#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 4.41 0.52 1.61 0.11 -1.25 -4.61 120.40 121.19 1h2o s VAL 2 Ca 0.00 1.45 0.02 0.00 -2.93 0.00 0.00 61.98 60.51 1h2o s VAL 2 Cb 0.00 -3.63 0.03 0.00 -1.53 0.00 0.00 36.38 31.24 1h2o s VAL 2 CO 0.00 -0.27 0.74 -0.36 -3.33 0.00 0.00 175.10 171.88 1h2o s PHE 3 N -2.11 2.92 -0.23 1.54 0.40 -0.87 -4.84 117.98 114.79 1h2o s PHE 3 Ca 0.60 0.00 -0.04 0.00 -0.60 0.00 0.00 56.93 56.89 1h2o s PHE 3 Cb -0.10 -2.65 0.08 0.00 0.51 0.00 0.00 43.02 40.86 1h2o s PHE 3 CO 0.14 -0.75 0.11 0.99 0.70 0.00 0.00 175.22 176.41 1h2o s THR 4 N -2.70 -0.07 0.03 0.64 2.01 -1.26 -2.76 115.64 111.53 1h2o s THR 4 Ca 0.56 -0.46 0.06 0.00 0.31 0.00 0.00 61.69 62.15 1h2o s THR 4 Cb -0.10 -0.78 -0.03 0.00 0.01 0.00 0.00 72.50 71.60 1h2o s THR 4 CO 0.38 -0.50 -0.14 -0.31 -0.69 0.00 0.00 174.62 173.36 1h2o s TYR 5 N 2.12 2.68 0.05 4.92 2.02 -0.70 -4.98 117.35 123.46 1h2o s TYR 5 Ca 0.05 -0.18 0.03 0.00 -0.37 0.00 0.00 57.07 56.61 1h2o s TYR 5 Cb -0.16 -1.52 -0.03 0.00 -0.40 0.00 0.00 41.96 39.85 1h2o s TYR 5 CO -0.23 0.29 -0.10 -1.83 -1.57 0.00 0.00 175.55 172.12 1h2o s GLU 6 N -1.41 0.64 0.34 -0.62 -1.05 -1.26 -0.58 118.70 114.76 1h2o s GLU 6 Ca 0.15 -0.85 0.05 0.00 -0.15 0.00 0.00 54.97 54.17 1h2o s GLU 6 Cb -0.11 -0.46 -0.07 0.00 -0.44 0.00 0.00 34.13 33.06 1h2o s GLU 6 CO 0.06 0.09 0.03 -1.54 0.95 0.00 0.00 175.26 174.85 1h2o s SER 7 N -1.70 2.76 -0.23 0.83 1.04 0.27 -4.96 113.70 111.70 1h2o s SER 7 Ca -0.06 -1.35 -0.06 0.00 0.48 0.00 0.00 55.95 54.95 1h2o s SER 7 Cb -0.09 -0.17 0.11 0.00 0.10 0.00 0.00 66.02 65.97 1h2o s SER 7 CO 0.01 -0.54 0.46 -1.61 0.98 0.00 0.00 173.24 172.54 1h2o s GLU 8 N -3.83 0.39 0.28 4.02 2.02 -1.26 -2.37 118.70 117.95 1h2o s GLU 8 Ca 0.35 1.01 0.04 0.00 0.02 0.00 0.00 54.97 56.39 1h2o s GLU 8 Cb 0.08 0.28 -0.01 0.00 0.10 0.00 0.00 34.13 34.58 1h2o s GLU 8 CO 0.16 -0.35 0.29 1.97 0.02 0.00 0.00 175.26 177.34 1h2o n PHE 9 N 5.40 -0.85 -4.37 1.61 -1.74 -0.94 -5.00 117.46 111.57 1h2o n PHE 9 Ca -0.07 -2.21 -0.22 0.00 -0.56 0.00 0.00 57.45 54.38 1h2o n PHE 9 Cb 0.50 0.31 -0.08 0.00 1.52 0.00 0.00 39.48 41.73 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 -3.01 0.17 0.14 1.97 -4.23 -1.26 0.64 115.64 110.06 1h2o s THR 10 Ca 0.30 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.58 1h2o s THR 10 Cb 0.01 -2.42 0.07 0.00 1.34 0.00 0.00 72.50 71.50 1h2o s THR 10 CO 0.22 0.00 0.61 -0.55 -0.54 0.00 0.00 174.62 174.35 1h2o s SER 11 N -3.47 -0.58 0.07 3.99 0.15 0.33 -4.84 113.70 109.34 1h2o s SER 11 Ca 0.34 0.06 0.26 0.00 0.70 0.00 0.00 55.95 57.32 1h2o s SER 11 Cb 0.02 0.59 0.69 0.00 -1.71 0.00 0.00 66.02 65.61 1h2o s SER 11 CO 0.24 -0.94 1.57 -0.62 1.20 0.00 0.00 173.24 174.69 1h2o n GLU 12 N -0.27 0.12 -3.22 5.44 1.02 -1.26 0.26 120.64 122.74 1h2o n GLU 12 Ca -0.17 0.06 -0.32 0.00 -0.02 0.00 0.00 57.16 56.71 1h2o n GLU 12 Cb 0.64 -1.60 -0.05 0.00 -0.02 0.00 0.00 31.44 30.41 1h2o n GLU 12 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1h2o s ILE 13 N -3.06 4.82 0.33 -3.67 1.09 -1.26 -4.68 121.20 114.77 1h2o s ILE 13 Ca 0.10 0.65 -0.29 0.00 -1.10 0.00 0.00 60.65 60.02 1h2o s ILE 13 Cb 0.16 -3.64 -0.10 0.00 -1.06 0.00 0.00 42.46 37.82 1h2o s ILE 13 CO 0.65 -0.20 1.31 -2.16 -0.10 0.00 0.00 174.94 174.44 1h2o s PRO 14 N -3.08 4.35 0.25 2.79 0.04 -1.26 -4.13 135.00 133.95 1h2o s PRO 14 Ca 0.50 2.23 0.10 0.00 0.04 0.00 0.00 61.00 63.87 1h2o s PRO 14 Cb -0.11 -3.07 0.29 0.00 0.04 0.00 0.00 34.50 31.65 1h2o s PRO 14 CO 0.22 -0.20 1.57 -1.00 0.04 0.00 0.00 177.00 177.63 1h2o h PRO 15 N 3.40 0.00 0.00 0.56 0.13 -1.93 -2.78 132.00 131.39 1h2o h PRO 15 Ca -0.49 -0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.59 1h2o h PRO 15 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1h2o h PRO 15 CO 0.66 0.66 -0.21 -1.00 -0.23 0.00 0.00 178.00 177.88 1h2o h PRO 16 N 0.00 0.00 0.12 1.56 0.13 -1.95 0.19 132.00 132.06 1h2o h PRO 16 Ca -0.01 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.92 1h2o h PRO 16 Cb 1.17 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.31 1h2o h PRO 16 CO 0.09 0.21 -0.94 0.00 -0.23 0.00 0.00 178.00 177.12 1h2o h ARG 17 N 0.00 0.25 -0.22 0.86 3.08 -1.90 -2.83 114.38 113.62 1h2o h ARG 17 Ca -0.00 -0.43 -0.09 0.00 0.07 0.00 0.00 59.98 59.53 1h2o h ARG 17 Cb 0.75 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 1h2o h ARG 17 CO 0.03 1.21 -0.25 1.25 -1.07 0.00 0.00 179.97 181.13 1h2o h LEU 18 N -0.42 0.42 0.62 3.04 7.12 -1.41 -2.63 115.31 122.05 1h2o h LEU 18 Ca -0.19 -0.14 -0.03 0.00 0.13 0.00 0.00 57.88 57.66 1h2o h LEU 18 Cb 1.62 -0.11 0.00 0.00 -0.53 0.00 0.00 40.66 41.64 1h2o h LEU 18 CO 0.10 0.67 -0.33 0.15 -0.13 0.00 0.00 178.44 178.91 1h2o h PHE 19 N 0.38 -0.86 -0.95 1.25 3.57 -0.68 1.05 116.94 120.70 1h2o h PHE 19 Ca 0.06 -0.02 0.18 0.00 3.53 0.00 0.00 57.97 61.72 1h2o h PHE 19 Cb 0.64 0.29 -0.08 0.00 2.79 0.00 0.00 35.95 39.59 1h2o h PHE 19 CO 0.02 -0.52 0.60 0.87 -2.23 0.00 0.00 178.31 177.06 1h2o h LYS 20 N -0.87 0.62 -0.01 1.11 1.57 -1.39 0.17 116.57 117.76 1h2o h LYS 20 Ca -0.08 -0.04 -0.17 0.00 -1.87 0.00 0.00 60.65 58.49 1h2o h LYS 20 Cb 0.69 -0.14 0.01 0.00 0.08 0.00 0.00 32.23 32.87 1h2o h LYS 20 CO 0.12 0.41 -0.67 0.00 -0.57 0.00 0.00 179.45 178.73 1h2o h ALA 21 N 1.61 0.10 -0.28 3.86 0.00 -1.00 1.95 119.26 125.50 1h2o h ALA 21 Ca 0.51 -0.59 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1h2o h ALA 21 Cb 0.93 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1h2o h ALA 21 CO -0.26 0.42 0.04 0.35 0.00 0.00 0.00 179.25 179.80 1h2o h PHE 22 N 0.01 0.50 0.00 0.00 3.57 0.23 0.81 116.94 122.06 1h2o h PHE 22 Ca -0.08 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.35 1h2o h PHE 22 Cb 1.37 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.97 1h2o h PHE 22 CO 0.14 0.58 -0.72 0.28 -2.23 0.00 0.00 178.31 176.35 1h2o n VAL 23 N -4.64 1.32 0.31 1.41 0.31 0.47 -3.55 118.33 113.94 1h2o n VAL 23 Ca -0.03 0.21 0.06 0.00 -0.01 0.00 0.00 64.34 64.58 1h2o n VAL 23 Cb 0.22 -2.12 0.29 0.00 -0.91 0.00 0.00 33.84 31.31 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 -4.10 0.18 -2.73 7.52 4.32 -0.18 -3.34 117.00 118.67 1h2o n LEU 24 Ca -0.10 0.56 -0.04 0.00 -0.02 0.00 0.00 56.01 56.41 1h2o n LEU 24 Cb 0.37 -0.55 0.08 0.00 -1.62 0.00 0.00 43.42 41.70 1h2o n LEU 24 CO 0.15 -0.45 0.21 0.47 -1.22 0.00 0.00 177.39 176.54 1h2o n ASP 25 N -1.72 0.22 0.16 -1.43 8.00 0.65 -4.87 116.55 117.55 1h2o n ASP 25 Ca 0.02 -2.31 0.08 0.00 0.71 0.00 0.00 54.79 53.28 1h2o n ASP 25 Cb 0.12 0.04 0.07 0.00 -0.02 0.00 0.00 41.12 41.33 1h2o n ASP 25 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h2o h ALA 26 N 2.22 0.78 0.00 2.24 0.00 -0.84 -2.57 119.26 121.09 1h2o h ALA 26 Ca -0.23 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1h2o h ALA 26 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1h2o h ALA 26 CO 0.13 0.29 0.00 -0.44 0.00 0.00 0.00 179.25 179.23 1h2o h ASP 27 N 0.00 0.00 0.00 0.00 3.32 -1.86 -2.95 116.42 114.93 1h2o h ASP 27 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1h2o h ASP 27 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1h2o h ASP 27 CO 0.02 0.00 -0.04 -0.46 -1.72 0.00 0.00 179.24 177.04 1h2o n ASN 28 N -3.07 1.55 -0.11 6.45 0.23 -1.22 -4.37 115.26 114.71 1h2o n ASN 28 Ca 0.00 -2.07 -0.19 0.00 -0.53 0.00 0.00 54.58 51.79 1h2o n ASN 28 Cb 0.27 -0.12 -0.07 0.00 -2.08 0.00 0.00 39.78 37.78 1h2o n ASN 28 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1h2o n LEU 29 N -0.58 1.92 -0.08 -4.53 7.99 -0.97 -3.74 117.00 117.00 1h2o n LEU 29 Ca 0.04 0.39 -0.14 0.00 -0.01 0.00 0.00 56.01 56.29 1h2o n LEU 29 Cb 0.42 -0.83 -0.05 0.00 -0.11 0.00 0.00 43.42 42.86 1h2o n LEU 29 CO 0.00 0.15 0.54 0.58 -1.51 0.00 0.00 177.39 177.15 1h2o h VAL 30 N -1.00 1.31 0.00 4.08 2.07 -1.84 0.19 116.25 121.06 1h2o h VAL 30 Ca -0.35 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 65.66 1h2o h VAL 30 Cb 1.25 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 1h2o h VAL 30 CO -0.21 0.48 0.00 -0.81 0.02 0.00 0.00 177.57 177.04 1h2o n PRO 31 N -4.26 0.97 0.00 1.57 -0.04 -1.26 -2.65 135.00 129.32 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 0.49 -1.09 0.00 0.00 -0.04 0.00 0.00 33.50 32.86 1h2o n PRO 31 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1h2o n LYS 32 N -0.59 2.51 0.11 0.54 4.81 -1.06 -4.62 118.16 119.87 1h2o n LYS 32 Ca 0.04 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.31 1h2o n LYS 32 Cb 0.02 -0.86 -0.14 0.00 0.02 0.00 0.00 35.03 34.07 1h2o n LYS 32 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1h2o h ILE 33 N 0.00 1.47 -0.97 3.15 2.04 -0.66 -3.44 117.51 119.10 1h2o h ILE 33 Ca 0.00 -2.99 0.04 0.00 1.00 0.00 0.00 64.86 62.90 1h2o h ILE 33 Cb 0.73 2.93 -0.21 0.00 -0.74 0.00 0.00 36.82 39.53 1h2o h ILE 33 CO 0.00 0.88 -0.37 0.00 0.00 0.00 0.00 178.15 178.66 1h2o s ALA 34 N -2.68 -2.47 -2.00 1.87 0.00 -1.09 -4.99 121.76 110.40 1h2o s ALA 34 Ca -0.05 1.06 0.20 0.00 0.00 0.00 0.00 51.96 53.18 1h2o s ALA 34 Cb 0.07 -2.56 1.22 0.00 0.00 0.00 0.00 23.12 21.85 1h2o s ALA 34 CO 0.89 -1.85 1.61 -0.35 0.00 0.00 0.00 175.76 176.06 1h2o n PRO 35 N 5.39 0.65 0.04 0.00 -0.04 -1.26 -2.51 135.00 137.27 1h2o n PRO 35 Ca 0.05 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.64 1h2o n PRO 35 Cb 0.54 -1.49 0.29 0.00 -0.04 0.00 0.00 33.50 32.80 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 -0.99 0.18 -0.13 0.54 6.02 -1.26 -4.20 117.38 117.53 1h2o n GLN 36 Ca 0.15 0.07 -0.28 0.00 -0.01 0.00 0.00 57.00 56.94 1h2o n GLN 36 Cb 0.07 -1.63 -0.10 0.00 1.02 0.00 0.00 30.24 29.59 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 -1.70 1.15 -2.79 -1.58 0.00 -1.05 -4.26 120.51 110.29 1h2o n ALA 37 Ca 0.05 -1.02 -0.21 0.00 0.00 0.00 0.00 53.44 52.26 1h2o n ALA 37 Cb 0.40 0.02 -0.15 0.00 0.00 0.00 0.00 19.45 19.72 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 -2.49 0.96 0.13 0.00 1.09 -1.25 -3.26 121.20 116.39 1h2o s ILE 38 Ca -0.37 -0.49 -0.11 0.00 -1.10 0.00 0.00 60.65 58.58 1h2o s ILE 38 Cb 0.13 -0.82 -0.08 0.00 -1.06 0.00 0.00 42.46 40.63 1h2o s ILE 38 CO 0.51 0.28 1.43 0.50 -0.10 0.00 0.00 174.94 177.56 1h2o h LYS 39 N 6.08 0.88 0.00 2.79 3.64 -1.33 -3.41 116.57 125.23 1h2o h LYS 39 Ca -0.33 -0.54 0.00 0.00 -1.27 0.00 0.00 60.65 58.51 1h2o h LYS 39 Cb 1.17 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1h2o h LYS 39 CO 0.49 1.17 0.00 -2.39 -2.27 0.00 0.00 179.45 176.45 1h2o n HIS 40 N -4.01 0.00 -5.16 1.91 1.44 -1.26 -4.89 115.22 103.25 1h2o n HIS 40 Ca -0.04 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.36 1h2o n HIS 40 Cb 0.61 0.00 -0.17 0.00 0.12 0.00 0.00 29.99 30.55 1h2o n HIS 40 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 1h2o s SER 41 N 0.00 2.93 -0.14 4.39 0.01 -1.26 -1.34 113.70 118.28 1h2o s SER 41 Ca 0.00 -0.52 -0.02 0.00 1.31 0.00 0.00 55.95 56.72 1h2o s SER 41 Cb 0.00 -1.18 0.05 0.00 0.21 0.00 0.00 66.02 65.10 1h2o s SER 41 CO 0.00 0.17 0.02 -0.70 0.41 0.00 0.00 173.24 173.14 1h2o s GLU 42 N 0.22 0.62 0.35 12.44 2.12 -1.17 -4.82 118.70 128.46 1h2o s GLU 42 Ca -0.14 -0.18 -0.29 0.00 0.36 0.00 0.00 54.97 54.72 1h2o s GLU 42 Cb -0.16 -1.62 -0.11 0.00 0.26 0.00 0.00 34.13 32.49 1h2o s GLU 42 CO 0.07 -0.50 1.53 0.42 -0.54 0.00 0.00 175.26 176.24 1h2o s ILE 43 N 1.92 2.04 -0.08 -3.70 1.01 -1.26 -1.48 121.20 119.65 1h2o s ILE 43 Ca 0.02 0.04 0.08 0.00 0.00 0.00 0.00 60.65 60.78 1h2o s ILE 43 Cb -0.15 -3.02 -0.11 0.00 0.01 0.00 0.00 42.46 39.19 1h2o s ILE 43 CO -0.07 0.01 0.04 0.18 0.00 0.00 0.00 174.94 175.10 1h2o n LEU 44 N 1.02 0.00 -4.42 2.97 4.77 0.69 -4.85 117.00 117.18 1h2o n LEU 44 Ca 0.03 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.80 1h2o n LEU 44 Cb 0.39 0.19 -0.10 0.00 -2.33 0.00 0.00 43.42 41.56 1h2o n LEU 44 CO 0.64 0.19 -0.38 0.26 -1.33 0.00 0.00 177.39 176.77 1h2o s TRP 45 N -2.23 1.95 0.00 -1.77 0.52 -0.83 -4.83 118.94 111.75 1h2o s TRP 45 Ca -0.04 -0.66 0.00 0.00 0.02 0.00 0.00 56.10 55.42 1h2o s TRP 45 Cb 0.03 -1.07 0.00 0.00 -1.15 0.00 0.00 33.47 31.27 1h2o s TRP 45 CO 0.35 0.32 0.00 0.41 0.02 0.00 0.00 176.95 178.05 1h2o n GLY 46 N -0.56 1.62 0.58 0.98 0.00 -1.26 -3.23 105.19 103.31 1h2o n GLY 46 Ca -0.06 -0.24 -0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.14 -0.01 0.00 1.61 9.92 -1.26 -4.95 116.55 120.72 1h2o n ASP 47 Ca 0.00 -1.50 0.00 0.00 -0.53 0.00 0.00 54.79 52.76 1h2o n ASP 47 Cb 0.00 -0.08 0.00 0.00 -0.64 0.00 0.00 41.12 40.40 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 0.02 1.95 1.04 0.44 0.00 -1.26 -5.11 105.19 102.27 1h2o n GLY 48 Ca -0.01 0.00 -0.09 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 -2.15 3.71 -0.02 0.00 -1.26 -4.87 105.19 100.60 1h2o n GLY 49 Ca 0.00 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 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 -3.76 4.36 0.00 1.61 0.04 -1.26 -2.54 135.00 133.45 1h2o s PRO 50 Ca 0.21 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.16 1h2o s PRO 50 Cb -0.02 -3.37 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1h2o s PRO 50 CO 0.16 -0.40 0.00 0.41 0.04 0.00 0.00 177.00 177.21 1h2o n GLY 51 N 3.42 1.52 3.77 0.56 0.00 -0.21 -4.98 105.19 109.27 1h2o n GLY 51 Ca 0.11 0.00 -0.31 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 -2.31 3.26 -0.10 2.61 2.01 -1.05 -4.65 115.64 115.42 1h2o s THR 52 Ca 0.00 0.41 -0.00 0.00 0.31 0.00 0.00 61.69 62.41 1h2o s THR 52 Cb 0.00 -2.95 0.02 0.00 0.01 0.00 0.00 72.50 69.59 1h2o s THR 52 CO 0.00 -0.54 -0.06 -0.63 -0.69 0.00 0.00 174.62 172.70 1h2o s ILE 53 N -2.95 0.90 -0.08 1.82 1.01 -1.20 0.02 121.20 120.73 1h2o s ILE 53 Ca 0.61 -0.22 -0.02 0.00 0.00 0.00 0.00 60.65 61.02 1h2o s ILE 53 Cb -0.17 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.33 1h2o s ILE 53 CO 0.56 0.34 0.03 -0.54 0.00 0.00 0.00 174.94 175.34 1h2o s LYS 54 N 1.69 3.05 -0.76 2.79 1.02 0.40 0.25 119.74 128.19 1h2o s LYS 54 Ca 0.04 -0.38 -0.07 0.00 0.02 0.00 0.00 55.97 55.57 1h2o s LYS 54 Cb -0.13 -2.86 0.20 0.00 -0.52 0.00 0.00 37.83 34.52 1h2o s LYS 54 CO -0.07 0.70 0.64 0.21 -0.92 0.00 0.00 175.35 175.91 1h2o s LYS 55 N -1.06 3.12 0.18 1.68 2.20 -0.55 0.15 119.74 125.46 1h2o s LYS 55 Ca 0.15 -2.63 -0.30 0.00 -0.36 0.00 0.00 55.97 52.83 1h2o s LYS 55 Cb -0.12 -4.06 -0.08 0.00 -1.51 0.00 0.00 37.83 32.07 1h2o s LYS 55 CO 0.05 -1.23 0.95 0.42 -0.36 0.00 0.00 175.35 175.18 1h2o s ILE 56 N -0.20 4.26 0.29 5.43 1.01 0.19 -3.04 121.20 129.13 1h2o s ILE 56 Ca 0.19 2.07 0.08 0.00 0.00 0.00 0.00 60.65 62.99 1h2o s ILE 56 Cb -0.15 -4.32 -0.04 0.00 0.01 0.00 0.00 42.46 37.97 1h2o s ILE 56 CO -0.07 0.41 0.14 0.42 0.00 0.00 0.00 174.94 175.84 1h2o s THR 57 N -0.62 3.71 -0.13 2.92 -4.23 -0.45 0.11 115.64 116.95 1h2o s THR 57 Ca 0.44 -1.62 0.01 0.00 -1.18 0.00 0.00 61.69 59.34 1h2o s THR 57 Cb -0.25 -3.11 -0.01 0.00 1.34 0.00 0.00 72.50 70.47 1h2o s THR 57 CO 0.31 -0.30 -0.15 -0.36 -0.54 0.00 0.00 174.62 173.58 1h2o s PHE 58 N -2.28 2.76 0.10 3.99 0.08 0.84 -1.12 117.98 122.35 1h2o s PHE 58 Ca 0.35 -0.83 0.23 0.00 0.12 0.00 0.00 56.93 56.80 1h2o s PHE 58 Cb -0.06 -1.83 0.85 0.00 -0.57 0.00 0.00 43.02 41.40 1h2o s PHE 58 CO 0.23 -0.32 1.79 0.78 -0.10 0.00 0.00 175.22 177.60 1h2o h GLY 59 N 6.88 0.00 -4.88 4.36 0.00 -1.77 -3.39 103.07 104.27 1h2o h GLY 59 Ca -0.26 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.46 1h2o h GLY 59 CO 0.54 0.00 -0.26 1.85 0.00 0.00 0.00 176.54 178.67 1h2o s GLU 60 N -3.59 3.78 0.00 4.80 2.12 -1.26 -4.97 118.70 119.57 1h2o s GLU 60 Ca 0.01 0.23 0.00 0.00 0.36 0.00 0.00 54.97 55.56 1h2o s GLU 60 Cb 0.10 -3.11 0.00 0.00 0.26 0.00 0.00 34.13 31.38 1h2o s GLU 60 CO 0.64 0.64 0.00 0.41 -0.54 0.00 0.00 175.26 176.42 1h2o n GLY 61 N 1.39 4.17 0.33 -1.50 0.00 -1.26 -4.61 105.19 103.70 1h2o n GLY 61 Ca -0.12 -0.83 0.03 0.00 0.00 0.00 0.00 46.02 45.10 1h2o n GLY 61 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1h2o h SER 62 N 0.00 0.62 0.00 1.61 0.02 -1.99 -3.43 113.55 110.38 1h2o h SER 62 Ca 0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1h2o h SER 62 Cb 0.00 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.39 1h2o h SER 62 CO 0.00 0.45 0.00 1.67 -1.14 0.00 0.00 176.83 177.81 1h2o n GLN 63 N -4.45 0.00 -4.66 3.45 7.27 -1.26 -5.12 117.38 112.60 1h2o n GLN 63 Ca 0.05 0.00 -0.25 0.00 0.07 0.00 0.00 57.00 56.87 1h2o n GLN 63 Cb 0.06 0.00 -0.16 0.00 2.41 0.00 0.00 30.24 32.54 1h2o n GLN 63 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 1h2o s TYR 64 N 0.00 1.53 -0.07 3.69 2.02 -1.26 -5.07 117.35 118.20 1h2o s TYR 64 Ca 0.00 -0.53 -0.02 0.00 -0.37 0.00 0.00 57.07 56.15 1h2o s TYR 64 Cb 0.00 -1.09 0.03 0.00 -0.40 0.00 0.00 41.96 40.50 1h2o s TYR 64 CO 0.00 -0.24 0.03 0.20 -1.57 0.00 0.00 175.55 173.97 1h2o s GLY 65 N 0.46 0.37 0.25 0.71 0.00 -1.26 -5.04 107.32 102.81 1h2o s GLY 65 Ca -0.11 -0.02 -0.19 0.00 0.00 0.00 0.00 44.72 44.39 1h2o s GLY 65 CO 0.03 1.29 0.64 -2.52 0.00 0.00 0.00 173.10 172.54 1h2o s TYR 66 N 2.06 -0.11 0.25 1.90 -0.85 -1.26 0.29 117.35 119.63 1h2o s TYR 66 Ca 0.05 -0.30 0.02 0.00 -0.52 0.00 0.00 57.07 56.32 1h2o s TYR 66 Cb -0.13 0.57 -0.04 0.00 0.38 0.00 0.00 41.96 42.74 1h2o s TYR 66 CO -0.05 -1.13 0.18 0.14 -1.52 0.00 0.00 175.55 173.18 1h2o s VAL 67 N -3.92 0.04 -0.16 -3.49 -7.23 0.31 -4.21 120.40 101.73 1h2o s VAL 67 Ca 0.12 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.29 1h2o s VAL 67 Cb -0.04 -2.50 0.03 0.00 0.56 0.00 0.00 36.38 34.43 1h2o s VAL 67 CO 0.05 0.00 -0.12 -0.54 -0.31 0.00 0.00 175.10 174.18 1h2o s LYS 68 N -3.90 2.09 -0.22 4.82 1.02 -1.23 -0.64 119.74 121.68 1h2o s LYS 68 Ca 0.39 -0.63 -0.08 0.00 0.02 0.00 0.00 55.97 55.67 1h2o s LYS 68 Cb 0.05 -2.17 -0.04 0.00 -0.52 0.00 0.00 37.83 35.16 1h2o s LYS 68 CO 0.18 -0.32 0.09 -1.01 -0.92 0.00 0.00 175.35 173.36 1h2o s HIS 69 N 1.48 3.20 -0.47 3.18 3.76 0.39 -1.66 115.29 125.17 1h2o s HIS 69 Ca 0.03 -0.06 -0.17 0.00 -0.15 0.00 0.00 55.06 54.70 1h2o s HIS 69 Cb -0.14 -2.17 0.06 0.00 1.11 0.00 0.00 32.58 31.43 1h2o s HIS 69 CO -0.09 -0.05 0.46 0.21 -0.85 0.00 0.00 174.74 174.42 1h2o s LYS 70 N 0.96 3.04 0.12 1.40 2.20 0.48 0.15 119.74 128.09 1h2o s LYS 70 Ca 0.05 -1.09 -0.34 0.00 -0.36 0.00 0.00 55.97 54.23 1h2o s LYS 70 Cb -0.14 -4.08 -0.17 0.00 -1.51 0.00 0.00 37.83 31.93 1h2o s LYS 70 CO 0.03 -1.03 1.02 -0.89 -0.36 0.00 0.00 175.35 174.12 1h2o n ILE 71 N 5.36 0.79 -0.07 5.43 2.08 0.10 0.13 119.36 133.19 1h2o n ILE 71 Ca -0.10 -0.20 -0.13 0.00 0.56 0.00 0.00 62.75 62.88 1h2o n ILE 71 Cb 0.45 -0.44 -0.04 0.00 -0.75 0.00 0.00 39.64 38.86 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 1.89 1.39 -3.57 4.38 2.03 0.30 -1.04 116.55 121.93 1h2o n ASP 72 Ca 0.17 0.23 -0.06 0.00 0.52 0.00 0.00 54.79 55.65 1h2o n ASP 72 Cb 0.19 -0.54 -0.02 0.00 -0.72 0.00 0.00 41.12 40.03 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 -6.31 -0.23 0.18 1.67 0.01 0.28 -4.67 113.70 104.63 1h2o s SER 73 Ca -0.22 0.05 -0.11 0.00 1.31 0.00 0.00 55.95 56.98 1h2o s SER 73 Cb 0.07 0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.52 1h2o s SER 73 CO 0.29 -0.35 0.36 -0.51 0.41 0.00 0.00 173.24 173.44 1h2o s ILE 74 N -2.40 0.05 -0.48 1.44 2.07 -1.26 0.17 121.20 120.79 1h2o s ILE 74 Ca 0.07 -1.25 0.04 0.00 -1.41 0.00 0.00 60.65 58.09 1h2o s ILE 74 Cb -0.01 -1.81 0.16 0.00 0.13 0.00 0.00 42.46 40.93 1h2o s ILE 74 CO -0.05 -0.23 0.36 -1.81 -1.91 0.00 0.00 174.94 171.29 1h2o s ASP 75 N -2.95 2.65 0.34 4.50 1.01 0.58 -4.87 116.67 117.94 1h2o s ASP 75 Ca 0.16 -3.14 0.18 0.00 0.71 0.00 0.00 52.55 50.46 1h2o s ASP 75 Cb 0.02 -0.80 0.96 0.00 1.01 0.00 0.00 42.92 44.11 1h2o s ASP 75 CO 0.00 -0.17 1.49 0.11 0.21 0.00 0.00 175.17 176.81 1h2o h LYS 76 N 5.82 0.00 0.00 8.23 1.57 -1.95 2.42 116.57 132.66 1h2o h LYS 76 Ca 0.19 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.66 1h2o h LYS 76 Cb 0.88 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.13 1h2o h LYS 76 CO 0.46 0.00 -1.88 0.39 -0.57 0.00 0.00 179.45 177.85 1h2o n GLU 77 N -2.19 0.65 0.00 3.15 1.02 -1.26 -4.23 120.64 117.78 1h2o n GLU 77 Ca -0.01 0.23 0.05 0.00 -0.02 0.00 0.00 57.16 57.41 1h2o n GLU 77 Cb 0.21 -1.73 0.03 0.00 -0.02 0.00 0.00 31.44 29.93 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 -2.99 1.68 -2.74 1.62 3.02 0.30 -5.00 115.26 111.15 1h2o n ASN 78 Ca -0.21 -1.34 -0.13 0.00 -0.03 0.00 0.00 54.58 52.87 1h2o n ASN 78 Cb 1.08 0.13 0.06 0.00 -0.61 0.00 0.00 39.78 40.44 1h2o n ASN 78 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1h2o n TYR 79 N 0.35 -1.66 -4.45 3.10 4.01 0.79 -4.13 117.16 115.17 1h2o n TYR 79 Ca 0.05 0.68 -0.30 0.00 -0.16 0.00 0.00 57.90 58.18 1h2o n TYR 79 Cb 0.24 -4.16 -0.12 0.00 -0.31 0.00 0.00 39.34 35.00 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 -3.84 3.80 -0.07 7.72 0.01 -0.96 -0.78 113.70 119.58 1h2o s SER 80 Ca 0.07 -0.52 -0.12 0.00 1.31 0.00 0.00 55.95 56.70 1h2o s SER 80 Cb -0.03 -0.54 0.02 0.00 0.21 0.00 0.00 66.02 65.68 1h2o s SER 80 CO 0.52 0.21 0.29 -0.47 0.41 0.00 0.00 173.24 174.20 1h2o s TYR 81 N -1.05 -0.24 -0.08 2.43 5.04 0.39 0.22 117.35 124.05 1h2o s TYR 81 Ca 0.16 0.52 -0.16 0.00 -2.44 0.00 0.00 57.07 55.15 1h2o s TYR 81 Cb -0.10 0.09 0.04 0.00 0.35 0.00 0.00 41.96 42.33 1h2o s TYR 81 CO 0.08 -0.26 0.39 -1.54 -1.34 0.00 0.00 175.55 172.89 1h2o s SER 82 N -0.54 -0.35 0.26 4.32 1.04 0.45 0.20 113.70 119.08 1h2o s SER 82 Ca -0.06 0.50 -0.08 0.00 0.48 0.00 0.00 55.95 56.79 1h2o s SER 82 Cb -0.04 0.59 -0.01 0.00 0.10 0.00 0.00 66.02 66.66 1h2o s SER 82 CO 0.02 -0.32 0.40 -0.72 0.98 0.00 0.00 173.24 173.60 1h2o s TYR 83 N -0.58 0.72 -0.14 5.02 1.13 0.20 0.11 117.35 123.81 1h2o s TYR 83 Ca -0.07 -1.02 0.02 0.00 -1.41 0.00 0.00 57.07 54.59 1h2o s TYR 83 Cb -0.04 -0.05 0.01 0.00 -1.10 0.00 0.00 41.96 40.79 1h2o s TYR 83 CO 0.03 -0.94 -0.19 0.99 -2.51 0.00 0.00 175.55 172.93 1h2o s THR 84 N -3.82 1.83 -0.12 -3.49 2.01 0.34 0.12 115.64 112.50 1h2o s THR 84 Ca 0.28 -0.83 -0.19 0.00 0.31 0.00 0.00 61.69 61.26 1h2o s THR 84 Cb 0.01 -1.65 -0.04 0.00 0.01 0.00 0.00 72.50 70.84 1h2o s THR 84 CO 0.12 0.50 0.53 -0.22 -0.69 0.00 0.00 174.62 174.87 1h2o s LEU 85 N 1.04 4.27 0.00 4.42 2.96 0.33 0.18 118.68 131.88 1h2o s LEU 85 Ca -0.03 0.88 0.10 0.00 -0.22 0.00 0.00 54.13 54.86 1h2o s LEU 85 Cb -0.15 -2.78 0.09 0.00 0.50 0.00 0.00 46.19 43.85 1h2o s LEU 85 CO -0.05 -0.05 0.83 2.30 -1.32 0.00 0.00 176.35 178.06 1h2o n ILE 86 N 3.81 0.06 -3.87 6.68 -5.35 -0.66 -1.30 119.36 118.73 1h2o n ILE 86 Ca -0.05 -0.53 -0.10 0.00 -0.27 0.00 0.00 62.75 61.79 1h2o n ILE 86 Cb 0.51 1.15 -0.09 0.00 -1.74 0.00 0.00 39.64 39.48 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 -0.81 0.66 0.00 6.28 2.12 -1.25 -4.92 118.70 120.78 1h2o s GLU 87 Ca 0.12 -0.68 0.00 0.00 0.36 0.00 0.00 54.97 54.77 1h2o s GLU 87 Cb 0.08 0.27 0.00 0.00 0.26 0.00 0.00 34.13 34.74 1h2o s GLU 87 CO 0.12 -0.18 0.00 0.41 -0.54 0.00 0.00 175.26 175.07 1h2o n GLY 88 N 0.71 3.19 0.26 -1.50 0.00 -1.26 -3.57 105.19 103.01 1h2o n GLY 88 Ca -0.19 -0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.94 1h2o n GLY 88 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1h2o h ASP 89 N 0.00 0.00 0.75 1.61 3.32 -1.97 -1.77 116.42 118.35 1h2o h ASP 89 Ca 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 1h2o h ASP 89 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1h2o h ASP 89 CO 0.00 0.13 -0.28 0.00 -1.72 0.00 0.00 179.24 177.37 1h2o h ALA 90 N 1.87 1.08 -0.47 3.45 0.00 -1.95 -2.91 119.26 120.33 1h2o h ALA 90 Ca -0.00 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1h2o h ALA 90 Cb 0.31 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1h2o h ALA 90 CO 0.02 0.35 0.03 -0.07 0.00 0.00 0.00 179.25 179.57 1h2o h LEU 91 N 0.00 0.72 -0.08 0.00 3.38 -1.69 -3.49 115.31 114.15 1h2o h LEU 91 Ca -0.00 -0.16 0.10 0.00 0.09 0.00 0.00 57.88 57.91 1h2o h LEU 91 Cb 0.73 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1h2o h LEU 91 CO 0.04 0.77 -0.17 0.61 0.09 0.00 0.00 178.44 179.77 1h2o n GLY 92 N -0.73 -1.72 0.00 0.83 0.00 -1.10 -2.28 105.19 100.19 1h2o n GLY 92 Ca 0.03 -1.43 0.10 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.30 0.00 -0.01 1.61 8.00 -1.26 -2.95 116.55 119.64 1h2o n ASP 93 Ca -0.00 -0.37 -0.20 0.00 0.71 0.00 0.00 54.79 54.93 1h2o n ASP 93 Cb 0.17 -0.11 -0.14 0.00 -0.02 0.00 0.00 41.12 41.01 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 -1.11 1.73 -2.35 -3.53 -2.24 -1.26 -4.77 114.28 100.75 1h2o n THR 94 Ca 0.13 -0.67 -0.32 0.00 -2.27 0.00 0.00 64.05 60.92 1h2o n THR 94 Cb 0.10 -1.61 -0.03 0.00 -2.10 0.00 0.00 70.33 66.69 1h2o n THR 94 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1h2o s LEU 95 N -6.87 3.59 0.00 3.22 2.01 -0.97 0.04 118.68 119.71 1h2o s LEU 95 Ca -0.22 1.56 0.00 0.00 0.01 0.00 0.00 54.13 55.49 1h2o s LEU 95 Cb 0.07 -4.51 0.00 0.00 0.01 0.00 0.00 46.19 41.76 1h2o s LEU 95 CO 0.76 -0.62 0.00 1.21 1.01 0.00 0.00 176.35 178.71 1h2o n GLU 96 N -1.69 0.00 -2.71 1.70 2.13 0.87 -4.64 120.64 116.30 1h2o n GLU 96 Ca 0.07 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.46 1h2o n GLU 96 Cb 0.54 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.22 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 0.00 4.41 -0.05 5.31 1.02 -1.19 -4.58 119.74 124.66 1h2o s LYS 97 Ca 0.00 1.36 0.06 0.00 0.02 0.00 0.00 55.97 57.40 1h2o s LYS 97 Cb 0.00 -3.55 -0.02 0.00 -0.52 0.00 0.00 37.83 33.74 1h2o s LYS 97 CO 0.00 -0.32 -0.22 0.42 -0.92 0.00 0.00 175.35 174.31 1h2o s ILE 98 N 2.05 2.39 -0.11 2.17 -1.09 -0.42 -1.15 121.20 125.05 1h2o s ILE 98 Ca 0.47 -0.96 0.03 0.00 -2.23 0.00 0.00 60.65 57.96 1h2o s ILE 98 Cb -0.18 -1.88 -0.00 0.00 -1.58 0.00 0.00 42.46 38.81 1h2o s ILE 98 CO 0.17 0.58 -0.21 -0.44 -1.23 0.00 0.00 174.94 173.81 1h2o s SER 99 N -0.45 3.35 -0.07 3.58 0.01 -1.00 -0.51 113.70 118.61 1h2o s SER 99 Ca 0.05 -0.50 0.04 0.00 1.31 0.00 0.00 55.95 56.85 1h2o s SER 99 Cb -0.12 -1.47 0.00 0.00 0.21 0.00 0.00 66.02 64.64 1h2o s SER 99 CO 0.01 0.16 -0.19 -0.31 0.41 0.00 0.00 173.24 173.32 1h2o s TYR 100 N 0.37 1.99 -0.01 2.43 2.02 0.32 0.01 117.35 124.48 1h2o s TYR 100 Ca -0.16 -0.69 0.02 0.00 -0.37 0.00 0.00 57.07 55.87 1h2o s TYR 100 Cb -0.17 -1.35 -0.00 0.00 -0.40 0.00 0.00 41.96 40.04 1h2o s TYR 100 CO 0.07 -0.27 -0.07 -2.00 -1.57 0.00 0.00 175.55 171.72 1h2o s GLU 101 N 0.24 0.61 -0.05 -0.62 2.12 -0.59 0.59 118.70 121.01 1h2o s GLU 101 Ca -0.10 -0.24 -0.02 0.00 0.36 0.00 0.00 54.97 54.97 1h2o s GLU 101 Cb -0.15 -0.59 0.03 0.00 0.26 0.00 0.00 34.13 33.68 1h2o s GLU 101 CO 0.05 0.12 0.09 0.99 -0.54 0.00 0.00 175.26 175.97 1h2o s THR 102 N -0.03 -0.11 0.11 -1.70 2.01 0.53 0.14 115.64 116.59 1h2o s THR 102 Ca 0.01 0.29 0.09 0.00 0.31 0.00 0.00 61.69 62.39 1h2o s THR 102 Cb -0.04 -0.17 -0.04 0.00 0.01 0.00 0.00 72.50 72.26 1h2o s THR 102 CO -0.00 0.12 -0.19 -0.75 -0.69 0.00 0.00 174.62 173.10 1h2o s LYS 103 N 1.61 1.76 0.10 4.92 2.20 0.49 0.15 119.74 130.96 1h2o s LYS 103 Ca -0.03 -1.18 0.09 0.00 -0.36 0.00 0.00 55.97 54.48 1h2o s LYS 103 Cb -0.12 -2.09 -0.03 0.00 -1.51 0.00 0.00 37.83 34.08 1h2o s LYS 103 CO -0.04 0.48 -0.23 -0.51 -0.36 0.00 0.00 175.35 174.69 1h2o s LEU 104 N -2.05 2.28 0.00 5.43 1.43 0.04 0.10 118.68 125.91 1h2o s LEU 104 Ca 0.17 -0.67 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 1h2o s LEU 104 Cb -0.10 -1.02 0.00 0.00 0.03 0.00 0.00 46.19 45.10 1h2o s LEU 104 CO 0.09 0.12 0.00 0.52 0.23 0.00 0.00 176.35 177.31 1h2o n VAL 105 N 1.20 0.00 -4.08 -1.59 0.31 0.12 -4.61 118.33 109.67 1h2o n VAL 105 Ca -0.19 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.00 1h2o n VAL 105 Cb 0.53 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 33.32 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 -1.53 0.35 0.76 3.52 0.00 -1.26 -1.39 121.76 122.22 1h2o s ALA 106 Ca 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 51.96 51.69 1h2o s ALA 106 Cb 0.00 -0.06 0.15 0.00 0.00 0.00 0.00 23.12 23.21 1h2o s ALA 106 CO 0.00 0.06 1.04 -1.13 0.00 0.00 0.00 175.76 175.73 1h2o n SER 107 N 2.75 1.31 -4.57 0.00 3.41 -1.22 -4.71 113.62 110.59 1h2o n SER 107 Ca -0.14 -2.13 -0.23 0.00 -0.26 0.00 0.00 58.87 56.11 1h2o n SER 107 Cb 0.58 -0.68 -0.07 0.00 -0.26 0.00 0.00 64.21 63.78 1h2o n SER 107 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1h2o s PRO 108 N -5.21 2.13 -1.42 4.33 0.04 -1.26 -3.76 135.00 129.85 1h2o s PRO 108 Ca 0.68 -0.47 -0.15 0.00 0.04 0.00 0.00 61.00 61.09 1h2o s PRO 108 Cb -0.04 -5.06 0.14 0.00 0.04 0.00 0.00 34.50 29.58 1h2o s PRO 108 CO 0.45 -4.14 0.54 -1.13 0.04 0.00 0.00 177.00 172.76 1h2o n SER 109 N 15.93 -2.64 -2.00 6.66 3.41 -1.26 -4.78 113.62 128.94 1h2o n SER 109 Ca 0.43 -0.71 -0.13 0.00 -0.26 0.00 0.00 58.87 58.20 1h2o n SER 109 Cb 0.46 -2.23 0.05 0.00 -0.26 0.00 0.00 64.21 62.24 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 -1.10 4.87 0.66 5.00 0.00 -1.25 -5.08 105.19 108.30 1h2o n GLY 110 Ca 0.06 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.67 1.02 3.23 -0.02 0.00 -1.26 -4.77 105.19 102.72 1h2o n GLY 111 Ca 0.30 -1.53 -0.13 0.00 0.00 0.00 0.00 46.02 44.66 1h2o n GLY 111 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h2o s SER 112 N -4.00 -0.30 0.18 1.61 1.04 0.74 -3.46 113.70 109.52 1h2o s SER 112 Ca 0.00 0.48 -0.11 0.00 0.48 0.00 0.00 55.95 56.80 1h2o s SER 112 Cb 0.00 0.56 -0.07 0.00 0.10 0.00 0.00 66.02 66.61 1h2o s SER 112 CO 0.00 -0.23 0.52 -0.63 0.98 0.00 0.00 173.24 173.88 1h2o s ILE 113 N -0.33 4.95 -0.18 -1.02 1.01 -0.49 0.12 121.20 125.26 1h2o s ILE 113 Ca -0.05 0.55 -0.02 0.00 0.00 0.00 0.00 60.65 61.13 1h2o s ILE 113 Cb -0.03 -3.66 0.05 0.00 0.01 0.00 0.00 42.46 38.84 1h2o s ILE 113 CO 0.02 0.07 0.02 -0.63 0.00 0.00 0.00 174.94 174.42 1h2o s ILE 114 N -1.65 0.58 -0.09 2.92 1.01 0.21 0.13 121.20 124.31 1h2o s ILE 114 Ca 0.42 -0.50 -0.11 0.00 0.00 0.00 0.00 60.65 60.46 1h2o s ILE 114 Cb -0.13 -1.01 -0.05 0.00 0.01 0.00 0.00 42.46 41.28 1h2o s ILE 114 CO 0.20 -0.13 0.26 -0.75 0.00 0.00 0.00 174.94 174.52 1h2o s LYS 115 N 1.84 3.79 0.08 2.79 2.20 0.28 -2.21 119.74 128.51 1h2o s LYS 115 Ca -0.00 0.09 0.03 0.00 -0.36 0.00 0.00 55.97 55.72 1h2o s LYS 115 Cb -0.16 -3.26 -0.03 0.00 -1.51 0.00 0.00 37.83 32.87 1h2o s LYS 115 CO -0.08 0.63 -0.09 0.45 -0.36 0.00 0.00 175.35 175.90 1h2o s SER 116 N -0.70 1.21 0.07 1.43 0.15 -1.00 0.18 113.70 115.05 1h2o s SER 116 Ca 0.18 -0.77 -0.09 0.00 0.70 0.00 0.00 55.95 55.97 1h2o s SER 116 Cb -0.14 0.03 -0.00 0.00 -1.71 0.00 0.00 66.02 64.21 1h2o s SER 116 CO 0.07 -0.28 0.18 -0.89 1.20 0.00 0.00 173.24 173.52 1h2o s THR 117 N -2.34 0.13 -0.16 6.45 2.01 0.37 0.93 115.64 123.04 1h2o s THR 117 Ca 0.02 -1.11 -0.12 0.00 0.31 0.00 0.00 61.69 60.80 1h2o s THR 117 Cb -0.03 -1.20 0.05 0.00 0.01 0.00 0.00 72.50 71.33 1h2o s THR 117 CO -0.01 -0.61 0.40 -0.94 -0.69 0.00 0.00 174.62 172.77 1h2o s SER 118 N -2.60 -0.46 0.10 3.53 1.04 0.26 -1.53 113.70 114.03 1h2o s SER 118 Ca 0.02 0.85 0.10 0.00 0.48 0.00 0.00 55.95 57.39 1h2o s SER 118 Cb 0.03 0.79 -0.04 0.00 0.10 0.00 0.00 66.02 66.91 1h2o s SER 118 CO -0.09 -0.17 -0.26 -1.00 0.98 0.00 0.00 173.24 172.71 1h2o s HIS 119 N 0.81 2.23 -0.17 5.02 3.76 0.10 -1.71 115.29 125.33 1h2o s HIS 119 Ca -0.05 -0.39 0.01 0.00 -0.15 0.00 0.00 55.06 54.48 1h2o s HIS 119 Cb -0.06 -1.26 0.03 0.00 1.11 0.00 0.00 32.58 32.40 1h2o s HIS 119 CO -0.06 0.24 -0.16 0.71 -0.85 0.00 0.00 174.74 174.62 1h2o s TYR 120 N -0.97 2.51 -0.38 1.40 1.51 -1.11 -2.39 117.35 117.91 1h2o s TYR 120 Ca 0.12 -1.50 -0.11 0.00 -1.01 0.00 0.00 57.07 54.57 1h2o s TYR 120 Cb -0.10 -1.75 0.03 0.00 -0.11 0.00 0.00 41.96 40.03 1h2o s TYR 120 CO 0.04 -0.75 0.22 -1.01 -1.11 0.00 0.00 175.55 172.95 1h2o s HIS 121 N 1.37 3.25 0.02 2.71 3.76 -0.30 -2.05 115.29 124.06 1h2o s HIS 121 Ca 0.03 -0.97 -0.20 0.00 -0.15 0.00 0.00 55.06 53.77 1h2o s HIS 121 Cb -0.14 -2.49 -0.06 0.00 1.11 0.00 0.00 32.58 31.01 1h2o s HIS 121 CO -0.11 -0.66 0.59 0.95 -0.85 0.00 0.00 174.74 174.66 1h2o s THR 122 N 1.56 4.85 -0.16 1.30 -4.23 -1.26 -0.09 115.64 117.61 1h2o s THR 122 Ca 0.02 1.24 -0.04 0.00 -1.18 0.00 0.00 61.69 61.74 1h2o s THR 122 Cb -0.19 -3.92 -0.03 0.00 1.34 0.00 0.00 72.50 69.70 1h2o s THR 122 CO 0.07 0.46 -0.04 -0.75 -0.54 0.00 0.00 174.62 173.82 1h2o s LYS 123 N -0.47 3.65 0.00 3.99 2.20 0.11 -4.49 119.74 124.72 1h2o s LYS 123 Ca 0.30 -0.53 0.00 0.00 -0.36 0.00 0.00 55.97 55.38 1h2o s LYS 123 Cb -0.19 -2.91 0.00 0.00 -1.51 0.00 0.00 37.83 33.23 1h2o s LYS 123 CO 0.18 0.22 0.00 0.41 -0.36 0.00 0.00 175.35 175.80 1h2o n GLY 124 N 3.59 1.40 2.52 5.54 0.00 -1.26 -4.63 105.19 112.34 1h2o n GLY 124 Ca -0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.23 -4.22 1.61 5.15 -1.26 -5.05 115.26 108.26 1h2o n ASN 125 Ca 0.00 -0.40 -0.13 0.00 -0.60 0.00 0.00 54.58 53.45 1h2o n ASN 125 Cb 0.00 -3.34 -0.10 0.00 -0.53 0.00 0.00 39.78 35.81 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 -3.23 0.96 0.29 3.44 -7.23 -1.26 -5.16 120.40 108.20 1h2o s VAL 126 Ca 0.12 -2.01 0.10 0.00 -1.81 0.00 0.00 61.98 58.38 1h2o s VAL 126 Cb -0.02 -1.81 -0.06 0.00 0.56 0.00 0.00 36.38 35.06 1h2o s VAL 126 CO 0.45 -0.77 -0.14 -1.61 -0.31 0.00 0.00 175.10 172.71 1h2o s GLU 127 N -3.79 1.68 0.80 4.82 2.02 -1.26 -4.55 118.70 118.41 1h2o s GLU 127 Ca 0.15 -1.81 -0.09 0.00 0.02 0.00 0.00 54.97 53.24 1h2o s GLU 127 Cb 0.04 -1.61 0.11 0.00 0.10 0.00 0.00 34.13 32.77 1h2o s GLU 127 CO -0.01 0.22 1.13 0.42 0.02 0.00 0.00 175.26 177.04 1h2o s ILE 128 N -2.65 2.13 -0.13 -1.63 1.09 -1.26 -5.03 121.20 113.73 1h2o s ILE 128 Ca 0.30 -0.20 -0.03 0.00 -1.10 0.00 0.00 60.65 59.63 1h2o s ILE 128 Cb -0.01 -2.93 -0.03 0.00 -1.06 0.00 0.00 42.46 38.43 1h2o s ILE 128 CO 0.14 0.00 -0.03 -0.54 -0.10 0.00 0.00 174.94 174.41 1h2o s LYS 129 N -5.47 3.38 0.41 2.79 1.02 -1.26 -4.98 119.74 115.63 1h2o s LYS 129 Ca 0.65 -0.50 0.22 0.00 0.02 0.00 0.00 55.97 56.37 1h2o s LYS 129 Cb -0.08 -2.84 1.22 0.00 -0.52 0.00 0.00 37.83 35.61 1h2o s LYS 129 CO 0.48 0.41 1.72 0.93 -0.92 0.00 0.00 175.35 177.97 1h2o h GLU 130 N 6.12 0.27 0.00 1.68 5.08 -1.99 1.05 114.58 126.80 1h2o h GLU 130 Ca -0.38 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 57.92 1h2o h GLU 130 Cb 1.19 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.37 1h2o h GLU 130 CO 0.60 0.18 -0.16 1.49 -1.00 0.00 0.00 179.01 180.11 1h2o h GLU 131 N 0.28 0.00 0.01 2.33 4.81 -1.98 0.16 114.58 120.20 1h2o h GLU 131 Ca 0.67 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.90 1h2o h GLU 131 Cb 1.88 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.26 1h2o h GLU 131 CO -0.34 0.16 -0.01 1.25 -0.73 0.00 0.00 179.01 179.35 1h2o h HIS 132 N 0.00 -0.02 -0.48 0.92 2.76 0.75 -1.60 115.15 117.48 1h2o h HIS 132 Ca -0.00 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.13 1h2o h HIS 132 Cb 0.29 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.24 1h2o h HIS 132 CO 0.00 0.78 0.14 0.28 -1.30 0.00 0.00 177.93 177.83 1h2o h VAL 133 N -0.93 1.23 -0.23 5.26 2.07 -1.32 -0.96 116.25 121.38 1h2o h VAL 133 Ca -0.00 -0.79 -0.05 0.00 0.82 0.00 0.00 66.70 66.68 1h2o h VAL 133 Cb 0.80 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1h2o h VAL 133 CO 0.00 0.29 -0.04 0.50 0.02 0.00 0.00 177.57 178.34 1h2o h LYS 134 N 0.65 0.43 -0.01 1.57 1.63 -0.81 -2.69 116.57 117.35 1h2o h LYS 134 Ca 0.15 -0.16 -0.02 0.00 -0.85 0.00 0.00 60.65 59.77 1h2o h LYS 134 Cb 0.30 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 31.90 1h2o h LYS 134 CO -0.00 0.66 -0.11 0.00 -3.45 0.00 0.00 179.45 176.54 1h2o h ALA 135 N 0.77 1.81 0.00 5.00 0.00 -1.19 -1.33 119.26 124.32 1h2o h ALA 135 Ca 0.06 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1h2o h ALA 135 Cb 0.49 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1h2o h ALA 135 CO 0.02 0.15 -0.50 0.78 0.00 0.00 0.00 179.25 179.70 1h2o h GLY 136 N 0.35 0.00 1.65 0.00 0.00 -0.90 -2.23 103.07 101.93 1h2o h GLY 136 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 1h2o h GLY 136 CO 0.01 0.00 -0.25 0.50 0.00 0.00 0.00 176.54 176.81 1h2o h LYS 137 N 0.00 0.41 0.00 4.80 1.57 -0.92 -2.41 116.57 120.02 1h2o h LYS 137 Ca -0.00 -0.15 -0.22 0.00 -1.87 0.00 0.00 60.65 58.40 1h2o h LYS 137 Cb 0.91 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.16 1h2o h LYS 137 CO 0.06 0.63 -1.11 1.49 -0.57 0.00 0.00 179.45 179.96 1h2o h GLU 138 N 0.37 0.00 -0.47 3.15 4.81 -1.44 -2.60 114.58 118.40 1h2o h GLU 138 Ca 0.06 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.19 1h2o h GLU 138 Cb 0.63 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 1h2o h GLU 138 CO 0.05 0.91 -0.10 0.87 -0.73 0.00 0.00 179.01 180.00 1h2o h LYS 139 N 0.00 0.89 0.01 1.92 1.57 -1.18 -2.08 116.57 117.71 1h2o h LYS 139 Ca -0.06 -0.33 -0.25 0.00 -1.87 0.00 0.00 60.65 58.14 1h2o h LYS 139 Cb 1.81 -0.05 0.02 0.00 0.08 0.00 0.00 32.23 34.08 1h2o h LYS 139 CO 0.12 0.98 -0.97 0.00 -0.57 0.00 0.00 179.45 179.01 1h2o h ALA 140 N 0.88 0.10 -0.31 3.86 0.00 -1.53 -3.16 119.26 119.10 1h2o h ALA 140 Ca 0.12 -0.68 0.04 0.00 0.00 0.00 0.00 54.91 54.39 1h2o h ALA 140 Cb 0.64 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 1h2o h ALA 140 CO 0.04 0.61 0.09 0.77 0.00 0.00 0.00 179.25 180.76 1h2o h SER 141 N 0.26 0.08 -0.83 0.00 0.02 -1.44 -1.77 113.55 109.88 1h2o h SER 141 Ca -0.13 0.04 0.09 0.00 -0.84 0.00 0.00 61.79 60.95 1h2o h SER 141 Cb 1.64 0.04 -0.07 0.00 0.14 0.00 0.00 62.40 64.15 1h2o h SER 141 CO 0.19 0.08 0.48 0.78 -1.14 0.00 0.00 176.83 177.22 1h2o h ASN 142 N 0.21 0.70 -0.84 3.07 2.35 -1.44 -1.11 115.58 118.51 1h2o h ASN 142 Ca 0.14 0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.92 1h2o h ASN 142 Cb 0.13 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.36 1h2o h ASN 142 CO -0.16 0.41 0.47 -0.07 -1.65 0.00 0.00 177.43 176.42 1h2o h LEU 143 N 0.82 1.05 -1.19 1.61 3.38 -1.32 -2.05 115.31 117.61 1h2o h LEU 143 Ca 0.39 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 1h2o h LEU 143 Cb 0.33 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 1h2o h LEU 143 CO -0.23 0.84 0.47 -0.26 0.09 0.00 0.00 178.44 179.35 1h2o h PHE 144 N 1.17 0.98 0.00 1.13 0.04 -0.42 -0.28 116.94 119.57 1h2o h PHE 144 Ca 0.30 0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.07 1h2o h PHE 144 Cb 0.02 -0.33 0.00 0.00 2.20 0.00 0.00 35.95 37.85 1h2o h PHE 144 CO 0.01 0.64 0.00 0.87 -0.60 0.00 0.00 178.31 179.23 1h2o h LYS 145 N 1.04 0.00 0.12 1.51 1.57 -0.78 -1.75 116.57 118.28 1h2o h LYS 145 Ca 0.27 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.75 1h2o h LYS 145 Cb -0.06 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1h2o h LYS 145 CO -0.05 0.00 -1.53 -0.07 -0.57 0.00 0.00 179.45 177.23 1h2o h LEU 146 N 0.00 0.40 -0.17 2.94 3.38 -0.61 -3.08 115.31 118.17 1h2o h LEU 146 Ca 0.00 -0.55 -0.15 0.00 0.09 0.00 0.00 57.88 57.26 1h2o h LEU 146 Cb 0.51 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1h2o h LEU 146 CO 0.00 1.46 -0.49 0.40 0.09 0.00 0.00 178.44 179.90 1h2o h ILE 147 N 0.07 1.33 -0.95 1.22 2.04 -1.15 -2.04 117.51 118.03 1h2o h ILE 147 Ca -0.24 -1.74 0.09 0.00 1.00 0.00 0.00 64.86 63.97 1h2o h ILE 147 Cb 2.02 1.95 -0.07 0.00 -0.74 0.00 0.00 36.82 39.98 1h2o h ILE 147 CO 0.17 0.54 0.61 -0.33 0.00 0.00 0.00 178.15 179.14 1h2o h GLU 148 N 0.32 0.98 0.00 2.37 5.08 -1.43 0.15 114.58 122.04 1h2o h GLU 148 Ca -0.01 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 1h2o h GLU 148 Cb 1.11 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1h2o h GLU 148 CO 0.11 0.65 -0.31 1.15 -1.00 0.00 0.00 179.01 179.61 1h2o h THR 149 N 1.01 0.67 -0.05 1.13 2.02 -1.43 -1.44 112.91 114.82 1h2o h THR 149 Ca 0.44 -1.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.16 1h2o h THR 149 Cb 0.34 1.96 -0.00 0.00 -1.74 0.00 0.00 68.15 68.71 1h2o h THR 149 CO -0.19 0.30 0.01 0.22 0.37 0.00 0.00 175.52 176.23 1h2o h TYR 150 N 0.00 0.08 0.00 3.16 3.20 0.04 -0.21 116.97 123.25 1h2o h TYR 150 Ca -0.00 -0.01 -0.20 0.00 3.14 0.00 0.00 58.73 61.66 1h2o h TYR 150 Cb 0.94 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.16 1h2o h TYR 150 CO 0.00 0.29 -0.93 -0.07 -1.64 0.00 0.00 178.16 175.81 1h2o h LEU 151 N -0.14 0.00 -1.12 2.82 3.38 -1.46 0.64 115.31 119.43 1h2o h LEU 151 Ca 0.02 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 1h2o h LEU 151 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1h2o h LEU 151 CO 0.00 0.93 -0.36 0.50 0.09 0.00 0.00 178.44 179.60 1h2o h LYS 152 N 0.00 0.00 0.00 1.13 3.64 -1.19 -3.25 116.57 116.90 1h2o h LYS 152 Ca -0.01 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.07 1h2o h LYS 152 Cb 1.71 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.48 1h2o h LYS 152 CO 0.12 0.36 -2.13 0.41 -2.27 0.00 0.00 179.45 175.94 1h2o n GLY 153 N -0.04 -0.63 3.20 5.01 0.00 -0.10 -4.78 105.19 107.85 1h2o n GLY 153 Ca -0.01 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.40 3.53 -2.00 1.61 3.76 0.22 -4.89 115.29 115.12 1h2o s HIS 154 Ca -0.15 -2.30 0.08 0.00 -0.15 0.00 0.00 55.06 52.55 1h2o s HIS 154 Cb 0.06 -3.47 0.50 0.00 1.11 0.00 0.00 32.58 30.77 1h2o s HIS 154 CO 0.60 -0.92 1.08 -0.35 -0.85 0.00 0.00 174.74 174.30 1h2o n PRO 155 N 3.94 0.71 0.00 8.40 -0.04 -1.25 -2.53 135.00 144.23 1h2o n PRO 155 Ca 0.06 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.60 1h2o n PRO 155 Cb 0.41 -1.18 -0.01 0.00 -0.04 0.00 0.00 33.50 32.69 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 -0.68 1.48 -4.56 3.54 8.00 -1.26 -4.47 116.55 118.60 1h2o n ASP 156 Ca 0.06 -1.24 -0.41 0.00 0.71 0.00 0.00 54.79 53.92 1h2o n ASP 156 Cb 0.03 0.49 -0.03 0.00 -0.02 0.00 0.00 41.12 41.59 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 -1.79 2.61 -0.31 2.24 0.00 -1.05 -4.04 121.76 119.43 1h2o s ALA 157 Ca 0.12 -0.82 -0.04 0.00 0.00 0.00 0.00 51.96 51.22 1h2o s ALA 157 Cb 0.12 -4.20 0.04 0.00 0.00 0.00 0.00 23.12 19.08 1h2o s ALA 157 CO 0.38 -3.29 0.10 2.48 0.00 0.00 0.00 175.76 175.42 1h2o n TYR 158 N 10.45 -1.35 -0.35 0.00 4.11 -1.26 -4.98 117.16 123.77 1h2o n TYR 158 Ca 0.12 0.11 0.00 0.00 -0.00 0.00 0.00 57.90 58.14 1h2o n TYR 158 Cb 0.50 -0.88 0.00 0.00 -0.00 0.00 0.00 39.34 38.96 1h2o n TYR 158 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.86 175.15