#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hou s ASN 3 N 0.00 -0.17 0.85 4.04 0.01 -1.26 -4.91 114.94 113.49 3hou s ASN 3 Ca 0.00 -0.25 -0.11 0.00 -0.71 0.00 0.00 52.86 51.79 3hou s ASN 3 Cb 0.00 0.42 0.10 0.00 0.41 0.00 0.00 41.25 42.17 3hou s ASN 3 CO 0.00 -0.73 1.09 -0.89 -1.51 0.00 0.00 177.10 175.06 3hou s THR 4 N -3.16 2.90 0.00 1.60 2.01 -1.26 -3.69 115.64 114.03 3hou s THR 4 Ca -0.01 0.29 0.00 0.00 0.31 0.00 0.00 61.69 62.28 3hou s THR 4 Cb 0.01 -2.86 0.00 0.00 0.01 0.00 0.00 72.50 69.66 3hou s THR 4 CO -0.07 -0.38 0.09 0.18 -0.69 0.00 0.00 174.62 173.75 3hou n LEU 5 N -3.69 0.18 -3.62 4.42 4.77 -1.26 -4.74 117.00 113.06 3hou n LEU 5 Ca 0.07 -0.26 -0.08 0.00 -0.03 0.00 0.00 56.01 55.71 3hou n LEU 5 Cb 0.55 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.58 3hou n LEU 5 CO 0.55 0.04 0.83 0.12 -1.33 0.00 0.00 177.39 177.61 3hou s PHE 6 N -0.16 -0.36 -0.13 -1.77 5.36 -1.26 -4.12 117.98 115.53 3hou s PHE 6 Ca 0.00 0.81 -0.18 0.00 -0.96 0.00 0.00 56.93 56.60 3hou s PHE 6 Cb 0.00 0.41 0.04 0.00 -0.34 0.00 0.00 43.02 43.14 3hou s PHE 6 CO 0.00 -0.22 0.46 0.34 -1.46 0.00 0.00 175.22 174.34 3hou s ASP 7 N -0.24 -0.45 0.00 6.13 -1.08 -1.26 -2.85 116.67 116.92 3hou s ASP 7 Ca 0.03 0.76 0.00 0.00 -0.52 0.00 0.00 52.55 52.82 3hou s ASP 7 Cb -0.04 0.80 0.00 0.00 -1.46 0.00 0.00 42.92 42.22 3hou s ASP 7 CO -0.05 -0.26 0.00 -0.67 0.52 0.00 0.00 175.17 174.70 3hou n ASP 8 N 2.33 0.00 -4.42 -0.34 4.64 -1.11 -5.02 116.55 112.63 3hou n ASP 8 Ca -0.15 0.00 -0.33 0.00 -1.38 0.00 0.00 54.79 52.92 3hou n ASP 8 Cb 0.57 0.00 -0.14 0.00 -1.04 0.00 0.00 41.12 40.51 3hou n ASP 8 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 3hou s ILE 9 N -2.00 3.19 0.47 5.18 1.01 -1.26 -0.58 121.20 127.22 3hou s ILE 9 Ca 0.00 -0.63 0.04 0.00 0.00 0.00 0.00 60.65 60.06 3hou s ILE 9 Cb 0.00 -2.33 -0.04 0.00 0.01 0.00 0.00 42.46 40.11 3hou s ILE 9 CO 0.00 0.54 0.05 -0.36 0.00 0.00 0.00 174.94 175.17 3hou s PHE 10 N 0.03 2.13 -0.11 3.97 0.40 -0.33 -1.76 117.98 122.31 3hou s PHE 10 Ca -0.04 -0.82 -0.01 0.00 -0.60 0.00 0.00 56.93 55.46 3hou s PHE 10 Cb -0.14 -1.72 0.03 0.00 0.51 0.00 0.00 43.02 41.70 3hou s PHE 10 CO 0.04 0.25 -0.03 -1.14 0.70 0.00 0.00 175.22 175.04 3hou s GLN 11 N -3.85 1.05 -0.74 0.44 0.74 -0.38 -1.93 119.66 115.00 3hou s GLN 11 Ca 0.21 -0.15 -0.28 0.00 0.05 0.00 0.00 55.36 55.19 3hou s GLN 11 Cb 0.04 -1.42 -0.14 0.00 1.10 0.00 0.00 33.01 32.59 3hou s GLN 11 CO 0.11 -0.33 2.54 0.28 -0.55 0.00 0.00 175.29 177.34 3hou n VAL 12 N 5.03 -0.05 0.31 1.34 0.31 -1.08 -2.78 118.33 121.40 3hou n VAL 12 Ca -0.10 -0.43 -0.17 0.00 -0.01 0.00 0.00 64.34 63.63 3hou n VAL 12 Cb 0.49 -1.70 -0.08 0.00 -0.91 0.00 0.00 33.84 31.64 3hou n VAL 12 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 3hou h SER 13 N 15.94 -0.93 -4.92 4.52 0.87 0.23 0.19 113.55 129.44 3hou h SER 13 Ca -0.14 0.06 -0.04 0.00 -1.23 0.00 0.00 61.79 60.44 3hou h SER 13 Cb 1.28 0.28 -0.18 0.00 -0.44 0.00 0.00 62.40 63.35 3hou h SER 13 CO 1.27 -0.55 0.23 -0.70 -0.53 0.00 0.00 176.83 176.55 3hou s GLU 14 N -6.01 1.06 -0.12 2.24 2.12 -1.10 -4.57 118.70 112.32 3hou s GLU 14 Ca -0.17 0.09 -0.01 0.00 0.36 0.00 0.00 54.97 55.24 3hou s GLU 14 Cb 0.05 0.50 -0.02 0.00 0.26 0.00 0.00 34.13 34.91 3hou s GLU 14 CO 0.62 -0.37 -0.08 0.08 -0.54 0.00 0.00 175.26 174.97 3hou s VAL 15 N -1.75 3.49 -0.07 3.70 1.01 -1.26 -2.48 120.40 123.05 3hou s VAL 15 Ca -0.07 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.40 3hou s VAL 15 Cb -0.00 -2.48 0.02 0.00 0.00 0.00 0.00 36.38 33.92 3hou s VAL 15 CO 0.04 0.53 -0.06 -0.62 0.00 0.00 0.00 175.10 174.99 3hou s ASP 16 N 0.04 1.46 -0.90 3.32 2.15 0.10 -4.94 116.67 117.90 3hou s ASP 16 Ca -0.02 -0.19 -0.01 0.00 0.43 0.00 0.00 52.55 52.76 3hou s ASP 16 Cb -0.14 -0.61 0.26 0.00 -0.30 0.00 0.00 42.92 42.13 3hou s ASP 16 CO 0.03 -0.07 0.99 -0.81 -0.17 0.00 0.00 175.17 175.14 3hou n PRO 17 N 4.33 3.17 -2.26 4.34 -0.04 -1.26 0.53 135.00 143.81 3hou n PRO 17 Ca -0.19 -4.55 -0.33 0.00 -0.04 0.00 0.00 63.50 58.38 3hou n PRO 17 Cb 0.51 -2.41 -0.04 0.00 -0.04 0.00 0.00 33.50 31.52 3hou n PRO 17 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3hou s GLY 18 N -1.13 0.69 -0.76 0.55 0.00 -1.26 -3.68 107.32 101.73 3hou s GLY 18 Ca 0.32 -2.23 -0.04 0.00 0.00 0.00 0.00 44.72 42.77 3hou s GLY 18 CO -0.03 3.22 0.54 0.54 0.00 0.00 0.00 173.10 177.36 3hou n ARG 19 N 8.51 -3.74 -3.52 2.90 5.12 -1.26 -5.01 116.66 119.66 3hou n ARG 19 Ca 0.43 0.46 -0.29 0.00 -1.93 0.00 0.00 57.85 56.52 3hou n ARG 19 Cb 0.47 -4.36 -0.12 0.00 -1.16 0.00 0.00 32.46 27.29 3hou n ARG 19 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3hou s TYR 20 N -3.08 1.09 0.64 -1.55 4.12 -1.24 -5.02 117.35 112.31 3hou s TYR 20 Ca 0.27 -1.90 0.23 0.00 0.02 0.00 0.00 57.07 55.68 3hou s TYR 20 Cb -0.12 -1.16 1.17 0.00 -1.52 0.00 0.00 41.96 40.33 3hou s TYR 20 CO 0.33 -0.81 1.65 -0.91 0.02 0.00 0.00 175.55 175.83 3hou h ASN 21 N 6.79 0.00 0.00 2.29 2.35 -1.95 -2.67 115.58 122.39 3hou h ASN 21 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3hou h ASN 21 Cb 0.95 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.32 3hou h ASN 21 CO 0.33 0.00 0.00 0.29 -1.65 0.00 0.00 177.43 176.40 3hou n LYS 22 N -3.02 -0.18 -3.94 0.81 5.02 -1.26 -4.96 118.16 110.62 3hou n LYS 22 Ca 0.03 -0.27 -0.14 0.00 -2.02 0.00 0.00 58.31 55.91 3hou n LYS 22 Cb 0.70 -0.76 -0.15 0.00 -0.02 0.00 0.00 35.03 34.80 3hou n LYS 22 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hou s VAL 23 N -0.05 0.12 0.07 -0.18 1.01 -1.01 -2.25 120.40 118.11 3hou s VAL 23 Ca 0.00 -0.03 0.07 0.00 0.00 0.00 0.00 61.98 62.02 3hou s VAL 23 Cb 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 36.38 36.21 3hou s VAL 23 CO 0.00 0.06 -0.18 0.00 0.00 0.00 0.00 175.10 174.98 3hou s ARG 25 N -1.49 4.13 0.11 0.00 3.52 0.19 -0.23 118.95 125.17 3hou s ARG 25 Ca 0.04 -0.21 0.08 0.00 -0.13 0.00 0.00 55.73 55.52 3hou s ARG 25 Cb -0.09 -3.49 -0.04 0.00 -1.56 0.00 0.00 34.95 29.77 3hou s ARG 25 CO 0.03 0.15 -0.13 -1.50 -0.81 0.00 0.00 175.30 173.03 3hou s ILE 26 N 0.78 3.14 -0.08 4.11 2.07 0.31 -0.73 121.20 130.79 3hou s ILE 26 Ca 0.09 -1.38 -0.04 0.00 -1.41 0.00 0.00 60.65 57.91 3hou s ILE 26 Cb -0.13 -2.46 0.04 0.00 0.13 0.00 0.00 42.46 40.05 3hou s ILE 26 CO 0.02 0.10 0.18 -1.61 -1.91 0.00 0.00 174.94 171.72 3hou s GLU 27 N -2.20 0.11 0.05 3.50 2.02 -1.04 0.77 118.70 121.92 3hou s GLU 27 Ca 0.20 0.49 -0.05 0.00 0.02 0.00 0.00 54.97 55.63 3hou s GLU 27 Cb -0.11 -0.17 -0.02 0.00 0.10 0.00 0.00 34.13 33.93 3hou s GLU 27 CO 0.12 -0.21 0.07 0.00 0.02 0.00 0.00 175.26 175.26 3hou s ALA 28 N 1.59 0.09 0.18 5.21 0.00 -0.83 0.95 121.76 128.95 3hou s ALA 28 Ca -0.05 -0.78 0.04 0.00 0.00 0.00 0.00 51.96 51.16 3hou s ALA 28 Cb -0.11 0.31 -0.03 0.00 0.00 0.00 0.00 23.12 23.28 3hou s ALA 28 CO -0.07 -0.38 0.27 0.00 0.00 0.00 0.00 175.76 175.58 3hou s ALA 29 N -3.31 3.85 0.16 0.00 0.00 -1.12 -2.15 121.76 119.18 3hou s ALA 29 Ca 0.01 -1.15 -0.30 0.00 0.00 0.00 0.00 51.96 50.52 3hou s ALA 29 Cb 0.03 -1.64 -0.07 0.00 0.00 0.00 0.00 23.12 21.44 3hou s ALA 29 CO -0.08 0.43 0.98 0.45 0.00 0.00 0.00 175.76 177.54 3hou s SER 30 N -3.45 7.51 -0.38 0.00 0.15 -0.93 -1.25 113.70 115.35 3hou s SER 30 Ca 0.34 1.88 -0.04 0.00 0.70 0.00 0.00 55.95 58.83 3hou s SER 30 Cb -0.10 -2.60 0.04 0.00 -1.71 0.00 0.00 66.02 61.65 3hou s SER 30 CO 0.27 -0.03 2.79 0.41 1.20 0.00 0.00 173.24 177.89 3hou n THR 31 N 2.37 3.21 0.00 6.45 -1.04 -0.72 -4.48 114.28 120.07 3hou n THR 31 Ca 0.01 -2.64 0.00 0.00 -2.04 0.00 0.00 64.05 59.38 3hou n THR 31 Cb 0.48 -1.62 0.00 0.00 -1.82 0.00 0.00 70.33 67.38 3hou n THR 31 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3hou n THR 32 N 1.03 0.00 -1.89 12.58 -1.04 -1.26 -4.95 114.28 118.75 3hou n THR 32 Ca 0.46 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 62.05 3hou n THR 32 Cb 0.60 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.08 3hou n THR 32 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3hou s GLN 33 N 1.61 4.20 -0.33 -2.82 1.11 -1.26 -4.84 119.66 117.32 3hou s GLN 33 Ca 0.00 2.41 0.01 0.00 0.01 0.00 0.00 55.36 57.80 3hou s GLN 33 Cb 0.00 -3.13 0.37 0.00 -1.01 0.00 0.00 33.01 29.24 3hou s GLN 33 CO 0.00 -0.63 1.73 -0.25 0.01 0.00 0.00 175.29 176.16 3hou n ASP 34 N 3.82 4.63 -0.01 5.90 8.00 -1.26 -3.11 116.55 134.52 3hou n ASP 34 Ca 0.14 -3.10 -0.01 0.00 0.71 0.00 0.00 54.79 52.53 3hou n ASP 34 Cb 0.38 -0.82 -0.01 0.00 -0.02 0.00 0.00 41.12 40.64 3hou n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hou n GLN 35 N -0.36 2.98 -2.00 -1.24 6.02 -1.26 -4.98 117.38 116.55 3hou n GLN 35 Ca 0.38 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 57.03 3hou n GLN 35 Cb 1.02 -1.05 -0.04 0.00 1.02 0.00 0.00 30.24 31.20 3hou n GLN 35 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hou s LYS 37 N 7.16 3.15 -0.18 0.00 1.02 -1.25 -2.18 119.74 127.47 3hou s LYS 37 Ca 0.71 -0.80 -0.15 0.00 0.02 0.00 0.00 55.97 55.75 3hou s LYS 37 Cb -0.11 -2.74 0.05 0.00 -0.52 0.00 0.00 37.83 34.50 3hou s LYS 37 CO 0.15 0.01 0.47 -1.17 -0.92 0.00 0.00 175.35 173.88 3hou s LEU 38 N -4.27 0.10 -0.05 3.17 2.96 -0.91 -2.79 118.68 116.89 3hou s LEU 38 Ca 0.44 0.96 0.01 0.00 -0.22 0.00 0.00 54.13 55.32 3hou s LEU 38 Cb -0.10 1.59 0.02 0.00 0.50 0.00 0.00 46.19 48.21 3hou s LEU 38 CO 0.33 -0.17 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.26 3hou s THR 39 N 0.54 0.48 -0.15 3.68 2.01 -0.58 -1.96 115.64 119.66 3hou s THR 39 Ca -0.02 -0.06 -0.12 0.00 0.31 0.00 0.00 61.69 61.79 3hou s THR 39 Cb -0.04 -0.54 0.04 0.00 0.01 0.00 0.00 72.50 71.97 3hou s THR 39 CO -0.03 0.23 0.38 -0.22 -0.69 0.00 0.00 174.62 174.29 3hou s LEU 40 N 1.11 0.37 0.00 4.42 2.96 0.23 -0.42 118.68 127.35 3hou s LEU 40 Ca -0.08 0.79 -0.19 0.00 -0.22 0.00 0.00 54.13 54.43 3hou s LEU 40 Cb -0.14 1.28 -0.06 0.00 0.50 0.00 0.00 46.19 47.78 3hou s LEU 40 CO -0.01 -0.15 0.54 -1.81 -1.32 0.00 0.00 176.35 173.60 3hou s ASP 41 N 0.58 6.94 0.00 3.68 1.01 -0.50 0.11 116.67 128.49 3hou s ASP 41 Ca -0.03 1.11 0.02 0.00 0.71 0.00 0.00 52.55 54.36 3hou s ASP 41 Cb -0.05 -2.33 -0.01 0.00 1.01 0.00 0.00 42.92 41.54 3hou s ASP 41 CO -0.04 0.18 -0.06 -0.63 0.21 0.00 0.00 175.17 174.83 3hou s ILE 42 N -0.49 0.47 -1.02 0.77 1.01 0.67 -4.78 121.20 117.83 3hou s ILE 42 Ca 0.29 -0.39 -0.23 0.00 0.00 0.00 0.00 60.65 60.31 3hou s ILE 42 Cb -0.18 -0.42 0.04 0.00 0.01 0.00 0.00 42.46 41.91 3hou s ILE 42 CO 0.16 0.04 1.51 0.21 0.00 0.00 0.00 174.94 176.86 3hou s ASN 43 N -0.39 6.38 0.00 3.58 3.84 -1.26 -1.55 114.94 125.54 3hou s ASN 43 Ca 0.00 -1.42 0.00 0.00 0.21 0.00 0.00 52.86 51.65 3hou s ASN 43 Cb -0.04 -2.57 0.00 0.00 -0.55 0.00 0.00 41.25 38.09 3hou s ASN 43 CO -0.00 -1.62 0.36 0.52 -2.79 0.00 0.00 177.10 173.57 3hou n VAL 44 N 6.97 0.06 -0.07 -5.21 0.31 -0.96 -2.29 118.33 117.14 3hou n VAL 44 Ca 0.34 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.57 3hou n VAL 44 Cb 0.50 -0.37 -0.07 0.00 -0.91 0.00 0.00 33.84 32.99 3hou n VAL 44 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3hou n GLU 45 N 0.22 0.63 -0.39 5.55 2.13 -1.25 -3.89 120.64 123.63 3hou n GLU 45 Ca 0.00 0.07 0.11 0.00 0.66 0.00 0.00 57.16 58.00 3hou n GLU 45 Cb 0.18 -1.31 0.31 0.00 0.27 0.00 0.00 31.44 30.89 3hou n GLU 45 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3hou n LEU 46 N -2.87 3.83 0.00 4.31 4.77 -0.97 -4.67 117.00 121.39 3hou n LEU 46 Ca -0.26 -1.92 0.00 0.00 -0.03 0.00 0.00 56.01 53.80 3hou n LEU 46 Cb 0.80 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 3hou n LEU 46 CO 0.17 0.88 0.00 0.33 -1.33 0.00 0.00 177.39 177.44 3hou n PHE 47 N 1.41 0.00 -1.80 -1.77 7.35 -1.04 -4.97 117.46 116.65 3hou n PHE 47 Ca 0.23 0.00 -0.36 0.00 -0.76 0.00 0.00 57.45 56.56 3hou n PHE 47 Cb 0.63 0.00 0.06 0.00 0.35 0.00 0.00 39.48 40.52 3hou n PHE 47 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 3hou s PRO 48 N 0.00 2.67 -0.23 -7.13 0.02 -1.25 -4.11 135.00 124.97 3hou s PRO 48 Ca 0.00 1.86 -0.04 0.00 0.02 0.00 0.00 61.00 62.84 3hou s PRO 48 Cb 0.00 -1.89 0.12 0.00 0.02 0.00 0.00 34.50 32.75 3hou s PRO 48 CO 0.00 -1.45 0.39 0.08 -0.33 0.00 0.00 177.00 175.68 3hou s VAL 49 N -1.65 -0.61 -0.03 3.83 1.01 -1.26 -5.04 120.40 116.64 3hou s VAL 49 Ca 0.78 0.02 -0.03 0.00 0.00 0.00 0.00 61.98 62.74 3hou s VAL 49 Cb -0.32 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 3hou s VAL 49 CO 0.38 -0.05 0.15 0.00 0.00 0.00 0.00 175.10 175.57 3hou s ALA 50 N 2.56 3.84 0.38 5.51 0.00 -1.26 -4.84 121.76 127.95 3hou s ALA 50 Ca 0.08 -0.76 -0.24 0.00 0.00 0.00 0.00 51.96 51.04 3hou s ALA 50 Cb -0.14 -1.82 -0.13 0.00 0.00 0.00 0.00 23.12 21.03 3hou s ALA 50 CO -0.15 0.70 0.76 0.00 0.00 0.00 0.00 175.76 177.07 3hou n ALA 51 N 1.26 -0.91 -1.47 0.00 0.00 -1.26 -4.20 120.51 113.92 3hou n ALA 51 Ca -0.14 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3hou n ALA 51 Cb 0.53 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 18.09 3hou n ALA 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3hou n GLN 52 N 0.52 0.00 -3.89 0.00 1.13 0.66 -4.97 117.38 110.83 3hou n GLN 52 Ca 0.11 0.49 -0.11 0.00 -1.94 0.00 0.00 57.00 55.55 3hou n GLN 52 Cb 0.37 -1.47 -0.10 0.00 0.11 0.00 0.00 30.24 29.15 3hou n GLN 52 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3hou s ASP 53 N -1.93 0.07 -0.65 1.08 1.01 -1.26 -4.86 116.67 110.12 3hou s ASP 53 Ca 0.00 -0.26 -0.18 0.00 0.71 0.00 0.00 52.55 52.82 3hou s ASP 53 Cb 0.00 0.19 0.12 0.00 1.01 0.00 0.00 42.92 44.23 3hou s ASP 53 CO 0.00 -0.35 0.76 -0.94 0.21 0.00 0.00 175.17 174.84 3hou s SER 54 N -1.39 6.29 -0.11 0.27 1.04 -1.26 -2.64 113.70 115.90 3hou s SER 54 Ca -0.15 -1.62 -0.03 0.00 0.48 0.00 0.00 55.95 54.63 3hou s SER 54 Cb -0.08 -2.30 -0.03 0.00 0.10 0.00 0.00 66.02 63.70 3hou s SER 54 CO 0.01 -1.06 0.01 -0.76 0.98 0.00 0.00 173.24 172.42 3hou s LEU 55 N 2.45 3.58 -0.39 2.42 1.43 -0.81 -4.71 118.68 122.66 3hou s LEU 55 Ca 0.14 0.10 -0.16 0.00 -1.03 0.00 0.00 54.13 53.19 3hou s LEU 55 Cb -0.21 -1.84 0.01 0.00 0.03 0.00 0.00 46.19 44.18 3hou s LEU 55 CO 0.03 0.32 0.36 -0.89 0.23 0.00 0.00 176.35 176.40 3hou s THR 56 N -0.53 5.18 0.21 5.49 2.01 -0.97 -1.19 115.64 125.83 3hou s THR 56 Ca 0.09 -0.29 -0.03 0.00 0.31 0.00 0.00 61.69 61.77 3hou s THR 56 Cb -0.12 -3.91 -0.05 0.00 0.01 0.00 0.00 72.50 68.43 3hou s THR 56 CO 0.02 -0.25 0.43 -0.69 -0.69 0.00 0.00 174.62 173.44 3hou s VAL 57 N 1.94 5.15 0.20 3.82 1.01 0.25 -2.70 120.40 130.08 3hou s VAL 57 Ca 0.10 -0.16 -0.03 0.00 0.00 0.00 0.00 61.98 61.88 3hou s VAL 57 Cb -0.17 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.51 3hou s VAL 57 CO 0.12 -0.16 0.32 0.41 0.00 0.00 0.00 175.10 175.79 3hou n THR 58 N -0.54 0.00 0.00 3.92 -1.04 -1.05 -2.76 114.28 112.81 3hou n THR 58 Ca -0.03 -0.86 0.00 0.00 -2.04 0.00 0.00 64.05 61.11 3hou n THR 58 Cb 0.53 0.59 0.00 0.00 -1.82 0.00 0.00 70.33 69.64 3hou n THR 58 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 3hou n ILE 59 N -0.32 0.00 -0.26 12.58 5.41 -1.13 -3.82 119.36 131.82 3hou n ILE 59 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.74 3hou n ILE 59 Cb 0.33 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.26 3hou n ILE 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hou n ALA 60 N -3.00 -0.86 -2.69 -1.39 0.00 -1.26 -4.29 120.51 107.02 3hou n ALA 60 Ca 0.00 0.08 -0.39 0.00 0.00 0.00 0.00 53.44 53.13 3hou n ALA 60 Cb 0.00 -0.66 0.01 0.00 0.00 0.00 0.00 19.45 18.80 3hou n ALA 60 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hou n SER 61 N -1.57 6.90 0.00 0.00 3.41 -1.24 -1.96 113.62 119.16 3hou n SER 61 Ca 0.00 -3.69 0.00 0.00 -0.26 0.00 0.00 58.87 54.92 3hou n SER 61 Cb 0.07 -1.07 0.00 0.00 -0.26 0.00 0.00 64.21 62.94 3hou n SER 61 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3hou n SER 62 N -0.08 0.00 -1.38 4.04 2.88 -1.26 -4.36 113.62 113.47 3hou n SER 62 Ca 0.44 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.98 3hou n SER 62 Cb 0.28 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.73 3hou n SER 62 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3hou n LEU 63 N 0.00 0.14 0.04 2.46 4.77 -1.26 -4.84 117.00 118.30 3hou n LEU 63 Ca 0.00 -2.07 0.00 0.00 -0.03 0.00 0.00 56.01 53.91 3hou n LEU 63 Cb 0.00 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3hou n LEU 63 CO 0.00 0.96 0.00 0.59 -1.33 0.00 0.00 177.39 177.61 3hou n ASN 64 N 0.20 0.44 -3.45 -1.43 3.02 -1.26 -1.07 115.26 111.71 3hou n ASN 64 Ca -0.08 0.11 -0.20 0.00 -0.03 0.00 0.00 54.58 54.38 3hou n ASN 64 Cb 0.95 -0.09 -0.08 0.00 -0.61 0.00 0.00 39.78 39.94 3hou n ASN 64 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3hou s THR 76 N -1.52 0.06 -3.71 3.41 -4.23 -1.26 -4.88 115.64 103.50 3hou s THR 76 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 3hou s THR 76 Cb 0.00 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.36 3hou s THR 76 CO 0.00 0.00 0.00 -1.14 -0.54 0.00 0.00 174.62 172.94 3hou n ARG 77 N -0.65 0.00 -1.65 3.99 0.63 -1.26 -5.10 116.66 112.62 3hou n ARG 77 Ca 0.06 0.00 -0.48 0.00 -0.92 0.00 0.00 57.85 56.51 3hou n ARG 77 Cb 0.63 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.49 3hou n ARG 77 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3hou n SER 78 N 0.00 2.71 -4.78 6.15 2.88 -1.26 -4.90 113.62 114.43 3hou n SER 78 Ca 0.00 1.08 -0.37 0.00 -1.33 0.00 0.00 58.87 58.26 3hou n SER 78 Cb 0.00 -1.35 -0.02 0.00 -0.75 0.00 0.00 64.21 62.09 3hou n SER 78 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 3hou s TRP 79 N 1.18 3.03 0.16 0.66 -0.00 -1.26 -5.06 118.94 117.66 3hou s TRP 79 Ca 0.82 1.58 0.11 0.00 -0.00 0.00 0.00 56.10 58.61 3hou s TRP 79 Cb -0.77 -3.27 -0.04 0.00 -0.00 0.00 0.00 33.47 29.39 3hou s TRP 79 CO 0.42 -1.14 -0.25 1.03 -0.00 0.00 0.00 176.95 177.01 3hou s ARG 80 N -2.65 1.49 0.00 5.86 0.52 -1.26 -5.15 118.95 117.76 3hou s ARG 80 Ca 0.62 -1.43 0.00 0.00 -0.52 0.00 0.00 55.73 54.40 3hou s ARG 80 Cb -0.26 -1.89 0.00 0.00 0.52 0.00 0.00 34.95 33.33 3hou s ARG 80 CO 0.31 0.43 0.00 -2.30 0.02 0.00 0.00 175.30 173.76 3hou n PRO 81 N 0.56 1.53 0.00 3.54 -0.02 -1.26 -5.00 135.00 134.36 3hou n PRO 81 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 3hou n PRO 81 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.03 3hou n PRO 81 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3hou n PRO 82 N 0.00 0.00 0.00 0.52 -0.04 -1.26 -4.58 135.00 129.64 3hou n PRO 82 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3hou n PRO 82 Cb 0.00 -0.21 0.00 0.00 -0.04 0.00 0.00 33.50 33.25 3hou n PRO 82 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3hou n GLN 83 N 0.00 0.00 0.00 0.54 7.27 -1.26 -4.53 117.38 119.40 3hou n GLN 83 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3hou n GLN 83 Cb 0.00 -2.53 0.00 0.00 2.41 0.00 0.00 30.24 30.12 3hou n GLN 83 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3hou n ALA 84 N 0.48 2.09 -0.40 1.69 0.00 -1.26 -3.88 120.51 119.22 3hou n ALA 84 Ca 0.00 0.00 0.36 0.00 0.00 0.00 0.00 53.44 53.80 3hou n ALA 84 Cb 0.00 -1.00 0.63 0.00 0.00 0.00 0.00 19.45 19.08 3hou n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hou n GLY 85 N 0.16 -0.79 2.55 0.00 0.00 -1.26 -0.99 105.19 104.86 3hou n GLY 85 Ca 0.00 0.76 -0.29 0.00 0.00 0.00 0.00 46.02 46.49 3hou n GLY 85 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hou s ASP 86 N -4.37 3.09 0.29 1.61 -1.08 -1.25 -5.10 116.67 109.86 3hou s ASP 86 Ca -0.08 -2.48 -0.07 0.00 -0.52 0.00 0.00 52.55 49.40 3hou s ASP 86 Cb 0.32 -0.66 -0.00 0.00 -1.46 0.00 0.00 42.92 41.12 3hou s ASP 86 CO 0.79 -0.27 0.46 -0.13 0.52 0.00 0.00 175.17 176.53 3hou s ARG 87 N 0.65 1.72 1.09 4.34 0.52 -0.16 -5.10 118.95 122.00 3hou s ARG 87 Ca 0.20 -1.53 -0.12 0.00 -0.52 0.00 0.00 55.73 53.76 3hou s ARG 87 Cb -0.20 0.45 0.24 0.00 0.52 0.00 0.00 34.95 35.95 3hou s ARG 87 CO -0.02 -0.71 1.03 0.43 0.02 0.00 0.00 175.30 176.06 3hou n SER 88 N -0.89 -1.04 -2.72 0.23 7.64 -1.26 -5.02 113.62 110.56 3hou n SER 88 Ca -0.00 0.05 -0.03 0.00 1.01 0.00 0.00 58.87 59.89 3hou n SER 88 Cb 0.62 -1.33 0.02 0.00 -1.01 0.00 0.00 64.21 62.51 3hou n SER 88 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 3hou s LEU 89 N -6.84 -0.62 0.00 -3.43 0.05 -1.23 -4.93 118.68 101.69 3hou s LEU 89 Ca 0.68 -0.69 0.00 0.00 0.05 0.00 0.00 54.13 54.16 3hou s LEU 89 Cb -0.24 0.81 0.00 0.00 -2.05 0.00 0.00 46.19 44.70 3hou s LEU 89 CO 0.63 -0.03 0.14 0.00 -0.55 0.00 0.00 176.35 176.54 3hou n ALA 90 N 2.81 1.58 0.44 1.48 0.00 -0.23 -3.60 120.51 122.99 3hou n ALA 90 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 3hou n ALA 90 Cb 0.62 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.07 3hou n ALA 90 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3hou n ASP 91 N -0.34 0.24 -0.86 0.00 5.75 -1.26 -4.50 116.55 115.58 3hou n ASP 91 Ca 0.00 -0.68 0.00 0.00 -0.01 0.00 0.00 54.79 54.10 3hou n ASP 91 Cb 0.01 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 39.98 3hou n ASP 91 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3hou n ASP 92 N 0.09 0.24 -1.42 -1.12 8.00 -1.24 -4.65 116.55 116.44 3hou n ASP 92 Ca 0.00 -0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.31 3hou n ASP 92 Cb 0.06 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 3hou n ASP 92 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3hou n TYR 93 N 0.82 0.00 -1.31 1.24 4.02 -1.26 -4.90 117.16 115.76 3hou n TYR 93 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.97 3hou n TYR 93 Cb 0.04 0.00 0.13 0.00 -0.02 0.00 0.00 39.34 39.49 3hou n TYR 93 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3hou n ASP 94 N -1.92 1.92 -3.15 7.72 8.00 -0.38 -4.96 116.55 123.80 3hou n ASP 94 Ca 0.00 -3.07 0.06 0.00 0.71 0.00 0.00 54.79 52.49 3hou n ASP 94 Cb 0.00 -0.42 -0.02 0.00 -0.02 0.00 0.00 41.12 40.66 3hou n ASP 94 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3hou s TYR 95 N -2.52 -0.05 -0.13 1.24 5.04 -1.17 -4.89 117.35 114.86 3hou s TYR 95 Ca 0.29 0.05 -0.00 0.00 -2.44 0.00 0.00 57.07 54.97 3hou s TYR 95 Cb 0.27 0.02 0.03 0.00 0.35 0.00 0.00 41.96 42.62 3hou s TYR 95 CO 0.00 -0.03 -0.10 0.08 -1.34 0.00 0.00 175.55 174.17 3hou s VAL 96 N 3.00 1.22 0.52 3.14 1.01 -1.26 -1.48 120.40 126.54 3hou s VAL 96 Ca -0.08 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.51 3hou s VAL 96 Cb -0.08 -1.21 0.02 0.00 0.00 0.00 0.00 36.38 35.11 3hou s VAL 96 CO -0.07 0.38 0.36 -0.04 0.00 0.00 0.00 175.10 175.72 3hou s MET 97 N 1.63 2.27 -0.09 2.72 -1.94 -0.32 -4.93 119.30 118.64 3hou s MET 97 Ca 0.05 -1.99 -0.06 0.00 -1.71 0.00 0.00 55.69 51.98 3hou s MET 97 Cb -0.13 -2.08 0.04 0.00 2.01 0.00 0.00 34.83 34.67 3hou s MET 97 CO -0.09 -0.52 0.22 -0.47 -0.01 0.00 0.00 175.02 174.14 3hou s TYR 98 N -2.74 -0.27 0.00 -0.03 5.04 -1.26 -1.25 117.35 116.84 3hou s TYR 98 Ca 0.34 0.66 0.00 0.00 -2.44 0.00 0.00 57.07 55.63 3hou s TYR 98 Cb -0.02 0.04 0.00 0.00 0.35 0.00 0.00 41.96 42.34 3hou s TYR 98 CO 0.21 -0.18 0.00 0.41 -1.34 0.00 0.00 175.55 174.65 3hou n GLY 99 N 3.73 2.98 3.18 8.97 0.00 -1.15 -4.41 105.19 118.49 3hou n GLY 99 Ca -0.21 -0.79 -0.16 0.00 0.00 0.00 0.00 46.02 44.86 3hou n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hou s THR 100 N -2.97 1.04 -0.18 2.61 2.01 0.92 -4.33 115.64 114.75 3hou s THR 100 Ca 0.00 -1.50 -0.17 0.00 0.31 0.00 0.00 61.69 60.34 3hou s THR 100 Cb 0.00 -1.23 -0.04 0.00 0.01 0.00 0.00 72.50 71.24 3hou s THR 100 CO 0.00 -0.40 0.43 0.00 -0.69 0.00 0.00 174.62 173.96 3hou s ALA 101 N -1.90 3.54 -0.18 7.40 0.00 -1.26 -0.10 121.76 129.27 3hou s ALA 101 Ca 0.02 -0.44 0.01 0.00 0.00 0.00 0.00 51.96 51.55 3hou s ALA 101 Cb -0.06 -2.66 -0.11 0.00 0.00 0.00 0.00 23.12 20.29 3hou s ALA 101 CO 0.01 -0.26 -0.16 2.48 0.00 0.00 0.00 175.76 177.84 3hou n TYR 102 N 4.35 0.00 -4.44 0.00 0.18 0.01 -4.81 117.16 112.45 3hou n TYR 102 Ca -0.08 0.00 -0.21 0.00 1.88 0.00 0.00 57.90 59.50 3hou n TYR 102 Cb 0.51 -0.67 -0.14 0.00 -0.38 0.00 0.00 39.34 38.66 3hou n TYR 102 CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 3hou s LYS 103 N -2.35 0.98 -0.75 -3.48 2.20 -1.24 -4.98 119.74 110.11 3hou s LYS 103 Ca -0.24 -0.65 0.04 0.00 -0.36 0.00 0.00 55.97 54.76 3hou s LYS 103 Cb 0.06 -0.97 0.18 0.00 -1.51 0.00 0.00 37.83 35.60 3hou s LYS 103 CO 0.40 0.25 0.57 1.19 -0.36 0.00 0.00 175.35 177.40 3hou n PHE 104 N 2.20 3.49 -2.35 4.03 3.01 -1.26 0.02 117.46 126.59 3hou n PHE 104 Ca -0.17 -4.27 -0.35 0.00 1.01 0.00 0.00 57.45 53.68 3hou n PHE 104 Cb 0.55 -0.74 -0.01 0.00 -0.01 0.00 0.00 39.48 39.27 3hou n PHE 104 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 3hou s GLU 105 N -1.51 3.55 -0.77 -1.08 2.12 0.12 -4.89 118.70 116.24 3hou s GLU 105 Ca 0.26 1.55 -0.03 0.00 0.36 0.00 0.00 54.97 57.11 3hou s GLU 105 Cb -0.04 -2.08 0.19 0.00 0.26 0.00 0.00 34.13 32.46 3hou s GLU 105 CO -0.16 -0.68 0.63 -1.21 -0.54 0.00 0.00 175.26 173.31 3hou s GLU 106 N -3.20 2.98 0.00 4.30 2.02 -1.26 -1.22 118.70 122.33 3hou s GLU 106 Ca 0.70 -2.90 -0.01 0.00 0.02 0.00 0.00 54.97 52.78 3hou s GLU 106 Cb -0.22 -3.89 -0.04 0.00 0.10 0.00 0.00 34.13 30.08 3hou s GLU 106 CO 0.25 -1.23 0.98 0.28 0.02 0.00 0.00 175.26 175.57 3hou n VAL 107 N 2.94 0.63 -0.54 2.63 0.31 0.35 -4.85 118.33 119.80 3hou n VAL 107 Ca 0.15 -0.27 0.07 0.00 -0.01 0.00 0.00 64.34 64.28 3hou n VAL 107 Cb 0.38 -1.45 -0.02 0.00 -0.91 0.00 0.00 33.84 31.84 3hou n VAL 107 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3hou n SER 108 N 2.55 -3.09 0.00 4.52 3.41 -1.25 -4.42 113.62 115.35 3hou n SER 108 Ca 0.07 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.89 3hou n SER 108 Cb 0.18 -1.94 0.00 0.00 -0.26 0.00 0.00 64.21 62.19 3hou n SER 108 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3hou n LYS 109 N -1.91 0.00 -1.13 4.33 4.81 -1.26 -1.31 118.16 121.69 3hou n LYS 109 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.42 3hou n LYS 109 Cb 0.56 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.58 3hou n LYS 109 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 3hou n ASP 110 N 10.16 -0.19 -4.31 3.14 5.75 -1.26 -5.06 116.55 124.79 3hou n ASP 110 Ca 0.00 -1.94 -0.40 0.00 -0.01 0.00 0.00 54.79 52.44 3hou n ASP 110 Cb 0.00 0.05 -0.11 0.00 -1.03 0.00 0.00 41.12 40.03 3hou n ASP 110 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3hou s LEU 111 N 0.00 4.85 0.10 -2.12 1.43 -0.43 -4.64 118.68 117.87 3hou s LEU 111 Ca 0.12 -1.25 0.02 0.00 -1.03 0.00 0.00 54.13 52.00 3hou s LEU 111 Cb 0.14 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 3hou s LEU 111 CO -0.06 -0.44 0.17 -0.51 0.23 0.00 0.00 176.35 175.73 3hou s ILE 112 N 1.47 4.92 -0.01 -0.59 1.10 -1.16 -0.49 121.20 126.44 3hou s ILE 112 Ca 0.02 -0.69 0.03 0.00 -0.51 0.00 0.00 60.65 59.49 3hou s ILE 112 Cb -0.21 -3.44 -0.00 0.00 0.15 0.00 0.00 42.46 38.96 3hou s ILE 112 CO 0.04 0.05 -0.08 0.00 -2.11 0.00 0.00 174.94 172.83 3hou s ALA 113 N -1.55 0.74 0.05 1.50 0.00 -0.36 -2.76 121.76 119.38 3hou s ALA 113 Ca 0.32 -0.34 0.09 0.00 0.00 0.00 0.00 51.96 52.02 3hou s ALA 113 Cb -0.12 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 3hou s ALA 113 CO 0.25 0.16 -0.23 0.14 0.00 0.00 0.00 175.76 176.08 3hou s VAL 114 N -0.07 2.44 -0.10 0.00 -7.23 -1.01 -0.70 120.40 113.72 3hou s VAL 114 Ca 0.01 -1.34 -0.00 0.00 -1.81 0.00 0.00 61.98 58.84 3hou s VAL 114 Cb -0.05 -2.00 -0.02 0.00 0.56 0.00 0.00 36.38 34.87 3hou s VAL 114 CO -0.00 0.32 -0.09 -0.31 -0.31 0.00 0.00 175.10 174.71 3hou s TYR 115 N -0.88 2.87 -0.00 2.82 1.51 0.10 -1.77 117.35 122.00 3hou s TYR 115 Ca 0.13 -0.29 0.05 0.00 -1.01 0.00 0.00 57.07 55.95 3hou s TYR 115 Cb -0.10 -1.79 -0.01 0.00 -0.11 0.00 0.00 41.96 39.94 3hou s TYR 115 CO 0.04 0.05 -0.15 0.71 -1.11 0.00 0.00 175.55 175.09 3hou s TYR 116 N -0.16 1.35 -0.09 2.71 1.51 -0.03 -0.81 117.35 121.83 3hou s TYR 116 Ca 0.01 -0.27 0.03 0.00 -1.01 0.00 0.00 57.07 55.83 3hou s TYR 116 Cb -0.13 -0.85 0.01 0.00 -0.11 0.00 0.00 41.96 40.87 3hou s TYR 116 CO 0.03 -0.01 -0.19 0.45 -1.11 0.00 0.00 175.55 174.73 3hou s SER 117 N -0.51 2.49 -0.82 2.29 0.15 0.85 -0.22 113.70 117.92 3hou s SER 117 Ca 0.05 -0.44 -0.00 0.00 0.70 0.00 0.00 55.95 56.26 3hou s SER 117 Cb -0.06 -1.14 0.20 0.00 -1.71 0.00 0.00 66.02 63.31 3hou s SER 117 CO -0.00 0.10 0.68 -0.36 1.20 0.00 0.00 173.24 174.86 3hou s PHE 118 N 0.51 3.77 -1.60 3.44 0.40 0.29 -0.05 117.98 124.74 3hou s PHE 118 Ca -0.17 -3.08 -0.12 0.00 -0.60 0.00 0.00 56.93 52.96 3hou s PHE 118 Cb -0.17 -3.11 0.10 0.00 0.51 0.00 0.00 43.02 40.35 3hou s PHE 118 CO 0.06 -0.70 0.64 0.41 0.70 0.00 0.00 175.22 176.33 3hou n GLY 119 N 2.34 -0.36 0.00 4.36 0.00 -1.26 -2.15 105.19 108.12 3hou n GLY 119 Ca 0.20 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.36 3hou n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hou n GLY 120 N -1.65 3.12 3.65 -0.02 0.00 -1.26 -5.05 105.19 103.97 3hou n GLY 120 Ca -0.07 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 3hou n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hou s LEU 121 N 0.00 4.20 0.65 0.99 1.43 -0.92 -4.99 118.68 120.04 3hou s LEU 121 Ca 0.00 2.05 0.03 0.00 -1.03 0.00 0.00 54.13 55.18 3hou s LEU 121 Cb 0.00 -3.53 0.10 0.00 0.03 0.00 0.00 46.19 42.79 3hou s LEU 121 CO 0.00 -1.01 0.90 -0.76 0.23 0.00 0.00 176.35 175.71 3hou s LEU 122 N 4.35 3.06 -0.24 1.79 1.43 -1.26 0.10 118.68 127.91 3hou s LEU 122 Ca 0.72 -0.52 -0.27 0.00 -1.03 0.00 0.00 54.13 53.03 3hou s LEU 122 Cb -0.30 -1.93 0.13 0.00 0.03 0.00 0.00 46.19 44.12 3hou s LEU 122 CO 0.28 -1.61 1.06 -0.32 0.23 0.00 0.00 176.35 176.00 3hou s MET 123 N -4.93 0.49 -0.01 1.70 -2.45 0.69 -1.41 119.30 113.37 3hou s MET 123 Ca 0.64 0.39 0.04 0.00 -1.25 0.00 0.00 55.69 55.50 3hou s MET 123 Cb -0.06 0.23 -0.01 0.00 1.25 0.00 0.00 34.83 36.25 3hou s MET 123 CO 0.42 -0.10 -0.12 0.50 1.05 0.00 0.00 175.02 176.77 3hou s ARG 124 N -0.27 0.96 0.22 4.11 3.52 0.44 -0.85 118.95 127.08 3hou s ARG 124 Ca 0.02 -0.43 0.06 0.00 -0.13 0.00 0.00 55.73 55.25 3hou s ARG 124 Cb -0.03 -0.93 -0.05 0.00 -1.56 0.00 0.00 34.95 32.38 3hou s ARG 124 CO -0.04 0.25 -0.08 -1.17 -0.81 0.00 0.00 175.30 173.45 3hou s LEU 125 N -0.29 2.46 0.20 -0.88 2.96 -0.73 -1.53 118.68 120.88 3hou s LEU 125 Ca 0.05 -1.10 -0.11 0.00 -0.22 0.00 0.00 54.13 52.75 3hou s LEU 125 Cb -0.05 -0.52 -0.01 0.00 0.50 0.00 0.00 46.19 46.12 3hou s LEU 125 CO -0.00 -0.32 0.37 -1.61 -1.32 0.00 0.00 176.35 173.47 3hou s GLU 126 N -3.73 1.34 0.00 1.98 2.02 -1.12 -2.41 118.70 116.78 3hou s GLU 126 Ca 0.24 -1.22 0.00 0.00 0.02 0.00 0.00 54.97 54.02 3hou s GLU 126 Cb 0.02 0.42 0.00 0.00 0.10 0.00 0.00 34.13 34.67 3hou s GLU 126 CO 0.07 -0.52 0.00 0.41 0.02 0.00 0.00 175.26 175.24 3hou n GLY 127 N -0.30 0.68 0.00 -1.39 0.00 -1.11 -3.87 105.19 99.20 3hou n GLY 127 Ca -0.04 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.22 3hou n GLY 127 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3hou n ASN 128 N 0.00 0.00 0.00 1.61 4.05 -1.26 -3.01 115.26 116.65 3hou n ASN 128 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 3hou n ASN 128 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 3hou n ASN 128 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3hou n TYR 129 N 0.00 0.00 -1.02 1.20 0.18 -1.26 -4.82 117.16 111.45 3hou n TYR 129 Ca 0.00 0.00 -0.18 0.00 1.88 0.00 0.00 57.90 59.60 3hou n TYR 129 Cb 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.97 3hou n TYR 129 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 3hou n ARG 130 N 0.00 1.91 0.16 -3.48 3.00 -1.26 -4.50 116.66 112.50 3hou n ARG 130 Ca 0.00 -1.64 0.04 0.00 -0.01 0.00 0.00 57.85 56.24 3hou n ARG 130 Cb 0.02 -1.72 0.47 0.00 0.00 0.00 0.00 32.46 31.23 3hou n ARG 130 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 3hou h ASN 131 N 1.87 0.15 0.00 0.55 2.35 -1.95 -2.42 115.58 116.12 3hou h ASN 131 Ca 0.29 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 56.01 3hou h ASN 131 Cb 0.90 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 39.19 3hou h ASN 131 CO 0.73 0.25 -0.31 0.18 -1.65 0.00 0.00 177.43 176.62 3hou n LEU 132 N -4.36 1.75 0.00 1.61 4.77 -1.26 -4.90 117.00 114.60 3hou n LEU 132 Ca -0.01 -2.66 0.00 0.00 -0.03 0.00 0.00 56.01 53.30 3hou n LEU 132 Cb 0.20 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 3hou n LEU 132 CO 0.36 0.72 0.00 0.59 -1.33 0.00 0.00 177.39 177.73 3hou n ASN 133 N -0.86 0.00 -3.99 -1.43 3.02 -0.95 -4.91 115.26 106.14 3hou n ASN 133 Ca 0.12 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.39 3hou n ASN 133 Cb 0.71 -0.02 -0.11 0.00 -0.61 0.00 0.00 39.78 39.75 3hou n ASN 133 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3hou n ASN 134 N -1.54 0.90 -4.69 6.41 3.02 -0.97 -4.89 115.26 113.49 3hou n ASN 134 Ca 0.00 -2.34 -0.35 0.00 -0.03 0.00 0.00 54.58 51.85 3hou n ASN 134 Cb 0.00 -0.98 0.10 0.00 -0.61 0.00 0.00 39.78 38.28 3hou n ASN 134 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3hou n LEU 135 N 13.05 4.96 0.00 3.41 4.77 -1.26 -4.88 117.00 137.05 3hou n LEU 135 Ca 0.40 0.71 0.15 0.00 -0.03 0.00 0.00 56.01 57.23 3hou n LEU 135 Cb 0.43 -1.51 0.88 0.00 -2.33 0.00 0.00 43.42 40.89 3hou n LEU 135 CO 0.87 -1.46 1.06 0.29 -1.33 0.00 0.00 177.39 176.83 3hou n LYS 136 N -2.44 0.98 -0.91 3.23 4.01 -1.26 -4.90 118.16 116.86 3hou n LYS 136 Ca 0.15 0.00 -0.32 0.00 -0.51 0.00 0.00 58.31 57.62 3hou n LYS 136 Cb 0.49 -1.47 0.14 0.00 -0.51 0.00 0.00 35.03 33.68 3hou n LYS 136 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3hou n GLN 137 N -0.97 -0.11 -0.25 1.97 10.64 -1.26 -4.66 117.38 122.74 3hou n GLN 137 Ca 0.22 0.05 -0.06 0.00 -1.83 0.00 0.00 57.00 55.38 3hou n GLN 137 Cb 0.10 -2.38 0.08 0.00 -0.86 0.00 0.00 30.24 27.18 3hou n GLN 137 CO 0.00 0.00 0.00 1.49 -1.83 0.00 0.00 177.06 176.72 3hou h GLU 138 N -1.34 1.11 -6.31 2.61 4.22 -1.90 -3.35 114.58 109.62 3hou h GLU 138 Ca -0.45 -0.23 -0.52 0.00 0.08 0.00 0.00 59.36 58.24 3hou h GLU 138 Cb 1.29 -0.17 0.24 0.00 0.50 0.00 0.00 28.75 30.61 3hou h GLU 138 CO 0.43 0.94 -1.56 0.09 -2.18 0.00 0.00 179.01 176.73 3hou n ASN 139 N -4.26 -3.92 0.00 1.04 3.02 -1.26 -3.96 115.26 105.92 3hou n ASN 139 Ca 0.06 0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.76 3hou n ASN 139 Cb 0.22 -0.86 0.00 0.00 -0.61 0.00 0.00 39.78 38.53 3hou n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hou n ALA 140 N -3.24 0.00 -2.72 5.41 0.00 -1.26 -4.64 120.51 114.06 3hou n ALA 140 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.08 3hou n ALA 140 Cb 0.60 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.98 3hou n ALA 140 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3hou s TYR 141 N 0.00 3.50 -0.05 0.00 1.51 -0.83 -2.93 117.35 118.54 3hou s TYR 141 Ca 0.00 0.63 -0.06 0.00 -1.01 0.00 0.00 57.07 56.63 3hou s TYR 141 Cb 0.00 -2.31 -0.04 0.00 -0.11 0.00 0.00 41.96 39.50 3hou s TYR 141 CO 0.00 0.31 0.19 -1.17 -1.11 0.00 0.00 175.55 173.77 3hou s LEU 142 N 0.22 4.38 0.04 -1.29 2.96 -0.38 -4.02 118.68 120.59 3hou s LEU 142 Ca 0.17 0.46 0.02 0.00 -0.22 0.00 0.00 54.13 54.56 3hou s LEU 142 Cb -0.13 -2.40 -0.02 0.00 0.50 0.00 0.00 46.19 44.14 3hou s LEU 142 CO 0.05 0.32 -0.08 -0.76 -1.32 0.00 0.00 176.35 174.57 3hou s LEU 143 N -1.50 2.26 -0.12 -0.68 1.02 -1.25 -1.17 118.68 117.25 3hou s LEU 143 Ca 0.22 -0.56 -0.06 0.00 0.02 0.00 0.00 54.13 53.75 3hou s LEU 143 Cb -0.13 -0.15 0.05 0.00 0.02 0.00 0.00 46.19 45.98 3hou s LEU 143 CO 0.12 -0.22 0.28 -0.63 0.02 0.00 0.00 176.35 175.92 3hou s ILE 144 N -1.46 -0.09 0.12 -0.59 1.01 -0.55 -2.53 121.20 117.11 3hou s ILE 144 Ca -0.09 0.15 0.07 0.00 0.00 0.00 0.00 60.65 60.78 3hou s ILE 144 Cb -0.09 -0.43 -0.04 0.00 0.01 0.00 0.00 42.46 41.91 3hou s ILE 144 CO 0.00 0.06 -0.17 0.00 0.00 0.00 0.00 174.94 174.84 3hou s ARG 145 N 1.43 1.07 0.00 2.79 1.70 -1.10 -1.24 118.95 123.60 3hou s ARG 145 Ca -0.08 -1.22 0.00 0.00 -0.47 0.00 0.00 55.73 53.96 3hou s ARG 145 Cb -0.10 -1.10 0.00 0.00 -0.57 0.00 0.00 34.95 33.17 3hou s ARG 145 CO -0.09 0.23 0.00 -2.13 -1.08 0.00 0.00 175.30 172.23