#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqo n ASN 2 N 0.00 0.32 -1.06 7.83 6.94 -1.26 -1.87 115.26 126.16 2jqo n ASN 2 Ca 0.00 -1.48 0.12 0.00 -0.02 0.00 0.00 54.58 53.20 2jqo n ASN 2 Cb 0.00 -0.16 0.22 0.00 -2.36 0.00 0.00 39.78 37.48 2jqo n ASN 2 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2jqo n LYS 3 N -0.23 2.39 -3.08 -3.83 5.02 -1.26 -4.93 118.16 112.24 2jqo n LYS 3 Ca 0.00 -2.09 -0.20 0.00 -2.02 0.00 0.00 58.31 54.00 2jqo n LYS 3 Cb 0.08 -1.49 0.04 0.00 -0.02 0.00 0.00 35.03 33.64 2jqo n LYS 3 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2jqo n ASN 4 N 1.34 -5.72 -4.78 4.39 4.13 -0.78 -4.95 115.26 108.89 2jqo n ASN 4 Ca 0.18 -0.32 -0.36 0.00 1.68 0.00 0.00 54.58 55.76 2jqo n ASN 4 Cb 0.58 -4.49 -0.01 0.00 -1.54 0.00 0.00 39.78 34.31 2jqo n ASN 4 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2jqo s GLU 5 N -5.74 3.70 -0.03 3.52 2.02 -1.25 -4.97 118.70 115.96 2jqo s GLU 5 Ca 0.34 1.66 -0.20 0.00 0.02 0.00 0.00 54.97 56.79 2jqo s GLU 5 Cb -0.15 -2.28 -0.33 0.00 0.10 0.00 0.00 34.13 31.47 2jqo s GLU 5 CO 0.42 -0.57 0.91 0.37 0.02 0.00 0.00 175.26 176.41 2jqo h GLN 6 N 1.83 0.37 -6.03 1.61 4.15 -1.96 -3.43 115.11 111.64 2jqo h GLN 6 Ca -0.49 -0.63 -0.68 0.00 0.77 0.00 0.00 58.65 57.62 2jqo h GLN 6 Cb 1.24 0.23 -0.19 0.00 0.21 0.00 0.00 27.48 28.98 2jqo h GLN 6 CO 0.59 1.30 -0.69 1.21 -1.93 0.00 0.00 178.83 179.32 2jqo s ASN 7 N -7.15 4.71 0.00 -0.69 2.47 -1.26 -4.80 114.94 108.21 2jqo s ASN 7 Ca -0.13 -0.02 0.00 0.00 0.42 0.00 0.00 52.86 53.13 2jqo s ASN 7 Cb 0.02 -1.27 0.00 0.00 -1.45 0.00 0.00 41.25 38.55 2jqo s ASN 7 CO 0.86 0.34 0.00 0.61 -3.72 0.00 0.00 177.10 175.19 2jqo n GLY 8 N 2.36 1.39 0.00 1.21 0.00 -1.26 -4.81 105.19 104.09 2jqo n GLY 8 Ca -0.18 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2jqo n GLY 8 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jqo n ASP 9 N 0.00 0.00 -0.16 1.61 9.92 -1.26 -4.93 116.55 121.73 2jqo n ASP 9 Ca 0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.24 2jqo n ASP 9 Cb 0.00 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.47 2jqo n ASP 9 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2jqo n GLU 10 N -0.39 -1.76 -3.15 -1.24 1.02 -1.26 -4.96 120.64 108.91 2jqo n GLU 10 Ca 0.00 0.53 -0.39 0.00 -0.02 0.00 0.00 57.16 57.28 2jqo n GLU 10 Cb 0.00 -4.88 -0.05 0.00 -0.02 0.00 0.00 31.44 26.48 2jqo n GLU 10 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2jqo s THR 11 N -1.27 5.04 -0.01 2.62 -4.23 -1.26 -5.02 115.64 111.50 2jqo s THR 11 Ca 0.00 1.28 -0.30 0.00 -1.18 0.00 0.00 61.69 61.49 2jqo s THR 11 Cb 0.00 -3.96 -0.04 0.00 1.34 0.00 0.00 72.50 69.83 2jqo s THR 11 CO 0.00 0.31 1.25 -0.75 -0.54 0.00 0.00 174.62 174.89 2jqo s LYS 12 N 0.49 4.36 0.22 3.99 2.20 -1.26 -5.02 119.74 124.72 2jqo s LYS 12 Ca 0.33 1.77 0.12 0.00 -0.36 0.00 0.00 55.97 57.83 2jqo s LYS 12 Cb -0.17 -3.50 -0.05 0.00 -1.51 0.00 0.00 37.83 32.60 2jqo s LYS 12 CO 0.16 -0.43 -0.22 -1.64 -0.36 0.00 0.00 175.35 172.86 2jqo s MET 13 N 1.95 1.59 -0.20 4.03 -1.94 -1.26 -4.99 119.30 118.47 2jqo s MET 13 Ca 0.59 -1.61 -0.26 0.00 -1.71 0.00 0.00 55.69 52.70 2jqo s MET 13 Cb -0.28 -1.82 -0.01 0.00 2.01 0.00 0.00 34.83 34.73 2jqo s MET 13 CO 0.25 0.38 0.89 -1.14 -0.01 0.00 0.00 175.02 175.39 2jqo s GLN 14 N -2.97 4.26 -0.12 2.03 0.74 0.50 -4.83 119.66 119.27 2jqo s GLN 14 Ca 0.24 1.10 -0.27 0.00 0.05 0.00 0.00 55.36 56.48 2jqo s GLN 14 Cb -0.07 -3.61 -0.02 0.00 1.10 0.00 0.00 33.01 30.42 2jqo s GLN 14 CO 0.12 -0.45 0.89 -1.12 -0.55 0.00 0.00 175.29 174.17 2jqo s SER 15 N 1.22 7.09 -0.05 6.67 0.01 -1.26 -2.07 113.70 125.31 2jqo s SER 15 Ca 0.39 1.34 -0.02 0.00 1.31 0.00 0.00 55.95 58.97 2jqo s SER 15 Cb -0.16 -2.49 0.03 0.00 0.21 0.00 0.00 66.02 63.61 2jqo s SER 15 CO 0.10 -0.38 0.04 -0.22 0.41 0.00 0.00 173.24 173.19 2jqo s LEU 16 N 1.89 0.32 0.05 2.44 1.98 0.21 -5.00 118.68 120.56 2jqo s LEU 16 Ca 0.43 0.03 -0.19 0.00 -2.89 0.00 0.00 54.13 51.51 2jqo s LEU 16 Cb -0.18 -0.22 -0.06 0.00 0.66 0.00 0.00 46.19 46.39 2jqo s LEU 16 CO 0.16 -0.23 0.54 0.54 -1.89 0.00 0.00 176.35 175.47 2jqo s VAL 17 N 2.05 4.82 -0.07 1.68 0.11 -1.26 0.12 120.40 127.85 2jqo s VAL 17 Ca 0.04 1.15 -0.14 0.00 -2.93 0.00 0.00 61.98 60.11 2jqo s VAL 17 Cb -0.12 -3.87 0.03 0.00 -1.53 0.00 0.00 36.38 30.89 2jqo s VAL 17 CO -0.04 0.54 0.33 -0.83 -3.33 0.00 0.00 175.10 171.77 2jqo s GLY 18 N -0.96 -0.20 -0.24 6.54 0.00 0.36 -4.37 107.32 108.45 2jqo s GLY 18 Ca 0.28 0.62 -0.19 0.00 0.00 0.00 0.00 44.72 45.44 2jqo s GLY 18 CO 0.18 0.44 0.54 -0.19 0.00 0.00 0.00 173.10 174.07 2jqo s TYR 19 N -0.65 3.30 -0.87 1.90 1.51 0.13 -1.13 117.35 121.54 2jqo s TYR 19 Ca -0.07 0.71 -0.25 0.00 -1.01 0.00 0.00 57.07 56.45 2jqo s TYR 19 Cb -0.04 -2.73 0.01 0.00 -0.11 0.00 0.00 41.96 39.09 2jqo s TYR 19 CO 0.03 -0.24 1.60 0.08 -1.11 0.00 0.00 175.55 175.91 2jqo s VAL 20 N 2.17 3.67 -0.20 0.71 1.01 0.14 -1.81 120.40 126.10 2jqo s VAL 20 Ca 0.23 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.96 2jqo s VAL 20 Cb -0.16 -4.59 -0.21 0.00 0.00 0.00 0.00 36.38 31.42 2jqo s VAL 20 CO 0.09 -1.51 0.04 1.33 0.00 0.00 0.00 175.10 175.05 2jqo n VAL 21 N 7.09 1.57 -4.55 2.92 0.24 -1.12 0.66 118.33 125.15 2jqo n VAL 21 Ca 0.27 -0.65 -0.31 0.00 -2.04 0.00 0.00 64.34 61.61 2jqo n VAL 21 Cb 0.50 -1.37 -0.17 0.00 -1.47 0.00 0.00 33.84 31.33 2jqo n VAL 21 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2jqo s LEU 22 N -6.52 1.96 -0.16 1.34 1.43 -1.05 -4.44 118.68 111.25 2jqo s LEU 22 Ca -0.26 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.30 2jqo s LEU 22 Cb 0.08 -1.32 0.03 0.00 0.03 0.00 0.00 46.19 45.01 2jqo s LEU 22 CO 0.69 0.05 -0.13 -0.75 0.23 0.00 0.00 176.35 176.44 2jqo s LYS 23 N 0.92 2.23 -0.05 1.70 2.20 -1.26 -0.95 119.74 124.53 2jqo s LYS 23 Ca -0.06 -0.60 0.08 0.00 -0.36 0.00 0.00 55.97 55.03 2jqo s LYS 23 Cb -0.15 -2.15 0.15 0.00 -1.51 0.00 0.00 37.83 34.17 2jqo s LYS 23 CO -0.03 -0.27 1.10 -0.25 -0.36 0.00 0.00 175.35 175.54 2jqo n ASP 24 N 4.76 2.32 0.00 1.43 8.00 -0.01 -5.02 116.55 128.04 2jqo n ASP 24 Ca -0.16 -2.39 0.00 0.00 0.71 0.00 0.00 54.79 52.95 2jqo n ASP 24 Cb 0.49 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.41 2jqo n ASP 24 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2jqo n ASN 25 N -0.68 0.00 0.06 -2.24 4.13 -1.26 -3.88 115.26 111.39 2jqo n ASN 25 Ca 0.07 0.00 -0.18 0.00 1.68 0.00 0.00 54.58 56.15 2jqo n ASN 25 Cb 0.42 0.00 -0.14 0.00 -1.54 0.00 0.00 39.78 38.52 2jqo n ASN 25 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 2jqo h GLU 26 N 0.00 0.27 -6.53 3.52 4.22 -1.95 -3.43 114.58 110.68 2jqo h GLU 26 Ca 0.00 -0.47 -0.67 0.00 0.08 0.00 0.00 59.36 58.30 2jqo h GLU 26 Cb 0.00 0.17 -0.17 0.00 0.50 0.00 0.00 28.75 29.25 2jqo h GLU 26 CO 0.00 1.14 -0.75 1.03 -2.18 0.00 0.00 179.01 178.25 2jqo s ARG 27 N -2.60 2.15 -0.02 1.92 0.52 -1.25 -0.71 118.95 118.96 2jqo s ARG 27 Ca -0.11 -0.99 0.00 0.00 -0.52 0.00 0.00 55.73 54.11 2jqo s ARG 27 Cb 0.06 -2.30 0.03 0.00 0.52 0.00 0.00 34.95 33.26 2jqo s ARG 27 CO 0.85 0.52 0.01 0.00 0.02 0.00 0.00 175.30 176.70 2jqo s ALA 28 N -1.13 0.21 -0.31 2.13 0.00 -0.58 -0.83 121.76 121.25 2jqo s ALA 28 Ca 0.19 0.20 -0.10 0.00 0.00 0.00 0.00 51.96 52.26 2jqo s ALA 28 Cb -0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 23.12 22.74 2jqo s ALA 28 CO 0.11 -0.07 0.15 0.42 0.00 0.00 0.00 175.76 176.37 2jqo s ILE 29 N 0.94 4.60 0.07 0.00 1.01 -0.12 0.02 121.20 127.72 2jqo s ILE 29 Ca -0.09 -0.41 0.07 0.00 0.00 0.00 0.00 60.65 60.22 2jqo s ILE 29 Cb -0.12 -3.34 -0.04 0.00 0.01 0.00 0.00 42.46 38.97 2jqo s ILE 29 CO -0.02 0.08 -0.14 -0.76 0.00 0.00 0.00 174.94 174.09 2jqo s LEU 30 N 1.61 2.83 -0.20 2.97 1.43 0.40 -2.52 118.68 125.21 2jqo s LEU 30 Ca 0.05 -0.40 -0.09 0.00 -1.03 0.00 0.00 54.13 52.66 2jqo s LEU 30 Cb -0.17 -1.66 -0.05 0.00 0.03 0.00 0.00 46.19 44.35 2jqo s LEU 30 CO 0.06 0.22 0.10 -0.63 0.23 0.00 0.00 176.35 176.34 2jqo s ILE 31 N -1.06 5.09 0.10 -0.59 1.01 -0.75 -0.22 121.20 124.78 2jqo s ILE 31 Ca 0.17 0.07 -0.33 0.00 0.00 0.00 0.00 60.65 60.56 2jqo s ILE 31 Cb -0.11 -3.32 -0.14 0.00 0.01 0.00 0.00 42.46 38.91 2jqo s ILE 31 CO 0.09 0.44 1.58 0.71 0.00 0.00 0.00 174.94 177.75 2jqo h THR 32 N 4.83 0.10 -1.76 2.92 1.35 -0.88 0.36 112.91 119.82 2jqo h THR 32 Ca -0.39 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.49 2jqo h THR 32 Cb 1.16 0.10 -0.24 0.00 -1.73 0.00 0.00 68.15 67.44 2jqo h THR 32 CO 0.72 0.00 0.32 -0.62 -0.25 0.00 0.00 175.52 175.69 2jqo s ASP 33 N -4.55 -0.57 0.00 5.36 2.15 -1.26 -4.01 116.67 113.78 2jqo s ASP 33 Ca -0.17 1.09 0.00 0.00 0.43 0.00 0.00 52.55 53.90 2jqo s ASP 33 Cb 0.06 1.10 0.00 0.00 -0.30 0.00 0.00 42.92 43.77 2jqo s ASP 33 CO 0.62 -0.20 0.68 0.41 -0.17 0.00 0.00 175.17 176.51 2jqo n THR 34 N 2.35 0.00 -3.65 1.71 -1.04 -1.26 -5.02 114.28 107.37 2jqo n THR 34 Ca -0.13 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.61 2jqo n THR 34 Cb 0.56 0.42 0.02 0.00 -1.82 0.00 0.00 70.33 69.51 2jqo n THR 34 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2jqo n LYS 35 N 0.00 -1.20 -2.55 -2.82 4.76 -1.26 -4.34 118.16 110.75 2jqo n LYS 35 Ca 0.00 0.66 -0.04 0.00 -2.87 0.00 0.00 58.31 56.06 2jqo n LYS 35 Cb 0.59 -3.77 -0.03 0.00 -1.84 0.00 0.00 35.03 29.98 2jqo n LYS 35 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2jqo n ALA 36 N -3.52 -3.61 -0.69 7.82 0.00 -1.26 -5.00 120.51 114.26 2jqo n ALA 36 Ca -0.13 1.66 -0.29 0.00 0.00 0.00 0.00 53.44 54.67 2jqo n ALA 36 Cb 0.60 -3.24 0.22 0.00 0.00 0.00 0.00 19.45 17.03 2jqo n ALA 36 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2jqo s PRO 37 N -0.99 -0.36 0.52 0.00 0.04 -1.26 -5.03 135.00 127.92 2jqo s PRO 37 Ca -0.18 0.90 -0.00 0.00 0.04 0.00 0.00 61.00 61.76 2jqo s PRO 37 Cb 0.01 -1.62 0.02 0.00 0.04 0.00 0.00 34.50 32.95 2jqo s PRO 37 CO 0.74 -3.36 0.75 0.20 0.04 0.00 0.00 177.00 175.37 2jqo s GLY 38 N -2.72 1.68 0.48 0.56 0.00 -1.26 -4.97 107.32 101.10 2jqo s GLY 38 Ca 0.67 -1.13 0.17 0.00 0.00 0.00 0.00 44.72 44.44 2jqo s GLY 38 CO 0.62 -0.89 2.05 1.70 0.00 0.00 0.00 173.10 176.58 2jqo h LYS 39 N 0.16 0.00 -0.22 2.90 3.64 -1.98 -0.48 116.57 120.58 2jqo h LYS 39 Ca -0.44 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 58.86 2jqo h LYS 39 Cb 1.27 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.08 2jqo h LYS 39 CO 0.56 0.13 -0.19 1.49 -2.27 0.00 0.00 179.45 179.17 2jqo h GLU 40 N 0.00 0.39 -0.15 1.90 4.81 -1.98 -0.02 114.58 119.52 2jqo h GLU 40 Ca -0.00 -0.12 -0.13 0.00 -0.13 0.00 0.00 59.36 58.98 2jqo h GLU 40 Cb 0.25 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 2jqo h GLU 40 CO 0.02 0.57 -0.45 -0.44 -0.73 0.00 0.00 179.01 177.98 2jqo h ASP 41 N 0.36 0.41 1.33 1.04 3.32 -1.47 -1.78 116.42 119.63 2jqo h ASP 41 Ca 0.06 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.92 2jqo h ASP 41 Cb 0.54 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.98 2jqo h ASP 41 CO 0.04 0.81 0.00 1.88 -1.72 0.00 0.00 179.24 180.24 2jqo h TYR 42 N 0.31 0.00 0.02 4.55 0.05 -0.98 -2.94 116.97 117.98 2jqo h TYR 42 Ca 0.02 0.00 -0.21 0.00 0.05 0.00 0.00 58.73 58.59 2jqo h TYR 42 Cb 0.92 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.64 2jqo h TYR 42 CO 0.03 0.00 -0.97 -0.91 -1.05 0.00 0.00 178.16 175.25 2jqo h ASN 43 N 0.00 0.08 -3.97 3.88 2.35 -0.20 -3.45 115.58 114.27 2jqo h ASN 43 Ca 0.00 -0.08 -0.53 0.00 -0.55 0.00 0.00 56.30 55.14 2jqo h ASN 43 Cb 0.67 -0.03 0.10 0.00 0.05 0.00 0.00 38.32 39.11 2jqo h ASN 43 CO 0.00 1.00 0.65 -0.76 -1.65 0.00 0.00 177.43 176.67 2jqo s LEU 44 N -6.95 4.15 0.87 1.61 1.43 -0.81 -5.01 118.68 113.97 2jqo s LEU 44 Ca -0.00 2.77 -0.12 0.00 -1.03 0.00 0.00 54.13 55.75 2jqo s LEU 44 Cb 0.10 -3.94 0.11 0.00 0.03 0.00 0.00 46.19 42.50 2jqo s LEU 44 CO 0.82 -1.02 1.14 -0.44 0.23 0.00 0.00 176.35 177.07 2jqo s SER 45 N -0.65 3.91 0.19 2.29 0.01 -1.26 -4.67 113.70 113.53 2jqo s SER 45 Ca 0.59 1.00 -0.14 0.00 1.31 0.00 0.00 55.95 58.71 2jqo s SER 45 Cb -0.41 -1.59 0.20 0.00 0.21 0.00 0.00 66.02 64.43 2jqo s SER 45 CO 0.52 -2.30 1.65 -0.08 0.41 0.00 0.00 173.24 173.44 2jqo h GLU 46 N -1.32 0.03 -0.43 12.44 4.81 -1.97 0.36 114.58 128.49 2jqo h GLU 46 Ca -0.49 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.74 2jqo h GLU 46 Cb 1.32 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.67 2jqo h GLU 46 CO 0.62 0.02 0.27 0.78 -0.73 0.00 0.00 179.01 179.97 2jqo h GLY 47 N 0.03 0.61 1.03 1.92 0.00 -1.98 0.15 103.07 104.83 2jqo h GLY 47 Ca 0.27 -0.25 -0.08 0.00 0.00 0.00 0.00 47.33 47.27 2jqo h GLY 47 CO -0.53 0.24 0.04 1.46 0.00 0.00 0.00 176.54 177.75 2jqo h GLN 48 N 0.57 0.94 -0.53 4.80 4.20 -1.61 0.02 115.11 123.50 2jqo h GLN 48 Ca 0.15 -0.28 -0.03 0.00 0.06 0.00 0.00 58.65 58.56 2jqo h GLN 48 Cb -0.02 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 2jqo h GLN 48 CO -0.03 0.93 0.21 1.25 -0.67 0.00 0.00 178.83 180.53 2jqo h LEU 49 N 0.83 0.72 -0.96 1.46 5.85 -0.09 -2.42 115.31 120.69 2jqo h LEU 49 Ca 0.16 -0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.62 2jqo h LEU 49 Cb 0.48 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 2jqo h LEU 49 CO 0.02 0.69 -0.25 -0.03 -0.34 0.00 0.00 178.44 178.53 2jqo h MET 50 N 0.71 0.46 0.00 1.25 4.05 -0.40 0.74 114.93 121.74 2jqo h MET 50 Ca 0.18 -0.17 -0.06 0.00 -0.28 0.00 0.00 59.70 59.37 2jqo h MET 50 Cb 0.19 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.95 2jqo h MET 50 CO -0.02 0.68 -0.27 -0.91 0.23 0.00 0.00 176.91 176.62 2jqo h ASN 51 N 0.40 0.00 0.00 1.39 2.35 -0.76 -1.98 115.58 116.99 2jqo h ASN 51 Ca 0.06 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.69 2jqo h ASN 51 Cb 0.66 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.01 2jqo h ASN 51 CO 0.05 0.27 -0.89 0.50 -1.65 0.00 0.00 177.43 175.71 2jqo h LYS 52 N 0.00 0.00 -1.14 0.81 3.64 -1.00 -3.39 116.57 115.49 2jqo h LYS 52 Ca -0.00 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.78 2jqo h LYS 52 Cb 0.79 0.00 -0.25 0.00 -0.41 0.00 0.00 32.23 32.36 2jqo h LYS 52 CO 0.04 0.52 0.77 1.19 -2.27 0.00 0.00 179.45 179.69 2jqo n PHE 53 N -4.52 2.82 -0.18 1.91 3.72 0.22 -4.70 117.46 116.72 2jqo n PHE 53 Ca -0.20 -2.77 0.13 0.00 -0.05 0.00 0.00 57.45 54.57 2jqo n PHE 53 Cb 0.48 -1.33 0.46 0.00 -0.94 0.00 0.00 39.48 38.14 2jqo n PHE 53 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2jqo h LYS 54 N 1.89 0.49 -0.01 -1.08 1.63 -1.55 0.17 116.57 118.11 2jqo h LYS 54 Ca 0.53 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.30 2jqo h LYS 54 Cb 0.82 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.34 2jqo h LYS 54 CO 1.39 0.33 -0.33 0.09 -3.45 0.00 0.00 179.45 177.48 2jqo n ASN 55 N -4.49 1.19 0.00 4.20 5.03 -1.26 -4.01 115.26 115.92 2jqo n ASN 55 Ca 0.14 -0.98 0.00 0.00 0.87 0.00 0.00 54.58 54.61 2jqo n ASN 55 Cb 0.47 0.23 0.00 0.00 -1.02 0.00 0.00 39.78 39.45 2jqo n ASN 55 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2jqo n ASN 56 N -0.59 1.22 -4.63 6.41 3.02 0.31 -5.00 115.26 116.01 2jqo n ASN 56 Ca 0.11 -1.29 -0.38 0.00 -0.03 0.00 0.00 54.58 52.98 2jqo n ASN 56 Cb 0.37 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.45 2jqo n ASN 56 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2jqo s ILE 57 N -0.29 5.22 -0.14 2.41 2.07 0.34 -0.33 121.20 130.48 2jqo s ILE 57 Ca 0.00 0.52 0.01 0.00 -1.41 0.00 0.00 60.65 59.77 2jqo s ILE 57 Cb 0.00 -3.67 0.02 0.00 0.13 0.00 0.00 42.46 38.94 2jqo s ILE 57 CO 0.00 0.21 -0.15 -0.69 -1.91 0.00 0.00 174.94 172.40 2jqo s VAL 58 N 1.73 1.58 -0.52 4.00 1.01 0.70 -4.02 120.40 124.88 2jqo s VAL 58 Ca 0.14 -0.65 -0.21 0.00 0.00 0.00 0.00 61.98 61.26 2jqo s VAL 58 Cb -0.15 -1.46 0.05 0.00 0.00 0.00 0.00 36.38 34.82 2jqo s VAL 58 CO 0.09 0.46 0.72 -0.63 0.00 0.00 0.00 175.10 175.74 2jqo s ILE 59 N 1.29 4.73 0.09 2.22 1.01 -0.33 -0.45 121.20 129.77 2jqo s ILE 59 Ca 0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 60.65 60.42 2jqo s ILE 59 Cb -0.14 -4.36 -0.04 0.00 0.01 0.00 0.00 42.46 37.93 2jqo s ILE 59 CO -0.07 -0.88 0.26 0.68 0.00 0.00 0.00 174.94 174.93 2jqo s VAL 60 N 3.03 5.32 -0.18 2.92 -7.23 0.10 -2.16 120.40 122.20 2jqo s VAL 60 Ca 0.20 -0.30 -0.17 0.00 -1.81 0.00 0.00 61.98 59.91 2jqo s VAL 60 Cb -0.17 -3.64 -0.04 0.00 0.56 0.00 0.00 36.38 33.09 2jqo s VAL 60 CO 0.14 0.09 0.43 -0.83 -0.31 0.00 0.00 175.10 174.62 2jqo s GLY 61 N -2.55 2.16 -0.21 2.32 0.00 0.37 -1.53 107.32 107.88 2jqo s GLY 61 Ca 0.37 -0.42 0.15 0.00 0.00 0.00 0.00 44.72 44.81 2jqo s GLY 61 CO 0.27 0.82 1.72 1.04 0.00 0.00 0.00 173.10 176.94 2jqo n LEU 62 N 4.27 5.49 0.25 0.66 4.77 0.11 -2.06 117.00 130.50 2jqo n LEU 62 Ca -0.08 -2.85 0.07 0.00 -0.03 0.00 0.00 56.01 53.12 2jqo n LEU 62 Cb 0.51 -0.66 0.60 0.00 -2.33 0.00 0.00 43.42 41.54 2jqo n LEU 62 CO 0.41 0.67 1.01 0.28 -1.33 0.00 0.00 177.39 178.43 2jqo h SER 63 N 3.92 0.00 0.03 -1.43 0.02 -1.87 -2.94 113.55 111.27 2jqo h SER 63 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jqo h SER 63 Cb 1.87 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.41 2jqo h SER 63 CO 0.43 0.06 -0.01 -0.33 -1.14 0.00 0.00 176.83 175.84 2jqo h GLU 64 N 0.00 -0.03 -5.64 3.45 4.39 -1.82 -3.42 114.58 111.51 2jqo h GLU 64 Ca -0.00 0.00 -0.64 0.00 0.34 0.00 0.00 59.36 59.07 2jqo h GLU 64 Cb 0.11 0.01 -0.14 0.00 -0.10 0.00 0.00 28.75 28.63 2jqo h GLU 64 CO 0.01 0.69 0.32 0.42 -1.16 0.00 0.00 179.01 179.29 2jqo s ILE 65 N -2.80 4.65 -1.70 3.13 1.01 -1.11 -4.89 121.20 119.49 2jqo s ILE 65 Ca -0.16 0.24 0.11 0.00 0.00 0.00 0.00 60.65 60.84 2jqo s ILE 65 Cb -0.01 -4.34 0.36 0.00 0.01 0.00 0.00 42.46 38.47 2jqo s ILE 65 CO 0.60 -0.78 1.25 -0.90 0.00 0.00 0.00 174.94 175.11 2jqo n ASP 66 N 6.72 2.34 -1.61 3.58 5.75 -1.26 -3.74 116.55 128.33 2jqo n ASP 66 Ca 0.01 -2.10 -0.15 0.00 -0.01 0.00 0.00 54.79 52.53 2jqo n ASP 66 Cb 0.48 -0.33 0.13 0.00 -1.03 0.00 0.00 41.12 40.37 2jqo n ASP 66 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2jqo n ASN 67 N 0.56 4.01 -0.50 -1.12 5.03 -1.26 -4.73 115.26 117.25 2jqo n ASN 67 Ca 0.13 -3.79 0.12 0.00 0.87 0.00 0.00 54.58 51.92 2jqo n ASN 67 Cb 0.41 -0.61 0.45 0.00 -1.02 0.00 0.00 39.78 39.02 2jqo n ASN 67 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 2jqo n THR 68 N -0.97 0.12 0.90 3.41 -2.24 -1.25 -3.52 114.28 110.72 2jqo n THR 68 Ca 0.41 -0.29 0.14 0.00 -2.27 0.00 0.00 64.05 62.04 2jqo n THR 68 Cb 0.96 0.38 0.55 0.00 -2.10 0.00 0.00 70.33 70.12 2jqo n THR 68 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2jqo n ASP 69 N 0.20 0.23 0.22 3.42 2.03 -1.26 -2.27 116.55 119.13 2jqo n ASP 69 Ca 0.17 0.51 0.09 0.00 0.52 0.00 0.00 54.79 56.08 2jqo n ASP 69 Cb 0.33 -0.56 0.51 0.00 -0.72 0.00 0.00 41.12 40.67 2jqo n ASP 69 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2jqo h ASP 70 N 0.00 0.00 -4.27 1.67 5.19 -1.97 -3.43 116.42 113.60 2jqo h ASP 70 Ca 0.00 0.00 -0.52 0.00 -0.62 0.00 0.00 57.03 55.89 2jqo h ASP 70 Cb 0.57 0.00 0.15 0.00 0.18 0.00 0.00 39.33 40.22 2jqo h ASP 70 CO 0.00 0.24 0.31 -0.76 -3.12 0.00 0.00 179.24 175.90 2jqo s LEU 71 N -7.08 3.06 0.03 1.55 1.43 -0.96 -5.06 118.68 111.66 2jqo s LEU 71 Ca -0.01 2.02 -0.04 0.00 -1.03 0.00 0.00 54.13 55.06 2jqo s LEU 71 Cb 0.11 -4.55 -0.01 0.00 0.03 0.00 0.00 46.19 41.77 2jqo s LEU 71 CO 0.64 -2.31 0.07 -0.75 0.23 0.00 0.00 176.35 174.22 2jqo s LYS 72 N -4.60 0.55 -0.18 1.70 2.20 -1.26 -5.08 119.74 113.06 2jqo s LYS 72 Ca 0.65 -0.76 -0.29 0.00 -0.36 0.00 0.00 55.97 55.20 2jqo s LYS 72 Cb -0.21 0.21 -0.02 0.00 -1.51 0.00 0.00 37.83 36.30 2jqo s LYS 72 CO 0.53 -0.13 1.42 1.03 -0.36 0.00 0.00 175.35 177.85 2jqo s ARG 73 N -2.52 4.08 0.00 4.03 0.52 -1.26 -2.68 118.95 121.12 2jqo s ARG 73 Ca -0.06 1.70 0.00 0.00 -0.52 0.00 0.00 55.73 56.85 2jqo s ARG 73 Cb -0.02 -3.89 0.00 0.00 0.52 0.00 0.00 34.95 31.57 2jqo s ARG 73 CO -0.04 -0.93 0.00 0.41 0.02 0.00 0.00 175.30 174.76 2jqo n GLY 74 N 4.06 1.50 3.69 -3.53 0.00 0.21 -4.97 105.19 106.14 2jqo n GLY 74 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 2jqo n GLY 74 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jqo s GLU 75 N -0.19 2.25 -0.10 1.61 2.12 -1.06 -4.95 118.70 118.38 2jqo s GLU 75 Ca 0.00 -1.64 0.01 0.00 0.36 0.00 0.00 54.97 53.70 2jqo s GLU 75 Cb 0.00 -2.07 0.02 0.00 0.26 0.00 0.00 34.13 32.34 2jqo s GLU 75 CO 0.00 0.12 -0.12 0.21 -0.54 0.00 0.00 175.26 174.93 2jqo s LYS 76 N -3.79 1.87 0.10 4.30 2.20 -1.26 0.27 119.74 123.43 2jqo s LYS 76 Ca 0.36 -0.43 0.05 0.00 -0.36 0.00 0.00 55.97 55.60 2jqo s LYS 76 Cb -0.01 -1.69 -0.03 0.00 -1.51 0.00 0.00 37.83 34.58 2jqo s LYS 76 CO 0.21 -0.12 -0.14 0.96 -0.36 0.00 0.00 175.35 175.91 2jqo s ILE 77 N 1.18 1.21 -0.31 5.43 -4.36 -0.28 -2.51 121.20 121.55 2jqo s ILE 77 Ca -0.04 -1.57 -0.04 0.00 -0.26 0.00 0.00 60.65 58.74 2jqo s ILE 77 Cb -0.14 -1.36 0.04 0.00 1.25 0.00 0.00 42.46 42.25 2jqo s ILE 77 CO -0.03 -0.37 0.05 -0.75 0.24 0.00 0.00 174.94 174.08 2jqo s LYS 78 N -2.37 2.60 0.23 0.37 2.20 -0.48 -0.49 119.74 121.80 2jqo s LYS 78 Ca 0.05 -1.18 0.04 0.00 -0.36 0.00 0.00 55.97 54.53 2jqo s LYS 78 Cb -0.06 -3.32 -0.03 0.00 -1.51 0.00 0.00 37.83 32.91 2jqo s LYS 78 CO 0.02 -0.61 0.36 0.14 -0.36 0.00 0.00 175.35 174.90 2jqo s VAL 79 N 1.35 5.26 -0.08 4.02 -7.23 0.12 0.14 120.40 123.97 2jqo s VAL 79 Ca -0.03 -0.91 0.02 0.00 -1.81 0.00 0.00 61.98 59.26 2jqo s VAL 79 Cb -0.19 -3.84 0.01 0.00 0.56 0.00 0.00 36.38 32.92 2jqo s VAL 79 CO 0.01 -0.31 -0.13 0.26 -0.31 0.00 0.00 175.10 174.62 2jqo s TRP 80 N -1.97 1.60 0.32 2.82 0.51 0.11 -0.62 118.94 121.72 2jqo s TRP 80 Ca 0.35 -0.64 0.04 0.00 -2.12 0.00 0.00 56.10 53.72 2jqo s TRP 80 Cb -0.09 -1.17 -0.04 0.00 -0.81 0.00 0.00 33.47 31.36 2jqo s TRP 80 CO 0.29 -0.34 0.16 -0.59 -0.51 0.00 0.00 176.95 175.97 2jqo s PHE 81 N 0.79 1.66 -0.18 -1.98 -0.12 -0.88 -2.77 117.98 114.49 2jqo s PHE 81 Ca -0.12 -1.36 0.02 0.00 -0.05 0.00 0.00 56.93 55.42 2jqo s PHE 81 Cb -0.16 -0.91 -0.22 0.00 -0.63 0.00 0.00 43.02 41.10 2jqo s PHE 81 CO 0.02 -0.49 0.09 0.72 -0.05 0.00 0.00 175.22 175.52 2jqo n HIS 82 N -0.64 0.52 -3.61 3.49 8.25 -1.26 -0.37 115.22 121.59 2jqo n HIS 82 Ca 0.00 0.12 -0.12 0.00 -0.26 0.00 0.00 57.72 57.47 2jqo n HIS 82 Cb 0.65 -1.07 -0.05 0.00 1.12 0.00 0.00 29.99 30.63 2jqo n HIS 82 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2jqo s THR 83 N -2.54 0.05 -0.06 1.59 -1.32 -1.26 -4.82 115.64 107.29 2jqo s THR 83 Ca -0.25 -0.41 0.06 0.00 -1.21 0.00 0.00 61.69 59.88 2jqo s THR 83 Cb 0.08 -1.04 -0.01 0.00 -1.51 0.00 0.00 72.50 70.01 2jqo s THR 83 CO 0.71 -0.23 -0.23 -0.60 -2.21 0.00 0.00 174.62 172.06 2jqo s ARG 84 N -3.08 2.41 -0.16 7.08 3.52 -1.26 -4.69 118.95 122.76 2jqo s ARG 84 Ca -0.02 -0.83 -0.22 0.00 -0.13 0.00 0.00 55.73 54.53 2jqo s ARG 84 Cb 0.00 -2.03 -0.03 0.00 -1.56 0.00 0.00 34.95 31.34 2jqo s ARG 84 CO -0.07 0.34 0.66 0.21 -0.81 0.00 0.00 175.30 175.63 2jqo s LYS 85 N -0.08 4.28 -1.38 5.12 2.47 0.97 -4.94 119.74 126.19 2jqo s LYS 85 Ca -0.05 0.72 -0.15 0.00 -1.56 0.00 0.00 55.97 54.93 2jqo s LYS 85 Cb -0.14 -3.54 0.06 0.00 -1.46 0.00 0.00 37.83 32.76 2jqo s LYS 85 CO 0.04 -0.16 1.98 0.39 0.16 0.00 0.00 175.35 177.75 2jqo n GLU 86 N 4.72 3.05 0.08 4.03 1.02 -1.26 -1.01 120.64 131.27 2jqo n GLU 86 Ca -0.01 -2.97 0.03 0.00 -0.02 0.00 0.00 57.16 54.19 2jqo n GLU 86 Cb 0.50 -3.35 -0.03 0.00 -0.02 0.00 0.00 31.44 28.55 2jqo n GLU 86 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 2jqo h SER 87 N 6.68 0.00 -4.99 1.62 0.02 -1.90 -3.48 113.55 111.49 2jqo h SER 87 Ca 0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.45 2jqo h SER 87 Cb 0.74 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.25 2jqo h SER 87 CO 1.67 0.43 -1.08 -3.20 -1.14 0.00 0.00 176.83 173.52 2jqo n ASN 88 N -2.96 -6.12 -4.78 3.07 5.15 -1.26 -4.85 115.26 103.51 2jqo n ASN 88 Ca -0.04 1.35 -0.32 0.00 -0.60 0.00 0.00 54.58 54.97 2jqo n ASN 88 Cb 0.75 -5.12 0.05 0.00 -0.53 0.00 0.00 39.78 34.92 2jqo n ASN 88 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2jqo s PRO 89 N -1.36 2.80 0.37 1.20 0.04 -1.26 -5.10 135.00 131.69 2jqo s PRO 89 Ca -0.06 1.24 -0.28 0.00 0.04 0.00 0.00 61.00 61.94 2jqo s PRO 89 Cb 0.00 -1.96 -0.11 0.00 0.04 0.00 0.00 34.50 32.47 2jqo s PRO 89 CO 0.75 -1.23 1.46 -0.35 0.04 0.00 0.00 177.00 177.67 2jqo n PRO 90 N -2.68 2.59 -4.17 0.56 -0.04 -1.26 -4.79 135.00 125.21 2jqo n PRO 90 Ca 0.09 0.91 -0.16 0.00 -0.04 0.00 0.00 63.50 64.30 2jqo n PRO 90 Cb 0.53 -2.62 -0.14 0.00 -0.04 0.00 0.00 33.50 31.23 2jqo n PRO 90 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2jqo s SER 91 N -0.14 0.78 -0.25 3.54 1.04 -0.18 -1.18 113.70 117.31 2jqo s SER 91 Ca 0.54 -0.23 -0.22 0.00 0.48 0.00 0.00 55.95 56.51 2jqo s SER 91 Cb -0.49 -0.05 0.07 0.00 0.10 0.00 0.00 66.02 65.64 2jqo s SER 91 CO 0.63 0.00 0.66 0.00 0.98 0.00 0.00 173.24 175.51 2jqo s ALA 92 N -0.48 -1.63 -0.34 5.32 0.00 -0.92 -0.02 121.76 123.69 2jqo s ALA 92 Ca -0.01 1.89 -0.28 0.00 0.00 0.00 0.00 51.96 53.56 2jqo s ALA 92 Cb -0.04 -1.10 0.02 0.00 0.00 0.00 0.00 23.12 21.99 2jqo s ALA 92 CO 0.00 -0.32 1.03 0.99 0.00 0.00 0.00 175.76 177.47 2jqo s THR 93 N 0.46 4.52 0.05 0.00 2.01 -1.26 -0.47 115.64 120.95 2jqo s THR 93 Ca -0.01 1.58 -0.23 0.00 0.31 0.00 0.00 61.69 63.34 2jqo s THR 93 Cb -0.05 -4.39 -0.06 0.00 0.01 0.00 0.00 72.50 68.01 2jqo s THR 93 CO -0.01 -0.50 0.70 0.27 -0.69 0.00 0.00 174.62 174.39 2jqo s ILE 94 N 3.62 4.74 -0.06 1.82 -4.36 -0.87 -4.78 121.20 121.32 2jqo s ILE 94 Ca 0.43 1.49 0.15 0.00 -0.26 0.00 0.00 60.65 62.45 2jqo s ILE 94 Cb -0.12 -4.04 -0.22 0.00 1.25 0.00 0.00 42.46 39.33 2jqo s ILE 94 CO 0.17 0.42 0.25 0.00 0.24 0.00 0.00 174.94 176.02 2jqo n GLN 95 N 2.54 0.82 -3.89 0.37 6.02 -1.17 -4.61 117.38 117.44 2jqo n GLN 95 Ca -0.05 -0.10 -0.11 0.00 -0.01 0.00 0.00 57.00 56.73 2jqo n GLN 95 Cb 0.50 -1.36 -0.11 0.00 1.02 0.00 0.00 30.24 30.29 2jqo n GLN 95 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2jqo s LYS 96 N -2.85 0.34 0.07 -1.09 1.02 -1.11 -4.89 119.74 111.22 2jqo s LYS 96 Ca -0.06 -0.32 -0.17 0.00 0.02 0.00 0.00 55.97 55.45 2jqo s LYS 96 Cb 0.08 0.14 0.03 0.00 -0.52 0.00 0.00 37.83 37.56 2jqo s LYS 96 CO 0.62 -0.07 0.39 1.52 -0.92 0.00 0.00 175.35 176.89 2jqo s TYR 97 N -1.03 -0.21 -0.28 3.18 -0.85 -1.26 0.10 117.35 117.00 2jqo s TYR 97 Ca -0.11 0.05 -0.02 0.00 -0.52 0.00 0.00 57.07 56.47 2jqo s TYR 97 Cb -0.06 0.21 0.04 0.00 0.38 0.00 0.00 41.96 42.53 2jqo s TYR 97 CO 0.00 -0.61 -0.02 -2.00 -1.52 0.00 0.00 175.55 171.40 2jqo s GLU 98 N -3.00 2.59 -0.30 -3.49 2.12 0.12 -4.94 118.70 111.80 2jqo s GLU 98 Ca -0.02 -1.15 -0.29 0.00 0.36 0.00 0.00 54.97 53.87 2jqo s GLU 98 Cb 0.00 -3.11 -0.01 0.00 0.26 0.00 0.00 34.13 31.28 2jqo s GLU 98 CO -0.06 -0.53 1.51 -1.17 -0.54 0.00 0.00 175.26 174.46 2jqo s LEU 99 N 1.28 3.78 -0.13 2.70 0.20 -1.26 -1.38 118.68 123.87 2jqo s LEU 99 Ca -0.03 1.30 -0.29 0.00 0.69 0.00 0.00 54.13 55.79 2jqo s LEU 99 Cb -0.19 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 42.00 2jqo s LEU 99 CO -0.02 -1.30 1.58 -0.76 -0.29 0.00 0.00 176.35 175.55 2jqo s LEU 100 N 5.22 4.14 -0.13 -0.68 1.43 -1.05 -4.17 118.68 123.45 2jqo s LEU 100 Ca 0.66 1.92 -0.05 0.00 -1.03 0.00 0.00 54.13 55.64 2jqo s LEU 100 Cb -0.20 -3.53 0.02 0.00 0.03 0.00 0.00 46.19 42.51 2jqo s LEU 100 CO 0.29 -1.02 0.09 0.18 0.23 0.00 0.00 176.35 176.12 2jqo n LEU 101 N 7.52 -4.67 -4.69 1.79 7.99 -1.26 -4.89 117.00 118.80 2jqo n LEU 101 Ca 0.17 1.14 -0.43 0.00 -0.01 0.00 0.00 56.01 56.88 2jqo n LEU 101 Cb 0.44 -2.29 -0.03 0.00 -0.11 0.00 0.00 43.42 41.42 2jqo n LEU 101 CO 0.62 -2.12 1.45 -0.62 -1.51 0.00 0.00 177.39 175.21 2jqo n GLU 102 N 0.77 2.71 -0.09 3.23 1.02 -1.26 -4.88 120.64 122.13 2jqo n GLU 102 Ca -0.16 0.98 -0.07 0.00 -0.02 0.00 0.00 57.16 57.89 2jqo n GLU 102 Cb 0.25 -2.86 0.00 0.00 -0.02 0.00 0.00 31.44 28.81 2jqo n GLU 102 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2jqo h HIS 103 N 8.24 0.20 -5.41 -0.32 3.86 -1.94 -3.48 115.15 116.30 2jqo h HIS 103 Ca -0.46 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 58.72 2jqo h HIS 103 Cb 1.23 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.66 2jqo h HIS 103 CO 0.77 0.09 -0.63 0.72 0.86 0.00 0.00 177.93 179.73 2jqo n HIS 104 N -5.02 -3.42 0.46 2.45 8.25 -1.26 -4.92 115.22 111.75 2jqo n HIS 104 Ca 0.00 1.40 0.12 0.00 -0.26 0.00 0.00 57.72 58.98 2jqo n HIS 104 Cb 0.11 -3.81 0.16 0.00 1.12 0.00 0.00 29.99 27.57 2jqo n HIS 104 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2jqo h HIS 105 N 2.14 0.00 -2.93 4.41 3.86 -2.04 -3.37 115.15 117.21 2jqo h HIS 105 Ca -0.06 0.00 -0.69 0.00 -1.16 0.00 0.00 60.37 58.46 2jqo h HIS 105 Cb 0.94 0.00 -0.19 0.00 1.06 0.00 0.00 27.41 29.23 2jqo h HIS 105 CO 0.08 0.00 0.16 -1.01 0.86 0.00 0.00 177.93 178.02 2jqo s HIS 106 N -3.20 2.97 -0.35 2.45 3.76 -1.26 -5.04 115.29 114.61 2jqo s HIS 106 Ca 0.05 -0.84 -0.17 0.00 -0.15 0.00 0.00 55.06 53.96 2jqo s HIS 106 Cb 0.12 -3.97 -0.01 0.00 1.11 0.00 0.00 32.58 29.83 2jqo s HIS 106 CO 0.72 -1.30 0.43 -1.58 -0.85 0.00 0.00 174.74 172.17 2jqo s HIS 107 N 2.85 3.19 0.00 1.40 2.46 -1.26 -5.12 115.29 118.80 2jqo s HIS 107 Ca 0.13 0.03 0.00 0.00 0.47 0.00 0.00 55.06 55.69 2jqo s HIS 107 Cb -0.22 -2.80 0.00 0.00 -0.13 0.00 0.00 32.58 29.42 2jqo s HIS 107 CO 0.08 -0.50 0.19 -2.39 -2.47 0.00 0.00 174.74 169.64