#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k17 s LYS 8 N 0.00 3.03 -0.23 3.52 1.02 -1.26 -4.84 119.74 120.97 3k17 s LYS 8 Ca 0.00 -0.84 -0.09 0.00 0.02 0.00 0.00 55.97 55.06 3k17 s LYS 8 Cb 0.00 -2.71 -0.04 0.00 -0.52 0.00 0.00 37.83 34.56 3k17 s LYS 8 CO 0.00 0.48 0.12 -1.17 -0.92 0.00 0.00 175.35 173.86 3k17 s LEU 9 N -3.25 3.91 -0.18 3.17 2.96 0.56 -4.09 118.68 121.76 3k17 s LEU 9 Ca 0.32 0.03 -0.02 0.00 -0.22 0.00 0.00 54.13 54.24 3k17 s LEU 9 Cb -0.10 -2.04 -0.01 0.00 0.50 0.00 0.00 46.19 44.54 3k17 s LEU 9 CO 0.25 0.06 -0.08 -1.58 -1.32 0.00 0.00 176.35 173.68 3k17 s GLN 10 N 1.08 3.41 -0.15 1.98 0.74 -0.18 -0.14 119.66 126.40 3k17 s GLN 10 Ca 0.06 -0.64 0.02 0.00 0.05 0.00 0.00 55.36 54.85 3k17 s GLN 10 Cb -0.14 -2.85 0.01 0.00 1.10 0.00 0.00 33.01 31.13 3k17 s GLN 10 CO 0.04 0.01 -0.19 0.08 -0.55 0.00 0.00 175.29 174.68 3k17 s VAL 11 N 0.92 2.30 -0.22 1.34 1.01 0.19 -1.36 120.40 124.59 3k17 s VAL 11 Ca -0.01 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 3k17 s VAL 11 Cb -0.15 -1.94 0.02 0.00 0.00 0.00 0.00 36.38 34.31 3k17 s VAL 11 CO 0.00 0.53 -0.12 -0.54 0.00 0.00 0.00 175.10 174.98 3k17 s LYS 12 N 0.83 2.97 -0.19 2.72 1.02 0.17 -0.27 119.74 126.99 3k17 s LYS 12 Ca -0.06 -0.87 -0.04 0.00 0.02 0.00 0.00 55.97 55.02 3k17 s LYS 12 Cb -0.15 -2.82 -0.02 0.00 -0.52 0.00 0.00 37.83 34.32 3k17 s LYS 12 CO -0.02 -0.29 -0.02 0.42 -0.92 0.00 0.00 175.35 174.52 3k17 s ILE 13 N 1.33 3.86 0.57 2.17 -1.09 -0.21 -1.89 121.20 125.93 3k17 s ILE 13 Ca 0.03 -0.35 -0.16 0.00 -2.23 0.00 0.00 60.65 57.93 3k17 s ILE 13 Cb -0.15 -2.73 -0.05 0.00 -1.58 0.00 0.00 42.46 37.96 3k17 s ILE 13 CO -0.08 0.45 1.05 -2.16 -1.23 0.00 0.00 174.94 172.97 3k17 s PRO 14 N 0.85 3.46 1.01 2.79 0.04 -1.26 -0.90 135.00 140.99 3k17 s PRO 14 Ca 0.00 1.19 -0.17 0.00 0.04 0.00 0.00 61.00 62.06 3k17 s PRO 14 Cb -0.14 -2.05 0.22 0.00 0.04 0.00 0.00 34.50 32.56 3k17 s PRO 14 CO 0.02 -0.69 1.29 0.20 0.04 0.00 0.00 177.00 177.85 3k17 s GLY 15 N -2.73 1.75 0.11 0.56 0.00 0.12 -4.55 107.32 102.57 3k17 s GLY 15 Ca 0.63 -1.17 0.03 0.00 0.00 0.00 0.00 44.72 44.21 3k17 s GLY 15 CO 0.34 -0.37 -0.08 -1.59 0.00 0.00 0.00 173.10 171.40 3k17 s LYS 16 N -5.81 0.91 -0.10 2.90 0.00 0.12 -0.58 119.74 117.18 3k17 s LYS 16 Ca 0.74 -1.34 -0.04 0.00 0.00 0.00 0.00 55.97 55.33 3k17 s LYS 16 Cb -0.05 -0.40 0.05 0.00 0.00 0.00 0.00 37.83 37.43 3k17 s LYS 16 CO 0.54 0.03 0.19 -0.51 0.00 0.00 0.00 175.35 175.60 3k17 s LEU 17 N -2.98 0.01 0.36 2.77 1.43 -0.46 -4.30 118.68 115.51 3k17 s LEU 17 Ca 0.12 0.42 -0.27 0.00 -1.03 0.00 0.00 54.13 53.37 3k17 s LEU 17 Cb 0.03 0.44 -0.09 0.00 0.03 0.00 0.00 46.19 46.60 3k17 s LEU 17 CO -0.02 -0.22 1.20 -0.31 0.23 0.00 0.00 176.35 177.23 3k17 s TYR 18 N 2.09 3.15 -0.11 0.29 2.02 -1.26 -1.89 117.35 121.64 3k17 s TYR 18 Ca -0.00 1.53 0.05 0.00 -0.37 0.00 0.00 57.07 58.29 3k17 s TYR 18 Cb -0.12 -3.47 -0.10 0.00 -0.40 0.00 0.00 41.96 37.86 3k17 s TYR 18 CO -0.07 -1.38 -0.03 0.28 -1.57 0.00 0.00 175.55 172.79 3k17 n VAL 19 N 0.51 0.68 -3.52 0.71 0.31 0.22 -4.33 118.33 112.92 3k17 n VAL 19 Ca 0.02 -0.35 -0.13 0.00 -0.01 0.00 0.00 64.34 63.87 3k17 n VAL 19 Cb 0.45 -0.82 -0.04 0.00 -0.91 0.00 0.00 33.84 32.51 3k17 n VAL 19 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3k17 s ALA 20 N -2.24 -1.80 0.00 3.52 0.00 -1.18 -4.97 121.76 115.09 3k17 s ALA 20 Ca -0.10 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.05 3k17 s ALA 20 Cb 0.03 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.19 3k17 s ALA 20 CO 0.35 -0.49 0.00 0.41 0.00 0.00 0.00 175.76 176.03 3k17 n GLY 21 N 0.38 0.75 3.73 0.00 0.00 -1.26 -1.57 105.19 107.22 3k17 n GLY 21 Ca -0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 3k17 n GLY 21 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3k17 n GLU 22 N -2.31 1.30 0.00 1.61 4.71 -1.26 -1.60 120.64 123.09 3k17 n GLU 22 Ca 0.00 0.50 0.00 0.00 -0.01 0.00 0.00 57.16 57.65 3k17 n GLU 22 Cb 0.00 -2.55 0.00 0.00 -1.01 0.00 0.00 31.44 27.88 3k17 n GLU 22 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 3k17 n TYR 23 N -1.64 0.00 0.05 -0.32 4.01 -1.26 -4.47 117.16 113.53 3k17 n TYR 23 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 3k17 n TYR 23 Cb 0.47 0.00 0.31 0.00 -0.31 0.00 0.00 39.34 39.81 3k17 n TYR 23 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3k17 h ALA 24 N 0.00 1.37 -0.00 -0.72 0.00 -1.96 -2.59 119.26 115.35 3k17 h ALA 24 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3k17 h ALA 24 Cb 0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3k17 h ALA 24 CO 0.00 0.43 0.12 -0.24 0.00 0.00 0.00 179.25 179.56 3k17 h VAL 25 N 0.36 0.01 0.00 0.00 3.04 -1.52 0.55 116.25 118.69 3k17 h VAL 25 Ca 0.07 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.73 3k17 h VAL 25 Cb 0.43 0.88 -0.00 0.00 -2.01 0.00 0.00 31.29 30.58 3k17 h VAL 25 CO 0.02 0.00 -0.16 -0.37 -1.01 0.00 0.00 177.57 176.06 3k17 h VAL 26 N 0.00 0.51 -3.63 1.51 -1.51 -1.77 -3.43 116.25 107.93 3k17 h VAL 26 Ca 0.00 -0.78 -0.51 0.00 -1.23 0.00 0.00 66.70 64.18 3k17 h VAL 26 Cb 0.24 1.53 0.02 0.00 -2.13 0.00 0.00 31.29 30.94 3k17 h VAL 26 CO -0.00 0.15 0.51 -1.61 -1.23 0.00 0.00 177.57 175.39 3k17 s GLU 27 N -3.92 4.57 0.46 5.19 0.41 0.18 -4.79 118.70 120.79 3k17 s GLU 27 Ca -0.01 1.82 -0.23 0.00 -0.41 0.00 0.00 54.97 56.13 3k17 s GLU 27 Cb 0.12 -3.23 -0.09 0.00 -1.78 0.00 0.00 34.13 29.15 3k17 s GLU 27 CO 0.60 0.06 1.08 0.43 -0.49 0.00 0.00 175.26 176.94 3k17 n SER 28 N 1.96 1.56 0.00 -0.19 7.64 -1.26 -1.92 113.62 121.41 3k17 n SER 28 Ca 0.02 1.01 0.00 0.00 1.01 0.00 0.00 58.87 60.91 3k17 n SER 28 Cb 0.45 -1.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 3k17 n SER 28 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k17 n GLY 29 N 1.09 0.64 3.88 0.23 0.00 0.99 -4.95 105.19 107.08 3k17 n GLY 29 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 3k17 n GLY 29 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3k17 s HIS 30 N -2.29 3.47 0.05 1.61 4.02 -0.81 -4.72 115.29 116.63 3k17 s HIS 30 Ca 0.00 1.01 0.08 0.00 1.02 0.00 0.00 55.06 57.17 3k17 s HIS 30 Cb 0.00 -2.41 -0.03 0.00 -1.02 0.00 0.00 32.58 29.11 3k17 s HIS 30 CO 0.00 -0.10 -0.22 0.99 1.02 0.00 0.00 174.74 176.44 3k17 s THR 31 N -2.37 2.52 0.09 1.30 2.01 -1.26 -1.24 115.64 116.70 3k17 s THR 31 Ca 0.51 -1.30 0.03 0.00 0.31 0.00 0.00 61.69 61.23 3k17 s THR 31 Cb -0.10 -2.04 -0.04 0.00 0.01 0.00 0.00 72.50 70.33 3k17 s THR 31 CO 0.32 0.33 -0.08 0.00 -0.69 0.00 0.00 174.62 174.50 3k17 s ALA 32 N -0.89 0.99 -0.11 7.40 0.00 0.36 -4.63 121.76 124.88 3k17 s ALA 32 Ca 0.14 -1.22 -0.03 0.00 0.00 0.00 0.00 51.96 50.85 3k17 s ALA 32 Cb -0.10 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.08 3k17 s ALA 32 CO 0.04 -0.13 0.00 0.42 0.00 0.00 0.00 175.76 176.09 3k17 s ILE 33 N -2.89 4.31 0.04 0.00 -1.09 -0.61 0.44 121.20 121.41 3k17 s ILE 33 Ca 0.07 -0.24 -0.06 0.00 -2.23 0.00 0.00 60.65 58.20 3k17 s ILE 33 Cb 0.00 -2.84 -0.01 0.00 -1.58 0.00 0.00 42.46 38.03 3k17 s ILE 33 CO -0.02 0.57 0.10 -0.76 -1.23 0.00 0.00 174.94 173.60 3k17 s LEU 34 N -0.56 1.80 0.01 2.97 1.02 -0.31 -0.61 118.68 123.00 3k17 s LEU 34 Ca 0.09 -0.54 0.04 0.00 0.02 0.00 0.00 54.13 53.74 3k17 s LEU 34 Cb -0.12 0.61 -0.02 0.00 0.02 0.00 0.00 46.19 46.69 3k17 s LEU 34 CO 0.02 -0.52 -0.13 0.28 0.02 0.00 0.00 176.35 176.03 3k17 s THR 35 N -2.67 0.99 0.50 5.49 -1.32 -0.79 -0.76 115.64 117.07 3k17 s THR 35 Ca -0.04 -0.74 -0.10 0.00 -1.21 0.00 0.00 61.69 59.59 3k17 s THR 35 Cb -0.01 -0.87 -0.05 0.00 -1.51 0.00 0.00 72.50 70.06 3k17 s THR 35 CO -0.05 0.12 0.88 0.00 -2.21 0.00 0.00 174.62 173.36 3k17 s ALA 36 N -0.57 3.25 0.29 11.08 0.00 -0.28 -1.35 121.76 134.18 3k17 s ALA 36 Ca 0.03 -0.18 0.11 0.00 0.00 0.00 0.00 51.96 51.92 3k17 s ALA 36 Cb -0.06 -2.84 -0.05 0.00 0.00 0.00 0.00 23.12 20.16 3k17 s ALA 36 CO 0.00 -0.30 -0.14 0.14 0.00 0.00 0.00 175.76 175.47 3k17 s VAL 37 N -2.70 2.64 0.00 0.00 -7.23 0.25 -1.84 120.40 111.51 3k17 s VAL 37 Ca 0.53 -2.27 -0.01 0.00 -1.81 0.00 0.00 61.98 58.42 3k17 s VAL 37 Cb -0.10 -2.47 -0.03 0.00 0.56 0.00 0.00 36.38 34.34 3k17 s VAL 37 CO 0.40 -0.36 1.82 -0.46 -0.31 0.00 0.00 175.10 176.19 3k17 n ASN 38 N -0.71 4.38 -3.86 4.85 6.94 -1.00 -3.56 115.26 122.31 3k17 n ASN 38 Ca -0.05 -2.18 -0.19 0.00 -0.02 0.00 0.00 54.58 52.14 3k17 n ASN 38 Cb 0.60 -0.96 -0.16 0.00 -2.36 0.00 0.00 39.78 36.90 3k17 n ASN 38 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 3k17 s ARG 39 N 0.48 0.64 0.25 -3.83 0.52 -1.26 -5.00 118.95 110.75 3k17 s ARG 39 Ca 0.07 -0.03 0.09 0.00 -0.52 0.00 0.00 55.73 55.34 3k17 s ARG 39 Cb 0.03 -0.72 -0.05 0.00 0.52 0.00 0.00 34.95 34.73 3k17 s ARG 39 CO 0.00 -0.11 -0.15 0.71 0.02 0.00 0.00 175.30 175.77 3k17 s TYR 40 N 0.99 2.00 -0.14 -0.53 2.02 -1.26 -0.71 117.35 119.73 3k17 s TYR 40 Ca -0.10 -0.50 -0.05 0.00 -0.37 0.00 0.00 57.07 56.05 3k17 s TYR 40 Cb -0.14 -0.95 -0.04 0.00 -0.40 0.00 0.00 41.96 40.43 3k17 s TYR 40 CO -0.01 0.49 0.04 0.42 -1.57 0.00 0.00 175.55 174.93 3k17 s ILE 41 N -2.79 4.62 -0.16 2.71 1.01 -0.08 -1.04 121.20 125.48 3k17 s ILE 41 Ca 0.27 -0.11 0.02 0.00 0.00 0.00 0.00 60.65 60.82 3k17 s ILE 41 Cb -0.01 -3.02 0.01 0.00 0.01 0.00 0.00 42.46 39.45 3k17 s ILE 41 CO 0.11 0.54 -0.20 -0.89 0.00 0.00 0.00 174.94 174.50 3k17 s THR 42 N -0.29 2.17 -0.23 2.92 2.01 0.09 -1.05 115.64 121.28 3k17 s THR 42 Ca 0.08 -0.93 -0.02 0.00 0.31 0.00 0.00 61.69 61.12 3k17 s THR 42 Cb -0.12 -1.89 0.01 0.00 0.01 0.00 0.00 72.50 70.51 3k17 s THR 42 CO 0.02 0.54 -0.07 -0.22 -0.69 0.00 0.00 174.62 174.20 3k17 s LEU 43 N 0.99 2.93 -0.23 4.42 0.20 0.63 -0.49 118.68 127.12 3k17 s LEU 43 Ca -0.03 -0.62 -0.08 0.00 0.69 0.00 0.00 54.13 54.10 3k17 s LEU 43 Cb -0.15 -1.68 -0.03 0.00 -0.43 0.00 0.00 46.19 43.90 3k17 s LEU 43 CO -0.05 -0.06 0.08 -0.89 -0.29 0.00 0.00 176.35 175.13 3k17 s THR 44 N 1.40 4.53 0.00 3.68 2.01 -0.17 -0.64 115.64 126.45 3k17 s THR 44 Ca 0.04 -0.11 0.07 0.00 0.31 0.00 0.00 61.69 62.00 3k17 s THR 44 Cb -0.15 -3.10 -0.03 0.00 0.01 0.00 0.00 72.50 69.24 3k17 s THR 44 CO -0.05 0.37 -0.22 -0.22 -0.69 0.00 0.00 174.62 173.81 3k17 s LEU 45 N 1.25 2.34 0.12 4.42 0.20 0.81 -1.08 118.68 126.75 3k17 s LEU 45 Ca 0.05 -0.44 -0.16 0.00 0.69 0.00 0.00 54.13 54.27 3k17 s LEU 45 Cb -0.14 -1.41 0.03 0.00 -0.43 0.00 0.00 46.19 44.24 3k17 s LEU 45 CO 0.04 0.29 0.40 -1.83 -0.29 0.00 0.00 176.35 174.96 3k17 s GLU 46 N -0.98 1.06 0.52 1.98 -1.05 -0.50 -0.32 118.70 119.40 3k17 s GLU 46 Ca 0.12 -0.72 -0.20 0.00 -0.15 0.00 0.00 54.97 54.02 3k17 s GLU 46 Cb -0.10 0.47 -0.07 0.00 -0.44 0.00 0.00 34.13 33.98 3k17 s GLU 46 CO 0.02 -0.41 1.08 -0.51 0.95 0.00 0.00 175.26 176.38 3k17 s ASP 47 N -2.81 6.02 0.35 0.83 1.01 -1.26 -0.07 116.67 120.73 3k17 s ASP 47 Ca 0.03 2.04 -0.06 0.00 0.71 0.00 0.00 52.55 55.27 3k17 s ASP 47 Cb 0.02 -2.57 0.01 0.00 1.01 0.00 0.00 42.92 41.39 3k17 s ASP 47 CO -0.12 -1.01 0.54 -0.94 0.21 0.00 0.00 175.17 173.85 3k17 s SER 48 N -1.92 0.67 0.11 0.27 1.04 -0.93 -4.65 113.70 108.29 3k17 s SER 48 Ca 0.70 -1.38 0.00 0.00 0.48 0.00 0.00 55.95 55.75 3k17 s SER 48 Cb -0.20 0.70 -0.20 0.00 0.10 0.00 0.00 66.02 66.41 3k17 s SER 48 CO 0.24 -1.37 1.23 -0.33 0.98 0.00 0.00 173.24 173.99 3k17 h GLU 49 N 2.10 0.18 -4.10 4.02 4.39 -1.96 -3.41 114.58 115.79 3k17 h GLU 49 Ca -0.29 -0.28 -0.14 0.00 0.34 0.00 0.00 59.36 58.99 3k17 h GLU 49 Cb 1.24 0.10 -0.17 0.00 -0.10 0.00 0.00 28.75 29.82 3k17 h GLU 49 CO 0.39 1.10 -0.67 1.03 -1.16 0.00 0.00 179.01 179.70 3k17 s ARG 50 N -2.80 0.50 0.47 2.33 0.52 -1.26 -4.83 118.95 113.88 3k17 s ARG 50 Ca -0.02 -0.95 -0.24 0.00 -0.52 0.00 0.00 55.73 53.99 3k17 s ARG 50 Cb 0.09 0.18 -0.07 0.00 0.52 0.00 0.00 34.95 35.66 3k17 s ARG 50 CO 0.85 -0.09 1.40 -0.80 0.02 0.00 0.00 175.30 176.69 3k17 s ASN 51 N -2.31 5.75 -0.16 0.23 0.01 -1.26 -4.34 114.94 112.86 3k17 s ASN 51 Ca -0.03 2.87 -0.08 0.00 -0.71 0.00 0.00 52.86 54.92 3k17 s ASN 51 Cb 0.01 -2.65 0.06 0.00 0.41 0.00 0.00 41.25 39.08 3k17 s ASN 51 CO -0.06 -1.25 0.37 -0.70 -1.51 0.00 0.00 177.10 173.95 3k17 s GLU 52 N -2.55 0.33 -0.08 -0.60 2.12 -0.35 -4.23 118.70 113.34 3k17 s GLU 52 Ca 0.63 0.78 0.02 0.00 0.36 0.00 0.00 54.97 56.77 3k17 s GLU 52 Cb -0.43 0.02 0.01 0.00 0.26 0.00 0.00 34.13 33.99 3k17 s GLU 52 CO 0.54 -0.18 -0.14 -1.17 -0.54 0.00 0.00 175.26 173.76 3k17 s LEU 53 N 1.65 1.72 -0.07 2.70 2.96 -0.78 -4.24 118.68 122.63 3k17 s LEU 53 Ca -0.07 -0.36 0.04 0.00 -0.22 0.00 0.00 54.13 53.52 3k17 s LEU 53 Cb -0.10 -0.95 0.00 0.00 0.50 0.00 0.00 46.19 45.64 3k17 s LEU 53 CO -0.12 0.05 -0.20 0.26 -1.32 0.00 0.00 176.35 175.03 3k17 s TRP 54 N 0.66 2.08 0.15 5.38 0.52 -1.26 -1.91 118.94 124.55 3k17 s TRP 54 Ca -0.14 -0.74 0.06 0.00 0.02 0.00 0.00 56.10 55.30 3k17 s TRP 54 Cb -0.16 -1.41 -0.04 0.00 -1.15 0.00 0.00 33.47 30.71 3k17 s TRP 54 CO 0.04 -0.29 -0.12 0.96 0.02 0.00 0.00 176.95 177.56 3k17 s ILE 55 N 0.25 1.33 0.29 2.03 -4.36 -1.26 -1.10 121.20 118.38 3k17 s ILE 55 Ca -0.12 -1.96 0.04 0.00 -0.26 0.00 0.00 60.65 58.35 3k17 s ILE 55 Cb -0.15 -1.76 0.28 0.00 1.25 0.00 0.00 42.46 42.08 3k17 s ILE 55 CO 0.05 -0.60 1.77 -0.65 0.24 0.00 0.00 174.94 175.75 3k17 h PRO 56 N 3.02 0.68 -0.35 0.37 0.11 -1.95 -2.63 132.00 131.24 3k17 h PRO 56 Ca -0.38 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.67 3k17 h PRO 56 Cb 1.20 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 3k17 h PRO 56 CO 0.58 0.45 0.12 1.25 -0.21 0.00 0.00 178.00 180.20 3k17 h HIS 57 N 0.70 0.49 -3.32 0.65 2.76 -1.95 -3.43 115.15 111.06 3k17 h HIS 57 Ca 0.54 -0.02 -0.66 0.00 -2.20 0.00 0.00 60.37 58.04 3k17 h HIS 57 Cb 0.83 -0.16 -0.13 0.00 1.55 0.00 0.00 27.41 29.51 3k17 h HIS 57 CO -0.04 0.41 -0.64 0.71 -1.30 0.00 0.00 177.93 177.07 3k17 s TYR 58 N -5.21 3.09 0.16 5.26 2.02 -0.99 -5.01 117.35 116.66 3k17 s TYR 58 Ca -0.08 0.07 0.05 0.00 -0.37 0.00 0.00 57.07 56.75 3k17 s TYR 58 Cb 0.16 -1.65 -0.06 0.00 -0.40 0.00 0.00 41.96 40.01 3k17 s TYR 58 CO 0.74 0.48 1.35 1.49 -1.57 0.00 0.00 175.55 178.05 3k17 h GLU 59 N 4.06 0.07 -6.55 -0.62 4.81 -1.84 -3.41 114.58 111.11 3k17 h GLU 59 Ca -0.48 -0.09 -0.65 0.00 -0.13 0.00 0.00 59.36 58.00 3k17 h GLU 59 Cb 1.17 0.03 -0.16 0.00 0.63 0.00 0.00 28.75 30.43 3k17 h GLU 59 CO 0.59 0.94 -0.74 -0.80 -0.73 0.00 0.00 179.01 178.26 3k17 s ASN 60 N -6.83 4.25 0.82 1.04 -0.87 -1.26 -5.05 114.94 107.04 3k17 s ASN 60 Ca -0.01 -0.49 -0.12 0.00 -1.57 0.00 0.00 52.86 50.67 3k17 s ASN 60 Cb 0.10 -0.74 0.10 0.00 -0.02 0.00 0.00 41.25 40.69 3k17 s ASN 60 CO 0.82 0.15 1.18 -2.16 -2.57 0.00 0.00 177.10 174.52 3k17 s PRO 61 N -2.43 1.79 0.21 -0.60 0.04 -1.26 -4.83 135.00 127.92 3k17 s PRO 61 Ca 0.22 -0.01 0.10 0.00 0.04 0.00 0.00 61.00 61.34 3k17 s PRO 61 Cb -0.10 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 3k17 s PRO 61 CO 0.14 -1.68 -0.19 0.14 0.04 0.00 0.00 177.00 175.45 3k17 s VAL 62 N -3.59 2.08 0.29 -0.36 -7.23 -0.80 -4.93 120.40 105.86 3k17 s VAL 62 Ca 0.64 -2.13 0.04 0.00 -1.81 0.00 0.00 61.98 58.71 3k17 s VAL 62 Cb -0.10 -2.06 -0.06 0.00 0.56 0.00 0.00 36.38 34.72 3k17 s VAL 62 CO 0.49 -0.36 0.03 -0.55 -0.31 0.00 0.00 175.10 174.39 3k17 s SER 63 N -3.03 2.28 0.03 4.85 0.15 -1.26 -1.86 113.70 114.85 3k17 s SER 63 Ca 0.22 -1.31 -0.28 0.00 0.70 0.00 0.00 55.95 55.28 3k17 s SER 63 Cb -0.05 -0.07 0.07 0.00 -1.71 0.00 0.00 66.02 64.27 3k17 s SER 63 CO 0.09 -0.54 0.67 -1.66 1.20 0.00 0.00 173.24 173.00 3k17 s TRP 64 N -3.29 -0.59 0.53 3.44 -2.14 -1.26 -4.90 118.94 110.72 3k17 s TRP 64 Ca 0.34 0.78 -0.21 0.00 2.66 0.00 0.00 56.10 59.66 3k17 s TRP 64 Cb 0.07 0.47 -0.07 0.00 -3.10 0.00 0.00 33.47 30.85 3k17 s TRP 64 CO 0.13 -0.69 1.13 -0.35 -2.66 0.00 0.00 176.95 174.52 3k17 n PRO 65 N 0.38 1.36 -1.76 3.25 -0.04 -1.26 -4.25 135.00 132.67 3k17 n PRO 65 Ca -0.18 0.50 -0.42 0.00 -0.04 0.00 0.00 63.50 63.37 3k17 n PRO 65 Cb 0.60 -2.29 -0.03 0.00 -0.04 0.00 0.00 33.50 31.74 3k17 n PRO 65 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3k17 s ILE 66 N -1.36 2.55 0.00 0.52 1.01 -1.26 -0.60 121.20 122.06 3k17 s ILE 66 Ca 0.70 0.13 0.00 0.00 0.00 0.00 0.00 60.65 61.48 3k17 s ILE 66 Cb -0.46 -3.08 0.00 0.00 0.01 0.00 0.00 42.46 38.93 3k17 s ILE 66 CO 0.51 0.00 0.00 0.61 0.00 0.00 0.00 174.94 176.06 3k17 n GLY 67 N 4.14 0.46 0.00 6.18 0.00 -1.26 -4.97 105.19 109.74 3k17 n GLY 67 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3k17 n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k17 n GLY 68 N -1.74 1.85 3.84 -0.02 0.00 0.23 -5.03 105.19 104.32 3k17 n GLY 68 Ca 0.00 -2.11 -0.36 0.00 0.00 0.00 0.00 46.02 43.55 3k17 n GLY 68 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3k17 s GLU 69 N -1.76 4.02 -0.30 1.61 2.12 -1.26 -4.83 118.70 118.29 3k17 s GLU 69 Ca 0.00 0.53 -0.08 0.00 0.36 0.00 0.00 54.97 55.78 3k17 s GLU 69 Cb 0.00 -3.03 0.00 0.00 0.26 0.00 0.00 34.13 31.37 3k17 s GLU 69 CO 0.00 0.54 0.11 -1.17 -0.54 0.00 0.00 175.26 174.20 3k17 s LEU 70 N -1.69 3.96 -0.39 2.70 2.96 -1.26 -4.48 118.68 120.48 3k17 s LEU 70 Ca 0.34 -0.65 0.09 0.00 -0.22 0.00 0.00 54.13 53.70 3k17 s LEU 70 Cb -0.16 -1.93 0.28 0.00 0.50 0.00 0.00 46.19 44.88 3k17 s LEU 70 CO 0.19 -0.20 0.59 2.29 -1.32 0.00 0.00 176.35 177.90 3k17 n LYS 71 N 4.91 0.79 -1.09 1.98 2.85 -1.26 -4.83 118.16 121.50 3k17 n LYS 71 Ca -0.14 -3.24 -0.30 0.00 -1.05 0.00 0.00 58.31 53.58 3k17 n LYS 71 Cb 0.48 -1.35 0.16 0.00 -0.65 0.00 0.00 35.03 33.67 3k17 n LYS 71 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 3k17 s PRO 72 N -1.50 0.90 0.05 -1.58 0.04 -1.26 -4.99 135.00 126.66 3k17 s PRO 72 Ca 0.36 0.84 -0.05 0.00 0.04 0.00 0.00 61.00 62.20 3k17 s PRO 72 Cb 0.22 -1.77 -0.29 0.00 0.04 0.00 0.00 34.50 32.71 3k17 s PRO 72 CO -0.10 -2.49 1.04 -0.44 0.04 0.00 0.00 177.00 175.05 3k17 h ASP 73 N -1.73 0.44 -2.80 6.66 3.32 -2.02 -3.47 116.42 116.81 3k17 h ASP 73 Ca -0.51 -0.50 -0.56 0.00 0.02 0.00 0.00 57.03 55.48 3k17 h ASP 73 Cb 1.29 -0.14 0.08 0.00 0.22 0.00 0.00 39.33 40.78 3k17 h ASP 73 CO 0.53 1.40 0.78 0.61 -1.72 0.00 0.00 179.24 180.85 3k17 n GLY 74 N 1.58 1.11 0.24 2.75 0.00 -1.26 -4.90 105.19 104.72 3k17 n GLY 74 Ca -0.11 0.53 0.04 0.00 0.00 0.00 0.00 46.02 46.47 3k17 n GLY 74 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3k17 h GLU 75 N 4.99 0.17 0.00 1.61 4.81 -2.04 -2.81 114.58 121.31 3k17 h GLU 75 Ca -0.45 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 3k17 h GLU 75 Cb 1.25 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.60 3k17 h GLU 75 CO 0.81 0.28 0.00 0.72 -0.73 0.00 0.00 179.01 180.09 3k17 n HIS 76 N -4.34 0.00 0.17 0.92 8.25 -1.26 -3.02 115.22 115.94 3k17 n HIS 76 Ca -0.01 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.56 3k17 n HIS 76 Cb 0.22 -0.03 0.03 0.00 1.12 0.00 0.00 29.99 31.33 3k17 n HIS 76 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 3k17 h TRP 77 N 0.00 0.00 -0.67 4.41 4.06 -1.88 -3.42 115.95 118.44 3k17 h TRP 77 Ca 0.00 0.00 0.10 0.00 2.06 0.00 0.00 58.89 61.05 3k17 h TRP 77 Cb 0.03 0.00 -0.12 0.00 -1.00 0.00 0.00 29.16 28.07 3k17 h TRP 77 CO 0.00 0.00 -0.40 1.15 -3.56 0.00 0.00 178.44 175.63 3k17 h THR 78 N 0.00 0.09 -0.15 1.49 2.02 -1.70 0.13 112.91 114.80 3k17 h THR 78 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 3k17 h THR 78 Cb 0.97 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 3k17 h THR 78 CO 0.00 0.00 0.05 -0.26 0.37 0.00 0.00 175.52 175.68 3k17 h PHE 79 N -0.16 0.09 -0.10 3.16 0.04 -1.85 -0.80 116.94 117.32 3k17 h PHE 79 Ca 0.23 0.01 -0.16 0.00 2.80 0.00 0.00 57.97 60.85 3k17 h PHE 79 Cb 0.56 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.68 3k17 h PHE 79 CO -0.73 0.05 -0.62 1.79 -0.60 0.00 0.00 178.31 178.20 3k17 h THR 80 N 0.12 1.37 -0.63 -1.55 1.35 -1.79 -2.46 112.91 109.32 3k17 h THR 80 Ca 0.06 -1.96 -0.08 0.00 -0.55 0.00 0.00 66.41 63.88 3k17 h THR 80 Cb 0.04 1.96 -0.02 0.00 -1.73 0.00 0.00 68.15 68.39 3k17 h THR 80 CO -0.06 0.59 0.08 0.00 -0.25 0.00 0.00 175.52 175.88 3k17 h ALA 81 N 1.08 0.83 -0.63 6.62 0.00 -0.59 -1.24 119.26 125.33 3k17 h ALA 81 Ca -0.01 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 3k17 h ALA 81 Cb 1.14 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 3k17 h ALA 81 CO 0.10 0.61 0.17 1.49 0.00 0.00 0.00 179.25 181.62 3k17 h GLU 82 N 0.96 1.01 -0.77 0.00 4.57 -1.05 -0.07 114.58 119.23 3k17 h GLU 82 Ca 0.19 -0.23 -0.04 0.00 -1.18 0.00 0.00 59.36 58.09 3k17 h GLU 82 Cb 0.46 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.88 3k17 h GLU 82 CO 0.02 0.90 0.32 0.00 -1.18 0.00 0.00 179.01 179.07 3k17 h ALA 83 N 1.06 1.00 -0.57 2.92 0.00 -1.19 -0.31 119.26 122.17 3k17 h ALA 83 Ca 0.20 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3k17 h ALA 83 Cb 0.34 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3k17 h ALA 83 CO -0.00 0.62 0.03 0.82 0.00 0.00 0.00 179.25 180.72 3k17 h ILE 84 N 1.12 1.26 -0.24 0.00 2.04 -0.89 -1.13 117.51 119.66 3k17 h ILE 84 Ca 0.26 -1.09 -0.05 0.00 1.00 0.00 0.00 64.86 64.98 3k17 h ILE 84 Cb 0.20 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 3k17 h ILE 84 CO -0.02 0.39 -0.03 0.78 0.00 0.00 0.00 178.15 179.28 3k17 h ASN 85 N 0.88 0.44 -0.15 1.72 -0.26 -0.64 -0.57 115.58 117.01 3k17 h ASN 85 Ca 0.17 -0.34 -0.12 0.00 -0.56 0.00 0.00 56.30 55.45 3k17 h ASN 85 Cb 0.51 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.64 3k17 h ASN 85 CO 0.02 0.67 -0.29 -0.29 -1.06 0.00 0.00 177.43 176.48 3k17 h ILE 86 N 0.21 1.28 -0.61 2.81 2.10 -1.04 -1.02 117.51 121.23 3k17 h ILE 86 Ca 0.07 -1.40 -0.09 0.00 1.08 0.00 0.00 64.86 64.51 3k17 h ILE 86 Cb 0.46 1.36 -0.02 0.00 -1.09 0.00 0.00 36.82 37.53 3k17 h ILE 86 CO 0.02 0.45 0.02 0.00 -1.08 0.00 0.00 178.15 177.56 3k17 h ALA 87 N 1.13 0.82 -0.42 0.18 0.00 -1.10 -0.73 119.26 119.14 3k17 h ALA 87 Ca 0.07 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3k17 h ALA 87 Cb 0.78 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3k17 h ALA 87 CO 0.06 0.65 0.21 1.15 0.00 0.00 0.00 179.25 181.32 3k17 h THR 88 N 0.97 1.18 -0.43 0.00 2.02 -0.84 0.60 112.91 116.40 3k17 h THR 88 Ca 0.18 -0.49 -0.07 0.00 0.77 0.00 0.00 66.41 66.79 3k17 h THR 88 Cb 0.53 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 3k17 h THR 88 CO 0.03 0.19 -0.03 0.74 0.37 0.00 0.00 175.52 176.81 3k17 h THR 89 N 0.55 1.24 -0.17 3.16 2.02 -0.98 -1.83 112.91 116.90 3k17 h THR 89 Ca 0.15 -1.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.28 3k17 h THR 89 Cb 0.11 0.95 -0.00 0.00 -1.74 0.00 0.00 68.15 67.46 3k17 h THR 89 CO -0.02 0.35 -0.06 0.15 0.37 0.00 0.00 175.52 176.31 3k17 h PHE 90 N 0.66 0.39 -0.77 3.16 3.57 -0.70 -2.53 116.94 120.73 3k17 h PHE 90 Ca 0.13 -0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 3k17 h PHE 90 Cb 0.46 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 3k17 h PHE 90 CO 0.02 0.63 0.47 -0.07 -2.23 0.00 0.00 178.31 177.14 3k17 h LEU 91 N 0.04 0.91 -0.99 0.59 3.38 -0.73 -1.72 115.31 116.77 3k17 h LEU 91 Ca 0.04 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3k17 h LEU 91 Cb 0.52 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3k17 h LEU 91 CO 0.02 0.69 -0.39 0.11 0.09 0.00 0.00 178.44 178.96 3k17 h LYS 92 N 1.05 0.23 0.00 1.13 1.57 -1.29 0.12 116.57 119.38 3k17 h LYS 92 Ca 0.28 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.90 3k17 h LYS 92 Cb -0.06 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 3k17 h LYS 92 CO -0.05 0.59 -0.25 0.66 -0.57 0.00 0.00 179.45 179.82 3k17 h SER 93 N 0.19 0.00 -0.15 0.86 4.64 -0.88 -1.30 113.55 116.91 3k17 h SER 93 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3k17 h SER 93 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3k17 h SER 93 CO 0.06 0.25 0.00 -0.62 -0.87 0.00 0.00 176.83 175.65 3k17 n GLU 94 N -3.73 1.77 -1.61 4.77 -0.58 -0.88 -4.92 120.64 115.47 3k17 n GLU 94 Ca -0.01 -1.15 -0.07 0.00 -0.42 0.00 0.00 57.16 55.50 3k17 n GLU 94 Cb 0.36 -1.42 -0.02 0.00 -0.57 0.00 0.00 31.44 29.79 3k17 n GLU 94 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3k17 n GLY 95 N 1.16 0.55 3.76 0.62 0.00 -0.49 -5.01 105.19 105.78 3k17 n GLY 95 Ca 0.17 -0.68 -0.38 0.00 0.00 0.00 0.00 46.02 45.13 3k17 n GLY 95 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k17 s ILE 96 N -2.29 5.02 -0.21 -0.61 -1.09 0.35 -5.00 121.20 117.36 3k17 s ILE 96 Ca 0.00 1.08 -0.20 0.00 -2.23 0.00 0.00 60.65 59.30 3k17 s ILE 96 Cb 0.00 -3.86 -0.03 0.00 -1.58 0.00 0.00 42.46 37.00 3k17 s ILE 96 CO 0.00 0.42 0.59 -0.70 -1.23 0.00 0.00 174.94 174.02 3k17 s GLU 97 N -0.09 4.19 0.25 2.79 2.12 -1.26 -4.19 118.70 122.50 3k17 s GLU 97 Ca 0.28 0.53 -0.30 0.00 0.36 0.00 0.00 54.97 55.85 3k17 s GLU 97 Cb -0.17 -3.58 -0.09 0.00 0.26 0.00 0.00 34.13 30.55 3k17 s GLU 97 CO 0.14 -0.24 1.00 -0.51 -0.54 0.00 0.00 175.26 175.12 3k17 s LEU 98 N 1.91 4.60 0.15 2.70 1.43 -1.26 -5.05 118.68 123.16 3k17 s LEU 98 Ca 0.27 2.06 0.10 0.00 -1.03 0.00 0.00 54.13 55.53 3k17 s LEU 98 Cb -0.16 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.41 3k17 s LEU 98 CO 0.10 0.03 -0.22 0.42 0.23 0.00 0.00 176.35 176.90 3k17 s THR 99 N -1.08 2.00 0.20 5.49 -4.23 -1.26 -4.58 115.64 112.17 3k17 s THR 99 Ca 0.43 -1.80 -0.33 0.00 -1.18 0.00 0.00 61.69 58.81 3k17 s THR 99 Cb -0.28 -1.86 -0.13 0.00 1.34 0.00 0.00 72.50 71.57 3k17 s THR 99 CO 0.35 -0.11 1.65 -0.81 -0.54 0.00 0.00 174.62 175.16 3k17 n PRO 100 N 0.65 2.51 -4.02 3.99 -0.04 -1.26 -4.95 135.00 131.87 3k17 n PRO 100 Ca -0.16 0.90 -0.10 0.00 -0.04 0.00 0.00 63.50 64.11 3k17 n PRO 100 Cb 0.55 -2.71 -0.11 0.00 -0.04 0.00 0.00 33.50 31.19 3k17 n PRO 100 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3k17 s VAL 101 N 0.94 0.26 0.52 0.52 -7.23 -1.26 -2.18 120.40 111.97 3k17 s VAL 101 Ca 0.75 -1.10 0.06 0.00 -1.81 0.00 0.00 61.98 59.88 3k17 s VAL 101 Cb -0.58 -0.56 0.03 0.00 0.56 0.00 0.00 36.38 35.84 3k17 s VAL 101 CO 0.36 -0.54 0.44 -0.75 -0.31 0.00 0.00 175.10 174.30 3k17 s LYS 102 N -1.88 2.31 0.00 4.82 2.20 0.90 -1.21 119.74 126.87 3k17 s LYS 102 Ca -0.11 -1.88 0.00 0.00 -0.36 0.00 0.00 55.97 53.62 3k17 s LYS 102 Cb -0.07 -2.21 0.00 0.00 -1.51 0.00 0.00 37.83 34.03 3k17 s LYS 102 CO -0.02 -0.56 0.00 0.28 -0.36 0.00 0.00 175.35 174.69 3k17 n VAL 104 N -1.77 0.00 -3.99 4.02 0.31 -0.24 -1.41 118.33 115.25 3k17 n VAL 104 Ca 0.02 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 64.00 3k17 n VAL 104 Cb 0.63 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.47 3k17 n VAL 104 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3k17 s ILE 105 N 0.00 4.77 0.28 2.52 1.01 -0.25 -1.00 121.20 128.52 3k17 s ILE 105 Ca 0.00 -0.04 0.11 0.00 0.00 0.00 0.00 60.65 60.72 3k17 s ILE 105 Cb 0.00 -3.15 -0.05 0.00 0.01 0.00 0.00 42.46 39.26 3k17 s ILE 105 CO 0.00 0.45 -0.18 -1.61 0.00 0.00 0.00 174.94 173.60 3k17 s GLU 106 N 0.47 1.65 0.03 2.79 2.02 0.36 -3.52 118.70 122.50 3k17 s GLU 106 Ca 0.03 -1.77 0.01 0.00 0.02 0.00 0.00 54.97 53.26 3k17 s GLU 106 Cb -0.13 -1.67 -0.02 0.00 0.10 0.00 0.00 34.13 32.41 3k17 s GLU 106 CO 0.01 0.28 -0.05 -0.08 0.02 0.00 0.00 175.26 175.44 3k17 s THR 107 N -2.59 0.29 0.00 3.63 -1.32 -1.26 -0.73 115.64 113.66 3k17 s THR 107 Ca 0.29 -1.11 0.00 0.00 -1.21 0.00 0.00 61.69 59.67 3k17 s THR 107 Cb -0.03 -0.57 0.00 0.00 -1.51 0.00 0.00 72.50 70.38 3k17 s THR 107 CO 0.14 -0.53 0.82 -0.62 -2.21 0.00 0.00 174.62 172.22 3k17 n GLU 108 N 1.32 1.91 -0.29 7.08 1.02 -0.21 -4.72 120.64 126.76 3k17 n GLU 108 Ca -0.22 -1.14 0.03 0.00 -0.02 0.00 0.00 57.16 55.81 3k17 n GLU 108 Cb 0.56 -0.85 0.15 0.00 -0.02 0.00 0.00 31.44 31.28 3k17 n GLU 108 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3k17 n LEU 109 N -0.33 2.45 -4.29 -4.62 4.77 -1.26 -4.69 117.00 109.03 3k17 n LEU 109 Ca 0.00 -1.23 -0.21 0.00 -0.03 0.00 0.00 56.01 54.53 3k17 n LEU 109 Cb 0.31 -0.44 -0.12 0.00 -2.33 0.00 0.00 43.42 40.83 3k17 n LEU 109 CO 0.00 0.40 -0.48 0.27 -1.33 0.00 0.00 177.39 176.25 3k17 s ILE 110 N -1.67 1.64 0.78 -0.08 -4.36 -1.26 -1.77 121.20 114.48 3k17 s ILE 110 Ca 0.21 -1.73 -0.12 0.00 -0.26 0.00 0.00 60.65 58.76 3k17 s ILE 110 Cb 0.14 -1.64 0.06 0.00 1.25 0.00 0.00 42.46 42.27 3k17 s ILE 110 CO 0.09 -0.25 1.11 -0.62 0.24 0.00 0.00 174.94 175.50 3k17 s ASP 111 N -2.34 4.68 0.42 4.36 2.15 0.97 -4.89 116.67 122.02 3k17 s ASP 111 Ca 0.10 1.17 0.15 0.00 0.43 0.00 0.00 52.55 54.40 3k17 s ASP 111 Cb -0.07 -1.88 1.02 0.00 -0.30 0.00 0.00 42.92 41.68 3k17 s ASP 111 CO 0.05 -1.83 1.92 1.56 -0.17 0.00 0.00 175.17 176.69 3k17 h GLN 112 N -1.00 0.44 0.00 4.34 7.50 -2.00 0.12 115.11 124.51 3k17 h GLN 112 Ca -0.47 -0.03 0.00 0.00 0.50 0.00 0.00 58.65 58.66 3k17 h GLN 112 Cb 1.28 -0.10 0.00 0.00 0.05 0.00 0.00 27.48 28.71 3k17 h GLN 112 CO 0.62 0.29 0.00 -1.13 -1.50 0.00 0.00 178.83 177.11 3k17 n SER 113 N -4.49 0.22 0.00 1.46 3.41 -1.26 -4.89 113.62 108.07 3k17 n SER 113 Ca 0.14 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.30 3k17 n SER 113 Cb 0.51 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 3k17 n SER 113 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k17 n GLY 114 N 0.51 0.23 3.75 5.00 0.00 0.41 -5.07 105.19 110.03 3k17 n GLY 114 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 3k17 n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k17 s ALA 115 N -2.00 3.36 0.34 4.61 0.00 -1.26 -4.73 121.76 122.08 3k17 s ALA 115 Ca 0.00 0.57 -0.28 0.00 0.00 0.00 0.00 51.96 52.26 3k17 s ALA 115 Cb 0.00 -3.17 -0.10 0.00 0.00 0.00 0.00 23.12 19.86 3k17 s ALA 115 CO 0.00 0.22 1.22 0.15 0.00 0.00 0.00 175.76 177.35 3k17 s LYS 116 N -1.15 4.33 0.42 0.00 1.02 -1.26 -0.02 119.74 123.08 3k17 s LYS 116 Ca 0.40 2.02 0.27 0.00 0.02 0.00 0.00 55.97 58.67 3k17 s LYS 116 Cb -0.25 -2.98 0.77 0.00 -0.52 0.00 0.00 37.83 34.84 3k17 s LYS 116 CO 0.31 -0.14 1.75 1.88 -0.92 0.00 0.00 175.35 178.23 3k17 h TYR 117 N 3.26 0.00 -0.61 3.18 0.05 -1.69 -3.46 116.97 117.70 3k17 h TYR 117 Ca -0.48 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.30 3k17 h TYR 117 Cb 1.23 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.97 3k17 h TYR 117 CO 0.56 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 178.08 3k17 n GLY 118 N 0.72 0.91 1.62 3.88 0.00 -1.26 -3.87 105.19 107.19 3k17 n GLY 118 Ca 0.03 -0.35 0.04 0.00 0.00 0.00 0.00 46.02 45.75 3k17 n GLY 118 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3k17 n LEU 119 N -0.30 5.28 -0.46 0.99 4.77 -1.26 -4.78 117.00 121.23 3k17 n LEU 119 Ca 0.00 -3.05 0.00 0.00 -0.03 0.00 0.00 56.01 52.93 3k17 n LEU 119 Cb 0.27 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 3k17 n LEU 119 CO 0.00 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 3k17 n GLY 120 N 0.09 0.90 0.25 -0.72 0.00 -1.26 0.13 105.19 104.58 3k17 n GLY 120 Ca 0.29 -0.53 0.02 0.00 0.00 0.00 0.00 46.02 45.80 3k17 n GLY 120 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3k17 h SER 121 N 0.00 -0.22 -0.50 1.61 0.02 -1.93 0.17 113.55 112.70 3k17 h SER 121 Ca 0.00 0.16 -0.09 0.00 -0.84 0.00 0.00 61.79 61.02 3k17 h SER 121 Cb 0.81 0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.60 3k17 h SER 121 CO 0.00 -0.11 -0.03 0.77 -1.14 0.00 0.00 176.83 176.32 3k17 h SER 122 N 0.15 0.90 -0.22 3.07 4.64 -2.00 -2.03 113.55 118.07 3k17 h SER 122 Ca 0.35 -0.32 -0.03 0.00 -0.47 0.00 0.00 61.79 61.32 3k17 h SER 122 Cb 0.58 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 3k17 h SER 122 CO -0.54 1.01 0.01 0.00 -0.87 0.00 0.00 176.83 176.44 3k17 h ALA 123 N 0.92 0.29 -1.00 5.18 0.00 -1.77 -1.91 119.26 120.97 3k17 h ALA 123 Ca 0.14 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.87 3k17 h ALA 123 Cb 0.57 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 3k17 h ALA 123 CO 0.03 -0.01 0.66 0.00 0.00 0.00 0.00 179.25 179.94 3k17 h ALA 124 N 0.81 1.29 -0.31 0.00 0.00 -0.92 0.27 119.26 120.40 3k17 h ALA 124 Ca 0.06 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3k17 h ALA 124 Cb 0.37 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3k17 h ALA 124 CO 0.01 0.63 -0.02 0.00 0.00 0.00 0.00 179.25 179.87 3k17 h ALA 125 N 1.38 0.42 -0.20 0.00 0.00 -1.30 -0.58 119.26 118.99 3k17 h ALA 125 Ca 0.38 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 55.06 3k17 h ALA 125 Cb -0.12 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3k17 h ALA 125 CO -0.09 0.19 0.03 1.15 0.00 0.00 0.00 179.25 180.53 3k17 h THR 126 N 0.35 0.90 -0.42 0.00 2.02 -0.77 -1.66 112.91 113.33 3k17 h THR 126 Ca 0.08 -0.04 -0.04 0.00 0.77 0.00 0.00 66.41 67.19 3k17 h THR 126 Cb 0.48 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 3k17 h THR 126 CO 0.02 0.02 0.11 0.58 0.37 0.00 0.00 175.52 176.62 3k17 h VAL 127 N 0.11 1.19 -0.47 3.16 2.07 -0.84 -1.79 116.25 119.66 3k17 h VAL 127 Ca 0.09 -0.65 -0.05 0.00 0.82 0.00 0.00 66.70 66.90 3k17 h VAL 127 Cb 0.09 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 3k17 h VAL 127 CO -0.12 0.24 0.08 0.00 0.02 0.00 0.00 177.57 177.79 3k17 h ALA 128 N 1.51 0.63 -0.13 1.67 0.00 -0.60 -0.58 119.26 121.76 3k17 h ALA 128 Ca 0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3k17 h ALA 128 Cb 0.22 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3k17 h ALA 128 CO -0.00 0.35 0.04 0.28 0.00 0.00 0.00 179.25 179.92 3k17 h VAL 129 N 0.65 1.17 -0.20 0.00 2.07 -0.94 0.25 116.25 119.25 3k17 h VAL 129 Ca 0.14 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.13 3k17 h VAL 129 Cb 0.38 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 3k17 h VAL 129 CO 0.01 0.16 0.13 0.40 0.02 0.00 0.00 177.57 178.28 3k17 h ILE 130 N 0.04 1.07 -0.65 4.57 1.08 -1.24 -1.05 117.51 121.33 3k17 h ILE 130 Ca 0.04 -0.15 -0.02 0.00 -0.39 0.00 0.00 64.86 64.34 3k17 h ILE 130 Cb 0.21 0.81 -0.03 0.00 -3.07 0.00 0.00 36.82 34.74 3k17 h ILE 130 CO -0.00 0.06 0.32 0.78 -0.69 0.00 0.00 178.15 178.63 3k17 h ASN 131 N 0.26 0.84 -0.53 1.72 2.35 -1.04 -3.03 115.58 116.14 3k17 h ASN 131 Ca 0.07 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 3k17 h ASN 131 Cb -0.00 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 3k17 h ASN 131 CO -0.01 0.72 0.23 0.00 -1.65 0.00 0.00 177.43 176.72 3k17 h ALA 132 N 1.15 0.68 0.00 -0.83 0.00 -0.66 -0.58 119.26 119.02 3k17 h ALA 132 Ca 0.22 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3k17 h ALA 132 Cb 0.10 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3k17 h ALA 132 CO -0.03 0.27 0.00 1.28 0.00 0.00 0.00 179.25 180.77 3k17 n LEU 133 N -4.56 2.09 0.00 0.00 4.77 -0.42 -2.12 117.00 116.76 3k17 n LEU 133 Ca 0.02 -1.04 0.00 0.00 -0.03 0.00 0.00 56.01 54.96 3k17 n LEU 133 Cb 0.14 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 3k17 n LEU 133 CO 0.38 0.36 0.00 0.41 -1.33 0.00 0.00 177.39 177.20 3k17 n THR 135 N 0.55 0.00 0.05 -5.08 -1.04 -0.23 -0.59 114.28 107.94 3k17 n THR 135 Ca 0.00 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.83 3k17 n THR 135 Cb 0.36 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.78 3k17 n THR 135 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 3k17 h LYS 136 N 0.00 0.60 0.00 -2.82 1.63 -1.66 -3.36 116.57 110.96 3k17 h LYS 136 Ca 0.00 -0.64 0.00 0.00 -0.85 0.00 0.00 60.65 59.16 3k17 h LYS 136 Cb 0.00 0.18 0.00 0.00 -0.60 0.00 0.00 32.23 31.81 3k17 h LYS 136 CO 0.00 1.25 -1.13 1.19 -3.45 0.00 0.00 179.45 177.31 3k17 n PHE 137 N -3.82 0.00 -2.78 1.91 3.72 0.24 -4.87 117.46 111.86 3k17 n PHE 137 Ca -0.09 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.21 3k17 n PHE 137 Cb 0.86 -0.11 0.08 0.00 -0.94 0.00 0.00 39.48 39.37 3k17 n PHE 137 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3k17 n TYR 138 N -1.62 -2.56 0.17 1.38 9.36 -1.26 -5.00 117.16 117.64 3k17 n TYR 138 Ca -0.01 -2.31 0.18 0.00 3.32 0.00 0.00 57.90 59.09 3k17 n TYR 138 Cb 0.14 1.42 0.80 0.00 -0.63 0.00 0.00 39.34 41.07 3k17 n TYR 138 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 3k17 h PRO 139 N 3.01 0.00 0.00 2.98 0.13 -1.90 -2.54 132.00 133.67 3k17 h PRO 139 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 3k17 h PRO 139 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3k17 h PRO 139 CO 0.17 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 178.99 3k17 h GLU 140 N 0.00 0.00 -6.46 0.86 9.09 -1.95 -3.46 114.58 112.65 3k17 h GLU 140 Ca 0.12 0.00 -0.60 0.00 0.05 0.00 0.00 59.36 58.93 3k17 h GLU 140 Cb 0.71 0.00 0.14 0.00 -1.65 0.00 0.00 28.75 27.95 3k17 h GLU 140 CO -0.00 0.00 -0.19 1.51 0.05 0.00 0.00 179.01 180.38 3k17 n ILE 141 N -2.90 2.13 0.00 -1.06 3.06 -0.96 -5.18 119.36 114.45 3k17 n ILE 141 Ca 0.02 -0.50 0.00 0.00 -2.50 0.00 0.00 62.75 59.77 3k17 n ILE 141 Cb 0.34 -0.77 0.00 0.00 0.54 0.00 0.00 39.64 39.75 3k17 n ILE 141 CO 0.00 0.00 0.00 -1.54 -2.50 0.00 0.00 176.55 172.51 3k17 n SER 142 N 0.87 0.00 0.00 9.51 3.41 -1.26 -4.95 113.62 121.21 3k17 n SER 142 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 3k17 n SER 142 Cb 0.40 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 3k17 n SER 142 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3k17 n LEU 144 N 0.00 0.00 -0.07 1.04 7.94 -1.26 -2.14 117.00 122.52 3k17 n LEU 144 Ca 0.00 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.81 3k17 n LEU 144 Cb 0.00 0.00 0.07 0.00 0.53 0.00 0.00 43.42 44.02 3k17 n LEU 144 CO 0.00 0.00 0.64 0.11 -1.11 0.00 0.00 177.39 177.03 3k17 h LYS 145 N 0.00 0.74 -0.50 1.96 1.57 -1.99 -2.04 116.57 116.31 3k17 h LYS 145 Ca 0.00 -0.34 -0.07 0.00 -1.87 0.00 0.00 60.65 58.37 3k17 h LYS 145 Cb 0.00 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 3k17 h LYS 145 CO 0.00 0.96 0.02 0.87 -0.57 0.00 0.00 179.45 180.73 3k17 h LYS 146 N 0.63 0.82 -0.61 3.15 1.57 -1.80 -1.58 116.57 118.75 3k17 h LYS 146 Ca 0.07 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 3k17 h LYS 146 Cb 0.84 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.02 3k17 h LYS 146 CO 0.07 0.81 0.34 0.35 -0.57 0.00 0.00 179.45 180.46 3k17 h PHE 147 N 0.77 0.84 -0.71 -1.35 3.57 -1.77 -0.96 116.94 117.33 3k17 h PHE 147 Ca 0.15 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 3k17 h PHE 147 Cb 0.43 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 3k17 h PHE 147 CO 0.02 0.60 0.44 0.87 -2.23 0.00 0.00 178.31 178.01 3k17 h LYS 148 N 0.83 0.96 -0.07 1.11 1.57 -0.79 0.48 116.57 120.67 3k17 h LYS 148 Ca 0.22 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3k17 h LYS 148 Cb 0.03 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.14 3k17 h LYS 148 CO -0.04 0.67 0.03 -0.07 -0.57 0.00 0.00 179.45 179.48 3k17 h LEU 149 N 0.97 0.09 -0.96 2.94 3.38 -0.98 -1.10 115.31 119.65 3k17 h LEU 149 Ca 0.26 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 3k17 h LEU 149 Cb -0.04 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3k17 h LEU 149 CO -0.05 0.22 0.34 0.00 0.09 0.00 0.00 178.44 179.04 3k17 h ALA 150 N 0.87 1.18 -0.24 1.53 0.00 -0.84 -1.60 119.26 120.15 3k17 h ALA 150 Ca 0.02 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 3k17 h ALA 150 Cb 0.16 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3k17 h ALA 150 CO -0.00 0.61 -0.13 0.00 0.00 0.00 0.00 179.25 179.73 3k17 h ALA 151 N 1.30 0.35 -0.41 0.00 0.00 0.08 -1.15 119.26 119.42 3k17 h ALA 151 Ca 0.26 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3k17 h ALA 151 Cb 0.14 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3k17 h ALA 151 CO -0.03 0.22 0.21 -0.07 0.00 0.00 0.00 179.25 179.58 3k17 h LEU 152 N 0.24 0.52 0.32 0.00 3.38 -1.08 -0.64 115.31 118.05 3k17 h LEU 152 Ca 0.05 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3k17 h LEU 152 Cb 0.64 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3k17 h LEU 152 CO 0.04 0.49 -0.30 -1.28 0.09 0.00 0.00 178.44 177.48 3k17 h SER 153 N 0.52 -0.79 -0.54 -0.43 0.87 -1.25 -2.79 113.55 109.14 3k17 h SER 153 Ca 0.14 0.07 -0.06 0.00 -1.23 0.00 0.00 61.79 60.71 3k17 h SER 153 Cb 0.09 0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.29 3k17 h SER 153 CO -0.02 -0.43 0.12 -0.74 -0.53 0.00 0.00 176.83 175.23 3k17 h HIS 154 N -0.64 0.96 -0.38 2.24 -0.00 -1.12 -2.91 115.15 113.30 3k17 h HIS 154 Ca -0.02 -0.11 -0.15 0.00 -0.00 0.00 0.00 60.37 60.10 3k17 h HIS 154 Cb 0.57 -0.27 -0.01 0.00 -0.00 0.00 0.00 27.41 27.70 3k17 h HIS 154 CO -0.17 0.81 -0.34 1.37 -0.00 0.00 0.00 177.93 179.60 3k17 h LEU 155 N 0.88 0.92 -0.88 0.26 8.10 -1.06 0.79 115.31 124.32 3k17 h LEU 155 Ca 0.19 -0.40 -0.08 0.00 0.11 0.00 0.00 57.88 57.70 3k17 h LEU 155 Cb 0.35 -0.26 -0.01 0.00 -0.44 0.00 0.00 40.66 40.30 3k17 h LEU 155 CO 0.00 1.17 -0.37 -0.37 -4.11 0.00 0.00 178.44 174.76 3k17 h VAL 156 N 0.72 0.86 0.03 0.15 -1.51 -1.47 0.20 116.25 115.24 3k17 h VAL 156 Ca 0.07 -1.55 -0.04 0.00 -1.23 0.00 0.00 66.70 63.95 3k17 h VAL 156 Cb 0.91 1.95 0.00 0.00 -2.13 0.00 0.00 31.29 32.03 3k17 h VAL 156 CO 0.08 0.37 -0.19 0.58 -1.23 0.00 0.00 177.57 177.18 3k17 h VAL 157 N 0.00 1.73 -0.37 7.19 2.07 -1.32 -3.32 116.25 122.24 3k17 h VAL 157 Ca -0.00 -2.39 -0.09 0.00 0.82 0.00 0.00 66.70 65.04 3k17 h VAL 157 Cb 0.92 3.35 -0.02 0.00 -1.52 0.00 0.00 31.29 34.03 3k17 h VAL 157 CO 0.05 0.63 -0.12 -0.61 0.02 0.00 0.00 177.57 177.54 3k17 h GLN 158 N -0.86 0.65 0.00 1.57 5.75 -0.87 -3.47 115.11 117.89 3k17 h GLN 158 Ca -0.03 -0.21 0.00 0.00 -0.15 0.00 0.00 58.65 58.26 3k17 h GLN 158 Cb 1.15 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.64 3k17 h GLN 158 CO 0.03 0.76 0.00 0.41 -2.65 0.00 0.00 178.83 177.38 3k17 n GLY 159 N -0.51 0.90 2.91 2.39 0.00 0.71 -4.94 105.19 106.65 3k17 n GLY 159 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.04 3k17 n GLY 159 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3k17 n ASN 160 N 0.00 -1.01 0.00 1.61 0.23 -1.24 -5.03 115.26 109.82 3k17 n ASN 160 Ca 0.00 -1.34 0.00 0.00 -0.53 0.00 0.00 54.58 52.71 3k17 n ASN 160 Cb 0.00 1.60 0.00 0.00 -2.08 0.00 0.00 39.78 39.30 3k17 n ASN 160 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3k17 n GLY 161 N -0.63 2.53 0.09 4.83 0.00 -1.26 -4.79 105.19 105.95 3k17 n GLY 161 Ca 0.02 -1.89 0.12 0.00 0.00 0.00 0.00 46.02 44.27 3k17 n GLY 161 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3k17 h SER 162 N 0.00 0.00 -0.12 1.61 4.64 -1.87 -3.48 113.55 114.34 3k17 h SER 162 Ca 0.00 -0.12 -0.05 0.00 -0.47 0.00 0.00 61.79 61.15 3k17 h SER 162 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 3k17 h SER 162 CO 0.00 0.06 -0.05 0.00 -0.87 0.00 0.00 176.83 175.98 3k17 h GLY 164 N 0.00 0.00 1.07 0.00 0.00 -1.95 -1.58 103.07 100.61 3k17 h GLY 164 Ca -0.05 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.16 3k17 h GLY 164 CO 0.07 0.00 -0.14 1.29 0.00 0.00 0.00 176.54 177.77 3k17 h ASP 165 N 0.00 0.98 -0.62 0.19 2.03 -2.00 -1.43 116.42 115.57 3k17 h ASP 165 Ca -0.00 -0.37 0.01 0.00 -0.73 0.00 0.00 57.03 55.93 3k17 h ASP 165 Cb 0.62 -0.27 -0.03 0.00 -0.83 0.00 0.00 39.33 38.82 3k17 h ASP 165 CO 0.05 1.12 0.41 0.40 -1.03 0.00 0.00 179.24 180.19 3k17 h ILE 166 N 0.82 1.16 -0.19 4.15 1.08 -1.73 -1.88 117.51 120.92 3k17 h ILE 166 Ca 0.12 -0.30 -0.00 0.00 -0.39 0.00 0.00 64.86 64.30 3k17 h ILE 166 Cb 0.70 0.25 -0.01 0.00 -3.07 0.00 0.00 36.82 34.69 3k17 h ILE 166 CO 0.05 0.16 0.12 0.00 -0.69 0.00 0.00 178.15 177.78 3k17 h ALA 167 N 1.23 0.24 -0.51 1.87 0.00 -0.96 -3.04 119.26 118.08 3k17 h ALA 167 Ca 0.23 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3k17 h ALA 167 Cb -0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3k17 h ALA 167 CO -0.05 -0.26 0.27 1.03 0.00 0.00 0.00 179.25 180.24 3k17 h SER 168 N 0.23 0.65 0.00 0.00 0.87 -1.10 0.42 113.55 114.62 3k17 h SER 168 Ca 0.07 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 3k17 h SER 168 Cb 0.01 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 61.80 3k17 h SER 168 CO -0.01 0.57 0.00 0.00 -0.53 0.00 0.00 176.83 176.86 3k17 n TYR 171 N 0.43 0.00 -2.82 0.00 4.02 0.14 -4.40 117.16 114.54 3k17 n TYR 171 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.93 3k17 n TYR 171 Cb 0.08 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.39 3k17 n TYR 171 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3k17 n GLY 172 N 0.00 -1.80 7.00 2.72 0.00 -0.03 -4.81 105.19 108.27 3k17 n GLY 172 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.73 3k17 n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k17 n GLY 173 N -1.08 0.96 3.60 -0.02 0.00 -0.32 -4.65 105.19 103.68 3k17 n GLY 173 Ca 0.00 -0.62 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 3k17 n GLY 173 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3k17 s TRP 174 N 0.00 3.06 0.05 1.61 0.52 -1.26 -1.12 118.94 121.80 3k17 s TRP 174 Ca 0.00 -0.01 -0.02 0.00 0.02 0.00 0.00 56.10 56.09 3k17 s TRP 174 Cb 0.00 -1.84 -0.03 0.00 -1.15 0.00 0.00 33.47 30.45 3k17 s TRP 174 CO 0.00 0.26 -0.00 0.96 0.02 0.00 0.00 176.95 178.18 3k17 s ILE 175 N -0.41 0.19 -0.29 2.03 -4.36 0.06 0.02 121.20 118.44 3k17 s ILE 175 Ca 0.07 -1.59 -0.06 0.00 -0.26 0.00 0.00 60.65 58.81 3k17 s ILE 175 Cb -0.12 -1.29 0.01 0.00 1.25 0.00 0.00 42.46 42.31 3k17 s ILE 175 CO 0.02 -0.88 0.07 0.00 0.24 0.00 0.00 174.94 174.39 3k17 s ALA 176 N -3.49 3.02 -0.19 2.27 0.00 0.12 -1.16 121.76 122.34 3k17 s ALA 176 Ca 0.03 -1.48 -0.06 0.00 0.00 0.00 0.00 51.96 50.45 3k17 s ALA 176 Cb 0.05 -2.11 -0.03 0.00 0.00 0.00 0.00 23.12 21.03 3k17 s ALA 176 CO -0.08 -0.94 0.02 -0.47 0.00 0.00 0.00 175.76 174.28 3k17 s TYR 177 N 1.47 3.11 -0.28 0.00 5.04 0.17 -1.21 117.35 125.65 3k17 s TYR 177 Ca 0.02 -0.24 -0.01 0.00 -2.44 0.00 0.00 57.07 54.40 3k17 s TYR 177 Cb -0.17 -2.07 0.04 0.00 0.35 0.00 0.00 41.96 40.10 3k17 s TYR 177 CO 0.02 -0.08 -0.03 0.99 -1.34 0.00 0.00 175.55 175.11 3k17 s THR 178 N 0.73 2.90 0.16 4.34 2.01 0.50 -0.49 115.64 125.79 3k17 s THR 178 Ca 0.01 -1.23 -0.34 0.00 0.31 0.00 0.00 61.69 60.44 3k17 s THR 178 Cb -0.14 -2.58 -0.14 0.00 0.01 0.00 0.00 72.50 69.64 3k17 s THR 178 CO 0.02 0.03 1.46 0.41 -0.69 0.00 0.00 174.62 175.86 3k17 n THR 179 N 4.63 0.27 -1.11 -0.82 -1.04 -0.37 -2.14 114.28 113.71 3k17 n THR 179 Ca -0.15 -0.07 -0.28 0.00 -2.04 0.00 0.00 64.05 61.51 3k17 n THR 179 Cb 0.45 -1.33 0.19 0.00 -1.82 0.00 0.00 70.33 67.81 3k17 n THR 179 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 3k17 s PHE 180 N 0.53 2.01 -0.74 -1.42 -0.12 -1.26 -0.00 117.98 116.98 3k17 s PHE 180 Ca 0.77 0.98 -0.26 0.00 -0.05 0.00 0.00 56.93 58.37 3k17 s PHE 180 Cb -0.74 -3.26 -0.01 0.00 -0.63 0.00 0.00 43.02 38.38 3k17 s PHE 180 CO 0.43 -3.04 1.76 0.34 -0.05 0.00 0.00 175.22 174.66 3k17 s ASP 181 N -3.38 5.47 0.15 1.98 -1.08 -0.16 -4.21 116.67 115.45 3k17 s ASP 181 Ca 0.66 -0.19 -0.21 0.00 -0.52 0.00 0.00 52.55 52.29 3k17 s ASP 181 Cb -0.19 -2.55 0.03 0.00 -1.46 0.00 0.00 42.92 38.76 3k17 s ASP 181 CO 0.58 -2.32 1.65 1.56 0.52 0.00 0.00 175.17 177.16 3k17 h GLN 182 N 12.84 -0.16 -0.65 4.34 1.08 -1.90 -1.83 115.11 128.82 3k17 h GLN 182 Ca -0.13 0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.04 3k17 h GLN 182 Cb 1.09 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 28.53 3k17 h GLN 182 CO 1.24 -0.11 0.24 1.49 -0.95 0.00 0.00 178.83 180.75 3k17 h GLU 183 N -0.17 0.97 -0.65 1.46 4.81 -1.99 -1.04 114.58 117.96 3k17 h GLU 183 Ca 0.14 -0.17 0.02 0.00 -0.13 0.00 0.00 59.36 59.22 3k17 h GLU 183 Cb 0.38 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 3k17 h GLU 183 CO -0.36 0.80 0.42 2.35 -0.73 0.00 0.00 179.01 181.49 3k17 h TRP 184 N 0.95 0.79 0.19 0.92 7.01 -1.81 -1.91 115.95 122.08 3k17 h TRP 184 Ca 0.22 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.23 3k17 h TRP 184 Cb 0.21 -0.26 0.00 0.00 -2.10 0.00 0.00 29.16 27.01 3k17 h TRP 184 CO 0.02 0.47 -0.09 0.28 -2.79 0.00 0.00 178.44 176.32 3k17 h VAL 185 N 0.83 0.89 -0.74 2.65 2.07 -0.85 -3.12 116.25 117.98 3k17 h VAL 185 Ca 0.25 -0.89 0.07 0.00 0.82 0.00 0.00 66.70 66.96 3k17 h VAL 185 Cb -0.03 1.38 -0.06 0.00 -1.52 0.00 0.00 31.29 31.05 3k17 h VAL 185 CO -0.08 0.19 0.42 0.11 0.02 0.00 0.00 177.57 178.22 3k17 h LYS 186 N -0.74 0.72 -0.52 1.57 1.57 -1.16 -1.72 116.57 116.29 3k17 h LYS 186 Ca -0.03 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 3k17 h LYS 186 Cb 0.50 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 3k17 h LYS 186 CO 0.04 0.48 0.28 0.45 -0.57 0.00 0.00 179.45 180.13 3k17 h HIS 187 N 0.74 0.71 0.00 -1.35 3.86 -1.45 -2.66 115.15 115.01 3k17 h HIS 187 Ca 0.34 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.53 3k17 h HIS 187 Cb 0.26 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.50 3k17 h HIS 187 CO -0.07 0.53 0.00 0.00 0.86 0.00 0.00 177.93 179.25 3k17 h ARG 188 N 0.69 0.00 -0.19 2.45 3.08 -1.36 -3.02 114.38 116.02 3k17 h ARG 188 Ca 0.18 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.28 3k17 h ARG 188 Cb 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 3k17 h ARG 188 CO -0.03 0.00 0.14 -0.07 -1.07 0.00 0.00 179.97 178.94 3k17 h LEU 189 N 0.00 0.04 0.00 3.04 3.38 -0.95 0.22 115.31 121.04 3k17 h LEU 189 Ca 0.00 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3k17 h LEU 189 Cb 0.49 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3k17 h LEU 189 CO 0.00 0.02 -0.28 0.00 0.09 0.00 0.00 178.44 178.27 3k17 h ALA 190 N 1.90 0.83 0.00 1.53 0.00 -1.68 -3.39 119.26 118.46 3k17 h ALA 190 Ca 0.09 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3k17 h ALA 190 Cb 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3k17 h ALA 190 CO -0.01 0.29 0.00 2.48 0.00 0.00 0.00 179.25 182.02 3k17 n TYR 191 N -3.14 0.00 -4.49 0.00 0.18 -0.76 -5.07 117.16 103.89 3k17 n TYR 191 Ca 0.03 -0.03 -0.31 0.00 1.88 0.00 0.00 57.90 59.46 3k17 n TYR 191 Cb 0.63 -0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.47 3k17 n TYR 191 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3k17 s LYS 192 N -0.07 2.24 0.73 -3.48 -0.14 0.71 -5.10 119.74 114.63 3k17 s LYS 192 Ca 0.00 -0.91 -0.11 0.00 -1.36 0.00 0.00 55.97 53.59 3k17 s LYS 192 Cb 0.00 -2.31 0.03 0.00 -1.68 0.00 0.00 37.83 33.87 3k17 s LYS 192 CO 0.00 0.55 1.09 -1.54 -0.76 0.00 0.00 175.35 174.70 3k17 s SER 193 N -1.61 5.16 0.27 2.83 1.04 -1.26 -4.78 113.70 115.35 3k17 s SER 193 Ca 0.17 1.21 -0.01 0.00 0.48 0.00 0.00 55.95 57.80 3k17 s SER 193 Cb -0.11 -2.00 0.36 0.00 0.10 0.00 0.00 66.02 64.38 3k17 s SER 193 CO 0.08 -1.53 1.75 0.25 0.98 0.00 0.00 173.24 174.77 3k17 h LEU 194 N -0.79 0.69 -1.25 2.42 5.85 -1.98 -2.48 115.31 117.77 3k17 h LEU 194 Ca -0.45 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.07 3k17 h LEU 194 Cb 1.25 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 3k17 h LEU 194 CO 0.62 0.80 0.28 -0.08 -0.34 0.00 0.00 178.44 179.72 3k17 h GLU 195 N 0.66 0.80 -0.42 1.25 4.81 -1.95 -1.90 114.58 117.83 3k17 h GLU 195 Ca 0.12 -0.09 -0.12 0.00 -0.13 0.00 0.00 59.36 59.13 3k17 h GLU 195 Cb 0.50 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 3k17 h GLU 195 CO 0.03 0.61 -0.23 2.35 -0.73 0.00 0.00 179.01 181.04 3k17 h TRP 196 N 0.80 0.97 0.00 0.92 7.01 -1.83 -2.83 115.95 120.99 3k17 h TRP 196 Ca 0.20 -0.23 0.00 0.00 2.11 0.00 0.00 58.89 60.97 3k17 h TRP 196 Cb 0.07 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 26.90 3k17 h TRP 196 CO 0.01 1.00 0.00 1.19 -2.79 0.00 0.00 178.44 177.84 3k17 n PHE 197 N -4.11 0.00 0.00 2.65 3.72 -0.72 -1.16 117.46 117.85 3k17 n PHE 197 Ca -0.00 -0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 3k17 n PHE 197 Cb 0.45 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 38.88 3k17 n PHE 197 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3k17 n LYS 199 N 0.77 0.00 -3.03 -1.08 5.02 -1.07 -4.78 118.16 113.99 3k17 n LYS 199 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 3k17 n LYS 199 Cb 0.10 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.06 3k17 n LYS 199 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3k17 s GLU 200 N 0.00 4.41 0.23 1.97 2.56 -0.31 -5.02 118.70 122.54 3k17 s GLU 200 Ca 0.00 0.89 -0.30 0.00 0.00 0.00 0.00 54.97 55.56 3k17 s GLU 200 Cb 0.00 -3.47 -0.09 0.00 2.00 0.00 0.00 34.13 32.57 3k17 s GLU 200 CO 0.00 0.00 1.34 -1.25 -0.56 0.00 0.00 175.26 174.80 3k17 s PRO 201 N 1.01 4.36 -0.21 4.30 0.04 -1.26 -4.96 135.00 138.27 3k17 s PRO 201 Ca 0.37 2.13 -0.24 0.00 0.04 0.00 0.00 61.00 63.30 3k17 s PRO 201 Cb -0.18 -3.16 -0.01 0.00 0.04 0.00 0.00 34.50 31.19 3k17 s PRO 201 CO 0.17 -0.29 0.81 -1.58 0.04 0.00 0.00 177.00 176.16 3k17 s TRP 202 N -0.05 3.35 0.00 0.56 0.52 -1.26 -5.09 118.94 116.97 3k17 s TRP 202 Ca 0.57 1.16 -0.07 0.00 0.02 0.00 0.00 56.10 57.77 3k17 s TRP 202 Cb -0.38 -3.01 -0.08 0.00 -1.15 0.00 0.00 33.47 28.84 3k17 s TRP 202 CO 0.41 -0.32 0.99 -0.35 0.02 0.00 0.00 176.95 177.70 3k17 n PRO 203 N 5.64 0.00 0.00 4.98 -0.04 -1.26 -4.83 135.00 139.49 3k17 n PRO 203 Ca 0.04 -0.53 0.00 0.00 -0.04 0.00 0.00 63.50 62.97 3k17 n PRO 203 Cb 0.48 -1.95 0.00 0.00 -0.04 0.00 0.00 33.50 31.99 3k17 n PRO 203 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3k17 n LEU 205 N 5.54 0.00 -3.68 1.53 7.94 -1.26 -0.99 117.00 126.08 3k17 n LEU 205 Ca 0.10 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.91 3k17 n LEU 205 Cb 0.10 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 43.96 3k17 n LEU 205 CO 0.59 0.00 0.16 -1.58 -1.11 0.00 0.00 177.39 175.44 3k17 s GLN 206 N -4.75 0.51 -0.28 1.96 0.74 -0.91 -4.99 119.66 111.95 3k17 s GLN 206 Ca 0.00 0.91 0.01 0.00 0.05 0.00 0.00 55.36 56.32 3k17 s GLN 206 Cb 0.00 0.06 0.08 0.00 1.10 0.00 0.00 33.01 34.26 3k17 s GLN 206 CO 0.00 -0.14 0.02 0.42 -0.55 0.00 0.00 175.29 175.04 3k17 s ILE 207 N 1.32 1.43 -0.21 -2.34 1.01 -1.26 -0.37 121.20 120.78 3k17 s ILE 207 Ca -0.08 -1.50 -0.07 0.00 0.00 0.00 0.00 60.65 59.00 3k17 s ILE 207 Cb -0.07 -1.91 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 3k17 s ILE 207 CO -0.13 -0.41 0.07 -0.70 0.00 0.00 0.00 174.94 173.77 3k17 s GLU 208 N 1.38 3.85 0.11 2.79 2.12 -0.35 -4.96 118.70 123.64 3k17 s GLU 208 Ca 0.03 -0.40 -0.30 0.00 0.36 0.00 0.00 54.97 54.66 3k17 s GLU 208 Cb -0.18 -3.26 -0.06 0.00 0.26 0.00 0.00 34.13 30.89 3k17 s GLU 208 CO -0.13 0.09 1.15 0.99 -0.54 0.00 0.00 175.26 176.82 3k17 s THR 209 N 0.87 3.98 0.37 -1.70 2.01 -1.26 -0.70 115.64 119.20 3k17 s THR 209 Ca 0.04 1.53 0.08 0.00 0.31 0.00 0.00 61.69 63.65 3k17 s THR 209 Cb -0.14 -3.98 -0.05 0.00 0.01 0.00 0.00 72.50 68.34 3k17 s THR 209 CO 0.02 0.18 0.07 -0.76 -0.69 0.00 0.00 174.62 173.45 3k17 s LEU 210 N 0.43 3.04 -0.06 4.42 1.43 0.10 -4.91 118.68 123.14 3k17 s LEU 210 Ca 0.54 -1.02 -0.16 0.00 -1.03 0.00 0.00 54.13 52.46 3k17 s LEU 210 Cb -0.29 -1.38 -0.05 0.00 0.03 0.00 0.00 46.19 44.49 3k17 s LEU 210 CO 0.32 -0.34 0.43 -1.61 0.23 0.00 0.00 176.35 175.37 3k17 s GLU 211 N -3.78 4.13 0.21 1.70 0.41 -1.26 -4.37 118.70 115.73 3k17 s GLU 211 Ca 0.37 0.40 -0.31 0.00 -0.41 0.00 0.00 54.97 55.02 3k17 s GLU 211 Cb 0.02 -3.32 -0.11 0.00 -1.78 0.00 0.00 34.13 28.93 3k17 s GLU 211 CO 0.20 0.44 1.62 -2.00 -0.49 0.00 0.00 175.26 175.04 3k17 s GLU 212 N -0.27 4.17 0.67 1.61 2.12 -1.26 -4.96 118.70 120.78 3k17 s GLU 212 Ca 0.24 2.48 -0.16 0.00 0.36 0.00 0.00 54.97 57.89 3k17 s GLU 212 Cb -0.16 -3.10 0.01 0.00 0.26 0.00 0.00 34.13 31.14 3k17 s GLU 212 CO 0.11 -0.65 1.16 -2.14 -0.54 0.00 0.00 175.26 173.21 3k17 s PRO 213 N 0.79 2.60 0.12 4.30 0.02 -1.26 -4.95 135.00 136.62 3k17 s PRO 213 Ca 0.70 1.62 -0.11 0.00 0.02 0.00 0.00 61.00 63.23 3k17 s PRO 213 Cb -0.46 -1.90 -0.10 0.00 0.02 0.00 0.00 34.50 32.05 3k17 s PRO 213 CO 0.35 -1.45 1.36 0.28 -0.33 0.00 0.00 177.00 177.21 3k17 h VAL 214 N 0.11 1.28 -2.75 3.83 2.07 -1.95 -3.45 116.25 115.40 3k17 h VAL 214 Ca -0.48 -1.91 -0.58 0.00 0.82 0.00 0.00 66.70 64.55 3k17 h VAL 214 Cb 1.27 1.87 0.09 0.00 -1.52 0.00 0.00 31.29 33.01 3k17 h VAL 214 CO 0.53 0.61 0.58 -2.65 0.02 0.00 0.00 177.57 176.65 3k17 n PRO 215 N -3.95 2.01 -1.72 1.57 -0.02 -1.26 -4.87 135.00 126.77 3k17 n PRO 215 Ca -0.06 0.71 -0.43 0.00 -2.02 0.00 0.00 63.50 61.71 3k17 n PRO 215 Cb 0.70 -2.35 -0.03 0.00 -0.02 0.00 0.00 33.50 31.81 3k17 n PRO 215 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3k17 n THR 216 N 1.63 0.47 -3.61 3.45 -1.04 -1.01 -4.71 114.28 109.46 3k17 n THR 216 Ca 0.11 -0.12 -0.37 0.00 -2.04 0.00 0.00 64.05 61.63 3k17 n THR 216 Cb 0.32 -1.87 -0.09 0.00 -1.82 0.00 0.00 70.33 66.87 3k17 n THR 216 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 3k17 s PHE 217 N 0.59 3.32 -0.06 -1.42 5.36 -1.26 -1.43 117.98 123.08 3k17 s PHE 217 Ca 0.71 0.29 0.04 0.00 -0.96 0.00 0.00 56.93 57.00 3k17 s PHE 217 Cb -0.54 -2.32 -0.02 0.00 -0.34 0.00 0.00 43.02 39.80 3k17 s PHE 217 CO 0.41 0.04 -0.15 -1.12 -1.46 0.00 0.00 175.22 172.93 3k17 s SER 218 N 1.09 3.91 -0.13 6.13 0.01 0.65 -4.75 113.70 120.61 3k17 s SER 218 Ca 0.10 -0.24 0.01 0.00 1.31 0.00 0.00 55.95 57.13 3k17 s SER 218 Cb -0.14 -0.90 -0.00 0.00 0.21 0.00 0.00 66.02 65.19 3k17 s SER 218 CO 0.05 0.32 -0.18 -0.69 0.41 0.00 0.00 173.24 173.15 3k17 s VAL 219 N -0.57 2.50 -0.10 3.43 1.01 -1.26 -1.26 120.40 124.14 3k17 s VAL 219 Ca 0.08 -0.84 -0.00 0.00 0.00 0.00 0.00 61.98 61.22 3k17 s VAL 219 Cb -0.11 -2.02 0.02 0.00 0.00 0.00 0.00 36.38 34.27 3k17 s VAL 219 CO 0.01 0.53 -0.07 -0.83 0.00 0.00 0.00 175.10 174.74 3k17 s GLY 220 N 0.61 0.77 -0.17 4.51 0.00 -0.58 -1.18 107.32 111.27 3k17 s GLY 220 Ca -0.10 -0.47 -0.23 0.00 0.00 0.00 0.00 44.72 43.92 3k17 s GLY 220 CO 0.03 0.73 0.72 0.86 0.00 0.00 0.00 173.10 175.44 3k17 s TRP 221 N 1.56 3.41 -1.37 1.90 -0.00 0.49 -0.73 118.94 124.20 3k17 s TRP 221 Ca 0.02 1.09 0.25 0.00 -0.00 0.00 0.00 56.10 57.46 3k17 s TRP 221 Cb -0.13 -2.89 1.23 0.00 -0.00 0.00 0.00 33.47 31.68 3k17 s TRP 221 CO -0.06 -0.18 1.82 0.25 -0.00 0.00 0.00 176.95 178.78 3k17 n THR 222 N 4.64 0.22 -1.38 5.86 -2.24 -0.38 -1.11 114.28 119.89 3k17 n THR 222 Ca 0.01 0.06 -0.11 0.00 -2.27 0.00 0.00 64.05 61.73 3k17 n THR 222 Cb 0.49 -0.64 -0.05 0.00 -2.10 0.00 0.00 70.33 68.03 3k17 n THR 222 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k17 n GLY 223 N 0.85 1.17 3.01 3.38 0.00 -1.26 -4.87 105.19 107.46 3k17 n GLY 223 Ca 0.11 -0.50 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 3k17 n GLY 223 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k17 s THR 224 N -2.43 1.98 0.63 2.61 2.01 -1.26 -5.02 115.64 114.15 3k17 s THR 224 Ca 0.00 -1.71 -0.17 0.00 0.31 0.00 0.00 61.69 60.11 3k17 s THR 224 Cb 0.00 -2.24 -0.02 0.00 0.01 0.00 0.00 72.50 70.25 3k17 s THR 224 CO 0.00 -0.23 1.18 -2.84 -0.69 0.00 0.00 174.62 172.04 3k17 s PRO 225 N 1.15 2.83 -0.10 4.92 0.02 -1.26 -0.17 135.00 142.38 3k17 s PRO 225 Ca -0.02 1.70 0.04 0.00 0.02 0.00 0.00 61.00 62.73 3k17 s PRO 225 Cb -0.19 -1.93 -0.00 0.00 0.02 0.00 0.00 34.50 32.40 3k17 s PRO 225 CO -0.07 -1.29 -0.23 0.08 -0.33 0.00 0.00 177.00 175.16 3k17 s VAL 226 N -1.84 2.13 -1.22 3.83 1.01 -1.26 -4.76 120.40 118.29 3k17 s VAL 226 Ca 0.74 -0.99 -0.13 0.00 0.00 0.00 0.00 61.98 61.60 3k17 s VAL 226 Cb -0.27 -1.82 0.17 0.00 0.00 0.00 0.00 36.38 34.46 3k17 s VAL 226 CO 0.36 0.56 1.53 -1.54 0.00 0.00 0.00 175.10 176.00 3k17 n SER 227 N 3.55 5.21 -0.31 3.32 3.41 -1.26 -4.86 113.62 122.68 3k17 n SER 227 Ca -0.19 -3.01 0.06 0.00 -0.26 0.00 0.00 58.87 55.47 3k17 n SER 227 Cb 0.53 -1.55 0.14 0.00 -0.26 0.00 0.00 64.21 63.07 3k17 n SER 227 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3k17 n THR 228 N 4.27 -0.37 -0.36 6.66 -1.04 -1.26 -1.78 114.28 120.40 3k17 n THR 228 Ca 0.37 2.00 -0.07 0.00 -2.04 0.00 0.00 64.05 64.32 3k17 n THR 228 Cb 0.41 -2.79 -0.04 0.00 -1.82 0.00 0.00 70.33 66.09 3k17 n THR 228 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3k17 n GLY 229 N -1.54 -2.15 0.22 3.41 0.00 -1.26 -0.66 105.19 103.21 3k17 n GLY 229 Ca 0.15 1.04 -0.00 0.00 0.00 0.00 0.00 46.02 47.21 3k17 n GLY 229 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3k17 h LYS 230 N 0.00 0.13 -0.18 1.61 3.64 -1.78 0.61 116.57 120.60 3k17 h LYS 230 Ca 0.20 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.54 3k17 h LYS 230 Cb 0.43 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 3k17 h LYS 230 CO -0.86 0.08 -0.04 -0.07 -2.27 0.00 0.00 179.45 176.29 3k17 h LEU 231 N 0.13 0.34 -0.36 5.20 4.07 -1.00 -2.01 115.31 121.69 3k17 h LEU 231 Ca 0.29 -0.37 -0.01 0.00 0.08 0.00 0.00 57.88 57.88 3k17 h LEU 231 Cb 0.45 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 42.08 3k17 h LEU 231 CO -0.47 0.63 0.19 0.58 -1.08 0.00 0.00 178.44 178.30 3k17 h VAL 232 N 0.05 1.15 -0.71 1.22 2.07 -0.71 -1.43 116.25 117.89 3k17 h VAL 232 Ca 0.04 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 3k17 h VAL 232 Cb 0.48 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 3k17 h VAL 232 CO 0.02 0.15 0.33 0.77 0.02 0.00 0.00 177.57 178.86 3k17 h SER 233 N 0.45 0.93 -0.44 0.57 4.64 -0.91 -0.22 113.55 118.57 3k17 h SER 233 Ca 0.13 -0.11 -0.04 0.00 -0.47 0.00 0.00 61.79 61.30 3k17 h SER 233 Cb 0.07 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 61.90 3k17 h SER 233 CO -0.02 0.79 0.13 1.56 -0.87 0.00 0.00 176.83 178.43 3k17 h GLN 234 N 1.01 0.69 -0.46 4.77 4.20 -1.03 -1.88 115.11 122.42 3k17 h GLN 234 Ca 0.24 -0.15 -0.07 0.00 0.06 0.00 0.00 58.65 58.73 3k17 h GLN 234 Cb 0.12 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 3k17 h GLN 234 CO -0.03 0.67 -0.00 0.82 -0.67 0.00 0.00 178.83 179.62 3k17 h ILE 235 N 0.58 1.26 -1.01 2.54 1.08 -0.82 -0.35 117.51 120.79 3k17 h ILE 235 Ca 0.14 -1.05 0.01 0.00 -0.39 0.00 0.00 64.86 63.57 3k17 h ILE 235 Cb 0.27 1.04 -0.05 0.00 -3.07 0.00 0.00 36.82 35.01 3k17 h ILE 235 CO -0.00 0.36 0.67 -0.74 -0.69 0.00 0.00 178.15 177.75 3k17 h HIS 236 N 0.65 1.27 -0.51 1.37 2.76 -0.94 -0.01 115.15 119.73 3k17 h HIS 236 Ca 0.13 0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 58.21 3k17 h HIS 236 Cb 0.50 -0.43 -0.02 0.00 1.55 0.00 0.00 27.41 29.02 3k17 h HIS 236 CO 0.04 0.80 -0.15 0.00 -1.30 0.00 0.00 177.93 177.31 3k17 h ALA 237 N 1.37 0.76 -0.99 5.26 0.00 -1.09 -2.52 119.26 122.05 3k17 h ALA 237 Ca 0.37 -0.37 0.05 0.00 0.00 0.00 0.00 54.91 54.96 3k17 h ALA 237 Cb -0.15 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.39 3k17 h ALA 237 CO -0.08 0.67 0.64 0.35 0.00 0.00 0.00 179.25 180.83 3k17 h PHE 238 N 0.88 1.20 -0.67 0.00 3.57 -0.02 0.26 116.94 122.15 3k17 h PHE 238 Ca 0.13 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.75 3k17 h PHE 238 Cb 0.72 -0.40 -0.04 0.00 2.79 0.00 0.00 35.95 39.02 3k17 h PHE 238 CO 0.05 0.66 0.45 -0.22 -2.23 0.00 0.00 178.31 177.01 3k17 h LYS 239 N 1.20 0.55 0.04 1.11 3.64 -0.60 0.37 116.57 122.88 3k17 h LYS 239 Ca 0.41 -0.03 -0.28 0.00 -1.27 0.00 0.00 60.65 59.48 3k17 h LYS 239 Cb 0.08 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 3k17 h LYS 239 CO -0.15 0.36 -1.48 1.96 -2.27 0.00 0.00 179.45 177.88 3k17 h GLN 240 N 0.56 0.07 0.00 1.90 1.08 -0.92 -3.13 115.11 114.68 3k17 h GLN 240 Ca 0.31 -0.13 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 3k17 h GLN 240 Cb 0.46 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 3k17 h GLN 240 CO -0.10 0.83 -0.13 -1.91 -0.95 0.00 0.00 178.83 176.57 3k17 n GLU 241 N -3.25 0.15 -2.73 1.46 4.07 0.75 -4.55 120.64 116.53 3k17 n GLU 241 Ca -0.13 0.10 -0.05 0.00 -0.06 0.00 0.00 57.16 57.03 3k17 n GLU 241 Cb 1.02 -1.65 0.03 0.00 -0.06 0.00 0.00 31.44 30.77 3k17 n GLU 241 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 3k17 n ASP 242 N -1.91 -2.81 0.20 4.31 -0.08 0.12 -5.02 116.55 111.37 3k17 n ASP 242 Ca 0.06 -2.52 0.04 0.00 -1.51 0.00 0.00 54.79 50.86 3k17 n ASP 242 Cb 0.39 1.50 0.43 0.00 2.34 0.00 0.00 41.12 45.78 3k17 n ASP 242 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 3k17 h SER 243 N 4.52 0.00 0.02 1.67 4.64 -1.74 -2.27 113.55 120.39 3k17 h SER 243 Ca -0.01 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3k17 h SER 243 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3k17 h SER 243 CO 0.03 0.30 -0.01 0.50 -0.87 0.00 0.00 176.83 176.78 3k17 h LYS 244 N 0.00 -0.03 -0.44 4.77 3.64 -1.95 0.03 116.57 122.59 3k17 h LYS 244 Ca -0.00 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 3k17 h LYS 244 Cb 0.55 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 3k17 h LYS 244 CO 0.04 0.29 -0.01 -0.91 -2.27 0.00 0.00 179.45 176.60 3k17 h ASN 245 N -0.35 0.76 -0.75 4.20 -0.26 -1.95 -1.56 115.58 115.67 3k17 h ASN 245 Ca -0.00 -0.31 -0.01 0.00 -0.56 0.00 0.00 56.30 55.42 3k17 h ASN 245 Cb 0.33 -0.21 -0.04 0.00 -1.06 0.00 0.00 38.32 37.35 3k17 h ASN 245 CO 0.00 0.89 0.43 0.22 -1.06 0.00 0.00 177.43 177.92 3k17 h TYR 246 N 0.62 1.01 -0.11 1.19 3.20 -1.41 -1.14 116.97 120.33 3k17 h TYR 246 Ca 0.12 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.91 3k17 h TYR 246 Cb 0.50 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 3k17 h TYR 246 CO 0.04 0.69 -0.27 0.37 -1.64 0.00 0.00 178.16 177.36 3k17 h GLN 247 N 1.03 0.20 -0.57 1.82 5.75 -0.82 -1.34 115.11 121.19 3k17 h GLN 247 Ca 0.27 -0.07 -0.07 0.00 -0.15 0.00 0.00 58.65 58.63 3k17 h GLN 247 Cb 0.00 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.51 3k17 h GLN 247 CO -0.05 0.46 0.08 1.25 -2.65 0.00 0.00 178.83 177.92 3k17 h HIS 248 N 0.18 1.01 0.28 3.99 2.76 -0.42 -0.08 115.15 122.87 3k17 h HIS 248 Ca 0.03 -0.15 -0.00 0.00 -2.20 0.00 0.00 60.37 58.05 3k17 h HIS 248 Cb 0.57 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.25 3k17 h HIS 248 CO 0.01 0.89 -0.21 0.35 -1.30 0.00 0.00 177.93 177.66 3k17 h PHE 249 N 0.84 -0.56 0.25 5.26 3.57 -0.54 -0.17 116.94 125.59 3k17 h PHE 249 Ca 0.17 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.67 3k17 h PHE 249 Cb 0.43 0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.36 3k17 h PHE 249 CO 0.03 -0.32 -0.30 -0.07 -2.23 0.00 0.00 178.31 175.42 3k17 h LEU 250 N -0.50 -0.82 -0.45 0.59 3.38 -1.06 0.40 115.31 116.86 3k17 h LEU 250 Ca -0.02 0.08 0.09 0.00 0.09 0.00 0.00 57.88 58.12 3k17 h LEU 250 Cb 0.44 0.29 -0.07 0.00 0.09 0.00 0.00 40.66 41.40 3k17 h LEU 250 CO -0.01 -0.41 -0.01 0.74 0.09 0.00 0.00 178.44 178.84 3k17 h THR 251 N -0.59 0.64 -0.66 0.22 2.02 -0.96 0.21 112.91 113.78 3k17 h THR 251 Ca -0.00 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 3k17 h THR 251 Cb 0.56 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 3k17 h THR 251 CO -0.09 0.02 0.39 -0.09 0.37 0.00 0.00 175.52 176.12 3k17 h ARG 252 N 0.10 0.90 -0.66 6.66 9.65 -0.72 -2.45 114.38 127.86 3k17 h ARG 252 Ca 0.22 -0.09 0.01 0.00 -1.10 0.00 0.00 59.98 59.02 3k17 h ARG 252 Cb 0.33 -0.19 -0.03 0.00 -1.39 0.00 0.00 29.97 28.69 3k17 h ARG 252 CO -0.38 0.65 0.44 -0.97 2.80 0.00 0.00 179.97 182.51 3k17 h ASN 253 N 0.90 0.77 -0.14 -3.80 -0.73 0.15 -2.39 115.58 110.34 3k17 h ASN 253 Ca 0.24 -0.02 -0.04 0.00 1.87 0.00 0.00 56.30 58.34 3k17 h ASN 253 Cb -0.01 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 38.37 3k17 h ASN 253 CO -0.04 0.56 -0.02 0.78 -0.37 0.00 0.00 177.43 178.34 3k17 h ASN 254 N 0.90 0.35 -0.11 1.15 2.35 -0.29 -2.59 115.58 117.35 3k17 h ASN 254 Ca 0.24 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.92 3k17 h ASN 254 Cb -0.10 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.18 3k17 h ASN 254 CO -0.05 0.43 -0.01 -0.33 -1.65 0.00 0.00 177.43 175.82 3k17 h GLU 255 N 0.37 0.19 -1.50 0.81 5.08 -1.05 -2.67 114.58 115.81 3k17 h GLU 255 Ca 0.08 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3k17 h GLU 255 Cb 0.28 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3k17 h GLU 255 CO 0.01 0.46 0.00 -0.89 -1.00 0.00 0.00 179.01 177.59 3k17 n ILE 256 N -4.80 0.07 0.00 3.13 5.41 -0.94 -2.37 119.36 119.87 3k17 n ILE 256 Ca -0.06 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.69 3k17 n ILE 256 Cb 0.21 -0.43 0.00 0.00 -0.71 0.00 0.00 39.64 38.71 3k17 n ILE 256 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 3k17 n LYS 258 N 0.84 0.00 0.14 0.38 4.81 -1.01 -0.74 118.16 122.58 3k17 n LYS 258 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.30 3k17 n LYS 258 Cb 0.04 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.01 3k17 n LYS 258 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 3k17 h GLN 259 N 0.00 -0.28 -0.63 1.64 4.20 -1.76 -1.88 115.11 116.40 3k17 h GLN 259 Ca 0.00 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 3k17 h GLN 259 Cb 0.00 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 3k17 h GLN 259 CO 0.00 -0.11 0.36 0.97 -0.67 0.00 0.00 178.83 179.39 3k17 h ILE 260 N -0.39 1.18 -0.64 2.54 2.10 -1.23 0.19 117.51 121.26 3k17 h ILE 260 Ca -0.03 -0.43 -0.07 0.00 1.08 0.00 0.00 64.86 65.41 3k17 h ILE 260 Cb 0.30 0.31 -0.03 0.00 -1.09 0.00 0.00 36.82 36.32 3k17 h ILE 260 CO 0.05 0.20 0.13 0.40 -1.08 0.00 0.00 178.15 177.85 3k17 h ILE 261 N 0.87 1.25 -0.21 2.19 2.04 -1.78 -0.68 117.51 121.21 3k17 h ILE 261 Ca 0.23 -0.96 -0.00 0.00 1.00 0.00 0.00 64.86 65.12 3k17 h ILE 261 Cb -0.01 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 3k17 h ILE 261 CO -0.04 0.36 0.11 -0.61 0.00 0.00 0.00 178.15 177.97 3k17 h GLN 262 N 0.97 0.29 -1.00 2.37 4.15 -0.32 -0.51 115.11 121.06 3k17 h GLN 262 Ca 0.20 -0.03 0.12 0.00 0.77 0.00 0.00 58.65 59.71 3k17 h GLN 262 Cb 0.38 -0.06 -0.09 0.00 0.21 0.00 0.00 27.48 27.93 3k17 h GLN 262 CO 0.01 0.28 0.62 0.00 -1.93 0.00 0.00 178.83 177.80 3k17 h ALA 263 N 1.00 1.51 0.13 3.38 0.00 -0.08 0.19 119.26 125.39 3k17 h ALA 263 Ca 0.07 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3k17 h ALA 263 Cb 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3k17 h ALA 263 CO -0.01 0.21 -0.06 0.74 0.00 0.00 0.00 179.25 180.12 3k17 h PHE 264 N 0.97 -0.17 -0.78 0.00 0.04 -0.70 0.39 116.94 116.70 3k17 h PHE 264 Ca 0.50 -0.00 0.07 0.00 2.80 0.00 0.00 57.97 61.34 3k17 h PHE 264 Cb 0.51 0.06 -0.06 0.00 2.20 0.00 0.00 35.95 38.65 3k17 h PHE 264 CO -0.01 0.22 0.45 0.45 -0.60 0.00 0.00 178.31 178.83 3k17 h HIS 265 N -0.61 0.83 -0.22 -0.55 3.86 -0.52 -2.72 115.15 115.22 3k17 h HIS 265 Ca -0.02 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3k17 h HIS 265 Cb 0.47 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.68 3k17 h HIS 265 CO 0.06 0.38 0.00 0.25 0.86 0.00 0.00 177.93 179.47 3k17 n THR 266 N -4.73 0.26 -3.78 2.45 -2.24 0.62 -4.96 114.28 101.90 3k17 n THR 266 Ca 0.12 -0.60 -0.27 0.00 -2.27 0.00 0.00 64.05 61.02 3k17 n THR 266 Cb 0.22 1.12 0.05 0.00 -2.10 0.00 0.00 70.33 69.62 3k17 n THR 266 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3k17 n LYS 267 N 1.30 -6.41 -2.83 -0.78 5.02 0.11 -4.88 118.16 109.70 3k17 n LYS 267 Ca 0.17 0.69 -0.43 0.00 -2.02 0.00 0.00 58.31 56.72 3k17 n LYS 267 Cb 0.58 -5.63 -0.02 0.00 -0.02 0.00 0.00 35.03 29.94 3k17 n LYS 267 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3k17 s ASP 268 N -3.40 6.63 0.21 4.39 -1.08 0.17 -4.88 116.67 118.72 3k17 s ASP 268 Ca 0.59 -1.97 -0.09 0.00 -0.52 0.00 0.00 52.55 50.56 3k17 s ASP 268 Cb -0.28 -2.45 0.31 0.00 -1.46 0.00 0.00 42.92 39.04 3k17 s ASP 268 CO 0.79 -1.16 1.74 -0.33 0.52 0.00 0.00 175.17 176.73 3k17 h GLU 269 N 8.92 0.39 -0.60 4.34 5.08 -1.90 -1.20 114.58 129.61 3k17 h GLU 269 Ca 0.19 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.48 3k17 h GLU 269 Cb 1.01 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.14 3k17 h GLU 269 CO 1.21 0.26 0.20 0.93 -1.00 0.00 0.00 179.01 180.61 3k17 h GLU 270 N 0.40 0.90 0.00 2.33 4.39 -1.99 -1.60 114.58 119.01 3k17 h GLU 270 Ca 0.33 -0.16 -0.05 0.00 0.34 0.00 0.00 59.36 59.81 3k17 h GLU 270 Cb 0.43 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 3k17 h GLU 270 CO -0.34 0.76 -0.26 1.25 -1.16 0.00 0.00 179.01 179.27 3k17 h LEU 271 N 0.88 0.00 -0.03 1.33 5.85 -1.73 -2.42 115.31 119.19 3k17 h LEU 271 Ca 0.20 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 3k17 h LEU 271 Cb 0.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.26 3k17 h LEU 271 CO -0.01 0.26 -0.07 0.25 -0.34 0.00 0.00 178.44 178.53 3k17 h LEU 272 N 0.00 0.11 -0.05 2.25 5.85 -0.33 -2.49 115.31 120.65 3k17 h LEU 272 Ca -0.00 -0.61 0.02 0.00 0.84 0.00 0.00 57.88 58.13 3k17 h LEU 272 Cb 0.71 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 3k17 h LEU 272 CO 0.03 0.70 -0.09 1.88 -0.34 0.00 0.00 178.44 180.63 3k17 h TYR 273 N -0.48 -0.22 -0.43 1.25 0.05 -1.23 -1.31 116.97 114.61 3k17 h TYR 273 Ca -0.00 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.75 3k17 h TYR 273 Cb 0.69 0.10 -0.02 0.00 1.01 0.00 0.00 36.73 38.51 3k17 h TYR 273 CO 0.14 -0.13 0.09 0.66 -1.05 0.00 0.00 178.16 177.86 3k17 h SER 274 N -0.13 0.60 -0.50 3.88 4.64 -1.54 -1.69 113.55 118.81 3k17 h SER 274 Ca 0.05 -0.10 -0.08 0.00 -0.47 0.00 0.00 61.79 61.20 3k17 h SER 274 Cb 0.20 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 3k17 h SER 274 CO -0.12 0.61 0.01 0.28 -0.87 0.00 0.00 176.83 176.73 3k17 h SER 275 N 0.63 0.85 -0.50 4.97 0.02 -1.03 -1.40 113.55 117.09 3k17 h SER 275 Ca 0.14 -0.30 -0.04 0.00 -0.84 0.00 0.00 61.79 60.75 3k17 h SER 275 Cb 0.26 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 3k17 h SER 275 CO -0.00 0.95 0.17 0.40 -1.14 0.00 0.00 176.83 177.21 3k17 h ILE 276 N 0.74 1.22 -0.63 3.27 1.08 -0.94 0.94 117.51 123.19 3k17 h ILE 276 Ca 0.14 -0.73 0.01 0.00 -0.39 0.00 0.00 64.86 63.89 3k17 h ILE 276 Cb 0.51 0.77 -0.03 0.00 -3.07 0.00 0.00 36.82 34.99 3k17 h ILE 276 CO 0.02 0.27 0.41 0.11 -0.69 0.00 0.00 178.15 178.28 3k17 h LYS 277 N 0.67 0.80 -0.43 2.37 1.57 -1.13 0.14 116.57 120.56 3k17 h LYS 277 Ca 0.16 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.83 3k17 h LYS 277 Cb 0.25 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3k17 h LYS 277 CO -0.01 0.53 0.01 0.93 -0.57 0.00 0.00 179.45 180.34 3k17 h GLU 278 N 0.83 0.76 -0.45 3.15 5.08 -0.96 -1.19 114.58 121.80 3k17 h GLU 278 Ca 0.24 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3k17 h GLU 278 Cb -0.06 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 3k17 h GLU 278 CO -0.07 0.83 0.30 -0.97 -1.00 0.00 0.00 179.01 178.10 3k17 h ASN 279 N 0.60 0.53 -0.70 1.42 -0.73 -0.33 -1.48 115.58 114.89 3k17 h ASN 279 Ca 0.12 -0.02 0.09 0.00 1.87 0.00 0.00 56.30 58.36 3k17 h ASN 279 Cb 0.48 -0.13 -0.07 0.00 0.27 0.00 0.00 38.32 38.87 3k17 h ASN 279 CO 0.02 0.39 0.35 -0.09 -0.37 0.00 0.00 177.43 177.73 3k17 h ARG 280 N 0.61 0.59 0.03 6.67 2.43 -0.49 -2.21 114.38 122.02 3k17 h ARG 280 Ca 0.17 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3k17 h ARG 280 Cb -0.06 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.36 3k17 h ARG 280 CO -0.04 0.39 -0.02 0.00 -1.51 0.00 0.00 179.97 178.80 3k17 h ARG 281 N 0.61 -0.04 0.00 0.20 2.47 -0.30 -1.21 114.38 116.12 3k17 h ARG 281 Ca 0.34 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 59.02 3k17 h ARG 281 Cb 0.34 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.67 3k17 h ARG 281 CO -0.26 0.01 -0.20 -0.84 0.56 0.00 0.00 179.97 179.24 3k17 h ILE 282 N -0.08 0.92 -0.03 2.04 3.07 -1.06 0.32 117.51 122.69 3k17 h ILE 282 Ca -0.00 -0.75 -0.19 0.00 1.55 0.00 0.00 64.86 65.47 3k17 h ILE 282 Cb 0.07 1.43 -0.01 0.00 -0.27 0.00 0.00 36.82 38.04 3k17 h ILE 282 CO 0.01 0.20 -0.79 -0.07 -1.05 0.00 0.00 178.15 176.44 3k17 h LEU 283 N 0.00 0.32 -0.40 0.16 3.38 -1.14 -0.10 115.31 117.53 3k17 h LEU 283 Ca -0.00 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.66 3k17 h LEU 283 Cb 0.42 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3k17 h LEU 283 CO 0.03 0.99 -0.05 1.56 0.09 0.00 0.00 178.44 181.06 3k17 h GLN 284 N 0.16 0.74 -0.05 1.13 4.20 -0.14 -0.98 115.11 120.18 3k17 h GLN 284 Ca -0.04 -0.26 -0.00 0.00 0.06 0.00 0.00 58.65 58.41 3k17 h GLN 284 Cb 1.38 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 29.11 3k17 h GLN 284 CO 0.13 0.85 0.03 0.93 -0.67 0.00 0.00 178.83 180.09 3k17 h GLU 285 N 0.56 0.07 -0.47 1.46 4.39 -0.82 -0.96 114.58 118.81 3k17 h GLU 285 Ca 0.11 -0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.85 3k17 h GLU 285 Cb 0.55 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.14 3k17 h GLU 285 CO 0.03 0.12 0.21 1.25 -1.16 0.00 0.00 179.01 179.46 3k17 h LEU 286 N -0.01 0.27 -0.80 1.33 5.85 -0.92 0.88 115.31 121.91 3k17 h LEU 286 Ca 0.02 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.79 3k17 h LEU 286 Cb 0.08 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 3k17 h LEU 286 CO -0.00 0.19 0.53 1.23 -0.34 0.00 0.00 178.44 180.05 3k17 h GLY 287 N 0.41 1.13 0.74 3.75 0.00 -0.93 -0.47 103.07 107.70 3k17 h GLY 287 Ca 0.21 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 3k17 h GLY 287 CO -0.18 0.40 -0.16 -0.84 0.00 0.00 0.00 176.54 175.77 3k17 h THR 288 N 1.08 0.68 -0.59 4.70 2.02 -0.45 0.62 112.91 120.96 3k17 h THR 288 Ca 0.30 -0.48 0.01 0.00 0.77 0.00 0.00 66.41 67.02 3k17 h THR 288 Cb -0.11 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 3k17 h THR 288 CO -0.07 0.09 0.38 0.11 0.37 0.00 0.00 175.52 176.40 3k17 h LYS 289 N -0.71 0.75 0.00 6.66 1.57 -0.74 -2.44 116.57 121.65 3k17 h LYS 289 Ca -0.04 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3k17 h LYS 289 Cb 0.49 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.63 3k17 h LYS 289 CO 0.07 0.50 -0.02 0.00 -0.57 0.00 0.00 179.45 179.43 3k17 n ALA 290 N -2.27 2.37 -2.62 3.86 0.00 -0.20 -4.91 120.51 116.75 3k17 n ALA 290 Ca 0.05 -0.11 -0.09 0.00 0.00 0.00 0.00 53.44 53.29 3k17 n ALA 290 Cb 0.04 -1.46 0.02 0.00 0.00 0.00 0.00 19.45 18.05 3k17 n ALA 290 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k17 n GLY 291 N 1.50 0.23 3.23 0.00 0.00 -0.35 -4.96 105.19 104.84 3k17 n GLY 291 Ca 0.07 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 3k17 n GLY 291 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k17 s VAL 292 N -2.84 2.44 -1.28 1.61 1.01 0.20 -5.02 120.40 116.53 3k17 s VAL 292 Ca 0.14 -0.84 -0.16 0.00 0.00 0.00 0.00 61.98 61.11 3k17 s VAL 292 Cb -0.06 -2.02 -0.01 0.00 0.00 0.00 0.00 36.38 34.30 3k17 s VAL 292 CO 0.17 0.53 2.12 -3.20 0.00 0.00 0.00 175.10 174.72 3k17 n ASN 293 N 4.10 3.61 0.22 3.32 5.15 -1.26 -4.23 115.26 126.16 3k17 n ASN 293 Ca -0.19 -2.80 -0.12 0.00 -0.60 0.00 0.00 54.58 50.87 3k17 n ASN 293 Cb 0.52 -1.54 -0.06 0.00 -0.53 0.00 0.00 39.78 38.17 3k17 n ASN 293 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 3k17 h ILE 294 N 4.26 0.25 -2.78 -1.44 2.04 -1.87 -3.22 117.51 114.75 3k17 h ILE 294 Ca 0.52 -0.58 -0.66 0.00 1.00 0.00 0.00 64.86 65.15 3k17 h ILE 294 Cb 0.67 0.38 -0.16 0.00 -0.74 0.00 0.00 36.82 36.97 3k17 h ILE 294 CO 1.87 0.05 0.38 -0.70 0.00 0.00 0.00 178.15 179.75 3k17 s GLU 295 N -4.00 3.09 1.13 2.37 2.12 -1.26 0.14 118.70 122.28 3k17 s GLU 295 Ca -0.12 -0.99 -0.17 0.00 0.36 0.00 0.00 54.97 54.06 3k17 s GLU 295 Cb 0.01 -4.23 0.25 0.00 0.26 0.00 0.00 34.13 30.42 3k17 s GLU 295 CO 0.38 -1.69 1.10 0.95 -0.54 0.00 0.00 175.26 175.46 3k17 s THR 296 N 3.54 1.76 0.24 -1.70 -4.23 -1.26 -4.71 115.64 109.28 3k17 s THR 296 Ca 0.18 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.64 3k17 s THR 296 Cb -0.19 -2.49 0.17 0.00 1.34 0.00 0.00 72.50 71.32 3k17 s THR 296 CO 0.09 0.00 1.81 0.28 -0.54 0.00 0.00 174.62 176.26 3k17 h SER 297 N -2.33 1.00 -0.09 3.99 0.02 -1.96 0.45 113.55 114.62 3k17 h SER 297 Ca -0.49 -0.15 -0.16 0.00 -0.84 0.00 0.00 61.79 60.15 3k17 h SER 297 Cb 1.31 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 3k17 h SER 297 CO 0.43 0.89 -0.50 0.25 -1.14 0.00 0.00 176.83 176.77 3k17 h LEU 298 N 1.06 0.72 -0.89 5.07 5.85 -1.99 -2.03 115.31 123.11 3k17 h LEU 298 Ca 0.24 -0.37 -0.11 0.00 0.84 0.00 0.00 57.88 58.49 3k17 h LEU 298 Cb 0.21 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3k17 h LEU 298 CO -0.02 1.10 -0.41 -0.07 -0.34 0.00 0.00 178.44 178.70 3k17 h LEU 299 N 0.52 0.31 -0.07 2.25 3.38 -1.81 -0.36 115.31 119.54 3k17 h LEU 299 Ca 0.02 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 3k17 h LEU 299 Cb 1.05 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 3k17 h LEU 299 CO 0.10 0.69 0.03 0.50 0.09 0.00 0.00 178.44 179.85 3k17 h LYS 300 N 0.25 0.10 -0.62 1.13 3.64 -0.68 -0.48 116.57 119.92 3k17 h LYS 300 Ca 0.02 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 3k17 h LYS 300 Cb 0.83 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.61 3k17 h LYS 300 CO 0.07 0.24 0.28 0.93 -2.27 0.00 0.00 179.45 178.69 3k17 h GLU 301 N -0.06 0.88 0.01 1.90 4.39 -1.18 0.22 114.58 120.74 3k17 h GLU 301 Ca 0.02 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 3k17 h GLU 301 Cb 0.18 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 3k17 h GLU 301 CO -0.00 0.70 -0.00 1.25 -1.16 0.00 0.00 179.01 179.79 3k17 h LEU 302 N 0.88 -0.01 -0.37 1.33 6.46 -0.68 -1.72 115.31 121.20 3k17 h LEU 302 Ca 0.21 -0.10 -0.17 0.00 -0.12 0.00 0.00 57.88 57.71 3k17 h LEU 302 Cb 0.12 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.05 3k17 h LEU 302 CO -0.02 0.09 -0.46 0.00 -0.62 0.00 0.00 178.44 177.42 3k17 h ALA 303 N 0.88 0.54 -0.37 1.25 0.00 -0.80 -2.63 119.26 118.13 3k17 h ALA 303 Ca -0.00 -0.48 0.01 0.00 0.00 0.00 0.00 54.91 54.44 3k17 h ALA 303 Cb 0.11 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3k17 h ALA 303 CO 0.00 0.68 0.22 -0.44 0.00 0.00 0.00 179.25 179.71 3k17 h ASP 304 N 0.71 0.37 -0.31 0.00 3.32 -0.53 -0.55 116.42 119.43 3k17 h ASP 304 Ca 0.04 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 3k17 h ASP 304 Cb 1.06 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.51 3k17 h ASP 304 CO 0.11 0.27 0.11 0.77 -1.72 0.00 0.00 179.24 178.77 3k17 h SER 305 N 0.45 0.51 -0.66 6.45 4.64 -1.30 0.30 113.55 123.94 3k17 h SER 305 Ca 0.14 -0.07 -0.08 0.00 -0.47 0.00 0.00 61.79 61.32 3k17 h SER 305 Cb -0.01 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 61.92 3k17 h SER 305 CO -0.06 0.50 0.11 0.00 -0.87 0.00 0.00 176.83 176.51 3k17 h ALA 306 N 1.57 0.88 -0.14 5.18 0.00 -0.98 -3.10 119.26 122.68 3k17 h ALA 306 Ca 0.13 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 3k17 h ALA 306 Cb 0.19 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3k17 h ALA 306 CO -0.01 0.65 -0.42 0.93 0.00 0.00 0.00 179.25 180.40 3k17 h GLU 307 N 1.02 0.53 -2.18 0.00 5.08 -0.16 -1.92 114.58 116.95 3k17 h GLU 307 Ca 0.20 -0.39 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 3k17 h GLU 307 Cb 0.44 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 3k17 h GLU 307 CO 0.01 1.01 0.08 0.09 -1.00 0.00 0.00 179.01 179.20 3k17 n ASN 308 N -4.28 0.63 0.00 1.42 3.02 0.98 -3.90 115.26 113.14 3k17 n ASN 308 Ca -0.07 -1.26 0.00 0.00 -0.03 0.00 0.00 54.58 53.22 3k17 n ASN 308 Cb 0.55 -0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.58 3k17 n ASN 308 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k17 n GLY 310 N 2.14 0.29 0.00 7.41 0.00 -1.23 -5.08 105.19 108.72 3k17 n GLY 310 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3k17 n GLY 310 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k17 n GLY 311 N 1.88 1.69 3.28 -0.02 0.00 -0.72 -4.80 105.19 106.49 3k17 n GLY 311 Ca 0.00 -1.40 -0.12 0.00 0.00 0.00 0.00 46.02 44.51 3k17 n GLY 311 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k17 s ALA 312 N -2.98 -0.82 0.25 4.61 0.00 -0.88 -4.15 121.76 117.80 3k17 s ALA 312 Ca 0.00 0.10 -0.17 0.00 0.00 0.00 0.00 51.96 51.89 3k17 s ALA 312 Cb 0.00 0.37 0.01 0.00 0.00 0.00 0.00 23.12 23.50 3k17 s ALA 312 CO 0.00 -0.45 0.60 0.20 0.00 0.00 0.00 175.76 176.10 3k17 s GLY 313 N -2.13 0.15 -0.02 0.00 0.00 -1.26 -1.04 107.32 103.02 3k17 s GLY 313 Ca -0.04 -0.51 -0.30 0.00 0.00 0.00 0.00 44.72 43.86 3k17 s GLY 313 CO -0.04 -0.32 1.30 -1.59 0.00 0.00 0.00 173.10 172.45 3k17 s LYS 314 N -3.95 0.36 0.62 2.90 -2.85 -0.40 -4.77 119.74 111.65 3k17 s LYS 314 Ca 0.15 -0.21 -0.15 0.00 -1.00 0.00 0.00 55.97 54.77 3k17 s LYS 314 Cb -0.03 0.12 -0.02 0.00 -2.06 0.00 0.00 37.83 35.83 3k17 s LYS 314 CO 0.06 -0.17 1.07 -1.54 0.10 0.00 0.00 175.35 174.87 3k17 s SER 315 N -3.14 5.58 -0.22 0.03 1.04 -1.26 -0.40 113.70 115.33 3k17 s SER 315 Ca 0.17 1.82 0.01 0.00 0.48 0.00 0.00 55.95 58.43 3k17 s SER 315 Cb 0.04 -2.53 0.03 0.00 0.10 0.00 0.00 66.02 63.66 3k17 s SER 315 CO -0.04 -1.30 -0.13 -0.55 0.98 0.00 0.00 173.24 172.20 3k17 s SER 316 N -2.89 3.86 0.07 7.02 0.15 -0.33 -4.74 113.70 116.83 3k17 s SER 316 Ca 0.63 -0.89 0.00 0.00 0.70 0.00 0.00 55.95 56.39 3k17 s SER 316 Cb -0.17 -1.56 0.00 0.00 -1.71 0.00 0.00 66.02 62.58 3k17 s SER 316 CO 0.40 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.37 3k17 n GLY 317 N 4.59 0.96 0.25 9.45 0.00 -1.26 -4.28 105.19 114.90 3k17 n GLY 317 Ca -0.18 -1.42 0.14 0.00 0.00 0.00 0.00 46.02 44.57 3k17 n GLY 317 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3k17 h SER 318 N 0.59 0.00 -1.31 1.61 4.64 -1.94 -3.45 113.55 113.68 3k17 h SER 318 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3k17 h SER 318 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3k17 h SER 318 CO 0.00 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 176.64 3k17 n GLY 319 N 0.25 -1.20 3.23 -0.77 0.00 -1.26 -4.78 105.19 100.66 3k17 n GLY 319 Ca 0.01 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.80 3k17 n GLY 319 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k17 n GLY 320 N 0.00 1.60 0.00 -0.02 0.00 0.36 -4.69 105.19 102.44 3k17 n GLY 320 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3k17 n GLY 320 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k17 n GLY 321 N -2.00 -0.21 7.00 -0.02 0.00 -1.26 -4.82 105.19 103.87 3k17 n GLY 321 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.25 3k17 n GLY 321 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3k17 n ASP 322 N 0.00 0.00 -4.93 1.61 8.00 0.77 -4.75 116.55 117.24 3k17 n ASP 322 Ca 0.00 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.22 3k17 n ASP 322 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 3k17 n ASP 322 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k17 s GLY 324 N -2.88 1.73 0.13 0.00 0.00 0.09 -1.19 107.32 105.20 3k17 s GLY 324 Ca 0.35 -1.66 0.02 0.00 0.00 0.00 0.00 44.72 43.43 3k17 s GLY 324 CO 0.28 -1.71 -0.04 -0.26 0.00 0.00 0.00 173.10 171.37 3k17 s ILE 325 N -2.18 0.68 0.08 0.90 -4.36 0.47 -1.53 121.20 115.27 3k17 s ILE 325 Ca 0.29 -1.96 -0.20 0.00 -0.26 0.00 0.00 60.65 58.53 3k17 s ILE 325 Cb -0.07 -1.87 0.05 0.00 1.25 0.00 0.00 42.46 41.81 3k17 s ILE 325 CO 0.17 -0.70 0.47 0.00 0.24 0.00 0.00 174.94 175.12 3k17 s ALA 326 N -3.64 -1.16 -0.09 2.27 0.00 -0.39 -1.27 121.76 117.47 3k17 s ALA 326 Ca 0.17 0.33 0.04 0.00 0.00 0.00 0.00 51.96 52.51 3k17 s ALA 326 Cb 0.06 0.52 -0.01 0.00 0.00 0.00 0.00 23.12 23.69 3k17 s ALA 326 CO -0.01 -0.56 -0.23 -0.06 0.00 0.00 0.00 175.76 174.90 3k17 s PHE 327 N -2.98 2.55 0.10 0.00 0.08 -0.21 -0.25 117.98 117.27 3k17 s PHE 327 Ca -0.02 -0.87 0.08 0.00 0.12 0.00 0.00 56.93 56.23 3k17 s PHE 327 Cb 0.00 -1.68 -0.03 0.00 -0.57 0.00 0.00 43.02 40.73 3k17 s PHE 327 CO -0.06 -0.31 -0.21 -1.12 -0.10 0.00 0.00 175.22 173.42 3k17 s SER 328 N 0.14 2.52 0.28 1.36 0.01 -0.51 -2.07 113.70 115.44 3k17 s SER 328 Ca -0.12 -0.68 -0.01 0.00 1.31 0.00 0.00 55.95 56.46 3k17 s SER 328 Cb -0.16 -0.14 0.48 0.00 0.21 0.00 0.00 66.02 66.41 3k17 s SER 328 CO 0.07 0.06 1.88 0.11 0.41 0.00 0.00 173.24 175.77 3k17 h LYS 329 N 4.13 1.06 -4.29 12.44 6.56 -1.90 -2.67 116.57 131.89 3k17 h LYS 329 Ca -0.46 -0.06 -0.17 0.00 -1.06 0.00 0.00 60.65 58.89 3k17 h LYS 329 Cb 1.18 -0.24 -0.14 0.00 -0.57 0.00 0.00 32.23 32.46 3k17 h LYS 329 CO 0.40 0.70 -0.51 0.95 -2.06 0.00 0.00 179.45 178.93 3k17 s THR 330 N -5.98 0.05 0.16 -0.16 -4.23 -1.26 -4.78 115.64 99.44 3k17 s THR 330 Ca -0.12 -1.78 -0.14 0.00 -1.18 0.00 0.00 61.69 58.46 3k17 s THR 330 Cb 0.20 -2.18 0.04 0.00 1.34 0.00 0.00 72.50 71.90 3k17 s THR 330 CO 0.81 -0.22 1.76 0.11 -0.54 0.00 0.00 174.62 176.55 3k17 h LYS 331 N 2.65 0.70 -0.80 3.99 1.57 -1.98 -0.85 116.57 121.84 3k17 h LYS 331 Ca -0.34 -0.09 0.06 0.00 -1.87 0.00 0.00 60.65 58.42 3k17 h LYS 331 Cb 1.23 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 33.34 3k17 h LYS 331 CO 0.52 0.55 0.49 0.93 -0.57 0.00 0.00 179.45 181.37 3k17 h GLU 332 N 0.66 0.86 0.00 3.15 3.07 -1.99 0.13 114.58 120.46 3k17 h GLU 332 Ca 0.17 -0.05 -0.11 0.00 -0.50 0.00 0.00 59.36 58.87 3k17 h GLU 332 Cb 0.06 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 27.76 3k17 h GLU 332 CO -0.03 0.57 -0.53 -0.07 -1.40 0.00 0.00 179.01 177.55 3k17 h LEU 333 N 0.88 0.00 -0.40 1.33 3.38 -1.87 -2.00 115.31 116.63 3k17 h LEU 333 Ca 0.36 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.21 3k17 h LEU 333 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3k17 h LEU 333 CO -0.18 0.53 -0.20 0.00 0.09 0.00 0.00 178.44 178.69 3k17 h ALA 334 N 1.47 0.56 -0.65 1.53 0.00 0.33 -0.62 119.26 121.88 3k17 h ALA 334 Ca -0.01 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 3k17 h ALA 334 Cb 0.95 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 3k17 h ALA 334 CO 0.07 0.52 0.10 0.93 0.00 0.00 0.00 179.25 180.87 3k17 h GLU 335 N 0.65 1.08 -0.65 0.00 5.08 -0.57 0.61 114.58 120.78 3k17 h GLU 335 Ca 0.09 -0.29 -0.07 0.00 -1.00 0.00 0.00 59.36 58.09 3k17 h GLU 335 Cb 0.75 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 3k17 h GLU 335 CO 0.06 0.99 0.15 0.87 -1.00 0.00 0.00 179.01 180.08 3k17 h LYS 336 N 1.01 1.05 -0.05 2.33 6.56 -1.21 -0.91 116.57 125.35 3k17 h LYS 336 Ca 0.20 -0.26 -0.00 0.00 -1.06 0.00 0.00 60.65 59.53 3k17 h LYS 336 Cb 0.45 -0.13 -0.00 0.00 -0.57 0.00 0.00 32.23 31.97 3k17 h LYS 336 CO 0.01 0.95 0.02 1.25 -2.06 0.00 0.00 179.45 179.63 3k17 h LEU 337 N 0.97 0.06 -0.93 2.94 5.85 -0.64 -2.25 115.31 121.32 3k17 h LEU 337 Ca 0.20 -0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.86 3k17 h LEU 337 Cb 0.38 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.33 3k17 h LEU 337 CO 0.00 0.18 0.58 0.58 -0.34 0.00 0.00 178.44 179.45 3k17 h VAL 338 N -0.06 1.04 -0.86 1.05 2.07 -0.69 -0.74 116.25 118.06 3k17 h VAL 338 Ca 0.02 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 3k17 h VAL 338 Cb 0.14 -0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 29.77 3k17 h VAL 338 CO -0.00 0.19 0.48 -1.13 0.02 0.00 0.00 177.57 177.13 3k17 h ASN 339 N 1.04 1.07 -0.56 0.57 -0.73 -0.93 -0.49 115.58 115.56 3k17 h ASN 339 Ca 0.41 -0.10 -0.07 0.00 1.87 0.00 0.00 56.30 58.41 3k17 h ASN 339 Cb 0.21 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 38.50 3k17 h ASN 339 CO -0.19 0.86 0.08 -0.33 -0.37 0.00 0.00 177.43 177.48 3k17 h GLU 340 N 1.20 0.93 -0.18 6.67 4.39 -0.71 -2.74 114.58 124.15 3k17 h GLU 340 Ca 0.30 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.75 3k17 h GLU 340 Cb 0.02 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 3k17 h GLU 340 CO -0.05 0.90 0.11 -1.49 -1.16 0.00 0.00 179.01 177.33 3k17 h TRP 341 N 0.82 0.23 -0.26 4.33 6.55 -0.62 -3.01 115.95 124.00 3k17 h TRP 341 Ca 0.17 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 60.00 3k17 h TRP 341 Cb 0.43 -0.08 -0.01 0.00 -0.86 0.00 0.00 29.16 28.64 3k17 h TRP 341 CO 0.03 0.16 0.13 0.93 -1.05 0.00 0.00 178.44 178.64 3k17 h GLU 342 N 0.23 0.35 0.00 0.49 5.08 -0.98 0.44 114.58 120.19 3k17 h GLU 342 Ca 0.07 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3k17 h GLU 342 Cb -0.01 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.17 3k17 h GLU 342 CO -0.01 0.27 0.00 0.87 -1.00 0.00 0.00 179.01 179.14 3k17 h LYS 343 N 0.36 0.00 -0.01 2.33 1.57 -1.35 -2.06 116.57 117.40 3k17 h LYS 343 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3k17 h LYS 343 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3k17 h LYS 343 CO -0.01 0.00 -0.17 1.28 -0.57 0.00 0.00 179.45 179.98 3k17 n LEU 344 N -2.44 1.56 0.00 2.94 4.77 0.12 -4.93 117.00 119.02 3k17 n LEU 344 Ca 0.02 -0.50 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 3k17 n LEU 344 Cb 0.28 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3k17 n LEU 344 CO 0.23 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 3k17 n GLY 345 N 1.30 0.60 3.74 -0.72 0.00 -0.77 -5.06 105.19 104.27 3k17 n GLY 345 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3k17 n GLY 345 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k17 s ILE 346 N -2.40 4.06 -0.24 -0.61 1.01 -1.03 -4.83 121.20 117.17 3k17 s ILE 346 Ca 0.00 1.77 -0.17 0.00 0.00 0.00 0.00 60.65 62.25 3k17 s ILE 346 Cb 0.00 -4.13 -0.03 0.00 0.01 0.00 0.00 42.46 38.31 3k17 s ILE 346 CO 0.00 0.30 0.44 -0.75 0.00 0.00 0.00 174.94 174.93 3k17 s LYS 347 N -0.27 4.10 0.16 2.79 2.20 -0.27 -3.93 119.74 124.53 3k17 s LYS 347 Ca 0.48 0.22 -0.30 0.00 -0.36 0.00 0.00 55.97 56.02 3k17 s LYS 347 Cb -0.27 -3.61 -0.08 0.00 -1.51 0.00 0.00 37.83 32.36 3k17 s LYS 347 CO 0.33 -0.22 1.19 -1.58 -0.36 0.00 0.00 175.35 174.71 3k17 s HIS 348 N 1.87 3.45 -0.51 4.03 5.65 -1.26 -0.38 115.29 128.14 3k17 s HIS 348 Ca 0.19 1.42 0.01 0.00 0.25 0.00 0.00 55.06 56.93 3k17 s HIS 348 Cb -0.15 -3.41 0.13 0.00 -1.18 0.00 0.00 32.58 27.97 3k17 s HIS 348 CO 0.09 -1.16 0.28 -0.51 -0.65 0.00 0.00 174.74 172.80 3k17 s LEU 349 N -0.05 4.84 -0.15 8.88 1.43 -0.33 -4.93 118.68 128.38 3k17 s LEU 349 Ca 0.53 -2.69 -0.42 0.00 -1.03 0.00 0.00 54.13 50.53 3k17 s LEU 349 Cb -0.32 -1.74 -0.20 0.00 0.03 0.00 0.00 46.19 43.97 3k17 s LEU 349 CO 0.35 -0.35 1.24 -2.65 0.23 0.00 0.00 176.35 175.18 3k17 n PRO 350 N 3.62 0.06 -4.62 1.29 -0.02 -1.26 -4.33 135.00 129.74 3k17 n PRO 350 Ca 0.05 0.02 -0.28 0.00 -2.02 0.00 0.00 63.50 61.27 3k17 n PRO 350 Cb 0.37 -1.53 -0.14 0.00 -0.02 0.00 0.00 33.50 32.18 3k17 n PRO 350 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3k17 s PHE 351 N 0.95 2.11 -0.24 6.00 5.36 -1.26 -4.89 117.98 126.01 3k17 s PHE 351 Ca 0.95 -0.40 -0.26 0.00 -0.96 0.00 0.00 56.93 56.27 3k17 s PHE 351 Cb -1.32 -1.22 0.07 0.00 -0.34 0.00 0.00 43.02 40.21 3k17 s PHE 351 CO 0.64 0.18 0.71 -3.38 -1.46 0.00 0.00 175.22 171.91 3k17 s HIS 352 N -0.92 -0.77 -0.09 10.12 -3.43 -1.26 -5.01 115.29 113.93 3k17 s HIS 352 Ca 0.10 1.83 -0.40 0.00 -0.80 0.00 0.00 55.06 55.80 3k17 s HIS 352 Cb -0.10 0.28 -0.18 0.00 -1.43 0.00 0.00 32.58 31.16 3k17 s HIS 352 CO 0.03 -0.40 1.39 2.41 -2.00 0.00 0.00 174.74 176.17 3k17 n THR 353 N 2.50 0.06 -2.75 -5.38 -1.04 -1.26 -2.36 114.28 104.04 3k17 n THR 353 Ca -0.15 -0.01 -0.34 0.00 -2.04 0.00 0.00 64.05 61.52 3k17 n THR 353 Cb 0.55 -0.65 -0.06 0.00 -1.82 0.00 0.00 70.33 68.35 3k17 n THR 353 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3k17 s GLY 354 N 1.31 2.47 -0.00 3.41 0.00 -0.77 -4.62 107.32 109.11 3k17 s GLY 354 Ca 0.92 0.46 0.00 0.00 0.00 0.00 0.00 44.72 46.10 3k17 s GLY 354 CO 0.58 0.77 -0.00 0.50 0.00 0.00 0.00 173.10 174.95 3k17 s ARG 355 N -3.05 0.00 0.20 2.90 1.81 -1.26 -1.17 118.95 118.39 3k17 s ARG 355 Ca 0.62 0.00 -0.31 0.00 -1.72 0.00 0.00 55.73 54.32 3k17 s ARG 355 Cb -0.12 -0.01 -0.09 0.00 -0.45 0.00 0.00 34.95 34.28 3k17 s ARG 355 CO 0.16 -0.00 1.44 0.08 -0.68 0.00 0.00 175.30 176.29 3k17 s VAL 356 N 0.01 2.85 -0.20 3.52 1.01 -1.26 -4.65 120.40 121.68 3k17 s VAL 356 Ca -0.00 0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.65 3k17 s VAL 356 Cb -0.00 -3.43 0.05 0.00 0.00 0.00 0.00 36.38 33.00 3k17 s VAL 356 CO -0.00 0.08 -0.06 -1.10 0.00 0.00 0.00 175.10 174.02 3k17 s GLN 357 N 0.23 1.61 -0.25 2.72 -0.21 -0.79 -5.00 119.66 117.96 3k17 s GLN 357 Ca 0.62 -0.76 0.02 0.00 0.02 0.00 0.00 55.36 55.26 3k17 s GLN 357 Cb -0.41 -2.32 0.05 0.00 1.00 0.00 0.00 33.01 31.33 3k17 s GLN 357 CO 0.38 -0.50 -0.10 0.42 -2.12 0.00 0.00 175.29 173.36 3k17 s ILE 358 N 1.50 2.32 -0.09 1.08 1.01 -1.26 -0.65 121.20 125.11 3k17 s ILE 358 Ca -0.02 -1.45 0.02 0.00 0.00 0.00 0.00 60.65 59.20 3k17 s ILE 358 Cb -0.17 -2.29 0.01 0.00 0.01 0.00 0.00 42.46 40.02 3k17 s ILE 358 CO -0.07 0.06 -0.16 0.42 0.00 0.00 0.00 174.94 175.19 3k17 s THR 359 N 1.17 1.44 -0.37 2.92 -4.23 -0.46 -4.99 115.64 111.12 3k17 s THR 359 Ca -0.06 -0.64 0.11 0.00 -1.18 0.00 0.00 61.69 59.93 3k17 s THR 359 Cb -0.19 -1.30 0.69 0.00 1.34 0.00 0.00 72.50 73.04 3k17 s THR 359 CO -0.06 0.43 1.55 -0.62 -0.54 0.00 0.00 174.62 175.38 3k17 n GLU 360 N 3.89 4.24 0.00 3.99 1.02 -1.26 -1.01 120.64 131.51 3k17 n GLU 360 Ca -0.21 -2.63 0.00 0.00 -0.02 0.00 0.00 57.16 54.30 3k17 n GLU 360 Cb 0.52 -2.14 0.00 0.00 -0.02 0.00 0.00 31.44 29.79 3k17 n GLU 360 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72