#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 4.42 0.76 1.61 0.11 -1.26 -4.26 120.40 121.78 1h2o s VAL 2 Ca 0.00 1.44 -0.05 0.00 -2.93 0.00 0.00 61.98 60.43 1h2o s VAL 2 Cb 0.00 -3.62 0.12 0.00 -1.53 0.00 0.00 36.38 31.35 1h2o s VAL 2 CO 0.00 -0.39 1.06 -0.36 -3.33 0.00 0.00 175.10 172.08 1h2o s PHE 3 N -2.27 1.99 -0.28 1.54 0.08 -0.25 -4.85 117.98 113.96 1h2o s PHE 3 Ca 0.61 0.05 -0.01 0.00 0.12 0.00 0.00 56.93 57.70 1h2o s PHE 3 Cb -0.09 -3.28 0.13 0.00 -0.57 0.00 0.00 43.02 39.21 1h2o s PHE 3 CO 0.17 -1.79 0.30 0.99 -0.10 0.00 0.00 175.22 174.78 1h2o s THR 4 N -3.31 -0.42 -0.16 0.64 2.01 -1.26 -3.25 115.64 109.89 1h2o s THR 4 Ca 0.66 -0.40 -0.02 0.00 0.31 0.00 0.00 61.69 62.24 1h2o s THR 4 Cb -0.07 -0.94 -0.01 0.00 0.01 0.00 0.00 72.50 71.49 1h2o s THR 4 CO 0.46 -0.40 -0.09 -0.31 -0.69 0.00 0.00 174.62 173.59 1h2o s TYR 5 N 2.38 2.89 0.50 4.92 2.02 -0.65 -4.99 117.35 124.42 1h2o s TYR 5 Ca 0.09 -0.67 0.06 0.00 -0.37 0.00 0.00 57.07 56.18 1h2o s TYR 5 Cb -0.14 -1.94 0.01 0.00 -0.40 0.00 0.00 41.96 39.49 1h2o s TYR 5 CO -0.29 -0.28 0.33 -2.00 -1.57 0.00 0.00 175.55 171.75 1h2o s GLU 6 N 0.66 2.29 0.23 -0.62 2.12 -1.26 -0.89 118.70 121.22 1h2o s GLU 6 Ca -0.05 -1.93 -0.18 0.00 0.36 0.00 0.00 54.97 53.17 1h2o s GLU 6 Cb -0.15 -2.09 0.02 0.00 0.26 0.00 0.00 34.13 32.17 1h2o s GLU 6 CO 0.02 -0.44 0.58 0.45 -0.54 0.00 0.00 175.26 175.34 1h2o s SER 7 N -4.16 -0.26 -0.23 -1.70 0.15 0.28 -4.93 113.70 102.85 1h2o s SER 7 Ca 0.36 -0.55 -0.15 0.00 0.70 0.00 0.00 55.95 56.31 1h2o s SER 7 Cb -0.01 0.63 0.07 0.00 -1.71 0.00 0.00 66.02 65.00 1h2o s SER 7 CO 0.22 -1.15 0.58 -0.70 1.20 0.00 0.00 173.24 173.38 1h2o s GLU 8 N -3.90 0.61 0.23 5.44 2.12 -1.26 -2.31 118.70 119.62 1h2o s GLU 8 Ca 0.11 1.00 -0.06 0.00 0.36 0.00 0.00 54.97 56.38 1h2o s GLU 8 Cb -0.02 0.13 0.02 0.00 0.26 0.00 0.00 34.13 34.52 1h2o s GLU 8 CO 0.01 -0.14 0.40 1.97 -0.54 0.00 0.00 175.26 176.97 1h2o n PHE 9 N 3.94 -1.54 -4.41 5.30 -1.74 -0.69 -5.00 117.46 113.32 1h2o n PHE 9 Ca -0.20 -1.21 -0.23 0.00 -0.56 0.00 0.00 57.45 55.25 1h2o n PHE 9 Cb 0.57 0.47 -0.08 0.00 1.52 0.00 0.00 39.48 41.96 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 -2.54 0.29 -0.27 1.97 -4.23 -1.26 0.12 115.64 109.72 1h2o s THR 10 Ca 0.12 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.39 1h2o s THR 10 Cb -0.02 -2.39 0.07 0.00 1.34 0.00 0.00 72.50 71.50 1h2o s THR 10 CO 0.09 0.00 0.72 -0.94 -0.54 0.00 0.00 174.62 173.95 1h2o s SER 11 N -3.51 -0.77 0.38 3.99 1.04 0.41 -4.81 113.70 110.43 1h2o s SER 11 Ca 0.31 1.46 0.13 0.00 0.48 0.00 0.00 55.95 58.32 1h2o s SER 11 Cb 0.02 1.46 0.75 0.00 0.10 0.00 0.00 66.02 68.36 1h2o s SER 11 CO 0.21 -0.25 1.84 -0.33 0.98 0.00 0.00 173.24 175.69 1h2o h GLU 12 N 5.19 0.00 -7.12 4.02 5.08 -1.92 1.16 114.58 120.98 1h2o h GLU 12 Ca -0.29 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.57 1h2o h GLU 12 Cb 1.17 0.00 0.07 0.00 0.50 0.00 0.00 28.75 30.48 1h2o h GLU 12 CO 0.06 0.35 0.40 0.42 -1.00 0.00 0.00 179.01 179.24 1h2o s ILE 13 N -4.22 3.43 0.37 3.13 1.09 -1.26 -4.52 121.20 119.23 1h2o s ILE 13 Ca -0.03 0.81 -0.27 0.00 -1.10 0.00 0.00 60.65 60.06 1h2o s ILE 13 Cb 0.14 -3.30 -0.09 0.00 -1.06 0.00 0.00 42.46 38.15 1h2o s ILE 13 CO 0.72 -0.27 1.30 -2.16 -0.10 0.00 0.00 174.94 174.42 1h2o s PRO 14 N -3.57 4.13 0.25 2.79 0.04 -1.26 -4.20 135.00 133.19 1h2o s PRO 14 Ca 0.69 2.17 0.09 0.00 0.04 0.00 0.00 61.00 63.98 1h2o s PRO 14 Cb -0.20 -2.88 0.27 0.00 0.04 0.00 0.00 34.50 31.73 1h2o s PRO 14 CO 0.30 -0.36 1.56 -1.00 0.04 0.00 0.00 177.00 177.54 1h2o h PRO 15 N 2.96 0.03 0.00 0.56 0.13 -1.92 -2.75 132.00 131.01 1h2o h PRO 15 Ca -0.49 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.59 1h2o h PRO 15 Cb 1.24 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1h2o h PRO 15 CO 0.64 0.69 -0.10 -1.00 -0.23 0.00 0.00 178.00 178.00 1h2o h PRO 16 N 0.02 0.00 0.08 1.56 0.13 -1.94 0.19 132.00 132.04 1h2o h PRO 16 Ca -0.01 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.91 1h2o h PRO 16 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1h2o h PRO 16 CO 0.09 0.10 -1.05 0.00 -0.23 0.00 0.00 178.00 176.90 1h2o h ARG 17 N 0.00 0.17 0.00 0.86 3.08 -1.94 -2.78 114.38 113.77 1h2o h ARG 17 Ca -0.00 -0.28 -0.08 0.00 0.07 0.00 0.00 59.98 59.68 1h2o h ARG 17 Cb 0.66 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 1h2o h ARG 17 CO 0.01 1.14 -0.39 1.25 -1.07 0.00 0.00 179.97 180.91 1h2o h LEU 18 N -0.56 0.00 0.48 3.04 6.46 -1.43 -2.59 115.31 120.70 1h2o h LEU 18 Ca -0.24 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.50 1h2o h LEU 18 Cb 1.53 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.46 1h2o h LEU 18 CO 0.01 0.39 -0.23 0.15 -0.62 0.00 0.00 178.44 178.14 1h2o h PHE 19 N 0.00 -0.60 -1.04 1.25 3.57 -0.71 0.17 116.94 119.59 1h2o h PHE 19 Ca -0.00 -0.01 0.27 0.00 3.53 0.00 0.00 57.97 61.75 1h2o h PHE 19 Cb 0.69 0.20 -0.10 0.00 2.79 0.00 0.00 35.95 39.53 1h2o h PHE 19 CO 0.00 -0.27 0.67 0.87 -2.23 0.00 0.00 178.31 177.34 1h2o h LYS 20 N -0.99 0.39 -0.05 1.11 1.57 -1.41 0.20 116.57 117.39 1h2o h LYS 20 Ca -0.07 -0.02 -0.17 0.00 -1.87 0.00 0.00 60.65 58.52 1h2o h LYS 20 Cb 0.59 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.82 1h2o h LYS 20 CO 0.11 0.26 -0.62 0.00 -0.57 0.00 0.00 179.45 178.62 1h2o h ALA 21 N 1.63 0.15 -0.08 3.86 0.00 -1.23 0.93 119.26 124.51 1h2o h ALA 21 Ca 0.61 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1h2o h ALA 21 Cb 1.50 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 1h2o h ALA 21 CO -0.32 0.42 -0.04 0.35 0.00 0.00 0.00 179.25 179.66 1h2o h PHE 22 N 0.09 0.20 0.00 0.00 3.57 0.17 0.13 116.94 121.10 1h2o h PHE 22 Ca -0.06 -0.05 -0.38 0.00 3.53 0.00 0.00 57.97 61.01 1h2o h PHE 22 Cb 1.30 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.93 1h2o h PHE 22 CO 0.12 0.55 -2.25 0.28 -2.23 0.00 0.00 178.31 174.78 1h2o n VAL 23 N -4.75 1.51 1.78 1.41 0.31 0.45 -3.07 118.33 115.97 1h2o n VAL 23 Ca -0.07 -0.29 0.14 0.00 -0.01 0.00 0.00 64.34 64.12 1h2o n VAL 23 Cb 0.26 -1.96 0.84 0.00 -0.91 0.00 0.00 33.84 32.08 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 -4.27 0.00 -1.29 7.52 4.32 -0.17 -3.77 117.00 119.34 1h2o n LEU 24 Ca -0.47 0.00 -0.04 0.00 -0.02 0.00 0.00 56.01 55.49 1h2o n LEU 24 Cb 0.81 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.58 1h2o n LEU 24 CO 0.06 0.00 0.28 -0.67 -1.22 0.00 0.00 177.39 175.84 1h2o n ASP 25 N -1.00 -0.43 0.19 -1.43 2.03 0.30 -4.83 116.55 111.39 1h2o n ASP 25 Ca 0.21 -2.01 0.03 0.00 0.52 0.00 0.00 54.79 53.54 1h2o n ASP 25 Cb 0.10 0.14 0.38 0.00 -0.72 0.00 0.00 41.12 41.02 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 0.40 1.38 0.00 -1.67 0.00 -0.67 0.72 119.26 119.42 1h2o h ALA 26 Ca -0.46 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.13 1h2o h ALA 26 Cb 1.53 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1h2o h ALA 26 CO -0.17 0.44 0.00 -0.44 0.00 0.00 0.00 179.25 179.08 1h2o h ASP 27 N 0.00 0.00 0.00 0.00 3.32 -1.87 -2.91 116.42 114.96 1h2o h ASP 27 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1h2o h ASP 27 Cb 0.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1h2o h ASP 27 CO 0.05 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.16 1h2o n ASN 28 N -2.39 1.40 -0.14 6.45 3.02 -0.76 -4.57 115.26 118.27 1h2o n ASN 28 Ca 0.02 -1.69 -0.28 0.00 -0.03 0.00 0.00 54.58 52.59 1h2o n ASN 28 Cb 0.23 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.30 1h2o n ASN 28 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1h2o n LEU 29 N -0.35 2.05 -0.01 3.41 7.99 0.17 -4.04 117.00 126.23 1h2o n LEU 29 Ca 0.00 0.28 -0.18 0.00 -0.01 0.00 0.00 56.01 56.10 1h2o n LEU 29 Cb 0.32 -0.82 -0.09 0.00 -0.11 0.00 0.00 43.42 42.72 1h2o n LEU 29 CO 0.00 0.61 0.26 0.58 -1.51 0.00 0.00 177.39 177.33 1h2o h VAL 30 N -0.86 1.34 0.00 4.08 2.07 -1.81 0.51 116.25 121.57 1h2o h VAL 30 Ca -0.68 -2.00 0.00 0.00 0.82 0.00 0.00 66.70 64.84 1h2o h VAL 30 Cb 1.64 2.27 0.00 0.00 -1.52 0.00 0.00 31.29 33.68 1h2o h VAL 30 CO -0.38 0.61 0.00 -0.81 0.02 0.00 0.00 177.57 177.01 1h2o n PRO 31 N -4.08 0.91 0.00 1.57 -0.04 -1.26 -2.10 135.00 129.99 1h2o n PRO 31 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1h2o n PRO 31 Cb 0.71 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 33.12 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 -0.55 0.70 0.14 0.54 5.02 -1.16 -4.67 118.16 118.19 1h2o n LYS 32 Ca 0.02 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.07 1h2o n LYS 32 Cb 0.01 -0.82 -0.16 0.00 -0.02 0.00 0.00 35.03 34.04 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 1.30 -1.44 -0.18 2.04 -0.94 -3.44 117.51 114.85 1h2o h ILE 33 Ca 0.00 -2.74 -0.10 0.00 1.00 0.00 0.00 64.86 63.02 1h2o h ILE 33 Cb 0.64 3.04 -0.26 0.00 -0.74 0.00 0.00 36.82 39.51 1h2o h ILE 33 CO 0.00 0.82 -0.47 0.00 0.00 0.00 0.00 178.15 178.50 1h2o s ALA 34 N -2.61 -1.66 -1.92 1.87 0.00 -0.89 -4.99 121.76 111.57 1h2o s ALA 34 Ca -0.08 0.56 0.19 0.00 0.00 0.00 0.00 51.96 52.63 1h2o s ALA 34 Cb 0.04 -2.25 1.13 0.00 0.00 0.00 0.00 23.12 22.05 1h2o s ALA 34 CO 0.94 -1.77 1.56 -0.35 0.00 0.00 0.00 175.76 176.14 1h2o n PRO 35 N 5.38 0.56 0.00 0.00 -0.04 -1.24 -2.51 135.00 137.14 1h2o n PRO 35 Ca 0.02 0.02 0.14 0.00 -0.04 0.00 0.00 63.50 63.63 1h2o n PRO 35 Cb 0.51 -1.50 0.52 0.00 -0.04 0.00 0.00 33.50 32.99 1h2o n PRO 35 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1h2o n GLN 36 N -1.04 0.26 -0.06 0.54 6.02 -1.26 -4.28 117.38 117.56 1h2o n GLN 36 Ca 0.14 -0.09 -0.05 0.00 -0.01 0.00 0.00 57.00 56.99 1h2o n GLN 36 Cb 0.08 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.82 1h2o n GLN 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1h2o n ALA 37 N -1.30 0.53 -2.60 -1.58 0.00 -1.04 -4.71 120.51 109.81 1h2o n ALA 37 Ca 0.09 -0.57 -0.32 0.00 0.00 0.00 0.00 53.44 52.64 1h2o n ALA 37 Cb 0.31 0.02 -0.14 0.00 0.00 0.00 0.00 19.45 19.64 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 -2.18 2.81 -0.40 0.00 1.09 -1.26 -4.08 121.20 117.19 1h2o s ILE 38 Ca -0.17 -0.80 0.23 0.00 -1.10 0.00 0.00 60.65 58.81 1h2o s ILE 38 Cb 0.02 -2.10 0.18 0.00 -1.06 0.00 0.00 42.46 39.51 1h2o s ILE 38 CO 0.26 0.58 1.37 0.50 -0.10 0.00 0.00 174.94 177.55 1h2o h LYS 39 N 5.70 0.00 0.00 2.79 3.64 0.31 -3.41 116.57 125.59 1h2o h LYS 39 Ca -0.40 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 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 0.50 0.00 0.00 1.58 -2.27 0.00 0.00 179.45 179.26 1h2o n HIS 40 N -2.79 0.00 -3.98 1.91 -0.00 -1.22 -4.95 115.22 104.19 1h2o n HIS 40 Ca 0.02 0.00 -0.20 0.00 -0.00 0.00 0.00 57.72 57.54 1h2o n HIS 40 Cb 0.52 0.00 -0.17 0.00 -0.00 0.00 0.00 29.99 30.35 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 1.09 -0.13 0.26 0.01 -1.26 -0.38 113.70 113.29 1h2o s SER 41 Ca 0.00 -0.09 -0.04 0.00 1.31 0.00 0.00 55.95 57.13 1h2o s SER 41 Cb 0.00 -0.41 0.05 0.00 0.21 0.00 0.00 66.02 65.87 1h2o s SER 41 CO 0.00 -0.11 0.08 -0.70 0.41 0.00 0.00 173.24 172.92 1h2o s GLU 42 N 1.32 0.02 0.39 12.44 2.12 -1.19 -4.90 118.70 128.90 1h2o s GLU 42 Ca -0.05 0.07 -0.26 0.00 0.36 0.00 0.00 54.97 55.09 1h2o s GLU 42 Cb -0.13 -1.38 -0.11 0.00 0.26 0.00 0.00 34.13 32.76 1h2o s GLU 42 CO -0.02 -0.55 1.13 -0.89 -0.54 0.00 0.00 175.26 174.38 1h2o n ILE 43 N 5.28 2.33 -0.03 -3.70 5.41 -1.26 -2.17 119.36 125.22 1h2o n ILE 43 Ca -0.06 -0.50 -0.03 0.00 1.00 0.00 0.00 62.75 63.17 1h2o n ILE 43 Cb 0.49 -1.31 -0.04 0.00 -0.71 0.00 0.00 39.64 38.07 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 0.58 0.02 -4.41 1.39 7.99 0.69 -4.81 117.00 118.45 1h2o n LEU 44 Ca 0.08 -0.00 -0.21 0.00 -0.01 0.00 0.00 56.01 55.87 1h2o n LEU 44 Cb 0.38 0.13 -0.10 0.00 -0.11 0.00 0.00 43.42 43.71 1h2o n LEU 44 CO 0.59 0.14 -0.36 0.26 -1.51 0.00 0.00 177.39 176.51 1h2o s TRP 45 N -2.13 1.90 0.00 -1.77 0.52 -0.86 -4.83 118.94 111.77 1h2o s TRP 45 Ca -0.03 -0.73 0.00 0.00 0.02 0.00 0.00 56.10 55.36 1h2o s TRP 45 Cb 0.02 -1.09 0.00 0.00 -1.15 0.00 0.00 33.47 31.25 1h2o s TRP 45 CO 0.22 0.23 0.00 0.41 0.02 0.00 0.00 176.95 177.83 1h2o n GLY 46 N -0.56 1.93 0.67 0.98 0.00 -1.26 -3.24 105.19 103.71 1h2o n GLY 46 Ca -0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.39 -0.11 0.00 1.61 9.92 -1.26 -4.95 116.55 121.37 1h2o n ASP 47 Ca 0.00 -1.48 0.00 0.00 -0.53 0.00 0.00 54.79 52.78 1h2o n ASP 47 Cb 0.00 -0.01 0.00 0.00 -0.64 0.00 0.00 41.12 40.47 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 0.04 2.06 0.57 0.44 0.00 -1.26 -5.11 105.19 101.94 1h2o n GLY 48 Ca -0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.25 3.71 -0.02 0.00 -1.26 -4.86 105.19 100.51 1h2o n GLY 49 Ca 0.00 -1.50 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 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 -3.41 4.39 0.00 1.61 0.04 -1.26 -2.62 135.00 133.75 1h2o s PRO 50 Ca 0.12 1.83 0.00 0.00 0.04 0.00 0.00 61.00 62.98 1h2o s PRO 50 Cb -0.01 -3.37 0.00 0.00 0.04 0.00 0.00 34.50 31.16 1h2o s PRO 50 CO 0.09 -0.33 0.00 0.41 0.04 0.00 0.00 177.00 177.20 1h2o n GLY 51 N 3.31 1.47 3.77 0.56 0.00 0.29 -4.95 105.19 109.64 1h2o n GLY 51 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.32 3.28 -0.12 2.61 2.01 -1.08 -4.65 115.64 115.37 1h2o s THR 52 Ca 0.00 0.42 -0.00 0.00 0.31 0.00 0.00 61.69 62.41 1h2o s THR 52 Cb 0.00 -2.94 0.03 0.00 0.01 0.00 0.00 72.50 69.60 1h2o s THR 52 CO 0.00 -0.54 -0.08 -0.63 -0.69 0.00 0.00 174.62 172.68 1h2o s ILE 53 N -2.93 1.09 -0.20 1.82 1.01 -1.20 0.13 121.20 120.92 1h2o s ILE 53 Ca 0.61 -0.35 -0.09 0.00 0.00 0.00 0.00 60.65 60.82 1h2o s ILE 53 Cb -0.17 -1.11 -0.05 0.00 0.01 0.00 0.00 42.46 41.14 1h2o s ILE 53 CO 0.56 0.35 0.11 -0.54 0.00 0.00 0.00 174.94 175.42 1h2o s LYS 54 N 1.68 4.12 -0.77 2.79 1.02 0.34 0.25 119.74 129.17 1h2o s LYS 54 Ca 0.05 -0.26 -0.14 0.00 0.02 0.00 0.00 55.97 55.64 1h2o s LYS 54 Cb -0.13 -3.36 0.20 0.00 -0.52 0.00 0.00 37.83 34.03 1h2o s LYS 54 CO -0.08 0.28 0.70 0.21 -0.92 0.00 0.00 175.35 175.54 1h2o s LYS 55 N 0.38 3.43 0.32 1.68 2.20 -0.92 0.48 119.74 127.32 1h2o s LYS 55 Ca 0.06 -2.34 -0.26 0.00 -0.36 0.00 0.00 55.97 53.08 1h2o s LYS 55 Cb -0.11 -4.36 -0.10 0.00 -1.51 0.00 0.00 37.83 31.74 1h2o s LYS 55 CO -0.01 -1.29 0.94 0.42 -0.36 0.00 0.00 175.35 175.05 1h2o s ILE 56 N 0.40 4.21 0.12 5.43 1.01 -0.46 -3.14 121.20 128.77 1h2o s ILE 56 Ca 0.15 1.83 0.08 0.00 0.00 0.00 0.00 60.65 62.71 1h2o s ILE 56 Cb -0.14 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.26 1h2o s ILE 56 CO -0.07 0.16 -0.11 0.42 0.00 0.00 0.00 174.94 175.34 1h2o s THR 57 N -1.59 3.23 0.08 2.92 -4.23 0.49 0.54 115.64 117.08 1h2o s THR 57 Ca 0.50 -1.40 0.08 0.00 -1.18 0.00 0.00 61.69 59.68 1h2o s THR 57 Cb -0.19 -2.53 -0.04 0.00 1.34 0.00 0.00 72.50 71.09 1h2o s THR 57 CO 0.24 0.06 -0.16 -0.36 -0.54 0.00 0.00 174.62 173.86 1h2o s PHE 58 N -1.31 2.59 -0.93 3.99 0.08 0.75 0.25 117.98 123.40 1h2o s PHE 58 Ca 0.21 -0.23 0.17 0.00 0.12 0.00 0.00 56.93 57.20 1h2o s PHE 58 Cb -0.10 -1.42 0.63 0.00 -0.57 0.00 0.00 43.02 41.55 1h2o s PHE 58 CO 0.13 0.33 1.55 0.41 -0.10 0.00 0.00 175.22 177.54 1h2o n GLY 59 N 1.15 2.97 3.33 4.36 0.00 -1.26 -4.25 105.19 111.49 1h2o n GLY 59 Ca -0.16 -0.81 -0.17 0.00 0.00 0.00 0.00 46.02 44.88 1h2o n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1h2o s GLU 60 N -1.89 1.31 1.52 1.61 2.02 -1.26 -5.05 118.70 116.96 1h2o s GLU 60 Ca 0.46 -1.63 0.00 0.00 0.02 0.00 0.00 54.97 53.82 1h2o s GLU 60 Cb 0.30 -0.79 0.00 0.00 0.10 0.00 0.00 34.13 33.74 1h2o s GLU 60 CO 0.21 0.01 0.00 0.41 0.02 0.00 0.00 175.26 175.91 1h2o n GLY 61 N -0.39 -0.60 0.00 -1.39 0.00 -1.26 -4.70 105.19 96.85 1h2o n GLY 61 Ca -0.07 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.47 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 0.41 -1.26 0.03 1.61 3.41 -1.26 -4.86 113.62 111.71 1h2o n SER 62 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.50 1h2o n SER 62 Cb 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 1h2o n SER 62 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1h2o h GLN 63 N 0.00 0.50 -4.87 4.33 4.20 -1.98 -3.41 115.11 113.88 1h2o h GLN 63 Ca 0.00 -0.40 -0.67 0.00 0.06 0.00 0.00 58.65 57.63 1h2o h GLN 63 Cb 0.00 0.08 -0.35 0.00 0.30 0.00 0.00 27.48 27.51 1h2o h GLN 63 CO 0.00 1.03 -0.77 0.71 -0.67 0.00 0.00 178.83 179.13 1h2o s TYR 64 N -3.67 3.19 -0.48 2.96 2.02 -1.26 -5.02 117.35 115.09 1h2o s TYR 64 Ca -0.07 -2.01 0.03 0.00 -0.37 0.00 0.00 57.07 54.65 1h2o s TYR 64 Cb 0.10 -2.00 0.15 0.00 -0.40 0.00 0.00 41.96 39.82 1h2o s TYR 64 CO 0.85 -0.83 0.32 0.20 -1.57 0.00 0.00 175.55 174.53 1h2o s GLY 65 N 1.20 1.71 0.23 0.71 0.00 -1.26 -4.98 107.32 104.93 1h2o s GLY 65 Ca -0.05 -2.74 0.06 0.00 0.00 0.00 0.00 44.72 41.99 1h2o s GLY 65 CO -0.05 1.68 -0.07 -2.52 0.00 0.00 0.00 173.10 172.14 1h2o s TYR 66 N -0.04 1.70 0.32 1.90 -0.85 -1.26 0.27 117.35 119.38 1h2o s TYR 66 Ca 0.24 -0.73 0.04 0.00 -0.52 0.00 0.00 57.07 56.09 1h2o s TYR 66 Cb -0.11 -0.92 -0.03 0.00 0.38 0.00 0.00 41.96 41.27 1h2o s TYR 66 CO -0.09 0.19 0.18 0.14 -1.52 0.00 0.00 175.55 174.44 1h2o s VAL 67 N -3.15 0.28 -0.25 -3.49 -7.23 0.19 -4.21 120.40 102.54 1h2o s VAL 67 Ca 0.26 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.40 1h2o s VAL 67 Cb 0.03 -2.49 0.08 0.00 0.56 0.00 0.00 36.38 34.56 1h2o s VAL 67 CO 0.08 0.00 0.08 -0.54 -0.31 0.00 0.00 175.10 174.41 1h2o s LYS 68 N -3.74 0.51 -0.16 4.82 1.02 -1.17 -1.35 119.74 119.67 1h2o s LYS 68 Ca 0.35 -0.60 -0.14 0.00 0.02 0.00 0.00 55.97 55.60 1h2o s LYS 68 Cb 0.04 -1.83 -0.05 0.00 -0.52 0.00 0.00 37.83 35.47 1h2o s LYS 68 CO 0.19 -0.83 0.32 -1.01 -0.92 0.00 0.00 175.35 173.10 1h2o s HIS 69 N 1.87 3.47 -0.36 3.18 3.76 0.18 -2.29 115.29 125.09 1h2o s HIS 69 Ca 0.05 0.63 -0.16 0.00 -0.15 0.00 0.00 55.06 55.43 1h2o s HIS 69 Cb -0.17 -2.37 -0.00 0.00 1.11 0.00 0.00 32.58 31.15 1h2o s HIS 69 CO -0.20 0.23 0.39 0.21 -0.85 0.00 0.00 174.74 174.52 1h2o s LYS 70 N 0.49 3.44 0.16 1.40 2.20 0.59 0.13 119.74 128.16 1h2o s LYS 70 Ca 0.18 -0.49 -0.34 0.00 -0.36 0.00 0.00 55.97 54.95 1h2o s LYS 70 Cb -0.13 -3.85 -0.14 0.00 -1.51 0.00 0.00 37.83 32.20 1h2o s LYS 70 CO 0.05 -0.62 1.48 -0.89 -0.36 0.00 0.00 175.35 175.01 1h2o n ILE 71 N 5.30 0.22 -0.10 5.43 2.08 0.34 0.13 119.36 132.77 1h2o n ILE 71 Ca -0.08 -0.06 -0.18 0.00 0.56 0.00 0.00 62.75 62.99 1h2o n ILE 71 Cb 0.49 -1.35 -0.07 0.00 -0.75 0.00 0.00 39.64 37.95 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 2.93 1.78 -3.48 4.38 8.00 0.48 0.11 116.55 130.74 1h2o n ASP 72 Ca 0.16 0.12 -0.10 0.00 0.71 0.00 0.00 54.79 55.69 1h2o n ASP 72 Cb 0.27 -0.47 -0.02 0.00 -0.02 0.00 0.00 41.12 40.87 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 -6.41 -0.43 0.06 -2.24 0.01 0.49 -4.64 113.70 100.53 1h2o s SER 73 Ca -0.26 0.05 -0.07 0.00 1.31 0.00 0.00 55.95 56.97 1h2o s SER 73 Cb 0.09 0.45 -0.01 0.00 0.21 0.00 0.00 66.02 66.76 1h2o s SER 73 CO 0.37 -0.71 0.14 -0.63 0.41 0.00 0.00 173.24 172.82 1h2o s ILE 74 N -3.13 0.15 -0.46 1.44 1.01 -1.26 -0.38 121.20 118.57 1h2o s ILE 74 Ca 0.03 -1.20 0.04 0.00 0.00 0.00 0.00 60.65 59.52 1h2o s ILE 74 Cb -0.01 -1.19 0.17 0.00 0.01 0.00 0.00 42.46 41.44 1h2o s ILE 74 CO -0.09 -0.66 0.36 -1.81 0.00 0.00 0.00 174.94 172.74 1h2o s ASP 75 N -2.56 1.92 0.21 3.58 1.01 0.78 -4.91 116.67 116.70 1h2o s ASP 75 Ca 0.01 -3.19 0.17 0.00 0.71 0.00 0.00 52.55 50.25 1h2o s ASP 75 Cb 0.03 -0.62 0.83 0.00 1.01 0.00 0.00 42.92 44.17 1h2o s ASP 75 CO -0.08 -0.16 1.52 1.17 0.21 0.00 0.00 175.17 177.83 1h2o n LYS 76 N 2.70 0.11 -0.07 8.23 4.81 -1.26 0.26 118.16 132.94 1h2o n LYS 76 Ca 0.28 0.52 -0.10 0.00 -0.87 0.00 0.00 58.31 58.14 1h2o n LYS 76 Cb 0.46 -1.80 -0.15 0.00 0.02 0.00 0.00 35.03 33.56 1h2o n LYS 76 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1h2o n GLU 77 N -2.02 0.67 0.00 1.64 1.02 -1.26 -4.31 120.64 116.38 1h2o n GLU 77 Ca 0.00 0.13 0.07 0.00 -0.02 0.00 0.00 57.16 57.34 1h2o n GLU 77 Cb 0.09 -1.64 -0.04 0.00 -0.02 0.00 0.00 31.44 29.83 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 -2.90 1.09 -2.40 1.62 3.02 -0.70 -5.00 115.26 109.99 1h2o n ASN 78 Ca -0.27 -1.04 -0.10 0.00 -0.03 0.00 0.00 54.58 53.14 1h2o n ASN 78 Cb 1.11 0.75 0.05 0.00 -0.61 0.00 0.00 39.78 41.08 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 -0.78 -1.26 -4.37 3.10 4.01 0.73 -4.19 117.16 114.39 1h2o n TYR 79 Ca 0.04 0.53 -0.26 0.00 -0.16 0.00 0.00 57.90 58.05 1h2o n TYR 79 Cb 0.27 -3.72 -0.13 0.00 -0.31 0.00 0.00 39.34 35.45 1h2o n TYR 79 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1h2o s SER 80 N -3.71 2.90 0.03 7.72 0.01 -0.91 -0.60 113.70 119.14 1h2o s SER 80 Ca 0.03 -0.70 0.01 0.00 1.31 0.00 0.00 55.95 56.60 1h2o s SER 80 Cb -0.00 -0.18 -0.02 0.00 0.21 0.00 0.00 66.02 66.02 1h2o s SER 80 CO 0.42 0.12 -0.06 -0.47 0.41 0.00 0.00 173.24 173.66 1h2o s TYR 81 N -1.09 0.53 -0.22 2.43 5.04 0.37 -0.15 117.35 124.26 1h2o s TYR 81 Ca 0.10 -0.47 -0.12 0.00 -2.44 0.00 0.00 57.07 54.14 1h2o s TYR 81 Cb -0.10 -0.33 0.07 0.00 0.35 0.00 0.00 41.96 41.96 1h2o s TYR 81 CO 0.05 -0.11 0.52 -1.12 -1.34 0.00 0.00 175.55 173.55 1h2o s SER 82 N -1.42 -0.68 0.23 4.32 0.01 0.49 0.20 113.70 116.85 1h2o s SER 82 Ca -0.11 1.15 -0.09 0.00 1.31 0.00 0.00 55.95 58.21 1h2o s SER 82 Cb -0.09 1.09 -0.01 0.00 0.21 0.00 0.00 66.02 67.21 1h2o s SER 82 CO -0.00 -0.21 0.36 -0.72 0.41 0.00 0.00 173.24 173.08 1h2o s TYR 83 N 1.62 0.58 -0.08 2.43 1.13 0.85 0.18 117.35 124.06 1h2o s TYR 83 Ca -0.09 -0.90 0.03 0.00 -1.41 0.00 0.00 57.07 54.69 1h2o s TYR 83 Cb -0.08 -0.04 0.01 0.00 -1.10 0.00 0.00 41.96 40.75 1h2o s TYR 83 CO -0.16 -0.87 -0.18 0.99 -2.51 0.00 0.00 175.55 172.83 1h2o s THR 84 N -4.05 1.58 -0.09 -3.49 2.01 0.34 0.10 115.64 112.05 1h2o s THR 84 Ca 0.26 -0.74 -0.12 0.00 0.31 0.00 0.00 61.69 61.41 1h2o s THR 84 Cb 0.02 -1.40 -0.05 0.00 0.01 0.00 0.00 72.50 71.08 1h2o s THR 84 CO 0.09 0.45 0.28 -0.22 -0.69 0.00 0.00 174.62 174.54 1h2o s LEU 85 N 0.52 4.37 -0.02 4.42 2.96 -0.20 0.22 118.68 130.95 1h2o s LEU 85 Ca -0.16 0.65 0.02 0.00 -0.22 0.00 0.00 54.13 54.42 1h2o s LEU 85 Cb -0.17 -2.35 -0.02 0.00 0.50 0.00 0.00 46.19 44.15 1h2o s LEU 85 CO 0.06 0.28 0.00 2.30 -1.32 0.00 0.00 176.35 177.67 1h2o n ILE 86 N 2.44 0.13 -4.31 6.68 -5.35 -0.97 -0.88 119.36 117.10 1h2o n ILE 86 Ca -0.15 -0.08 -0.26 0.00 -0.27 0.00 0.00 62.75 62.00 1h2o n ILE 86 Cb 0.53 -0.92 -0.09 0.00 -1.74 0.00 0.00 39.64 37.42 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 -2.05 2.08 0.00 6.28 2.12 -1.25 -4.87 118.70 121.02 1h2o s GLU 87 Ca -0.01 -1.35 0.00 0.00 0.36 0.00 0.00 54.97 53.97 1h2o s GLU 87 Cb 0.01 -2.13 0.00 0.00 0.26 0.00 0.00 34.13 32.27 1h2o s GLU 87 CO 0.07 0.41 0.00 0.41 -0.54 0.00 0.00 175.26 175.61 1h2o n GLY 88 N -0.25 3.68 0.18 -1.50 0.00 -1.26 -3.02 105.19 103.02 1h2o n GLY 88 Ca -0.09 -0.26 0.12 0.00 0.00 0.00 0.00 46.02 45.79 1h2o n GLY 88 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1h2o h ASP 89 N 0.00 0.00 1.80 1.61 2.03 -1.94 -0.14 116.42 119.78 1h2o h ASP 89 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1h2o h ASP 89 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1h2o h ASP 89 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.21 1h2o h ALA 90 N 2.02 1.00 0.00 4.15 0.00 -1.94 -3.13 119.26 121.37 1h2o h ALA 90 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1h2o h ALA 90 Cb 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1h2o h ALA 90 CO 0.00 0.00 -0.35 -0.07 0.00 0.00 0.00 179.25 178.83 1h2o h LEU 91 N 0.00 0.00 0.00 0.00 3.38 -1.36 -3.46 115.31 113.86 1h2o h LEU 91 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1h2o h LEU 91 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1h2o h LEU 91 CO 0.00 0.35 0.00 0.61 0.09 0.00 0.00 178.44 179.49 1h2o n GLY 92 N -0.05 -0.17 0.47 0.83 0.00 -1.19 -0.64 105.19 104.44 1h2o n GLY 92 Ca -0.01 -0.28 0.07 0.00 0.00 0.00 0.00 46.02 45.81 1h2o n GLY 92 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1h2o n ASP 93 N -3.76 1.37 -0.07 1.61 8.00 -1.26 -3.67 116.55 118.76 1h2o n ASP 93 Ca 0.00 -1.83 -0.06 0.00 0.71 0.00 0.00 54.79 53.61 1h2o n ASP 93 Cb 0.00 -0.13 -0.16 0.00 -0.02 0.00 0.00 41.12 40.81 1h2o n ASP 93 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1h2o n THR 94 N 0.19 1.17 -3.98 -3.53 -2.24 -1.19 -4.87 114.28 99.82 1h2o n THR 94 Ca 0.12 -0.79 -0.24 0.00 -2.27 0.00 0.00 64.05 60.88 1h2o n THR 94 Cb 0.25 -0.44 -0.06 0.00 -2.10 0.00 0.00 70.33 67.98 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 -5.39 3.20 0.00 3.22 1.43 0.18 -3.23 118.68 118.09 1h2o s LEU 95 Ca -0.09 -0.97 0.00 0.00 -1.03 0.00 0.00 54.13 52.04 1h2o s LEU 95 Cb 0.08 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.67 1h2o s LEU 95 CO 0.84 -0.55 0.00 -0.62 0.23 0.00 0.00 176.35 176.25 1h2o n GLU 96 N -1.31 0.00 -2.74 1.70 -0.58 -0.40 -4.67 120.64 112.63 1h2o n GLU 96 Ca -0.00 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.33 1h2o n GLU 96 Cb 0.64 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.46 1h2o n GLU 96 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1h2o s LYS 97 N 0.00 4.66 0.01 3.49 1.02 -1.20 -4.63 119.74 123.09 1h2o s LYS 97 Ca 0.00 1.42 0.07 0.00 0.02 0.00 0.00 55.97 57.48 1h2o s LYS 97 Cb 0.00 -3.39 -0.02 0.00 -0.52 0.00 0.00 37.83 33.90 1h2o s LYS 97 CO 0.00 0.17 -0.22 0.42 -0.92 0.00 0.00 175.35 174.80 1h2o s ILE 98 N 0.18 1.74 -0.06 2.17 -1.09 -0.06 0.02 121.20 124.10 1h2o s ILE 98 Ca 0.47 -1.06 0.05 0.00 -2.23 0.00 0.00 60.65 57.88 1h2o s ILE 98 Cb -0.23 -1.47 -0.00 0.00 -1.58 0.00 0.00 42.46 39.18 1h2o s ILE 98 CO 0.29 0.38 -0.20 -0.44 -1.23 0.00 0.00 174.94 173.74 1h2o s SER 99 N -0.80 2.55 -0.05 3.58 0.01 -0.80 -1.04 113.70 117.17 1h2o s SER 99 Ca 0.08 -0.43 0.03 0.00 1.31 0.00 0.00 55.95 56.94 1h2o s SER 99 Cb -0.09 -0.78 0.01 0.00 0.21 0.00 0.00 66.02 65.37 1h2o s SER 99 CO 0.00 0.18 -0.11 -0.31 0.41 0.00 0.00 173.24 173.41 1h2o s TYR 100 N 0.04 1.29 -0.02 2.43 2.02 0.29 -0.26 117.35 123.14 1h2o s TYR 100 Ca -0.06 -0.41 0.01 0.00 -0.37 0.00 0.00 57.07 56.24 1h2o s TYR 100 Cb -0.13 -0.94 0.01 0.00 -0.40 0.00 0.00 41.96 40.50 1h2o s TYR 100 CO 0.04 -0.20 -0.04 -2.00 -1.57 0.00 0.00 175.55 171.78 1h2o s GLU 101 N 0.47 0.43 -0.00 -0.62 2.12 0.84 -0.11 118.70 121.83 1h2o s GLU 101 Ca -0.10 -0.10 0.01 0.00 0.36 0.00 0.00 54.97 55.15 1h2o s GLU 101 Cb -0.13 -0.46 -0.00 0.00 0.26 0.00 0.00 34.13 33.79 1h2o s GLU 101 CO 0.02 0.02 -0.05 0.99 -0.54 0.00 0.00 175.26 175.71 1h2o s THR 102 N 0.30 0.37 0.01 -1.70 2.01 0.52 0.01 115.64 117.17 1h2o s THR 102 Ca -0.03 -0.19 0.02 0.00 0.31 0.00 0.00 61.69 61.80 1h2o s THR 102 Cb -0.07 -0.32 -0.01 0.00 0.01 0.00 0.00 72.50 72.11 1h2o s THR 102 CO -0.00 0.11 -0.08 -0.75 -0.69 0.00 0.00 174.62 173.20 1h2o s LYS 103 N -0.07 0.59 0.13 4.92 2.20 0.35 0.14 119.74 127.99 1h2o s LYS 103 Ca 0.01 -0.44 0.09 0.00 -0.36 0.00 0.00 55.97 55.27 1h2o s LYS 103 Cb -0.02 -0.52 -0.04 0.00 -1.51 0.00 0.00 37.83 35.74 1h2o s LYS 103 CO -0.00 0.13 -0.21 -0.51 -0.36 0.00 0.00 175.35 174.40 1h2o s LEU 104 N -0.64 2.35 0.00 5.43 1.43 0.23 0.26 118.68 127.74 1h2o s LEU 104 Ca -0.01 -0.76 0.00 0.00 -1.03 0.00 0.00 54.13 52.34 1h2o s LEU 104 Cb -0.05 -0.90 0.00 0.00 0.03 0.00 0.00 46.19 45.27 1h2o s LEU 104 CO 0.00 0.04 0.00 0.52 0.23 0.00 0.00 176.35 177.14 1h2o n VAL 105 N 0.78 0.00 -4.38 -1.59 0.31 0.33 -4.62 118.33 109.16 1h2o n VAL 105 Ca -0.17 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 63.96 1h2o n VAL 105 Cb 0.55 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.38 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 -1.50 2.19 0.40 3.52 0.00 -1.26 -1.19 121.76 123.92 1h2o s ALA 106 Ca 0.00 -1.73 0.07 0.00 0.00 0.00 0.00 51.96 50.30 1h2o s ALA 106 Cb 0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 23.12 22.97 1h2o s ALA 106 CO 0.00 0.08 0.01 -1.54 0.00 0.00 0.00 175.76 174.31 1h2o s SER 107 N -3.37 3.93 0.00 0.00 1.04 -0.79 -4.48 113.70 110.03 1h2o s SER 107 Ca 0.25 -1.30 0.21 0.00 0.48 0.00 0.00 55.95 55.59 1h2o s SER 107 Cb -0.01 -0.41 1.09 0.00 0.10 0.00 0.00 66.02 66.80 1h2o s SER 107 CO 0.09 -0.41 1.64 -0.81 0.98 0.00 0.00 173.24 174.73 1h2o n PRO 108 N -0.97 0.39 -0.27 4.02 -0.04 -1.26 -2.51 135.00 134.36 1h2o n PRO 108 Ca -0.05 0.07 0.09 0.00 -0.04 0.00 0.00 63.50 63.57 1h2o n PRO 108 Cb 0.66 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.85 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 3.41 0.00 3.54 3.41 -1.26 -4.95 113.62 116.57 1h2o n SER 109 Ca 0.11 -2.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.73 1h2o n SER 109 Cb 0.14 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 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 1.05 2.51 0.82 5.00 0.00 -1.05 -5.01 105.19 108.51 1h2o n GLY 110 Ca 0.18 -0.46 -0.06 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.71 2.86 -0.02 0.00 -1.26 -4.60 105.19 99.45 1h2o n GLY 111 Ca 0.00 -0.89 -0.14 0.00 0.00 0.00 0.00 46.02 44.99 1h2o n GLY 111 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h2o s SER 112 N -1.92 0.21 0.27 1.61 1.04 0.40 -1.88 113.70 113.43 1h2o s SER 112 Ca 0.13 -0.02 -0.14 0.00 0.48 0.00 0.00 55.95 56.41 1h2o s SER 112 Cb -0.02 -0.07 -0.08 0.00 0.10 0.00 0.00 66.02 65.94 1h2o s SER 112 CO 0.11 -0.03 0.66 -0.63 0.98 0.00 0.00 173.24 174.33 1h2o s ILE 113 N 0.39 4.76 -0.14 -1.02 1.01 -0.33 0.15 121.20 126.02 1h2o s ILE 113 Ca -0.03 0.83 -0.01 0.00 0.00 0.00 0.00 60.65 61.43 1h2o s ILE 113 Cb -0.06 -3.65 0.04 0.00 0.01 0.00 0.00 42.46 38.81 1h2o s ILE 113 CO -0.01 -0.08 -0.03 -0.63 0.00 0.00 0.00 174.94 174.20 1h2o s ILE 114 N -1.85 0.80 0.03 2.92 1.01 0.33 0.12 121.20 124.57 1h2o s ILE 114 Ca 0.50 -0.38 -0.01 0.00 0.00 0.00 0.00 60.65 60.76 1h2o s ILE 114 Cb -0.12 -1.01 -0.04 0.00 0.01 0.00 0.00 42.46 41.30 1h2o s ILE 114 CO 0.19 0.13 0.20 -0.75 0.00 0.00 0.00 174.94 174.71 1h2o s LYS 115 N 1.77 3.43 0.04 2.79 2.20 0.73 -1.70 119.74 129.01 1h2o s LYS 115 Ca 0.02 -0.39 -0.08 0.00 -0.36 0.00 0.00 55.97 55.16 1h2o s LYS 115 Cb -0.14 -3.06 -0.00 0.00 -1.51 0.00 0.00 37.83 33.11 1h2o s LYS 115 CO -0.07 0.64 0.16 0.45 -0.36 0.00 0.00 175.35 176.16 1h2o s SER 116 N -2.25 0.10 -0.26 1.43 0.15 -0.98 0.13 113.70 112.02 1h2o s SER 116 Ca 0.31 -0.46 -0.12 0.00 0.70 0.00 0.00 55.95 56.38 1h2o s SER 116 Cb -0.13 0.27 0.09 0.00 -1.71 0.00 0.00 66.02 64.54 1h2o s SER 116 CO 0.24 -0.56 0.61 -0.89 1.20 0.00 0.00 173.24 173.84 1h2o s THR 117 N -2.73 -0.35 0.19 6.45 2.01 0.10 -0.56 115.64 120.75 1h2o s THR 117 Ca -0.04 0.03 0.10 0.00 0.31 0.00 0.00 61.69 62.10 1h2o s THR 117 Cb -0.00 -0.90 -0.04 0.00 0.01 0.00 0.00 72.50 71.56 1h2o s THR 117 CO -0.05 0.01 -0.22 -0.44 -0.69 0.00 0.00 174.62 173.24 1h2o s SER 118 N 2.05 3.20 0.02 3.53 0.01 -0.07 -0.11 113.70 122.33 1h2o s SER 118 Ca -0.08 -0.87 0.01 0.00 1.31 0.00 0.00 55.95 56.32 1h2o s SER 118 Cb -0.08 -0.23 -0.02 0.00 0.21 0.00 0.00 66.02 65.91 1h2o s SER 118 CO -0.18 0.07 -0.05 -1.00 0.41 0.00 0.00 173.24 172.49 1h2o s HIS 119 N -1.84 0.42 -0.13 2.43 3.76 0.64 -1.64 115.29 118.93 1h2o s HIS 119 Ca 0.20 -0.39 0.01 0.00 -0.15 0.00 0.00 55.06 54.73 1h2o s HIS 119 Cb -0.07 -0.26 0.02 0.00 1.11 0.00 0.00 32.58 33.38 1h2o s HIS 119 CO 0.09 -0.10 -0.13 0.71 -0.85 0.00 0.00 174.74 174.46 1h2o s TYR 120 N -1.05 1.93 -0.52 1.40 2.02 -1.20 -1.90 117.35 118.03 1h2o s TYR 120 Ca -0.09 -1.00 -0.18 0.00 -0.37 0.00 0.00 57.07 55.43 1h2o s TYR 120 Cb -0.08 -1.44 0.07 0.00 -0.40 0.00 0.00 41.96 40.12 1h2o s TYR 120 CO -0.00 -0.56 0.60 -1.01 -1.57 0.00 0.00 175.55 173.00 1h2o s HIS 121 N 1.36 3.08 0.09 2.71 3.76 0.10 -1.09 115.29 125.31 1h2o s HIS 121 Ca 0.01 -0.73 -0.15 0.00 -0.15 0.00 0.00 55.06 54.04 1h2o s HIS 121 Cb -0.13 -3.60 -0.06 0.00 1.11 0.00 0.00 32.58 29.89 1h2o s HIS 121 CO -0.07 -1.05 0.51 0.95 -0.85 0.00 0.00 174.74 174.22 1h2o s THR 122 N 2.43 4.89 -0.22 1.30 -4.23 -1.26 -1.28 115.64 117.27 1h2o s THR 122 Ca 0.12 0.88 -0.08 0.00 -1.18 0.00 0.00 61.69 61.43 1h2o s THR 122 Cb -0.22 -3.76 -0.04 0.00 1.34 0.00 0.00 72.50 69.82 1h2o s THR 122 CO 0.09 0.40 0.09 -0.75 -0.54 0.00 0.00 174.62 173.91 1h2o s LYS 123 N -1.56 3.87 0.71 3.99 2.20 -1.20 -4.79 119.74 122.97 1h2o s LYS 123 Ca 0.32 -0.38 0.00 0.00 -0.36 0.00 0.00 55.97 55.55 1h2o s LYS 123 Cb -0.16 -3.33 0.00 0.00 -1.51 0.00 0.00 37.83 32.82 1h2o s LYS 123 CO 0.18 0.05 0.00 0.41 -0.36 0.00 0.00 175.35 175.62 1h2o n GLY 124 N 4.25 1.01 2.29 5.54 0.00 -1.26 -4.55 105.19 112.48 1h2o n GLY 124 Ca -0.16 -1.14 -0.24 0.00 0.00 0.00 0.00 46.02 44.48 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 0.81 1.38 -4.35 1.61 5.15 -1.26 -5.09 115.26 113.50 1h2o n ASN 125 Ca 0.00 -2.98 -0.18 0.00 -0.60 0.00 0.00 54.58 50.82 1h2o n ASN 125 Cb 0.00 -0.64 -0.10 0.00 -0.53 0.00 0.00 39.78 38.51 1h2o n ASN 125 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1h2o s VAL 126 N -1.91 0.91 0.06 3.44 -7.23 -1.26 -5.17 120.40 109.24 1h2o s VAL 126 Ca 0.38 -2.01 -0.05 0.00 -1.81 0.00 0.00 61.98 58.48 1h2o s VAL 126 Cb 0.20 -2.55 -0.01 0.00 0.56 0.00 0.00 36.38 34.58 1h2o s VAL 126 CO -0.08 -0.14 0.10 -1.61 -0.31 0.00 0.00 175.10 173.05 1h2o s GLU 127 N -3.93 0.68 1.28 4.82 2.02 -1.26 -4.83 118.70 117.48 1h2o s GLU 127 Ca 0.33 -0.94 -0.17 0.00 0.02 0.00 0.00 54.97 54.22 1h2o s GLU 127 Cb 0.07 0.26 0.32 0.00 0.10 0.00 0.00 34.13 34.89 1h2o s GLU 127 CO 0.12 -0.18 0.99 0.42 0.02 0.00 0.00 175.26 176.63 1h2o s ILE 128 N -3.36 1.68 -0.16 -1.63 -1.09 -1.26 -4.98 121.20 110.41 1h2o s ILE 128 Ca 0.01 0.00 -0.13 0.00 -2.23 0.00 0.00 60.65 58.30 1h2o s ILE 128 Cb 0.03 -2.07 -0.05 0.00 -1.58 0.00 0.00 42.46 38.79 1h2o s ILE 128 CO -0.08 0.00 0.27 -0.54 -1.23 0.00 0.00 174.94 173.36 1h2o s LYS 129 N -4.71 4.21 0.33 2.79 1.02 -1.26 -4.96 119.74 117.16 1h2o s LYS 129 Ca 0.69 0.06 0.10 0.00 0.02 0.00 0.00 55.97 56.84 1h2o s LYS 129 Cb -0.20 -3.41 0.99 0.00 -0.52 0.00 0.00 37.83 34.69 1h2o s LYS 129 CO 0.62 0.28 1.61 0.93 -0.92 0.00 0.00 175.35 177.87 1h2o h GLU 130 N 6.54 0.10 -0.67 1.68 5.08 -1.99 1.60 114.58 126.93 1h2o h GLU 130 Ca -0.42 -0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.05 1h2o h GLU 130 Cb 1.17 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.35 1h2o h GLU 130 CO 0.75 0.06 0.45 1.49 -1.00 0.00 0.00 179.01 180.76 1h2o h GLU 131 N 0.10 0.40 0.16 2.33 4.81 -1.94 0.47 114.58 120.91 1h2o h GLU 131 Ca 0.69 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.89 1h2o h GLU 131 Cb 1.61 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.90 1h2o h GLU 131 CO -0.76 0.27 -0.07 1.25 -0.73 0.00 0.00 179.01 178.96 1h2o h HIS 132 N 0.42 -0.19 -0.29 0.92 2.76 0.20 1.15 115.15 120.11 1h2o h HIS 132 Ca 0.32 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.47 1h2o h HIS 132 Cb 0.67 0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.68 1h2o h HIS 132 CO -0.00 0.13 0.15 0.28 -1.30 0.00 0.00 177.93 177.19 1h2o h VAL 133 N -0.98 1.10 0.00 5.26 2.07 -1.14 -0.58 116.25 121.98 1h2o h VAL 133 Ca -0.02 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1h2o h VAL 133 Cb 0.41 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1h2o h VAL 133 CO 0.04 0.11 0.00 0.29 0.02 0.00 0.00 177.57 178.03 1h2o n LYS 134 N -4.45 0.00 0.31 1.57 5.02 0.16 -4.15 118.16 116.63 1h2o n LYS 134 Ca 0.01 0.00 0.17 0.00 -2.02 0.00 0.00 58.31 56.47 1h2o n LYS 134 Cb 0.10 -0.35 0.91 0.00 -0.02 0.00 0.00 35.03 35.67 1h2o n LYS 134 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1h2o h ALA 135 N -1.60 1.19 0.00 7.82 0.00 -0.16 0.28 119.26 126.79 1h2o h ALA 135 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 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 -0.19 -0.82 0.78 0.00 0.00 0.00 179.25 179.02 1h2o h GLY 136 N 0.00 0.00 1.79 0.00 0.00 0.28 -2.81 103.07 102.32 1h2o h GLY 136 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 1h2o h GLY 136 CO 0.00 0.00 -0.36 0.50 0.00 0.00 0.00 176.54 176.68 1h2o h LYS 137 N 0.00 0.24 0.08 4.80 1.57 -0.51 -2.39 116.57 120.36 1h2o h LYS 137 Ca -0.01 -0.10 -0.25 0.00 -1.87 0.00 0.00 60.65 58.42 1h2o h LYS 137 Cb 1.47 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.77 1h2o h LYS 137 CO 0.11 0.57 -1.14 1.49 -0.57 0.00 0.00 179.45 179.91 1h2o h GLU 138 N 0.21 0.25 -0.55 3.15 4.81 -1.53 -2.51 114.58 118.41 1h2o h GLU 138 Ca 0.02 -0.38 -0.10 0.00 -0.13 0.00 0.00 59.36 58.78 1h2o h GLU 138 Cb 0.74 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.23 1h2o h GLU 138 CO 0.06 1.15 -0.04 0.87 -0.73 0.00 0.00 179.01 180.31 1h2o h LYS 139 N 0.09 0.98 -0.09 1.92 1.57 -1.33 -2.45 116.57 117.26 1h2o h LYS 139 Ca -0.10 -0.32 -0.16 0.00 -1.87 0.00 0.00 60.65 58.19 1h2o h LYS 139 Cb 1.85 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 34.08 1h2o h LYS 139 CO 0.18 0.99 -0.59 0.00 -0.57 0.00 0.00 179.45 179.47 1h2o h ALA 140 N 1.05 0.19 -0.78 3.86 0.00 -1.49 -3.17 119.26 118.92 1h2o h ALA 140 Ca 0.15 -0.54 0.10 0.00 0.00 0.00 0.00 54.91 54.63 1h2o h ALA 140 Cb 0.58 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 1h2o h ALA 140 CO 0.03 0.44 0.42 1.03 0.00 0.00 0.00 179.25 181.17 1h2o h SER 141 N 0.17 0.56 -0.58 0.00 0.87 -1.37 -1.10 113.55 112.09 1h2o h SER 141 Ca -0.05 0.06 0.04 0.00 -1.23 0.00 0.00 61.79 60.62 1h2o h SER 141 Cb 1.24 -0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 63.11 1h2o h SER 141 CO 0.12 0.31 0.32 0.78 -0.53 0.00 0.00 176.83 177.83 1h2o h ASN 142 N 0.69 0.49 -0.84 6.23 2.35 -1.45 -1.27 115.58 121.77 1h2o h ASN 142 Ca 0.39 0.02 0.04 0.00 -0.55 0.00 0.00 56.30 56.20 1h2o h ASN 142 Cb 0.40 -0.07 -0.05 0.00 0.05 0.00 0.00 38.32 38.65 1h2o h ASN 142 CO -0.27 0.33 0.55 -0.07 -1.65 0.00 0.00 177.43 176.32 1h2o h LEU 143 N 0.62 0.89 -1.42 1.61 3.38 -1.20 -0.61 115.31 118.59 1h2o h LEU 143 Ca 0.25 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 1h2o h LEU 143 Cb 0.12 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1h2o h LEU 143 CO -0.15 0.60 0.10 -0.26 0.09 0.00 0.00 178.44 178.82 1h2o h PHE 144 N 1.03 0.49 0.00 1.13 0.04 -0.68 -0.41 116.94 118.53 1h2o h PHE 144 Ca 0.34 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.09 1h2o h PHE 144 Cb 0.07 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.07 1h2o h PHE 144 CO -0.00 0.42 0.00 0.87 -0.60 0.00 0.00 178.31 179.00 1h2o h LYS 145 N 0.49 0.00 0.16 1.51 1.57 -0.64 -2.45 116.57 117.21 1h2o h LYS 145 Ca 0.12 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.58 1h2o h LYS 145 Cb 0.16 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.48 1h2o h LYS 145 CO -0.01 0.00 -1.48 -0.07 -0.57 0.00 0.00 179.45 177.32 1h2o h LEU 146 N 0.00 0.54 -0.12 2.94 3.38 -0.77 -2.73 115.31 118.56 1h2o h LEU 146 Ca 0.00 -0.66 -0.04 0.00 0.09 0.00 0.00 57.88 57.27 1h2o h LEU 146 Cb 0.50 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1h2o h LEU 146 CO 0.00 1.54 -0.07 0.40 0.09 0.00 0.00 178.44 180.40 1h2o h ILE 147 N 0.09 1.33 -0.69 1.22 2.04 -1.28 -0.95 117.51 119.27 1h2o h ILE 147 Ca -0.23 -1.13 0.07 0.00 1.00 0.00 0.00 64.86 64.56 1h2o h ILE 147 Cb 2.06 1.82 -0.06 0.00 -0.74 0.00 0.00 36.82 39.89 1h2o h ILE 147 CO 0.20 0.33 0.38 -0.33 0.00 0.00 0.00 178.15 178.73 1h2o h GLU 148 N -0.10 0.66 -0.29 2.37 5.08 -1.55 -0.09 114.58 120.66 1h2o h GLU 148 Ca 0.03 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 1h2o h GLU 148 Cb 0.55 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1h2o h GLU 148 CO 0.02 0.44 -0.10 1.15 -1.00 0.00 0.00 179.01 179.52 1h2o h THR 149 N 0.68 1.22 -0.27 1.13 2.02 -1.36 0.47 112.91 116.81 1h2o h THR 149 Ca 0.32 -0.96 0.01 0.00 0.77 0.00 0.00 66.41 66.55 1h2o h THR 149 Cb 0.24 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 1h2o h THR 149 CO -0.21 0.32 0.15 0.22 0.37 0.00 0.00 175.52 176.37 1h2o h TYR 150 N 0.46 0.28 0.09 3.16 3.20 0.40 -1.54 116.97 123.01 1h2o h TYR 150 Ca 0.09 0.01 -0.25 0.00 3.14 0.00 0.00 58.73 61.71 1h2o h TYR 150 Cb 0.46 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 1h2o h TYR 150 CO 0.01 0.16 -1.17 -0.07 -1.64 0.00 0.00 178.16 175.46 1h2o h LEU 151 N 0.31 0.29 -2.67 2.82 3.38 -1.07 0.39 115.31 118.76 1h2o h LEU 151 Ca 0.11 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 1h2o h LEU 151 Cb 0.01 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1h2o h LEU 151 CO -0.06 1.24 -0.00 0.50 0.09 0.00 0.00 178.44 180.21 1h2o h LYS 152 N 0.05 0.00 0.00 1.13 3.64 0.20 -2.67 116.57 118.91 1h2o h LYS 152 Ca -0.10 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.09 1h2o h LYS 152 Cb 1.91 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.69 1h2o h LYS 152 CO 0.18 0.00 -1.72 0.41 -2.27 0.00 0.00 179.45 176.05 1h2o n GLY 153 N -1.22 -0.50 3.22 5.01 0.00 -0.60 -4.83 105.19 106.28 1h2o n GLY 153 Ca -0.03 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.25 3.56 -2.00 1.61 3.76 0.14 -4.88 115.29 115.22 1h2o s HIS 154 Ca -0.06 -2.21 0.14 0.00 -0.15 0.00 0.00 55.06 52.78 1h2o s HIS 154 Cb 0.03 -3.54 0.82 0.00 1.11 0.00 0.00 32.58 31.00 1h2o s HIS 154 CO 0.42 -0.94 1.28 -0.35 -0.85 0.00 0.00 174.74 174.30 1h2o n PRO 155 N 3.99 0.61 -0.00 8.40 -0.04 -1.25 -2.37 135.00 144.35 1h2o n PRO 155 Ca 0.07 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.56 1h2o n PRO 155 Cb 0.42 -1.35 -0.04 0.00 -0.04 0.00 0.00 33.50 32.49 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 -0.85 0.78 -4.48 3.54 8.00 -1.24 -4.81 116.55 117.48 1h2o n ASP 156 Ca 0.10 -0.56 -0.43 0.00 0.71 0.00 0.00 54.79 54.61 1h2o n ASP 156 Cb 0.05 1.05 -0.10 0.00 -0.02 0.00 0.00 41.12 42.09 1h2o n ASP 156 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h2o n ALA 157 N -1.25 0.53 0.00 2.24 0.00 -1.00 -3.47 120.51 117.56 1h2o n ALA 157 Ca 0.01 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1h2o n ALA 157 Cb 0.12 -2.54 0.00 0.00 0.00 0.00 0.00 19.45 17.02 1h2o n ALA 157 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1h2o n TYR 158 N 11.59 0.00 2.00 0.00 4.01 -1.26 -4.97 117.16 128.53 1h2o n TYR 158 Ca 0.54 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 58.44 1h2o n TYR 158 Cb 0.19 0.00 0.95 0.00 -0.31 0.00 0.00 39.34 40.17 1h2o n TYR 158 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69