#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqr n GLU -3 N 0.00 0.00 -3.77 -0.78 1.02 -1.26 -5.05 120.64 110.79 2jqr n GLU -3 Ca 0.00 -1.19 -0.14 0.00 -0.02 0.00 0.00 57.16 55.82 2jqr n GLU -3 Cb 0.00 0.13 -0.15 0.00 -0.02 0.00 0.00 31.44 31.41 2jqr n GLU -3 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2jqr s PHE -2 N 0.00 -0.09 0.06 -0.32 5.36 -1.26 -5.09 117.98 116.64 2jqr s PHE -2 Ca 0.11 0.32 0.03 0.00 -0.96 0.00 0.00 56.93 56.43 2jqr s PHE -2 Cb 0.13 -0.11 -0.03 0.00 -0.34 0.00 0.00 43.02 42.67 2jqr s PHE -2 CO -0.06 -0.12 -0.08 0.15 -1.46 0.00 0.00 175.22 173.65 2jqr s LYS -1 N 0.93 0.63 0.62 10.12 1.02 -1.26 -5.08 119.74 126.72 2jqr s LYS -1 Ca -0.07 -0.90 -0.18 0.00 0.02 0.00 0.00 55.97 54.84 2jqr s LYS -1 Cb -0.10 -0.35 -0.02 0.00 -0.52 0.00 0.00 37.83 36.84 2jqr s LYS -1 CO -0.04 0.05 1.23 0.00 -0.92 0.00 0.00 175.35 175.67 2jqr s ALA 0 N -1.80 2.45 0.00 5.17 0.00 -1.26 -4.76 121.76 121.57 2jqr s ALA 0 Ca -0.05 1.04 0.00 0.00 0.00 0.00 0.00 51.96 52.95 2jqr s ALA 0 Cb -0.07 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.57 2jqr s ALA 0 CO -0.00 -1.35 0.00 0.41 0.00 0.00 0.00 175.76 174.81 2jqr n GLY 1 N 0.57 5.37 3.55 0.00 0.00 -1.26 -4.96 105.19 108.45 2jqr n GLY 1 Ca 0.14 -1.33 -0.41 0.00 0.00 0.00 0.00 46.02 44.42 2jqr n GLY 1 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jqr s SER 2 N 1.00 6.17 0.27 1.61 0.15 -1.26 -4.93 113.70 116.71 2jqr s SER 2 Ca 0.00 -0.21 0.01 0.00 0.70 0.00 0.00 55.95 56.45 2jqr s SER 2 Cb 0.00 -2.19 0.36 0.00 -1.71 0.00 0.00 66.02 62.48 2jqr s SER 2 CO 0.00 -0.32 1.69 0.00 1.20 0.00 0.00 173.24 175.81 2jqr h ALA 3 N 8.45 1.04 -0.11 5.45 0.00 -1.88 0.68 119.26 132.89 2jqr h ALA 3 Ca -0.30 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.22 2jqr h ALA 3 Cb 1.15 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 2jqr h ALA 3 CO 0.68 0.58 -0.04 0.87 0.00 0.00 0.00 179.25 181.34 2jqr h LYS 4 N 0.45 0.22 -1.00 0.00 1.57 -1.91 -0.42 116.57 115.47 2jqr h LYS 4 Ca 0.06 -0.09 0.05 0.00 -1.87 0.00 0.00 60.65 58.80 2jqr h LYS 4 Cb 0.72 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.95 2jqr h LYS 4 CO 0.05 0.56 0.65 -0.22 -0.57 0.00 0.00 179.45 179.92 2jqr h LYS 5 N -0.12 1.17 -0.64 3.15 1.63 -1.82 -2.64 116.57 117.29 2jqr h LYS 5 Ca 0.03 -0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 59.72 2jqr h LYS 5 Cb 0.48 -0.26 -0.03 0.00 -0.60 0.00 0.00 32.23 31.82 2jqr h LYS 5 CO 0.01 0.78 0.26 0.78 -3.45 0.00 0.00 179.45 177.83 2jqr h GLY 6 N 1.21 1.00 0.97 5.01 0.00 -0.75 -1.14 103.07 109.36 2jqr h GLY 6 Ca 0.42 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 2jqr h GLY 6 CO -0.15 0.48 0.19 0.00 0.00 0.00 0.00 176.54 177.07 2jqr h ALA 7 N 1.37 0.63 0.00 3.60 0.00 -0.71 -0.25 119.26 123.90 2jqr h ALA 7 Ca 0.22 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 2jqr h ALA 7 Cb 0.17 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2jqr h ALA 7 CO -0.02 0.24 -0.46 1.79 0.00 0.00 0.00 179.25 180.80 2jqr h THR 8 N 0.65 0.88 -0.10 0.00 1.35 -1.32 -2.04 112.91 112.33 2jqr h THR 8 Ca 0.16 -1.95 -0.02 0.00 -0.55 0.00 0.00 66.41 64.05 2jqr h THR 8 Cb 0.20 2.22 -0.00 0.00 -1.73 0.00 0.00 68.15 68.84 2jqr h THR 8 CO -0.01 0.45 -0.01 0.25 -0.25 0.00 0.00 175.52 175.94 2jqr h LEU 9 N 0.00 0.18 -0.28 3.87 5.85 -0.76 -1.60 115.31 122.57 2jqr h LEU 9 Ca -0.00 -0.35 0.06 0.00 0.84 0.00 0.00 57.88 58.43 2jqr h LEU 9 Cb 1.19 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 42.10 2jqr h LEU 9 CO 0.06 0.49 -0.15 0.15 -0.34 0.00 0.00 178.44 178.64 2jqr h PHE 10 N -0.12 -0.38 -0.00 1.25 3.04 -0.81 0.26 116.94 120.17 2jqr h PHE 10 Ca 0.03 0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.02 2jqr h PHE 10 Cb 0.40 0.21 -0.01 0.00 2.56 0.00 0.00 35.95 39.11 2jqr h PHE 10 CO 0.05 -0.23 -0.05 0.87 -2.02 0.00 0.00 178.31 176.93 2jqr h LYS 11 N -0.12 -0.09 0.00 1.11 1.57 -1.32 0.18 116.57 117.90 2jqr h LYS 11 Ca 0.15 0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.84 2jqr h LYS 11 Cb 0.35 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 2jqr h LYS 11 CO -0.36 -0.06 -0.43 1.79 -0.57 0.00 0.00 179.45 179.83 2jqr h THR 12 N -0.09 0.85 0.00 -0.16 1.35 -1.07 -3.36 112.91 110.43 2jqr h THR 12 Ca 0.02 -1.83 -0.02 0.00 -0.55 0.00 0.00 66.41 64.03 2jqr h THR 12 Cb 0.12 2.15 -0.00 0.00 -1.73 0.00 0.00 68.15 68.69 2jqr h THR 12 CO -0.06 0.42 -1.19 0.54 -0.25 0.00 0.00 175.52 174.98 2jqr n ARG 13 N -3.37 1.13 -0.01 4.72 5.12 0.06 -4.90 116.66 119.41 2jqr n ARG 13 Ca 0.01 -0.02 -0.01 0.00 -1.93 0.00 0.00 57.85 55.89 2jqr n ARG 13 Cb 0.61 -1.09 -0.02 0.00 -1.16 0.00 0.00 32.46 30.80 2jqr n ARG 13 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2jqr h LEU 15 N 0.00 0.00 -1.98 0.00 5.85 -1.36 -1.54 115.31 116.28 2jqr h LEU 15 Ca -0.08 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.68 2jqr h LEU 15 Cb 1.14 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 2jqr h LEU 15 CO 0.00 0.00 0.12 -0.61 -0.34 0.00 0.00 178.44 177.61 2jqr h GLN 16 N 0.00 0.03 0.00 1.25 4.15 -1.85 -3.20 115.11 115.49 2jqr h GLN 16 Ca 0.07 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.49 2jqr h GLN 16 Cb 0.33 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.01 2jqr h GLN 16 CO -0.00 0.02 -0.77 0.00 -1.93 0.00 0.00 178.83 176.14 2jqr s HIS 18 N -1.82 0.42 0.21 0.00 3.76 -0.81 0.35 115.29 117.40 2jqr s HIS 18 Ca -0.00 -0.59 0.09 0.00 -0.15 0.00 0.00 55.06 54.41 2jqr s HIS 18 Cb 0.01 -0.28 -0.04 0.00 1.11 0.00 0.00 32.58 33.38 2jqr s HIS 18 CO 0.06 -0.18 -0.04 0.95 -0.85 0.00 0.00 174.74 174.69 2jqr s THR 19 N -1.76 3.42 -0.06 1.30 -4.23 -1.26 -4.27 115.64 108.78 2jqr s THR 19 Ca -0.11 -1.68 0.03 0.00 -1.18 0.00 0.00 61.69 58.75 2jqr s THR 19 Cb -0.08 -2.75 -0.05 0.00 1.34 0.00 0.00 72.50 70.97 2jqr s THR 19 CO -0.02 -0.20 0.10 1.33 -0.54 0.00 0.00 174.62 175.29 2jqr n VAL 20 N -0.32 0.00 -2.40 2.29 0.24 -1.26 -1.28 118.33 115.60 2jqr n VAL 20 Ca -0.09 -0.21 -0.35 0.00 -2.04 0.00 0.00 64.34 61.66 2jqr n VAL 20 Cb 0.57 0.64 -0.02 0.00 -1.47 0.00 0.00 33.84 33.55 2jqr n VAL 20 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2jqr s GLU 21 N -1.90 3.63 0.09 7.34 1.03 -1.26 -3.34 118.70 124.29 2jqr s GLU 21 Ca -0.00 1.51 -0.31 0.00 0.03 0.00 0.00 54.97 56.20 2jqr s GLU 21 Cb 0.02 -2.11 -0.08 0.00 -0.80 0.00 0.00 34.13 31.16 2jqr s GLU 21 CO 0.14 -0.60 1.57 0.21 -1.33 0.00 0.00 175.26 175.25 2jqr s LYS 22 N -3.17 4.23 0.00 -4.83 2.47 -1.26 -1.37 119.74 115.82 2jqr s LYS 22 Ca 0.69 2.26 0.00 0.00 -1.56 0.00 0.00 55.97 57.36 2jqr s LYS 22 Cb -0.21 -3.43 0.00 0.00 -1.46 0.00 0.00 37.83 32.73 2jqr s LYS 22 CO 0.24 -0.64 0.00 0.41 0.16 0.00 0.00 175.35 175.52 2jqr n GLY 23 N 3.82 0.70 3.81 5.54 0.00 -1.26 -5.03 105.19 112.77 2jqr n GLY 23 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 2jqr n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jqr s GLY 24 N -1.92 2.52 0.56 -0.02 0.00 -0.47 -5.07 107.32 102.92 2jqr s GLY 24 Ca 0.00 0.38 -0.08 0.00 0.00 0.00 0.00 44.72 45.02 2jqr s GLY 24 CO 0.00 0.70 0.91 2.56 0.00 0.00 0.00 173.10 177.27 2jqr s PRO 25 N -2.75 3.39 0.47 2.90 0.04 -1.26 -4.79 135.00 133.00 2jqr s PRO 25 Ca 0.56 0.35 -0.23 0.00 0.04 0.00 0.00 61.00 61.73 2jqr s PRO 25 Cb -0.12 -2.24 -0.07 0.00 0.04 0.00 0.00 34.50 32.11 2jqr s PRO 25 CO 0.17 -0.47 1.17 -1.01 0.04 0.00 0.00 177.00 176.90 2jqr s HIS 26 N -2.97 2.84 0.00 0.56 3.76 -1.26 -4.15 115.29 114.06 2jqr s HIS 26 Ca 0.52 1.53 0.00 0.00 -0.15 0.00 0.00 55.06 56.96 2jqr s HIS 26 Cb -0.11 -3.39 0.00 0.00 1.11 0.00 0.00 32.58 30.20 2jqr s HIS 26 CO 0.48 -1.56 0.00 1.63 -0.85 0.00 0.00 174.74 174.44 2jqr n LYS 27 N -0.58 0.00 -0.04 1.40 5.02 -1.26 -4.93 118.16 117.76 2jqr n LYS 27 Ca 0.08 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.28 2jqr n LYS 27 Cb 0.48 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.47 2jqr n LYS 27 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jqr s GLY 29 N -2.54 1.66 0.54 0.00 0.00 0.16 -5.06 107.32 102.06 2jqr s GLY 29 Ca -0.13 -1.54 -0.18 0.00 0.00 0.00 0.00 44.72 42.86 2jqr s GLY 29 CO 0.69 -1.47 1.06 2.56 0.00 0.00 0.00 173.10 175.93 2jqr s PRO 30 N -4.06 3.54 0.32 2.90 0.04 -1.26 -4.59 135.00 131.89 2jqr s PRO 30 Ca 0.42 1.33 -0.29 0.00 0.04 0.00 0.00 61.00 62.50 2jqr s PRO 30 Cb -0.08 -2.06 -0.12 0.00 0.04 0.00 0.00 34.50 32.29 2jqr s PRO 30 CO 0.28 -0.64 1.49 -1.71 0.04 0.00 0.00 177.00 176.46 2jqr n ASN 31 N -1.44 3.53 -1.23 6.66 2.85 -1.26 -4.45 115.26 119.92 2jqr n ASN 31 Ca 0.09 1.18 0.11 0.00 -0.11 0.00 0.00 54.58 55.86 2jqr n ASN 31 Cb 0.52 -1.56 0.27 0.00 1.24 0.00 0.00 39.78 40.25 2jqr n ASN 31 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2jqr n LEU 32 N 1.38 3.69 -4.68 1.20 4.77 -0.40 -4.98 117.00 117.98 2jqr n LEU 32 Ca 0.06 -1.77 -0.43 0.00 -0.03 0.00 0.00 56.01 53.83 2jqr n LEU 32 Cb 0.37 -0.37 -0.01 0.00 -2.33 0.00 0.00 43.42 41.07 2jqr n LEU 32 CO 0.63 0.87 0.90 1.57 -1.33 0.00 0.00 177.39 180.03 2jqr n HIS 33 N 1.53 2.16 -1.30 -1.77 -0.00 -1.21 -1.80 115.22 112.82 2jqr n HIS 33 Ca 0.22 0.54 -0.10 0.00 0.46 0.00 0.00 57.72 58.83 2jqr n HIS 33 Cb 0.60 -2.41 -0.04 0.00 -0.12 0.00 0.00 29.99 28.02 2jqr n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2jqr n GLY 34 N 1.17 1.14 0.33 1.57 0.00 0.16 -4.92 105.19 104.64 2jqr n GLY 34 Ca 0.07 -0.34 -0.00 0.00 0.00 0.00 0.00 46.02 45.74 2jqr n GLY 34 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2jqr h ILE 35 N 0.00 1.20 -2.76 -0.61 6.09 -1.58 -3.40 117.51 116.46 2jqr h ILE 35 Ca -0.21 -0.47 -0.53 0.00 -1.37 0.00 0.00 64.86 62.27 2jqr h ILE 35 Cb 0.79 0.27 0.02 0.00 0.47 0.00 0.00 36.82 38.38 2jqr h ILE 35 CO 0.31 0.22 0.94 -0.36 -3.07 0.00 0.00 178.15 176.19 2jqr s PHE 36 N -5.65 2.65 0.00 2.19 0.08 -1.26 -2.19 117.98 113.80 2jqr s PHE 36 Ca -0.10 0.47 0.00 0.00 0.12 0.00 0.00 56.93 57.42 2jqr s PHE 36 Cb 0.17 -3.91 0.00 0.00 -0.57 0.00 0.00 43.02 38.71 2jqr s PHE 36 CO 0.78 -3.55 0.00 0.41 -0.10 0.00 0.00 175.22 172.77 2jqr n GLY 37 N 3.88 2.06 3.93 4.36 0.00 0.12 -5.01 105.19 114.52 2jqr n GLY 37 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 2jqr n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jqr s ARG 38 N -0.36 3.52 0.45 1.61 3.52 -0.93 -4.80 118.95 121.96 2jqr s ARG 38 Ca 0.00 -0.30 -0.02 0.00 -0.13 0.00 0.00 55.73 55.28 2jqr s ARG 38 Cb 0.00 -2.73 -0.02 0.00 -1.56 0.00 0.00 34.95 30.64 2jqr s ARG 38 CO 0.00 0.26 0.70 -1.01 -0.81 0.00 0.00 175.30 174.44 2jqr s HIS 39 N -2.11 3.42 0.51 5.12 3.76 -1.26 -1.68 115.29 123.05 2jqr s HIS 39 Ca 0.40 0.51 -0.22 0.00 -0.15 0.00 0.00 55.06 55.60 2jqr s HIS 39 Cb -0.10 -2.24 -0.06 0.00 1.11 0.00 0.00 32.58 31.29 2jqr s HIS 39 CO 0.32 -0.25 1.26 -1.54 -0.85 0.00 0.00 174.74 173.68 2jqr s SER 40 N -4.14 5.69 -0.22 1.40 1.04 0.43 -3.89 113.70 114.01 2jqr s SER 40 Ca 0.46 2.53 0.00 0.00 0.48 0.00 0.00 55.95 59.42 2jqr s SER 40 Cb -0.10 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.40 2jqr s SER 40 CO 0.41 -1.27 0.00 0.61 0.98 0.00 0.00 173.24 173.97 2jqr n GLY 41 N 0.58 0.41 0.00 7.32 0.00 -1.26 -4.67 105.19 107.57 2jqr n GLY 41 Ca 0.09 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.23 2jqr n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jqr n GLN 42 N -2.03 0.43 -2.04 1.61 1.13 -1.25 -4.93 117.38 110.29 2jqr n GLN 42 Ca -0.03 -0.39 -0.42 0.00 -1.94 0.00 0.00 57.00 54.22 2jqr n GLN 42 Cb 0.31 -0.89 -0.03 0.00 0.11 0.00 0.00 30.24 29.75 2jqr n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2jqr s ALA 43 N -0.17 3.69 0.30 -1.58 0.00 -1.26 -4.99 121.76 117.75 2jqr s ALA 43 Ca 0.00 1.25 -0.23 0.00 0.00 0.00 0.00 51.96 52.98 2jqr s ALA 43 Cb 0.00 -3.58 -0.09 0.00 0.00 0.00 0.00 23.12 19.44 2jqr s ALA 43 CO 0.00 -0.70 0.86 -1.83 0.00 0.00 0.00 175.76 174.09 2jqr s GLU 44 N 1.14 4.41 0.00 0.00 -1.05 -1.26 -3.57 118.70 118.36 2jqr s GLU 44 Ca 0.67 1.12 0.00 0.00 -0.15 0.00 0.00 54.97 56.62 2jqr s GLU 44 Cb -0.40 -2.75 0.00 0.00 -0.44 0.00 0.00 34.13 30.54 2jqr s GLU 44 CO 0.31 0.28 0.00 0.41 0.95 0.00 0.00 175.26 177.21 2jqr n GLY 45 N 0.45 0.71 3.34 -3.83 0.00 -1.26 -5.05 105.19 99.55 2jqr n GLY 45 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 2jqr n GLY 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2jqr s TYR 46 N -2.17 2.52 -1.06 1.61 5.04 -1.23 -5.04 117.35 117.01 2jqr s TYR 46 Ca 0.00 -0.53 -0.15 0.00 -2.44 0.00 0.00 57.07 53.95 2jqr s TYR 46 Cb 0.00 -1.61 0.17 0.00 0.35 0.00 0.00 41.96 40.86 2jqr s TYR 46 CO 0.00 -0.09 1.23 0.45 -1.34 0.00 0.00 175.55 175.80 2jqr s SER 47 N -0.32 6.89 0.81 4.32 0.15 -1.26 -4.99 113.70 119.30 2jqr s SER 47 Ca 0.02 -2.65 -0.11 0.00 0.70 0.00 0.00 55.95 53.91 2jqr s SER 47 Cb -0.13 -2.37 0.08 0.00 -1.71 0.00 0.00 66.02 61.89 2jqr s SER 47 CO 0.02 -0.82 1.09 -0.31 1.20 0.00 0.00 173.24 174.42 2jqr s TYR 48 N 1.66 2.54 0.67 3.44 2.02 -1.26 -5.04 117.35 121.38 2jqr s TYR 48 Ca 0.36 1.44 -0.13 0.00 -0.37 0.00 0.00 57.07 58.37 2jqr s TYR 48 Cb -0.05 -3.08 -0.00 0.00 -0.40 0.00 0.00 41.96 38.43 2jqr s TYR 48 CO -0.05 -1.95 1.07 0.95 -1.57 0.00 0.00 175.55 174.00 2jqr s THR 49 N -2.93 3.80 0.19 -0.71 -4.23 -1.26 -4.95 115.64 105.54 2jqr s THR 49 Ca 0.62 0.70 -0.12 0.00 -1.18 0.00 0.00 61.69 61.70 2jqr s THR 49 Cb -0.17 -3.31 0.09 0.00 1.34 0.00 0.00 72.50 70.46 2jqr s THR 49 CO 0.56 -0.65 1.78 0.44 -0.54 0.00 0.00 174.62 176.20 2jqr h ASP 50 N -0.30 0.33 -0.49 3.99 3.32 -1.96 -3.09 116.42 118.23 2jqr h ASP 50 Ca -0.45 0.04 0.09 0.00 0.02 0.00 0.00 57.03 56.73 2jqr h ASP 50 Cb 1.22 -0.02 -0.08 0.00 0.22 0.00 0.00 39.33 40.68 2jqr h ASP 50 CO 0.56 0.23 0.04 0.00 -1.72 0.00 0.00 179.24 178.35 2jqr h ALA 51 N 1.31 0.50 -0.12 3.45 0.00 -1.87 -2.93 119.26 119.59 2jqr h ALA 51 Ca 0.24 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 2jqr h ALA 51 Cb 0.19 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2jqr h ALA 51 CO -0.19 -0.36 -0.00 -0.97 0.00 0.00 0.00 179.25 177.72 2jqr h ASN 52 N 0.16 0.21 -0.85 0.00 -0.73 -1.86 -2.72 115.58 109.79 2jqr h ASN 52 Ca 0.25 -0.32 0.06 0.00 1.87 0.00 0.00 56.30 58.16 2jqr h ASN 52 Cb 0.36 -0.06 -0.06 0.00 0.27 0.00 0.00 38.32 38.83 2jqr h ASN 52 CO -0.37 0.48 0.52 0.40 -0.37 0.00 0.00 177.43 178.09 2jqr h ILE 53 N -0.06 1.03 0.00 2.57 2.04 -1.51 -2.84 117.51 118.75 2jqr h ILE 53 Ca 0.03 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.57 2jqr h ILE 53 Cb 0.38 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.46 2jqr h ILE 53 CO 0.01 0.17 -0.35 0.11 0.00 0.00 0.00 178.15 178.09 2jqr h LYS 54 N 0.95 0.00 0.00 2.37 1.79 -1.57 -3.20 116.57 116.91 2jqr h LYS 54 Ca 0.37 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.72 2jqr h LYS 54 Cb 0.18 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.81 2jqr h LYS 54 CO -0.18 0.00 -0.59 -0.22 -1.08 0.00 0.00 179.45 177.39 2jqr h LYS 55 N 0.00 0.00 -7.04 3.15 1.63 -1.23 -3.47 116.57 109.62 2jqr h LYS 55 Ca 0.00 0.00 -0.61 0.00 -0.85 0.00 0.00 60.65 59.19 2jqr h LYS 55 Cb 0.76 0.00 -0.25 0.00 -0.60 0.00 0.00 32.23 32.14 2jqr h LYS 55 CO 0.00 0.59 -0.93 -1.71 -3.45 0.00 0.00 179.45 173.94 2jqr n ASN 56 N -3.59 -0.35 -4.75 4.20 4.05 -1.21 -4.91 115.26 108.70 2jqr n ASN 56 Ca -0.00 -1.22 -0.41 0.00 0.45 0.00 0.00 54.58 53.39 2jqr n ASN 56 Cb 0.64 -1.84 -0.02 0.00 1.23 0.00 0.00 39.78 39.79 2jqr n ASN 56 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 2jqr s VAL 57 N -3.92 2.77 -0.28 3.44 1.01 -1.26 -4.69 120.40 117.48 2jqr s VAL 57 Ca 0.31 0.68 -0.18 0.00 0.00 0.00 0.00 61.98 62.80 2jqr s VAL 57 Cb -0.18 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 2jqr s VAL 57 CO 0.99 0.13 0.50 -0.22 0.00 0.00 0.00 175.10 176.50 2jqr s LEU 58 N -0.80 4.09 -0.39 3.92 1.98 -1.26 -0.42 118.68 125.79 2jqr s LEU 58 Ca 0.55 0.42 -0.27 0.00 -2.89 0.00 0.00 54.13 51.94 2jqr s LEU 58 Cb -0.40 -2.63 0.02 0.00 0.66 0.00 0.00 46.19 43.84 2jqr s LEU 58 CO 0.46 -0.31 1.02 0.26 -1.89 0.00 0.00 176.35 175.89 2jqr s TRP 59 N 2.30 3.02 0.15 5.38 0.52 -0.68 -4.82 118.94 124.82 2jqr s TRP 59 Ca 0.20 0.85 0.06 0.00 0.02 0.00 0.00 56.10 57.23 2jqr s TRP 59 Cb -0.16 -3.88 -0.04 0.00 -1.15 0.00 0.00 33.47 28.25 2jqr s TRP 59 CO 0.10 -0.94 -0.12 0.16 0.02 0.00 0.00 176.95 176.17 2jqr s ASP 60 N 1.99 2.03 0.61 2.95 1.47 -1.26 0.11 116.67 124.57 2jqr s ASP 60 Ca 0.42 -0.95 0.27 0.00 1.18 0.00 0.00 52.55 53.48 2jqr s ASP 60 Cb -0.11 -0.06 1.34 0.00 -0.34 0.00 0.00 42.92 43.75 2jqr s ASP 60 CO 0.21 -0.24 1.75 1.05 0.68 0.00 0.00 175.17 178.63 2jqr h GLU 61 N 2.96 0.00 0.16 2.11 4.11 -1.98 -2.39 114.58 119.55 2jqr h GLU 61 Ca -0.38 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 58.81 2jqr h GLU 61 Cb 1.20 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.47 2jqr h GLU 61 CO 0.59 0.00 -1.11 -0.91 0.07 0.00 0.00 179.01 177.65 2jqr h ASN 62 N 0.00 0.52 -0.38 3.06 4.21 -1.96 -2.90 115.58 118.14 2jqr h ASN 62 Ca 0.20 -0.92 -0.04 0.00 1.21 0.00 0.00 56.30 56.75 2jqr h ASN 62 Cb 1.40 -0.17 -0.02 0.00 -1.12 0.00 0.00 38.32 38.42 2jqr h ASN 62 CO -0.00 1.52 0.09 -1.13 -1.29 0.00 0.00 177.43 176.62 2jqr h ASN 63 N -0.25 0.58 -0.99 5.81 -0.73 -1.83 -3.04 115.58 115.13 2jqr h ASN 63 Ca -0.21 -0.23 0.09 0.00 1.87 0.00 0.00 56.30 57.82 2jqr h ASN 63 Cb 1.78 -0.15 -0.07 0.00 0.27 0.00 0.00 38.32 40.14 2jqr h ASN 63 CO 0.15 0.66 0.64 -0.03 -0.37 0.00 0.00 177.43 178.49 2jqr h MET 64 N 0.47 1.05 -0.53 6.67 4.05 -1.55 0.34 114.93 125.43 2jqr h MET 64 Ca 0.12 -0.06 -0.08 0.00 -0.28 0.00 0.00 59.70 59.39 2jqr h MET 64 Cb 0.31 -0.24 -0.02 0.00 -0.80 0.00 0.00 31.60 30.86 2jqr h MET 64 CO 0.00 0.70 0.01 1.03 0.23 0.00 0.00 176.91 178.88 2jqr h SER 65 N 1.08 0.91 -0.25 1.39 0.87 -1.39 -0.97 113.55 115.19 2jqr h SER 65 Ca 0.46 -0.30 -0.19 0.00 -1.23 0.00 0.00 61.79 60.53 2jqr h SER 65 Cb 0.31 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 2jqr h SER 65 CO -0.21 0.98 -0.57 -0.33 -0.53 0.00 0.00 176.83 176.18 2jqr h GLU 66 N 0.80 0.83 0.27 2.24 3.07 -1.36 -2.39 114.58 118.04 2jqr h GLU 66 Ca 0.15 -0.55 0.01 0.00 -0.50 0.00 0.00 59.36 58.46 2jqr h GLU 66 Cb 0.51 0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.47 2jqr h GLU 66 CO 0.02 1.18 -0.35 -0.92 -1.40 0.00 0.00 179.01 177.55 2jqr h TYR 67 N 0.59 -0.96 0.00 4.33 3.20 -0.20 -2.50 116.97 121.43 2jqr h TYR 67 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2jqr h TYR 67 Cb 1.18 0.38 0.00 0.00 1.54 0.00 0.00 36.73 39.83 2jqr h TYR 67 CO 0.08 -0.48 0.00 -0.07 -1.64 0.00 0.00 178.16 176.05 2jqr h LEU 68 N -0.68 0.00 -0.86 2.82 3.38 -1.10 -0.14 115.31 118.72 2jqr h LEU 68 Ca -0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 2jqr h LEU 68 Cb 0.64 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 2jqr h LEU 68 CO -0.11 0.00 -0.04 0.74 0.09 0.00 0.00 178.44 179.12 2jqr h THR 69 N 0.00 1.25 -0.25 0.22 2.02 -0.95 0.19 112.91 115.38 2jqr h THR 69 Ca 0.00 -1.07 0.09 0.00 0.77 0.00 0.00 66.41 66.20 2jqr h THR 69 Cb 0.01 0.93 -0.17 0.00 -1.74 0.00 0.00 68.15 67.18 2jqr h THR 69 CO 0.00 0.37 -0.13 0.21 0.37 0.00 0.00 175.52 176.34 2jqr s ASN 70 N -6.66 -0.38 0.19 4.18 3.84 -0.44 -3.89 114.94 111.79 2jqr s ASN 70 Ca -0.10 -0.26 -0.15 0.00 0.21 0.00 0.00 52.86 52.57 2jqr s ASN 70 Cb 0.14 0.49 0.18 0.00 -0.55 0.00 0.00 41.25 41.51 2jqr s ASN 70 CO 0.82 -0.03 1.64 -0.65 -2.79 0.00 0.00 177.10 176.08 2jqr h PRO 71 N 5.18 -0.02 0.00 0.43 0.11 -1.30 -1.28 132.00 135.11 2jqr h PRO 71 Ca -0.02 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.05 2jqr h PRO 71 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 2jqr h PRO 71 CO -0.07 -0.01 -0.17 0.87 -0.21 0.00 0.00 178.00 178.40 2jqr h LYS 72 N -0.02 0.00 0.04 1.05 1.57 -1.84 0.24 116.57 117.61 2jqr h LYS 72 Ca 0.26 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.80 2jqr h LYS 72 Cb 0.42 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.75 2jqr h LYS 72 CO -0.57 0.17 -0.98 -0.22 -0.57 0.00 0.00 179.45 177.28 2jqr h LYS 73 N 0.00 0.59 -0.13 3.15 1.63 -1.77 -2.85 116.57 117.20 2jqr h LYS 73 Ca -0.00 -0.69 -0.11 0.00 -0.85 0.00 0.00 60.65 59.00 2jqr h LYS 73 Cb 0.63 0.21 0.00 0.00 -0.60 0.00 0.00 32.23 32.47 2jqr h LYS 73 CO 0.02 1.29 -0.33 -0.92 -3.45 0.00 0.00 179.45 176.06 2jqr h TYR 74 N 0.20 0.58 -2.99 1.91 3.20 -0.75 -3.39 116.97 115.74 2jqr h TYR 74 Ca -0.13 -0.22 -0.62 0.00 3.14 0.00 0.00 58.73 60.90 2jqr h TYR 74 Cb 1.66 -0.10 -0.41 0.00 1.54 0.00 0.00 36.73 39.43 2jqr h TYR 74 CO 0.12 0.95 -0.69 0.42 -1.64 0.00 0.00 178.16 177.32 2jqr s ILE 75 N -3.89 2.01 0.12 1.81 1.01 0.80 -5.09 121.20 117.97 2jqr s ILE 75 Ca -0.13 -3.38 -0.31 0.00 0.00 0.00 0.00 60.65 56.83 2jqr s ILE 75 Cb 0.05 -2.36 -0.09 0.00 0.01 0.00 0.00 42.46 40.07 2jqr s ILE 75 CO 0.79 -0.98 1.52 -2.84 0.00 0.00 0.00 174.94 173.43 2jqr s PRO 76 N -0.51 4.25 0.00 2.79 0.02 -1.07 -1.19 135.00 139.28 2jqr s PRO 76 Ca 0.23 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.49 2jqr s PRO 76 Cb -0.12 -3.29 0.00 0.00 0.02 0.00 0.00 34.50 31.10 2jqr s PRO 76 CO -0.10 -0.58 0.00 0.41 -0.33 0.00 0.00 177.00 176.41 2jqr n GLY 77 N 3.71 0.43 3.76 0.52 0.00 -1.26 -4.82 105.19 107.54 2jqr n GLY 77 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 2jqr n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2jqr s THR 78 N -2.02 2.82 -2.13 2.61 -1.32 -0.34 -4.73 115.64 110.53 2jqr s THR 78 Ca 0.00 0.60 0.17 0.00 -1.21 0.00 0.00 61.69 61.25 2jqr s THR 78 Cb 0.00 -3.30 0.43 0.00 -1.51 0.00 0.00 72.50 68.13 2jqr s THR 78 CO 0.00 -0.03 1.41 2.29 -2.21 0.00 0.00 174.62 176.08 2jqr n LYS 79 N -0.77 2.08 -2.21 7.08 2.85 -1.26 -4.83 118.16 121.10 2jqr n LYS 79 Ca 0.09 -1.66 -0.42 0.00 -1.05 0.00 0.00 58.31 55.28 2jqr n LYS 79 Cb 0.48 -1.40 -0.03 0.00 -0.65 0.00 0.00 35.03 33.43 2jqr n LYS 79 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 2jqr s MET 80 N -1.48 3.23 -1.31 -1.58 1.75 -1.26 -4.92 119.30 113.74 2jqr s MET 80 Ca 0.33 0.84 -0.13 0.00 -1.25 0.00 0.00 55.69 55.48 2jqr s MET 80 Cb 0.18 -4.18 0.12 0.00 2.84 0.00 0.00 34.83 33.79 2jqr s MET 80 CO 0.24 -2.00 1.83 0.00 -0.65 0.00 0.00 175.02 174.44 2jqr n ALA 81 N 10.25 4.75 -3.72 4.11 0.00 -1.26 -4.78 120.51 129.86 2jqr n ALA 81 Ca 0.18 -4.12 -0.20 0.00 0.00 0.00 0.00 53.44 49.29 2jqr n ALA 81 Cb 0.49 -3.23 -0.17 0.00 0.00 0.00 0.00 19.45 16.54 2jqr n ALA 81 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2jqr s PHE 82 N 1.93 0.39 0.17 0.00 5.36 -1.26 -5.05 117.98 119.52 2jqr s PHE 82 Ca 0.44 -0.00 -0.12 0.00 -0.96 0.00 0.00 56.93 56.30 2jqr s PHE 82 Cb 0.07 -0.56 0.07 0.00 -0.34 0.00 0.00 43.02 42.25 2jqr s PHE 82 CO -0.00 -0.21 1.71 0.78 -1.46 0.00 0.00 175.22 176.03 2jqr h GLY 83 N 7.89 0.97 0.00 13.12 0.00 -1.96 -3.40 103.07 119.68 2jqr h GLY 83 Ca -0.28 -0.56 0.00 0.00 0.00 0.00 0.00 47.33 46.50 2jqr h GLY 83 CO 0.33 0.52 0.00 0.61 0.00 0.00 0.00 176.54 178.00 2jqr n GLY 84 N -0.74 3.77 3.01 4.60 0.00 -1.26 -4.47 105.19 110.09 2jqr n GLY 84 Ca 0.03 -1.70 -0.31 0.00 0.00 0.00 0.00 46.02 44.04 2jqr n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jqr s LEU 85 N 0.00 4.68 0.31 0.99 1.43 0.65 -4.97 118.68 121.77 2jqr s LEU 85 Ca 0.00 -2.37 0.14 0.00 -1.03 0.00 0.00 54.13 50.86 2jqr s LEU 85 Cb 0.00 -1.64 0.46 0.00 0.03 0.00 0.00 46.19 45.03 2jqr s LEU 85 CO 0.00 -0.35 1.65 0.11 0.23 0.00 0.00 176.35 177.99 2jqr h LYS 86 N 7.35 0.00 -5.88 1.70 1.79 -1.84 -3.37 116.57 116.32 2jqr h LYS 86 Ca -0.05 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.84 2jqr h LYS 86 Cb 0.99 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.57 2jqr h LYS 86 CO 0.57 0.53 0.15 0.15 -1.08 0.00 0.00 179.45 179.77 2jqr s LYS 87 N -3.58 4.33 0.36 3.15 1.02 -1.26 -4.94 119.74 118.82 2jqr s LYS 87 Ca -0.01 0.80 0.07 0.00 0.02 0.00 0.00 55.97 56.86 2jqr s LYS 87 Cb 0.12 -3.51 0.77 0.00 -0.52 0.00 0.00 37.83 34.69 2jqr s LYS 87 CO 0.74 -0.11 1.91 1.49 -0.92 0.00 0.00 175.35 178.46 2jqr h GLU 88 N 7.10 0.71 -0.52 1.68 4.81 -2.00 -2.23 114.58 124.13 2jqr h GLU 88 Ca -0.36 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 58.77 2jqr h GLU 88 Cb 1.17 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.36 2jqr h GLU 88 CO 0.78 0.47 0.08 1.57 -0.73 0.00 0.00 179.01 181.18 2jqr h LYS 89 N 0.73 0.83 -0.01 1.92 2.10 -1.97 0.91 116.57 121.08 2jqr h LYS 89 Ca 0.38 -0.19 -0.00 0.00 -2.00 0.00 0.00 60.65 58.84 2jqr h LYS 89 Cb 0.49 -0.11 -0.00 0.00 -0.90 0.00 0.00 32.23 31.71 2jqr h LYS 89 CO -0.15 0.78 0.00 -0.44 -2.00 0.00 0.00 179.45 177.64 2jqr h ASP 90 N 0.79 0.02 -0.68 7.07 3.32 -1.86 -1.70 116.42 123.37 2jqr h ASP 90 Ca 0.17 -0.21 0.05 0.00 0.02 0.00 0.00 57.03 57.06 2jqr h ASP 90 Cb 0.36 -0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.85 2jqr h ASP 90 CO 0.01 0.22 0.39 0.03 -1.72 0.00 0.00 179.24 178.17 2jqr h ARG 91 N -0.19 0.72 -0.26 3.56 3.08 -1.23 0.10 114.38 120.15 2jqr h ARG 91 Ca 0.00 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2jqr h ARG 91 Cb 0.21 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 2jqr h ARG 91 CO -0.00 0.47 0.12 -0.91 -1.07 0.00 0.00 179.97 178.59 2jqr h ASN 92 N 0.74 0.35 0.06 7.04 2.35 -0.64 0.58 115.58 126.05 2jqr h ASN 92 Ca 0.29 -0.13 0.03 0.00 -0.55 0.00 0.00 56.30 55.94 2jqr h ASN 92 Cb 0.14 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.37 2jqr h ASN 92 CO -0.16 0.39 -0.32 0.44 -1.65 0.00 0.00 177.43 176.12 2jqr h ASP 93 N 0.29 -0.95 -0.24 5.81 3.32 -1.15 -0.97 116.42 122.52 2jqr h ASP 93 Ca 0.09 0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 2jqr h ASP 93 Cb 0.13 0.37 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 2jqr h ASP 93 CO -0.01 -0.40 0.15 0.25 -1.72 0.00 0.00 179.24 177.51 2jqr h LEU 94 N -0.51 0.29 -1.38 1.55 5.85 -0.54 -2.20 115.31 118.36 2jqr h LEU 94 Ca 0.04 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 2jqr h LEU 94 Cb 0.57 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 2jqr h LEU 94 CO -0.23 0.25 0.11 0.40 -0.34 0.00 0.00 178.44 178.63 2jqr h ILE 95 N 0.31 1.16 -0.46 4.05 2.04 -0.88 0.27 117.51 123.99 2jqr h ILE 95 Ca 0.09 -0.54 0.03 0.00 1.00 0.00 0.00 64.86 65.43 2jqr h ILE 95 Cb 0.01 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 2jqr h ILE 95 CO -0.02 0.20 0.26 0.74 0.00 0.00 0.00 178.15 179.33 2jqr h THR 96 N 0.51 1.02 -0.37 -0.27 2.02 -0.57 0.46 112.91 115.73 2jqr h THR 96 Ca 0.12 -0.18 -0.10 0.00 0.77 0.00 0.00 66.41 67.02 2jqr h THR 96 Cb 0.17 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 2jqr h THR 96 CO -0.01 0.10 -0.16 0.22 0.37 0.00 0.00 175.52 176.03 2jqr h TYR 97 N 0.52 0.87 -0.25 3.16 3.20 -0.92 -3.06 116.97 120.49 2jqr h TYR 97 Ca 0.19 -0.21 -0.04 0.00 3.14 0.00 0.00 58.73 61.80 2jqr h TYR 97 Cb 0.04 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 2jqr h TYR 97 CO -0.08 0.94 -0.02 -0.07 -1.64 0.00 0.00 178.16 177.30 2jqr h LEU 98 N 0.55 0.45 -0.86 2.82 3.38 -0.11 0.16 115.31 121.69 2jqr h LEU 98 Ca 0.08 -0.33 0.22 0.00 0.09 0.00 0.00 57.88 57.95 2jqr h LEU 98 Cb 0.71 -0.12 -0.14 0.00 0.09 0.00 0.00 40.66 41.19 2jqr h LEU 98 CO 0.05 0.67 0.18 0.50 0.09 0.00 0.00 178.44 179.93 2jqr h LYS 99 N 0.22 0.17 -0.02 1.13 3.64 -0.13 0.24 116.57 121.82 2jqr h LYS 99 Ca 0.07 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.33 2jqr h LYS 99 Cb 0.45 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.23 2jqr h LYS 99 CO 0.02 0.12 -0.42 0.87 -2.27 0.00 0.00 179.45 177.76 2jqr h LYS 100 N 0.18 0.32 0.00 1.90 1.79 -1.36 -3.36 116.57 116.04 2jqr h LYS 100 Ca 0.53 -0.32 -0.03 0.00 -2.18 0.00 0.00 60.65 58.65 2jqr h LYS 100 Cb 1.05 0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 31.78 2jqr h LYS 100 CO -0.67 1.00 -0.40 0.00 -1.08 0.00 0.00 179.45 178.30 2jqr h ALA 101 N 0.33 0.81 -0.16 3.86 0.00 -0.27 -3.29 119.26 120.53 2jqr h ALA 101 Ca -0.05 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2jqr h ALA 101 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2jqr h ALA 101 CO 0.08 0.18 0.00 -2.37 0.00 0.00 0.00 179.25 177.14 2jqr n THR 102 N -3.02 0.21 1.53 0.00 5.66 0.03 -4.67 114.28 114.02 2jqr n THR 102 Ca 0.02 -0.33 0.14 0.00 -3.05 0.00 0.00 64.05 60.83 2jqr n THR 102 Cb 0.59 0.33 0.55 0.00 -1.55 0.00 0.00 70.33 70.25 2jqr n THR 102 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23