#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k17 n LYS 8 N 0.00 -3.46 -4.06 -3.83 2.85 -1.26 -4.93 118.16 103.46 3k17 n LYS 8 Ca 0.00 -1.00 -0.34 0.00 -1.05 0.00 0.00 58.31 55.91 3k17 n LYS 8 Cb 0.00 -2.03 -0.10 0.00 -0.65 0.00 0.00 35.03 32.24 3k17 n LYS 8 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 3k17 s LEU 9 N -7.15 3.69 -0.11 -5.58 2.96 0.77 -4.55 118.68 108.71 3k17 s LEU 9 Ca 0.67 0.02 0.01 0.00 -0.22 0.00 0.00 54.13 54.62 3k17 s LEU 9 Cb -0.20 -1.93 -0.01 0.00 0.50 0.00 0.00 46.19 44.55 3k17 s LEU 9 CO 0.62 0.16 -0.15 -1.58 -1.32 0.00 0.00 176.35 174.08 3k17 s GLN 10 N 0.45 3.19 -0.15 1.98 0.74 -0.16 0.40 119.66 126.11 3k17 s GLN 10 Ca 0.02 -0.72 0.00 0.00 0.05 0.00 0.00 55.36 54.71 3k17 s GLN 10 Cb -0.13 -2.54 0.02 0.00 1.10 0.00 0.00 33.01 31.47 3k17 s GLN 10 CO 0.01 0.27 -0.15 0.08 -0.55 0.00 0.00 175.29 174.95 3k17 s VAL 11 N 0.18 1.66 -0.26 1.34 1.01 0.61 -1.80 120.40 123.13 3k17 s VAL 11 Ca -0.09 -0.69 -0.06 0.00 0.00 0.00 0.00 61.98 61.14 3k17 s VAL 11 Cb -0.15 -1.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 3k17 s VAL 11 CO 0.05 0.47 0.05 -0.54 0.00 0.00 0.00 175.10 175.14 3k17 s LYS 12 N 1.44 3.35 -0.19 2.72 1.02 0.01 -0.99 119.74 127.10 3k17 s LYS 12 Ca 0.05 -0.67 -0.03 0.00 0.02 0.00 0.00 55.97 55.34 3k17 s LYS 12 Cb -0.13 -3.27 -0.01 0.00 -0.52 0.00 0.00 37.83 33.90 3k17 s LYS 12 CO -0.11 -0.30 -0.07 0.42 -0.92 0.00 0.00 175.35 174.37 3k17 s ILE 13 N 1.54 3.27 0.67 2.17 -1.09 -0.19 -1.84 121.20 125.73 3k17 s ILE 13 Ca 0.05 -0.55 -0.14 0.00 -2.23 0.00 0.00 60.65 57.78 3k17 s ILE 13 Cb -0.16 -2.45 0.00 0.00 -1.58 0.00 0.00 42.46 38.28 3k17 s ILE 13 CO 0.02 0.47 1.09 -2.16 -1.23 0.00 0.00 174.94 173.12 3k17 s PRO 14 N 1.03 2.82 0.79 2.79 0.04 -1.26 -0.88 135.00 140.33 3k17 s PRO 14 Ca 0.00 1.29 -0.13 0.00 0.04 0.00 0.00 61.00 62.20 3k17 s PRO 14 Cb -0.15 -1.96 0.18 0.00 0.04 0.00 0.00 34.50 32.62 3k17 s PRO 14 CO -0.01 -1.22 1.08 0.41 0.04 0.00 0.00 177.00 177.30 3k17 n GLY 15 N -0.81 -1.32 3.14 0.56 0.00 -0.06 -4.56 105.19 102.13 3k17 n GLY 15 Ca 0.10 -1.72 -0.10 0.00 0.00 0.00 0.00 46.02 44.30 3k17 n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k17 s LYS 16 N -5.35 0.75 -0.07 1.61 0.00 -0.07 -0.53 119.74 116.08 3k17 s LYS 16 Ca 0.62 -1.25 -0.03 0.00 0.00 0.00 0.00 55.97 55.31 3k17 s LYS 16 Cb -0.02 -0.11 0.04 0.00 0.00 0.00 0.00 37.83 37.74 3k17 s LYS 16 CO 0.43 -0.03 0.14 -0.51 0.00 0.00 0.00 175.35 175.38 3k17 s LEU 17 N -2.86 0.54 0.12 2.77 1.43 -0.42 -4.27 118.68 116.00 3k17 s LEU 17 Ca 0.08 0.29 -0.30 0.00 -1.03 0.00 0.00 54.13 53.17 3k17 s LEU 17 Cb 0.04 0.31 -0.06 0.00 0.03 0.00 0.00 46.19 46.51 3k17 s LEU 17 CO -0.05 -0.17 1.11 -0.31 0.23 0.00 0.00 176.35 177.15 3k17 s TYR 18 N 1.44 3.57 -0.24 0.29 2.02 -1.26 -1.97 117.35 121.21 3k17 s TYR 18 Ca -0.06 1.54 0.06 0.00 -0.37 0.00 0.00 57.07 58.24 3k17 s TYR 18 Cb -0.12 -3.29 -0.18 0.00 -0.40 0.00 0.00 41.96 37.97 3k17 s TYR 18 CO -0.06 -0.68 -0.15 0.28 -1.57 0.00 0.00 175.55 173.37 3k17 n VAL 19 N 2.97 1.42 -3.53 0.71 0.31 0.12 -4.40 118.33 115.93 3k17 n VAL 19 Ca 0.05 -0.62 -0.14 0.00 -0.01 0.00 0.00 64.34 63.61 3k17 n VAL 19 Cb 0.47 -1.16 -0.05 0.00 -0.91 0.00 0.00 33.84 32.19 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 -2.50 -1.81 0.00 3.52 0.00 -1.14 -4.96 121.76 114.87 3k17 s ALA 20 Ca -0.28 1.30 0.00 0.00 0.00 0.00 0.00 51.96 52.98 3k17 s ALA 20 Cb 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.09 3k17 s ALA 20 CO 0.64 -0.42 0.00 0.41 0.00 0.00 0.00 175.76 176.39 3k17 n GLY 21 N 0.62 0.78 3.57 0.00 0.00 -1.26 -0.42 105.19 108.48 3k17 n GLY 21 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.19 0.02 0.00 1.61 4.71 -1.26 -1.31 120.64 122.21 3k17 n GLU 22 Ca 0.00 0.07 0.00 0.00 -0.01 0.00 0.00 57.16 57.22 3k17 n GLU 22 Cb 0.00 -2.16 0.00 0.00 -1.01 0.00 0.00 31.44 28.27 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 -3.29 0.00 0.10 -0.32 4.01 -1.26 -4.19 117.16 112.21 3k17 n TYR 23 Ca 0.11 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.92 3k17 n TYR 23 Cb 0.51 0.00 0.53 0.00 -0.31 0.00 0.00 39.34 40.08 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 1.90 0.00 -0.72 0.00 -1.96 -1.79 119.26 116.69 3k17 h ALA 24 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3k17 h ALA 24 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3k17 h ALA 24 CO 0.00 0.07 0.00 -0.24 0.00 0.00 0.00 179.25 179.08 3k17 h VAL 25 N 0.29 0.00 0.00 0.00 3.04 -1.37 -1.37 116.25 116.84 3k17 h VAL 25 Ca 0.11 -0.04 -0.02 0.00 -1.01 0.00 0.00 66.70 65.74 3k17 h VAL 25 Cb 0.08 0.98 -0.00 0.00 -2.01 0.00 0.00 31.29 30.34 3k17 h VAL 25 CO -0.02 0.00 -0.09 -0.37 -1.01 0.00 0.00 177.57 176.08 3k17 h VAL 26 N 0.00 0.47 -3.55 1.51 -1.51 -1.62 -3.43 116.25 108.11 3k17 h VAL 26 Ca 0.00 -0.43 -0.52 0.00 -1.23 0.00 0.00 66.70 64.52 3k17 h VAL 26 Cb 0.04 1.29 0.01 0.00 -2.13 0.00 0.00 31.29 30.50 3k17 h VAL 26 CO 0.00 0.09 0.50 -1.61 -1.23 0.00 0.00 177.57 175.32 3k17 s GLU 27 N -4.19 4.56 0.31 5.19 0.41 -0.52 -4.79 118.70 119.67 3k17 s GLU 27 Ca -0.03 1.78 -0.28 0.00 -0.41 0.00 0.00 54.97 56.02 3k17 s GLU 27 Cb 0.13 -3.26 -0.13 0.00 -1.78 0.00 0.00 34.13 29.09 3k17 s GLU 27 CO 0.56 0.03 1.20 0.43 -0.49 0.00 0.00 175.26 176.99 3k17 n SER 28 N 2.34 2.22 0.00 -0.19 7.64 -1.26 -1.85 113.62 122.51 3k17 n SER 28 Ca 0.03 1.19 0.00 0.00 1.01 0.00 0.00 58.87 61.10 3k17 n SER 28 Cb 0.46 -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 0.25 3.90 0.23 0.00 0.12 -4.95 105.19 105.82 3k17 n GLY 29 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.53 3.47 -0.07 1.61 4.02 -0.77 -4.75 115.29 117.27 3k17 s HIS 30 Ca 0.00 0.55 0.02 0.00 1.02 0.00 0.00 55.06 56.64 3k17 s HIS 30 Cb 0.00 -2.01 -0.03 0.00 -1.02 0.00 0.00 32.58 29.53 3k17 s HIS 30 CO 0.00 0.36 -0.11 0.99 1.02 0.00 0.00 174.74 177.00 3k17 s THR 31 N -1.80 3.33 0.15 1.30 2.01 -1.26 -1.56 115.64 117.80 3k17 s THR 31 Ca 0.41 -0.61 0.05 0.00 0.31 0.00 0.00 61.69 61.85 3k17 s THR 31 Cb -0.11 -2.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.01 3k17 s THR 31 CO 0.26 0.58 -0.12 0.00 -0.69 0.00 0.00 174.62 174.66 3k17 s ALA 32 N -0.58 1.53 -0.12 7.40 0.00 0.14 -4.65 121.76 125.48 3k17 s ALA 32 Ca 0.08 -1.46 -0.03 0.00 0.00 0.00 0.00 51.96 50.55 3k17 s ALA 32 Cb -0.12 0.00 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 3k17 s ALA 32 CO 0.02 -0.03 -0.00 0.42 0.00 0.00 0.00 175.76 176.16 3k17 s ILE 33 N -3.00 4.23 0.05 0.00 -1.09 0.44 -0.08 121.20 121.74 3k17 s ILE 33 Ca 0.16 -0.26 -0.02 0.00 -2.23 0.00 0.00 60.65 58.29 3k17 s ILE 33 Cb 0.00 -2.82 -0.03 0.00 -1.58 0.00 0.00 42.46 38.03 3k17 s ILE 33 CO 0.02 0.55 0.01 -0.76 -1.23 0.00 0.00 174.94 173.53 3k17 s LEU 34 N -0.29 2.25 -0.01 2.97 1.02 -0.25 0.13 118.68 124.50 3k17 s LEU 34 Ca 0.06 -0.83 0.01 0.00 0.02 0.00 0.00 54.13 53.39 3k17 s LEU 34 Cb -0.12 0.33 0.00 0.00 0.02 0.00 0.00 46.19 46.42 3k17 s LEU 34 CO 0.02 -0.56 -0.03 0.28 0.02 0.00 0.00 176.35 176.08 3k17 s THR 35 N -3.41 0.30 0.57 5.49 -1.32 -0.83 -0.99 115.64 115.47 3k17 s THR 35 Ca 0.02 -0.14 -0.13 0.00 -1.21 0.00 0.00 61.69 60.24 3k17 s THR 35 Cb 0.04 -0.28 -0.05 0.00 -1.51 0.00 0.00 72.50 70.70 3k17 s THR 35 CO -0.08 0.10 1.00 0.00 -2.21 0.00 0.00 174.62 173.43 3k17 s ALA 36 N 0.08 3.10 0.24 11.08 0.00 -0.22 -1.31 121.76 134.74 3k17 s ALA 36 Ca -0.00 -0.01 0.10 0.00 0.00 0.00 0.00 51.96 52.05 3k17 s ALA 36 Cb -0.04 -3.07 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 3k17 s ALA 36 CO -0.00 -0.51 -0.08 0.14 0.00 0.00 0.00 175.76 175.31 3k17 s VAL 37 N -2.95 3.11 -0.59 0.00 -7.23 0.31 -1.35 120.40 111.69 3k17 s VAL 37 Ca 0.56 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.76 3k17 s VAL 37 Cb -0.11 -2.62 0.00 0.00 0.56 0.00 0.00 36.38 34.22 3k17 s VAL 37 CO 0.45 -0.30 0.46 -0.46 -0.31 0.00 0.00 175.10 174.94 3k17 n ASN 38 N -0.54 1.20 -4.34 4.85 6.94 -0.46 -3.39 115.26 119.51 3k17 n ASN 38 Ca -0.07 -1.31 -0.33 0.00 -0.02 0.00 0.00 54.58 52.85 3k17 n ASN 38 Cb 0.58 -0.33 -0.15 0.00 -2.36 0.00 0.00 39.78 37.52 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 -0.45 3.18 0.42 -3.83 3.00 -1.26 -4.99 118.95 115.02 3k17 s ARG 39 Ca 0.00 -0.75 0.05 0.00 0.00 0.00 0.00 55.73 55.04 3k17 s ARG 39 Cb 0.00 -2.50 -0.06 0.00 0.00 0.00 0.00 34.95 32.39 3k17 s ARG 39 CO 0.00 0.25 0.02 0.71 0.00 0.00 0.00 175.30 176.28 3k17 s TYR 40 N 0.22 2.30 -0.16 -0.53 2.02 -1.26 -0.89 117.35 119.05 3k17 s TYR 40 Ca -0.11 -0.78 0.01 0.00 -0.37 0.00 0.00 57.07 55.82 3k17 s TYR 40 Cb -0.16 -1.66 0.00 0.00 -0.40 0.00 0.00 41.96 39.74 3k17 s TYR 40 CO 0.06 0.33 -0.17 0.42 -1.57 0.00 0.00 175.55 174.62 3k17 s ILE 41 N -2.83 2.52 -0.22 2.71 -1.09 -0.06 -1.45 121.20 120.78 3k17 s ILE 41 Ca 0.29 -0.82 -0.04 0.00 -2.23 0.00 0.00 60.65 57.86 3k17 s ILE 41 Cb 0.08 -2.06 -0.01 0.00 -1.58 0.00 0.00 42.46 38.89 3k17 s ILE 41 CO 0.15 0.52 -0.05 -0.89 -1.23 0.00 0.00 174.94 173.44 3k17 s THR 42 N 0.89 3.34 -0.14 2.92 2.01 0.11 -1.02 115.64 123.75 3k17 s THR 42 Ca -0.04 -0.50 0.00 0.00 0.31 0.00 0.00 61.69 61.46 3k17 s THR 42 Cb -0.15 -2.52 -0.01 0.00 0.01 0.00 0.00 72.50 69.84 3k17 s THR 42 CO -0.02 0.43 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.97 3k17 s LEU 43 N 1.47 2.53 -0.22 4.42 0.20 -0.16 0.47 118.68 127.39 3k17 s LEU 43 Ca 0.06 -0.43 -0.03 0.00 0.69 0.00 0.00 54.13 54.42 3k17 s LEU 43 Cb -0.14 -1.57 -0.00 0.00 -0.43 0.00 0.00 46.19 44.05 3k17 s LEU 43 CO -0.04 0.12 -0.06 -0.89 -0.29 0.00 0.00 176.35 175.19 3k17 s THR 44 N 0.63 3.16 -0.02 3.68 2.01 0.01 -0.29 115.64 124.82 3k17 s THR 44 Ca -0.08 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 61.32 3k17 s THR 44 Cb -0.16 -2.45 -0.03 0.00 0.01 0.00 0.00 72.50 69.87 3k17 s THR 44 CO 0.03 0.41 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.12 3k17 s LEU 45 N 1.44 3.37 0.09 4.42 0.20 0.16 -1.89 118.68 126.48 3k17 s LEU 45 Ca 0.05 -0.04 -0.21 0.00 0.69 0.00 0.00 54.13 54.63 3k17 s LEU 45 Cb -0.14 -1.89 0.05 0.00 -0.43 0.00 0.00 46.19 43.77 3k17 s LEU 45 CO -0.05 0.30 0.50 -1.83 -0.29 0.00 0.00 176.35 174.99 3k17 s GLU 46 N -1.36 1.09 0.64 1.98 -1.05 -0.71 -0.16 118.70 119.14 3k17 s GLU 46 Ca 0.17 -0.42 -0.16 0.00 -0.15 0.00 0.00 54.97 54.41 3k17 s GLU 46 Cb -0.11 0.50 -0.01 0.00 -0.44 0.00 0.00 34.13 34.07 3k17 s GLU 46 CO 0.07 -0.42 1.15 -0.51 0.95 0.00 0.00 175.26 176.50 3k17 s ASP 47 N -2.37 5.04 0.37 0.83 1.01 -1.26 0.42 116.67 120.71 3k17 s ASP 47 Ca -0.02 2.16 -0.11 0.00 0.71 0.00 0.00 52.55 55.30 3k17 s ASP 47 Cb -0.00 -2.57 0.03 0.00 1.01 0.00 0.00 42.92 41.39 3k17 s ASP 47 CO -0.07 -1.68 0.66 -0.94 0.21 0.00 0.00 175.17 173.35 3k17 s SER 48 N -2.17 0.36 0.03 0.27 1.04 -1.08 -4.60 113.70 107.56 3k17 s SER 48 Ca 0.71 -1.27 -0.04 0.00 0.48 0.00 0.00 55.95 55.83 3k17 s SER 48 Cb -0.24 0.77 -0.28 0.00 0.10 0.00 0.00 66.02 66.37 3k17 s SER 48 CO 0.38 -1.53 0.97 -0.33 0.98 0.00 0.00 173.24 173.72 3k17 h GLU 49 N 2.04 0.27 -4.43 4.02 4.39 -1.95 -3.42 114.58 115.50 3k17 h GLU 49 Ca -0.30 -0.46 -0.23 0.00 0.34 0.00 0.00 59.36 58.70 3k17 h GLU 49 Cb 1.25 0.17 -0.20 0.00 -0.10 0.00 0.00 28.75 29.87 3k17 h GLU 49 CO 0.39 1.17 -0.72 -0.98 -1.16 0.00 0.00 179.01 177.71 3k17 s ARG 50 N -2.63 0.53 0.45 2.33 1.70 -1.26 -4.85 118.95 115.21 3k17 s ARG 50 Ca -0.07 -0.84 -0.25 0.00 -0.47 0.00 0.00 55.73 54.10 3k17 s ARG 50 Cb 0.07 -0.16 -0.08 0.00 -0.57 0.00 0.00 34.95 34.21 3k17 s ARG 50 CO 0.87 0.01 1.37 -0.80 -1.08 0.00 0.00 175.30 175.67 3k17 s ASN 51 N -1.86 5.96 -0.13 -2.89 0.01 -1.26 -4.40 114.94 110.37 3k17 s ASN 51 Ca -0.07 2.80 -0.06 0.00 -0.71 0.00 0.00 52.86 54.82 3k17 s ASN 51 Cb -0.07 -2.65 0.05 0.00 0.41 0.00 0.00 41.25 39.00 3k17 s ASN 51 CO -0.01 -1.10 0.30 -1.61 -1.51 0.00 0.00 177.10 173.16 3k17 s GLU 52 N -2.44 0.25 -0.18 -0.60 2.02 -0.38 -4.22 118.70 113.16 3k17 s GLU 52 Ca 0.61 0.64 0.01 0.00 0.02 0.00 0.00 54.97 56.25 3k17 s GLU 52 Cb -0.41 -0.07 0.02 0.00 0.10 0.00 0.00 34.13 33.77 3k17 s GLU 52 CO 0.52 -0.18 -0.19 -1.17 0.02 0.00 0.00 175.26 174.26 3k17 s LEU 53 N 1.48 2.17 -0.21 1.80 2.96 -0.33 -4.32 118.68 122.24 3k17 s LEU 53 Ca -0.08 -0.63 -0.01 0.00 -0.22 0.00 0.00 54.13 53.19 3k17 s LEU 53 Cb -0.10 -1.49 0.01 0.00 0.50 0.00 0.00 46.19 45.11 3k17 s LEU 53 CO -0.10 0.01 -0.11 0.26 -1.32 0.00 0.00 176.35 175.09 3k17 s TRP 54 N 1.25 2.89 0.18 5.38 0.51 -1.26 -1.96 118.94 125.93 3k17 s TRP 54 Ca 0.04 -1.31 0.11 0.00 -2.12 0.00 0.00 56.10 52.81 3k17 s TRP 54 Cb -0.13 -2.02 -0.04 0.00 -0.81 0.00 0.00 33.47 30.46 3k17 s TRP 54 CO -0.11 -0.68 -0.23 0.96 -0.51 0.00 0.00 176.95 176.38 3k17 s ILE 55 N 1.38 2.21 -0.69 2.03 -4.36 -1.26 -0.26 121.20 120.24 3k17 s ILE 55 Ca 0.05 -1.97 0.02 0.00 -0.26 0.00 0.00 60.65 58.49 3k17 s ILE 55 Cb -0.14 -2.03 0.02 0.00 1.25 0.00 0.00 42.46 41.56 3k17 s ILE 55 CO -0.08 -0.14 0.97 -2.65 0.24 0.00 0.00 174.94 173.29 3k17 n PRO 56 N 0.35 0.02 -0.02 0.37 -0.02 -1.24 -2.47 135.00 131.99 3k17 n PRO 56 Ca -0.13 0.42 0.03 0.00 -2.02 0.00 0.00 63.50 61.80 3k17 n PRO 56 Cb 0.56 -1.66 -0.13 0.00 -0.02 0.00 0.00 33.50 32.24 3k17 n PRO 56 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3k17 n HIS 57 N -1.50 0.31 -4.49 6.00 -0.00 -1.26 -4.96 115.22 109.33 3k17 n HIS 57 Ca -0.00 0.10 -0.30 0.00 0.46 0.00 0.00 57.72 57.98 3k17 n HIS 57 Cb 0.12 -0.82 -0.12 0.00 -0.12 0.00 0.00 29.99 29.05 3k17 n HIS 57 CO 0.00 0.00 0.00 0.71 0.46 0.00 0.00 176.34 177.51 3k17 s TYR 58 N -3.08 2.56 -0.05 1.57 2.02 -1.03 -5.04 117.35 114.30 3k17 s TYR 58 Ca -0.07 -0.25 -0.26 0.00 -0.37 0.00 0.00 57.07 56.12 3k17 s TYR 58 Cb 0.10 -1.42 -0.22 0.00 -0.40 0.00 0.00 41.96 40.03 3k17 s TYR 58 CO 0.85 0.32 1.11 1.49 -1.57 0.00 0.00 175.55 177.75 3k17 h GLU 59 N 4.16 0.06 -6.24 -0.62 4.81 -1.93 -3.42 114.58 111.40 3k17 h GLU 59 Ca -0.49 -0.05 -0.57 0.00 -0.13 0.00 0.00 59.36 58.12 3k17 h GLU 59 Cb 1.16 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.52 3k17 h GLU 59 CO 0.47 0.72 -0.25 -0.80 -0.73 0.00 0.00 179.01 178.42 3k17 s ASN 60 N -5.98 6.54 0.68 1.04 0.02 -1.26 -5.02 114.94 110.96 3k17 s ASN 60 Ca -0.16 0.70 -0.04 0.00 -1.02 0.00 0.00 52.86 52.33 3k17 s ASN 60 Cb 0.01 -2.13 0.08 0.00 0.02 0.00 0.00 41.25 39.22 3k17 s ASN 60 CO 0.70 0.02 0.96 -2.16 0.02 0.00 0.00 177.10 176.64 3k17 s PRO 61 N -2.67 2.05 0.18 -0.60 0.04 -1.26 -4.87 135.00 127.88 3k17 s PRO 61 Ca 0.42 -0.62 0.10 0.00 0.04 0.00 0.00 61.00 60.95 3k17 s PRO 61 Cb -0.12 -2.27 -0.04 0.00 0.04 0.00 0.00 34.50 32.10 3k17 s PRO 61 CO 0.23 -1.23 -0.18 0.14 0.04 0.00 0.00 177.00 176.00 3k17 s VAL 62 N -3.13 2.72 0.14 -0.36 -7.23 -0.83 -4.90 120.40 106.80 3k17 s VAL 62 Ca 0.62 -1.84 0.04 0.00 -1.81 0.00 0.00 61.98 58.99 3k17 s VAL 62 Cb -0.09 -2.32 -0.04 0.00 0.56 0.00 0.00 36.38 34.49 3k17 s VAL 62 CO 0.43 -0.09 -0.10 -0.55 -0.31 0.00 0.00 175.10 174.48 3k17 s SER 63 N -2.68 1.72 0.10 4.85 0.15 -1.26 -1.18 113.70 115.40 3k17 s SER 63 Ca 0.22 -1.00 -0.19 0.00 0.70 0.00 0.00 55.95 55.67 3k17 s SER 63 Cb -0.08 -0.00 0.05 0.00 -1.71 0.00 0.00 66.02 64.27 3k17 s SER 63 CO 0.12 -0.34 0.47 -1.66 1.20 0.00 0.00 173.24 173.03 3k17 s TRP 64 N -3.31 -0.34 0.33 3.44 -2.14 -1.26 -4.94 118.94 110.71 3k17 s TRP 64 Ca 0.16 0.16 -0.29 0.00 2.66 0.00 0.00 56.10 58.79 3k17 s TRP 64 Cb 0.03 0.34 -0.12 0.00 -3.10 0.00 0.00 33.47 30.62 3k17 s TRP 64 CO 0.00 -0.71 1.47 -0.35 -2.66 0.00 0.00 176.95 174.70 3k17 n PRO 65 N -0.03 2.48 -1.67 3.25 -0.04 -1.26 -4.32 135.00 133.41 3k17 n PRO 65 Ca -0.17 0.88 -0.48 0.00 -0.04 0.00 0.00 63.50 63.69 3k17 n PRO 65 Cb 0.63 -2.58 -0.05 0.00 -0.04 0.00 0.00 33.50 31.46 3k17 n PRO 65 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3k17 n ILE 66 N 1.13 0.29 -0.96 0.52 -0.00 -1.26 0.75 119.36 119.82 3k17 n ILE 66 Ca 0.06 -0.05 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 3k17 n ILE 66 Cb 0.37 -1.65 0.00 0.00 -0.00 0.00 0.00 39.64 38.36 3k17 n ILE 66 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3k17 n GLY 67 N 3.88 0.49 1.84 7.39 0.00 -1.26 -5.00 105.19 112.52 3k17 n GLY 67 Ca 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.02 2.32 3.88 -0.02 0.00 0.23 -5.04 105.19 104.53 3k17 n GLY 68 Ca 0.00 -2.20 -0.35 0.00 0.00 0.00 0.00 46.02 43.47 3k17 n GLY 68 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3k17 s GLU 69 N -3.18 3.59 -0.37 1.61 -1.05 -1.26 -4.83 118.70 113.20 3k17 s GLU 69 Ca 0.23 -0.03 -0.17 0.00 -0.15 0.00 0.00 54.97 54.85 3k17 s GLU 69 Cb -0.02 -3.12 0.00 0.00 -0.44 0.00 0.00 34.13 30.55 3k17 s GLU 69 CO 0.15 0.68 0.46 -1.17 0.95 0.00 0.00 175.26 176.33 3k17 s LEU 70 N -1.53 4.49 -0.45 1.83 2.96 -1.26 -4.68 118.68 120.04 3k17 s LEU 70 Ca 0.24 -0.24 0.08 0.00 -0.22 0.00 0.00 54.13 53.99 3k17 s LEU 70 Cb -0.13 -2.48 0.27 0.00 0.50 0.00 0.00 46.19 44.34 3k17 s LEU 70 CO 0.13 -0.48 0.61 2.29 -1.32 0.00 0.00 176.35 177.59 3k17 n LYS 71 N 5.64 1.24 -2.01 1.98 2.85 -1.26 -4.81 118.16 121.79 3k17 n LYS 71 Ca -0.06 -3.62 -0.32 0.00 -1.05 0.00 0.00 58.31 53.26 3k17 n LYS 71 Cb 0.49 -1.54 0.01 0.00 -0.65 0.00 0.00 35.03 33.34 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 -1.72 3.36 0.19 -1.58 0.04 -1.26 -5.00 135.00 129.03 3k17 s PRO 72 Ca 0.37 1.11 -0.04 0.00 0.04 0.00 0.00 61.00 62.48 3k17 s PRO 72 Cb 0.19 -2.04 0.11 0.00 0.04 0.00 0.00 34.50 32.80 3k17 s PRO 72 CO -0.09 -0.77 1.51 -0.44 0.04 0.00 0.00 177.00 177.25 3k17 h ASP 73 N 0.28 0.66 -1.91 6.66 3.32 -2.02 -3.46 116.42 119.95 3k17 h ASP 73 Ca -0.46 -0.34 -0.63 0.00 0.02 0.00 0.00 57.03 55.61 3k17 h ASP 73 Cb 1.21 -0.19 0.11 0.00 0.22 0.00 0.00 39.33 40.68 3k17 h ASP 73 CO 0.58 1.06 -0.09 0.61 -1.72 0.00 0.00 179.24 179.68 3k17 n GLY 74 N 0.22 -0.76 0.14 2.75 0.00 -1.26 -4.89 105.19 101.38 3k17 n GLY 74 Ca -0.03 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 1.74 0.00 -0.45 1.61 4.81 -2.05 -3.22 114.58 117.03 3k17 h GLU 75 Ca -0.36 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 3k17 h GLU 75 Cb 1.38 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.76 3k17 h GLU 75 CO 0.60 0.61 0.00 0.72 -0.73 0.00 0.00 179.01 180.21 3k17 n HIS 76 N -3.55 0.60 0.30 0.92 8.25 -1.26 -3.67 115.22 116.81 3k17 n HIS 76 Ca -0.00 -0.28 0.11 0.00 -0.26 0.00 0.00 57.72 57.29 3k17 n HIS 76 Cb 0.67 -0.04 -0.15 0.00 1.12 0.00 0.00 29.99 31.58 3k17 n HIS 76 CO 0.00 0.00 0.00 0.91 0.64 0.00 0.00 176.34 177.89 3k17 n TRP 77 N 0.61 0.00 -0.19 4.41 7.02 -1.22 -4.70 117.44 123.37 3k17 n TRP 77 Ca 0.13 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.49 3k17 n TRP 77 Cb 0.39 -0.35 -0.10 0.00 -2.42 0.00 0.00 31.31 28.83 3k17 n TRP 77 CO 0.00 0.00 0.00 1.15 -2.02 0.00 0.00 177.69 176.82 3k17 h THR 78 N 0.00 0.00 0.04 -0.99 2.02 -1.74 0.33 112.91 112.56 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 0.84 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 3k17 h THR 78 CO 0.00 0.00 -0.12 -0.26 0.37 0.00 0.00 175.52 175.51 3k17 h PHE 79 N -0.30 -0.30 -0.50 3.16 0.04 -1.87 0.45 116.94 117.62 3k17 h PHE 79 Ca 0.09 0.01 -0.11 0.00 2.80 0.00 0.00 57.97 60.75 3k17 h PHE 79 Cb 0.54 0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.80 3k17 h PHE 79 CO -0.79 -0.18 -0.13 1.79 -0.60 0.00 0.00 178.31 178.41 3k17 h THR 80 N -0.22 1.27 -0.41 -1.55 1.35 -1.83 -2.41 112.91 109.11 3k17 h THR 80 Ca 0.03 -1.27 -0.05 0.00 -0.55 0.00 0.00 66.41 64.58 3k17 h THR 80 Cb 0.25 1.01 -0.02 0.00 -1.73 0.00 0.00 68.15 67.67 3k17 h THR 80 CO -0.09 0.44 0.07 0.00 -0.25 0.00 0.00 175.52 175.70 3k17 h ALA 81 N 1.00 0.54 -0.95 6.62 0.00 -0.16 -1.05 119.26 125.26 3k17 h ALA 81 Ca 0.13 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.86 3k17 h ALA 81 Cb 0.67 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 3k17 h ALA 81 CO 0.05 0.25 0.62 1.49 0.00 0.00 0.00 179.25 181.66 3k17 h GLU 82 N 0.53 1.20 -0.61 0.00 4.57 -0.85 0.13 114.58 119.54 3k17 h GLU 82 Ca 0.13 -0.07 -0.04 0.00 -1.18 0.00 0.00 59.36 58.20 3k17 h GLU 82 Cb 0.36 -0.27 -0.03 0.00 -0.16 0.00 0.00 28.75 28.65 3k17 h GLU 82 CO 0.01 0.79 0.24 0.00 -1.18 0.00 0.00 179.01 178.87 3k17 h ALA 83 N 1.38 0.80 -0.57 2.92 0.00 -1.09 0.07 119.26 122.77 3k17 h ALA 83 Ca 0.37 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 3k17 h ALA 83 Cb -0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3k17 h ALA 83 CO -0.11 0.41 0.00 0.82 0.00 0.00 0.00 179.25 180.38 3k17 h ILE 84 N 0.86 1.26 -0.45 0.00 2.04 -0.37 -1.01 117.51 119.84 3k17 h ILE 84 Ca 0.20 -1.11 -0.14 0.00 1.00 0.00 0.00 64.86 64.82 3k17 h ILE 84 Cb 0.20 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 3k17 h ILE 84 CO -0.02 0.40 -0.26 0.78 0.00 0.00 0.00 178.15 179.06 3k17 h ASN 85 N 0.90 1.01 0.44 1.72 -0.26 -0.32 -0.89 115.58 118.17 3k17 h ASN 85 Ca 0.16 -0.41 -0.18 0.00 -0.56 0.00 0.00 56.30 55.31 3k17 h ASN 85 Cb 0.52 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.49 3k17 h ASN 85 CO 0.03 1.20 -0.75 -0.29 -1.06 0.00 0.00 177.43 176.56 3k17 h ILE 86 N 0.81 1.43 -0.36 2.81 2.10 -0.92 -1.90 117.51 121.48 3k17 h ILE 86 Ca 0.10 -2.29 -0.04 0.00 1.08 0.00 0.00 64.86 63.71 3k17 h ILE 86 Cb 0.84 2.22 -0.01 0.00 -1.09 0.00 0.00 36.82 38.78 3k17 h ILE 86 CO 0.07 0.67 0.07 0.00 -1.08 0.00 0.00 178.15 177.89 3k17 h ALA 87 N 1.05 0.48 -0.11 0.18 0.00 -1.06 -1.75 119.26 118.05 3k17 h ALA 87 Ca -0.03 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.70 3k17 h ALA 87 Cb 1.32 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3k17 h ALA 87 CO 0.12 0.17 0.03 1.15 0.00 0.00 0.00 179.25 180.72 3k17 h THR 88 N 0.44 0.97 -0.84 0.00 2.02 -1.05 -0.16 112.91 114.28 3k17 h THR 88 Ca 0.11 -0.03 0.01 0.00 0.77 0.00 0.00 66.41 67.27 3k17 h THR 88 Cb 0.34 0.88 -0.04 0.00 -1.74 0.00 0.00 68.15 67.58 3k17 h THR 88 CO 0.00 0.01 0.56 0.74 0.37 0.00 0.00 175.52 177.21 3k17 h THR 89 N 0.08 1.21 0.28 3.16 2.02 -1.27 -1.26 112.91 117.13 3k17 h THR 89 Ca 0.05 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 3k17 h THR 89 Cb 0.03 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.42 3k17 h THR 89 CO -0.06 0.21 -0.13 0.15 0.37 0.00 0.00 175.52 176.06 3k17 h PHE 90 N 1.13 -0.35 -0.76 3.16 3.57 -0.70 -2.26 116.94 120.73 3k17 h PHE 90 Ca 0.31 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.93 3k17 h PHE 90 Cb -0.13 0.12 -0.09 0.00 2.79 0.00 0.00 35.95 38.64 3k17 h PHE 90 CO -0.00 -0.08 0.34 -0.07 -2.23 0.00 0.00 178.31 176.27 3k17 h LEU 91 N -0.60 0.37 -1.18 0.59 3.38 -0.78 0.08 115.31 117.18 3k17 h LEU 91 Ca -0.04 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.04 3k17 h LEU 91 Cb 0.43 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 3k17 h LEU 91 CO 0.06 0.16 0.56 0.11 0.09 0.00 0.00 178.44 179.43 3k17 h LYS 92 N 0.51 1.09 0.00 1.13 1.57 -1.12 0.10 116.57 119.86 3k17 h LYS 92 Ca 0.41 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 3k17 h LYS 92 Cb 0.57 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.63 3k17 h LYS 92 CO -0.36 0.72 0.00 0.66 -0.57 0.00 0.00 179.45 179.90 3k17 h SER 93 N 1.13 0.00 -0.54 0.86 4.64 -0.38 -1.32 113.55 117.94 3k17 h SER 93 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 3k17 h SER 93 Cb -0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 3k17 h SER 93 CO -0.07 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.27 3k17 n GLU 94 N -2.80 2.49 -1.04 4.77 -0.58 0.28 -4.92 120.64 118.82 3k17 n GLU 94 Ca -0.00 -2.28 -0.02 0.00 -0.42 0.00 0.00 57.16 54.44 3k17 n GLU 94 Cb 0.19 -1.51 -0.01 0.00 -0.57 0.00 0.00 31.44 29.54 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 1.52 0.41 3.77 0.62 0.00 -0.50 -4.98 105.19 106.03 3k17 n GLY 95 Ca 0.21 -0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.68 4.25 -0.19 -0.61 -1.09 -0.68 -5.01 121.20 116.18 3k17 s ILE 96 Ca 0.00 1.82 -0.06 0.00 -2.23 0.00 0.00 60.65 60.18 3k17 s ILE 96 Cb 0.00 -4.15 -0.03 0.00 -1.58 0.00 0.00 42.46 36.70 3k17 s ILE 96 CO 0.00 0.39 0.04 -0.70 -1.23 0.00 0.00 174.94 173.44 3k17 s GLU 97 N -1.46 3.81 0.38 2.79 2.12 -1.26 -4.19 118.70 120.90 3k17 s GLU 97 Ca 0.42 -0.42 -0.24 0.00 0.36 0.00 0.00 54.97 55.09 3k17 s GLU 97 Cb -0.22 -3.17 -0.10 0.00 0.26 0.00 0.00 34.13 30.89 3k17 s GLU 97 CO 0.27 0.14 0.97 -0.51 -0.54 0.00 0.00 175.26 175.59 3k17 s LEU 98 N 0.72 4.14 0.04 2.70 1.43 -1.26 -5.08 118.68 121.37 3k17 s LEU 98 Ca 0.02 1.84 0.05 0.00 -1.03 0.00 0.00 54.13 55.01 3k17 s LEU 98 Cb -0.14 -4.25 -0.02 0.00 0.03 0.00 0.00 46.19 41.81 3k17 s LEU 98 CO 0.02 -0.29 -0.15 0.42 0.23 0.00 0.00 176.35 176.58 3k17 s THR 99 N -1.83 1.16 0.25 5.49 -4.23 -1.26 -4.63 115.64 110.58 3k17 s THR 99 Ca 0.57 -1.03 -0.30 0.00 -1.18 0.00 0.00 61.69 59.74 3k17 s THR 99 Cb -0.16 -1.05 -0.14 0.00 1.34 0.00 0.00 72.50 72.49 3k17 s THR 99 CO 0.21 0.01 1.16 -0.81 -0.54 0.00 0.00 174.62 174.65 3k17 n PRO 100 N 1.86 1.50 -3.91 3.99 -0.04 -1.26 -4.97 135.00 132.16 3k17 n PRO 100 Ca -0.18 0.53 -0.08 0.00 -0.04 0.00 0.00 63.50 63.73 3k17 n PRO 100 Cb 0.55 -2.02 -0.08 0.00 -0.04 0.00 0.00 33.50 31.91 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 -0.59 0.16 0.50 0.52 -7.23 -1.26 -2.62 120.40 109.88 3k17 s VAL 101 Ca 0.65 -1.33 0.03 0.00 -1.81 0.00 0.00 61.98 59.52 3k17 s VAL 101 Cb -0.72 -1.37 -0.01 0.00 0.56 0.00 0.00 36.38 34.84 3k17 s VAL 101 CO 0.56 -0.73 0.11 -0.75 -0.31 0.00 0.00 175.10 173.97 3k17 s LYS 102 N -3.83 2.19 0.00 4.82 2.20 0.17 -1.25 119.74 124.03 3k17 s LYS 102 Ca 0.05 -2.24 0.00 0.00 -0.36 0.00 0.00 55.97 53.42 3k17 s LYS 102 Cb 0.05 -1.71 0.00 0.00 -1.51 0.00 0.00 37.83 34.67 3k17 s LYS 102 CO -0.11 -0.37 0.00 0.28 -0.36 0.00 0.00 175.35 174.79 3k17 n VAL 104 N -1.35 0.00 -4.54 4.02 0.31 -0.79 -1.73 118.33 114.25 3k17 n VAL 104 Ca -0.13 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.87 3k17 n VAL 104 Cb 0.66 0.00 -0.12 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 3.76 0.10 2.52 1.01 0.64 -0.81 121.20 128.42 3k17 s ILE 105 Ca 0.00 -0.43 0.08 0.00 0.00 0.00 0.00 60.65 60.30 3k17 s ILE 105 Cb 0.00 -2.59 -0.03 0.00 0.01 0.00 0.00 42.46 39.85 3k17 s ILE 105 CO 0.00 0.55 -0.20 -1.61 0.00 0.00 0.00 174.94 173.68 3k17 s GLU 106 N -0.27 1.11 0.01 2.79 2.02 0.18 -3.69 118.70 120.84 3k17 s GLU 106 Ca 0.04 -1.16 0.01 0.00 0.02 0.00 0.00 54.97 53.88 3k17 s GLU 106 Cb -0.13 -1.36 -0.01 0.00 0.10 0.00 0.00 34.13 32.74 3k17 s GLU 106 CO 0.02 0.31 -0.04 -0.08 0.02 0.00 0.00 175.26 175.50 3k17 s THR 107 N -1.19 0.28 -0.30 3.63 -1.32 -1.26 0.07 115.64 115.56 3k17 s THR 107 Ca 0.06 -0.42 0.14 0.00 -1.21 0.00 0.00 61.69 60.27 3k17 s THR 107 Cb -0.10 -0.29 0.36 0.00 -1.51 0.00 0.00 72.50 70.96 3k17 s THR 107 CO 0.04 -0.09 1.27 -0.62 -2.21 0.00 0.00 174.62 173.01 3k17 n GLU 108 N 2.52 2.53 -0.25 7.08 1.02 -0.53 -4.56 120.64 128.45 3k17 n GLU 108 Ca -0.16 -2.46 0.10 0.00 -0.02 0.00 0.00 57.16 54.62 3k17 n GLU 108 Cb 0.58 -1.54 0.27 0.00 -0.02 0.00 0.00 31.44 30.72 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 -0.53 3.05 -4.39 -4.62 4.77 -1.26 -4.75 117.00 109.27 3k17 n LEU 109 Ca 0.15 -1.45 -0.31 0.00 -0.03 0.00 0.00 56.01 54.38 3k17 n LEU 109 Cb 0.66 -0.32 -0.14 0.00 -2.33 0.00 0.00 43.42 41.29 3k17 n LEU 109 CO 0.08 0.72 -0.53 0.27 -1.33 0.00 0.00 177.39 176.61 3k17 s ILE 110 N -1.35 2.46 0.83 -0.08 -4.36 -1.26 -1.63 121.20 115.81 3k17 s ILE 110 Ca 0.39 -1.16 -0.12 0.00 -0.26 0.00 0.00 60.65 59.50 3k17 s ILE 110 Cb 0.21 -1.96 0.09 0.00 1.25 0.00 0.00 42.46 42.04 3k17 s ILE 110 CO 0.28 0.44 1.11 -0.62 0.24 0.00 0.00 174.94 176.40 3k17 s ASP 111 N -1.07 4.24 0.00 4.36 2.15 0.21 -4.85 116.67 121.71 3k17 s ASP 111 Ca 0.12 1.17 0.00 0.00 0.43 0.00 0.00 52.55 54.27 3k17 s ASP 111 Cb -0.10 -1.85 0.00 0.00 -0.30 0.00 0.00 42.92 40.67 3k17 s ASP 111 CO 0.02 -2.12 0.18 0.00 -0.17 0.00 0.00 175.17 173.09 3k17 n GLN 112 N -3.51 0.29 -0.10 4.34 3.00 -1.26 -0.87 117.38 119.27 3k17 n GLN 112 Ca 0.07 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.09 3k17 n GLN 112 Cb 0.57 -1.11 0.05 0.00 0.00 0.00 0.00 30.24 29.75 3k17 n GLN 112 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 3k17 n SER 113 N 0.15 1.52 -0.26 1.08 3.41 -1.26 -4.96 113.62 113.29 3k17 n SER 113 Ca 0.00 -2.24 -0.03 0.00 -0.26 0.00 0.00 58.87 56.34 3k17 n SER 113 Cb 0.06 -0.18 -0.01 0.00 -0.26 0.00 0.00 64.21 63.81 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 -0.68 0.53 3.72 5.00 0.00 -0.05 -4.98 105.19 108.74 3k17 n GLY 114 Ca 0.06 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.72 3.66 0.22 4.61 0.00 -1.25 -4.84 121.76 122.45 3k17 s ALA 115 Ca 0.00 -0.65 -0.30 0.00 0.00 0.00 0.00 51.96 51.00 3k17 s ALA 115 Cb 0.00 -2.23 -0.10 0.00 0.00 0.00 0.00 23.12 20.80 3k17 s ALA 115 CO 0.00 0.12 1.40 0.15 0.00 0.00 0.00 175.76 177.44 3k17 s LYS 116 N 0.43 4.30 0.43 0.00 1.02 -1.26 0.66 119.74 125.32 3k17 s LYS 116 Ca 0.10 2.22 0.20 0.00 0.02 0.00 0.00 55.97 58.50 3k17 s LYS 116 Cb -0.12 -3.14 0.97 0.00 -0.52 0.00 0.00 37.83 35.02 3k17 s LYS 116 CO -0.00 -0.38 1.89 1.88 -0.92 0.00 0.00 175.35 177.81 3k17 h TYR 117 N 5.33 0.00 -0.15 3.18 0.05 -1.66 -3.44 116.97 120.28 3k17 h TYR 117 Ca -0.45 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.33 3k17 h TYR 117 Cb 1.22 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.96 3k17 h TYR 117 CO 0.61 0.27 0.00 0.41 -1.05 0.00 0.00 178.16 178.40 3k17 n GLY 118 N -0.33 0.91 1.71 3.88 0.00 -1.26 -3.49 105.19 106.62 3k17 n GLY 118 Ca -0.01 -0.08 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.07 5.50 -1.93 0.99 4.77 -1.26 -4.74 117.00 120.25 3k17 n LEU 119 Ca 0.00 -3.55 -0.06 0.00 -0.03 0.00 0.00 56.01 52.37 3k17 n LEU 119 Cb 0.06 -0.73 0.03 0.00 -2.33 0.00 0.00 43.42 40.46 3k17 n LEU 119 CO 0.00 1.05 0.03 0.61 -1.33 0.00 0.00 177.39 177.75 3k17 n GLY 120 N -0.90 0.15 0.27 -0.72 0.00 -1.26 -0.89 105.19 101.85 3k17 n GLY 120 Ca 0.44 -0.21 -0.05 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.63 0.80 -0.41 1.61 0.02 -1.94 -1.35 113.55 111.65 3k17 h SER 121 Ca -0.21 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 60.65 3k17 h SER 121 Cb 1.12 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.44 3k17 h SER 121 CO 0.18 0.58 0.06 0.77 -1.14 0.00 0.00 176.83 177.28 3k17 h SER 122 N 0.94 0.72 -0.07 3.07 4.64 -2.00 -2.23 113.55 118.63 3k17 h SER 122 Ca 0.25 -0.14 -0.05 0.00 -0.47 0.00 0.00 61.79 61.39 3k17 h SER 122 Cb -0.11 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 61.79 3k17 h SER 122 CO -0.05 0.75 -0.13 0.00 -0.87 0.00 0.00 176.83 176.52 3k17 h ALA 123 N 1.34 0.11 -0.46 5.18 0.00 -1.85 -2.54 119.26 121.05 3k17 h ALA 123 Ca 0.15 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.74 3k17 h ALA 123 Cb 0.35 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3k17 h ALA 123 CO 0.01 -0.00 0.28 0.00 0.00 0.00 0.00 179.25 179.54 3k17 h ALA 124 N 0.49 0.59 -0.59 0.00 0.00 -1.21 0.79 119.26 119.34 3k17 h ALA 124 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3k17 h ALA 124 Cb 0.71 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3k17 h ALA 124 CO 0.03 -0.02 0.38 0.00 0.00 0.00 0.00 179.25 179.63 3k17 h ALA 125 N 1.20 0.74 -0.29 0.00 0.00 -1.47 0.35 119.26 119.79 3k17 h ALA 125 Ca 0.18 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3k17 h ALA 125 Cb -0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3k17 h ALA 125 CO -0.07 0.20 0.18 1.15 0.00 0.00 0.00 179.25 180.70 3k17 h THR 126 N 0.79 1.10 -0.72 0.00 2.02 -0.98 -1.50 112.91 113.62 3k17 h THR 126 Ca 0.21 -0.24 -0.05 0.00 0.77 0.00 0.00 66.41 67.11 3k17 h THR 126 Cb -0.06 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 3k17 h THR 126 CO -0.04 0.10 0.26 0.58 0.37 0.00 0.00 175.52 176.79 3k17 h VAL 127 N 0.37 1.25 -0.19 3.16 2.07 -0.38 -2.21 116.25 120.32 3k17 h VAL 127 Ca 0.10 -0.83 0.02 0.00 0.82 0.00 0.00 66.70 66.82 3k17 h VAL 127 Cb 0.01 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 3k17 h VAL 127 CO -0.02 0.33 0.07 0.00 0.02 0.00 0.00 177.57 177.97 3k17 h ALA 128 N 1.13 0.21 -0.25 1.67 0.00 0.08 -0.76 119.26 121.34 3k17 h ALA 128 Ca 0.24 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3k17 h ALA 128 Cb 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3k17 h ALA 128 CO -0.02 -0.36 0.16 0.28 0.00 0.00 0.00 179.25 179.32 3k17 h VAL 129 N 0.16 1.06 -0.27 0.00 2.07 -1.14 0.13 116.25 118.26 3k17 h VAL 129 Ca 0.08 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 3k17 h VAL 129 Cb 0.05 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 3k17 h VAL 129 CO -0.08 0.06 0.16 0.40 0.02 0.00 0.00 177.57 178.13 3k17 h ILE 130 N 0.33 1.10 -0.47 4.57 1.08 -1.17 -1.43 117.51 121.51 3k17 h ILE 130 Ca 0.09 -0.22 -0.02 0.00 -0.39 0.00 0.00 64.86 64.32 3k17 h ILE 130 Cb -0.03 0.76 -0.02 0.00 -3.07 0.00 0.00 36.82 34.46 3k17 h ILE 130 CO -0.02 0.09 0.23 0.78 -0.69 0.00 0.00 178.15 178.54 3k17 h ASN 131 N 0.34 0.61 0.45 1.72 2.35 -0.99 -3.20 115.58 116.87 3k17 h ASN 131 Ca 0.10 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 3k17 h ASN 131 Cb 0.01 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 3k17 h ASN 131 CO -0.02 0.56 -0.30 0.00 -1.65 0.00 0.00 177.43 176.02 3k17 h ALA 132 N 1.08 -0.73 0.00 -0.83 0.00 -0.74 0.57 119.26 118.60 3k17 h ALA 132 Ca 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3k17 h ALA 132 Cb 0.11 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3k17 h ALA 132 CO -0.02 -0.93 0.00 1.28 0.00 0.00 0.00 179.25 179.58 3k17 n LEU 133 N -5.43 0.43 0.00 0.00 4.77 -0.56 -1.59 117.00 114.62 3k17 n LEU 133 Ca -0.11 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 3k17 n LEU 133 Cb 0.33 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3k17 n LEU 133 CO 0.33 0.08 0.00 0.41 -1.33 0.00 0.00 177.39 176.88 3k17 n THR 135 N 0.66 0.00 -0.11 -5.08 -1.04 0.19 -1.01 114.28 107.90 3k17 n THR 135 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 3k17 n THR 135 Cb 0.08 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 68.61 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 0.87 0.00 -2.82 1.63 -1.52 -3.32 116.57 111.41 3k17 h LYS 136 Ca 0.00 -0.42 0.00 0.00 -0.85 0.00 0.00 60.65 59.38 3k17 h LYS 136 Cb 0.00 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.62 3k17 h LYS 136 CO 0.00 1.06 -0.99 1.19 -3.45 0.00 0.00 179.45 177.26 3k17 n PHE 137 N -4.07 0.00 -2.72 1.91 3.72 -0.18 -4.87 117.46 111.25 3k17 n PHE 137 Ca -0.01 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.31 3k17 n PHE 137 Cb 0.50 -0.12 0.09 0.00 -0.94 0.00 0.00 39.48 39.02 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 -1.56 -2.55 0.27 1.38 9.36 -1.26 -5.00 117.16 117.81 3k17 n TYR 138 Ca -0.00 -1.94 0.17 0.00 3.32 0.00 0.00 57.90 59.44 3k17 n TYR 138 Cb 0.20 1.58 0.80 0.00 -0.63 0.00 0.00 39.34 41.29 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 2.88 0.00 0.00 2.98 0.13 -1.90 -2.26 132.00 133.83 3k17 h PRO 139 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 3k17 h PRO 139 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3k17 h PRO 139 CO 0.11 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.03 3k17 n GLU 140 N -3.12 0.16 -1.75 0.86 0.28 -1.26 -4.84 120.64 110.97 3k17 n GLU 140 Ca 0.00 0.33 -0.42 0.00 -0.16 0.00 0.00 57.16 56.92 3k17 n GLU 140 Cb 0.44 -1.77 -0.01 0.00 1.43 0.00 0.00 31.44 31.52 3k17 n GLU 140 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 177.13 178.48 3k17 n ILE 141 N -2.07 1.43 0.00 3.84 3.06 -0.85 -5.18 119.36 119.58 3k17 n ILE 141 Ca 0.03 -0.36 0.00 0.00 -2.50 0.00 0.00 62.75 59.92 3k17 n ILE 141 Cb 0.26 -1.92 0.00 0.00 0.54 0.00 0.00 39.64 38.52 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 1.46 0.00 0.00 9.51 3.41 -1.26 -4.92 113.62 121.82 3k17 n SER 142 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 3k17 n SER 142 Cb 0.37 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 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 -0.11 1.04 7.94 -1.26 -2.52 117.00 122.09 3k17 n LEU 144 Ca 0.00 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.85 3k17 n LEU 144 Cb 0.00 0.00 0.16 0.00 0.53 0.00 0.00 43.42 44.11 3k17 n LEU 144 CO 0.00 0.00 0.87 0.11 -1.11 0.00 0.00 177.39 177.26 3k17 h LYS 145 N 0.00 0.80 -0.52 1.96 1.57 -1.99 -0.05 116.57 118.33 3k17 h LYS 145 Ca 0.00 -0.22 -0.09 0.00 -1.87 0.00 0.00 60.65 58.47 3k17 h LYS 145 Cb 0.00 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 3k17 h LYS 145 CO 0.00 0.81 -0.05 0.87 -0.57 0.00 0.00 179.45 180.51 3k17 h LYS 146 N 0.74 0.92 -0.63 3.15 1.57 -1.84 -1.05 116.57 119.42 3k17 h LYS 146 Ca 0.14 -0.29 -0.03 0.00 -1.87 0.00 0.00 60.65 58.60 3k17 h LYS 146 Cb 0.46 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 3k17 h LYS 146 CO 0.02 0.94 0.26 0.35 -0.57 0.00 0.00 179.45 180.45 3k17 h PHE 147 N 0.84 0.96 -0.19 -1.35 3.57 -1.70 -1.44 116.94 117.62 3k17 h PHE 147 Ca 0.15 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.58 3k17 h PHE 147 Cb 0.56 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 3k17 h PHE 147 CO 0.03 0.75 0.12 0.87 -2.23 0.00 0.00 178.31 177.86 3k17 h LYS 148 N 0.89 0.25 -0.24 1.11 1.57 -0.51 0.38 116.57 120.02 3k17 h LYS 148 Ca 0.21 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.01 3k17 h LYS 148 Cb 0.19 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 3k17 h LYS 148 CO -0.02 0.16 0.05 -0.07 -0.57 0.00 0.00 179.45 179.00 3k17 h LEU 149 N 0.25 0.02 -0.88 2.94 3.38 -1.03 -0.81 115.31 119.18 3k17 h LEU 149 Ca 0.07 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 3k17 h LEU 149 Cb -0.03 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 3k17 h LEU 149 CO -0.02 0.04 0.34 0.00 0.09 0.00 0.00 178.44 178.90 3k17 h ALA 150 N 1.17 1.11 -0.09 1.53 0.00 -0.94 -1.90 119.26 120.15 3k17 h ALA 150 Ca 0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3k17 h ALA 150 Cb 0.10 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3k17 h ALA 150 CO -0.14 0.65 0.02 0.00 0.00 0.00 0.00 179.25 179.78 3k17 h ALA 151 N 1.23 0.12 -0.70 0.00 0.00 0.29 -1.01 119.26 119.19 3k17 h ALA 151 Ca 0.27 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3k17 h ALA 151 Cb 0.17 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3k17 h ALA 151 CO -0.03 -0.26 0.41 -0.07 0.00 0.00 0.00 179.25 179.31 3k17 h LEU 152 N -0.06 0.85 0.62 0.00 3.38 -1.10 0.20 115.31 119.20 3k17 h LEU 152 Ca 0.03 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3k17 h LEU 152 Cb 0.24 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 40.78 3k17 h LEU 152 CO -0.00 0.67 -0.30 -1.28 0.09 0.00 0.00 178.44 177.63 3k17 h SER 153 N 0.96 -0.70 -0.73 -0.43 0.87 -1.23 -2.53 113.55 109.75 3k17 h SER 153 Ca 0.25 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.82 3k17 h SER 153 Cb -0.01 0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 62.10 3k17 h SER 153 CO -0.04 -0.46 0.47 -0.74 -0.53 0.00 0.00 176.83 175.53 3k17 h HIS 154 N -0.90 0.92 -0.11 2.24 -0.00 -1.08 -2.89 115.15 113.34 3k17 h HIS 154 Ca -0.08 0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.35 3k17 h HIS 154 Cb 0.66 -0.31 -0.06 0.00 -0.00 0.00 0.00 27.41 27.70 3k17 h HIS 154 CO -0.02 0.59 -0.27 1.25 -0.00 0.00 0.00 177.93 179.48 3k17 h LEU 155 N 0.99 -0.81 -1.04 0.26 5.85 -0.52 0.24 115.31 120.27 3k17 h LEU 155 Ca 0.26 0.12 -0.07 0.00 0.84 0.00 0.00 57.88 59.04 3k17 h LEU 155 Cb -0.10 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 3k17 h LEU 155 CO -0.06 -0.32 -0.34 -0.37 -0.34 0.00 0.00 178.44 177.01 3k17 h VAL 156 N -0.35 0.86 0.02 1.05 -1.51 -1.40 -0.82 116.25 114.10 3k17 h VAL 156 Ca 0.09 -1.40 -0.05 0.00 -1.23 0.00 0.00 66.70 64.12 3k17 h VAL 156 Cb 0.49 1.85 0.00 0.00 -2.13 0.00 0.00 31.29 31.50 3k17 h VAL 156 CO -0.30 0.34 -0.24 0.58 -1.23 0.00 0.00 177.57 176.71 3k17 h VAL 157 N 0.00 1.68 -0.57 7.19 2.07 -1.25 -3.34 116.25 122.04 3k17 h VAL 157 Ca -0.00 -2.37 -0.06 0.00 0.82 0.00 0.00 66.70 65.09 3k17 h VAL 157 Cb 0.83 3.27 -0.02 0.00 -1.52 0.00 0.00 31.29 33.84 3k17 h VAL 157 CO 0.04 0.61 0.10 -0.61 0.02 0.00 0.00 177.57 177.73 3k17 h GLN 158 N -0.89 0.90 0.00 1.57 5.75 -0.56 -3.46 115.11 118.41 3k17 h GLN 158 Ca -0.05 -0.21 0.00 0.00 -0.15 0.00 0.00 58.65 58.24 3k17 h GLN 158 Cb 1.14 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 29.56 3k17 h GLN 158 CO 0.01 0.83 0.00 0.41 -2.65 0.00 0.00 178.83 177.43 3k17 n GLY 159 N -0.75 1.55 0.00 2.39 0.00 -0.32 -4.93 105.19 103.14 3k17 n GLY 159 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 0.00 1.61 0.23 -1.25 -5.04 115.26 110.81 3k17 n ASN 160 Ca 0.00 -0.89 0.00 0.00 -0.53 0.00 0.00 54.58 53.16 3k17 n ASN 160 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 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 0.00 2.22 0.12 4.83 0.00 -1.26 -4.79 105.19 106.31 3k17 n GLY 161 Ca 0.00 -1.77 0.08 0.00 0.00 0.00 0.00 46.02 44.33 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 -0.02 1.61 4.64 -1.86 -3.48 113.55 114.43 3k17 h SER 162 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3k17 h SER 162 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3k17 h SER 162 CO 0.00 0.18 -0.01 0.00 -0.87 0.00 0.00 176.83 176.13 3k17 h GLY 164 N 0.00 0.00 1.08 0.00 0.00 -1.95 -1.28 103.07 100.92 3k17 h GLY 164 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.15 3k17 h GLY 164 CO 0.01 0.00 -0.52 1.29 0.00 0.00 0.00 176.54 177.32 3k17 h ASP 165 N 0.00 0.89 -0.01 0.19 2.03 -1.99 -1.88 116.42 115.64 3k17 h ASP 165 Ca -0.00 -0.55 0.00 0.00 -0.73 0.00 0.00 57.03 55.75 3k17 h ASP 165 Cb 0.62 -0.26 -0.00 0.00 -0.83 0.00 0.00 39.33 38.86 3k17 h ASP 165 CO 0.04 1.27 -0.01 0.40 -1.03 0.00 0.00 179.24 179.91 3k17 h ILE 166 N 0.54 0.97 -0.62 4.15 1.08 -1.73 -1.53 117.51 120.37 3k17 h ILE 166 Ca 0.00 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.55 3k17 h ILE 166 Cb 1.13 0.97 -0.06 0.00 -3.07 0.00 0.00 36.82 35.79 3k17 h ILE 166 CO 0.12 0.00 0.29 0.00 -0.69 0.00 0.00 178.15 177.86 3k17 h ALA 167 N 0.99 0.82 -0.38 1.87 0.00 -1.20 -2.76 119.26 118.61 3k17 h ALA 167 Ca 0.01 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3k17 h ALA 167 Cb 0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3k17 h ALA 167 CO -0.02 -0.10 0.11 1.03 0.00 0.00 0.00 179.25 180.28 3k17 h SER 168 N 0.52 0.55 0.00 0.00 0.87 -0.99 -0.79 113.55 113.71 3k17 h SER 168 Ca 0.30 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 3k17 h SER 168 Cb 0.29 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 3k17 h SER 168 CO -0.25 0.62 0.00 0.00 -0.53 0.00 0.00 176.83 176.67 3k17 n TYR 171 N 0.67 0.00 -3.07 0.00 4.02 -0.30 -4.49 117.16 113.99 3k17 n TYR 171 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.99 3k17 n TYR 171 Cb 0.23 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.53 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 -0.36 -1.49 7.00 2.72 0.00 0.20 -4.80 105.19 108.47 3k17 n GLY 172 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.11 0.39 3.56 -0.02 0.00 -0.64 -4.69 105.19 101.68 3k17 n GLY 173 Ca 0.00 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 44.84 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 3.02 0.05 1.61 0.52 -1.26 -1.05 118.94 121.83 3k17 s TRP 174 Ca 0.00 -0.10 -0.05 0.00 0.02 0.00 0.00 56.10 55.97 3k17 s TRP 174 Cb 0.00 -1.85 -0.01 0.00 -1.15 0.00 0.00 33.47 30.46 3k17 s TRP 174 CO 0.00 0.18 0.09 0.96 0.02 0.00 0.00 176.95 178.20 3k17 s ILE 175 N -0.26 0.15 -0.30 2.03 -4.36 -0.16 -0.88 121.20 117.42 3k17 s ILE 175 Ca 0.04 -1.23 -0.06 0.00 -0.26 0.00 0.00 60.65 59.15 3k17 s ILE 175 Cb -0.13 -1.07 0.02 0.00 1.25 0.00 0.00 42.46 42.54 3k17 s ILE 175 CO 0.02 -0.68 0.06 0.00 0.24 0.00 0.00 174.94 174.59 3k17 s ALA 176 N -3.03 2.99 -0.21 2.27 0.00 -0.32 -1.09 121.76 122.36 3k17 s ALA 176 Ca -0.01 -1.58 -0.09 0.00 0.00 0.00 0.00 51.96 50.28 3k17 s ALA 176 Cb 0.01 -2.11 -0.05 0.00 0.00 0.00 0.00 23.12 20.98 3k17 s ALA 176 CO -0.07 -1.07 0.12 -0.47 0.00 0.00 0.00 175.76 174.27 3k17 s TYR 177 N 1.42 3.32 -0.24 0.00 5.04 0.88 -1.40 117.35 126.38 3k17 s TYR 177 Ca 0.00 0.20 -0.03 0.00 -2.44 0.00 0.00 57.07 54.80 3k17 s TYR 177 Cb -0.18 -2.18 0.02 0.00 0.35 0.00 0.00 41.96 39.96 3k17 s TYR 177 CO 0.01 0.15 -0.05 0.99 -1.34 0.00 0.00 175.55 175.32 3k17 s THR 178 N 0.65 3.07 0.24 4.34 2.01 0.59 -0.68 115.64 125.87 3k17 s THR 178 Ca 0.07 -0.86 -0.31 0.00 0.31 0.00 0.00 61.69 60.89 3k17 s THR 178 Cb -0.12 -2.51 -0.12 0.00 0.01 0.00 0.00 72.50 69.75 3k17 s THR 178 CO 0.01 0.25 1.61 0.41 -0.69 0.00 0.00 174.62 176.22 3k17 n THR 179 N 4.72 0.57 -0.91 -0.82 -1.04 -0.60 -1.60 114.28 114.60 3k17 n THR 179 Ca -0.17 -0.14 -0.28 0.00 -2.04 0.00 0.00 64.05 61.41 3k17 n THR 179 Cb 0.48 -1.86 0.21 0.00 -1.82 0.00 0.00 70.33 67.33 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 0.47 1.79 -0.65 -1.42 -0.12 -1.26 0.10 117.98 116.89 3k17 s PHE 180 Ca 0.70 1.07 -0.26 0.00 -0.05 0.00 0.00 56.93 58.38 3k17 s PHE 180 Cb -0.54 -3.19 -0.02 0.00 -0.63 0.00 0.00 43.02 38.64 3k17 s PHE 180 CO 0.42 -3.31 1.81 0.34 -0.05 0.00 0.00 175.22 174.43 3k17 s ASP 181 N -3.07 5.36 0.17 1.98 -1.08 -0.73 -4.07 116.67 115.23 3k17 s ASP 181 Ca 0.67 0.17 -0.17 0.00 -0.52 0.00 0.00 52.55 52.69 3k17 s ASP 181 Cb -0.21 -2.54 0.11 0.00 -1.46 0.00 0.00 42.92 38.82 3k17 s ASP 181 CO 0.60 -2.34 1.66 1.56 0.52 0.00 0.00 175.17 177.17 3k17 h GLN 182 N 14.16 -0.03 -0.60 4.34 1.08 -1.92 -2.15 115.11 129.99 3k17 h GLN 182 Ca -0.23 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 56.87 3k17 h GLN 182 Cb 1.14 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.55 3k17 h GLN 182 CO 1.23 -0.02 -0.03 0.93 -0.95 0.00 0.00 178.83 179.98 3k17 h GLU 183 N -0.03 1.08 -0.53 1.46 5.08 -1.99 -1.81 114.58 117.83 3k17 h GLU 183 Ca 0.20 -0.36 0.06 0.00 -1.00 0.00 0.00 59.36 58.27 3k17 h GLU 183 Cb 0.34 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.45 3k17 h GLU 183 CO -0.44 1.06 0.23 2.35 -1.00 0.00 0.00 179.01 181.21 3k17 h TRP 184 N 0.97 0.41 0.20 4.33 7.01 -1.87 -0.63 115.95 126.37 3k17 h TRP 184 Ca 0.16 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.18 3k17 h TRP 184 Cb 0.60 -0.10 0.00 0.00 -2.10 0.00 0.00 29.16 27.56 3k17 h TRP 184 CO 0.04 0.16 -0.10 0.28 -2.79 0.00 0.00 178.44 176.03 3k17 h VAL 185 N 0.43 0.87 -0.65 2.65 2.07 -1.23 -2.98 116.25 117.42 3k17 h VAL 185 Ca 0.25 -0.81 0.05 0.00 0.82 0.00 0.00 66.70 67.01 3k17 h VAL 185 Cb 0.23 1.32 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 3k17 h VAL 185 CO -0.22 0.17 0.37 0.11 0.02 0.00 0.00 177.57 178.02 3k17 h LYS 186 N -0.70 0.67 -0.56 1.57 1.57 -1.23 -1.76 116.57 116.11 3k17 h LYS 186 Ca -0.03 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3k17 h LYS 186 Cb 0.49 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 3k17 h LYS 186 CO 0.05 0.44 0.35 0.45 -0.57 0.00 0.00 179.45 180.17 3k17 h HIS 187 N 0.69 0.73 0.00 -1.35 3.86 -1.21 -2.71 115.15 115.15 3k17 h HIS 187 Ca 0.29 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.50 3k17 h HIS 187 Cb 0.16 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.39 3k17 h HIS 187 CO -0.08 0.49 0.00 0.00 0.86 0.00 0.00 177.93 179.20 3k17 h ARG 188 N 0.76 0.00 0.00 2.45 3.08 -1.24 -2.97 114.38 116.46 3k17 h ARG 188 Ca 0.20 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.25 3k17 h ARG 188 Cb -0.04 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 3k17 h ARG 188 CO -0.04 0.00 -0.01 -0.07 -1.07 0.00 0.00 179.97 178.78 3k17 h LEU 189 N 0.00 0.00 0.00 3.04 3.38 -1.00 0.20 115.31 120.93 3k17 h LEU 189 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3k17 h LEU 189 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3k17 h LEU 189 CO 0.00 0.01 -0.11 0.00 0.09 0.00 0.00 178.44 178.43 3k17 h ALA 190 N 1.99 0.94 0.00 1.53 0.00 -1.67 -3.39 119.26 118.67 3k17 h ALA 190 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3k17 h ALA 190 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3k17 h ALA 190 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 179.25 181.73 3k17 n TYR 191 N -2.99 0.00 -4.50 0.00 0.18 -0.86 -5.08 117.16 103.91 3k17 n TYR 191 Ca 0.04 -0.04 -0.29 0.00 1.88 0.00 0.00 57.90 59.48 3k17 n TYR 191 Cb 0.52 -0.00 -0.13 0.00 -0.38 0.00 0.00 39.34 39.35 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 -0.08 1.55 0.70 -3.48 -0.14 0.00 -5.10 119.74 113.19 3k17 s LYS 192 Ca 0.00 -1.27 -0.10 0.00 -1.36 0.00 0.00 55.97 53.25 3k17 s LYS 192 Cb 0.00 -1.95 0.03 0.00 -1.68 0.00 0.00 37.83 34.23 3k17 s LYS 192 CO 0.00 0.47 1.05 -1.54 -0.76 0.00 0.00 175.35 174.57 3k17 s SER 193 N -1.87 5.24 0.16 2.83 1.04 -1.26 -4.75 113.70 115.09 3k17 s SER 193 Ca 0.14 0.89 -0.14 0.00 0.48 0.00 0.00 55.95 57.32 3k17 s SER 193 Cb -0.10 -1.66 0.04 0.00 0.10 0.00 0.00 66.02 64.40 3k17 s SER 193 CO 0.06 -1.41 1.73 0.25 0.98 0.00 0.00 173.24 174.85 3k17 h LEU 194 N -0.60 0.68 -1.67 2.42 5.85 -1.98 -2.18 115.31 117.83 3k17 h LEU 194 Ca -0.45 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.13 3k17 h LEU 194 Cb 1.28 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 3k17 h LEU 194 CO 0.63 0.64 0.20 1.05 -0.34 0.00 0.00 178.44 180.62 3k17 h GLU 195 N 0.68 0.42 -0.40 1.25 9.09 -1.96 -1.39 114.58 122.28 3k17 h GLU 195 Ca 0.17 -0.03 -0.06 0.00 0.05 0.00 0.00 59.36 59.50 3k17 h GLU 195 Cb 0.15 -0.09 -0.01 0.00 -1.65 0.00 0.00 28.75 27.14 3k17 h GLU 195 CO -0.02 0.29 0.01 2.35 0.05 0.00 0.00 179.01 181.69 3k17 h TRP 196 N 0.44 0.76 0.00 2.06 7.01 -1.79 -2.52 115.95 121.91 3k17 h TRP 196 Ca 0.12 -0.13 0.00 0.00 2.11 0.00 0.00 58.89 60.99 3k17 h TRP 196 Cb -0.04 -0.20 0.00 0.00 -2.10 0.00 0.00 29.16 26.82 3k17 h TRP 196 CO 0.00 0.77 0.00 1.19 -2.79 0.00 0.00 178.44 177.61 3k17 n PHE 197 N -4.46 0.00 0.00 2.65 3.72 -0.52 -1.32 117.46 117.53 3k17 n PHE 197 Ca -0.01 -0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 3k17 n PHE 197 Cb 0.28 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 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 0.90 0.00 -3.07 -1.08 5.02 -0.95 -4.84 118.16 114.14 3k17 n LYS 199 Ca 0.00 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.92 3k17 n LYS 199 Cb 0.02 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.97 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 4.33 0.09 1.97 2.56 -0.44 -5.03 118.70 122.19 3k17 s GLU 200 Ca 0.00 0.94 -0.30 0.00 0.00 0.00 0.00 54.97 55.61 3k17 s GLU 200 Cb 0.00 -2.99 -0.06 0.00 2.00 0.00 0.00 34.13 33.08 3k17 s GLU 200 CO 0.00 0.45 1.10 -2.14 -0.56 0.00 0.00 175.26 174.11 3k17 s PRO 201 N -1.72 4.53 -0.11 4.30 0.02 -1.26 -5.00 135.00 135.75 3k17 s PRO 201 Ca 0.41 1.66 -0.21 0.00 0.02 0.00 0.00 61.00 62.87 3k17 s PRO 201 Cb -0.18 -3.35 -0.04 0.00 0.02 0.00 0.00 34.50 30.95 3k17 s PRO 201 CO 0.22 -0.07 0.61 -1.58 -0.33 0.00 0.00 177.00 175.85 3k17 s TRP 202 N 0.52 3.51 -1.13 6.54 0.52 -1.26 -5.13 118.94 122.52 3k17 s TRP 202 Ca 0.53 1.05 -0.12 0.00 0.02 0.00 0.00 56.10 57.59 3k17 s TRP 202 Cb -0.27 -2.72 -0.07 0.00 -1.15 0.00 0.00 33.47 29.26 3k17 s TRP 202 CO 0.31 0.05 2.28 -0.35 0.02 0.00 0.00 176.95 179.26 3k17 n PRO 203 N 4.04 2.43 0.00 4.98 -0.04 -1.26 -4.95 135.00 140.21 3k17 n PRO 203 Ca -0.03 -1.90 0.00 0.00 -0.04 0.00 0.00 63.50 61.53 3k17 n PRO 203 Cb 0.51 -2.77 0.00 0.00 -0.04 0.00 0.00 33.50 31.20 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 5.14 0.00 -3.63 1.53 7.94 -1.26 -1.77 117.00 124.95 3k17 n LEU 205 Ca 0.55 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 55.33 3k17 n LEU 205 Cb 0.26 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.14 3k17 n LEU 205 CO 0.85 0.00 0.58 -1.58 -1.11 0.00 0.00 177.39 176.13 3k17 s GLN 206 N -4.63 0.66 -0.26 1.96 2.00 -0.63 -4.96 119.66 113.81 3k17 s GLN 206 Ca 0.00 0.80 -0.01 0.00 -2.00 0.00 0.00 55.36 54.14 3k17 s GLN 206 Cb 0.00 0.31 0.08 0.00 0.80 0.00 0.00 33.01 34.20 3k17 s GLN 206 CO 0.00 -0.08 0.06 0.42 -0.50 0.00 0.00 175.29 175.18 3k17 s ILE 207 N 0.37 0.81 -0.22 -2.34 1.01 -1.26 -0.30 121.20 119.27 3k17 s ILE 207 Ca 0.01 -1.05 -0.09 0.00 0.00 0.00 0.00 60.65 59.53 3k17 s ILE 207 Cb -0.05 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 40.95 3k17 s ILE 207 CO -0.04 -0.43 0.10 -0.70 0.00 0.00 0.00 174.94 173.88 3k17 s GLU 208 N 1.69 3.93 -0.03 2.79 2.12 -0.49 -4.96 118.70 123.75 3k17 s GLU 208 Ca 0.04 -0.35 -0.30 0.00 0.36 0.00 0.00 54.97 54.72 3k17 s GLU 208 Cb -0.17 -3.37 -0.03 0.00 0.26 0.00 0.00 34.13 30.82 3k17 s GLU 208 CO -0.17 0.08 1.12 0.99 -0.54 0.00 0.00 175.26 176.74 3k17 s THR 209 N 0.95 4.44 0.36 -1.70 2.01 -1.26 -1.17 115.64 119.25 3k17 s THR 209 Ca 0.05 1.75 0.08 0.00 0.31 0.00 0.00 61.69 63.88 3k17 s THR 209 Cb -0.14 -4.12 -0.05 0.00 0.01 0.00 0.00 72.50 68.21 3k17 s THR 209 CO 0.03 0.05 0.11 -0.76 -0.69 0.00 0.00 174.62 173.37 3k17 s LEU 210 N 1.72 3.15 -0.17 4.42 1.43 -0.06 -4.95 118.68 124.22 3k17 s LEU 210 Ca 0.54 -0.91 -0.16 0.00 -1.03 0.00 0.00 54.13 52.57 3k17 s LEU 210 Cb -0.24 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 3k17 s LEU 210 CO 0.24 -0.34 0.40 -0.70 0.23 0.00 0.00 176.35 176.17 3k17 s GLU 211 N -3.82 4.23 0.17 1.70 2.56 -1.26 -4.40 118.70 117.88 3k17 s GLU 211 Ca 0.38 0.24 -0.33 0.00 0.00 0.00 0.00 54.97 55.26 3k17 s GLU 211 Cb -0.00 -3.49 -0.15 0.00 2.00 0.00 0.00 34.13 32.49 3k17 s GLU 211 CO 0.22 0.06 1.36 -1.91 -0.56 0.00 0.00 175.26 174.43 3k17 n GLU 212 N 4.10 1.62 -1.94 4.30 2.13 -1.26 -4.90 120.64 124.68 3k17 n GLU 212 Ca -0.09 0.58 -0.35 0.00 0.66 0.00 0.00 57.16 57.96 3k17 n GLU 212 Cb 0.51 -2.21 0.04 0.00 0.27 0.00 0.00 31.44 30.05 3k17 n GLU 212 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 3k17 s PRO 213 N 0.08 2.89 0.03 5.31 0.02 -1.26 -4.96 135.00 137.11 3k17 s PRO 213 Ca 0.75 1.77 -0.25 0.00 0.02 0.00 0.00 61.00 63.30 3k17 s PRO 213 Cb -0.78 -1.93 -0.18 0.00 0.02 0.00 0.00 34.50 31.64 3k17 s PRO 213 CO 0.47 -1.26 1.50 0.28 -0.33 0.00 0.00 177.00 177.66 3k17 h VAL 214 N 0.70 1.16 -2.91 3.83 2.07 -1.94 -3.45 116.25 115.72 3k17 h VAL 214 Ca -0.50 -0.56 -0.59 0.00 0.82 0.00 0.00 66.70 65.88 3k17 h VAL 214 Cb 1.29 1.54 0.16 0.00 -1.52 0.00 0.00 31.29 32.76 3k17 h VAL 214 CO 0.54 0.14 -0.29 -2.65 0.02 0.00 0.00 177.57 175.33 3k17 n PRO 215 N -4.99 0.64 -2.28 1.57 -0.02 -1.26 -4.88 135.00 123.79 3k17 n PRO 215 Ca -0.08 0.24 -0.42 0.00 -2.02 0.00 0.00 63.50 61.22 3k17 n PRO 215 Cb 0.14 -1.74 -0.03 0.00 -0.02 0.00 0.00 33.50 31.86 3k17 n PRO 215 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3k17 s THR 216 N -1.61 3.79 -0.23 3.45 2.01 -1.08 -4.82 115.64 117.15 3k17 s THR 216 Ca 0.68 1.19 -0.14 0.00 0.31 0.00 0.00 61.69 63.73 3k17 s THR 216 Cb -0.48 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 3k17 s THR 216 CO 0.55 0.02 0.33 0.12 -0.69 0.00 0.00 174.62 174.95 3k17 s PHE 217 N 2.08 3.32 -0.03 4.92 5.36 -1.26 -1.23 117.98 131.15 3k17 s PHE 217 Ca 0.62 0.46 0.06 0.00 -0.96 0.00 0.00 56.93 57.11 3k17 s PHE 217 Cb -0.31 -2.47 -0.02 0.00 -0.34 0.00 0.00 43.02 39.88 3k17 s PHE 217 CO 0.26 -0.05 -0.22 -1.12 -1.46 0.00 0.00 175.22 172.63 3k17 s SER 218 N 1.22 3.42 -0.10 6.13 0.01 0.42 -4.70 113.70 120.09 3k17 s SER 218 Ca 0.15 -0.38 0.04 0.00 1.31 0.00 0.00 55.95 57.07 3k17 s SER 218 Cb -0.15 -0.52 0.00 0.00 0.21 0.00 0.00 66.02 65.56 3k17 s SER 218 CO 0.08 0.33 -0.23 -0.69 0.41 0.00 0.00 173.24 173.13 3k17 s VAL 219 N -0.67 2.00 -0.07 3.43 1.01 -1.26 -1.09 120.40 123.76 3k17 s VAL 219 Ca 0.11 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.12 3k17 s VAL 219 Cb -0.10 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.55 3k17 s VAL 219 CO -0.00 0.55 -0.12 -0.83 0.00 0.00 0.00 175.10 174.70 3k17 s GLY 220 N 0.39 0.80 -1.46 4.51 0.00 -0.75 -1.00 107.32 109.81 3k17 s GLY 220 Ca -0.18 -0.43 -0.08 0.00 0.00 0.00 0.00 44.72 44.03 3k17 s GLY 220 CO 0.08 0.19 2.70 1.87 0.00 0.00 0.00 173.10 177.95 3k17 n TRP 221 N 3.94 2.47 -1.14 1.90 -0.00 0.31 -0.78 117.44 124.14 3k17 n TRP 221 Ca -0.22 -2.95 -0.34 0.00 -0.00 0.00 0.00 57.50 54.00 3k17 n TRP 221 Cb 0.51 -2.17 -0.03 0.00 -0.00 0.00 0.00 31.31 29.63 3k17 n TRP 221 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 177.69 175.32 3k17 n THR 222 N 2.68 3.02 -4.33 5.87 5.66 -1.17 -4.14 114.28 121.87 3k17 n THR 222 Ca 0.71 -2.05 -0.21 0.00 -3.05 0.00 0.00 64.05 59.45 3k17 n THR 222 Cb 0.25 -2.38 -0.08 0.00 -1.55 0.00 0.00 70.33 66.57 3k17 n THR 222 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3k17 n GLY 223 N 3.91 2.96 0.00 1.09 0.00 -0.71 -4.12 105.19 108.31 3k17 n GLY 223 Ca 0.56 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.64 3k17 n GLY 223 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3k17 n THR 224 N -0.70 0.00 -1.31 2.61 5.66 -1.26 -4.72 114.28 114.55 3k17 n THR 224 Ca 0.05 0.00 -0.51 0.00 -3.05 0.00 0.00 64.05 60.54 3k17 n THR 224 Cb 0.62 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.32 3k17 n THR 224 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 3k17 n PRO 225 N 0.00 0.00 -0.06 1.09 -0.02 -1.26 -4.61 135.00 130.15 3k17 n PRO 225 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.38 3k17 n PRO 225 Cb 0.00 -1.13 -0.04 0.00 -0.02 0.00 0.00 33.50 32.30 3k17 n PRO 225 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3k17 n VAL 226 N 2.93 0.61 0.00 -1.45 0.24 -1.26 -5.06 118.33 114.35 3k17 n VAL 226 Ca 0.23 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 3k17 n VAL 226 Cb -0.04 -1.29 0.00 0.00 -1.47 0.00 0.00 33.84 31.04 3k17 n VAL 226 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3k17 n SER 227 N -3.18 0.00 0.00 -1.34 3.41 -1.26 -5.02 113.62 106.23 3k17 n SER 227 Ca -0.21 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 3k17 n SER 227 Cb 0.68 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.63 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 0.00 0.00 -0.28 6.66 -1.04 -1.26 -4.32 114.28 114.04 3k17 n THR 228 Ca 0.00 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.07 3k17 n THR 228 Cb 0.00 0.00 0.20 0.00 -1.82 0.00 0.00 70.33 68.71 3k17 n THR 228 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 3k17 h GLY 229 N 0.00 1.28 0.32 3.41 0.00 -1.99 0.70 103.07 106.80 3k17 h GLY 229 Ca 0.00 -0.23 0.10 0.00 0.00 0.00 0.00 47.33 47.21 3k17 h GLY 229 CO 0.00 -0.03 0.21 1.70 0.00 0.00 0.00 176.54 178.42 3k17 h LYS 230 N 0.58 0.37 -0.13 4.80 3.64 -1.96 -0.02 116.57 123.84 3k17 h LYS 230 Ca 0.43 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.75 3k17 h LYS 230 Cb 0.60 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3k17 h LYS 230 CO -0.35 0.24 -0.09 -0.07 -2.27 0.00 0.00 179.45 176.91 3k17 h LEU 231 N 0.38 0.30 -1.33 5.20 4.07 -1.30 -1.59 115.31 121.05 3k17 h LEU 231 Ca 0.32 -0.44 -0.04 0.00 0.08 0.00 0.00 57.88 57.79 3k17 h LEU 231 Cb 0.42 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 42.06 3k17 h LEU 231 CO -0.34 0.68 -0.03 0.58 -1.08 0.00 0.00 178.44 178.26 3k17 h VAL 232 N -0.07 1.18 0.03 1.22 2.07 -0.77 -1.52 116.25 118.39 3k17 h VAL 232 Ca 0.03 -0.72 -0.26 0.00 0.82 0.00 0.00 66.70 66.56 3k17 h VAL 232 Cb 0.58 1.01 0.02 0.00 -1.52 0.00 0.00 31.29 31.37 3k17 h VAL 232 CO 0.02 0.24 -1.06 0.77 0.02 0.00 0.00 177.57 177.57 3k17 h SER 233 N 0.40 0.76 0.05 0.57 4.64 -1.01 -2.59 113.55 116.37 3k17 h SER 233 Ca 0.09 -0.63 -0.00 0.00 -0.47 0.00 0.00 61.79 60.77 3k17 h SER 233 Cb 0.31 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3k17 h SER 233 CO 0.01 1.44 -0.02 1.56 -0.87 0.00 0.00 176.83 178.95 3k17 h GLN 234 N 0.31 -0.06 -0.80 4.77 4.20 -0.97 -0.64 115.11 121.92 3k17 h GLN 234 Ca -0.12 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 3k17 h GLN 234 Cb 1.71 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 29.46 3k17 h GLN 234 CO 0.20 -0.00 0.46 0.82 -0.67 0.00 0.00 178.83 179.63 3k17 h ILE 235 N -0.10 1.23 -0.88 2.54 1.08 -1.36 0.18 117.51 120.20 3k17 h ILE 235 Ca -0.01 -0.55 -0.01 0.00 -0.39 0.00 0.00 64.86 63.91 3k17 h ILE 235 Cb 0.08 0.14 -0.04 0.00 -3.07 0.00 0.00 36.82 33.93 3k17 h ILE 235 CO 0.01 0.25 0.53 -0.74 -0.69 0.00 0.00 178.15 177.51 3k17 h HIS 236 N 1.10 1.16 -0.46 1.37 2.76 -1.25 0.02 115.15 119.84 3k17 h HIS 236 Ca 0.28 -0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 58.32 3k17 h HIS 236 Cb -0.00 -0.38 -0.01 0.00 1.55 0.00 0.00 27.41 28.57 3k17 h HIS 236 CO -0.00 0.77 -0.25 0.00 -1.30 0.00 0.00 177.93 177.15 3k17 h ALA 237 N 1.37 0.69 -0.87 5.26 0.00 -0.24 -2.96 119.26 122.50 3k17 h ALA 237 Ca 0.32 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3k17 h ALA 237 Cb -0.05 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 3k17 h ALA 237 CO -0.06 0.67 0.55 0.35 0.00 0.00 0.00 179.25 180.76 3k17 h PHE 238 N 0.83 1.13 -0.82 0.00 3.57 0.26 -1.49 116.94 120.41 3k17 h PHE 238 Ca 0.10 0.01 0.20 0.00 3.53 0.00 0.00 57.97 61.81 3k17 h PHE 238 Cb 0.82 -0.37 -0.05 0.00 2.79 0.00 0.00 35.95 39.14 3k17 h PHE 238 CO 0.05 0.73 0.56 -0.22 -2.23 0.00 0.00 178.31 177.21 3k17 h LYS 239 N 1.19 0.24 0.00 1.11 3.64 -0.86 0.98 116.57 122.87 3k17 h LYS 239 Ca 0.32 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.62 3k17 h LYS 239 Cb -0.09 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 3k17 h LYS 239 CO -0.06 0.16 -0.33 1.96 -2.27 0.00 0.00 179.45 178.90 3k17 h GLN 240 N 0.24 0.00 -0.39 1.90 1.08 -1.34 -3.30 115.11 113.30 3k17 h GLN 240 Ca 0.41 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.56 3k17 h GLN 240 Cb 1.24 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.65 3k17 h GLN 240 CO -0.10 0.92 0.02 1.49 -0.95 0.00 0.00 178.83 180.21 3k17 h GLU 241 N -1.00 0.60 -2.13 1.46 4.57 -0.85 -3.36 114.58 113.87 3k17 h GLU 241 Ca -0.09 -0.13 -0.57 0.00 -1.18 0.00 0.00 59.36 57.39 3k17 h GLU 241 Cb 1.01 -0.09 -0.40 0.00 -0.16 0.00 0.00 28.75 29.12 3k17 h GLU 241 CO -0.05 0.60 -0.97 -3.47 -1.18 0.00 0.00 179.01 173.94 3k17 n ASP 242 N -4.28 0.94 -0.32 1.04 -0.08 0.30 -4.98 116.55 109.17 3k17 n ASP 242 Ca 0.02 -2.83 0.06 0.00 -1.51 0.00 0.00 54.79 50.53 3k17 n ASP 242 Cb 0.24 -0.64 0.25 0.00 2.34 0.00 0.00 41.12 43.32 3k17 n ASP 242 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 3k17 h SER 243 N 4.29 0.89 -0.23 1.67 0.87 -1.72 -2.04 113.55 117.27 3k17 h SER 243 Ca 0.12 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 3k17 h SER 243 Cb 0.83 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.62 3k17 h SER 243 CO 0.54 0.53 0.11 0.50 -0.53 0.00 0.00 176.83 177.98 3k17 h LYS 244 N 0.99 0.33 -0.20 2.24 3.64 -1.93 -0.17 116.57 121.45 3k17 h LYS 244 Ca 0.43 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.62 3k17 h LYS 244 Cb 0.34 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 3k17 h LYS 244 CO -0.19 0.33 -0.48 -0.91 -2.27 0.00 0.00 179.45 175.94 3k17 h ASN 245 N 0.24 0.58 -0.55 4.20 -0.26 -1.93 -0.85 115.58 117.01 3k17 h ASN 245 Ca 0.08 -0.28 -0.11 0.00 -0.56 0.00 0.00 56.30 55.42 3k17 h ASN 245 Cb 0.11 -0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.19 3k17 h ASN 245 CO -0.01 0.97 -0.10 0.22 -1.06 0.00 0.00 177.43 177.45 3k17 h TYR 246 N 0.43 1.16 -0.28 1.19 3.20 -1.26 -1.64 116.97 119.76 3k17 h TYR 246 Ca 0.02 -0.24 -0.11 0.00 3.14 0.00 0.00 58.73 61.55 3k17 h TYR 246 Cb 1.00 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 3k17 h TYR 246 CO 0.04 1.06 -0.27 0.37 -1.64 0.00 0.00 178.16 177.73 3k17 h GLN 247 N 0.92 0.56 -0.17 1.82 5.75 -0.92 -1.81 115.11 121.25 3k17 h GLN 247 Ca 0.14 -0.22 0.01 0.00 -0.15 0.00 0.00 58.65 58.42 3k17 h GLN 247 Cb 0.67 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.18 3k17 h GLN 247 CO 0.05 0.78 0.10 1.25 -2.65 0.00 0.00 178.83 178.36 3k17 h HIS 248 N 0.49 0.19 -0.61 3.99 2.76 -0.73 0.04 115.15 121.28 3k17 h HIS 248 Ca 0.07 0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.33 3k17 h HIS 248 Cb 0.72 -0.06 -0.07 0.00 1.55 0.00 0.00 27.41 29.55 3k17 h HIS 248 CO 0.03 0.12 0.25 0.35 -1.30 0.00 0.00 177.93 177.38 3k17 h PHE 249 N 0.21 0.45 -0.56 5.26 3.57 -0.95 -0.79 116.94 124.13 3k17 h PHE 249 Ca 0.07 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 3k17 h PHE 249 Cb -0.01 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 3k17 h PHE 249 CO -0.08 0.14 0.15 -0.07 -2.23 0.00 0.00 178.31 176.23 3k17 h LEU 250 N 0.46 0.83 -0.52 0.59 3.38 -0.77 0.19 115.31 119.47 3k17 h LEU 250 Ca 0.30 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3k17 h LEU 250 Cb 0.33 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3k17 h LEU 250 CO -0.27 0.84 0.29 0.74 0.09 0.00 0.00 178.44 180.12 3k17 h THR 251 N 0.79 1.17 -0.25 0.22 2.02 -0.42 -0.69 112.91 115.74 3k17 h THR 251 Ca 0.18 -0.43 -0.06 0.00 0.77 0.00 0.00 66.41 66.87 3k17 h THR 251 Cb 0.32 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 3k17 h THR 251 CO -0.00 0.18 -0.07 0.03 0.37 0.00 0.00 175.52 176.03 3k17 h ARG 252 N 0.69 0.49 -0.53 6.66 2.47 -1.03 -2.42 114.38 120.72 3k17 h ARG 252 Ca 0.18 -0.19 0.07 0.00 -1.26 0.00 0.00 59.98 58.78 3k17 h ARG 252 Cb 0.04 -0.03 -0.06 0.00 -1.65 0.00 0.00 29.97 28.27 3k17 h ARG 252 CO -0.03 0.71 0.21 -0.97 0.56 0.00 0.00 179.97 180.45 3k17 h ASN 253 N 0.23 0.23 -0.39 7.04 -0.73 -0.75 -0.12 115.58 121.09 3k17 h ASN 253 Ca 0.06 0.06 -0.09 0.00 1.87 0.00 0.00 56.30 58.20 3k17 h ASN 253 Cb 0.54 0.03 -0.02 0.00 0.27 0.00 0.00 38.32 39.14 3k17 h ASN 253 CO 0.03 0.16 -0.08 0.78 -0.37 0.00 0.00 177.43 177.94 3k17 h ASN 254 N 0.40 0.81 0.02 1.15 2.35 -1.06 -2.98 115.58 116.26 3k17 h ASN 254 Ca 0.25 -0.23 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3k17 h ASN 254 Cb 0.26 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.41 3k17 h ASN 254 CO -0.24 0.92 -0.01 -0.33 -1.65 0.00 0.00 177.43 176.12 3k17 h GLU 255 N 0.75 -0.02 -1.58 0.81 5.08 -0.89 -2.29 114.58 116.44 3k17 h GLU 255 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3k17 h GLU 255 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3k17 h GLU 255 CO 0.03 0.17 0.00 -0.89 -1.00 0.00 0.00 179.01 177.32 3k17 n ILE 256 N -5.01 0.00 0.00 3.13 5.41 -0.11 -2.46 119.36 120.31 3k17 n ILE 256 Ca -0.08 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.67 3k17 n ILE 256 Cb 0.12 -0.39 0.00 0.00 -0.71 0.00 0.00 39.64 38.65 3k17 n ILE 256 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3k17 n LYS 258 N 0.89 0.00 -0.06 0.38 5.02 -0.86 -1.06 118.16 122.47 3k17 n LYS 258 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 3k17 n LYS 258 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 3k17 n LYS 258 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 3k17 h GLN 259 N 0.00 0.32 -0.31 1.97 4.20 -1.76 -1.74 115.11 117.80 3k17 h GLN 259 Ca 0.00 -0.12 -0.07 0.00 0.06 0.00 0.00 58.65 58.52 3k17 h GLN 259 Cb 0.00 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 3k17 h GLN 259 CO 0.00 0.57 -0.12 0.82 -0.67 0.00 0.00 178.83 179.43 3k17 h ILE 260 N 0.05 1.23 -0.37 2.54 2.04 -1.40 0.10 117.51 121.70 3k17 h ILE 260 Ca 0.05 -1.04 -0.09 0.00 1.00 0.00 0.00 64.86 64.78 3k17 h ILE 260 Cb 0.45 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 3k17 h ILE 260 CO 0.01 0.34 -0.16 0.40 0.00 0.00 0.00 178.15 178.74 3k17 h ILE 261 N 0.49 1.26 -0.46 -0.67 2.04 -1.80 -0.79 117.51 117.58 3k17 h ILE 261 Ca 0.09 -1.20 -0.08 0.00 1.00 0.00 0.00 64.86 64.67 3k17 h ILE 261 Cb 0.50 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 3k17 h ILE 261 CO 0.03 0.40 -0.04 -0.61 0.00 0.00 0.00 178.15 177.93 3k17 h GLN 262 N 0.60 0.84 -0.63 2.37 4.15 -0.42 -1.07 115.11 120.96 3k17 h GLN 262 Ca 0.10 -0.29 0.03 0.00 0.77 0.00 0.00 58.65 59.26 3k17 h GLN 262 Cb 0.62 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 28.20 3k17 h GLN 262 CO 0.04 0.91 0.38 0.00 -1.93 0.00 0.00 178.83 178.23 3k17 h ALA 263 N 0.90 0.82 -0.19 3.38 0.00 -0.37 0.13 119.26 123.92 3k17 h ALA 263 Ca 0.12 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3k17 h ALA 263 Cb 0.56 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3k17 h ALA 263 CO 0.03 0.11 0.04 0.74 0.00 0.00 0.00 179.25 180.17 3k17 h PHE 264 N 0.74 0.32 -0.80 0.00 0.04 -0.96 0.13 116.94 116.41 3k17 h PHE 264 Ca 0.26 -0.04 -0.04 0.00 2.80 0.00 0.00 57.97 60.94 3k17 h PHE 264 Cb 0.05 -0.09 -0.04 0.00 2.20 0.00 0.00 35.95 38.07 3k17 h PHE 264 CO -0.06 0.44 0.33 0.45 -0.60 0.00 0.00 178.31 178.87 3k17 h HIS 265 N 0.11 1.21 -0.35 -0.55 3.86 -0.86 -3.04 115.15 115.54 3k17 h HIS 265 Ca 0.06 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 3k17 h HIS 265 Cb 0.28 -0.36 0.00 0.00 1.06 0.00 0.00 27.41 28.39 3k17 h HIS 265 CO 0.01 0.91 0.00 0.25 0.86 0.00 0.00 177.93 179.96 3k17 n THR 266 N -4.28 0.44 -1.87 2.45 -2.24 0.41 -4.93 114.28 104.27 3k17 n THR 266 Ca 0.07 -0.67 -0.20 0.00 -2.27 0.00 0.00 64.05 60.99 3k17 n THR 266 Cb 0.18 0.86 -0.06 0.00 -2.10 0.00 0.00 70.33 69.21 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 1.27 -1.55 -2.44 -0.78 4.76 0.29 -4.89 118.16 114.83 3k17 n LYS 267 Ca 0.19 1.10 -0.41 0.00 -2.87 0.00 0.00 58.31 56.32 3k17 n LYS 267 Cb 0.55 -5.58 -0.03 0.00 -1.84 0.00 0.00 35.03 28.14 3k17 n LYS 267 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3k17 s ASP 268 N -2.46 6.03 0.08 4.39 -1.08 -0.31 -4.89 116.67 118.42 3k17 s ASP 268 Ca 0.00 -0.13 -0.16 0.00 -0.52 0.00 0.00 52.55 51.74 3k17 s ASP 268 Cb 0.00 -2.55 -0.11 0.00 -1.46 0.00 0.00 42.92 38.80 3k17 s ASP 268 CO 0.00 -1.87 1.39 -0.33 0.52 0.00 0.00 175.17 174.87 3k17 h GLU 269 N 11.01 0.61 -0.31 4.34 5.08 -1.90 -2.55 114.58 130.85 3k17 h GLU 269 Ca -0.27 -0.33 0.03 0.00 -1.00 0.00 0.00 59.36 57.78 3k17 h GLU 269 Cb 1.08 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.32 3k17 h GLU 269 CO 1.24 0.93 0.14 0.93 -1.00 0.00 0.00 179.01 181.25 3k17 h GLU 270 N 0.31 0.29 -0.42 2.33 4.39 -1.99 -0.10 114.58 119.39 3k17 h GLU 270 Ca 0.03 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.73 3k17 h GLU 270 Cb 0.84 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.40 3k17 h GLU 270 CO 0.07 0.19 0.28 1.25 -1.16 0.00 0.00 179.01 179.64 3k17 h LEU 271 N 0.30 0.45 -0.10 1.33 5.85 -1.97 -1.25 115.31 119.92 3k17 h LEU 271 Ca 0.13 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 3k17 h LEU 271 Cb 0.07 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 3k17 h LEU 271 CO -0.11 0.32 0.01 0.25 -0.34 0.00 0.00 178.44 178.57 3k17 h LEU 272 N 0.53 0.16 -0.11 2.25 5.85 -0.75 -1.01 115.31 122.22 3k17 h LEU 272 Ca 0.16 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 3k17 h LEU 272 Cb 0.01 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3k17 h LEU 272 CO -0.04 0.40 0.07 1.88 -0.34 0.00 0.00 178.44 180.41 3k17 h TYR 273 N -0.09 0.15 -0.77 1.25 0.05 -0.45 -1.62 116.97 115.50 3k17 h TYR 273 Ca 0.03 -0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.78 3k17 h TYR 273 Cb 0.32 -0.05 -0.04 0.00 1.01 0.00 0.00 36.73 37.97 3k17 h TYR 273 CO 0.02 0.14 0.36 0.66 -1.05 0.00 0.00 178.16 178.30 3k17 h SER 274 N 0.11 1.00 -0.53 3.88 4.64 -1.26 -2.24 113.55 119.15 3k17 h SER 274 Ca 0.04 -0.12 -0.05 0.00 -0.47 0.00 0.00 61.79 61.19 3k17 h SER 274 Cb 0.04 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 61.85 3k17 h SER 274 CO -0.01 0.85 0.14 0.28 -0.87 0.00 0.00 176.83 177.22 3k17 h SER 275 N 1.09 0.80 -0.71 4.97 0.02 -0.92 -1.24 113.55 117.56 3k17 h SER 275 Ca 0.26 -0.23 -0.05 0.00 -0.84 0.00 0.00 61.79 60.94 3k17 h SER 275 Cb 0.12 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 3k17 h SER 275 CO -0.03 0.82 0.24 0.40 -1.14 0.00 0.00 176.83 177.12 3k17 h ILE 276 N 0.75 1.25 -0.75 3.27 1.08 -1.09 -0.40 117.51 121.63 3k17 h ILE 276 Ca 0.17 -0.85 -0.02 0.00 -0.39 0.00 0.00 64.86 63.77 3k17 h ILE 276 Cb 0.33 0.47 -0.03 0.00 -3.07 0.00 0.00 36.82 34.52 3k17 h ILE 276 CO 0.00 0.33 0.37 0.11 -0.69 0.00 0.00 178.15 178.28 3k17 h LYS 277 N 1.03 1.07 0.02 2.37 1.57 -1.17 -0.04 116.57 121.42 3k17 h LYS 277 Ca 0.23 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3k17 h LYS 277 Cb 0.27 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3k17 h LYS 277 CO -0.01 0.82 -0.01 0.93 -0.57 0.00 0.00 179.45 180.61 3k17 h GLU 278 N 1.04 -0.03 -0.66 3.15 5.08 -0.75 -1.63 114.58 120.79 3k17 h GLU 278 Ca 0.26 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.72 3k17 h GLU 278 Cb 0.10 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.28 3k17 h GLU 278 CO -0.03 0.08 0.27 -0.97 -1.00 0.00 0.00 179.01 177.36 3k17 h ASN 279 N -0.13 0.30 -0.56 1.42 -0.73 -0.69 -0.51 115.58 114.68 3k17 h ASN 279 Ca -0.00 0.08 0.05 0.00 1.87 0.00 0.00 56.30 58.29 3k17 h ASN 279 Cb 0.12 0.04 -0.05 0.00 0.27 0.00 0.00 38.32 38.70 3k17 h ASN 279 CO 0.00 0.17 0.30 -0.09 -0.37 0.00 0.00 177.43 177.44 3k17 h ARG 280 N 0.47 0.56 -0.34 6.67 2.43 -0.70 -2.18 114.38 121.28 3k17 h ARG 280 Ca 0.33 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.47 3k17 h ARG 280 Cb 0.41 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 3k17 h ARG 280 CO -0.31 0.37 0.21 0.00 -1.51 0.00 0.00 179.97 178.73 3k17 h ARG 281 N 0.57 0.46 0.00 0.20 2.47 -0.14 -1.36 114.38 116.58 3k17 h ARG 281 Ca 0.25 -0.04 -0.04 0.00 -1.26 0.00 0.00 59.98 58.89 3k17 h ARG 281 Cb 0.13 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.35 3k17 h ARG 281 CO -0.16 0.34 -0.20 -0.84 0.56 0.00 0.00 179.97 179.67 3k17 h ILE 282 N 0.45 0.64 0.00 2.04 3.07 -1.11 -0.15 117.51 122.45 3k17 h ILE 282 Ca 0.12 -0.90 -0.19 0.00 1.55 0.00 0.00 64.86 65.45 3k17 h ILE 282 Cb -0.01 1.58 -0.02 0.00 -0.27 0.00 0.00 36.82 38.10 3k17 h ILE 282 CO -0.02 0.20 -0.86 -0.07 -1.05 0.00 0.00 178.15 176.34 3k17 h LEU 283 N 0.00 0.14 -0.07 0.16 3.38 -0.97 -0.82 115.31 117.13 3k17 h LEU 283 Ca -0.00 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 3k17 h LEU 283 Cb 0.56 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 3k17 h LEU 283 CO 0.03 0.93 -0.05 1.56 0.09 0.00 0.00 178.44 181.00 3k17 h GLN 284 N 0.06 0.17 -0.24 1.13 4.20 -0.44 -2.03 115.11 117.96 3k17 h GLN 284 Ca -0.03 -0.08 0.04 0.00 0.06 0.00 0.00 58.65 58.64 3k17 h GLN 284 Cb 1.50 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.24 3k17 h GLN 284 CO 0.12 0.57 0.02 1.49 -0.67 0.00 0.00 178.83 180.36 3k17 h GLU 285 N -0.23 0.10 -0.28 1.46 4.57 -1.01 -0.92 114.58 118.27 3k17 h GLU 285 Ca 0.01 -0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.24 3k17 h GLU 285 Cb 0.53 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.04 3k17 h GLU 285 CO 0.01 0.07 -0.05 1.25 -1.18 0.00 0.00 179.01 179.11 3k17 h LEU 286 N 0.10 -0.21 -0.69 1.64 5.85 -1.12 0.73 115.31 121.61 3k17 h LEU 286 Ca 0.11 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.93 3k17 h LEU 286 Cb 0.13 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 3k17 h LEU 286 CO -0.17 -0.07 0.44 1.23 -0.34 0.00 0.00 178.44 179.53 3k17 h GLY 287 N 0.02 1.00 0.83 3.75 0.00 -0.97 -0.32 103.07 107.39 3k17 h GLY 287 Ca 0.13 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 3k17 h GLY 287 CO -0.27 0.30 -0.02 -0.84 0.00 0.00 0.00 176.54 175.71 3k17 h THR 288 N 0.87 1.09 -0.34 4.70 2.02 -0.49 0.57 112.91 121.34 3k17 h THR 288 Ca 0.27 -0.39 -0.04 0.00 0.77 0.00 0.00 66.41 67.02 3k17 h THR 288 Cb -0.01 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 3k17 h THR 288 CO -0.10 0.10 0.03 0.11 0.37 0.00 0.00 175.52 176.03 3k17 h LYS 289 N -0.21 0.51 -0.00 6.66 1.57 -0.69 -2.40 116.57 122.01 3k17 h LYS 289 Ca -0.00 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3k17 h LYS 289 Cb 0.20 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3k17 h LYS 289 CO 0.01 0.51 -0.44 0.00 -0.57 0.00 0.00 179.45 178.96 3k17 n ALA 290 N -2.48 3.42 -2.02 3.86 0.00 -0.14 -4.94 120.51 118.21 3k17 n ALA 290 Ca 0.02 -0.33 -0.08 0.00 0.00 0.00 0.00 53.44 53.04 3k17 n ALA 290 Cb 0.22 -1.15 -0.01 0.00 0.00 0.00 0.00 19.45 18.51 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 1.49 0.18 3.67 0.00 0.00 0.69 -4.97 105.19 106.25 3k17 n GLY 291 Ca 0.06 -0.56 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.40 3.89 -1.06 1.61 1.01 0.17 -5.00 120.40 118.61 3k17 s VAL 292 Ca 0.00 -1.10 -0.05 0.00 0.00 0.00 0.00 61.98 60.83 3k17 s VAL 292 Cb 0.00 -2.86 0.29 0.00 0.00 0.00 0.00 36.38 33.80 3k17 s VAL 292 CO 0.00 0.08 1.22 -3.20 0.00 0.00 0.00 175.10 173.21 3k17 n ASN 293 N 0.47 5.70 0.25 3.32 5.15 -1.26 -4.14 115.26 124.75 3k17 n ASN 293 Ca -0.11 -3.23 -0.11 0.00 -0.60 0.00 0.00 54.58 50.53 3k17 n ASN 293 Cb 0.52 -1.27 -0.06 0.00 -0.53 0.00 0.00 39.78 38.45 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 3.56 0.08 -2.64 -1.44 2.04 -1.90 -3.20 117.51 114.02 3k17 h ILE 294 Ca 0.19 -0.50 -0.64 0.00 1.00 0.00 0.00 64.86 64.91 3k17 h ILE 294 Cb 0.74 0.12 -0.15 0.00 -0.74 0.00 0.00 36.82 36.79 3k17 h ILE 294 CO 1.13 0.02 0.54 -0.70 0.00 0.00 0.00 178.15 179.14 3k17 s GLU 295 N -3.95 3.16 1.04 2.37 2.12 -1.26 0.16 118.70 122.34 3k17 s GLU 295 Ca -0.11 -0.98 -0.13 0.00 0.36 0.00 0.00 54.97 54.12 3k17 s GLU 295 Cb 0.01 -4.31 0.21 0.00 0.26 0.00 0.00 34.13 30.30 3k17 s GLU 295 CO 0.34 -1.79 1.08 0.95 -0.54 0.00 0.00 175.26 175.30 3k17 s THR 296 N 3.80 2.02 0.19 -1.70 -4.23 -1.26 -4.65 115.64 109.81 3k17 s THR 296 Ca 0.22 0.01 -0.12 0.00 -1.18 0.00 0.00 61.69 60.62 3k17 s THR 296 Cb -0.16 -2.41 0.10 0.00 1.34 0.00 0.00 72.50 71.37 3k17 s THR 296 CO 0.08 -0.01 1.79 0.28 -0.54 0.00 0.00 174.62 176.22 3k17 h SER 297 N -2.08 0.41 -0.45 3.99 0.02 -1.97 0.39 113.55 113.87 3k17 h SER 297 Ca -0.56 0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 60.29 3k17 h SER 297 Cb 1.33 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.82 3k17 h SER 297 CO 0.56 0.28 -0.21 0.25 -1.14 0.00 0.00 176.83 176.57 3k17 h LEU 298 N 0.55 0.98 -1.04 5.07 5.85 -1.93 -1.91 115.31 122.88 3k17 h LEU 298 Ca 0.25 -0.37 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 3k17 h LEU 298 Cb 0.16 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 3k17 h LEU 298 CO -0.17 1.15 0.24 -0.07 -0.34 0.00 0.00 178.44 179.24 3k17 h LEU 299 N 0.83 0.85 -0.69 2.25 3.38 -1.61 -0.49 115.31 119.82 3k17 h LEU 299 Ca 0.11 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3k17 h LEU 299 Cb 0.78 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 3k17 h LEU 299 CO 0.06 0.77 0.39 0.50 0.09 0.00 0.00 178.44 180.25 3k17 h LYS 300 N 0.90 0.96 -0.35 1.13 3.64 0.18 -1.22 116.57 121.82 3k17 h LYS 300 Ca 0.21 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 59.45 3k17 h LYS 300 Cb 0.20 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3k17 h LYS 300 CO -0.02 0.72 0.08 0.93 -2.27 0.00 0.00 179.45 178.89 3k17 h GLU 301 N 0.95 0.57 -0.33 1.90 5.08 -0.65 0.15 114.58 122.25 3k17 h GLU 301 Ca 0.25 -0.14 0.06 0.00 -1.00 0.00 0.00 59.36 58.53 3k17 h GLU 301 Cb 0.03 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.14 3k17 h GLU 301 CO -0.04 0.62 -0.06 1.25 -1.00 0.00 0.00 179.01 179.78 3k17 h LEU 302 N 0.42 -0.26 -0.44 1.33 6.46 -0.75 0.04 115.31 122.11 3k17 h LEU 302 Ca 0.11 0.09 -0.11 0.00 -0.12 0.00 0.00 57.88 57.85 3k17 h LEU 302 Cb 0.32 0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.42 3k17 h LEU 302 CO 0.00 -0.09 -0.15 0.00 -0.62 0.00 0.00 178.44 177.59 3k17 h ALA 303 N 1.32 0.61 -0.38 1.25 0.00 -1.04 -2.70 119.26 118.32 3k17 h ALA 303 Ca 0.16 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3k17 h ALA 303 Cb 0.24 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3k17 h ALA 303 CO -0.32 0.53 0.17 -0.44 0.00 0.00 0.00 179.25 179.19 3k17 h ASP 304 N 0.71 0.50 -0.92 0.00 3.32 -0.24 -1.70 116.42 118.10 3k17 h ASP 304 Ca 0.11 -0.14 0.04 0.00 0.02 0.00 0.00 57.03 57.06 3k17 h ASP 304 Cb 0.70 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 40.06 3k17 h ASP 304 CO 0.05 0.50 0.60 0.77 -1.72 0.00 0.00 179.24 179.44 3k17 h SER 305 N 0.47 0.98 -0.20 6.45 4.64 -0.99 0.16 113.55 125.06 3k17 h SER 305 Ca 0.13 -0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.35 3k17 h SER 305 Cb 0.14 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 61.99 3k17 h SER 305 CO -0.01 0.67 -0.17 0.00 -0.87 0.00 0.00 176.83 176.45 3k17 h ALA 306 N 1.47 1.08 -0.00 5.18 0.00 -1.12 -2.95 119.26 122.91 3k17 h ALA 306 Ca 0.37 -0.32 -0.24 0.00 0.00 0.00 0.00 54.91 54.72 3k17 h ALA 306 Cb 0.04 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.69 3k17 h ALA 306 CO -0.12 0.57 -0.98 0.93 0.00 0.00 0.00 179.25 179.65 3k17 h GLU 307 N 0.55 0.52 -2.21 0.00 5.08 -0.39 -1.24 114.58 116.90 3k17 h GLU 307 Ca 0.09 -0.56 -0.02 0.00 -1.00 0.00 0.00 59.36 57.87 3k17 h GLU 307 Cb 0.60 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 3k17 h GLU 307 CO 0.04 1.19 0.07 0.09 -1.00 0.00 0.00 179.01 179.40 3k17 n ASN 308 N -3.79 1.51 0.00 1.42 3.02 0.48 -3.76 115.26 114.15 3k17 n ASN 308 Ca -0.08 -1.51 0.00 0.00 -0.03 0.00 0.00 54.58 52.96 3k17 n ASN 308 Cb 0.85 -0.35 0.00 0.00 -0.61 0.00 0.00 39.78 39.67 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 2.15 -0.51 0.00 7.41 0.00 -1.24 -5.09 105.19 107.91 3k17 n GLY 310 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 0.01 3.23 3.18 -0.02 0.00 -0.47 -4.74 105.19 106.38 3k17 n GLY 311 Ca 0.00 -1.75 -0.12 0.00 0.00 0.00 0.00 46.02 44.14 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 -2.59 -0.60 0.15 4.61 0.00 -0.80 -4.13 121.76 118.39 3k17 s ALA 312 Ca 0.00 0.20 -0.14 0.00 0.00 0.00 0.00 51.96 52.02 3k17 s ALA 312 Cb 0.00 0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.17 3k17 s ALA 312 CO 0.00 -0.23 0.38 0.20 0.00 0.00 0.00 175.76 176.11 3k17 s GLY 313 N -1.19 0.00 -0.07 0.00 0.00 -1.26 -0.85 107.32 103.95 3k17 s GLY 313 Ca -0.13 -0.37 -0.32 0.00 0.00 0.00 0.00 44.72 43.91 3k17 s GLY 313 CO 0.03 -0.49 1.10 -1.59 0.00 0.00 0.00 173.10 172.15 3k17 s LYS 314 N -3.87 0.56 0.87 2.90 -2.85 -0.72 -4.80 119.74 111.84 3k17 s LYS 314 Ca 0.08 -0.24 -0.11 0.00 -1.00 0.00 0.00 55.97 54.70 3k17 s LYS 314 Cb 0.02 0.24 0.12 0.00 -2.06 0.00 0.00 37.83 36.14 3k17 s LYS 314 CO -0.07 -0.25 1.10 -1.54 0.10 0.00 0.00 175.35 174.70 3k17 s SER 315 N -2.47 3.57 -0.24 0.03 1.04 -1.26 -0.92 113.70 113.45 3k17 s SER 315 Ca 0.09 1.78 0.01 0.00 0.48 0.00 0.00 55.95 58.31 3k17 s SER 315 Cb -0.00 -2.41 0.06 0.00 0.10 0.00 0.00 66.02 63.77 3k17 s SER 315 CO -0.05 -2.62 -0.07 -0.55 0.98 0.00 0.00 173.24 170.93 3k17 s SER 316 N -3.18 3.98 0.00 7.02 0.15 -0.56 -4.70 113.70 116.41 3k17 s SER 316 Ca 0.64 -1.22 0.00 0.00 0.70 0.00 0.00 55.95 56.06 3k17 s SER 316 Cb -0.19 -1.26 0.00 0.00 -1.71 0.00 0.00 66.02 62.86 3k17 s SER 316 CO 0.57 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.40 3k17 n GLY 317 N 4.62 0.76 0.27 9.45 0.00 -1.26 -4.38 105.19 114.65 3k17 n GLY 317 Ca -0.12 -1.66 0.15 0.00 0.00 0.00 0.00 46.02 44.38 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 0.28 0.00 -0.11 1.61 4.64 -1.96 -3.46 113.55 114.55 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 0.10 0.00 0.61 -0.87 0.00 0.00 176.83 176.67 3k17 n GLY 319 N -0.44 -0.87 2.42 -0.77 0.00 -1.26 -4.75 105.19 99.52 3k17 n GLY 319 Ca -0.01 -1.18 -0.00 0.00 0.00 0.00 0.00 46.02 44.82 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 0.30 0.00 -0.02 0.00 0.42 -4.62 105.19 101.27 3k17 n GLY 320 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.31 0.13 7.00 -0.02 0.00 -1.26 -4.67 105.19 105.06 3k17 n GLY 321 Ca -0.00 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.03 -4.93 1.61 8.00 -1.26 -4.60 116.55 115.34 3k17 n ASP 322 Ca 0.00 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.25 3k17 n ASP 322 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.10 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 -4.12 1.35 0.16 0.00 0.00 0.04 -1.50 107.32 103.25 3k17 s GLY 324 Ca 0.45 -1.63 0.00 0.00 0.00 0.00 0.00 44.72 43.54 3k17 s GLY 324 CO 0.40 -1.71 0.04 -0.26 0.00 0.00 0.00 173.10 171.57 3k17 s ILE 325 N -3.12 0.36 0.06 0.90 -4.36 -0.10 -1.82 121.20 113.13 3k17 s ILE 325 Ca 0.22 -1.95 -0.26 0.00 -0.26 0.00 0.00 60.65 58.39 3k17 s ILE 325 Cb 0.01 -2.12 0.08 0.00 1.25 0.00 0.00 42.46 41.68 3k17 s ILE 325 CO 0.05 -0.43 0.70 0.00 0.24 0.00 0.00 174.94 175.51 3k17 s ALA 326 N -3.88 -1.71 -0.15 2.27 0.00 -0.25 -1.75 121.76 116.30 3k17 s ALA 326 Ca 0.25 0.86 0.01 0.00 0.00 0.00 0.00 51.96 53.09 3k17 s ALA 326 Cb 0.07 0.48 0.02 0.00 0.00 0.00 0.00 23.12 23.69 3k17 s ALA 326 CO 0.04 -0.63 -0.18 -0.06 0.00 0.00 0.00 175.76 174.92 3k17 s PHE 327 N -2.85 2.48 0.19 0.00 0.08 -0.03 -0.44 117.98 117.41 3k17 s PHE 327 Ca -0.01 -1.35 0.06 0.00 0.12 0.00 0.00 56.93 55.75 3k17 s PHE 327 Cb -0.01 -1.74 -0.04 0.00 -0.57 0.00 0.00 43.02 40.67 3k17 s PHE 327 CO -0.06 -0.67 0.10 -1.12 -0.10 0.00 0.00 175.22 173.37 3k17 s SER 328 N 1.17 5.24 0.39 1.36 0.01 -0.37 -1.91 113.70 119.59 3k17 s SER 328 Ca -0.00 -0.26 0.21 0.00 1.31 0.00 0.00 55.95 57.21 3k17 s SER 328 Cb -0.14 -1.28 0.64 0.00 0.21 0.00 0.00 66.02 65.46 3k17 s SER 328 CO -0.08 0.06 1.71 0.11 0.41 0.00 0.00 173.24 175.45 3k17 h LYS 329 N 2.34 0.00 -3.37 12.44 1.57 -1.90 -2.85 116.57 124.80 3k17 h LYS 329 Ca -0.47 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.21 3k17 h LYS 329 Cb 1.21 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.35 3k17 h LYS 329 CO 0.61 0.31 -0.27 0.95 -0.57 0.00 0.00 179.45 180.49 3k17 s THR 330 N -3.46 0.09 0.39 -0.16 -4.23 -1.26 -4.84 115.64 102.16 3k17 s THR 330 Ca 0.02 -0.73 0.12 0.00 -1.18 0.00 0.00 61.69 59.91 3k17 s THR 330 Cb 0.09 -0.97 0.33 0.00 1.34 0.00 0.00 72.50 73.30 3k17 s THR 330 CO 0.67 -0.40 1.90 0.50 -0.54 0.00 0.00 174.62 176.75 3k17 h LYS 331 N 3.18 0.56 0.22 3.99 1.63 -1.98 -0.42 116.57 123.75 3k17 h LYS 331 Ca -0.32 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.44 3k17 h LYS 331 Cb 1.20 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.71 3k17 h LYS 331 CO 0.47 0.37 -0.10 0.93 -3.45 0.00 0.00 179.45 177.67 3k17 h GLU 332 N 0.58 -0.28 -0.87 1.90 3.07 -1.99 -0.58 114.58 116.41 3k17 h GLU 332 Ca 0.40 0.02 0.10 0.00 -0.50 0.00 0.00 59.36 59.38 3k17 h GLU 332 Cb 0.73 0.06 -0.08 0.00 -0.84 0.00 0.00 28.75 28.62 3k17 h GLU 332 CO -0.16 -0.01 0.51 -0.07 -1.40 0.00 0.00 179.01 177.88 3k17 h LEU 333 N -0.54 0.73 -0.67 1.33 3.38 -1.75 -0.41 115.31 117.37 3k17 h LEU 333 Ca -0.03 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3k17 h LEU 333 Cb 0.40 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3k17 h LEU 333 CO 0.05 0.41 0.42 0.00 0.09 0.00 0.00 178.44 179.40 3k17 h ALA 334 N 1.48 0.86 -0.67 1.53 0.00 -0.91 0.19 119.26 121.74 3k17 h ALA 334 Ca 0.42 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3k17 h ALA 334 Cb 0.40 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3k17 h ALA 334 CO -0.26 0.31 0.43 0.93 0.00 0.00 0.00 179.25 180.67 3k17 h GLU 335 N 0.91 0.89 -0.19 0.00 5.08 0.46 0.31 114.58 122.04 3k17 h GLU 335 Ca 0.24 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 3k17 h GLU 335 Cb -0.05 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 3k17 h GLU 335 CO -0.05 0.60 0.07 0.87 -1.00 0.00 0.00 179.01 179.50 3k17 h LYS 336 N 0.91 0.29 -0.10 2.33 1.57 -0.63 -0.55 116.57 120.39 3k17 h LYS 336 Ca 0.24 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 59.01 3k17 h LYS 336 Cb -0.08 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.13 3k17 h LYS 336 CO -0.05 0.37 -0.22 1.25 -0.57 0.00 0.00 179.45 180.23 3k17 h LEU 337 N 0.15 -0.67 -1.41 2.94 5.85 0.01 0.21 115.31 122.39 3k17 h LEU 337 Ca 0.06 0.11 0.14 0.00 0.84 0.00 0.00 57.88 59.03 3k17 h LEU 337 Cb 0.19 0.30 -0.06 0.00 0.37 0.00 0.00 40.66 41.46 3k17 h LEU 337 CO -0.00 -0.27 0.54 0.58 -0.34 0.00 0.00 178.44 178.94 3k17 h VAL 338 N -0.29 0.84 -0.28 1.05 2.07 -0.24 -0.59 116.25 118.81 3k17 h VAL 338 Ca 0.09 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 3k17 h VAL 338 Cb 0.43 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 3k17 h VAL 338 CO -0.27 0.11 0.09 -1.13 0.02 0.00 0.00 177.57 176.38 3k17 h ASN 339 N 0.59 0.42 -0.53 0.57 -0.73 0.97 -2.20 115.58 114.67 3k17 h ASN 339 Ca 0.40 -0.21 -0.06 0.00 1.87 0.00 0.00 56.30 58.30 3k17 h ASN 339 Cb 0.71 -0.11 -0.02 0.00 0.27 0.00 0.00 38.32 39.17 3k17 h ASN 339 CO -0.16 0.51 0.08 -0.08 -0.37 0.00 0.00 177.43 177.41 3k17 h GLU 340 N 0.30 0.88 -0.48 6.67 4.81 0.60 -2.53 114.58 124.84 3k17 h GLU 340 Ca 0.09 -0.24 0.04 0.00 -0.13 0.00 0.00 59.36 59.12 3k17 h GLU 340 Cb 0.25 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 3k17 h GLU 340 CO -0.00 0.87 0.24 -1.49 -0.73 0.00 0.00 179.01 177.89 3k17 h TRP 341 N 0.77 0.43 -0.13 0.92 6.55 -1.08 0.37 115.95 123.79 3k17 h TRP 341 Ca 0.16 0.02 -0.01 0.00 0.95 0.00 0.00 58.89 60.01 3k17 h TRP 341 Cb 0.42 -0.13 -0.01 0.00 -0.86 0.00 0.00 29.16 28.58 3k17 h TRP 341 CO 0.03 0.21 0.03 0.93 -1.05 0.00 0.00 178.44 178.59 3k17 h GLU 342 N 0.47 0.17 -0.03 0.49 5.08 -1.23 0.28 114.58 119.82 3k17 h GLU 342 Ca 0.21 -0.02 -0.20 0.00 -1.00 0.00 0.00 59.36 58.35 3k17 h GLU 342 Cb 0.12 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 3k17 h GLU 342 CO -0.15 0.17 -0.85 0.87 -1.00 0.00 0.00 179.01 178.04 3k17 h LYS 343 N 0.17 0.35 0.00 2.33 1.57 -0.77 -3.09 116.57 117.14 3k17 h LYS 343 Ca 0.04 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 3k17 h LYS 343 Cb 0.07 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3k17 h LYS 343 CO -0.00 1.02 0.00 1.28 -0.57 0.00 0.00 179.45 181.17 3k17 n LEU 344 N -3.76 0.00 0.00 2.94 4.77 -0.01 -4.88 117.00 116.06 3k17 n LEU 344 Ca -0.05 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 3k17 n LEU 344 Cb 0.78 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 3k17 n LEU 344 CO 0.49 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 3k17 n GLY 345 N 1.09 1.19 3.50 -0.72 0.00 -0.62 -5.07 105.19 104.55 3k17 n GLY 345 Ca 0.11 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.00 4.32 -0.14 -0.61 1.01 0.87 -4.90 121.20 119.75 3k17 s ILE 346 Ca 0.00 -0.18 -0.29 0.00 0.00 0.00 0.00 60.65 60.17 3k17 s ILE 346 Cb 0.00 -2.98 -0.01 0.00 0.01 0.00 0.00 42.46 39.48 3k17 s ILE 346 CO 0.00 0.40 1.06 -0.75 0.00 0.00 0.00 174.94 175.65 3k17 s LYS 347 N 1.08 4.35 0.22 2.79 2.20 -1.26 -3.36 119.74 125.77 3k17 s LYS 347 Ca 0.04 1.44 -0.26 0.00 -0.36 0.00 0.00 55.97 56.83 3k17 s LYS 347 Cb -0.14 -3.59 -0.09 0.00 -1.51 0.00 0.00 37.83 32.50 3k17 s LYS 347 CO 0.03 -0.46 0.84 -1.58 -0.36 0.00 0.00 175.35 173.81 3k17 s HIS 348 N 2.53 3.85 -0.40 4.03 5.65 -1.26 0.11 115.29 129.80 3k17 s HIS 348 Ca 0.48 1.70 0.02 0.00 0.25 0.00 0.00 55.06 57.51 3k17 s HIS 348 Cb -0.18 -2.83 0.12 0.00 -1.18 0.00 0.00 32.58 28.51 3k17 s HIS 348 CO 0.14 0.42 0.17 -0.51 -0.65 0.00 0.00 174.74 174.32 3k17 s LEU 349 N -1.45 3.18 0.10 8.88 1.43 -0.17 -4.90 118.68 125.76 3k17 s LEU 349 Ca 0.41 -2.35 -0.34 0.00 -1.03 0.00 0.00 54.13 50.82 3k17 s LEU 349 Cb -0.22 -1.19 -0.18 0.00 0.03 0.00 0.00 46.19 44.63 3k17 s LEU 349 CO 0.26 -0.32 0.81 -2.65 0.23 0.00 0.00 176.35 174.69 3k17 n PRO 350 N 3.93 0.04 -4.77 1.29 -0.02 -1.26 -4.29 135.00 129.92 3k17 n PRO 350 Ca 0.04 0.01 -0.32 0.00 -2.02 0.00 0.00 63.50 61.22 3k17 n PRO 350 Cb 0.37 -1.28 -0.13 0.00 -0.02 0.00 0.00 33.50 32.45 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 -0.48 2.65 -0.12 6.00 5.36 -1.26 -4.88 117.98 125.25 3k17 s PHE 351 Ca 0.78 -0.19 -0.08 0.00 -0.96 0.00 0.00 56.93 56.47 3k17 s PHE 351 Cb -1.09 -1.56 0.04 0.00 -0.34 0.00 0.00 43.02 40.07 3k17 s PHE 351 CO 0.56 0.22 0.30 -1.01 -1.46 0.00 0.00 175.22 173.84 3k17 s HIS 352 N -0.83 -0.39 0.03 10.12 3.76 -1.26 -5.02 115.29 121.69 3k17 s HIS 352 Ca 0.13 0.91 -0.34 0.00 -0.15 0.00 0.00 55.06 55.61 3k17 s HIS 352 Cb -0.11 0.12 -0.13 0.00 1.11 0.00 0.00 32.58 33.58 3k17 s HIS 352 CO 0.03 -0.23 1.74 2.41 -0.85 0.00 0.00 174.74 177.84 3k17 n THR 353 N 3.76 0.32 -1.74 1.30 -1.04 -1.26 -1.36 114.28 114.26 3k17 n THR 353 Ca -0.20 -0.06 -0.33 0.00 -2.04 0.00 0.00 64.05 61.42 3k17 n THR 353 Cb 0.55 -1.71 0.05 0.00 -1.82 0.00 0.00 70.33 67.40 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 2.62 2.07 -0.15 3.41 0.00 -0.46 -4.65 107.32 110.16 3k17 s GLY 354 Ca 0.86 0.46 -0.14 0.00 0.00 0.00 0.00 44.72 45.90 3k17 s GLY 354 CO 0.45 0.81 0.41 0.50 0.00 0.00 0.00 173.10 175.27 3k17 s ARG 355 N -4.23 0.48 0.09 2.90 0.52 -1.26 -1.62 118.95 115.83 3k17 s ARG 355 Ca 0.65 0.55 -0.31 0.00 -0.52 0.00 0.00 55.73 56.10 3k17 s ARG 355 Cb -0.19 0.23 -0.07 0.00 0.52 0.00 0.00 34.95 35.44 3k17 s ARG 355 CO 0.43 -0.06 1.36 0.08 0.02 0.00 0.00 175.30 177.13 3k17 s VAL 356 N 0.18 3.47 -0.24 3.52 1.01 -1.26 -4.55 120.40 122.53 3k17 s VAL 356 Ca -0.00 1.04 0.01 0.00 0.00 0.00 0.00 61.98 63.03 3k17 s VAL 356 Cb -0.03 -3.67 0.06 0.00 0.00 0.00 0.00 36.38 32.74 3k17 s VAL 356 CO 0.01 0.07 -0.07 -1.10 0.00 0.00 0.00 175.10 174.01 3k17 s GLN 357 N 1.22 1.82 -0.30 2.72 -0.21 -0.77 -5.01 119.66 119.14 3k17 s GLN 357 Ca 0.64 -1.07 -0.01 0.00 0.02 0.00 0.00 55.36 54.94 3k17 s GLN 357 Cb -0.35 -2.65 0.05 0.00 1.00 0.00 0.00 33.01 31.06 3k17 s GLN 357 CO 0.30 -0.57 -0.02 0.42 -2.12 0.00 0.00 175.29 173.30 3k17 s ILE 358 N 1.32 2.82 0.10 1.08 1.01 -1.26 -0.81 121.20 125.45 3k17 s ILE 358 Ca -0.06 -1.47 0.03 0.00 0.00 0.00 0.00 60.65 59.14 3k17 s ILE 358 Cb -0.19 -2.65 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 3k17 s ILE 358 CO -0.06 -0.12 -0.08 0.42 0.00 0.00 0.00 174.94 175.10 3k17 s THR 359 N 1.21 0.80 -0.19 2.92 -4.23 -0.75 -5.02 115.64 110.38 3k17 s THR 359 Ca -0.05 -1.77 0.13 0.00 -1.18 0.00 0.00 61.69 58.81 3k17 s THR 359 Cb -0.20 -1.49 0.42 0.00 1.34 0.00 0.00 72.50 72.57 3k17 s THR 359 CO -0.02 -0.72 1.21 -0.62 -0.54 0.00 0.00 174.62 173.94 3k17 n GLU 360 N 0.28 1.47 0.00 3.99 1.02 -1.26 -0.99 120.64 125.15 3k17 n GLU 360 Ca -0.14 -3.19 0.00 0.00 -0.02 0.00 0.00 57.16 53.81 3k17 n GLU 360 Cb 0.59 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 3k17 n GLU 360 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72