#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q22 h ASP 19 N 0.00 0.15 0.42 -3.46 3.58 -2.05 -2.21 116.42 112.84 1q22 h ASP 19 Ca 0.00 -0.84 -0.08 0.00 0.42 0.00 0.00 57.03 56.53 1q22 h ASP 19 Cb 0.00 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 40.99 1q22 h ASP 19 CO 0.00 0.97 -0.38 -0.29 -2.88 0.00 0.00 179.24 176.66 1q22 h ILE 20 N -0.65 1.23 -0.28 2.25 2.10 -2.05 -2.62 117.51 117.48 1q22 h ILE 20 Ca -0.03 -1.32 -0.11 0.00 1.08 0.00 0.00 64.86 64.48 1q22 h ILE 20 Cb 1.01 1.72 -0.00 0.00 -1.09 0.00 0.00 36.82 38.45 1q22 h ILE 20 CO 0.04 0.37 -0.25 -1.28 -1.08 0.00 0.00 178.15 175.95 1q22 h SER 21 N 0.00 0.70 -0.38 2.19 0.87 -2.00 -1.59 113.55 113.35 1q22 h SER 21 Ca -0.00 -0.46 -0.04 0.00 -1.23 0.00 0.00 61.79 60.06 1q22 h SER 21 Cb 0.69 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.44 1q22 h SER 21 CO 0.05 1.02 0.10 -0.33 -0.53 0.00 0.00 176.83 177.14 1q22 h GLU 22 N 0.40 0.60 0.54 2.24 3.07 -1.29 -3.02 114.58 117.12 1q22 h GLU 22 Ca 0.05 -0.14 -0.02 0.00 -0.50 0.00 0.00 59.36 58.75 1q22 h GLU 22 Cb 0.81 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.63 1q22 h GLU 22 CO 0.06 0.63 -0.39 0.82 -1.40 0.00 0.00 179.01 178.74 1q22 h ILE 23 N 0.46 0.22 -0.89 3.13 2.04 -1.45 -3.06 117.51 117.96 1q22 h ILE 23 Ca 0.12 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.22 1q22 h ILE 23 Cb 0.30 0.22 -0.14 0.00 -0.74 0.00 0.00 36.82 36.46 1q22 h ILE 23 CO 0.00 0.00 0.32 0.28 0.00 0.00 0.00 178.15 178.75 1q22 h SER 24 N -0.90 0.15 0.77 1.72 0.02 -1.28 0.10 113.55 114.14 1q22 h SER 24 Ca -0.06 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1q22 h SER 24 Cb 0.75 0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.50 1q22 h SER 24 CO 0.03 -0.11 0.00 0.00 -1.14 0.00 0.00 176.83 175.61 1q22 n GLN 25 N -5.15 0.12 -0.03 3.45 6.02 -1.14 -2.66 117.38 117.98 1q22 n GLN 25 Ca 0.22 0.30 0.12 0.00 -0.01 0.00 0.00 57.00 57.64 1q22 n GLN 25 Cb 0.70 -1.71 0.25 0.00 1.02 0.00 0.00 30.24 30.51 1q22 n GLN 25 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1q22 n LYS 26 N -1.93 2.13 -1.86 -1.09 5.02 0.34 -4.95 118.16 115.82 1q22 n LYS 26 Ca 0.03 -1.65 -0.42 0.00 -2.02 0.00 0.00 58.31 54.25 1q22 n LYS 26 Cb 0.24 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.76 1q22 n LYS 26 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1q22 s LEU 27 N -1.90 4.37 0.33 -0.35 1.43 -1.09 -4.89 118.68 116.59 1q22 s LEU 27 Ca 0.33 2.45 0.14 0.00 -1.03 0.00 0.00 54.13 56.02 1q22 s LEU 27 Cb 0.20 -3.54 0.56 0.00 0.03 0.00 0.00 46.19 43.45 1q22 s LEU 27 CO 0.31 -0.97 1.70 -0.65 0.23 0.00 0.00 176.35 176.97 1q22 h PRO 28 N 9.77 0.00 -2.74 1.29 0.11 -1.83 -3.48 132.00 135.13 1q22 h PRO 28 Ca -0.44 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.59 1q22 h PRO 28 Cb 1.20 0.00 0.04 0.00 0.11 0.00 0.00 31.00 32.35 1q22 h PRO 28 CO 0.95 0.48 -0.18 0.41 -0.21 0.00 0.00 178.00 179.44 1q22 n GLY 29 N 0.08 0.32 3.01 -0.55 0.00 -1.25 -4.96 105.19 101.84 1q22 n GLY 29 Ca -0.01 -0.36 -0.19 0.00 0.00 0.00 0.00 46.02 45.46 1q22 n GLY 29 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1q22 n GLU 30 N -1.73 0.42 -4.41 1.61 1.02 -1.25 -3.43 120.64 112.87 1q22 n GLU 30 Ca -0.06 -3.12 -0.21 0.00 -0.02 0.00 0.00 57.16 53.75 1q22 n GLU 30 Cb 0.54 2.41 -0.10 0.00 -0.02 0.00 0.00 31.44 34.27 1q22 n GLU 30 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1q22 s TYR 31 N -3.21 1.99 0.07 -0.32 2.02 -1.26 -0.49 117.35 116.15 1q22 s TYR 31 Ca 0.34 -0.50 -0.02 0.00 -0.37 0.00 0.00 57.07 56.53 1q22 s TYR 31 Cb 0.02 -0.94 -0.04 0.00 -0.40 0.00 0.00 41.96 40.60 1q22 s TYR 31 CO 0.24 0.49 0.01 -0.59 -1.57 0.00 0.00 175.55 174.13 1q22 s PHE 32 N -2.79 0.58 -0.03 2.71 -0.12 -0.44 -4.80 117.98 113.09 1q22 s PHE 32 Ca 0.27 -1.07 0.04 0.00 -0.05 0.00 0.00 56.93 56.12 1q22 s PHE 32 Cb -0.02 -0.38 -0.03 0.00 -0.63 0.00 0.00 43.02 41.96 1q22 s PHE 32 CO 0.11 -0.43 -0.15 1.03 -0.05 0.00 0.00 175.22 175.73 1q22 s ARG 33 N -3.95 2.41 -0.21 1.99 0.52 -1.26 -0.58 118.95 117.87 1q22 s ARG 33 Ca 0.11 -0.76 -0.00 0.00 -0.52 0.00 0.00 55.73 54.56 1q22 s ARG 33 Cb 0.08 -2.34 0.06 0.00 0.52 0.00 0.00 34.95 33.27 1q22 s ARG 33 CO -0.07 0.60 -0.03 -0.47 0.02 0.00 0.00 175.30 175.35 1q22 s TYR 34 N -0.78 1.89 -1.40 -0.53 5.04 -0.27 -4.78 117.35 116.51 1q22 s TYR 34 Ca 0.12 -1.38 -0.04 0.00 -2.44 0.00 0.00 57.07 53.33 1q22 s TYR 34 Cb -0.11 -1.38 0.03 0.00 0.35 0.00 0.00 41.96 40.85 1q22 s TYR 34 CO 0.02 -0.70 0.70 1.63 -1.34 0.00 0.00 175.55 175.86 1q22 n LYS 35 N 4.81 -4.59 -0.42 4.97 5.02 -1.26 -1.53 118.16 125.16 1q22 n LYS 35 Ca -0.11 0.55 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 1q22 n LYS 35 Cb 0.46 -5.10 0.00 0.00 -0.02 0.00 0.00 35.03 30.37 1q22 n LYS 35 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1q22 n GLY 36 N -1.69 2.01 3.74 0.72 0.00 -1.26 -5.03 105.19 103.67 1q22 n GLY 36 Ca -0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 1q22 n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q22 s VAL 37 N -3.36 4.79 0.01 1.61 1.01 -0.58 -4.99 120.40 118.89 1q22 s VAL 37 Ca 0.00 -0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.62 1q22 s VAL 37 Cb 0.00 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 1q22 s VAL 37 CO 0.00 0.58 1.09 -2.84 0.00 0.00 0.00 175.10 173.93 1q22 s PRO 38 N -0.69 4.48 -0.01 2.72 0.02 -1.26 -1.12 135.00 139.14 1q22 s PRO 38 Ca 0.12 1.58 0.05 0.00 0.02 0.00 0.00 61.00 62.76 1q22 s PRO 38 Cb -0.12 -3.44 -0.01 0.00 0.02 0.00 0.00 34.50 30.95 1q22 s PRO 38 CO 0.02 -0.20 -0.15 -0.06 -0.33 0.00 0.00 177.00 176.28 1q22 s PHE 39 N 1.26 1.39 0.21 6.54 0.40 0.25 0.25 117.98 128.28 1q22 s PHE 39 Ca 0.55 -0.27 -0.31 0.00 -0.60 0.00 0.00 56.93 56.30 1q22 s PHE 39 Cb -0.24 -0.89 -0.10 0.00 0.51 0.00 0.00 43.02 42.30 1q22 s PHE 39 CO 0.27 -0.02 1.52 -2.14 0.70 0.00 0.00 175.22 175.55 1q22 s PRO 40 N -0.39 4.23 0.36 0.24 0.02 -1.26 -1.32 135.00 136.86 1q22 s PRO 40 Ca 0.06 2.36 -0.27 0.00 0.02 0.00 0.00 61.00 63.17 1q22 s PRO 40 Cb -0.06 -3.12 -0.09 0.00 0.02 0.00 0.00 34.50 31.24 1q22 s PRO 40 CO -0.01 -0.54 1.21 0.08 -0.33 0.00 0.00 177.00 177.42 1q22 s VAL 41 N 0.59 3.03 0.00 3.83 1.01 0.36 -3.49 120.40 125.72 1q22 s VAL 41 Ca 0.65 0.95 0.00 0.00 0.00 0.00 0.00 61.98 63.58 1q22 s VAL 41 Cb -0.43 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.37 1q22 s VAL 41 CO 0.37 0.16 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1q22 n GLY 42 N 0.79 2.97 0.98 4.51 0.00 -1.26 -4.65 105.19 108.53 1q22 n GLY 42 Ca 0.02 -0.79 0.12 0.00 0.00 0.00 0.00 46.02 45.37 1q22 n GLY 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q22 n LEU 43 N 0.00 3.01 -3.85 0.99 4.77 -1.25 -4.92 117.00 115.75 1q22 n LEU 43 Ca 0.00 -1.12 -0.11 0.00 -0.03 0.00 0.00 56.01 54.76 1q22 n LEU 43 Cb 0.00 -0.09 -0.09 0.00 -2.33 0.00 0.00 43.42 40.92 1q22 n LEU 43 CO 0.00 0.56 -0.11 -0.31 -1.33 0.00 0.00 177.39 176.20 1q22 s TYR 44 N -1.83 0.05 0.09 -1.77 2.02 -1.23 -2.19 117.35 112.49 1q22 s TYR 44 Ca 0.32 -0.23 -0.09 0.00 -0.37 0.00 0.00 57.07 56.70 1q22 s TYR 44 Cb 0.21 -0.03 0.00 0.00 -0.40 0.00 0.00 41.96 41.74 1q22 s TYR 44 CO 0.31 -0.40 0.20 -1.54 -1.57 0.00 0.00 175.55 172.55 1q22 s SER 45 N -1.92 0.09 0.28 2.29 1.04 -1.26 -4.77 113.70 109.45 1q22 s SER 45 Ca -0.07 -0.62 0.02 0.00 0.48 0.00 0.00 55.95 55.76 1q22 s SER 45 Cb -0.02 0.35 0.68 0.00 0.10 0.00 0.00 66.02 67.12 1q22 s SER 45 CO -0.02 -0.73 1.69 0.25 0.98 0.00 0.00 173.24 175.41 1q22 h LEU 46 N 2.76 0.27 -0.16 2.42 5.85 -1.97 -1.28 115.31 123.20 1q22 h LEU 46 Ca -0.34 0.15 -0.14 0.00 0.84 0.00 0.00 57.88 58.40 1q22 h LEU 46 Cb 1.20 0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.38 1q22 h LEU 46 CO 0.55 -0.01 -0.44 -0.33 -0.34 0.00 0.00 178.44 177.88 1q22 h GLU 47 N 0.38 0.58 -0.85 1.25 3.07 -1.98 -0.06 114.58 116.97 1q22 h GLU 47 Ca 0.54 -0.41 -0.01 0.00 -0.50 0.00 0.00 59.36 58.97 1q22 h GLU 47 Cb 1.00 0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 28.93 1q22 h GLU 47 CO -0.53 1.03 0.48 0.66 -1.40 0.00 0.00 179.01 179.24 1q22 h SER 48 N 0.23 1.05 0.05 1.42 4.64 -1.60 -0.77 113.55 118.57 1q22 h SER 48 Ca -0.01 -0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1q22 h SER 48 Cb 1.05 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1q22 h SER 48 CO 0.09 0.84 -0.02 0.40 -0.87 0.00 0.00 176.83 177.27 1q22 h ILE 49 N 1.19 1.31 -0.95 0.95 2.04 -1.30 -3.11 117.51 117.65 1q22 h ILE 49 Ca 0.30 -1.45 0.21 0.00 1.00 0.00 0.00 64.86 64.92 1q22 h ILE 49 Cb 0.01 2.23 -0.12 0.00 -0.74 0.00 0.00 36.82 38.21 1q22 h ILE 49 CO -0.05 0.35 0.51 -1.28 0.00 0.00 0.00 178.15 177.68 1q22 h SER 50 N -0.74 0.58 -0.29 1.72 0.87 -0.87 -0.59 113.55 114.23 1q22 h SER 50 Ca -0.01 0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 1q22 h SER 50 Cb 0.63 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.61 1q22 h SER 50 CO 0.01 0.13 0.16 0.25 -0.53 0.00 0.00 176.83 176.85 1q22 h LEU 51 N 0.58 0.36 -0.80 2.23 5.85 -1.17 -1.46 115.31 120.89 1q22 h LEU 51 Ca 0.58 -0.09 -0.11 0.00 0.84 0.00 0.00 57.88 59.09 1q22 h LEU 51 Cb 1.01 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 1q22 h LEU 51 CO -0.45 0.35 -0.29 0.00 -0.34 0.00 0.00 178.44 177.71 1q22 h ALA 52 N 1.03 0.98 -0.42 1.25 0.00 -1.18 0.21 119.26 121.14 1q22 h ALA 52 Ca 0.10 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 1q22 h ALA 52 Cb 0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1q22 h ALA 52 CO -0.02 0.60 0.05 1.49 0.00 0.00 0.00 179.25 181.38 1q22 h GLU 53 N 0.49 0.70 0.00 0.00 4.81 -0.96 -3.29 114.58 116.34 1q22 h GLU 53 Ca 0.06 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1q22 h GLU 53 Cb 0.75 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.05 1q22 h GLU 53 CO 0.06 0.75 -0.92 0.09 -0.73 0.00 0.00 179.01 178.26 1q22 n ASN 54 N -4.48 0.90 -4.55 1.04 3.02 -0.57 -1.63 115.26 108.99 1q22 n ASN 54 Ca -0.00 -0.93 -0.38 0.00 -0.03 0.00 0.00 54.58 53.23 1q22 n ASN 54 Cb 0.25 1.02 0.04 0.00 -0.61 0.00 0.00 39.78 40.48 1q22 n ASN 54 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1q22 n THR 55 N -1.47 2.95 0.86 3.41 5.66 0.75 -4.89 114.28 121.55 1q22 n THR 55 Ca 0.03 -0.50 0.10 0.00 -3.05 0.00 0.00 64.05 60.64 1q22 n THR 55 Cb 0.30 -0.93 -0.11 0.00 -1.55 0.00 0.00 70.33 68.04 1q22 n THR 55 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1q22 n GLN 56 N -0.48 0.09 -2.19 1.09 1.13 -1.26 -4.53 117.38 111.23 1q22 n GLN 56 Ca 0.12 -0.03 -0.33 0.00 -1.94 0.00 0.00 57.00 54.83 1q22 n GLN 56 Cb 0.46 -1.51 -0.04 0.00 0.11 0.00 0.00 30.24 29.27 1q22 n GLN 56 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1q22 n ASP 57 N -1.61 3.59 -4.01 1.08 2.03 -1.26 -4.88 116.55 111.49 1q22 n ASP 57 Ca 0.03 -2.76 -0.28 0.00 0.52 0.00 0.00 54.79 52.29 1q22 n ASP 57 Cb 0.36 -1.73 -0.17 0.00 -0.72 0.00 0.00 41.12 38.86 1q22 n ASP 57 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1q22 s VAL 58 N 9.01 1.41 0.18 5.18 1.01 -1.26 -5.11 120.40 130.82 1q22 s VAL 58 Ca 0.64 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 62.12 1q22 s VAL 58 Cb 0.01 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 1q22 s VAL 58 CO 0.12 0.43 0.09 -0.13 0.00 0.00 0.00 175.10 175.60 1q22 s ARG 59 N 1.26 2.69 0.52 2.72 0.52 -1.26 -4.96 118.95 120.43 1q22 s ARG 59 Ca -0.01 -1.01 0.18 0.00 -0.52 0.00 0.00 55.73 54.37 1q22 s ARG 59 Cb -0.14 -2.51 1.29 0.00 0.52 0.00 0.00 34.95 34.11 1q22 s ARG 59 CO -0.05 0.46 2.10 -0.44 0.02 0.00 0.00 175.30 177.38 1q22 h ASP 60 N 2.38 0.03 -0.50 0.23 3.32 -1.98 -1.91 116.42 118.00 1q22 h ASP 60 Ca -0.47 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1q22 h ASP 60 Cb 1.21 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1q22 h ASP 60 CO 0.61 0.02 0.00 -0.90 -1.72 0.00 0.00 179.24 177.25 1q22 n ASP 61 N -4.49 3.36 -4.75 6.45 5.75 -1.26 -3.86 116.55 117.75 1q22 n ASP 61 Ca 0.01 -1.97 -0.36 0.00 -0.01 0.00 0.00 54.79 52.46 1q22 n ASP 61 Cb 0.24 -0.33 0.03 0.00 -1.03 0.00 0.00 41.12 40.04 1q22 n ASP 61 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1q22 s ASP 62 N -1.05 5.22 -0.08 -1.12 -0.00 -0.72 -4.32 116.67 114.61 1q22 s ASP 62 Ca 0.35 2.42 0.01 0.00 -0.00 0.00 0.00 52.55 55.33 1q22 s ASP 62 Cb 0.19 -2.60 0.02 0.00 -0.00 0.00 0.00 42.92 40.52 1q22 s ASP 62 CO 0.25 -1.57 -0.08 -0.63 -0.00 0.00 0.00 175.17 173.13 1q22 s ILE 63 N -1.56 0.92 -0.07 0.77 1.01 0.54 -1.59 121.20 121.22 1q22 s ILE 63 Ca 0.77 -0.29 0.03 0.00 0.00 0.00 0.00 60.65 61.15 1q22 s ILE 63 Cb -0.31 -0.90 -0.02 0.00 0.01 0.00 0.00 42.46 41.23 1q22 s ILE 63 CO 0.34 0.33 -0.15 -0.36 0.00 0.00 0.00 174.94 175.10 1q22 s PHE 64 N 1.17 2.70 -0.26 3.97 0.08 -0.03 -0.15 117.98 125.45 1q22 s PHE 64 Ca -0.06 -0.34 -0.03 0.00 0.12 0.00 0.00 56.93 56.63 1q22 s PHE 64 Cb -0.14 -1.68 0.03 0.00 -0.57 0.00 0.00 43.02 40.65 1q22 s PHE 64 CO -0.02 0.04 -0.03 0.42 -0.10 0.00 0.00 175.22 175.53 1q22 s ILE 65 N -0.39 3.08 -0.07 0.64 1.01 -0.08 -1.04 121.20 124.36 1q22 s ILE 65 Ca 0.04 -1.00 0.04 0.00 0.00 0.00 0.00 60.65 59.73 1q22 s ILE 65 Cb -0.12 -2.59 -0.02 0.00 0.01 0.00 0.00 42.46 39.74 1q22 s ILE 65 CO 0.02 0.14 -0.19 -0.63 0.00 0.00 0.00 174.94 174.28 1q22 s ILE 66 N 1.35 2.58 0.19 2.92 1.01 -0.21 -1.11 121.20 127.93 1q22 s ILE 66 Ca -0.00 -0.87 -0.19 0.00 0.00 0.00 0.00 60.65 59.58 1q22 s ILE 66 Cb -0.17 -2.00 0.04 0.00 0.01 0.00 0.00 42.46 40.34 1q22 s ILE 66 CO -0.03 0.57 0.57 0.42 0.00 0.00 0.00 174.94 176.47 1q22 s THR 67 N -0.21 0.02 -0.04 2.92 -4.23 -0.92 -1.48 115.64 111.69 1q22 s THR 67 Ca -0.01 -0.59 -0.17 0.00 -1.18 0.00 0.00 61.69 59.75 1q22 s THR 67 Cb -0.13 -1.46 -0.05 0.00 1.34 0.00 0.00 72.50 72.19 1q22 s THR 67 CO 0.03 -0.08 0.45 -0.47 -0.54 0.00 0.00 174.62 174.02 1q22 s TYR 68 N -3.84 3.64 0.19 3.99 5.04 -1.26 -4.17 117.35 120.94 1q22 s TYR 68 Ca 0.07 0.98 -0.25 0.00 -2.44 0.00 0.00 57.07 55.42 1q22 s TYR 68 Cb -0.02 -2.43 -0.15 0.00 0.35 0.00 0.00 41.96 39.71 1q22 s TYR 68 CO -0.05 0.43 0.46 -2.30 -1.34 0.00 0.00 175.55 172.75 1q22 n PRO 69 N 2.62 0.00 -1.73 4.97 -0.02 -1.26 -2.94 135.00 136.64 1q22 n PRO 69 Ca -0.11 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.27 1q22 n PRO 69 Cb 0.52 -0.91 -0.02 0.00 -0.02 0.00 0.00 33.50 33.07 1q22 n PRO 69 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1q22 n LYS 70 N 0.91 -0.75 0.00 -0.52 4.76 -1.26 -4.92 118.16 116.39 1q22 n LYS 70 Ca 0.16 0.68 0.12 0.00 -2.87 0.00 0.00 58.31 56.40 1q22 n LYS 70 Cb 0.23 -4.67 0.11 0.00 -1.84 0.00 0.00 35.03 28.86 1q22 n LYS 70 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1q22 n SER 71 N 0.23 2.44 0.00 4.39 7.64 -1.15 -4.67 113.62 122.49 1q22 n SER 71 Ca -0.11 -1.73 0.00 0.00 1.01 0.00 0.00 58.87 58.04 1q22 n SER 71 Cb 0.46 0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.83 1q22 n SER 71 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1q22 n GLY 72 N 1.36 1.60 0.30 0.23 0.00 -1.26 -4.53 105.19 102.89 1q22 n GLY 72 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 1q22 n GLY 72 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1q22 h THR 73 N 0.00 0.43 -0.72 2.61 2.02 -1.92 -2.01 112.91 113.33 1q22 h THR 73 Ca 0.00 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.34 1q22 h THR 73 Cb 0.00 0.43 -0.13 0.00 -1.74 0.00 0.00 68.15 66.71 1q22 h THR 73 CO 0.00 0.00 -0.02 0.74 0.37 0.00 0.00 175.52 176.61 1q22 h THR 74 N -0.58 0.37 -0.13 3.16 2.02 -1.99 0.18 112.91 115.95 1q22 h THR 74 Ca -0.01 -0.03 0.03 0.00 0.77 0.00 0.00 66.41 67.17 1q22 h THR 74 Cb 0.53 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 1q22 h THR 74 CO -0.05 0.02 -0.06 -0.25 0.37 0.00 0.00 175.52 175.55 1q22 h TRP 75 N 0.09 -0.13 -0.50 3.16 2.91 -1.84 -1.87 115.95 117.77 1q22 h TRP 75 Ca 0.38 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.42 1q22 h TRP 75 Cb 0.66 0.08 -0.02 0.00 -0.51 0.00 0.00 29.16 29.36 1q22 h TRP 75 CO -0.43 -0.09 0.31 1.98 -1.03 0.00 0.00 178.44 179.18 1q22 h MET 76 N -0.04 0.67 -0.55 2.65 4.05 -0.22 -2.00 114.93 119.50 1q22 h MET 76 Ca 0.07 -0.05 0.06 0.00 -0.28 0.00 0.00 59.70 59.50 1q22 h MET 76 Cb 0.15 -0.15 -0.05 0.00 -0.80 0.00 0.00 31.60 30.75 1q22 h MET 76 CO -0.16 0.47 0.26 0.82 0.23 0.00 0.00 176.91 178.53 1q22 h ILE 77 N 0.67 0.91 -0.55 1.77 2.04 -0.41 -1.94 117.51 119.99 1q22 h ILE 77 Ca 0.18 -0.17 -0.07 0.00 1.00 0.00 0.00 64.86 65.80 1q22 h ILE 77 Cb -0.04 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.39 1q22 h ILE 77 CO -0.04 0.09 0.05 -0.08 0.00 0.00 0.00 178.15 178.17 1q22 h GLU 78 N 0.49 0.91 -0.68 2.37 4.57 -1.19 -1.57 114.58 119.49 1q22 h GLU 78 Ca 0.25 -0.24 -0.06 0.00 -1.18 0.00 0.00 59.36 58.14 1q22 h GLU 78 Cb 0.20 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.65 1q22 h GLU 78 CO -0.20 0.87 0.20 0.82 -1.18 0.00 0.00 179.01 179.53 1q22 h ILE 79 N 0.85 1.25 0.00 2.32 2.04 -0.65 -1.99 117.51 121.34 1q22 h ILE 79 Ca 0.17 -0.87 -0.14 0.00 1.00 0.00 0.00 64.86 65.02 1q22 h ILE 79 Cb 0.43 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1q22 h ILE 79 CO 0.01 0.34 -0.77 0.40 0.00 0.00 0.00 178.15 178.13 1q22 h ILE 80 N 1.00 1.01 -0.24 -0.67 2.04 -1.17 -1.64 117.51 117.85 1q22 h ILE 80 Ca 0.22 -2.48 -0.09 0.00 1.00 0.00 0.00 64.86 63.52 1q22 h ILE 80 Cb 0.29 2.47 -0.01 0.00 -0.74 0.00 0.00 36.82 38.83 1q22 h ILE 80 CO -0.01 0.57 -0.23 0.00 0.00 0.00 0.00 178.15 178.49 1q22 h LEU 82 N 0.39 0.75 -0.33 0.00 3.38 -1.26 -2.96 115.31 115.29 1q22 h LEU 82 Ca 0.06 -0.61 -0.03 0.00 0.09 0.00 0.00 57.88 57.39 1q22 h LEU 82 Cb 0.62 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1q22 h LEU 82 CO 0.04 1.42 0.10 0.40 0.09 0.00 0.00 178.44 180.49 1q22 h ILE 83 N 0.32 1.21 -0.83 1.22 2.04 -0.95 0.36 117.51 120.88 1q22 h ILE 83 Ca -0.11 -0.69 0.04 0.00 1.00 0.00 0.00 64.86 65.09 1q22 h ILE 83 Cb 1.67 1.04 -0.05 0.00 -0.74 0.00 0.00 36.82 38.75 1q22 h ILE 83 CO 0.19 0.23 0.54 -0.07 0.00 0.00 0.00 178.15 179.05 1q22 h LEU 84 N 0.38 0.88 -2.86 1.44 3.38 -1.08 -0.09 115.31 117.36 1q22 h LEU 84 Ca 0.11 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1q22 h LEU 84 Cb 0.26 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1q22 h LEU 84 CO -0.00 0.60 0.04 0.29 0.09 0.00 0.00 178.44 179.46 1q22 n LYS 85 N -4.45 3.59 -4.29 1.13 4.76 -1.11 -4.92 118.16 112.88 1q22 n LYS 85 Ca 0.11 -2.21 -0.37 0.00 -2.87 0.00 0.00 58.31 52.96 1q22 n LYS 85 Cb 0.12 -2.03 -0.04 0.00 -1.84 0.00 0.00 35.03 31.24 1q22 n LYS 85 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1q22 n GLU 86 N 0.34 -2.57 0.00 1.97 1.02 -0.05 -1.35 120.64 120.01 1q22 n GLU 86 Ca 0.22 0.31 0.00 0.00 -0.02 0.00 0.00 57.16 57.67 1q22 n GLU 86 Cb 0.96 -4.95 0.00 0.00 -0.02 0.00 0.00 31.44 27.43 1q22 n GLU 86 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1q22 n GLY 87 N -1.38 1.69 3.58 0.62 0.00 0.12 -4.64 105.19 105.18 1q22 n GLY 87 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1q22 n GLY 87 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1q22 s ASP 88 N -1.81 6.25 0.13 1.61 -1.08 -0.46 -4.58 116.67 116.74 1q22 s ASP 88 Ca 0.00 0.41 0.11 0.00 -0.52 0.00 0.00 52.55 52.55 1q22 s ASP 88 Cb 0.00 -2.55 0.56 0.00 -1.46 0.00 0.00 42.92 39.47 1q22 s ASP 88 CO 0.00 -1.59 1.34 -2.65 0.52 0.00 0.00 175.17 172.79 1q22 n PRO 89 N 8.44 0.06 -0.24 4.34 -0.02 -1.26 -3.82 135.00 142.51 1q22 n PRO 89 Ca 0.13 0.51 0.01 0.00 -2.02 0.00 0.00 63.50 62.14 1q22 n PRO 89 Cb 0.49 -1.69 0.09 0.00 -0.02 0.00 0.00 33.50 32.37 1q22 n PRO 89 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1q22 h SER 90 N 0.00 -0.58 -0.43 2.55 0.87 -1.97 -0.79 113.55 113.20 1q22 h SER 90 Ca 0.00 0.20 -0.02 0.00 -1.23 0.00 0.00 61.79 60.75 1q22 h SER 90 Cb 0.06 0.41 -0.02 0.00 -0.44 0.00 0.00 62.40 62.41 1q22 h SER 90 CO 0.00 -0.22 0.21 -0.25 -0.53 0.00 0.00 176.83 176.04 1q22 h TRP 91 N 0.02 0.62 0.00 2.24 7.01 -1.95 -2.32 115.95 121.57 1q22 h TRP 91 Ca 0.35 -0.03 -0.06 0.00 2.11 0.00 0.00 58.89 61.25 1q22 h TRP 91 Cb 0.55 -0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 27.41 1q22 h TRP 91 CO -0.53 0.50 -0.30 -0.84 -2.79 0.00 0.00 178.44 174.48 1q22 h ILE 92 N 0.55 0.63 0.00 2.65 3.07 -1.69 -0.90 117.51 121.83 1q22 h ILE 92 Ca 0.15 -1.45 -0.20 0.00 1.55 0.00 0.00 64.86 64.91 1q22 h ILE 92 Cb 0.11 1.98 -0.01 0.00 -0.27 0.00 0.00 36.82 38.63 1q22 h ILE 92 CO -0.02 0.29 -0.88 0.03 -1.05 0.00 0.00 178.15 176.53 1q22 h ARG 93 N 0.00 0.20 0.00 0.16 3.08 -1.00 -3.38 114.38 113.44 1q22 h ARG 93 Ca -0.00 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.83 1q22 h ARG 93 Cb 0.95 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.07 1q22 h ARG 93 CO 0.04 0.96 -1.51 -1.13 -1.07 0.00 0.00 179.97 177.25 1q22 n SER 94 N -3.66 0.94 -4.28 7.04 3.41 -0.89 -4.65 113.62 111.54 1q22 n SER 94 Ca -0.04 -0.26 -0.32 0.00 -0.26 0.00 0.00 58.87 58.00 1q22 n SER 94 Cb 0.81 1.57 -0.16 0.00 -0.26 0.00 0.00 64.21 66.16 1q22 n SER 94 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1q22 s VAL 95 N -3.04 2.18 0.26 -3.33 1.01 -0.35 -5.09 120.40 112.04 1q22 s VAL 95 Ca -0.03 -1.01 -0.31 0.00 0.00 0.00 0.00 61.98 60.63 1q22 s VAL 95 Cb 0.12 -1.81 -0.13 0.00 0.00 0.00 0.00 36.38 34.56 1q22 s VAL 95 CO 0.72 0.57 1.43 -2.65 0.00 0.00 0.00 175.10 175.16 1q22 n PRO 96 N 3.05 2.14 -0.29 2.72 -0.02 -1.26 -4.68 135.00 136.66 1q22 n PRO 96 Ca -0.18 0.76 0.09 0.00 -2.02 0.00 0.00 63.50 62.16 1q22 n PRO 96 Cb 0.52 -2.43 0.25 0.00 -0.02 0.00 0.00 33.50 31.82 1q22 n PRO 96 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1q22 h ILE 97 N 3.05 0.56 0.00 4.25 6.09 -1.66 0.09 117.51 129.89 1q22 h ILE 97 Ca -0.45 -0.15 0.00 0.00 -1.37 0.00 0.00 64.86 62.89 1q22 h ILE 97 Cb 1.27 0.09 0.00 0.00 0.47 0.00 0.00 36.82 38.65 1q22 h ILE 97 CO 0.75 0.08 0.00 -2.67 -3.07 0.00 0.00 178.15 173.24 1q22 n TRP 98 N -5.02 0.00 -0.05 2.19 2.14 -1.26 -2.23 117.44 113.21 1q22 n TRP 98 Ca 0.19 0.00 -0.04 0.00 2.07 0.00 0.00 57.50 59.72 1q22 n TRP 98 Cb 0.54 -0.45 -0.15 0.00 -0.81 0.00 0.00 31.31 30.45 1q22 n TRP 98 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 1q22 n GLU 99 N -1.45 0.67 0.13 -2.67 1.02 -0.03 -3.27 120.64 115.05 1q22 n GLU 99 Ca 0.05 0.01 0.01 0.00 -0.02 0.00 0.00 57.16 57.21 1q22 n GLU 99 Cb 0.18 -1.59 0.08 0.00 -0.02 0.00 0.00 31.44 30.09 1q22 n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1q22 h ARG 100 N 0.00 0.00 -1.35 3.49 3.08 -0.97 -3.38 114.38 115.26 1q22 h ARG 100 Ca -0.35 0.00 -0.42 0.00 0.07 0.00 0.00 59.98 59.28 1q22 h ARG 100 Cb 1.86 0.00 -0.31 0.00 0.08 0.00 0.00 29.97 31.60 1q22 h ARG 100 CO 0.03 0.59 -0.93 0.00 -1.07 0.00 0.00 179.97 178.59 1q22 n ALA 101 N -2.28 1.13 -1.43 0.04 0.00 -1.12 -4.56 120.51 112.28 1q22 n ALA 101 Ca 0.01 -2.76 -0.39 0.00 0.00 0.00 0.00 53.44 50.30 1q22 n ALA 101 Cb 0.72 -1.00 0.02 0.00 0.00 0.00 0.00 19.45 19.20 1q22 n ALA 101 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1q22 n PRO 102 N 0.84 0.46 -2.99 0.00 -0.02 -1.20 -3.35 135.00 128.73 1q22 n PRO 102 Ca 0.18 0.17 -0.39 0.00 -2.02 0.00 0.00 63.50 61.44 1q22 n PRO 102 Cb 0.62 -1.54 -0.06 0.00 -0.02 0.00 0.00 33.50 32.50 1q22 n PRO 102 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1q22 s TRP 103 N -1.70 3.87 0.06 6.00 0.52 -1.26 -0.82 118.94 125.61 1q22 s TRP 103 Ca 0.65 1.59 -0.18 0.00 0.02 0.00 0.00 56.10 58.19 1q22 s TRP 103 Cb -0.50 -2.77 -0.14 0.00 -1.15 0.00 0.00 33.47 28.92 1q22 s TRP 103 CO 0.57 0.48 1.31 0.00 0.02 0.00 0.00 176.95 179.33 1q22 h GLU 105 N 0.17 0.00 -7.05 0.00 9.09 -1.84 -3.41 114.58 111.55 1q22 h GLU 105 Ca 0.01 0.00 -0.52 0.00 0.05 0.00 0.00 59.36 58.90 1q22 h GLU 105 Cb 0.94 0.00 0.09 0.00 -1.65 0.00 0.00 28.75 28.13 1q22 h GLU 105 CO 0.08 0.00 0.49 0.95 0.05 0.00 0.00 179.01 180.58 1q22 s THR 106 N -3.19 2.82 0.50 -1.06 -4.23 -1.25 -3.60 115.64 105.62 1q22 s THR 106 Ca 0.06 0.57 0.26 0.00 -1.18 0.00 0.00 61.69 61.40 1q22 s THR 106 Cb 0.12 -3.26 0.44 0.00 1.34 0.00 0.00 72.50 71.13 1q22 s THR 106 CO 0.70 -0.06 1.90 0.40 -0.54 0.00 0.00 174.62 177.02 1q22 h ILE 107 N 1.41 0.62 -3.17 2.99 2.04 -1.78 -2.11 117.51 117.51 1q22 h ILE 107 Ca -0.50 -0.04 -0.70 0.00 1.00 0.00 0.00 64.86 64.62 1q22 h ILE 107 Cb 1.27 0.49 -0.36 0.00 -0.74 0.00 0.00 36.82 37.49 1q22 h ILE 107 CO 0.58 0.02 -0.07 0.52 0.00 0.00 0.00 178.15 179.20 1q22 n VAL 108 N -4.36 3.13 -3.69 1.67 0.31 -1.26 -4.94 118.33 109.18 1q22 n VAL 108 Ca 0.17 -5.19 -0.21 0.00 -0.01 0.00 0.00 64.34 59.10 1q22 n VAL 108 Cb 0.82 -2.32 -0.03 0.00 -0.91 0.00 0.00 33.84 31.39 1q22 n VAL 108 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1q22 s GLY 109 N -0.54 1.88 0.60 2.92 0.00 -0.80 -4.70 107.32 106.67 1q22 s GLY 109 Ca 0.29 -1.71 0.29 0.00 0.00 0.00 0.00 44.72 43.59 1q22 s GLY 109 CO -0.10 -1.60 1.94 0.00 0.00 0.00 0.00 173.10 173.34 1q22 h ALA 110 N 1.15 1.99 0.00 3.20 0.00 -1.76 0.65 119.26 124.48 1q22 h ALA 110 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1q22 h ALA 110 Cb 1.26 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1q22 h ALA 110 CO 0.57 -0.58 -0.32 1.19 0.00 0.00 0.00 179.25 180.11 1q22 n PHE 111 N -3.62 0.32 -1.68 0.00 0.99 -1.26 -3.43 117.46 108.78 1q22 n PHE 111 Ca 0.06 0.09 -0.19 0.00 -0.00 0.00 0.00 57.45 57.41 1q22 n PHE 111 Cb 0.56 -0.55 0.10 0.00 -1.00 0.00 0.00 39.48 38.59 1q22 n PHE 111 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 1q22 n SER 112 N -1.80 4.60 -3.76 4.37 3.41 0.22 -4.99 113.62 115.67 1q22 n SER 112 Ca 0.05 -3.78 -0.10 0.00 -0.26 0.00 0.00 58.87 54.78 1q22 n SER 112 Cb 0.38 -0.58 -0.06 0.00 -0.26 0.00 0.00 64.21 63.69 1q22 n SER 112 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1q22 s LEU 113 N -3.53 0.96 0.51 1.04 1.43 -1.13 -4.68 118.68 113.29 1q22 s LEU 113 Ca 0.52 -0.44 -0.12 0.00 -1.03 0.00 0.00 54.13 53.06 1q22 s LEU 113 Cb 0.43 1.38 -0.06 0.00 0.03 0.00 0.00 46.19 47.97 1q22 s LEU 113 CO 0.01 -0.75 0.92 -2.84 0.23 0.00 0.00 176.35 173.92 1q22 s PRO 114 N -3.57 3.75 1.38 1.29 0.02 -1.26 -4.97 135.00 131.64 1q22 s PRO 114 Ca 0.02 0.67 -0.22 0.00 0.02 0.00 0.00 61.00 61.49 1q22 s PRO 114 Cb 0.03 -2.22 0.35 0.00 0.02 0.00 0.00 34.50 32.68 1q22 s PRO 114 CO -0.10 -0.29 0.96 -0.51 -0.33 0.00 0.00 177.00 176.74 1q22 s ASP 115 N -3.55 -0.69 -0.26 2.53 1.01 -1.26 -5.11 116.67 109.34 1q22 s ASP 115 Ca 0.54 0.88 -0.24 0.00 0.71 0.00 0.00 52.55 54.44 1q22 s ASP 115 Cb -0.10 -1.25 -0.10 0.00 1.01 0.00 0.00 42.92 42.47 1q22 s ASP 115 CO 0.40 -5.14 1.02 -2.65 0.21 0.00 0.00 175.17 169.01 1q22 n PRO 119 N -5.48 0.00 -2.40 8.23 -0.02 -1.26 -5.28 135.00 128.79 1q22 n PRO 119 Ca 0.12 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.18 1q22 n PRO 119 Cb 0.59 -0.79 -0.03 0.00 -0.02 0.00 0.00 33.50 33.26 1q22 n PRO 119 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1q22 s ARG 120 N 2.59 4.39 -0.19 -0.52 0.52 -1.26 -4.93 118.95 119.56 1q22 s ARG 120 Ca 0.60 1.77 -0.04 0.00 -0.52 0.00 0.00 55.73 57.55 1q22 s ARG 120 Cb -0.79 -3.43 -0.02 0.00 0.52 0.00 0.00 34.95 31.23 1q22 s ARG 120 CO 0.38 -0.35 -0.04 -1.17 0.02 0.00 0.00 175.30 174.14 1q22 s LEU 121 N 1.54 3.08 0.14 2.53 2.96 -1.26 -0.34 118.68 127.34 1q22 s LEU 121 Ca 0.59 -0.26 0.04 0.00 -0.22 0.00 0.00 54.13 54.28 1q22 s LEU 121 Cb -0.28 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.60 1q22 s LEU 121 CO 0.27 0.08 -0.09 -0.04 -1.32 0.00 0.00 176.35 175.24 1q22 s MET 122 N 0.92 1.03 0.10 1.98 -1.94 0.78 -3.90 119.30 118.27 1q22 s MET 122 Ca -0.00 -1.44 0.07 0.00 -1.71 0.00 0.00 55.69 52.61 1q22 s MET 122 Cb -0.15 -0.55 -0.03 0.00 2.01 0.00 0.00 34.83 36.12 1q22 s MET 122 CO 0.01 0.05 -0.19 -1.12 -0.01 0.00 0.00 175.02 173.76 1q22 s SER 123 N -3.15 2.30 -0.17 3.03 0.01 -0.00 -0.90 113.70 114.81 1q22 s SER 123 Ca 0.16 -0.67 -0.26 0.00 1.31 0.00 0.00 55.95 56.49 1q22 s SER 123 Cb 0.03 -0.11 0.07 0.00 0.21 0.00 0.00 66.02 66.21 1q22 s SER 123 CO 0.00 0.02 0.67 -0.55 0.41 0.00 0.00 173.24 173.79 1q22 s SER 124 N -1.88 -0.68 0.00 2.44 0.15 -0.27 -1.54 113.70 111.92 1q22 s SER 124 Ca 0.04 1.10 0.11 0.00 0.70 0.00 0.00 55.95 57.90 1q22 s SER 124 Cb -0.10 1.05 0.19 0.00 -1.71 0.00 0.00 66.02 65.46 1q22 s SER 124 CO 0.04 -0.38 1.05 1.41 1.20 0.00 0.00 173.24 176.55 1q22 n HIS 125 N 2.01 0.22 -2.09 3.44 8.25 -1.26 -2.17 115.22 123.62 1q22 n HIS 125 Ca -0.16 -0.23 -0.41 0.00 -0.26 0.00 0.00 57.72 56.67 1q22 n HIS 125 Cb 0.56 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.64 1q22 n HIS 125 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1q22 s LEU 126 N -0.98 4.42 0.36 2.41 1.43 -1.26 -4.77 118.68 120.28 1q22 s LEU 126 Ca 0.18 2.70 -0.25 0.00 -1.03 0.00 0.00 54.13 55.73 1q22 s LEU 126 Cb 0.11 -3.65 -0.09 0.00 0.03 0.00 0.00 46.19 42.59 1q22 s LEU 126 CO 0.15 -0.57 1.02 -2.16 0.23 0.00 0.00 176.35 175.02 1q22 s PRO 127 N -1.59 4.37 0.52 1.29 0.04 -1.26 -4.68 135.00 133.69 1q22 s PRO 127 Ca 0.51 1.47 0.45 0.00 0.04 0.00 0.00 61.00 63.47 1q22 s PRO 127 Cb -0.40 -2.70 1.66 0.00 0.04 0.00 0.00 34.50 33.10 1q22 s PRO 127 CO 0.52 0.05 1.59 0.97 0.04 0.00 0.00 177.00 180.16 1q22 h ILE 128 N 2.44 0.03 0.00 0.56 2.10 -1.91 0.37 117.51 121.09 1q22 h ILE 128 Ca -0.48 -0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.46 1q22 h ILE 128 Cb 1.21 0.02 0.00 0.00 -1.09 0.00 0.00 36.82 36.95 1q22 h ILE 128 CO 0.64 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.71 1q22 n GLN 129 N -4.18 0.03 -0.01 2.19 0.00 -1.26 -3.54 117.38 110.62 1q22 n GLN 129 Ca 0.43 0.11 0.01 0.00 0.00 0.00 0.00 57.00 57.55 1q22 n GLN 129 Cb 1.86 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 30.57 1q22 n GLN 129 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1q22 n ILE 130 N -1.48 0.06 -1.50 -0.39 5.41 0.12 -5.04 119.36 116.54 1q22 n ILE 130 Ca 0.06 -0.11 -0.37 0.00 1.00 0.00 0.00 62.75 63.33 1q22 n ILE 130 Cb 0.26 0.10 0.07 0.00 -0.71 0.00 0.00 39.64 39.35 1q22 n ILE 130 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 176.55 176.88 1q22 n PHE 131 N -1.76 0.70 -1.20 1.39 7.35 -0.88 -4.37 117.46 118.71 1q22 n PHE 131 Ca -0.02 0.41 -0.34 0.00 -0.76 0.00 0.00 57.45 56.74 1q22 n PHE 131 Cb 0.23 -2.11 -0.12 0.00 0.35 0.00 0.00 39.48 37.83 1q22 n PHE 131 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 1q22 n THR 132 N -2.12 0.00 -0.07 -2.13 -1.04 -1.24 -4.80 114.28 102.89 1q22 n THR 132 Ca 0.14 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.28 1q22 n THR 132 Cb 0.48 -0.40 0.53 0.00 -1.82 0.00 0.00 70.33 69.13 1q22 n THR 132 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1q22 h LYS 133 N 9.52 0.32 0.00 -2.82 1.57 -1.56 -0.85 116.57 122.76 1q22 h LYS 133 Ca -0.04 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1q22 h LYS 133 Cb 1.06 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.30 1q22 h LYS 133 CO 1.10 0.21 0.00 0.00 -0.57 0.00 0.00 179.45 180.20 1q22 n ALA 134 N -2.54 1.71 -0.04 3.86 0.00 -1.26 -2.77 120.51 119.47 1q22 n ALA 134 Ca 0.10 -0.05 -0.13 0.00 0.00 0.00 0.00 53.44 53.36 1q22 n ALA 134 Cb 0.42 -1.15 -0.08 0.00 0.00 0.00 0.00 19.45 18.63 1q22 n ALA 134 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1q22 h PHE 135 N 0.00 0.26 -0.52 0.00 3.57 -1.51 -3.29 116.94 115.45 1q22 h PHE 135 Ca 0.00 -0.08 0.15 0.00 3.53 0.00 0.00 57.97 61.57 1q22 h PHE 135 Cb 0.05 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 1q22 h PHE 135 CO 0.00 0.67 0.62 0.74 -2.23 0.00 0.00 178.31 178.12 1q22 h PHE 136 N -0.23 0.00 -0.37 0.41 -1.00 -1.73 0.37 116.94 114.40 1q22 h PHE 136 Ca 0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.79 1q22 h PHE 136 Cb 0.64 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.20 1q22 h PHE 136 CO 0.10 0.00 0.00 -1.13 -1.61 0.00 0.00 178.31 175.67 1q22 n SER 137 N -3.52 4.02 -4.53 2.17 3.41 -1.24 -5.01 113.62 108.91 1q22 n SER 137 Ca 0.10 -2.71 -0.24 0.00 -0.26 0.00 0.00 58.87 55.76 1q22 n SER 137 Cb 0.82 -0.50 -0.01 0.00 -0.26 0.00 0.00 64.21 64.27 1q22 n SER 137 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1q22 n SER 138 N 0.06 2.66 -0.43 4.04 3.41 0.13 -5.05 113.62 118.44 1q22 n SER 138 Ca 0.21 -2.73 0.05 0.00 -0.26 0.00 0.00 58.87 56.13 1q22 n SER 138 Cb 0.83 0.01 0.05 0.00 -0.26 0.00 0.00 64.21 64.84 1q22 n SER 138 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1q22 n LYS 139 N -1.59 0.71 -1.44 4.33 5.02 -1.26 -5.03 118.16 118.90 1q22 n LYS 139 Ca -0.04 -1.22 -0.37 0.00 -2.02 0.00 0.00 58.31 54.66 1q22 n LYS 139 Cb 0.56 -1.20 0.06 0.00 -0.02 0.00 0.00 35.03 34.43 1q22 n LYS 139 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1q22 n ALA 140 N 0.56 -0.83 -2.89 7.82 0.00 -1.23 -4.80 120.51 119.14 1q22 n ALA 140 Ca 0.07 -0.10 -0.34 0.00 0.00 0.00 0.00 53.44 53.07 1q22 n ALA 140 Cb 0.27 -1.93 -0.05 0.00 0.00 0.00 0.00 19.45 17.74 1q22 n ALA 140 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1q22 s LYS 141 N -2.58 3.45 -0.08 0.00 1.02 -0.62 -4.89 119.74 116.05 1q22 s LYS 141 Ca 0.70 -0.27 0.01 0.00 0.02 0.00 0.00 55.97 56.44 1q22 s LYS 141 Cb -0.40 -3.11 0.02 0.00 -0.52 0.00 0.00 37.83 33.82 1q22 s LYS 141 CO 0.53 0.69 -0.09 0.08 -0.92 0.00 0.00 175.35 175.65 1q22 s VAL 142 N -1.26 0.95 -0.25 3.17 1.01 -1.06 -0.85 120.40 122.10 1q22 s VAL 142 Ca 0.25 -0.32 -0.06 0.00 0.00 0.00 0.00 61.98 61.85 1q22 s VAL 142 Cb -0.13 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 1q22 s VAL 142 CO 0.16 0.33 0.03 -0.63 0.00 0.00 0.00 175.10 174.99 1q22 s ILE 143 N 1.10 3.94 -0.15 2.22 1.09 -0.20 -1.22 121.20 127.98 1q22 s ILE 143 Ca -0.07 -0.36 -0.06 0.00 -1.10 0.00 0.00 60.65 59.07 1q22 s ILE 143 Cb -0.14 -2.86 -0.04 0.00 -1.06 0.00 0.00 42.46 38.36 1q22 s ILE 143 CO -0.01 0.33 0.05 -0.47 -0.10 0.00 0.00 174.94 174.74 1q22 s TYR 144 N 1.55 3.25 -0.08 3.97 5.04 0.14 -1.05 117.35 130.18 1q22 s TYR 144 Ca 0.06 0.13 0.05 0.00 -2.44 0.00 0.00 57.07 54.86 1q22 s TYR 144 Cb -0.15 -1.98 -0.00 0.00 0.35 0.00 0.00 41.96 40.18 1q22 s TYR 144 CO 0.01 0.29 -0.23 1.41 -1.34 0.00 0.00 175.55 175.69 1q22 s MET 145 N -0.13 2.69 0.15 4.97 -2.45 -0.55 -1.29 119.30 122.70 1q22 s MET 145 Ca 0.06 -0.83 0.11 0.00 -1.25 0.00 0.00 55.69 53.78 1q22 s MET 145 Cb -0.12 -2.13 -0.04 0.00 1.25 0.00 0.00 34.83 33.79 1q22 s MET 145 CO 0.01 0.24 -0.23 0.20 1.05 0.00 0.00 175.02 176.29 1q22 s GLY 146 N 0.17 1.65 0.16 2.11 0.00 -0.46 -4.37 107.32 106.59 1q22 s GLY 146 Ca -0.12 -1.50 0.03 0.00 0.00 0.00 0.00 44.72 43.13 1q22 s GLY 146 CO 0.06 -1.50 -0.05 -1.60 0.00 0.00 0.00 173.10 170.01 1q22 s ARG 147 N -2.31 1.09 -0.09 2.90 3.52 -1.26 -0.25 118.95 122.55 1q22 s ARG 147 Ca 0.17 -1.50 -0.33 0.00 -0.13 0.00 0.00 55.73 53.94 1q22 s ARG 147 Cb -0.09 -0.47 -0.11 0.00 -1.56 0.00 0.00 34.95 32.72 1q22 s ARG 147 CO 0.09 -0.02 1.93 -1.71 -0.81 0.00 0.00 175.30 174.77 1q22 n ASN 148 N -0.23 3.52 -0.06 -2.12 2.85 -1.26 -4.82 115.26 113.14 1q22 n ASN 148 Ca -0.09 0.90 0.24 0.00 -0.11 0.00 0.00 54.58 55.52 1q22 n ASN 148 Cb 0.62 -1.40 0.72 0.00 1.24 0.00 0.00 39.78 40.95 1q22 n ASN 148 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1q22 h PRO 149 N 9.90 0.00 -0.24 1.20 0.13 -1.98 -0.95 132.00 140.07 1q22 h PRO 149 Ca -0.48 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 1q22 h PRO 149 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1q22 h PRO 149 CO 0.95 0.00 0.01 0.00 -0.23 0.00 0.00 178.00 178.74 1q22 h ARG 150 N 0.00 0.41 0.00 0.86 3.08 -2.00 -1.53 114.38 115.20 1q22 h ARG 150 Ca 0.32 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 60.21 1q22 h ARG 150 Cb 1.33 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.34 1q22 h ARG 150 CO -0.00 0.57 -0.16 -0.44 -1.07 0.00 0.00 179.97 178.87 1q22 h ASP 151 N 0.19 0.00 -0.06 7.04 3.32 -1.58 -2.27 116.42 123.06 1q22 h ASP 151 Ca 0.07 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.91 1q22 h ASP 151 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1q22 h ASP 151 CO 0.01 0.16 -0.74 0.58 -1.72 0.00 0.00 179.24 177.53 1q22 h VAL 152 N 0.00 1.30 -0.66 -1.35 2.07 -0.85 -1.90 116.25 114.86 1q22 h VAL 152 Ca -0.00 -1.98 -0.02 0.00 0.82 0.00 0.00 66.70 65.52 1q22 h VAL 152 Cb 0.47 1.97 -0.03 0.00 -1.52 0.00 0.00 31.29 32.18 1q22 h VAL 152 CO 0.02 0.62 0.35 0.58 0.02 0.00 0.00 177.57 179.16 1q22 h VAL 153 N 0.49 1.21 0.58 2.57 2.07 -0.73 -0.31 116.25 122.13 1q22 h VAL 153 Ca -0.04 -0.55 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 1q22 h VAL 153 Cb 1.35 0.38 0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1q22 h VAL 153 CO 0.15 0.24 -0.28 0.58 0.02 0.00 0.00 177.57 178.27 1q22 h VAL 154 N 0.90 0.23 -0.68 2.57 2.07 -1.42 -0.99 116.25 118.93 1q22 h VAL 154 Ca 0.23 -0.37 0.15 0.00 0.82 0.00 0.00 66.70 67.52 1q22 h VAL 154 Cb 0.06 0.32 -0.12 0.00 -1.52 0.00 0.00 31.29 30.04 1q22 h VAL 154 CO -0.03 0.03 -0.01 -1.28 0.02 0.00 0.00 177.57 176.30 1q22 h SER 155 N -1.08 -0.33 0.02 0.57 0.87 -1.28 -0.36 113.55 111.96 1q22 h SER 155 Ca -0.08 0.17 -0.09 0.00 -1.23 0.00 0.00 61.79 60.56 1q22 h SER 155 Cb 0.66 0.31 -0.01 0.00 -0.44 0.00 0.00 62.40 62.91 1q22 h SER 155 CO 0.13 -0.15 -0.26 0.25 -0.53 0.00 0.00 176.83 176.27 1q22 h LEU 156 N 0.10 0.39 0.14 2.23 5.85 -1.04 -0.82 115.31 122.16 1q22 h LEU 156 Ca 0.36 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 1q22 h LEU 156 Cb 0.60 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.53 1q22 h LEU 156 CO -0.60 0.65 -0.07 0.22 -0.34 0.00 0.00 178.44 178.30 1q22 h TYR 157 N 0.34 -0.18 -0.18 1.25 5.03 0.33 -1.10 116.97 122.47 1q22 h TYR 157 Ca 0.05 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.33 1q22 h TYR 157 Cb 0.65 0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.98 1q22 h TYR 157 CO 0.02 0.03 0.02 0.45 -1.32 0.00 0.00 178.16 177.36 1q22 h HIS 158 N -0.36 0.33 -0.40 -3.82 3.86 -1.33 -2.96 115.15 110.47 1q22 h HIS 158 Ca -0.02 -0.05 0.05 0.00 -1.16 0.00 0.00 60.37 59.19 1q22 h HIS 158 Cb 0.29 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.65 1q22 h HIS 158 CO -0.01 0.49 0.27 -0.92 0.86 0.00 0.00 177.93 178.61 1q22 h TYR 159 N 0.09 0.31 -0.49 2.45 3.20 -1.12 -1.91 116.97 119.49 1q22 h TYR 159 Ca 0.05 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.89 1q22 h TYR 159 Cb 0.34 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 1q22 h TYR 159 CO 0.03 0.17 0.12 0.77 -1.64 0.00 0.00 178.16 177.60 1q22 h SER 160 N 0.31 0.69 0.34 -2.11 0.02 -1.02 0.50 113.55 112.28 1q22 h SER 160 Ca 0.17 -0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 60.97 1q22 h SER 160 Cb 0.29 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1q22 h SER 160 CO -0.04 0.69 -0.17 0.11 -1.14 0.00 0.00 176.83 176.28 1q22 h LYS 161 N 0.72 0.00 0.00 3.45 1.57 -1.36 -3.11 116.57 117.85 1q22 h LYS 161 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1q22 h LYS 161 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1q22 h LYS 161 CO -0.00 0.17 -0.81 0.44 -0.57 0.00 0.00 179.45 178.68 1q22 n ILE 162 N -3.85 0.00 -2.83 1.86 -5.35 -0.94 -4.95 119.36 103.31 1q22 n ILE 162 Ca -0.02 -0.22 -0.42 0.00 -0.27 0.00 0.00 62.75 61.82 1q22 n ILE 162 Cb 0.27 0.83 -0.04 0.00 -1.74 0.00 0.00 39.64 38.96 1q22 n ILE 162 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1q22 s ALA 163 N -2.35 3.51 0.47 -1.28 0.00 0.13 -1.28 121.76 120.95 1q22 s ALA 163 Ca 0.03 -0.30 0.16 0.00 0.00 0.00 0.00 51.96 51.85 1q22 s ALA 163 Cb 0.09 -3.45 1.15 0.00 0.00 0.00 0.00 23.12 20.91 1q22 s ALA 163 CO 0.53 -1.34 2.02 0.78 0.00 0.00 0.00 175.76 177.75 1q22 h GLY 164 N 9.73 0.32 2.00 0.00 0.00 -0.02 -1.94 103.07 113.17 1q22 h GLY 164 Ca -0.23 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1q22 h GLY 164 CO 0.95 0.07 0.00 0.61 0.00 0.00 0.00 176.54 178.16 1q22 n GLN 165 N -4.46 0.17 -3.98 4.80 0.00 -1.26 -3.92 117.38 108.72 1q22 n GLN 165 Ca 0.07 0.15 -0.35 0.00 0.00 0.00 0.00 57.00 56.87 1q22 n GLN 165 Cb 0.35 -1.70 -0.06 0.00 0.00 0.00 0.00 30.24 28.83 1q22 n GLN 165 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1q22 s LEU 166 N -3.98 4.21 0.60 2.61 1.43 -0.73 -3.83 118.68 118.99 1q22 s LEU 166 Ca 0.11 0.34 -0.15 0.00 -1.03 0.00 0.00 54.13 53.40 1q22 s LEU 166 Cb 0.14 -2.24 -0.04 0.00 0.03 0.00 0.00 46.19 44.08 1q22 s LEU 166 CO 0.56 0.34 1.05 -0.75 0.23 0.00 0.00 176.35 177.78 1q22 s LYS 167 N -1.41 3.34 0.31 1.70 2.20 -1.22 -4.76 119.74 119.90 1q22 s LYS 167 Ca 0.20 1.15 -0.29 0.00 -0.36 0.00 0.00 55.97 56.66 1q22 s LYS 167 Cb -0.12 -2.04 -0.11 0.00 -1.51 0.00 0.00 37.83 34.05 1q22 s LYS 167 CO 0.10 -0.79 1.51 0.34 -0.36 0.00 0.00 175.35 176.16 1q22 s ASP 168 N -2.94 6.45 0.45 1.43 2.15 -1.26 -4.75 116.67 118.19 1q22 s ASP 168 Ca 0.62 2.91 0.15 0.00 0.43 0.00 0.00 52.55 56.66 1q22 s ASP 168 Cb -0.15 -2.64 1.09 0.00 -0.30 0.00 0.00 42.92 40.91 1q22 s ASP 168 CO 0.38 -0.83 1.99 -0.65 -0.17 0.00 0.00 175.17 175.89 1q22 h PRO 169 N 4.24 0.33 0.00 4.34 0.11 -1.87 -3.49 132.00 135.67 1q22 h PRO 169 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1q22 h PRO 169 Cb 1.23 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1q22 h PRO 169 CO 0.74 0.22 0.00 0.41 -0.21 0.00 0.00 178.00 179.15 1q22 n GLY 170 N -1.53 -0.40 3.81 -0.55 0.00 -1.26 -3.94 105.19 101.31 1q22 n GLY 170 Ca 0.09 -1.45 -0.33 0.00 0.00 0.00 0.00 46.02 44.33 1q22 n GLY 170 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1q22 s THR 171 N 0.00 4.17 0.31 2.61 -4.23 -1.26 -4.83 115.64 112.41 1q22 s THR 171 Ca 0.00 1.28 0.07 0.00 -1.18 0.00 0.00 61.69 61.86 1q22 s THR 171 Cb 0.00 -3.55 0.30 0.00 1.34 0.00 0.00 72.50 70.59 1q22 s THR 171 CO 0.00 -0.36 1.75 -0.65 -0.54 0.00 0.00 174.62 174.82 1q22 h PRO 172 N 1.53 0.64 -0.41 3.99 0.11 -1.99 0.18 132.00 136.06 1q22 h PRO 172 Ca -0.49 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.45 1q22 h PRO 172 Cb 1.20 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1q22 h PRO 172 CO 0.60 0.42 -0.28 0.22 -0.21 0.00 0.00 178.00 178.75 1q22 h ASP 173 N 0.66 0.91 0.29 -2.05 1.82 -1.96 -2.00 116.42 114.08 1q22 h ASP 173 Ca 0.61 -0.37 -0.23 0.00 -0.39 0.00 0.00 57.03 56.65 1q22 h ASP 173 Cb 1.05 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 40.81 1q22 h ASP 173 CO -0.43 1.13 -0.94 -0.61 -1.61 0.00 0.00 179.24 176.78 1q22 h GLN 174 N 0.75 0.45 -0.28 0.28 5.75 -1.39 -3.10 115.11 117.56 1q22 h GLN 174 Ca 0.09 -0.48 -0.02 0.00 -0.15 0.00 0.00 58.65 58.09 1q22 h GLN 174 Cb 0.84 0.13 -0.02 0.00 1.07 0.00 0.00 27.48 29.51 1q22 h GLN 174 CO 0.07 1.13 0.10 0.35 -2.65 0.00 0.00 178.83 177.83 1q22 h PHE 175 N 0.26 0.39 -0.06 3.99 3.04 -0.64 -1.98 116.94 121.94 1q22 h PHE 175 Ca -0.08 -0.01 -0.11 0.00 3.98 0.00 0.00 57.97 61.75 1q22 h PHE 175 Cb 1.58 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 39.95 1q22 h PHE 175 CO 0.06 0.32 -0.45 1.25 -2.02 0.00 0.00 178.31 177.47 1q22 h LEU 176 N 0.40 0.14 -0.31 0.59 5.85 -1.29 -0.70 115.31 119.99 1q22 h LEU 176 Ca 0.10 -0.06 -0.20 0.00 0.84 0.00 0.00 57.88 58.56 1q22 h LEU 176 Cb 0.10 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1q22 h LEU 176 CO -0.01 0.58 -0.76 0.03 -0.34 0.00 0.00 178.44 177.94 1q22 h ARG 177 N 0.11 0.54 -0.34 1.25 3.08 -1.34 -0.66 114.38 117.01 1q22 h ARG 177 Ca 0.01 -0.45 -0.04 0.00 0.07 0.00 0.00 59.98 59.57 1q22 h ARG 177 Cb 0.85 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.98 1q22 h ARG 177 CO 0.07 1.08 0.06 -0.44 -1.07 0.00 0.00 179.97 179.66 1q22 h ASP 178 N 0.36 0.54 0.31 7.04 3.32 -1.12 -1.95 116.42 124.92 1q22 h ASP 178 Ca -0.04 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 56.74 1q22 h ASP 178 Cb 1.36 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1q22 h ASP 178 CO 0.14 0.65 -0.15 0.15 -1.72 0.00 0.00 179.24 178.31 1q22 h PHE 179 N 0.40 -0.39 -0.08 4.55 3.57 -1.02 0.42 116.94 124.39 1q22 h PHE 179 Ca 0.10 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.62 1q22 h PHE 179 Cb 0.34 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.21 1q22 h PHE 179 CO 0.02 -0.24 0.08 -0.07 -2.23 0.00 0.00 178.31 175.87 1q22 h LEU 180 N -0.43 0.00 -2.16 0.59 3.38 -1.06 -0.40 115.31 115.23 1q22 h LEU 180 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1q22 h LEU 180 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1q22 h LEU 180 CO 0.07 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.89 1q22 n LYS 181 N -4.02 2.47 -1.71 1.13 5.02 -0.74 -4.91 118.16 115.40 1q22 n LYS 181 Ca -0.01 -2.07 -0.19 0.00 -2.02 0.00 0.00 58.31 54.02 1q22 n LYS 181 Cb 0.18 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.63 1q22 n LYS 181 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1q22 n GLY 182 N 1.31 1.38 2.36 0.72 0.00 -0.16 -4.85 105.19 105.96 1q22 n GLY 182 Ca 0.19 -0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 1q22 n GLY 182 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1q22 n GLU 183 N -2.53 2.29 -4.19 1.61 -0.58 0.14 -4.09 120.64 113.30 1q22 n GLU 183 Ca -0.20 -2.01 -0.12 0.00 -0.42 0.00 0.00 57.16 54.41 1q22 n GLU 183 Cb 0.63 -2.09 -0.10 0.00 -0.57 0.00 0.00 31.44 29.31 1q22 n GLU 183 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1q22 s VAL 184 N -1.51 0.00 0.16 2.62 -7.23 -1.26 -4.69 120.40 108.49 1q22 s VAL 184 Ca 0.60 -1.96 -0.34 0.00 -1.81 0.00 0.00 61.98 58.47 1q22 s VAL 184 Cb 0.36 -2.48 -0.15 0.00 0.56 0.00 0.00 36.38 34.68 1q22 s VAL 184 CO -0.17 0.00 1.43 0.00 -0.31 0.00 0.00 175.10 176.06 1q22 n GLN 185 N -0.29 1.77 -1.02 4.82 10.64 -1.26 -1.23 117.38 130.81 1q22 n GLN 185 Ca 0.02 0.64 -0.01 0.00 -1.83 0.00 0.00 57.00 55.82 1q22 n GLN 185 Cb 0.66 -2.32 -0.00 0.00 -0.86 0.00 0.00 30.24 27.72 1q22 n GLN 185 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1q22 n PHE 186 N 2.62 0.00 -4.45 2.61 3.72 0.14 -4.90 117.46 117.20 1q22 n PHE 186 Ca 0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.56 1q22 n PHE 186 Cb 0.27 -0.63 0.00 0.00 -0.94 0.00 0.00 39.48 38.18 1q22 n PHE 186 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1q22 n GLY 187 N -1.96 -0.32 3.74 1.37 0.00 -0.37 -4.84 105.19 102.81 1q22 n GLY 187 Ca -0.01 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 1q22 n GLY 187 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1q22 s SER 188 N -4.00 6.57 0.10 1.61 0.15 -1.26 -4.62 113.70 112.26 1q22 s SER 188 Ca 0.00 2.70 -0.18 0.00 0.70 0.00 0.00 55.95 59.18 1q22 s SER 188 Cb 0.00 -2.61 -0.06 0.00 -1.71 0.00 0.00 66.02 61.64 1q22 s SER 188 CO 0.00 -0.79 1.59 -0.25 1.20 0.00 0.00 173.24 174.99 1q22 h TRP 189 N 5.65 0.51 0.10 3.44 7.01 -1.89 -0.99 115.95 129.77 1q22 h TRP 189 Ca -0.45 -0.06 0.02 0.00 2.11 0.00 0.00 58.89 60.51 1q22 h TRP 189 Cb 1.21 -0.14 -0.04 0.00 -2.10 0.00 0.00 29.16 28.09 1q22 h TRP 189 CO 0.62 0.55 -0.32 0.74 -2.79 0.00 0.00 178.44 177.24 1q22 h PHE 190 N 0.31 -0.87 -0.90 2.65 -1.00 -1.95 -1.18 116.94 114.00 1q22 h PHE 190 Ca 0.09 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.89 1q22 h PHE 190 Cb 0.31 0.37 -0.04 0.00 3.61 0.00 0.00 35.95 40.19 1q22 h PHE 190 CO 0.02 -0.42 0.56 -0.44 -1.61 0.00 0.00 178.31 176.41 1q22 h ASP 191 N -0.53 1.07 0.45 2.17 3.45 -1.95 -0.82 116.42 120.26 1q22 h ASP 191 Ca 0.04 -0.06 -0.01 0.00 0.43 0.00 0.00 57.03 57.43 1q22 h ASP 191 Cb 0.57 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 39.05 1q22 h ASP 191 CO -0.20 0.81 -0.40 -0.74 -1.57 0.00 0.00 179.24 177.14 1q22 h HIS 192 N 1.24 -1.09 -0.13 4.55 2.76 -0.59 -0.68 115.15 121.21 1q22 h HIS 192 Ca 0.33 0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 58.31 1q22 h HIS 192 Cb -0.07 0.42 0.00 0.00 1.55 0.00 0.00 27.41 29.30 1q22 h HIS 192 CO -0.00 -0.57 -0.71 0.97 -1.30 0.00 0.00 177.93 176.32 1q22 h ILE 193 N -0.86 1.33 -0.64 6.26 2.10 -1.21 -2.69 117.51 121.80 1q22 h ILE 193 Ca -0.04 -2.02 0.02 0.00 1.08 0.00 0.00 64.86 63.89 1q22 h ILE 193 Cb 0.75 2.00 -0.04 0.00 -1.09 0.00 0.00 36.82 38.44 1q22 h ILE 193 CO -0.04 0.62 0.41 0.11 -1.08 0.00 0.00 178.15 178.18 1q22 h LYS 194 N 0.40 0.80 0.17 2.19 1.57 -1.06 -1.39 116.57 119.24 1q22 h LYS 194 Ca -0.03 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1q22 h LYS 194 Cb 1.30 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1q22 h LYS 194 CO 0.13 0.53 -0.08 0.78 -0.57 0.00 0.00 179.45 180.24 1q22 h GLY 195 N 0.82 -0.24 2.00 3.86 0.00 -1.08 -3.09 103.07 105.34 1q22 h GLY 195 Ca 0.25 0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.63 1q22 h GLY 195 CO -0.08 -0.09 -0.17 1.49 0.00 0.00 0.00 176.54 177.69 1q22 h TRP 196 N -0.24 0.00 0.00 5.60 4.06 -1.24 -1.95 115.95 122.18 1q22 h TRP 196 Ca -0.02 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.93 1q22 h TRP 196 Cb 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.35 1q22 h TRP 196 CO -0.06 0.17 0.00 1.28 -3.56 0.00 0.00 178.44 176.27 1q22 n LEU 197 N -4.00 0.07 0.06 -4.49 4.77 -0.54 -2.37 117.00 110.49 1q22 n LEU 197 Ca -0.02 0.52 0.06 0.00 -0.03 0.00 0.00 56.01 56.54 1q22 n LEU 197 Cb 0.26 -0.50 0.29 0.00 -2.33 0.00 0.00 43.42 41.14 1q22 n LEU 197 CO 0.34 -0.24 0.69 0.54 -1.33 0.00 0.00 177.39 177.39 1q22 n ARG 198 N -1.57 0.06 0.03 3.23 1.74 -0.73 -0.95 116.66 118.47 1q22 n ARG 198 Ca 0.04 0.45 0.12 0.00 -0.77 0.00 0.00 57.85 57.68 1q22 n ARG 198 Cb 0.20 -1.66 0.10 0.00 -1.02 0.00 0.00 32.46 30.09 1q22 n ARG 198 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1q22 n MET 199 N -1.78 0.25 -1.55 5.56 2.81 -1.00 -4.91 117.12 116.50 1q22 n MET 199 Ca 0.01 0.03 -0.51 0.00 -1.81 0.00 0.00 57.70 55.42 1q22 n MET 199 Cb 0.09 -1.61 -0.06 0.00 -0.71 0.00 0.00 33.22 30.93 1q22 n MET 199 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1q22 n LYS 200 N -1.95 1.40 0.00 0.03 4.81 -0.12 -1.74 118.16 120.59 1q22 n LYS 200 Ca 0.03 0.44 0.00 0.00 -0.87 0.00 0.00 58.31 57.91 1q22 n LYS 200 Cb 0.42 -2.51 0.00 0.00 0.02 0.00 0.00 35.03 32.96 1q22 n LYS 200 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1q22 n GLY 201 N 5.68 2.14 3.77 3.14 0.00 -1.26 -5.10 105.19 113.55 1q22 n GLY 201 Ca 0.34 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 1q22 n GLY 201 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q22 s LYS 202 N 0.00 4.20 0.08 1.61 1.02 -0.71 -4.90 119.74 121.04 1q22 s LYS 202 Ca 0.00 1.79 0.22 0.00 0.02 0.00 0.00 55.97 58.00 1q22 s LYS 202 Cb 0.00 -2.77 0.90 0.00 -0.52 0.00 0.00 37.83 35.44 1q22 s LYS 202 CO 0.00 -0.18 1.70 -0.40 -0.92 0.00 0.00 175.35 175.55 1q22 n ASP 203 N 0.30 0.26 -2.11 2.83 5.68 -1.26 -2.84 116.55 119.41 1q22 n ASP 203 Ca 0.03 0.54 -0.27 0.00 -0.50 0.00 0.00 54.79 54.60 1q22 n ASP 203 Cb 0.46 -0.61 0.12 0.00 -1.14 0.00 0.00 41.12 39.95 1q22 n ASP 203 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1q22 n ASN 204 N -1.76 5.57 -3.77 -1.12 6.94 -1.26 -4.88 115.26 114.98 1q22 n ASN 204 Ca 0.05 -3.74 -0.13 0.00 -0.02 0.00 0.00 54.58 50.74 1q22 n ASN 204 Cb 0.27 -0.82 -0.14 0.00 -2.36 0.00 0.00 39.78 36.73 1q22 n ASN 204 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1q22 s PHE 205 N -3.58 -0.15 -0.07 -2.53 5.36 -1.13 -2.57 117.98 113.31 1q22 s PHE 205 Ca 0.58 0.44 0.01 0.00 -0.96 0.00 0.00 56.93 57.00 1q22 s PHE 205 Cb 0.48 -0.05 0.02 0.00 -0.34 0.00 0.00 43.02 43.12 1q22 s PHE 205 CO 0.03 -0.14 -0.09 -1.17 -1.46 0.00 0.00 175.22 172.39 1q22 s LEU 206 N 0.86 1.48 -0.20 6.12 2.96 -0.36 -4.81 118.68 124.73 1q22 s LEU 206 Ca -0.07 -0.25 -0.03 0.00 -0.22 0.00 0.00 54.13 53.56 1q22 s LEU 206 Cb -0.09 -0.73 -0.01 0.00 0.50 0.00 0.00 46.19 45.86 1q22 s LEU 206 CO -0.04 -0.02 -0.05 0.12 -1.32 0.00 0.00 176.35 175.04 1q22 s PHE 207 N 0.91 2.95 0.04 5.38 5.36 -1.26 0.26 117.98 131.62 1q22 s PHE 207 Ca -0.10 -0.78 -0.04 0.00 -0.96 0.00 0.00 56.93 55.04 1q22 s PHE 207 Cb -0.15 -2.05 -0.02 0.00 -0.34 0.00 0.00 43.02 40.46 1q22 s PHE 207 CO 0.01 -0.42 0.06 -1.50 -1.46 0.00 0.00 175.22 171.91 1q22 s ILE 208 N 1.17 0.15 0.13 3.12 2.07 -0.41 -4.98 121.20 122.45 1q22 s ILE 208 Ca 0.02 -1.20 0.09 0.00 -1.41 0.00 0.00 60.65 58.16 1q22 s ILE 208 Cb -0.14 -0.93 -0.04 0.00 0.13 0.00 0.00 42.46 41.47 1q22 s ILE 208 CO -0.01 -0.66 -0.18 0.42 -1.91 0.00 0.00 174.94 172.60 1q22 s THR 209 N -2.73 2.78 0.47 4.00 -4.23 -1.26 -1.35 115.64 113.32 1q22 s THR 209 Ca -0.04 -1.61 0.23 0.00 -1.18 0.00 0.00 61.69 59.09 1q22 s THR 209 Cb -0.01 -2.29 0.41 0.00 1.34 0.00 0.00 72.50 71.95 1q22 s THR 209 CO -0.05 0.05 1.88 0.22 -0.54 0.00 0.00 174.62 176.18 1q22 h TYR 210 N 3.58 0.32 -0.08 3.99 3.20 -0.86 0.45 116.97 127.57 1q22 h TYR 210 Ca -0.49 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.27 1q22 h TYR 210 Cb 1.18 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.34 1q22 h TYR 210 CO 0.62 0.09 -0.49 0.93 -1.64 0.00 0.00 178.16 177.67 1q22 h GLU 211 N 0.24 0.20 -0.20 1.82 3.07 -1.94 -2.41 114.58 115.36 1q22 h GLU 211 Ca 0.43 -0.11 -0.20 0.00 -0.50 0.00 0.00 59.36 58.98 1q22 h GLU 211 Cb 1.30 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.22 1q22 h GLU 211 CO -0.11 0.65 -0.65 0.93 -1.40 0.00 0.00 179.01 178.43 1q22 h GLU 212 N 0.16 0.74 -0.38 2.33 5.08 -1.29 -2.13 114.58 119.09 1q22 h GLU 212 Ca 0.01 -0.53 -0.08 0.00 -1.00 0.00 0.00 59.36 57.75 1q22 h GLU 212 Cb 0.92 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 1q22 h GLU 212 CO 0.07 1.15 -0.11 -0.07 -1.00 0.00 0.00 179.01 179.06 1q22 h LEU 213 N 0.54 0.66 -0.71 1.33 4.07 -1.44 -1.42 115.31 118.34 1q22 h LEU 213 Ca -0.02 -0.19 -0.13 0.00 0.08 0.00 0.00 57.88 57.62 1q22 h LEU 213 Cb 1.26 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.81 1q22 h LEU 213 CO 0.13 0.80 -0.49 1.56 -1.08 0.00 0.00 178.44 179.37 1q22 h GLN 214 N 0.61 0.38 0.00 1.13 1.08 -1.34 -2.27 115.11 114.71 1q22 h GLN 214 Ca 0.11 -0.22 -0.07 0.00 -1.45 0.00 0.00 58.65 57.02 1q22 h GLN 214 Cb 0.55 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.98 1q22 h GLN 214 CO 0.03 0.79 -0.59 0.37 -0.95 0.00 0.00 178.83 178.49 1q22 h GLN 215 N 0.31 0.00 -0.62 1.46 4.15 -1.13 -3.43 115.11 115.85 1q22 h GLN 215 Ca 0.02 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.40 1q22 h GLN 215 Cb 0.97 0.00 -0.17 0.00 0.21 0.00 0.00 27.48 28.50 1q22 h GLN 215 CO 0.08 0.23 -0.31 0.34 -1.93 0.00 0.00 178.83 177.25 1q22 s ASP 216 N -6.09 -0.92 0.14 -0.69 2.15 -0.56 -5.04 116.67 105.66 1q22 s ASP 216 Ca 0.03 -0.87 -0.17 0.00 0.43 0.00 0.00 52.55 51.97 1q22 s ASP 216 Cb 0.07 1.19 -0.01 0.00 -0.30 0.00 0.00 42.92 43.87 1q22 s ASP 216 CO 0.74 -0.06 1.75 0.25 -0.17 0.00 0.00 175.17 177.68 1q22 h LEU 217 N 5.19 0.45 0.02 -1.34 5.85 -1.61 -1.40 115.31 122.47 1q22 h LEU 217 Ca 0.02 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1q22 h LEU 217 Cb 1.16 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 1q22 h LEU 217 CO -0.03 0.40 -0.03 -0.61 -0.34 0.00 0.00 178.44 177.83 1q22 h GLN 218 N 0.46 -0.07 -0.45 1.25 4.15 -1.95 0.14 115.11 118.65 1q22 h GLN 218 Ca 0.13 0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.63 1q22 h GLN 218 Cb 0.04 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 27.68 1q22 h GLN 218 CO -0.02 -0.05 0.02 0.78 -1.93 0.00 0.00 178.83 177.63 1q22 h GLY 219 N -0.07 0.47 0.95 2.39 0.00 -1.93 -0.39 103.07 104.49 1q22 h GLY 219 Ca 0.01 0.04 0.01 0.00 0.00 0.00 0.00 47.33 47.39 1q22 h GLY 219 CO -0.02 -0.10 0.21 1.76 0.00 0.00 0.00 176.54 178.39 1q22 h SER 220 N 0.14 0.35 -0.23 0.19 0.02 -0.81 -1.88 113.55 111.33 1q22 h SER 220 Ca 0.22 -0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.21 1q22 h SER 220 Cb 0.32 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.74 1q22 h SER 220 CO -0.35 0.25 -0.02 0.58 -1.14 0.00 0.00 176.83 176.16 1q22 h VAL 221 N 0.43 0.82 -0.90 2.27 2.07 0.26 0.50 116.25 121.70 1q22 h VAL 221 Ca 0.13 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.67 1q22 h VAL 221 Cb -0.02 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 1q22 h VAL 221 CO -0.05 0.01 0.58 -0.33 0.02 0.00 0.00 177.57 177.80 1q22 h GLU 222 N 0.05 1.09 -0.30 1.57 5.08 -0.93 0.14 114.58 121.29 1q22 h GLU 222 Ca 0.11 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1q22 h GLU 222 Cb 0.15 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1q22 h GLU 222 CO -0.20 0.72 0.17 -0.09 -1.00 0.00 0.00 179.01 178.62 1q22 h ARG 223 N 1.13 0.35 0.00 2.33 2.43 -0.61 -0.09 114.38 119.91 1q22 h ARG 223 Ca 0.36 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.47 1q22 h ARG 223 Cb 0.02 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1q22 h ARG 223 CO -0.12 0.23 -0.23 0.82 -1.51 0.00 0.00 179.97 179.16 1q22 h ILE 224 N 0.36 0.73 -0.16 1.20 2.04 -0.18 -1.80 117.51 119.70 1q22 h ILE 224 Ca 0.12 -0.95 -0.21 0.00 1.00 0.00 0.00 64.86 64.82 1q22 h ILE 224 Cb -0.00 1.59 0.01 0.00 -0.74 0.00 0.00 36.82 37.67 1q22 h ILE 224 CO -0.05 0.22 -0.71 0.00 0.00 0.00 0.00 178.15 177.61 1q22 h GLY 226 N 0.48 -0.32 0.26 0.00 0.00 -0.69 0.16 103.07 102.96 1q22 h GLY 226 Ca -0.04 0.15 0.15 0.00 0.00 0.00 0.00 47.33 47.58 1q22 h GLY 226 CO 0.15 -0.14 0.49 -2.75 0.00 0.00 0.00 176.54 174.29 1q22 h PHE 227 N -0.33 0.86 0.00 5.60 3.57 -1.32 -0.70 116.94 124.62 1q22 h PHE 227 Ca -0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1q22 h PHE 227 Cb 0.28 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.78 1q22 h PHE 227 CO -0.10 0.23 -0.17 1.28 -2.23 0.00 0.00 178.31 177.31 1q22 n LEU 228 N -4.82 0.45 -1.49 0.59 4.77 -0.66 -4.93 117.00 110.90 1q22 n LEU 228 Ca 0.18 0.41 -0.08 0.00 -0.03 0.00 0.00 56.01 56.48 1q22 n LEU 228 Cb 0.44 -0.35 0.02 0.00 -2.33 0.00 0.00 43.42 41.20 1q22 n LEU 228 CO 0.22 -0.05 0.06 0.61 -1.33 0.00 0.00 177.39 176.90 1q22 n GLY 229 N 1.41 0.35 2.53 -0.72 0.00 0.39 -5.01 105.19 104.14 1q22 n GLY 229 Ca 0.06 -0.38 -0.27 0.00 0.00 0.00 0.00 46.02 45.42 1q22 n GLY 229 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1q22 s ARG 230 N -5.28 1.29 0.77 1.61 0.52 -0.20 -5.04 118.95 112.63 1q22 s ARG 230 Ca 0.18 -2.40 -0.14 0.00 -0.52 0.00 0.00 55.73 52.85 1q22 s ARG 230 Cb -0.08 -1.94 0.06 0.00 0.52 0.00 0.00 34.95 33.52 1q22 s ARG 230 CO 0.22 -1.35 1.20 -2.14 0.02 0.00 0.00 175.30 173.24 1q22 s PRO 231 N -0.29 1.91 0.03 3.54 0.02 -1.26 -4.72 135.00 134.22 1q22 s PRO 231 Ca 0.30 1.72 0.01 0.00 0.02 0.00 0.00 61.00 63.05 1q22 s PRO 231 Cb 0.01 -1.81 -0.02 0.00 0.02 0.00 0.00 34.50 32.70 1q22 s PRO 231 CO -0.18 -2.00 -0.05 -0.51 -0.33 0.00 0.00 177.00 173.92 1q22 s LEU 232 N -5.46 2.20 0.56 -5.54 1.43 -1.26 -5.10 118.68 105.51 1q22 s LEU 232 Ca 0.73 -0.44 -0.17 0.00 -1.03 0.00 0.00 54.13 53.22 1q22 s LEU 232 Cb -0.28 -0.07 -0.05 0.00 0.03 0.00 0.00 46.19 45.82 1q22 s LEU 232 CO 0.48 -0.19 1.05 -0.83 0.23 0.00 0.00 176.35 177.09 1q22 s GLY 233 N -1.24 2.19 0.65 -3.19 0.00 -1.26 -4.77 107.32 99.70 1q22 s GLY 233 Ca -0.10 0.41 0.19 0.00 0.00 0.00 0.00 44.72 45.22 1q22 s GLY 233 CO -0.00 0.72 1.55 0.50 0.00 0.00 0.00 173.10 175.87 1q22 h LYS 234 N 0.71 0.00 0.00 2.90 1.79 -2.01 -0.78 116.57 119.18 1q22 h LYS 234 Ca -0.47 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 1q22 h LYS 234 Cb 1.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 1q22 h LYS 234 CO 0.58 0.00 0.00 0.39 -1.08 0.00 0.00 179.45 179.34 1q22 n GLU 235 N -2.87 0.00 -0.34 3.15 -0.58 -1.26 -2.58 120.64 116.16 1q22 n GLU 235 Ca 0.02 0.08 0.23 0.00 -0.42 0.00 0.00 57.16 57.07 1q22 n GLU 235 Cb 0.71 -0.81 0.49 0.00 -0.57 0.00 0.00 31.44 31.27 1q22 n GLU 235 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1q22 h ALA 236 N -2.00 2.15 0.23 0.62 0.00 -1.67 0.20 119.26 118.79 1q22 h ALA 236 Ca 0.00 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1q22 h ALA 236 Cb 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1q22 h ALA 236 CO 0.00 -0.62 -0.30 1.25 0.00 0.00 0.00 179.25 179.58 1q22 h LEU 237 N 0.40 -0.83 -1.23 0.00 5.85 -1.30 -0.14 115.31 118.07 1q22 h LEU 237 Ca 0.64 0.08 0.14 0.00 0.84 0.00 0.00 57.88 59.59 1q22 h LEU 237 Cb 1.56 0.30 -0.07 0.00 0.37 0.00 0.00 40.66 42.81 1q22 h LEU 237 CO -0.38 -0.41 0.59 1.23 -0.34 0.00 0.00 178.44 179.13 1q22 h GLY 238 N -0.59 1.31 0.71 3.75 0.00 -0.70 -1.26 103.07 106.30 1q22 h GLY 238 Ca 0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 1q22 h GLY 238 CO -0.11 0.09 -0.01 0.23 0.00 0.00 0.00 176.54 176.75 1q22 h SER 239 N 0.75 -0.02 -0.78 0.19 0.87 -0.83 -0.21 113.55 113.51 1q22 h SER 239 Ca 0.46 -0.28 0.11 0.00 -1.23 0.00 0.00 61.79 60.85 1q22 h SER 239 Cb 0.69 0.01 -0.08 0.00 -0.44 0.00 0.00 62.40 62.58 1q22 h SER 239 CO -0.23 0.27 0.41 0.58 -0.53 0.00 0.00 176.83 177.34 1q22 h VAL 240 N -0.31 0.84 0.10 2.23 2.07 -0.36 0.29 116.25 121.11 1q22 h VAL 240 Ca -0.00 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 1q22 h VAL 240 Cb 0.30 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1q22 h VAL 240 CO 0.00 0.12 -0.05 0.58 0.02 0.00 0.00 177.57 178.25 1q22 h VAL 241 N 0.67 1.01 -0.33 2.57 2.07 -1.15 -1.75 116.25 119.34 1q22 h VAL 241 Ca 0.39 -0.41 0.05 0.00 0.82 0.00 0.00 66.70 67.55 1q22 h VAL 241 Cb 0.43 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 1q22 h VAL 241 CO -0.28 0.10 0.07 0.00 0.02 0.00 0.00 177.57 177.48 1q22 h ALA 242 N 0.55 0.35 0.00 1.67 0.00 -0.35 -2.48 119.26 119.00 1q22 h ALA 242 Ca -0.01 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1q22 h ALA 242 Cb 0.27 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1q22 h ALA 242 CO 0.02 -0.33 0.00 0.72 0.00 0.00 0.00 179.25 179.66 1q22 n HIS 243 N -5.08 0.36 0.78 0.00 8.25 0.03 -3.23 115.22 116.33 1q22 n HIS 243 Ca 0.01 0.11 0.12 0.00 -0.26 0.00 0.00 57.72 57.70 1q22 n HIS 243 Cb 0.14 -0.68 0.16 0.00 1.12 0.00 0.00 29.99 30.73 1q22 n HIS 243 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1q22 n SER 244 N -1.80 0.60 -4.76 0.41 7.64 -0.66 -4.27 113.62 110.78 1q22 n SER 244 Ca 0.06 -0.17 -0.39 0.00 1.01 0.00 0.00 58.87 59.37 1q22 n SER 244 Cb 0.33 0.39 0.02 0.00 -1.01 0.00 0.00 64.21 63.94 1q22 n SER 244 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1q22 s THR 245 N -3.09 2.15 0.18 0.44 2.01 -1.11 -4.75 115.64 111.46 1q22 s THR 245 Ca 0.08 0.12 -0.18 0.00 0.31 0.00 0.00 61.69 62.03 1q22 s THR 245 Cb 0.16 -3.07 0.13 0.00 0.01 0.00 0.00 72.50 69.73 1q22 s THR 245 CO 0.74 0.01 1.63 0.15 -0.69 0.00 0.00 174.62 176.46 1q22 h PHE 246 N 2.17 -0.48 -0.24 4.92 3.57 -1.92 0.13 116.94 125.09 1q22 h PHE 246 Ca -0.51 0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.09 1q22 h PHE 246 Cb 1.27 0.28 -0.04 0.00 2.79 0.00 0.00 35.95 40.25 1q22 h PHE 246 CO 0.49 -0.28 -0.04 0.66 -2.23 0.00 0.00 178.31 176.91 1q22 h SER 247 N -0.09 -0.19 -0.36 0.41 4.64 -1.95 0.68 113.55 116.69 1q22 h SER 247 Ca 0.22 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1q22 h SER 247 Cb 0.44 0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.65 1q22 h SER 247 CO -0.53 -0.06 0.24 0.00 -0.87 0.00 0.00 176.83 175.60 1q22 h ALA 248 N 1.23 0.46 -0.55 5.18 0.00 -1.64 -2.84 119.26 121.10 1q22 h ALA 248 Ca 0.11 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1q22 h ALA 248 Cb 0.17 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1q22 h ALA 248 CO -0.23 -0.08 0.10 0.52 0.00 0.00 0.00 179.25 179.56 1q22 h MET 249 N 0.49 0.86 0.00 0.00 2.07 -0.31 -2.13 114.93 115.91 1q22 h MET 249 Ca 0.13 -0.19 0.00 0.00 -2.07 0.00 0.00 59.70 57.57 1q22 h MET 249 Cb -0.06 -0.12 0.00 0.00 -1.87 0.00 0.00 31.60 29.55 1q22 h MET 249 CO -0.03 0.79 0.00 -0.22 1.07 0.00 0.00 176.91 178.52 1q22 h LYS 250 N 0.82 0.00 0.00 1.72 3.64 -0.70 -2.69 116.57 119.36 1q22 h LYS 250 Ca 0.17 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1q22 h LYS 250 Cb 0.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1q22 h LYS 250 CO 0.00 0.00 -0.75 0.00 -2.27 0.00 0.00 179.45 176.44 1q22 n ALA 251 N -2.08 3.13 -2.60 5.00 0.00 -0.84 -4.79 120.51 118.34 1q22 n ALA 251 Ca 0.01 -0.31 -0.43 0.00 0.00 0.00 0.00 53.44 52.71 1q22 n ALA 251 Cb 0.30 -1.10 -0.04 0.00 0.00 0.00 0.00 19.45 18.61 1q22 n ALA 251 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1q22 s ASN 252 N -4.02 6.43 0.56 0.00 2.47 -0.99 -4.92 114.94 114.46 1q22 s ASN 252 Ca 0.06 -0.08 0.28 0.00 0.42 0.00 0.00 52.86 53.53 1q22 s ASN 252 Cb 0.14 -2.44 1.46 0.00 -1.45 0.00 0.00 41.25 38.96 1q22 s ASN 252 CO 0.74 -1.12 1.95 0.74 -3.72 0.00 0.00 177.10 175.70 1q22 h THR 253 N 6.05 0.56 0.00 -5.21 2.02 -1.86 0.15 112.91 114.62 1q22 h THR 253 Ca -0.25 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 1q22 h THR 253 Cb 1.07 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 68.15 1q22 h THR 253 CO 1.05 0.00 -0.28 0.24 0.37 0.00 0.00 175.52 176.90 1q22 h MET 254 N 0.00 0.00 0.00 6.66 2.86 -1.82 -3.36 114.93 119.27 1q22 h MET 254 Ca 0.26 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 1q22 h MET 254 Cb 1.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.81 1q22 h MET 254 CO -0.00 0.06 -1.78 0.43 1.06 0.00 0.00 176.91 176.68 1q22 n SER 255 N -3.03 0.73 -1.19 1.22 7.64 -0.10 -1.65 113.62 117.24 1q22 n SER 255 Ca 0.03 -0.07 0.07 0.00 1.01 0.00 0.00 58.87 59.90 1q22 n SER 255 Cb 0.56 1.79 0.26 0.00 -1.01 0.00 0.00 64.21 65.81 1q22 n SER 255 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1q22 n ASN 256 N -2.09 3.48 -0.38 6.43 0.23 -0.38 -4.93 115.26 117.61 1q22 n ASN 256 Ca -0.03 -2.28 -0.05 0.00 -0.53 0.00 0.00 54.58 51.69 1q22 n ASN 256 Cb 0.47 -0.47 -0.02 0.00 -2.08 0.00 0.00 39.78 37.68 1q22 n ASN 256 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1q22 n TYR 257 N 0.79 -0.01 1.23 -2.53 4.01 -1.26 -4.46 117.16 114.92 1q22 n TYR 257 Ca 0.18 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 58.01 1q22 n TYR 257 Cb 0.65 -2.30 0.52 0.00 -0.31 0.00 0.00 39.34 37.89 1q22 n TYR 257 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1q22 n THR 258 N -2.03 0.00 0.85 -0.72 -2.24 -1.26 -2.35 114.28 106.54 1q22 n THR 258 Ca -0.05 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.84 1q22 n THR 258 Cb 0.53 -0.63 0.06 0.00 -2.10 0.00 0.00 70.33 68.18 1q22 n THR 258 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1q22 n LEU 259 N -0.94 0.68 -4.78 3.22 4.77 -1.26 -4.95 117.00 113.74 1q22 n LEU 259 Ca 0.13 -0.16 -0.34 0.00 -0.03 0.00 0.00 56.01 55.61 1q22 n LEU 259 Cb 0.06 -0.12 0.01 0.00 -2.33 0.00 0.00 43.42 41.04 1q22 n LEU 259 CO 0.10 0.14 0.75 -0.76 -1.33 0.00 0.00 177.39 176.28 1q22 s LEU 260 N -3.31 3.62 0.16 2.23 1.43 -0.99 -4.97 118.68 116.85 1q22 s LEU 260 Ca 0.08 2.03 -0.32 0.00 -1.03 0.00 0.00 54.13 54.89 1q22 s LEU 260 Cb 0.16 -4.56 -0.11 0.00 0.03 0.00 0.00 46.19 41.70 1q22 s LEU 260 CO 0.79 -1.26 1.78 -2.65 0.23 0.00 0.00 176.35 175.23 1q22 n PRO 261 N -1.70 2.76 -0.56 1.29 -0.02 -1.26 -4.79 135.00 130.72 1q22 n PRO 261 Ca 0.10 1.00 0.46 0.00 -2.02 0.00 0.00 63.50 63.05 1q22 n PRO 261 Cb 0.52 -2.87 0.79 0.00 -0.02 0.00 0.00 33.50 31.92 1q22 n PRO 261 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1q22 h PRO 262 N 7.64 0.01 -0.39 0.52 0.11 -1.94 0.38 132.00 138.32 1q22 h PRO 262 Ca -0.45 -0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.51 1q22 h PRO 262 Cb 1.21 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1q22 h PRO 262 CO 0.95 0.01 -0.35 0.66 -0.21 0.00 0.00 178.00 179.06 1q22 h SER 263 N 0.01 0.97 -0.21 -2.05 4.64 -1.89 -2.74 113.55 112.28 1q22 h SER 263 Ca 0.81 -0.43 -0.15 0.00 -0.47 0.00 0.00 61.79 61.55 1q22 h SER 263 Cb 3.19 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 65.00 1q22 h SER 263 CO -0.04 1.22 -0.42 0.25 -0.87 0.00 0.00 176.83 176.97 1q22 h LEU 264 N 0.76 0.81 -6.73 5.97 5.85 -0.47 -3.22 115.31 118.28 1q22 h LEU 264 Ca 0.07 -0.38 -0.27 0.00 0.84 0.00 0.00 57.88 58.14 1q22 h LEU 264 Cb 0.93 -0.23 -0.34 0.00 0.37 0.00 0.00 40.66 41.39 1q22 h LEU 264 CO 0.09 1.12 -0.59 -0.22 -0.34 0.00 0.00 178.44 178.50 1q22 s LEU 265 N -8.68 -0.24 -1.03 2.25 2.96 -0.89 0.45 118.68 113.51 1q22 s LEU 265 Ca -0.09 -0.08 -0.23 0.00 -0.22 0.00 0.00 54.13 53.51 1q22 s LEU 265 Cb 0.12 0.57 -0.04 0.00 0.50 0.00 0.00 46.19 47.33 1q22 s LEU 265 CO 0.86 -0.32 1.87 -0.62 -1.32 0.00 0.00 176.35 176.82 1q22 s ASP 266 N 2.38 5.39 0.56 3.68 2.15 -0.41 -4.16 116.67 126.26 1q22 s ASP 266 Ca 0.08 -1.18 0.23 0.00 0.43 0.00 0.00 52.55 52.11 1q22 s ASP 266 Cb -0.15 -2.57 1.55 0.00 -0.30 0.00 0.00 42.92 41.45 1q22 s ASP 266 CO -0.13 -2.58 2.20 0.45 -0.17 0.00 0.00 175.17 174.94 1q22 h HIS 267 N 10.40 0.00 -0.07 -5.34 3.86 -1.81 0.30 115.15 122.48 1q22 h HIS 267 Ca 0.17 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.33 1q22 h HIS 267 Cb 0.98 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.44 1q22 h HIS 267 CO 1.24 0.00 -0.19 -0.09 0.86 0.00 0.00 177.93 179.75 1q22 h ARG 268 N 0.00 0.12 0.00 2.45 9.65 -1.94 -3.23 114.38 121.42 1q22 h ARG 268 Ca -0.00 -0.03 -0.05 0.00 -1.10 0.00 0.00 59.98 58.81 1q22 h ARG 268 Cb 0.00 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.56 1q22 h ARG 268 CO 0.00 0.31 -1.96 0.54 2.80 0.00 0.00 179.97 181.66 1q22 n ARG 269 N -4.26 0.66 -3.84 0.20 3.00 0.01 -5.08 116.66 107.36 1q22 n ARG 269 Ca -0.02 -0.14 0.03 0.00 -0.01 0.00 0.00 57.85 57.71 1q22 n ARG 269 Cb 0.29 -1.55 0.01 0.00 0.00 0.00 0.00 32.46 31.20 1q22 n ARG 269 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1q22 s GLY 270 N -4.63 -0.28 0.07 -0.13 0.00 -0.72 -5.04 107.32 96.59 1q22 s GLY 270 Ca -0.08 0.39 0.08 0.00 0.00 0.00 0.00 44.72 45.11 1q22 s GLY 270 CO 0.89 3.74 -0.21 0.00 0.00 0.00 0.00 173.10 177.52 1q22 s ALA 271 N -2.09 2.53 0.16 3.20 0.00 -1.26 -4.19 121.76 120.10 1q22 s ALA 271 Ca 0.24 -1.28 -0.15 0.00 0.00 0.00 0.00 51.96 50.77 1q22 s ALA 271 Cb 0.02 -0.63 0.04 0.00 0.00 0.00 0.00 23.12 22.55 1q22 s ALA 271 CO -0.03 0.57 1.82 0.35 0.00 0.00 0.00 175.76 178.47 1q22 h PHE 272 N 4.32 0.56 -2.11 0.00 3.57 -1.95 -3.16 116.94 118.17 1q22 h PHE 272 Ca -0.48 0.01 -0.71 0.00 3.53 0.00 0.00 57.97 60.32 1q22 h PHE 272 Cb 1.16 -0.19 -0.17 0.00 2.79 0.00 0.00 35.95 39.54 1q22 h PHE 272 CO 0.55 0.35 1.26 -0.51 -2.23 0.00 0.00 178.31 177.73 1q22 s LEU 273 N -10.16 4.91 0.00 0.59 1.43 -1.26 -4.90 118.68 109.29 1q22 s LEU 273 Ca -0.13 -2.61 0.00 0.00 -1.03 0.00 0.00 54.13 50.36 1q22 s LEU 273 Cb 0.11 -2.42 0.00 0.00 0.03 0.00 0.00 46.19 43.91 1q22 s LEU 273 CO 0.73 -0.90 0.70 -1.14 0.23 0.00 0.00 176.35 175.97 1q22 n ARG 274 N 6.24 0.00 0.00 1.70 0.63 -1.20 -4.84 116.66 119.19 1q22 n ARG 274 Ca 0.33 0.30 0.00 0.00 -0.92 0.00 0.00 57.85 57.57 1q22 n ARG 274 Cb 0.45 -1.24 0.00 0.00 0.45 0.00 0.00 32.46 32.12 1q22 n ARG 274 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1q22 n LYS 275 N -1.41 0.00 -2.67 -0.14 5.02 -1.26 -5.00 118.16 112.69 1q22 n LYS 275 Ca 0.00 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.23 1q22 n LYS 275 Cb 0.00 -0.83 0.02 0.00 -0.02 0.00 0.00 35.03 34.20 1q22 n LYS 275 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1q22 n GLY 276 N 3.20 0.54 3.26 0.72 0.00 -1.26 -5.06 105.19 106.59 1q22 n GLY 276 Ca 0.00 -0.48 -0.25 0.00 0.00 0.00 0.00 46.02 45.29 1q22 n GLY 276 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1q22 n VAL 277 N -3.22 0.00 -4.14 1.61 0.24 -1.26 -5.02 118.33 106.54 1q22 n VAL 277 Ca -0.01 -2.31 -0.30 0.00 -2.04 0.00 0.00 64.34 59.68 1q22 n VAL 277 Cb 0.52 0.82 -0.08 0.00 -1.47 0.00 0.00 33.84 33.63 1q22 n VAL 277 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1q22 n GLY 279 N 0.51 0.70 0.31 0.00 0.00 -1.26 -4.90 105.19 100.55 1q22 n GLY 279 Ca -0.11 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.11 1q22 n GLY 279 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1q22 h ASP 280 N 0.00 0.00 -0.73 1.61 -0.00 -1.96 -1.89 116.42 113.46 1q22 h ASP 280 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.03 57.12 1q22 h ASP 280 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 39.33 39.28 1q22 h ASP 280 CO 0.00 0.00 0.48 4.11 -0.00 0.00 0.00 179.24 183.83 1q22 h TRP 281 N 0.00 0.69 0.00 0.28 5.08 -1.90 -1.02 115.95 119.08 1q22 h TRP 281 Ca 0.00 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.99 1q22 h TRP 281 Cb 0.18 -0.22 0.00 0.00 -3.00 0.00 0.00 29.16 26.12 1q22 h TRP 281 CO 0.00 0.34 0.04 0.87 -1.28 0.00 0.00 178.44 178.41 1q22 h LYS 282 N 0.65 0.00 -0.02 0.12 1.57 -1.68 0.46 116.57 117.68 1q22 h LYS 282 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 1q22 h LYS 282 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1q22 h LYS 282 CO -0.11 0.00 -0.13 0.09 -0.57 0.00 0.00 179.45 178.73 1q22 n ASN 283 N -2.38 2.44 -0.03 0.86 3.02 -0.39 -4.51 115.26 114.26 1q22 n ASN 283 Ca -0.02 -1.72 -0.04 0.00 -0.03 0.00 0.00 54.58 52.78 1q22 n ASN 283 Cb 0.08 0.15 -0.03 0.00 -0.61 0.00 0.00 39.78 39.36 1q22 n ASN 283 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1q22 n HIS 284 N 0.77 0.00 -2.97 3.10 -0.00 0.13 -5.02 115.22 111.23 1q22 n HIS 284 Ca 0.11 0.00 -0.40 0.00 0.46 0.00 0.00 57.72 57.89 1q22 n HIS 284 Cb 0.48 -0.25 -0.05 0.00 -0.12 0.00 0.00 29.99 30.05 1q22 n HIS 284 CO 0.00 0.00 0.00 -0.06 0.46 0.00 0.00 176.34 176.74 1q22 s PHE 285 N -2.13 3.73 0.63 1.57 0.40 0.70 -5.06 117.98 117.83 1q22 s PHE 285 Ca -0.06 1.48 -0.08 0.00 -0.60 0.00 0.00 56.93 57.67 1q22 s PHE 285 Cb 0.02 -2.84 0.01 0.00 0.51 0.00 0.00 43.02 40.72 1q22 s PHE 285 CO 0.17 0.26 0.98 0.95 0.70 0.00 0.00 175.22 178.28 1q22 s THR 286 N 0.00 3.70 0.35 0.64 -4.23 -1.26 -4.82 115.64 110.02 1q22 s THR 286 Ca 0.39 0.25 0.03 0.00 -1.18 0.00 0.00 61.69 61.18 1q22 s THR 286 Cb -0.21 -3.50 0.28 0.00 1.34 0.00 0.00 72.50 70.41 1q22 s THR 286 CO 0.23 -0.58 1.98 0.58 -0.54 0.00 0.00 174.62 176.29 1q22 h VAL 287 N -0.36 1.10 -0.47 2.29 2.07 -1.98 0.59 116.25 119.49 1q22 h VAL 287 Ca -0.45 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 66.73 1q22 h VAL 287 Cb 1.25 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1q22 h VAL 287 CO 0.62 0.15 0.11 0.00 0.02 0.00 0.00 177.57 178.47 1q22 h ALA 288 N 1.59 0.62 -0.36 1.67 0.00 -2.00 -0.47 119.26 120.33 1q22 h ALA 288 Ca 0.28 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1q22 h ALA 288 Cb 0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1q22 h ALA 288 CO -0.08 0.32 -0.18 1.96 0.00 0.00 0.00 179.25 181.27 1q22 h GLN 289 N 0.64 0.67 -0.35 0.00 4.20 -1.70 -1.93 115.11 116.64 1q22 h GLN 289 Ca 0.15 -0.24 -0.03 0.00 0.06 0.00 0.00 58.65 58.58 1q22 h GLN 289 Cb 0.34 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1q22 h GLN 289 CO 0.00 0.81 0.09 1.03 -0.67 0.00 0.00 178.83 180.10 1q22 h SER 290 N 0.60 0.52 -0.60 1.46 0.87 -0.52 -0.97 113.55 114.91 1q22 h SER 290 Ca 0.09 -0.22 -0.07 0.00 -1.23 0.00 0.00 61.79 60.36 1q22 h SER 290 Cb 0.65 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 1q22 h SER 290 CO 0.05 0.61 0.10 -0.33 -0.53 0.00 0.00 176.83 176.72 1q22 h GLU 291 N 0.41 0.99 -0.41 2.24 5.08 -0.92 -1.29 114.58 120.69 1q22 h GLU 291 Ca 0.11 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 1q22 h GLU 291 Cb 0.28 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1q22 h GLU 291 CO -0.00 0.93 0.18 0.00 -1.00 0.00 0.00 179.01 179.12 1q22 h ALA 292 N 1.02 0.53 -0.57 3.43 0.00 -1.26 -2.47 119.26 119.92 1q22 h ALA 292 Ca 0.18 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1q22 h ALA 292 Cb 0.42 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1q22 h ALA 292 CO 0.01 0.11 0.32 0.35 0.00 0.00 0.00 179.25 180.04 1q22 h PHE 293 N 0.51 0.59 -0.57 0.00 3.04 -0.87 -2.22 116.94 117.43 1q22 h PHE 293 Ca 0.14 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.10 1q22 h PHE 293 Cb 0.15 -0.18 -0.03 0.00 2.56 0.00 0.00 35.95 38.45 1q22 h PHE 293 CO -0.01 0.31 0.33 -0.44 -2.02 0.00 0.00 178.31 176.48 1q22 h ASP 294 N 0.62 0.68 -0.47 0.41 3.32 -0.96 -0.11 116.42 119.91 1q22 h ASP 294 Ca 0.25 -0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.16 1q22 h ASP 294 Cb 0.11 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1q22 h ASP 294 CO -0.14 0.54 -0.07 0.03 -1.72 0.00 0.00 179.24 177.88 1q22 h ARG 295 N 0.78 0.92 -0.47 3.56 3.08 -0.96 0.31 114.38 121.61 1q22 h ARG 295 Ca 0.20 -0.30 -0.13 0.00 0.07 0.00 0.00 59.98 59.82 1q22 h ARG 295 Cb -0.01 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 1q22 h ARG 295 CO -0.04 0.96 -0.22 0.00 -1.07 0.00 0.00 179.97 179.60 1q22 h ALA 296 N 1.08 0.73 -0.18 0.04 0.00 -0.88 -2.32 119.26 117.73 1q22 h ALA 296 Ca 0.14 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1q22 h ALA 296 Cb 0.59 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1q22 h ALA 296 CO 0.04 0.67 -0.05 -0.92 0.00 0.00 0.00 179.25 178.98 1q22 h TYR 297 N 0.83 0.40 -0.96 0.00 5.03 -0.76 -1.82 116.97 119.69 1q22 h TYR 297 Ca 0.11 -0.09 0.15 0.00 2.58 0.00 0.00 58.73 61.47 1q22 h TYR 297 Cb 0.78 -0.10 -0.08 0.00 1.55 0.00 0.00 36.73 38.89 1q22 h TYR 297 CO 0.05 0.63 0.61 0.00 -1.32 0.00 0.00 178.16 178.12 1q22 h ARG 298 N 0.05 0.79 0.20 1.82 2.47 -0.29 0.14 114.38 119.56 1q22 h ARG 298 Ca 0.04 -0.05 -0.28 0.00 -1.26 0.00 0.00 59.98 58.43 1q22 h ARG 298 Cb 0.50 -0.18 0.03 0.00 -1.65 0.00 0.00 29.97 28.68 1q22 h ARG 298 CO 0.02 0.52 -1.23 1.57 0.56 0.00 0.00 179.97 181.41 1q22 h LYS 299 N 0.81 0.49 0.00 0.04 -0.00 -1.32 -3.20 116.57 113.39 1q22 h LYS 299 Ca 0.49 -0.79 -0.12 0.00 -0.00 0.00 0.00 60.65 60.23 1q22 h LYS 299 Cb 0.68 0.29 -0.02 0.00 -0.00 0.00 0.00 32.23 33.18 1q22 h LYS 299 CO -0.26 1.37 -0.58 1.96 -0.00 0.00 0.00 179.45 181.95 1q22 h GLN 300 N 0.02 0.00 -0.52 0.07 1.08 -1.02 -3.30 115.11 111.43 1q22 h GLN 300 Ca -0.21 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 56.81 1q22 h GLN 300 Cb 1.96 0.00 -0.11 0.00 -0.05 0.00 0.00 27.48 29.28 1q22 h GLN 300 CO 0.23 0.58 0.13 -1.33 -0.95 0.00 0.00 178.83 177.49 1q22 n MET 301 N -3.26 2.81 -0.27 1.46 2.81 0.45 -4.79 117.12 116.32 1q22 n MET 301 Ca 0.02 -3.05 -0.11 0.00 -1.81 0.00 0.00 57.70 52.75 1q22 n MET 301 Cb 0.76 -2.00 -0.08 0.00 -0.71 0.00 0.00 33.22 31.19 1q22 n MET 301 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1q22 h ARG 302 N 1.78 -0.19 0.00 0.03 3.08 -1.64 -2.68 114.38 114.77 1q22 h ARG 302 Ca 0.22 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1q22 h ARG 302 Cb 1.95 0.04 0.00 0.00 0.08 0.00 0.00 29.97 32.05 1q22 h ARG 302 CO 0.53 -0.13 -0.09 0.78 -1.07 0.00 0.00 179.97 179.99 1q22 h GLY 303 N -0.20 0.00 -2.00 0.04 0.00 -1.91 -3.48 103.07 95.52 1q22 h GLY 303 Ca 0.14 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.93 1q22 h GLY 303 CO -0.76 0.00 -0.18 1.03 0.00 0.00 0.00 176.54 176.63 1q22 n MET 304 N -2.46 0.04 -2.03 4.80 2.81 -1.01 -5.04 117.12 114.23 1q22 n MET 304 Ca 0.05 0.07 -0.29 0.00 -1.81 0.00 0.00 57.70 55.72 1q22 n MET 304 Cb 0.46 -2.07 0.20 0.00 -0.71 0.00 0.00 33.22 31.10 1q22 n MET 304 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1q22 s PRO 305 N -3.57 0.51 0.14 0.03 0.04 -1.26 -5.03 135.00 125.85 1q22 s PRO 305 Ca 0.65 -0.62 -0.26 0.00 0.04 0.00 0.00 61.00 60.81 1q22 s PRO 305 Cb -0.28 -1.89 -0.07 0.00 0.04 0.00 0.00 34.50 32.29 1q22 s PRO 305 CO 0.59 -2.45 0.80 0.99 0.04 0.00 0.00 177.00 176.96 1q22 s THR 306 N -3.85 4.45 0.34 1.26 2.01 -1.26 -5.08 115.64 113.50 1q22 s THR 306 Ca 0.75 1.74 0.09 0.00 0.31 0.00 0.00 61.69 64.58 1q22 s THR 306 Cb -0.02 -4.16 -0.05 0.00 0.01 0.00 0.00 72.50 68.28 1q22 s THR 306 CO 0.53 0.47 0.07 -0.36 -0.69 0.00 0.00 174.62 174.64 1q22 s PHE 307 N -0.79 2.63 0.28 4.92 0.08 -1.26 -5.02 117.98 118.81 1q22 s PHE 307 Ca 0.38 -0.41 0.01 0.00 0.12 0.00 0.00 56.93 57.02 1q22 s PHE 307 Cb -0.23 -1.56 0.55 0.00 -0.57 0.00 0.00 43.02 41.21 1q22 s PHE 307 CO 0.26 0.41 1.82 -1.35 -0.10 0.00 0.00 175.22 176.26 1q22 h PRO 308 N 1.68 0.87 0.00 0.24 0.11 -2.01 -1.12 132.00 131.78 1q22 h PRO 308 Ca -0.43 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1q22 h PRO 308 Cb 1.25 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1q22 h PRO 308 CO 0.65 0.58 0.00 -2.67 -0.21 0.00 0.00 178.00 176.35 1q22 n TRP 309 N -4.68 0.00 -3.27 0.65 2.14 -1.26 -4.55 117.44 106.47 1q22 n TRP 309 Ca 0.18 0.00 -0.46 0.00 2.07 0.00 0.00 57.50 59.29 1q22 n TRP 309 Cb 0.38 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.84 1q22 n TRP 309 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1q22 s ASP 310 N -1.22 6.53 0.00 -0.67 1.01 -0.43 -5.04 116.67 116.85 1q22 s ASP 310 Ca 0.03 -2.25 0.30 0.00 0.71 0.00 0.00 52.55 51.34 1q22 s ASP 310 Cb 0.01 -2.24 1.51 0.00 1.01 0.00 0.00 42.92 43.21 1q22 s ASP 310 CO 0.02 -0.75 2.00 -1.84 0.21 0.00 0.00 175.17 174.81