#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kqb h ILE 3 N 0.00 1.27 -0.35 5.18 6.09 -2.02 -2.28 117.51 125.40 1kqb h ILE 3 Ca 0.00 -1.31 -0.12 0.00 -1.37 0.00 0.00 64.86 62.06 1kqb h ILE 3 Cb 0.00 1.70 -0.01 0.00 0.47 0.00 0.00 36.82 38.97 1kqb h ILE 3 CO 0.00 0.38 -0.26 0.40 -3.07 0.00 0.00 178.15 175.59 1kqb h ILE 4 N 0.01 1.28 -0.76 2.19 1.08 -2.04 -0.46 117.51 118.81 1kqb h ILE 4 Ca -0.00 -1.38 -0.04 0.00 -0.39 0.00 0.00 64.86 63.04 1kqb h ILE 4 Cb 0.68 1.29 -0.03 0.00 -3.07 0.00 0.00 36.82 35.68 1kqb h ILE 4 CO 0.05 0.45 0.30 0.28 -0.69 0.00 0.00 178.15 178.55 1kqb h SER 5 N 0.63 1.03 -0.25 1.72 0.02 -1.88 -1.11 113.55 113.71 1kqb h SER 5 Ca 0.08 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 1kqb h SER 5 Cb 0.77 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 1kqb h SER 5 CO 0.06 0.92 0.11 0.58 -1.14 0.00 0.00 176.83 177.36 1kqb h VAL 6 N 1.10 1.16 -0.15 2.27 2.07 -0.88 -1.02 116.25 120.79 1kqb h VAL 6 Ca 0.25 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 1kqb h VAL 6 Cb 0.21 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1kqb h VAL 6 CO -0.02 0.16 0.00 0.00 0.02 0.00 0.00 177.57 177.73 1kqb h ALA 7 N 0.96 1.72 0.00 1.67 0.00 -0.67 0.76 119.26 123.71 1kqb h ALA 7 Ca 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1kqb h ALA 7 Cb 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1kqb h ALA 7 CO -0.01 0.21 -0.43 1.28 0.00 0.00 0.00 179.25 180.30 1kqb n LEU 8 N -4.41 0.62 -0.10 0.00 4.77 -0.46 -4.21 117.00 113.21 1kqb n LEU 8 Ca -0.01 0.28 -0.13 0.00 -0.03 0.00 0.00 56.01 56.13 1kqb n LEU 8 Cb 0.16 -0.25 -0.12 0.00 -2.33 0.00 0.00 43.42 40.88 1kqb n LEU 8 CO 0.36 -0.04 -1.18 1.17 -1.33 0.00 0.00 177.39 176.37 1kqb n LYS 9 N -1.98 0.80 -1.53 3.23 3.00 -0.42 -4.91 118.16 116.36 1kqb n LYS 9 Ca 0.04 0.07 -0.36 0.00 -0.00 0.00 0.00 58.31 58.06 1kqb n LYS 9 Cb 0.41 -1.46 0.08 0.00 0.00 0.00 0.00 35.03 34.06 1kqb n LYS 9 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 1kqb n ARG 10 N -2.93 0.80 -3.64 1.64 1.85 0.19 -5.02 116.66 109.54 1kqb n ARG 10 Ca -0.35 0.33 -0.11 0.00 -1.00 0.00 0.00 57.85 56.72 1kqb n ARG 10 Cb 1.01 -2.43 -0.05 0.00 -1.05 0.00 0.00 32.46 29.94 1kqb n ARG 10 CO 0.00 0.00 0.00 -3.38 -0.01 0.00 0.00 177.63 174.24 1kqb s HIS 11 N -1.62 -0.20 -0.41 2.89 -3.43 -1.26 -5.00 115.29 106.26 1kqb s HIS 11 Ca 0.79 -0.09 -0.29 0.00 -0.80 0.00 0.00 55.06 54.67 1kqb s HIS 11 Cb -0.36 0.24 0.01 0.00 -1.43 0.00 0.00 32.58 31.04 1kqb s HIS 11 CO 0.45 -0.68 1.39 -1.12 -2.00 0.00 0.00 174.74 172.77 1kqb s SER 12 N -2.72 6.37 0.11 7.38 0.01 -1.26 -4.49 113.70 119.10 1kqb s SER 12 Ca 0.02 0.83 -0.31 0.00 1.31 0.00 0.00 55.95 57.80 1kqb s SER 12 Cb 0.02 -2.54 -0.07 0.00 0.21 0.00 0.00 66.02 63.63 1kqb s SER 12 CO -0.11 -1.40 1.34 -0.89 0.41 0.00 0.00 173.24 172.59 1kqb s THR 13 N 5.31 3.47 -1.09 1.44 2.01 -0.76 -4.79 115.64 121.23 1kqb s THR 13 Ca 0.60 1.07 0.18 0.00 0.31 0.00 0.00 61.69 63.85 1kqb s THR 13 Cb -0.13 -3.68 -0.15 0.00 0.01 0.00 0.00 72.50 68.55 1kqb s THR 13 CO 0.32 0.09 0.82 0.29 -0.69 0.00 0.00 174.62 175.45 1kqb n LYS 14 N 3.86 1.16 -3.67 4.92 4.76 -1.26 -4.65 118.16 123.28 1kqb n LYS 14 Ca 0.11 -0.24 -0.09 0.00 -2.87 0.00 0.00 58.31 55.22 1kqb n LYS 14 Cb 0.43 -1.36 -0.09 0.00 -1.84 0.00 0.00 35.03 32.18 1kqb n LYS 14 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1kqb s ALA 15 N -2.56 -1.46 0.17 7.82 0.00 -1.26 -4.75 121.76 119.73 1kqb s ALA 15 Ca 0.09 1.97 0.07 0.00 0.00 0.00 0.00 51.96 54.09 1kqb s ALA 15 Cb 0.14 -1.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.05 1kqb s ALA 15 CO 0.67 -0.32 0.04 -0.06 0.00 0.00 0.00 175.76 176.09 1kqb s PHE 16 N 1.49 2.94 -0.50 0.00 0.40 -1.26 -0.60 117.98 120.44 1kqb s PHE 16 Ca -0.10 -0.10 -0.23 0.00 -0.60 0.00 0.00 56.93 55.90 1kqb s PHE 16 Cb -0.07 -1.41 0.04 0.00 0.51 0.00 0.00 43.02 42.09 1kqb s PHE 16 CO -0.16 0.52 0.85 0.34 0.70 0.00 0.00 175.22 177.47 1kqb s ASP 17 N -3.02 6.36 0.16 1.36 -1.08 0.13 -4.44 116.67 116.14 1kqb s ASP 17 Ca 0.29 -0.29 0.17 0.00 -0.52 0.00 0.00 52.55 52.19 1kqb s ASP 17 Cb -0.09 -2.40 0.77 0.00 -1.46 0.00 0.00 42.92 39.74 1kqb s ASP 17 CO 0.20 -1.07 1.52 0.00 0.52 0.00 0.00 175.17 176.35 1kqb n ALA 18 N 7.04 1.42 1.13 3.66 0.00 -1.22 -2.29 120.51 130.26 1kqb n ALA 18 Ca 0.01 0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.64 1kqb n ALA 18 Cb 0.48 -1.27 0.21 0.00 0.00 0.00 0.00 19.45 18.86 1kqb n ALA 18 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1kqb n SER 19 N -1.94 1.38 -4.15 0.00 3.41 -1.26 -4.75 113.62 106.32 1kqb n SER 19 Ca 0.01 -1.11 -0.38 0.00 -0.26 0.00 0.00 58.87 57.14 1kqb n SER 19 Cb 0.14 0.31 -0.10 0.00 -0.26 0.00 0.00 64.21 64.29 1kqb n SER 19 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1kqb s LYS 20 N -2.54 2.20 0.42 4.33 1.02 -0.97 -5.08 119.74 119.12 1kqb s LYS 20 Ca 0.21 -1.84 -0.02 0.00 0.02 0.00 0.00 55.97 54.35 1kqb s LYS 20 Cb 0.19 -3.71 -0.03 0.00 -0.52 0.00 0.00 37.83 33.75 1kqb s LYS 20 CO 0.56 -1.12 0.66 0.15 -0.92 0.00 0.00 175.35 174.68 1kqb s LYS 21 N 1.16 3.41 0.57 1.68 -0.14 -1.26 -4.44 119.74 120.72 1kqb s LYS 21 Ca 0.08 -0.16 -0.16 0.00 -1.36 0.00 0.00 55.97 54.36 1kqb s LYS 21 Cb -0.24 -2.53 -0.05 0.00 -1.68 0.00 0.00 37.83 33.33 1kqb s LYS 21 CO -0.03 -0.07 1.05 -0.51 -0.76 0.00 0.00 175.35 175.02 1kqb s LEU 22 N -4.53 3.56 0.89 3.17 1.43 -1.26 -5.03 118.68 116.91 1kqb s LEU 22 Ca 0.44 1.81 -0.12 0.00 -1.03 0.00 0.00 54.13 55.23 1kqb s LEU 22 Cb -0.10 -4.53 0.13 0.00 0.03 0.00 0.00 46.19 41.71 1kqb s LEU 22 CO 0.40 -1.06 1.14 0.42 0.23 0.00 0.00 176.35 177.48 1kqb s THR 23 N -2.40 2.02 0.19 5.49 -4.23 -1.26 -4.82 115.64 110.63 1kqb s THR 23 Ca 0.64 0.01 -0.11 0.00 -1.18 0.00 0.00 61.69 61.05 1kqb s THR 23 Cb -0.16 -2.80 0.12 0.00 1.34 0.00 0.00 72.50 71.00 1kqb s THR 23 CO 0.34 -0.01 1.79 0.00 -0.54 0.00 0.00 174.62 176.20 1kqb h ALA 24 N -1.41 0.88 -0.58 3.99 0.00 -1.99 -1.23 119.26 118.92 1kqb h ALA 24 Ca -0.50 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.25 1kqb h ALA 24 Cb 1.33 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1kqb h ALA 24 CO 0.63 0.44 0.25 1.49 0.00 0.00 0.00 179.25 182.06 1kqb h GLU 25 N 0.95 0.85 -0.76 0.00 4.81 -2.00 -1.94 114.58 116.50 1kqb h GLU 25 Ca 0.24 -0.14 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 1kqb h GLU 25 Cb 0.10 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 1kqb h GLU 25 CO -0.03 0.72 0.27 0.93 -0.73 0.00 0.00 179.01 180.17 1kqb h GLU 26 N 0.79 1.15 -0.58 1.92 5.08 -1.84 -1.09 114.58 120.02 1kqb h GLU 26 Ca 0.20 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1kqb h GLU 26 Cb 0.17 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1kqb h GLU 26 CO -0.02 0.95 0.23 0.00 -1.00 0.00 0.00 179.01 179.17 1kqb h ALA 27 N 1.18 1.32 -0.27 3.43 0.00 -0.89 -1.55 119.26 122.48 1kqb h ALA 27 Ca 0.25 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 1kqb h ALA 27 Cb 0.25 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1kqb h ALA 27 CO -0.02 0.51 -0.53 0.93 0.00 0.00 0.00 179.25 180.15 1kqb h GLU 28 N 0.83 0.78 -0.61 0.00 4.39 -0.84 -3.13 114.58 116.00 1kqb h GLU 28 Ca 0.20 -0.48 -0.10 0.00 0.34 0.00 0.00 59.36 59.32 1kqb h GLU 28 Cb 0.17 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 1kqb h GLU 28 CO -0.02 1.11 0.01 0.87 -1.16 0.00 0.00 179.01 179.82 1kqb h LYS 29 N 0.61 1.07 -0.07 2.33 1.57 -0.73 -2.15 116.57 119.19 1kqb h LYS 29 Ca 0.02 -0.33 -0.07 0.00 -1.87 0.00 0.00 60.65 58.39 1kqb h LYS 29 Cb 1.11 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 1kqb h LYS 29 CO 0.11 1.03 -0.30 -0.84 -0.57 0.00 0.00 179.45 178.89 1kqb h ILE 30 N 0.98 1.24 -0.26 1.86 3.07 -1.33 -1.40 117.51 121.66 1kqb h ILE 30 Ca 0.17 -1.16 -0.12 0.00 1.55 0.00 0.00 64.86 65.31 1kqb h ILE 30 Cb 0.55 1.53 -0.01 0.00 -0.27 0.00 0.00 36.82 38.62 1kqb h ILE 30 CO 0.03 0.34 -0.33 0.11 -1.05 0.00 0.00 178.15 177.25 1kqb h LYS 31 N 0.11 0.56 -0.70 0.16 1.57 -1.44 -2.14 116.57 114.69 1kqb h LYS 31 Ca 0.02 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.53 1kqb h LYS 31 Cb 0.60 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.86 1kqb h LYS 31 CO 0.04 0.81 0.35 1.15 -0.57 0.00 0.00 179.45 181.24 1kqb h THR 32 N 0.47 1.23 -0.66 -0.16 2.02 -0.67 -0.95 112.91 114.20 1kqb h THR 32 Ca 0.05 -0.62 -0.01 0.00 0.77 0.00 0.00 66.41 66.60 1kqb h THR 32 Cb 0.80 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 1kqb h THR 32 CO 0.07 0.26 0.36 -0.07 0.37 0.00 0.00 175.52 176.50 1kqb h LEU 33 N 0.97 0.83 -0.25 2.58 3.38 -0.93 -0.41 115.31 121.48 1kqb h LEU 33 Ca 0.24 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1kqb h LEU 33 Cb 0.09 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1kqb h LEU 33 CO -0.03 0.69 0.09 -0.07 0.09 0.00 0.00 178.44 179.20 1kqb h LEU 34 N 0.90 0.35 -0.48 1.67 3.38 -1.05 -3.11 115.31 116.97 1kqb h LEU 34 Ca 0.23 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1kqb h LEU 34 Cb 0.05 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1kqb h LEU 34 CO -0.04 0.44 0.05 -0.61 0.09 0.00 0.00 178.44 178.37 1kqb h GLN 35 N 0.24 0.81 -0.48 1.13 4.15 -0.94 -3.29 115.11 116.73 1kqb h GLN 35 Ca 0.08 -0.23 0.00 0.00 0.77 0.00 0.00 58.65 59.27 1kqb h GLN 35 Cb 0.21 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.81 1kqb h GLN 35 CO -0.00 0.83 0.00 0.66 -1.93 0.00 0.00 178.83 178.39 1kqb n TYR 36 N -4.40 0.68 -2.01 3.99 4.02 -0.19 -4.93 117.16 114.32 1kqb n TYR 36 Ca 0.01 -0.31 -0.37 0.00 -0.01 0.00 0.00 57.90 57.21 1kqb n TYR 36 Cb 0.27 -0.05 0.02 0.00 -0.02 0.00 0.00 39.34 39.56 1kqb n TYR 36 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1kqb s SER 37 N -0.92 5.55 0.84 7.72 0.15 -1.18 -4.99 113.70 120.87 1kqb s SER 37 Ca 0.30 2.51 -0.12 0.00 0.70 0.00 0.00 55.95 59.33 1kqb s SER 37 Cb 0.17 -2.61 0.10 0.00 -1.71 0.00 0.00 66.02 61.96 1kqb s SER 37 CO 0.18 -1.36 1.16 -2.16 1.20 0.00 0.00 173.24 172.27 1kqb s PRO 38 N -2.95 1.73 -0.01 5.44 0.04 -1.26 -5.00 135.00 133.00 1kqb s PRO 38 Ca 0.70 0.20 -0.28 0.00 0.04 0.00 0.00 61.00 61.66 1kqb s PRO 38 Cb -0.34 -1.92 0.09 0.00 0.04 0.00 0.00 34.50 32.38 1kqb s PRO 38 CO 0.39 -1.77 0.77 -1.54 0.04 0.00 0.00 177.00 174.89 1kqb s SER 39 N -4.37 -0.51 0.06 6.66 1.04 -1.26 -4.75 113.70 110.57 1kqb s SER 39 Ca 0.62 0.31 -0.33 0.00 0.48 0.00 0.00 55.95 57.03 1kqb s SER 39 Cb -0.12 0.47 -0.13 0.00 0.10 0.00 0.00 66.02 66.35 1kqb s SER 39 CO 0.51 -0.65 1.74 -0.24 0.98 0.00 0.00 173.24 175.57 1kqb n SER 40 N 0.28 3.40 -0.82 7.02 2.88 -1.26 -0.72 113.62 124.39 1kqb n SER 40 Ca -0.14 1.03 -0.10 0.00 -1.33 0.00 0.00 58.87 58.32 1kqb n SER 40 Cb 0.60 -1.43 -0.04 0.00 -0.75 0.00 0.00 64.21 62.59 1kqb n SER 40 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1kqb n THR 41 N 4.28 0.00 -3.02 2.46 -2.24 -1.26 -1.16 114.28 113.34 1kqb n THR 41 Ca 0.19 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.75 1kqb n THR 41 Cb 0.31 -1.43 0.04 0.00 -2.10 0.00 0.00 70.33 67.15 1kqb n THR 41 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1kqb n ASN 42 N -1.00 -6.12 0.27 3.42 5.15 0.10 -4.88 115.26 112.20 1kqb n ASN 42 Ca -0.10 -0.29 0.15 0.00 -0.60 0.00 0.00 54.58 53.74 1kqb n ASN 42 Cb 0.56 -4.93 0.77 0.00 -0.53 0.00 0.00 39.78 35.65 1kqb n ASN 42 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 1kqb h SER 43 N -1.41 0.00 -6.89 1.20 4.64 -1.31 -3.47 113.55 106.31 1kqb h SER 43 Ca -0.53 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.30 1kqb h SER 43 Cb 1.36 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.37 1kqb h SER 43 CO 0.56 0.09 -0.79 0.00 -0.87 0.00 0.00 176.83 175.82 1kqb n GLN 44 N -3.42 -0.63 -0.98 4.77 6.02 -1.26 -4.73 117.38 117.15 1kqb n GLN 44 Ca -0.01 -0.01 -0.15 0.00 -0.01 0.00 0.00 57.00 56.82 1kqb n GLN 44 Cb 0.25 -2.23 -0.14 0.00 1.02 0.00 0.00 30.24 29.13 1kqb n GLN 44 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1kqb n PRO 45 N -4.07 2.09 -4.17 -1.09 -0.04 -1.26 -4.87 135.00 121.59 1kqb n PRO 45 Ca -0.17 -1.09 -0.11 0.00 -0.04 0.00 0.00 63.50 62.09 1kqb n PRO 45 Cb 0.49 -2.07 -0.09 0.00 -0.04 0.00 0.00 33.50 31.79 1kqb n PRO 45 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1kqb s TRP 46 N 1.28 1.03 -0.05 0.54 -2.14 -1.26 -1.63 118.94 116.70 1kqb s TRP 46 Ca 0.63 -1.28 -0.15 0.00 2.66 0.00 0.00 56.10 57.96 1kqb s TRP 46 Cb 0.28 -0.46 0.03 0.00 -3.10 0.00 0.00 33.47 30.22 1kqb s TRP 46 CO -0.01 -0.67 0.35 -1.58 -2.66 0.00 0.00 176.95 172.38 1kqb s HIS 47 N -4.13 -0.28 -0.03 1.66 2.46 -0.78 -4.91 115.29 109.28 1kqb s HIS 47 Ca 0.35 0.54 0.04 0.00 0.47 0.00 0.00 55.06 56.46 1kqb s HIS 47 Cb 0.06 0.13 -0.00 0.00 -0.13 0.00 0.00 32.58 32.64 1kqb s HIS 47 CO 0.11 -0.35 -0.15 -0.06 -2.47 0.00 0.00 174.74 171.82 1kqb s PHE 48 N -0.87 1.44 -0.25 3.88 0.08 -1.26 -1.13 117.98 119.87 1kqb s PHE 48 Ca -0.09 -0.37 -0.08 0.00 0.12 0.00 0.00 56.93 56.51 1kqb s PHE 48 Cb -0.04 -0.97 -0.03 0.00 -0.57 0.00 0.00 43.02 41.41 1kqb s PHE 48 CO 0.03 -0.11 0.09 0.42 -0.10 0.00 0.00 175.22 175.56 1kqb s ILE 49 N -0.03 4.58 -0.42 0.64 1.01 -0.86 -4.94 121.20 121.18 1kqb s ILE 49 Ca -0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 60.65 60.54 1kqb s ILE 49 Cb -0.09 -3.14 0.11 0.00 0.01 0.00 0.00 42.46 39.35 1kqb s ILE 49 CO 0.01 0.34 0.21 -0.69 0.00 0.00 0.00 174.94 174.80 1kqb s VAL 50 N 1.48 3.15 -0.24 2.92 1.01 -1.26 -0.35 120.40 127.12 1kqb s VAL 50 Ca 0.06 -2.24 -0.18 0.00 0.00 0.00 0.00 61.98 59.62 1kqb s VAL 50 Cb -0.15 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 1kqb s VAL 50 CO 0.05 -0.70 0.49 0.00 0.00 0.00 0.00 175.10 174.94 1kqb s ALA 51 N 0.93 3.57 0.00 5.51 0.00 -0.12 -4.90 121.76 126.75 1kqb s ALA 51 Ca 0.10 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.50 1kqb s ALA 51 Cb -0.22 -2.82 0.00 0.00 0.00 0.00 0.00 23.12 20.07 1kqb s ALA 51 CO -0.05 -0.60 0.00 -1.13 0.00 0.00 0.00 175.76 173.98 1kqb n SER 52 N 5.20 0.68 -4.94 0.00 3.41 -1.26 -0.20 113.62 116.51 1kqb n SER 52 Ca -0.05 -0.34 -0.24 0.00 -0.26 0.00 0.00 58.87 57.98 1kqb n SER 52 Cb 0.50 0.81 0.03 0.00 -0.26 0.00 0.00 64.21 65.29 1kqb n SER 52 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1kqb s THR 53 N -0.95 3.57 0.15 6.66 -4.23 -1.26 -4.84 115.64 114.73 1kqb s THR 53 Ca 0.00 -0.30 -0.14 0.00 -1.18 0.00 0.00 61.69 60.07 1kqb s THR 53 Cb 0.00 -3.37 0.02 0.00 1.34 0.00 0.00 72.50 70.49 1kqb s THR 53 CO 0.00 -0.32 1.68 -0.08 -0.54 0.00 0.00 174.62 175.36 1kqb h GLU 54 N 0.05 0.73 -0.03 3.99 4.81 -1.96 -1.23 114.58 120.95 1kqb h GLU 54 Ca -0.45 -0.15 -0.14 0.00 -0.13 0.00 0.00 59.36 58.48 1kqb h GLU 54 Cb 1.26 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 1kqb h GLU 54 CO 0.58 0.69 -0.64 1.05 -0.73 0.00 0.00 179.01 179.95 1kqb h GLU 55 N 0.64 0.10 -0.19 1.92 9.09 -1.98 -1.42 114.58 122.74 1kqb h GLU 55 Ca 0.16 -0.08 -0.08 0.00 0.05 0.00 0.00 59.36 59.41 1kqb h GLU 55 Cb 0.25 0.01 -0.00 0.00 -1.65 0.00 0.00 28.75 27.36 1kqb h GLU 55 CO -0.01 0.71 -0.19 0.78 0.05 0.00 0.00 179.01 180.35 1kqb h GLY 56 N 1.74 0.51 1.83 1.06 0.00 -1.90 -1.93 103.07 104.39 1kqb h GLY 56 Ca -0.01 -0.53 -0.12 0.00 0.00 0.00 0.00 47.33 46.68 1kqb h GLY 56 CO 0.09 0.47 -0.49 0.50 0.00 0.00 0.00 176.54 177.12 1kqb h LYS 57 N 0.14 0.18 -0.71 4.80 1.57 -1.24 -2.40 116.57 118.92 1kqb h LYS 57 Ca 0.03 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1kqb h LYS 57 Cb 0.73 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.01 1kqb h LYS 57 CO 0.05 0.63 0.32 0.00 -0.57 0.00 0.00 179.45 179.88 1kqb h ALA 58 N 1.35 1.23 -0.23 3.86 0.00 -1.15 0.13 119.26 124.46 1kqb h ALA 58 Ca 0.01 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1kqb h ALA 58 Cb 0.91 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1kqb h ALA 58 CO 0.07 0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.91 1kqb h ARG 59 N 1.01 0.40 -0.75 0.00 3.08 -0.89 -2.80 114.38 114.44 1kqb h ARG 59 Ca 0.24 -0.13 -0.05 0.00 0.07 0.00 0.00 59.98 60.12 1kqb h ARG 59 Cb 0.13 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 1kqb h ARG 59 CO -0.03 0.58 0.28 0.28 -1.07 0.00 0.00 179.97 180.01 1kqb h VAL 60 N 0.18 1.25 0.00 2.04 2.07 -1.17 -2.26 116.25 118.36 1kqb h VAL 60 Ca 0.07 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1kqb h VAL 60 Cb 0.40 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1kqb h VAL 60 CO 0.01 0.33 0.00 0.00 0.02 0.00 0.00 177.57 177.93 1kqb h ALA 61 N 1.20 1.00 0.00 1.67 0.00 -0.51 -1.38 119.26 121.24 1kqb h ALA 61 Ca 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1kqb h ALA 61 Cb 0.24 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1kqb h ALA 61 CO -0.02 0.00 -0.06 0.87 0.00 0.00 0.00 179.25 180.04 1kqb h LYS 62 N 0.00 0.00 0.00 0.00 1.57 -1.15 -0.86 116.57 116.12 1kqb h LYS 62 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1kqb h LYS 62 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1kqb h LYS 62 CO 0.00 0.06 0.00 -1.13 -0.57 0.00 0.00 179.45 177.81 1kqb n SER 63 N -3.99 0.27 -1.42 0.86 3.41 -0.52 -3.07 113.62 109.16 1kqb n SER 63 Ca -0.03 0.54 0.04 0.00 -0.26 0.00 0.00 58.87 59.17 1kqb n SER 63 Cb 0.15 -0.61 0.31 0.00 -0.26 0.00 0.00 64.21 63.80 1kqb n SER 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kqb n ALA 64 N -1.60 3.67 -1.94 7.33 0.00 -0.33 -0.66 120.51 126.98 1kqb n ALA 64 Ca 0.05 -2.28 -0.27 0.00 0.00 0.00 0.00 53.44 50.95 1kqb n ALA 64 Cb 0.31 -0.94 0.07 0.00 0.00 0.00 0.00 19.45 18.88 1kqb n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kqb s ALA 65 N -2.88 3.05 0.00 0.00 0.00 -1.17 -1.58 121.76 119.17 1kqb s ALA 65 Ca 0.49 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.65 1kqb s ALA 65 Cb 0.39 -2.71 0.00 0.00 0.00 0.00 0.00 23.12 20.80 1kqb s ALA 65 CO 0.11 -1.31 0.00 0.41 0.00 0.00 0.00 175.76 174.97 1kqb n GLY 66 N -2.97 4.33 0.35 0.00 0.00 -1.26 -2.81 105.19 102.84 1kqb n GLY 66 Ca 0.07 0.15 0.14 0.00 0.00 0.00 0.00 46.02 46.38 1kqb n GLY 66 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1kqb h THR 67 N 0.00 0.86 -0.54 2.61 2.02 -1.97 -2.30 112.91 113.59 1kqb h THR 67 Ca 0.00 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 1kqb h THR 67 Cb 0.00 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 1kqb h THR 67 CO 0.00 0.04 0.03 -1.22 0.37 0.00 0.00 175.52 174.74 1kqb n TYR 68 N -4.45 1.94 0.06 3.16 4.01 -1.12 -4.60 117.16 116.17 1kqb n TYR 68 Ca 0.08 -0.81 0.20 0.00 -0.16 0.00 0.00 57.90 57.21 1kqb n TYR 68 Cb 0.41 -0.50 0.74 0.00 -0.31 0.00 0.00 39.34 39.68 1kqb n TYR 68 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 1kqb h VAL 69 N 3.48 0.57 0.00 -0.72 3.04 -0.69 0.16 116.25 122.08 1kqb h VAL 69 Ca 0.03 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.72 1kqb h VAL 69 Cb 1.94 0.72 0.00 0.00 -2.01 0.00 0.00 31.29 31.94 1kqb h VAL 69 CO 0.48 0.00 0.00 2.22 -1.01 0.00 0.00 177.57 179.26 1kqb n PHE 70 N -4.06 0.08 0.50 3.17 1.16 -1.26 -1.21 117.46 115.84 1kqb n PHE 70 Ca 0.08 0.04 0.06 0.00 -1.87 0.00 0.00 57.45 55.75 1kqb n PHE 70 Cb 0.56 -0.56 0.01 0.00 -1.61 0.00 0.00 39.48 37.89 1kqb n PHE 70 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 1kqb n ASN 71 N -1.58 1.51 0.10 5.98 3.02 0.04 -4.77 115.26 119.56 1kqb n ASN 71 Ca 0.01 -1.25 -0.12 0.00 -0.03 0.00 0.00 54.58 53.18 1kqb n ASN 71 Cb 0.07 0.33 -0.06 0.00 -0.61 0.00 0.00 39.78 39.50 1kqb n ASN 71 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1kqb h GLU 72 N 1.58 -0.26 0.00 3.52 4.81 -1.20 -2.88 114.58 120.16 1kqb h GLU 72 Ca 0.00 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 1kqb h GLU 72 Cb 0.42 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.85 1kqb h GLU 72 CO 0.00 -0.17 -0.13 0.00 -0.73 0.00 0.00 179.01 177.98 1kqb h ARG 73 N -0.27 0.00 -0.81 1.92 3.08 -1.86 -1.54 114.38 114.90 1kqb h ARG 73 Ca 0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1kqb h ARG 73 Cb 0.27 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.28 1kqb h ARG 73 CO -0.05 0.13 0.47 0.87 -1.07 0.00 0.00 179.97 180.32 1kqb h LYS 74 N 0.00 1.11 0.11 0.04 1.57 -1.80 -0.80 116.57 116.80 1kqb h LYS 74 Ca -0.00 -0.11 -0.27 0.00 -1.87 0.00 0.00 60.65 58.40 1kqb h LYS 74 Cb 0.37 -0.23 0.01 0.00 0.08 0.00 0.00 32.23 32.47 1kqb h LYS 74 CO 0.02 0.79 -1.20 0.52 -0.57 0.00 0.00 179.45 179.00 1kqb h MET 75 N 1.12 0.36 -0.03 3.15 2.86 -1.28 -3.18 114.93 117.93 1kqb h MET 75 Ca 0.29 -0.54 -0.04 0.00 -2.06 0.00 0.00 59.70 57.35 1kqb h MET 75 Cb -0.02 0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.83 1kqb h MET 75 CO -0.05 1.23 -0.16 -0.07 1.06 0.00 0.00 176.91 178.92 1kqb h LEU 76 N 0.13 0.19 0.00 1.22 3.38 -1.09 -3.37 115.31 115.77 1kqb h LEU 76 Ca -0.14 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.17 1kqb h LEU 76 Cb 1.90 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.59 1kqb h LEU 76 CO 0.21 0.82 -0.13 0.44 0.09 0.00 0.00 178.44 179.87 1kqb h ASP 77 N -0.43 0.00 -4.27 -0.43 3.32 -1.31 -3.47 116.42 109.84 1kqb h ASP 77 Ca -0.01 -0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.52 1kqb h ASP 77 Cb 0.82 0.00 0.16 0.00 0.22 0.00 0.00 39.33 40.53 1kqb h ASP 77 CO 0.03 0.00 0.29 0.00 -1.72 0.00 0.00 179.24 177.84 1kqb s ALA 78 N -3.23 1.90 -0.02 3.45 0.00 -1.20 -3.39 121.76 119.27 1kqb s ALA 78 Ca 0.06 0.52 -0.21 0.00 0.00 0.00 0.00 51.96 52.33 1kqb s ALA 78 Cb 0.06 -3.38 -0.14 0.00 0.00 0.00 0.00 23.12 19.66 1kqb s ALA 78 CO 0.68 -2.20 0.94 1.03 0.00 0.00 0.00 175.76 176.21 1kqb h SER 79 N -1.27 -0.40 -3.68 0.00 0.87 -1.58 -3.45 113.55 104.03 1kqb h SER 79 Ca -0.44 -0.14 -0.57 0.00 -1.23 0.00 0.00 61.79 59.41 1kqb h SER 79 Cb 1.26 0.10 -0.32 0.00 -0.44 0.00 0.00 62.40 63.00 1kqb h SER 79 CO 0.47 0.03 -0.84 -1.00 -0.53 0.00 0.00 176.83 174.96 1kqb s HIS 80 N -3.94 1.78 -0.20 2.24 3.76 -0.48 -4.45 115.29 114.00 1kqb s HIS 80 Ca -0.12 -0.59 -0.01 0.00 -0.15 0.00 0.00 55.06 54.19 1kqb s HIS 80 Cb 0.01 -1.22 0.01 0.00 1.11 0.00 0.00 32.58 32.49 1kqb s HIS 80 CO 0.42 -0.24 -0.13 0.08 -0.85 0.00 0.00 174.74 174.02 1kqb s VAL 81 N 0.26 2.61 -0.23 -0.90 1.01 0.72 0.97 120.40 124.84 1kqb s VAL 81 Ca -0.09 -0.78 -0.09 0.00 0.00 0.00 0.00 61.98 61.01 1kqb s VAL 81 Cb -0.14 -2.16 -0.05 0.00 0.00 0.00 0.00 36.38 34.04 1kqb s VAL 81 CO 0.04 0.47 0.13 -0.69 0.00 0.00 0.00 175.10 175.04 1kqb s VAL 82 N 1.36 5.11 -0.35 2.92 1.01 -0.44 -0.94 120.40 129.07 1kqb s VAL 82 Ca 0.05 0.09 -0.11 0.00 0.00 0.00 0.00 61.98 62.01 1kqb s VAL 82 Cb -0.14 -3.37 0.01 0.00 0.00 0.00 0.00 36.38 32.88 1kqb s VAL 82 CO -0.09 0.37 0.21 -0.69 0.00 0.00 0.00 175.10 174.90 1kqb s VAL 83 N 0.98 4.81 -0.22 2.92 1.01 0.53 0.51 120.40 130.94 1kqb s VAL 83 Ca 0.06 -0.56 -0.26 0.00 0.00 0.00 0.00 61.98 61.23 1kqb s VAL 83 Cb -0.13 -3.56 -0.00 0.00 0.00 0.00 0.00 36.38 32.68 1kqb s VAL 83 CO 0.04 -0.10 0.88 -0.36 0.00 0.00 0.00 175.10 175.56 1kqb s PHE 84 N 1.62 3.35 0.09 5.22 0.40 0.64 -2.03 117.98 127.27 1kqb s PHE 84 Ca 0.04 1.24 0.10 0.00 -0.60 0.00 0.00 56.93 57.71 1kqb s PHE 84 Cb -0.18 -3.09 -0.03 0.00 0.51 0.00 0.00 43.02 40.23 1kqb s PHE 84 CO 0.08 -0.37 -0.26 0.00 0.70 0.00 0.00 175.22 175.37 1kqb s ALA 86 N -0.94 3.16 0.62 0.00 0.00 -0.31 -1.86 121.76 122.42 1kqb s ALA 86 Ca 0.12 -1.34 -0.17 0.00 0.00 0.00 0.00 51.96 50.57 1kqb s ALA 86 Cb -0.10 -0.97 -0.02 0.00 0.00 0.00 0.00 23.12 22.03 1kqb s ALA 86 CO 0.04 0.52 1.13 0.15 0.00 0.00 0.00 175.76 177.60 1kqb s LYS 87 N -2.80 2.95 0.18 0.00 1.02 -0.65 -1.31 119.74 119.13 1kqb s LYS 87 Ca 0.26 1.54 0.24 0.00 0.02 0.00 0.00 55.97 58.03 1kqb s LYS 87 Cb -0.10 -1.96 0.24 0.00 -0.52 0.00 0.00 37.83 35.49 1kqb s LYS 87 CO 0.18 -1.16 1.26 1.79 -0.92 0.00 0.00 175.35 176.50 1kqb h THR 88 N 0.48 0.00 -2.27 2.17 1.35 -1.67 -3.45 112.91 109.52 1kqb h THR 88 Ca -0.48 -0.71 -0.07 0.00 -0.55 0.00 0.00 66.41 64.59 1kqb h THR 88 Cb 1.26 1.31 -0.20 0.00 -1.73 0.00 0.00 68.15 68.80 1kqb h THR 88 CO 0.55 0.00 0.06 0.00 -0.25 0.00 0.00 175.52 175.88 1kqb s ALA 89 N -3.24 -1.52 -0.53 6.62 0.00 -1.26 -4.59 121.76 117.25 1kqb s ALA 89 Ca 0.04 1.14 -0.19 0.00 0.00 0.00 0.00 51.96 52.95 1kqb s ALA 89 Cb 0.11 -0.10 0.07 0.00 0.00 0.00 0.00 23.12 23.19 1kqb s ALA 89 CO 0.74 -0.34 0.66 1.41 0.00 0.00 0.00 175.76 178.23 1kqb s MET 90 N -1.04 3.11 0.30 0.00 1.75 -1.26 -5.04 119.30 117.12 1kqb s MET 90 Ca -0.10 -0.95 -0.07 0.00 -1.25 0.00 0.00 55.69 53.32 1kqb s MET 90 Cb -0.02 -4.13 -0.06 0.00 2.84 0.00 0.00 34.83 33.46 1kqb s MET 90 CO 0.08 -1.30 0.60 0.16 -0.65 0.00 0.00 175.02 173.91 1kqb s ASP 91 N 2.88 6.50 0.27 1.11 -4.77 -1.26 -5.00 116.67 116.40 1kqb s ASP 91 Ca 0.15 0.84 -0.03 0.00 -3.30 0.00 0.00 52.55 50.21 1kqb s ASP 91 Cb -0.20 -2.20 0.38 0.00 -1.09 0.00 0.00 42.92 39.81 1kqb s ASP 91 CO 0.11 -0.22 1.91 0.44 0.70 0.00 0.00 175.17 178.12 1kqb h ASP 92 N 1.76 1.05 -0.84 2.11 5.19 -2.00 -2.57 116.42 121.13 1kqb h ASP 92 Ca -0.47 -0.01 0.11 0.00 -0.62 0.00 0.00 57.03 56.04 1kqb h ASP 92 Cb 1.19 -0.24 -0.08 0.00 0.18 0.00 0.00 39.33 40.37 1kqb h ASP 92 CO 0.66 0.72 0.46 0.00 -3.12 0.00 0.00 179.24 177.96 1kqb h ALA 93 N 1.44 1.22 -0.27 3.45 0.00 -1.99 -0.01 119.26 123.10 1kqb h ALA 93 Ca 0.39 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.30 1kqb h ALA 93 Cb 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1kqb h ALA 93 CO -0.12 0.03 -0.03 2.35 0.00 0.00 0.00 179.25 181.48 1kqb h TRP 94 N 0.74 0.55 -0.70 0.00 2.91 -1.87 -1.46 115.95 116.12 1kqb h TRP 94 Ca 0.42 -0.11 0.03 0.00 1.13 0.00 0.00 58.89 60.36 1kqb h TRP 94 Cb 0.47 -0.14 -0.04 0.00 -0.51 0.00 0.00 29.16 28.94 1kqb h TRP 94 CO -0.07 0.68 0.46 -0.07 -1.03 0.00 0.00 178.44 178.41 1kqb h LEU 95 N 0.26 0.74 -0.65 0.65 3.38 -1.21 -0.89 115.31 117.59 1kqb h LEU 95 Ca 0.07 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 1kqb h LEU 95 Cb 0.48 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1kqb h LEU 95 CO 0.02 0.52 -0.18 -0.33 0.09 0.00 0.00 178.44 178.55 1kqb h GLU 96 N 0.86 0.87 -0.68 1.13 5.08 -0.75 -2.69 114.58 118.40 1kqb h GLU 96 Ca 0.27 -0.34 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 1kqb h GLU 96 Cb 0.02 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 1kqb h GLU 96 CO -0.07 0.98 0.20 0.00 -1.00 0.00 0.00 179.01 179.12 1kqb h ARG 97 N 0.76 1.04 0.15 2.33 3.08 -0.12 -0.80 114.38 120.82 1kqb h ARG 97 Ca 0.11 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 1kqb h ARG 97 Cb 0.71 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.61 1kqb h ARG 97 CO 0.05 0.89 -0.07 0.28 -1.07 0.00 0.00 179.97 180.06 1kqb h VAL 98 N 1.00 0.90 -0.20 2.04 2.07 -1.06 -0.42 116.25 120.58 1kqb h VAL 98 Ca 0.22 -0.18 -0.11 0.00 0.82 0.00 0.00 66.70 67.45 1kqb h VAL 98 Cb 0.29 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1kqb h VAL 98 CO -0.01 0.04 -0.36 1.62 0.02 0.00 0.00 177.57 178.88 1kqb h VAL 99 N -0.28 1.29 -0.31 2.57 3.04 -1.40 -0.99 116.25 120.18 1kqb h VAL 99 Ca -0.02 -1.47 -0.10 0.00 -1.01 0.00 0.00 66.70 64.10 1kqb h VAL 99 Cb 0.22 1.54 -0.01 0.00 -2.01 0.00 0.00 31.29 31.03 1kqb h VAL 99 CO 0.03 0.46 -0.23 0.44 -1.01 0.00 0.00 177.57 177.26 1kqb h ASP 100 N 0.36 0.59 -0.45 3.17 3.32 -1.03 -1.20 116.42 121.19 1kqb h ASP 100 Ca 0.04 -0.20 -0.14 0.00 0.02 0.00 0.00 57.03 56.75 1kqb h ASP 100 Cb 0.81 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 1kqb h ASP 100 CO 0.07 0.82 -0.26 -0.61 -1.72 0.00 0.00 179.24 177.53 1kqb h GLN 101 N 0.52 0.98 -0.84 3.56 5.75 -0.70 -0.65 115.11 123.73 1kqb h GLN 101 Ca 0.08 -0.45 -0.02 0.00 -0.15 0.00 0.00 58.65 58.11 1kqb h GLN 101 Cb 0.67 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 29.17 1kqb h GLN 101 CO 0.05 1.12 0.44 0.93 -2.65 0.00 0.00 178.83 178.72 1kqb h GLU 102 N 0.82 1.18 -0.35 1.69 5.08 -0.85 -0.12 114.58 122.03 1kqb h GLU 102 Ca 0.10 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1kqb h GLU 102 Cb 0.85 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1kqb h GLU 102 CO 0.08 0.87 0.07 1.49 -1.00 0.00 0.00 179.01 180.52 1kqb h GLU 103 N 1.18 0.57 -0.37 2.33 4.81 -0.95 -1.76 114.58 120.38 1kqb h GLU 103 Ca 0.29 -0.14 0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1kqb h GLU 103 Cb 0.05 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 1kqb h GLU 103 CO -0.04 0.63 0.25 0.00 -0.73 0.00 0.00 179.01 179.11 1kqb h ALA 104 N 0.92 1.76 -0.09 2.92 0.00 -0.51 -0.90 119.26 123.36 1kqb h ALA 104 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1kqb h ALA 104 Cb 0.32 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1kqb h ALA 104 CO 0.00 0.21 0.00 -0.25 0.00 0.00 0.00 179.25 179.22 1kqb n ASP 105 N -4.48 0.77 -0.50 0.00 8.00 -0.11 -4.92 116.55 115.29 1kqb n ASP 105 Ca 0.03 -1.61 -0.04 0.00 0.71 0.00 0.00 54.79 53.87 1kqb n ASP 105 Cb 0.08 -0.06 -0.00 0.00 -0.02 0.00 0.00 41.12 41.12 1kqb n ASP 105 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1kqb n GLY 106 N 0.92 0.21 0.09 0.44 0.00 -0.34 -4.96 105.19 101.55 1kqb n GLY 106 Ca 0.14 -0.71 0.14 0.00 0.00 0.00 0.00 46.02 45.58 1kqb n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kqb n ARG 107 N -1.51 0.46 -5.22 1.61 1.74 -0.70 -4.81 116.66 108.23 1kqb n ARG 107 Ca -0.05 -0.18 -0.32 0.00 -0.77 0.00 0.00 57.85 56.53 1kqb n ARG 107 Cb 0.52 -1.50 -0.16 0.00 -1.02 0.00 0.00 32.46 30.30 1kqb n ARG 107 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1kqb s PHE 108 N -2.66 2.49 -0.87 -1.55 0.08 -1.26 -5.01 117.98 109.20 1kqb s PHE 108 Ca 0.22 -0.78 0.23 0.00 0.12 0.00 0.00 56.93 56.72 1kqb s PHE 108 Cb 0.19 -1.64 0.05 0.00 -0.57 0.00 0.00 43.02 41.05 1kqb s PHE 108 CO 0.53 -0.25 1.06 0.27 -0.10 0.00 0.00 175.22 176.73 1kqb n ASN 109 N 3.09 0.72 -3.87 1.36 6.94 -1.26 -4.96 115.26 117.27 1kqb n ASN 109 Ca -0.18 -0.55 -0.09 0.00 -0.02 0.00 0.00 54.58 53.74 1kqb n ASN 109 Cb 0.52 0.77 -0.07 0.00 -2.36 0.00 0.00 39.78 38.64 1kqb n ASN 109 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1kqb s THR 110 N -3.07 0.13 0.32 5.53 -4.23 -1.26 -5.03 115.64 108.04 1kqb s THR 110 Ca 0.07 -1.21 0.03 0.00 -1.18 0.00 0.00 61.69 59.41 1kqb s THR 110 Cb 0.16 -1.40 0.14 0.00 1.34 0.00 0.00 72.50 72.73 1kqb s THR 110 CO 0.81 -0.61 1.83 -0.65 -0.54 0.00 0.00 174.62 175.46 1kqb h PRO 111 N 2.73 0.54 -0.77 3.99 0.11 -2.00 -2.17 132.00 134.43 1kqb h PRO 111 Ca -0.34 -0.13 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1kqb h PRO 111 Cb 1.20 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 1kqb h PRO 111 CO 0.55 0.60 0.46 0.93 -0.21 0.00 0.00 178.00 180.34 1kqb h GLU 112 N 0.51 1.04 -0.62 1.05 3.07 -1.99 -0.89 114.58 116.76 1kqb h GLU 112 Ca 0.10 -0.09 -0.06 0.00 -0.50 0.00 0.00 59.36 58.81 1kqb h GLU 112 Cb 0.40 -0.22 -0.03 0.00 -0.84 0.00 0.00 28.75 28.07 1kqb h GLU 112 CO 0.02 0.73 0.14 0.00 -1.40 0.00 0.00 179.01 178.50 1kqb h ALA 113 N 1.45 0.81 -0.33 3.43 0.00 -1.80 -1.12 119.26 121.71 1kqb h ALA 113 Ca 0.28 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1kqb h ALA 113 Cb -0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1kqb h ALA 113 CO -0.05 0.53 0.09 -0.22 0.00 0.00 0.00 179.25 179.60 1kqb h LYS 114 N 0.91 0.52 -0.79 0.00 3.64 -1.11 -2.10 116.57 117.63 1kqb h LYS 114 Ca 0.19 -0.12 0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1kqb h LYS 114 Cb 0.37 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.07 1kqb h LYS 114 CO 0.00 0.57 0.51 0.00 -2.27 0.00 0.00 179.45 178.27 1kqb h ALA 115 N 0.92 1.03 -0.61 5.00 0.00 -0.96 -0.50 119.26 124.13 1kqb h ALA 115 Ca 0.10 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1kqb h ALA 115 Cb 0.28 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1kqb h ALA 115 CO -0.00 0.35 0.13 0.00 0.00 0.00 0.00 179.25 179.73 1kqb h ALA 116 N 1.32 1.08 -0.47 0.00 0.00 -1.06 0.11 119.26 120.23 1kqb h ALA 116 Ca 0.31 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1kqb h ALA 116 Cb -0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1kqb h ALA 116 CO -0.10 0.61 -0.07 -0.97 0.00 0.00 0.00 179.25 178.72 1kqb h ASN 117 N 0.92 0.88 -0.37 0.00 -0.73 -0.82 -0.64 115.58 114.83 1kqb h ASN 117 Ca 0.19 -0.34 -0.06 0.00 1.87 0.00 0.00 56.30 57.96 1kqb h ASN 117 Cb 0.35 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 38.69 1kqb h ASN 117 CO 0.00 1.02 -0.00 -0.74 -0.37 0.00 0.00 177.43 177.34 1kqb h HIS 118 N 0.73 0.71 -0.55 0.67 2.76 -0.80 -1.59 115.15 117.09 1kqb h HIS 118 Ca 0.12 -0.12 -0.03 0.00 -2.20 0.00 0.00 60.37 58.14 1kqb h HIS 118 Cb 0.61 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 29.36 1kqb h HIS 118 CO 0.05 0.75 0.24 -0.22 -1.30 0.00 0.00 177.93 177.44 1kqb h LYS 119 N 0.47 0.81 -0.54 5.26 3.64 -0.67 -1.41 116.57 124.13 1kqb h LYS 119 Ca 0.10 -0.14 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 1kqb h LYS 119 Cb 0.46 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 1kqb h LYS 119 CO 0.02 0.69 0.11 0.78 -2.27 0.00 0.00 179.45 178.78 1kqb h GLY 120 N 0.75 0.94 1.01 5.01 0.00 -1.03 -1.39 103.07 108.36 1kqb h GLY 120 Ca 0.19 -0.60 -0.05 0.00 0.00 0.00 0.00 47.33 46.87 1kqb h GLY 120 CO -0.02 0.56 0.20 -0.09 0.00 0.00 0.00 176.54 177.19 1kqb h ARG 121 N 0.76 0.96 -0.46 4.80 2.43 -1.10 -2.52 114.38 119.25 1kqb h ARG 121 Ca 0.17 -0.21 -0.06 0.00 -0.81 0.00 0.00 59.98 59.07 1kqb h ARG 121 Cb 0.36 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 1kqb h ARG 121 CO 0.01 0.85 0.02 1.15 -1.51 0.00 0.00 179.97 180.49 1kqb h THR 122 N 0.89 1.23 -0.24 0.20 2.02 -1.09 0.14 112.91 116.07 1kqb h THR 122 Ca 0.20 -0.92 -0.00 0.00 0.77 0.00 0.00 66.41 66.46 1kqb h THR 122 Cb 0.29 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1kqb h THR 122 CO -0.01 0.33 0.14 0.22 0.37 0.00 0.00 175.52 176.56 1kqb h TYR 123 N 0.70 0.32 -0.02 3.16 5.03 -0.87 0.12 116.97 125.41 1kqb h TYR 123 Ca 0.14 -0.00 -0.18 0.00 2.58 0.00 0.00 58.73 61.27 1kqb h TYR 123 Cb 0.39 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.56 1kqb h TYR 123 CO 0.02 0.26 -0.79 0.74 -1.32 0.00 0.00 178.16 177.07 1kqb h PHE 124 N 0.28 0.26 -0.64 -3.82 0.04 -1.29 -2.07 116.94 109.70 1kqb h PHE 124 Ca 0.08 -0.13 -0.05 0.00 2.80 0.00 0.00 57.97 60.67 1kqb h PHE 124 Cb 0.04 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.13 1kqb h PHE 124 CO -0.04 0.90 0.20 0.00 -0.60 0.00 0.00 178.31 178.77 1kqb h ALA 125 N 1.06 0.84 -0.09 2.45 0.00 -0.75 -2.54 119.26 120.23 1kqb h ALA 125 Ca -0.03 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 1kqb h ALA 125 Cb 1.37 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1kqb h ALA 125 CO 0.12 0.51 -0.34 -0.44 0.00 0.00 0.00 179.25 179.10 1kqb h ASP 126 N 0.92 0.17 -0.83 0.00 3.32 -0.64 0.20 116.42 119.56 1kqb h ASP 126 Ca 0.21 -0.06 0.06 0.00 0.02 0.00 0.00 57.03 57.26 1kqb h ASP 126 Cb 0.29 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.74 1kqb h ASP 126 CO -0.01 0.50 0.54 -0.03 -1.72 0.00 0.00 179.24 178.53 1kqb h MET 127 N 0.15 0.90 0.12 3.56 4.05 -0.94 0.25 114.93 123.01 1kqb h MET 127 Ca 0.02 -0.05 -0.27 0.00 -0.28 0.00 0.00 59.70 59.11 1kqb h MET 127 Cb 0.67 -0.20 -0.00 0.00 -0.80 0.00 0.00 31.60 31.27 1kqb h MET 127 CO 0.05 0.59 -1.39 0.45 0.23 0.00 0.00 176.91 176.85 1kqb h HIS 128 N 0.92 0.46 -0.18 1.39 3.86 -1.24 -0.28 115.15 120.09 1kqb h HIS 128 Ca 0.35 -0.34 -0.13 0.00 -1.16 0.00 0.00 60.37 59.10 1kqb h HIS 128 Cb 0.20 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 1kqb h HIS 128 CO -0.00 1.54 -0.43 0.00 0.86 0.00 0.00 177.93 179.90 1kqb h ARG 129 N -0.29 0.43 0.00 2.45 3.08 -0.45 0.19 114.38 119.78 1kqb h ARG 129 Ca -0.29 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.54 1kqb h ARG 129 Cb 1.77 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.82 1kqb h ARG 129 CO 0.07 0.78 -0.30 0.28 -1.07 0.00 0.00 179.97 179.73 1kqb n VAL 130 N -4.01 0.68 -0.04 2.04 0.31 0.85 -4.33 118.33 113.84 1kqb n VAL 130 Ca -0.02 0.28 -0.11 0.00 -0.01 0.00 0.00 64.34 64.48 1kqb n VAL 130 Cb 0.52 -1.67 -0.05 0.00 -0.91 0.00 0.00 33.84 31.73 1kqb n VAL 130 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1kqb h ASP 131 N -0.30 0.21 0.45 4.52 3.32 -1.48 -3.30 116.42 119.85 1kqb h ASP 131 Ca 0.00 -0.12 -0.05 0.00 0.02 0.00 0.00 57.03 56.88 1kqb h ASP 131 Cb 0.30 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1kqb h ASP 131 CO 0.00 0.27 -1.60 0.18 -1.72 0.00 0.00 179.24 176.37 1kqb n LEU 132 N -4.90 0.42 -3.79 1.55 4.77 -0.12 -4.99 117.00 109.94 1kqb n LEU 132 Ca -0.04 0.17 -0.25 0.00 -0.03 0.00 0.00 56.01 55.86 1kqb n LEU 132 Cb 0.09 0.03 0.03 0.00 -2.33 0.00 0.00 43.42 41.24 1kqb n LEU 132 CO 0.34 -0.01 0.00 0.29 -1.33 0.00 0.00 177.39 176.69 1kqb n LYS 133 N -2.54 -5.15 -0.99 3.23 4.76 0.46 -4.89 118.16 113.06 1kqb n LYS 133 Ca -0.06 0.61 0.04 0.00 -2.87 0.00 0.00 58.31 56.03 1kqb n LYS 133 Cb 0.65 -5.29 0.05 0.00 -1.84 0.00 0.00 35.03 28.60 1kqb n LYS 133 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1kqb n ASP 134 N -2.97 0.95 0.28 4.39 5.75 -0.10 -4.86 116.55 120.00 1kqb n ASP 134 Ca -0.16 -2.38 0.13 0.00 -0.01 0.00 0.00 54.79 52.37 1kqb n ASP 134 Cb 0.62 -0.32 0.81 0.00 -1.03 0.00 0.00 41.12 41.20 1kqb n ASP 134 CO 0.00 0.00 0.00 -2.24 -0.11 0.00 0.00 177.20 174.85 1kqb h ASP 135 N 0.66 0.00 -0.43 -1.12 2.03 -1.88 -0.30 116.42 115.38 1kqb h ASP 135 Ca -0.12 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 56.11 1kqb h ASP 135 Cb 1.56 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 40.04 1kqb h ASP 135 CO 0.05 0.04 -0.04 -2.24 -1.03 0.00 0.00 179.24 176.02 1kqb h ASP 136 N 0.00 0.78 -0.33 4.15 -0.00 -1.89 -1.10 116.42 118.03 1kqb h ASP 136 Ca -0.00 -0.33 -0.18 0.00 -0.00 0.00 0.00 57.03 56.52 1kqb h ASP 136 Cb 0.09 -0.21 -0.00 0.00 -0.00 0.00 0.00 39.33 39.21 1kqb h ASP 136 CO 0.01 0.92 -0.48 1.56 -0.00 0.00 0.00 179.24 181.24 1kqb h GLN 137 N 0.62 0.91 -0.70 4.15 1.08 -1.68 -1.96 115.11 117.52 1kqb h GLN 137 Ca 0.12 -0.54 0.02 0.00 -1.45 0.00 0.00 58.65 56.80 1kqb h GLN 137 Cb 0.55 0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.98 1kqb h GLN 137 CO 0.03 1.18 0.45 2.35 -0.95 0.00 0.00 178.83 181.89 1kqb h TRP 138 N 0.72 0.84 -0.19 2.96 7.01 -0.97 -0.94 115.95 125.38 1kqb h TRP 138 Ca 0.03 0.02 -0.18 0.00 2.11 0.00 0.00 58.89 60.88 1kqb h TRP 138 Cb 1.09 -0.28 -0.00 0.00 -2.10 0.00 0.00 29.16 27.87 1kqb h TRP 138 CO 0.07 0.49 -0.60 0.52 -2.79 0.00 0.00 178.44 176.13 1kqb h MET 139 N 0.89 0.65 -0.58 2.65 2.86 -1.16 -2.96 114.93 117.28 1kqb h MET 139 Ca 0.28 -0.44 -0.03 0.00 -2.06 0.00 0.00 59.70 57.45 1kqb h MET 139 Cb -0.02 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.68 1kqb h MET 139 CO -0.09 1.06 0.24 0.00 1.06 0.00 0.00 176.91 179.17 1kqb h ALA 140 N 0.84 1.33 -0.34 6.32 0.00 -0.96 -1.61 119.26 124.85 1kqb h ALA 140 Ca -0.00 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1kqb h ALA 140 Cb 1.18 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1kqb h ALA 140 CO 0.12 0.50 -0.08 0.87 0.00 0.00 0.00 179.25 180.66 1kqb h LYS 141 N 0.83 0.56 -0.19 0.00 1.57 -1.05 -0.82 116.57 117.47 1kqb h LYS 141 Ca 0.20 -0.15 -0.10 0.00 -1.87 0.00 0.00 60.65 58.73 1kqb h LYS 141 Cb 0.15 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1kqb h LYS 141 CO -0.02 0.64 -0.32 1.96 -0.57 0.00 0.00 179.45 181.14 1kqb h GLN 142 N 0.52 0.37 -0.32 3.15 1.08 -1.16 -1.19 115.11 117.56 1kqb h GLN 142 Ca 0.10 -0.15 -0.15 0.00 -1.45 0.00 0.00 58.65 56.99 1kqb h GLN 142 Cb 0.45 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.86 1kqb h GLN 142 CO 0.02 0.65 -0.41 0.28 -0.95 0.00 0.00 178.83 178.42 1kqb h VAL 143 N 0.32 1.28 -0.33 -0.54 2.07 -0.65 -1.79 116.25 116.62 1kqb h VAL 143 Ca 0.04 -1.59 -0.08 0.00 0.82 0.00 0.00 66.70 65.88 1kqb h VAL 143 Cb 0.72 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 1kqb h VAL 143 CO 0.06 0.52 -0.15 1.88 0.02 0.00 0.00 177.57 179.90 1kqb h TYR 144 N 0.64 0.64 -0.75 1.57 -1.99 -0.77 -1.10 116.97 115.20 1kqb h TYR 144 Ca 0.05 -0.11 -0.04 0.00 2.00 0.00 0.00 58.73 60.63 1kqb h TYR 144 Cb 0.98 -0.17 -0.03 0.00 2.00 0.00 0.00 36.73 39.51 1kqb h TYR 144 CO 0.05 0.70 0.32 1.25 -0.00 0.00 0.00 178.16 180.49 1kqb h LEU 145 N 0.53 1.02 -0.60 3.88 6.46 -0.97 -1.12 115.31 124.50 1kqb h LEU 145 Ca 0.09 -0.14 -0.02 0.00 -0.12 0.00 0.00 57.88 57.69 1kqb h LEU 145 Cb 0.57 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 40.20 1kqb h LEU 145 CO 0.04 0.89 0.30 -1.13 -0.62 0.00 0.00 178.44 177.91 1kqb h ASN 146 N 1.09 0.78 -0.91 1.25 -0.73 -0.57 -1.60 115.58 114.88 1kqb h ASN 146 Ca 0.26 -0.12 0.02 0.00 1.87 0.00 0.00 56.30 58.32 1kqb h ASN 146 Cb 0.18 -0.20 -0.05 0.00 0.27 0.00 0.00 38.32 38.52 1kqb h ASN 146 CO -0.02 0.69 0.60 0.58 -0.37 0.00 0.00 177.43 178.90 1kqb h VAL 147 N 0.82 1.20 -0.52 2.57 2.07 -0.44 0.85 116.25 122.79 1kqb h VAL 147 Ca 0.21 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 1kqb h VAL 147 Cb 0.10 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 29.74 1kqb h VAL 147 CO -0.03 0.22 0.23 1.23 0.02 0.00 0.00 177.57 179.25 1kqb h GLY 148 N 1.20 0.82 0.98 2.17 0.00 -0.65 -0.44 103.07 107.14 1kqb h GLY 148 Ca 0.35 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 1kqb h GLY 148 CO -0.09 0.40 0.16 -0.57 0.00 0.00 0.00 176.54 176.44 1kqb h ASN 149 N 0.70 0.32 0.02 0.19 -1.24 -0.81 -3.06 115.58 111.71 1kqb h ASN 149 Ca 0.18 -0.05 0.00 0.00 0.71 0.00 0.00 56.30 57.14 1kqb h ASN 149 Cb 0.15 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.11 1kqb h ASN 149 CO -0.02 0.28 -0.04 0.15 -1.29 0.00 0.00 177.43 176.51 1kqb h PHE 150 N 0.34 -0.09 -0.76 0.67 3.57 -0.45 -1.12 116.94 119.10 1kqb h PHE 150 Ca 0.10 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.65 1kqb h PHE 150 Cb 0.01 0.04 -0.05 0.00 2.79 0.00 0.00 35.95 38.74 1kqb h PHE 150 CO -0.05 -0.06 0.47 -0.07 -2.23 0.00 0.00 178.31 176.38 1kqb h LEU 151 N -0.07 0.75 -0.33 0.59 3.38 -1.08 0.60 115.31 119.13 1kqb h LEU 151 Ca 0.01 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.84 1kqb h LEU 151 Cb 0.08 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1kqb h LEU 151 CO -0.03 0.50 -0.40 0.25 0.09 0.00 0.00 178.44 178.85 1kqb h LEU 152 N 0.88 0.93 0.11 1.67 5.85 -1.45 -2.29 115.31 121.02 1kqb h LEU 152 Ca 0.32 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1kqb h LEU 152 Cb 0.10 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1kqb h LEU 152 CO -0.15 1.23 -0.11 1.23 -0.34 0.00 0.00 178.44 180.30 1kqb h GLY 153 N 0.65 -0.22 1.60 3.75 0.00 -0.51 0.01 103.07 108.35 1kqb h GLY 153 Ca 0.05 0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.46 1kqb h GLY 153 CO 0.10 -0.11 0.06 -0.39 0.00 0.00 0.00 176.54 176.19 1kqb h VAL 154 N -0.24 1.17 -0.67 4.60 -1.51 -0.94 -1.70 116.25 116.96 1kqb h VAL 154 Ca 0.00 -0.63 -0.04 0.00 -1.23 0.00 0.00 66.70 64.80 1kqb h VAL 154 Cb 0.23 0.85 -0.03 0.00 -2.13 0.00 0.00 31.29 30.21 1kqb h VAL 154 CO -0.03 0.22 0.25 1.23 -1.23 0.00 0.00 177.57 178.02 1kqb h GLY 155 N 0.76 1.08 2.00 5.19 0.00 -0.87 -0.91 103.07 110.32 1kqb h GLY 155 Ca 0.12 -0.60 -0.04 0.00 0.00 0.00 0.00 47.33 46.80 1kqb h GLY 155 CO 0.00 0.57 -0.18 0.00 0.00 0.00 0.00 176.54 176.93 1kqb h ALA 156 N 1.11 1.25 0.00 3.60 0.00 -0.26 -1.17 119.26 123.80 1kqb h ALA 156 Ca 0.22 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1kqb h ALA 156 Cb 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1kqb h ALA 156 CO -0.02 0.23 0.00 -1.33 0.00 0.00 0.00 179.25 178.13 1kqb n MET 157 N -3.68 0.26 -0.70 0.00 2.81 -0.67 -4.88 117.12 110.26 1kqb n MET 157 Ca -0.01 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1kqb n MET 157 Cb 0.30 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.31 1kqb n MET 157 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1kqb n GLY 158 N 1.24 0.58 3.85 3.03 0.00 -0.44 -5.06 105.19 108.39 1kqb n GLY 158 Ca 0.11 -0.64 -0.25 0.00 0.00 0.00 0.00 46.02 45.25 1kqb n GLY 158 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kqb s LEU 159 N 0.00 3.96 0.14 0.99 1.43 -0.43 -5.03 118.68 119.74 1kqb s LEU 159 Ca 0.00 -0.08 0.03 0.00 -1.03 0.00 0.00 54.13 53.05 1kqb s LEU 159 Cb 0.00 -2.54 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 1kqb s LEU 159 CO 0.00 0.03 0.21 -1.81 0.23 0.00 0.00 176.35 175.00 1kqb s ASP 160 N -3.38 5.99 0.29 2.29 1.01 0.54 -3.95 116.67 119.46 1kqb s ASP 160 Ca 0.32 0.07 -0.20 0.00 0.71 0.00 0.00 52.55 53.45 1kqb s ASP 160 Cb -0.10 -1.72 0.03 0.00 1.01 0.00 0.00 42.92 42.15 1kqb s ASP 160 CO 0.25 0.08 0.77 0.00 0.21 0.00 0.00 175.17 176.49 1kqb s ALA 161 N -1.68 -1.16 -0.23 5.23 0.00 -1.26 -0.87 121.76 121.79 1kqb s ALA 161 Ca 0.33 -0.38 -0.11 0.00 0.00 0.00 0.00 51.96 51.80 1kqb s ALA 161 Cb -0.11 0.78 0.08 0.00 0.00 0.00 0.00 23.12 23.87 1kqb s ALA 161 CO 0.26 -1.03 0.53 0.54 0.00 0.00 0.00 175.76 176.06 1kqb s VAL 162 N -3.41 -0.26 0.22 0.00 0.11 -1.07 -1.83 120.40 114.17 1kqb s VAL 162 Ca 0.13 0.07 -0.28 0.00 -2.93 0.00 0.00 61.98 58.97 1kqb s VAL 162 Cb -0.05 -0.79 -0.09 0.00 -1.53 0.00 0.00 36.38 33.92 1kqb s VAL 162 CO 0.08 0.03 0.87 -2.16 -3.33 0.00 0.00 175.10 170.58 1kqb s PRO 163 N 1.89 4.71 -0.09 1.54 0.04 -1.26 -3.22 135.00 138.61 1kqb s PRO 163 Ca -0.08 1.33 0.01 0.00 0.04 0.00 0.00 61.00 62.30 1kqb s PRO 163 Cb -0.08 -3.22 0.02 0.00 0.04 0.00 0.00 34.50 31.25 1kqb s PRO 163 CO -0.16 0.52 -0.08 0.42 0.04 0.00 0.00 177.00 177.73 1kqb s ILE 164 N -1.21 0.98 -0.16 0.56 1.01 0.74 -4.93 121.20 118.18 1kqb s ILE 164 Ca 0.40 -0.31 0.10 0.00 0.00 0.00 0.00 60.65 60.84 1kqb s ILE 164 Cb -0.24 -0.97 -0.14 0.00 0.01 0.00 0.00 42.46 41.12 1kqb s ILE 164 CO 0.29 0.34 0.29 -0.62 0.00 0.00 0.00 174.94 175.24 1kqb n GLU 165 N 4.49 1.46 -1.63 2.79 1.02 -1.26 -1.53 120.64 125.97 1kqb n GLU 165 Ca -0.17 -0.06 -0.41 0.00 -0.02 0.00 0.00 57.16 56.49 1kqb n GLU 165 Cb 0.51 -1.15 -0.01 0.00 -0.02 0.00 0.00 31.44 30.77 1kqb n GLU 165 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1kqb n GLY 166 N 1.69 4.29 3.41 0.62 0.00 -1.26 -4.83 105.19 109.11 1kqb n GLY 166 Ca -0.01 -1.55 -0.10 0.00 0.00 0.00 0.00 46.02 44.36 1kqb n GLY 166 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1kqb s PHE 167 N 3.16 0.01 -0.59 1.61 -0.71 -1.26 -4.79 117.98 115.41 1kqb s PHE 167 Ca 0.51 -0.35 -0.21 0.00 -1.04 0.00 0.00 56.93 55.83 1kqb s PHE 167 Cb 0.15 0.22 0.07 0.00 -1.21 0.00 0.00 43.02 42.25 1kqb s PHE 167 CO -0.07 -0.80 0.80 0.34 -1.34 0.00 0.00 175.22 174.15 1kqb s ASP 168 N -2.88 6.21 0.50 1.98 -1.08 0.16 -4.90 116.67 116.66 1kqb s ASP 168 Ca 0.10 -1.02 0.28 0.00 -0.52 0.00 0.00 52.55 51.38 1kqb s ASP 168 Cb 0.01 -2.36 1.31 0.00 -1.46 0.00 0.00 42.92 40.42 1kqb s ASP 168 CO -0.05 -1.18 1.99 0.00 0.52 0.00 0.00 175.17 176.45 1kqb h ALA 169 N 9.28 1.15 -0.11 3.66 0.00 -1.88 -0.84 119.26 130.52 1kqb h ALA 169 Ca -0.28 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 1kqb h ALA 169 Cb 1.08 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1kqb h ALA 169 CO 1.09 0.18 -0.10 0.00 0.00 0.00 0.00 179.25 180.42 1kqb h ALA 170 N 1.86 0.16 -0.45 0.00 0.00 -1.94 0.80 119.26 119.69 1kqb h ALA 170 Ca -0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 1kqb h ALA 170 Cb 0.48 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1kqb h ALA 170 CO 0.02 -0.00 0.10 0.82 0.00 0.00 0.00 179.25 180.19 1kqb h ILE 171 N -0.14 1.24 -0.53 0.00 2.04 -1.87 -1.18 117.51 117.06 1kqb h ILE 171 Ca 0.02 -0.83 -0.04 0.00 1.00 0.00 0.00 64.86 65.00 1kqb h ILE 171 Cb 0.61 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 1kqb h ILE 171 CO 0.03 0.29 0.16 0.25 0.00 0.00 0.00 178.15 178.88 1kqb h LEU 172 N 0.60 0.79 -0.55 1.44 5.85 -1.13 0.63 115.31 122.93 1kqb h LEU 172 Ca 0.14 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1kqb h LEU 172 Cb 0.33 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1kqb h LEU 172 CO 0.00 0.79 0.29 0.44 -0.34 0.00 0.00 178.44 179.62 1kqb h ASP 173 N 0.74 0.70 -0.54 1.25 3.32 -0.70 -2.37 116.42 118.82 1kqb h ASP 173 Ca 0.17 -0.11 -0.09 0.00 0.02 0.00 0.00 57.03 57.03 1kqb h ASP 173 Cb 0.29 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1kqb h ASP 173 CO -0.00 0.61 0.02 -0.33 -1.72 0.00 0.00 179.24 177.81 1kqb h GLU 174 N 0.74 0.97 -0.45 3.56 5.08 -0.97 -0.36 114.58 123.15 1kqb h GLU 174 Ca 0.19 -0.28 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 1kqb h GLU 174 Cb 0.07 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1kqb h GLU 174 CO -0.03 0.95 0.07 1.49 -1.00 0.00 0.00 179.01 180.49 1kqb h GLU 175 N 0.90 0.69 -0.48 2.33 4.57 -0.57 -2.94 114.58 119.08 1kqb h GLU 175 Ca 0.17 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1kqb h GLU 175 Cb 0.50 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 1kqb h GLU 175 CO 0.02 0.66 0.00 1.19 -1.18 0.00 0.00 179.01 179.70 1kqb n PHE 176 N -4.28 0.97 -3.87 0.92 3.72 -0.92 -4.97 117.46 109.03 1kqb n PHE 176 Ca 0.03 -0.61 -0.30 0.00 -0.05 0.00 0.00 57.45 56.51 1kqb n PHE 176 Cb 0.23 -0.15 0.01 0.00 -0.94 0.00 0.00 39.48 38.63 1kqb n PHE 176 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1kqb n GLY 177 N 0.65 -0.49 0.21 1.37 0.00 -0.36 -4.89 105.19 101.69 1kqb n GLY 177 Ca 0.20 0.16 -0.06 0.00 0.00 0.00 0.00 46.02 46.33 1kqb n GLY 177 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1kqb h LEU 178 N -1.78 0.47 -0.27 0.99 3.38 -1.41 -3.19 115.31 113.50 1kqb h LEU 178 Ca -0.56 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 57.24 1kqb h LEU 178 Cb 1.36 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.95 1kqb h LEU 178 CO 0.67 0.84 0.05 0.50 0.09 0.00 0.00 178.44 180.59 1kqb h LYS 179 N 0.36 0.14 0.00 1.13 3.64 -1.74 -0.19 116.57 119.91 1kqb h LYS 179 Ca 0.03 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 1kqb h LYS 179 Cb 0.91 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.69 1kqb h LYS 179 CO 0.08 0.09 -0.25 0.93 -2.27 0.00 0.00 179.45 178.03 1kqb h GLU 180 N 0.15 0.00 -0.00 1.90 3.07 -1.90 -2.09 114.58 115.71 1kqb h GLU 180 Ca 0.13 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 1kqb h GLU 180 Cb 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 1kqb h GLU 180 CO -0.17 0.25 -0.07 1.63 -1.40 0.00 0.00 179.01 179.25 1kqb n LYS 181 N -4.19 0.14 -1.40 2.33 5.02 -0.50 -4.93 118.16 114.64 1kqb n LYS 181 Ca -0.02 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1kqb n LYS 181 Cb 0.30 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 1kqb n LYS 181 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1kqb n GLY 182 N 1.44 0.87 3.20 0.72 0.00 -0.34 -5.04 105.19 106.04 1kqb n GLY 182 Ca 0.09 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 1kqb n GLY 182 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1kqb s PHE 183 N -2.02 1.04 -0.11 1.61 0.08 -0.23 -1.78 117.98 116.57 1kqb s PHE 183 Ca 0.00 -1.08 -0.10 0.00 0.12 0.00 0.00 56.93 55.87 1kqb s PHE 183 Cb 0.00 -0.60 0.03 0.00 -0.57 0.00 0.00 43.02 41.88 1kqb s PHE 183 CO 0.00 -0.31 0.30 -0.08 -0.10 0.00 0.00 175.22 175.03 1kqb s THR 184 N -3.79 -0.00 0.16 0.64 -1.32 -0.42 -3.52 115.64 107.39 1kqb s THR 184 Ca 0.22 0.01 -0.30 0.00 -1.21 0.00 0.00 61.69 60.41 1kqb s THR 184 Cb 0.07 -0.42 -0.07 0.00 -1.51 0.00 0.00 72.50 70.57 1kqb s THR 184 CO 0.02 0.00 1.03 -0.94 -2.21 0.00 0.00 174.62 172.52 1kqb s SER 185 N 0.21 7.40 -0.06 8.08 1.04 -1.26 -1.16 113.70 127.94 1kqb s SER 185 Ca -0.00 1.97 -0.02 0.00 0.48 0.00 0.00 55.95 58.37 1kqb s SER 185 Cb -0.02 -2.60 -0.03 0.00 0.10 0.00 0.00 66.02 63.47 1kqb s SER 185 CO -0.00 -0.12 -0.08 0.18 0.98 0.00 0.00 173.24 174.20 1kqb n LEU 186 N 2.41 1.21 -3.83 2.42 4.77 -0.17 -4.84 117.00 118.97 1kqb n LEU 186 Ca 0.02 0.05 -0.13 0.00 -0.03 0.00 0.00 56.01 55.92 1kqb n LEU 186 Cb 0.47 -0.20 -0.14 0.00 -2.33 0.00 0.00 43.42 41.22 1kqb n LEU 186 CO 0.52 0.27 -0.32 -0.69 -1.33 0.00 0.00 177.39 175.85 1kqb s VAL 187 N -2.12 -0.02 -0.15 4.08 1.01 -1.17 -4.76 120.40 117.27 1kqb s VAL 187 Ca -0.09 0.06 -0.04 0.00 0.00 0.00 0.00 61.98 61.90 1kqb s VAL 187 Cb 0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 36.38 36.30 1kqb s VAL 187 CO 0.12 0.02 -0.00 -0.69 0.00 0.00 0.00 175.10 174.55 1kqb s VAL 188 N 0.31 4.22 -0.34 2.92 1.01 -0.58 -0.26 120.40 127.67 1kqb s VAL 188 Ca -0.02 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 61.72 1kqb s VAL 188 Cb -0.04 -2.85 0.11 0.00 0.00 0.00 0.00 36.38 33.60 1kqb s VAL 188 CO -0.01 0.51 0.12 -0.69 0.00 0.00 0.00 175.10 175.03 1kqb s VAL 189 N 0.09 1.27 0.23 2.92 1.01 0.18 -0.18 120.40 125.91 1kqb s VAL 189 Ca 0.01 -1.83 -0.30 0.00 0.00 0.00 0.00 61.98 59.87 1kqb s VAL 189 Cb -0.13 -1.94 -0.09 0.00 0.00 0.00 0.00 36.38 34.22 1kqb s VAL 189 CO 0.02 -0.71 1.20 -2.84 0.00 0.00 0.00 175.10 172.78 1kqb s PRO 190 N 1.22 4.50 -0.00 2.72 0.02 -1.20 -1.33 135.00 140.93 1kqb s PRO 190 Ca 0.12 1.92 0.05 0.00 0.02 0.00 0.00 61.00 63.11 1kqb s PRO 190 Cb -0.19 -3.20 -0.01 0.00 0.02 0.00 0.00 34.50 31.11 1kqb s PRO 190 CO -0.17 -0.05 -0.17 0.08 -0.33 0.00 0.00 177.00 176.37 1kqb s VAL 191 N -0.42 1.32 0.00 3.83 1.01 0.27 -2.58 120.40 123.82 1kqb s VAL 191 Ca 0.51 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.70 1kqb s VAL 191 Cb -0.34 -1.11 0.00 0.00 0.00 0.00 0.00 36.38 34.93 1kqb s VAL 191 CO 0.40 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.42 1kqb n GLY 192 N 2.51 -0.61 2.99 4.51 0.00 -0.05 -1.38 105.19 113.16 1kqb n GLY 192 Ca -0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 1kqb n GLY 192 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1kqb s HIS 193 N -1.20 1.22 0.62 1.61 3.76 -1.26 -0.34 115.29 119.70 1kqb s HIS 193 Ca 0.00 -0.41 -0.17 0.00 -0.15 0.00 0.00 55.06 54.33 1kqb s HIS 193 Cb 0.00 -0.92 -0.02 0.00 1.11 0.00 0.00 32.58 32.75 1kqb s HIS 193 CO 0.00 -0.22 1.17 -3.38 -0.85 0.00 0.00 174.74 171.45 1kqb s HIS 194 N 0.62 2.45 0.53 1.40 -3.43 -1.26 -0.70 115.29 114.90 1kqb s HIS 194 Ca -0.12 1.54 0.05 0.00 -0.80 0.00 0.00 55.06 55.74 1kqb s HIS 194 Cb -0.14 -3.36 0.05 0.00 -1.43 0.00 0.00 32.58 27.69 1kqb s HIS 194 CO 0.02 -2.02 0.73 -1.54 -2.00 0.00 0.00 174.74 169.94 1kqb s SER 195 N -1.94 5.26 0.00 7.38 1.04 0.23 -4.36 113.70 121.31 1kqb s SER 195 Ca 0.73 -0.38 0.16 0.00 0.48 0.00 0.00 55.95 56.94 1kqb s SER 195 Cb -0.26 -0.45 0.83 0.00 0.10 0.00 0.00 66.02 66.24 1kqb s SER 195 CO 0.36 -1.14 1.42 1.33 0.98 0.00 0.00 173.24 176.19 1kqb n VAL 196 N -2.21 0.42 0.23 5.02 0.24 -1.26 -1.98 118.33 118.79 1kqb n VAL 196 Ca 0.10 0.11 0.12 0.00 -2.04 0.00 0.00 64.34 62.63 1kqb n VAL 196 Cb 0.60 -0.85 0.22 0.00 -1.47 0.00 0.00 33.84 32.34 1kqb n VAL 196 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1kqb n GLU 197 N -1.21 2.51 -2.17 7.34 1.02 -1.26 -4.88 120.64 121.98 1kqb n GLU 197 Ca 0.09 -2.31 -0.39 0.00 -0.02 0.00 0.00 57.16 54.53 1kqb n GLU 197 Cb 0.11 -1.51 -0.03 0.00 -0.02 0.00 0.00 31.44 29.99 1kqb n GLU 197 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1kqb s ASP 198 N -1.42 5.51 0.00 1.62 -1.08 -0.84 -4.75 116.67 115.72 1kqb s ASP 198 Ca 0.39 0.16 0.18 0.00 -0.52 0.00 0.00 52.55 52.75 1kqb s ASP 198 Cb 0.23 -2.54 1.03 0.00 -1.46 0.00 0.00 42.92 40.18 1kqb s ASP 198 CO 0.31 -2.23 1.46 2.22 0.52 0.00 0.00 175.17 177.45 1kqb n PHE 199 N 11.85 0.00 0.62 -5.34 -1.74 -1.26 -2.54 117.46 119.04 1kqb n PHE 199 Ca 0.16 0.00 0.06 0.00 -0.56 0.00 0.00 57.45 57.11 1kqb n PHE 199 Cb 0.51 -0.03 -0.05 0.00 1.52 0.00 0.00 39.48 41.43 1kqb n PHE 199 CO 0.00 0.00 0.00 -1.71 -0.56 0.00 0.00 176.76 174.49 1kqb n ASN 200 N -1.03 0.87 0.21 5.98 5.15 -1.26 -4.54 115.26 120.64 1kqb n ASN 200 Ca 0.13 -0.94 0.05 0.00 -0.60 0.00 0.00 54.58 53.22 1kqb n ASN 200 Cb 0.07 0.84 0.45 0.00 -0.53 0.00 0.00 39.78 40.61 1kqb n ASN 200 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1kqb h ALA 201 N 2.01 1.43 0.00 5.20 0.00 -1.81 -3.18 119.26 122.92 1kqb h ALA 201 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1kqb h ALA 201 Cb 0.36 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1kqb h ALA 201 CO 0.00 0.35 -1.25 0.25 0.00 0.00 0.00 179.25 178.60 1kqb n THR 202 N -4.05 0.00 -2.47 0.00 -2.24 -1.26 -4.98 114.28 99.27 1kqb n THR 202 Ca -0.02 -0.15 -0.39 0.00 -2.27 0.00 0.00 64.05 61.22 1kqb n THR 202 Cb 0.34 0.71 -0.04 0.00 -2.10 0.00 0.00 70.33 69.25 1kqb n THR 202 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1kqb s LEU 203 N -3.40 4.35 0.62 3.22 1.43 -1.20 -5.01 118.68 118.69 1kqb s LEU 203 Ca 0.03 2.19 -0.17 0.00 -1.03 0.00 0.00 54.13 55.16 1kqb s LEU 203 Cb 0.15 -3.89 -0.02 0.00 0.03 0.00 0.00 46.19 42.46 1kqb s LEU 203 CO 0.85 -0.35 1.14 -2.16 0.23 0.00 0.00 176.35 176.06 1kqb s PRO 204 N -1.96 2.91 0.39 1.29 0.04 -1.26 -5.00 135.00 131.41 1kqb s PRO 204 Ca 0.51 1.57 -0.23 0.00 0.04 0.00 0.00 61.00 62.90 1kqb s PRO 204 Cb -0.28 -1.95 -0.10 0.00 0.04 0.00 0.00 34.50 32.21 1kqb s PRO 204 CO 0.36 -1.20 0.97 0.15 0.04 0.00 0.00 177.00 177.32 1kqb s LYS 205 N -3.70 4.31 -0.06 4.56 1.02 -1.26 -5.06 119.74 119.56 1kqb s LYS 205 Ca 0.71 1.28 0.01 0.00 0.02 0.00 0.00 55.97 58.00 1kqb s LYS 205 Cb -0.24 -2.45 0.02 0.00 -0.52 0.00 0.00 37.83 34.63 1kqb s LYS 205 CO 0.36 0.03 -0.08 0.45 -0.92 0.00 0.00 175.35 175.19 1kqb s SER 206 N -1.86 1.36 0.04 2.83 0.15 -1.26 -5.13 113.70 109.82 1kqb s SER 206 Ca 0.58 -0.21 -0.06 0.00 0.70 0.00 0.00 55.95 56.96 1kqb s SER 206 Cb -0.15 -0.63 -0.01 0.00 -1.71 0.00 0.00 66.02 63.52 1kqb s SER 206 CO 0.20 -0.02 0.10 -0.13 1.20 0.00 0.00 173.24 174.59 1kqb s ARG 207 N 0.85 0.59 0.57 5.44 1.81 -1.26 -5.15 118.95 121.80 1kqb s ARG 207 Ca -0.12 -0.74 -0.18 0.00 -1.72 0.00 0.00 55.73 52.97 1kqb s ARG 207 Cb -0.15 0.23 -0.05 0.00 -0.45 0.00 0.00 34.95 34.54 1kqb s ARG 207 CO 0.01 -0.15 1.12 -0.51 -0.68 0.00 0.00 175.30 175.10 1kqb s LEU 208 N -2.10 3.67 0.64 2.53 1.43 -1.26 -4.98 118.68 118.61 1kqb s LEU 208 Ca -0.05 2.13 -0.17 0.00 -1.03 0.00 0.00 54.13 55.00 1kqb s LEU 208 Cb -0.01 -4.57 -0.01 0.00 0.03 0.00 0.00 46.19 41.62 1kqb s LEU 208 CO -0.04 -1.30 1.22 -2.16 0.23 0.00 0.00 176.35 174.30 1kqb s PRO 209 N -3.47 2.65 0.51 1.29 0.04 -1.26 -4.85 135.00 129.91 1kqb s PRO 209 Ca 0.71 1.85 0.16 0.00 0.04 0.00 0.00 61.00 63.75 1kqb s PRO 209 Cb -0.23 -1.88 1.24 0.00 0.04 0.00 0.00 34.50 33.66 1kqb s PRO 209 CO 0.30 -1.47 2.14 -0.07 0.04 0.00 0.00 177.00 177.94 1kqb h LEU 210 N 0.46 0.02 -2.19 -3.56 3.38 -1.96 -0.98 115.31 110.48 1kqb h LEU 210 Ca -0.50 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.46 1kqb h LEU 210 Cb 1.30 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.05 1kqb h LEU 210 CO 0.53 0.03 -0.06 0.77 0.09 0.00 0.00 178.44 179.79 1kqb h SER 211 N 0.02 0.00 0.04 -0.43 4.64 -1.92 -0.68 113.55 115.23 1kqb h SER 211 Ca 0.01 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.04 1kqb h SER 211 Cb 0.02 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.08 1kqb h SER 211 CO 0.00 0.06 -1.54 0.41 -0.87 0.00 0.00 176.83 174.89 1kqb n THR 212 N -3.74 1.61 0.66 2.95 -1.04 -0.41 -4.55 114.28 109.77 1kqb n THR 212 Ca -0.02 -0.24 0.12 0.00 -2.04 0.00 0.00 64.05 61.87 1kqb n THR 212 Cb 0.16 -1.94 0.27 0.00 -1.82 0.00 0.00 70.33 67.00 1kqb n THR 212 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 1kqb n ILE 213 N -4.12 0.35 -5.13 12.58 -5.35 -0.98 -4.88 119.36 111.82 1kqb n ILE 213 Ca -0.33 -0.23 -0.30 0.00 -0.27 0.00 0.00 62.75 61.62 1kqb n ILE 213 Cb 0.81 -0.22 -0.16 0.00 -1.74 0.00 0.00 39.64 38.32 1kqb n ILE 213 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1kqb s VAL 214 N -3.12 1.88 -0.16 7.28 1.01 -0.27 -5.07 120.40 121.94 1kqb s VAL 214 Ca 0.08 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1kqb s VAL 214 Cb 0.14 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.92 1kqb s VAL 214 CO 0.68 0.52 -0.15 -0.89 0.00 0.00 0.00 175.10 175.25 1kqb s THR 215 N 0.03 2.59 -0.16 3.92 2.01 -1.26 -4.72 115.64 118.05 1kqb s THR 215 Ca -0.08 -0.79 -0.08 0.00 0.31 0.00 0.00 61.69 61.06 1kqb s THR 215 Cb -0.14 -2.10 -0.04 0.00 0.01 0.00 0.00 72.50 70.23 1kqb s THR 215 CO 0.05 0.51 0.10 -1.61 -0.69 0.00 0.00 174.62 172.98 1kqb s GLU 216 N 0.96 3.80 0.00 4.92 2.02 -1.26 -5.25 118.70 123.88 1kqb s GLU 216 Ca -0.03 -0.25 0.00 0.00 0.02 0.00 0.00 54.97 54.71 1kqb s GLU 216 Cb -0.15 -3.23 0.00 0.00 0.10 0.00 0.00 34.13 30.85 1kqb s GLU 216 CO -0.03 0.46 0.02 0.00 0.02 0.00 0.00 175.26 175.74