#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 3.07 0.33 1.61 1.01 -1.26 -3.08 120.40 122.08 1h2o s VAL 2 Ca 0.00 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.25 1h2o s VAL 2 Cb 0.00 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 1h2o s VAL 2 CO 0.00 0.56 0.59 -0.36 0.00 0.00 0.00 175.10 175.89 1h2o s PHE 3 N -0.21 3.49 -0.15 5.22 0.40 -0.93 -4.86 117.98 120.94 1h2o s PHE 3 Ca 0.01 0.62 -0.03 0.00 -0.60 0.00 0.00 56.93 56.93 1h2o s PHE 3 Cb -0.13 -2.10 0.05 0.00 0.51 0.00 0.00 43.02 41.35 1h2o s PHE 3 CO 0.03 0.09 0.03 0.99 0.70 0.00 0.00 175.22 177.06 1h2o s THR 4 N -2.24 0.37 0.04 0.64 2.01 -1.26 -2.77 115.64 112.43 1h2o s THR 4 Ca 0.44 -0.26 0.06 0.00 0.31 0.00 0.00 61.69 62.23 1h2o s THR 4 Cb -0.10 -0.79 -0.02 0.00 0.01 0.00 0.00 72.50 71.60 1h2o s THR 4 CO 0.33 -0.07 -0.16 -0.31 -0.69 0.00 0.00 174.62 173.73 1h2o s TYR 5 N 1.94 1.40 0.03 4.92 2.02 -0.32 -5.02 117.35 122.32 1h2o s TYR 5 Ca 0.01 -0.35 -0.00 0.00 -0.37 0.00 0.00 57.07 56.36 1h2o s TYR 5 Cb -0.15 -0.83 -0.02 0.00 -0.40 0.00 0.00 41.96 40.55 1h2o s TYR 5 CO -0.07 0.05 -0.03 -1.83 -1.57 0.00 0.00 175.55 172.10 1h2o s GLU 6 N -1.11 0.39 -0.05 -0.62 -1.05 -1.26 -0.60 118.70 114.40 1h2o s GLU 6 Ca 0.03 -0.76 -0.03 0.00 -0.15 0.00 0.00 54.97 54.06 1h2o s GLU 6 Cb -0.08 0.14 0.02 0.00 -0.44 0.00 0.00 34.13 33.77 1h2o s GLU 6 CO 0.01 -0.07 0.12 -1.54 0.95 0.00 0.00 175.26 174.73 1h2o s SER 7 N -1.84 -0.10 0.01 0.83 1.04 0.91 -4.97 113.70 109.58 1h2o s SER 7 Ca -0.10 0.24 0.07 0.00 0.48 0.00 0.00 55.95 56.64 1h2o s SER 7 Cb -0.05 0.20 -0.02 0.00 0.10 0.00 0.00 66.02 66.25 1h2o s SER 7 CO -0.03 -0.08 -0.22 -0.70 0.98 0.00 0.00 173.24 173.19 1h2o s GLU 8 N 0.46 1.67 0.32 4.02 2.12 -1.26 -0.06 118.70 125.96 1h2o s GLU 8 Ca -0.03 -0.86 -0.10 0.00 0.36 0.00 0.00 54.97 54.34 1h2o s GLU 8 Cb -0.05 -1.68 0.04 0.00 0.26 0.00 0.00 34.13 32.70 1h2o s GLU 8 CO -0.02 0.45 0.60 1.97 -0.54 0.00 0.00 175.26 177.72 1h2o n PHE 9 N 2.27 -1.96 -4.22 5.30 -1.74 0.03 -5.00 117.46 112.14 1h2o n PHE 9 Ca -0.16 -1.61 -0.16 0.00 -0.56 0.00 0.00 57.45 54.97 1h2o n PHE 9 Cb 0.53 0.70 -0.08 0.00 1.52 0.00 0.00 39.48 42.15 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 -2.36 0.00 0.18 1.97 -4.23 -1.26 0.16 115.64 110.09 1h2o s THR 10 Ca 0.15 -1.92 -0.22 0.00 -1.18 0.00 0.00 61.69 58.52 1h2o s THR 10 Cb -0.03 -2.50 0.06 0.00 1.34 0.00 0.00 72.50 71.36 1h2o s THR 10 CO 0.11 0.00 0.59 -0.55 -0.54 0.00 0.00 174.62 174.23 1h2o s SER 11 N -3.26 -0.47 0.04 3.99 0.15 0.13 -4.88 113.70 109.40 1h2o s SER 11 Ca 0.38 -0.15 -0.07 0.00 0.70 0.00 0.00 55.95 56.81 1h2o s SER 11 Cb 0.04 0.60 -0.30 0.00 -1.71 0.00 0.00 66.02 64.65 1h2o s SER 11 CO 0.20 -1.02 1.02 -0.33 1.20 0.00 0.00 173.24 174.31 1h2o h GLU 12 N 2.05 0.33 -7.11 5.44 5.08 -1.93 1.20 114.58 119.64 1h2o h GLU 12 Ca -0.31 -0.57 -0.55 0.00 -1.00 0.00 0.00 59.36 56.92 1h2o h GLU 12 Cb 1.29 0.21 0.16 0.00 0.50 0.00 0.00 28.75 30.91 1h2o h GLU 12 CO 0.37 1.25 0.50 0.42 -1.00 0.00 0.00 179.01 180.55 1h2o s ILE 13 N -2.63 2.08 0.40 3.13 1.09 -1.26 -4.41 121.20 119.60 1h2o s ILE 13 Ca -0.07 0.05 -0.26 0.00 -1.10 0.00 0.00 60.65 59.27 1h2o s ILE 13 Cb 0.06 -2.98 -0.09 0.00 -1.06 0.00 0.00 42.46 38.39 1h2o s ILE 13 CO 0.89 -0.01 1.32 -2.16 -0.10 0.00 0.00 174.94 174.88 1h2o s PRO 14 N -3.42 3.98 0.25 2.79 0.04 -1.26 -4.13 135.00 133.24 1h2o s PRO 14 Ca 0.82 2.21 0.08 0.00 0.04 0.00 0.00 61.00 64.15 1h2o s PRO 14 Cb -0.36 -2.78 0.27 0.00 0.04 0.00 0.00 34.50 31.66 1h2o s PRO 14 CO 0.40 -0.50 1.56 -1.00 0.04 0.00 0.00 177.00 177.50 1h2o h PRO 15 N 2.72 0.07 0.00 0.56 0.13 -1.92 -2.75 132.00 130.81 1h2o h PRO 15 Ca -0.50 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 64.58 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 0.63 0.70 -0.02 -1.00 -0.23 0.00 0.00 178.00 178.08 1h2o h PRO 16 N 0.05 0.00 0.00 1.56 0.13 -1.93 -0.78 132.00 131.02 1h2o h PRO 16 Ca -0.01 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.04 1h2o h PRO 16 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1h2o h PRO 16 CO 0.09 0.02 -0.44 -0.09 -0.23 0.00 0.00 178.00 177.35 1h2o h ARG 17 N 0.00 0.00 0.00 0.86 2.43 -1.89 -2.80 114.38 112.98 1h2o h ARG 17 Ca -0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1h2o h ARG 17 Cb 0.67 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.22 1h2o h ARG 17 CO 0.00 0.95 -0.06 1.25 -1.51 0.00 0.00 179.97 180.60 1h2o h LEU 18 N -1.00 0.00 0.31 3.80 6.46 -1.48 -2.51 115.31 120.89 1h2o h LEU 18 Ca -0.12 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.63 1h2o h LEU 18 Cb 1.06 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.99 1h2o h LEU 18 CO -0.07 0.06 -0.15 0.15 -0.62 0.00 0.00 178.44 177.81 1h2o h PHE 19 N 0.00 -0.38 -1.03 1.25 3.57 -1.19 0.21 116.94 119.36 1h2o h PHE 19 Ca -0.00 -0.01 0.27 0.00 3.53 0.00 0.00 57.97 61.76 1h2o h PHE 19 Cb 0.16 0.13 -0.07 0.00 2.79 0.00 0.00 35.95 38.95 1h2o h PHE 19 CO 0.00 -0.04 0.70 0.87 -2.23 0.00 0.00 178.31 177.61 1h2o h LYS 20 N -0.85 0.23 0.00 1.11 1.57 -1.17 0.30 116.57 117.76 1h2o h LYS 20 Ca -0.04 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1h2o h LYS 20 Cb 0.52 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1h2o h LYS 20 CO 0.07 0.15 -0.00 0.00 -0.57 0.00 0.00 179.45 179.10 1h2o h ALA 21 N 1.56 -0.00 -0.62 3.86 0.00 -1.26 0.94 119.26 123.73 1h2o h ALA 21 Ca 0.54 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1h2o h ALA 21 Cb 1.67 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.43 1h2o h ALA 21 CO -0.17 -0.03 0.24 0.35 0.00 0.00 0.00 179.25 179.65 1h2o h PHE 22 N -0.95 0.91 0.00 0.00 3.57 0.60 1.70 116.94 122.77 1h2o h PHE 22 Ca -0.00 -0.05 -0.11 0.00 3.53 0.00 0.00 57.97 61.34 1h2o h PHE 22 Cb 0.90 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 1h2o h PHE 22 CO 0.25 0.71 -1.10 0.28 -2.23 0.00 0.00 178.31 176.22 1h2o n VAL 23 N -4.31 1.13 1.64 1.41 0.31 0.93 -3.47 118.33 115.97 1h2o n VAL 23 Ca 0.05 0.06 0.13 0.00 -0.01 0.00 0.00 64.34 64.57 1h2o n VAL 23 Cb 0.17 -1.87 0.77 0.00 -0.91 0.00 0.00 33.84 32.01 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 -3.86 0.00 -0.33 7.52 4.32 -0.04 -3.62 117.00 121.00 1h2o n LEU 24 Ca -0.17 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.82 1h2o n LEU 24 Cb 0.46 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.26 1h2o n LEU 24 CO 0.07 0.00 0.20 -0.67 -1.22 0.00 0.00 177.39 175.77 1h2o n ASP 25 N -1.00 0.00 -0.32 -1.43 2.03 0.31 -4.83 116.55 111.31 1h2o n ASP 25 Ca 0.20 -1.25 0.03 0.00 0.52 0.00 0.00 54.79 54.28 1h2o n ASP 25 Cb 0.09 -0.05 0.18 0.00 -0.72 0.00 0.00 41.12 40.61 1h2o n ASP 25 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1h2o h ALA 26 N 0.00 1.26 -0.12 -1.67 0.00 0.25 0.66 119.26 119.65 1h2o h ALA 26 Ca 0.00 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1h2o h ALA 26 Cb 1.10 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1h2o h ALA 26 CO 0.00 0.19 0.16 -0.44 0.00 0.00 0.00 179.25 179.16 1h2o h ASP 27 N 0.90 0.00 0.00 0.00 3.32 -1.86 -0.92 116.42 117.86 1h2o h ASP 27 Ca 0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.46 1h2o h ASP 27 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1h2o h ASP 27 CO -0.23 0.00 -0.00 0.59 -1.72 0.00 0.00 179.24 177.88 1h2o n ASN 28 N -3.62 2.09 -0.13 6.45 3.02 0.55 -4.22 115.26 119.40 1h2o n ASN 28 Ca 0.00 -2.40 -0.24 0.00 -0.03 0.00 0.00 54.58 51.90 1h2o n ASN 28 Cb 0.27 -0.17 -0.10 0.00 -0.61 0.00 0.00 39.78 39.17 1h2o n ASN 28 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1h2o n LEU 29 N -0.85 2.30 -0.09 3.41 -0.00 0.20 -4.01 117.00 117.96 1h2o n LEU 29 Ca 0.06 0.15 -0.14 0.00 -0.00 0.00 0.00 56.01 56.09 1h2o n LEU 29 Cb 0.41 -0.82 -0.05 0.00 -0.00 0.00 0.00 43.42 42.96 1h2o n LEU 29 CO 0.00 0.69 0.54 0.58 -0.00 0.00 0.00 177.39 179.21 1h2o h VAL 30 N -0.60 1.30 0.00 1.96 2.07 -1.77 0.10 116.25 119.31 1h2o h VAL 30 Ca -0.64 -1.51 0.00 0.00 0.82 0.00 0.00 66.70 65.37 1h2o h VAL 30 Cb 1.70 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 33.10 1h2o h VAL 30 CO -0.29 0.48 0.00 -0.81 0.02 0.00 0.00 177.57 176.97 1h2o n PRO 31 N -4.24 0.82 0.00 1.57 -0.04 -1.26 -1.95 135.00 129.90 1h2o n PRO 31 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1h2o n PRO 31 Cb 0.50 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 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 -0.77 3.11 0.11 0.54 5.02 -1.05 -4.49 118.16 120.62 1h2o n LYS 32 Ca 0.11 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.23 1h2o n LYS 32 Cb 0.05 -1.00 -0.14 0.00 -0.02 0.00 0.00 35.03 33.92 1h2o n LYS 32 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1h2o h ILE 33 N 0.00 1.48 -0.98 -0.18 2.04 -0.77 -3.44 117.51 115.67 1h2o h ILE 33 Ca 0.00 -3.04 0.02 0.00 1.00 0.00 0.00 64.86 62.84 1h2o h ILE 33 Cb 1.00 2.95 -0.21 0.00 -0.74 0.00 0.00 36.82 39.83 1h2o h ILE 33 CO 0.00 0.89 -0.38 0.00 0.00 0.00 0.00 178.15 178.66 1h2o s ALA 34 N -2.65 -2.45 -2.00 1.87 0.00 -0.82 -4.99 121.76 110.72 1h2o s ALA 34 Ca -0.04 0.92 0.21 0.00 0.00 0.00 0.00 51.96 53.04 1h2o s ALA 34 Cb 0.07 -2.59 1.25 0.00 0.00 0.00 0.00 23.12 21.85 1h2o s ALA 34 CO 0.89 -1.91 1.63 -0.35 0.00 0.00 0.00 175.76 176.02 1h2o n PRO 35 N 5.23 0.66 0.09 0.00 -0.04 -1.26 -2.66 135.00 137.02 1h2o n PRO 35 Ca 0.06 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.64 1h2o n PRO 35 Cb 0.55 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.00 0.57 -0.02 0.54 10.64 -1.26 -4.25 117.38 122.60 1h2o n GLN 36 Ca 0.16 0.10 -0.22 0.00 -1.83 0.00 0.00 57.00 55.21 1h2o n GLN 36 Cb 0.07 -1.79 -0.13 0.00 -0.86 0.00 0.00 30.24 27.53 1h2o n GLN 36 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1h2o h ALA 37 N 2.06 0.38 -3.92 2.61 0.00 -1.86 -3.39 119.26 115.14 1h2o h ALA 37 Ca 0.00 -1.33 -0.48 0.00 0.00 0.00 0.00 54.91 53.10 1h2o h ALA 37 Cb 0.97 0.71 -0.26 0.00 0.00 0.00 0.00 17.79 19.20 1h2o h ALA 37 CO 0.00 1.14 -0.81 0.42 0.00 0.00 0.00 179.25 180.00 1h2o s ILE 38 N -2.51 1.22 0.01 0.00 1.09 -1.24 -3.66 121.20 116.11 1h2o s ILE 38 Ca -0.24 -0.94 -0.18 0.00 -1.10 0.00 0.00 60.65 58.20 1h2o s ILE 38 Cb 0.06 -1.07 -0.32 0.00 -1.06 0.00 0.00 42.46 40.08 1h2o s ILE 38 CO 0.73 0.12 1.01 0.50 -0.10 0.00 0.00 174.94 177.20 1h2o h LYS 39 N 5.14 0.49 -1.16 2.79 3.64 -0.05 -3.41 116.57 124.01 1h2o h LYS 39 Ca -0.38 -0.74 0.32 0.00 -1.27 0.00 0.00 60.65 58.58 1h2o h LYS 39 Cb 1.17 0.26 -0.19 0.00 -0.41 0.00 0.00 32.23 33.06 1h2o h LYS 39 CO 0.45 1.34 0.94 -3.38 -2.27 0.00 0.00 179.45 176.53 1h2o s HIS 40 N -2.72 -0.04 -0.14 1.91 -3.43 -1.25 -4.95 115.29 104.67 1h2o s HIS 40 Ca -0.11 0.02 0.01 0.00 -0.80 0.00 0.00 55.06 54.18 1h2o s HIS 40 Cb 0.03 0.51 0.02 0.00 -1.43 0.00 0.00 32.58 31.71 1h2o s HIS 40 CO 0.90 -0.07 -0.17 -1.12 -2.00 0.00 0.00 174.74 172.28 1h2o s SER 41 N -2.21 2.75 -0.21 7.38 0.01 -1.26 -1.37 113.70 118.80 1h2o s SER 41 Ca 0.12 -0.51 -0.00 0.00 1.31 0.00 0.00 55.95 56.86 1h2o s SER 41 Cb 0.00 -1.24 0.05 0.00 0.21 0.00 0.00 66.02 65.04 1h2o s SER 41 CO -0.03 -0.00 -0.04 -0.70 0.41 0.00 0.00 173.24 172.87 1h2o s GLU 42 N 1.20 1.45 0.48 12.44 2.12 -1.21 -4.86 118.70 130.33 1h2o s GLU 42 Ca -0.00 -0.75 -0.24 0.00 0.36 0.00 0.00 54.97 54.33 1h2o s GLU 42 Cb -0.14 -2.33 -0.07 0.00 0.26 0.00 0.00 34.13 31.84 1h2o s GLU 42 CO -0.07 -0.54 1.42 0.42 -0.54 0.00 0.00 175.26 175.95 1h2o s ILE 43 N 1.54 2.01 -0.01 -3.70 1.01 -1.26 -2.10 121.20 118.68 1h2o s ILE 43 Ca -0.03 0.00 0.01 0.00 0.00 0.00 0.00 60.65 60.63 1h2o s ILE 43 Cb -0.17 -3.00 -0.01 0.00 0.01 0.00 0.00 42.46 39.28 1h2o s ILE 43 CO -0.07 0.00 0.01 0.18 0.00 0.00 0.00 174.94 175.06 1h2o n LEU 44 N -0.44 0.00 -4.44 2.97 4.77 0.55 -4.87 117.00 115.54 1h2o n LEU 44 Ca 0.07 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.82 1h2o n LEU 44 Cb 0.42 0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.42 1h2o n LEU 44 CO 0.58 0.01 -0.43 0.26 -1.33 0.00 0.00 177.39 176.48 1h2o s TRP 45 N -2.03 2.08 0.00 -1.77 0.52 -0.92 -4.83 118.94 111.98 1h2o s TRP 45 Ca -0.00 -0.51 0.00 0.00 0.02 0.00 0.00 56.10 55.60 1h2o s TRP 45 Cb 0.00 -1.04 0.00 0.00 -1.15 0.00 0.00 33.47 31.29 1h2o s TRP 45 CO 0.03 0.50 0.00 0.41 0.02 0.00 0.00 176.95 177.91 1h2o n GLY 46 N -0.58 1.30 0.86 0.98 0.00 -1.26 -3.22 105.19 103.26 1h2o n GLY 46 Ca -0.06 -0.35 -0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.12 0.04 0.00 1.61 2.03 -1.26 -4.94 116.55 111.92 1h2o n ASP 47 Ca 0.00 -1.75 0.00 0.00 0.52 0.00 0.00 54.79 53.56 1h2o n ASP 47 Cb 0.00 -0.07 0.00 0.00 -0.72 0.00 0.00 41.12 40.33 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 0.13 1.87 1.11 0.27 0.00 -1.26 -5.10 105.19 102.20 1h2o n GLY 48 Ca -0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.52 3.71 -0.02 0.00 -1.26 -4.90 105.19 101.20 1h2o n GLY 49 Ca 0.00 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 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 -3.83 4.37 0.00 1.61 0.04 -1.26 -2.60 135.00 133.34 1h2o s PRO 50 Ca 0.22 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.15 1h2o s PRO 50 Cb -0.01 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.20 1h2o s PRO 50 CO 0.16 -0.36 0.00 0.41 0.04 0.00 0.00 177.00 177.25 1h2o n GLY 51 N 3.36 1.53 3.74 0.56 0.00 0.23 -4.95 105.19 109.65 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 -2.30 2.80 -0.07 2.61 2.01 -1.07 -4.61 115.64 115.01 1h2o s THR 52 Ca 0.00 0.26 -0.01 0.00 0.31 0.00 0.00 61.69 62.25 1h2o s THR 52 Cb 0.00 -2.79 0.03 0.00 0.01 0.00 0.00 72.50 69.75 1h2o s THR 52 CO 0.00 -0.34 -0.01 -0.63 -0.69 0.00 0.00 174.62 172.95 1h2o s ILE 53 N -2.97 0.41 -0.07 1.82 1.01 -1.20 -0.35 121.20 119.85 1h2o s ILE 53 Ca 0.63 0.08 -0.01 0.00 0.00 0.00 0.00 60.65 61.35 1h2o s ILE 53 Cb -0.17 -0.54 -0.03 0.00 0.01 0.00 0.00 42.46 41.72 1h2o s ILE 53 CO 0.56 0.26 -0.01 -0.54 0.00 0.00 0.00 174.94 175.21 1h2o s LYS 54 N 1.83 2.90 -0.67 2.79 1.02 0.24 0.21 119.74 128.06 1h2o s LYS 54 Ca 0.03 -0.47 -0.06 0.00 0.02 0.00 0.00 55.97 55.50 1h2o s LYS 54 Cb -0.12 -2.73 0.17 0.00 -0.52 0.00 0.00 37.83 34.63 1h2o s LYS 54 CO -0.05 0.68 0.52 0.21 -0.92 0.00 0.00 175.35 175.80 1h2o s LYS 55 N -0.97 2.83 0.25 1.68 2.20 -0.89 0.99 119.74 125.82 1h2o s LYS 55 Ca 0.14 -2.50 -0.29 0.00 -0.36 0.00 0.00 55.97 52.96 1h2o s LYS 55 Cb -0.11 -3.91 -0.09 0.00 -1.51 0.00 0.00 37.83 32.20 1h2o s LYS 55 CO 0.03 -1.20 0.94 0.42 -0.36 0.00 0.00 175.35 175.18 1h2o s ILE 56 N 0.02 4.09 0.24 5.43 1.01 -0.10 -3.32 121.20 128.57 1h2o s ILE 56 Ca 0.17 2.06 0.09 0.00 0.00 0.00 0.00 60.65 62.96 1h2o s ILE 56 Cb -0.18 -4.29 -0.04 0.00 0.01 0.00 0.00 42.46 37.96 1h2o s ILE 56 CO -0.05 0.46 0.03 0.42 0.00 0.00 0.00 174.94 175.81 1h2o s THR 57 N -1.23 3.71 -0.09 2.92 -4.23 -0.47 0.78 115.64 117.03 1h2o s THR 57 Ca 0.42 -1.69 0.03 0.00 -1.18 0.00 0.00 61.69 59.26 1h2o s THR 57 Cb -0.25 -2.96 -0.01 0.00 1.34 0.00 0.00 72.50 70.62 1h2o s THR 57 CO 0.31 -0.30 -0.18 -0.36 -0.54 0.00 0.00 174.62 173.55 1h2o s PHE 58 N -2.14 2.66 0.40 3.99 0.08 0.81 0.62 117.98 124.40 1h2o s PHE 58 Ca 0.31 -0.59 0.10 0.00 0.12 0.00 0.00 56.93 56.86 1h2o s PHE 58 Cb -0.07 -1.71 0.84 0.00 -0.57 0.00 0.00 43.02 41.51 1h2o s PHE 58 CO 0.20 -0.14 1.96 0.78 -0.10 0.00 0.00 175.22 177.93 1h2o h GLY 59 N 6.20 0.29 -1.25 4.36 0.00 -1.76 -3.40 103.07 107.51 1h2o h GLY 59 Ca -0.32 -0.16 -0.51 0.00 0.00 0.00 0.00 47.33 46.35 1h2o h GLY 59 CO 0.51 0.15 0.20 -0.54 0.00 0.00 0.00 176.54 176.85 1h2o s GLU 60 N -4.90 0.74 -0.74 4.80 2.02 -1.26 -3.89 118.70 115.47 1h2o s GLU 60 Ca -0.06 1.49 -0.04 0.00 0.02 0.00 0.00 54.97 56.38 1h2o s GLU 60 Cb 0.16 -1.70 0.01 0.00 0.10 0.00 0.00 34.13 32.69 1h2o s GLU 60 CO 0.73 -2.80 0.65 0.41 0.02 0.00 0.00 175.26 174.26 1h2o n GLY 61 N 0.34 -1.18 0.58 -1.39 0.00 -1.26 -4.40 105.19 97.88 1h2o n GLY 61 Ca 0.11 0.64 0.38 0.00 0.00 0.00 0.00 46.02 47.14 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 0.35 0.00 0.00 1.61 0.02 -1.89 -2.10 113.55 111.55 1h2o h SER 62 Ca -0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1h2o h SER 62 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1h2o h SER 62 CO 0.32 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 176.01 1h2o n GLN 63 N -3.69 0.00 -3.15 3.45 6.02 -1.26 -4.82 117.38 113.93 1h2o n GLN 63 Ca 0.30 0.59 0.05 0.00 -0.01 0.00 0.00 57.00 57.93 1h2o n GLN 63 Cb 1.58 -1.37 -0.00 0.00 1.02 0.00 0.00 30.24 31.46 1h2o n GLN 63 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 1h2o s TYR 64 N -2.50 -0.63 -0.43 1.08 6.14 -0.79 -5.11 117.35 115.12 1h2o s TYR 64 Ca 0.00 0.39 0.02 0.00 0.64 0.00 0.00 57.07 58.12 1h2o s TYR 64 Cb 0.00 0.12 0.13 0.00 0.42 0.00 0.00 41.96 42.63 1h2o s TYR 64 CO 0.00 -0.37 0.23 0.20 0.64 0.00 0.00 175.55 176.25 1h2o s GLY 65 N 2.94 1.66 0.13 8.97 0.00 -1.25 -5.05 107.32 114.72 1h2o s GLY 65 Ca 0.24 -2.56 -0.01 0.00 0.00 0.00 0.00 44.72 42.38 1h2o s GLY 65 CO -0.22 1.53 0.07 -2.52 0.00 0.00 0.00 173.10 171.96 1h2o s TYR 66 N 0.41 0.85 0.33 1.90 -0.85 -1.26 0.28 117.35 119.01 1h2o s TYR 66 Ca 0.17 -1.22 0.03 0.00 -0.52 0.00 0.00 57.07 55.54 1h2o s TYR 66 Cb -0.24 -0.46 -0.04 0.00 0.38 0.00 0.00 41.96 41.59 1h2o s TYR 66 CO -0.00 -0.53 0.11 0.14 -1.52 0.00 0.00 175.55 173.74 1h2o s VAL 67 N -4.05 0.70 -0.11 -3.49 -7.23 0.23 -4.28 120.40 102.18 1h2o s VAL 67 Ca 0.24 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.43 1h2o s VAL 67 Cb 0.07 -2.56 0.02 0.00 0.56 0.00 0.00 36.38 34.46 1h2o s VAL 67 CO 0.02 0.00 -0.15 -0.54 -0.31 0.00 0.00 175.10 174.12 1h2o s LYS 68 N -3.84 2.17 -0.20 4.82 1.02 -0.81 -0.92 119.74 121.97 1h2o s LYS 68 Ca 0.33 -0.54 -0.03 0.00 0.02 0.00 0.00 55.97 55.75 1h2o s LYS 68 Cb 0.06 -1.88 -0.01 0.00 -0.52 0.00 0.00 37.83 35.47 1h2o s LYS 68 CO 0.15 -0.10 -0.06 -1.01 -0.92 0.00 0.00 175.35 173.42 1h2o s HIS 69 N 1.09 2.94 -0.40 3.18 3.76 0.28 -1.83 115.29 124.30 1h2o s HIS 69 Ca -0.05 -0.88 -0.16 0.00 -0.15 0.00 0.00 55.06 53.83 1h2o s HIS 69 Cb -0.14 -2.05 0.01 0.00 1.11 0.00 0.00 32.58 31.50 1h2o s HIS 69 CO -0.03 -0.48 0.34 0.21 -0.85 0.00 0.00 174.74 173.94 1h2o s LYS 70 N 1.25 3.14 0.13 1.40 2.20 0.29 0.82 119.74 128.97 1h2o s LYS 70 Ca 0.03 -0.82 -0.35 0.00 -0.36 0.00 0.00 55.97 54.47 1h2o s LYS 70 Cb -0.14 -3.94 -0.15 0.00 -1.51 0.00 0.00 37.83 32.09 1h2o s LYS 70 CO -0.02 -0.72 1.47 -0.89 -0.36 0.00 0.00 175.35 174.83 1h2o n ILE 71 N 5.25 0.04 -0.08 5.43 2.08 0.52 0.37 119.36 132.98 1h2o n ILE 71 Ca -0.10 -0.01 -0.14 0.00 0.56 0.00 0.00 62.75 63.06 1h2o n ILE 71 Cb 0.48 -1.25 -0.06 0.00 -0.75 0.00 0.00 39.64 38.06 1h2o n ILE 71 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1h2o n ASP 72 N 3.01 1.83 -3.49 4.38 2.03 0.55 0.74 116.55 125.60 1h2o n ASP 72 Ca 0.17 0.08 -0.11 0.00 0.52 0.00 0.00 54.79 55.46 1h2o n ASP 72 Cb 0.25 -0.36 -0.03 0.00 -0.72 0.00 0.00 41.12 40.26 1h2o n ASP 72 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1h2o s SER 73 N -5.99 -0.45 0.06 1.67 0.01 0.16 -4.67 113.70 104.49 1h2o s SER 73 Ca -0.21 0.13 -0.04 0.00 1.31 0.00 0.00 55.95 57.13 1h2o s SER 73 Cb 0.07 0.44 -0.02 0.00 0.21 0.00 0.00 66.02 66.72 1h2o s SER 73 CO 0.30 -0.67 0.07 -0.63 0.41 0.00 0.00 173.24 172.72 1h2o s ILE 74 N -2.81 0.17 -0.51 1.44 1.01 -1.26 -0.71 121.20 118.53 1h2o s ILE 74 Ca 0.01 -1.39 0.05 0.00 0.00 0.00 0.00 60.65 59.32 1h2o s ILE 74 Cb -0.01 -1.23 0.19 0.00 0.01 0.00 0.00 42.46 41.42 1h2o s ILE 74 CO -0.07 -0.77 0.44 0.47 0.00 0.00 0.00 174.94 175.02 1h2o n ASP 75 N 0.32 0.93 0.19 3.58 9.92 0.02 -4.92 116.55 126.59 1h2o n ASP 75 Ca -0.16 -2.74 0.13 0.00 -0.53 0.00 0.00 54.79 51.49 1h2o n ASP 75 Cb 0.60 -0.63 0.67 0.00 -0.64 0.00 0.00 41.12 41.13 1h2o n ASP 75 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1h2o h LYS 76 N 5.21 0.00 0.01 -1.24 1.57 -1.96 2.30 116.57 122.47 1h2o h LYS 76 Ca 0.20 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.66 1h2o h LYS 76 Cb 0.84 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.10 1h2o h LYS 76 CO 0.52 0.00 -1.95 0.39 -0.57 0.00 0.00 179.45 177.84 1h2o n GLU 77 N -2.39 0.66 0.00 3.15 1.02 -1.26 -4.24 120.64 117.57 1h2o n GLU 77 Ca -0.01 0.20 0.07 0.00 -0.02 0.00 0.00 57.16 57.40 1h2o n GLU 77 Cb 0.07 -1.70 -0.01 0.00 -0.02 0.00 0.00 31.44 29.77 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 -3.00 1.43 -2.70 1.62 3.02 -0.57 -5.00 115.26 110.06 1h2o n ASN 78 Ca -0.24 -1.21 -0.12 0.00 -0.03 0.00 0.00 54.58 52.98 1h2o n ASN 78 Cb 1.08 0.54 0.06 0.00 -0.61 0.00 0.00 39.78 40.85 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 -0.31 -1.54 -4.42 3.10 4.01 0.77 -4.07 117.16 114.69 1h2o n TYR 79 Ca 0.06 0.65 -0.27 0.00 -0.16 0.00 0.00 57.90 58.19 1h2o n TYR 79 Cb 0.30 -4.14 -0.12 0.00 -0.31 0.00 0.00 39.34 35.08 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 -3.92 3.43 -0.06 7.72 0.01 -0.94 -0.05 113.70 119.89 1h2o s SER 80 Ca 0.01 -0.88 -0.02 0.00 1.31 0.00 0.00 55.95 56.37 1h2o s SER 80 Cb -0.00 -0.25 0.04 0.00 0.21 0.00 0.00 66.02 66.01 1h2o s SER 80 CO 0.51 0.11 0.13 -0.47 0.41 0.00 0.00 173.24 173.93 1h2o s TYR 81 N -1.74 -0.13 -0.06 2.43 5.04 0.86 -0.80 117.35 122.94 1h2o s TYR 81 Ca 0.21 0.43 -0.01 0.00 -2.44 0.00 0.00 57.07 55.26 1h2o s TYR 81 Cb -0.08 -0.12 0.03 0.00 0.35 0.00 0.00 41.96 42.15 1h2o s TYR 81 CO 0.10 -0.16 0.01 -1.12 -1.34 0.00 0.00 175.55 173.05 1h2o s SER 82 N 1.19 1.47 0.32 4.32 0.01 0.11 0.23 113.70 121.35 1h2o s SER 82 Ca -0.09 -0.05 0.03 0.00 1.31 0.00 0.00 55.95 57.15 1h2o s SER 82 Cb -0.12 -0.38 -0.04 0.00 0.21 0.00 0.00 66.02 65.70 1h2o s SER 82 CO -0.05 -0.20 0.16 -0.72 0.41 0.00 0.00 173.24 172.83 1h2o s TYR 83 N 1.98 1.64 -0.10 2.43 1.13 0.03 0.37 117.35 124.82 1h2o s TYR 83 Ca 0.04 -1.36 0.03 0.00 -1.41 0.00 0.00 57.07 54.37 1h2o s TYR 83 Cb -0.12 -0.90 0.01 0.00 -1.10 0.00 0.00 41.96 39.85 1h2o s TYR 83 CO -0.05 -0.50 -0.18 0.99 -2.51 0.00 0.00 175.55 173.31 1h2o s THR 84 N -3.54 1.66 -0.08 -3.49 2.01 0.16 -0.54 115.64 111.83 1h2o s THR 84 Ca 0.35 -0.76 -0.13 0.00 0.31 0.00 0.00 61.69 61.45 1h2o s THR 84 Cb 0.05 -1.48 -0.05 0.00 0.01 0.00 0.00 72.50 71.02 1h2o s THR 84 CO 0.18 0.47 0.33 -0.22 -0.69 0.00 0.00 174.62 174.68 1h2o s LEU 85 N 0.74 4.38 0.00 4.42 2.96 -0.28 0.11 118.68 131.01 1h2o s LEU 85 Ca -0.11 0.73 0.00 0.00 -0.22 0.00 0.00 54.13 54.52 1h2o s LEU 85 Cb -0.16 -2.43 0.00 0.00 0.50 0.00 0.00 46.19 44.10 1h2o s LEU 85 CO 0.02 0.26 0.00 2.30 -1.32 0.00 0.00 176.35 177.61 1h2o n ILE 86 N 2.46 0.00 -4.45 6.68 -5.35 -0.76 -0.13 119.36 117.80 1h2o n ILE 86 Ca -0.14 -0.22 -0.24 0.00 -0.27 0.00 0.00 62.75 61.88 1h2o n ILE 86 Cb 0.53 0.73 -0.17 0.00 -1.74 0.00 0.00 39.64 38.99 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 -1.20 1.51 0.00 6.28 2.12 -1.25 -4.86 118.70 121.30 1h2o s GLU 87 Ca 0.00 -0.34 0.00 0.00 0.36 0.00 0.00 54.97 54.99 1h2o s GLU 87 Cb 0.00 -1.30 0.00 0.00 0.26 0.00 0.00 34.13 33.09 1h2o s GLU 87 CO 0.00 -0.01 0.00 0.41 -0.54 0.00 0.00 175.26 175.12 1h2o n GLY 88 N 3.94 1.07 0.12 -1.50 0.00 -1.26 -1.92 105.19 105.64 1h2o n GLY 88 Ca -0.23 0.37 0.08 0.00 0.00 0.00 0.00 46.02 46.25 1h2o n GLY 88 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1h2o n ASP 89 N 0.00 0.42 0.05 1.61 2.03 -1.26 -1.23 116.55 118.16 1h2o n ASP 89 Ca 0.00 0.69 -0.11 0.00 0.52 0.00 0.00 54.79 55.89 1h2o n ASP 89 Cb 0.00 -0.74 -0.13 0.00 -0.72 0.00 0.00 41.12 39.53 1h2o n ASP 89 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1h2o h ALA 90 N 1.95 0.41 0.00 -1.67 0.00 -1.97 -3.34 119.26 114.63 1h2o h ALA 90 Ca 0.00 -1.09 -0.22 0.00 0.00 0.00 0.00 54.91 53.60 1h2o h ALA 90 Cb 0.03 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1h2o h ALA 90 CO 0.00 1.27 -1.59 1.47 0.00 0.00 0.00 179.25 180.40 1h2o n LEU 91 N -3.32 0.79 0.13 0.00 -0.00 -0.36 -4.01 117.00 110.23 1h2o n LEU 91 Ca -0.09 0.36 0.07 0.00 -0.00 0.00 0.00 56.01 56.35 1h2o n LEU 91 Cb 1.00 0.13 0.54 0.00 -0.00 0.00 0.00 43.42 45.10 1h2o n LEU 91 CO 0.48 0.25 1.12 1.23 -0.00 0.00 0.00 177.39 180.47 1h2o h GLY 92 N 3.67 0.27 -0.45 1.47 0.00 -1.36 0.61 103.07 107.27 1h2o h GLY 92 Ca -0.23 -0.10 0.31 0.00 0.00 0.00 0.00 47.33 47.31 1h2o h GLY 92 CO 0.06 0.09 0.57 -0.55 0.00 0.00 0.00 176.54 176.71 1h2o h ASP 93 N 0.25 0.55 0.00 0.19 3.32 -1.70 -3.39 116.42 115.64 1h2o h ASP 93 Ca 0.08 0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.31 1h2o h ASP 93 Cb 0.03 0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1h2o h ASP 93 CO -0.02 -0.09 0.00 0.35 -1.72 0.00 0.00 179.24 177.76 1h2o n THR 94 N -5.02 0.00 -1.89 0.35 -2.24 -0.86 -5.04 114.28 99.58 1h2o n THR 94 Ca 0.31 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.79 1h2o n THR 94 Cb 0.94 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 69.24 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 -1.74 2.68 0.00 3.22 2.01 0.21 -3.60 118.68 121.46 1h2o s LEU 95 Ca 0.00 0.94 0.00 0.00 0.01 0.00 0.00 54.13 55.08 1h2o s LEU 95 Cb 0.00 -3.57 0.00 0.00 0.01 0.00 0.00 46.19 42.63 1h2o s LEU 95 CO 0.00 -1.65 0.00 1.21 1.01 0.00 0.00 176.35 176.92 1h2o n GLU 96 N -3.18 0.00 -2.80 1.70 2.13 0.62 -3.81 120.64 115.31 1h2o n GLU 96 Ca 0.07 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.53 1h2o n GLU 96 Cb 0.59 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.24 1h2o n GLU 96 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1h2o s LYS 97 N -0.23 4.53 0.02 5.31 1.02 -1.11 -4.67 119.74 124.61 1h2o s LYS 97 Ca 0.00 1.28 0.05 0.00 0.02 0.00 0.00 55.97 57.33 1h2o s LYS 97 Cb 0.00 -2.72 -0.02 0.00 -0.52 0.00 0.00 37.83 34.57 1h2o s LYS 97 CO 0.00 0.24 -0.16 0.42 -0.92 0.00 0.00 175.35 174.94 1h2o s ILE 98 N -1.69 1.24 -0.13 2.17 -1.09 0.82 -0.98 121.20 121.54 1h2o s ILE 98 Ca 0.52 -0.89 0.01 0.00 -2.23 0.00 0.00 60.65 58.06 1h2o s ILE 98 Cb -0.17 -1.08 -0.00 0.00 -1.58 0.00 0.00 42.46 39.62 1h2o s ILE 98 CO 0.22 0.17 -0.18 -0.44 -1.23 0.00 0.00 174.94 173.49 1h2o s SER 99 N -0.83 3.55 -0.06 3.58 0.01 -1.05 -1.12 113.70 117.78 1h2o s SER 99 Ca 0.04 -0.46 0.04 0.00 1.31 0.00 0.00 55.95 56.88 1h2o s SER 99 Cb -0.07 -1.52 -0.00 0.00 0.21 0.00 0.00 66.02 64.63 1h2o s SER 99 CO 0.01 0.13 -0.19 -0.31 0.41 0.00 0.00 173.24 173.29 1h2o s TYR 100 N 0.52 1.93 -0.02 2.43 2.02 0.30 0.04 117.35 124.57 1h2o s TYR 100 Ca -0.11 -0.61 0.00 0.00 -0.37 0.00 0.00 57.07 55.98 1h2o s TYR 100 Cb -0.16 -1.30 0.02 0.00 -0.40 0.00 0.00 41.96 40.11 1h2o s TYR 100 CO 0.04 -0.22 -0.00 -2.00 -1.57 0.00 0.00 175.55 171.80 1h2o s GLU 101 N 0.11 0.17 0.09 -0.62 2.12 0.26 -0.79 118.70 120.03 1h2o s GLU 101 Ca -0.07 0.05 0.04 0.00 0.36 0.00 0.00 54.97 55.35 1h2o s GLU 101 Cb -0.13 -0.30 -0.03 0.00 0.26 0.00 0.00 34.13 33.92 1h2o s GLU 101 CO 0.03 -0.08 -0.12 0.99 -0.54 0.00 0.00 175.26 175.55 1h2o s THR 102 N 0.63 1.04 -0.09 -1.70 2.01 0.63 0.11 115.64 118.27 1h2o s THR 102 Ca -0.06 -1.47 -0.08 0.00 0.31 0.00 0.00 61.69 60.39 1h2o s THR 102 Cb -0.09 -1.20 0.03 0.00 0.01 0.00 0.00 72.50 71.25 1h2o s THR 102 CO -0.01 -0.39 0.24 -0.54 -0.69 0.00 0.00 174.62 173.23 1h2o s LYS 103 N -2.24 0.27 0.16 4.92 1.02 0.72 -0.10 119.74 124.49 1h2o s LYS 103 Ca 0.02 0.37 0.11 0.00 0.02 0.00 0.00 55.97 56.49 1h2o s LYS 103 Cb -0.07 0.09 -0.04 0.00 -0.52 0.00 0.00 37.83 37.29 1h2o s LYS 103 CO 0.01 -0.06 -0.26 -0.51 -0.92 0.00 0.00 175.35 173.62 1h2o s LEU 104 N 0.34 2.38 0.00 3.17 1.43 0.93 0.22 118.68 127.15 1h2o s LEU 104 Ca -0.02 -0.81 0.00 0.00 -1.03 0.00 0.00 54.13 52.27 1h2o s LEU 104 Cb -0.03 -1.19 0.00 0.00 0.03 0.00 0.00 46.19 44.99 1h2o s LEU 104 CO -0.01 0.15 0.00 0.52 0.23 0.00 0.00 176.35 177.24 1h2o n VAL 105 N 0.59 0.00 -4.45 -1.59 0.31 0.53 -4.57 118.33 109.15 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 0.54 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.37 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 -1.57 2.47 0.38 3.52 0.00 -1.26 -1.20 121.76 124.10 1h2o s ALA 106 Ca 0.00 -1.90 0.06 0.00 0.00 0.00 0.00 51.96 50.12 1h2o s ALA 106 Cb 0.00 0.04 -0.07 0.00 0.00 0.00 0.00 23.12 23.09 1h2o s ALA 106 CO 0.00 0.02 0.02 -1.54 0.00 0.00 0.00 175.76 174.26 1h2o s SER 107 N -3.47 3.41 0.00 0.00 1.04 -0.52 -4.40 113.70 109.76 1h2o s SER 107 Ca 0.29 -1.36 0.19 0.00 0.48 0.00 0.00 55.95 55.55 1h2o s SER 107 Cb 0.02 -0.30 0.84 0.00 0.10 0.00 0.00 66.02 66.68 1h2o s SER 107 CO 0.12 -0.48 1.60 -0.81 0.98 0.00 0.00 173.24 174.65 1h2o n PRO 108 N -0.87 0.06 -0.31 4.02 -0.04 -1.26 -2.44 135.00 134.16 1h2o n PRO 108 Ca -0.04 0.16 0.10 0.00 -0.04 0.00 0.00 63.50 63.68 1h2o n PRO 108 Cb 0.67 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.90 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 -1.45 3.64 0.00 3.54 3.41 -1.26 -4.94 113.62 116.56 1h2o n SER 109 Ca 0.06 -1.99 0.00 0.00 -0.26 0.00 0.00 58.87 56.67 1h2o n SER 109 Cb 0.20 -0.40 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 1.34 2.56 1.95 5.00 0.00 -1.02 -5.02 105.19 109.99 1h2o n GLY 110 Ca 0.21 -0.60 -0.12 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.27 2.97 -0.02 0.00 -1.26 -4.52 105.19 100.09 1h2o n GLY 111 Ca 0.00 -0.74 -0.19 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.00 0.99 0.23 1.61 1.04 0.41 -1.44 113.70 114.54 1h2o s SER 112 Ca 0.26 -0.15 -0.13 0.00 0.48 0.00 0.00 55.95 56.40 1h2o s SER 112 Cb -0.05 -0.26 -0.08 0.00 0.10 0.00 0.00 66.02 65.73 1h2o s SER 112 CO 0.21 0.04 0.62 -0.63 0.98 0.00 0.00 173.24 174.47 1h2o s ILE 113 N 0.23 4.80 -0.09 -1.02 1.01 -0.34 0.20 121.20 126.00 1h2o s ILE 113 Ca -0.03 0.79 -0.00 0.00 0.00 0.00 0.00 60.65 61.40 1h2o s ILE 113 Cb -0.08 -3.67 0.02 0.00 0.01 0.00 0.00 42.46 38.74 1h2o s ILE 113 CO 0.00 0.02 -0.05 -0.63 0.00 0.00 0.00 174.94 174.28 1h2o s ILE 114 N -1.73 0.78 -0.16 2.92 1.01 0.42 0.20 121.20 124.63 1h2o s ILE 114 Ca 0.46 -0.15 -0.03 0.00 0.00 0.00 0.00 60.65 60.92 1h2o s ILE 114 Cb -0.13 -0.83 -0.02 0.00 0.01 0.00 0.00 42.46 41.49 1h2o s ILE 114 CO 0.20 0.32 -0.05 -0.75 0.00 0.00 0.00 174.94 174.66 1h2o s LYS 115 N 1.62 3.60 0.13 2.79 2.20 0.61 -0.79 119.74 129.90 1h2o s LYS 115 Ca 0.02 -0.55 0.08 0.00 -0.36 0.00 0.00 55.97 55.16 1h2o s LYS 115 Cb -0.13 -2.90 -0.04 0.00 -1.51 0.00 0.00 37.83 33.26 1h2o s LYS 115 CO -0.05 0.18 -0.20 0.45 -0.36 0.00 0.00 175.35 175.37 1h2o s SER 116 N 0.51 2.63 -0.18 1.43 0.15 0.91 0.26 113.70 119.42 1h2o s SER 116 Ca -0.04 -0.77 -0.13 0.00 0.70 0.00 0.00 55.95 55.71 1h2o s SER 116 Cb -0.14 -0.15 0.05 0.00 -1.71 0.00 0.00 66.02 64.07 1h2o s SER 116 CO 0.03 0.02 0.45 -0.89 1.20 0.00 0.00 173.24 174.05 1h2o s THR 117 N -1.57 -0.01 0.10 6.45 2.01 0.31 -0.06 115.64 122.88 1h2o s THR 117 Ca 0.11 0.04 0.03 0.00 0.31 0.00 0.00 61.69 62.18 1h2o s THR 117 Cb -0.08 -0.64 -0.04 0.00 0.01 0.00 0.00 72.50 71.75 1h2o s THR 117 CO 0.05 0.02 -0.09 -0.44 -0.69 0.00 0.00 174.62 173.47 1h2o s SER 118 N 0.85 1.42 0.20 3.53 0.01 0.23 0.90 113.70 120.84 1h2o s SER 118 Ca -0.05 -0.86 -0.02 0.00 1.31 0.00 0.00 55.95 56.33 1h2o s SER 118 Cb -0.06 0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.16 1h2o s SER 118 CO -0.07 -0.30 0.15 -1.00 0.41 0.00 0.00 173.24 172.43 1h2o s HIS 119 N -2.71 1.11 0.14 2.43 3.76 0.11 -1.17 115.29 118.94 1h2o s HIS 119 Ca 0.07 -1.34 0.06 0.00 -0.15 0.00 0.00 55.06 53.70 1h2o s HIS 119 Cb -0.01 -0.51 -0.04 0.00 1.11 0.00 0.00 32.58 33.13 1h2o s HIS 119 CO -0.01 -0.66 -0.13 0.71 -0.85 0.00 0.00 174.74 173.80 1h2o s TYR 120 N -4.15 1.39 -0.33 1.40 1.51 -1.11 -2.53 117.35 113.53 1h2o s TYR 120 Ca 0.38 -0.60 -0.01 0.00 -1.01 0.00 0.00 57.07 55.83 1h2o s TYR 120 Cb 0.06 -0.71 0.11 0.00 -0.11 0.00 0.00 41.96 41.31 1h2o s TYR 120 CO 0.12 0.15 0.15 -1.01 -1.11 0.00 0.00 175.55 173.84 1h2o s HIS 121 N -2.49 1.21 0.87 2.71 3.76 -0.15 -2.20 115.29 119.00 1h2o s HIS 121 Ca 0.12 -1.59 -0.10 0.00 -0.15 0.00 0.00 55.06 53.33 1h2o s HIS 121 Cb -0.03 -1.39 0.12 0.00 1.11 0.00 0.00 32.58 32.39 1h2o s HIS 121 CO 0.03 -0.84 1.12 0.95 -0.85 0.00 0.00 174.74 175.14 1h2o s THR 122 N 1.46 2.56 -0.51 1.30 -4.23 -1.18 -0.27 115.64 114.78 1h2o s THR 122 Ca 0.12 0.18 0.04 0.00 -1.18 0.00 0.00 61.69 60.85 1h2o s THR 122 Cb -0.19 -2.41 0.13 0.00 1.34 0.00 0.00 72.50 71.37 1h2o s THR 122 CO -0.20 -0.24 0.25 -0.75 -0.54 0.00 0.00 174.62 173.14 1h2o s LYS 123 N -4.75 1.97 0.00 3.99 2.20 -1.24 -4.67 119.74 117.24 1h2o s LYS 123 Ca 0.65 -2.56 0.00 0.00 -0.36 0.00 0.00 55.97 53.70 1h2o s LYS 123 Cb -0.20 -3.33 0.00 0.00 -1.51 0.00 0.00 37.83 32.78 1h2o s LYS 123 CO 0.57 -1.10 0.00 0.41 -0.36 0.00 0.00 175.35 174.88 1h2o n GLY 124 N 3.23 1.12 2.58 5.54 0.00 -1.26 -4.75 105.19 111.65 1h2o n GLY 124 Ca 0.05 -0.98 -0.27 0.00 0.00 0.00 0.00 46.02 44.82 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 0.91 -3.18 1.61 5.15 -1.26 -5.09 115.26 113.40 1h2o n ASN 125 Ca 0.00 -2.71 -0.16 0.00 -0.60 0.00 0.00 54.58 51.11 1h2o n ASN 125 Cb 0.00 -0.63 -0.05 0.00 -0.53 0.00 0.00 39.78 38.57 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 -0.57 0.00 0.23 3.44 -7.23 -1.26 -5.19 120.40 109.82 1h2o s VAL 126 Ca 0.30 -1.67 -0.18 0.00 -1.81 0.00 0.00 61.98 58.63 1h2o s VAL 126 Cb 0.01 -2.65 0.02 0.00 0.56 0.00 0.00 36.38 34.32 1h2o s VAL 126 CO -0.19 0.00 0.57 -1.61 -0.31 0.00 0.00 175.10 173.56 1h2o s GLU 127 N -3.02 1.52 0.69 4.82 2.02 -1.26 -4.85 118.70 118.62 1h2o s GLU 127 Ca 0.33 -0.97 -0.04 0.00 0.02 0.00 0.00 54.97 54.31 1h2o s GLU 127 Cb -0.00 0.54 0.08 0.00 0.10 0.00 0.00 34.13 34.84 1h2o s GLU 127 CO 0.23 -0.66 0.97 0.42 0.02 0.00 0.00 175.26 176.23 1h2o s ILE 128 N -3.91 2.33 -0.17 -1.63 1.09 -1.26 -4.76 121.20 112.88 1h2o s ILE 128 Ca 0.12 -0.43 -0.03 0.00 -1.10 0.00 0.00 60.65 59.21 1h2o s ILE 128 Cb -0.02 -2.89 -0.02 0.00 -1.06 0.00 0.00 42.46 38.46 1h2o s ILE 128 CO 0.02 0.00 -0.05 -0.54 -0.10 0.00 0.00 174.94 174.27 1h2o s LYS 129 N -5.14 3.56 0.24 2.79 1.02 -1.26 -5.00 119.74 115.96 1h2o s LYS 129 Ca 0.62 -0.57 -0.10 0.00 0.02 0.00 0.00 55.97 55.94 1h2o s LYS 129 Cb -0.09 -2.90 0.37 0.00 -0.52 0.00 0.00 37.83 34.70 1h2o s LYS 129 CO 0.43 0.13 1.61 0.93 -0.92 0.00 0.00 175.35 177.54 1h2o h GLU 130 N 7.04 0.02 -0.04 1.68 5.08 -1.98 2.11 114.58 128.49 1h2o h GLU 130 Ca -0.32 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.05 1h2o h GLU 130 Cb 1.19 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 1h2o h GLU 130 CO 0.61 0.02 0.37 1.49 -1.00 0.00 0.00 179.01 180.49 1h2o h GLU 131 N 0.02 0.00 0.00 2.33 4.81 -1.96 0.66 114.58 120.44 1h2o h GLU 131 Ca 0.39 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 1h2o h GLU 131 Cb 0.64 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.02 1h2o h GLU 131 CO -0.78 0.00 -0.23 1.25 -0.73 0.00 0.00 179.01 178.53 1h2o h HIS 132 N 0.00 0.00 -0.87 0.92 2.76 0.30 -2.63 115.15 115.64 1h2o h HIS 132 Ca 0.02 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.20 1h2o h HIS 132 Cb 0.76 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.67 1h2o h HIS 132 CO 0.00 0.00 0.57 -0.24 -1.30 0.00 0.00 177.93 176.96 1h2o h VAL 133 N -0.63 1.21 -0.14 5.26 3.04 -1.01 0.25 116.25 124.23 1h2o h VAL 133 Ca 0.00 -0.40 -0.06 0.00 -1.01 0.00 0.00 66.70 65.23 1h2o h VAL 133 Cb 0.23 -0.05 -0.00 0.00 -2.01 0.00 0.00 31.29 29.45 1h2o h VAL 133 CO 0.00 0.21 -0.13 0.11 -1.01 0.00 0.00 177.57 176.75 1h2o h LYS 134 N 1.16 0.33 -0.05 4.17 1.57 0.14 -2.47 116.57 121.43 1h2o h LYS 134 Ca 0.32 -0.17 -0.06 0.00 -1.87 0.00 0.00 60.65 58.87 1h2o h LYS 134 Cb -0.12 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1h2o h LYS 134 CO -0.07 0.72 -0.25 0.00 -0.57 0.00 0.00 179.45 179.27 1h2o h ALA 135 N 0.61 1.49 -0.13 3.86 0.00 -1.08 -2.21 119.26 121.80 1h2o h ALA 135 Ca 0.02 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 1h2o h ALA 135 Cb 0.65 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1h2o h ALA 135 CO 0.03 0.38 -0.37 0.78 0.00 0.00 0.00 179.25 180.07 1h2o h GLY 136 N 0.85 0.30 1.62 0.00 0.00 -0.38 -1.36 103.07 104.11 1h2o h GLY 136 Ca 0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 1h2o h GLY 136 CO 0.04 0.25 0.13 0.50 0.00 0.00 0.00 176.54 177.45 1h2o h LYS 137 N 0.24 0.49 0.08 4.80 1.57 -0.92 0.17 116.57 123.00 1h2o h LYS 137 Ca 0.03 -0.06 -0.28 0.00 -1.87 0.00 0.00 60.65 58.46 1h2o h LYS 137 Cb 0.77 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 1h2o h LYS 137 CO 0.06 0.42 -1.43 1.49 -0.57 0.00 0.00 179.45 179.43 1h2o h GLU 138 N 0.49 0.17 -0.14 3.15 4.81 -1.46 -2.64 114.58 118.96 1h2o h GLU 138 Ca 0.12 -0.29 -0.15 0.00 -0.13 0.00 0.00 59.36 58.92 1h2o h GLU 138 Cb 0.12 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1h2o h GLU 138 CO -0.01 1.02 -0.54 0.87 -0.73 0.00 0.00 179.01 179.61 1h2o h LYS 139 N 0.05 0.41 0.06 1.92 1.57 -0.80 -2.41 116.57 117.37 1h2o h LYS 139 Ca -0.19 -0.25 -0.27 0.00 -1.87 0.00 0.00 60.65 58.06 1h2o h LYS 139 Cb 1.96 0.03 0.02 0.00 0.08 0.00 0.00 32.23 34.32 1h2o h LYS 139 CO 0.15 0.85 -1.09 0.00 -0.57 0.00 0.00 179.45 178.78 1h2o h ALA 140 N 1.10 0.05 -0.90 3.86 0.00 -0.77 -3.15 119.26 119.46 1h2o h ALA 140 Ca 0.01 -0.72 -0.01 0.00 0.00 0.00 0.00 54.91 54.19 1h2o h ALA 140 Cb 1.05 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1h2o h ALA 140 CO 0.09 0.64 0.53 1.03 0.00 0.00 0.00 179.25 181.55 1h2o h SER 141 N 0.26 1.08 -0.49 0.00 0.87 -1.45 -2.37 113.55 111.46 1h2o h SER 141 Ca -0.15 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 1h2o h SER 141 Cb 1.77 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 63.43 1h2o h SER 141 CO 0.21 0.83 0.31 0.78 -0.53 0.00 0.00 176.83 178.43 1h2o h ASN 142 N 1.24 0.57 -1.01 6.23 2.35 -1.47 -2.22 115.58 121.27 1h2o h ASN 142 Ca 0.32 -0.04 0.02 0.00 -0.55 0.00 0.00 56.30 56.05 1h2o h ASN 142 Cb -0.04 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 38.13 1h2o h ASN 142 CO -0.06 0.44 0.67 -0.07 -1.65 0.00 0.00 177.43 176.75 1h2o h LEU 143 N 0.65 1.14 -0.90 1.61 3.38 -1.40 -1.92 115.31 117.87 1h2o h LEU 143 Ca 0.18 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1h2o h LEU 143 Cb -0.04 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.39 1h2o h LEU 143 CO -0.04 0.82 0.53 -0.26 0.09 0.00 0.00 178.44 179.58 1h2o h PHE 144 N 1.35 1.21 0.00 1.13 0.04 -0.93 -0.42 116.94 119.31 1h2o h PHE 144 Ca 0.38 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.14 1h2o h PHE 144 Cb -0.12 -0.39 0.00 0.00 2.20 0.00 0.00 35.95 37.64 1h2o h PHE 144 CO -0.00 0.81 0.00 1.63 -0.60 0.00 0.00 178.31 180.15 1h2o n LYS 145 N -4.37 0.17 0.07 1.51 5.02 -0.76 -2.24 118.16 117.56 1h2o n LYS 145 Ca 0.10 0.39 -0.18 0.00 -2.02 0.00 0.00 58.31 56.59 1h2o n LYS 145 Cb 0.07 -1.81 -0.14 0.00 -0.02 0.00 0.00 35.03 33.12 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 0.47 -0.17 -0.35 3.38 -0.61 -3.04 115.31 114.99 1h2o h LEU 146 Ca 0.00 -0.63 -0.05 0.00 0.09 0.00 0.00 57.88 57.30 1h2o h LEU 146 Cb 0.36 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1h2o h LEU 146 CO 0.00 1.52 -0.08 0.40 0.09 0.00 0.00 178.44 180.37 1h2o h ILE 147 N 0.08 1.31 -0.70 1.22 2.04 -1.09 0.16 117.51 120.53 1h2o h ILE 147 Ca -0.25 -1.12 0.11 0.00 1.00 0.00 0.00 64.86 64.60 1h2o h ILE 147 Cb 2.04 1.70 -0.08 0.00 -0.74 0.00 0.00 36.82 39.74 1h2o h ILE 147 CO 0.18 0.33 0.30 -0.33 0.00 0.00 0.00 178.15 178.63 1h2o h GLU 148 N 0.03 0.48 -0.32 2.37 5.08 -1.56 -0.90 114.58 119.75 1h2o h GLU 148 Ca 0.04 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.21 1h2o h GLU 148 Cb 0.55 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 1h2o h GLU 148 CO 0.02 0.32 -0.40 1.15 -1.00 0.00 0.00 179.01 179.10 1h2o h THR 149 N 0.49 1.28 -0.92 1.13 2.02 -1.39 -2.10 112.91 113.43 1h2o h THR 149 Ca 0.36 -1.58 0.26 0.00 0.77 0.00 0.00 66.41 66.21 1h2o h THR 149 Cb 0.47 1.53 -0.16 0.00 -1.74 0.00 0.00 68.15 68.24 1h2o h THR 149 CO -0.33 0.52 0.15 0.22 0.37 0.00 0.00 175.52 176.45 1h2o h TYR 150 N 0.63 0.18 0.11 3.16 3.20 0.75 0.62 116.97 125.63 1h2o h TYR 150 Ca 0.04 0.06 -0.15 0.00 3.14 0.00 0.00 58.73 61.82 1h2o h TYR 150 Cb 1.00 0.07 0.02 0.00 1.54 0.00 0.00 36.73 39.36 1h2o h TYR 150 CO 0.07 -0.32 -0.66 -0.07 -1.64 0.00 0.00 178.16 175.54 1h2o h LEU 151 N 0.10 0.38 -1.55 2.82 3.38 -1.38 0.69 115.31 119.74 1h2o h LEU 151 Ca 0.58 -0.96 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1h2o h LEU 151 Cb 1.21 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1h2o h LEU 151 CO -0.77 1.32 0.01 0.50 0.09 0.00 0.00 178.44 179.58 1h2o h LYS 152 N -0.50 0.00 0.00 1.13 3.64 -0.37 -2.11 116.57 118.36 1h2o h LYS 152 Ca -0.12 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.13 1h2o h LYS 152 Cb 1.52 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.31 1h2o h LYS 152 CO 0.12 0.00 -1.53 0.41 -2.27 0.00 0.00 179.45 176.18 1h2o n GLY 153 N -1.28 -0.38 3.09 5.01 0.00 0.20 -4.86 105.19 106.96 1h2o n GLY 153 Ca -0.02 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.19 3.51 -2.00 1.61 3.76 0.24 -4.92 115.29 115.30 1h2o s HIS 154 Ca -0.04 -2.64 0.09 0.00 -0.15 0.00 0.00 55.06 52.32 1h2o s HIS 154 Cb 0.02 -3.15 0.52 0.00 1.11 0.00 0.00 32.58 31.08 1h2o s HIS 154 CO 0.32 -0.91 1.08 -0.35 -0.85 0.00 0.00 174.74 174.03 1h2o n PRO 155 N 4.07 0.68 0.00 8.40 -0.04 -1.24 -2.50 135.00 144.36 1h2o n PRO 155 Ca 0.02 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.54 1h2o n PRO 155 Cb 0.39 -1.20 -0.03 0.00 -0.04 0.00 0.00 33.50 32.62 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 -0.70 1.03 -4.56 3.54 8.00 -1.26 -4.47 116.55 118.13 1h2o n ASP 156 Ca 0.07 -1.01 -0.40 0.00 0.71 0.00 0.00 54.79 54.15 1h2o n ASP 156 Cb 0.03 0.72 -0.03 0.00 -0.02 0.00 0.00 41.12 41.82 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 -1.89 2.60 -0.37 2.24 0.00 -1.04 -4.06 121.76 119.23 1h2o s ALA 157 Ca 0.08 -0.92 -0.05 0.00 0.00 0.00 0.00 51.96 51.08 1h2o s ALA 157 Cb 0.10 -4.22 0.05 0.00 0.00 0.00 0.00 23.12 19.05 1h2o s ALA 157 CO 0.42 -3.35 0.12 2.48 0.00 0.00 0.00 175.76 175.42 1h2o n TYR 158 N 10.47 -1.31 -0.44 0.00 4.11 -1.26 -4.97 117.16 123.76 1h2o n TYR 158 Ca 0.11 0.14 0.00 0.00 -0.00 0.00 0.00 57.90 58.15 1h2o n TYR 158 Cb 0.50 -0.90 0.00 0.00 -0.00 0.00 0.00 39.34 38.93 1h2o n TYR 158 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.86 175.15