#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 1.17 -0.09 5.18 6.09 -2.02 -1.84 117.51 126.00 1kqb h ILE 3 Ca 0.00 -1.08 -0.13 0.00 -1.37 0.00 0.00 64.86 62.28 1kqb h ILE 3 Cb 0.00 1.59 -0.01 0.00 0.47 0.00 0.00 36.82 38.87 1kqb h ILE 3 CO 0.00 0.30 -0.51 0.40 -3.07 0.00 0.00 178.15 175.28 1kqb h ILE 4 N 0.00 1.35 -0.52 2.19 1.08 -2.04 0.13 117.51 119.70 1kqb h ILE 4 Ca -0.00 -1.76 -0.09 0.00 -0.39 0.00 0.00 64.86 62.62 1kqb h ILE 4 Cb 0.57 1.84 -0.02 0.00 -3.07 0.00 0.00 36.82 36.14 1kqb h ILE 4 CO 0.04 0.52 -0.02 0.28 -0.69 0.00 0.00 178.15 178.28 1kqb h SER 5 N 0.19 0.87 -0.28 1.72 0.02 -1.78 -0.97 113.55 113.33 1kqb h SER 5 Ca 0.01 -0.23 -0.07 0.00 -0.84 0.00 0.00 61.79 60.65 1kqb h SER 5 Cb 0.97 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 1kqb h SER 5 CO 0.08 0.95 -0.10 0.58 -1.14 0.00 0.00 176.83 177.20 1kqb h VAL 6 N 0.83 1.29 -0.42 2.27 2.07 -0.82 -0.47 116.25 121.00 1kqb h VAL 6 Ca 0.15 -1.16 0.02 0.00 0.82 0.00 0.00 66.70 66.53 1kqb h VAL 6 Cb 0.52 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 1kqb h VAL 6 CO 0.03 0.37 0.28 0.00 0.02 0.00 0.00 177.57 178.26 1kqb h ALA 7 N 0.76 1.76 0.00 1.67 0.00 -0.45 0.16 119.26 123.16 1kqb h ALA 7 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1kqb h ALA 7 Cb 0.59 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1kqb h ALA 7 CO 0.03 0.21 -0.47 1.28 0.00 0.00 0.00 179.25 180.30 1kqb n LEU 8 N -4.48 0.66 -0.08 0.00 4.77 -0.39 -4.28 117.00 113.19 1kqb n LEU 8 Ca 0.04 0.27 -0.09 0.00 -0.03 0.00 0.00 56.01 56.20 1kqb n LEU 8 Cb 0.10 -0.23 -0.11 0.00 -2.33 0.00 0.00 43.42 40.84 1kqb n LEU 8 CO 0.35 -0.05 -1.04 1.17 -1.33 0.00 0.00 177.39 176.49 1kqb n LYS 9 N -2.03 1.24 -1.36 3.23 3.00 -0.20 -4.90 118.16 117.13 1kqb n LYS 9 Ca 0.04 0.02 -0.35 0.00 -0.00 0.00 0.00 58.31 58.02 1kqb n LYS 9 Cb 0.42 -1.40 0.09 0.00 0.00 0.00 0.00 35.03 34.15 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 -2.70 0.54 -3.73 1.64 1.85 0.48 -5.02 116.66 109.73 1kqb n ARG 10 Ca -0.28 0.25 -0.10 0.00 -1.00 0.00 0.00 57.85 56.73 1kqb n ARG 10 Cb 0.97 -2.35 -0.04 0.00 -1.05 0.00 0.00 32.46 30.00 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 -1.81 -0.14 -0.53 2.89 -3.43 -1.26 -5.00 115.29 106.01 1kqb s HIS 11 Ca 0.75 -0.20 -0.28 0.00 -0.80 0.00 0.00 55.06 54.53 1kqb s HIS 11 Cb -0.34 0.42 0.02 0.00 -1.43 0.00 0.00 32.58 31.25 1kqb s HIS 11 CO 0.48 -0.93 1.25 -1.12 -2.00 0.00 0.00 174.74 172.42 1kqb s SER 12 N -2.87 6.41 0.07 7.38 0.01 -1.26 -4.47 113.70 118.96 1kqb s SER 12 Ca 0.09 0.31 -0.31 0.00 1.31 0.00 0.00 55.95 57.35 1kqb s SER 12 Cb -0.01 -2.55 -0.08 0.00 0.21 0.00 0.00 66.02 63.59 1kqb s SER 12 CO -0.03 -1.47 1.54 -0.89 0.41 0.00 0.00 173.24 172.80 1kqb s THR 13 N 5.13 3.21 -0.79 1.44 2.01 -0.74 -4.79 115.64 121.11 1kqb s THR 13 Ca 0.48 0.71 0.22 0.00 0.31 0.00 0.00 61.69 63.41 1kqb s THR 13 Cb -0.09 -3.46 -0.17 0.00 0.01 0.00 0.00 72.50 68.80 1kqb s THR 13 CO 0.28 0.01 0.97 0.29 -0.69 0.00 0.00 174.62 175.48 1kqb n LYS 14 N 5.11 0.15 -3.66 4.92 4.76 -1.26 -4.66 118.16 123.53 1kqb n LYS 14 Ca 0.14 -0.02 -0.10 0.00 -2.87 0.00 0.00 58.31 55.46 1kqb n LYS 14 Cb 0.41 -1.53 -0.08 0.00 -1.84 0.00 0.00 35.03 31.99 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 -3.11 -1.60 0.11 7.82 0.00 -1.26 -4.76 121.76 118.95 1kqb s ALA 15 Ca 0.06 2.01 0.06 0.00 0.00 0.00 0.00 51.96 54.08 1kqb s ALA 15 Cb 0.16 -1.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.06 1kqb s ALA 15 CO 0.83 -0.33 -0.05 -0.06 0.00 0.00 0.00 175.76 176.15 1kqb s PHE 16 N 1.06 2.85 -0.56 0.00 0.40 -1.26 -1.22 117.98 119.25 1kqb s PHE 16 Ca -0.06 -0.10 -0.25 0.00 -0.60 0.00 0.00 56.93 55.92 1kqb s PHE 16 Cb -0.05 -1.46 0.04 0.00 0.51 0.00 0.00 43.02 42.05 1kqb s PHE 16 CO -0.10 0.46 0.97 0.34 0.70 0.00 0.00 175.22 177.59 1kqb s ASP 17 N -2.34 6.35 0.12 1.36 -1.08 0.64 -4.56 116.67 117.15 1kqb s ASP 17 Ca 0.24 -0.32 0.11 0.00 -0.52 0.00 0.00 52.55 52.06 1kqb s ASP 17 Cb -0.11 -2.45 0.54 0.00 -1.46 0.00 0.00 42.92 39.44 1kqb s ASP 17 CO 0.16 -1.26 1.34 0.00 0.52 0.00 0.00 175.17 175.94 1kqb n ALA 18 N 7.56 1.20 0.36 3.66 0.00 -1.23 -2.05 120.51 130.01 1kqb n ALA 18 Ca 0.02 0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.64 1kqb n ALA 18 Cb 0.48 -1.17 0.05 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.79 0.70 -4.39 0.00 3.41 -1.26 -4.71 113.62 105.57 1kqb n SER 19 Ca 0.00 0.11 -0.45 0.00 -0.26 0.00 0.00 58.87 58.27 1kqb n SER 19 Cb 0.06 0.53 -0.03 0.00 -0.26 0.00 0.00 64.21 64.52 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 -3.27 3.51 0.46 4.33 1.02 -0.87 -5.04 119.74 119.88 1kqb s LYS 20 Ca 0.02 -1.96 -0.06 0.00 0.02 0.00 0.00 55.97 53.99 1kqb s LYS 20 Cb 0.12 -4.62 -0.04 0.00 -0.52 0.00 0.00 37.83 32.77 1kqb s LYS 20 CO 0.78 -1.55 0.78 0.15 -0.92 0.00 0.00 175.35 174.59 1kqb s LYS 21 N 1.70 3.60 0.53 1.68 -0.14 -1.26 -4.33 119.74 121.53 1kqb s LYS 21 Ca 0.23 0.26 -0.18 0.00 -1.36 0.00 0.00 55.97 54.93 1kqb s LYS 21 Cb -0.10 -2.38 -0.07 0.00 -1.68 0.00 0.00 37.83 33.60 1kqb s LYS 21 CO -0.07 -0.16 1.03 -0.51 -0.76 0.00 0.00 175.35 174.89 1kqb s LEU 22 N -4.50 3.67 0.76 3.17 1.43 -1.26 -5.04 118.68 116.91 1kqb s LEU 22 Ca 0.48 1.81 -0.12 0.00 -1.03 0.00 0.00 54.13 55.27 1kqb s LEU 22 Cb -0.10 -4.54 0.05 0.00 0.03 0.00 0.00 46.19 41.62 1kqb s LEU 22 CO 0.41 -0.88 1.11 0.42 0.23 0.00 0.00 176.35 177.65 1kqb s THR 23 N -2.29 3.06 0.29 5.49 -4.23 -1.26 -4.85 115.64 111.85 1kqb s THR 23 Ca 0.64 0.34 -0.02 0.00 -1.18 0.00 0.00 61.69 61.48 1kqb s THR 23 Cb -0.15 -3.26 0.27 0.00 1.34 0.00 0.00 72.50 70.70 1kqb s THR 23 CO 0.28 -0.45 1.95 0.00 -0.54 0.00 0.00 174.62 175.86 1kqb h ALA 24 N -0.88 1.43 -0.53 3.99 0.00 -1.99 -1.03 119.26 120.25 1kqb h ALA 24 Ca -0.46 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.29 1kqb h ALA 24 Cb 1.27 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1kqb h ALA 24 CO 0.63 0.50 -0.10 1.49 0.00 0.00 0.00 179.25 181.77 1kqb h GLU 25 N 1.12 1.01 -0.31 0.00 4.81 -2.00 -2.47 114.58 116.74 1kqb h GLU 25 Ca 0.34 -0.37 -0.08 0.00 -0.13 0.00 0.00 59.36 59.11 1kqb h GLU 25 Cb -0.04 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 1kqb h GLU 25 CO -0.09 1.05 -0.14 0.93 -0.73 0.00 0.00 179.01 180.04 1kqb h GLU 26 N 0.88 0.54 -0.70 1.92 5.08 -1.75 -1.24 114.58 119.31 1kqb h GLU 26 Ca 0.14 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 1kqb h GLU 26 Cb 0.66 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 1kqb h GLU 26 CO 0.05 0.67 0.23 0.00 -1.00 0.00 0.00 179.01 178.96 1kqb h ALA 27 N 1.36 1.09 -0.33 3.43 0.00 -0.91 -1.32 119.26 122.58 1kqb h ALA 27 Ca 0.09 -0.21 -0.17 0.00 0.00 0.00 0.00 54.91 54.62 1kqb h ALA 27 Cb 0.53 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1kqb h ALA 27 CO 0.03 0.63 -0.47 0.93 0.00 0.00 0.00 179.25 180.37 1kqb h GLU 28 N 1.03 0.89 -0.76 0.00 4.39 -1.05 -3.02 114.58 116.06 1kqb h GLU 28 Ca 0.23 -0.51 -0.05 0.00 0.34 0.00 0.00 59.36 59.37 1kqb h GLU 28 Cb 0.27 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.93 1kqb h GLU 28 CO -0.01 1.16 0.27 0.87 -1.16 0.00 0.00 179.01 180.14 1kqb h LYS 29 N 0.70 1.16 0.00 2.33 1.57 -0.82 -1.21 116.57 120.30 1kqb h LYS 29 Ca 0.04 -0.23 -0.09 0.00 -1.87 0.00 0.00 60.65 58.50 1kqb h LYS 29 Cb 1.07 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 1kqb h LYS 29 CO 0.11 0.96 -0.43 -0.84 -0.57 0.00 0.00 179.45 178.68 1kqb h ILE 30 N 1.11 1.30 -0.20 1.86 3.07 -1.28 -1.48 117.51 121.90 1kqb h ILE 30 Ca 0.25 -1.48 -0.15 0.00 1.55 0.00 0.00 64.86 65.03 1kqb h ILE 30 Cb 0.26 1.80 -0.01 0.00 -0.27 0.00 0.00 36.82 38.60 1kqb h ILE 30 CO -0.01 0.42 -0.48 0.11 -1.05 0.00 0.00 178.15 177.13 1kqb h LYS 31 N 0.00 0.53 -0.63 0.16 1.57 -1.30 -2.23 116.57 114.67 1kqb h LYS 31 Ca -0.00 -0.30 -0.08 0.00 -1.87 0.00 0.00 60.65 58.40 1kqb h LYS 31 Cb 0.77 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.07 1kqb h LYS 31 CO 0.06 0.90 0.10 1.15 -0.57 0.00 0.00 179.45 181.08 1kqb h THR 32 N 0.42 1.26 -0.55 -0.16 2.02 -0.67 -0.76 112.91 114.47 1kqb h THR 32 Ca 0.02 -1.01 -0.02 0.00 0.77 0.00 0.00 66.41 66.17 1kqb h THR 32 Cb 1.00 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 68.05 1kqb h THR 32 CO 0.09 0.38 0.26 -0.07 0.37 0.00 0.00 175.52 176.55 1kqb h LEU 33 N 0.97 0.72 -0.40 2.58 3.38 -1.06 0.64 115.31 122.14 1kqb h LEU 33 Ca 0.19 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1kqb h LEU 33 Cb 0.43 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1kqb h LEU 33 CO 0.01 0.65 0.20 -0.07 0.09 0.00 0.00 178.44 179.32 1kqb h LEU 34 N 0.74 0.52 -0.46 1.67 3.38 -1.10 -3.06 115.31 117.00 1kqb h LEU 34 Ca 0.19 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 1kqb h LEU 34 Cb 0.12 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1kqb h LEU 34 CO -0.02 0.49 -0.08 -0.61 0.09 0.00 0.00 178.44 178.31 1kqb h GLN 35 N 0.52 0.86 -0.49 1.13 4.15 -0.85 -3.28 115.11 117.15 1kqb h GLN 35 Ca 0.14 -0.31 0.00 0.00 0.77 0.00 0.00 58.65 59.25 1kqb h GLN 35 Cb 0.10 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.73 1kqb h GLN 35 CO -0.02 0.95 0.00 0.66 -1.93 0.00 0.00 178.83 178.49 1kqb n TYR 36 N -4.29 0.69 -2.01 3.99 4.02 0.19 -4.93 117.16 114.82 1kqb n TYR 36 Ca -0.00 -0.31 -0.38 0.00 -0.01 0.00 0.00 57.90 57.20 1kqb n TYR 36 Cb 0.36 -0.06 0.02 0.00 -0.02 0.00 0.00 39.34 39.63 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 -0.89 5.70 0.84 7.72 0.15 -1.16 -5.00 113.70 121.06 1kqb s SER 37 Ca 0.29 2.54 -0.12 0.00 0.70 0.00 0.00 55.95 59.36 1kqb s SER 37 Cb 0.16 -2.62 0.10 0.00 -1.71 0.00 0.00 66.02 61.95 1kqb s SER 37 CO 0.17 -1.26 1.17 -2.16 1.20 0.00 0.00 173.24 172.37 1kqb s PRO 38 N -2.81 1.71 -0.03 5.44 0.04 -1.26 -5.00 135.00 133.08 1kqb s PRO 38 Ca 0.68 0.14 -0.29 0.00 0.04 0.00 0.00 61.00 61.57 1kqb s PRO 38 Cb -0.35 -1.92 0.10 0.00 0.04 0.00 0.00 34.50 32.37 1kqb s PRO 38 CO 0.41 -1.78 0.82 -1.54 0.04 0.00 0.00 177.00 174.96 1kqb s SER 39 N -4.45 -0.47 0.16 6.66 1.04 -1.26 -4.73 113.70 110.66 1kqb s SER 39 Ca 0.63 0.29 -0.33 0.00 0.48 0.00 0.00 55.95 57.02 1kqb s SER 39 Cb -0.12 0.43 -0.13 0.00 0.10 0.00 0.00 66.02 66.31 1kqb s SER 39 CO 0.50 -0.59 1.67 -0.24 0.98 0.00 0.00 173.24 175.56 1kqb n SER 40 N 0.29 3.50 -0.32 7.02 2.88 -1.26 -0.95 113.62 124.78 1kqb n SER 40 Ca -0.13 1.06 -0.04 0.00 -1.33 0.00 0.00 58.87 58.43 1kqb n SER 40 Cb 0.60 -1.48 -0.02 0.00 -0.75 0.00 0.00 64.21 62.56 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 3.82 0.00 -2.62 2.46 -2.24 -1.26 -1.09 114.28 113.34 1kqb n THR 41 Ca 0.17 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.77 1kqb n THR 41 Cb 0.32 -1.05 0.01 0.00 -2.10 0.00 0.00 70.33 67.51 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 -0.59 -5.25 0.29 3.42 5.15 -0.13 -4.89 115.26 113.26 1kqb n ASN 42 Ca -0.04 -0.13 0.16 0.00 -0.60 0.00 0.00 54.58 53.97 1kqb n ASN 42 Cb 0.47 -4.20 0.86 0.00 -0.53 0.00 0.00 39.78 36.37 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 -0.61 0.00 -6.95 1.20 4.64 -1.28 -3.47 113.55 107.07 1kqb h SER 43 Ca -0.43 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.42 1kqb h SER 43 Cb 1.31 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.34 1kqb h SER 43 CO 0.48 0.06 -0.77 0.00 -0.87 0.00 0.00 176.83 175.73 1kqb n GLN 44 N -3.47 -0.55 -0.93 4.77 6.02 -1.26 -4.73 117.38 117.24 1kqb n GLN 44 Ca -0.02 -0.04 -0.11 0.00 -0.01 0.00 0.00 57.00 56.82 1kqb n GLN 44 Cb 0.19 -1.94 -0.16 0.00 1.02 0.00 0.00 30.24 29.36 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 -4.02 1.86 -4.20 -1.09 -0.04 -1.26 -4.87 135.00 121.39 1kqb n PRO 45 Ca -0.13 -0.93 -0.12 0.00 -0.04 0.00 0.00 63.50 62.27 1kqb n PRO 45 Cb 0.46 -1.96 -0.10 0.00 -0.04 0.00 0.00 33.50 31.86 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 1.13 1.17 -0.07 0.54 -2.14 -1.26 -1.42 118.94 116.89 1kqb s TRP 46 Ca 0.62 -1.37 -0.15 0.00 2.66 0.00 0.00 56.10 57.86 1kqb s TRP 46 Cb 0.30 -0.54 0.03 0.00 -3.10 0.00 0.00 33.47 30.16 1kqb s TRP 46 CO 0.00 -0.67 0.37 -1.58 -2.66 0.00 0.00 176.95 172.41 1kqb s HIS 47 N -4.10 -0.32 -0.04 1.66 2.46 -0.66 -4.89 115.29 109.39 1kqb s HIS 47 Ca 0.38 0.67 0.03 0.00 0.47 0.00 0.00 55.06 56.61 1kqb s HIS 47 Cb 0.06 0.14 0.00 0.00 -0.13 0.00 0.00 32.58 32.66 1kqb s HIS 47 CO 0.13 -0.33 -0.13 -0.06 -2.47 0.00 0.00 174.74 171.88 1kqb s PHE 48 N -0.65 1.39 -0.23 3.88 0.08 -1.26 -1.00 117.98 120.18 1kqb s PHE 48 Ca -0.08 -0.40 -0.08 0.00 0.12 0.00 0.00 56.93 56.49 1kqb s PHE 48 Cb -0.04 -0.96 -0.04 0.00 -0.57 0.00 0.00 43.02 41.41 1kqb s PHE 48 CO 0.03 -0.16 0.10 0.42 -0.10 0.00 0.00 175.22 175.51 1kqb s ILE 49 N 0.20 4.78 -0.39 0.64 1.01 -0.86 -4.93 121.20 121.64 1kqb s ILE 49 Ca -0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 60.65 60.56 1kqb s ILE 49 Cb -0.11 -3.22 0.11 0.00 0.01 0.00 0.00 42.46 39.25 1kqb s ILE 49 CO 0.02 0.36 0.17 -0.69 0.00 0.00 0.00 174.94 174.80 1kqb s VAL 50 N 1.19 3.09 -0.25 2.92 1.01 -1.26 -0.16 120.40 126.94 1kqb s VAL 50 Ca 0.05 -2.08 -0.17 0.00 0.00 0.00 0.00 61.98 59.79 1kqb s VAL 50 Cb -0.14 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 1kqb s VAL 50 CO 0.04 -0.65 0.46 0.00 0.00 0.00 0.00 175.10 174.95 1kqb s ALA 51 N 1.10 3.58 0.00 5.51 0.00 0.07 -4.90 121.76 127.13 1kqb s ALA 51 Ca 0.08 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.40 1kqb s ALA 51 Cb -0.22 -2.80 0.00 0.00 0.00 0.00 0.00 23.12 20.10 1kqb s ALA 51 CO -0.05 -0.63 0.00 -1.13 0.00 0.00 0.00 175.76 173.95 1kqb n SER 52 N 5.27 4.22 -4.84 0.00 3.41 -1.26 -0.78 113.62 119.64 1kqb n SER 52 Ca -0.06 -0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.23 1kqb n SER 52 Cb 0.50 0.85 -0.02 0.00 -0.26 0.00 0.00 64.21 65.28 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 -1.70 4.45 0.25 6.66 -4.23 -1.26 -4.90 115.64 114.90 1kqb s THR 53 Ca 0.00 1.13 -0.06 0.00 -1.18 0.00 0.00 61.69 61.57 1kqb s THR 53 Cb 0.00 -3.69 0.25 0.00 1.34 0.00 0.00 72.50 70.40 1kqb s THR 53 CO 0.00 -0.71 1.92 -0.33 -0.54 0.00 0.00 174.62 174.95 1kqb h GLU 54 N 0.70 1.27 -0.42 3.99 4.39 -1.96 -1.63 114.58 120.92 1kqb h GLU 54 Ca -0.46 -0.08 -0.07 0.00 0.34 0.00 0.00 59.36 59.09 1kqb h GLU 54 Cb 1.19 -0.29 -0.01 0.00 -0.10 0.00 0.00 28.75 29.54 1kqb h GLU 54 CO 0.61 0.84 -0.02 0.93 -1.16 0.00 0.00 179.01 180.21 1kqb h GLU 55 N 1.30 0.75 -0.24 2.33 5.08 -1.98 -0.98 114.58 120.85 1kqb h GLU 55 Ca 0.36 -0.25 0.03 0.00 -1.00 0.00 0.00 59.36 58.50 1kqb h GLU 55 Cb -0.13 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.03 1kqb h GLU 55 CO -0.08 0.84 0.07 0.78 -1.00 0.00 0.00 179.01 179.62 1kqb h GLY 56 N 0.58 0.29 1.30 -3.84 0.00 -1.83 -0.03 103.07 99.54 1kqb h GLY 56 Ca 0.12 -0.04 -0.09 0.00 0.00 0.00 0.00 47.33 47.32 1kqb h GLY 56 CO 0.02 0.02 -0.05 0.50 0.00 0.00 0.00 176.54 177.03 1kqb h LYS 57 N 0.18 0.84 -0.42 4.80 1.57 -1.25 -1.94 116.57 120.35 1kqb h LYS 57 Ca 0.11 -0.26 -0.04 0.00 -1.87 0.00 0.00 60.65 58.59 1kqb h LYS 57 Cb 0.08 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1kqb h LYS 57 CO -0.12 0.87 0.08 0.00 -0.57 0.00 0.00 179.45 179.72 1kqb h ALA 58 N 1.17 1.35 -0.39 3.86 0.00 -0.69 0.16 119.26 124.72 1kqb h ALA 58 Ca 0.14 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1kqb h ALA 58 Cb 0.54 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1kqb h ALA 58 CO 0.03 0.46 -0.10 0.00 0.00 0.00 0.00 179.25 179.65 1kqb h ARG 59 N 0.62 0.76 -0.67 0.00 3.08 -0.56 -2.68 114.38 114.93 1kqb h ARG 59 Ca 0.14 -0.29 -0.07 0.00 0.07 0.00 0.00 59.98 59.82 1kqb h ARG 59 Cb 0.27 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 1kqb h ARG 59 CO 0.00 0.90 0.13 0.28 -1.07 0.00 0.00 179.97 180.20 1kqb h VAL 60 N 0.57 1.26 0.00 2.04 2.07 -0.85 -2.61 116.25 118.73 1kqb h VAL 60 Ca 0.10 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1kqb h VAL 60 Cb 0.62 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1kqb h VAL 60 CO 0.04 0.38 0.00 0.00 0.02 0.00 0.00 177.57 178.01 1kqb h ALA 61 N 1.10 1.00 0.00 1.67 0.00 -0.41 -1.80 119.26 120.82 1kqb h ALA 61 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1kqb h ALA 61 Cb 0.41 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1kqb h ALA 61 CO 0.01 0.00 -0.04 0.87 0.00 0.00 0.00 179.25 180.08 1kqb h LYS 62 N 0.00 0.00 0.00 0.00 1.57 -1.15 -1.00 116.57 115.99 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 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1kqb h LYS 62 CO 0.00 0.04 0.00 -1.13 -0.57 0.00 0.00 179.45 177.79 1kqb n SER 63 N -3.70 0.68 -2.16 0.86 3.41 -0.68 -3.48 113.62 108.55 1kqb n SER 63 Ca -0.03 0.61 -0.23 0.00 -0.26 0.00 0.00 58.87 58.96 1kqb n SER 63 Cb 0.14 -0.78 0.02 0.00 -0.26 0.00 0.00 64.21 63.34 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 -1.76 5.72 -2.12 7.33 0.00 -0.38 -0.57 120.51 128.73 1kqb n ALA 64 Ca 0.04 -2.42 -0.24 0.00 0.00 0.00 0.00 53.44 50.82 1kqb n ALA 64 Cb 0.32 -1.66 0.03 0.00 0.00 0.00 0.00 19.45 18.14 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 -2.24 3.54 0.00 0.00 0.00 -1.23 -2.52 121.76 119.31 1kqb s ALA 65 Ca 0.45 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.45 1kqb s ALA 65 Cb 0.33 -2.35 0.00 0.00 0.00 0.00 0.00 23.12 21.10 1kqb s ALA 65 CO -0.08 -0.71 0.00 0.41 0.00 0.00 0.00 175.76 175.38 1kqb n GLY 66 N -2.41 2.60 0.13 0.00 0.00 -1.26 -2.16 105.19 102.09 1kqb n GLY 66 Ca 0.04 -0.31 0.12 0.00 0.00 0.00 0.00 46.02 45.87 1kqb n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1kqb n THR 67 N 0.00 0.85 1.66 2.61 -2.24 -1.26 -2.21 114.28 113.69 1kqb n THR 67 Ca 0.00 0.28 0.08 0.00 -2.27 0.00 0.00 64.05 62.14 1kqb n THR 67 Cb 0.00 -1.22 0.40 0.00 -2.10 0.00 0.00 70.33 67.41 1kqb n THR 67 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1kqb n TYR 68 N -2.23 0.11 0.24 4.78 4.01 -0.92 -4.17 117.16 118.97 1kqb n TYR 68 Ca 0.02 -0.05 0.18 0.00 -0.16 0.00 0.00 57.90 57.88 1kqb n TYR 68 Cb 0.21 0.00 0.87 0.00 -0.31 0.00 0.00 39.34 40.11 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 0.90 0.27 0.00 -0.72 3.04 -1.14 -0.89 116.25 117.71 1kqb h VAL 69 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1kqb h VAL 69 Cb 0.20 0.79 0.00 0.00 -2.01 0.00 0.00 31.29 30.27 1kqb h VAL 69 CO 0.00 0.00 0.00 2.22 -1.01 0.00 0.00 177.57 178.78 1kqb n PHE 70 N -3.46 0.03 0.72 3.17 1.16 -1.26 -1.51 117.46 116.31 1kqb n PHE 70 Ca 0.01 0.01 0.08 0.00 -1.87 0.00 0.00 57.45 55.68 1kqb n PHE 70 Cb 0.35 -0.52 -0.03 0.00 -1.61 0.00 0.00 39.48 37.67 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 -1.53 1.37 0.10 5.98 3.02 -0.34 -4.67 115.26 119.20 1kqb n ASN 71 Ca 0.02 -1.19 -0.12 0.00 -0.03 0.00 0.00 54.58 53.26 1kqb n ASN 71 Cb 0.09 0.62 -0.06 0.00 -0.61 0.00 0.00 39.78 39.82 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 1.29 -0.26 -0.38 3.52 4.81 -1.37 -2.82 114.58 119.37 1kqb h GLU 72 Ca 0.00 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1kqb h GLU 72 Cb 0.50 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 1kqb h GLU 72 CO 0.00 -0.18 0.19 0.00 -0.73 0.00 0.00 179.01 178.29 1kqb h ARG 73 N -0.27 0.52 -0.93 1.92 3.08 -1.83 -1.81 114.38 115.06 1kqb h ARG 73 Ca 0.01 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.05 1kqb h ARG 73 Cb 0.27 -0.11 -0.06 0.00 0.08 0.00 0.00 29.97 30.16 1kqb h ARG 73 CO -0.05 0.40 0.60 0.87 -1.07 0.00 0.00 179.97 180.72 1kqb h LYS 74 N 0.52 1.10 -0.04 0.04 1.57 -1.80 0.54 116.57 118.50 1kqb h LYS 74 Ca 0.13 -0.07 -0.17 0.00 -1.87 0.00 0.00 60.65 58.68 1kqb h LYS 74 Cb 0.05 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 1kqb h LYS 74 CO -0.02 0.73 -0.72 0.52 -0.57 0.00 0.00 179.45 179.38 1kqb h MET 75 N 1.13 0.25 0.17 3.15 2.86 -1.20 -2.98 114.93 118.31 1kqb h MET 75 Ca 0.38 -0.21 -0.26 0.00 -2.06 0.00 0.00 59.70 57.55 1kqb h MET 75 Cb 0.06 0.04 0.03 0.00 0.06 0.00 0.00 31.60 31.80 1kqb h MET 75 CO -0.14 0.87 -1.14 -0.07 1.06 0.00 0.00 176.91 177.48 1kqb h LEU 76 N 0.17 0.70 0.00 1.22 3.38 -0.91 -3.38 115.31 116.49 1kqb h LEU 76 Ca -0.02 -0.90 -0.14 0.00 0.09 0.00 0.00 57.88 56.90 1kqb h LEU 76 Cb 1.28 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 1kqb h LEU 76 CO 0.11 1.55 -0.74 0.44 0.09 0.00 0.00 178.44 179.89 1kqb h ASP 77 N -0.03 0.00 -4.21 -0.43 3.32 -1.01 -3.47 116.42 110.59 1kqb h ASP 77 Ca -0.19 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.33 1kqb h ASP 77 Cb 1.88 0.00 0.17 0.00 0.22 0.00 0.00 39.33 41.59 1kqb h ASP 77 CO 0.22 0.64 0.34 0.00 -1.72 0.00 0.00 179.24 178.72 1kqb s ALA 78 N -2.89 1.95 -0.02 3.45 0.00 -1.12 -3.52 121.76 119.61 1kqb s ALA 78 Ca 0.02 0.75 -0.23 0.00 0.00 0.00 0.00 51.96 52.50 1kqb s ALA 78 Cb 0.08 -3.45 -0.16 0.00 0.00 0.00 0.00 23.12 19.59 1kqb s ALA 78 CO 0.77 -2.12 1.08 1.03 0.00 0.00 0.00 175.76 176.52 1kqb h SER 79 N -0.81 -0.27 -3.77 0.00 0.87 -1.55 -3.45 113.55 104.56 1kqb h SER 79 Ca -0.46 -0.25 -0.55 0.00 -1.23 0.00 0.00 61.79 59.30 1kqb h SER 79 Cb 1.28 0.07 -0.32 0.00 -0.44 0.00 0.00 62.40 63.00 1kqb h SER 79 CO 0.47 0.17 -0.83 -1.00 -0.53 0.00 0.00 176.83 175.11 1kqb s HIS 80 N -4.13 1.66 -0.20 2.24 3.76 -0.52 -4.49 115.29 113.59 1kqb s HIS 80 Ca -0.13 -0.51 -0.01 0.00 -0.15 0.00 0.00 55.06 54.26 1kqb s HIS 80 Cb 0.01 -1.13 0.01 0.00 1.11 0.00 0.00 32.58 32.59 1kqb s HIS 80 CO 0.52 -0.20 -0.13 0.08 -0.85 0.00 0.00 174.74 174.16 1kqb s VAL 81 N 0.18 2.55 -0.25 -0.90 1.01 0.04 0.11 120.40 123.13 1kqb s VAL 81 Ca -0.07 -0.86 -0.10 0.00 0.00 0.00 0.00 61.98 60.96 1kqb s VAL 81 Cb -0.12 -2.15 -0.05 0.00 0.00 0.00 0.00 36.38 34.05 1kqb s VAL 81 CO 0.03 0.43 0.16 -0.69 0.00 0.00 0.00 175.10 175.03 1kqb s VAL 82 N 1.34 5.23 -0.34 2.92 1.01 -0.52 -0.75 120.40 129.30 1kqb s VAL 82 Ca 0.04 0.14 -0.13 0.00 0.00 0.00 0.00 61.98 62.03 1kqb s VAL 82 Cb -0.14 -3.45 -0.01 0.00 0.00 0.00 0.00 36.38 32.77 1kqb s VAL 82 CO -0.09 0.32 0.24 -0.69 0.00 0.00 0.00 175.10 174.88 1kqb s VAL 83 N 1.29 5.21 -0.27 2.92 1.01 0.77 -0.18 120.40 131.16 1kqb s VAL 83 Ca 0.07 -0.27 -0.23 0.00 0.00 0.00 0.00 61.98 61.55 1kqb s VAL 83 Cb -0.14 -3.69 -0.00 0.00 0.00 0.00 0.00 36.38 32.54 1kqb s VAL 83 CO 0.06 -0.02 0.78 -0.36 0.00 0.00 0.00 175.10 175.57 1kqb s PHE 84 N 1.71 3.26 0.12 5.22 0.40 0.96 -2.03 117.98 127.62 1kqb s PHE 84 Ca 0.06 0.96 0.11 0.00 -0.60 0.00 0.00 56.93 57.46 1kqb s PHE 84 Cb -0.17 -3.09 -0.04 0.00 0.51 0.00 0.00 43.02 40.23 1kqb s PHE 84 CO 0.10 -0.46 -0.26 0.00 0.70 0.00 0.00 175.22 175.30 1kqb s ALA 86 N -1.03 2.88 0.64 0.00 0.00 -0.38 -1.66 121.76 122.22 1kqb s ALA 86 Ca 0.14 -1.30 -0.17 0.00 0.00 0.00 0.00 51.96 50.62 1kqb s ALA 86 Cb -0.10 -0.81 -0.01 0.00 0.00 0.00 0.00 23.12 22.20 1kqb s ALA 86 CO 0.06 0.61 1.22 0.15 0.00 0.00 0.00 175.76 177.80 1kqb s LYS 87 N -2.26 2.66 0.14 0.00 1.02 -0.51 -1.47 119.74 119.32 1kqb s LYS 87 Ca 0.21 1.85 0.25 0.00 0.02 0.00 0.00 55.97 58.29 1kqb s LYS 87 Cb -0.11 -1.89 0.55 0.00 -0.52 0.00 0.00 37.83 35.87 1kqb s LYS 87 CO 0.13 -1.46 1.51 0.25 -0.92 0.00 0.00 175.35 174.86 1kqb n THR 88 N -1.98 0.42 -3.59 2.17 -2.24 -0.28 -4.79 114.28 103.99 1kqb n THR 88 Ca 0.14 -0.26 -0.14 0.00 -2.27 0.00 0.00 64.05 61.52 1kqb n THR 88 Cb 0.49 -0.29 -0.06 0.00 -2.10 0.00 0.00 70.33 68.37 1kqb n THR 88 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kqb s ALA 89 N -3.13 -1.84 -0.49 6.98 0.00 -1.26 -4.68 121.76 117.34 1kqb s ALA 89 Ca 0.08 1.70 -0.21 0.00 0.00 0.00 0.00 51.96 53.53 1kqb s ALA 89 Cb 0.13 -0.77 0.04 0.00 0.00 0.00 0.00 23.12 22.53 1kqb s ALA 89 CO 0.67 -0.32 0.71 1.41 0.00 0.00 0.00 175.76 178.22 1kqb s MET 90 N -0.41 3.24 0.25 0.00 1.75 -1.26 -5.04 119.30 117.83 1kqb s MET 90 Ca -0.03 -0.53 -0.03 0.00 -1.25 0.00 0.00 55.69 53.84 1kqb s MET 90 Cb -0.03 -4.03 -0.05 0.00 2.84 0.00 0.00 34.83 33.57 1kqb s MET 90 CO 0.03 -1.19 0.49 0.16 -0.65 0.00 0.00 175.02 173.85 1kqb s ASP 91 N 2.44 6.42 0.31 1.11 -4.77 -1.26 -5.00 116.67 115.92 1kqb s ASP 91 Ca 0.22 0.59 0.01 0.00 -3.30 0.00 0.00 52.55 50.06 1kqb s ASP 91 Cb -0.16 -2.09 0.55 0.00 -1.09 0.00 0.00 42.92 40.14 1kqb s ASP 91 CO 0.17 -0.13 1.93 0.44 0.70 0.00 0.00 175.17 178.27 1kqb h ASP 92 N 1.81 0.87 -0.71 2.11 3.32 -2.00 -2.40 116.42 119.42 1kqb h ASP 92 Ca -0.48 0.00 0.10 0.00 0.02 0.00 0.00 57.03 56.67 1kqb h ASP 92 Cb 1.19 -0.19 -0.07 0.00 0.22 0.00 0.00 39.33 40.48 1kqb h ASP 92 CO 0.67 0.57 0.34 0.00 -1.72 0.00 0.00 179.24 179.10 1kqb h ALA 93 N 1.52 0.98 -0.35 3.45 0.00 -1.99 0.29 119.26 123.17 1kqb h ALA 93 Ca 0.36 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.26 1kqb h ALA 93 Cb 0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1kqb h ALA 93 CO -0.12 -0.08 -0.06 2.35 0.00 0.00 0.00 179.25 181.34 1kqb h TRP 94 N 0.57 0.73 -0.69 0.00 2.91 -1.84 -0.93 115.95 116.70 1kqb h TRP 94 Ca 0.36 -0.15 -0.01 0.00 1.13 0.00 0.00 58.89 60.22 1kqb h TRP 94 Cb 0.40 -0.18 -0.03 0.00 -0.51 0.00 0.00 29.16 28.84 1kqb h TRP 94 CO -0.12 0.80 0.38 -0.07 -1.03 0.00 0.00 178.44 178.39 1kqb h LEU 95 N 0.45 0.85 -0.52 0.65 3.38 -1.24 -1.22 115.31 117.65 1kqb h LEU 95 Ca 0.09 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 1kqb h LEU 95 Cb 0.54 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1kqb h LEU 95 CO 0.03 0.68 -0.01 -0.08 0.09 0.00 0.00 178.44 179.16 1kqb h GLU 96 N 0.96 0.93 -0.87 1.13 4.57 -0.72 -2.68 114.58 117.90 1kqb h GLU 96 Ca 0.24 -0.30 0.03 0.00 -1.18 0.00 0.00 59.36 58.15 1kqb h GLU 96 Cb 0.03 -0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 28.48 1kqb h GLU 96 CO -0.04 0.95 0.56 0.00 -1.18 0.00 0.00 179.01 179.31 1kqb h ARG 97 N 0.80 1.08 0.02 1.92 2.47 -0.29 -1.31 114.38 119.07 1kqb h ARG 97 Ca 0.15 -0.07 -0.00 0.00 -1.26 0.00 0.00 59.98 58.80 1kqb h ARG 97 Cb 0.54 -0.24 0.00 0.00 -1.65 0.00 0.00 29.97 28.61 1kqb h ARG 97 CO 0.03 0.72 -0.01 0.28 0.56 0.00 0.00 179.97 181.55 1kqb h VAL 98 N 1.11 1.11 -0.26 2.04 2.07 -1.03 -1.27 116.25 120.02 1kqb h VAL 98 Ca 0.34 -0.39 -0.10 0.00 0.82 0.00 0.00 66.70 67.36 1kqb h VAL 98 Cb -0.04 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1kqb h VAL 98 CO -0.10 0.10 -0.26 1.62 0.02 0.00 0.00 177.57 178.95 1kqb h VAL 99 N -0.19 1.27 -0.16 2.57 3.04 -1.34 -1.21 116.25 120.23 1kqb h VAL 99 Ca -0.00 -1.29 -0.10 0.00 -1.01 0.00 0.00 66.70 64.29 1kqb h VAL 99 Cb 0.18 1.35 -0.01 0.00 -2.01 0.00 0.00 31.29 30.80 1kqb h VAL 99 CO 0.00 0.41 -0.36 0.44 -1.01 0.00 0.00 177.57 177.06 1kqb h ASP 100 N 0.45 0.34 -0.22 3.17 3.32 -1.15 -1.35 116.42 120.98 1kqb h ASP 100 Ca 0.06 -0.13 -0.19 0.00 0.02 0.00 0.00 57.03 56.80 1kqb h ASP 100 Cb 0.69 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.14 1kqb h ASP 100 CO 0.05 0.68 -0.58 -0.61 -1.72 0.00 0.00 179.24 177.06 1kqb h GLN 101 N 0.28 0.82 -0.24 3.56 5.75 -0.89 -1.33 115.11 123.06 1kqb h GLN 101 Ca 0.03 -0.54 -0.05 0.00 -0.15 0.00 0.00 58.65 57.95 1kqb h GLN 101 Cb 0.76 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.37 1kqb h GLN 101 CO 0.06 1.17 -0.07 0.93 -2.65 0.00 0.00 178.83 178.27 1kqb h GLU 102 N 0.62 0.37 -0.14 1.69 5.08 -0.91 -1.01 114.58 120.28 1kqb h GLU 102 Ca 0.01 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 1kqb h GLU 102 Cb 1.18 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.37 1kqb h GLU 102 CO 0.12 0.46 -0.05 1.49 -1.00 0.00 0.00 179.01 180.03 1kqb h GLU 103 N 0.36 0.28 -0.02 2.33 4.81 -1.00 -1.66 114.58 119.67 1kqb h GLU 103 Ca 0.08 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1kqb h GLU 103 Cb 0.35 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 1kqb h GLU 103 CO 0.02 0.60 -0.01 0.00 -0.73 0.00 0.00 179.01 178.89 1kqb h ALA 104 N 0.68 1.95 -0.01 2.92 0.00 -0.83 -0.80 119.26 123.16 1kqb h ALA 104 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1kqb h ALA 104 Cb 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1kqb h ALA 104 CO 0.02 0.04 -0.00 -0.25 0.00 0.00 0.00 179.25 179.05 1kqb n ASP 105 N -4.51 0.84 -0.14 0.00 8.00 -0.42 -4.94 116.55 115.38 1kqb n ASP 105 Ca -0.03 -1.26 0.00 0.00 0.71 0.00 0.00 54.79 54.21 1kqb n ASP 105 Cb 0.11 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 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 1.11 0.60 0.09 0.44 0.00 -0.31 -4.98 105.19 102.14 1kqb n GLY 106 Ca 0.21 -0.79 0.13 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.84 0.34 -5.17 1.61 1.74 -0.64 -4.84 116.66 108.85 1kqb n ARG 107 Ca 0.00 -0.18 -0.32 0.00 -0.77 0.00 0.00 57.85 56.58 1kqb n ARG 107 Cb 0.48 -1.50 -0.16 0.00 -1.02 0.00 0.00 32.46 30.26 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 -2.79 2.56 -0.52 -1.55 0.08 -1.26 -5.00 117.98 109.50 1kqb s PHE 108 Ca 0.17 -0.87 0.23 0.00 0.12 0.00 0.00 56.93 56.58 1kqb s PHE 108 Cb 0.18 -1.69 0.03 0.00 -0.57 0.00 0.00 43.02 40.97 1kqb s PHE 108 CO 0.61 -0.31 1.00 0.09 -0.10 0.00 0.00 175.22 176.51 1kqb n ASN 109 N 3.31 0.60 -3.99 1.36 3.02 -1.26 -4.96 115.26 113.34 1kqb n ASN 109 Ca -0.18 -0.11 -0.08 0.00 -0.03 0.00 0.00 54.58 54.18 1kqb n ASN 109 Cb 0.53 0.80 -0.09 0.00 -0.61 0.00 0.00 39.78 40.41 1kqb n ASN 109 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1kqb s THR 110 N -3.24 0.17 0.35 3.41 -4.23 -1.26 -5.04 115.64 105.80 1kqb s THR 110 Ca 0.02 -1.52 0.08 0.00 -1.18 0.00 0.00 61.69 59.10 1kqb s THR 110 Cb 0.14 -1.51 0.12 0.00 1.34 0.00 0.00 72.50 72.59 1kqb s THR 110 CO 0.80 -0.75 1.84 -0.65 -0.54 0.00 0.00 174.62 175.32 1kqb h PRO 111 N 2.91 0.26 -0.78 3.99 0.11 -2.00 -2.51 132.00 133.97 1kqb h PRO 111 Ca -0.34 -0.08 -0.04 0.00 0.11 0.00 0.00 66.00 65.66 1kqb h PRO 111 Cb 1.18 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 1kqb h PRO 111 CO 0.60 0.46 0.34 0.93 -0.21 0.00 0.00 178.00 180.13 1kqb h GLU 112 N 0.24 1.15 -0.68 1.05 3.07 -1.99 -0.88 114.58 116.54 1kqb h GLU 112 Ca 0.04 -0.19 -0.05 0.00 -0.50 0.00 0.00 59.36 58.66 1kqb h GLU 112 Cb 0.51 -0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 28.20 1kqb h GLU 112 CO 0.03 0.91 0.21 0.00 -1.40 0.00 0.00 179.01 178.76 1kqb h ALA 113 N 1.24 1.09 -0.33 3.43 0.00 -1.86 0.74 119.26 123.57 1kqb h ALA 113 Ca 0.27 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1kqb h ALA 113 Cb 0.17 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1kqb h ALA 113 CO -0.03 0.62 -0.15 -0.22 0.00 0.00 0.00 179.25 179.47 1kqb h LYS 114 N 1.00 0.68 -0.73 0.00 3.64 -1.25 -1.43 116.57 118.48 1kqb h LYS 114 Ca 0.22 -0.30 -0.03 0.00 -1.27 0.00 0.00 60.65 59.27 1kqb h LYS 114 Cb 0.29 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 1kqb h LYS 114 CO -0.01 0.89 0.33 0.00 -2.27 0.00 0.00 179.45 178.39 1kqb h ALA 115 N 0.77 0.95 -0.54 5.00 0.00 -0.86 -0.53 119.26 124.06 1kqb h ALA 115 Ca 0.07 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1kqb h ALA 115 Cb 0.68 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1kqb h ALA 115 CO 0.05 0.54 -0.03 0.00 0.00 0.00 0.00 179.25 179.81 1kqb h ALA 116 N 1.16 0.93 -0.47 0.00 0.00 -0.78 0.12 119.26 120.23 1kqb h ALA 116 Ca 0.25 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1kqb h ALA 116 Cb 0.16 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1kqb h ALA 116 CO -0.03 0.63 0.01 -0.97 0.00 0.00 0.00 179.25 178.90 1kqb h ASN 117 N 0.86 0.81 -0.35 0.00 -0.73 -0.83 -1.33 115.58 114.00 1kqb h ASN 117 Ca 0.15 -0.30 -0.06 0.00 1.87 0.00 0.00 56.30 57.97 1kqb h ASN 117 Cb 0.54 -0.22 -0.01 0.00 0.27 0.00 0.00 38.32 38.90 1kqb h ASN 117 CO 0.03 0.91 0.00 -0.74 -0.37 0.00 0.00 177.43 177.26 1kqb h HIS 118 N 0.68 0.68 -0.67 0.67 2.76 -0.89 -1.99 115.15 116.40 1kqb h HIS 118 Ca 0.13 -0.12 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 1kqb h HIS 118 Cb 0.49 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 29.24 1kqb h HIS 118 CO 0.04 0.73 0.39 -0.22 -1.30 0.00 0.00 177.93 177.56 1kqb h LYS 119 N 0.44 0.92 -0.45 5.26 3.64 -0.87 -0.91 116.57 124.59 1kqb h LYS 119 Ca 0.10 -0.09 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 1kqb h LYS 119 Cb 0.46 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1kqb h LYS 119 CO 0.02 0.67 0.09 0.78 -2.27 0.00 0.00 179.45 178.74 1kqb h GLY 120 N 0.91 0.78 1.01 5.01 0.00 -1.15 -1.32 103.07 108.31 1kqb h GLY 120 Ca 0.24 -0.51 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 1kqb h GLY 120 CO -0.04 0.47 0.24 -0.09 0.00 0.00 0.00 176.54 177.12 1kqb h ARG 121 N 0.59 0.96 -0.82 4.80 2.43 -1.14 -2.15 114.38 119.05 1kqb h ARG 121 Ca 0.14 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 1kqb h ARG 121 Cb 0.36 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.72 1kqb h ARG 121 CO 0.01 0.82 0.43 1.15 -1.51 0.00 0.00 179.97 180.86 1kqb h THR 122 N 0.89 1.25 -0.22 0.20 2.02 -0.99 0.16 112.91 116.22 1kqb h THR 122 Ca 0.21 -0.64 -0.00 0.00 0.77 0.00 0.00 66.41 66.75 1kqb h THR 122 Cb 0.23 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 1kqb h THR 122 CO -0.01 0.28 0.13 0.22 0.37 0.00 0.00 175.52 176.50 1kqb h TYR 123 N 1.14 0.30 -0.06 3.16 5.03 -0.87 0.94 116.97 126.61 1kqb h TYR 123 Ca 0.28 -0.00 -0.17 0.00 2.58 0.00 0.00 58.73 61.42 1kqb h TYR 123 Cb 0.06 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.23 1kqb h TYR 123 CO 0.01 0.25 -0.72 0.74 -1.32 0.00 0.00 178.16 177.11 1kqb h PHE 124 N 0.26 0.41 -0.34 -3.82 0.04 -1.19 -2.11 116.94 110.19 1kqb h PHE 124 Ca 0.08 -0.18 -0.03 0.00 2.80 0.00 0.00 57.97 60.64 1kqb h PHE 124 Cb 0.04 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.12 1kqb h PHE 124 CO -0.04 0.92 0.10 0.00 -0.60 0.00 0.00 178.31 178.69 1kqb h ALA 125 N 1.03 0.44 -0.79 2.45 0.00 -0.53 -2.65 119.26 119.21 1kqb h ALA 125 Ca -0.03 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1kqb h ALA 125 Cb 1.29 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 1kqb h ALA 125 CO 0.12 0.09 0.52 -0.44 0.00 0.00 0.00 179.25 179.54 1kqb h ASP 126 N 0.39 0.91 -0.57 0.00 3.32 -0.72 -0.34 116.42 119.41 1kqb h ASP 126 Ca 0.11 -0.03 0.17 0.00 0.02 0.00 0.00 57.03 57.30 1kqb h ASP 126 Cb 0.26 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1kqb h ASP 126 CO -0.00 0.66 0.61 -0.03 -1.72 0.00 0.00 179.24 178.76 1kqb h MET 127 N 1.07 0.00 0.00 3.56 4.05 -1.00 -0.33 114.93 122.28 1kqb h MET 127 Ca 0.29 0.00 -0.19 0.00 -0.28 0.00 0.00 59.70 59.52 1kqb h MET 127 Cb -0.12 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 30.64 1kqb h MET 127 CO -0.06 0.00 -1.85 0.72 0.23 0.00 0.00 176.91 175.95 1kqb n HIS 128 N -3.65 0.00 -0.06 1.39 8.25 -0.43 -2.78 115.22 117.93 1kqb n HIS 128 Ca 0.11 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.55 1kqb n HIS 128 Cb 0.82 -0.58 -0.02 0.00 1.12 0.00 0.00 29.99 31.33 1kqb n HIS 128 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1kqb h ARG 129 N 0.00 0.00 0.00 -0.41 3.08 0.07 0.58 114.38 117.69 1kqb h ARG 129 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1kqb h ARG 129 Cb 1.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.63 1kqb h ARG 129 CO 0.02 0.13 0.00 0.28 -1.07 0.00 0.00 179.97 179.32 1kqb n VAL 130 N -4.73 0.00 0.00 2.04 0.31 -0.25 -3.86 118.33 111.85 1kqb n VAL 130 Ca -0.03 0.65 0.00 0.00 -0.01 0.00 0.00 64.34 64.95 1kqb n VAL 130 Cb 0.11 -1.62 0.00 0.00 -0.91 0.00 0.00 33.84 31.42 1kqb n VAL 130 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1kqb n ASP 131 N -1.94 0.00 -0.35 4.52 8.00 -1.14 -3.99 116.55 121.64 1kqb n ASP 131 Ca 0.00 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.57 1kqb n ASP 131 Cb 0.00 0.00 0.24 0.00 -0.02 0.00 0.00 41.12 41.34 1kqb n ASP 131 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1kqb h LEU 132 N 0.00 0.87 -0.55 0.64 6.46 -1.72 -3.46 115.31 117.54 1kqb h LEU 132 Ca 0.00 0.05 -0.22 0.00 -0.12 0.00 0.00 57.88 57.60 1kqb h LEU 132 Cb 0.00 -0.12 0.06 0.00 -0.73 0.00 0.00 40.66 39.88 1kqb h LEU 132 CO 0.00 0.45 -0.35 0.29 -0.62 0.00 0.00 178.44 178.20 1kqb n LYS 133 N -4.66 -3.80 -0.88 1.25 5.02 0.40 -4.93 118.16 110.56 1kqb n LYS 133 Ca 0.19 0.46 0.05 0.00 -2.02 0.00 0.00 58.31 56.98 1kqb n LYS 133 Cb 0.37 -4.37 0.16 0.00 -0.02 0.00 0.00 35.03 31.16 1kqb n LYS 133 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1kqb n ASP 134 N -0.81 1.62 0.24 4.39 5.75 0.17 -4.76 116.55 123.15 1kqb n ASP 134 Ca -0.02 -3.42 0.07 0.00 -0.01 0.00 0.00 54.79 51.42 1kqb n ASP 134 Cb 0.54 -0.47 0.58 0.00 -1.03 0.00 0.00 41.12 40.75 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 1.05 0.00 -0.68 -1.12 2.03 -1.68 0.16 116.42 116.18 1kqb h ASP 135 Ca -0.05 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.25 1kqb h ASP 135 Cb 1.24 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.71 1kqb h ASP 135 CO 0.05 0.14 0.42 -2.24 -1.03 0.00 0.00 179.24 176.58 1kqb h ASP 136 N 0.00 0.80 -0.17 4.15 -0.00 -1.86 0.17 116.42 119.52 1kqb h ASP 136 Ca -0.00 -0.05 -0.18 0.00 -0.00 0.00 0.00 57.03 56.80 1kqb h ASP 136 Cb 0.26 -0.20 0.01 0.00 -0.00 0.00 0.00 39.33 39.40 1kqb h ASP 136 CO 0.02 0.62 -0.61 1.56 -0.00 0.00 0.00 179.24 180.82 1kqb h GLN 137 N 0.92 0.71 -0.73 4.15 1.08 -1.51 -1.33 115.11 118.40 1kqb h GLN 137 Ca 0.25 -0.54 -0.02 0.00 -1.45 0.00 0.00 58.65 56.89 1kqb h GLN 137 Cb -0.05 0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.44 1kqb h GLN 137 CO -0.05 1.16 0.40 2.35 -0.95 0.00 0.00 178.83 181.74 1kqb h TRP 138 N 0.42 1.01 -0.34 2.96 7.01 -0.50 -0.87 115.95 125.64 1kqb h TRP 138 Ca -0.03 -0.03 -0.16 0.00 2.11 0.00 0.00 58.89 60.79 1kqb h TRP 138 Cb 1.24 -0.32 -0.00 0.00 -2.10 0.00 0.00 29.16 27.97 1kqb h TRP 138 CO 0.09 0.72 -0.41 0.52 -2.79 0.00 0.00 178.44 176.57 1kqb h MET 139 N 1.01 0.89 -0.86 2.65 2.86 -0.67 -2.80 114.93 118.02 1kqb h MET 139 Ca 0.26 -0.49 0.04 0.00 -2.06 0.00 0.00 59.70 57.45 1kqb h MET 139 Cb 0.04 0.03 -0.05 0.00 0.06 0.00 0.00 31.60 31.68 1kqb h MET 139 CO -0.04 1.14 0.56 0.00 1.06 0.00 0.00 176.91 179.63 1kqb h ALA 140 N 0.73 1.49 -0.72 6.32 0.00 -0.93 -1.25 119.26 124.90 1kqb h ALA 140 Ca 0.05 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1kqb h ALA 140 Cb 1.01 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1kqb h ALA 140 CO 0.10 0.42 0.26 0.87 0.00 0.00 0.00 179.25 180.89 1kqb h LYS 141 N 1.05 1.08 -0.28 0.00 1.57 -0.97 -1.41 116.57 117.61 1kqb h LYS 141 Ca 0.35 -0.20 -0.08 0.00 -1.87 0.00 0.00 60.65 58.85 1kqb h LYS 141 Cb 0.07 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1kqb h LYS 141 CO -0.11 0.90 -0.16 1.96 -0.57 0.00 0.00 179.45 181.47 1kqb h GLN 142 N 1.05 0.49 -0.49 3.15 1.08 -1.00 -1.77 115.11 117.62 1kqb h GLN 142 Ca 0.24 -0.15 -0.12 0.00 -1.45 0.00 0.00 58.65 57.16 1kqb h GLN 142 Cb 0.24 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.61 1kqb h GLN 142 CO -0.01 0.63 -0.18 0.28 -0.95 0.00 0.00 178.83 178.60 1kqb h VAL 143 N 0.45 1.27 -0.31 -0.54 2.07 -0.71 -1.73 116.25 116.74 1kqb h VAL 143 Ca 0.08 -1.33 -0.08 0.00 0.82 0.00 0.00 66.70 66.18 1kqb h VAL 143 Cb 0.54 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 1kqb h VAL 143 CO 0.03 0.46 -0.15 1.88 0.02 0.00 0.00 177.57 179.82 1kqb h TYR 144 N 0.85 0.58 -0.69 1.57 -1.99 -0.90 -0.42 116.97 115.98 1kqb h TYR 144 Ca 0.12 -0.10 -0.02 0.00 2.00 0.00 0.00 58.73 60.73 1kqb h TYR 144 Cb 0.74 -0.15 -0.03 0.00 2.00 0.00 0.00 36.73 39.29 1kqb h TYR 144 CO 0.05 0.66 0.34 1.25 -0.00 0.00 0.00 178.16 180.46 1kqb h LEU 145 N 0.49 0.89 -0.58 3.88 6.46 -1.02 -0.27 115.31 125.16 1kqb h LEU 145 Ca 0.09 -0.12 0.02 0.00 -0.12 0.00 0.00 57.88 57.74 1kqb h LEU 145 Cb 0.54 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 40.21 1kqb h LEU 145 CO 0.03 0.76 0.36 -1.13 -0.62 0.00 0.00 178.44 177.85 1kqb h ASN 146 N 0.95 0.61 -0.49 1.25 -0.73 -0.51 -1.06 115.58 115.61 1kqb h ASN 146 Ca 0.24 -0.00 0.04 0.00 1.87 0.00 0.00 56.30 58.45 1kqb h ASN 146 Cb 0.10 -0.14 -0.04 0.00 0.27 0.00 0.00 38.32 38.51 1kqb h ASN 146 CO -0.03 0.43 0.25 0.58 -0.37 0.00 0.00 177.43 178.29 1kqb h VAL 147 N 0.73 0.97 -0.66 2.57 2.07 -0.13 0.24 116.25 122.03 1kqb h VAL 147 Ca 0.23 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.60 1kqb h VAL 147 Cb -0.02 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.14 1kqb h VAL 147 CO -0.08 0.09 0.42 1.23 0.02 0.00 0.00 177.57 179.25 1kqb h GLY 148 N 0.49 0.94 0.94 2.17 0.00 -0.36 0.32 103.07 107.57 1kqb h GLY 148 Ca 0.21 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 1kqb h GLY 148 CO -0.15 0.29 0.12 -0.57 0.00 0.00 0.00 176.54 176.24 1kqb h ASN 149 N 0.84 0.29 -0.16 0.19 -1.24 -0.60 -3.03 115.58 111.86 1kqb h ASN 149 Ca 0.25 -0.09 0.02 0.00 0.71 0.00 0.00 56.30 57.19 1kqb h ASN 149 Cb -0.03 -0.07 -0.02 0.00 0.73 0.00 0.00 38.32 38.93 1kqb h ASN 149 CO -0.08 0.30 0.02 0.15 -1.29 0.00 0.00 177.43 176.53 1kqb h PHE 150 N 0.25 0.04 -0.79 0.67 3.57 0.13 -1.03 116.94 119.78 1kqb h PHE 150 Ca 0.08 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.61 1kqb h PHE 150 Cb 0.08 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.78 1kqb h PHE 150 CO -0.03 0.01 0.51 -0.07 -2.23 0.00 0.00 178.31 176.50 1kqb h LEU 151 N 0.09 0.86 -0.29 0.59 3.38 -0.94 0.76 115.31 119.77 1kqb h LEU 151 Ca 0.07 -0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.84 1kqb h LEU 151 Cb 0.07 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1kqb h LEU 151 CO -0.10 0.61 -0.60 0.25 0.09 0.00 0.00 178.44 178.69 1kqb h LEU 152 N 1.02 0.95 -0.20 1.67 5.85 -1.43 -2.49 115.31 120.68 1kqb h LEU 152 Ca 0.31 -0.53 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 1kqb h LEU 152 Cb -0.04 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.70 1kqb h LEU 152 CO -0.09 1.33 0.13 1.23 -0.34 0.00 0.00 178.44 180.69 1kqb h GLY 153 N 0.69 0.29 1.75 3.75 0.00 -0.64 0.05 103.07 108.96 1kqb h GLY 153 Ca 0.00 -0.12 -0.07 0.00 0.00 0.00 0.00 47.33 47.14 1kqb h GLY 153 CO 0.13 0.11 -0.21 -0.39 0.00 0.00 0.00 176.54 176.18 1kqb h VAL 154 N 0.25 1.23 -0.60 4.60 -1.51 -0.90 -2.10 116.25 117.22 1kqb h VAL 154 Ca 0.07 -1.05 -0.07 0.00 -1.23 0.00 0.00 66.70 64.42 1kqb h VAL 154 Cb 0.00 1.34 -0.02 0.00 -2.13 0.00 0.00 31.29 30.47 1kqb h VAL 154 CO -0.01 0.33 0.08 1.23 -1.23 0.00 0.00 177.57 177.96 1kqb h GLY 155 N 0.92 1.06 2.00 5.19 0.00 -0.95 -1.24 103.07 110.06 1kqb h GLY 155 Ca 0.05 -0.69 0.00 0.00 0.00 0.00 0.00 47.33 46.69 1kqb h GLY 155 CO 0.04 0.64 0.00 0.00 0.00 0.00 0.00 176.54 177.22 1kqb n ALA 156 N -2.47 1.67 1.17 3.60 0.00 -0.04 -1.40 120.51 123.04 1kqb n ALA 156 Ca 0.04 0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.62 1kqb n ALA 156 Cb 0.29 -1.31 0.23 0.00 0.00 0.00 0.00 19.45 18.66 1kqb n ALA 156 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1kqb n MET 157 N -1.86 1.36 -0.88 0.00 2.81 -0.57 -4.93 117.12 113.06 1kqb n MET 157 Ca 0.03 -0.99 0.00 0.00 -1.81 0.00 0.00 57.70 54.93 1kqb n MET 157 Cb 0.20 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.23 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 1.34 0.53 3.95 3.03 0.00 -0.49 -5.04 105.19 108.50 1kqb n GLY 158 Ca 0.13 -0.30 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 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 4.30 0.10 0.99 1.43 -0.57 -5.02 118.68 119.89 1kqb s LEU 159 Ca 0.00 0.20 0.02 0.00 -1.03 0.00 0.00 54.13 53.32 1kqb s LEU 159 Cb 0.00 -2.97 -0.04 0.00 0.03 0.00 0.00 46.19 43.22 1kqb s LEU 159 CO 0.00 -0.02 0.20 -1.81 0.23 0.00 0.00 176.35 174.95 1kqb s ASP 160 N -3.47 6.14 0.28 2.29 1.01 0.85 -3.98 116.67 119.79 1kqb s ASP 160 Ca 0.35 0.16 -0.18 0.00 0.71 0.00 0.00 52.55 53.59 1kqb s ASP 160 Cb -0.10 -1.82 0.02 0.00 1.01 0.00 0.00 42.92 42.02 1kqb s ASP 160 CO 0.29 0.13 0.67 0.00 0.21 0.00 0.00 175.17 176.47 1kqb s ALA 161 N -1.57 -0.91 -0.22 5.23 0.00 -1.26 -0.63 121.76 122.40 1kqb s ALA 161 Ca 0.34 -0.51 -0.09 0.00 0.00 0.00 0.00 51.96 51.70 1kqb s ALA 161 Cb -0.12 0.89 0.09 0.00 0.00 0.00 0.00 23.12 23.98 1kqb s ALA 161 CO 0.27 -0.99 0.48 0.54 0.00 0.00 0.00 175.76 176.06 1kqb s VAL 162 N -3.77 -0.47 0.24 0.00 0.11 -1.08 -1.79 120.40 113.64 1kqb s VAL 162 Ca 0.14 0.10 -0.30 0.00 -2.93 0.00 0.00 61.98 59.00 1kqb s VAL 162 Cb -0.05 -0.74 -0.09 0.00 -1.53 0.00 0.00 36.38 33.98 1kqb s VAL 162 CO 0.08 0.04 0.95 -2.16 -3.33 0.00 0.00 175.10 170.69 1kqb s PRO 163 N 2.23 4.83 -0.08 1.54 0.04 -1.26 -3.27 135.00 139.03 1kqb s PRO 163 Ca -0.05 1.51 -0.00 0.00 0.04 0.00 0.00 61.00 62.50 1kqb s PRO 163 Cb -0.10 -3.28 0.02 0.00 0.04 0.00 0.00 34.50 31.18 1kqb s PRO 163 CO -0.14 0.48 -0.05 0.42 0.04 0.00 0.00 177.00 177.75 1kqb s ILE 164 N -1.12 0.70 -0.25 0.56 1.01 0.84 -4.94 121.20 118.00 1kqb s ILE 164 Ca 0.42 -0.12 0.12 0.00 0.00 0.00 0.00 60.65 61.07 1kqb s ILE 164 Cb -0.26 -0.76 -0.17 0.00 0.01 0.00 0.00 42.46 41.28 1kqb s ILE 164 CO 0.33 0.30 0.37 -0.62 0.00 0.00 0.00 174.94 175.32 1kqb n GLU 165 N 4.75 1.52 -1.50 2.79 1.02 -1.26 -1.65 120.64 126.31 1kqb n GLU 165 Ca -0.14 -0.06 -0.40 0.00 -0.02 0.00 0.00 57.16 56.53 1kqb n GLU 165 Cb 0.50 -1.20 -0.02 0.00 -0.02 0.00 0.00 31.44 30.71 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 1.58 4.05 3.28 0.62 0.00 -1.26 -4.82 105.19 108.64 1kqb n GLY 166 Ca -0.00 -1.48 -0.10 0.00 0.00 0.00 0.00 46.02 44.43 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 3.24 -0.12 -0.59 1.61 -0.71 -1.26 -4.80 117.98 115.35 1kqb s PHE 167 Ca 0.53 -0.18 -0.21 0.00 -1.04 0.00 0.00 56.93 56.03 1kqb s PHE 167 Cb 0.15 0.16 0.07 0.00 -1.21 0.00 0.00 43.02 42.20 1kqb s PHE 167 CO -0.05 -0.63 0.81 0.34 -1.34 0.00 0.00 175.22 174.35 1kqb s ASP 168 N -2.67 6.21 0.46 1.98 -1.08 0.27 -4.90 116.67 116.94 1kqb s ASP 168 Ca 0.02 -1.02 0.17 0.00 -0.52 0.00 0.00 52.55 51.20 1kqb s ASP 168 Cb 0.02 -2.36 1.08 0.00 -1.46 0.00 0.00 42.92 40.20 1kqb s ASP 168 CO -0.10 -1.20 2.00 0.00 0.52 0.00 0.00 175.17 176.39 1kqb h ALA 169 N 9.30 1.60 -0.33 3.66 0.00 -1.88 -1.71 119.26 129.89 1kqb h ALA 169 Ca -0.28 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1kqb h ALA 169 Cb 1.08 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1kqb h ALA 169 CO 1.10 0.23 0.17 0.00 0.00 0.00 0.00 179.25 180.74 1kqb h ALA 170 N 1.82 0.42 -0.29 0.00 0.00 -1.94 0.18 119.26 119.46 1kqb h ALA 170 Ca -0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1kqb h ALA 170 Cb 0.34 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1kqb h ALA 170 CO 0.02 -0.04 0.04 0.82 0.00 0.00 0.00 179.25 180.10 1kqb h ILE 171 N 0.40 1.23 -0.55 0.00 2.04 -1.83 -2.21 117.51 116.60 1kqb h ILE 171 Ca 0.11 -0.81 -0.03 0.00 1.00 0.00 0.00 64.86 65.13 1kqb h ILE 171 Cb 0.09 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1kqb h ILE 171 CO -0.02 0.26 0.22 0.25 0.00 0.00 0.00 178.15 178.87 1kqb h LEU 172 N 0.29 0.75 -0.42 1.44 5.85 -1.12 -0.42 115.31 121.68 1kqb h LEU 172 Ca 0.09 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1kqb h LEU 172 Cb 0.35 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1kqb h LEU 172 CO 0.01 0.71 0.28 0.44 -0.34 0.00 0.00 178.44 179.54 1kqb h ASP 173 N 0.74 0.49 -0.48 1.25 5.19 -0.59 -2.41 116.42 120.62 1kqb h ASP 173 Ca 0.18 -0.01 -0.05 0.00 -0.62 0.00 0.00 57.03 56.53 1kqb h ASP 173 Cb 0.19 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.56 1kqb h ASP 173 CO -0.02 0.35 0.11 -0.33 -3.12 0.00 0.00 179.24 176.24 1kqb h GLU 174 N 0.57 0.77 -0.16 3.56 5.08 -1.19 0.72 114.58 123.93 1kqb h GLU 174 Ca 0.15 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1kqb h GLU 174 Cb -0.06 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1kqb h GLU 174 CO -0.03 0.76 0.11 1.49 -1.00 0.00 0.00 179.01 180.33 1kqb h GLU 175 N 0.65 0.17 -0.22 2.33 4.57 -0.83 -2.68 114.58 118.57 1kqb h GLU 175 Ca 0.15 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 1kqb h GLU 175 Cb 0.34 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 1kqb h GLU 175 CO 0.00 0.12 0.00 1.19 -1.18 0.00 0.00 179.01 179.14 1kqb n PHE 176 N -4.51 0.39 -4.08 0.92 3.72 -0.93 -5.00 117.46 107.97 1kqb n PHE 176 Ca -0.00 -0.59 -0.33 0.00 -0.05 0.00 0.00 57.45 56.48 1kqb n PHE 176 Cb 0.11 -0.08 -0.01 0.00 -0.94 0.00 0.00 39.48 38.56 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 -0.02 -0.43 0.24 1.37 0.00 0.12 -4.88 105.19 101.60 1kqb n GLY 177 Ca 0.10 0.15 -0.08 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.74 0.71 -0.02 0.99 3.38 -1.47 -3.13 115.31 114.04 1kqb h LEU 178 Ca -0.59 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.11 1kqb h LEU 178 Cb 1.38 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.88 1kqb h LEU 178 CO 0.72 1.00 -0.37 0.50 0.09 0.00 0.00 178.44 180.39 1kqb h LYS 179 N 0.57 -0.49 -0.02 1.13 3.11 -1.73 0.78 116.57 119.91 1kqb h LYS 179 Ca 0.06 0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.92 1kqb h LYS 179 Cb 0.87 0.11 -0.00 0.00 -1.00 0.00 0.00 32.23 32.21 1kqb h LYS 179 CO 0.08 -0.33 -0.05 0.93 -2.81 0.00 0.00 179.45 177.27 1kqb h GLU 180 N -0.51 0.03 -0.00 1.90 3.07 -1.88 -1.00 114.58 116.18 1kqb h GLU 180 Ca 0.06 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 1kqb h GLU 180 Cb 0.60 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.51 1kqb h GLU 180 CO -0.30 0.08 -0.03 1.63 -1.40 0.00 0.00 179.01 178.99 1kqb n LYS 181 N -4.46 0.16 -0.84 2.33 5.02 -0.44 -4.92 118.16 115.02 1kqb n LYS 181 Ca -0.03 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1kqb n LYS 181 Cb 0.14 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 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 1.42 0.82 3.22 0.72 0.00 -0.21 -5.04 105.19 106.12 1kqb n GLY 182 Ca 0.10 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.00 1.12 -0.05 1.61 0.08 0.10 -1.13 117.98 117.71 1kqb s PHE 183 Ca 0.00 -0.95 -0.04 0.00 0.12 0.00 0.00 56.93 56.06 1kqb s PHE 183 Cb 0.00 -0.63 0.02 0.00 -0.57 0.00 0.00 43.02 41.84 1kqb s PHE 183 CO 0.00 -0.15 0.14 -0.08 -0.10 0.00 0.00 175.22 175.03 1kqb s THR 184 N -3.60 -0.01 0.26 0.64 -1.32 -0.54 -3.06 115.64 108.01 1kqb s THR 184 Ca 0.19 0.02 -0.30 0.00 -1.21 0.00 0.00 61.69 60.39 1kqb s THR 184 Cb 0.05 -0.20 -0.09 0.00 -1.51 0.00 0.00 72.50 70.75 1kqb s THR 184 CO 0.01 0.01 1.06 -0.94 -2.21 0.00 0.00 174.62 172.54 1kqb s SER 185 N 0.20 7.37 0.00 8.08 1.04 -1.26 -1.25 113.70 127.87 1kqb s SER 185 Ca -0.01 2.17 0.00 0.00 0.48 0.00 0.00 55.95 58.59 1kqb s SER 185 Cb -0.02 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.48 1kqb s SER 185 CO -0.01 -0.07 0.00 0.18 0.98 0.00 0.00 173.24 174.32 1kqb n LEU 186 N 1.38 1.04 -3.85 2.42 4.77 0.21 -4.85 117.00 118.12 1kqb n LEU 186 Ca -0.01 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.84 1kqb n LEU 186 Cb 0.45 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.40 1kqb n LEU 186 CO 0.53 0.15 -0.34 -0.69 -1.33 0.00 0.00 177.39 175.71 1kqb s VAL 187 N -1.97 -0.01 -0.14 4.08 1.01 -1.14 -4.78 120.40 117.45 1kqb s VAL 187 Ca 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 61.98 61.99 1kqb s VAL 187 Cb 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 36.38 36.31 1kqb s VAL 187 CO 0.00 0.02 -0.04 -0.69 0.00 0.00 0.00 175.10 174.38 1kqb s VAL 188 N 0.20 3.85 -0.35 2.92 1.01 -0.66 -0.03 120.40 127.34 1kqb s VAL 188 Ca -0.02 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.59 1kqb s VAL 188 Cb -0.02 -2.66 0.11 0.00 0.00 0.00 0.00 36.38 33.80 1kqb s VAL 188 CO -0.01 0.52 0.13 -0.69 0.00 0.00 0.00 175.10 175.05 1kqb s VAL 189 N 0.13 1.24 0.27 2.92 1.01 0.75 -0.11 120.40 126.61 1kqb s VAL 189 Ca -0.02 -1.88 -0.29 0.00 0.00 0.00 0.00 61.98 59.79 1kqb s VAL 189 Cb -0.14 -1.91 -0.09 0.00 0.00 0.00 0.00 36.38 34.24 1kqb s VAL 189 CO 0.03 -0.73 1.22 -2.84 0.00 0.00 0.00 175.10 172.78 1kqb s PRO 190 N 1.14 4.48 -0.01 2.72 0.02 -1.20 -1.43 135.00 140.72 1kqb s PRO 190 Ca 0.12 2.00 0.04 0.00 0.02 0.00 0.00 61.00 63.18 1kqb s PRO 190 Cb -0.20 -3.16 -0.01 0.00 0.02 0.00 0.00 34.50 31.16 1kqb s PRO 190 CO -0.15 -0.05 -0.13 0.08 -0.33 0.00 0.00 177.00 176.42 1kqb s VAL 191 N -0.77 1.01 0.00 3.83 1.01 0.29 -2.62 120.40 123.15 1kqb s VAL 191 Ca 0.49 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.90 1kqb s VAL 191 Cb -0.35 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.18 1kqb s VAL 191 CO 0.44 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.41 1kqb n GLY 192 N 2.71 -0.53 2.89 4.51 0.00 0.20 -1.44 105.19 113.53 1kqb n GLY 192 Ca -0.14 0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 0.76 0.79 1.61 3.76 -1.26 -0.11 115.29 120.85 1kqb s HIS 193 Ca 0.00 -0.21 -0.11 0.00 -0.15 0.00 0.00 55.06 54.58 1kqb s HIS 193 Cb 0.00 -0.68 0.07 0.00 1.11 0.00 0.00 32.58 33.09 1kqb s HIS 193 CO 0.00 -0.19 1.11 -3.38 -0.85 0.00 0.00 174.74 171.43 1kqb s HIS 194 N 0.92 2.31 0.56 1.40 -0.00 -1.26 -0.26 115.29 118.96 1kqb s HIS 194 Ca -0.11 1.62 0.05 0.00 -0.00 0.00 0.00 55.06 56.62 1kqb s HIS 194 Cb -0.14 -3.16 0.05 0.00 -0.00 0.00 0.00 32.58 29.32 1kqb s HIS 194 CO 0.00 -2.08 0.40 -1.54 -0.00 0.00 0.00 174.74 171.52 1kqb s SER 195 N -3.05 4.60 0.29 7.38 1.04 -0.36 -4.23 113.70 119.37 1kqb s SER 195 Ca 0.64 -1.30 0.23 0.00 0.48 0.00 0.00 55.95 55.99 1kqb s SER 195 Cb -0.20 0.53 1.06 0.00 0.10 0.00 0.00 66.02 67.52 1kqb s SER 195 CO 0.54 -1.15 1.69 1.33 0.98 0.00 0.00 173.24 176.63 1kqb n VAL 196 N -1.79 0.91 1.61 5.02 0.24 -1.26 -1.57 118.33 121.49 1kqb n VAL 196 Ca -0.03 0.42 0.14 0.00 -2.04 0.00 0.00 64.34 62.84 1kqb n VAL 196 Cb 0.64 -1.38 0.64 0.00 -1.47 0.00 0.00 33.84 32.27 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 -2.26 1.35 -2.60 7.34 -0.58 -1.26 -4.66 120.64 117.97 1kqb n GLU 197 Ca 0.01 -0.61 -0.42 0.00 -0.42 0.00 0.00 57.16 55.71 1kqb n GLU 197 Cb 0.16 -1.49 -0.02 0.00 -0.57 0.00 0.00 31.44 29.52 1kqb n GLU 197 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1kqb s ASP 198 N -2.08 6.64 0.18 1.62 2.15 -0.61 -4.60 116.67 119.98 1kqb s ASP 198 Ca 0.39 -1.87 0.15 0.00 0.43 0.00 0.00 52.55 51.64 1kqb s ASP 198 Cb 0.21 -2.56 0.73 0.00 -0.30 0.00 0.00 42.92 41.00 1kqb s ASP 198 CO 0.37 -1.35 1.45 2.22 -0.17 0.00 0.00 175.17 177.69 1kqb n PHE 199 N 8.51 0.44 1.14 -5.34 -1.74 -1.26 -1.82 117.46 117.40 1kqb n PHE 199 Ca 0.38 0.21 0.12 0.00 -0.56 0.00 0.00 57.45 57.61 1kqb n PHE 199 Cb 0.49 -0.84 0.29 0.00 1.52 0.00 0.00 39.48 40.94 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 -1.94 0.93 0.22 5.98 5.15 -1.26 -4.02 115.26 120.32 1kqb n ASN 200 Ca 0.00 -0.74 0.09 0.00 -0.60 0.00 0.00 54.58 53.33 1kqb n ASN 200 Cb 0.07 0.23 0.41 0.00 -0.53 0.00 0.00 39.78 39.96 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 3.46 0.98 0.00 5.20 0.00 -1.68 -3.26 119.26 123.96 1kqb h ALA 201 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1kqb h ALA 201 Cb 0.52 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1kqb h ALA 201 CO 0.00 0.30 -1.19 0.25 0.00 0.00 0.00 179.25 178.61 1kqb n THR 202 N -3.35 0.00 -2.41 0.00 -2.24 -1.26 -4.99 114.28 100.03 1kqb n THR 202 Ca 0.01 -0.24 -0.39 0.00 -2.27 0.00 0.00 64.05 61.15 1kqb n THR 202 Cb 0.46 0.60 -0.03 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 -3.37 4.35 0.60 3.22 1.43 -1.23 -5.00 118.68 118.68 1kqb s LEU 203 Ca 0.00 2.27 -0.18 0.00 -1.03 0.00 0.00 54.13 55.20 1kqb s LEU 203 Cb 0.11 -3.86 -0.03 0.00 0.03 0.00 0.00 46.19 42.44 1kqb s LEU 203 CO 0.64 -0.40 1.17 -2.16 0.23 0.00 0.00 176.35 175.83 1kqb s PRO 204 N -1.94 2.98 0.38 1.29 0.04 -1.26 -4.98 135.00 131.50 1kqb s PRO 204 Ca 0.51 1.68 -0.25 0.00 0.04 0.00 0.00 61.00 62.99 1kqb s PRO 204 Cb -0.30 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.20 1kqb s PRO 204 CO 0.38 -1.17 1.04 0.15 0.04 0.00 0.00 177.00 177.44 1kqb s LYS 205 N -3.50 4.27 -0.09 4.56 1.02 -1.26 -5.05 119.74 119.69 1kqb s LYS 205 Ca 0.74 1.50 0.01 0.00 0.02 0.00 0.00 55.97 58.25 1kqb s LYS 205 Cb -0.27 -2.63 0.02 0.00 -0.52 0.00 0.00 37.83 34.43 1kqb s LYS 205 CO 0.34 -0.05 -0.12 0.45 -0.92 0.00 0.00 175.35 175.05 1kqb s SER 206 N -1.52 2.11 0.01 2.83 0.15 -1.26 -5.13 113.70 110.89 1kqb s SER 206 Ca 0.56 -0.34 -0.06 0.00 0.70 0.00 0.00 55.95 56.80 1kqb s SER 206 Cb -0.22 -0.92 -0.00 0.00 -1.71 0.00 0.00 66.02 63.16 1kqb s SER 206 CO 0.28 -0.01 0.10 -0.13 1.20 0.00 0.00 173.24 174.68 1kqb s ARG 207 N 1.05 0.46 0.68 5.44 1.81 -1.26 -5.15 118.95 121.99 1kqb s ARG 207 Ca -0.07 -0.47 -0.16 0.00 -1.72 0.00 0.00 55.73 53.31 1kqb s ARG 207 Cb -0.15 0.19 0.01 0.00 -0.45 0.00 0.00 34.95 34.55 1kqb s ARG 207 CO -0.01 -0.11 1.21 -0.51 -0.68 0.00 0.00 175.30 175.20 1kqb s LEU 208 N -1.46 3.44 0.58 2.53 1.43 -1.26 -4.95 118.68 118.97 1kqb s LEU 208 Ca -0.14 2.37 -0.20 0.00 -1.03 0.00 0.00 54.13 55.13 1kqb s LEU 208 Cb -0.08 -4.59 -0.04 0.00 0.03 0.00 0.00 46.19 41.51 1kqb s LEU 208 CO 0.01 -2.03 1.23 -2.16 0.23 0.00 0.00 176.35 173.63 1kqb s PRO 209 N -3.72 3.04 0.45 1.29 0.04 -1.26 -4.85 135.00 129.99 1kqb s PRO 209 Ca 0.76 1.90 0.13 0.00 0.04 0.00 0.00 61.00 63.83 1kqb s PRO 209 Cb -0.30 -2.01 1.05 0.00 0.04 0.00 0.00 34.50 33.28 1kqb s PRO 209 CO 0.41 -1.17 2.04 -0.07 0.04 0.00 0.00 177.00 178.25 1kqb h LEU 210 N 1.05 0.30 -2.79 -3.56 3.38 -1.96 -0.58 115.31 111.15 1kqb h LEU 210 Ca -0.50 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1kqb h LEU 210 Cb 1.30 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 1kqb h LEU 210 CO 0.56 0.20 0.04 0.77 0.09 0.00 0.00 178.44 180.10 1kqb h SER 211 N 0.34 0.00 0.01 -0.43 4.64 -1.91 -0.79 113.55 115.41 1kqb h SER 211 Ca 0.19 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 61.12 1kqb h SER 211 Cb 0.30 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.34 1kqb h SER 211 CO -0.04 0.00 -2.14 0.41 -0.87 0.00 0.00 176.83 174.19 1kqb n THR 212 N -3.19 1.55 0.35 2.95 -1.04 -0.26 -4.66 114.28 109.98 1kqb n THR 212 Ca -0.03 -0.33 0.12 0.00 -2.04 0.00 0.00 64.05 61.77 1kqb n THR 212 Cb 0.11 -1.85 0.18 0.00 -1.82 0.00 0.00 70.33 66.95 1kqb n THR 212 CO 0.00 0.00 0.00 0.16 -0.64 0.00 0.00 175.07 174.59 1kqb h ILE 213 N -0.79 0.00 -4.01 12.58 3.07 -1.32 -3.46 117.51 123.58 1kqb h ILE 213 Ca -0.57 -0.78 -0.69 0.00 1.55 0.00 0.00 64.86 64.37 1kqb h ILE 213 Cb 1.60 1.58 -0.31 0.00 -0.27 0.00 0.00 36.82 39.42 1kqb h ILE 213 CO -0.28 0.00 -0.87 -0.69 -1.05 0.00 0.00 178.15 175.25 1kqb s VAL 214 N -3.21 2.17 -0.17 0.16 1.01 -0.32 -5.08 120.40 114.96 1kqb s VAL 214 Ca 0.06 -1.03 0.01 0.00 0.00 0.00 0.00 61.98 61.02 1kqb s VAL 214 Cb 0.09 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.70 1kqb s VAL 214 CO 0.69 0.57 -0.20 -0.89 0.00 0.00 0.00 175.10 175.28 1kqb s THR 215 N -0.20 2.13 -0.15 3.92 2.01 -1.26 -4.70 115.64 117.39 1kqb s THR 215 Ca -0.02 -0.93 -0.08 0.00 0.31 0.00 0.00 61.69 60.97 1kqb s THR 215 Cb -0.13 -1.88 -0.04 0.00 0.01 0.00 0.00 72.50 70.45 1kqb s THR 215 CO 0.03 0.54 0.12 -1.61 -0.69 0.00 0.00 174.62 173.01 1kqb s GLU 216 N 1.14 3.73 0.00 4.92 2.02 -1.26 -5.25 118.70 124.00 1kqb s GLU 216 Ca 0.01 -0.20 0.00 0.00 0.02 0.00 0.00 54.97 54.80 1kqb s GLU 216 Cb -0.14 -3.25 0.00 0.00 0.10 0.00 0.00 34.13 30.84 1kqb s GLU 216 CO -0.09 0.56 0.09 0.00 0.02 0.00 0.00 175.26 175.84