#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k7a s ASN 3 N 0.00 0.82 0.04 4.04 0.01 -1.26 -5.10 114.94 113.49 3k7a s ASN 3 Ca 0.00 -1.52 0.05 0.00 -0.71 0.00 0.00 52.86 50.68 3k7a s ASN 3 Cb 0.00 0.49 -0.02 0.00 0.41 0.00 0.00 41.25 42.13 3k7a s ASN 3 CO 0.00 -1.00 -0.14 -0.89 -1.51 0.00 0.00 177.10 173.57 3k7a s THR 4 N -3.75 1.08 -0.03 1.60 2.01 -1.26 -3.87 115.64 111.42 3k7a s THR 4 Ca 0.38 -0.98 0.02 0.00 0.31 0.00 0.00 61.69 61.42 3k7a s THR 4 Cb 0.04 -0.98 -0.03 0.00 0.01 0.00 0.00 72.50 71.54 3k7a s THR 4 CO 0.19 -0.01 0.01 0.18 -0.69 0.00 0.00 174.62 174.30 3k7a n LEU 5 N 1.91 0.15 -3.65 4.42 4.77 -1.26 -4.78 117.00 118.55 3k7a n LEU 5 Ca -0.18 -0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.65 3k7a n LEU 5 Cb 0.55 0.06 -0.08 0.00 -2.33 0.00 0.00 43.42 41.62 3k7a n LEU 5 CO 0.23 0.09 0.24 0.12 -1.33 0.00 0.00 177.39 176.74 3k7a s PHE 6 N -2.07 -0.48 -0.20 -1.77 5.36 -1.26 -4.45 117.98 113.11 3k7a s PHE 6 Ca -0.02 0.92 -0.09 0.00 -0.96 0.00 0.00 56.93 56.78 3k7a s PHE 6 Cb 0.01 0.24 0.08 0.00 -0.34 0.00 0.00 43.02 43.01 3k7a s PHE 6 CO 0.11 -0.44 0.46 0.34 -1.46 0.00 0.00 175.22 174.24 3k7a s ASP 7 N -0.82 -0.51 -0.15 6.13 -1.08 -1.26 -2.76 116.67 116.22 3k7a s ASP 7 Ca -0.09 1.06 -0.30 0.00 -0.52 0.00 0.00 52.55 52.70 3k7a s ASP 7 Cb -0.03 1.18 0.13 0.00 -1.46 0.00 0.00 42.92 42.74 3k7a s ASP 7 CO 0.05 -0.22 1.03 -0.62 0.52 0.00 0.00 175.17 175.94 3k7a s ASP 8 N 2.00 -0.32 -0.16 -0.34 2.15 -0.96 -5.02 116.67 114.01 3k7a s ASP 8 Ca -0.06 0.27 -0.04 0.00 0.43 0.00 0.00 52.55 53.14 3k7a s ASP 8 Cb -0.10 0.28 -0.03 0.00 -0.30 0.00 0.00 42.92 42.77 3k7a s ASP 8 CO -0.14 -0.35 -0.02 -0.63 -0.17 0.00 0.00 175.17 173.86 3k7a s ILE 9 N -1.56 4.06 0.38 4.11 1.01 -1.26 -0.08 121.20 127.86 3k7a s ILE 9 Ca 0.01 -0.30 0.08 0.00 0.00 0.00 0.00 60.65 60.45 3k7a s ILE 9 Cb -0.01 -2.79 -0.04 0.00 0.01 0.00 0.00 42.46 39.63 3k7a s ILE 9 CO -0.02 0.49 0.20 -0.36 0.00 0.00 0.00 174.94 175.25 3k7a s PHE 10 N 0.36 2.66 -0.20 3.97 0.40 0.33 -1.45 117.98 124.05 3k7a s PHE 10 Ca -0.03 -0.49 0.01 0.00 -0.60 0.00 0.00 56.93 55.83 3k7a s PHE 10 Cb -0.14 -1.86 0.04 0.00 0.51 0.00 0.00 43.02 41.57 3k7a s PHE 10 CO 0.02 0.20 -0.11 -1.14 0.70 0.00 0.00 175.22 174.89 3k7a s GLN 11 N -3.92 2.14 -0.03 0.44 2.00 0.57 -2.28 119.66 118.58 3k7a s GLN 11 Ca 0.41 -0.90 -0.30 0.00 -2.00 0.00 0.00 55.36 52.57 3k7a s GLN 11 Cb 0.00 -2.49 -0.05 0.00 0.80 0.00 0.00 33.01 31.27 3k7a s GLN 11 CO 0.23 -0.42 1.51 0.08 -0.50 0.00 0.00 175.29 176.19 3k7a s VAL 12 N 1.35 3.65 -0.22 1.34 1.01 -0.71 -0.34 120.40 126.47 3k7a s VAL 12 Ca -0.02 0.93 0.04 0.00 0.00 0.00 0.00 61.98 62.94 3k7a s VAL 12 Cb -0.16 -3.60 -0.16 0.00 0.00 0.00 0.00 36.38 32.46 3k7a s VAL 12 CO -0.08 -0.04 -0.16 -1.54 0.00 0.00 0.00 175.10 173.28 3k7a n SER 13 N 6.18 1.98 -4.03 3.32 3.41 -1.16 -1.07 113.62 122.26 3k7a n SER 13 Ca 0.15 -0.10 -0.12 0.00 -0.26 0.00 0.00 58.87 58.54 3k7a n SER 13 Cb 0.43 -0.15 -0.11 0.00 -0.26 0.00 0.00 64.21 64.12 3k7a n SER 13 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3k7a s GLU 14 N -2.45 0.46 -0.17 4.33 2.12 -1.20 -4.71 118.70 117.08 3k7a s GLU 14 Ca -0.27 -0.69 -0.02 0.00 0.36 0.00 0.00 54.97 54.35 3k7a s GLU 14 Cb 0.07 -0.18 0.05 0.00 0.26 0.00 0.00 34.13 34.33 3k7a s GLU 14 CO 0.56 0.02 0.02 0.08 -0.54 0.00 0.00 175.26 175.40 3k7a s VAL 15 N -1.34 0.58 -0.28 3.70 1.01 -1.26 -2.82 120.40 119.99 3k7a s VAL 15 Ca -0.11 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.44 3k7a s VAL 15 Cb -0.10 -0.98 0.07 0.00 0.00 0.00 0.00 36.38 35.37 3k7a s VAL 15 CO -0.00 -0.08 -0.06 -0.62 0.00 0.00 0.00 175.10 174.35 3k7a s ASP 16 N 1.85 4.61 -1.21 3.32 2.15 -1.03 -4.97 116.67 121.39 3k7a s ASP 16 Ca 0.00 -1.50 -0.07 0.00 0.43 0.00 0.00 52.55 51.41 3k7a s ASP 16 Cb -0.16 -1.60 0.21 0.00 -0.30 0.00 0.00 42.92 41.07 3k7a s ASP 16 CO -0.07 -0.24 1.80 -0.81 -0.17 0.00 0.00 175.17 175.67 3k7a n PRO 17 N 4.45 4.03 -2.07 4.34 -0.04 -1.26 -1.85 135.00 142.59 3k7a n PRO 17 Ca -0.11 -3.87 -0.28 0.00 -0.04 0.00 0.00 63.50 59.20 3k7a n PRO 17 Cb 0.42 -2.76 -0.05 0.00 -0.04 0.00 0.00 33.50 31.07 3k7a n PRO 17 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3k7a s GLY 18 N -0.08 0.22 -1.46 0.55 0.00 -1.26 -3.52 107.32 101.76 3k7a s GLY 18 Ca 0.38 -1.72 -0.06 0.00 0.00 0.00 0.00 44.72 43.32 3k7a s GLY 18 CO 0.02 3.48 0.76 0.54 0.00 0.00 0.00 173.10 177.90 3k7a n ARG 19 N 8.69 -5.64 -4.47 2.90 5.12 -1.26 -5.01 116.66 116.99 3k7a n ARG 19 Ca 0.41 0.87 -0.23 0.00 -1.93 0.00 0.00 57.85 56.97 3k7a n ARG 19 Cb 0.47 -5.72 -0.16 0.00 -1.16 0.00 0.00 32.46 25.89 3k7a n ARG 19 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3k7a s TYR 20 N -3.21 1.20 -0.07 -1.55 1.51 -1.23 -5.04 117.35 108.96 3k7a s TYR 20 Ca 0.37 -0.38 0.14 0.00 -1.01 0.00 0.00 57.07 56.19 3k7a s TYR 20 Cb -0.16 -0.89 -0.20 0.00 -0.11 0.00 0.00 41.96 40.60 3k7a s TYR 20 CO 0.46 -0.20 0.70 0.09 -1.11 0.00 0.00 175.55 175.49 3k7a n ASN 21 N 3.66 0.85 -0.11 2.29 3.02 -1.26 -4.37 115.26 119.34 3k7a n ASN 21 Ca -0.22 0.39 0.02 0.00 -0.03 0.00 0.00 54.58 54.75 3k7a n ASN 21 Cb 0.52 0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.73 3k7a n ASN 21 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3k7a n LYS 22 N -2.99 2.27 -4.77 3.52 5.02 -1.26 -4.77 118.16 115.18 3k7a n LYS 22 Ca -0.15 -0.44 -0.25 0.00 -2.02 0.00 0.00 58.31 55.45 3k7a n LYS 22 Cb 0.99 -0.92 -0.15 0.00 -0.02 0.00 0.00 35.03 34.93 3k7a n LYS 22 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3k7a s VAL 23 N -0.84 1.46 -0.06 -0.18 1.01 -1.26 -1.21 120.40 119.32 3k7a s VAL 23 Ca 0.04 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.10 3k7a s VAL 23 Cb 0.04 -1.24 0.04 0.00 0.00 0.00 0.00 36.38 35.22 3k7a s VAL 23 CO 0.11 0.32 0.10 0.00 0.00 0.00 0.00 175.10 175.63 3k7a s ARG 25 N 2.12 3.59 -0.23 0.00 3.52 -0.77 -2.51 118.95 124.67 3k7a s ARG 25 Ca 0.03 1.33 -0.16 0.00 -0.13 0.00 0.00 55.73 56.79 3k7a s ARG 25 Cb -0.12 -4.07 -0.04 0.00 -1.56 0.00 0.00 34.95 29.17 3k7a s ARG 25 CO -0.04 -1.54 0.43 0.42 -0.81 0.00 0.00 175.30 173.76 3k7a s ILE 26 N 5.72 5.15 -0.54 4.11 1.01 0.57 -2.46 121.20 134.77 3k7a s ILE 26 Ca 0.70 0.75 -0.01 0.00 0.00 0.00 0.00 60.65 62.08 3k7a s ILE 26 Cb -0.20 -3.76 0.14 0.00 0.01 0.00 0.00 42.46 38.65 3k7a s ILE 26 CO 0.31 0.19 0.33 -0.70 0.00 0.00 0.00 174.94 175.07 3k7a s GLU 27 N 1.73 2.27 -0.14 2.79 2.12 -1.13 0.05 118.70 126.39 3k7a s GLU 27 Ca 0.19 -2.36 -0.03 0.00 0.36 0.00 0.00 54.97 53.13 3k7a s GLU 27 Cb -0.15 -3.59 -0.03 0.00 0.26 0.00 0.00 34.13 30.62 3k7a s GLU 27 CO 0.09 -1.13 -0.03 0.00 -0.54 0.00 0.00 175.26 173.65 3k7a s ALA 28 N 0.20 3.06 0.56 6.30 0.00 -0.43 -2.96 121.76 128.49 3k7a s ALA 28 Ca 0.15 -0.82 -0.12 0.00 0.00 0.00 0.00 51.96 51.17 3k7a s ALA 28 Cb -0.22 -1.54 -0.05 0.00 0.00 0.00 0.00 23.12 21.31 3k7a s ALA 28 CO -0.03 0.29 0.97 0.00 0.00 0.00 0.00 175.76 177.00 3k7a s ALA 29 N 0.09 3.14 -0.07 0.00 0.00 0.54 -1.71 121.76 123.74 3k7a s ALA 29 Ca -0.00 -0.06 -0.12 0.00 0.00 0.00 0.00 51.96 51.77 3k7a s ALA 29 Cb -0.13 -3.01 -0.05 0.00 0.00 0.00 0.00 23.12 19.92 3k7a s ALA 29 CO 0.03 -0.48 0.30 0.45 0.00 0.00 0.00 175.76 176.05 3k7a s SER 30 N -3.79 6.59 -0.03 0.00 0.15 -1.08 0.21 113.70 115.75 3k7a s SER 30 Ca 0.55 0.71 -0.26 0.00 0.70 0.00 0.00 55.95 57.64 3k7a s SER 30 Cb -0.11 -2.18 -0.03 0.00 -1.71 0.00 0.00 66.02 61.99 3k7a s SER 30 CO 0.45 0.30 0.82 -0.89 1.20 0.00 0.00 173.24 175.12 3k7a s THR 31 N -0.70 4.96 0.00 6.45 2.01 -0.53 -4.43 115.64 123.39 3k7a s THR 31 Ca 0.19 1.72 0.00 0.00 0.31 0.00 0.00 61.69 63.91 3k7a s THR 31 Cb -0.14 -4.16 0.00 0.00 0.01 0.00 0.00 72.50 68.20 3k7a s THR 31 CO 0.08 0.22 0.00 0.41 -0.69 0.00 0.00 174.62 174.64 3k7a n THR 32 N 3.79 0.00 -3.75 -0.82 -1.04 -1.26 -4.67 114.28 106.52 3k7a n THR 32 Ca 0.02 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.65 3k7a n THR 32 Cb 0.51 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.90 3k7a n THR 32 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3k7a s GLN 33 N 0.00 2.72 0.29 -2.82 -0.21 -1.26 -4.97 119.66 113.40 3k7a s GLN 33 Ca 0.00 -1.11 0.19 0.00 0.02 0.00 0.00 55.36 54.46 3k7a s GLN 33 Cb 0.00 -3.44 1.04 0.00 1.00 0.00 0.00 33.01 31.61 3k7a s GLN 33 CO 0.00 -0.62 1.58 -0.25 -2.12 0.00 0.00 175.29 173.88 3k7a n ASP 34 N 4.83 0.50 0.00 5.90 8.00 -1.26 -1.62 116.55 132.89 3k7a n ASP 34 Ca -0.13 0.73 -0.12 0.00 0.71 0.00 0.00 54.79 55.98 3k7a n ASP 34 Cb 0.45 -0.79 0.00 0.00 -0.02 0.00 0.00 41.12 40.76 3k7a n ASP 34 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 3k7a h GLN 35 N 0.00 0.61 -6.24 -1.24 4.20 -1.93 -3.45 115.11 107.05 3k7a h GLN 35 Ca 0.00 -0.45 -0.56 0.00 0.06 0.00 0.00 58.65 57.70 3k7a h GLN 35 Cb 0.01 0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.83 3k7a h GLN 35 CO 0.00 1.07 0.67 0.00 -0.67 0.00 0.00 178.83 179.90 3k7a s LYS 37 N 2.37 0.69 -0.02 0.00 1.02 -1.09 -2.63 119.74 120.08 3k7a s LYS 37 Ca 0.51 -1.01 0.01 0.00 0.02 0.00 0.00 55.97 55.50 3k7a s LYS 37 Cb -0.20 -0.33 0.01 0.00 -0.52 0.00 0.00 37.83 36.79 3k7a s LYS 37 CO 0.17 0.04 -0.04 -1.17 -0.92 0.00 0.00 175.35 173.43 3k7a s LEU 38 N -2.17 1.58 -0.07 3.17 2.96 -0.69 -2.36 118.68 121.09 3k7a s LEU 38 Ca -0.01 -0.09 0.06 0.00 -0.22 0.00 0.00 54.13 53.87 3k7a s LEU 38 Cb -0.04 -0.33 -0.01 0.00 0.50 0.00 0.00 46.19 46.31 3k7a s LEU 38 CO -0.01 -0.01 -0.25 -0.89 -1.32 0.00 0.00 176.35 173.87 3k7a s THR 39 N 0.50 2.06 -0.26 3.68 2.01 -0.67 -1.31 115.64 121.65 3k7a s THR 39 Ca -0.06 -1.06 -0.24 0.00 0.31 0.00 0.00 61.69 60.65 3k7a s THR 39 Cb -0.09 -1.75 0.07 0.00 0.01 0.00 0.00 72.50 70.73 3k7a s THR 39 CO -0.00 0.57 0.68 -0.22 -0.69 0.00 0.00 174.62 174.95 3k7a s LEU 40 N -0.05 -0.60 -0.04 4.42 2.96 0.11 -1.33 118.68 124.14 3k7a s LEU 40 Ca -0.07 1.37 -0.18 0.00 -0.22 0.00 0.00 54.13 55.03 3k7a s LEU 40 Cb -0.15 2.33 -0.05 0.00 0.50 0.00 0.00 46.19 48.82 3k7a s LEU 40 CO 0.05 -0.24 0.50 -1.81 -1.32 0.00 0.00 176.35 173.53 3k7a s ASP 41 N 0.37 6.83 -0.01 3.68 1.01 -0.33 0.21 116.67 128.43 3k7a s ASP 41 Ca -0.00 0.99 0.01 0.00 0.71 0.00 0.00 52.55 54.25 3k7a s ASP 41 Cb -0.05 -2.30 0.01 0.00 1.01 0.00 0.00 42.92 41.59 3k7a s ASP 41 CO 0.01 0.14 -0.01 -0.63 0.21 0.00 0.00 175.17 174.89 3k7a s ILE 42 N -0.21 0.17 -1.04 0.77 1.01 -1.05 -4.75 121.20 116.10 3k7a s ILE 42 Ca 0.27 -0.01 -0.24 0.00 0.00 0.00 0.00 60.65 60.67 3k7a s ILE 42 Cb -0.17 -0.21 -0.09 0.00 0.01 0.00 0.00 42.46 42.00 3k7a s ILE 42 CO 0.14 0.09 2.00 0.21 0.00 0.00 0.00 174.94 177.38 3k7a s ASN 43 N 0.45 4.79 0.62 3.58 3.84 -1.26 -1.99 114.94 124.97 3k7a s ASN 43 Ca -0.04 -1.11 0.34 0.00 0.21 0.00 0.00 52.86 52.26 3k7a s ASN 43 Cb -0.07 -2.58 1.95 0.00 -0.55 0.00 0.00 41.25 40.01 3k7a s ASN 43 CO -0.01 -3.23 2.23 0.58 -2.79 0.00 0.00 177.10 173.88 3k7a h VAL 44 N 6.73 0.32 0.00 -5.21 2.07 -1.30 0.07 116.25 118.93 3k7a h VAL 44 Ca 0.13 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.65 3k7a h VAL 44 Cb 0.97 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 3k7a h VAL 44 CO 1.18 0.00 -0.00 -0.08 0.02 0.00 0.00 177.57 178.69 3k7a h GLU 45 N 0.00 -0.00 0.00 1.57 4.81 -1.85 -3.03 114.58 116.07 3k7a h GLU 45 Ca 0.02 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.11 3k7a h GLU 45 Cb 0.16 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 3k7a h GLU 45 CO -0.00 0.25 -0.89 -0.07 -0.73 0.00 0.00 179.01 177.57 3k7a h LEU 46 N -0.26 0.00 -6.53 1.64 3.38 -1.59 -3.42 115.31 108.53 3k7a h LEU 46 Ca -0.00 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.55 3k7a h LEU 46 Cb 0.26 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 40.66 3k7a h LEU 46 CO 0.00 0.57 -0.71 0.12 0.09 0.00 0.00 178.44 178.51 3k7a s PHE 47 N -2.92 -0.07 0.34 1.13 5.36 -0.09 -5.04 117.98 116.69 3k7a s PHE 47 Ca 0.01 -0.74 -0.27 0.00 -0.96 0.00 0.00 56.93 54.98 3k7a s PHE 47 Cb 0.08 -0.61 -0.09 0.00 -0.34 0.00 0.00 43.02 42.06 3k7a s PHE 47 CO 0.78 -0.90 1.07 -2.14 -1.46 0.00 0.00 175.22 172.56 3k7a s PRO 48 N 1.83 4.40 0.06 10.12 0.02 -1.15 -4.05 135.00 146.23 3k7a s PRO 48 Ca 0.13 1.64 -0.03 0.00 0.02 0.00 0.00 61.00 62.76 3k7a s PRO 48 Cb -0.16 -2.85 -0.03 0.00 0.02 0.00 0.00 34.50 31.48 3k7a s PRO 48 CO -0.20 0.04 0.02 0.08 -0.33 0.00 0.00 177.00 176.61 3k7a s VAL 49 N -1.42 0.20 0.00 3.83 1.01 -1.26 -5.09 120.40 117.66 3k7a s VAL 49 Ca 0.51 -1.64 0.00 0.00 0.00 0.00 0.00 61.98 60.86 3k7a s VAL 49 Cb -0.26 -1.43 0.00 0.00 0.00 0.00 0.00 36.38 34.68 3k7a s VAL 49 CO 0.34 -0.90 0.00 0.00 0.00 0.00 0.00 175.10 174.53 3k7a n ALA 50 N 0.13 0.00 -2.27 5.51 0.00 -1.26 -5.07 120.51 117.55 3k7a n ALA 50 Ca -0.15 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.87 3k7a n ALA 50 Cb 0.61 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.04 3k7a n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k7a s ALA 51 N -1.91 3.54 -0.41 0.00 0.00 -1.26 -4.19 121.76 117.52 3k7a s ALA 51 Ca 0.00 0.51 -0.14 0.00 0.00 0.00 0.00 51.96 52.33 3k7a s ALA 51 Cb 0.00 -3.71 0.02 0.00 0.00 0.00 0.00 23.12 19.42 3k7a s ALA 51 CO 0.00 -1.46 0.52 1.04 0.00 0.00 0.00 175.76 175.86 3k7a n GLN 52 N 7.03 -2.52 -4.32 0.00 6.02 -0.23 -5.03 117.38 118.33 3k7a n GLN 52 Ca 0.16 2.20 -0.28 0.00 -0.01 0.00 0.00 57.00 59.06 3k7a n GLN 52 Cb 0.45 -5.55 -0.11 0.00 1.02 0.00 0.00 30.24 26.05 3k7a n GLN 52 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3k7a s ASP 53 N -2.45 3.95 -1.07 1.08 1.01 -1.25 -4.84 116.67 113.10 3k7a s ASP 53 Ca 0.22 -0.61 -0.10 0.00 0.71 0.00 0.00 52.55 52.76 3k7a s ASP 53 Cb -0.06 -0.57 0.26 0.00 1.01 0.00 0.00 42.92 43.56 3k7a s ASP 53 CO 0.77 0.14 1.07 -0.94 0.21 0.00 0.00 175.17 176.42 3k7a s SER 54 N -2.47 7.20 0.03 0.27 1.04 -1.26 -1.74 113.70 116.78 3k7a s SER 54 Ca 0.21 -3.39 -0.20 0.00 0.48 0.00 0.00 55.95 53.06 3k7a s SER 54 Cb -0.10 -2.22 -0.06 0.00 0.10 0.00 0.00 66.02 63.74 3k7a s SER 54 CO 0.12 -0.37 0.58 -0.76 0.98 0.00 0.00 173.24 173.78 3k7a s LEU 55 N -0.81 4.47 -0.23 2.42 1.43 -0.97 -4.88 118.68 120.12 3k7a s LEU 55 Ca 0.29 1.20 -0.15 0.00 -1.03 0.00 0.00 54.13 54.45 3k7a s LEU 55 Cb -0.10 -2.90 -0.04 0.00 0.03 0.00 0.00 46.19 43.18 3k7a s LEU 55 CO -0.08 0.19 0.36 -0.89 0.23 0.00 0.00 176.35 176.17 3k7a s THR 56 N -0.66 5.21 -0.04 5.49 2.01 -1.20 -0.52 115.64 125.93 3k7a s THR 56 Ca 0.30 0.60 0.04 0.00 0.31 0.00 0.00 61.69 62.93 3k7a s THR 56 Cb -0.19 -3.69 -0.03 0.00 0.01 0.00 0.00 72.50 68.60 3k7a s THR 56 CO 0.18 0.23 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.51 3k7a s VAL 57 N 1.56 3.12 -0.07 3.82 1.01 0.88 -2.62 120.40 128.12 3k7a s VAL 57 Ca 0.16 -0.73 -0.05 0.00 0.00 0.00 0.00 61.98 61.36 3k7a s VAL 57 Cb -0.15 -2.24 0.02 0.00 0.00 0.00 0.00 36.38 34.02 3k7a s VAL 57 CO 0.08 0.57 0.18 -0.89 0.00 0.00 0.00 175.10 175.04 3k7a s THR 58 N -0.76 -0.02 0.00 3.92 2.01 0.29 -2.27 115.64 118.82 3k7a s THR 58 Ca 0.12 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.17 3k7a s THR 58 Cb -0.11 -0.26 0.00 0.00 0.01 0.00 0.00 72.50 72.14 3k7a s THR 58 CO 0.01 0.02 0.00 -0.38 -0.69 0.00 0.00 174.62 173.58 3k7a n ILE 59 N 3.39 0.00 -3.35 1.82 5.41 -1.11 -0.27 119.36 125.26 3k7a n ILE 59 Ca -0.17 0.00 0.02 0.00 1.00 0.00 0.00 62.75 63.60 3k7a n ILE 59 Cb 0.57 0.00 -0.00 0.00 -0.71 0.00 0.00 39.64 39.49 3k7a n ILE 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3k7a n ALA 60 N -3.00 -0.31 -2.71 -1.39 0.00 -1.26 -4.24 120.51 107.60 3k7a n ALA 60 Ca 0.00 0.04 -0.08 0.00 0.00 0.00 0.00 53.44 53.40 3k7a n ALA 60 Cb 0.00 -0.11 0.11 0.00 0.00 0.00 0.00 19.45 19.45 3k7a n ALA 60 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3k7a n SER 61 N -0.74 -2.00 0.00 0.00 3.41 -1.25 -3.45 113.62 109.59 3k7a n SER 61 Ca 0.00 -2.91 0.00 0.00 -0.26 0.00 0.00 58.87 55.70 3k7a n SER 61 Cb 0.05 1.31 0.00 0.00 -0.26 0.00 0.00 64.21 65.32 3k7a n SER 61 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3k7a n SER 62 N -0.25 0.00 -3.85 4.04 3.41 -1.26 -4.66 113.62 111.05 3k7a n SER 62 Ca 0.01 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.23 3k7a n SER 62 Cb 0.80 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.67 3k7a n SER 62 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3k7a n LEU 63 N 0.00 2.89 0.00 1.04 4.77 -1.26 -5.00 117.00 119.44 3k7a n LEU 63 Ca 0.00 -2.56 0.00 0.00 -0.03 0.00 0.00 56.01 53.42 3k7a n LEU 63 Cb 0.00 -1.13 0.00 0.00 -2.33 0.00 0.00 43.42 39.96 3k7a n LEU 63 CO 0.00 -1.33 0.00 0.41 -1.33 0.00 0.00 177.39 175.14 3k7a n THR 76 N 6.85 0.00 -0.57 -5.08 -1.04 -1.26 -4.56 114.28 108.62 3k7a n THR 76 Ca 0.47 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.48 3k7a n THR 76 Cb 0.43 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.94 3k7a n THR 76 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3k7a n ARG 77 N -0.74 -1.53 -1.73 -2.82 1.74 -1.26 -4.92 116.66 105.39 3k7a n ARG 77 Ca 0.00 1.18 -0.40 0.00 -0.77 0.00 0.00 57.85 57.86 3k7a n ARG 77 Cb 0.00 -1.45 0.03 0.00 -1.02 0.00 0.00 32.46 30.02 3k7a n ARG 77 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3k7a n SER 78 N -1.75 2.80 -4.74 0.55 3.41 -1.26 -4.95 113.62 107.69 3k7a n SER 78 Ca 0.00 1.05 -0.41 0.00 -0.26 0.00 0.00 58.87 59.25 3k7a n SER 78 Cb 0.15 -1.56 -0.04 0.00 -0.26 0.00 0.00 64.21 62.49 3k7a n SER 78 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 3k7a s TRP 79 N -1.24 3.68 0.36 7.33 -0.00 -1.26 -5.06 118.94 122.75 3k7a s TRP 79 Ca 0.66 1.70 0.08 0.00 -0.00 0.00 0.00 56.10 58.54 3k7a s TRP 79 Cb -0.45 -3.20 -0.04 0.00 -0.00 0.00 0.00 33.47 29.78 3k7a s TRP 79 CO 0.54 -0.31 0.16 1.03 -0.00 0.00 0.00 176.95 178.37 3k7a s ARG 80 N -0.73 2.36 0.00 5.86 0.52 -1.26 -5.14 118.95 120.56 3k7a s ARG 80 Ca 0.46 -1.59 0.00 0.00 -0.52 0.00 0.00 55.73 54.08 3k7a s ARG 80 Cb -0.29 -2.16 0.00 0.00 0.52 0.00 0.00 34.95 33.03 3k7a s ARG 80 CO 0.35 0.06 0.00 -0.35 0.02 0.00 0.00 175.30 175.38 3k7a n PRO 81 N -1.19 0.00 0.00 3.54 -0.05 -1.26 -5.11 135.00 130.94 3k7a n PRO 81 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.43 3k7a n PRO 81 Cb 0.62 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 34.07 3k7a n PRO 81 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 175.50 175.10 3k7a n PRO 82 N 0.00 1.56 0.00 0.54 -0.04 -1.26 -4.41 135.00 131.39 3k7a n PRO 82 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3k7a n PRO 82 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 3k7a n PRO 82 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3k7a n GLN 83 N 0.00 0.00 0.00 0.54 6.02 -1.26 -4.05 117.38 118.63 3k7a n GLN 83 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.00 3k7a n GLN 83 Cb 0.00 0.00 0.06 0.00 1.02 0.00 0.00 30.24 31.32 3k7a n GLN 83 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3k7a n ALA 84 N 0.00 1.19 0.17 -1.58 0.00 -1.26 -2.23 120.51 116.80 3k7a n ALA 84 Ca 0.00 -0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.54 3k7a n ALA 84 Cb 0.00 -1.04 0.60 0.00 0.00 0.00 0.00 19.45 19.01 3k7a n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k7a n GLY 85 N -1.19 -0.87 0.33 0.00 0.00 -1.26 -0.67 105.19 101.54 3k7a n GLY 85 Ca 0.01 0.21 0.08 0.00 0.00 0.00 0.00 46.02 46.31 3k7a n GLY 85 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3k7a n ASP 86 N -2.28 1.88 0.00 1.61 -0.08 -0.95 -5.02 116.55 111.71 3k7a n ASP 86 Ca -0.01 -3.16 0.00 0.00 -1.51 0.00 0.00 54.79 50.10 3k7a n ASP 86 Cb 0.05 -0.43 0.00 0.00 2.34 0.00 0.00 41.12 43.08 3k7a n ASP 86 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3k7a n ARG 87 N -1.12 0.55 -1.80 -0.67 1.74 0.15 -5.11 116.66 110.41 3k7a n ARG 87 Ca 0.15 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.84 3k7a n ARG 87 Cb 0.68 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 32.16 3k7a n ARG 87 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3k7a s SER 88 N 1.00 5.36 -0.47 0.55 1.04 -1.26 -5.01 113.70 114.92 3k7a s SER 88 Ca 0.00 2.77 0.07 0.00 0.48 0.00 0.00 55.95 59.27 3k7a s SER 88 Cb 0.00 -2.64 0.18 0.00 0.10 0.00 0.00 66.02 63.67 3k7a s SER 88 CO 0.00 -1.51 0.67 -0.76 0.98 0.00 0.00 173.24 172.62 3k7a s LEU 89 N -3.43 -1.37 0.00 2.42 1.43 -1.26 -4.83 118.68 111.65 3k7a s LEU 89 Ca 0.70 -1.36 -0.02 0.00 -1.03 0.00 0.00 54.13 52.42 3k7a s LEU 89 Cb -0.40 1.83 -0.10 0.00 0.03 0.00 0.00 46.19 47.54 3k7a s LEU 89 CO 0.48 -0.11 2.47 0.00 0.23 0.00 0.00 176.35 179.42 3k7a n ALA 90 N 3.61 4.68 -0.40 4.21 0.00 -1.26 -4.27 120.51 127.07 3k7a n ALA 90 Ca 0.15 -0.71 0.04 0.00 0.00 0.00 0.00 53.44 52.92 3k7a n ALA 90 Cb 0.56 -1.61 0.29 0.00 0.00 0.00 0.00 19.45 18.69 3k7a n ALA 90 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3k7a n ASP 91 N 1.97 4.42 0.00 0.00 5.75 -1.26 -4.35 116.55 123.08 3k7a n ASP 91 Ca 0.17 -2.71 0.01 0.00 -0.01 0.00 0.00 54.79 52.24 3k7a n ASP 91 Cb 0.62 -0.65 0.05 0.00 -1.03 0.00 0.00 41.12 40.11 3k7a n ASP 91 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3k7a n ASP 92 N 0.38 0.00 -4.30 -1.12 8.00 -1.26 -4.67 116.55 113.59 3k7a n ASP 92 Ca 0.22 -0.39 -0.29 0.00 0.71 0.00 0.00 54.79 55.04 3k7a n ASP 92 Cb 0.97 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 42.01 3k7a n ASP 92 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3k7a n TYR 93 N -0.62 0.83 -0.02 1.24 4.02 -1.26 -4.87 117.16 116.49 3k7a n TYR 93 Ca 0.01 -2.38 -0.02 0.00 -0.01 0.00 0.00 57.90 55.50 3k7a n TYR 93 Cb 0.01 -0.23 -0.01 0.00 -0.02 0.00 0.00 39.34 39.09 3k7a n TYR 93 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3k7a n ASP 94 N -1.36 0.51 -4.71 7.72 8.00 0.15 -4.94 116.55 121.92 3k7a n ASP 94 Ca -0.16 0.08 -0.40 0.00 0.71 0.00 0.00 54.79 55.02 3k7a n ASP 94 Cb 0.60 -0.44 -0.04 0.00 -0.02 0.00 0.00 41.12 41.21 3k7a n ASP 94 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3k7a s TYR 95 N -1.49 3.56 -0.01 1.24 5.04 -0.68 -4.96 117.35 120.05 3k7a s TYR 95 Ca -0.06 1.29 -0.00 0.00 -2.44 0.00 0.00 57.07 55.86 3k7a s TYR 95 Cb 0.01 -2.87 0.01 0.00 0.35 0.00 0.00 41.96 39.46 3k7a s TYR 95 CO 0.09 0.02 0.02 0.08 -1.34 0.00 0.00 175.55 174.42 3k7a s VAL 96 N 1.06 -0.03 0.46 3.14 1.01 -1.26 -0.62 120.40 124.16 3k7a s VAL 96 Ca 0.39 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.49 3k7a s VAL 96 Cb -0.18 -0.05 -0.01 0.00 0.00 0.00 0.00 36.38 36.14 3k7a s VAL 96 CO 0.18 0.04 0.06 0.23 0.00 0.00 0.00 175.10 175.62 3k7a n MET 97 N 3.60 0.71 -3.73 2.72 2.81 0.96 -4.94 117.12 119.25 3k7a n MET 97 Ca -0.19 -3.53 -0.13 0.00 -1.81 0.00 0.00 57.70 52.04 3k7a n MET 97 Cb 0.55 1.35 -0.10 0.00 -0.71 0.00 0.00 33.22 34.31 3k7a n MET 97 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 3k7a s TYR 98 N -2.91 -0.45 0.25 2.03 5.04 -1.26 -2.23 117.35 117.82 3k7a s TYR 98 Ca 0.09 1.10 -0.12 0.00 -2.44 0.00 0.00 57.07 55.70 3k7a s TYR 98 Cb 0.00 0.16 0.05 0.00 0.35 0.00 0.00 41.96 42.52 3k7a s TYR 98 CO 0.06 -0.23 0.61 0.41 -1.34 0.00 0.00 175.55 175.06 3k7a n GLY 99 N 2.78 1.16 3.31 8.97 0.00 -0.13 -4.55 105.19 116.74 3k7a n GLY 99 Ca -0.13 -1.16 -0.32 0.00 0.00 0.00 0.00 46.02 44.40 3k7a n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k7a s THR 100 N -2.32 2.48 0.07 2.61 2.01 -0.41 -3.65 115.64 116.44 3k7a s THR 100 Ca 0.12 -0.89 -0.21 0.00 0.31 0.00 0.00 61.69 61.02 3k7a s THR 100 Cb -0.03 -1.97 -0.06 0.00 0.01 0.00 0.00 72.50 70.44 3k7a s THR 100 CO 0.08 0.56 0.62 0.00 -0.69 0.00 0.00 174.62 175.18 3k7a s ALA 101 N 0.03 3.53 -0.03 7.40 0.00 -1.25 -0.99 121.76 130.45 3k7a s ALA 101 Ca -0.07 0.10 -0.04 0.00 0.00 0.00 0.00 51.96 51.95 3k7a s ALA 101 Cb -0.15 -2.74 -0.02 0.00 0.00 0.00 0.00 23.12 20.21 3k7a s ALA 101 CO 0.05 0.30 -0.08 2.48 0.00 0.00 0.00 175.76 178.51 3k7a n TYR 102 N 2.01 0.00 -4.75 0.00 0.18 -0.73 -4.69 117.16 109.18 3k7a n TYR 102 Ca -0.08 0.00 -0.31 0.00 1.88 0.00 0.00 57.90 59.39 3k7a n TYR 102 Cb 0.50 -0.19 -0.13 0.00 -0.38 0.00 0.00 39.34 39.15 3k7a n TYR 102 CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 3k7a s LYS 103 N -2.16 2.12 -0.26 -3.48 2.20 -1.26 -5.02 119.74 111.89 3k7a s LYS 103 Ca -0.08 -0.95 -0.01 0.00 -0.36 0.00 0.00 55.97 54.57 3k7a s LYS 103 Cb 0.02 -2.19 0.03 0.00 -1.51 0.00 0.00 37.83 34.19 3k7a s LYS 103 CO 0.11 0.55 -0.05 -0.06 -0.36 0.00 0.00 175.35 175.54 3k7a s PHE 104 N -0.87 3.13 0.16 4.03 0.40 -1.26 -0.83 117.98 122.74 3k7a s PHE 104 Ca 0.14 -1.68 0.07 0.00 -0.60 0.00 0.00 56.93 54.85 3k7a s PHE 104 Cb -0.10 -2.06 -0.04 0.00 0.51 0.00 0.00 43.02 41.32 3k7a s PHE 104 CO 0.04 -0.76 0.01 -1.21 0.70 0.00 0.00 175.22 174.00 3k7a s GLU 105 N 1.29 2.45 -0.72 0.44 2.02 -0.96 -5.01 118.70 118.22 3k7a s GLU 105 Ca -0.02 -1.07 -0.17 0.00 0.02 0.00 0.00 54.97 53.73 3k7a s GLU 105 Cb -0.18 -2.39 0.14 0.00 0.10 0.00 0.00 34.13 31.80 3k7a s GLU 105 CO -0.04 0.47 0.80 -1.21 0.02 0.00 0.00 175.26 175.29 3k7a s GLU 106 N -2.89 3.29 0.00 1.61 2.02 -1.26 -1.38 118.70 120.10 3k7a s GLU 106 Ca 0.27 -1.71 0.00 0.00 0.02 0.00 0.00 54.97 53.55 3k7a s GLU 106 Cb -0.10 -4.44 0.00 0.00 0.10 0.00 0.00 34.13 29.69 3k7a s GLU 106 CO 0.19 -1.52 0.48 0.28 0.02 0.00 0.00 175.26 174.71 3k7a n VAL 107 N 5.13 0.36 -1.23 2.63 0.31 -1.12 -4.90 118.33 119.51 3k7a n VAL 107 Ca 0.03 0.13 0.13 0.00 -0.01 0.00 0.00 64.34 64.61 3k7a n VAL 107 Cb 0.45 -1.13 -0.03 0.00 -0.91 0.00 0.00 33.84 32.22 3k7a n VAL 107 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3k7a n SER 108 N -0.98 -5.90 0.00 4.52 3.41 -1.20 -4.91 113.62 108.57 3k7a n SER 108 Ca 0.00 1.02 0.00 0.00 -0.26 0.00 0.00 58.87 59.63 3k7a n SER 108 Cb 0.04 -2.88 0.00 0.00 -0.26 0.00 0.00 64.21 61.11 3k7a n SER 108 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3k7a n LYS 109 N -3.16 0.00 -1.16 4.33 4.81 -1.26 -2.66 118.16 119.06 3k7a n LYS 109 Ca 0.01 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.20 3k7a n LYS 109 Cb 0.43 0.00 0.04 0.00 0.02 0.00 0.00 35.03 35.52 3k7a n LYS 109 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 3k7a n ASP 110 N -2.35 6.90 -3.79 3.14 5.75 -1.26 -4.90 116.55 120.04 3k7a n ASP 110 Ca 0.00 -3.34 -0.13 0.00 -0.01 0.00 0.00 54.79 51.31 3k7a n ASP 110 Cb 0.00 -1.06 -0.13 0.00 -1.03 0.00 0.00 41.12 38.90 3k7a n ASP 110 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3k7a s LEU 111 N -2.58 1.15 -0.01 -2.12 1.43 -1.09 -4.72 118.68 110.74 3k7a s LEU 111 Ca 0.46 0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.91 3k7a s LEU 111 Cb 0.35 0.55 0.01 0.00 0.03 0.00 0.00 46.19 47.13 3k7a s LEU 111 CO -0.06 -0.09 -0.00 -0.63 0.23 0.00 0.00 176.35 175.80 3k7a s ILE 112 N 0.41 0.09 0.41 -0.59 1.01 -0.39 -2.79 121.20 119.36 3k7a s ILE 112 Ca -0.03 0.02 0.08 0.00 0.00 0.00 0.00 60.65 60.72 3k7a s ILE 112 Cb -0.04 -0.13 -0.03 0.00 0.01 0.00 0.00 42.46 42.27 3k7a s ILE 112 CO -0.02 0.07 0.31 0.00 0.00 0.00 0.00 174.94 175.29 3k7a s ALA 113 N 0.38 3.89 0.03 9.38 0.00 -0.48 -1.69 121.76 133.28 3k7a s ALA 113 Ca -0.03 -1.96 -0.07 0.00 0.00 0.00 0.00 51.96 49.90 3k7a s ALA 113 Cb -0.05 -0.80 -0.00 0.00 0.00 0.00 0.00 23.12 22.26 3k7a s ALA 113 CO -0.01 -0.20 0.14 0.14 0.00 0.00 0.00 175.76 175.83 3k7a s VAL 114 N -2.51 0.11 -0.05 0.00 -7.23 -0.74 -2.26 120.40 107.73 3k7a s VAL 114 Ca 0.45 -0.93 0.04 0.00 -1.81 0.00 0.00 61.98 59.74 3k7a s VAL 114 Cb -0.01 -0.78 -0.00 0.00 0.56 0.00 0.00 36.38 36.15 3k7a s VAL 114 CO 0.26 -0.51 -0.17 -0.31 -0.31 0.00 0.00 175.10 174.06 3k7a s TYR 115 N -2.28 1.78 0.02 2.82 1.51 -0.01 -1.93 117.35 119.26 3k7a s TYR 115 Ca -0.08 -0.56 0.05 0.00 -1.01 0.00 0.00 57.07 55.47 3k7a s TYR 115 Cb -0.03 -1.21 -0.02 0.00 -0.11 0.00 0.00 41.96 40.59 3k7a s TYR 115 CO -0.03 -0.21 -0.15 0.71 -1.11 0.00 0.00 175.55 174.76 3k7a s TYR 116 N 0.18 1.32 -0.10 2.71 1.51 -0.41 -1.77 117.35 120.80 3k7a s TYR 116 Ca -0.07 -0.31 0.04 0.00 -1.01 0.00 0.00 57.07 55.71 3k7a s TYR 116 Cb -0.13 -0.81 0.00 0.00 -0.11 0.00 0.00 41.96 40.91 3k7a s TYR 116 CO 0.03 0.02 -0.22 0.45 -1.11 0.00 0.00 175.55 174.72 3k7a s SER 117 N -0.81 2.92 -0.77 2.29 0.15 -0.16 -1.68 113.70 115.64 3k7a s SER 117 Ca 0.04 -0.53 0.03 0.00 0.70 0.00 0.00 55.95 56.19 3k7a s SER 117 Cb -0.07 -1.34 0.28 0.00 -1.71 0.00 0.00 66.02 63.19 3k7a s SER 117 CO 0.01 0.14 1.05 0.49 1.20 0.00 0.00 173.24 176.12 3k7a n PHE 118 N 3.59 3.30 -2.03 3.44 3.01 -0.61 -1.29 117.46 126.88 3k7a n PHE 118 Ca -0.20 -3.61 -0.13 0.00 1.01 0.00 0.00 57.45 54.53 3k7a n PHE 118 Cb 0.53 -0.77 -0.02 0.00 -0.01 0.00 0.00 39.48 39.21 3k7a n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3k7a n GLY 119 N 0.71 0.21 0.00 1.37 0.00 -1.26 -2.99 105.19 103.24 3k7a n GLY 119 Ca 0.30 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3k7a n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k7a n GLY 120 N -1.12 2.12 3.57 -0.02 0.00 -1.26 -5.06 105.19 103.43 3k7a n GLY 120 Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 3k7a n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k7a s LEU 121 N 0.00 3.37 0.72 0.99 1.43 -1.16 -4.99 118.68 119.04 3k7a s LEU 121 Ca 0.00 0.28 -0.07 0.00 -1.03 0.00 0.00 54.13 53.31 3k7a s LEU 121 Cb 0.00 -2.96 0.06 0.00 0.03 0.00 0.00 46.19 43.32 3k7a s LEU 121 CO 0.00 -1.82 1.04 -0.76 0.23 0.00 0.00 176.35 175.04 3k7a s LEU 122 N 6.52 2.78 -0.28 1.79 1.43 -1.26 -1.57 118.68 128.08 3k7a s LEU 122 Ca 0.54 0.52 -0.15 0.00 -1.03 0.00 0.00 54.13 54.01 3k7a s LEU 122 Cb -0.11 -3.15 0.09 0.00 0.03 0.00 0.00 46.19 43.05 3k7a s LEU 122 CO 0.24 -1.63 0.68 -0.32 0.23 0.00 0.00 176.35 175.55 3k7a s MET 123 N -5.29 0.69 -0.07 1.70 -2.45 -0.68 -1.18 119.30 112.01 3k7a s MET 123 Ca 0.60 1.27 0.03 0.00 -1.25 0.00 0.00 55.69 56.34 3k7a s MET 123 Cb -0.11 0.26 -0.02 0.00 1.25 0.00 0.00 34.83 36.22 3k7a s MET 123 CO 0.45 -0.16 -0.17 0.50 1.05 0.00 0.00 175.02 176.70 3k7a s ARG 124 N 1.85 2.75 -0.13 4.11 3.52 -0.44 -1.28 118.95 129.32 3k7a s ARG 124 Ca -0.09 -0.75 -0.01 0.00 -0.13 0.00 0.00 55.73 54.74 3k7a s ARG 124 Cb -0.06 -2.39 0.04 0.00 -1.56 0.00 0.00 34.95 30.98 3k7a s ARG 124 CO -0.20 0.45 -0.03 -1.17 -0.81 0.00 0.00 175.30 173.54 3k7a s LEU 125 N -0.28 1.16 -0.22 -0.88 2.96 -0.81 -1.67 118.68 118.94 3k7a s LEU 125 Ca 0.01 -0.45 -0.07 0.00 -0.22 0.00 0.00 54.13 53.40 3k7a s LEU 125 Cb -0.13 -0.71 -0.04 0.00 0.50 0.00 0.00 46.19 45.82 3k7a s LEU 125 CO 0.03 -0.19 0.07 -0.70 -1.32 0.00 0.00 176.35 174.23 3k7a s GLU 126 N 1.78 3.81 0.00 1.98 2.12 -1.00 -1.78 118.70 125.61 3k7a s GLU 126 Ca 0.03 -0.41 0.00 0.00 0.36 0.00 0.00 54.97 54.94 3k7a s GLU 126 Cb -0.14 -3.28 0.00 0.00 0.26 0.00 0.00 34.13 30.97 3k7a s GLU 126 CO -0.07 0.03 0.00 0.41 -0.54 0.00 0.00 175.26 175.09 3k7a n GLY 127 N 4.27 2.83 0.87 -1.50 0.00 -0.68 -2.68 105.19 108.31 3k7a n GLY 127 Ca -0.16 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3k7a n GLY 127 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3k7a n ASN 128 N 0.00 -0.39 0.11 1.61 2.85 -1.26 -1.26 115.26 116.92 3k7a n ASN 128 Ca 0.00 0.14 0.07 0.00 -0.11 0.00 0.00 54.58 54.69 3k7a n ASN 128 Cb 0.00 0.59 0.39 0.00 1.24 0.00 0.00 39.78 42.00 3k7a n ASN 128 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3k7a n TYR 129 N -2.42 0.48 0.80 1.20 0.18 -1.26 -2.17 117.16 113.97 3k7a n TYR 129 Ca 0.00 0.25 0.08 0.00 1.88 0.00 0.00 57.90 60.11 3k7a n TYR 129 Cb 0.00 -0.88 0.42 0.00 -0.38 0.00 0.00 39.34 38.50 3k7a n TYR 129 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 3k7a n ARG 130 N -2.00 0.26 -0.49 -3.48 1.74 -1.26 -3.73 116.66 107.70 3k7a n ARG 130 Ca -0.01 0.12 0.41 0.00 -0.77 0.00 0.00 57.85 57.60 3k7a n ARG 130 Cb 0.05 -1.50 0.69 0.00 -1.02 0.00 0.00 32.46 30.68 3k7a n ARG 130 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 3k7a h ASN 131 N 0.00 0.19 0.00 0.55 2.35 -1.79 0.72 115.58 117.60 3k7a h ASN 131 Ca 0.00 0.13 -0.31 0.00 -0.55 0.00 0.00 56.30 55.57 3k7a h ASN 131 Cb 0.14 0.13 -0.05 0.00 0.05 0.00 0.00 38.32 38.59 3k7a h ASN 131 CO 0.00 -0.21 -2.09 0.18 -1.65 0.00 0.00 177.43 173.67 3k7a n LEU 132 N -4.63 1.96 -0.20 1.61 4.77 -1.24 -4.68 117.00 114.59 3k7a n LEU 132 Ca 0.40 0.12 -0.03 0.00 -0.03 0.00 0.00 56.01 56.46 3k7a n LEU 132 Cb 1.58 -0.60 0.07 0.00 -2.33 0.00 0.00 43.42 42.13 3k7a n LEU 132 CO 0.22 0.55 1.06 0.78 -1.33 0.00 0.00 177.39 178.68 3k7a h ASN 133 N -0.46 0.49 -3.93 -1.43 2.35 -1.60 -3.43 115.58 107.57 3k7a h ASN 133 Ca -0.47 0.02 -0.48 0.00 -0.55 0.00 0.00 56.30 54.82 3k7a h ASN 133 Cb 1.51 -0.07 0.01 0.00 0.05 0.00 0.00 38.32 39.81 3k7a h ASN 133 CO -0.22 0.33 0.40 0.21 -1.65 0.00 0.00 177.43 176.49 3k7a s ASN 134 N -5.57 6.98 0.00 5.81 3.84 0.20 -4.67 114.94 121.53 3k7a s ASN 134 Ca -0.13 1.99 0.00 0.00 0.21 0.00 0.00 52.86 54.93 3k7a s ASN 134 Cb 0.15 -2.59 0.00 0.00 -0.55 0.00 0.00 41.25 38.26 3k7a s ASN 134 CO 0.75 -0.33 0.00 -0.11 -2.79 0.00 0.00 177.10 174.61 3k7a n LEU 135 N 0.20 0.00 0.00 3.21 0.00 -1.26 -4.91 117.00 114.24 3k7a n LEU 135 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.05 3k7a n LEU 135 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.91 3k7a n LEU 135 CO 0.45 -0.04 0.00 1.17 0.00 0.00 0.00 177.39 178.97 3k7a n LYS 136 N 0.00 0.00 -4.60 1.96 4.81 -1.26 -5.06 118.16 114.01 3k7a n LYS 136 Ca 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.16 3k7a n LYS 136 Cb 0.00 -0.01 -0.08 0.00 0.02 0.00 0.00 35.03 34.96 3k7a n LYS 136 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 3k7a s GLN 137 N 0.00 2.03 0.11 1.64 -0.21 -1.26 -5.02 119.66 116.95 3k7a s GLN 137 Ca 0.00 -2.26 -0.25 0.00 0.02 0.00 0.00 55.36 52.86 3k7a s GLN 137 Cb 0.00 -0.89 -0.07 0.00 1.00 0.00 0.00 33.01 33.04 3k7a s GLN 137 CO 0.00 -0.46 1.43 1.49 -2.12 0.00 0.00 175.29 175.64 3k7a h GLU 138 N 1.63 -0.18 -5.53 2.91 4.81 -1.89 -3.38 114.58 112.96 3k7a h GLU 138 Ca -0.38 0.01 -0.74 0.00 -0.13 0.00 0.00 59.36 58.12 3k7a h GLU 138 Cb 1.29 0.04 0.04 0.00 0.63 0.00 0.00 28.75 30.75 3k7a h GLU 138 CO 0.62 -0.12 0.15 0.09 -0.73 0.00 0.00 179.01 179.01 3k7a n ASN 139 N -4.80 0.17 0.00 1.04 3.02 -1.26 -3.91 115.26 109.51 3k7a n ASN 139 Ca -0.01 1.07 0.00 0.00 -0.03 0.00 0.00 54.58 55.61 3k7a n ASN 139 Cb 0.24 -0.84 0.00 0.00 -0.61 0.00 0.00 39.78 38.57 3k7a n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k7a n ALA 140 N 1.74 0.00 -2.85 5.41 0.00 -1.24 -4.88 120.51 118.69 3k7a n ALA 140 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.30 3k7a n ALA 140 Cb 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.45 3k7a n ALA 140 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3k7a s TYR 141 N 0.00 3.56 -0.12 0.00 1.51 -1.22 -0.95 117.35 120.12 3k7a s TYR 141 Ca 0.00 0.44 0.03 0.00 -1.01 0.00 0.00 57.07 56.53 3k7a s TYR 141 Cb 0.00 -1.89 0.00 0.00 -0.11 0.00 0.00 41.96 39.96 3k7a s TYR 141 CO 0.00 0.63 -0.21 -1.17 -1.11 0.00 0.00 175.55 173.69 3k7a s LEU 142 N -1.87 2.20 -0.06 -1.29 2.96 -0.94 -4.16 118.68 115.52 3k7a s LEU 142 Ca 0.27 -0.54 0.04 0.00 -0.22 0.00 0.00 54.13 53.68 3k7a s LEU 142 Cb -0.13 -1.46 0.00 0.00 0.50 0.00 0.00 46.19 45.11 3k7a s LEU 142 CO 0.17 0.13 -0.18 -0.76 -1.32 0.00 0.00 176.35 174.40 3k7a s LEU 143 N 0.52 1.89 -0.02 -0.68 1.02 0.63 -0.03 118.68 122.01 3k7a s LEU 143 Ca -0.13 -0.39 0.00 0.00 0.02 0.00 0.00 54.13 53.63 3k7a s LEU 143 Cb -0.17 -1.04 0.03 0.00 0.02 0.00 0.00 46.19 45.03 3k7a s LEU 143 CO 0.05 0.13 0.02 -0.63 0.02 0.00 0.00 176.35 175.94 3k7a s ILE 144 N 0.23 -0.02 0.01 -0.59 1.01 0.21 -0.55 121.20 121.50 3k7a s ILE 144 Ca -0.09 0.20 0.03 0.00 0.00 0.00 0.00 60.65 60.78 3k7a s ILE 144 Cb -0.14 -0.11 -0.01 0.00 0.01 0.00 0.00 42.46 42.21 3k7a s ILE 144 CO 0.04 0.10 -0.09 0.00 0.00 0.00 0.00 174.94 174.99 3k7a s ARG 145 N 1.06 0.63 0.00 2.79 1.70 -1.08 -0.67 118.95 123.39 3k7a s ARG 145 Ca -0.09 -0.47 0.00 0.00 -0.47 0.00 0.00 55.73 54.70 3k7a s ARG 145 Cb -0.13 -0.57 0.00 0.00 -0.57 0.00 0.00 34.95 33.68 3k7a s ARG 145 CO -0.03 0.14 0.00 0.54 -1.08 0.00 0.00 175.30 174.88