#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqe n MET 17 N 0.00 0.80 -4.19 -0.41 0.00 -1.22 -4.27 117.12 107.83 1sqe n MET 17 Ca 0.00 0.30 -0.16 0.00 0.00 0.00 0.00 57.70 57.84 1sqe n MET 17 Cb 0.00 -1.81 -0.13 0.00 0.00 0.00 0.00 33.22 31.28 1sqe n MET 17 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 175.97 176.09 1sqe s PHE 18 N -1.51 0.66 -0.06 2.03 5.36 -0.10 -1.26 117.98 123.11 1sqe s PHE 18 Ca 0.67 -0.25 0.03 0.00 -0.96 0.00 0.00 56.93 56.42 1sqe s PHE 18 Cb -0.51 -0.41 0.01 0.00 -0.34 0.00 0.00 43.02 41.76 1sqe s PHE 18 CO 0.55 -0.03 -0.14 1.41 -1.46 0.00 0.00 175.22 175.55 1sqe s MET 19 N -0.67 1.75 0.08 10.12 -2.45 -0.43 0.13 119.30 127.82 1sqe s MET 19 Ca -0.01 -0.49 0.06 0.00 -1.25 0.00 0.00 55.69 54.00 1sqe s MET 19 Cb -0.05 -1.46 -0.04 0.00 1.25 0.00 0.00 34.83 34.53 1sqe s MET 19 CO 0.00 0.10 -0.08 0.00 1.05 0.00 0.00 175.02 176.09 1sqe s ALA 20 N 0.43 3.00 -0.03 4.11 0.00 -0.35 -0.45 121.76 128.47 1sqe s ALA 20 Ca -0.11 -1.18 0.01 0.00 0.00 0.00 0.00 51.96 50.69 1sqe s ALA 20 Cb -0.14 -0.98 0.01 0.00 0.00 0.00 0.00 23.12 22.01 1sqe s ALA 20 CO 0.03 0.64 -0.04 -2.00 0.00 0.00 0.00 175.76 174.39 1sqe s GLU 21 N -2.01 0.64 -0.25 0.00 2.12 0.28 -1.45 118.70 118.03 1sqe s GLU 21 Ca 0.21 -0.11 -0.04 0.00 0.36 0.00 0.00 54.97 55.38 1sqe s GLU 21 Cb -0.11 -0.66 0.01 0.00 0.26 0.00 0.00 34.13 33.62 1sqe s GLU 21 CO 0.13 -0.02 -0.01 -0.80 -0.54 0.00 0.00 175.26 174.02 1sqe s ASN 22 N 0.59 4.58 -0.29 -1.70 0.01 -0.61 -1.45 114.94 116.06 1sqe s ASN 22 Ca -0.07 -0.62 -0.08 0.00 -0.71 0.00 0.00 52.86 51.38 1sqe s ASN 22 Cb -0.11 -1.77 -0.01 0.00 0.41 0.00 0.00 41.25 39.78 1sqe s ASN 22 CO -0.00 -0.10 0.11 -0.60 -1.51 0.00 0.00 177.10 175.00 1sqe s ARG 23 N 1.45 3.42 -0.18 -0.60 3.52 0.12 -0.99 118.95 125.68 1sqe s ARG 23 Ca 0.03 -0.65 -0.04 0.00 -0.13 0.00 0.00 55.73 54.95 1sqe s ARG 23 Cb -0.16 -3.45 -0.02 0.00 -1.56 0.00 0.00 34.95 29.76 1sqe s ARG 23 CO -0.02 -0.34 -0.04 -0.51 -0.81 0.00 0.00 175.30 173.58 1sqe s LEU 24 N 1.60 3.10 -0.10 -0.88 1.43 0.27 -0.93 118.68 123.16 1sqe s LEU 24 Ca 0.05 -0.23 -0.14 0.00 -1.03 0.00 0.00 54.13 52.78 1sqe s LEU 24 Cb -0.16 -1.76 -0.05 0.00 0.03 0.00 0.00 46.19 44.25 1sqe s LEU 24 CO 0.05 0.10 0.34 -1.10 0.23 0.00 0.00 176.35 175.97 1sqe s GLN 25 N 0.76 4.10 0.09 1.70 -1.52 -0.71 -1.49 119.66 122.59 1sqe s GLN 25 Ca -0.02 0.23 0.02 0.00 -1.95 0.00 0.00 55.36 53.64 1sqe s GLN 25 Cb -0.15 -3.35 -0.04 0.00 -0.22 0.00 0.00 33.01 29.26 1sqe s GLN 25 CO 0.02 0.41 -0.08 -0.51 -0.25 0.00 0.00 175.29 174.88 1sqe s LEU 26 N -0.09 2.43 0.25 2.90 1.43 0.96 -0.34 118.68 126.23 1sqe s LEU 26 Ca 0.20 -0.87 -0.31 0.00 -1.03 0.00 0.00 54.13 52.12 1sqe s LEU 26 Cb -0.14 -0.15 -0.13 0.00 0.03 0.00 0.00 46.19 45.80 1sqe s LEU 26 CO 0.08 -0.36 1.49 1.67 0.23 0.00 0.00 176.35 179.46 1sqe n GLN 27 N 0.41 2.29 -1.64 1.70 7.27 -0.87 -0.33 117.38 126.20 1sqe n GLN 27 Ca -0.15 0.82 -0.46 0.00 0.07 0.00 0.00 57.00 57.27 1sqe n GLN 27 Cb 0.59 -2.53 -0.04 0.00 2.41 0.00 0.00 30.24 30.67 1sqe n GLN 27 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1sqe n LYS 28 N 2.22 1.79 0.00 3.69 3.00 -1.26 -1.94 118.16 125.66 1sqe n LYS 28 Ca 0.11 0.64 0.00 0.00 -0.00 0.00 0.00 58.31 59.06 1sqe n LYS 28 Cb 0.33 -2.28 0.00 0.00 0.00 0.00 0.00 35.03 33.08 1sqe n LYS 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1sqe n GLY 29 N 2.39 1.12 0.91 3.14 0.00 -1.26 -4.93 105.19 106.55 1sqe n GLY 29 Ca 0.14 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.27 1sqe n GLY 29 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sqe n SER 30 N 0.00 2.71 0.19 1.61 3.41 -0.82 -4.55 113.62 116.17 1sqe n SER 30 Ca 0.00 -1.89 -0.15 0.00 -0.26 0.00 0.00 58.87 56.57 1sqe n SER 30 Cb 0.00 -0.19 -0.07 0.00 -0.26 0.00 0.00 64.21 63.69 1sqe n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sqe h ALA 31 N 4.31 -0.72 -0.38 7.33 0.00 -1.92 -1.59 119.26 126.28 1sqe h ALA 31 Ca 0.00 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.88 1sqe h ALA 31 Cb 0.78 0.54 -0.06 0.00 0.00 0.00 0.00 17.79 19.04 1sqe h ALA 31 CO 0.00 -0.95 -0.01 0.93 0.00 0.00 0.00 179.25 179.21 1sqe h GLU 32 N -0.69 0.08 -0.57 0.00 3.07 -2.00 -1.14 114.58 113.33 1sqe h GLU 32 Ca -0.01 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.83 1sqe h GLU 32 Cb 0.65 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.51 1sqe h GLU 32 CO -0.11 0.06 0.27 1.49 -1.40 0.00 0.00 179.01 179.32 1sqe h GLU 33 N 0.09 0.80 -0.37 2.33 4.81 -1.84 -2.61 114.58 117.79 1sqe h GLU 33 Ca 0.19 -0.10 -0.10 0.00 -0.13 0.00 0.00 59.36 59.22 1sqe h GLU 33 Cb 0.26 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1sqe h GLU 33 CO -0.32 0.62 -0.17 1.15 -0.73 0.00 0.00 179.01 179.56 1sqe h THR 34 N 0.80 1.28 -0.48 0.32 2.02 -0.48 -2.72 112.91 113.65 1sqe h THR 34 Ca 0.20 -1.29 0.01 0.00 0.77 0.00 0.00 66.41 66.10 1sqe h THR 34 Cb 0.08 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 1sqe h THR 34 CO -0.03 0.43 0.32 0.40 0.37 0.00 0.00 175.52 177.01 1sqe h ILE 35 N 0.57 1.10 -0.12 3.11 2.04 -0.97 -0.78 117.51 122.45 1sqe h ILE 35 Ca 0.08 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 1sqe h ILE 35 Cb 0.71 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1sqe h ILE 35 CO 0.05 0.11 0.05 -0.33 0.00 0.00 0.00 178.15 178.03 1sqe h GLU 36 N 0.62 0.16 0.00 2.37 5.08 -1.15 -0.06 114.58 121.60 1sqe h GLU 36 Ca 0.18 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1sqe h GLU 36 Cb -0.02 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1sqe h GLU 36 CO -0.04 0.13 0.00 0.54 -1.00 0.00 0.00 179.01 178.64 1sqe n ARG 37 N -4.49 0.23 -0.17 2.33 1.74 -0.30 -2.80 116.66 113.20 1sqe n ARG 37 Ca -0.01 0.12 0.05 0.00 -0.77 0.00 0.00 57.85 57.24 1sqe n ARG 37 Cb 0.11 -1.50 0.14 0.00 -1.02 0.00 0.00 32.46 30.19 1sqe n ARG 37 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1sqe n PHE 38 N -1.30 0.44 0.20 -1.55 3.72 -0.04 -4.45 117.46 114.48 1sqe n PHE 38 Ca 0.08 -0.52 0.06 0.00 -0.05 0.00 0.00 57.45 57.03 1sqe n PHE 38 Cb 0.15 -0.04 0.41 0.00 -0.94 0.00 0.00 39.48 39.06 1sqe n PHE 38 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 176.76 178.59 1sqe h TYR 39 N 1.81 0.00 -3.37 1.38 0.05 -1.55 -3.38 116.97 111.91 1sqe h TYR 39 Ca 0.00 0.00 -0.62 0.00 0.05 0.00 0.00 58.73 58.16 1sqe h TYR 39 Cb 0.74 0.00 -0.13 0.00 1.01 0.00 0.00 36.73 38.36 1sqe h TYR 39 CO 0.22 0.32 0.48 1.21 -1.05 0.00 0.00 178.16 179.34 1sqe s ASN 40 N -6.46 6.37 0.16 3.88 3.84 -1.26 -4.89 114.94 116.57 1sqe s ASN 40 Ca -0.01 -0.28 0.22 0.00 0.21 0.00 0.00 52.86 52.99 1sqe s ASN 40 Cb 0.12 -2.41 0.87 0.00 -0.55 0.00 0.00 41.25 39.28 1sqe s ASN 40 CO 0.67 -1.10 1.66 0.54 -2.79 0.00 0.00 177.10 176.08 1sqe n ARG 41 N 7.14 0.13 -3.74 0.43 1.74 -1.26 -4.91 116.66 116.19 1sqe n ARG 41 Ca 0.02 0.32 -0.26 0.00 -0.77 0.00 0.00 57.85 57.15 1sqe n ARG 41 Cb 0.48 -1.73 0.05 0.00 -1.02 0.00 0.00 32.46 30.24 1sqe n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1sqe n GLN 42 N -1.97 -6.41 -1.10 5.56 10.64 -1.26 -2.62 117.38 120.23 1sqe n GLN 42 Ca 0.03 0.70 -0.03 0.00 -1.83 0.00 0.00 57.00 55.87 1sqe n GLN 42 Cb 0.24 -5.62 -0.01 0.00 -0.86 0.00 0.00 30.24 23.99 1sqe n GLN 42 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1sqe n GLY 43 N -1.75 0.64 0.36 2.61 0.00 -1.26 -4.47 105.19 101.31 1sqe n GLY 43 Ca -0.04 -0.45 0.04 0.00 0.00 0.00 0.00 46.02 45.57 1sqe n GLY 43 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1sqe h ILE 44 N 0.00 1.08 0.00 -0.61 2.10 -1.90 -1.79 117.51 116.39 1sqe h ILE 44 Ca -0.07 -0.33 0.00 0.00 1.08 0.00 0.00 64.86 65.54 1sqe h ILE 44 Cb 0.35 0.04 0.00 0.00 -1.09 0.00 0.00 36.82 36.12 1sqe h ILE 44 CO 0.10 0.17 0.00 -1.84 -1.08 0.00 0.00 178.15 175.51 1sqe n GLU 45 N -4.47 0.06 0.00 2.19 0.00 -1.26 -1.75 120.64 115.41 1sqe n GLU 45 Ca 0.12 0.24 0.14 0.00 0.00 0.00 0.00 57.16 57.66 1sqe n GLU 45 Cb 0.17 -1.50 0.54 0.00 0.00 0.00 0.00 31.44 30.66 1sqe n GLU 45 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1sqe n THR 46 N -1.42 0.00 -3.07 3.84 -2.24 -0.67 -4.82 114.28 105.90 1sqe n THR 46 Ca 0.04 -0.03 -0.40 0.00 -2.27 0.00 0.00 64.05 61.39 1sqe n THR 46 Cb 0.13 -0.15 -0.05 0.00 -2.10 0.00 0.00 70.33 68.16 1sqe n THR 46 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1sqe s ILE 47 N -2.73 5.01 0.06 2.28 -1.09 -0.72 -5.01 121.20 119.00 1sqe s ILE 47 Ca 0.21 1.32 -0.33 0.00 -2.23 0.00 0.00 60.65 59.63 1sqe s ILE 47 Cb 0.19 -4.00 -0.12 0.00 -1.58 0.00 0.00 42.46 36.96 1sqe s ILE 47 CO 0.54 0.13 1.80 1.21 -1.23 0.00 0.00 174.94 177.39 1sqe n GLU 48 N 4.75 2.45 0.00 2.79 4.07 -1.26 -1.82 120.64 131.61 1sqe n GLU 48 Ca -0.00 0.89 0.00 0.00 -0.06 0.00 0.00 57.16 57.99 1sqe n GLU 48 Cb 0.50 -2.75 0.00 0.00 -0.06 0.00 0.00 31.44 29.13 1sqe n GLU 48 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1sqe n GLY 49 N 4.11 2.12 3.76 8.31 0.00 -1.26 -4.72 105.19 117.51 1sqe n GLY 49 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1sqe n GLY 49 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1sqe s PHE 50 N -2.46 3.18 0.01 1.61 5.36 -0.76 -0.73 117.98 124.19 1sqe s PHE 50 Ca 0.00 1.34 0.00 0.00 -0.96 0.00 0.00 56.93 57.31 1sqe s PHE 50 Cb 0.00 -3.62 0.00 0.00 -0.34 0.00 0.00 43.02 39.06 1sqe s PHE 50 CO 0.00 -1.80 0.00 1.04 -1.46 0.00 0.00 175.22 173.00 1sqe n GLN 51 N 1.59 0.00 -3.76 10.12 6.02 0.00 -4.90 117.38 126.46 1sqe n GLN 51 Ca 0.03 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.92 1sqe n GLN 51 Cb 0.42 -0.45 -0.06 0.00 1.02 0.00 0.00 30.24 31.18 1sqe n GLN 51 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1sqe s GLN 52 N -2.00 0.94 -0.01 -1.09 -0.21 -1.08 -4.98 119.66 111.23 1sqe s GLN 52 Ca 0.00 -0.85 0.02 0.00 0.02 0.00 0.00 55.36 54.55 1sqe s GLN 52 Cb 0.00 0.40 0.00 0.00 1.00 0.00 0.00 33.01 34.41 1sqe s GLN 52 CO 0.00 -0.33 -0.05 1.41 -2.12 0.00 0.00 175.29 174.20 1sqe s MET 53 N -3.83 0.52 -0.04 2.91 -2.45 -1.26 -0.24 119.30 114.92 1sqe s MET 53 Ca 0.04 -0.17 0.02 0.00 -1.25 0.00 0.00 55.69 54.33 1sqe s MET 53 Cb 0.04 -0.52 0.01 0.00 1.25 0.00 0.00 34.83 35.61 1sqe s MET 53 CO -0.11 0.08 -0.08 -0.06 1.05 0.00 0.00 175.02 175.89 1sqe s PHE 54 N 0.11 0.96 -0.20 4.11 0.08 0.38 -5.00 117.98 118.43 1sqe s PHE 54 Ca -0.01 -0.27 0.01 0.00 0.12 0.00 0.00 56.93 56.78 1sqe s PHE 54 Cb -0.05 -0.73 0.03 0.00 -0.57 0.00 0.00 43.02 41.70 1sqe s PHE 54 CO -0.00 -0.16 -0.18 0.08 -0.10 0.00 0.00 175.22 174.86 1sqe s VAL 55 N 0.49 2.08 0.28 -0.44 1.01 -1.26 -0.39 120.40 122.18 1sqe s VAL 55 Ca -0.08 -1.08 0.11 0.00 0.00 0.00 0.00 61.98 60.93 1sqe s VAL 55 Cb -0.12 -1.94 -0.05 0.00 0.00 0.00 0.00 36.38 34.27 1sqe s VAL 55 CO 0.01 0.42 -0.16 0.42 0.00 0.00 0.00 175.10 175.79 1sqe s THR 56 N 1.25 2.65 -0.14 3.92 -4.23 -0.12 -4.95 115.64 114.03 1sqe s THR 56 Ca 0.02 -2.31 0.02 0.00 -1.18 0.00 0.00 61.69 58.24 1sqe s THR 56 Cb -0.14 -2.41 0.01 0.00 1.34 0.00 0.00 72.50 71.30 1sqe s THR 56 CO -0.11 -0.39 -0.21 -0.75 -0.54 0.00 0.00 174.62 172.62 1sqe s LYS 57 N -3.54 2.89 0.05 3.99 2.20 -1.26 -1.70 119.74 122.37 1sqe s LYS 57 Ca 0.30 -0.81 -0.30 0.00 -0.36 0.00 0.00 55.97 54.80 1sqe s LYS 57 Cb -0.05 -2.35 -0.05 0.00 -1.51 0.00 0.00 37.83 33.87 1sqe s LYS 57 CO 0.16 -0.02 1.19 0.99 -0.36 0.00 0.00 175.35 177.30 1sqe s THR 58 N 0.85 4.10 0.48 3.43 2.01 -0.49 -5.01 115.64 121.01 1sqe s THR 58 Ca -0.07 1.50 -0.07 0.00 0.31 0.00 0.00 61.69 63.37 1sqe s THR 58 Cb -0.15 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.35 1sqe s THR 58 CO -0.02 0.10 0.82 -0.76 -0.69 0.00 0.00 174.62 174.07 1sqe s LEU 59 N 1.18 3.61 -1.47 4.42 1.43 -1.26 -4.40 118.68 122.20 1sqe s LEU 59 Ca 0.58 1.04 -0.08 0.00 -1.03 0.00 0.00 54.13 54.65 1sqe s LEU 59 Cb -0.28 -3.99 0.02 0.00 0.03 0.00 0.00 46.19 41.96 1sqe s LEU 59 CO 0.28 -0.58 0.82 0.59 0.23 0.00 0.00 176.35 177.70 1sqe n ASN 60 N -2.13 -5.84 -4.91 2.29 3.02 -1.26 -5.01 115.26 101.43 1sqe n ASN 60 Ca 0.02 -0.43 -0.29 0.00 -0.03 0.00 0.00 54.58 53.85 1sqe n ASN 60 Cb 0.55 -4.67 -0.03 0.00 -0.61 0.00 0.00 39.78 35.01 1sqe n ASN 60 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1sqe s THR 61 N -3.21 5.04 0.00 3.41 -4.23 -1.26 -5.07 115.64 110.32 1sqe s THR 61 Ca 0.45 0.03 0.00 0.00 -1.18 0.00 0.00 61.69 60.98 1sqe s THR 61 Cb -0.20 -3.73 0.00 0.00 1.34 0.00 0.00 72.50 69.90 1sqe s THR 61 CO 0.55 -0.31 0.00 -0.62 -0.54 0.00 0.00 174.62 173.71 1sqe n GLU 62 N -0.90 0.00 0.07 3.99 4.71 -1.26 -4.82 120.64 122.43 1sqe n GLU 62 Ca -0.02 0.04 0.12 0.00 -0.01 0.00 0.00 57.16 57.29 1sqe n GLU 62 Cb 0.54 -0.54 0.18 0.00 -1.01 0.00 0.00 31.44 30.61 1sqe n GLU 62 CO 0.00 0.00 0.00 0.38 0.09 0.00 0.00 177.13 177.60 1sqe h ASP 63 N 0.00 0.00 -5.30 1.62 3.04 -2.00 -3.48 116.42 110.30 1sqe h ASP 63 Ca 0.00 -0.17 -0.11 0.00 -3.24 0.00 0.00 57.03 53.50 1sqe h ASP 63 Cb 0.00 0.00 -0.12 0.00 -1.04 0.00 0.00 39.33 38.17 1sqe h ASP 63 CO 0.00 0.09 -0.34 0.42 -2.04 0.00 0.00 179.24 177.37 1sqe s THR 64 N -3.18 0.05 0.19 1.15 -4.23 -1.26 -4.23 115.64 104.13 1sqe s THR 64 Ca 0.06 -1.48 0.04 0.00 -1.18 0.00 0.00 61.69 59.13 1sqe s THR 64 Cb 0.13 -1.98 -0.03 0.00 1.34 0.00 0.00 72.50 71.96 1sqe s THR 64 CO 0.72 -0.23 0.25 -1.81 -0.54 0.00 0.00 174.62 173.00 1sqe s ASP 65 N -3.00 5.98 -0.04 3.99 -0.00 0.55 -4.76 116.67 119.38 1sqe s ASP 65 Ca 0.21 -0.00 -0.00 0.00 -0.00 0.00 0.00 52.55 52.75 1sqe s ASP 65 Cb 0.03 -1.69 0.03 0.00 -0.00 0.00 0.00 42.92 41.29 1sqe s ASP 65 CO 0.03 0.01 0.01 -0.70 -0.00 0.00 0.00 175.17 174.52 1sqe s GLU 66 N -3.46 0.32 -0.04 8.23 2.12 -1.26 -0.03 118.70 124.58 1sqe s GLU 66 Ca 0.33 0.13 0.06 0.00 0.36 0.00 0.00 54.97 55.85 1sqe s GLU 66 Cb -0.10 -0.60 -0.01 0.00 0.26 0.00 0.00 34.13 33.68 1sqe s GLU 66 CO 0.27 -0.20 -0.22 0.08 -0.54 0.00 0.00 175.26 174.65 1sqe s VAL 67 N 1.42 1.77 -0.05 3.70 1.01 -0.56 -1.40 120.40 126.30 1sqe s VAL 67 Ca -0.04 -0.92 0.06 0.00 0.00 0.00 0.00 61.98 61.07 1sqe s VAL 67 Cb -0.13 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 1sqe s VAL 67 CO -0.03 0.50 -0.23 -0.54 0.00 0.00 0.00 175.10 174.81 1sqe s LYS 68 N -0.21 2.22 -0.35 2.72 1.02 -0.69 -0.57 119.74 123.89 1sqe s LYS 68 Ca 0.00 -0.82 -0.03 0.00 0.02 0.00 0.00 55.97 55.14 1sqe s LYS 68 Cb -0.11 -1.94 0.07 0.00 -0.52 0.00 0.00 37.83 35.32 1sqe s LYS 68 CO 0.02 0.38 0.10 0.42 -0.92 0.00 0.00 175.35 175.34 1sqe s ILE 69 N -0.20 3.29 -0.20 2.17 1.09 -0.16 -0.94 121.20 126.25 1sqe s ILE 69 Ca -0.01 -1.54 -0.07 0.00 -1.10 0.00 0.00 60.65 57.93 1sqe s ILE 69 Cb -0.12 -3.01 -0.04 0.00 -1.06 0.00 0.00 42.46 38.23 1sqe s ILE 69 CO 0.02 -0.32 0.05 -0.76 -0.10 0.00 0.00 174.94 173.84 1sqe s LEU 70 N 1.25 3.63 -0.08 2.97 1.43 0.48 -1.57 118.68 126.80 1sqe s LEU 70 Ca 0.00 -0.03 0.05 0.00 -1.03 0.00 0.00 54.13 53.12 1sqe s LEU 70 Cb -0.21 -1.93 -0.01 0.00 0.03 0.00 0.00 46.19 44.08 1sqe s LEU 70 CO -0.01 0.11 -0.24 0.42 0.23 0.00 0.00 176.35 176.85 1sqe s THR 71 N 0.75 2.05 -0.17 5.49 -4.23 -0.53 -0.47 115.64 118.54 1sqe s THR 71 Ca 0.03 -1.04 -0.07 0.00 -1.18 0.00 0.00 61.69 59.43 1sqe s THR 71 Cb -0.14 -1.75 -0.04 0.00 1.34 0.00 0.00 72.50 71.91 1sqe s THR 71 CO 0.02 0.56 0.06 -0.63 -0.54 0.00 0.00 174.62 174.09 1sqe s ILE 72 N 0.10 4.75 0.12 2.99 -1.09 0.67 -1.21 121.20 127.53 1sqe s ILE 72 Ca -0.11 -0.05 0.03 0.00 -2.23 0.00 0.00 60.65 58.29 1sqe s ILE 72 Cb -0.16 -3.12 -0.04 0.00 -1.58 0.00 0.00 42.46 37.56 1sqe s ILE 72 CO 0.06 0.49 -0.09 0.26 -1.23 0.00 0.00 174.94 174.43 1sqe s TRP 73 N 0.16 1.09 0.36 3.97 0.52 0.12 -0.82 118.94 124.34 1sqe s TRP 73 Ca 0.04 -0.76 0.09 0.00 0.02 0.00 0.00 56.10 55.49 1sqe s TRP 73 Cb -0.12 -0.58 0.68 0.00 -1.15 0.00 0.00 33.47 32.30 1sqe s TRP 73 CO 0.01 -0.01 1.84 1.49 0.02 0.00 0.00 176.95 180.30 1sqe h GLU 74 N 3.11 0.20 -2.78 4.98 4.81 -1.21 -0.23 114.58 123.46 1sqe h GLU 74 Ca -0.36 -0.06 0.07 0.00 -0.13 0.00 0.00 59.36 58.87 1sqe h GLU 74 Cb 1.18 -0.02 -0.09 0.00 0.63 0.00 0.00 28.75 30.45 1sqe h GLU 74 CO 0.60 0.44 0.31 -1.54 -0.73 0.00 0.00 179.01 178.09 1sqe s SER 75 N -6.89 -0.35 0.30 1.04 1.04 -1.26 -3.45 113.70 104.13 1sqe s SER 75 Ca -0.05 -0.30 0.03 0.00 0.48 0.00 0.00 55.95 56.11 1sqe s SER 75 Cb 0.15 0.60 0.48 0.00 0.10 0.00 0.00 66.02 67.35 1sqe s SER 75 CO 0.74 -1.05 1.79 -0.08 0.98 0.00 0.00 173.24 175.62 1sqe h GLU 76 N 2.00 0.53 -0.74 4.02 4.81 -1.89 -2.52 114.58 120.79 1sqe h GLU 76 Ca -0.25 -0.15 0.02 0.00 -0.13 0.00 0.00 59.36 58.84 1sqe h GLU 76 Cb 1.26 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.55 1sqe h GLU 76 CO 0.29 0.64 0.49 0.22 -0.73 0.00 0.00 179.01 179.92 1sqe h ASP 77 N 0.49 0.82 -0.46 1.04 3.58 -1.98 -0.39 116.42 119.52 1sqe h ASP 77 Ca 0.09 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 1sqe h ASP 77 Cb 0.51 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.34 1sqe h ASP 77 CO 0.03 0.58 0.24 0.28 -2.88 0.00 0.00 179.24 177.49 1sqe h SER 78 N 0.96 0.58 -0.33 2.28 0.02 -1.74 0.11 113.55 115.44 1sqe h SER 78 Ca 0.28 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1sqe h SER 78 Cb -0.05 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 1sqe h SER 78 CO -0.07 0.52 0.20 0.15 -1.14 0.00 0.00 176.83 176.49 1sqe h PHE 79 N 0.60 0.43 -0.62 3.45 3.57 -1.24 -2.00 116.94 121.13 1sqe h PHE 79 Ca 0.16 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 1sqe h PHE 79 Cb 0.08 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 1sqe h PHE 79 CO -0.02 0.31 0.30 -0.91 -2.23 0.00 0.00 178.31 175.76 1sqe h ASN 80 N 0.43 0.79 -0.15 0.41 2.35 -0.72 -1.73 115.58 116.95 1sqe h ASN 80 Ca 0.12 -0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 55.75 1sqe h ASN 80 Cb 0.01 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 1sqe h ASN 80 CO -0.02 0.67 -0.01 0.78 -1.65 0.00 0.00 177.43 177.20 1sqe h ASN 81 N 0.87 0.38 -0.12 5.81 2.35 -0.21 -2.45 115.58 122.22 1sqe h ASN 81 Ca 0.22 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.90 1sqe h ASN 81 Cb 0.09 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1sqe h ASN 81 CO -0.03 0.45 0.04 -0.25 -1.65 0.00 0.00 177.43 176.00 1sqe h TRP 82 N 0.39 0.18 -0.01 1.19 7.01 -0.62 -2.27 115.95 121.82 1sqe h TRP 82 Ca 0.09 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.08 1sqe h TRP 82 Cb 0.28 -0.05 -0.00 0.00 -2.10 0.00 0.00 29.16 27.29 1sqe h TRP 82 CO 0.01 0.28 0.01 -0.07 -2.79 0.00 0.00 178.44 175.88 1sqe h LEU 83 N 0.03 0.00 -3.06 0.65 3.38 -1.10 -1.85 115.31 113.35 1sqe h LEU 83 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1sqe h LEU 83 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1sqe h LEU 83 CO -0.00 0.00 0.00 -3.20 0.09 0.00 0.00 178.44 175.33 1sqe n ASN 84 N -4.02 3.95 -4.87 -0.43 5.15 -0.99 -4.73 115.26 109.32 1sqe n ASN 84 Ca -0.03 -2.40 -0.30 0.00 -0.60 0.00 0.00 54.58 51.25 1sqe n ASN 84 Cb 0.10 -0.46 -0.03 0.00 -0.53 0.00 0.00 39.78 38.86 1sqe n ASN 84 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1sqe s SER 85 N -1.16 6.50 0.18 1.20 1.04 -0.70 -4.96 113.70 115.79 1sqe s SER 85 Ca 0.40 1.17 -0.10 0.00 0.48 0.00 0.00 55.95 57.91 1sqe s SER 85 Cb 0.26 -2.34 0.07 0.00 0.10 0.00 0.00 66.02 64.11 1sqe s SER 85 CO 0.19 -0.46 1.67 0.44 0.98 0.00 0.00 173.24 176.06 1sqe h ASP 86 N 1.05 0.99 -0.54 7.02 3.32 -1.91 -1.02 116.42 125.34 1sqe h ASP 86 Ca -0.47 -0.27 0.01 0.00 0.02 0.00 0.00 57.03 56.32 1sqe h ASP 86 Cb 1.19 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 40.45 1sqe h ASP 86 CO 0.63 1.01 0.36 1.62 -1.72 0.00 0.00 179.24 181.14 1sqe h VAL 87 N 0.94 1.12 -0.01 -1.35 3.04 -1.92 0.11 116.25 118.19 1sqe h VAL 87 Ca 0.19 -0.24 -0.07 0.00 -1.01 0.00 0.00 66.70 65.56 1sqe h VAL 87 Cb 0.45 0.35 0.01 0.00 -2.01 0.00 0.00 31.29 30.09 1sqe h VAL 87 CO 0.01 0.13 -0.28 0.15 -1.01 0.00 0.00 177.57 176.57 1sqe h PHE 88 N 0.70 0.30 0.00 3.17 3.57 -1.71 -2.47 116.94 120.51 1sqe h PHE 88 Ca 0.20 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1sqe h PHE 88 Cb -0.04 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.66 1sqe h PHE 88 CO -0.00 0.95 0.00 1.63 -2.23 0.00 0.00 178.31 178.66 1sqe n LYS 89 N -4.48 0.00 -0.00 1.11 5.02 -0.41 -2.47 118.16 116.92 1sqe n LYS 89 Ca -0.10 0.32 0.01 0.00 -2.02 0.00 0.00 58.31 56.53 1sqe n LYS 89 Cb 0.51 -1.51 0.01 0.00 -0.02 0.00 0.00 35.03 34.03 1sqe n LYS 89 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1sqe n GLU 90 N -1.51 -0.24 -0.65 1.97 0.28 -0.01 -5.06 120.64 115.41 1sqe n GLU 90 Ca 0.03 -0.76 -0.01 0.00 -0.16 0.00 0.00 57.16 56.26 1sqe n GLU 90 Cb 0.13 -1.05 0.00 0.00 1.43 0.00 0.00 31.44 31.95 1sqe n GLU 90 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1sqe n ALA 91 N 0.09 0.00 -3.53 -1.84 0.00 -0.93 -5.04 120.51 109.27 1sqe n ALA 91 Ca 0.02 -0.07 -0.17 0.00 0.00 0.00 0.00 53.44 53.22 1sqe n ALA 91 Cb 0.09 0.01 -0.06 0.00 0.00 0.00 0.00 19.45 19.49 1sqe n ALA 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1sqe s VAL 95 N 0.06 0.00 0.06 0.00 -7.23 -1.26 -4.99 120.40 107.03 1sqe s VAL 95 Ca 0.02 0.00 -0.17 0.00 -1.81 0.00 0.00 61.98 60.02 1sqe s VAL 95 Cb -0.00 -1.00 -0.06 0.00 0.56 0.00 0.00 36.38 35.88 1sqe s VAL 95 CO 0.02 0.00 0.51 -0.60 -0.31 0.00 0.00 175.10 174.72 1sqe s ARG 96 N -1.25 4.08 0.10 4.82 3.52 -1.26 -4.90 118.95 124.06 1sqe s ARG 96 Ca -0.09 0.60 0.02 0.00 -0.13 0.00 0.00 55.73 56.13 1sqe s ARG 96 Cb -0.00 -3.20 -0.04 0.00 -1.56 0.00 0.00 34.95 30.15 1sqe s ARG 96 CO 0.08 0.64 0.18 -0.51 -0.81 0.00 0.00 175.30 174.88 1sqe s LEU 97 N -1.20 4.10 0.59 -0.88 1.43 -1.26 -4.99 118.68 116.48 1sqe s LEU 97 Ca 0.28 0.10 0.34 0.00 -1.03 0.00 0.00 54.13 53.82 1sqe s LEU 97 Cb -0.18 -2.72 1.87 0.00 0.03 0.00 0.00 46.19 45.19 1sqe s LEU 97 CO 0.17 0.13 2.22 0.11 0.23 0.00 0.00 176.35 179.21 1sqe h LYS 98 N 2.80 0.00 -0.07 1.70 1.57 -2.02 -0.68 116.57 119.88 1sqe h LYS 98 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1sqe h LYS 98 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1sqe h LYS 98 CO 0.69 0.03 0.00 -1.13 -0.57 0.00 0.00 179.45 178.48 1sqe n SER 99 N -3.48 1.44 -4.83 0.86 3.41 -1.26 -4.91 113.62 104.85 1sqe n SER 99 Ca -0.02 -1.54 -0.33 0.00 -0.26 0.00 0.00 58.87 56.71 1sqe n SER 99 Cb 0.14 -0.04 -0.07 0.00 -0.26 0.00 0.00 64.21 63.99 1sqe n SER 99 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1sqe s ASP 100 N -1.84 6.92 0.28 4.04 1.01 -0.26 -5.07 116.67 121.74 1sqe s ASP 100 Ca 0.36 1.52 -0.08 0.00 0.71 0.00 0.00 52.55 55.06 1sqe s ASP 100 Cb 0.20 -2.47 -0.06 0.00 1.01 0.00 0.00 42.92 41.59 1sqe s ASP 100 CO 0.31 -0.24 0.59 -1.81 0.21 0.00 0.00 175.17 174.22 1sqe s ASP 101 N -2.13 6.56 0.02 0.27 1.01 -1.26 -4.95 116.67 116.18 1sqe s ASP 101 Ca 0.56 0.90 -0.32 0.00 0.71 0.00 0.00 52.55 54.40 1sqe s ASP 101 Cb -0.11 -2.22 -0.11 0.00 1.01 0.00 0.00 42.92 41.49 1sqe s ASP 101 CO 0.16 -0.16 1.87 -0.67 0.21 0.00 0.00 175.17 176.58 1sqe n ASP 102 N -0.56 3.76 0.00 0.27 2.03 -1.26 -0.80 116.55 119.98 1sqe n ASP 102 Ca 0.00 0.97 0.00 0.00 0.52 0.00 0.00 54.79 56.28 1sqe n ASP 102 Cb 0.53 -1.46 0.00 0.00 -0.72 0.00 0.00 41.12 39.47 1sqe n ASP 102 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sqe n GLY 103 N 4.32 0.73 3.72 0.27 0.00 -1.26 -5.04 105.19 107.92 1sqe n GLY 103 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 1sqe n GLY 103 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1sqe n GLN 104 N -2.00 2.36 -4.18 1.61 7.27 0.02 -4.98 117.38 117.47 1sqe n GLN 104 Ca 0.00 0.83 -0.33 0.00 0.07 0.00 0.00 57.00 57.58 1sqe n GLN 104 Cb 0.00 -2.51 -0.08 0.00 2.41 0.00 0.00 30.24 30.06 1sqe n GLN 104 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 1sqe s GLN 105 N -1.18 2.93 0.12 3.69 -1.52 -1.26 -4.93 119.66 117.50 1sqe s GLN 105 Ca 0.61 -0.55 -0.31 0.00 -1.95 0.00 0.00 55.36 53.16 1sqe s GLN 105 Cb -0.55 -2.77 -0.09 0.00 -0.22 0.00 0.00 33.01 29.39 1sqe s GLN 105 CO 0.56 0.64 1.49 0.45 -0.25 0.00 0.00 175.29 178.17 1sqe s SER 106 N -1.66 6.71 -1.24 5.90 0.15 -1.26 -4.85 113.70 117.45 1sqe s SER 106 Ca 0.21 2.43 -0.11 0.00 0.70 0.00 0.00 55.95 59.18 1sqe s SER 106 Cb -0.12 -2.58 -0.06 0.00 -1.71 0.00 0.00 66.02 61.55 1sqe s SER 106 CO 0.12 -0.75 2.39 -0.81 1.20 0.00 0.00 173.24 175.39 1sqe n PRO 107 N 4.30 2.68 -2.88 5.44 -0.04 -1.26 -4.92 135.00 138.33 1sqe n PRO 107 Ca 0.13 -2.00 -0.41 0.00 -0.04 0.00 0.00 63.50 61.18 1sqe n PRO 107 Cb 0.41 -2.81 -0.04 0.00 -0.04 0.00 0.00 33.50 31.02 1sqe n PRO 107 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1sqe s ILE 108 N 3.21 4.90 -0.06 0.52 1.01 -1.26 -2.06 121.20 127.46 1sqe s ILE 108 Ca 0.54 1.69 0.10 0.00 0.00 0.00 0.00 60.65 62.98 1sqe s ILE 108 Cb 0.14 -4.16 -0.24 0.00 0.01 0.00 0.00 42.46 38.22 1sqe s ILE 108 CO -0.03 0.08 0.61 0.18 0.00 0.00 0.00 174.94 175.78 1sqe n LEU 109 N 4.78 1.10 -3.55 2.97 4.77 0.54 -4.98 117.00 122.64 1sqe n LEU 109 Ca 0.04 0.38 -0.14 0.00 -0.03 0.00 0.00 56.01 56.26 1sqe n LEU 109 Cb 0.49 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.53 1sqe n LEU 109 CO 0.49 0.45 0.60 -0.94 -1.33 0.00 0.00 177.39 176.67 1sqe s SER 110 N -6.21 -0.52 -0.31 -1.43 1.04 -1.21 -4.96 113.70 100.10 1sqe s SER 110 Ca -0.07 0.56 -0.01 0.00 0.48 0.00 0.00 55.95 56.91 1sqe s SER 110 Cb 0.08 0.42 0.10 0.00 0.10 0.00 0.00 66.02 66.72 1sqe s SER 110 CO 0.82 -0.48 0.10 0.21 0.98 0.00 0.00 173.24 174.86 1sqe s ASN 111 N -1.16 4.02 0.06 7.02 3.84 -1.26 -1.73 114.94 125.73 1sqe s ASN 111 Ca -0.06 -1.63 0.04 0.00 0.21 0.00 0.00 52.86 51.42 1sqe s ASN 111 Cb -0.00 -0.86 -0.04 0.00 -0.55 0.00 0.00 41.25 39.80 1sqe s ASN 111 CO 0.06 -0.42 -0.01 -0.54 -2.79 0.00 0.00 177.10 173.40 1sqe s LYS 112 N 1.62 2.59 -0.10 0.43 1.02 -0.11 -4.91 119.74 120.29 1sqe s LYS 112 Ca 0.10 -0.78 -0.00 0.00 0.02 0.00 0.00 55.97 55.31 1sqe s LYS 112 Cb -0.17 -2.56 -0.03 0.00 -0.52 0.00 0.00 37.83 34.55 1sqe s LYS 112 CO -0.25 0.57 -0.08 0.08 -0.92 0.00 0.00 175.35 174.75 1sqe s VAL 113 N -1.22 3.60 0.05 3.17 1.01 -1.26 0.12 120.40 125.87 1sqe s VAL 113 Ca 0.23 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.75 1sqe s VAL 113 Cb -0.12 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 1sqe s VAL 113 CO 0.15 0.56 -0.09 -0.36 0.00 0.00 0.00 175.10 175.36 1sqe s PHE 114 N -0.34 0.79 0.05 5.22 0.08 -0.53 -5.00 117.98 118.25 1sqe s PHE 114 Ca 0.05 -0.50 0.05 0.00 0.12 0.00 0.00 56.93 56.64 1sqe s PHE 114 Cb -0.12 -0.46 -0.02 0.00 -0.57 0.00 0.00 43.02 41.84 1sqe s PHE 114 CO 0.02 -0.06 -0.14 0.15 -0.10 0.00 0.00 175.22 175.10 1sqe s LYS 115 N -1.66 0.86 0.02 0.44 1.02 -1.26 -0.56 119.74 118.60 1sqe s LYS 115 Ca -0.08 -0.83 -0.00 0.00 0.02 0.00 0.00 55.97 55.08 1sqe s LYS 115 Cb -0.10 -0.86 -0.02 0.00 -0.52 0.00 0.00 37.83 36.34 1sqe s LYS 115 CO 0.01 0.20 -0.03 0.71 -0.92 0.00 0.00 175.35 175.32 1sqe s TYR 116 N -1.03 0.27 -0.17 3.18 2.02 0.41 -5.01 117.35 117.01 1sqe s TYR 116 Ca -0.00 -0.55 -0.13 0.00 -0.37 0.00 0.00 57.07 56.02 1sqe s TYR 116 Cb -0.09 -0.20 -0.05 0.00 -0.40 0.00 0.00 41.96 41.23 1sqe s TYR 116 CO 0.02 -0.20 0.28 -0.51 -1.57 0.00 0.00 175.55 173.56 1sqe s ASP 117 N -1.52 6.40 -0.46 2.29 1.01 -1.26 -1.32 116.67 121.82 1sqe s ASP 117 Ca -0.15 0.46 -0.20 0.00 0.71 0.00 0.00 52.55 53.37 1sqe s ASP 117 Cb -0.09 -2.17 0.03 0.00 1.01 0.00 0.00 42.92 41.70 1sqe s ASP 117 CO -0.01 0.09 0.62 -0.63 0.21 0.00 0.00 175.17 175.45 1sqe s ILE 118 N 0.55 4.86 -0.28 0.77 1.01 -0.39 -4.91 121.20 122.81 1sqe s ILE 118 Ca 0.15 -0.10 0.19 0.00 0.00 0.00 0.00 60.65 60.89 1sqe s ILE 118 Cb -0.13 -4.22 0.15 0.00 0.01 0.00 0.00 42.46 38.27 1sqe s ILE 118 CO 0.03 -0.65 1.42 1.23 0.00 0.00 0.00 174.94 176.98 1sqe h GLY 119 N 9.66 0.00 -5.25 6.18 0.00 -1.97 -3.38 103.07 108.31 1sqe h GLY 119 Ca -0.26 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.95 1sqe h GLY 119 CO 0.91 0.00 -0.24 -0.47 0.00 0.00 0.00 176.54 176.73 1sqe s TYR 120 N -3.10 -0.45 -0.10 5.60 5.04 -1.26 -5.09 117.35 117.99 1sqe s TYR 120 Ca 0.04 1.09 -0.07 0.00 -2.44 0.00 0.00 57.07 55.69 1sqe s TYR 120 Cb 0.07 0.15 0.03 0.00 0.35 0.00 0.00 41.96 42.57 1sqe s TYR 120 CO 0.72 -0.22 0.25 -1.58 -1.34 0.00 0.00 175.55 173.39 1sqe s HIS 121 N 0.25 -0.30 -0.02 4.97 5.65 -1.26 -5.15 115.29 119.42 1sqe s HIS 121 Ca -0.00 0.73 -0.00 0.00 0.25 0.00 0.00 55.06 56.04 1sqe s HIS 121 Cb -0.03 0.08 0.02 0.00 -1.18 0.00 0.00 32.58 31.48 1sqe s HIS 121 CO 0.00 -0.18 0.04 -0.47 -0.65 0.00 0.00 174.74 173.48 1sqe s TYR 122 N 0.60 0.00 -0.11 3.88 5.04 -1.26 -5.14 117.35 120.36 1sqe s TYR 122 Ca -0.04 0.14 0.00 0.00 -2.44 0.00 0.00 57.07 54.74 1sqe s TYR 122 Cb -0.05 -0.17 0.02 0.00 0.35 0.00 0.00 41.96 42.11 1sqe s TYR 122 CO -0.03 -0.08 -0.09 -1.14 -1.34 0.00 0.00 175.55 172.86 1sqe s GLN 123 N 0.84 1.65 0.00 4.97 0.74 -1.26 -5.34 119.66 121.26 1sqe s GLN 123 Ca -0.07 -0.32 0.10 0.00 0.05 0.00 0.00 55.36 55.12 1sqe s GLN 123 Cb -0.10 -1.61 0.62 0.00 1.10 0.00 0.00 33.01 33.02 1sqe s GLN 123 CO -0.03 -0.20 1.06 1.17 -0.55 0.00 0.00 175.29 176.74