o h ILE 33 Ca 0.00 -2.43 -0.23 0.00 1.00 0.00 0.00 64.86 63.20 1h2o h ILE 33 Cb 0.56 2.50 -0.19 0.00 -0.74 0.00 0.00 36.82 38.95 1h2o h ILE 33 CO 0.00 0.58 -0.56 0.00 0.00 0.00 0.00 178.15 178.16 1h2o n ALA 34 N -2.25 -1.14 0.75 1.87 0.00 -0.78 -4.97 120.51 113.98 1h2o n ALA 34 Ca 0.02 -1.41 0.08 0.00 0.00 0.00 0.00 53.44 52.13 1h2o n ALA 34 Cb 0.77 -1.36 0.40 0.00 0.00 0.00 0.00 19.45 19.26 1h2o n ALA 34 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1h2o n PRO 35 N 2.57 0.23 0.08 0.00 -0.04 -1.22 -2.10 135.00 134.53 1h2o n PRO 35 Ca 0.17 0.13 0.12 0.00 -0.04 0.00 0.00 63.50 63.89 1h2o n PRO 35 Cb 0.57 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.69 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 -1.93 -3.41 115.11 113.38 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 0.14 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.70 1h2o h GLN 36 CO 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 178.83 178.87 1h2o n ALA 37 N -1.88 0.04 -2.69 0.06 0.00 -0.89 -3.91 120.51 111.24 1h2o n ALA 37 Ca 0.03 -0.20 -0.36 0.00 0.00 0.00 0.00 53.44 52.91 1h2o n ALA 37 Cb 0.46 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.82 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 -1.11 5.38 -0.00 0.00 1.09 -1.23 -3.02 121.20 122.30 1h2o s ILE 38 Ca -0.01 0.20 0.17 0.00 -1.10 0.00 0.00 60.65 59.90 1h2o s ILE 38 Cb 0.00 -3.49 0.10 0.00 -1.06 0.00 0.00 42.46 38.01 1h2o s ILE 38 CO 0.02 0.38 1.58 0.50 -0.10 0.00 0.00 174.94 177.33 1h2o h LYS 39 N 7.19 0.00 0.00 2.79 3.64 0.25 -3.42 116.57 127.02 1h2o h LYS 39 Ca -0.39 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 1h2o h LYS 39 Cb 1.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1h2o h LYS 39 CO 0.70 0.44 0.00 1.58 -2.27 0.00 0.00 179.45 179.90 1h2o n HIS 40 N -3.35 0.00 -3.92 1.91 -0.00 -1.20 -4.90 115.22 103.76 1h2o n HIS 40 Ca 0.01 0.00 -0.18 0.00 -0.00 0.00 0.00 57.72 57.55 1h2o n HIS 40 Cb 0.63 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 30.45 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 0.57 -0.17 0.26 0.01 -1.26 0.54 113.70 113.65 1h2o s SER 41 Ca 0.00 -0.03 -0.03 0.00 1.31 0.00 0.00 55.95 57.20 1h2o s SER 41 Cb 0.00 -0.25 0.06 0.00 0.21 0.00 0.00 66.02 66.04 1h2o s SER 41 CO 0.00 -0.11 0.04 -0.70 0.41 0.00 0.00 173.24 172.88 1h2o s GLU 42 N 1.14 0.56 0.38 12.44 2.12 -1.13 -4.91 118.70 129.30 1h2o s GLU 42 Ca -0.08 -0.29 -0.28 0.00 0.36 0.00 0.00 54.97 54.68 1h2o s GLU 42 Cb -0.13 -1.90 -0.11 0.00 0.26 0.00 0.00 34.13 32.25 1h2o s GLU 42 CO -0.02 -0.59 1.47 -0.89 -0.54 0.00 0.00 175.26 174.69 1h2o n ILE 43 N 5.10 2.07 -0.02 -3.70 5.41 -1.26 -1.72 119.36 125.25 1h2o n ILE 43 Ca -0.08 -0.50 -0.01 0.00 1.00 0.00 0.00 62.75 63.15 1h2o n ILE 43 Cb 0.48 -1.94 -0.04 0.00 -0.71 0.00 0.00 39.64 37.43 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 0.41 0.00 -4.38 1.39 4.77 0.66 -4.86 117.00 114.98 1h2o n LEU 44 Ca 0.02 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.78 1h2o n LEU 44 Cb 0.39 0.09 -0.11 0.00 -2.33 0.00 0.00 43.42 41.46 1h2o n LEU 44 CO 0.63 0.09 -0.47 0.26 -1.33 0.00 0.00 177.39 176.57 1h2o s TRP 45 N -2.15 1.97 0.00 -1.77 0.52 -0.86 -4.83 118.94 111.81 1h2o s TRP 45 Ca -0.02 -0.45 0.00 0.00 0.02 0.00 0.00 56.10 55.65 1h2o s TRP 45 Cb 0.02 -0.92 0.00 0.00 -1.15 0.00 0.00 33.47 31.42 1h2o s TRP 45 CO 0.18 0.47 0.00 0.41 0.02 0.00 0.00 176.95 178.03 1h2o n GLY 46 N -0.18 2.25 0.54 0.98 0.00 -1.26 -3.16 105.19 104.37 1h2o n GLY 46 Ca -0.09 -0.12 -0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 0.41 -0.04 0.00 1.61 9.92 -1.26 -4.96 116.55 122.23 1h2o n ASP 47 Ca 0.00 -1.27 0.00 0.00 -0.53 0.00 0.00 54.79 52.99 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 0.01 1.85 0.88 0.44 0.00 -1.26 -5.11 105.19 101.99 1h2o n GLY 48 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.51 3.71 -0.02 0.00 -1.26 -4.86 105.19 100.25 1h2o n GLY 49 Ca 0.00 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 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 -3.63 4.41 0.00 1.61 0.04 -1.26 -2.72 135.00 133.45 1h2o s PRO 50 Ca 0.18 1.81 0.00 0.00 0.04 0.00 0.00 61.00 63.03 1h2o s PRO 50 Cb -0.02 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.17 1h2o s PRO 50 CO 0.14 -0.30 0.00 0.41 0.04 0.00 0.00 177.00 177.29 1h2o n GLY 51 N 3.27 0.70 3.77 0.56 0.00 0.39 -4.96 105.19 108.92 1h2o n GLY 51 Ca 0.09 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 -2.11 2.89 -0.07 2.61 2.01 -1.10 -4.65 115.64 115.22 1h2o s THR 52 Ca 0.00 0.29 -0.01 0.00 0.31 0.00 0.00 61.69 62.28 1h2o s THR 52 Cb 0.00 -2.92 0.03 0.00 0.01 0.00 0.00 72.50 69.61 1h2o s THR 52 CO 0.00 -0.38 0.00 -0.63 -0.69 0.00 0.00 174.62 172.92 1h2o s ILE 53 N -3.06 0.38 -0.12 1.82 1.01 -1.19 -0.71 121.20 119.33 1h2o s ILE 53 Ca 0.62 0.12 -0.02 0.00 0.00 0.00 0.00 60.65 61.36 1h2o s ILE 53 Cb -0.16 -0.54 -0.03 0.00 0.01 0.00 0.00 42.46 41.75 1h2o s ILE 53 CO 0.55 0.26 -0.03 -0.54 0.00 0.00 0.00 174.94 175.19 1h2o s LYS 54 N 1.96 3.30 -0.73 2.79 1.02 0.31 0.24 119.74 128.63 1h2o s LYS 54 Ca 0.05 -0.49 -0.13 0.00 0.02 0.00 0.00 55.97 55.42 1h2o s LYS 54 Cb -0.12 -2.83 0.19 0.00 -0.52 0.00 0.00 37.83 34.55 1h2o s LYS 54 CO -0.05 0.46 0.66 0.21 -0.92 0.00 0.00 175.35 175.71 1h2o s LYS 55 N -0.23 3.32 0.26 1.68 2.20 -0.70 0.15 119.74 126.43 1h2o s LYS 55 Ca 0.04 -2.28 -0.29 0.00 -0.36 0.00 0.00 55.97 53.09 1h2o s LYS 55 Cb -0.13 -4.31 -0.09 0.00 -1.51 0.00 0.00 37.83 31.79 1h2o s LYS 55 CO 0.02 -1.28 0.94 0.42 -0.36 0.00 0.00 175.35 175.09 1h2o s ILE 56 N 0.50 4.10 0.25 5.43 1.01 0.88 -2.81 121.20 130.56 1h2o s ILE 56 Ca 0.14 2.01 0.10 0.00 0.00 0.00 0.00 60.65 62.90 1h2o s ILE 56 Cb -0.16 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.03 1h2o s ILE 56 CO -0.06 0.40 -0.07 0.42 0.00 0.00 0.00 174.94 175.63 1h2o s THR 57 N -1.30 3.14 -0.06 2.92 -4.23 0.19 0.15 115.64 116.45 1h2o s THR 57 Ca 0.44 -1.99 0.06 0.00 -1.18 0.00 0.00 61.69 59.02 1h2o s THR 57 Cb -0.24 -2.65 -0.01 0.00 1.34 0.00 0.00 72.50 70.94 1h2o s THR 57 CO 0.30 -0.32 -0.24 -0.36 -0.54 0.00 0.00 174.62 173.46 1h2o s PHE 58 N -2.23 2.46 -2.16 3.99 0.08 0.76 0.22 117.98 121.09 1h2o s PHE 58 Ca 0.30 -0.65 0.26 0.00 0.12 0.00 0.00 56.93 56.96 1h2o s PHE 58 Cb -0.07 -1.60 0.67 0.00 -0.57 0.00 0.00 43.02 41.46 1h2o s PHE 58 CO 0.18 -0.17 1.52 0.41 -0.10 0.00 0.00 175.22 177.06 1h2o n GLY 59 N 2.87 -0.15 3.49 4.36 0.00 -1.17 -4.27 105.19 110.32 1h2o n GLY 59 Ca -0.17 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.29 2.49 0.00 1.61 2.12 -1.25 -5.00 118.70 116.38 1h2o s GLU 60 Ca 0.28 -0.71 0.00 0.00 0.36 0.00 0.00 54.97 54.90 1h2o s GLU 60 Cb 0.20 -2.39 0.00 0.00 0.26 0.00 0.00 34.13 32.20 1h2o s GLU 60 CO 0.45 0.62 0.00 0.41 -0.54 0.00 0.00 175.26 176.20 1h2o n GLY 61 N 2.18 -0.02 0.00 -1.50 0.00 -1.26 -4.88 105.19 99.72 1h2o n GLY 61 Ca -0.17 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.81 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 -1.37 0.10 1.61 3.41 -1.26 -4.87 113.62 111.24 1h2o n SER 62 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.57 1h2o n SER 62 Cb 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 63.97 1h2o n SER 62 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1h2o h GLN 63 N 0.00 0.00 -4.25 4.33 4.15 -1.97 -3.41 115.11 113.96 1h2o h GLN 63 Ca 0.00 0.00 -0.61 0.00 0.77 0.00 0.00 58.65 58.81 1h2o h GLN 63 Cb 0.00 0.00 -0.39 0.00 0.21 0.00 0.00 27.48 27.30 1h2o h GLN 63 CO 0.00 0.79 -0.77 0.71 -1.93 0.00 0.00 178.83 177.64 1h2o s TYR 64 N -3.11 2.52 -0.34 3.99 2.02 -1.26 -5.05 117.35 116.12 1h2o s TYR 64 Ca 0.00 -2.00 -0.01 0.00 -0.37 0.00 0.00 57.07 54.69 1h2o s TYR 64 Cb 0.11 -1.88 0.12 0.00 -0.40 0.00 0.00 41.96 39.91 1h2o s TYR 64 CO 0.79 -0.83 0.17 0.20 -1.57 0.00 0.00 175.55 174.31 1h2o s GLY 65 N 1.34 0.95 0.19 0.71 0.00 -1.26 -5.05 107.32 104.21 1h2o s GLY 65 Ca 0.01 -1.75 -0.01 0.00 0.00 0.00 0.00 44.72 42.97 1h2o s GLY 65 CO -0.10 1.88 0.11 -2.52 0.00 0.00 0.00 173.10 172.47 1h2o s TYR 66 N 1.32 1.12 0.25 1.90 -0.85 -1.26 0.27 117.35 120.11 1h2o s TYR 66 Ca 0.14 -1.32 0.02 0.00 -0.52 0.00 0.00 57.07 55.39 1h2o s TYR 66 Cb -0.20 -0.57 -0.04 0.00 0.38 0.00 0.00 41.96 41.53 1h2o s TYR 66 CO -0.15 -0.58 0.18 0.14 -1.52 0.00 0.00 175.55 173.62 1h2o s VAL 67 N -4.09 0.05 -0.11 -3.49 -7.23 0.40 -4.35 120.40 101.59 1h2o s VAL 67 Ca 0.35 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.54 1h2o s VAL 67 Cb 0.07 -2.51 0.01 0.00 0.56 0.00 0.00 36.38 34.52 1h2o s VAL 67 CO 0.10 0.00 -0.17 -0.54 -0.31 0.00 0.00 175.10 174.17 1h2o s LYS 68 N -3.90 2.41 -0.11 4.82 1.02 -1.19 -0.08 119.74 122.70 1h2o s LYS 68 Ca 0.39 -0.64 -0.01 0.00 0.02 0.00 0.00 55.97 55.73 1h2o s LYS 68 Cb 0.05 -1.99 -0.03 0.00 -0.52 0.00 0.00 37.83 35.35 1h2o s LYS 68 CO 0.17 -0.02 -0.07 -1.01 -0.92 0.00 0.00 175.35 173.51 1h2o s HIS 69 N 0.85 2.95 -0.29 3.18 3.76 0.40 -2.45 115.29 123.70 1h2o s HIS 69 Ca -0.09 -0.22 -0.07 0.00 -0.15 0.00 0.00 55.06 54.54 1h2o s HIS 69 Cb -0.15 -1.83 0.00 0.00 1.11 0.00 0.00 32.58 31.71 1h2o s HIS 69 CO 0.00 0.10 0.07 0.21 -0.85 0.00 0.00 174.74 174.27 1h2o s LYS 70 N -0.16 3.18 0.01 1.40 2.20 0.71 0.11 119.74 127.20 1h2o s LYS 70 Ca 0.02 -0.80 -0.30 0.00 -0.36 0.00 0.00 55.97 54.53 1h2o s LYS 70 Cb -0.13 -3.35 -0.08 0.00 -1.51 0.00 0.00 37.83 32.76 1h2o s LYS 70 CO 0.03 -0.40 1.83 0.42 -0.36 0.00 0.00 175.35 176.86 1h2o s ILE 71 N 1.51 3.19 -0.19 5.43 -1.09 0.11 0.01 121.20 130.18 1h2o s ILE 71 Ca 0.03 0.30 -0.08 0.00 -2.23 0.00 0.00 60.65 58.68 1h2o s ILE 71 Cb -0.17 -3.19 -0.21 0.00 -1.58 0.00 0.00 42.46 37.31 1h2o s ILE 71 CO 0.02 -0.02 0.12 0.47 -1.23 0.00 0.00 174.94 174.30 1h2o n ASP 72 N 7.15 2.03 -3.53 3.58 8.00 0.59 0.15 116.55 134.52 1h2o n ASP 72 Ca 0.19 0.17 -0.07 0.00 0.71 0.00 0.00 54.79 55.78 1h2o n ASP 72 Cb 0.41 -0.76 -0.02 0.00 -0.02 0.00 0.00 41.12 40.73 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 -6.92 -0.30 0.04 -2.24 1.04 0.00 -4.63 113.70 100.69 1h2o s SER 73 Ca -0.28 0.03 -0.04 0.00 0.48 0.00 0.00 55.95 56.14 1h2o s SER 73 Cb 0.08 0.31 -0.02 0.00 0.10 0.00 0.00 66.02 66.49 1h2o s SER 73 CO 0.67 -0.49 0.05 -0.63 0.98 0.00 0.00 173.24 173.82 1h2o s ILE 74 N -2.77 0.16 -0.49 -1.02 1.01 -1.26 -0.45 121.20 116.38 1h2o s ILE 74 Ca 0.06 -1.31 0.05 0.00 0.00 0.00 0.00 60.65 59.44 1h2o s ILE 74 Cb -0.01 -1.05 0.18 0.00 0.01 0.00 0.00 42.46 41.58 1h2o s ILE 74 CO -0.07 -0.72 0.40 0.47 0.00 0.00 0.00 174.94 175.02 1h2o n ASP 75 N 0.59 0.52 0.14 3.58 8.00 0.38 -4.92 116.55 124.84 1h2o n ASP 75 Ca -0.18 -2.63 0.10 0.00 0.71 0.00 0.00 54.79 52.80 1h2o n ASP 75 Cb 0.59 -0.61 0.52 0.00 -0.02 0.00 0.00 41.12 41.60 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 2.48 0.14 -0.05 -1.24 5.02 -1.26 0.27 118.16 123.52 1h2o n LYS 76 Ca 0.27 0.56 -0.12 0.00 -2.02 0.00 0.00 58.31 57.01 1h2o n LYS 76 Cb 0.45 -1.90 -0.14 0.00 -0.02 0.00 0.00 35.03 33.42 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 -2.19 0.67 0.00 1.97 1.02 -1.26 -4.26 120.64 116.59 1h2o n GLU 77 Ca -0.00 0.18 0.08 0.00 -0.02 0.00 0.00 57.16 57.40 1h2o n GLU 77 Cb 0.09 -1.67 -0.04 0.00 -0.02 0.00 0.00 31.44 29.80 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 -3.03 1.32 -2.56 1.62 3.02 -0.70 -5.00 115.26 109.93 1h2o n ASN 78 Ca -0.27 -1.16 -0.11 0.00 -0.03 0.00 0.00 54.58 53.02 1h2o n ASN 78 Cb 1.08 0.69 0.06 0.00 -0.61 0.00 0.00 39.78 40.99 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 -0.62 -1.41 -4.38 3.10 4.01 0.78 -4.24 117.16 114.39 1h2o n TYR 79 Ca 0.05 0.60 -0.27 0.00 -0.16 0.00 0.00 57.90 58.12 1h2o n TYR 79 Cb 0.32 -3.95 -0.12 0.00 -0.31 0.00 0.00 39.34 35.27 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 -3.83 3.19 -0.01 7.72 0.01 -0.90 -0.56 113.70 119.31 1h2o s SER 80 Ca 0.02 -0.78 0.00 0.00 1.31 0.00 0.00 55.95 56.50 1h2o s SER 80 Cb -0.00 -0.21 0.01 0.00 0.21 0.00 0.00 66.02 66.02 1h2o s SER 80 CO 0.47 0.13 0.01 -0.47 0.41 0.00 0.00 173.24 173.79 1h2o s TYR 81 N -1.31 0.02 -0.04 2.43 5.04 0.33 -0.47 117.35 123.35 1h2o s TYR 81 Ca 0.15 0.04 -0.02 0.00 -2.44 0.00 0.00 57.07 54.80 1h2o s TYR 81 Cb -0.09 -0.09 0.03 0.00 0.35 0.00 0.00 41.96 42.16 1h2o s TYR 81 CO 0.07 -0.03 0.05 -1.12 -1.34 0.00 0.00 175.55 173.18 1h2o s SER 82 N 0.35 1.03 0.28 4.32 0.01 0.41 0.16 113.70 120.26 1h2o s SER 82 Ca -0.03 0.05 0.03 0.00 1.31 0.00 0.00 55.95 57.31 1h2o s SER 82 Cb -0.04 -0.17 -0.03 0.00 0.21 0.00 0.00 66.02 65.99 1h2o s SER 82 CO -0.01 -0.22 0.25 -0.72 0.41 0.00 0.00 173.24 172.94 1h2o s TYR 83 N 1.98 1.43 0.01 2.43 1.13 -0.06 0.22 117.35 124.49 1h2o s TYR 83 Ca 0.03 -1.49 0.04 0.00 -1.41 0.00 0.00 57.07 54.23 1h2o s TYR 83 Cb -0.12 -0.57 -0.01 0.00 -1.10 0.00 0.00 41.96 40.15 1h2o s TYR 83 CO -0.03 -0.81 -0.11 0.99 -2.51 0.00 0.00 175.55 173.07 1h2o s THR 84 N -3.69 0.89 -0.26 -3.49 2.01 0.10 0.37 115.64 111.57 1h2o s THR 84 Ca 0.39 -0.71 -0.14 0.00 0.31 0.00 0.00 61.69 61.54 1h2o s THR 84 Cb 0.04 -0.79 -0.04 0.00 0.01 0.00 0.00 72.50 71.72 1h2o s THR 84 CO 0.21 0.08 0.33 -0.22 -0.69 0.00 0.00 174.62 174.33 1h2o s LEU 85 N -0.70 4.05 -0.02 4.42 2.96 0.13 -0.21 118.68 129.32 1h2o s LEU 85 Ca 0.02 0.25 0.15 0.00 -0.22 0.00 0.00 54.13 54.33 1h2o s LEU 85 Cb -0.06 -2.35 -0.22 0.00 0.50 0.00 0.00 46.19 44.05 1h2o s LEU 85 CO 0.00 -0.13 0.40 2.30 -1.32 0.00 0.00 176.35 177.61 1h2o n ILE 86 N 4.95 0.00 -4.03 6.68 -5.35 -1.03 -1.83 119.36 118.75 1h2o n ILE 86 Ca -0.10 -0.31 -0.10 0.00 -0.27 0.00 0.00 62.75 61.96 1h2o n ILE 86 Cb 0.51 0.32 -0.11 0.00 -1.74 0.00 0.00 39.64 38.62 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 -2.94 0.45 0.00 6.28 2.12 -1.25 -4.90 118.70 118.46 1h2o s GLU 87 Ca -0.03 -0.77 0.00 0.00 0.36 0.00 0.00 54.97 54.53 1h2o s GLU 87 Cb 0.10 -0.06 0.00 0.00 0.26 0.00 0.00 34.13 34.43 1h2o s GLU 87 CO 0.64 -0.01 0.00 0.41 -0.54 0.00 0.00 175.26 175.75 1h2o n GLY 88 N 1.31 2.88 0.17 -1.50 0.00 -1.26 -3.18 105.19 103.61 1h2o n GLY 88 Ca -0.22 0.02 0.12 0.00 0.00 0.00 0.00 46.02 45.95 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 1.75 1.61 3.32 -1.97 -1.25 116.42 119.88 1h2o h ASP 89 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1h2o h ASP 89 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1h2o h ASP 89 CO 0.00 0.00 -0.11 0.00 -1.72 0.00 0.00 179.24 177.41 1h2o h ALA 90 N 2.10 0.94 0.00 3.45 0.00 -1.96 -3.19 119.26 120.60 1h2o h ALA 90 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1h2o h ALA 90 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1h2o h ALA 90 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 179.25 179.18 1h2o h LEU 91 N 0.00 0.00 0.00 0.00 3.38 -1.55 -3.47 115.31 113.67 1h2o h LEU 91 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1h2o h LEU 91 Cb 0.93 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1h2o h LEU 91 CO 0.00 0.00 -0.05 0.61 0.09 0.00 0.00 178.44 179.09 1h2o n GLY 92 N -0.67 -0.39 0.67 0.83 0.00 -1.21 -0.76 105.19 103.66 1h2o n GLY 92 Ca -0.02 -0.33 0.04 0.00 0.00 0.00 0.00 46.02 45.72 1h2o n GLY 92 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1h2o n ASP 93 N -3.93 1.90 -0.06 1.61 5.68 -1.26 -3.74 116.55 116.74 1h2o n ASP 93 Ca 0.00 -2.09 -0.06 0.00 -0.50 0.00 0.00 54.79 52.14 1h2o n ASP 93 Cb 0.07 -0.29 -0.10 0.00 -1.14 0.00 0.00 41.12 39.66 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 0.34 0.89 -4.10 2.12 -2.24 -1.21 -4.89 114.28 105.19 1h2o n THR 94 Ca 0.10 -0.55 -0.22 0.00 -2.27 0.00 0.00 64.05 61.11 1h2o n THR 94 Cb 0.34 -0.64 -0.05 0.00 -2.10 0.00 0.00 70.33 67.88 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 -4.95 3.60 0.00 3.22 1.43 0.06 -1.55 118.68 120.49 1h2o s LEU 95 Ca -0.06 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 1h2o s LEU 95 Cb 0.04 -2.13 0.00 0.00 0.03 0.00 0.00 46.19 44.12 1h2o s LEU 95 CO 0.54 -0.10 0.00 -0.62 0.23 0.00 0.00 176.35 176.39 1h2o n GLU 96 N -1.15 0.00 -2.77 1.70 1.02 0.22 -4.63 120.64 115.03 1h2o n GLU 96 Ca -0.06 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.68 1h2o n GLU 96 Cb 0.59 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.95 1h2o n GLU 96 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1h2o s LYS 97 N 0.00 4.82 -0.02 3.49 1.02 -1.18 -4.70 119.74 123.17 1h2o s LYS 97 Ca 0.00 1.45 0.02 0.00 0.02 0.00 0.00 55.97 57.46 1h2o s LYS 97 Cb 0.00 -3.25 0.01 0.00 -0.52 0.00 0.00 37.83 34.07 1h2o s LYS 97 CO 0.00 0.51 -0.05 0.42 -0.92 0.00 0.00 175.35 175.31 1h2o s ILE 98 N -1.20 0.49 -0.13 2.17 1.01 -0.76 0.16 121.20 122.94 1h2o s ILE 98 Ca 0.41 -0.19 -0.03 0.00 0.00 0.00 0.00 60.65 60.84 1h2o s ILE 98 Cb -0.25 -0.46 -0.03 0.00 0.01 0.00 0.00 42.46 41.72 1h2o s ILE 98 CO 0.31 0.17 -0.04 -0.44 0.00 0.00 0.00 174.94 174.95 1h2o s SER 99 N 0.31 4.84 -0.07 3.58 0.01 -0.11 0.20 113.70 122.46 1h2o s SER 99 Ca -0.04 -0.07 0.04 0.00 1.31 0.00 0.00 55.95 57.20 1h2o s SER 99 Cb -0.08 -1.62 -0.00 0.00 0.21 0.00 0.00 66.02 64.53 1h2o s SER 99 CO -0.00 0.24 -0.21 -0.31 0.41 0.00 0.00 173.24 173.37 1h2o s TYR 100 N -0.05 2.16 -0.04 2.43 2.02 0.16 0.86 117.35 124.89 1h2o s TYR 100 Ca 0.02 -0.77 0.01 0.00 -0.37 0.00 0.00 57.07 55.96 1h2o s TYR 100 Cb -0.13 -1.46 0.02 0.00 -0.40 0.00 0.00 41.96 39.99 1h2o s TYR 100 CO 0.03 -0.30 -0.04 -1.21 -1.57 0.00 0.00 175.55 172.46 1h2o s GLU 101 N 0.22 0.78 -0.03 -0.62 2.02 0.44 -0.88 118.70 120.63 1h2o s GLU 101 Ca -0.12 -0.10 0.03 0.00 0.02 0.00 0.00 54.97 54.81 1h2o s GLU 101 Cb -0.15 -0.79 -0.00 0.00 0.10 0.00 0.00 34.13 33.29 1h2o s GLU 101 CO 0.05 -0.07 -0.13 0.99 0.02 0.00 0.00 175.26 176.13 1h2o s THR 102 N 0.84 1.08 -0.02 3.63 2.01 0.41 0.20 115.64 123.79 1h2o s THR 102 Ca -0.11 -0.53 0.02 0.00 0.31 0.00 0.00 61.69 61.38 1h2o s THR 102 Cb -0.14 -0.94 0.01 0.00 0.01 0.00 0.00 72.50 71.44 1h2o s THR 102 CO 0.00 0.32 -0.06 -0.54 -0.69 0.00 0.00 174.62 173.65 1h2o s LYS 103 N 0.09 0.72 0.13 4.92 1.02 0.23 0.12 119.74 126.97 1h2o s LYS 103 Ca -0.03 -0.21 0.09 0.00 0.02 0.00 0.00 55.97 55.84 1h2o s LYS 103 Cb -0.10 -0.70 -0.04 0.00 -0.52 0.00 0.00 37.83 36.47 1h2o s LYS 103 CO 0.01 0.07 -0.16 -0.51 -0.92 0.00 0.00 175.35 173.84 1h2o s LEU 104 N 0.26 2.78 0.00 3.17 1.43 0.27 0.18 118.68 126.77 1h2o s LEU 104 Ca -0.03 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 52.50 1h2o s LEU 104 Cb -0.08 -1.58 0.00 0.00 0.03 0.00 0.00 46.19 44.56 1h2o s LEU 104 CO 0.00 0.16 0.00 0.52 0.23 0.00 0.00 176.35 177.26 1h2o n VAL 105 N 0.60 0.00 -4.34 -1.59 0.31 0.49 -4.64 118.33 109.16 1h2o n VAL 105 Ca -0.14 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 63.96 1h2o n VAL 105 Cb 0.53 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.35 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 -1.60 2.04 0.39 3.52 0.00 -1.26 -1.21 121.76 123.64 1h2o s ALA 106 Ca 0.00 -1.46 0.08 0.00 0.00 0.00 0.00 51.96 50.57 1h2o s ALA 106 Cb 0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 23.12 22.85 1h2o s ALA 106 CO 0.00 0.28 0.15 -1.54 0.00 0.00 0.00 175.76 174.65 1h2o s SER 107 N -2.52 4.44 0.00 0.00 1.04 -0.56 -4.50 113.70 111.61 1h2o s SER 107 Ca 0.15 -1.00 0.20 0.00 0.48 0.00 0.00 55.95 55.78 1h2o s SER 107 Cb -0.07 -0.54 1.05 0.00 0.10 0.00 0.00 66.02 66.56 1h2o s SER 107 CO 0.07 -0.44 1.61 -0.81 0.98 0.00 0.00 173.24 174.64 1h2o n PRO 108 N -1.18 0.37 -0.25 4.02 -0.04 -1.26 -2.42 135.00 134.25 1h2o n PRO 108 Ca -0.02 0.07 0.09 0.00 -0.04 0.00 0.00 63.50 63.61 1h2o n PRO 108 Cb 0.63 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.82 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 -1.21 3.38 0.00 3.54 3.41 -1.26 -4.94 113.62 116.54 1h2o n SER 109 Ca 0.11 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.75 1h2o n SER 109 Cb 0.13 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 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 1.14 2.72 0.57 5.00 0.00 -1.01 -5.02 105.19 108.58 1h2o n GLY 110 Ca 0.18 -0.28 -0.05 0.00 0.00 0.00 0.00 46.02 45.86 1h2o n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h2o n GLY 111 N 0.00 -3.60 2.95 -0.02 0.00 -1.26 -4.63 105.19 98.62 1h2o n GLY 111 Ca 0.00 -1.18 -0.18 0.00 0.00 0.00 0.00 46.02 44.66 1h2o n GLY 111 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h2o s SER 112 N -2.14 0.81 0.24 1.61 1.04 0.49 -1.49 113.70 114.27 1h2o s SER 112 Ca 0.12 -0.12 -0.13 0.00 0.48 0.00 0.00 55.95 56.30 1h2o s SER 112 Cb -0.02 -0.22 -0.08 0.00 0.10 0.00 0.00 66.02 65.80 1h2o s SER 112 CO 0.10 0.03 0.62 -0.63 0.98 0.00 0.00 173.24 174.33 1h2o s ILE 113 N 0.26 4.82 -0.07 -1.02 1.01 -0.35 0.18 121.20 126.02 1h2o s ILE 113 Ca -0.03 0.73 0.00 0.00 0.00 0.00 0.00 60.65 61.35 1h2o s ILE 113 Cb -0.07 -3.65 0.02 0.00 0.01 0.00 0.00 42.46 38.77 1h2o s ILE 113 CO -0.00 -0.04 -0.06 -0.63 0.00 0.00 0.00 174.94 174.22 1h2o s ILE 114 N -1.79 0.74 -0.31 2.92 1.01 0.41 0.18 121.20 124.36 1h2o s ILE 114 Ca 0.48 -0.17 -0.03 0.00 0.00 0.00 0.00 60.65 60.93 1h2o s ILE 114 Cb -0.12 -0.78 0.05 0.00 0.01 0.00 0.00 42.46 41.62 1h2o s ILE 114 CO 0.20 0.30 0.02 -0.75 0.00 0.00 0.00 174.94 174.71 1h2o s LYS 115 N 1.36 2.46 0.23 2.79 2.20 0.48 -1.20 119.74 128.06 1h2o s LYS 115 Ca -0.03 -1.25 0.05 0.00 -0.36 0.00 0.00 55.97 54.37 1h2o s LYS 115 Cb -0.14 -3.25 -0.03 0.00 -1.51 0.00 0.00 37.83 32.91 1h2o s LYS 115 CO -0.03 -0.64 0.32 -1.12 -0.36 0.00 0.00 175.35 173.53 1h2o s SER 116 N 1.29 6.18 -0.20 1.43 0.01 -0.12 0.75 113.70 123.05 1h2o s SER 116 Ca -0.04 0.03 -0.14 0.00 1.31 0.00 0.00 55.95 57.11 1h2o s SER 116 Cb -0.20 -1.79 0.06 0.00 0.21 0.00 0.00 66.02 64.30 1h2o s SER 116 CO -0.00 -0.05 0.50 -0.89 0.41 0.00 0.00 173.24 173.21 1h2o s THR 117 N -1.97 -0.01 0.02 1.44 2.01 0.54 -0.54 115.64 117.12 1h2o s THR 117 Ca 0.34 0.04 0.02 0.00 0.31 0.00 0.00 61.69 62.40 1h2o s THR 117 Cb -0.09 -0.72 -0.01 0.00 0.01 0.00 0.00 72.50 71.68 1h2o s THR 117 CO 0.28 0.02 -0.06 -0.44 -0.69 0.00 0.00 174.62 173.73 1h2o s SER 118 N 1.04 0.68 0.04 3.53 0.01 0.76 0.17 113.70 119.93 1h2o s SER 118 Ca -0.06 -0.30 0.04 0.00 1.31 0.00 0.00 55.95 56.94 1h2o s SER 118 Cb -0.06 -0.02 -0.02 0.00 0.21 0.00 0.00 66.02 66.13 1h2o s SER 118 CO -0.09 -0.06 -0.12 -1.00 0.41 0.00 0.00 173.24 172.38 1h2o s HIS 119 N -0.69 1.03 -0.16 2.43 3.76 0.25 -0.58 115.29 121.32 1h2o s HIS 119 Ca -0.04 -0.37 0.01 0.00 -0.15 0.00 0.00 55.06 54.51 1h2o s HIS 119 Cb -0.06 -0.61 0.02 0.00 1.11 0.00 0.00 32.58 33.05 1h2o s HIS 119 CO 0.00 0.01 -0.18 0.71 -0.85 0.00 0.00 174.74 174.43 1h2o s TYR 120 N -0.96 2.55 -0.55 1.40 2.02 -1.03 -0.94 117.35 119.86 1h2o s TYR 120 Ca -0.01 -1.47 -0.20 0.00 -0.37 0.00 0.00 57.07 55.02 1h2o s TYR 120 Cb -0.08 -1.79 0.07 0.00 -0.40 0.00 0.00 41.96 39.75 1h2o s TYR 120 CO 0.01 -0.74 0.71 -1.01 -1.57 0.00 0.00 175.55 172.95 1h2o s HIS 121 N 1.31 2.97 0.72 2.71 3.76 0.43 0.12 115.29 127.31 1h2o s HIS 121 Ca 0.04 -0.58 -0.04 0.00 -0.15 0.00 0.00 55.06 54.33 1h2o s HIS 121 Cb -0.13 -3.78 0.10 0.00 1.11 0.00 0.00 32.58 29.87 1h2o s HIS 121 CO -0.11 -1.19 1.00 -0.08 -0.85 0.00 0.00 174.74 173.51 1h2o s THR 122 N 2.93 2.26 -0.10 1.30 -1.32 -1.26 -0.61 115.64 118.85 1h2o s THR 122 Ca 0.17 -0.42 -0.03 0.00 -1.21 0.00 0.00 61.69 60.19 1h2o s THR 122 Cb -0.19 -2.84 0.05 0.00 -1.51 0.00 0.00 72.50 68.00 1h2o s THR 122 CO 0.11 0.00 0.12 -0.75 -2.21 0.00 0.00 174.62 171.89 1h2o s LYS 123 N -5.21 0.02 0.00 7.08 2.20 -0.59 -4.82 119.74 118.42 1h2o s LYS 123 Ca 0.64 0.34 0.00 0.00 -0.36 0.00 0.00 55.97 56.59 1h2o s LYS 123 Cb -0.08 -0.74 0.00 0.00 -1.51 0.00 0.00 37.83 35.50 1h2o s LYS 123 CO 0.44 -0.42 0.00 0.41 -0.36 0.00 0.00 175.35 175.43 1h2o n GLY 124 N 5.31 0.40 2.41 5.54 0.00 -1.26 -4.72 105.19 112.87 1h2o n GLY 124 Ca -0.05 -1.32 -0.22 0.00 0.00 0.00 0.00 46.02 44.43 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 1.93 -4.07 1.61 5.15 -1.26 -5.08 115.26 113.54 1h2o n ASN 125 Ca 0.00 -3.18 -0.11 0.00 -0.60 0.00 0.00 54.58 50.69 1h2o n ASN 125 Cb 0.00 -0.61 -0.11 0.00 -0.53 0.00 0.00 39.78 38.53 1h2o n ASN 125 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1h2o s VAL 126 N -2.82 0.42 0.33 3.44 -7.23 -1.26 -5.17 120.40 108.11 1h2o s VAL 126 Ca 0.42 -1.32 0.04 0.00 -1.81 0.00 0.00 61.98 59.32 1h2o s VAL 126 Cb 0.29 -0.87 -0.07 0.00 0.56 0.00 0.00 36.38 36.30 1h2o s VAL 126 CO -0.10 -0.60 0.04 -1.61 -0.31 0.00 0.00 175.10 172.53 1h2o s GLU 127 N -2.34 1.68 1.13 4.82 2.02 -1.26 -4.81 118.70 119.93 1h2o s GLU 127 Ca -0.05 -1.93 -0.15 0.00 0.02 0.00 0.00 54.97 52.86 1h2o s GLU 127 Cb -0.04 -0.97 0.25 0.00 0.10 0.00 0.00 34.13 33.47 1h2o s GLU 127 CO -0.02 -0.16 1.07 0.42 0.02 0.00 0.00 175.26 176.59 1h2o s ILE 128 N -3.21 1.81 0.07 -1.63 -1.09 -1.26 -5.03 121.20 110.86 1h2o s ILE 128 Ca 0.36 0.00 -0.01 0.00 -2.23 0.00 0.00 60.65 58.76 1h2o s ILE 128 Cb 0.09 -2.39 -0.04 0.00 -1.58 0.00 0.00 42.46 38.53 1h2o s ILE 128 CO 0.15 0.00 0.24 -0.54 -1.23 0.00 0.00 174.94 173.57 1h2o s LYS 129 N -5.03 3.48 0.67 2.79 1.02 -1.26 -4.96 119.74 116.45 1h2o s LYS 129 Ca 0.68 -0.35 0.36 0.00 0.02 0.00 0.00 55.97 56.68 1h2o s LYS 129 Cb -0.16 -3.01 1.97 0.00 -0.52 0.00 0.00 37.83 36.11 1h2o s LYS 129 CO 0.58 0.59 2.11 0.93 -0.92 0.00 0.00 175.35 178.64 1h2o h GLU 130 N 3.12 0.00 -0.27 1.68 5.08 -2.00 -0.02 114.58 122.17 1h2o h GLU 130 Ca -0.46 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 57.71 1h2o h GLU 130 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1h2o h GLU 130 CO 0.75 0.00 -0.59 0.93 -1.00 0.00 0.00 179.01 179.10 1h2o h GLU 131 N 0.00 0.87 -0.29 2.33 5.08 -1.95 -1.56 114.58 119.06 1h2o h GLU 131 Ca 0.00 -0.57 -0.03 0.00 -1.00 0.00 0.00 59.36 57.75 1h2o h GLU 131 Cb 0.39 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1h2o h GLU 131 CO -0.00 1.21 0.05 0.45 -1.00 0.00 0.00 179.01 179.71 1h2o h HIS 132 N 0.65 0.51 -0.50 4.33 3.86 -1.33 2.57 115.15 125.24 1h2o h HIS 132 Ca 0.00 -0.07 -0.06 0.00 -1.16 0.00 0.00 60.37 59.09 1h2o h HIS 132 Cb 1.20 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 29.51 1h2o h HIS 132 CO 0.07 0.58 0.10 0.28 0.86 0.00 0.00 177.93 179.82 1h2o h VAL 133 N 0.30 1.25 0.00 2.45 2.07 -1.54 -2.25 116.25 118.53 1h2o h VAL 133 Ca 0.09 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.71 1h2o h VAL 133 Cb 0.34 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1h2o h VAL 133 CO 0.01 0.32 -0.55 1.17 0.02 0.00 0.00 177.57 178.54 1h2o n LYS 134 N -4.43 0.29 0.32 1.57 4.81 -0.59 -4.14 118.16 116.00 1h2o n LYS 134 Ca 0.01 0.12 0.18 0.00 -0.87 0.00 0.00 58.31 57.75 1h2o n LYS 134 Cb 0.24 -0.99 0.98 0.00 0.02 0.00 0.00 35.03 35.29 1h2o n LYS 134 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1h2o h ALA 135 N -1.16 1.15 0.01 3.14 0.00 0.33 0.17 119.26 122.90 1h2o h ALA 135 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 1h2o h ALA 135 Cb 0.55 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1h2o h ALA 135 CO 0.00 -0.15 -0.88 0.78 0.00 0.00 0.00 179.25 178.99 1h2o h GLY 136 N 0.00 0.09 1.99 0.00 0.00 0.40 -2.22 103.07 103.34 1h2o h GLY 136 Ca 0.00 -0.17 -0.14 0.00 0.00 0.00 0.00 47.33 47.03 1h2o h GLY 136 CO 0.00 0.15 -0.64 0.50 0.00 0.00 0.00 176.54 176.55 1h2o h LYS 137 N 0.04 0.01 0.05 4.80 1.57 -0.77 -2.48 116.57 119.78 1h2o h LYS 137 Ca -0.03 -0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.49 1h2o h LYS 137 Cb 1.53 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.82 1h2o h LYS 137 CO 0.12 0.65 -1.30 1.49 -0.57 0.00 0.00 179.45 179.84 1h2o h GLU 138 N 0.00 0.11 -0.29 3.15 4.81 -1.49 -2.44 114.58 118.42 1h2o h GLU 138 Ca -0.01 -0.18 -0.16 0.00 -0.13 0.00 0.00 59.36 58.88 1h2o h GLU 138 Cb 1.14 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.58 1h2o h GLU 138 CO 0.08 0.97 -0.47 0.87 -0.73 0.00 0.00 179.01 179.74 1h2o h LYS 139 N 0.03 0.78 0.01 1.92 1.57 -1.36 -2.29 116.57 117.24 1h2o h LYS 139 Ca -0.14 -0.45 -0.21 0.00 -1.87 0.00 0.00 60.65 57.99 1h2o h LYS 139 Cb 1.91 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 34.23 1h2o h LYS 139 CO 0.14 1.08 -0.97 0.00 -0.57 0.00 0.00 179.45 179.13 1h2o h ALA 140 N 0.85 0.41 -0.28 3.86 0.00 -1.54 -3.29 119.26 119.26 1h2o h ALA 140 Ca 0.03 -0.85 -0.05 0.00 0.00 0.00 0.00 54.91 54.04 1h2o h ALA 140 Cb 1.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1h2o h ALA 140 CO 0.10 1.13 -0.02 0.77 0.00 0.00 0.00 179.25 181.23 1h2o h SER 141 N 0.02 0.50 -0.38 0.00 0.02 -1.37 -2.75 113.55 109.59 1h2o h SER 141 Ca -0.03 -0.33 0.08 0.00 -0.84 0.00 0.00 61.79 60.67 1h2o h SER 141 Cb 1.69 -0.14 -0.08 0.00 0.14 0.00 0.00 62.40 64.01 1h2o h SER 141 CO 0.13 0.71 -0.16 0.78 -1.14 0.00 0.00 176.83 177.15 1h2o h ASN 142 N 0.28 -0.56 -0.28 3.07 2.35 -1.48 -0.43 115.58 118.52 1h2o h ASN 142 Ca 0.08 0.14 0.05 0.00 -0.55 0.00 0.00 56.30 56.01 1h2o h ASN 142 Cb 0.47 0.32 -0.05 0.00 0.05 0.00 0.00 38.32 39.11 1h2o h ASN 142 CO 0.02 -0.20 -0.01 0.25 -1.65 0.00 0.00 177.43 175.84 1h2o h LEU 143 N -0.09 -0.13 -1.12 1.61 5.85 -1.61 -0.49 115.31 119.32 1h2o h LEU 143 Ca 0.19 0.07 0.15 0.00 0.84 0.00 0.00 57.88 59.12 1h2o h LEU 143 Cb 0.38 0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.45 1h2o h LEU 143 CO -0.44 -0.03 0.61 -0.26 -0.34 0.00 0.00 178.44 177.97 1h2o h PHE 144 N 0.07 1.00 0.00 1.25 0.04 -0.92 0.56 116.94 118.93 1h2o h PHE 144 Ca 0.13 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.93 1h2o h PHE 144 Cb 0.18 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 38.02 1h2o h PHE 144 CO -0.22 0.35 0.00 0.87 -0.60 0.00 0.00 178.31 178.71 1h2o h LYS 145 N 0.82 0.00 0.13 1.51 1.57 0.40 -2.73 116.57 118.28 1h2o h LYS 145 Ca 0.50 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.98 1h2o h LYS 145 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1h2o h LYS 145 CO -0.27 0.00 -1.39 -0.07 -0.57 0.00 0.00 179.45 177.15 1h2o h LEU 146 N 0.00 0.44 -0.17 2.94 3.38 0.13 -3.11 115.31 118.93 1h2o h LEU 146 Ca 0.00 -0.53 -0.03 0.00 0.09 0.00 0.00 57.88 57.41 1h2o h LEU 146 Cb 0.56 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1h2o h LEU 146 CO 0.00 1.42 -0.01 0.40 0.09 0.00 0.00 178.44 180.34 1h2o h ILE 147 N 0.08 1.27 -0.67 1.22 2.04 -1.07 -1.59 117.51 118.78 1h2o h ILE 147 Ca -0.19 -0.90 0.12 0.00 1.00 0.00 0.00 64.86 64.88 1h2o h ILE 147 Cb 2.01 1.53 -0.09 0.00 -0.74 0.00 0.00 36.82 39.54 1h2o h ILE 147 CO 0.19 0.27 0.23 -0.33 0.00 0.00 0.00 178.15 178.51 1h2o h GLU 148 N 0.03 0.37 -0.07 2.37 5.08 -1.58 0.32 114.58 121.10 1h2o h GLU 148 Ca 0.05 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 1h2o h GLU 148 Cb 0.41 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1h2o h GLU 148 CO 0.01 0.25 -0.20 1.15 -1.00 0.00 0.00 179.01 179.22 1h2o h THR 149 N 0.38 1.18 0.05 1.13 2.02 -1.43 0.44 112.91 116.68 1h2o h THR 149 Ca 0.36 -0.82 -0.00 0.00 0.77 0.00 0.00 66.41 66.71 1h2o h THR 149 Cb 0.51 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 1h2o h THR 149 CO -0.38 0.24 -0.02 0.22 0.37 0.00 0.00 175.52 175.96 1h2o h TYR 150 N 0.11 -0.06 0.18 3.16 3.20 0.63 0.67 116.97 124.85 1h2o h TYR 150 Ca 0.02 -0.00 -0.30 0.00 3.14 0.00 0.00 58.73 61.59 1h2o h TYR 150 Cb 0.41 0.02 0.02 0.00 1.54 0.00 0.00 36.73 38.72 1h2o h TYR 150 CO 0.00 0.01 -1.34 -0.07 -1.64 0.00 0.00 178.16 175.12 1h2o h LEU 151 N -0.11 0.59 -2.37 2.82 3.38 -1.14 0.86 115.31 119.34 1h2o h LEU 151 Ca -0.01 -0.64 -0.00 0.00 0.09 0.00 0.00 57.88 57.33 1h2o h LEU 151 Cb 0.09 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 1h2o h LEU 151 CO 0.01 1.50 -0.01 0.50 0.09 0.00 0.00 178.44 180.53 1h2o h LYS 152 N 0.10 0.00 0.00 1.13 3.64 -0.06 -3.01 116.57 118.37 1h2o h LYS 152 Ca -0.18 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.02 1h2o h LYS 152 Cb 2.05 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.84 1h2o h LYS 152 CO 0.23 0.01 -1.66 0.41 -2.27 0.00 0.00 179.45 176.17 1h2o n GLY 153 N -0.65 -0.38 3.16 5.01 0.00 0.22 -4.85 105.19 107.69 1h2o n GLY 153 Ca -0.02 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.23 3.49 -2.00 1.61 3.76 0.30 -4.90 115.29 115.32 1h2o s HIS 154 Ca -0.08 -2.37 0.09 0.00 -0.15 0.00 0.00 55.06 52.55 1h2o s HIS 154 Cb 0.03 -3.36 0.53 0.00 1.11 0.00 0.00 32.58 30.89 1h2o s HIS 154 CO 0.36 -0.92 1.12 -0.35 -0.85 0.00 0.00 174.74 174.10 1h2o n PRO 155 N 4.07 0.74 0.00 8.40 -0.04 -1.25 -2.56 135.00 144.36 1h2o n PRO 155 Ca 0.03 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.55 1h2o n PRO 155 Cb 0.40 -1.19 0.02 0.00 -0.04 0.00 0.00 33.50 32.70 1h2o n PRO 155 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1h2o n ASP 156 N -0.69 1.66 -4.57 3.54 8.00 -1.26 -4.57 116.55 118.66 1h2o n ASP 156 Ca 0.07 -1.33 -0.41 0.00 0.71 0.00 0.00 54.79 53.82 1h2o n ASP 156 Cb 0.03 0.24 -0.03 0.00 -0.02 0.00 0.00 41.12 41.34 1h2o n ASP 156 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h2o s ALA 157 N -1.26 2.70 -1.01 2.24 0.00 -1.06 -4.01 121.76 119.37 1h2o s ALA 157 Ca 0.12 -0.59 -0.13 0.00 0.00 0.00 0.00 51.96 51.37 1h2o s ALA 157 Cb 0.10 -4.13 0.13 0.00 0.00 0.00 0.00 23.12 19.21 1h2o s ALA 157 CO 0.22 -3.07 0.32 2.48 0.00 0.00 0.00 175.76 175.71 1h2o n TYR 158 N 10.19 -1.02 0.09 0.00 0.18 -1.26 -5.00 117.16 120.34 1h2o n TYR 158 Ca 0.15 0.37 0.01 0.00 1.88 0.00 0.00 57.90 60.31 1h2o n TYR 158 Cb 0.49 -1.19 0.01 0.00 -0.38 0.00 0.00 39.34 38.27 1h2o n TYR 158 CO 0.00 0.00 0.00 -1.71 -2.08 0.00 0.00 176.86 173.07