#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 3.02 0.57 1.61 1.01 -1.26 -3.47 120.40 121.88 1h2o s VAL 2 Ca 0.00 -0.65 -0.11 0.00 0.00 0.00 0.00 61.98 61.21 1h2o s VAL 2 Cb 0.00 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.04 1h2o s VAL 2 CO 0.00 0.50 0.97 -0.36 0.00 0.00 0.00 175.10 176.21 1h2o s PHE 3 N 0.70 3.57 -0.33 5.22 0.40 -0.43 -4.83 117.98 122.28 1h2o s PHE 3 Ca -0.06 1.25 -0.01 0.00 -0.60 0.00 0.00 56.93 57.51 1h2o s PHE 3 Cb -0.15 -2.66 0.13 0.00 0.51 0.00 0.00 43.02 40.85 1h2o s PHE 3 CO 0.02 -0.53 0.22 0.99 0.70 0.00 0.00 175.22 176.62 1h2o s THR 4 N -2.95 -0.06 -0.06 0.64 2.01 -1.26 -2.65 115.64 111.31 1h2o s THR 4 Ca 0.55 -1.18 0.04 0.00 0.31 0.00 0.00 61.69 61.41 1h2o s THR 4 Cb -0.11 -0.99 -0.02 0.00 0.01 0.00 0.00 72.50 71.39 1h2o s THR 4 CO 0.47 -0.79 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.11 1h2o s TYR 5 N 1.58 2.61 0.03 4.92 2.02 -0.28 -4.98 117.35 123.25 1h2o s TYR 5 Ca 0.14 -0.35 -0.00 0.00 -0.37 0.00 0.00 57.07 56.49 1h2o s TYR 5 Cb -0.19 -1.63 -0.03 0.00 -0.40 0.00 0.00 41.96 39.72 1h2o s TYR 5 CO -0.15 0.04 -0.03 -1.83 -1.57 0.00 0.00 175.55 172.01 1h2o s GLU 6 N -0.49 0.44 -0.02 -0.62 -1.05 -1.26 0.31 118.70 116.02 1h2o s GLU 6 Ca 0.06 -0.87 0.01 0.00 -0.15 0.00 0.00 54.97 54.03 1h2o s GLU 6 Cb -0.12 0.15 0.01 0.00 -0.44 0.00 0.00 34.13 33.73 1h2o s GLU 6 CO 0.01 -0.08 -0.05 -1.12 0.95 0.00 0.00 175.26 174.98 1h2o s SER 7 N -2.09 0.69 -0.04 0.83 0.01 -0.53 -4.95 113.70 107.63 1h2o s SER 7 Ca -0.06 -0.10 0.04 0.00 1.31 0.00 0.00 55.95 57.14 1h2o s SER 7 Cb -0.02 -0.19 -0.03 0.00 0.21 0.00 0.00 66.02 65.99 1h2o s SER 7 CO -0.05 0.01 -0.15 -0.70 0.41 0.00 0.00 173.24 172.77 1h2o s GLU 8 N 0.29 2.45 0.11 12.44 2.12 -1.26 -1.12 118.70 133.73 1h2o s GLU 8 Ca -0.03 -0.73 -0.03 0.00 0.36 0.00 0.00 54.97 54.53 1h2o s GLU 8 Cb -0.07 -2.35 0.01 0.00 0.26 0.00 0.00 34.13 31.98 1h2o s GLU 8 CO -0.00 0.61 0.20 1.97 -0.54 0.00 0.00 175.26 177.50 1h2o n PHE 9 N 2.22 -1.23 -4.23 5.30 -1.74 -0.00 -5.00 117.46 112.78 1h2o n PHE 9 Ca -0.17 -0.55 -0.15 0.00 -0.56 0.00 0.00 57.45 56.03 1h2o n PHE 9 Cb 0.52 0.23 -0.09 0.00 1.52 0.00 0.00 39.48 41.66 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 -2.70 0.00 -0.22 1.97 -4.23 -1.26 0.14 115.64 109.33 1h2o s THR 10 Ca 0.05 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.40 1h2o s THR 10 Cb -0.01 -2.50 0.06 0.00 1.34 0.00 0.00 72.50 71.39 1h2o s THR 10 CO 0.04 0.00 0.57 -0.94 -0.54 0.00 0.00 174.62 173.75 1h2o s SER 11 N -3.23 -0.68 0.27 3.99 1.04 0.42 -4.86 113.70 110.65 1h2o s SER 11 Ca 0.40 1.20 -0.04 0.00 0.48 0.00 0.00 55.95 57.98 1h2o s SER 11 Cb 0.05 1.14 0.35 0.00 0.10 0.00 0.00 66.02 67.66 1h2o s SER 11 CO 0.17 -0.21 1.94 -0.33 0.98 0.00 0.00 173.24 175.80 1h2o h GLU 12 N 6.20 1.21 -7.12 4.02 5.08 -1.92 1.02 114.58 123.08 1h2o h GLU 12 Ca -0.31 -0.07 -0.56 0.00 -1.00 0.00 0.00 59.36 57.42 1h2o h GLU 12 Cb 1.19 -0.27 0.16 0.00 0.50 0.00 0.00 28.75 30.33 1h2o h GLU 12 CO 0.18 0.80 0.50 -0.89 -1.00 0.00 0.00 179.01 178.60 1h2o n ILE 13 N -4.40 4.68 -2.14 3.13 -0.00 -1.26 -4.34 119.36 115.02 1h2o n ILE 13 Ca 0.11 -0.47 -0.40 0.00 -0.00 0.00 0.00 62.75 62.00 1h2o n ILE 13 Cb 0.03 -1.46 -0.01 0.00 -0.00 0.00 0.00 39.64 38.20 1h2o n ILE 13 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 1h2o s PRO 14 N -3.45 4.13 0.26 0.38 0.04 -1.26 -4.17 135.00 130.93 1h2o s PRO 14 Ca 0.82 2.09 0.08 0.00 0.04 0.00 0.00 61.00 64.03 1h2o s PRO 14 Cb -0.37 -2.85 0.32 0.00 0.04 0.00 0.00 34.50 31.63 1h2o s PRO 14 CO 0.41 -0.33 1.59 -1.00 0.04 0.00 0.00 177.00 177.71 1h2o h PRO 15 N 2.93 0.09 0.00 0.56 0.13 -1.91 -2.80 132.00 131.00 1h2o h PRO 15 Ca -0.49 -0.07 -0.02 0.00 -0.87 0.00 0.00 66.00 64.56 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 0.67 -0.08 -1.00 -0.23 0.00 0.00 178.00 178.00 1h2o h PRO 16 N 0.07 0.00 0.09 1.56 0.13 -1.95 0.53 132.00 132.43 1h2o h PRO 16 Ca -0.01 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.94 1h2o h PRO 16 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1h2o h PRO 16 CO 0.09 0.08 -0.87 0.00 -0.23 0.00 0.00 178.00 177.06 1h2o h ARG 17 N 0.00 0.18 -0.08 0.86 3.08 -1.90 -2.76 114.38 113.76 1h2o h ARG 17 Ca -0.00 -0.31 -0.13 0.00 0.07 0.00 0.00 59.98 59.60 1h2o h ARG 17 Cb 0.58 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 1h2o h ARG 17 CO 0.01 1.15 -0.54 1.25 -1.07 0.00 0.00 179.97 180.77 1h2o h LEU 18 N -0.56 0.25 0.81 3.04 6.46 -1.37 -2.63 115.31 121.31 1h2o h LEU 18 Ca -0.18 -0.13 -0.04 0.00 -0.12 0.00 0.00 57.88 57.40 1h2o h LEU 18 Cb 1.50 -0.07 0.01 0.00 -0.73 0.00 0.00 40.66 41.37 1h2o h LEU 18 CO 0.05 0.75 -0.39 0.15 -0.62 0.00 0.00 178.44 178.38 1h2o h PHE 19 N 0.18 -1.01 -1.00 1.25 3.57 -0.02 0.52 116.94 120.43 1h2o h PHE 19 Ca 0.00 -0.02 0.20 0.00 3.53 0.00 0.00 57.97 61.68 1h2o h PHE 19 Cb 1.01 0.33 -0.10 0.00 2.79 0.00 0.00 35.95 39.99 1h2o h PHE 19 CO 0.02 -0.62 0.62 0.87 -2.23 0.00 0.00 178.31 176.96 1h2o h LYS 20 N -1.23 0.66 -0.17 1.11 1.57 -1.51 0.54 116.57 117.53 1h2o h LYS 20 Ca -0.11 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.48 1h2o h LYS 20 Cb 0.85 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1h2o h LYS 20 CO 0.18 0.44 -0.49 0.00 -0.57 0.00 0.00 179.45 179.01 1h2o h ALA 21 N 1.64 0.29 -0.20 3.86 0.00 -1.17 2.19 119.26 125.88 1h2o h ALA 21 Ca 0.57 -0.49 -0.21 0.00 0.00 0.00 0.00 54.91 54.78 1h2o h ALA 21 Cb 1.00 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.77 1h2o h ALA 21 CO -0.35 0.46 -0.69 0.35 0.00 0.00 0.00 179.25 179.02 1h2o h PHE 22 N 0.31 1.08 0.00 0.00 3.57 0.16 0.68 116.94 122.74 1h2o h PHE 22 Ca -0.01 -0.45 -0.16 0.00 3.53 0.00 0.00 57.97 60.88 1h2o h PHE 22 Cb 1.11 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 1h2o h PHE 22 CO 0.10 1.28 -1.44 0.28 -2.23 0.00 0.00 178.31 176.30 1h2o n VAL 23 N -3.97 1.37 1.88 1.41 0.31 0.17 -3.61 118.33 115.90 1h2o n VAL 23 Ca -0.06 -0.03 0.16 0.00 -0.01 0.00 0.00 64.34 64.40 1h2o n VAL 23 Cb 0.70 -2.05 0.91 0.00 -0.91 0.00 0.00 33.84 32.50 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 -4.18 0.00 -1.26 7.52 4.32 0.77 -3.94 117.00 120.22 1h2o n LEU 24 Ca -0.26 0.06 -0.03 0.00 -0.02 0.00 0.00 56.01 55.76 1h2o n LEU 24 Cb 0.59 -0.06 -0.03 0.00 -1.62 0.00 0.00 43.42 42.31 1h2o n LEU 24 CO 0.11 -0.00 0.26 0.47 -1.22 0.00 0.00 177.39 177.01 1h2o n ASP 25 N -1.06 -0.34 0.21 -1.43 8.00 0.71 -4.84 116.55 117.80 1h2o n ASP 25 Ca 0.22 -2.01 0.09 0.00 0.71 0.00 0.00 54.79 53.80 1h2o n ASP 25 Cb 0.14 0.11 0.34 0.00 -0.02 0.00 0.00 41.12 41.68 1h2o n ASP 25 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h2o h ALA 26 N 0.41 0.93 0.00 2.24 0.00 0.33 -1.43 119.26 121.73 1h2o h ALA 26 Ca -0.45 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1h2o h ALA 26 Cb 1.56 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1h2o h ALA 26 CO -0.15 0.31 0.00 -0.44 0.00 0.00 0.00 179.25 178.96 1h2o h ASP 27 N 0.00 0.00 0.00 0.00 3.32 -1.88 -2.87 116.42 114.99 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 0.91 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.46 1h2o h ASP 27 CO 0.03 0.00 -0.01 -0.46 -1.72 0.00 0.00 179.24 177.08 1h2o n ASN 28 N -2.66 1.18 -0.12 6.45 0.23 -1.10 -4.54 115.26 114.70 1h2o n ASN 28 Ca 0.00 -1.64 -0.25 0.00 -0.53 0.00 0.00 54.58 52.17 1h2o n ASN 28 Cb 0.21 -0.02 -0.11 0.00 -2.08 0.00 0.00 39.78 37.79 1h2o n ASN 28 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 1h2o n LEU 29 N -0.32 1.91 0.13 -4.53 -0.00 -0.56 -4.17 117.00 109.46 1h2o n LEU 29 Ca 0.00 0.39 -0.01 0.00 -0.00 0.00 0.00 56.01 56.39 1h2o n LEU 29 Cb 0.37 -0.92 0.11 0.00 -0.00 0.00 0.00 43.42 42.99 1h2o n LEU 29 CO 0.00 0.40 0.43 -0.37 -0.00 0.00 0.00 177.39 177.85 1h2o h VAL 30 N -0.98 1.36 0.00 1.96 -1.51 -1.84 -1.52 116.25 113.72 1h2o h VAL 30 Ca -0.48 -2.36 0.00 0.00 -1.23 0.00 0.00 66.70 62.63 1h2o h VAL 30 Cb 1.43 2.31 0.00 0.00 -2.13 0.00 0.00 31.29 32.90 1h2o h VAL 30 CO -0.28 0.65 0.00 -0.81 -1.23 0.00 0.00 177.57 175.90 1h2o n PRO 31 N -3.59 0.93 0.00 5.19 -0.04 -1.26 -2.10 135.00 134.14 1h2o n PRO 31 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1h2o n PRO 31 Cb 0.69 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.93 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 -0.72 1.51 0.14 0.54 5.02 -1.14 -4.53 118.16 118.98 1h2o n LYS 32 Ca 0.10 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.42 1h2o n LYS 32 Cb 0.05 -0.83 0.03 0.00 -0.02 0.00 0.00 35.03 34.26 1h2o n LYS 32 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1h2o h ILE 33 N 0.00 0.84 -0.46 -0.18 2.04 -1.33 -3.43 117.51 114.99 1h2o h ILE 33 Ca 0.00 -2.19 0.14 0.00 1.00 0.00 0.00 64.86 63.81 1h2o h ILE 33 Cb 0.65 2.41 -0.19 0.00 -0.74 0.00 0.00 36.82 38.96 1h2o h ILE 33 CO 0.00 0.48 -0.14 0.00 0.00 0.00 0.00 178.15 178.49 1h2o s ALA 34 N -2.97 -3.66 -1.67 1.87 0.00 -0.89 -5.00 121.76 109.45 1h2o s ALA 34 Ca 0.04 1.19 0.15 0.00 0.00 0.00 0.00 51.96 53.35 1h2o s ALA 34 Cb 0.07 -2.80 0.84 0.00 0.00 0.00 0.00 23.12 21.23 1h2o s ALA 34 CO 0.74 -2.13 1.39 -0.35 0.00 0.00 0.00 175.76 175.42 1h2o n PRO 35 N 4.86 0.33 -0.10 0.00 -0.04 -1.25 -2.23 135.00 136.58 1h2o n PRO 35 Ca 0.08 0.08 0.10 0.00 -0.04 0.00 0.00 63.50 63.73 1h2o n PRO 35 Cb 0.58 -1.50 0.34 0.00 -0.04 0.00 0.00 33.50 32.88 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 -1.16 1.80 -0.07 0.54 10.64 -1.26 -4.17 117.38 123.70 1h2o n GLN 36 Ca 0.09 -1.21 -0.13 0.00 -1.83 0.00 0.00 57.00 53.92 1h2o n GLN 36 Cb 0.09 -1.39 -0.06 0.00 -0.86 0.00 0.00 30.24 28.02 1h2o n GLN 36 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1h2o n ALA 37 N 0.44 1.89 -3.65 2.61 0.00 -0.95 -4.74 120.51 116.11 1h2o n ALA 37 Ca 0.16 -0.59 -0.23 0.00 0.00 0.00 0.00 53.44 52.78 1h2o n ALA 37 Cb 0.35 0.25 -0.17 0.00 0.00 0.00 0.00 19.45 19.88 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 -2.27 0.83 0.09 0.00 1.09 -1.25 -4.55 121.20 115.14 1h2o s ILE 38 Ca -0.20 -0.26 -0.07 0.00 -1.10 0.00 0.00 60.65 59.02 1h2o s ILE 38 Cb 0.06 -0.83 -0.25 0.00 -1.06 0.00 0.00 42.46 40.38 1h2o s ILE 38 CO 0.29 0.31 1.18 0.50 -0.10 0.00 0.00 174.94 177.12 1h2o h LYS 39 N 7.45 0.41 -1.45 2.79 3.64 0.26 -3.42 116.57 126.25 1h2o h LYS 39 Ca -0.32 -0.56 0.11 0.00 -1.27 0.00 0.00 60.65 58.61 1h2o h LYS 39 Cb 1.16 0.19 -0.28 0.00 -0.41 0.00 0.00 32.23 32.88 1h2o h LYS 39 CO 0.44 1.23 0.53 -1.58 -2.27 0.00 0.00 179.45 177.80 1h2o s HIS 40 N -2.94 -0.40 -0.18 1.91 5.65 -1.24 -4.96 115.29 113.13 1h2o s HIS 40 Ca -0.06 0.90 -0.03 0.00 0.25 0.00 0.00 55.06 56.12 1h2o s HIS 40 Cb 0.07 0.36 -0.01 0.00 -1.18 0.00 0.00 32.58 31.82 1h2o s HIS 40 CO 0.89 -0.19 -0.06 -1.12 -0.65 0.00 0.00 174.74 173.60 1h2o s SER 41 N 0.54 4.33 -0.21 9.88 0.01 -1.26 -1.36 113.70 125.63 1h2o s SER 41 Ca 0.00 -0.32 -0.02 0.00 1.31 0.00 0.00 55.95 56.92 1h2o s SER 41 Cb -0.04 -1.71 0.06 0.00 0.21 0.00 0.00 66.02 64.53 1h2o s SER 41 CO -0.11 0.07 0.03 -0.70 0.41 0.00 0.00 173.24 172.94 1h2o s GLU 42 N 0.93 0.77 0.24 12.44 2.12 -1.19 -4.95 118.70 129.06 1h2o s GLU 42 Ca -0.01 -0.53 -0.31 0.00 0.36 0.00 0.00 54.97 54.48 1h2o s GLU 42 Cb -0.15 -2.16 -0.13 0.00 0.26 0.00 0.00 34.13 31.96 1h2o s GLU 42 CO 0.01 -0.66 1.50 -0.89 -0.54 0.00 0.00 175.26 174.67 1h2o n ILE 43 N 4.99 0.74 -0.06 -3.70 5.41 -1.26 -2.42 119.36 123.06 1h2o n ILE 43 Ca -0.09 -0.18 -0.04 0.00 1.00 0.00 0.00 62.75 63.44 1h2o n ILE 43 Cb 0.46 -1.63 -0.12 0.00 -0.71 0.00 0.00 39.64 37.64 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 2.49 0.00 -4.33 1.39 7.94 0.59 -4.88 117.00 120.21 1h2o n LEU 44 Ca 0.12 0.00 -0.18 0.00 -1.11 0.00 0.00 56.01 54.84 1h2o n LEU 44 Cb 0.32 0.29 -0.10 0.00 0.53 0.00 0.00 43.42 44.46 1h2o n LEU 44 CO 0.63 0.29 -0.43 0.26 -1.11 0.00 0.00 177.39 177.03 1h2o s TRP 45 N -2.57 1.64 0.00 1.96 0.52 -0.79 -4.83 118.94 114.86 1h2o s TRP 45 Ca -0.07 -0.63 0.00 0.00 0.02 0.00 0.00 56.10 55.42 1h2o s TRP 45 Cb 0.06 -0.79 0.00 0.00 -1.15 0.00 0.00 33.47 31.59 1h2o s TRP 45 CO 0.65 0.29 0.00 0.41 0.02 0.00 0.00 176.95 178.32 1h2o n GLY 46 N -0.36 2.18 0.49 0.98 0.00 -1.26 -3.20 105.19 104.00 1h2o n GLY 46 Ca -0.08 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 0.21 0.00 0.00 1.61 8.00 -1.26 -4.96 116.55 120.15 1h2o n ASP 47 Ca 0.00 -1.18 0.00 0.00 0.71 0.00 0.00 54.79 54.32 1h2o n ASP 47 Cb 0.00 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 1h2o n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1h2o n GLY 48 N 0.00 1.67 1.02 0.44 0.00 -1.26 -5.11 105.19 101.94 1h2o n GLY 48 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.23 3.71 -0.02 0.00 -1.26 -4.88 105.19 100.51 1h2o n GLY 49 Ca 0.00 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 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 -3.73 4.40 0.00 1.61 0.04 -1.26 -2.68 135.00 133.37 1h2o s PRO 50 Ca 0.20 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.05 1h2o s PRO 50 Cb -0.02 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1h2o s PRO 50 CO 0.15 -0.32 0.00 0.41 0.04 0.00 0.00 177.00 177.28 1h2o n GLY 51 N 3.29 1.11 3.74 0.56 0.00 0.30 -4.95 105.19 109.24 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 -2.24 2.78 -0.08 2.61 2.01 -1.09 -4.70 115.64 114.93 1h2o s THR 52 Ca 0.00 0.25 -0.01 0.00 0.31 0.00 0.00 61.69 62.25 1h2o s THR 52 Cb 0.00 -2.78 0.03 0.00 0.01 0.00 0.00 72.50 69.75 1h2o s THR 52 CO 0.00 -0.33 -0.02 -0.63 -0.69 0.00 0.00 174.62 172.95 1h2o s ILE 53 N -2.97 0.52 -0.10 1.82 1.01 -1.20 -0.26 121.20 120.03 1h2o s ILE 53 Ca 0.63 0.01 -0.03 0.00 0.00 0.00 0.00 60.65 61.26 1h2o s ILE 53 Cb -0.17 -0.64 -0.03 0.00 0.01 0.00 0.00 42.46 41.63 1h2o s ILE 53 CO 0.56 0.28 0.02 -0.54 0.00 0.00 0.00 174.94 175.26 1h2o s LYS 54 N 1.79 3.16 -0.69 2.79 1.02 0.28 0.22 119.74 128.30 1h2o s LYS 54 Ca 0.03 -0.38 -0.05 0.00 0.02 0.00 0.00 55.97 55.59 1h2o s LYS 54 Cb -0.13 -2.88 0.18 0.00 -0.52 0.00 0.00 37.83 34.49 1h2o s LYS 54 CO -0.05 0.65 0.54 0.15 -0.92 0.00 0.00 175.35 175.71 1h2o s LYS 55 N -0.72 2.84 0.27 1.68 1.02 -1.02 0.14 119.74 123.96 1h2o s LYS 55 Ca 0.11 -2.61 -0.28 0.00 0.02 0.00 0.00 55.97 53.21 1h2o s LYS 55 Cb -0.12 -3.88 -0.09 0.00 -0.52 0.00 0.00 37.83 33.21 1h2o s LYS 55 CO 0.02 -1.21 0.94 0.42 -0.92 0.00 0.00 175.35 174.61 1h2o s ILE 56 N -0.17 4.12 0.26 2.17 1.01 -0.28 -3.14 121.20 125.17 1h2o s ILE 56 Ca 0.18 1.98 0.10 0.00 0.00 0.00 0.00 60.65 62.91 1h2o s ILE 56 Cb -0.17 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 38.06 1h2o s ILE 56 CO -0.05 0.35 -0.07 0.42 0.00 0.00 0.00 174.94 175.59 1h2o s THR 57 N -1.36 3.16 0.06 2.92 -4.23 -0.46 0.13 115.64 115.86 1h2o s THR 57 Ca 0.45 -2.03 0.10 0.00 -1.18 0.00 0.00 61.69 59.02 1h2o s THR 57 Cb -0.23 -2.67 -0.03 0.00 1.34 0.00 0.00 72.50 70.91 1h2o s THR 57 CO 0.29 -0.36 -0.26 -0.36 -0.54 0.00 0.00 174.62 173.38 1h2o s PHE 58 N -2.33 2.29 -1.73 3.99 0.08 0.75 0.23 117.98 121.26 1h2o s PHE 58 Ca 0.31 -0.40 0.20 0.00 0.12 0.00 0.00 56.93 57.15 1h2o s PHE 58 Cb -0.06 -1.34 0.63 0.00 -0.57 0.00 0.00 43.02 41.68 1h2o s PHE 58 CO 0.18 0.17 1.53 0.41 -0.10 0.00 0.00 175.22 177.41 1h2o n GLY 59 N 1.59 2.31 3.27 4.36 0.00 -1.26 -4.30 105.19 111.16 1h2o n GLY 59 Ca -0.17 -0.76 -0.18 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.34 1.12 0.11 1.61 2.02 -1.26 -5.07 118.70 115.89 1h2o s GLU 60 Ca 0.46 -1.36 0.00 0.00 0.02 0.00 0.00 54.97 54.09 1h2o s GLU 60 Cb 0.26 -0.95 0.00 0.00 0.10 0.00 0.00 34.13 33.54 1h2o s GLU 60 CO 0.28 0.17 0.00 0.41 0.02 0.00 0.00 175.26 176.14 1h2o n GLY 61 N 0.20 -1.11 0.00 -1.39 0.00 -1.26 -4.70 105.19 96.94 1h2o n GLY 61 Ca -0.13 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 43.99 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 0.02 -1.36 0.20 1.61 3.41 -1.26 -4.82 113.62 111.42 1h2o n SER 62 Ca 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.68 1h2o n SER 62 Cb 0.00 0.00 0.38 0.00 -0.26 0.00 0.00 64.21 64.33 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 0.00 -4.07 4.33 4.20 -1.99 -3.40 115.11 114.18 1h2o h GLN 63 Ca 0.00 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.14 1h2o h GLN 63 Cb 0.00 0.00 -0.39 0.00 0.30 0.00 0.00 27.48 27.39 1h2o h GLN 63 CO 0.00 0.33 -0.78 0.71 -0.67 0.00 0.00 178.83 178.42 1h2o s TYR 64 N -3.66 1.83 -0.42 2.96 2.02 -1.26 -5.06 117.35 113.75 1h2o s TYR 64 Ca -0.00 -1.33 0.02 0.00 -0.37 0.00 0.00 57.07 55.39 1h2o s TYR 64 Cb 0.11 -1.35 0.15 0.00 -0.40 0.00 0.00 41.96 40.46 1h2o s TYR 64 CO 0.67 -0.69 0.27 0.20 -1.57 0.00 0.00 175.55 174.43 1h2o s GLY 65 N 1.59 1.40 0.19 0.71 0.00 -1.26 -5.02 107.32 104.93 1h2o s GLY 65 Ca -0.03 -2.42 0.03 0.00 0.00 0.00 0.00 44.72 42.30 1h2o s GLY 65 CO -0.07 1.80 -0.02 -2.52 0.00 0.00 0.00 173.10 172.30 1h2o s TYR 66 N 0.40 1.33 0.34 1.90 -0.85 -1.26 0.27 117.35 119.48 1h2o s TYR 66 Ca 0.21 -0.95 0.04 0.00 -0.52 0.00 0.00 57.07 55.85 1h2o s TYR 66 Cb -0.17 -0.75 -0.04 0.00 0.38 0.00 0.00 41.96 41.38 1h2o s TYR 66 CO -0.05 -0.11 0.14 0.14 -1.52 0.00 0.00 175.55 174.16 1h2o s VAL 67 N -3.53 0.50 -0.08 -3.49 -7.23 0.35 -4.03 120.40 102.90 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 0.05 -2.49 0.02 0.00 0.56 0.00 0.00 36.38 34.52 1h2o s VAL 67 CO 0.05 0.00 -0.11 -0.54 -0.31 0.00 0.00 175.10 174.19 1h2o s LYS 68 N -3.77 1.61 -0.20 4.82 1.02 -1.25 -1.12 119.74 120.84 1h2o s LYS 68 Ca 0.32 -0.36 -0.01 0.00 0.02 0.00 0.00 55.97 55.94 1h2o s LYS 68 Cb 0.04 -1.43 0.01 0.00 -0.52 0.00 0.00 37.83 35.93 1h2o s LYS 68 CO 0.17 -0.06 -0.12 -1.01 -0.92 0.00 0.00 175.35 173.41 1h2o s HIS 69 N 0.96 2.87 -0.33 3.18 3.76 0.38 -2.32 115.29 123.79 1h2o s HIS 69 Ca -0.09 -1.29 -0.16 0.00 -0.15 0.00 0.00 55.06 53.37 1h2o s HIS 69 Cb -0.15 -2.01 -0.01 0.00 1.11 0.00 0.00 32.58 31.52 1h2o s HIS 69 CO 0.00 -0.68 0.39 0.21 -0.85 0.00 0.00 174.74 173.81 1h2o s LYS 70 N 1.38 3.63 0.19 1.40 2.20 0.36 0.10 119.74 129.01 1h2o s LYS 70 Ca 0.05 -0.32 -0.32 0.00 -0.36 0.00 0.00 55.97 55.03 1h2o s LYS 70 Cb -0.14 -3.79 -0.11 0.00 -1.51 0.00 0.00 37.83 32.28 1h2o s LYS 70 CO -0.08 -0.51 1.70 0.42 -0.36 0.00 0.00 175.35 176.51 1h2o s ILE 71 N 2.09 2.18 -0.19 5.43 -1.09 0.64 0.16 121.20 130.42 1h2o s ILE 71 Ca 0.13 0.11 -0.02 0.00 -2.23 0.00 0.00 60.65 58.64 1h2o s ILE 71 Cb -0.16 -3.07 -0.11 0.00 -1.58 0.00 0.00 42.46 37.53 1h2o s ILE 71 CO 0.12 0.01 -0.20 0.47 -1.23 0.00 0.00 174.94 174.11 1h2o n ASP 72 N 4.10 2.20 -3.51 3.58 8.00 0.32 0.11 116.55 131.35 1h2o n ASP 72 Ca 0.16 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.57 1h2o n ASP 72 Cb 0.36 -0.39 -0.02 0.00 -0.02 0.00 0.00 41.12 41.05 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 -6.13 -0.38 0.05 -2.24 0.01 0.71 -4.66 113.70 101.06 1h2o s SER 73 Ca -0.26 0.06 -0.06 0.00 1.31 0.00 0.00 55.95 57.00 1h2o s SER 73 Cb 0.08 0.39 -0.01 0.00 0.21 0.00 0.00 66.02 66.68 1h2o s SER 73 CO 0.41 -0.60 0.11 -0.63 0.41 0.00 0.00 173.24 172.94 1h2o s ILE 74 N -2.87 0.15 -0.48 1.44 1.01 -1.26 -0.27 121.20 118.91 1h2o s ILE 74 Ca 0.04 -1.20 0.05 0.00 0.00 0.00 0.00 60.65 59.54 1h2o s ILE 74 Cb -0.01 -1.09 0.18 0.00 0.01 0.00 0.00 42.46 41.55 1h2o s ILE 74 CO -0.07 -0.66 0.40 0.47 0.00 0.00 0.00 174.94 175.08 1h2o n ASP 75 N 0.48 0.45 0.10 3.58 8.00 0.58 -4.92 116.55 124.82 1h2o n ASP 75 Ca -0.17 -2.61 0.08 0.00 0.71 0.00 0.00 54.79 52.79 1h2o n ASP 75 Cb 0.60 -0.61 0.38 0.00 -0.02 0.00 0.00 41.12 41.47 1h2o n ASP 75 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1h2o n LYS 76 N 2.46 0.09 -0.06 -1.24 5.02 -1.26 0.27 118.16 123.44 1h2o n LYS 76 Ca 0.27 0.54 -0.11 0.00 -2.02 0.00 0.00 58.31 56.99 1h2o n LYS 76 Cb 0.45 -1.78 -0.15 0.00 -0.02 0.00 0.00 35.03 33.54 1h2o n LYS 76 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1h2o n GLU 77 N -1.97 0.67 0.00 1.97 1.02 -1.26 -4.29 120.64 116.77 1h2o n GLU 77 Ca -0.00 0.15 0.07 0.00 -0.02 0.00 0.00 57.16 57.36 1h2o n GLU 77 Cb 0.06 -1.65 0.00 0.00 -0.02 0.00 0.00 31.44 29.84 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 -2.97 1.56 -2.83 1.62 3.02 -0.58 -5.00 115.26 110.09 1h2o n ASN 78 Ca -0.27 -1.28 -0.13 0.00 -0.03 0.00 0.00 54.58 52.87 1h2o n ASN 78 Cb 1.09 0.43 0.07 0.00 -0.61 0.00 0.00 39.78 40.76 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 -0.07 -1.66 -4.38 3.10 4.01 0.76 -4.10 117.16 114.81 1h2o n TYR 79 Ca 0.06 0.70 -0.28 0.00 -0.16 0.00 0.00 57.90 58.22 1h2o n TYR 79 Cb 0.31 -4.28 -0.13 0.00 -0.31 0.00 0.00 39.34 34.92 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 -3.98 3.20 -0.02 7.72 0.01 -0.95 -0.33 113.70 119.36 1h2o s SER 80 Ca 0.02 -0.74 0.00 0.00 1.31 0.00 0.00 55.95 56.54 1h2o s SER 80 Cb -0.00 -0.21 0.02 0.00 0.21 0.00 0.00 66.02 66.04 1h2o s SER 80 CO 0.55 0.16 0.01 -0.47 0.41 0.00 0.00 173.24 173.90 1h2o s TYR 81 N -1.07 0.10 -0.05 2.43 5.04 0.26 -0.31 117.35 123.76 1h2o s TYR 81 Ca 0.13 0.06 -0.01 0.00 -2.44 0.00 0.00 57.07 54.81 1h2o s TYR 81 Cb -0.10 -0.21 0.03 0.00 0.35 0.00 0.00 41.96 42.03 1h2o s TYR 81 CO 0.06 -0.07 0.01 -1.12 -1.34 0.00 0.00 175.55 173.09 1h2o s SER 82 N 0.69 0.98 0.22 4.32 0.01 0.63 0.19 113.70 120.75 1h2o s SER 82 Ca -0.06 -0.04 -0.04 0.00 1.31 0.00 0.00 55.95 57.13 1h2o s SER 82 Cb -0.09 -0.30 -0.03 0.00 0.21 0.00 0.00 66.02 65.81 1h2o s SER 82 CO -0.02 -0.15 0.24 -0.72 0.41 0.00 0.00 173.24 173.00 1h2o s TYR 83 N 1.51 0.99 -0.07 2.43 1.13 -0.35 0.12 117.35 123.11 1h2o s TYR 83 Ca -0.03 -1.23 0.05 0.00 -1.41 0.00 0.00 57.07 54.46 1h2o s TYR 83 Cb -0.13 -0.36 -0.01 0.00 -1.10 0.00 0.00 41.96 40.36 1h2o s TYR 83 CO -0.03 -0.76 -0.23 0.99 -2.51 0.00 0.00 175.55 173.01 1h2o s THR 84 N -4.05 1.92 -0.23 -3.49 2.01 0.42 -0.52 115.64 111.71 1h2o s THR 84 Ca 0.35 -0.97 -0.10 0.00 0.31 0.00 0.00 61.69 61.27 1h2o s THR 84 Cb 0.05 -1.64 -0.05 0.00 0.01 0.00 0.00 72.50 70.87 1h2o s THR 84 CO 0.12 0.53 0.14 -0.22 -0.69 0.00 0.00 174.62 174.51 1h2o s LEU 85 N 0.05 4.11 -0.00 4.42 2.96 -0.35 0.13 118.68 130.01 1h2o s LEU 85 Ca -0.09 0.14 0.09 0.00 -0.22 0.00 0.00 54.13 54.05 1h2o s LEU 85 Cb -0.15 -2.09 -0.11 0.00 0.50 0.00 0.00 46.19 44.35 1h2o s LEU 85 CO 0.05 0.10 0.35 2.30 -1.32 0.00 0.00 176.35 177.83 1h2o n ILE 86 N 4.04 0.00 -4.40 6.68 -5.35 -0.98 -1.14 119.36 118.20 1h2o n ILE 86 Ca -0.15 -0.27 -0.20 0.00 -0.27 0.00 0.00 62.75 61.86 1h2o n ILE 86 Cb 0.52 0.86 -0.10 0.00 -1.74 0.00 0.00 39.64 39.18 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 -2.01 1.52 0.00 6.28 2.56 -1.25 -4.92 118.70 120.88 1h2o s GLU 87 Ca 0.02 -1.80 0.00 0.00 0.00 0.00 0.00 54.97 53.19 1h2o s GLU 87 Cb 0.07 -0.84 0.00 0.00 2.00 0.00 0.00 34.13 35.36 1h2o s GLU 87 CO 0.37 -0.11 0.00 0.41 -0.56 0.00 0.00 175.26 175.38 1h2o n GLY 88 N -0.57 3.30 0.46 -1.50 0.00 -1.26 -3.95 105.19 101.68 1h2o n GLY 88 Ca -0.04 -0.29 0.25 0.00 0.00 0.00 0.00 46.02 45.95 1h2o n GLY 88 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1h2o h ASP 89 N 0.00 0.00 0.73 1.61 1.82 -1.96 0.91 116.42 119.53 1h2o h ASP 89 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1h2o h ASP 89 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1h2o h ASP 89 CO 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 179.24 177.63 1h2o h ALA 90 N 1.18 1.00 -0.06 -0.78 0.00 -1.97 -2.55 119.26 116.09 1h2o h ALA 90 Ca 0.35 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.15 1h2o h ALA 90 Cb 1.86 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 1h2o h ALA 90 CO -0.00 0.00 -0.47 -0.07 0.00 0.00 0.00 179.25 178.70 1h2o h LEU 91 N 0.00 0.14 0.00 0.00 3.38 0.53 -3.47 115.31 115.89 1h2o h LEU 91 Ca 0.00 -0.07 0.12 0.00 0.09 0.00 0.00 57.88 58.03 1h2o h LEU 91 Cb 0.37 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1h2o h LEU 91 CO 0.00 0.60 -0.16 0.61 0.09 0.00 0.00 178.44 179.58 1h2o n GLY 92 N -0.09 -0.70 0.00 0.83 0.00 -0.96 -1.12 105.19 103.15 1h2o n GLY 92 Ca -0.02 -0.48 0.10 0.00 0.00 0.00 0.00 46.02 45.63 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 -4.17 0.00 0.02 1.61 8.00 -1.26 -3.33 116.55 117.42 1h2o n ASP 93 Ca 0.00 -1.28 -0.18 0.00 0.71 0.00 0.00 54.79 54.04 1h2o n ASP 93 Cb 0.21 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.16 1h2o n ASP 93 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1h2o h THR 94 N 0.00 0.81 -1.73 -3.53 2.02 -1.89 -3.44 112.91 105.15 1h2o h THR 94 Ca 0.00 -2.52 -0.53 0.00 0.77 0.00 0.00 66.41 64.13 1h2o h THR 94 Cb 0.00 2.57 -0.06 0.00 -1.74 0.00 0.00 68.15 68.92 1h2o h THR 94 CO 0.00 0.80 -0.47 -0.76 0.37 0.00 0.00 175.52 175.46 1h2o s LEU 95 N -6.87 3.34 0.00 2.58 1.43 -0.28 -2.60 118.68 116.27 1h2o s LEU 95 Ca -0.15 -0.76 0.00 0.00 -1.03 0.00 0.00 54.13 52.18 1h2o s LEU 95 Cb 0.07 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.43 1h2o s LEU 95 CO 0.81 -0.44 0.00 -0.62 0.23 0.00 0.00 176.35 176.33 1h2o n GLU 96 N -1.31 0.00 -2.71 1.70 -0.58 -0.58 -4.64 120.64 112.52 1h2o n GLU 96 Ca -0.01 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.31 1h2o n GLU 96 Cb 0.62 0.00 -0.03 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 -0.01 4.46 -0.02 3.49 1.02 -1.19 -4.67 119.74 122.83 1h2o s LYS 97 Ca 0.00 1.38 0.05 0.00 0.02 0.00 0.00 55.97 57.42 1h2o s LYS 97 Cb 0.00 -3.52 -0.03 0.00 -0.52 0.00 0.00 37.83 33.77 1h2o s LYS 97 CO 0.00 -0.23 -0.17 0.42 -0.92 0.00 0.00 175.35 174.46 1h2o s ILE 98 N 1.69 2.87 -0.11 2.17 -1.09 -0.29 -0.87 121.20 125.57 1h2o s ILE 98 Ca 0.49 -0.91 0.03 0.00 -2.23 0.00 0.00 60.65 58.03 1h2o s ILE 98 Cb -0.19 -2.14 -0.00 0.00 -1.58 0.00 0.00 42.46 38.55 1h2o s ILE 98 CO 0.21 0.51 -0.22 -0.44 -1.23 0.00 0.00 174.94 173.76 1h2o s SER 99 N -0.95 3.23 -0.04 3.58 0.01 -1.05 -1.21 113.70 117.28 1h2o s SER 99 Ca 0.12 -0.53 0.05 0.00 1.31 0.00 0.00 55.95 56.91 1h2o s SER 99 Cb -0.11 -1.44 -0.01 0.00 0.21 0.00 0.00 66.02 64.68 1h2o s SER 99 CO 0.02 0.16 -0.19 -0.31 0.41 0.00 0.00 173.24 173.33 1h2o s TYR 100 N 0.37 1.82 -0.03 2.43 2.02 0.33 0.10 117.35 124.39 1h2o s TYR 100 Ca -0.17 -0.50 -0.00 0.00 -0.37 0.00 0.00 57.07 56.03 1h2o s TYR 100 Cb -0.18 -1.21 0.03 0.00 -0.40 0.00 0.00 41.96 40.20 1h2o s TYR 100 CO 0.08 -0.15 0.02 -2.00 -1.57 0.00 0.00 175.55 171.93 1h2o s GLU 101 N -0.08 0.07 0.00 -0.62 2.12 0.14 -1.21 118.70 119.12 1h2o s GLU 101 Ca -0.02 0.17 0.05 0.00 0.36 0.00 0.00 54.97 55.54 1h2o s GLU 101 Cb -0.11 -0.35 -0.02 0.00 0.26 0.00 0.00 34.13 33.91 1h2o s GLU 101 CO 0.02 -0.18 -0.17 0.99 -0.54 0.00 0.00 175.26 175.39 1h2o s THR 102 N 1.17 1.31 -0.00 -1.70 2.01 0.50 0.44 115.64 119.37 1h2o s THR 102 Ca -0.08 -0.80 0.01 0.00 0.31 0.00 0.00 61.69 61.14 1h2o s THR 102 Cb -0.13 -1.11 -0.00 0.00 0.01 0.00 0.00 72.50 71.27 1h2o s THR 102 CO -0.03 0.30 -0.04 -0.54 -0.69 0.00 0.00 174.62 173.61 1h2o s LYS 103 N -0.58 0.37 0.15 4.92 1.02 0.47 0.93 119.74 127.01 1h2o s LYS 103 Ca 0.06 -0.16 0.09 0.00 0.02 0.00 0.00 55.97 55.99 1h2o s LYS 103 Cb -0.07 -0.36 -0.04 0.00 -0.52 0.00 0.00 37.83 36.84 1h2o s LYS 103 CO -0.00 0.09 -0.22 -0.51 -0.92 0.00 0.00 175.35 173.79 1h2o s LEU 104 N -0.07 2.38 0.00 3.17 1.43 0.55 0.19 118.68 126.32 1h2o s LEU 104 Ca 0.01 -0.79 0.00 0.00 -1.03 0.00 0.00 54.13 52.32 1h2o s LEU 104 Cb -0.02 -0.97 0.00 0.00 0.03 0.00 0.00 46.19 45.23 1h2o s LEU 104 CO -0.00 0.06 0.00 0.52 0.23 0.00 0.00 176.35 177.16 1h2o n VAL 105 N 0.62 0.00 -4.42 -1.59 0.31 0.50 -4.57 118.33 109.18 1h2o n VAL 105 Ca -0.16 0.00 -0.21 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 -1.51 2.36 0.38 3.52 0.00 -1.26 -1.23 121.76 124.01 1h2o s ALA 106 Ca 0.00 -1.86 0.07 0.00 0.00 0.00 0.00 51.96 50.17 1h2o s ALA 106 Cb 0.00 0.06 -0.07 0.00 0.00 0.00 0.00 23.12 23.10 1h2o s ALA 106 CO 0.00 0.01 0.00 -1.54 0.00 0.00 0.00 175.76 174.23 1h2o s SER 107 N -3.43 3.54 0.00 0.00 1.04 -0.61 -4.42 113.70 109.82 1h2o s SER 107 Ca 0.28 -1.34 0.19 0.00 0.48 0.00 0.00 55.95 55.56 1h2o s SER 107 Cb 0.02 -0.33 0.86 0.00 0.10 0.00 0.00 66.02 66.67 1h2o s SER 107 CO 0.11 -0.45 1.61 -0.81 0.98 0.00 0.00 173.24 174.69 1h2o n PRO 108 N -0.88 0.08 -0.32 4.02 -0.04 -1.26 -2.48 135.00 134.12 1h2o n PRO 108 Ca -0.05 0.15 0.10 0.00 -0.04 0.00 0.00 63.50 63.67 1h2o n PRO 108 Cb 0.66 -1.50 0.28 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 -1.44 3.70 0.00 3.54 3.41 -1.26 -4.94 113.62 116.64 1h2o n SER 109 Ca 0.06 -2.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.67 1h2o n SER 109 Cb 0.20 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 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 1.38 2.61 1.39 5.00 0.00 -1.04 -5.02 105.19 109.52 1h2o n GLY 110 Ca 0.21 -0.43 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.78 2.94 -0.02 0.00 -1.26 -4.57 105.19 99.49 1h2o n GLY 111 Ca 0.00 -0.91 -0.17 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.08 0.71 0.18 1.61 1.04 0.35 -1.57 113.70 113.94 1h2o s SER 112 Ca 0.22 -0.10 -0.12 0.00 0.48 0.00 0.00 55.95 56.42 1h2o s SER 112 Cb -0.04 -0.18 -0.07 0.00 0.10 0.00 0.00 66.02 65.83 1h2o s SER 112 CO 0.19 0.03 0.55 -0.63 0.98 0.00 0.00 173.24 174.35 1h2o s ILE 113 N 0.22 4.88 -0.07 -1.02 1.01 -0.37 0.16 121.20 126.02 1h2o s ILE 113 Ca -0.02 0.69 0.01 0.00 0.00 0.00 0.00 60.65 61.33 1h2o s ILE 113 Cb -0.06 -3.68 0.02 0.00 0.01 0.00 0.00 42.46 38.74 1h2o s ILE 113 CO -0.00 0.11 -0.08 -0.63 0.00 0.00 0.00 174.94 174.34 1h2o s ILE 114 N -1.62 0.84 -0.20 2.92 1.01 0.37 0.19 121.20 124.71 1h2o s ILE 114 Ca 0.42 -0.27 -0.01 0.00 0.00 0.00 0.00 60.65 60.79 1h2o s ILE 114 Cb -0.13 -0.83 0.01 0.00 0.01 0.00 0.00 42.46 41.52 1h2o s ILE 114 CO 0.20 0.30 -0.13 -0.75 0.00 0.00 0.00 174.94 174.56 1h2o s LYS 115 N 1.04 3.17 0.25 2.79 2.20 0.49 -0.82 119.74 128.87 1h2o s LYS 115 Ca -0.08 -0.73 0.10 0.00 -0.36 0.00 0.00 55.97 54.89 1h2o s LYS 115 Cb -0.14 -2.77 -0.04 0.00 -1.51 0.00 0.00 37.83 33.36 1h2o s LYS 115 CO -0.00 -0.20 -0.05 0.45 -0.36 0.00 0.00 175.35 175.19 1h2o s SER 116 N 1.36 4.35 -0.28 1.43 0.15 -0.27 0.18 113.70 120.61 1h2o s SER 116 Ca 0.05 -0.68 -0.11 0.00 0.70 0.00 0.00 55.95 55.91 1h2o s SER 116 Cb -0.14 -0.74 0.11 0.00 -1.71 0.00 0.00 66.02 63.55 1h2o s SER 116 CO -0.08 0.03 0.62 -0.89 1.20 0.00 0.00 173.24 174.12 1h2o s THR 117 N -2.21 -0.74 0.16 6.45 2.01 0.17 -1.45 115.64 120.04 1h2o s THR 117 Ca 0.30 0.02 0.10 0.00 0.31 0.00 0.00 61.69 62.42 1h2o s THR 117 Cb -0.07 -0.95 -0.04 0.00 0.01 0.00 0.00 72.50 71.45 1h2o s THR 117 CO 0.18 0.01 -0.22 -0.44 -0.69 0.00 0.00 174.62 173.46 1h2o s SER 118 N 2.58 3.03 0.17 3.53 0.01 0.15 0.25 113.70 123.42 1h2o s SER 118 Ca -0.06 -0.82 0.03 0.00 1.31 0.00 0.00 55.95 56.41 1h2o s SER 118 Cb -0.11 -0.20 -0.05 0.00 0.21 0.00 0.00 66.02 65.88 1h2o s SER 118 CO -0.18 0.07 -0.04 -1.00 0.41 0.00 0.00 173.24 172.50 1h2o s HIS 119 N -1.60 1.27 -0.02 2.43 3.76 0.12 -1.13 115.29 120.12 1h2o s HIS 119 Ca 0.16 -0.90 0.03 0.00 -0.15 0.00 0.00 55.06 54.20 1h2o s HIS 119 Cb -0.08 -0.70 -0.00 0.00 1.11 0.00 0.00 32.58 32.90 1h2o s HIS 119 CO 0.07 -0.07 -0.10 0.71 -0.85 0.00 0.00 174.74 174.50 1h2o s TYR 120 N -3.49 0.99 -0.51 1.40 2.02 -1.09 -2.53 117.35 114.16 1h2o s TYR 120 Ca 0.21 -0.22 0.01 0.00 -0.37 0.00 0.00 57.07 56.71 1h2o s TYR 120 Cb 0.05 -0.67 0.13 0.00 -0.40 0.00 0.00 41.96 41.07 1h2o s TYR 120 CO 0.03 -0.06 0.27 -1.01 -1.57 0.00 0.00 175.55 173.21 1h2o s HIS 121 N -0.05 3.40 0.67 2.71 3.76 -0.05 -1.32 115.29 124.42 1h2o s HIS 121 Ca 0.01 -2.93 -0.11 0.00 -0.15 0.00 0.00 55.06 51.88 1h2o s HIS 121 Cb -0.06 -2.99 -0.01 0.00 1.11 0.00 0.00 32.58 30.63 1h2o s HIS 121 CO 0.00 -0.83 1.05 0.95 -0.85 0.00 0.00 174.74 175.06 1h2o s THR 122 N 0.15 4.20 -0.23 1.30 -4.23 -1.23 -1.53 115.64 114.07 1h2o s THR 122 Ca 0.15 0.72 -0.03 0.00 -1.18 0.00 0.00 61.69 61.34 1h2o s THR 122 Cb -0.23 -3.56 0.08 0.00 1.34 0.00 0.00 72.50 70.13 1h2o s THR 122 CO -0.03 -0.93 0.09 -0.75 -0.54 0.00 0.00 174.62 172.45 1h2o s LYS 123 N -5.11 0.37 0.00 3.99 2.20 -1.07 -4.82 119.74 115.31 1h2o s LYS 123 Ca 0.57 -0.46 0.00 0.00 -0.36 0.00 0.00 55.97 55.72 1h2o s LYS 123 Cb -0.13 -1.76 0.00 0.00 -1.51 0.00 0.00 37.83 34.43 1h2o s LYS 123 CO 0.54 -0.81 0.00 0.41 -0.36 0.00 0.00 175.35 175.14 1h2o n GLY 124 N 5.14 1.36 2.60 5.54 0.00 -1.26 -4.84 105.19 113.73 1h2o n GLY 124 Ca -0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 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 -4.97 -3.96 1.61 5.15 -1.26 -5.06 115.26 106.77 1h2o n ASN 125 Ca 0.00 -0.43 -0.12 0.00 -0.60 0.00 0.00 54.58 53.43 1h2o n ASN 125 Cb 0.00 -3.49 -0.12 0.00 -0.53 0.00 0.00 39.78 35.64 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 -3.24 0.21 0.36 3.44 -7.23 -1.26 -5.16 120.40 107.52 1h2o s VAL 126 Ca 0.28 -0.57 0.05 0.00 -1.81 0.00 0.00 61.98 59.93 1h2o s VAL 126 Cb -0.04 -0.27 0.05 0.00 0.56 0.00 0.00 36.38 36.69 1h2o s VAL 126 CO 0.47 -0.24 0.40 -0.62 -0.31 0.00 0.00 175.10 174.80 1h2o n GLU 127 N 2.21 0.85 -2.26 4.82 1.02 -1.26 -4.69 120.64 121.34 1h2o n GLU 127 Ca -0.19 -2.08 -0.26 0.00 -0.02 0.00 0.00 57.16 54.62 1h2o n GLU 127 Cb 0.57 0.02 0.10 0.00 -0.02 0.00 0.00 31.44 32.11 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 -1.49 2.20 -0.16 -3.67 -1.09 -1.26 -4.98 121.20 110.76 1h2o s ILE 128 Ca 0.30 -0.31 -0.12 0.00 -2.23 0.00 0.00 60.65 58.29 1h2o s ILE 128 Cb -0.02 -2.90 -0.05 0.00 -1.58 0.00 0.00 42.46 37.91 1h2o s ILE 128 CO 0.19 0.00 0.25 -0.54 -1.23 0.00 0.00 174.94 173.61 1h2o s LYS 129 N -5.33 4.16 0.32 2.79 1.02 -1.26 -4.96 119.74 116.48 1h2o s LYS 129 Ca 0.64 0.02 0.09 0.00 0.02 0.00 0.00 55.97 56.74 1h2o s LYS 129 Cb -0.08 -3.40 0.92 0.00 -0.52 0.00 0.00 37.83 34.75 1h2o s LYS 129 CO 0.46 0.31 1.67 0.93 -0.92 0.00 0.00 175.35 177.81 1h2o h GLU 130 N 6.46 0.33 0.00 1.68 4.39 -1.98 1.86 114.58 127.32 1h2o h GLU 130 Ca -0.43 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.25 1h2o h GLU 130 Cb 1.17 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 1h2o h GLU 130 CO 0.74 0.22 0.00 1.49 -1.16 0.00 0.00 179.01 180.30 1h2o h GLU 131 N 0.34 0.00 0.00 2.33 4.81 -1.95 0.48 114.58 120.59 1h2o h GLU 131 Ca 0.65 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 59.63 1h2o h GLU 131 Cb 1.39 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.73 1h2o h GLU 131 CO -0.59 0.00 -1.49 1.58 -0.73 0.00 0.00 179.01 177.78 1h2o n HIS 132 N -2.77 0.70 0.23 0.92 -0.00 0.62 -1.36 115.22 113.56 1h2o n HIS 132 Ca -0.01 0.30 0.09 0.00 0.46 0.00 0.00 57.72 58.56 1h2o n HIS 132 Cb 0.14 -1.00 0.55 0.00 -0.12 0.00 0.00 29.99 29.56 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 -1.00 0.81 0.00 3.57 3.04 -1.13 -1.65 116.25 119.89 1h2o h VAL 133 Ca -0.38 -0.90 0.00 0.00 -1.01 0.00 0.00 66.70 64.41 1h2o h VAL 133 Cb 1.27 1.54 0.00 0.00 -2.01 0.00 0.00 31.29 32.09 1h2o h VAL 133 CO -0.23 0.22 0.00 1.17 -1.01 0.00 0.00 177.57 177.72 1h2o n LYS 134 N -3.75 0.00 0.33 4.17 4.81 0.15 -4.29 118.16 119.58 1h2o n LYS 134 Ca -0.01 0.00 0.17 0.00 -0.87 0.00 0.00 58.31 57.60 1h2o n LYS 134 Cb 0.33 -0.31 0.94 0.00 0.02 0.00 0.00 35.03 36.01 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 -1.23 1.22 0.00 3.14 0.00 -1.43 0.36 119.26 121.32 1h2o h ALA 135 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 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 -0.22 -0.67 0.78 0.00 0.00 0.00 179.25 179.14 1h2o h GLY 136 N 0.00 0.00 1.85 0.00 0.00 -0.20 -2.95 103.07 101.77 1h2o h GLY 136 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1h2o h GLY 136 CO 0.00 0.00 -0.23 0.50 0.00 0.00 0.00 176.54 176.81 1h2o h LYS 137 N 0.00 0.18 0.00 4.80 1.57 -0.39 -2.43 116.57 120.29 1h2o h LYS 137 Ca -0.01 -0.05 -0.18 0.00 -1.87 0.00 0.00 60.65 58.53 1h2o h LYS 137 Cb 1.27 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.54 1h2o h LYS 137 CO 0.09 0.41 -0.88 1.49 -0.57 0.00 0.00 179.45 179.99 1h2o h GLU 138 N 0.17 0.00 -0.23 3.15 4.81 -1.56 -2.70 114.58 118.22 1h2o h GLU 138 Ca 0.03 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.13 1h2o h GLU 138 Cb 0.51 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1h2o h GLU 138 CO 0.03 0.88 -0.40 0.87 -0.73 0.00 0.00 179.01 179.67 1h2o h LYS 139 N 0.00 0.52 0.13 1.92 1.57 -1.28 -2.46 116.57 116.97 1h2o h LYS 139 Ca -0.01 -0.26 -0.30 0.00 -1.87 0.00 0.00 60.65 58.22 1h2o h LYS 139 Cb 1.67 0.00 0.03 0.00 0.08 0.00 0.00 32.23 34.01 1h2o h LYS 139 CO 0.11 0.83 -1.24 0.00 -0.57 0.00 0.00 179.45 178.58 1h2o h ALA 140 N 1.14 -0.03 -0.32 3.86 0.00 -1.49 -3.21 119.26 119.21 1h2o h ALA 140 Ca 0.04 -0.77 0.03 0.00 0.00 0.00 0.00 54.91 54.20 1h2o h ALA 140 Cb 0.88 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1h2o h ALA 140 CO 0.08 0.67 0.15 1.03 0.00 0.00 0.00 179.25 181.17 1h2o h SER 141 N 0.24 0.21 -0.97 0.00 0.87 -1.44 -1.65 113.55 110.81 1h2o h SER 141 Ca -0.19 0.02 0.11 0.00 -1.23 0.00 0.00 61.79 60.50 1h2o h SER 141 Cb 1.92 -0.02 -0.08 0.00 -0.44 0.00 0.00 62.40 63.78 1h2o h SER 141 CO 0.24 0.16 0.60 0.78 -0.53 0.00 0.00 176.83 178.08 1h2o h ASN 142 N 0.31 0.88 -0.60 6.23 2.35 -1.52 -0.54 115.58 122.68 1h2o h ASN 142 Ca 0.14 0.05 -0.08 0.00 -0.55 0.00 0.00 56.30 55.85 1h2o h ASN 142 Cb 0.06 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 1h2o h ASN 142 CO -0.10 0.48 0.07 -0.07 -1.65 0.00 0.00 177.43 176.15 1h2o h LEU 143 N 0.96 1.00 -1.27 1.61 3.38 -1.35 -2.49 115.31 117.15 1h2o h LEU 143 Ca 0.47 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 1h2o h LEU 143 Cb 0.45 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1h2o h LEU 143 CO -0.26 1.02 0.14 -0.26 0.09 0.00 0.00 178.44 179.17 1h2o h PHE 144 N 0.97 0.65 0.00 1.13 0.04 -0.25 -0.59 116.94 118.90 1h2o h PHE 144 Ca 0.19 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.92 1h2o h PHE 144 Cb 0.46 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.41 1h2o h PHE 144 CO 0.03 0.54 0.00 1.17 -0.60 0.00 0.00 178.31 179.45 1h2o n LYS 145 N -4.34 0.12 0.09 1.51 4.81 -0.69 -2.58 118.16 117.08 1h2o n LYS 145 Ca 0.03 0.31 -0.20 0.00 -0.87 0.00 0.00 58.31 57.58 1h2o n LYS 145 Cb 0.18 -1.70 -0.15 0.00 0.02 0.00 0.00 35.03 33.38 1h2o n LYS 145 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1h2o h LEU 146 N 0.00 0.53 -0.18 3.14 3.38 -0.90 -2.85 115.31 118.43 1h2o h LEU 146 Ca 0.00 -0.69 -0.04 0.00 0.09 0.00 0.00 57.88 57.24 1h2o h LEU 146 Cb 0.37 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1h2o h LEU 146 CO 0.00 1.56 -0.05 0.40 0.09 0.00 0.00 178.44 180.44 1h2o h ILE 147 N 0.09 1.29 -0.53 1.22 2.04 -1.33 -1.08 117.51 119.21 1h2o h ILE 147 Ca -0.25 -1.03 0.05 0.00 1.00 0.00 0.00 64.86 64.62 1h2o h ILE 147 Cb 2.06 1.60 -0.05 0.00 -0.74 0.00 0.00 36.82 39.70 1h2o h ILE 147 CO 0.19 0.31 0.26 -0.33 0.00 0.00 0.00 178.15 178.59 1h2o h GLU 148 N 0.06 0.49 -0.55 2.37 5.08 -1.61 -1.02 114.58 119.41 1h2o h GLU 148 Ca 0.04 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1h2o h GLU 148 Cb 0.50 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1h2o h GLU 148 CO 0.02 0.33 0.19 1.15 -1.00 0.00 0.00 179.01 179.70 1h2o h THR 149 N 0.51 1.21 -0.55 1.13 2.02 -1.37 0.84 112.91 116.71 1h2o h THR 149 Ca 0.24 -0.69 0.08 0.00 0.77 0.00 0.00 66.41 66.82 1h2o h THR 149 Cb 0.16 0.58 -0.07 0.00 -1.74 0.00 0.00 68.15 67.09 1h2o h THR 149 CO -0.17 0.27 0.18 0.22 0.37 0.00 0.00 175.52 176.38 1h2o h TYR 150 N 0.80 0.31 0.09 3.16 3.20 0.16 -1.12 116.97 123.57 1h2o h TYR 150 Ca 0.19 0.03 -0.26 0.00 3.14 0.00 0.00 58.73 61.83 1h2o h TYR 150 Cb 0.20 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.41 1h2o h TYR 150 CO 0.01 0.07 -1.18 -0.07 -1.64 0.00 0.00 178.16 175.36 1h2o h LEU 151 N 0.35 0.31 -1.78 2.82 3.38 -1.10 0.31 115.31 119.59 1h2o h LEU 151 Ca 0.27 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1h2o h LEU 151 Cb 0.33 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1h2o h LEU 151 CO -0.29 1.26 0.00 0.50 0.09 0.00 0.00 178.44 180.00 1h2o h LYS 152 N 0.06 0.00 0.00 1.13 3.64 -0.18 -2.90 116.57 118.31 1h2o h LYS 152 Ca -0.10 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.19 1h2o h LYS 152 Cb 1.92 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.72 1h2o h LYS 152 CO 0.18 0.00 -1.33 0.41 -2.27 0.00 0.00 179.45 176.45 1h2o n GLY 153 N -0.88 -0.22 3.22 5.01 0.00 -0.48 -4.88 105.19 106.96 1h2o n GLY 153 Ca -0.01 -0.08 -0.42 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 -2.12 3.51 -2.00 1.61 3.76 0.11 -4.89 115.29 115.28 1h2o s HIS 154 Ca -0.03 -2.12 0.08 0.00 -0.15 0.00 0.00 55.06 52.84 1h2o s HIS 154 Cb 0.01 -3.53 0.49 0.00 1.11 0.00 0.00 32.58 30.66 1h2o s HIS 154 CO 0.19 -0.95 1.06 -0.35 -0.85 0.00 0.00 174.74 173.84 1h2o n PRO 155 N 4.23 0.68 0.00 8.40 -0.04 -1.25 -2.49 135.00 144.53 1h2o n PRO 155 Ca 0.03 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.51 1h2o n PRO 155 Cb 0.42 -1.19 -0.02 0.00 -0.04 0.00 0.00 33.50 32.67 1h2o n PRO 155 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1h2o n ASP 156 N -0.69 0.45 -4.50 3.54 8.00 -1.26 -4.69 116.55 117.40 1h2o n ASP 156 Ca 0.06 -0.73 -0.45 0.00 0.71 0.00 0.00 54.79 54.39 1h2o n ASP 156 Cb 0.03 0.82 -0.06 0.00 -0.02 0.00 0.00 41.12 41.88 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 -0.86 1.05 -2.17 2.24 0.00 -1.04 -2.31 120.51 117.42 1h2o n ALA 157 Ca 0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 53.44 53.12 1h2o n ALA 157 Cb 0.09 -2.74 -0.00 0.00 0.00 0.00 0.00 19.45 16.80 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 11.67 -1.60 -0.96 0.00 0.18 -1.26 -5.01 117.16 120.18 1h2o n TYR 158 Ca 0.41 0.01 0.00 0.00 1.88 0.00 0.00 57.90 60.21 1h2o n TYR 158 Cb 0.32 -0.83 0.00 0.00 -0.38 0.00 0.00 39.34 38.45 1h2o n TYR 158 CO 0.00 0.00 0.00 -1.71 -2.08 0.00 0.00 176.86 173.07