#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k23 n ASP 2 N 0.00 -6.42 0.00 2.61 -0.08 -1.26 -4.87 116.55 106.54 2k23 n ASP 2 Ca 0.00 -0.67 0.00 0.00 -1.51 0.00 0.00 54.79 52.61 2k23 n ASP 2 Cb 0.00 -4.44 0.00 0.00 2.34 0.00 0.00 41.12 39.02 2k23 n ASP 2 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2k23 n SER 3 N -2.67 0.00 -4.20 1.67 2.88 -1.26 -4.98 113.62 105.06 2k23 n SER 3 Ca -0.08 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.05 2k23 n SER 3 Cb 0.59 0.01 -0.01 0.00 -0.75 0.00 0.00 64.21 64.05 2k23 n SER 3 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2k23 n THR 4 N -1.52 3.54 0.04 2.46 -1.04 -1.26 -4.66 114.28 111.83 2k23 n THR 4 Ca 0.00 -3.44 0.06 0.00 -2.04 0.00 0.00 64.05 58.62 2k23 n THR 4 Cb 0.00 -2.44 0.24 0.00 -1.82 0.00 0.00 70.33 66.31 2k23 n THR 4 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k23 n GLN 5 N 7.43 3.00 -4.75 -2.82 1.13 -1.26 -4.82 117.38 115.29 2k23 n GLN 5 Ca 0.50 -1.92 -0.26 0.00 -1.94 0.00 0.00 57.00 53.38 2k23 n GLN 5 Cb 0.43 -1.77 -0.16 0.00 0.11 0.00 0.00 30.24 28.85 2k23 n GLN 5 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2k23 s ASN 6 N -0.69 2.06 -0.12 1.08 0.01 -1.26 -5.12 114.94 110.90 2k23 s ASN 6 Ca 0.34 -0.35 -0.13 0.00 -0.71 0.00 0.00 52.86 52.02 2k23 s ASN 6 Cb 0.23 -0.80 -0.05 0.00 0.41 0.00 0.00 41.25 41.05 2k23 s ASN 6 CO 0.15 0.10 0.29 -1.48 -1.51 0.00 0.00 177.10 174.64 2k23 s LEU 7 N 0.37 4.31 0.84 0.60 0.05 -1.26 -5.00 118.68 118.59 2k23 s LEU 7 Ca -0.11 0.58 -0.12 0.00 0.05 0.00 0.00 54.13 54.54 2k23 s LEU 7 Cb -0.14 -2.36 0.10 0.00 -2.05 0.00 0.00 46.19 41.74 2k23 s LEU 7 CO 0.04 0.20 1.15 -0.63 -0.55 0.00 0.00 176.35 176.56 2k23 s ILE 8 N -0.10 2.18 -0.21 1.48 1.01 -1.26 -4.84 121.20 119.47 2k23 s ILE 8 Ca 0.17 0.06 -0.02 0.00 0.00 0.00 0.00 60.65 60.87 2k23 s ILE 8 Cb -0.13 -2.94 -0.07 0.00 0.01 0.00 0.00 42.46 39.32 2k23 s ILE 8 CO 0.06 -0.08 0.61 -2.65 0.00 0.00 0.00 174.94 172.88 2k23 n PRO 9 N -3.48 0.00 -2.91 2.79 -0.02 -1.26 -4.82 135.00 125.31 2k23 n PRO 9 Ca 0.07 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.12 2k23 n PRO 9 Cb 0.60 -0.37 -0.04 0.00 -0.02 0.00 0.00 33.50 33.66 2k23 n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k23 s ALA 10 N 0.00 3.18 0.22 3.55 0.00 -1.26 -4.72 121.76 122.72 2k23 s ALA 10 Ca 0.27 -1.68 -0.23 0.00 0.00 0.00 0.00 51.96 50.32 2k23 s ALA 10 Cb -0.18 -3.74 -0.08 0.00 0.00 0.00 0.00 23.12 19.12 2k23 s ALA 10 CO 0.12 -2.54 0.79 -1.25 0.00 0.00 0.00 175.76 172.88 2k23 s PRO 11 N 3.77 4.46 0.85 0.00 0.05 -1.26 -5.07 135.00 137.79 2k23 s PRO 11 Ca 0.23 1.09 -0.12 0.00 0.05 0.00 0.00 61.00 62.25 2k23 s PRO 11 Cb -0.16 -3.03 0.10 0.00 0.05 0.00 0.00 34.50 31.46 2k23 s PRO 11 CO 0.13 0.45 1.11 -2.14 0.05 0.00 0.00 177.00 176.59 2k23 s PRO 12 N -1.63 1.67 0.37 0.56 0.02 -1.26 -4.92 135.00 129.82 2k23 s PRO 12 Ca 0.41 0.56 0.18 0.00 0.02 0.00 0.00 61.00 62.17 2k23 s PRO 12 Cb -0.20 -1.88 1.13 0.00 0.02 0.00 0.00 34.50 33.57 2k23 s PRO 12 CO 0.24 -1.89 1.69 1.25 -0.33 0.00 0.00 177.00 177.97 2k23 h LEU 13 N -1.28 0.47 0.00 -5.54 7.12 -1.94 -0.22 115.31 113.92 2k23 h LEU 13 Ca -0.49 0.14 0.00 0.00 0.13 0.00 0.00 57.88 57.67 2k23 h LEU 13 Cb 1.29 0.09 0.00 0.00 -0.53 0.00 0.00 40.66 41.51 2k23 h LEU 13 CO 0.59 -0.05 0.00 2.30 -0.13 0.00 0.00 178.44 181.15 2k23 n ILE 14 N -4.84 0.62 0.19 4.05 -5.35 -1.26 -0.58 119.36 112.19 2k23 n ILE 14 Ca 0.30 0.16 0.12 0.00 -0.27 0.00 0.00 62.75 63.06 2k23 n ILE 14 Cb 1.01 -0.92 0.07 0.00 -1.74 0.00 0.00 39.64 38.05 2k23 n ILE 14 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 2k23 h SER 15 N 0.00 0.00 -3.31 7.28 0.02 -1.38 -3.46 113.55 112.70 2k23 h SER 15 Ca 0.00 -0.02 -0.64 0.00 -0.84 0.00 0.00 61.79 60.29 2k23 h SER 15 Cb 0.13 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 62.47 2k23 h SER 15 CO 0.00 0.01 -0.65 0.54 -1.14 0.00 0.00 176.83 175.59 2k23 s VAL 16 N -3.30 4.06 0.93 2.27 0.11 0.26 -5.03 120.40 119.70 2k23 s VAL 16 Ca 0.02 -0.30 -0.13 0.00 -2.93 0.00 0.00 61.98 58.64 2k23 s VAL 16 Cb 0.09 -2.78 0.15 0.00 -1.53 0.00 0.00 36.38 32.31 2k23 s VAL 16 CO 0.75 0.50 1.15 -2.16 -3.33 0.00 0.00 175.10 172.01 2k23 s PRO 17 N 0.24 0.99 0.18 1.54 0.04 -1.26 -4.99 135.00 131.74 2k23 s PRO 17 Ca -0.02 0.22 0.09 0.00 0.04 0.00 0.00 61.00 61.33 2k23 s PRO 17 Cb -0.14 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 2k23 s PRO 17 CO 0.02 -2.28 -0.12 -1.17 0.04 0.00 0.00 177.00 173.49 2k23 s LEU 18 N -6.06 2.88 -0.13 -3.56 0.20 -1.26 -3.92 118.68 106.82 2k23 s LEU 18 Ca 0.65 -0.62 -0.29 0.00 0.69 0.00 0.00 54.13 54.56 2k23 s LEU 18 Cb -0.14 -1.58 -0.06 0.00 -0.43 0.00 0.00 46.19 43.99 2k23 s LEU 18 CO 0.53 0.11 1.99 -1.58 -0.29 0.00 0.00 176.35 177.11 2k23 s GLN 19 N -2.78 3.63 0.00 1.98 -0.44 -0.94 -4.84 119.66 116.27 2k23 s GLN 19 Ca 0.24 2.14 0.11 0.00 -2.50 0.00 0.00 55.36 55.35 2k23 s GLN 19 Cb -0.09 -4.22 0.65 0.00 -1.64 0.00 0.00 33.01 27.71 2k23 s GLN 19 CO 0.14 -1.53 1.08 -2.30 0.50 0.00 0.00 175.29 173.19 2k23 n PRO 20 N 8.09 0.48 -2.81 1.67 -0.02 -1.26 -2.67 135.00 138.48 2k23 n PRO 20 Ca 0.24 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.61 2k23 n PRO 20 Cb 0.44 -1.36 0.04 0.00 -0.02 0.00 0.00 33.50 32.60 2k23 n PRO 20 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2k23 n GLY 21 N -0.04 1.94 3.72 -1.23 0.00 -1.26 -5.12 105.19 103.21 2k23 n GLY 21 Ca 0.08 -1.06 -0.41 0.00 0.00 0.00 0.00 46.02 44.63 2k23 n GLY 21 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2k23 s PHE 22 N -2.03 3.76 0.02 1.61 5.36 -1.09 -5.04 117.98 120.57 2k23 s PHE 22 Ca 0.29 1.74 0.02 0.00 -0.96 0.00 0.00 56.93 58.02 2k23 s PHE 22 Cb 0.40 -3.05 -0.01 0.00 -0.34 0.00 0.00 43.02 40.02 2k23 s PHE 22 CO -0.02 0.15 -0.07 -0.46 -1.46 0.00 0.00 175.22 173.35 2k23 s TRP 23 N 0.29 0.64 0.14 10.12 -0.11 -1.26 -5.06 118.94 123.70 2k23 s TRP 23 Ca 0.48 -0.30 -0.21 0.00 1.22 0.00 0.00 56.10 57.29 2k23 s TRP 23 Cb -0.22 -0.39 0.01 0.00 -1.50 0.00 0.00 33.47 31.36 2k23 s TRP 23 CO 0.29 -0.04 1.67 1.79 -4.62 0.00 0.00 176.95 176.04 2k23 h THR 24 N 4.74 0.60 0.00 5.86 1.35 -1.97 -2.69 112.91 120.80 2k23 h THR 24 Ca -0.32 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 2k23 h THR 24 Cb 1.19 0.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 2k23 h THR 24 CO 0.45 0.00 0.00 -0.08 -0.25 0.00 0.00 175.52 175.64 2k23 h GLU 25 N -0.13 0.00 -0.23 4.72 4.81 -1.97 -2.01 114.58 119.77 2k23 h GLU 25 Ca 0.12 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 2k23 h GLU 25 Cb 0.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.69 2k23 h GLU 25 CO -0.29 0.00 0.00 2.89 -0.73 0.00 0.00 179.01 180.88 2k23 n ARG 26 N -2.68 1.58 -1.68 1.92 1.85 -1.01 -2.96 116.66 113.67 2k23 n ARG 26 Ca 0.03 -0.90 -0.02 0.00 -1.00 0.00 0.00 57.85 55.96 2k23 n ARG 26 Cb 0.36 -1.23 0.08 0.00 -1.05 0.00 0.00 32.46 30.61 2k23 n ARG 26 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2k23 n PHE 27 N 0.20 0.87 -5.28 2.89 -0.00 -0.76 -4.56 117.46 110.82 2k23 n PHE 27 Ca 0.10 -1.51 -0.31 0.00 -0.00 0.00 0.00 57.45 55.73 2k23 n PHE 27 Cb 0.22 -0.23 -0.16 0.00 -0.00 0.00 0.00 39.48 39.31 2k23 n PHE 27 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.76 175.62 2k23 s GLN 28 N -2.50 2.31 0.00 -4.13 0.74 -1.16 -4.71 119.66 110.22 2k23 s GLN 28 Ca 0.37 -0.91 0.00 0.00 0.05 0.00 0.00 55.36 54.87 2k23 s GLN 28 Cb 0.37 -2.09 0.00 0.00 1.10 0.00 0.00 33.01 32.39 2k23 s GLN 28 CO -0.07 0.47 0.00 0.41 -0.55 0.00 0.00 175.29 175.55 2k23 n GLY 29 N 2.68 0.56 3.61 2.59 0.00 0.10 -4.95 105.19 109.78 2k23 n GLY 29 Ca -0.17 -2.19 -0.39 0.00 0.00 0.00 0.00 46.02 43.28 2k23 n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k23 s ARG 30 N -0.56 4.04 -0.14 1.61 3.00 -1.26 -1.29 118.95 124.34 2k23 s ARG 30 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 55.73 55.81 2k23 s ARG 30 Cb 0.00 -3.64 -0.01 0.00 0.00 0.00 0.00 34.95 31.30 2k23 s ARG 30 CO 0.00 -0.25 -0.15 -1.58 0.00 0.00 0.00 175.30 173.31 2k23 s TRP 31 N 2.00 2.77 0.16 -0.53 0.51 -0.99 -4.71 118.94 118.15 2k23 s TRP 31 Ca 0.16 -0.92 -0.09 0.00 -2.12 0.00 0.00 56.10 53.12 2k23 s TRP 31 Cb -0.16 -1.86 -0.06 0.00 -0.81 0.00 0.00 33.47 30.58 2k23 s TRP 31 CO 0.10 -0.39 0.47 -0.06 -0.51 0.00 0.00 176.95 176.56 2k23 s PHE 32 N 0.63 3.50 -0.32 -1.98 0.08 -0.16 -1.12 117.98 118.62 2k23 s PHE 32 Ca -0.08 0.80 -0.29 0.00 0.12 0.00 0.00 56.93 57.48 2k23 s PHE 32 Cb -0.16 -2.19 0.02 0.00 -0.57 0.00 0.00 43.02 40.12 2k23 s PHE 32 CO 0.03 0.39 1.07 0.08 -0.10 0.00 0.00 175.22 176.69 2k23 s VAL 33 N -1.62 4.51 -0.90 -0.44 1.01 -0.86 0.32 120.40 122.41 2k23 s VAL 33 Ca 0.41 1.72 0.10 0.00 0.00 0.00 0.00 61.98 64.21 2k23 s VAL 33 Cb -0.13 -4.41 0.25 0.00 0.00 0.00 0.00 36.38 32.09 2k23 s VAL 33 CO 0.21 -0.48 1.18 0.52 0.00 0.00 0.00 175.10 176.52 2k23 n VAL 34 N 5.87 0.86 0.00 2.92 0.31 0.25 -4.68 118.33 123.88 2k23 n VAL 34 Ca 0.12 -0.93 0.00 0.00 -0.01 0.00 0.00 64.34 63.52 2k23 n VAL 34 Cb 0.47 0.60 0.00 0.00 -0.91 0.00 0.00 33.84 34.00 2k23 n VAL 34 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2k23 n GLY 35 N 0.45 1.17 3.32 2.92 0.00 -0.84 -4.20 105.19 108.00 2k23 n GLY 35 Ca 0.10 -0.70 -0.12 0.00 0.00 0.00 0.00 46.02 45.30 2k23 n GLY 35 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2k23 s LEU 36 N 0.00 0.08 0.07 0.99 2.96 -0.86 -0.48 118.68 121.44 2k23 s LEU 36 Ca 0.00 0.91 0.03 0.00 -0.22 0.00 0.00 54.13 54.85 2k23 s LEU 36 Cb 0.00 1.46 -0.03 0.00 0.50 0.00 0.00 46.19 48.12 2k23 s LEU 36 CO 0.00 -0.17 -0.08 0.00 -1.32 0.00 0.00 176.35 174.77 2k23 s ALA 37 N 0.84 0.86 0.00 5.97 0.00 0.16 -0.03 121.76 129.56 2k23 s ALA 37 Ca -0.05 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 50.85 2k23 s ALA 37 Cb -0.06 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.13 2k23 s ALA 37 CO -0.06 -0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.02 2k23 n GLY 38 N 0.76 4.37 0.23 0.00 0.00 0.13 0.76 105.19 111.46 2k23 n GLY 38 Ca -0.18 -1.05 0.12 0.00 0.00 0.00 0.00 46.02 44.92 2k23 n GLY 38 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2k23 h ASN 39 N 0.00 0.00 0.01 1.61 -1.24 -1.70 -0.54 115.58 113.72 2k23 h ASN 39 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2k23 h ASN 39 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 2k23 h ASN 39 CO 0.00 0.13 -0.02 0.00 -1.29 0.00 0.00 177.43 176.26 2k23 n ALA 40 N -2.16 2.63 -2.44 1.57 0.00 -1.22 -4.81 120.51 114.08 2k23 n ALA 40 Ca 0.01 -0.39 -0.42 0.00 0.00 0.00 0.00 53.44 52.64 2k23 n ALA 40 Cb 0.43 -1.24 -0.03 0.00 0.00 0.00 0.00 19.45 18.62 2k23 n ALA 40 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2k23 s VAL 41 N -2.04 4.15 -1.21 0.00 1.01 -0.21 -4.94 120.40 117.17 2k23 s VAL 41 Ca 0.39 1.52 -0.21 0.00 0.00 0.00 0.00 61.98 63.68 2k23 s VAL 41 Cb 0.21 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 2k23 s VAL 41 CO 0.35 0.05 1.88 0.00 0.00 0.00 0.00 175.10 177.38 2k23 n GLN 42 N 4.67 2.18 -3.36 2.72 6.02 -1.26 -4.83 117.38 123.53 2k23 n GLN 42 Ca 0.10 -2.71 -0.44 0.00 -0.01 0.00 0.00 57.00 53.94 2k23 n GLN 42 Cb 0.46 -3.59 -0.00 0.00 1.02 0.00 0.00 30.24 28.13 2k23 n GLN 42 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2k23 n LYS 43 N 8.16 3.50 0.36 -1.09 0.00 -1.26 -3.65 118.16 124.17 2k23 n LYS 43 Ca 0.47 -4.46 -0.16 0.00 0.00 0.00 0.00 58.31 54.16 2k23 n LYS 43 Cb 0.46 -2.54 -0.08 0.00 0.00 0.00 0.00 35.03 32.87 2k23 n LYS 43 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 2k23 h GLU 44 N 6.57 -0.89 0.00 1.64 4.11 -1.88 -3.44 114.58 120.70 2k23 h GLU 44 Ca 0.18 0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.67 2k23 h GLU 44 Cb 0.86 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2k23 h GLU 44 CO 1.01 -0.56 0.00 -2.13 0.07 0.00 0.00 179.01 177.40 2k23 n ARG 45 N -5.42 0.00 0.00 1.06 0.63 -1.26 -5.06 116.66 106.61 2k23 n ARG 45 Ca -0.13 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.80 2k23 n ARG 45 Cb 0.38 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.29 2k23 n ARG 45 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2k23 n GLN 46 N -1.08 0.00 -3.06 -0.14 0.00 -1.26 -5.08 117.38 106.75 2k23 n GLN 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.00 2k23 n GLN 46 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 30.24 30.24 2k23 n GLN 46 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 2k23 s SER 47 N -0.02 -1.36 0.38 2.61 0.01 -1.26 -4.70 113.70 109.36 2k23 s SER 47 Ca 0.00 -0.88 0.17 0.00 1.31 0.00 0.00 55.95 56.55 2k23 s SER 47 Cb 0.00 1.75 0.73 0.00 0.21 0.00 0.00 66.02 68.70 2k23 s SER 47 CO 0.00 -0.13 1.77 -0.09 0.41 0.00 0.00 173.24 175.20 2k23 h ARG 48 N 6.37 0.00 -7.32 12.44 9.65 -1.96 -3.44 114.38 130.12 2k23 h ARG 48 Ca 0.04 0.00 -0.50 0.00 -1.10 0.00 0.00 59.98 58.42 2k23 h ARG 48 Cb 1.17 0.00 0.14 0.00 -1.39 0.00 0.00 29.97 29.89 2k23 h ARG 48 CO 0.06 0.38 0.28 0.12 2.80 0.00 0.00 179.97 183.61 2k23 s PHE 49 N -3.77 2.42 -0.15 2.20 5.36 -1.26 -5.07 117.98 117.71 2k23 s PHE 49 Ca -0.01 1.44 -0.20 0.00 -0.96 0.00 0.00 56.93 57.20 2k23 s PHE 49 Cb 0.12 -3.11 0.05 0.00 -0.34 0.00 0.00 43.02 39.74 2k23 s PHE 49 CO 0.69 -2.11 0.53 0.99 -1.46 0.00 0.00 175.22 173.86 2k23 s THR 50 N -2.90 0.01 0.41 0.12 2.01 -1.26 -4.39 115.64 109.64 2k23 s THR 50 Ca 0.62 -0.07 -0.25 0.00 0.31 0.00 0.00 61.69 62.30 2k23 s THR 50 Cb -0.18 -0.77 -0.08 0.00 0.01 0.00 0.00 72.50 71.48 2k23 s THR 50 CO 0.57 -0.04 1.26 0.00 -0.69 0.00 0.00 174.62 175.71 2k23 s MET 51 N -0.18 3.94 0.34 4.92 0.23 -0.94 -4.85 119.30 122.76 2k23 s MET 51 Ca -0.04 2.04 0.04 0.00 -1.03 0.00 0.00 55.69 56.70 2k23 s MET 51 Cb -0.03 -2.69 -0.03 0.00 -1.53 0.00 0.00 34.83 30.54 2k23 s MET 51 CO 0.03 -0.48 0.16 1.52 -2.03 0.00 0.00 175.02 174.22 2k23 s TYR 52 N -1.32 1.69 -0.20 3.16 -0.85 -1.26 -4.68 117.35 113.88 2k23 s TYR 52 Ca 0.58 -1.36 -0.06 0.00 -0.52 0.00 0.00 57.07 55.71 2k23 s TYR 52 Cb -0.35 -0.94 -0.03 0.00 0.38 0.00 0.00 41.96 41.02 2k23 s TYR 52 CO 0.45 -0.48 0.02 -1.12 -1.52 0.00 0.00 175.55 172.90 2k23 s SER 53 N -3.44 5.00 -0.52 -0.18 0.01 -1.26 -2.03 113.70 111.27 2k23 s SER 53 Ca 0.33 -0.15 -0.17 0.00 1.31 0.00 0.00 55.95 57.27 2k23 s SER 53 Cb 0.04 -1.86 0.09 0.00 0.21 0.00 0.00 66.02 64.50 2k23 s SER 53 CO 0.18 0.08 0.54 -0.89 0.41 0.00 0.00 173.24 173.56 2k23 s THR 54 N 0.94 5.05 -0.58 1.44 2.01 -0.27 -3.25 115.64 120.98 2k23 s THR 54 Ca 0.02 -1.02 -0.10 0.00 0.31 0.00 0.00 61.69 60.90 2k23 s THR 54 Cb -0.14 -4.30 0.15 0.00 0.01 0.00 0.00 72.50 68.22 2k23 s THR 54 CO 0.02 -0.82 0.47 -0.63 -0.69 0.00 0.00 174.62 172.96 2k23 s ILE 55 N 2.09 4.53 -0.39 1.82 1.01 -0.97 -2.33 121.20 126.95 2k23 s ILE 55 Ca 0.08 -2.10 -0.24 0.00 0.00 0.00 0.00 60.65 58.40 2k23 s ILE 55 Cb -0.24 -3.92 0.02 0.00 0.01 0.00 0.00 42.46 38.32 2k23 s ILE 55 CO 0.07 -0.86 0.82 -0.31 0.00 0.00 0.00 174.94 174.66 2k23 s TYR 56 N 0.90 3.06 -0.15 3.97 2.02 -0.41 -0.32 117.35 126.42 2k23 s TYR 56 Ca 0.10 0.48 -0.01 0.00 -0.37 0.00 0.00 57.07 57.27 2k23 s TYR 56 Cb -0.22 -3.55 -0.01 0.00 -0.40 0.00 0.00 41.96 37.77 2k23 s TYR 56 CO -0.02 -0.84 -0.12 -2.00 -1.57 0.00 0.00 175.55 171.00 2k23 s GLU 57 N 3.27 3.36 0.35 -0.62 2.56 -0.92 0.00 118.70 126.71 2k23 s GLU 57 Ca 0.33 -0.68 -0.27 0.00 0.00 0.00 0.00 54.97 54.35 2k23 s GLU 57 Cb -0.12 -2.71 -0.09 0.00 2.00 0.00 0.00 34.13 33.21 2k23 s GLU 57 CO 0.19 0.10 1.14 -0.51 -0.56 0.00 0.00 175.26 175.63 2k23 s LEU 58 N 0.64 4.32 0.00 2.70 1.43 -1.26 0.30 118.68 126.81 2k23 s LEU 58 Ca -0.06 2.30 0.03 0.00 -1.03 0.00 0.00 54.13 55.37 2k23 s LEU 58 Cb -0.15 -3.89 0.03 0.00 0.03 0.00 0.00 46.19 42.21 2k23 s LEU 58 CO 0.03 -0.46 0.22 0.00 0.23 0.00 0.00 176.35 176.36 2k23 n GLN 59 N 0.48 1.05 -0.13 1.70 1.13 -0.67 -4.85 117.38 116.08 2k23 n GLN 59 Ca 0.02 -1.98 0.14 0.00 -1.94 0.00 0.00 57.00 53.24 2k23 n GLN 59 Cb 0.46 0.24 0.50 0.00 0.11 0.00 0.00 30.24 31.54 2k23 n GLN 59 CO 0.00 0.00 0.00 1.05 -1.44 0.00 0.00 177.06 176.67 2k23 h GLU 60 N 0.00 0.42 -1.14 -1.09 4.11 -1.97 -2.78 114.58 112.12 2k23 h GLU 60 Ca -0.20 -0.03 -0.55 0.00 0.07 0.00 0.00 59.36 58.65 2k23 h GLU 60 Cb 0.73 -0.09 -0.42 0.00 0.50 0.00 0.00 28.75 29.46 2k23 h GLU 60 CO 0.32 0.28 -0.80 -3.47 0.07 0.00 0.00 179.01 175.40 2k23 n ASP 61 N -4.47 4.52 -0.99 3.06 2.03 -1.26 -4.93 116.55 114.51 2k23 n ASP 61 Ca 0.12 -3.62 -0.07 0.00 0.52 0.00 0.00 54.79 51.74 2k23 n ASP 61 Cb 0.45 -0.42 -0.03 0.00 -0.72 0.00 0.00 41.12 40.40 2k23 n ASP 61 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2k23 n ASN 62 N -0.56 -2.52 -4.67 1.67 6.94 -1.05 -4.90 115.26 110.17 2k23 n ASN 62 Ca 0.38 0.18 -0.43 0.00 -0.02 0.00 0.00 54.58 54.70 2k23 n ASN 62 Cb 0.80 -2.32 -0.02 0.00 -2.36 0.00 0.00 39.78 35.87 2k23 n ASN 62 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 2k23 s SER 63 N -1.60 7.07 -0.06 0.53 0.01 -1.26 -4.24 113.70 114.15 2k23 s SER 63 Ca 0.00 1.53 -0.20 0.00 1.31 0.00 0.00 55.95 58.60 2k23 s SER 63 Cb 0.00 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.64 2k23 s SER 63 CO 0.00 -0.66 0.56 -0.31 0.41 0.00 0.00 173.24 173.24 2k23 s TYR 64 N 3.05 3.60 -0.64 2.43 2.02 0.24 -1.68 117.35 126.37 2k23 s TYR 64 Ca 0.49 1.08 -0.22 0.00 -0.37 0.00 0.00 57.07 58.05 2k23 s TYR 64 Cb -0.18 -2.61 0.07 0.00 -0.40 0.00 0.00 41.96 38.84 2k23 s TYR 64 CO 0.12 0.24 0.92 0.54 -1.57 0.00 0.00 175.55 175.80 2k23 s ASN 65 N 0.28 6.18 -0.20 2.29 4.22 0.15 0.11 114.94 127.96 2k23 s ASN 65 Ca 0.30 -1.04 -0.15 0.00 -2.14 0.00 0.00 52.86 49.83 2k23 s ASN 65 Cb -0.17 -2.40 -0.04 0.00 1.28 0.00 0.00 41.25 39.92 2k23 s ASN 65 CO 0.14 -1.38 0.38 -0.69 -2.04 0.00 0.00 177.10 173.52 2k23 s VAL 66 N 3.83 5.21 -0.61 3.54 1.01 0.21 -2.16 120.40 131.43 2k23 s VAL 66 Ca 0.21 0.67 -0.17 0.00 0.00 0.00 0.00 61.98 62.69 2k23 s VAL 66 Cb -0.18 -3.71 0.14 0.00 0.00 0.00 0.00 36.38 32.63 2k23 s VAL 66 CO 0.10 0.26 0.62 -0.89 0.00 0.00 0.00 175.10 175.20 2k23 s THR 67 N 1.24 5.14 0.19 3.92 2.01 0.57 -0.31 115.64 128.40 2k23 s THR 67 Ca 0.18 -1.50 -0.18 0.00 0.31 0.00 0.00 61.69 60.51 2k23 s THR 67 Cb -0.15 -4.42 -0.08 0.00 0.01 0.00 0.00 72.50 67.87 2k23 s THR 67 CO 0.08 -1.00 0.66 -0.44 -0.69 0.00 0.00 174.62 173.23 2k23 s SER 68 N 3.39 6.97 -0.11 3.53 0.01 -0.44 -2.30 113.70 124.75 2k23 s SER 68 Ca 0.09 1.29 0.03 0.00 1.31 0.00 0.00 55.95 58.67 2k23 s SER 68 Cb -0.24 -2.37 0.01 0.00 0.21 0.00 0.00 66.02 63.62 2k23 s SER 68 CO 0.02 0.06 -0.20 -0.51 0.41 0.00 0.00 173.24 173.01 2k23 s ILE 69 N -1.50 1.85 0.08 1.44 1.10 -1.20 0.10 121.20 123.07 2k23 s ILE 69 Ca 0.41 -0.88 0.04 0.00 -0.51 0.00 0.00 60.65 59.71 2k23 s ILE 69 Cb -0.16 -1.63 -0.03 0.00 0.15 0.00 0.00 42.46 40.78 2k23 s ILE 69 CO 0.20 0.51 -0.11 -0.76 -2.11 0.00 0.00 174.94 172.68 2k23 s LEU 70 N 0.65 2.35 -0.61 8.50 1.02 -0.27 -4.47 118.68 125.85 2k23 s LEU 70 Ca -0.12 -0.72 -0.21 0.00 0.02 0.00 0.00 54.13 53.10 2k23 s LEU 70 Cb -0.16 -0.32 0.08 0.00 0.02 0.00 0.00 46.19 45.80 2k23 s LEU 70 CO 0.03 -0.21 0.84 -0.69 0.02 0.00 0.00 176.35 176.34 2k23 s VAL 71 N -1.96 4.55 -0.05 -1.59 1.01 -1.26 -0.43 120.40 120.66 2k23 s VAL 71 Ca 0.01 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.53 2k23 s VAL 71 Cb -0.06 -4.56 -0.02 0.00 0.00 0.00 0.00 36.38 31.74 2k23 s VAL 71 CO 0.01 -1.24 -0.18 -0.13 0.00 0.00 0.00 175.10 173.55 2k23 s ARG 72 N 3.47 2.52 6.44 2.72 0.52 -0.47 -4.88 118.95 129.25 2k23 s ARG 72 Ca 0.19 -0.77 0.00 0.00 -0.52 0.00 0.00 55.73 54.63 2k23 s ARG 72 Cb -0.19 -2.31 0.00 0.00 0.52 0.00 0.00 34.95 32.98 2k23 s ARG 72 CO 0.10 0.54 0.00 0.41 0.02 0.00 0.00 175.30 176.37 2k23 n GLY 73 N 2.54 1.89 0.74 -3.53 0.00 -1.26 -2.18 105.19 103.39 2k23 n GLY 73 Ca -0.17 0.03 0.04 0.00 0.00 0.00 0.00 46.02 45.92 2k23 n GLY 73 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2k23 n GLN 74 N 2.84 0.59 0.00 1.61 1.13 -1.26 -5.07 117.38 117.22 2k23 n GLN 74 Ca 0.00 -2.11 0.00 0.00 -1.94 0.00 0.00 57.00 52.95 2k23 n GLN 74 Cb 0.00 -0.78 0.00 0.00 0.11 0.00 0.00 30.24 29.57 2k23 n GLN 74 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2k23 n GLY 75 N -0.37 4.64 3.52 1.08 0.00 -0.93 -5.16 105.19 107.96 2k23 n GLY 75 Ca 0.09 -1.10 -0.32 0.00 0.00 0.00 0.00 46.02 44.69 2k23 n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k23 s ARG 77 N -1.28 0.69 -0.03 0.00 3.52 0.43 -4.81 118.95 117.48 2k23 s ARG 77 Ca 0.15 0.93 -0.21 0.00 -0.13 0.00 0.00 55.73 56.47 2k23 s ARG 77 Cb -0.11 0.28 -0.05 0.00 -1.56 0.00 0.00 34.95 33.51 2k23 s ARG 77 CO 0.05 -0.11 0.62 0.71 -0.81 0.00 0.00 175.30 175.77 2k23 s TYR 78 N 0.70 3.64 -0.35 5.12 2.02 -1.26 -1.12 117.35 126.10 2k23 s TYR 78 Ca -0.03 1.20 -0.03 0.00 -0.37 0.00 0.00 57.07 57.84 2k23 s TYR 78 Cb -0.05 -2.66 0.07 0.00 -0.40 0.00 0.00 41.96 38.92 2k23 s TYR 78 CO -0.05 0.26 0.10 -0.46 -1.57 0.00 0.00 175.55 173.83 2k23 s TRP 79 N 0.14 3.40 -0.12 2.71 -0.11 0.28 -4.96 118.94 120.28 2k23 s TRP 79 Ca 0.33 -2.05 -0.11 0.00 1.22 0.00 0.00 56.10 55.49 2k23 s TRP 79 Cb -0.18 -2.59 -0.05 0.00 -1.50 0.00 0.00 33.47 29.15 2k23 s TRP 79 CO 0.17 -0.86 0.23 0.42 -4.62 0.00 0.00 176.95 172.28 2k23 s ILE 80 N 1.22 5.35 0.13 5.86 1.09 -1.26 -1.33 121.20 132.26 2k23 s ILE 80 Ca 0.01 0.41 0.03 0.00 -1.10 0.00 0.00 60.65 60.00 2k23 s ILE 80 Cb -0.21 -3.53 -0.01 0.00 -1.06 0.00 0.00 42.46 37.65 2k23 s ILE 80 CO -0.02 0.52 0.11 -2.11 -0.10 0.00 0.00 174.94 173.34 2k23 n ARG 81 N 2.65 0.24 -5.02 2.79 1.85 0.57 -4.94 116.66 114.79 2k23 n ARG 81 Ca -0.16 -1.32 -0.32 0.00 -1.00 0.00 0.00 57.85 55.04 2k23 n ARG 81 Cb 0.53 1.04 -0.16 0.00 -1.05 0.00 0.00 32.46 32.83 2k23 n ARG 81 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2k23 s THR 82 N -2.49 2.53 -0.20 8.89 2.01 -1.26 0.64 115.64 125.77 2k23 s THR 82 Ca 0.15 -0.86 -0.01 0.00 0.31 0.00 0.00 61.69 61.28 2k23 s THR 82 Cb 0.01 -2.01 0.01 0.00 0.01 0.00 0.00 72.50 70.52 2k23 s THR 82 CO 0.11 0.55 -0.13 -0.36 -0.69 0.00 0.00 174.62 174.10 2k23 s PHE 83 N 0.19 2.88 -0.07 4.92 0.08 0.12 0.61 117.98 126.70 2k23 s PHE 83 Ca -0.11 -1.36 0.04 0.00 0.12 0.00 0.00 56.93 55.62 2k23 s PHE 83 Cb -0.16 -2.01 -0.02 0.00 -0.57 0.00 0.00 43.02 40.27 2k23 s PHE 83 CO 0.06 -0.70 -0.19 0.14 -0.10 0.00 0.00 175.22 174.44 2k23 s VAL 84 N 1.37 2.63 0.05 -0.44 -7.23 0.12 0.79 120.40 117.68 2k23 s VAL 84 Ca 0.05 -0.86 -0.33 0.00 -1.81 0.00 0.00 61.98 59.03 2k23 s VAL 84 Cb -0.14 -2.02 -0.12 0.00 0.56 0.00 0.00 36.38 34.67 2k23 s VAL 84 CO -0.08 0.57 1.81 -2.65 -0.31 0.00 0.00 175.10 174.44 2k23 n PRO 85 N 2.85 2.46 0.00 4.82 -0.02 -1.26 -1.11 135.00 142.74 2k23 n PRO 85 Ca -0.17 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 2k23 n PRO 85 Cb 0.52 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 2k23 n PRO 85 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2k23 n SER 86 N 5.70 0.00 0.32 2.55 2.88 0.10 -4.75 113.62 120.42 2k23 n SER 86 Ca 0.20 0.00 0.19 0.00 -1.33 0.00 0.00 58.87 57.92 2k23 n SER 86 Cb 0.33 0.00 1.00 0.00 -0.75 0.00 0.00 64.21 64.80 2k23 n SER 86 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2k23 h SER 87 N 0.00 0.00 -4.19 -3.46 0.02 -1.94 -3.41 113.55 100.57 2k23 h SER 87 Ca 0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 2k23 h SER 87 Cb 0.00 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 62.32 2k23 h SER 87 CO 0.00 0.00 -0.08 0.00 -1.14 0.00 0.00 176.83 175.61 2k23 s ARG 88 N -4.04 0.68 -0.11 3.45 3.03 -1.26 -5.10 118.95 115.60 2k23 s ARG 88 Ca -0.04 0.57 -0.33 0.00 2.03 0.00 0.00 55.73 57.96 2k23 s ARG 88 Cb 0.11 0.33 -0.10 0.00 -1.03 0.00 0.00 34.95 34.25 2k23 s ARG 88 CO 0.33 -0.12 1.98 -2.30 -1.13 0.00 0.00 175.30 174.06 2k23 n PRO 89 N 2.37 2.19 0.00 3.89 -0.02 -1.26 -1.44 135.00 140.73 2k23 n PRO 89 Ca -0.15 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2k23 n PRO 89 Cb 0.56 -2.78 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 2k23 n PRO 89 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2k23 n GLY 90 N 4.81 3.79 3.67 -1.23 0.00 -1.26 -4.91 105.19 110.06 2k23 n GLY 90 Ca 0.25 -0.96 -0.43 0.00 0.00 0.00 0.00 46.02 44.88 2k23 n GLY 90 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k23 s GLN 91 N 0.00 4.31 -0.14 1.61 -0.21 -0.52 -3.24 119.66 121.46 2k23 s GLN 91 Ca 0.00 1.39 -0.00 0.00 0.02 0.00 0.00 55.36 56.77 2k23 s GLN 91 Cb 0.00 -3.62 -0.01 0.00 1.00 0.00 0.00 33.01 30.38 2k23 s GLN 91 CO 0.00 -0.54 -0.13 -0.06 -2.12 0.00 0.00 175.29 172.44 2k23 s PHE 92 N 2.84 2.81 0.48 0.91 0.08 0.15 0.02 117.98 125.27 2k23 s PHE 92 Ca 0.46 -0.75 0.02 0.00 0.12 0.00 0.00 56.93 56.78 2k23 s PHE 92 Cb -0.17 -1.87 -0.01 0.00 -0.57 0.00 0.00 43.02 40.40 2k23 s PHE 92 CO 0.10 -0.29 0.06 -0.08 -0.10 0.00 0.00 175.22 174.91 2k23 s THR 93 N 0.53 0.82 -0.11 0.64 -1.32 -0.27 -0.08 115.64 115.86 2k23 s THR 93 Ca -0.09 -2.00 -0.13 0.00 -1.21 0.00 0.00 61.69 58.26 2k23 s THR 93 Cb -0.16 -2.17 -0.05 0.00 -1.51 0.00 0.00 72.50 68.62 2k23 s THR 93 CO 0.04 0.00 0.32 -0.76 -2.21 0.00 0.00 174.62 172.01 2k23 s LEU 94 N -3.78 4.33 0.51 9.08 2.01 -1.26 0.12 118.68 129.69 2k23 s LEU 94 Ca 0.11 0.66 0.27 0.00 0.01 0.00 0.00 54.13 55.18 2k23 s LEU 94 Cb 0.01 -2.42 1.48 0.00 0.01 0.00 0.00 46.19 45.27 2k23 s LEU 94 CO 0.07 0.20 1.81 1.23 1.01 0.00 0.00 176.35 180.67 2k23 h GLY 95 N 5.88 0.00 -0.64 -3.19 0.00 -0.13 -1.18 103.07 103.81 2k23 h GLY 95 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2k23 h GLY 95 CO 0.69 0.00 -0.32 1.16 0.00 0.00 0.00 176.54 178.07 2k23 n ASN 96 N -2.58 0.82 0.21 0.19 6.94 -1.26 -4.77 115.26 114.81 2k23 n ASN 96 Ca -0.02 -2.37 0.10 0.00 -0.02 0.00 0.00 54.58 52.27 2k23 n ASN 96 Cb 0.22 -0.28 0.29 0.00 -2.36 0.00 0.00 39.78 37.65 2k23 n ASN 96 CO 0.00 0.00 0.00 -0.29 -1.03 0.00 0.00 177.26 175.94 2k23 h ILE 97 N 4.51 0.37 0.00 1.53 6.09 -1.55 -3.35 117.51 125.12 2k23 h ILE 97 Ca 0.00 -1.28 0.00 0.00 -1.37 0.00 0.00 64.86 62.21 2k23 h ILE 97 Cb 1.25 1.97 0.00 0.00 0.47 0.00 0.00 36.82 40.52 2k23 h ILE 97 CO 0.00 0.19 0.00 1.57 -3.07 0.00 0.00 178.15 176.84 2k23 n HIS 98 N -3.21 0.00 -0.73 2.19 -0.00 -1.26 0.16 115.22 112.37 2k23 n HIS 98 Ca 0.02 0.00 0.07 0.00 0.46 0.00 0.00 57.72 58.27 2k23 n HIS 98 Cb 0.52 0.00 0.18 0.00 -0.12 0.00 0.00 29.99 30.57 2k23 n HIS 98 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 2k23 n SER 99 N -0.74 3.08 -4.61 0.26 7.64 -1.26 -5.06 113.62 112.93 2k23 n SER 99 Ca 0.08 -2.71 -0.48 0.00 1.01 0.00 0.00 58.87 56.78 2k23 n SER 99 Cb 0.04 -0.39 -0.04 0.00 -1.01 0.00 0.00 64.21 62.81 2k23 n SER 99 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k23 n TYR 100 N -0.54 1.60 -0.07 1.43 0.18 0.12 -4.95 117.16 114.93 2k23 n TYR 100 Ca 0.15 0.59 -0.14 0.00 1.88 0.00 0.00 57.90 60.38 2k23 n TYR 100 Cb 0.66 -2.35 -0.13 0.00 -0.38 0.00 0.00 39.34 37.14 2k23 n TYR 100 CO 0.00 0.00 0.00 -1.00 -2.08 0.00 0.00 176.86 173.78 2k23 h PRO 101 N 3.85 0.00 0.00 -3.48 0.13 -1.97 -3.43 132.00 127.10 2k23 h PRO 101 Ca -0.44 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.65 2k23 h PRO 101 Cb 1.32 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 2k23 h PRO 101 CO 0.73 0.99 -1.48 0.94 -0.23 0.00 0.00 178.00 178.95 2k23 n GLN 102 N -4.60 0.78 -1.74 0.86 7.27 -1.26 -4.97 117.38 113.71 2k23 n GLN 102 Ca -0.11 -0.07 -0.43 0.00 0.07 0.00 0.00 57.00 56.46 2k23 n GLN 102 Cb 0.49 -1.23 -0.03 0.00 2.41 0.00 0.00 30.24 31.88 2k23 n GLN 102 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2k23 s ILE 103 N -2.58 3.17 0.05 1.69 1.01 -1.26 -2.26 121.20 121.03 2k23 s ILE 103 Ca -0.04 0.18 -0.23 0.00 0.00 0.00 0.00 60.65 60.57 2k23 s ILE 103 Cb 0.05 -3.20 -0.15 0.00 0.01 0.00 0.00 42.46 39.17 2k23 s ILE 103 CO 0.40 -0.11 1.53 1.56 0.00 0.00 0.00 174.94 178.32 2k23 h GLN 104 N 13.54 0.11 -1.80 2.79 1.08 -0.53 -3.47 115.11 126.84 2k23 h GLN 104 Ca -0.40 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 56.78 2k23 h GLN 104 Cb 1.22 -0.01 -0.21 0.00 -0.05 0.00 0.00 27.48 28.42 2k23 h GLN 104 CO 0.97 0.31 0.35 -1.12 -0.95 0.00 0.00 178.83 178.39 2k23 s SER 105 N -5.53 -0.53 -0.20 1.46 0.01 -1.24 -4.99 113.70 102.68 2k23 s SER 105 Ca -0.14 0.58 -0.02 0.00 1.31 0.00 0.00 55.95 57.68 2k23 s SER 105 Cb 0.05 0.44 0.06 0.00 0.21 0.00 0.00 66.02 66.78 2k23 s SER 105 CO 0.68 -0.48 0.02 -0.47 0.41 0.00 0.00 173.24 173.40 2k23 s TYR 106 N -1.14 1.28 -0.07 2.43 6.14 -1.26 -1.31 117.35 123.43 2k23 s TYR 106 Ca -0.07 -1.03 -0.03 0.00 0.64 0.00 0.00 57.07 56.58 2k23 s TYR 106 Cb -0.00 -1.14 0.04 0.00 0.42 0.00 0.00 41.96 41.28 2k23 s TYR 106 CO 0.06 -0.64 0.13 -0.51 0.64 0.00 0.00 175.55 175.23 2k23 s ASP 107 N 1.77 0.25 0.02 4.32 1.11 -0.77 -4.11 116.67 119.26 2k23 s ASP 107 Ca -0.02 0.27 0.03 0.00 0.18 0.00 0.00 52.55 53.02 2k23 s ASP 107 Cb -0.17 0.17 -0.03 0.00 1.07 0.00 0.00 42.92 43.96 2k23 s ASP 107 CO -0.08 -0.18 -0.06 0.68 1.18 0.00 0.00 175.17 176.71 2k23 s VAL 108 N 1.58 3.69 -0.14 -1.27 -7.23 0.88 -1.57 120.40 116.34 2k23 s VAL 108 Ca -0.04 -0.81 0.01 0.00 -1.81 0.00 0.00 61.98 59.33 2k23 s VAL 108 Cb -0.12 -2.62 0.02 0.00 0.56 0.00 0.00 36.38 34.21 2k23 s VAL 108 CO -0.05 0.35 -0.17 -1.10 -0.31 0.00 0.00 175.10 173.82 2k23 s GLN 109 N -1.54 2.49 -0.36 4.82 -1.52 0.17 0.30 119.66 124.02 2k23 s GLN 109 Ca 0.18 -0.65 -0.19 0.00 -1.95 0.00 0.00 55.36 52.75 2k23 s GLN 109 Cb -0.11 -2.15 0.00 0.00 -0.22 0.00 0.00 33.01 30.53 2k23 s GLN 109 CO 0.09 -0.13 0.56 0.54 -0.25 0.00 0.00 175.29 176.10 2k23 s VAL 110 N 1.17 4.96 0.23 1.09 0.11 -1.20 0.60 120.40 127.36 2k23 s VAL 110 Ca -0.01 0.39 -0.05 0.00 -2.93 0.00 0.00 61.98 59.38 2k23 s VAL 110 Cb -0.14 -4.02 0.10 0.00 -1.53 0.00 0.00 36.38 30.79 2k23 s VAL 110 CO -0.06 -0.28 1.72 0.00 -3.33 0.00 0.00 175.10 173.15 2k23 h ALA 111 N 8.49 1.00 -2.36 1.54 0.00 -0.38 -2.50 119.26 125.05 2k23 h ALA 111 Ca -0.27 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.31 2k23 h ALA 111 Cb 1.12 -0.22 -0.24 0.00 0.00 0.00 0.00 17.79 18.45 2k23 h ALA 111 CO 0.80 0.62 -0.16 0.34 0.00 0.00 0.00 179.25 180.85 2k23 s ASP 112 N -6.59 -0.70 -0.01 0.00 2.15 -1.20 -3.61 116.67 106.70 2k23 s ASP 112 Ca -0.11 1.17 0.01 0.00 0.43 0.00 0.00 52.55 54.06 2k23 s ASP 112 Cb 0.14 1.06 0.01 0.00 -0.30 0.00 0.00 42.92 43.83 2k23 s ASP 112 CO 0.83 -0.21 -0.04 0.28 -0.17 0.00 0.00 175.17 175.86 2k23 s THR 113 N 1.55 0.34 0.10 1.71 -1.32 -1.26 -1.18 115.64 115.58 2k23 s THR 113 Ca -0.10 -0.13 -0.01 0.00 -1.21 0.00 0.00 61.69 60.25 2k23 s THR 113 Cb -0.07 -0.33 -0.04 0.00 -1.51 0.00 0.00 72.50 70.55 2k23 s THR 113 CO -0.16 0.13 0.02 -0.62 -2.21 0.00 0.00 174.62 171.78 2k23 s ASP 114 N 0.26 0.38 0.25 8.08 2.15 -1.22 -5.01 116.67 121.56 2k23 s ASP 114 Ca -0.03 -1.11 0.09 0.00 0.43 0.00 0.00 52.55 51.93 2k23 s ASP 114 Cb -0.06 0.26 0.29 0.00 -0.30 0.00 0.00 42.92 43.11 2k23 s ASP 114 CO -0.00 -0.68 1.57 0.10 -0.17 0.00 0.00 175.17 175.99 2k23 h TYR 115 N 2.98 0.05 0.00 -5.34 -0.00 -1.93 -3.38 116.97 109.34 2k23 h TYR 115 Ca -0.35 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.73 58.36 2k23 h TYR 115 Cb 1.17 -0.01 -0.00 0.00 -0.00 0.00 0.00 36.73 37.90 2k23 h TYR 115 CO 0.47 0.68 -1.01 -3.47 -0.00 0.00 0.00 178.16 174.84 2k23 n ASP 116 N -3.77 3.97 -3.71 0.10 -0.08 -1.26 -4.97 116.55 106.83 2k23 n ASP 116 Ca -0.01 -0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 52.96 2k23 n ASP 116 Cb 0.65 -0.00 0.25 0.00 2.34 0.00 0.00 41.12 44.35 2k23 n ASP 116 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 2k23 s GLN 117 N -2.00 -1.34 0.42 -0.67 2.00 -1.26 -4.67 119.66 112.14 2k23 s GLN 117 Ca -0.00 -0.17 0.05 0.00 -2.00 0.00 0.00 55.36 53.23 2k23 s GLN 117 Cb 0.00 -1.59 0.07 0.00 0.80 0.00 0.00 33.01 32.29 2k23 s GLN 117 CO 0.00 -3.77 0.58 1.97 -0.50 0.00 0.00 175.29 173.58 2k23 n PHE 118 N -4.78 -2.67 -3.95 1.67 -1.74 -1.26 -4.17 117.46 100.56 2k23 n PHE 118 Ca 0.15 -1.37 -0.14 0.00 -0.56 0.00 0.00 57.45 55.52 2k23 n PHE 118 Cb 0.60 -0.41 -0.15 0.00 1.52 0.00 0.00 39.48 41.04 2k23 n PHE 118 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2k23 s ALA 119 N -2.63 0.19 -0.15 1.98 0.00 0.22 -3.39 121.76 117.98 2k23 s ALA 119 Ca 0.42 0.01 0.01 0.00 0.00 0.00 0.00 51.96 52.41 2k23 s ALA 119 Cb -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 22.97 2k23 s ALA 119 CO 0.27 0.00 -0.18 -1.64 0.00 0.00 0.00 175.76 174.22 2k23 s MET 120 N 0.30 3.14 0.02 0.00 -1.94 -0.32 -0.10 119.30 120.40 2k23 s MET 120 Ca -0.03 -0.79 0.06 0.00 -1.71 0.00 0.00 55.69 53.22 2k23 s MET 120 Cb -0.05 -2.56 -0.02 0.00 2.01 0.00 0.00 34.83 34.21 2k23 s MET 120 CO -0.01 -0.00 -0.17 0.08 -0.01 0.00 0.00 175.02 174.91 2k23 s VAL 121 N 0.84 1.34 -0.24 -6.03 1.01 -0.98 0.19 120.40 116.53 2k23 s VAL 121 Ca -0.05 -0.92 -0.08 0.00 0.00 0.00 0.00 61.98 60.93 2k23 s VAL 121 Cb -0.15 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.03 2k23 s VAL 121 CO -0.01 0.22 0.08 0.12 0.00 0.00 0.00 175.10 175.51 2k23 s PHE 122 N -0.63 3.13 -0.22 5.22 2.19 0.20 0.64 117.98 128.51 2k23 s PHE 122 Ca 0.05 -0.24 -0.06 0.00 0.33 0.00 0.00 56.93 57.01 2k23 s PHE 122 Cb -0.07 -2.22 -0.03 0.00 -1.31 0.00 0.00 43.02 39.39 2k23 s PHE 122 CO 0.01 -0.22 0.04 -0.06 1.83 0.00 0.00 175.22 176.82 2k23 s PHE 123 N 1.34 3.07 -0.29 10.12 0.40 0.19 0.42 117.98 133.22 2k23 s PHE 123 Ca 0.05 -0.42 -0.03 0.00 -0.60 0.00 0.00 56.93 55.93 2k23 s PHE 123 Cb -0.15 -2.16 0.03 0.00 0.51 0.00 0.00 43.02 41.26 2k23 s PHE 123 CO 0.04 -0.28 0.01 -1.14 0.70 0.00 0.00 175.22 174.56 2k23 s GLN 124 N 1.25 2.70 -0.21 0.44 0.74 -0.61 -1.41 119.66 122.55 2k23 s GLN 124 Ca 0.04 -1.10 0.02 0.00 0.05 0.00 0.00 55.36 54.37 2k23 s GLN 124 Cb -0.15 -3.21 0.04 0.00 1.10 0.00 0.00 33.01 30.79 2k23 s GLN 124 CO 0.02 -0.53 -0.16 0.21 -0.55 0.00 0.00 175.29 174.28 2k23 s LYS 125 N 1.34 2.70 -0.10 1.67 2.20 0.13 -1.84 119.74 125.83 2k23 s LYS 125 Ca -0.02 -1.03 -0.02 0.00 -0.36 0.00 0.00 55.97 54.54 2k23 s LYS 125 Cb -0.18 -2.70 -0.03 0.00 -1.51 0.00 0.00 37.83 33.41 2k23 s LYS 125 CO -0.01 -0.35 -0.01 0.99 -0.36 0.00 0.00 175.35 175.61 2k23 s THR 126 N 1.22 4.17 -0.19 3.43 2.01 -0.43 0.92 115.64 126.77 2k23 s THR 126 Ca -0.00 -0.29 -0.07 0.00 0.31 0.00 0.00 61.69 61.64 2k23 s THR 126 Cb -0.16 -2.77 0.09 0.00 0.01 0.00 0.00 72.50 69.67 2k23 s THR 126 CO -0.10 0.57 0.40 -0.44 -0.69 0.00 0.00 174.62 174.37 2k23 s SER 127 N -0.56 -0.21 -1.32 3.53 0.01 0.66 0.28 113.70 116.08 2k23 s SER 127 Ca 0.09 0.95 -0.04 0.00 1.31 0.00 0.00 55.95 58.26 2k23 s SER 127 Cb -0.12 1.28 0.02 0.00 0.21 0.00 0.00 66.02 67.40 2k23 s SER 127 CO 0.02 -0.23 0.94 1.21 0.41 0.00 0.00 173.24 175.59 2k23 n GLU 128 N 5.36 -6.19 -0.25 12.44 2.13 -0.96 -0.80 120.64 132.37 2k23 n GLU 128 Ca -0.09 0.73 0.00 0.00 0.66 0.00 0.00 57.16 58.46 2k23 n GLU 128 Cb 0.50 -5.59 0.00 0.00 0.27 0.00 0.00 31.44 26.61 2k23 n GLU 128 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2k23 n ASN 129 N -3.03 0.00 -4.62 4.31 5.03 -1.26 -4.95 115.26 110.74 2k23 n ASN 129 Ca -0.17 0.00 -0.40 0.00 0.87 0.00 0.00 54.58 54.88 2k23 n ASN 129 Cb 0.62 -0.88 -0.07 0.00 -1.02 0.00 0.00 39.78 38.43 2k23 n ASN 129 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2k23 s LYS 130 N -0.16 4.08 -0.15 3.52 -0.14 0.02 -5.04 119.74 121.87 2k23 s LYS 130 Ca 0.00 0.38 -0.16 0.00 -1.36 0.00 0.00 55.97 54.83 2k23 s LYS 130 Cb 0.00 -3.65 -0.04 0.00 -1.68 0.00 0.00 37.83 32.46 2k23 s LYS 130 CO 0.00 -0.36 0.39 -0.65 -0.76 0.00 0.00 175.35 173.97 2k23 s GLN 131 N 2.34 4.29 -0.17 1.68 -0.21 -1.26 -0.25 119.66 126.08 2k23 s GLN 131 Ca 0.22 0.27 0.00 0.00 0.02 0.00 0.00 55.36 55.87 2k23 s GLN 131 Cb -0.16 -3.44 0.01 0.00 1.00 0.00 0.00 33.01 30.42 2k23 s GLN 131 CO 0.09 0.17 -0.16 0.71 -2.12 0.00 0.00 175.29 173.98 2k23 s TYR 132 N 0.63 2.80 -0.07 0.91 1.51 0.26 -4.82 117.35 118.57 2k23 s TYR 132 Ca 0.21 -1.29 -0.06 0.00 -1.01 0.00 0.00 57.07 54.92 2k23 s TYR 132 Cb -0.14 -1.93 0.02 0.00 -0.11 0.00 0.00 41.96 39.80 2k23 s TYR 132 CO 0.07 -0.63 0.18 -0.59 -1.11 0.00 0.00 175.55 173.47 2k23 s PHE 133 N 1.11 -0.20 0.12 2.71 -0.71 -1.26 0.17 117.98 119.91 2k23 s PHE 133 Ca 0.00 0.50 -0.14 0.00 -1.04 0.00 0.00 56.93 56.25 2k23 s PHE 133 Cb -0.14 0.06 0.03 0.00 -1.21 0.00 0.00 43.02 41.75 2k23 s PHE 133 CO -0.06 -0.11 0.36 -1.59 -1.34 0.00 0.00 175.22 172.49 2k23 s LYS 134 N 0.21 1.05 -0.13 1.99 -2.85 -0.50 -2.49 119.74 117.01 2k23 s LYS 134 Ca -0.01 -0.79 0.03 0.00 -1.00 0.00 0.00 55.97 54.20 2k23 s LYS 134 Cb -0.02 0.44 0.01 0.00 -2.06 0.00 0.00 37.83 36.20 2k23 s LYS 134 CO -0.01 -0.40 -0.22 0.08 0.10 0.00 0.00 175.35 174.90 2k23 s VAL 135 N -3.83 2.06 0.25 1.79 1.01 0.23 0.55 120.40 122.46 2k23 s VAL 135 Ca 0.04 -0.98 0.07 0.00 0.00 0.00 0.00 61.98 61.11 2k23 s VAL 135 Cb 0.02 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 2k23 s VAL 135 CO -0.11 0.55 0.23 0.42 0.00 0.00 0.00 175.10 176.20 2k23 s THR 136 N 0.76 4.61 -0.25 3.92 -4.23 0.21 0.37 115.64 121.03 2k23 s THR 136 Ca -0.08 -1.31 0.02 0.00 -1.18 0.00 0.00 61.69 59.13 2k23 s THR 136 Cb -0.16 -3.50 0.06 0.00 1.34 0.00 0.00 72.50 70.24 2k23 s THR 136 CO -0.01 -0.34 -0.07 -0.22 -0.54 0.00 0.00 174.62 173.44 2k23 s LEU 137 N -3.88 2.97 0.04 4.79 1.98 0.37 -2.33 118.68 122.62 2k23 s LEU 137 Ca 0.33 -1.29 0.04 0.00 -2.89 0.00 0.00 54.13 50.32 2k23 s LEU 137 Cb -0.08 -1.34 -0.04 0.00 0.66 0.00 0.00 46.19 45.39 2k23 s LEU 137 CO 0.26 -0.22 -0.03 -0.31 -1.89 0.00 0.00 176.35 174.15 2k23 s TYR 138 N 1.27 2.94 0.12 5.38 2.02 0.86 0.88 117.35 130.81 2k23 s TYR 138 Ca -0.07 -0.02 0.06 0.00 -0.37 0.00 0.00 57.07 56.67 2k23 s TYR 138 Cb -0.19 -1.58 -0.04 0.00 -0.40 0.00 0.00 41.96 39.75 2k23 s TYR 138 CO -0.06 0.43 -0.15 0.20 -1.57 0.00 0.00 175.55 174.40 2k23 s GLY 139 N -1.83 1.10 0.00 0.71 0.00 0.15 -0.61 107.32 106.84 2k23 s GLY 139 Ca 0.21 -1.27 0.16 0.00 0.00 0.00 0.00 44.72 43.82 2k23 s GLY 139 CO 0.12 -1.32 1.51 -2.13 0.00 0.00 0.00 173.10 171.28 2k23 n ARG 140 N 0.64 0.06 -3.82 2.90 0.00 -1.26 -0.98 116.66 114.19 2k23 n ARG 140 Ca -0.16 0.20 -0.02 0.00 -0.00 0.00 0.00 57.85 57.87 2k23 n ARG 140 Cb 0.56 -1.50 0.01 0.00 0.00 0.00 0.00 32.46 31.53 2k23 n ARG 140 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 2k23 s THR 141 N -2.90 0.00 0.00 5.15 -1.32 -1.26 -4.86 115.64 110.45 2k23 s THR 141 Ca 0.10 -0.48 0.00 0.00 -1.21 0.00 0.00 61.69 60.09 2k23 s THR 141 Cb 0.11 -2.53 0.00 0.00 -1.51 0.00 0.00 72.50 68.57 2k23 s THR 141 CO 0.29 0.00 1.10 0.29 -2.21 0.00 0.00 174.62 174.09 2k23 n LYS 142 N -0.64 0.66 -2.77 7.08 4.76 -1.26 -4.07 118.16 121.92 2k23 n LYS 142 Ca -0.04 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.31 2k23 n LYS 142 Cb 0.60 -1.17 0.08 0.00 -1.84 0.00 0.00 35.03 32.71 2k23 n LYS 142 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k23 n GLY 143 N 1.33 1.25 3.57 0.72 0.00 -1.26 -5.10 105.19 105.69 2k23 n GLY 143 Ca 0.00 -0.32 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 2k23 n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k23 s LEU 144 N -2.66 3.63 0.60 0.99 2.01 -1.26 -5.05 118.68 116.94 2k23 s LEU 144 Ca 0.24 -0.02 -0.20 0.00 0.01 0.00 0.00 54.13 54.16 2k23 s LEU 144 Cb 0.35 -1.92 -0.03 0.00 0.01 0.00 0.00 46.19 44.59 2k23 s LEU 144 CO -0.06 0.12 1.30 -1.20 1.01 0.00 0.00 176.35 177.53 2k23 n SER 145 N 3.88 2.28 0.21 2.29 7.64 -1.26 -4.86 113.62 123.79 2k23 n SER 145 Ca -0.17 0.90 0.18 0.00 1.01 0.00 0.00 58.87 60.79 2k23 n SER 145 Cb 0.52 -1.56 0.84 0.00 -1.01 0.00 0.00 64.21 63.00 2k23 n SER 145 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2k23 h ASP 146 N 0.93 0.00 -0.23 6.43 3.58 -2.00 -2.00 116.42 123.13 2k23 h ASP 146 Ca -0.51 0.00 0.05 0.00 0.42 0.00 0.00 57.03 56.99 2k23 h ASP 146 Cb 1.33 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.33 2k23 h ASP 146 CO 0.55 0.00 -0.09 -0.08 -2.88 0.00 0.00 179.24 176.73 2k23 h GLU 147 N 0.00 -0.05 0.00 0.28 4.57 -2.00 -1.38 114.58 115.99 2k23 h GLU 147 Ca 0.09 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.14 2k23 h GLU 147 Cb 0.60 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.19 2k23 h GLU 147 CO -0.00 -0.03 -0.65 1.37 -1.18 0.00 0.00 179.01 178.51 2k23 h LEU 148 N -0.05 0.00 -0.15 1.64 8.10 -1.72 -2.86 115.31 120.27 2k23 h LEU 148 Ca 0.12 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 58.09 2k23 h LEU 148 Cb 0.23 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.45 2k23 h LEU 148 CO -0.27 0.65 -0.00 0.11 -4.11 0.00 0.00 178.44 174.82 2k23 h LYS 149 N 0.00 0.26 -0.44 0.17 1.57 -1.46 -2.53 116.57 114.14 2k23 h LYS 149 Ca -0.01 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2k23 h LYS 149 Cb 1.20 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.47 2k23 h LYS 149 CO 0.08 0.49 0.29 1.49 -0.57 0.00 0.00 179.45 181.24 2k23 h GLU 150 N 0.00 0.54 -0.55 3.15 4.22 -1.21 -0.26 114.58 120.48 2k23 h GLU 150 Ca 0.04 -0.03 -0.02 0.00 0.08 0.00 0.00 59.36 59.43 2k23 h GLU 150 Cb 0.37 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 2k23 h GLU 150 CO 0.01 0.36 0.25 0.00 -2.18 0.00 0.00 179.01 177.45 2k23 h ARG 151 N 0.56 0.78 -0.26 1.92 3.08 -1.25 -1.92 114.38 117.29 2k23 h ARG 151 Ca 0.17 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 60.07 2k23 h ARG 151 Cb -0.00 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 2k23 h ARG 151 CO -0.04 0.62 -0.02 0.27 -1.07 0.00 0.00 179.97 179.73 2k23 h PHE 152 N 0.78 0.52 -0.56 3.04 -5.15 -0.64 0.11 116.94 115.05 2k23 h PHE 152 Ca 0.19 -0.10 -0.00 0.00 -0.20 0.00 0.00 57.97 57.86 2k23 h PHE 152 Cb 0.11 -0.13 -0.03 0.00 0.22 0.00 0.00 35.95 36.12 2k23 h PHE 152 CO 0.01 0.65 0.33 -0.39 -2.00 0.00 0.00 178.31 176.91 2k23 h VAL 153 N 0.24 1.16 -0.57 0.88 -1.51 -1.27 0.51 116.25 115.69 2k23 h VAL 153 Ca 0.07 -0.36 -0.08 0.00 -1.23 0.00 0.00 66.70 65.11 2k23 h VAL 153 Cb 0.46 0.38 -0.02 0.00 -2.13 0.00 0.00 31.29 29.98 2k23 h VAL 153 CO 0.02 0.17 0.05 0.28 -1.23 0.00 0.00 177.57 176.86 2k23 h SER 154 N 0.76 0.95 0.12 4.19 0.02 -1.04 -2.17 113.55 116.39 2k23 h SER 154 Ca 0.20 -0.28 -0.09 0.00 -0.84 0.00 0.00 61.79 60.78 2k23 h SER 154 Cb -0.03 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.25 2k23 h SER 154 CO -0.04 0.99 -0.30 0.15 -1.14 0.00 0.00 176.83 176.50 2k23 h PHE 155 N 0.87 0.31 -0.97 3.45 3.57 0.38 -2.39 116.94 122.16 2k23 h PHE 155 Ca 0.17 -0.07 0.08 0.00 3.53 0.00 0.00 57.97 61.69 2k23 h PHE 155 Cb 0.47 -0.08 -0.07 0.00 2.79 0.00 0.00 35.95 39.07 2k23 h PHE 155 CO 0.03 0.55 0.62 0.00 -2.23 0.00 0.00 178.31 177.29 2k23 h ALA 156 N 1.45 1.48 0.00 2.41 0.00 0.58 -0.74 119.26 124.44 2k23 h ALA 156 Ca 0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2k23 h ALA 156 Cb 0.66 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2k23 h ALA 156 CO 0.05 0.34 -0.16 0.87 0.00 0.00 0.00 179.25 180.35 2k23 h LYS 157 N 1.07 0.00 0.00 0.00 1.79 -0.95 -2.63 116.57 115.85 2k23 h LYS 157 Ca 0.43 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.84 2k23 h LYS 157 Cb 0.27 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.91 2k23 h LYS 157 CO -0.19 0.16 -0.33 0.77 -1.08 0.00 0.00 179.45 178.79 2k23 h SER 158 N 0.00 0.00 1.23 0.86 0.02 -0.83 -0.98 113.55 113.85 2k23 h SER 158 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k23 h SER 158 Cb 0.94 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.48 2k23 h SER 158 CO 0.02 0.33 -0.26 0.18 -1.14 0.00 0.00 176.83 175.95 2k23 n LEU 159 N -4.01 0.78 0.00 5.07 7.99 -1.17 -4.92 117.00 120.74 2k23 n LEU 159 Ca -0.02 0.43 0.00 0.00 -0.01 0.00 0.00 56.01 56.41 2k23 n LEU 159 Cb 0.38 -0.26 0.00 0.00 -0.11 0.00 0.00 43.42 43.43 2k23 n LEU 159 CO 0.37 -0.13 0.00 0.61 -1.51 0.00 0.00 177.39 176.73 2k23 n GLY 160 N 1.32 1.48 3.95 -0.72 0.00 -0.37 -4.62 105.19 106.23 2k23 n GLY 160 Ca 0.05 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 2k23 n GLY 160 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k23 s LEU 161 N 0.00 3.58 0.19 0.99 1.43 -1.00 -4.59 118.68 119.28 2k23 s LEU 161 Ca 0.00 -0.53 0.10 0.00 -1.03 0.00 0.00 54.13 52.67 2k23 s LEU 161 Cb 0.00 -2.41 -0.04 0.00 0.03 0.00 0.00 46.19 43.76 2k23 s LEU 161 CO 0.00 -0.67 -0.21 -1.59 0.23 0.00 0.00 176.35 174.11 2k23 s LYS 162 N -4.23 1.41 0.61 1.70 -2.85 -1.26 -4.02 119.74 111.09 2k23 s LYS 162 Ca 0.51 -1.49 0.29 0.00 -1.00 0.00 0.00 55.97 54.27 2k23 s LYS 162 Cb -0.07 -1.56 1.52 0.00 -2.06 0.00 0.00 37.83 35.65 2k23 s LYS 162 CO 0.31 0.32 1.92 -0.44 0.10 0.00 0.00 175.35 177.55 2k23 h ASP 163 N 3.12 0.00 0.00 0.03 5.19 -1.94 0.19 116.42 123.01 2k23 h ASP 163 Ca -0.43 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.98 2k23 h ASP 163 Cb 1.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.72 2k23 h ASP 163 CO 0.51 0.00 0.00 0.59 -3.12 0.00 0.00 179.24 177.22 2k23 n ASN 164 N -3.55 0.00 -0.58 6.45 3.02 -1.26 -1.20 115.26 118.15 2k23 n ASN 164 Ca 0.05 -0.92 0.05 0.00 -0.03 0.00 0.00 54.58 53.73 2k23 n ASN 164 Cb 0.58 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.83 2k23 n ASN 164 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2k23 n ASN 165 N -0.92 1.26 -3.94 6.41 4.13 0.65 -4.68 115.26 118.17 2k23 n ASN 165 Ca 0.16 -2.72 -0.29 0.00 1.68 0.00 0.00 54.58 53.42 2k23 n ASN 165 Cb 0.07 -0.36 -0.16 0.00 -1.54 0.00 0.00 39.78 37.80 2k23 n ASN 165 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2k23 s ILE 166 N -1.53 1.31 0.39 2.41 1.01 -0.34 0.22 121.20 124.66 2k23 s ILE 166 Ca 0.24 -0.71 0.08 0.00 0.00 0.00 0.00 60.65 60.26 2k23 s ILE 166 Cb 0.23 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 41.26 2k23 s ILE 166 CO -0.04 0.20 0.29 0.68 0.00 0.00 0.00 174.94 176.07 2k23 s VAL 167 N 1.56 2.81 -0.01 2.92 -7.23 0.96 -4.90 120.40 116.50 2k23 s VAL 167 Ca 0.01 -1.46 0.05 0.00 -1.81 0.00 0.00 61.98 58.76 2k23 s VAL 167 Cb -0.15 -3.03 -0.03 0.00 0.56 0.00 0.00 36.38 33.73 2k23 s VAL 167 CO -0.08 -0.06 -0.14 -0.36 -0.31 0.00 0.00 175.10 174.15 2k23 s PHE 168 N -2.46 2.70 -0.42 2.82 0.08 -1.26 -2.03 117.98 117.42 2k23 s PHE 168 Ca 0.44 -0.16 -0.33 0.00 0.12 0.00 0.00 56.93 57.00 2k23 s PHE 168 Cb -0.02 -1.57 -0.11 0.00 -0.57 0.00 0.00 43.02 40.74 2k23 s PHE 168 CO 0.26 0.25 2.27 -1.13 -0.10 0.00 0.00 175.22 176.77 2k23 n SER 169 N 1.90 2.08 -4.69 1.36 3.41 -1.26 -4.87 113.62 111.55 2k23 n SER 169 Ca -0.16 0.24 -0.42 0.00 -0.26 0.00 0.00 58.87 58.26 2k23 n SER 169 Cb 0.52 -1.30 -0.03 0.00 -0.26 0.00 0.00 64.21 63.14 2k23 n SER 169 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2k23 s VAL 170 N 8.26 4.38 -0.51 -3.33 1.01 -1.26 -4.83 120.40 124.11 2k23 s VAL 170 Ca 1.10 1.69 -0.26 0.00 0.00 0.00 0.00 61.98 64.51 2k23 s VAL 170 Cb -0.75 -4.09 -0.07 0.00 0.00 0.00 0.00 36.38 31.46 2k23 s VAL 170 CO 0.45 0.01 2.42 -2.65 0.00 0.00 0.00 175.10 175.33 2k23 n PRO 171 N 5.04 1.01 -2.07 2.72 -0.02 -1.26 -2.22 135.00 138.20 2k23 n PRO 171 Ca 0.10 -0.07 -0.42 0.00 -2.02 0.00 0.00 63.50 61.09 2k23 n PRO 171 Cb 0.47 -3.48 -0.03 0.00 -0.02 0.00 0.00 33.50 30.44 2k23 n PRO 171 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2k23 s THR 172 N 12.48 3.01 -1.02 3.45 2.01 -1.26 -4.94 115.64 129.37 2k23 s THR 172 Ca 0.98 0.73 -0.14 0.00 0.31 0.00 0.00 61.69 63.57 2k23 s THR 172 Cb -0.17 -3.47 0.20 0.00 0.01 0.00 0.00 72.50 69.07 2k23 s THR 172 CO 0.25 0.06 1.12 1.51 -0.69 0.00 0.00 174.62 176.87 2k23 s ASP 173 N 1.09 6.94 0.00 3.53 -4.77 -1.26 -4.87 116.67 117.33 2k23 s ASP 173 Ca 0.66 -2.81 0.00 0.00 -3.30 0.00 0.00 52.55 47.10 2k23 s ASP 173 Cb -0.40 -2.31 0.00 0.00 -1.09 0.00 0.00 42.92 39.12 2k23 s ASP 173 CO 0.31 -0.68 0.00 1.67 0.70 0.00 0.00 175.17 177.17 2k23 n GLN 174 N 4.79 -0.33 -1.74 2.11 -0.06 -1.26 -5.12 117.38 115.78 2k23 n GLN 174 Ca 0.25 0.00 -0.39 0.00 -2.00 0.00 0.00 57.00 54.86 2k23 n GLN 174 Cb 0.45 0.00 0.03 0.00 -4.06 0.00 0.00 30.24 26.66 2k23 n GLN 174 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2k23 n ILE 176 N -0.72 0.00 -1.91 0.00 3.06 -1.26 -4.80 119.36 113.73 2k23 n ILE 176 Ca 0.09 0.00 -0.32 0.00 -2.50 0.00 0.00 62.75 60.01 2k23 n ILE 176 Cb 0.43 0.00 -0.04 0.00 0.54 0.00 0.00 39.64 40.57 2k23 n ILE 176 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 2k23 s ASP 177 N 0.00 4.94 0.00 9.51 2.15 -1.26 -4.74 116.67 127.27 2k23 s ASP 177 Ca 0.00 0.18 0.30 0.00 0.43 0.00 0.00 52.55 53.46 2k23 s ASP 177 Cb 0.00 -2.53 1.77 0.00 -0.30 0.00 0.00 42.92 41.86 2k23 s ASP 177 CO 0.00 -2.72 2.10 -0.46 -0.17 0.00 0.00 175.17 173.92