#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q23 s GLY 7 N 0.00 1.62 -0.08 3.41 0.00 -1.26 -4.99 107.32 106.02 1q23 s GLY 7 Ca 0.00 -0.55 -0.32 0.00 0.00 0.00 0.00 44.72 43.86 1q23 s GLY 7 CO 0.00 -0.21 1.10 -2.52 0.00 0.00 0.00 173.10 171.46 1q23 s TYR 8 N -3.19 -0.19 -0.04 1.90 -0.85 -1.26 -1.77 117.35 111.95 1q23 s TYR 8 Ca 0.56 0.08 0.07 0.00 -0.52 0.00 0.00 57.07 57.27 1q23 s TYR 8 Cb -0.11 0.54 -0.02 0.00 0.38 0.00 0.00 41.96 42.75 1q23 s TYR 8 CO 0.48 -0.37 -0.26 0.99 -1.52 0.00 0.00 175.55 174.87 1q23 s THR 9 N -2.71 2.05 -0.10 -3.49 2.01 -0.60 -4.92 115.64 107.87 1q23 s THR 9 Ca 0.09 -1.09 -0.14 0.00 0.31 0.00 0.00 61.69 60.86 1q23 s THR 9 Cb -0.00 -1.71 -0.05 0.00 0.01 0.00 0.00 72.50 70.75 1q23 s THR 9 CO -0.05 0.57 0.34 -0.89 -0.69 0.00 0.00 174.62 173.90 1q23 s THR 10 N -0.42 5.23 0.15 -0.82 2.01 -1.26 -0.01 115.64 120.52 1q23 s THR 10 Ca 0.04 0.66 -0.29 0.00 0.31 0.00 0.00 61.69 62.41 1q23 s THR 10 Cb -0.12 -3.66 -0.07 0.00 0.01 0.00 0.00 72.50 68.67 1q23 s THR 10 CO 0.01 0.46 0.91 -0.69 -0.69 0.00 0.00 174.62 174.63 1q23 s VAL 11 N -0.15 4.37 -0.64 3.82 1.01 -0.75 -4.95 120.40 123.10 1q23 s VAL 11 Ca 0.20 1.99 -0.20 0.00 0.00 0.00 0.00 61.98 63.98 1q23 s VAL 11 Cb -0.14 -4.28 0.10 0.00 0.00 0.00 0.00 36.38 32.05 1q23 s VAL 11 CO 0.08 0.40 0.80 -0.62 0.00 0.00 0.00 175.10 175.77 1q23 s ASP 12 N -0.52 6.23 0.42 3.32 3.68 -1.26 -4.85 116.67 123.69 1q23 s ASP 12 Ca 0.43 -1.39 0.14 0.00 2.13 0.00 0.00 52.55 53.85 1q23 s ASP 12 Cb -0.24 -2.34 0.92 0.00 -1.45 0.00 0.00 42.92 39.81 1q23 s ASP 12 CO 0.29 -1.19 1.95 0.40 0.13 0.00 0.00 175.17 176.76 1q23 h ILE 13 N 5.90 1.17 0.00 4.11 2.04 -1.96 -2.15 117.51 126.63 1q23 h ILE 13 Ca -0.25 -0.79 -0.05 0.00 1.00 0.00 0.00 64.86 64.77 1q23 h ILE 13 Cb 1.08 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 38.57 1q23 h ILE 13 CO 1.11 0.23 -0.22 0.77 0.00 0.00 0.00 178.15 180.04 1q23 h SER 14 N 0.01 0.00 -0.52 1.72 4.64 -2.02 -2.93 113.55 114.45 1q23 h SER 14 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1q23 h SER 14 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1q23 h SER 14 CO 0.03 0.22 0.00 0.00 -0.87 0.00 0.00 176.83 176.21 1q23 n GLN 15 N -3.90 2.58 -3.16 4.77 1.13 -0.81 -4.96 117.38 113.03 1q23 n GLN 15 Ca -0.02 -2.39 -0.40 0.00 -1.94 0.00 0.00 57.00 52.25 1q23 n GLN 15 Cb 0.31 -1.50 -0.06 0.00 0.11 0.00 0.00 30.24 29.09 1q23 n GLN 15 CO 0.00 0.00 0.00 -0.46 -1.44 0.00 0.00 177.06 175.16 1q23 s TRP 16 N -1.21 3.33 0.55 1.08 -0.00 -1.11 -4.96 118.94 116.63 1q23 s TRP 16 Ca 0.41 0.82 0.35 0.00 -0.00 0.00 0.00 56.10 57.68 1q23 s TRP 16 Cb 0.22 -2.78 1.51 0.00 -0.00 0.00 0.00 33.47 32.43 1q23 s TRP 16 CO 0.30 -0.22 1.79 0.45 -0.00 0.00 0.00 176.95 179.27 1q23 h HIS 17 N 7.68 0.00 -0.48 5.86 3.86 -1.93 -1.97 115.15 128.17 1q23 h HIS 17 Ca -0.30 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.91 1q23 h HIS 17 Cb 1.14 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.61 1q23 h HIS 17 CO 0.73 0.00 0.00 0.54 0.86 0.00 0.00 177.93 180.06 1q23 n ARG 18 N -4.08 3.97 0.14 2.45 1.74 -1.26 -4.62 116.66 115.00 1q23 n ARG 18 Ca 0.23 -2.51 -0.16 0.00 -0.77 0.00 0.00 57.85 54.64 1q23 n ARG 18 Cb 1.18 -2.05 -0.09 0.00 -1.02 0.00 0.00 32.46 30.49 1q23 n ARG 18 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1q23 h LYS 19 N 3.27 -0.73 -0.76 5.56 3.64 -1.63 0.65 116.57 126.56 1q23 h LYS 19 Ca 0.00 0.05 0.14 0.00 -1.27 0.00 0.00 60.65 59.57 1q23 h LYS 19 Cb 1.60 0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 33.54 1q23 h LYS 19 CO 0.36 -0.49 0.50 1.49 -2.27 0.00 0.00 179.45 179.04 1q23 h GLU 20 N -0.76 0.45 -0.05 1.90 4.81 -1.85 -0.90 114.58 118.18 1q23 h GLU 20 Ca -0.00 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.03 1q23 h GLU 20 Cb 0.75 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 30.04 1q23 h GLU 20 CO -0.24 0.30 -0.62 0.45 -0.73 0.00 0.00 179.01 178.17 1q23 h HIS 21 N 0.46 0.72 -0.60 0.92 3.86 -1.46 -2.43 115.15 116.63 1q23 h HIS 21 Ca 0.37 -0.36 -0.02 0.00 -1.16 0.00 0.00 60.37 59.20 1q23 h HIS 21 Cb 0.79 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 29.13 1q23 h HIS 21 CO -0.00 1.16 0.29 0.35 0.86 0.00 0.00 177.93 180.59 1q23 h PHE 22 N 0.08 0.86 -0.47 2.45 3.04 0.69 0.25 116.94 123.83 1q23 h PHE 22 Ca -0.06 -0.04 -0.02 0.00 3.98 0.00 0.00 57.97 61.83 1q23 h PHE 22 Cb 1.29 -0.27 -0.02 0.00 2.56 0.00 0.00 35.95 39.51 1q23 h PHE 22 CO 0.12 0.65 0.22 0.93 -2.02 0.00 0.00 178.31 178.21 1q23 h GLU 23 N 0.82 0.69 -0.12 1.11 5.08 -1.17 -1.27 114.58 119.71 1q23 h GLU 23 Ca 0.21 -0.11 -0.08 0.00 -1.00 0.00 0.00 59.36 58.38 1q23 h GLU 23 Cb 0.11 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1q23 h GLU 23 CO -0.03 0.59 -0.29 0.00 -1.00 0.00 0.00 179.01 178.28 1q23 h ALA 24 N 1.06 1.28 0.00 3.43 0.00 -1.05 -2.67 119.26 121.31 1q23 h ALA 24 Ca 0.16 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1q23 h ALA 24 Cb 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1q23 h ALA 24 CO -0.02 0.49 -0.47 0.74 0.00 0.00 0.00 179.25 179.99 1q23 h PHE 25 N 0.21 0.00 0.00 0.00 0.05 -0.21 0.09 116.94 117.07 1q23 h PHE 25 Ca 0.03 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.82 1q23 h PHE 25 Cb 0.63 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.58 1q23 h PHE 25 CO 0.01 0.00 -0.42 1.04 -0.18 0.00 0.00 178.31 178.76 1q23 n GLN 26 N -2.18 0.14 0.00 1.51 1.13 -0.51 -3.73 117.38 113.74 1q23 n GLN 26 Ca 0.04 0.05 0.00 0.00 -1.94 0.00 0.00 57.00 55.15 1q23 n GLN 26 Cb 0.44 -1.60 0.00 0.00 0.11 0.00 0.00 30.24 29.19 1q23 n GLN 26 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1q23 n SER 27 N -1.81 0.00 -0.31 1.08 3.41 -0.95 -4.82 113.62 110.22 1q23 n SER 27 Ca 0.05 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.81 1q23 n SER 27 Cb 0.39 0.00 0.33 0.00 -0.26 0.00 0.00 64.21 64.66 1q23 n SER 27 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1q23 h VAL 28 N 0.00 0.28 -0.47 -3.33 3.04 -1.80 -0.98 116.25 113.00 1q23 h VAL 28 Ca 0.00 -0.07 -0.08 0.00 -1.01 0.00 0.00 66.70 65.54 1q23 h VAL 28 Cb 0.00 0.06 -0.05 0.00 -2.01 0.00 0.00 31.29 29.29 1q23 h VAL 28 CO 0.00 0.04 0.07 0.00 -1.01 0.00 0.00 177.57 176.66 1q23 n ALA 29 N -2.66 3.76 -1.66 3.17 0.00 -0.02 -5.03 120.51 118.07 1q23 n ALA 29 Ca 0.24 -2.33 -0.43 0.00 0.00 0.00 0.00 53.44 50.91 1q23 n ALA 29 Cb 0.75 -0.95 -0.01 0.00 0.00 0.00 0.00 19.45 19.24 1q23 n ALA 29 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1q23 n GLN 30 N -0.24 1.85 -3.58 0.00 7.27 -0.37 -4.65 117.38 117.67 1q23 n GLN 30 Ca 0.29 0.65 -0.06 0.00 0.07 0.00 0.00 57.00 57.95 1q23 n GLN 30 Cb 1.11 -2.17 -0.03 0.00 2.41 0.00 0.00 30.24 31.56 1q23 n GLN 30 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1q23 s THR 32 N -2.12 3.61 0.00 0.00 2.01 -1.26 -0.66 115.64 117.22 1q23 s THR 32 Ca 0.06 -1.50 -0.13 0.00 0.31 0.00 0.00 61.69 60.43 1q23 s THR 32 Cb -0.01 -3.16 0.02 0.00 0.01 0.00 0.00 72.50 69.36 1q23 s THR 32 CO -0.05 -0.23 0.28 -0.72 -0.69 0.00 0.00 174.62 173.21 1q23 s TYR 33 N -2.30 -0.12 -0.01 4.92 -0.85 -0.80 -4.89 117.35 113.31 1q23 s TYR 33 Ca 0.38 0.11 0.07 0.00 -0.52 0.00 0.00 57.07 57.10 1q23 s TYR 33 Cb -0.06 0.07 -0.02 0.00 0.38 0.00 0.00 41.96 42.34 1q23 s TYR 33 CO 0.25 -0.40 -0.21 -0.80 -1.52 0.00 0.00 175.55 172.86 1q23 s ASN 34 N -1.55 2.46 0.04 -0.18 -0.87 -1.26 -0.74 114.94 112.83 1q23 s ASN 34 Ca -0.11 -0.39 0.00 0.00 -1.57 0.00 0.00 52.86 50.79 1q23 s ASN 34 Cb -0.04 -0.27 -0.03 0.00 -0.02 0.00 0.00 41.25 40.89 1q23 s ASN 34 CO 0.02 0.25 -0.04 0.00 -2.57 0.00 0.00 177.10 174.76 1q23 s GLN 35 N -0.56 0.45 0.03 -0.60 -2.07 -0.10 -4.98 119.66 111.82 1q23 s GLN 35 Ca 0.08 -0.82 0.04 0.00 -1.82 0.00 0.00 55.36 52.85 1q23 s GLN 35 Cb -0.08 0.05 -0.02 0.00 -1.09 0.00 0.00 33.01 31.87 1q23 s GLN 35 CO -0.01 -0.05 -0.13 0.99 -1.32 0.00 0.00 175.29 174.78 1q23 s THR 36 N -2.14 1.04 0.07 3.63 2.01 -1.26 -0.29 115.64 118.70 1q23 s THR 36 Ca -0.08 -0.87 0.02 0.00 0.31 0.00 0.00 61.69 61.07 1q23 s THR 36 Cb -0.05 -0.93 -0.03 0.00 0.01 0.00 0.00 72.50 71.50 1q23 s THR 36 CO -0.03 0.05 -0.07 0.54 -0.69 0.00 0.00 174.62 174.42 1q23 s VAL 37 N -0.72 0.62 -0.75 3.82 0.11 -0.36 -4.96 120.40 118.15 1q23 s VAL 37 Ca 0.02 -1.55 -0.15 0.00 -2.93 0.00 0.00 61.98 57.37 1q23 s VAL 37 Cb -0.07 -1.20 0.18 0.00 -1.53 0.00 0.00 36.38 33.76 1q23 s VAL 37 CO 0.01 -0.65 0.73 -1.10 -3.33 0.00 0.00 175.10 170.76 1q23 s GLN 38 N -2.82 3.41 0.25 1.54 -1.52 -1.26 -0.06 119.66 119.19 1q23 s GLN 38 Ca 0.02 -2.11 -0.30 0.00 -1.95 0.00 0.00 55.36 51.02 1q23 s GLN 38 Cb -0.02 -4.43 -0.09 0.00 -0.22 0.00 0.00 33.01 28.25 1q23 s GLN 38 CO -0.02 -1.37 1.00 -1.17 -0.25 0.00 0.00 175.29 173.48 1q23 s LEU 39 N 0.98 4.61 -0.60 2.90 0.20 1.00 -4.76 118.68 123.00 1q23 s LEU 39 Ca 0.15 2.05 -0.28 0.00 0.69 0.00 0.00 54.13 56.75 1q23 s LEU 39 Cb -0.16 -3.61 0.03 0.00 -0.43 0.00 0.00 46.19 42.02 1q23 s LEU 39 CO -0.05 0.04 1.25 -0.62 -0.29 0.00 0.00 176.35 176.68 1q23 s ASP 40 N -0.99 6.34 -0.05 3.68 3.68 -1.26 -1.37 116.67 126.69 1q23 s ASP 40 Ca 0.43 0.05 0.18 0.00 2.13 0.00 0.00 52.55 55.33 1q23 s ASP 40 Cb -0.28 -2.55 0.57 0.00 -1.45 0.00 0.00 42.92 39.21 1q23 s ASP 40 CO 0.35 -1.59 1.48 2.30 0.13 0.00 0.00 175.17 177.84 1q23 n ILE 41 N 6.66 1.36 -0.21 4.11 -5.35 0.20 -4.65 119.36 121.48 1q23 n ILE 41 Ca 0.08 -1.13 -0.07 0.00 -0.27 0.00 0.00 62.75 61.37 1q23 n ILE 41 Cb 0.49 0.33 -0.06 0.00 -1.74 0.00 0.00 39.64 38.66 1q23 n ILE 41 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1q23 h THR 42 N 3.42 0.00 0.68 7.28 2.02 -1.80 0.52 112.91 125.03 1q23 h THR 42 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 1q23 h THR 42 Cb 1.10 0.00 0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1q23 h THR 42 CO 0.09 0.00 -0.33 0.00 0.37 0.00 0.00 175.52 175.65 1q23 h ALA 43 N -0.23 -0.91 -0.83 6.16 0.00 -1.89 -2.62 119.26 118.93 1q23 h ALA 43 Ca 0.08 -0.22 0.14 0.00 0.00 0.00 0.00 54.91 54.91 1q23 h ALA 43 Cb 0.26 0.35 -0.14 0.00 0.00 0.00 0.00 17.79 18.26 1q23 h ALA 43 CO -0.50 -0.94 -0.30 0.34 0.00 0.00 0.00 179.25 177.85 1q23 n PHE 44 N -5.43 0.09 -0.21 0.00 7.35 -1.17 -0.65 117.46 117.43 1q23 n PHE 44 Ca -0.13 1.02 -0.08 0.00 -0.76 0.00 0.00 57.45 57.51 1q23 n PHE 44 Cb 0.38 -0.85 0.03 0.00 0.35 0.00 0.00 39.48 39.39 1q23 n PHE 44 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 1q23 h LEU 45 N 0.00 0.81 -0.27 -2.13 6.46 -0.80 0.35 115.31 119.74 1q23 h LEU 45 Ca 0.32 -0.17 0.01 0.00 -0.12 0.00 0.00 57.88 57.91 1q23 h LEU 45 Cb 0.52 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.23 1q23 h LEU 45 CO -0.83 0.77 0.16 0.11 -0.62 0.00 0.00 178.44 178.02 1q23 h LYS 46 N 0.81 0.32 -0.14 1.25 1.57 -0.98 0.28 116.57 119.68 1q23 h LYS 46 Ca 0.19 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1q23 h LYS 46 Cb 0.21 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1q23 h LYS 46 CO -0.01 0.21 0.08 1.15 -0.57 0.00 0.00 179.45 180.30 1q23 h THR 47 N 0.33 1.09 0.47 -0.16 2.02 -0.25 0.26 112.91 116.66 1q23 h THR 47 Ca 0.10 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 1q23 h THR 47 Cb -0.01 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 1q23 h THR 47 CO -0.05 0.08 -0.52 0.58 0.37 0.00 0.00 175.52 175.99 1q23 h VAL 48 N 0.13 0.00 -0.96 3.16 2.07 0.49 -1.99 116.25 119.15 1q23 h VAL 48 Ca 0.05 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.74 1q23 h VAL 48 Cb 0.06 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 29.66 1q23 h VAL 48 CO -0.01 0.00 -0.31 0.29 0.02 0.00 0.00 177.57 177.56 1q23 n LYS 49 N -5.56 -0.16 -0.14 1.57 4.76 0.01 -1.52 118.16 117.12 1q23 n LYS 49 Ca -0.12 1.50 -0.04 0.00 -2.87 0.00 0.00 58.31 56.78 1q23 n LYS 49 Cb 0.46 -2.23 0.02 0.00 -1.84 0.00 0.00 35.03 31.45 1q23 n LYS 49 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 1q23 h LYS 50 N 0.00 -0.04 -0.69 1.97 1.63 0.28 -1.66 116.57 118.05 1q23 h LYS 50 Ca 0.40 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 60.16 1q23 h LYS 50 Cb 0.64 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.26 1q23 h LYS 50 CO -0.98 -0.03 0.06 0.09 -3.45 0.00 0.00 179.45 175.14 1q23 n ASN 51 N -5.36 4.77 -3.37 4.20 3.02 -0.99 -4.91 115.26 112.63 1q23 n ASN 51 Ca 0.03 -2.82 -0.22 0.00 -0.03 0.00 0.00 54.58 51.54 1q23 n ASN 51 Cb 0.27 -0.67 -0.05 0.00 -0.61 0.00 0.00 39.78 38.72 1q23 n ASN 51 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1q23 n LYS 52 N 0.37 -0.89 -2.39 3.52 4.76 -0.62 -4.95 118.16 117.97 1q23 n LYS 52 Ca 0.26 0.07 -0.34 0.00 -2.87 0.00 0.00 58.31 55.42 1q23 n LYS 52 Cb 1.08 -2.43 -0.02 0.00 -1.84 0.00 0.00 35.03 31.82 1q23 n LYS 52 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1q23 s HIS 53 N -2.91 2.90 0.35 2.13 3.76 -0.58 -5.00 115.29 115.94 1q23 s HIS 53 Ca 0.28 1.56 -0.27 0.00 -0.15 0.00 0.00 55.06 56.48 1q23 s HIS 53 Cb -0.17 -3.12 -0.09 0.00 1.11 0.00 0.00 32.58 30.31 1q23 s HIS 53 CO 0.58 -1.09 1.18 0.15 -0.85 0.00 0.00 174.74 174.72 1q23 s LYS 54 N -3.37 4.28 -0.02 1.40 3.01 -1.26 -4.59 119.74 119.18 1q23 s LYS 54 Ca 0.68 1.92 -0.25 0.00 -1.01 0.00 0.00 55.97 57.31 1q23 s LYS 54 Cb -0.18 -2.90 -0.19 0.00 -1.01 0.00 0.00 37.83 33.54 1q23 s LYS 54 CO 0.24 -0.15 1.21 0.35 0.51 0.00 0.00 175.35 177.52 1q23 h PHE 55 N 3.11 -0.07 0.09 3.18 3.57 -1.96 -3.27 116.94 121.59 1q23 h PHE 55 Ca -0.48 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.03 1q23 h PHE 55 Cb 1.23 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.95 1q23 h PHE 55 CO 0.56 0.40 -0.43 -0.92 -2.23 0.00 0.00 178.31 175.69 1q23 h TYR 56 N -0.56 -1.25 -0.84 0.41 3.20 -1.99 0.21 116.97 116.15 1q23 h TYR 56 Ca -0.01 0.03 0.21 0.00 3.14 0.00 0.00 58.73 62.11 1q23 h TYR 56 Cb 0.50 0.54 -0.14 0.00 1.54 0.00 0.00 36.73 39.16 1q23 h TYR 56 CO 0.09 -0.48 0.10 -1.35 -1.64 0.00 0.00 178.16 174.87 1q23 h PRO 57 N -0.61 0.13 -0.32 1.82 0.11 -2.00 -0.23 132.00 130.91 1q23 h PRO 57 Ca -0.00 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.98 1q23 h PRO 57 Cb 0.61 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.69 1q23 h PRO 57 CO -0.24 0.09 -0.25 0.00 -0.21 0.00 0.00 178.00 177.39 1q23 h ALA 58 N 1.77 0.46 0.27 -0.75 0.00 -1.50 -0.18 119.26 119.33 1q23 h ALA 58 Ca 0.49 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1q23 h ALA 58 Cb 0.94 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1q23 h ALA 58 CO -0.69 0.44 -0.13 0.35 0.00 0.00 0.00 179.25 179.22 1q23 h PHE 59 N 0.49 -0.34 -0.93 0.00 3.57 -0.12 -2.72 116.94 116.89 1q23 h PHE 59 Ca 0.06 -0.01 0.23 0.00 3.53 0.00 0.00 57.97 61.78 1q23 h PHE 59 Cb 0.81 0.11 -0.13 0.00 2.79 0.00 0.00 35.95 39.53 1q23 h PHE 59 CO 0.07 -0.07 0.45 0.82 -2.23 0.00 0.00 178.31 177.35 1q23 h ILE 60 N -0.57 0.48 -0.43 1.41 2.04 -0.98 -1.21 117.51 118.26 1q23 h ILE 60 Ca -0.04 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 1q23 h ILE 60 Cb 0.41 -0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 1q23 h ILE 60 CO 0.06 0.08 0.24 -0.74 0.00 0.00 0.00 178.15 177.79 1q23 h HIS 61 N 0.44 0.59 -0.42 1.37 2.76 -1.00 -0.11 115.15 118.77 1q23 h HIS 61 Ca 0.59 -0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.82 1q23 h HIS 61 Cb 1.13 -0.19 -0.06 0.00 1.55 0.00 0.00 27.41 29.85 1q23 h HIS 61 CO -0.10 0.44 0.08 0.82 -1.30 0.00 0.00 177.93 177.88 1q23 h ILE 62 N 0.56 0.77 -0.84 6.26 1.08 -0.92 0.14 117.51 124.57 1q23 h ILE 62 Ca 0.15 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 64.55 1q23 h ILE 62 Cb 0.04 0.54 -0.04 0.00 -3.07 0.00 0.00 36.82 34.29 1q23 h ILE 62 CO -0.03 0.04 0.54 -0.07 -0.69 0.00 0.00 178.15 177.94 1q23 h LEU 63 N 0.21 0.99 -0.53 1.44 3.38 -0.79 -0.64 115.31 119.37 1q23 h LEU 63 Ca 0.21 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 58.00 1q23 h LEU 63 Cb 0.26 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1q23 h LEU 63 CO -0.27 0.74 -0.28 0.00 0.09 0.00 0.00 178.44 178.71 1q23 h ALA 64 N 1.29 0.72 -0.87 1.53 0.00 -0.76 -0.90 119.26 120.26 1q23 h ALA 64 Ca 0.31 -0.41 0.13 0.00 0.00 0.00 0.00 54.91 54.93 1q23 h ALA 64 Cb -0.09 -0.15 -0.09 0.00 0.00 0.00 0.00 17.79 17.47 1q23 h ALA 64 CO -0.06 0.66 0.49 0.00 0.00 0.00 0.00 179.25 180.34 1q23 h ARG 65 N 0.75 0.73 0.09 0.00 3.08 -0.08 -1.32 114.38 117.62 1q23 h ARG 65 Ca 0.09 -0.04 -0.26 0.00 0.07 0.00 0.00 59.98 59.84 1q23 h ARG 65 Cb 0.85 -0.17 0.02 0.00 0.08 0.00 0.00 29.97 30.76 1q23 h ARG 65 CO 0.07 0.48 -1.05 -0.07 -1.07 0.00 0.00 179.97 178.33 1q23 h LEU 66 N 0.75 0.78 -1.40 3.04 3.38 -0.40 -2.95 115.31 118.51 1q23 h LEU 66 Ca 0.45 -0.82 0.03 0.00 0.09 0.00 0.00 57.88 57.63 1q23 h LEU 66 Cb 0.54 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 1q23 h LEU 66 CO -0.31 1.51 0.43 0.24 0.09 0.00 0.00 178.44 180.40 1q23 h MET 67 N 0.15 0.77 -0.13 1.13 2.86 -0.91 -2.23 114.93 116.56 1q23 h MET 67 Ca -0.16 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.44 1q23 h MET 67 Cb 1.75 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 33.24 1q23 h MET 67 CO 0.20 0.51 0.00 0.09 1.06 0.00 0.00 176.91 178.77 1q23 n ASN 68 N -4.46 0.94 -0.00 1.22 3.02 -0.52 -3.39 115.26 112.07 1q23 n ASN 68 Ca 0.08 -1.75 0.04 0.00 -0.03 0.00 0.00 54.58 52.92 1q23 n ASN 68 Cb 0.11 -0.09 -0.06 0.00 -0.61 0.00 0.00 39.78 39.14 1q23 n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1q23 n ALA 69 N -0.09 2.95 -3.75 5.41 0.00 -0.84 -4.98 120.51 119.20 1q23 n ALA 69 Ca 0.11 -0.25 -0.15 0.00 0.00 0.00 0.00 53.44 53.15 1q23 n ALA 69 Cb 0.19 -0.33 -0.16 0.00 0.00 0.00 0.00 19.45 19.15 1q23 n ALA 69 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1q23 s HIS 70 N -2.09 -0.03 0.37 0.00 3.76 -1.20 -5.05 115.29 111.05 1q23 s HIS 70 Ca 0.01 0.26 0.05 0.00 -0.15 0.00 0.00 55.06 55.23 1q23 s HIS 70 Cb 0.07 -0.22 0.72 0.00 1.11 0.00 0.00 32.58 34.26 1q23 s HIS 70 CO 0.38 -0.13 1.97 -1.00 -0.85 0.00 0.00 174.74 175.12 1q23 h PRO 71 N 7.42 0.58 0.00 8.40 0.13 -1.94 -2.44 132.00 144.14 1q23 h PRO 71 Ca -0.41 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1q23 h PRO 71 Cb 1.13 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1q23 h PRO 71 CO 0.43 0.47 0.15 1.05 -0.23 0.00 0.00 178.00 179.87 1q23 h GLU 72 N 0.58 0.00 -0.68 0.86 9.09 -1.92 0.51 114.58 123.01 1q23 h GLU 72 Ca 0.14 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.55 1q23 h GLU 72 Cb 0.10 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.20 1q23 h GLU 72 CO -0.02 0.00 0.00 1.19 0.05 0.00 0.00 179.01 180.23 1q23 n PHE 73 N -2.50 0.93 -1.77 2.06 3.01 -0.92 -4.37 117.46 113.91 1q23 n PHE 73 Ca -0.02 -0.46 0.06 0.00 1.01 0.00 0.00 57.45 58.04 1q23 n PHE 73 Cb 0.19 -0.01 0.12 0.00 -0.01 0.00 0.00 39.48 39.77 1q23 n PHE 73 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1q23 n ARG 74 N 1.46 0.91 -3.03 -1.08 1.74 0.17 -4.69 116.66 112.14 1q23 n ARG 74 Ca 0.23 -2.51 -0.28 0.00 -0.77 0.00 0.00 57.85 54.51 1q23 n ARG 74 Cb 0.59 -1.04 -0.02 0.00 -1.02 0.00 0.00 32.46 30.97 1q23 n ARG 74 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1q23 s MET 75 N -1.91 3.65 0.08 5.56 -1.94 -1.25 -0.44 119.30 123.04 1q23 s MET 75 Ca 0.31 0.17 -0.26 0.00 -1.71 0.00 0.00 55.69 54.19 1q23 s MET 75 Cb 0.31 -2.50 0.08 0.00 2.01 0.00 0.00 34.83 34.72 1q23 s MET 75 CO -0.06 0.03 0.83 0.00 -0.01 0.00 0.00 175.02 175.81 1q23 s ALA 76 N -2.34 -1.70 -0.42 3.03 0.00 -0.82 -4.62 121.76 114.89 1q23 s ALA 76 Ca 0.47 0.62 -0.15 0.00 0.00 0.00 0.00 51.96 52.90 1q23 s ALA 76 Cb -0.10 0.59 0.03 0.00 0.00 0.00 0.00 23.12 23.64 1q23 s ALA 76 CO 0.34 -0.81 0.31 -1.64 0.00 0.00 0.00 175.76 173.96 1q23 s MET 77 N -3.34 2.96 -0.25 0.00 -1.94 -1.26 -1.15 119.30 114.31 1q23 s MET 77 Ca 0.06 -1.07 0.01 0.00 -1.71 0.00 0.00 55.69 52.98 1q23 s MET 77 Cb -0.01 -3.98 0.05 0.00 2.01 0.00 0.00 34.83 32.89 1q23 s MET 77 CO -0.06 -0.79 -0.10 0.21 -0.01 0.00 0.00 175.02 174.27 1q23 s LYS 78 N 1.66 2.46 -1.27 2.03 2.20 0.13 -4.72 119.74 122.23 1q23 s LYS 78 Ca 0.05 -1.21 -0.02 0.00 -0.36 0.00 0.00 55.97 54.42 1q23 s LYS 78 Cb -0.20 -2.90 0.01 0.00 -1.51 0.00 0.00 37.83 33.23 1q23 s LYS 78 CO 0.09 -0.50 0.97 -0.25 -0.36 0.00 0.00 175.35 175.30 1q23 n ASP 79 N 4.52 -2.76 0.00 1.43 10.43 -1.26 -1.41 116.55 127.50 1q23 n ASP 79 Ca -0.15 -0.65 0.00 0.00 2.57 0.00 0.00 54.79 56.55 1q23 n ASP 79 Cb 0.44 -4.84 0.00 0.00 1.84 0.00 0.00 41.12 38.56 1q23 n ASP 79 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1q23 n GLY 80 N -1.40 1.54 3.20 0.44 0.00 -1.26 -4.99 105.19 102.73 1q23 n GLY 80 Ca -0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 1q23 n GLY 80 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1q23 s GLU 81 N -0.06 2.04 -0.06 1.61 2.02 -0.50 -5.09 118.70 118.67 1q23 s GLU 81 Ca 0.00 -0.75 -0.29 0.00 0.02 0.00 0.00 54.97 53.95 1q23 s GLU 81 Cb 0.00 -1.80 -0.07 0.00 0.10 0.00 0.00 34.13 32.36 1q23 s GLU 81 CO 0.00 0.34 2.06 -1.17 0.02 0.00 0.00 175.26 176.52 1q23 s LEU 82 N -0.16 4.06 0.24 1.80 2.96 -1.26 0.19 118.68 126.51 1q23 s LEU 82 Ca -0.01 2.38 0.09 0.00 -0.22 0.00 0.00 54.13 56.37 1q23 s LEU 82 Cb -0.12 -3.52 -0.05 0.00 0.50 0.00 0.00 46.19 43.00 1q23 s LEU 82 CO 0.02 -1.40 -0.15 0.54 -1.32 0.00 0.00 176.35 174.04 1q23 s VAL 83 N 5.92 1.93 -0.22 1.68 0.11 -0.30 -1.82 120.40 127.70 1q23 s VAL 83 Ca 0.93 -2.25 -0.02 0.00 -2.93 0.00 0.00 61.98 57.70 1q23 s VAL 83 Cb -0.39 -2.18 0.01 0.00 -1.53 0.00 0.00 36.38 32.29 1q23 s VAL 83 CO 0.39 -0.50 -0.08 -0.63 -3.33 0.00 0.00 175.10 170.96 1q23 s ILE 84 N -2.85 2.99 0.63 7.04 1.01 0.99 -1.94 121.20 129.07 1q23 s ILE 84 Ca 0.26 -0.74 -0.17 0.00 0.00 0.00 0.00 60.65 60.00 1q23 s ILE 84 Cb -0.01 -2.40 -0.01 0.00 0.01 0.00 0.00 42.46 40.05 1q23 s ILE 84 CO 0.10 0.37 1.16 0.26 0.00 0.00 0.00 174.94 176.83 1q23 s TRP 85 N 1.40 2.45 0.23 3.97 0.52 0.41 -1.56 118.94 126.36 1q23 s TRP 85 Ca 0.04 1.55 -0.00 0.00 0.02 0.00 0.00 56.10 57.71 1q23 s TRP 85 Cb -0.15 -3.34 0.25 0.00 -1.15 0.00 0.00 33.47 29.09 1q23 s TRP 85 CO -0.05 -1.99 1.61 -0.44 0.02 0.00 0.00 176.95 176.09 1q23 h ASP 86 N 0.42 0.54 -5.19 2.95 3.45 -1.70 -3.44 116.42 113.45 1q23 h ASP 86 Ca -0.49 -0.24 -0.10 0.00 0.43 0.00 0.00 57.03 56.63 1q23 h ASP 86 Cb 1.27 -0.15 -0.15 0.00 -0.56 0.00 0.00 39.33 39.75 1q23 h ASP 86 CO 0.54 0.89 -0.51 -0.94 -1.57 0.00 0.00 179.24 177.65 1q23 s SER 87 N -6.86 0.28 0.15 6.45 1.04 -1.26 -5.05 113.70 108.46 1q23 s SER 87 Ca -0.07 -0.79 0.08 0.00 0.48 0.00 0.00 55.95 55.64 1q23 s SER 87 Cb 0.12 0.28 -0.04 0.00 0.10 0.00 0.00 66.02 66.48 1q23 s SER 87 CO 0.82 -0.67 -0.17 0.68 0.98 0.00 0.00 173.24 174.88 1q23 s VAL 88 N -3.83 1.67 -0.01 5.02 -7.23 -1.26 -4.90 120.40 109.85 1q23 s VAL 88 Ca 0.05 -1.88 0.04 0.00 -1.81 0.00 0.00 61.98 58.38 1q23 s VAL 88 Cb 0.06 -1.77 -0.03 0.00 0.56 0.00 0.00 36.38 35.20 1q23 s VAL 88 CO -0.10 -0.37 -0.11 -1.00 -0.31 0.00 0.00 175.10 173.20 1q23 s HIS 89 N -2.15 2.76 0.07 2.82 3.76 -0.59 -4.71 115.29 117.25 1q23 s HIS 89 Ca 0.14 -0.12 -0.31 0.00 -0.15 0.00 0.00 55.06 54.63 1q23 s HIS 89 Cb -0.05 -1.59 -0.06 0.00 1.11 0.00 0.00 32.58 31.99 1q23 s HIS 89 CO 0.05 0.29 1.26 -1.25 -0.85 0.00 0.00 174.74 174.24 1q23 s PRO 90 N -1.19 4.40 -0.38 8.40 0.04 -1.25 -1.39 135.00 143.62 1q23 s PRO 90 Ca 0.15 1.86 -0.02 0.00 0.04 0.00 0.00 61.00 63.03 1q23 s PRO 90 Cb -0.11 -3.32 0.10 0.00 0.04 0.00 0.00 34.50 31.20 1q23 s PRO 90 CO 0.05 -0.31 0.14 0.00 0.04 0.00 0.00 177.00 176.91 1q23 s TYR 92 N 1.13 2.83 0.58 0.00 -0.85 0.31 -1.88 117.35 119.48 1q23 s TYR 92 Ca 0.06 -0.15 -0.16 0.00 -0.52 0.00 0.00 57.07 56.30 1q23 s TYR 92 Cb -0.22 -1.36 -0.04 0.00 0.38 0.00 0.00 41.96 40.72 1q23 s TYR 92 CO -0.04 0.53 1.04 0.95 -1.52 0.00 0.00 175.55 176.51 1q23 s THR 93 N -1.81 3.99 -0.05 -3.49 -4.23 -0.68 -0.88 115.64 108.49 1q23 s THR 93 Ca 0.28 0.93 0.01 0.00 -1.18 0.00 0.00 61.69 61.73 1q23 s THR 93 Cb -0.09 -3.46 0.02 0.00 1.34 0.00 0.00 72.50 70.31 1q23 s THR 93 CO 0.19 -0.56 -0.06 0.54 -0.54 0.00 0.00 174.62 174.18 1q23 s VAL 94 N -2.52 0.67 -0.03 2.29 0.11 0.15 -4.75 120.40 116.31 1q23 s VAL 94 Ca 0.62 -0.19 -0.18 0.00 -2.93 0.00 0.00 61.98 59.30 1q23 s VAL 94 Cb -0.15 -0.67 -0.05 0.00 -1.53 0.00 0.00 36.38 33.98 1q23 s VAL 94 CO 0.36 0.26 0.50 0.12 -3.33 0.00 0.00 175.10 173.01 1q23 s PHE 95 N 0.91 3.65 -0.52 1.54 5.36 -1.26 -1.89 117.98 125.77 1q23 s PHE 95 Ca -0.11 1.04 -0.17 0.00 -0.96 0.00 0.00 56.93 56.73 1q23 s PHE 95 Cb -0.15 -2.48 0.10 0.00 -0.34 0.00 0.00 43.02 40.15 1q23 s PHE 95 CO 0.01 0.40 0.53 -1.01 -1.46 0.00 0.00 175.22 173.68 1q23 s HIS 96 N -0.27 3.17 0.21 10.12 3.76 0.22 -4.91 115.29 127.59 1q23 s HIS 96 Ca 0.27 -1.00 -0.09 0.00 -0.15 0.00 0.00 55.06 54.08 1q23 s HIS 96 Cb -0.17 -3.61 0.21 0.00 1.11 0.00 0.00 32.58 30.12 1q23 s HIS 96 CO 0.14 -1.01 1.85 0.93 -0.85 0.00 0.00 174.74 175.81 1q23 h GLU 97 N 8.92 0.88 0.00 1.40 4.39 -1.96 0.37 114.58 128.59 1q23 h GLU 97 Ca -0.29 -0.05 -0.14 0.00 0.34 0.00 0.00 59.36 59.22 1q23 h GLU 97 Cb 1.10 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.53 1q23 h GLU 97 CO 0.99 0.58 -0.66 1.96 -1.16 0.00 0.00 179.01 180.73 1q23 h GLN 98 N 0.90 0.00 -0.10 2.33 4.20 -1.94 -3.17 115.11 117.33 1q23 h GLN 98 Ca 0.30 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.01 1q23 h GLN 98 Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1q23 h GLN 98 CO -0.11 0.66 0.00 0.25 -0.67 0.00 0.00 178.83 178.96 1q23 n THR 99 N -3.59 0.16 -3.73 -0.54 -2.24 -1.08 -5.01 114.28 98.25 1q23 n THR 99 Ca -0.00 -0.58 -0.26 0.00 -2.27 0.00 0.00 64.05 60.93 1q23 n THR 99 Cb 0.68 1.20 0.05 0.00 -2.10 0.00 0.00 70.33 70.17 1q23 n THR 99 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1q23 n GLU 100 N 0.94 -6.73 -4.26 -0.78 1.02 0.13 -4.99 120.64 105.97 1q23 n GLU 100 Ca 0.11 0.72 -0.14 0.00 -0.02 0.00 0.00 57.16 57.83 1q23 n GLU 100 Cb 0.43 -5.68 -0.10 0.00 -0.02 0.00 0.00 31.44 26.06 1q23 n GLU 100 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1q23 s THR 101 N -3.33 0.49 0.25 2.62 -4.23 -1.20 -4.98 115.64 105.25 1q23 s THR 101 Ca 0.57 -1.99 0.03 0.00 -1.18 0.00 0.00 61.69 59.12 1q23 s THR 101 Cb -0.27 -2.40 -0.05 0.00 1.34 0.00 0.00 72.50 71.12 1q23 s THR 101 CO 0.78 -0.20 0.04 0.72 -0.54 0.00 0.00 174.62 175.42 1q23 s PHE 102 N -3.80 1.58 0.16 3.99 -0.12 -1.26 0.70 117.98 119.23 1q23 s PHE 102 Ca 0.32 -1.02 0.00 0.00 -0.05 0.00 0.00 56.93 56.19 1q23 s PHE 102 Cb 0.07 -0.94 -0.04 0.00 -0.63 0.00 0.00 43.02 41.48 1q23 s PHE 102 CO 0.09 -0.14 0.04 -1.12 -0.05 0.00 0.00 175.22 174.04 1q23 s SER 103 N -3.32 0.68 -0.25 1.98 0.01 -0.79 -4.77 113.70 107.24 1q23 s SER 103 Ca 0.32 -1.21 -0.03 0.00 1.31 0.00 0.00 55.95 56.33 1q23 s SER 103 Cb 0.07 0.23 0.01 0.00 0.21 0.00 0.00 66.02 66.54 1q23 s SER 103 CO 0.11 -0.68 -0.02 -0.44 0.41 0.00 0.00 173.24 172.62 1q23 s SER 104 N -3.11 4.49 -0.08 2.44 0.01 0.75 0.32 113.70 118.51 1q23 s SER 104 Ca 0.25 -0.69 0.01 0.00 1.31 0.00 0.00 55.95 56.83 1q23 s SER 104 Cb 0.07 -1.73 -0.03 0.00 0.21 0.00 0.00 66.02 64.54 1q23 s SER 104 CO 0.04 -0.11 -0.09 -0.76 0.41 0.00 0.00 173.24 172.73 1q23 s LEU 105 N 1.41 3.05 0.07 2.44 1.43 -0.06 -4.19 118.68 122.82 1q23 s LEU 105 Ca 0.02 -0.10 0.01 0.00 -1.03 0.00 0.00 54.13 53.03 1q23 s LEU 105 Cb -0.16 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 1q23 s LEU 105 CO -0.03 0.31 0.17 -1.66 0.23 0.00 0.00 176.35 175.38 1q23 s TRP 106 N -0.51 3.41 -0.01 0.29 1.48 -1.26 -0.53 118.94 121.81 1q23 s TRP 106 Ca 0.07 0.19 0.01 0.00 -1.06 0.00 0.00 56.10 55.31 1q23 s TRP 106 Cb -0.12 -1.71 0.00 0.00 -1.16 0.00 0.00 33.47 30.49 1q23 s TRP 106 CO 0.02 0.57 -0.01 -1.12 -4.06 0.00 0.00 176.95 172.34 1q23 s SER 107 N -2.50 0.25 0.44 -2.66 0.01 -0.44 -4.98 113.70 103.82 1q23 s SER 107 Ca 0.33 -0.03 -0.22 0.00 1.31 0.00 0.00 55.95 57.34 1q23 s SER 107 Cb -0.13 -0.06 -0.09 0.00 0.21 0.00 0.00 66.02 65.95 1q23 s SER 107 CO 0.26 -0.00 1.01 -0.70 0.41 0.00 0.00 173.24 174.22 1q23 s GLU 108 N 0.17 4.08 0.12 12.44 2.12 -1.26 -3.93 118.70 132.44 1q23 s GLU 108 Ca -0.01 1.32 -0.22 0.00 0.36 0.00 0.00 54.97 56.42 1q23 s GLU 108 Cb -0.03 -2.28 -0.07 0.00 0.26 0.00 0.00 34.13 32.00 1q23 s GLU 108 CO -0.00 -0.19 0.67 -0.47 -0.54 0.00 0.00 175.26 174.73 1q23 s TYR 109 N -1.93 3.86 0.00 5.30 5.04 -1.26 -4.86 117.35 123.49 1q23 s TYR 109 Ca 0.62 1.45 0.03 0.00 -2.44 0.00 0.00 57.07 56.72 1q23 s TYR 109 Cb -0.16 -2.63 -0.01 0.00 0.35 0.00 0.00 41.96 39.52 1q23 s TYR 109 CO 0.20 0.55 -0.08 -1.01 -1.34 0.00 0.00 175.55 173.87 1q23 s HIS 110 N -1.13 0.73 0.31 4.97 3.76 -1.26 -5.02 115.29 117.65 1q23 s HIS 110 Ca 0.32 -0.19 0.08 0.00 -0.15 0.00 0.00 55.06 55.12 1q23 s HIS 110 Cb -0.21 -0.46 0.90 0.00 1.11 0.00 0.00 32.58 33.92 1q23 s HIS 110 CO 0.22 -0.01 1.48 -0.25 -0.85 0.00 0.00 174.74 175.33 1q23 n ASP 111 N 2.66 0.03 -4.67 1.40 8.00 -1.26 -4.50 116.55 118.21 1q23 n ASP 111 Ca -0.15 1.59 -0.43 0.00 0.71 0.00 0.00 54.79 56.52 1q23 n ASP 111 Cb 0.57 -0.64 -0.02 0.00 -0.02 0.00 0.00 41.12 41.00 1q23 n ASP 111 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1q23 s ASP 112 N -4.86 7.13 0.20 -2.24 -1.08 -1.26 -5.00 116.67 109.57 1q23 s ASP 112 Ca -0.11 1.41 -0.10 0.00 -0.52 0.00 0.00 52.55 53.23 1q23 s ASP 112 Cb 0.29 -2.54 0.26 0.00 -1.46 0.00 0.00 42.92 39.47 1q23 s ASP 112 CO 0.74 -0.59 1.72 0.15 0.52 0.00 0.00 175.17 177.71 1q23 h PHE 113 N 7.34 0.28 -0.27 -5.34 3.57 -2.00 -1.89 116.94 118.63 1q23 h PHE 113 Ca -0.23 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.16 1q23 h PHE 113 Cb 1.09 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.78 1q23 h PHE 113 CO 0.74 0.03 -0.39 0.00 -2.23 0.00 0.00 178.31 176.46 1q23 h ARG 114 N 0.32 0.64 0.18 1.11 2.47 -1.94 0.32 114.38 117.47 1q23 h ARG 114 Ca 0.30 -0.33 -0.00 0.00 -1.26 0.00 0.00 59.98 58.69 1q23 h ARG 114 Cb 0.40 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.71 1q23 h ARG 114 CO -0.34 0.93 -0.27 0.37 0.56 0.00 0.00 179.97 181.22 1q23 h GLN 115 N 0.53 -0.45 -0.94 0.04 5.75 -1.89 -2.74 115.11 115.41 1q23 h GLN 115 Ca 0.05 0.03 0.28 0.00 -0.15 0.00 0.00 58.65 58.85 1q23 h GLN 115 Cb 0.91 0.10 -0.16 0.00 1.07 0.00 0.00 27.48 29.40 1q23 h GLN 115 CO 0.08 -0.30 0.21 0.35 -2.65 0.00 0.00 178.83 176.52 1q23 h PHE 116 N -0.47 0.28 -0.64 3.99 3.57 -0.59 -2.16 116.94 120.93 1q23 h PHE 116 Ca -0.02 0.06 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 1q23 h PHE 116 Cb 0.43 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 1q23 h PHE 116 CO -0.25 -0.33 0.17 1.25 -2.23 0.00 0.00 178.31 176.91 1q23 h LEU 117 N 0.10 0.96 -0.27 0.59 6.46 -0.20 0.14 115.31 123.09 1q23 h LEU 117 Ca 0.61 -0.23 0.05 0.00 -0.12 0.00 0.00 57.88 58.19 1q23 h LEU 117 Cb 1.33 -0.25 -0.04 0.00 -0.73 0.00 0.00 40.66 40.97 1q23 h LEU 117 CO -0.77 0.93 0.01 0.45 -0.62 0.00 0.00 178.44 178.44 1q23 h HIS 118 N 0.93 -0.00 -0.16 1.25 3.86 -1.10 -0.03 115.15 119.90 1q23 h HIS 118 Ca 0.20 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.41 1q23 h HIS 118 Cb 0.34 0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.85 1q23 h HIS 118 CO 0.03 -0.04 0.00 0.82 0.86 0.00 0.00 177.93 179.60 1q23 h ILE 119 N 0.09 1.25 -0.22 2.45 2.04 -1.26 -0.92 117.51 120.94 1q23 h ILE 119 Ca 0.13 -0.82 0.06 0.00 1.00 0.00 0.00 64.86 65.23 1q23 h ILE 119 Cb 0.17 1.48 -0.06 0.00 -0.74 0.00 0.00 36.82 37.67 1q23 h ILE 119 CO -0.21 0.24 -0.17 0.22 0.00 0.00 0.00 178.15 178.23 1q23 h TYR 120 N 0.03 -0.42 -0.25 1.37 3.20 -0.64 0.23 116.97 120.48 1q23 h TYR 120 Ca 0.05 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.83 1q23 h TYR 120 Cb 0.36 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.84 1q23 h TYR 120 CO 0.03 -0.24 -0.34 0.77 -1.64 0.00 0.00 178.16 176.75 1q23 h SER 121 N -0.16 0.56 0.39 -2.11 0.02 -0.92 0.57 113.55 111.90 1q23 h SER 121 Ca 0.13 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 1q23 h SER 121 Cb 0.36 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 1q23 h SER 121 CO -0.32 0.86 -0.28 -0.61 -1.14 0.00 0.00 176.83 175.34 1q23 h GLN 122 N 0.46 -0.63 -0.78 3.45 4.15 -0.94 0.58 115.11 121.39 1q23 h GLN 122 Ca 0.05 0.04 0.14 0.00 0.77 0.00 0.00 58.65 59.65 1q23 h GLN 122 Cb 0.81 0.14 -0.09 0.00 0.21 0.00 0.00 27.48 28.55 1q23 h GLN 122 CO 0.07 -0.42 0.36 -0.44 -1.93 0.00 0.00 178.83 176.46 1q23 h ASP 123 N -0.66 0.40 -0.16 -0.69 3.32 -0.36 0.56 116.42 118.84 1q23 h ASP 123 Ca -0.04 0.10 -0.13 0.00 0.02 0.00 0.00 57.03 56.98 1q23 h ASP 123 Cb 0.56 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.15 1q23 h ASP 123 CO 0.01 0.17 -0.41 0.58 -1.72 0.00 0.00 179.24 177.87 1q23 h VAL 124 N 0.53 1.35 0.21 -1.35 2.07 0.43 0.32 116.25 119.81 1q23 h VAL 124 Ca 0.42 -1.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.25 1q23 h VAL 124 Cb 0.60 2.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 1q23 h VAL 124 CO -0.37 0.51 -0.10 0.00 0.02 0.00 0.00 177.57 177.63 1q23 h ALA 125 N 0.55 -0.29 -0.28 1.67 0.00 0.66 0.29 119.26 121.86 1q23 h ALA 125 Ca -0.01 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1q23 h ALA 125 Cb 1.03 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1q23 h ALA 125 CO 0.09 -0.66 0.02 0.00 0.00 0.00 0.00 179.25 178.70 1q23 n TYR 127 N -4.62 0.00 0.09 0.00 4.01 0.11 -4.76 117.16 111.99 1q23 n TYR 127 Ca -0.03 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.76 1q23 n TYR 127 Cb 0.23 0.00 0.28 0.00 -0.31 0.00 0.00 39.34 39.54 1q23 n TYR 127 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1q23 n GLY 128 N 1.00 -0.69 0.00 2.72 0.00 0.10 -1.63 105.19 106.69 1q23 n GLY 128 Ca 0.03 0.09 0.06 0.00 0.00 0.00 0.00 46.02 46.20 1q23 n GLY 128 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1q23 n GLU 129 N -1.85 2.50 -2.36 1.61 4.07 -1.26 -4.94 120.64 118.40 1q23 n GLU 129 Ca -0.01 -0.02 -0.42 0.00 -0.06 0.00 0.00 57.16 56.66 1q23 n GLU 129 Cb 0.02 -1.13 -0.03 0.00 -0.06 0.00 0.00 31.44 30.25 1q23 n GLU 129 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 1q23 s ASN 130 N -2.37 7.01 0.00 4.31 3.84 -0.65 -4.93 114.94 122.15 1q23 s ASN 130 Ca 0.03 2.06 0.24 0.00 0.21 0.00 0.00 52.86 55.41 1q23 s ASN 130 Cb 0.09 -2.58 0.59 0.00 -0.55 0.00 0.00 41.25 38.81 1q23 s ASN 130 CO 0.52 -0.53 1.48 0.18 -2.79 0.00 0.00 177.10 175.96 1q23 n LEU 131 N 4.15 2.41 -4.71 3.21 4.77 -1.26 -4.84 117.00 120.73 1q23 n LEU 131 Ca 0.10 -0.90 -0.35 0.00 -0.03 0.00 0.00 56.01 54.82 1q23 n LEU 131 Cb 0.45 -0.07 0.10 0.00 -2.33 0.00 0.00 43.42 41.57 1q23 n LEU 131 CO 0.56 0.45 0.82 0.00 -1.33 0.00 0.00 177.39 177.89 1q23 n ALA 132 N 0.84 0.57 -0.07 -1.18 0.00 -1.26 -4.92 120.51 114.49 1q23 n ALA 132 Ca 0.17 -0.15 -0.09 0.00 0.00 0.00 0.00 53.44 53.36 1q23 n ALA 132 Cb 0.48 -2.28 -0.02 0.00 0.00 0.00 0.00 19.45 17.62 1q23 n ALA 132 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1q23 h TYR 133 N -0.12 0.35 -2.97 0.00 3.20 -1.92 -3.33 116.97 112.18 1q23 h TYR 133 Ca -0.49 0.00 -0.62 0.00 3.14 0.00 0.00 58.73 60.77 1q23 h TYR 133 Cb 1.32 -0.12 -0.41 0.00 1.54 0.00 0.00 36.73 39.07 1q23 h TYR 133 CO 0.43 0.25 -0.69 -0.06 -1.64 0.00 0.00 178.16 176.45 1q23 s PHE 134 N -6.05 2.76 0.33 -3.82 0.40 -1.26 -0.18 117.98 110.16 1q23 s PHE 134 Ca -0.13 -2.96 0.10 0.00 -0.60 0.00 0.00 56.93 53.34 1q23 s PHE 134 Cb 0.09 -2.23 0.98 0.00 0.51 0.00 0.00 43.02 42.36 1q23 s PHE 134 CO 0.71 -0.67 1.64 -1.35 0.70 0.00 0.00 175.22 176.25 1q23 h PRO 135 N 5.82 0.20 -0.64 0.24 0.11 -1.73 -0.36 132.00 135.65 1q23 h PRO 135 Ca 0.11 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 66.09 1q23 h PRO 135 Cb 0.83 -0.05 -0.07 0.00 0.11 0.00 0.00 31.00 31.82 1q23 h PRO 135 CO 0.61 0.14 0.15 1.63 -0.21 0.00 0.00 178.00 180.31 1q23 n LYS 136 N -5.18 4.06 0.00 1.05 5.02 -1.26 -5.06 118.16 116.79 1q23 n LYS 136 Ca 0.29 -3.11 0.00 0.00 -2.02 0.00 0.00 58.31 53.46 1q23 n LYS 136 Cb 0.91 -2.21 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 1q23 n LYS 136 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1q23 n GLY 137 N 0.07 1.01 3.16 0.72 0.00 -0.15 -4.88 105.19 105.13 1q23 n GLY 137 Ca 0.35 -0.61 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 1q23 n GLY 137 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1q23 s PHE 138 N 0.00 0.88 0.42 1.61 -0.12 -1.26 -4.81 117.98 114.70 1q23 s PHE 138 Ca 0.00 -1.08 0.05 0.00 -0.05 0.00 0.00 56.93 55.85 1q23 s PHE 138 Cb 0.00 -0.52 -0.06 0.00 -0.63 0.00 0.00 43.02 41.81 1q23 s PHE 138 CO 0.00 -0.34 0.03 0.96 -0.05 0.00 0.00 175.22 175.82 1q23 s ILE 139 N -3.84 1.55 -1.10 -4.49 -4.36 -1.26 -5.03 121.20 102.68 1q23 s ILE 139 Ca 0.18 -2.00 0.28 0.00 -0.26 0.00 0.00 60.65 58.85 1q23 s ILE 139 Cb 0.07 -2.73 0.20 0.00 1.25 0.00 0.00 42.46 41.25 1q23 s ILE 139 CO -0.02 0.00 1.75 -1.84 0.24 0.00 0.00 174.94 175.08 1q23 n GLU 140 N -0.97 0.10 -3.16 0.37 0.28 -1.26 -4.14 120.64 111.86 1q23 n GLU 140 Ca -0.08 -0.03 -0.22 0.00 -0.16 0.00 0.00 57.16 56.67 1q23 n GLU 140 Cb 0.67 -1.50 -0.05 0.00 1.43 0.00 0.00 31.44 31.99 1q23 n GLU 140 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1q23 n ASN 141 N -1.42 1.82 -4.64 -1.84 6.94 -1.26 -5.04 115.26 109.82 1q23 n ASN 141 Ca 0.08 -3.14 -0.25 0.00 -0.02 0.00 0.00 54.58 51.25 1q23 n ASN 141 Cb 0.33 -0.62 -0.08 0.00 -2.36 0.00 0.00 39.78 37.05 1q23 n ASN 141 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1q23 s MET 142 N -2.39 2.29 0.32 -3.83 1.00 -1.26 -1.55 119.30 113.87 1q23 s MET 142 Ca 0.41 -1.29 0.09 0.00 0.00 0.00 0.00 55.69 54.90 1q23 s MET 142 Cb 0.27 -2.22 -0.06 0.00 0.00 0.00 0.00 34.83 32.82 1q23 s MET 142 CO -0.09 0.41 -0.10 -0.59 0.00 0.00 0.00 175.02 174.64 1q23 s PHE 143 N -2.02 2.26 -0.07 -0.03 -0.12 -0.49 -4.79 117.98 112.73 1q23 s PHE 143 Ca 0.29 -0.52 0.03 0.00 -0.05 0.00 0.00 56.93 56.68 1q23 s PHE 143 Cb -0.08 -1.25 -0.02 0.00 -0.63 0.00 0.00 43.02 41.04 1q23 s PHE 143 CO 0.19 0.53 -0.17 -0.06 -0.05 0.00 0.00 175.22 175.66 1q23 s PHE 144 N -2.70 2.66 -0.09 3.49 0.40 -0.28 -0.73 117.98 120.72 1q23 s PHE 144 Ca 0.31 -0.38 0.02 0.00 -0.60 0.00 0.00 56.93 56.28 1q23 s PHE 144 Cb 0.02 -1.66 0.01 0.00 0.51 0.00 0.00 43.02 41.90 1q23 s PHE 144 CO 0.15 0.01 -0.15 0.08 0.70 0.00 0.00 175.22 176.02 1q23 s VAL 145 N -0.38 1.41 0.09 -0.44 1.01 -0.79 0.51 120.40 121.81 1q23 s VAL 145 Ca 0.04 -0.60 0.09 0.00 0.00 0.00 0.00 61.98 61.51 1q23 s VAL 145 Cb -0.12 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 1q23 s VAL 145 CO 0.02 0.42 -0.24 -0.94 0.00 0.00 0.00 175.10 174.36 1q23 s SER 146 N 0.87 2.95 -0.12 3.32 1.04 -0.10 -1.68 113.70 119.98 1q23 s SER 146 Ca -0.10 -0.66 -0.10 0.00 0.48 0.00 0.00 55.95 55.58 1q23 s SER 146 Cb -0.15 -0.22 -0.05 0.00 0.10 0.00 0.00 66.02 65.71 1q23 s SER 146 CO 0.01 0.17 0.20 0.00 0.98 0.00 0.00 173.24 174.59 1q23 s ALA 147 N -0.97 3.78 -0.59 5.32 0.00 -1.26 -0.96 121.76 127.07 1q23 s ALA 147 Ca 0.11 -0.57 0.06 0.00 0.00 0.00 0.00 51.96 51.56 1q23 s ALA 147 Cb -0.10 -2.12 0.22 0.00 0.00 0.00 0.00 23.12 21.12 1q23 s ALA 147 CO 0.04 0.44 0.59 -1.71 0.00 0.00 0.00 175.76 175.12 1q23 n ASN 148 N 2.47 2.44 0.00 0.00 4.05 0.20 -4.93 115.26 119.48 1q23 n ASN 148 Ca -0.17 -3.12 0.11 0.00 0.45 0.00 0.00 54.58 51.84 1q23 n ASN 148 Cb 0.54 -0.68 0.59 0.00 1.23 0.00 0.00 39.78 41.46 1q23 n ASN 148 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1q23 n PRO 149 N 1.51 0.49 0.05 1.20 -0.04 -1.26 -2.70 135.00 134.24 1q23 n PRO 149 Ca 0.26 0.05 -0.06 0.00 -0.04 0.00 0.00 63.50 63.70 1q23 n PRO 149 Cb 0.42 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.27 1q23 n PRO 149 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1q23 h TRP 150 N 0.00 0.00 -3.38 0.54 6.55 -1.94 -3.41 115.95 114.31 1q23 h TRP 150 Ca 0.00 0.00 -0.48 0.00 0.95 0.00 0.00 58.89 59.36 1q23 h TRP 150 Cb 0.10 0.00 -0.34 0.00 -0.86 0.00 0.00 29.16 28.06 1q23 h TRP 150 CO 0.00 0.93 -0.80 0.08 -1.05 0.00 0.00 178.44 177.60 1q23 s VAL 151 N -2.72 0.89 -1.18 1.49 1.01 -1.21 -4.92 120.40 113.77 1q23 s VAL 151 Ca -0.00 -0.30 -0.15 0.00 0.00 0.00 0.00 61.98 61.52 1q23 s VAL 151 Cb 0.09 -0.86 0.15 0.00 0.00 0.00 0.00 36.38 35.75 1q23 s VAL 151 CO 0.81 0.31 1.44 -0.44 0.00 0.00 0.00 175.10 177.22 1q23 s SER 152 N 0.98 6.96 0.38 3.32 0.01 -1.26 -1.03 113.70 123.06 1q23 s SER 152 Ca -0.09 -2.73 -0.18 0.00 1.31 0.00 0.00 55.95 54.26 1q23 s SER 152 Cb -0.15 -2.43 -0.10 0.00 0.21 0.00 0.00 66.02 63.55 1q23 s SER 152 CO 0.00 -0.88 0.85 0.72 0.41 0.00 0.00 173.24 174.34 1q23 s PHE 153 N 2.25 3.34 -0.73 2.43 -0.12 -1.26 -4.93 117.98 118.95 1q23 s PHE 153 Ca 0.43 1.42 0.23 0.00 -0.05 0.00 0.00 56.93 58.96 1q23 s PHE 153 Cb -0.02 -2.70 0.07 0.00 -0.63 0.00 0.00 43.02 39.74 1q23 s PHE 153 CO -0.00 -0.02 1.06 -2.37 -0.05 0.00 0.00 175.22 173.84 1q23 n THR 154 N -0.52 0.10 -3.74 -4.49 5.66 -1.26 -4.71 114.28 105.33 1q23 n THR 154 Ca 0.05 -0.16 -0.13 0.00 -3.05 0.00 0.00 64.05 60.76 1q23 n THR 154 Cb 0.54 0.35 -0.10 0.00 -1.55 0.00 0.00 70.33 69.57 1q23 n THR 154 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1q23 s SER 155 N -3.61 -0.42 -0.07 1.09 0.15 -1.26 -4.83 113.70 104.74 1q23 s SER 155 Ca 0.05 0.81 -0.02 0.00 0.70 0.00 0.00 55.95 57.50 1q23 s SER 155 Cb 0.15 0.82 0.03 0.00 -1.71 0.00 0.00 66.02 65.31 1q23 s SER 155 CO 0.80 -0.14 0.01 0.12 1.20 0.00 0.00 173.24 175.23 1q23 s PHE 156 N 0.23 0.58 -0.08 3.44 5.36 -1.26 -5.12 117.98 121.12 1q23 s PHE 156 Ca -0.00 -0.12 0.00 0.00 -0.96 0.00 0.00 56.93 55.85 1q23 s PHE 156 Cb -0.03 -0.76 0.02 0.00 -0.34 0.00 0.00 43.02 41.92 1q23 s PHE 156 CO 0.00 -0.32 -0.07 -0.51 -1.46 0.00 0.00 175.22 172.86 1q23 s ASP 157 N 2.00 1.80 -0.22 6.13 1.01 -1.26 -4.76 116.67 121.38 1q23 s ASP 157 Ca 0.05 -0.24 -0.10 0.00 0.71 0.00 0.00 52.55 52.97 1q23 s ASP 157 Cb -0.12 -0.72 -0.05 0.00 1.01 0.00 0.00 42.92 43.04 1q23 s ASP 157 CO -0.05 -0.08 0.13 -0.22 0.21 0.00 0.00 175.17 175.16 1q23 s LEU 158 N 1.37 4.10 -0.53 1.23 0.20 -1.26 -5.06 118.68 118.73 1q23 s LEU 158 Ca -0.02 0.15 0.01 0.00 0.69 0.00 0.00 54.13 54.95 1q23 s LEU 158 Cb -0.14 -2.08 0.14 0.00 -0.43 0.00 0.00 46.19 43.69 1q23 s LEU 158 CO -0.04 0.12 0.30 0.21 -0.29 0.00 0.00 176.35 176.66 1q23 s ASN 159 N 0.70 4.78 0.39 3.68 2.47 -1.26 -4.91 114.94 120.80 1q23 s ASN 159 Ca 0.07 -2.79 -0.25 0.00 0.42 0.00 0.00 52.86 50.31 1q23 s ASN 159 Cb -0.12 -1.74 -0.09 0.00 -1.45 0.00 0.00 41.25 37.85 1q23 s ASN 159 CO 0.01 -0.32 1.12 0.68 -3.72 0.00 0.00 177.10 174.87 1q23 s VAL 160 N 0.02 3.38 0.25 -5.21 -7.23 -1.26 -4.94 120.40 105.40 1q23 s VAL 160 Ca 0.16 1.14 0.01 0.00 -1.81 0.00 0.00 61.98 61.47 1q23 s VAL 160 Cb -0.23 -3.63 0.02 0.00 0.56 0.00 0.00 36.38 33.10 1q23 s VAL 160 CO -0.02 0.09 1.63 0.00 -0.31 0.00 0.00 175.10 176.49 1q23 h ALA 161 N 2.68 0.94 -3.23 1.32 0.00 -2.06 -3.42 119.26 115.49 1q23 h ALA 161 Ca -0.48 -0.42 -0.45 0.00 0.00 0.00 0.00 54.91 53.55 1q23 h ALA 161 Cb 1.23 -0.11 -0.39 0.00 0.00 0.00 0.00 17.79 18.52 1q23 h ALA 161 CO 0.63 0.62 -0.76 1.21 0.00 0.00 0.00 179.25 180.95 1q23 s ASN 162 N -6.85 2.04 0.00 0.00 3.84 -1.26 -4.98 114.94 107.73 1q23 s ASN 162 Ca -0.07 -0.37 0.08 0.00 0.21 0.00 0.00 52.86 52.71 1q23 s ASN 162 Cb 0.13 -0.40 0.14 0.00 -0.55 0.00 0.00 41.25 40.57 1q23 s ASN 162 CO 0.81 -0.26 0.97 1.15 -2.79 0.00 0.00 177.10 176.97 1q23 n MET 163 N 5.17 1.50 -1.57 0.43 0.00 -1.26 -4.86 117.12 116.52 1q23 n MET 163 Ca -0.07 -1.43 -0.56 0.00 0.00 0.00 0.00 57.70 55.64 1q23 n MET 163 Cb 0.49 -1.17 -0.07 0.00 0.00 0.00 0.00 33.22 32.47 1q23 n MET 163 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1q23 n ASP 164 N 0.35 1.06 -1.13 3.17 8.00 -1.26 0.39 116.55 127.13 1q23 n ASP 164 Ca 0.07 1.13 -0.08 0.00 0.71 0.00 0.00 54.79 56.62 1q23 n ASP 164 Cb 0.29 -1.07 -0.03 0.00 -0.02 0.00 0.00 41.12 40.29 1q23 n ASP 164 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1q23 n ASN 165 N 2.44 -2.27 -4.48 -2.24 3.02 -1.26 -4.87 115.26 105.60 1q23 n ASN 165 Ca 0.20 0.19 -0.43 0.00 -0.03 0.00 0.00 54.58 54.51 1q23 n ASN 165 Cb 0.13 -2.23 -0.03 0.00 -0.61 0.00 0.00 39.78 37.04 1q23 n ASN 165 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1q23 s PHE 166 N -1.60 2.87 -0.73 3.10 5.36 0.16 -4.71 117.98 122.44 1q23 s PHE 166 Ca 0.00 -1.05 0.12 0.00 -0.96 0.00 0.00 56.93 55.04 1q23 s PHE 166 Cb 0.00 -4.38 -0.09 0.00 -0.34 0.00 0.00 43.02 38.20 1q23 s PHE 166 CO 0.00 -1.64 0.57 1.19 -1.46 0.00 0.00 175.22 173.88 1q23 n PHE 167 N 7.38 0.00 -2.43 10.12 3.72 -1.26 -4.30 117.46 130.70 1q23 n PHE 167 Ca 0.19 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.17 1q23 n PHE 167 Cb 0.49 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.00 1q23 n PHE 167 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1q23 s ALA 168 N -1.95 3.49 0.45 4.37 0.00 -1.26 -4.75 121.76 122.11 1q23 s ALA 168 Ca 0.06 0.68 -0.25 0.00 0.00 0.00 0.00 51.96 52.45 1q23 s ALA 168 Cb 0.09 -3.52 -0.08 0.00 0.00 0.00 0.00 23.12 19.62 1q23 s ALA 168 CO 0.43 -0.74 1.40 -2.14 0.00 0.00 0.00 175.76 174.72 1q23 s PRO 169 N 2.09 3.67 -0.16 0.00 0.02 -1.26 -4.85 135.00 134.50 1q23 s PRO 169 Ca 0.57 2.36 0.01 0.00 0.02 0.00 0.00 61.00 63.96 1q23 s PRO 169 Cb -0.26 -2.62 0.02 0.00 0.02 0.00 0.00 34.50 31.66 1q23 s PRO 169 CO 0.23 -0.81 -0.18 0.08 -0.33 0.00 0.00 177.00 176.00 1q23 s VAL 170 N -1.22 1.83 -0.12 3.83 1.01 -0.86 -1.12 120.40 123.75 1q23 s VAL 170 Ca 0.62 -0.80 -0.02 0.00 0.00 0.00 0.00 61.98 61.77 1q23 s VAL 170 Cb -0.42 -1.67 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 1q23 s VAL 170 CO 0.54 0.50 -0.03 -0.36 0.00 0.00 0.00 175.10 175.76 1q23 s PHE 171 N 1.29 3.05 -0.13 5.22 0.40 0.18 -1.31 117.98 126.69 1q23 s PHE 171 Ca 0.03 -0.08 0.01 0.00 -0.60 0.00 0.00 56.93 56.28 1q23 s PHE 171 Cb -0.13 -1.87 0.02 0.00 0.51 0.00 0.00 43.02 41.55 1q23 s PHE 171 CO -0.10 0.19 -0.13 0.99 0.70 0.00 0.00 175.22 176.87 1q23 s THR 172 N -0.21 1.39 -0.15 0.64 2.01 -0.51 -0.92 115.64 117.90 1q23 s THR 172 Ca 0.04 -0.54 -0.15 0.00 0.31 0.00 0.00 61.69 61.36 1q23 s THR 172 Cb -0.13 -1.32 -0.05 0.00 0.01 0.00 0.00 72.50 71.02 1q23 s THR 172 CO 0.02 0.43 0.33 -0.04 -0.69 0.00 0.00 174.62 174.67 1q23 s MET 173 N 1.38 4.25 0.00 4.92 -1.94 -0.14 0.26 119.30 128.04 1q23 s MET 173 Ca 0.01 0.17 0.00 0.00 -1.71 0.00 0.00 55.69 54.17 1q23 s MET 173 Cb -0.13 -3.42 0.00 0.00 2.01 0.00 0.00 34.83 33.29 1q23 s MET 173 CO -0.07 0.24 0.00 0.41 -0.01 0.00 0.00 175.02 175.59 1q23 n GLY 174 N 3.30 2.36 3.68 -0.03 0.00 -0.61 0.61 105.19 114.50 1q23 n GLY 174 Ca -0.11 -2.13 -0.43 0.00 0.00 0.00 0.00 46.02 43.36 1q23 n GLY 174 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1q23 s LYS 175 N -1.30 4.38 0.61 1.61 2.20 -0.20 -4.52 119.74 122.52 1q23 s LYS 175 Ca 0.00 1.44 -0.14 0.00 -0.36 0.00 0.00 55.97 56.91 1q23 s LYS 175 Cb 0.00 -3.57 -0.03 0.00 -1.51 0.00 0.00 37.83 32.72 1q23 s LYS 175 CO 0.00 -0.40 1.05 1.52 -0.36 0.00 0.00 175.35 177.16 1q23 s TYR 176 N 2.29 3.10 0.20 4.03 -0.85 -1.26 -4.31 117.35 120.56 1q23 s TYR 176 Ca 0.49 1.47 -0.07 0.00 -0.52 0.00 0.00 57.07 58.45 1q23 s TYR 176 Cb -0.19 -2.94 -0.02 0.00 0.38 0.00 0.00 41.96 39.20 1q23 s TYR 176 CO 0.16 -1.03 0.28 1.52 -1.52 0.00 0.00 175.55 174.96 1q23 s TYR 177 N -2.66 0.69 -0.17 -3.49 -0.85 0.17 -4.96 117.35 106.08 1q23 s TYR 177 Ca 0.61 -1.00 -0.11 0.00 -0.52 0.00 0.00 57.07 56.06 1q23 s TYR 177 Cb -0.15 -0.18 -0.05 0.00 0.38 0.00 0.00 41.96 41.97 1q23 s TYR 177 CO 0.42 -0.77 0.17 0.99 -1.52 0.00 0.00 175.55 174.84 1q23 s THR 178 N -4.06 5.39 -0.31 -3.49 2.01 -1.26 -0.12 115.64 113.81 1q23 s THR 178 Ca 0.27 0.29 -0.02 0.00 0.31 0.00 0.00 61.69 62.54 1q23 s THR 178 Cb 0.04 -3.50 0.10 0.00 0.01 0.00 0.00 72.50 69.15 1q23 s THR 178 CO 0.07 0.46 0.12 -1.58 -0.69 0.00 0.00 174.62 173.00 1q23 s GLN 179 N 0.15 0.47 7.01 4.92 0.74 -1.11 -4.97 119.66 126.87 1q23 s GLN 179 Ca 0.11 -0.85 0.00 0.00 0.05 0.00 0.00 55.36 54.67 1q23 s GLN 179 Cb -0.12 -1.56 0.00 0.00 1.10 0.00 0.00 33.01 32.43 1q23 s GLN 179 CO 0.01 -1.02 0.00 0.41 -0.55 0.00 0.00 175.29 174.14 1q23 n GLY 180 N 4.96 2.52 0.00 2.59 0.00 -1.26 -2.54 105.19 111.47 1q23 n GLY 180 Ca -0.03 0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1q23 n GLY 180 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1q23 n ASP 181 N 10.10 0.81 -4.96 1.61 3.85 -1.26 -4.98 116.55 121.73 1q23 n ASP 181 Ca 0.00 -0.71 -0.22 0.00 -0.71 0.00 0.00 54.79 53.15 1q23 n ASP 181 Cb 0.00 0.70 -0.02 0.00 -1.35 0.00 0.00 41.12 40.46 1q23 n ASP 181 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 1q23 s LYS 182 N -3.00 3.46 -0.12 0.11 1.02 -1.05 -4.99 119.74 115.17 1q23 s LYS 182 Ca 0.09 -0.57 0.00 0.00 0.02 0.00 0.00 55.97 55.51 1q23 s LYS 182 Cb 0.17 -2.79 -0.02 0.00 -0.52 0.00 0.00 37.83 34.67 1q23 s LYS 182 CO 0.80 0.31 -0.12 0.08 -0.92 0.00 0.00 175.35 175.49 1q23 s VAL 183 N -2.13 3.13 0.13 3.17 1.01 -1.26 -2.74 120.40 121.72 1q23 s VAL 183 Ca 0.37 -0.64 0.11 0.00 0.00 0.00 0.00 61.98 61.81 1q23 s VAL 183 Cb -0.09 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 1q23 s VAL 183 CO 0.32 0.53 -0.26 -0.76 0.00 0.00 0.00 175.10 174.93 1q23 s LEU 184 N 0.18 2.34 -0.10 3.92 1.43 0.83 0.58 118.68 127.86 1q23 s LEU 184 Ca -0.07 -0.75 0.01 0.00 -1.03 0.00 0.00 54.13 52.30 1q23 s LEU 184 Cb -0.15 -1.23 0.02 0.00 0.03 0.00 0.00 46.19 44.85 1q23 s LEU 184 CO 0.05 0.18 -0.13 -0.32 0.23 0.00 0.00 176.35 176.35 1q23 s MET 185 N -2.09 2.02 0.41 1.70 1.75 -0.47 0.44 119.30 123.05 1q23 s MET 185 Ca 0.15 -0.49 -0.26 0.00 -1.25 0.00 0.00 55.69 53.84 1q23 s MET 185 Cb -0.10 -1.76 -0.08 0.00 2.84 0.00 0.00 34.83 35.72 1q23 s MET 185 CO 0.06 -0.08 1.28 -2.14 -0.65 0.00 0.00 175.02 173.48 1q23 s PRO 186 N 1.06 3.95 -0.06 4.11 0.02 -1.26 -0.00 135.00 142.82 1q23 s PRO 186 Ca -0.06 2.09 -0.02 0.00 0.02 0.00 0.00 61.00 63.03 1q23 s PRO 186 Cb -0.15 -2.72 0.04 0.00 0.02 0.00 0.00 34.50 31.69 1q23 s PRO 186 CO -0.02 -0.49 0.11 -1.17 -0.33 0.00 0.00 177.00 175.10 1q23 s LEU 187 N -2.49 0.47 0.26 -5.54 2.96 0.91 -1.58 118.68 113.68 1q23 s LEU 187 Ca 0.58 0.21 0.11 0.00 -0.22 0.00 0.00 54.13 54.81 1q23 s LEU 187 Cb -0.36 0.16 -0.05 0.00 0.50 0.00 0.00 46.19 46.43 1q23 s LEU 187 CO 0.47 -0.19 -0.11 0.00 -1.32 0.00 0.00 176.35 175.20 1q23 s ALA 188 N 1.64 2.94 -0.04 5.97 0.00 0.14 -1.23 121.76 131.19 1q23 s ALA 188 Ca -0.03 -1.75 -0.01 0.00 0.00 0.00 0.00 51.96 50.17 1q23 s ALA 188 Cb -0.12 -0.52 0.03 0.00 0.00 0.00 0.00 23.12 22.51 1q23 s ALA 188 CO -0.05 0.29 0.05 -1.50 0.00 0.00 0.00 175.76 174.56 1q23 s ILE 189 N -2.35 -0.10 -0.20 0.00 1.10 0.60 -1.42 121.20 118.83 1q23 s ILE 189 Ca 0.30 0.36 -0.05 0.00 -0.51 0.00 0.00 60.65 60.75 1q23 s ILE 189 Cb -0.06 -0.13 -0.02 0.00 0.15 0.00 0.00 42.46 42.40 1q23 s ILE 189 CO 0.17 0.15 -0.01 -1.58 -2.11 0.00 0.00 174.94 171.56 1q23 s GLN 190 N 1.82 3.58 0.22 3.50 -0.44 -0.43 -0.93 119.66 126.99 1q23 s GLN 190 Ca 0.00 -0.54 0.06 0.00 -2.50 0.00 0.00 55.36 52.39 1q23 s GLN 190 Cb -0.12 -3.06 -0.05 0.00 -1.64 0.00 0.00 33.01 28.13 1q23 s GLN 190 CO -0.03 -0.02 -0.09 0.14 0.50 0.00 0.00 175.29 175.79 1q23 s VAL 191 N 1.06 1.52 -0.07 1.34 -7.23 0.08 -2.02 120.40 115.08 1q23 s VAL 191 Ca 0.02 -2.14 -0.21 0.00 -1.81 0.00 0.00 61.98 57.84 1q23 s VAL 191 Cb -0.14 -2.18 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 1q23 s VAL 191 CO 0.01 -0.49 0.59 -2.28 -0.31 0.00 0.00 175.10 172.62 1q23 s HIS 192 N -3.10 3.58 0.54 2.82 2.46 -1.26 -1.90 115.29 118.42 1q23 s HIS 192 Ca 0.24 1.09 0.37 0.00 0.47 0.00 0.00 55.06 57.24 1q23 s HIS 192 Cb 0.02 -2.65 2.01 0.00 -0.13 0.00 0.00 32.58 31.83 1q23 s HIS 192 CO 0.08 0.19 2.25 1.25 -2.47 0.00 0.00 174.74 176.04 1q23 h HIS 193 N 6.46 0.00 -0.61 3.88 2.76 -1.05 -1.17 115.15 125.42 1q23 h HIS 193 Ca -0.42 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 57.71 1q23 h HIS 193 Cb 1.19 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.12 1q23 h HIS 193 CO 0.64 0.02 0.22 0.00 -1.30 0.00 0.00 177.93 177.51 1q23 h ALA 194 N 1.98 1.23 0.00 5.26 0.00 -1.80 -3.21 119.26 122.72 1q23 h ALA 194 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1q23 h ALA 194 Cb 0.12 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1q23 h ALA 194 CO 0.00 0.55 -1.25 1.33 0.00 0.00 0.00 179.25 179.88 1q23 n VAL 195 N -4.30 0.00 -4.10 0.00 0.24 -0.88 -4.52 118.33 104.76 1q23 n VAL 195 Ca 0.05 -0.26 -0.17 0.00 -2.04 0.00 0.00 64.34 61.93 1q23 n VAL 195 Cb 0.19 0.54 -0.15 0.00 -1.47 0.00 0.00 33.84 32.95 1q23 n VAL 195 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1q23 s ASP 197 N 0.28 4.71 0.38 0.00 -0.00 -1.26 -4.16 116.67 116.62 1q23 s ASP 197 Ca -0.03 -0.94 0.06 0.00 -0.00 0.00 0.00 52.55 51.64 1q23 s ASP 197 Cb -0.06 -0.48 0.77 0.00 -0.00 0.00 0.00 42.92 43.15 1q23 s ASP 197 CO -0.00 -0.62 2.00 1.23 -0.00 0.00 0.00 175.17 177.78 1q23 h GLY 198 N 1.22 0.80 0.33 0.21 0.00 -2.00 0.49 103.07 104.12 1q23 h GLY 198 Ca -0.42 -0.28 0.09 0.00 0.00 0.00 0.00 47.33 46.73 1q23 h GLY 198 CO 0.64 0.24 0.14 -2.75 0.00 0.00 0.00 176.54 174.81 1q23 h PHE 199 N 0.70 0.23 -0.37 5.60 3.04 -1.97 0.40 116.94 124.57 1q23 h PHE 199 Ca 0.24 0.03 -0.15 0.00 3.98 0.00 0.00 57.97 62.07 1q23 h PHE 199 Cb 0.09 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.58 1q23 h PHE 199 CO -0.00 0.02 -0.37 0.45 -2.02 0.00 0.00 178.31 176.39 1q23 h HIS 200 N 0.29 1.08 -0.52 0.41 -0.00 -1.30 0.10 115.15 115.20 1q23 h HIS 200 Ca 0.28 -0.32 -0.11 0.00 -0.00 0.00 0.00 60.37 60.21 1q23 h HIS 200 Cb 0.37 -0.23 -0.02 0.00 -0.00 0.00 0.00 27.41 27.54 1q23 h HIS 200 CO -0.21 1.14 -0.11 0.28 -0.00 0.00 0.00 177.93 179.02 1q23 h VAL 201 N 0.70 1.27 0.09 2.45 2.07 -1.18 -2.16 116.25 119.49 1q23 h VAL 201 Ca 0.06 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.32 1q23 h VAL 201 Cb 0.96 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 1q23 h VAL 201 CO 0.09 0.44 -0.17 1.23 0.02 0.00 0.00 177.57 179.18 1q23 h GLY 202 N 0.85 -1.09 0.08 2.17 0.00 0.05 0.13 103.07 105.26 1q23 h GLY 202 Ca 0.13 0.50 0.23 0.00 0.00 0.00 0.00 47.33 48.19 1q23 h GLY 202 CO 0.05 -0.36 0.63 -0.09 0.00 0.00 0.00 176.54 176.77 1q23 h ARG 203 N -0.28 0.45 -0.50 4.80 2.43 -1.09 -0.62 114.38 119.57 1q23 h ARG 203 Ca -0.01 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.03 1q23 h ARG 203 Cb 0.27 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1q23 h ARG 203 CO -0.07 0.30 -0.09 1.98 -1.51 0.00 0.00 179.97 180.58 1q23 h MET 204 N 0.47 0.91 -0.13 0.20 4.05 -0.65 -2.52 114.93 117.26 1q23 h MET 204 Ca 0.54 -0.31 -0.23 0.00 -0.28 0.00 0.00 59.70 59.42 1q23 h MET 204 Cb 1.27 -0.07 0.01 0.00 -0.80 0.00 0.00 31.60 32.01 1q23 h MET 204 CO -0.26 0.96 -0.82 -0.07 0.23 0.00 0.00 176.91 176.95 1q23 h LEU 205 N 0.82 0.93 -0.65 3.39 3.38 0.45 0.32 115.31 123.95 1q23 h LEU 205 Ca 0.13 -0.63 0.09 0.00 0.09 0.00 0.00 57.88 57.57 1q23 h LEU 205 Cb 0.62 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 41.02 1q23 h LEU 205 CO 0.04 1.43 0.28 0.78 0.09 0.00 0.00 178.44 181.06 1q23 h ASN 206 N 0.52 0.32 -0.27 -0.43 2.35 -1.25 -1.16 115.58 115.65 1q23 h ASN 206 Ca -0.06 0.07 -0.07 0.00 -0.55 0.00 0.00 56.30 55.69 1q23 h ASN 206 Cb 1.45 0.03 -0.02 0.00 0.05 0.00 0.00 38.32 39.83 1q23 h ASN 206 CO 0.17 0.19 -0.05 -0.33 -1.65 0.00 0.00 177.43 175.76 1q23 h GLU 207 N 0.48 0.64 -0.40 0.81 5.08 -1.26 -1.67 114.58 118.25 1q23 h GLU 207 Ca 0.32 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 1q23 h GLU 207 Cb 0.37 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1q23 h GLU 207 CO -0.29 0.69 0.16 1.25 -1.00 0.00 0.00 179.01 179.82 1q23 h LEU 208 N 0.59 0.55 0.48 1.33 5.85 -0.41 -0.57 115.31 123.13 1q23 h LEU 208 Ca 0.12 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 1q23 h LEU 208 Cb 0.45 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1q23 h LEU 208 CO 0.02 0.56 -0.23 -0.61 -0.34 0.00 0.00 178.44 177.85 1q23 h GLN 209 N 0.50 -0.62 -0.59 1.25 5.75 -0.88 -0.74 115.11 119.79 1q23 h GLN 209 Ca 0.13 0.04 0.11 0.00 -0.15 0.00 0.00 58.65 58.78 1q23 h GLN 209 Cb 0.18 0.14 -0.11 0.00 1.07 0.00 0.00 27.48 28.76 1q23 h GLN 209 CO -0.01 -0.41 -0.29 1.96 -2.65 0.00 0.00 178.83 177.43 1q23 h GLN 210 N -0.64 -0.13 -0.80 1.69 4.20 -1.20 -0.70 115.11 117.53 1q23 h GLN 210 Ca -0.07 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 1q23 h GLN 210 Cb 0.49 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.26 1q23 h GLN 210 CO 0.11 -0.08 0.41 1.88 -0.67 0.00 0.00 178.83 180.47 1q23 h TYR 211 N -0.13 1.11 -0.40 2.96 -1.99 -0.94 0.37 116.97 117.95 1q23 h TYR 211 Ca 0.25 -0.04 -0.05 0.00 2.00 0.00 0.00 58.73 60.89 1q23 h TYR 211 Cb 0.53 -0.35 -0.02 0.00 2.00 0.00 0.00 36.73 38.90 1q23 h TYR 211 CO -0.60 0.79 0.04 0.00 -0.00 0.00 0.00 178.16 178.39 1q23 h ASP 213 N 0.52 0.39 0.45 0.00 3.32 0.23 -3.12 116.42 118.22 1q23 h ASP 213 Ca 0.12 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1q23 h ASP 213 Cb 0.41 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1q23 h ASP 213 CO 0.01 0.46 -1.03 -0.62 -1.72 0.00 0.00 179.24 176.34 1q23 n GLU 214 N -4.31 0.30 -1.67 3.56 1.02 0.12 -4.75 120.64 114.91 1q23 n GLU 214 Ca 0.01 -0.00 -0.45 0.00 -0.02 0.00 0.00 57.16 56.70 1q23 n GLU 214 Cb 0.22 -1.60 -0.04 0.00 -0.02 0.00 0.00 31.44 30.01 1q23 n GLU 214 CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18 1q23 n TRP 215 N -1.99 2.45 1.22 -0.32 -0.00 -0.71 -4.86 117.44 113.23 1q23 n TRP 215 Ca 0.02 -0.19 0.12 0.00 -0.00 0.00 0.00 57.50 57.45 1q23 n TRP 215 Cb 0.44 -2.74 0.63 0.00 -0.00 0.00 0.00 31.31 29.65 1q23 n TRP 215 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 177.69 178.73 1q23 n GLN 216 N 6.89 0.42 -0.63 5.87 1.13 -1.26 -4.93 117.38 124.87 1q23 n GLN 216 Ca 0.21 0.05 0.00 0.00 -1.94 0.00 0.00 57.00 55.32 1q23 n GLN 216 Cb 0.36 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.21 1q23 n GLN 216 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03