#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 4.99 0.64 1.61 0.11 -1.26 -3.53 120.40 122.97 1h2o s VAL 2 Ca 0.00 0.16 -0.00 0.00 -2.93 0.00 0.00 61.98 59.21 1h2o s VAL 2 Cb 0.00 -3.72 0.08 0.00 -1.53 0.00 0.00 36.38 31.21 1h2o s VAL 2 CO 0.00 -0.30 0.89 -0.36 -3.33 0.00 0.00 175.10 172.00 1h2o s PHE 3 N -2.07 2.25 -0.35 1.54 0.40 0.13 -4.83 117.98 115.06 1h2o s PHE 3 Ca 0.45 -0.12 0.04 0.00 -0.60 0.00 0.00 56.93 56.70 1h2o s PHE 3 Cb -0.11 -2.88 0.16 0.00 0.51 0.00 0.00 43.02 40.70 1h2o s PHE 3 CO 0.29 -1.30 0.45 0.99 0.70 0.00 0.00 175.22 176.35 1h2o s THR 4 N -2.97 -0.59 0.05 0.64 2.01 -1.26 -2.76 115.64 110.76 1h2o s THR 4 Ca 0.62 -0.54 0.07 0.00 0.31 0.00 0.00 61.69 62.15 1h2o s THR 4 Cb -0.08 -0.62 -0.03 0.00 0.01 0.00 0.00 72.50 71.78 1h2o s THR 4 CO 0.42 -0.35 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.51 1h2o s TYR 5 N 1.89 2.57 0.03 4.92 2.02 0.30 -4.95 117.35 124.12 1h2o s TYR 5 Ca 0.14 -0.25 -0.03 0.00 -0.37 0.00 0.00 57.07 56.56 1h2o s TYR 5 Cb -0.12 -1.45 -0.02 0.00 -0.40 0.00 0.00 41.96 39.98 1h2o s TYR 5 CO -0.13 0.28 0.04 -1.83 -1.57 0.00 0.00 175.55 172.34 1h2o s GLU 6 N -1.54 0.46 0.06 -0.62 -1.05 -1.26 0.78 118.70 115.52 1h2o s GLU 6 Ca 0.15 -0.69 0.07 0.00 -0.15 0.00 0.00 54.97 54.35 1h2o s GLU 6 Cb -0.11 0.17 -0.03 0.00 -0.44 0.00 0.00 34.13 33.73 1h2o s GLU 6 CO 0.06 -0.10 -0.19 -1.12 0.95 0.00 0.00 175.26 174.87 1h2o s SER 7 N -1.82 2.22 -0.10 0.83 0.01 0.35 -4.95 113.70 110.24 1h2o s SER 7 Ca -0.10 -0.54 0.03 0.00 1.31 0.00 0.00 55.95 56.65 1h2o s SER 7 Cb -0.05 -0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.03 1h2o s SER 7 CO -0.03 0.09 -0.22 -1.61 0.41 0.00 0.00 173.24 171.89 1h2o s GLU 8 N -1.35 2.81 0.20 12.44 2.02 -1.26 -0.62 118.70 132.95 1h2o s GLU 8 Ca 0.05 -0.79 -0.01 0.00 0.02 0.00 0.00 54.97 54.23 1h2o s GLU 8 Cb -0.09 -2.17 0.01 0.00 0.10 0.00 0.00 34.13 31.98 1h2o s GLU 8 CO 0.02 0.12 0.29 1.97 0.02 0.00 0.00 175.26 177.68 1h2o n PHE 9 N 3.68 -1.06 -4.26 1.61 -1.74 -0.22 -5.00 117.46 110.47 1h2o n PHE 9 Ca -0.20 -1.35 -0.18 0.00 -0.56 0.00 0.00 57.45 55.16 1h2o n PHE 9 Cb 0.53 0.33 -0.08 0.00 1.52 0.00 0.00 39.48 41.77 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 -2.65 0.00 0.13 1.97 -4.23 -1.26 0.11 115.64 109.72 1h2o s THR 10 Ca 0.16 -1.98 -0.22 0.00 -1.18 0.00 0.00 61.69 58.48 1h2o s THR 10 Cb -0.01 -2.51 0.06 0.00 1.34 0.00 0.00 72.50 71.39 1h2o s THR 10 CO 0.12 0.00 0.55 -0.55 -0.54 0.00 0.00 174.62 174.20 1h2o s SER 11 N -3.34 -0.48 0.17 3.99 0.15 0.98 -4.86 113.70 110.32 1h2o s SER 11 Ca 0.40 -0.02 0.25 0.00 0.70 0.00 0.00 55.95 57.27 1h2o s SER 11 Cb 0.03 0.56 0.47 0.00 -1.71 0.00 0.00 66.02 65.37 1h2o s SER 11 CO 0.25 -0.90 1.46 -0.33 1.20 0.00 0.00 173.24 174.93 1h2o h GLU 12 N 2.21 0.00 -6.91 5.44 5.08 -1.92 1.58 114.58 120.06 1h2o h GLU 12 Ca -0.33 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.56 1h2o h GLU 12 Cb 1.28 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 1h2o h GLU 12 CO 0.40 0.00 0.24 0.42 -1.00 0.00 0.00 179.01 179.07 1h2o s ILE 13 N -3.16 4.50 0.47 3.13 -1.09 -1.26 -4.64 121.20 119.15 1h2o s ILE 13 Ca 0.07 1.28 -0.23 0.00 -2.23 0.00 0.00 60.65 59.54 1h2o s ILE 13 Cb 0.12 -3.62 -0.07 0.00 -1.58 0.00 0.00 42.46 37.31 1h2o s ILE 13 CO 0.68 -0.24 1.23 -2.16 -1.23 0.00 0.00 174.94 173.23 1h2o s PRO 14 N -3.04 3.66 0.26 2.79 0.04 -1.26 -3.86 135.00 133.60 1h2o s PRO 14 Ca 0.58 1.95 0.06 0.00 0.04 0.00 0.00 61.00 63.64 1h2o s PRO 14 Cb -0.10 -2.45 0.32 0.00 0.04 0.00 0.00 34.50 32.32 1h2o s PRO 14 CO 0.15 -0.68 1.60 -1.00 0.04 0.00 0.00 177.00 177.12 1h2o h PRO 15 N 2.05 0.17 0.00 0.56 0.13 -1.94 -2.67 132.00 130.30 1h2o h PRO 15 Ca -0.50 -0.11 -0.02 0.00 -0.87 0.00 0.00 66.00 64.50 1h2o h PRO 15 Cb 1.26 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 1h2o h PRO 15 CO 0.60 0.69 -0.10 -1.00 -0.23 0.00 0.00 178.00 177.97 1h2o h PRO 16 N 0.13 0.00 0.14 1.56 0.13 -1.97 0.94 132.00 132.94 1h2o h PRO 16 Ca -0.00 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.84 1h2o h PRO 16 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1h2o h PRO 16 CO 0.08 0.10 -1.43 0.00 -0.23 0.00 0.00 178.00 176.52 1h2o h ARG 17 N 0.00 0.29 -0.05 0.86 3.08 -1.89 -2.75 114.38 113.92 1h2o h ARG 17 Ca -0.00 -0.50 -0.17 0.00 0.07 0.00 0.00 59.98 59.38 1h2o h ARG 17 Cb 0.49 0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 1h2o h ARG 17 CO 0.01 1.24 -0.73 1.25 -1.07 0.00 0.00 179.97 180.67 1h2o h LEU 18 N -0.21 0.32 0.41 3.04 6.46 -1.26 -2.63 115.31 121.44 1h2o h LEU 18 Ca -0.30 -0.22 -0.02 0.00 -0.12 0.00 0.00 57.88 57.23 1h2o h LEU 18 Cb 1.83 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 41.67 1h2o h LEU 18 CO 0.10 0.94 -0.19 0.15 -0.62 0.00 0.00 178.44 178.82 1h2o h PHE 19 N 0.18 -0.50 -1.00 1.25 3.57 0.81 0.44 116.94 121.69 1h2o h PHE 19 Ca -0.03 -0.01 0.18 0.00 3.53 0.00 0.00 57.97 61.64 1h2o h PHE 19 Cb 1.30 0.17 -0.10 0.00 2.79 0.00 0.00 35.95 40.10 1h2o h PHE 19 CO 0.03 -0.19 0.60 0.87 -2.23 0.00 0.00 178.31 177.40 1h2o h LYS 20 N -0.83 0.77 -0.11 1.11 1.57 -1.53 0.66 116.57 118.22 1h2o h LYS 20 Ca -0.06 -0.05 -0.22 0.00 -1.87 0.00 0.00 60.65 58.45 1h2o h LYS 20 Cb 0.54 -0.17 0.01 0.00 0.08 0.00 0.00 32.23 32.69 1h2o h LYS 20 CO 0.09 0.51 -0.82 0.00 -0.57 0.00 0.00 179.45 178.66 1h2o h ALA 21 N 1.62 0.34 -0.03 3.86 0.00 -1.25 2.27 119.26 126.08 1h2o h ALA 21 Ca 0.56 -0.62 -0.23 0.00 0.00 0.00 0.00 54.91 54.62 1h2o h ALA 21 Cb 0.82 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.60 1h2o h ALA 21 CO -0.36 0.71 -0.91 0.35 0.00 0.00 0.00 179.25 179.03 1h2o h PHE 22 N 0.45 0.73 0.00 0.00 3.57 0.14 -0.66 116.94 121.17 1h2o h PHE 22 Ca -0.06 -0.38 -0.04 0.00 3.53 0.00 0.00 57.97 61.02 1h2o h PHE 22 Cb 1.44 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 40.09 1h2o h PHE 22 CO 0.08 1.19 -0.83 0.28 -2.23 0.00 0.00 178.31 176.80 1h2o n VAL 23 N -3.80 1.34 1.51 1.41 0.31 0.22 -3.98 118.33 115.33 1h2o n VAL 23 Ca -0.07 0.17 0.13 0.00 -0.01 0.00 0.00 64.34 64.56 1h2o n VAL 23 Cb 0.81 -2.03 0.74 0.00 -0.91 0.00 0.00 33.84 32.45 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 -4.07 0.00 -2.69 7.52 4.32 0.55 -3.89 117.00 118.74 1h2o n LEU 24 Ca -0.13 0.09 -0.07 0.00 -0.02 0.00 0.00 56.01 55.88 1h2o n LEU 24 Cb 0.39 -0.09 0.10 0.00 -1.62 0.00 0.00 43.42 42.20 1h2o n LEU 24 CO 0.12 -0.02 0.36 0.47 -1.22 0.00 0.00 177.39 177.10 1h2o n ASP 25 N -1.09 -1.04 0.01 -1.43 8.00 0.74 -4.84 116.55 116.89 1h2o n ASP 25 Ca 0.17 -2.51 -0.07 0.00 0.71 0.00 0.00 54.79 53.09 1h2o n ASP 25 Cb 0.13 0.61 -0.13 0.00 -0.02 0.00 0.00 41.12 41.71 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 2.21 0.66 0.00 2.24 0.00 -1.23 -2.90 119.26 120.25 1h2o h ALA 26 Ca -0.24 -1.26 0.00 0.00 0.00 0.00 0.00 54.91 53.40 1h2o h ALA 26 Cb 1.27 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1h2o h ALA 26 CO 0.07 1.44 0.00 -0.44 0.00 0.00 0.00 179.25 180.31 1h2o h ASP 27 N 0.00 0.00 0.00 0.00 3.32 -1.89 -2.19 116.42 115.66 1h2o h ASP 27 Ca -0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.85 1h2o h ASP 27 Cb 1.91 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.46 1h2o h ASP 27 CO 0.09 0.00 -0.02 -0.46 -1.72 0.00 0.00 179.24 177.13 1h2o n ASN 28 N -2.77 1.43 -0.11 6.45 0.23 -1.25 -4.56 115.26 114.69 1h2o n ASN 28 Ca -0.02 -1.86 -0.20 0.00 -0.53 0.00 0.00 54.58 51.97 1h2o n ASN 28 Cb 0.10 -0.05 -0.07 0.00 -2.08 0.00 0.00 39.78 37.67 1h2o n ASN 28 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1h2o n LEU 29 N -0.45 1.92 -0.06 -4.53 7.99 -0.83 -3.95 117.00 117.10 1h2o n LEU 29 Ca 0.02 0.38 -0.15 0.00 -0.01 0.00 0.00 56.01 56.24 1h2o n LEU 29 Cb 0.38 -0.82 -0.06 0.00 -0.11 0.00 0.00 43.42 42.80 1h2o n LEU 29 CO 0.00 0.19 0.42 0.58 -1.51 0.00 0.00 177.39 177.07 1h2o h VAL 30 N -1.00 1.30 0.00 4.08 2.07 -1.84 0.14 116.25 121.00 1h2o h VAL 30 Ca -0.38 -1.73 0.00 0.00 0.82 0.00 0.00 66.70 65.41 1h2o h VAL 30 Cb 1.29 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.87 1h2o h VAL 30 CO -0.23 0.55 0.00 -0.81 0.02 0.00 0.00 177.57 177.10 1h2o n PRO 31 N -4.11 0.84 0.00 1.57 -0.04 -1.26 -1.91 135.00 130.09 1h2o n PRO 31 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1h2o n PRO 31 Cb 0.61 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.94 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 -0.63 1.16 0.09 0.54 4.76 -1.11 -4.58 118.16 118.40 1h2o n LYS 32 Ca 0.05 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.35 1h2o n LYS 32 Cb 0.02 -0.82 -0.13 0.00 -1.84 0.00 0.00 35.03 32.26 1h2o n LYS 32 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1h2o h ILE 33 N 0.00 1.55 -1.85 -0.18 2.04 -0.77 -3.42 117.51 114.88 1h2o h ILE 33 Ca 0.00 -3.15 -0.33 0.00 1.00 0.00 0.00 64.86 62.38 1h2o h ILE 33 Cb 0.64 2.92 -0.30 0.00 -0.74 0.00 0.00 36.82 39.34 1h2o h ILE 33 CO 0.00 0.91 -0.65 0.00 0.00 0.00 0.00 178.15 178.41 1h2o s ALA 34 N -2.67 -0.66 -2.00 1.87 0.00 -0.80 -4.97 121.76 112.52 1h2o s ALA 34 Ca -0.03 -0.77 0.18 0.00 0.00 0.00 0.00 51.96 51.34 1h2o s ALA 34 Cb 0.08 -2.11 1.05 0.00 0.00 0.00 0.00 23.12 22.13 1h2o s ALA 34 CO 0.87 -2.11 1.49 -0.35 0.00 0.00 0.00 175.76 175.66 1h2o n PRO 35 N 4.37 0.69 0.07 0.00 -0.04 -1.26 -2.71 135.00 136.13 1h2o n PRO 35 Ca 0.10 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.68 1h2o n PRO 35 Cb 0.47 -1.40 0.19 0.00 -0.04 0.00 0.00 33.50 32.72 1h2o n PRO 35 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1h2o h GLN 36 N 0.00 0.00 0.00 0.54 4.20 -1.93 -3.38 115.11 114.53 1h2o h GLN 36 Ca 0.00 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.45 1h2o h GLN 36 Cb 0.00 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 1h2o h GLN 36 CO 0.00 0.00 -1.93 0.00 -0.67 0.00 0.00 178.83 176.23 1h2o n ALA 37 N -1.84 1.75 -2.54 3.87 0.00 -1.10 -4.69 120.51 115.95 1h2o n ALA 37 Ca 0.03 -0.69 -0.23 0.00 0.00 0.00 0.00 53.44 52.55 1h2o n ALA 37 Cb 0.45 0.19 -0.15 0.00 0.00 0.00 0.00 19.45 19.94 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 -2.32 1.33 -0.00 0.00 1.01 -1.21 -4.07 121.20 115.94 1h2o s ILE 38 Ca -0.23 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.55 1h2o s ILE 38 Cb 0.07 -1.14 -0.01 0.00 0.01 0.00 0.00 42.46 41.40 1h2o s ILE 38 CO 0.34 0.25 0.01 1.17 0.00 0.00 0.00 174.94 176.71 1h2o n LYS 39 N 2.32 0.43 -3.66 2.79 3.00 -0.12 -4.32 118.16 118.60 1h2o n LYS 39 Ca -0.16 -0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.01 1h2o n LYS 39 Cb 0.54 -1.01 -0.07 0.00 0.00 0.00 0.00 35.03 34.49 1h2o n LYS 39 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 1h2o s HIS 40 N -2.03 -0.32 -0.19 5.64 5.04 -1.17 -4.96 115.29 117.30 1h2o s HIS 40 Ca -0.00 0.41 -0.06 0.00 -1.54 0.00 0.00 55.06 53.87 1h2o s HIS 40 Cb 0.00 0.22 0.09 0.00 0.04 0.00 0.00 32.58 32.94 1h2o s HIS 40 CO 0.02 -0.53 0.38 -1.12 -2.34 0.00 0.00 174.74 171.15 1h2o s SER 41 N -1.66 -0.05 -0.20 9.88 0.01 -1.26 -0.21 113.70 120.21 1h2o s SER 41 Ca -0.09 0.79 -0.03 0.00 1.31 0.00 0.00 55.95 57.93 1h2o s SER 41 Cb -0.02 1.19 0.06 0.00 0.21 0.00 0.00 66.02 67.46 1h2o s SER 41 CO 0.02 -0.24 0.04 -0.70 0.41 0.00 0.00 173.24 172.76 1h2o s GLU 42 N 2.57 0.71 0.29 12.44 2.12 -1.17 -4.87 118.70 130.77 1h2o s GLU 42 Ca 0.01 -0.50 -0.30 0.00 0.36 0.00 0.00 54.97 54.55 1h2o s GLU 42 Cb -0.13 -2.12 -0.13 0.00 0.26 0.00 0.00 34.13 32.01 1h2o s GLU 42 CO -0.12 -0.66 1.29 -0.89 -0.54 0.00 0.00 175.26 174.33 1h2o n ILE 43 N 5.02 1.52 -0.06 -3.70 5.41 -1.26 -2.70 119.36 123.58 1h2o n ILE 43 Ca -0.09 -0.38 -0.07 0.00 1.00 0.00 0.00 62.75 63.22 1h2o n ILE 43 Cb 0.47 -1.42 -0.10 0.00 -0.71 0.00 0.00 39.64 37.87 1h2o n ILE 43 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1h2o n LEU 44 N 1.45 0.03 -4.46 1.39 7.94 0.57 -4.85 117.00 119.07 1h2o n LEU 44 Ca 0.09 -0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.76 1h2o n LEU 44 Cb 0.33 0.31 -0.10 0.00 0.53 0.00 0.00 43.42 44.49 1h2o n LEU 44 CO 0.62 0.33 -0.37 0.26 -1.11 0.00 0.00 177.39 177.11 1h2o s TRP 45 N -2.32 2.07 0.00 1.96 0.52 -0.76 -4.85 118.94 115.57 1h2o s TRP 45 Ca -0.07 -0.64 0.00 0.00 0.02 0.00 0.00 56.10 55.42 1h2o s TRP 45 Cb 0.04 -1.18 0.00 0.00 -1.15 0.00 0.00 33.47 31.18 1h2o s TRP 45 CO 0.53 0.37 0.00 0.41 0.02 0.00 0.00 176.95 178.29 1h2o n GLY 46 N -0.64 1.59 0.77 0.98 0.00 -1.26 -3.30 105.19 103.34 1h2o n GLY 46 Ca -0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 46.02 45.72 1h2o n GLY 46 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1h2o n ASP 47 N -1.17 -0.18 0.00 1.61 2.03 -1.26 -4.95 116.55 112.62 1h2o n ASP 47 Ca 0.00 -1.59 0.00 0.00 0.52 0.00 0.00 54.79 53.72 1h2o n ASP 47 Cb 0.00 0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.42 1h2o n ASP 47 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1h2o n GLY 48 N 0.06 2.06 1.60 0.27 0.00 -1.26 -5.10 105.19 102.82 1h2o n GLY 48 Ca -0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.80 3.70 -0.02 0.00 -1.26 -4.86 105.19 99.96 1h2o n GLY 49 Ca 0.00 -1.44 -0.42 0.00 0.00 0.00 0.00 46.02 44.16 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 -4.12 4.39 0.00 1.61 0.04 -1.26 -2.69 135.00 132.97 1h2o s PRO 50 Ca 0.33 1.79 0.00 0.00 0.04 0.00 0.00 61.00 63.16 1h2o s PRO 50 Cb -0.04 -3.42 0.00 0.00 0.04 0.00 0.00 34.50 31.09 1h2o s PRO 50 CO 0.25 -0.35 0.00 0.41 0.04 0.00 0.00 177.00 177.35 1h2o n GLY 51 N 3.32 1.19 3.71 0.56 0.00 0.72 -4.96 105.19 109.72 1h2o n GLY 51 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1h2o n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h2o s THR 52 N -2.27 2.70 -0.11 2.61 2.01 -1.10 -4.71 115.64 114.78 1h2o s THR 52 Ca 0.00 0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.23 1h2o s THR 52 Cb 0.00 -2.55 0.02 0.00 0.01 0.00 0.00 72.50 69.98 1h2o s THR 52 CO 0.00 -0.30 -0.09 -0.63 -0.69 0.00 0.00 174.62 172.91 1h2o s ILE 53 N -2.81 1.13 -0.13 1.82 1.01 -1.21 -0.46 121.20 120.56 1h2o s ILE 53 Ca 0.64 -0.38 -0.03 0.00 0.00 0.00 0.00 60.65 60.88 1h2o s ILE 53 Cb -0.19 -1.12 -0.03 0.00 0.01 0.00 0.00 42.46 41.13 1h2o s ILE 53 CO 0.57 0.38 -0.01 -0.54 0.00 0.00 0.00 174.94 175.34 1h2o s LYS 54 N 1.50 3.40 -0.73 2.79 1.02 0.30 0.21 119.74 128.24 1h2o s LYS 54 Ca 0.02 -0.46 -0.09 0.00 0.02 0.00 0.00 55.97 55.46 1h2o s LYS 54 Cb -0.13 -2.88 0.19 0.00 -0.52 0.00 0.00 37.83 34.49 1h2o s LYS 54 CO -0.07 0.44 0.62 0.21 -0.92 0.00 0.00 175.35 175.63 1h2o s LYS 55 N -0.16 3.13 0.35 1.68 2.47 -1.10 0.97 119.74 127.08 1h2o s LYS 55 Ca 0.04 -2.49 -0.25 0.00 -1.56 0.00 0.00 55.97 51.71 1h2o s LYS 55 Cb -0.13 -4.11 -0.10 0.00 -1.46 0.00 0.00 37.83 32.03 1h2o s LYS 55 CO 0.02 -1.24 0.95 0.42 0.16 0.00 0.00 175.35 175.66 1h2o s ILE 56 N 0.07 4.25 0.05 5.43 1.01 -0.20 -3.06 121.20 128.74 1h2o s ILE 56 Ca 0.17 1.75 0.08 0.00 0.00 0.00 0.00 60.65 62.65 1h2o s ILE 56 Cb -0.15 -3.92 -0.03 0.00 0.01 0.00 0.00 42.46 38.38 1h2o s ILE 56 CO -0.06 0.04 -0.23 0.42 0.00 0.00 0.00 174.94 175.10 1h2o s THR 57 N -1.74 1.88 0.42 2.92 -4.23 0.71 0.72 115.64 116.31 1h2o s THR 57 Ca 0.53 -1.30 0.07 0.00 -1.18 0.00 0.00 61.69 59.81 1h2o s THR 57 Cb -0.16 -1.63 -0.05 0.00 1.34 0.00 0.00 72.50 72.00 1h2o s THR 57 CO 0.21 0.27 0.20 -0.36 -0.54 0.00 0.00 174.62 174.40 1h2o s PHE 58 N -0.81 2.59 0.42 3.99 0.08 0.91 -0.94 117.98 124.22 1h2o s PHE 58 Ca 0.09 -0.59 0.00 0.00 0.12 0.00 0.00 56.93 56.56 1h2o s PHE 58 Cb -0.09 -1.98 0.00 0.00 -0.57 0.00 0.00 43.02 40.38 1h2o s PHE 58 CO 0.02 0.14 0.00 0.41 -0.10 0.00 0.00 175.22 175.69 1h2o n GLY 59 N -1.28 -2.29 0.18 4.36 0.00 -1.26 -4.17 105.19 100.74 1h2o n GLY 59 Ca -0.01 -1.07 0.05 0.00 0.00 0.00 0.00 46.02 45.00 1h2o n GLY 59 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1h2o h GLU 60 N -1.37 0.00 0.00 1.61 5.08 -1.93 -3.37 114.58 114.61 1h2o h GLU 60 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1h2o h GLU 60 Cb 1.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 1h2o h GLU 60 CO 0.03 0.38 0.00 0.41 -1.00 0.00 0.00 179.01 178.84 1h2o n GLY 61 N 0.32 0.99 0.33 -3.84 0.00 -1.26 -5.00 105.19 96.74 1h2o n GLY 61 Ca -0.00 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.23 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 0.14 -1.73 1.61 0.02 -1.91 -3.41 113.55 108.26 1h2o h SER 62 Ca 0.00 0.23 -0.61 0.00 -0.84 0.00 0.00 61.79 60.57 1h2o h SER 62 Cb 0.00 0.27 -0.13 0.00 0.14 0.00 0.00 62.40 62.68 1h2o h SER 62 CO 0.00 -0.26 -0.54 0.00 -1.14 0.00 0.00 176.83 174.89 1h2o s GLN 63 N -5.76 2.02 -0.40 3.45 -2.07 -1.26 -5.10 119.66 110.53 1h2o s GLN 63 Ca -0.11 -2.24 -0.22 0.00 -1.82 0.00 0.00 55.36 50.97 1h2o s GLN 63 Cb 0.30 -1.18 0.02 0.00 -1.09 0.00 0.00 33.01 31.05 1h2o s GLN 63 CO 0.78 -0.33 0.75 -0.47 -1.32 0.00 0.00 175.29 174.69 1h2o s TYR 64 N -3.00 3.07 -0.40 9.60 5.04 -1.26 -4.91 117.35 125.49 1h2o s TYR 64 Ca 0.19 0.32 0.10 0.00 -2.44 0.00 0.00 57.07 55.24 1h2o s TYR 64 Cb 0.04 -3.45 0.33 0.00 0.35 0.00 0.00 41.96 39.23 1h2o s TYR 64 CO 0.10 -0.82 0.82 0.41 -1.34 0.00 0.00 175.55 174.72 1h2o n GLY 65 N 4.77 2.67 3.46 8.97 0.00 -1.26 -4.95 105.19 118.84 1h2o n GLY 65 Ca 0.02 -1.18 -0.22 0.00 0.00 0.00 0.00 46.02 44.63 1h2o n GLY 65 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1h2o s TYR 66 N -1.55 2.04 0.23 1.61 -0.85 -1.26 0.31 117.35 117.89 1h2o s TYR 66 Ca 0.35 -0.73 0.00 0.00 -0.52 0.00 0.00 57.07 56.18 1h2o s TYR 66 Cb 0.32 -1.23 -0.04 0.00 0.38 0.00 0.00 41.96 41.40 1h2o s TYR 66 CO -0.08 0.27 0.18 0.14 -1.52 0.00 0.00 175.55 174.55 1h2o s VAL 67 N -3.00 0.00 -0.17 -3.49 -7.23 0.22 -4.20 120.40 102.53 1h2o s VAL 67 Ca 0.31 -1.97 0.01 0.00 -1.81 0.00 0.00 61.98 58.52 1h2o s VAL 67 Cb 0.05 -2.49 0.02 0.00 0.56 0.00 0.00 36.38 34.52 1h2o s VAL 67 CO 0.13 0.00 -0.19 -0.75 -0.31 0.00 0.00 175.10 173.98 1h2o s LYS 68 N -3.97 2.88 -0.23 4.82 2.47 -1.22 -1.04 119.74 123.45 1h2o s LYS 68 Ca 0.39 -0.79 -0.05 0.00 -1.56 0.00 0.00 55.97 53.96 1h2o s LYS 68 Cb 0.06 -2.48 -0.01 0.00 -1.46 0.00 0.00 37.83 33.93 1h2o s LYS 68 CO 0.16 -0.20 -0.01 -1.01 0.16 0.00 0.00 175.35 174.45 1h2o s HIS 69 N 1.28 3.01 -0.59 4.03 3.76 0.27 -2.39 115.29 124.66 1h2o s HIS 69 Ca 0.04 -0.85 -0.18 0.00 -0.15 0.00 0.00 55.06 53.93 1h2o s HIS 69 Cb -0.13 -2.15 0.12 0.00 1.11 0.00 0.00 32.58 31.53 1h2o s HIS 69 CO -0.12 -0.51 0.64 0.21 -0.85 0.00 0.00 174.74 174.11 1h2o s LYS 70 N 1.51 3.06 0.14 1.40 2.20 0.22 0.11 119.74 128.37 1h2o s LYS 70 Ca 0.05 -1.51 -0.33 0.00 -0.36 0.00 0.00 55.97 53.83 1h2o s LYS 70 Cb -0.15 -4.30 -0.17 0.00 -1.51 0.00 0.00 37.83 31.70 1h2o s LYS 70 CO -0.01 -1.46 0.85 -0.89 -0.36 0.00 0.00 175.35 173.47 1h2o n ILE 71 N 5.38 1.18 -0.10 5.43 2.08 0.40 -0.41 119.36 133.32 1h2o n ILE 71 Ca -0.09 -0.30 -0.14 0.00 0.56 0.00 0.00 62.75 62.78 1h2o n ILE 71 Cb 0.42 -0.24 -0.10 0.00 -0.75 0.00 0.00 39.64 38.97 1h2o n ILE 71 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1h2o n ASP 72 N 1.81 2.38 -3.63 4.38 8.00 0.26 -0.20 116.55 129.55 1h2o n ASP 72 Ca 0.17 -0.11 -0.01 0.00 0.71 0.00 0.00 54.79 55.56 1h2o n ASP 72 Cb 0.20 -0.30 -0.02 0.00 -0.02 0.00 0.00 41.12 40.98 1h2o n ASP 72 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1h2o s SER 73 N -5.97 -0.02 0.03 -2.24 0.01 -0.52 -4.58 113.70 100.41 1h2o s SER 73 Ca -0.27 -0.00 -0.06 0.00 1.31 0.00 0.00 55.95 56.92 1h2o s SER 73 Cb 0.07 0.02 -0.01 0.00 0.21 0.00 0.00 66.02 66.31 1h2o s SER 73 CO 0.48 -0.03 0.11 -0.63 0.41 0.00 0.00 173.24 173.57 1h2o s ILE 74 N -2.06 0.12 -0.49 1.44 1.09 -1.26 -1.79 121.20 118.25 1h2o s ILE 74 Ca 0.12 -0.96 0.05 0.00 -1.10 0.00 0.00 60.65 58.76 1h2o s ILE 74 Cb 0.01 -0.73 0.18 0.00 -1.06 0.00 0.00 42.46 40.86 1h2o s ILE 74 CO -0.03 -0.53 0.41 0.47 -0.10 0.00 0.00 174.94 175.16 1h2o n ASP 75 N 1.00 0.56 0.19 3.58 8.00 -0.61 -4.93 116.55 124.34 1h2o n ASP 75 Ca -0.20 -2.64 0.13 0.00 0.71 0.00 0.00 54.79 52.78 1h2o n ASP 75 Cb 0.57 -0.61 0.68 0.00 -0.02 0.00 0.00 41.12 41.74 1h2o n ASP 75 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1h2o h LYS 76 N 5.33 0.00 0.06 -1.24 3.64 -1.96 1.73 116.57 124.13 1h2o h LYS 76 Ca 0.22 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.25 1h2o h LYS 76 Cb 0.86 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.64 1h2o h LYS 76 CO 0.48 0.00 -2.01 0.39 -2.27 0.00 0.00 179.45 176.04 1h2o n GLU 77 N -2.41 0.70 0.00 1.90 1.02 -1.26 -4.10 120.64 116.49 1h2o n GLU 77 Ca -0.01 0.23 0.12 0.00 -0.02 0.00 0.00 57.16 57.48 1h2o n GLU 77 Cb 0.07 -1.69 0.12 0.00 -0.02 0.00 0.00 31.44 29.92 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 -3.25 1.60 -3.11 1.62 3.02 -0.69 -4.98 115.26 109.47 1h2o n ASN 78 Ca -0.29 -1.25 -0.14 0.00 -0.03 0.00 0.00 54.58 52.87 1h2o n ASN 78 Cb 1.05 0.39 0.07 0.00 -0.61 0.00 0.00 39.78 40.68 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 -0.35 -2.11 -4.23 3.10 4.01 0.58 -4.42 117.16 113.74 1h2o n TYR 79 Ca 0.10 0.80 -0.14 0.00 -0.16 0.00 0.00 57.90 58.50 1h2o n TYR 79 Cb 0.42 -4.29 -0.10 0.00 -0.31 0.00 0.00 39.34 35.06 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 -3.70 1.66 -0.04 7.72 0.01 -0.92 0.23 113.70 118.67 1h2o s SER 80 Ca 0.25 -0.98 -0.09 0.00 1.31 0.00 0.00 55.95 56.43 1h2o s SER 80 Cb -0.03 0.01 0.01 0.00 0.21 0.00 0.00 66.02 66.22 1h2o s SER 80 CO 0.66 -0.33 0.22 -0.47 0.41 0.00 0.00 173.24 173.72 1h2o s TYR 81 N -3.20 -0.13 -0.18 2.43 5.04 0.27 -1.58 117.35 120.00 1h2o s TYR 81 Ca 0.14 0.26 -0.16 0.00 -2.44 0.00 0.00 57.07 54.87 1h2o s TYR 81 Cb 0.02 0.04 0.05 0.00 0.35 0.00 0.00 41.96 42.42 1h2o s TYR 81 CO -0.00 -0.25 0.48 0.45 -1.34 0.00 0.00 175.55 174.89 1h2o s SER 82 N -0.79 -0.53 0.29 4.32 0.15 -0.74 0.23 113.70 116.63 1h2o s SER 82 Ca -0.09 0.99 -0.09 0.00 0.70 0.00 0.00 55.95 57.46 1h2o s SER 82 Cb -0.05 0.98 0.00 0.00 -1.71 0.00 0.00 66.02 65.24 1h2o s SER 82 CO 0.02 -0.18 0.49 -0.72 1.20 0.00 0.00 173.24 174.05 1h2o s TYR 83 N 0.48 0.59 -0.07 3.44 1.13 -0.12 0.89 117.35 123.69 1h2o s TYR 83 Ca -0.02 -0.94 0.03 0.00 -1.41 0.00 0.00 57.07 54.74 1h2o s TYR 83 Cb -0.04 0.13 0.00 0.00 -1.10 0.00 0.00 41.96 40.95 1h2o s TYR 83 CO -0.02 -1.08 -0.18 0.99 -2.51 0.00 0.00 175.55 172.75 1h2o s THR 84 N -3.57 1.54 -0.21 -3.49 2.01 0.46 -0.36 115.64 112.02 1h2o s THR 84 Ca 0.25 -0.73 -0.10 0.00 0.31 0.00 0.00 61.69 61.42 1h2o s THR 84 Cb -0.01 -1.35 -0.05 0.00 0.01 0.00 0.00 72.50 71.10 1h2o s THR 84 CO 0.13 0.44 0.13 -0.22 -0.69 0.00 0.00 174.62 174.42 1h2o s LEU 85 N 0.37 4.18 -0.00 4.42 2.96 -0.31 0.69 118.68 130.99 1h2o s LEU 85 Ca -0.13 0.20 0.05 0.00 -0.22 0.00 0.00 54.13 54.04 1h2o s LEU 85 Cb -0.15 -2.09 -0.06 0.00 0.50 0.00 0.00 46.19 44.38 1h2o s LEU 85 CO 0.05 0.16 0.18 2.30 -1.32 0.00 0.00 176.35 177.72 1h2o n ILE 86 N 3.66 0.00 -4.26 6.68 -5.35 -1.00 -1.15 119.36 117.94 1h2o n ILE 86 Ca -0.16 -0.29 -0.19 0.00 -0.27 0.00 0.00 62.75 61.85 1h2o n ILE 86 Cb 0.52 0.78 -0.11 0.00 -1.74 0.00 0.00 39.64 39.09 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 -1.79 1.06 0.00 6.28 2.12 -1.25 -4.93 118.70 120.19 1h2o s GLU 87 Ca 0.01 -1.26 0.00 0.00 0.36 0.00 0.00 54.97 54.07 1h2o s GLU 87 Cb 0.04 -0.97 0.00 0.00 0.26 0.00 0.00 34.13 33.45 1h2o s GLU 87 CO 0.21 0.19 0.00 0.41 -0.54 0.00 0.00 175.26 175.53 1h2o n GLY 88 N 0.51 3.39 0.03 -1.50 0.00 -1.26 -3.41 105.19 102.95 1h2o n GLY 88 Ca -0.15 -0.11 0.05 0.00 0.00 0.00 0.00 46.02 45.80 1h2o n GLY 88 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1h2o n ASP 89 N 0.00 0.11 0.13 1.61 8.00 -1.26 -1.44 116.55 123.70 1h2o n ASP 89 Ca 0.00 0.54 0.12 0.00 0.71 0.00 0.00 54.79 56.16 1h2o n ASP 89 Cb 0.00 -0.56 0.20 0.00 -0.02 0.00 0.00 41.12 40.74 1h2o n ASP 89 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h2o h ALA 90 N 2.22 0.80 0.00 2.24 0.00 -1.95 -3.24 119.26 119.34 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 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 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 -1.61 -3.48 115.31 113.60 1h2o h LEU 91 Ca 0.00 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.10 1h2o h LEU 91 Cb 0.87 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 1h2o h LEU 91 CO 0.00 0.00 -0.18 0.61 0.09 0.00 0.00 178.44 178.96 1h2o n GLY 92 N -0.10 -0.75 0.40 0.83 0.00 -1.23 -1.31 105.19 103.03 1h2o n GLY 92 Ca 0.00 -0.50 0.02 0.00 0.00 0.00 0.00 46.02 45.54 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 -4.18 1.09 -0.11 1.61 5.75 -1.26 -3.70 116.55 115.75 1h2o n ASP 93 Ca 0.00 -2.04 -0.14 0.00 -0.01 0.00 0.00 54.79 52.60 1h2o n ASP 93 Cb 0.22 -0.19 -0.11 0.00 -1.03 0.00 0.00 41.12 40.01 1h2o n ASP 93 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1h2o n THR 94 N 0.01 1.26 -3.01 2.12 -2.24 -1.22 -4.90 114.28 106.29 1h2o n THR 94 Ca 0.06 -0.53 -0.21 0.00 -2.27 0.00 0.00 64.05 61.09 1h2o n THR 94 Cb 0.20 -1.15 0.01 0.00 -2.10 0.00 0.00 70.33 67.29 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 -6.12 3.64 0.00 3.22 1.43 -0.43 -2.38 118.68 118.04 1h2o s LEU 95 Ca -0.26 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 1h2o s LEU 95 Cb 0.07 -2.97 0.00 0.00 0.03 0.00 0.00 46.19 43.32 1h2o s LEU 95 CO 0.55 -0.74 0.00 -0.62 0.23 0.00 0.00 176.35 175.77 1h2o n GLU 96 N -2.03 0.00 -2.73 1.70 1.02 0.06 -4.74 120.64 113.92 1h2o n GLU 96 Ca 0.03 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.75 1h2o n GLU 96 Cb 0.58 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.97 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 4.56 -0.02 3.49 1.02 -1.23 -4.68 119.74 122.87 1h2o s LYS 97 Ca 0.00 1.39 0.07 0.00 0.02 0.00 0.00 55.97 57.45 1h2o s LYS 97 Cb 0.00 -3.46 -0.02 0.00 -0.52 0.00 0.00 37.83 33.83 1h2o s LYS 97 CO 0.00 -0.04 -0.22 0.42 -0.92 0.00 0.00 175.35 174.59 1h2o s ILE 98 N 0.98 2.41 -0.10 2.17 -1.09 -0.30 -0.06 121.20 125.20 1h2o s ILE 98 Ca 0.51 -1.02 0.03 0.00 -2.23 0.00 0.00 60.65 57.95 1h2o s ILE 98 Cb -0.21 -1.89 0.00 0.00 -1.58 0.00 0.00 42.46 38.79 1h2o s ILE 98 CO 0.27 0.55 -0.21 -0.44 -1.23 0.00 0.00 174.94 173.88 1h2o s SER 99 N -0.74 2.88 -0.05 3.58 0.01 0.01 -1.16 113.70 118.23 1h2o s SER 99 Ca 0.11 -0.53 0.05 0.00 1.31 0.00 0.00 55.95 56.89 1h2o s SER 99 Cb -0.10 -1.32 -0.01 0.00 0.21 0.00 0.00 66.02 64.80 1h2o s SER 99 CO 0.00 0.12 -0.20 -0.31 0.41 0.00 0.00 173.24 173.25 1h2o s TYR 100 N 0.53 2.01 0.00 2.43 2.02 0.52 0.07 117.35 124.93 1h2o s TYR 100 Ca -0.15 -0.60 0.03 0.00 -0.37 0.00 0.00 57.07 55.98 1h2o s TYR 100 Cb -0.17 -1.34 -0.01 0.00 -0.40 0.00 0.00 41.96 40.04 1h2o s TYR 100 CO 0.05 -0.20 -0.09 -1.21 -1.57 0.00 0.00 175.55 172.54 1h2o s GLU 101 N -0.01 0.67 0.01 -0.62 2.02 0.23 -0.95 118.70 120.05 1h2o s GLU 101 Ca -0.05 -0.38 0.01 0.00 0.02 0.00 0.00 54.97 54.57 1h2o s GLU 101 Cb -0.13 -0.63 -0.01 0.00 0.10 0.00 0.00 34.13 33.46 1h2o s GLU 101 CO 0.03 0.17 -0.03 0.99 0.02 0.00 0.00 175.26 176.44 1h2o s THR 102 N -0.37 0.21 -0.01 3.63 2.01 0.62 -0.13 115.64 121.61 1h2o s THR 102 Ca 0.02 -0.35 0.01 0.00 0.31 0.00 0.00 61.69 61.67 1h2o s THR 102 Cb -0.04 -0.23 0.00 0.00 0.01 0.00 0.00 72.50 72.24 1h2o s THR 102 CO -0.00 -0.09 -0.02 -0.75 -0.69 0.00 0.00 174.62 173.07 1h2o s LYS 103 N -0.47 0.20 0.05 4.92 2.20 0.24 0.95 119.74 127.83 1h2o s LYS 103 Ca -0.03 -0.06 0.07 0.00 -0.36 0.00 0.00 55.97 55.59 1h2o s LYS 103 Cb -0.03 -0.23 -0.03 0.00 -1.51 0.00 0.00 37.83 36.03 1h2o s LYS 103 CO -0.00 0.02 -0.21 -0.51 -0.36 0.00 0.00 175.35 174.30 1h2o s LEU 104 N 0.10 2.19 0.00 5.43 1.43 0.63 0.56 118.68 129.02 1h2o s LEU 104 Ca -0.01 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 1h2o s LEU 104 Cb -0.03 -0.95 0.00 0.00 0.03 0.00 0.00 46.19 45.24 1h2o s LEU 104 CO -0.00 0.14 0.00 0.52 0.23 0.00 0.00 176.35 177.23 1h2o n VAL 105 N 1.71 0.00 -4.81 -1.59 0.31 0.11 -4.48 118.33 109.58 1h2o n VAL 105 Ca -0.18 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 63.83 1h2o n VAL 105 Cb 0.53 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.34 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 -1.36 2.70 0.50 3.52 0.00 -1.26 -0.58 121.76 125.28 1h2o s ALA 106 Ca 0.00 -1.00 0.04 0.00 0.00 0.00 0.00 51.96 51.00 1h2o s ALA 106 Cb 0.00 -0.97 0.03 0.00 0.00 0.00 0.00 23.12 22.18 1h2o s ALA 106 CO 0.00 0.56 0.70 -1.54 0.00 0.00 0.00 175.76 175.48 1h2o s SER 107 N -0.89 5.41 0.00 0.00 1.04 0.50 -4.51 113.70 115.26 1h2o s SER 107 Ca 0.12 -0.20 0.16 0.00 0.48 0.00 0.00 55.95 56.51 1h2o s SER 107 Cb -0.11 -0.74 0.98 0.00 0.10 0.00 0.00 66.02 66.24 1h2o s SER 107 CO 0.02 -1.01 1.58 -0.81 0.98 0.00 0.00 173.24 174.01 1h2o n PRO 108 N -2.15 0.94 -0.10 4.02 -0.04 -1.26 -2.97 135.00 133.45 1h2o n PRO 108 Ca 0.08 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.60 1h2o n PRO 108 Cb 0.59 -1.27 0.11 0.00 -0.04 0.00 0.00 33.50 32.89 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 -0.77 2.51 0.00 3.54 7.64 -1.26 -4.96 113.62 120.32 1h2o n SER 109 Ca 0.12 -1.76 0.00 0.00 1.01 0.00 0.00 58.87 58.25 1h2o n SER 109 Cb 0.06 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 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 0.62 3.10 1.49 0.23 0.00 -1.16 -5.04 105.19 104.44 1h2o n GLY 110 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.47 -1.82 3.28 -0.02 0.00 -1.26 -4.76 105.19 100.14 1h2o n GLY 111 Ca 0.00 -1.59 -0.32 0.00 0.00 0.00 0.00 46.02 44.11 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 -2.85 3.31 0.33 1.61 1.04 0.54 -0.37 113.70 117.32 1h2o s SER 112 Ca 0.30 -0.48 -0.20 0.00 0.48 0.00 0.00 55.95 56.05 1h2o s SER 112 Cb -0.02 -1.22 -0.10 0.00 0.10 0.00 0.00 66.02 64.79 1h2o s SER 112 CO 0.22 0.20 0.84 -0.63 0.98 0.00 0.00 173.24 174.85 1h2o s ILE 113 N 0.10 4.47 -0.09 -1.02 1.01 0.25 -0.01 121.20 125.91 1h2o s ILE 113 Ca -0.10 1.37 0.00 0.00 0.00 0.00 0.00 60.65 61.91 1h2o s ILE 113 Cb -0.16 -3.75 0.02 0.00 0.01 0.00 0.00 42.46 38.59 1h2o s ILE 113 CO 0.06 -0.07 -0.07 -0.63 0.00 0.00 0.00 174.94 174.23 1h2o s ILE 114 N -1.86 0.91 -0.25 2.92 1.01 0.30 0.05 121.20 124.29 1h2o s ILE 114 Ca 0.53 -0.25 -0.04 0.00 0.00 0.00 0.00 60.65 60.89 1h2o s ILE 114 Cb -0.13 -0.93 0.01 0.00 0.01 0.00 0.00 42.46 41.41 1h2o s ILE 114 CO 0.18 0.34 -0.02 -0.75 0.00 0.00 0.00 174.94 174.69 1h2o s LYS 115 N 1.48 3.15 0.14 2.79 2.20 0.19 -1.06 119.74 128.64 1h2o s LYS 115 Ca -0.00 -0.78 0.07 0.00 -0.36 0.00 0.00 55.97 54.89 1h2o s LYS 115 Cb -0.13 -3.10 -0.04 0.00 -1.51 0.00 0.00 37.83 33.05 1h2o s LYS 115 CO -0.05 -0.32 -0.02 0.45 -0.36 0.00 0.00 175.35 175.05 1h2o s SER 116 N 1.44 4.75 -0.14 1.43 0.15 0.21 0.80 113.70 122.34 1h2o s SER 116 Ca 0.03 -0.35 -0.09 0.00 0.70 0.00 0.00 55.95 56.25 1h2o s SER 116 Cb -0.16 -1.02 0.05 0.00 -1.71 0.00 0.00 66.02 63.18 1h2o s SER 116 CO -0.02 0.13 0.35 -0.89 1.20 0.00 0.00 173.24 174.00 1h2o s THR 117 N -1.54 -0.02 0.07 6.45 2.01 0.82 -0.50 115.64 122.93 1h2o s THR 117 Ca 0.26 0.09 0.05 0.00 0.31 0.00 0.00 61.69 62.39 1h2o s THR 117 Cb -0.10 -0.51 -0.03 0.00 0.01 0.00 0.00 72.50 71.87 1h2o s THR 117 CO 0.18 0.03 -0.13 -0.44 -0.69 0.00 0.00 174.62 173.57 1h2o s SER 118 N 1.05 1.62 -0.01 3.53 0.01 0.23 0.77 113.70 120.90 1h2o s SER 118 Ca -0.07 -0.63 0.01 0.00 1.31 0.00 0.00 55.95 56.56 1h2o s SER 118 Cb -0.07 -0.04 0.01 0.00 0.21 0.00 0.00 66.02 66.13 1h2o s SER 118 CO -0.08 -0.10 -0.01 -1.00 0.41 0.00 0.00 173.24 172.46 1h2o s HIS 119 N -1.39 0.27 -0.20 2.43 3.76 0.11 -0.54 115.29 119.74 1h2o s HIS 119 Ca -0.02 -0.02 -0.03 0.00 -0.15 0.00 0.00 55.06 54.85 1h2o s HIS 119 Cb -0.09 -0.27 -0.01 0.00 1.11 0.00 0.00 32.58 33.32 1h2o s HIS 119 CO 0.02 -0.06 -0.08 0.71 -0.85 0.00 0.00 174.74 174.48 1h2o s TYR 120 N 0.43 2.91 -0.23 1.40 2.02 -1.11 -0.81 117.35 121.95 1h2o s TYR 120 Ca -0.04 -0.95 -0.19 0.00 -0.37 0.00 0.00 57.07 55.52 1h2o s TYR 120 Cb -0.07 -2.03 -0.03 0.00 -0.40 0.00 0.00 41.96 39.44 1h2o s TYR 120 CO -0.01 -0.50 0.55 -1.01 -1.57 0.00 0.00 175.55 173.01 1h2o s HIS 121 N 1.20 3.32 0.08 2.71 3.76 0.91 0.23 115.29 127.50 1h2o s HIS 121 Ca 0.02 0.75 -0.03 0.00 -0.15 0.00 0.00 55.06 55.66 1h2o s HIS 121 Cb -0.14 -2.74 -0.05 0.00 1.11 0.00 0.00 32.58 30.76 1h2o s HIS 121 CO -0.03 -0.22 0.28 0.95 -0.85 0.00 0.00 174.74 174.87 1h2o s THR 122 N 2.08 5.30 -0.39 1.30 -4.23 -1.23 -0.76 115.64 117.71 1h2o s THR 122 Ca 0.24 -0.17 -0.11 0.00 -1.18 0.00 0.00 61.69 60.47 1h2o s THR 122 Cb -0.16 -3.62 0.04 0.00 1.34 0.00 0.00 72.50 70.11 1h2o s THR 122 CO 0.09 0.14 0.24 -0.75 -0.54 0.00 0.00 174.62 173.80 1h2o s LYS 123 N -2.46 2.80 0.00 3.99 2.20 -1.00 -4.05 119.74 121.23 1h2o s LYS 123 Ca 0.36 -1.17 0.00 0.00 -0.36 0.00 0.00 55.97 54.80 1h2o s LYS 123 Cb -0.13 -3.80 0.00 0.00 -1.51 0.00 0.00 37.83 32.39 1h2o s LYS 123 CO 0.25 -0.78 0.00 0.41 -0.36 0.00 0.00 175.35 174.87 1h2o n GLY 124 N 5.02 0.62 2.68 5.54 0.00 -1.26 -4.63 105.19 113.16 1h2o n GLY 124 Ca -0.11 -1.62 -0.27 0.00 0.00 0.00 0.00 46.02 44.01 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 4.63 -4.71 1.61 5.15 -1.26 -4.67 115.26 116.00 1h2o n ASN 125 Ca 0.00 -3.71 -0.26 0.00 -0.60 0.00 0.00 54.58 50.02 1h2o n ASN 125 Cb 0.00 -0.51 -0.08 0.00 -0.53 0.00 0.00 39.78 38.66 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 -5.08 2.19 0.31 3.44 -7.23 -1.26 -5.15 120.40 107.62 1h2o s VAL 126 Ca 0.48 -1.78 0.04 0.00 -1.81 0.00 0.00 61.98 58.92 1h2o s VAL 126 Cb 0.35 -2.98 -0.02 0.00 0.56 0.00 0.00 36.38 34.29 1h2o s VAL 126 CO -0.17 0.00 0.16 -0.62 -0.31 0.00 0.00 175.10 174.16 1h2o n GLU 127 N -1.17 0.52 -2.17 4.82 1.02 -1.26 -4.87 120.64 117.53 1h2o n GLU 127 Ca -0.02 -2.76 -0.26 0.00 -0.02 0.00 0.00 57.16 54.09 1h2o n GLU 127 Cb 0.65 1.79 0.09 0.00 -0.02 0.00 0.00 31.44 33.96 1h2o n GLU 127 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1h2o s ILE 128 N -2.91 2.18 -0.14 -3.67 -1.09 -1.26 -4.97 121.20 109.34 1h2o s ILE 128 Ca 0.23 -0.24 -0.15 0.00 -2.23 0.00 0.00 60.65 58.26 1h2o s ILE 128 Cb 0.01 -2.95 -0.05 0.00 -1.58 0.00 0.00 42.46 37.90 1h2o s ILE 128 CO 0.16 0.00 0.34 -0.54 -1.23 0.00 0.00 174.94 173.68 1h2o s LYS 129 N -5.38 4.23 0.30 2.79 1.02 -1.26 -4.94 119.74 116.51 1h2o s LYS 129 Ca 0.63 0.20 0.07 0.00 0.02 0.00 0.00 55.97 56.89 1h2o s LYS 129 Cb -0.09 -3.41 0.80 0.00 -0.52 0.00 0.00 37.83 34.61 1h2o s LYS 129 CO 0.46 0.26 1.73 0.93 -0.92 0.00 0.00 175.35 177.82 1h2o h GLU 130 N 6.50 0.54 0.00 1.68 5.08 -1.98 1.72 114.58 128.12 1h2o h GLU 130 Ca -0.42 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1h2o h GLU 130 Cb 1.17 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1h2o h GLU 130 CO 0.74 0.36 0.00 -1.91 -1.00 0.00 0.00 179.01 177.20 1h2o n GLU 131 N -4.92 0.04 -0.09 2.33 2.13 -1.26 -1.55 120.64 117.32 1h2o n GLU 131 Ca 0.24 0.30 -0.16 0.00 0.66 0.00 0.00 57.16 58.20 1h2o n GLU 131 Cb 0.67 -1.50 -0.05 0.00 0.27 0.00 0.00 31.44 30.83 1h2o n GLU 131 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 1h2o n HIS 132 N -1.44 0.00 0.25 4.31 -0.00 0.57 -1.18 115.22 117.72 1h2o n HIS 132 Ca 0.03 0.00 0.07 0.00 0.46 0.00 0.00 57.72 58.28 1h2o n HIS 132 Cb 0.10 -0.63 0.60 0.00 -0.12 0.00 0.00 29.99 29.95 1h2o n HIS 132 CO 0.00 0.00 0.00 -0.24 0.46 0.00 0.00 176.34 176.56 1h2o h VAL 133 N -0.84 1.02 0.00 3.57 3.04 -1.05 -0.78 116.25 121.21 1h2o h VAL 133 Ca -0.30 -0.27 0.00 0.00 -1.01 0.00 0.00 66.70 65.12 1h2o h VAL 133 Cb 1.18 1.15 0.00 0.00 -2.01 0.00 0.00 31.29 31.60 1h2o h VAL 133 CO -0.18 0.08 0.00 1.17 -1.01 0.00 0.00 177.57 177.63 1h2o n LYS 134 N -4.39 0.00 0.31 4.17 4.81 -0.59 -4.27 118.16 118.20 1h2o n LYS 134 Ca -0.03 0.00 0.18 0.00 -0.87 0.00 0.00 58.31 57.59 1h2o n LYS 134 Cb 0.16 -0.23 0.94 0.00 0.02 0.00 0.00 35.03 35.92 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 -1.11 1.34 -0.01 3.14 0.00 -1.51 0.29 119.26 121.39 1h2o h ALA 135 Ca 0.00 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 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 -0.24 -0.74 0.78 0.00 0.00 0.00 179.25 179.05 1h2o h GLY 136 N 0.00 0.08 1.83 0.00 0.00 0.38 -3.04 103.07 102.32 1h2o h GLY 136 Ca 0.02 -0.12 -0.08 0.00 0.00 0.00 0.00 47.33 47.15 1h2o h GLY 136 CO -0.00 0.11 -0.28 0.50 0.00 0.00 0.00 176.54 176.86 1h2o h LYS 137 N 0.04 0.20 -0.08 4.80 1.57 -0.45 -2.50 116.57 120.16 1h2o h LYS 137 Ca -0.01 -0.07 -0.17 0.00 -1.87 0.00 0.00 60.65 58.53 1h2o h LYS 137 Cb 1.30 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.59 1h2o h LYS 137 CO 0.10 0.47 -0.68 1.49 -0.57 0.00 0.00 179.45 180.26 1h2o h GLU 138 N 0.18 0.35 -0.45 3.15 4.81 -1.51 -2.76 114.58 118.36 1h2o h GLU 138 Ca 0.03 -0.27 -0.12 0.00 -0.13 0.00 0.00 59.36 58.86 1h2o h GLU 138 Cb 0.60 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 1h2o h GLU 138 CO 0.04 0.90 -0.21 0.87 -0.73 0.00 0.00 179.01 179.89 1h2o h LYS 139 N 0.25 0.90 -0.64 1.92 1.57 -1.38 -2.95 116.57 116.24 1h2o h LYS 139 Ca -0.02 -0.37 -0.09 0.00 -1.87 0.00 0.00 60.65 58.30 1h2o h LYS 139 Cb 1.24 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 1h2o h LYS 139 CO 0.11 1.02 0.04 0.00 -0.57 0.00 0.00 179.45 180.06 1h2o h ALA 140 N 0.97 0.85 -0.88 3.86 0.00 -1.41 -2.67 119.26 119.99 1h2o h ALA 140 Ca 0.11 -0.30 0.08 0.00 0.00 0.00 0.00 54.91 54.80 1h2o h ALA 140 Cb 0.76 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 1h2o h ALA 140 CO 0.06 0.67 0.57 1.03 0.00 0.00 0.00 179.25 181.58 1h2o h SER 141 N 1.01 0.83 -0.28 0.00 0.87 -1.33 -1.84 113.55 112.81 1h2o h SER 141 Ca 0.19 0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.80 1h2o h SER 141 Cb 0.52 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.28 1h2o h SER 141 CO 0.02 0.51 0.07 0.78 -0.53 0.00 0.00 176.83 177.68 1h2o h ASN 142 N 0.93 0.03 -0.33 6.23 -0.26 -1.32 -1.18 115.58 119.68 1h2o h ASN 142 Ca 0.39 0.04 -0.02 0.00 -0.56 0.00 0.00 56.30 56.16 1h2o h ASN 142 Cb 0.31 0.05 -0.02 0.00 -1.06 0.00 0.00 38.32 37.60 1h2o h ASN 142 CO -0.16 0.05 0.16 -0.07 -1.06 0.00 0.00 177.43 176.35 1h2o h LEU 143 N 0.17 0.48 -0.86 1.61 4.07 -1.35 -1.91 115.31 117.52 1h2o h LEU 143 Ca 0.13 -0.04 -0.07 0.00 0.08 0.00 0.00 57.88 57.98 1h2o h LEU 143 Cb 0.13 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 41.72 1h2o h LEU 143 CO -0.16 0.43 0.09 -0.26 -1.08 0.00 0.00 178.44 177.46 1h2o h PHE 144 N 0.53 0.99 0.00 1.13 0.04 -0.71 -1.40 116.94 117.52 1h2o h PHE 144 Ca 0.13 -0.12 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1h2o h PHE 144 Cb 0.10 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 37.97 1h2o h PHE 144 CO 0.00 0.85 0.00 1.63 -0.60 0.00 0.00 178.31 180.19 1h2o n LYS 145 N -4.23 0.10 0.10 1.51 5.02 -0.65 -2.52 118.16 117.49 1h2o n LYS 145 Ca 0.04 0.29 -0.19 0.00 -2.02 0.00 0.00 58.31 56.44 1h2o n LYS 145 Cb 0.27 -1.67 -0.15 0.00 -0.02 0.00 0.00 35.03 33.46 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 0.54 0.02 -0.35 3.38 -0.97 -2.32 115.31 115.60 1h2o h LEU 146 Ca 0.00 -0.62 -0.00 0.00 0.09 0.00 0.00 57.88 57.35 1h2o h LEU 146 Cb 0.36 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1h2o h LEU 146 CO 0.00 1.49 -0.01 0.40 0.09 0.00 0.00 178.44 180.41 1h2o h ILE 147 N 0.09 1.33 -0.82 1.22 2.04 -1.33 -1.16 117.51 118.90 1h2o h ILE 147 Ca -0.20 -1.10 0.04 0.00 1.00 0.00 0.00 64.86 64.60 1h2o h ILE 147 Cb 2.04 2.07 -0.05 0.00 -0.74 0.00 0.00 36.82 40.14 1h2o h ILE 147 CO 0.21 0.28 0.54 -0.33 0.00 0.00 0.00 178.15 178.85 1h2o h GLU 148 N -0.50 0.94 -0.20 2.37 5.08 -1.61 -0.50 114.58 120.16 1h2o h GLU 148 Ca -0.00 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.21 1h2o h GLU 148 Cb 0.48 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1h2o h GLU 148 CO 0.00 0.62 -0.29 1.15 -1.00 0.00 0.00 179.01 179.50 1h2o h THR 149 N 0.97 1.27 -0.45 1.13 2.02 -1.29 0.94 112.91 117.50 1h2o h THR 149 Ca 0.33 -1.30 0.02 0.00 0.77 0.00 0.00 66.41 66.23 1h2o h THR 149 Cb 0.10 1.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 1h2o h THR 149 CO -0.11 0.41 0.27 0.22 0.37 0.00 0.00 175.52 176.68 1h2o h TYR 150 N 0.34 0.50 0.00 3.16 3.20 0.21 -2.04 116.97 122.33 1h2o h TYR 150 Ca 0.05 0.02 -0.19 0.00 3.14 0.00 0.00 58.73 61.75 1h2o h TYR 150 Cb 0.69 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.77 1h2o h TYR 150 CO 0.02 0.29 -0.89 -0.07 -1.64 0.00 0.00 178.16 175.87 1h2o h LEU 151 N 0.54 0.00 -1.08 2.82 3.38 -1.28 0.29 115.31 119.98 1h2o h LEU 151 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1h2o h LEU 151 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1h2o h LEU 151 CO -0.08 0.89 0.00 1.17 0.09 0.00 0.00 178.44 180.51 1h2o n LYS 152 N -3.32 0.18 -0.00 1.13 4.81 0.31 -2.90 118.16 118.36 1h2o n LYS 152 Ca 0.00 0.53 -0.00 0.00 -0.87 0.00 0.00 58.31 57.97 1h2o n LYS 152 Cb 0.89 -1.93 -0.00 0.00 0.02 0.00 0.00 35.03 34.01 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 -0.60 -0.01 3.21 3.14 0.00 -0.81 -4.90 105.19 105.22 1h2o n GLY 153 Ca 0.00 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.01 3.52 -2.00 1.61 3.76 0.10 -4.89 115.29 115.39 1h2o s HIS 154 Ca -0.00 -2.19 0.12 0.00 -0.15 0.00 0.00 55.06 52.85 1h2o s HIS 154 Cb 0.00 -3.51 0.73 0.00 1.11 0.00 0.00 32.58 30.92 1h2o s HIS 154 CO 0.01 -0.94 1.26 -0.35 -0.85 0.00 0.00 174.74 173.87 1h2o n PRO 155 N 4.13 0.71 0.00 8.40 -0.04 -1.26 -2.48 135.00 144.47 1h2o n PRO 155 Ca 0.04 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.52 1h2o n PRO 155 Cb 0.42 -1.27 -0.01 0.00 -0.04 0.00 0.00 33.50 32.59 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 0.55 -4.46 3.54 8.00 -1.26 -4.72 116.55 117.42 1h2o n ASP 156 Ca 0.09 -0.77 -0.48 0.00 0.71 0.00 0.00 54.79 54.34 1h2o n ASP 156 Cb 0.04 0.73 -0.07 0.00 -0.02 0.00 0.00 41.12 41.80 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 -0.73 1.02 -2.20 2.24 0.00 -1.03 -2.04 120.51 117.77 1h2o n ALA 157 Ca 0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 53.44 53.26 1h2o n ALA 157 Cb 0.09 -2.61 -0.00 0.00 0.00 0.00 0.00 19.45 16.93 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 10.57 -1.53 -0.77 0.00 0.18 -1.26 -4.99 117.16 119.37 1h2o n TYR 158 Ca 0.42 0.04 0.00 0.00 1.88 0.00 0.00 57.90 60.24 1h2o n TYR 158 Cb 0.25 -0.83 0.00 0.00 -0.38 0.00 0.00 39.34 38.38 1h2o n TYR 158 CO 0.00 0.00 0.00 -1.71 -2.08 0.00 0.00 176.86 173.07