#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 0.70 -0.12 5.18 6.09 -2.02 -1.50 117.51 125.85 1kqb h ILE 3 Ca 0.00 -0.19 -0.17 0.00 -1.37 0.00 0.00 64.86 63.13 1kqb h ILE 3 Cb 0.00 1.12 -0.01 0.00 0.47 0.00 0.00 36.82 38.40 1kqb h ILE 3 CO 0.00 0.05 -0.64 0.40 -3.07 0.00 0.00 178.15 174.89 1kqb h ILE 4 N 0.00 1.35 -0.47 2.19 1.08 -2.04 -1.56 117.51 118.06 1kqb h ILE 4 Ca -0.00 -1.97 -0.10 0.00 -0.39 0.00 0.00 64.86 62.40 1kqb h ILE 4 Cb 0.11 1.95 -0.02 0.00 -3.07 0.00 0.00 36.82 35.80 1kqb h ILE 4 CO 0.01 0.60 -0.10 0.28 -0.69 0.00 0.00 178.15 178.24 1kqb h SER 5 N 0.33 0.84 -0.35 1.72 0.02 -1.72 -1.94 113.55 112.45 1kqb h SER 5 Ca -0.01 -0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1kqb h SER 5 Cb 1.19 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.48 1kqb h SER 5 CO 0.11 0.97 0.21 0.58 -1.14 0.00 0.00 176.83 177.56 1kqb h VAL 6 N 0.77 1.12 -0.31 2.27 2.07 -1.12 -0.37 116.25 120.67 1kqb h VAL 6 Ca 0.13 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1kqb h VAL 6 Cb 0.61 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1kqb h VAL 6 CO 0.04 0.12 0.11 0.00 0.02 0.00 0.00 177.57 177.86 1kqb h ALA 7 N 1.09 1.62 -0.00 1.67 0.00 -1.01 0.54 119.26 123.17 1kqb h ALA 7 Ca 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1kqb h ALA 7 Cb 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1kqb h ALA 7 CO -0.02 0.30 -0.16 1.28 0.00 0.00 0.00 179.25 180.64 1kqb n LEU 8 N -4.40 0.52 -0.03 0.00 4.77 -0.76 -4.28 117.00 112.81 1kqb n LEU 8 Ca 0.01 0.01 -0.05 0.00 -0.03 0.00 0.00 56.01 55.96 1kqb n LEU 8 Cb 0.14 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 1kqb n LEU 8 CO 0.36 0.10 -0.72 1.17 -1.33 0.00 0.00 177.39 176.97 1kqb n LYS 9 N -1.02 0.57 -1.48 3.23 3.00 -0.20 -4.86 118.16 117.39 1kqb n LYS 9 Ca 0.12 0.03 -0.37 0.00 -0.00 0.00 0.00 58.31 58.10 1kqb n LYS 9 Cb 0.30 -1.14 0.06 0.00 0.00 0.00 0.00 35.03 34.25 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 -2.64 0.63 -3.81 1.64 1.85 0.18 -5.00 116.66 109.51 1kqb n ARG 10 Ca -0.12 0.26 -0.10 0.00 -1.00 0.00 0.00 57.85 56.89 1kqb n ARG 10 Cb 0.64 -2.03 -0.05 0.00 -1.05 0.00 0.00 32.46 29.97 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 -1.68 0.05 -0.58 2.89 -3.43 -1.26 -4.97 115.29 106.30 1kqb s HIS 11 Ca 0.73 -0.40 -0.28 0.00 -0.80 0.00 0.00 55.06 54.31 1kqb s HIS 11 Cb -0.39 0.23 0.03 0.00 -1.43 0.00 0.00 32.58 31.01 1kqb s HIS 11 CO 0.51 -0.83 1.19 -1.12 -2.00 0.00 0.00 174.74 172.49 1kqb s SER 12 N -2.90 6.45 0.19 7.38 0.01 -1.26 -4.48 113.70 119.09 1kqb s SER 12 Ca 0.11 0.11 -0.32 0.00 1.31 0.00 0.00 55.95 57.16 1kqb s SER 12 Cb 0.01 -2.55 -0.11 0.00 0.21 0.00 0.00 66.02 63.57 1kqb s SER 12 CO -0.03 -1.48 1.70 -0.89 0.41 0.00 0.00 173.24 172.95 1kqb s THR 13 N 4.95 2.21 -0.52 1.44 2.01 -0.73 -4.86 115.64 120.14 1kqb s THR 13 Ca 0.43 0.12 0.19 0.00 0.31 0.00 0.00 61.69 62.73 1kqb s THR 13 Cb -0.07 -3.07 -0.24 0.00 0.01 0.00 0.00 72.50 69.12 1kqb s THR 13 CO 0.25 0.01 0.64 0.29 -0.69 0.00 0.00 174.62 175.12 1kqb n LYS 14 N 4.18 0.74 -3.71 4.92 4.76 -1.26 -4.65 118.16 123.14 1kqb n LYS 14 Ca 0.16 -0.07 -0.11 0.00 -2.87 0.00 0.00 58.31 55.41 1kqb n LYS 14 Cb 0.36 -1.41 -0.11 0.00 -1.84 0.00 0.00 35.03 32.03 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 -2.99 -0.96 0.12 7.82 0.00 -1.26 -4.81 121.76 119.67 1kqb s ALA 15 Ca 0.01 1.33 0.07 0.00 0.00 0.00 0.00 51.96 53.37 1kqb s ALA 15 Cb 0.13 -0.80 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 1kqb s ALA 15 CO 0.78 -0.23 -0.09 -0.06 0.00 0.00 0.00 175.76 176.16 1kqb s PHE 16 N 1.01 2.74 -0.46 0.00 0.40 -1.26 -1.52 117.98 118.88 1kqb s PHE 16 Ca -0.07 -0.16 -0.26 0.00 -0.60 0.00 0.00 56.93 55.84 1kqb s PHE 16 Cb -0.07 -1.41 0.03 0.00 0.51 0.00 0.00 43.02 42.08 1kqb s PHE 16 CO -0.08 0.45 0.96 0.34 0.70 0.00 0.00 175.22 177.59 1kqb s ASP 17 N -2.35 6.52 0.00 1.36 -1.08 0.33 -4.51 116.67 116.95 1kqb s ASP 17 Ca 0.22 0.18 0.08 0.00 -0.52 0.00 0.00 52.55 52.51 1kqb s ASP 17 Cb -0.11 -2.47 0.42 0.00 -1.46 0.00 0.00 42.92 39.30 1kqb s ASP 17 CO 0.14 -1.09 1.12 0.00 0.52 0.00 0.00 175.17 175.87 1kqb n ALA 18 N 7.28 1.57 -0.02 3.66 0.00 -1.25 -2.23 120.51 129.52 1kqb n ALA 18 Ca 0.07 -0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.56 1kqb n ALA 18 Cb 0.49 -1.13 -0.17 0.00 0.00 0.00 0.00 19.45 18.64 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 -1.27 0.02 -4.53 0.00 3.41 -1.26 -4.87 113.62 105.11 1kqb n SER 19 Ca 0.04 0.01 -0.43 0.00 -0.26 0.00 0.00 58.87 58.23 1kqb n SER 19 Cb 0.06 1.87 -0.06 0.00 -0.26 0.00 0.00 64.21 65.83 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 -3.42 3.37 0.22 4.33 1.02 -0.95 -5.04 119.74 119.27 1kqb s LYS 20 Ca -0.08 -0.20 0.06 0.00 0.02 0.00 0.00 55.97 55.77 1kqb s LYS 20 Cb 0.13 -3.94 -0.04 0.00 -0.52 0.00 0.00 37.83 33.47 1kqb s LYS 20 CO 0.90 -1.06 0.19 0.15 -0.92 0.00 0.00 175.35 174.61 1kqb s LYS 21 N 3.08 2.96 0.55 1.68 -0.14 -1.26 -4.46 119.74 122.16 1kqb s LYS 21 Ca 0.27 -0.97 -0.19 0.00 -1.36 0.00 0.00 55.97 53.72 1kqb s LYS 21 Cb -0.13 -2.62 -0.05 0.00 -1.68 0.00 0.00 37.83 33.35 1kqb s LYS 21 CO 0.21 0.43 1.10 -0.51 -0.76 0.00 0.00 175.35 175.82 1kqb s LEU 22 N -3.63 3.70 0.83 3.17 1.43 -1.26 -5.01 118.68 117.90 1kqb s LEU 22 Ca 0.32 2.06 -0.12 0.00 -1.03 0.00 0.00 54.13 55.36 1kqb s LEU 22 Cb -0.09 -4.57 0.09 0.00 0.03 0.00 0.00 46.19 41.65 1kqb s LEU 22 CO 0.25 -1.16 1.11 0.42 0.23 0.00 0.00 176.35 177.20 1kqb s THR 23 N -1.97 2.75 0.31 5.49 -4.23 -1.26 -4.82 115.64 111.92 1kqb s THR 23 Ca 0.70 0.24 -0.01 0.00 -1.18 0.00 0.00 61.69 61.44 1kqb s THR 23 Cb -0.21 -3.01 0.26 0.00 1.34 0.00 0.00 72.50 70.88 1kqb s THR 23 CO 0.28 -0.32 1.98 0.00 -0.54 0.00 0.00 174.62 176.02 1kqb h ALA 24 N -1.19 1.44 -0.27 3.99 0.00 -1.99 -1.03 119.26 120.21 1kqb h ALA 24 Ca -0.48 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.32 1kqb h ALA 24 Cb 1.29 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1kqb h ALA 24 CO 0.60 0.52 -0.02 1.49 0.00 0.00 0.00 179.25 181.84 1kqb h GLU 25 N 1.05 0.50 -0.94 0.00 4.81 -2.00 -2.33 114.58 115.67 1kqb h GLU 25 Ca 0.28 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1kqb h GLU 25 Cb -0.11 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.18 1kqb h GLU 25 CO -0.06 0.68 0.57 0.93 -0.73 0.00 0.00 179.01 180.39 1kqb h GLU 26 N 0.27 1.27 -0.83 1.92 5.08 -1.79 -0.08 114.58 120.42 1kqb h GLU 26 Ca 0.07 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1kqb h GLU 26 Cb 0.47 -0.27 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 1kqb h GLU 26 CO 0.02 0.89 0.45 0.00 -1.00 0.00 0.00 179.01 179.36 1kqb h ALA 27 N 1.33 1.22 -0.53 3.43 0.00 -1.07 -0.24 119.26 123.39 1kqb h ALA 27 Ca 0.34 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 1kqb h ALA 27 Cb -0.06 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.38 1kqb h ALA 27 CO -0.06 0.63 -0.11 0.93 0.00 0.00 0.00 179.25 180.63 1kqb h GLU 28 N 1.17 1.02 -0.58 0.00 4.39 -0.78 -3.04 114.58 116.77 1kqb h GLU 28 Ca 0.29 -0.38 -0.08 0.00 0.34 0.00 0.00 59.36 59.53 1kqb h GLU 28 Cb 0.04 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 1kqb h GLU 28 CO -0.05 1.07 0.03 0.87 -1.16 0.00 0.00 179.01 179.78 1kqb h LYS 29 N 0.90 1.00 0.00 2.33 1.57 -0.26 -2.00 116.57 120.11 1kqb h LYS 29 Ca 0.14 -0.30 -0.06 0.00 -1.87 0.00 0.00 60.65 58.55 1kqb h LYS 29 Cb 0.69 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1kqb h LYS 29 CO 0.05 0.97 -0.31 -0.84 -0.57 0.00 0.00 179.45 178.76 1kqb h ILE 30 N 0.89 1.18 -0.16 1.86 3.07 -1.06 -1.24 117.51 122.04 1kqb h ILE 30 Ca 0.17 -1.06 -0.16 0.00 1.55 0.00 0.00 64.86 65.36 1kqb h ILE 30 Cb 0.50 1.58 -0.01 0.00 -0.27 0.00 0.00 36.82 38.62 1kqb h ILE 30 CO 0.02 0.30 -0.55 0.11 -1.05 0.00 0.00 178.15 176.98 1kqb h LYS 31 N 0.00 0.49 -0.61 0.16 1.57 -1.38 -2.40 116.57 114.41 1kqb h LYS 31 Ca -0.00 -0.31 -0.06 0.00 -1.87 0.00 0.00 60.65 58.40 1kqb h LYS 31 Cb 0.55 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 1kqb h LYS 31 CO 0.04 0.91 0.12 1.15 -0.57 0.00 0.00 179.45 181.10 1kqb h THR 32 N 0.38 1.25 -0.56 -0.16 2.02 -0.58 -1.36 112.91 113.90 1kqb h THR 32 Ca 0.01 -0.93 -0.03 0.00 0.77 0.00 0.00 66.41 66.23 1kqb h THR 32 Cb 1.08 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 68.11 1kqb h THR 32 CO 0.10 0.35 0.23 -0.07 0.37 0.00 0.00 175.52 176.50 1kqb h LEU 33 N 0.92 0.76 -0.42 2.58 3.38 -1.03 -0.36 115.31 121.14 1kqb h LEU 33 Ca 0.19 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1kqb h LEU 33 Cb 0.36 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1kqb h LEU 33 CO 0.00 0.72 0.20 -0.07 0.09 0.00 0.00 178.44 179.39 1kqb h LEU 34 N 0.76 0.55 -0.41 1.67 3.38 -1.12 -3.08 115.31 117.06 1kqb h LEU 34 Ca 0.19 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 1kqb h LEU 34 Cb 0.19 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1kqb h LEU 34 CO -0.02 0.52 -0.11 -0.61 0.09 0.00 0.00 178.44 178.32 1kqb h GLN 35 N 0.54 0.80 -0.22 1.13 4.15 -0.99 -3.29 115.11 117.23 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 0.12 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.76 1kqb h GLN 35 CO -0.02 0.93 0.00 0.66 -1.93 0.00 0.00 178.83 178.47 1kqb n TYR 36 N -4.31 0.29 -1.85 3.99 4.02 -0.17 -4.92 117.16 114.22 1kqb n TYR 36 Ca -0.01 -0.14 -0.38 0.00 -0.01 0.00 0.00 57.90 57.36 1kqb n TYR 36 Cb 0.37 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.73 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 -1.33 5.30 0.81 7.72 0.15 -1.17 -4.99 113.70 120.20 1kqb s SER 37 Ca 0.27 2.67 -0.12 0.00 0.70 0.00 0.00 55.95 59.48 1kqb s SER 37 Cb 0.15 -2.63 0.08 0.00 -1.71 0.00 0.00 66.02 61.91 1kqb s SER 37 CO 0.21 -1.54 1.16 -2.16 1.20 0.00 0.00 173.24 172.11 1kqb s PRO 38 N -2.96 1.93 -0.00 5.44 0.04 -1.26 -5.01 135.00 133.18 1kqb s PRO 38 Ca 0.72 0.18 -0.28 0.00 0.04 0.00 0.00 61.00 61.66 1kqb s PRO 38 Cb -0.38 -1.94 0.09 0.00 0.04 0.00 0.00 34.50 32.31 1kqb s PRO 38 CO 0.44 -1.63 0.78 -1.54 0.04 0.00 0.00 177.00 175.09 1kqb s SER 39 N -4.47 -0.50 0.02 6.66 1.04 -1.26 -4.75 113.70 110.45 1kqb s SER 39 Ca 0.62 0.28 -0.33 0.00 0.48 0.00 0.00 55.95 56.99 1kqb s SER 39 Cb -0.12 0.47 -0.12 0.00 0.10 0.00 0.00 66.02 66.36 1kqb s SER 39 CO 0.50 -0.66 1.82 -0.24 0.98 0.00 0.00 173.24 175.64 1kqb n SER 40 N 0.23 3.56 -0.68 7.02 2.88 -1.26 -0.50 113.62 124.87 1kqb n SER 40 Ca -0.14 0.99 -0.09 0.00 -1.33 0.00 0.00 58.87 58.30 1kqb n SER 40 Cb 0.61 -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 4.73 0.00 -2.71 2.46 -2.24 -1.26 -1.34 114.28 113.92 1kqb n THR 41 Ca 0.20 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.77 1kqb n THR 41 Cb 0.32 -1.36 0.01 0.00 -2.10 0.00 0.00 70.33 67.20 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 -1.02 -5.95 0.28 3.42 5.15 0.35 -4.87 115.26 112.62 1kqb n ASN 42 Ca -0.09 -0.15 0.15 0.00 -0.60 0.00 0.00 54.58 53.89 1kqb n ASN 42 Cb 0.54 -4.86 0.82 0.00 -0.53 0.00 0.00 39.78 35.76 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 -0.71 0.00 -6.90 1.20 4.64 -1.38 -3.47 113.55 106.94 1kqb h SER 43 Ca -0.50 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.28 1kqb h SER 43 Cb 1.36 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.33 1kqb h SER 43 CO 0.57 0.07 -0.86 0.00 -0.87 0.00 0.00 176.83 175.74 1kqb n GLN 44 N -3.55 -0.70 -1.00 4.77 6.02 -1.26 -4.74 117.38 116.91 1kqb n GLN 44 Ca -0.02 0.04 -0.20 0.00 -0.01 0.00 0.00 57.00 56.81 1kqb n GLN 44 Cb 0.20 -2.68 -0.11 0.00 1.02 0.00 0.00 30.24 28.66 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 -4.28 2.36 -4.15 -1.09 -0.04 -1.26 -4.86 135.00 121.68 1kqb n PRO 45 Ca -0.21 -1.31 -0.11 0.00 -0.04 0.00 0.00 63.50 61.83 1kqb n PRO 45 Cb 0.56 -2.23 -0.09 0.00 -0.04 0.00 0.00 33.50 31.71 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 1.64 0.95 -0.04 0.54 -2.14 -1.26 -1.50 118.94 117.12 1kqb s TRP 46 Ca 0.62 -1.21 -0.16 0.00 2.66 0.00 0.00 56.10 58.01 1kqb s TRP 46 Cb 0.24 -0.39 0.03 0.00 -3.10 0.00 0.00 33.47 30.26 1kqb s TRP 46 CO -0.02 -0.70 0.35 -1.58 -2.66 0.00 0.00 176.95 172.33 1kqb s HIS 47 N -4.11 -0.25 -0.03 1.66 2.46 -0.80 -4.93 115.29 109.29 1kqb s HIS 47 Ca 0.34 0.45 0.03 0.00 0.47 0.00 0.00 55.06 56.35 1kqb s HIS 47 Cb 0.05 0.13 0.00 0.00 -0.13 0.00 0.00 32.58 32.63 1kqb s HIS 47 CO 0.10 -0.37 -0.11 -0.06 -2.47 0.00 0.00 174.74 171.83 1kqb s PHE 48 N -1.05 1.17 -0.22 3.88 0.08 -1.26 -1.17 117.98 119.41 1kqb s PHE 48 Ca -0.11 -0.31 -0.07 0.00 0.12 0.00 0.00 56.93 56.56 1kqb s PHE 48 Cb -0.04 -0.81 -0.03 0.00 -0.57 0.00 0.00 43.02 41.56 1kqb s PHE 48 CO 0.04 -0.12 0.06 0.42 -0.10 0.00 0.00 175.22 175.53 1kqb s ILE 49 N 0.15 4.53 -0.35 0.64 1.01 -0.79 -4.93 121.20 121.44 1kqb s ILE 49 Ca -0.03 -0.11 0.02 0.00 0.00 0.00 0.00 60.65 60.52 1kqb s ILE 49 Cb -0.09 -3.08 0.10 0.00 0.01 0.00 0.00 42.46 39.40 1kqb s ILE 49 CO 0.01 0.39 0.08 -0.69 0.00 0.00 0.00 174.94 174.73 1kqb s VAL 50 N 1.01 2.58 -0.22 2.92 1.01 -1.26 -0.35 120.40 126.09 1kqb s VAL 50 Ca 0.04 -2.18 -0.16 0.00 0.00 0.00 0.00 61.98 59.68 1kqb s VAL 50 Cb -0.14 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 1kqb s VAL 50 CO 0.03 -0.57 0.40 0.00 0.00 0.00 0.00 175.10 174.96 1kqb s ALA 51 N 0.99 3.56 0.00 5.51 0.00 -0.40 -4.90 121.76 126.52 1kqb s ALA 51 Ca 0.08 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.47 1kqb s ALA 51 Cb -0.20 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.26 1kqb s ALA 51 CO -0.06 -0.38 0.00 -1.13 0.00 0.00 0.00 175.76 174.18 1kqb n SER 52 N 4.67 2.68 -4.91 0.00 3.41 -1.26 -0.58 113.62 117.63 1kqb n SER 52 Ca -0.08 -0.11 -0.27 0.00 -0.26 0.00 0.00 58.87 58.15 1kqb n SER 52 Cb 0.51 0.76 -0.01 0.00 -0.26 0.00 0.00 64.21 65.21 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 -1.29 4.92 0.31 6.66 -4.23 -1.26 -4.87 115.64 115.88 1kqb s THR 53 Ca 0.00 0.18 0.01 0.00 -1.18 0.00 0.00 61.69 60.69 1kqb s THR 53 Cb 0.00 -3.85 0.18 0.00 1.34 0.00 0.00 72.50 70.17 1kqb s THR 53 CO 0.00 -0.77 1.88 -0.08 -0.54 0.00 0.00 174.62 175.11 1kqb h GLU 54 N 0.44 0.76 -0.47 3.99 4.57 -1.97 -1.08 114.58 120.83 1kqb h GLU 54 Ca -0.47 -0.13 -0.11 0.00 -1.18 0.00 0.00 59.36 57.47 1kqb h GLU 54 Cb 1.20 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.65 1kqb h GLU 54 CO 0.62 0.66 -0.14 0.93 -1.18 0.00 0.00 179.01 179.90 1kqb h GLU 55 N 0.74 0.92 -0.37 1.92 3.07 -1.99 -1.39 114.58 117.48 1kqb h GLU 55 Ca 0.17 -0.36 -0.03 0.00 -0.50 0.00 0.00 59.36 58.64 1kqb h GLU 55 Cb 0.21 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.06 1kqb h GLU 55 CO -0.01 1.02 0.10 0.78 -1.40 0.00 0.00 179.01 179.50 1kqb h GLY 56 N 0.76 0.63 1.60 -3.84 0.00 -1.82 -2.01 103.07 98.39 1kqb h GLY 56 Ca 0.12 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 47.00 1kqb h GLY 56 CO 0.05 0.36 -0.10 0.50 0.00 0.00 0.00 176.54 177.35 1kqb h LYS 57 N 0.45 0.49 -0.56 4.80 1.57 -1.16 -2.29 116.57 119.87 1kqb h LYS 57 Ca 0.12 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 1kqb h LYS 57 Cb 0.28 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1kqb h LYS 57 CO -0.00 0.59 0.07 0.00 -0.57 0.00 0.00 179.45 179.54 1kqb h ALA 58 N 1.44 1.07 -0.54 3.86 0.00 -0.95 0.80 119.26 124.95 1kqb h ALA 58 Ca 0.09 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1kqb h ALA 58 Cb 0.45 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1kqb h ALA 58 CO 0.02 0.60 0.06 0.00 0.00 0.00 0.00 179.25 179.93 1kqb h ARG 59 N 0.85 0.91 -0.45 0.00 3.08 -0.84 -2.76 114.38 115.19 1kqb h ARG 59 Ca 0.17 -0.26 -0.10 0.00 0.07 0.00 0.00 59.98 59.86 1kqb h ARG 59 Cb 0.41 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1kqb h ARG 59 CO 0.01 0.90 -0.13 0.28 -1.07 0.00 0.00 179.97 179.96 1kqb h VAL 60 N 0.79 1.27 0.00 2.04 2.07 -1.15 -2.77 116.25 118.51 1kqb h VAL 60 Ca 0.16 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.42 1kqb h VAL 60 Cb 0.45 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1kqb h VAL 60 CO 0.02 0.43 0.01 0.00 0.02 0.00 0.00 177.57 178.05 1kqb n ALA 61 N -2.48 1.01 0.27 1.67 0.00 0.25 -1.43 120.51 119.79 1kqb n ALA 61 Ca -0.00 0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.68 1kqb n ALA 61 Cb 0.40 -1.17 0.74 0.00 0.00 0.00 0.00 19.45 19.42 1kqb n ALA 61 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1kqb h LYS 62 N 0.00 0.00 0.00 0.00 1.57 -1.22 -1.39 116.57 115.54 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 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1kqb h LYS 62 CO 0.00 0.09 0.00 -1.13 -0.57 0.00 0.00 179.45 177.84 1kqb n SER 63 N -3.88 0.54 -3.13 0.86 3.41 -0.52 -3.72 113.62 107.19 1kqb n SER 63 Ca -0.02 0.57 -0.36 0.00 -0.26 0.00 0.00 58.87 58.80 1kqb n SER 63 Cb 0.18 -0.71 -0.02 0.00 -0.26 0.00 0.00 64.21 63.40 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 -1.70 6.57 -2.84 7.33 0.00 -0.52 -0.11 120.51 129.24 1kqb n ALA 64 Ca 0.05 -3.82 -0.21 0.00 0.00 0.00 0.00 53.44 49.46 1kqb n ALA 64 Cb 0.35 -2.42 -0.03 0.00 0.00 0.00 0.00 19.45 17.35 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 -2.03 3.86 0.00 0.00 0.00 -1.24 -3.11 121.76 119.23 1kqb s ALA 65 Ca 0.53 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 51.16 1kqb s ALA 65 Cb 0.27 -1.56 0.00 0.00 0.00 0.00 0.00 23.12 21.83 1kqb s ALA 65 CO -0.17 0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.20 1kqb n GLY 66 N -1.37 2.72 0.39 0.00 0.00 -1.26 -1.09 105.19 104.58 1kqb n GLY 66 Ca -0.07 0.33 0.20 0.00 0.00 0.00 0.00 46.02 46.48 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 0.73 -0.55 2.61 2.02 -1.98 -1.88 112.91 113.87 1kqb h THR 67 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1kqb h THR 67 Cb 0.00 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1kqb h THR 67 CO 0.00 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.67 1kqb n TYR 68 N -4.38 0.73 0.33 3.16 4.01 -0.25 -4.43 117.16 116.33 1kqb n TYR 68 Ca 0.10 -0.36 0.21 0.00 -0.16 0.00 0.00 57.90 57.69 1kqb n TYR 68 Cb 0.62 0.00 1.16 0.00 -0.31 0.00 0.00 39.34 40.81 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 3.29 0.09 0.00 -0.72 3.04 -1.27 -0.96 116.25 119.72 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 0.75 0.99 0.00 0.00 -2.01 0.00 0.00 31.29 31.02 1kqb h VAL 69 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.57 177.05 1kqb n PHE 70 N -3.21 0.00 0.64 3.17 3.01 -1.26 -2.05 117.46 117.75 1kqb n PHE 70 Ca -0.03 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.50 1kqb n PHE 70 Cb 0.08 -0.14 0.01 0.00 -0.01 0.00 0.00 39.48 39.42 1kqb n PHE 70 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1kqb n ASN 71 N -1.14 1.61 -0.03 4.37 3.02 -0.36 -4.66 115.26 118.07 1kqb n ASN 71 Ca 0.14 -1.31 -0.09 0.00 -0.03 0.00 0.00 54.58 53.29 1kqb n ASN 71 Cb 0.12 0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 39.66 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 1.79 0.10 -0.68 3.52 4.81 -1.50 -2.97 114.58 119.65 1kqb h GLU 72 Ca 0.00 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1kqb h GLU 72 Cb 0.51 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.83 1kqb h GLU 72 CO 0.00 0.06 0.45 0.00 -0.73 0.00 0.00 179.01 178.79 1kqb h ARG 73 N 0.10 0.83 -0.85 1.92 3.08 -1.83 -1.66 114.38 115.97 1kqb h ARG 73 Ca 0.08 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 1kqb h ARG 73 Cb 0.07 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 29.89 1kqb h ARG 73 CO -0.10 0.55 0.45 0.87 -1.07 0.00 0.00 179.97 180.66 1kqb h LYS 74 N 0.85 1.19 0.00 0.04 1.57 -1.84 0.17 116.57 118.56 1kqb h LYS 74 Ca 0.26 -0.15 -0.12 0.00 -1.87 0.00 0.00 60.65 58.78 1kqb h LYS 74 Cb 0.00 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.07 1kqb h LYS 74 CO -0.07 0.89 -0.56 0.52 -0.57 0.00 0.00 179.45 179.65 1kqb h MET 75 N 1.19 0.00 0.07 3.15 2.86 -1.26 -2.88 114.93 118.06 1kqb h MET 75 Ca 0.30 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.61 1kqb h MET 75 Cb 0.05 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 1kqb h MET 75 CO -0.04 0.56 -1.78 -0.07 1.06 0.00 0.00 176.91 176.64 1kqb h LEU 76 N 0.00 0.25 0.00 1.22 3.38 -0.87 -3.39 115.31 115.90 1kqb h LEU 76 Ca -0.01 -0.50 -0.09 0.00 0.09 0.00 0.00 57.88 57.38 1kqb h LEU 76 Cb 1.03 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1kqb h LEU 76 CO 0.07 1.44 -0.64 0.44 0.09 0.00 0.00 178.44 179.84 1kqb h ASP 77 N 0.04 0.00 -3.97 -0.43 3.32 -0.76 -3.47 116.42 111.15 1kqb h ASP 77 Ca -0.33 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.23 1kqb h ASP 77 Cb 2.02 0.00 0.19 0.00 0.22 0.00 0.00 39.33 41.76 1kqb h ASP 77 CO 0.10 0.40 0.18 0.00 -1.72 0.00 0.00 179.24 178.20 1kqb s ALA 78 N -3.02 1.02 -0.12 3.45 0.00 -1.09 -3.78 121.76 118.22 1kqb s ALA 78 Ca 0.03 0.28 -0.25 0.00 0.00 0.00 0.00 51.96 52.01 1kqb s ALA 78 Cb 0.08 -3.34 -0.22 0.00 0.00 0.00 0.00 23.12 19.63 1kqb s ALA 78 CO 0.75 -2.91 0.76 1.03 0.00 0.00 0.00 175.76 175.39 1kqb h SER 79 N -1.97 -0.01 -3.90 0.00 0.87 -1.35 -3.46 113.55 103.73 1kqb h SER 79 Ca -0.49 -0.80 -0.46 0.00 -1.23 0.00 0.00 61.79 58.80 1kqb h SER 79 Cb 1.28 0.00 -0.31 0.00 -0.44 0.00 0.00 62.40 62.94 1kqb h SER 79 CO 0.47 0.85 -0.80 -1.00 -0.53 0.00 0.00 176.83 175.82 1kqb s HIS 80 N -2.46 1.15 -0.20 2.24 3.76 -0.67 -4.49 115.29 114.62 1kqb s HIS 80 Ca -0.16 -0.29 0.01 0.00 -0.15 0.00 0.00 55.06 54.47 1kqb s HIS 80 Cb -0.02 -0.79 0.02 0.00 1.11 0.00 0.00 32.58 32.90 1kqb s HIS 80 CO 0.61 -0.10 -0.17 0.08 -0.85 0.00 0.00 174.74 174.31 1kqb s VAL 81 N 0.06 2.23 -0.23 -0.90 1.01 0.26 0.88 120.40 123.71 1kqb s VAL 81 Ca -0.02 -1.01 -0.10 0.00 0.00 0.00 0.00 61.98 60.85 1kqb s VAL 81 Cb -0.08 -2.01 -0.05 0.00 0.00 0.00 0.00 36.38 34.24 1kqb s VAL 81 CO 0.01 0.43 0.14 -0.69 0.00 0.00 0.00 175.10 174.99 1kqb s VAL 82 N 1.28 5.33 -0.32 2.92 1.01 -0.34 -1.27 120.40 129.01 1kqb s VAL 82 Ca 0.03 0.17 -0.10 0.00 0.00 0.00 0.00 61.98 62.07 1kqb s VAL 82 Cb -0.14 -3.47 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 1kqb s VAL 82 CO -0.11 0.38 0.17 -0.69 0.00 0.00 0.00 175.10 174.85 1kqb s VAL 83 N 0.83 4.73 -0.21 2.92 1.01 0.53 0.43 120.40 130.63 1kqb s VAL 83 Ca 0.07 -0.40 -0.23 0.00 0.00 0.00 0.00 61.98 61.42 1kqb s VAL 83 Cb -0.13 -3.42 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 1kqb s VAL 83 CO 0.02 0.04 0.75 -0.36 0.00 0.00 0.00 175.10 175.56 1kqb s PHE 84 N 1.63 3.36 0.07 5.22 0.40 0.90 -1.89 117.98 127.67 1kqb s PHE 84 Ca 0.05 1.08 0.09 0.00 -0.60 0.00 0.00 56.93 57.55 1kqb s PHE 84 Cb -0.17 -2.95 -0.03 0.00 0.51 0.00 0.00 43.02 40.38 1kqb s PHE 84 CO 0.07 -0.29 -0.25 0.00 0.70 0.00 0.00 175.22 175.46 1kqb s ALA 86 N -0.92 2.92 0.57 0.00 0.00 -0.46 -1.90 121.76 121.98 1kqb s ALA 86 Ca 0.11 -1.44 -0.19 0.00 0.00 0.00 0.00 51.96 50.44 1kqb s ALA 86 Cb -0.10 -0.74 -0.05 0.00 0.00 0.00 0.00 23.12 22.23 1kqb s ALA 86 CO 0.03 0.50 1.15 0.15 0.00 0.00 0.00 175.76 177.59 1kqb s LYS 87 N -2.70 3.18 0.11 0.00 1.02 -0.57 -1.19 119.74 119.59 1kqb s LYS 87 Ca 0.24 1.67 0.24 0.00 0.02 0.00 0.00 55.97 58.13 1kqb s LYS 87 Cb -0.09 -1.98 0.23 0.00 -0.52 0.00 0.00 37.83 35.47 1kqb s LYS 87 CO 0.15 -1.00 1.21 0.25 -0.92 0.00 0.00 175.35 175.03 1kqb n THR 88 N -1.49 0.34 -3.62 2.17 -2.24 -0.23 -4.79 114.28 104.42 1kqb n THR 88 Ca 0.12 -0.30 -0.14 0.00 -2.27 0.00 0.00 64.05 61.46 1kqb n THR 88 Cb 0.51 -0.06 -0.07 0.00 -2.10 0.00 0.00 70.33 68.60 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 -3.20 -1.76 -0.55 6.98 0.00 -1.26 -4.55 121.76 117.42 1kqb s ALA 89 Ca 0.05 1.94 -0.23 0.00 0.00 0.00 0.00 51.96 53.72 1kqb s ALA 89 Cb 0.13 -1.06 0.05 0.00 0.00 0.00 0.00 23.12 22.24 1kqb s ALA 89 CO 0.75 -0.34 0.88 1.41 0.00 0.00 0.00 175.76 178.46 1kqb s MET 90 N 0.23 3.27 0.23 0.00 1.75 -1.26 -5.03 119.30 118.49 1kqb s MET 90 Ca -0.01 -0.43 -0.04 0.00 -1.25 0.00 0.00 55.69 53.96 1kqb s MET 90 Cb -0.04 -4.07 -0.05 0.00 2.84 0.00 0.00 34.83 33.50 1kqb s MET 90 CO 0.02 -1.45 0.47 0.16 -0.65 0.00 0.00 175.02 173.56 1kqb s ASP 91 N 2.86 6.45 0.36 1.11 -4.77 -1.26 -5.00 116.67 116.44 1kqb s ASP 91 Ca 0.27 0.61 0.04 0.00 -3.30 0.00 0.00 52.55 50.17 1kqb s ASP 91 Cb -0.14 -2.10 0.71 0.00 -1.09 0.00 0.00 42.92 40.30 1kqb s ASP 91 CO 0.17 -0.09 2.00 0.44 0.70 0.00 0.00 175.17 178.40 1kqb h ASP 92 N 2.09 0.66 -0.61 2.11 3.32 -2.00 -2.48 116.42 119.51 1kqb h ASP 92 Ca -0.47 -0.01 0.11 0.00 0.02 0.00 0.00 57.03 56.68 1kqb h ASP 92 Cb 1.18 -0.16 -0.08 0.00 0.22 0.00 0.00 39.33 40.49 1kqb h ASP 92 CO 0.68 0.46 0.16 0.00 -1.72 0.00 0.00 179.24 178.83 1kqb h ALA 93 N 1.63 0.75 -0.35 3.45 0.00 -1.99 0.15 119.26 122.90 1kqb h ALA 93 Ca 0.24 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.24 1kqb h ALA 93 Cb 0.02 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1kqb h ALA 93 CO -0.06 -0.27 0.08 2.35 0.00 0.00 0.00 179.25 181.34 1kqb h TRP 94 N 0.31 0.59 -0.78 0.00 2.91 -1.86 -1.90 115.95 115.22 1kqb h TRP 94 Ca 0.32 -0.07 0.02 0.00 1.13 0.00 0.00 58.89 60.29 1kqb h TRP 94 Cb 0.46 -0.17 -0.04 0.00 -0.51 0.00 0.00 29.16 28.90 1kqb h TRP 94 CO -0.22 0.61 0.51 -0.07 -1.03 0.00 0.00 178.44 178.24 1kqb h LEU 95 N 0.41 0.85 -0.46 0.65 3.38 -1.18 -1.27 115.31 117.69 1kqb h LEU 95 Ca 0.11 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 1kqb h LEU 95 Cb 0.32 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1kqb h LEU 95 CO 0.00 0.60 -0.09 -0.33 0.09 0.00 0.00 178.44 178.71 1kqb h GLU 96 N 0.99 0.88 -0.85 1.13 5.08 -0.73 -2.46 114.58 118.62 1kqb h GLU 96 Ca 0.30 -0.33 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1kqb h GLU 96 Cb -0.02 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 1kqb h GLU 96 CO -0.08 0.97 0.56 0.00 -1.00 0.00 0.00 179.01 179.45 1kqb h ARG 97 N 0.72 1.13 0.14 2.33 3.08 -0.49 -0.86 114.38 120.43 1kqb h ARG 97 Ca 0.12 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 1kqb h ARG 97 Cb 0.63 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1kqb h ARG 97 CO 0.04 0.76 -0.07 0.28 -1.07 0.00 0.00 179.97 179.91 1kqb h VAL 98 N 1.16 0.89 -0.29 2.04 2.07 -1.06 -0.96 116.25 120.10 1kqb h VAL 98 Ca 0.31 -0.12 -0.10 0.00 0.82 0.00 0.00 66.70 67.62 1kqb h VAL 98 Cb -0.12 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1kqb h VAL 98 CO -0.07 0.03 -0.24 1.62 0.02 0.00 0.00 177.57 178.93 1kqb h VAL 99 N -0.25 1.27 -0.27 2.57 3.04 -1.28 -1.64 116.25 119.69 1kqb h VAL 99 Ca -0.02 -1.27 -0.10 0.00 -1.01 0.00 0.00 66.70 64.30 1kqb h VAL 99 Cb 0.19 1.31 -0.01 0.00 -2.01 0.00 0.00 31.29 30.76 1kqb h VAL 99 CO 0.03 0.41 -0.24 0.44 -1.01 0.00 0.00 177.57 177.20 1kqb h ASP 100 N 0.49 0.53 -0.35 3.17 3.32 -1.03 -1.70 116.42 120.85 1kqb h ASP 100 Ca 0.07 -0.18 -0.14 0.00 0.02 0.00 0.00 57.03 56.80 1kqb h ASP 100 Cb 0.68 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 1kqb h ASP 100 CO 0.05 0.77 -0.31 -0.61 -1.72 0.00 0.00 179.24 177.41 1kqb h GLN 101 N 0.46 0.88 -0.75 3.56 5.75 -0.87 -1.30 115.11 122.86 1kqb h GLN 101 Ca 0.07 -0.42 -0.03 0.00 -0.15 0.00 0.00 58.65 58.12 1kqb h GLN 101 Cb 0.67 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.18 1kqb h GLN 101 CO 0.05 1.06 0.33 0.93 -2.65 0.00 0.00 178.83 178.55 1kqb h GLU 102 N 0.74 1.08 -0.51 1.69 5.08 -0.97 -0.79 114.58 120.90 1kqb h GLU 102 Ca 0.08 -0.17 -0.12 0.00 -1.00 0.00 0.00 59.36 58.15 1kqb h GLU 102 Cb 0.88 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 1kqb h GLU 102 CO 0.08 0.86 -0.14 1.49 -1.00 0.00 0.00 179.01 180.29 1kqb h GLU 103 N 1.07 0.99 -0.33 2.33 4.81 -1.09 -2.05 114.58 120.31 1kqb h GLU 103 Ca 0.25 -0.38 -0.03 0.00 -0.13 0.00 0.00 59.36 59.07 1kqb h GLU 103 Cb 0.15 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1kqb h GLU 103 CO -0.03 1.06 0.07 0.00 -0.73 0.00 0.00 179.01 179.38 1kqb h ALA 104 N 0.95 1.50 -0.04 2.92 0.00 -0.62 -1.69 119.26 122.28 1kqb h ALA 104 Ca 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1kqb h ALA 104 Cb 0.71 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1kqb h ALA 104 CO 0.05 0.37 0.00 -0.25 0.00 0.00 0.00 179.25 179.43 1kqb n ASP 105 N -4.34 0.51 -0.49 0.00 8.00 -0.36 -4.92 116.55 114.95 1kqb n ASP 105 Ca 0.02 -1.39 -0.03 0.00 0.71 0.00 0.00 54.79 54.10 1kqb n ASP 105 Cb 0.19 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 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 0.95 0.41 0.15 0.44 0.00 -0.63 -4.97 105.19 101.53 1kqb n GLY 106 Ca 0.17 -0.71 0.13 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.21 0.56 -5.15 1.61 1.74 -0.80 -4.85 116.66 108.56 1kqb n ARG 107 Ca -0.02 -0.30 -0.32 0.00 -0.77 0.00 0.00 57.85 56.44 1kqb n ARG 107 Cb 0.52 -1.49 -0.16 0.00 -1.02 0.00 0.00 32.46 30.31 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 -2.65 2.55 -0.88 -1.55 0.08 -1.26 -5.01 117.98 109.27 1kqb s PHE 108 Ca 0.21 -0.76 0.24 0.00 0.12 0.00 0.00 56.93 56.74 1kqb s PHE 108 Cb 0.19 -1.67 0.25 0.00 -0.57 0.00 0.00 43.02 41.22 1kqb s PHE 108 CO 0.56 -0.24 1.22 0.27 -0.10 0.00 0.00 175.22 176.93 1kqb n ASN 109 N 3.14 0.63 -3.80 1.36 6.94 -1.26 -4.95 115.26 117.32 1kqb n ASN 109 Ca -0.18 -0.35 -0.10 0.00 -0.02 0.00 0.00 54.58 53.94 1kqb n ASN 109 Cb 0.52 0.51 -0.06 0.00 -2.36 0.00 0.00 39.78 38.40 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 -3.06 0.08 0.27 5.53 -4.23 -1.26 -5.03 115.64 107.94 1kqb s THR 110 Ca 0.08 -1.01 -0.01 0.00 -1.18 0.00 0.00 61.69 59.57 1kqb s THR 110 Cb 0.16 -1.46 0.11 0.00 1.34 0.00 0.00 72.50 72.65 1kqb s THR 110 CO 0.76 -0.39 1.76 -0.65 -0.54 0.00 0.00 174.62 175.56 1kqb h PRO 111 N 2.51 0.73 -0.94 3.99 0.11 -2.00 -2.37 132.00 134.03 1kqb h PRO 111 Ca -0.33 -0.20 0.02 0.00 0.11 0.00 0.00 66.00 65.60 1kqb h PRO 111 Cb 1.23 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 32.21 1kqb h PRO 111 CO 0.49 0.77 0.62 0.93 -0.21 0.00 0.00 178.00 180.59 1kqb h GLU 112 N 0.68 1.18 -0.80 1.05 3.07 -1.99 -0.58 114.58 117.20 1kqb h GLU 112 Ca 0.13 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 58.89 1kqb h GLU 112 Cb 0.47 -0.27 -0.04 0.00 -0.84 0.00 0.00 28.75 28.08 1kqb h GLU 112 CO 0.02 0.78 0.40 0.00 -1.40 0.00 0.00 179.01 178.82 1kqb h ALA 113 N 1.44 1.02 -0.21 3.43 0.00 -1.84 -0.03 119.26 123.08 1kqb h ALA 113 Ca 0.36 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1kqb h ALA 113 Cb -0.06 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1kqb h ALA 113 CO -0.10 0.57 -0.05 -0.22 0.00 0.00 0.00 179.25 179.45 1kqb h LYS 114 N 1.12 0.41 -0.96 0.00 3.64 -1.11 -1.76 116.57 117.90 1kqb h LYS 114 Ca 0.28 -0.16 0.05 0.00 -1.27 0.00 0.00 60.65 59.55 1kqb h LYS 114 Cb 0.08 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.82 1kqb h LYS 114 CO -0.04 0.65 0.62 0.00 -2.27 0.00 0.00 179.45 178.42 1kqb h ALA 115 N 0.74 1.30 -0.58 5.00 0.00 -0.84 0.26 119.26 125.14 1kqb h ALA 115 Ca 0.05 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1kqb h ALA 115 Cb 0.50 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1kqb h ALA 115 CO 0.02 0.45 0.10 0.00 0.00 0.00 0.00 179.25 179.82 1kqb h ALA 116 N 1.41 0.77 -0.42 0.00 0.00 -0.89 0.79 119.26 120.92 1kqb h ALA 116 Ca 0.40 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1kqb h ALA 116 Cb 0.08 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1kqb h ALA 116 CO -0.15 0.51 0.14 -0.97 0.00 0.00 0.00 179.25 178.79 1kqb h ASN 117 N 0.85 0.61 -0.39 0.00 -0.73 -0.56 -0.87 115.58 114.49 1kqb h ASN 117 Ca 0.18 -0.20 -0.03 0.00 1.87 0.00 0.00 56.30 58.12 1kqb h ASN 117 Cb 0.41 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 38.82 1kqb h ASN 117 CO 0.01 0.64 0.13 -0.74 -0.37 0.00 0.00 177.43 177.11 1kqb h HIS 118 N 0.54 0.62 -0.30 0.67 2.76 -0.74 -1.12 115.15 117.58 1kqb h HIS 118 Ca 0.14 -0.06 0.01 0.00 -2.20 0.00 0.00 60.37 58.26 1kqb h HIS 118 Cb 0.25 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 29.00 1kqb h HIS 118 CO 0.01 0.58 0.17 -0.22 -1.30 0.00 0.00 177.93 177.17 1kqb h LYS 119 N 0.49 0.35 -0.44 5.26 3.64 -0.67 -0.52 116.57 124.67 1kqb h LYS 119 Ca 0.13 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1kqb h LYS 119 Cb 0.24 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 1kqb h LYS 119 CO -0.01 0.23 0.20 0.78 -2.27 0.00 0.00 179.45 178.38 1kqb h GLY 120 N 0.36 0.70 1.02 5.01 0.00 -1.00 0.96 103.07 110.11 1kqb h GLY 120 Ca 0.12 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 1kqb h GLY 120 CO -0.06 0.34 0.27 -0.09 0.00 0.00 0.00 176.54 177.00 1kqb h ARG 121 N 0.57 1.03 -0.69 4.80 2.43 -1.01 -2.08 114.38 119.43 1kqb h ARG 121 Ca 0.15 -0.19 -0.07 0.00 -0.81 0.00 0.00 59.98 59.06 1kqb h ARG 121 Cb 0.15 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 1kqb h ARG 121 CO -0.02 0.86 0.15 1.15 -1.51 0.00 0.00 179.97 180.60 1kqb h THR 122 N 0.98 1.26 -0.31 0.20 2.02 -0.84 0.17 112.91 116.39 1kqb h THR 122 Ca 0.23 -0.99 0.04 0.00 0.77 0.00 0.00 66.41 66.45 1kqb h THR 122 Cb 0.22 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 1kqb h THR 122 CO -0.02 0.38 0.10 0.22 0.37 0.00 0.00 175.52 176.57 1kqb h TYR 123 N 1.05 0.18 -0.00 3.16 5.03 -0.37 0.18 116.97 126.19 1kqb h TYR 123 Ca 0.21 0.02 -0.16 0.00 2.58 0.00 0.00 58.73 61.38 1kqb h TYR 123 Cb 0.39 -0.03 -0.02 0.00 1.55 0.00 0.00 36.73 38.62 1kqb h TYR 123 CO 0.03 0.07 -0.75 0.74 -1.32 0.00 0.00 178.16 176.94 1kqb h PHE 124 N 0.23 0.07 -0.52 -3.82 0.04 -1.25 -2.28 116.94 109.41 1kqb h PHE 124 Ca 0.14 -0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.82 1kqb h PHE 124 Cb 0.12 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.24 1kqb h PHE 124 CO -0.14 0.77 0.09 0.00 -0.60 0.00 0.00 178.31 178.43 1kqb h ALA 125 N 1.22 0.68 -0.22 2.45 0.00 -0.50 -2.59 119.26 120.30 1kqb h ALA 125 Ca -0.01 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 1kqb h ALA 125 Cb 1.32 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1kqb h ALA 125 CO 0.10 0.41 -0.14 -0.44 0.00 0.00 0.00 179.25 179.18 1kqb h ASP 126 N 0.73 0.35 -0.98 0.00 3.32 -0.55 0.17 116.42 119.47 1kqb h ASP 126 Ca 0.16 -0.08 0.09 0.00 0.02 0.00 0.00 57.03 57.21 1kqb h ASP 126 Cb 0.38 -0.09 -0.07 0.00 0.22 0.00 0.00 39.33 39.77 1kqb h ASP 126 CO 0.01 0.52 0.63 -0.03 -1.72 0.00 0.00 179.24 178.64 1kqb h MET 127 N 0.34 1.02 0.07 3.56 4.05 -1.01 0.52 114.93 123.49 1kqb h MET 127 Ca 0.07 -0.06 -0.18 0.00 -0.28 0.00 0.00 59.70 59.24 1kqb h MET 127 Cb 0.45 -0.23 -0.00 0.00 -0.80 0.00 0.00 31.60 31.02 1kqb h MET 127 CO 0.03 0.68 -0.90 0.45 0.23 0.00 0.00 176.91 177.39 1kqb h HIS 128 N 1.05 0.28 0.08 1.39 3.86 -1.28 -0.08 115.15 120.45 1kqb h HIS 128 Ca 0.45 -0.21 -0.00 0.00 -1.16 0.00 0.00 60.37 59.45 1kqb h HIS 128 Cb 0.32 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.78 1kqb h HIS 128 CO -0.00 1.35 -0.04 0.00 0.86 0.00 0.00 177.93 180.10 1kqb h ARG 129 N -0.61 -0.10 0.00 2.45 3.08 -0.47 0.38 114.38 119.11 1kqb h ARG 129 Ca -0.20 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.86 1kqb h ARG 129 Cb 1.47 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.54 1kqb h ARG 129 CO 0.02 0.20 -0.31 0.28 -1.07 0.00 0.00 179.97 179.08 1kqb h VAL 130 N -0.39 0.00 0.18 2.04 2.07 -0.17 -3.36 116.25 116.62 1kqb h VAL 130 Ca -0.01 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 1kqb h VAL 130 Cb 0.34 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 1kqb h VAL 130 CO 0.02 0.00 -0.09 0.44 0.02 0.00 0.00 177.57 177.96 1kqb h ASP 131 N -0.94 -0.20 0.96 0.57 3.32 -1.44 -3.36 116.42 115.33 1kqb h ASP 131 Ca 0.00 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 1kqb h ASP 131 Cb 0.31 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 1kqb h ASP 131 CO 0.00 -0.03 -0.31 -0.07 -1.72 0.00 0.00 179.24 177.11 1kqb h LEU 132 N -0.46 0.00 -1.10 1.55 3.38 -1.12 -3.47 115.31 114.09 1kqb h LEU 132 Ca -0.02 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.54 1kqb h LEU 132 Cb 0.18 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.03 1kqb h LEU 132 CO 0.04 0.31 -0.73 0.29 0.09 0.00 0.00 178.44 178.44 1kqb n LYS 133 N -3.43 -6.94 -0.84 1.13 4.76 0.12 -4.90 118.16 108.06 1kqb n LYS 133 Ca 0.00 0.76 0.04 0.00 -2.87 0.00 0.00 58.31 56.24 1kqb n LYS 133 Cb 0.49 -5.73 0.06 0.00 -1.84 0.00 0.00 35.03 28.01 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 -3.00 0.99 0.27 4.39 5.75 -0.11 -4.83 116.55 120.01 1kqb n ASP 134 Ca -0.06 -2.47 0.13 0.00 -0.01 0.00 0.00 54.79 52.39 1kqb n ASP 134 Cb 0.58 -0.32 0.82 0.00 -1.03 0.00 0.00 41.12 41.17 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 0.55 0.00 -0.22 -1.12 2.03 -1.89 0.28 116.42 116.05 1kqb h ASP 135 Ca -0.09 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.17 1kqb h ASP 135 Cb 1.47 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.96 1kqb h ASP 135 CO 0.04 0.00 -0.01 -2.24 -1.03 0.00 0.00 179.24 176.00 1kqb h ASP 136 N 0.00 0.39 0.33 4.15 -0.00 -1.88 -1.23 116.42 118.17 1kqb h ASP 136 Ca 0.02 -0.32 -0.14 0.00 -0.00 0.00 0.00 57.03 56.59 1kqb h ASP 136 Cb 0.08 -0.10 -0.01 0.00 -0.00 0.00 0.00 39.33 39.29 1kqb h ASP 136 CO -0.00 0.62 -0.56 1.56 -0.00 0.00 0.00 179.24 180.86 1kqb h GLN 137 N 0.15 0.25 -0.47 4.15 1.08 -1.71 -1.91 115.11 116.65 1kqb h GLN 137 Ca 0.06 -0.16 -0.03 0.00 -1.45 0.00 0.00 58.65 57.08 1kqb h GLN 137 Cb 0.42 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.85 1kqb h GLN 137 CO 0.01 0.74 0.19 2.35 -0.95 0.00 0.00 178.83 181.18 1kqb h TRP 138 N 0.19 0.71 -0.17 2.96 7.01 -0.84 -1.47 115.95 124.33 1kqb h TRP 138 Ca 0.00 -0.05 -0.18 0.00 2.11 0.00 0.00 58.89 60.77 1kqb h TRP 138 Cb 1.04 -0.21 -0.00 0.00 -2.10 0.00 0.00 29.16 27.89 1kqb h TRP 138 CO 0.02 0.59 -0.62 0.52 -2.79 0.00 0.00 178.44 176.16 1kqb h MET 139 N 0.61 0.61 -0.63 2.65 2.86 -1.15 -2.84 114.93 117.04 1kqb h MET 139 Ca 0.16 -0.42 -0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1kqb h MET 139 Cb 0.18 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 1kqb h MET 139 CO -0.01 1.04 0.38 0.00 1.06 0.00 0.00 176.91 179.37 1kqb h ALA 140 N 0.86 1.49 -0.83 6.32 0.00 -1.17 -1.42 119.26 124.51 1kqb h ALA 140 Ca -0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1kqb h ALA 140 Cb 1.19 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1kqb h ALA 140 CO 0.12 0.44 0.39 0.87 0.00 0.00 0.00 179.25 181.08 1kqb h LYS 141 N 0.86 1.21 -0.22 0.00 1.57 -1.04 -1.88 116.57 117.07 1kqb h LYS 141 Ca 0.23 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 1kqb h LYS 141 Cb -0.04 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 1kqb h LYS 141 CO -0.04 0.93 -0.10 1.96 -0.57 0.00 0.00 179.45 181.63 1kqb h GLN 142 N 1.19 0.34 -0.40 3.15 1.08 -1.10 -2.00 115.11 117.37 1kqb h GLN 142 Ca 0.28 -0.08 -0.15 0.00 -1.45 0.00 0.00 58.65 57.26 1kqb h GLN 142 Cb 0.13 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.51 1kqb h GLN 142 CO -0.03 0.46 -0.33 0.28 -0.95 0.00 0.00 178.83 178.26 1kqb h VAL 143 N 0.33 1.27 -0.31 -0.54 2.07 -0.79 -1.88 116.25 116.41 1kqb h VAL 143 Ca 0.07 -1.50 -0.05 0.00 0.82 0.00 0.00 66.70 66.04 1kqb h VAL 143 Cb 0.39 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1kqb h VAL 143 CO 0.02 0.50 -0.04 1.88 0.02 0.00 0.00 177.57 179.96 1kqb h TYR 144 N 0.75 0.50 -0.72 1.57 -1.99 -0.97 0.05 116.97 116.17 1kqb h TYR 144 Ca 0.07 -0.05 -0.06 0.00 2.00 0.00 0.00 58.73 60.69 1kqb h TYR 144 Cb 0.91 -0.14 -0.03 0.00 2.00 0.00 0.00 36.73 39.47 1kqb h TYR 144 CO 0.06 0.52 0.23 1.25 -0.00 0.00 0.00 178.16 180.22 1kqb h LEU 145 N 0.46 1.04 -0.63 3.88 6.46 -1.10 0.11 115.31 125.54 1kqb h LEU 145 Ca 0.10 -0.19 -0.02 0.00 -0.12 0.00 0.00 57.88 57.64 1kqb h LEU 145 Cb 0.36 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 39.99 1kqb h LEU 145 CO 0.01 0.97 0.30 -1.13 -0.62 0.00 0.00 178.44 177.98 1kqb h ASN 146 N 1.07 0.82 -0.56 1.25 -0.73 -0.39 -1.02 115.58 116.01 1kqb h ASN 146 Ca 0.23 -0.13 0.02 0.00 1.87 0.00 0.00 56.30 58.29 1kqb h ASN 146 Cb 0.30 -0.21 -0.03 0.00 0.27 0.00 0.00 38.32 38.65 1kqb h ASN 146 CO -0.01 0.71 0.35 0.58 -0.37 0.00 0.00 177.43 178.70 1kqb h VAL 147 N 0.86 1.09 -0.63 2.57 2.07 -0.25 0.19 116.25 122.16 1kqb h VAL 147 Ca 0.22 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1kqb h VAL 147 Cb 0.11 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 1kqb h VAL 147 CO -0.03 0.13 0.41 1.23 0.02 0.00 0.00 177.57 179.33 1kqb h GLY 148 N 0.71 0.88 0.95 2.17 0.00 -0.41 0.17 103.07 107.55 1kqb h GLY 148 Ca 0.22 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 1kqb h GLY 148 CO -0.08 0.33 0.18 -0.57 0.00 0.00 0.00 176.54 176.40 1kqb h ASN 149 N 0.85 0.45 -0.01 0.19 -1.24 -0.71 -3.04 115.58 112.07 1kqb h ASN 149 Ca 0.23 -0.11 0.00 0.00 0.71 0.00 0.00 56.30 57.13 1kqb h ASN 149 Cb -0.09 -0.12 -0.00 0.00 0.73 0.00 0.00 38.32 38.85 1kqb h ASN 149 CO -0.05 0.43 0.01 0.15 -1.29 0.00 0.00 177.43 176.68 1kqb h PHE 150 N 0.44 0.02 -0.89 0.67 3.57 -0.05 -1.30 116.94 119.40 1kqb h PHE 150 Ca 0.12 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.66 1kqb h PHE 150 Cb 0.09 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.77 1kqb h PHE 150 CO -0.02 0.04 0.57 -0.07 -2.23 0.00 0.00 178.31 176.59 1kqb h LEU 151 N -0.00 0.94 -0.36 0.59 3.38 -0.98 0.11 115.31 118.98 1kqb h LEU 151 Ca 0.01 -0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.79 1kqb h LEU 151 Cb 0.02 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 1kqb h LEU 151 CO -0.00 0.63 -0.67 0.25 0.09 0.00 0.00 178.44 178.74 1kqb h LEU 152 N 1.09 0.70 -0.27 1.67 5.85 -1.47 -2.31 115.31 120.56 1kqb h LEU 152 Ca 0.36 -0.42 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 1kqb h LEU 152 Cb 0.04 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1kqb h LEU 152 CO -0.13 1.18 0.10 1.23 -0.34 0.00 0.00 178.44 180.47 1kqb h GLY 153 N 0.97 0.45 1.61 3.75 0.00 -0.51 -0.14 103.07 109.20 1kqb h GLY 153 Ca -0.02 -0.25 -0.08 0.00 0.00 0.00 0.00 47.33 46.98 1kqb h GLY 153 CO 0.13 0.24 -0.19 -0.39 0.00 0.00 0.00 176.54 176.32 1kqb h VAL 154 N 0.28 1.24 -0.56 4.60 -1.51 -0.84 -2.04 116.25 117.43 1kqb h VAL 154 Ca 0.09 -1.13 -0.07 0.00 -1.23 0.00 0.00 66.70 64.36 1kqb h VAL 154 Cb 0.21 1.26 -0.02 0.00 -2.13 0.00 0.00 31.29 30.60 1kqb h VAL 154 CO -0.01 0.36 0.06 1.23 -1.23 0.00 0.00 177.57 177.98 1kqb h GLY 155 N 0.97 0.99 2.00 5.19 0.00 -1.10 -1.40 103.07 109.71 1kqb h GLY 155 Ca 0.07 -0.65 0.00 0.00 0.00 0.00 0.00 47.33 46.75 1kqb h GLY 155 CO 0.04 0.60 0.00 0.00 0.00 0.00 0.00 176.54 177.18 1kqb h ALA 156 N 1.20 1.00 -0.01 3.60 0.00 -0.46 -1.71 119.26 122.88 1kqb h ALA 156 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1kqb h ALA 156 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1kqb h ALA 156 CO 0.01 0.00 -0.18 -1.33 0.00 0.00 0.00 179.25 177.76 1kqb n MET 157 N -2.43 0.95 -0.92 0.00 2.81 -0.62 -4.90 117.12 112.00 1kqb n MET 157 Ca 0.02 -0.51 0.00 0.00 -1.81 0.00 0.00 57.70 55.40 1kqb n MET 157 Cb 0.26 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.28 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 1.29 0.50 3.97 3.03 0.00 -0.64 -5.04 105.19 108.31 1kqb n GLY 158 Ca 0.14 -0.37 -0.21 0.00 0.00 0.00 0.00 46.02 45.58 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 4.13 0.08 0.99 1.43 -0.63 -5.03 118.68 119.64 1kqb s LEU 159 Ca 0.00 0.04 0.04 0.00 -1.03 0.00 0.00 54.13 53.18 1kqb s LEU 159 Cb 0.00 -2.90 -0.04 0.00 0.03 0.00 0.00 46.19 43.29 1kqb s LEU 159 CO 0.00 -0.26 0.01 -1.81 0.23 0.00 0.00 176.35 174.53 1kqb s ASP 160 N -4.07 5.13 0.26 2.29 1.01 0.42 -4.07 116.67 117.65 1kqb s ASP 160 Ca 0.39 -0.13 -0.19 0.00 0.71 0.00 0.00 52.55 53.33 1kqb s ASP 160 Cb -0.09 -1.26 0.02 0.00 1.01 0.00 0.00 42.92 42.59 1kqb s ASP 160 CO 0.31 0.18 0.65 0.00 0.21 0.00 0.00 175.17 176.52 1kqb s ALA 161 N -1.31 -1.01 -0.19 5.23 0.00 -1.26 -0.49 121.76 122.73 1kqb s ALA 161 Ca 0.26 -0.39 -0.07 0.00 0.00 0.00 0.00 51.96 51.76 1kqb s ALA 161 Cb -0.12 0.90 0.09 0.00 0.00 0.00 0.00 23.12 23.99 1kqb s ALA 161 CO 0.18 -0.97 0.42 0.54 0.00 0.00 0.00 175.76 175.93 1kqb s VAL 162 N -3.93 -0.54 0.24 0.00 0.11 -1.05 -1.78 120.40 113.45 1kqb s VAL 162 Ca 0.13 0.16 -0.30 0.00 -2.93 0.00 0.00 61.98 59.04 1kqb s VAL 162 Cb -0.04 -0.66 -0.09 0.00 -1.53 0.00 0.00 36.38 34.06 1kqb s VAL 162 CO 0.06 0.07 1.05 -2.16 -3.33 0.00 0.00 175.10 170.78 1kqb s PRO 163 N 2.41 4.69 -0.10 1.54 0.04 -1.26 -3.31 135.00 139.02 1kqb s PRO 163 Ca -0.03 1.68 -0.00 0.00 0.04 0.00 0.00 61.00 62.69 1kqb s PRO 163 Cb -0.11 -3.24 0.02 0.00 0.04 0.00 0.00 34.50 31.21 1kqb s PRO 163 CO -0.13 0.27 -0.07 0.42 0.04 0.00 0.00 177.00 177.53 1kqb s ILE 164 N -0.92 0.90 -0.29 0.56 1.01 0.11 -4.93 121.20 117.65 1kqb s ILE 164 Ca 0.45 -0.23 0.13 0.00 0.00 0.00 0.00 60.65 60.99 1kqb s ILE 164 Cb -0.29 -0.93 -0.17 0.00 0.01 0.00 0.00 42.46 41.07 1kqb s ILE 164 CO 0.37 0.34 0.40 -0.62 0.00 0.00 0.00 174.94 175.43 1kqb n GLU 165 N 4.80 1.56 -1.44 2.79 1.02 -1.26 -1.47 120.64 126.64 1kqb n GLU 165 Ca -0.13 -0.06 -0.40 0.00 -0.02 0.00 0.00 57.16 56.55 1kqb n GLU 165 Cb 0.50 -1.20 -0.02 0.00 -0.02 0.00 0.00 31.44 30.70 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 1.54 3.99 3.25 0.62 0.00 -1.26 -4.82 105.19 108.51 1kqb n GLY 166 Ca -0.00 -1.45 -0.10 0.00 0.00 0.00 0.00 46.02 44.46 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 3.21 -0.03 -0.59 1.61 -0.71 -1.26 -4.74 117.98 115.47 1kqb s PHE 167 Ca 0.54 -0.29 -0.22 0.00 -1.04 0.00 0.00 56.93 55.92 1kqb s PHE 167 Cb 0.15 0.08 0.06 0.00 -1.21 0.00 0.00 43.02 42.10 1kqb s PHE 167 CO -0.05 -0.58 0.88 0.34 -1.34 0.00 0.00 175.22 174.47 1kqb s ASP 168 N -2.62 6.23 0.36 1.98 -1.08 0.84 -4.90 116.67 117.49 1kqb s ASP 168 Ca 0.01 -0.83 0.09 0.00 -0.52 0.00 0.00 52.55 51.30 1kqb s ASP 168 Cb 0.02 -2.39 0.68 0.00 -1.46 0.00 0.00 42.92 39.77 1kqb s ASP 168 CO -0.09 -1.25 1.85 0.00 0.52 0.00 0.00 175.17 176.19 1kqb h ALA 169 N 9.36 1.38 -0.59 3.66 0.00 -1.88 -1.65 119.26 129.54 1kqb h ALA 169 Ca -0.28 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 1kqb h ALA 169 Cb 1.08 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1kqb h ALA 169 CO 1.11 0.43 0.33 0.00 0.00 0.00 0.00 179.25 181.12 1kqb h ALA 170 N 1.56 0.75 -0.37 0.00 0.00 -1.93 0.40 119.26 119.67 1kqb h ALA 170 Ca 0.04 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1kqb h ALA 170 Cb 0.51 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1kqb h ALA 170 CO 0.03 0.26 -0.03 0.82 0.00 0.00 0.00 179.25 180.33 1kqb h ILE 171 N 0.79 1.27 -0.47 0.00 2.04 -1.87 -2.01 117.51 117.27 1kqb h ILE 171 Ca 0.21 -1.06 -0.05 0.00 1.00 0.00 0.00 64.86 64.95 1kqb h ILE 171 Cb 0.02 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 1kqb h ILE 171 CO -0.04 0.35 0.08 0.25 0.00 0.00 0.00 178.15 178.80 1kqb h LEU 172 N 0.48 0.74 -0.22 1.44 5.85 -0.97 -0.81 115.31 121.82 1kqb h LEU 172 Ca 0.10 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.58 1kqb h LEU 172 Cb 0.52 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1kqb h LEU 172 CO 0.03 0.81 0.10 0.44 -0.34 0.00 0.00 178.44 179.47 1kqb h ASP 173 N 0.64 0.15 -0.44 1.25 5.19 -0.15 -2.45 116.42 120.60 1kqb h ASP 173 Ca 0.14 0.01 0.01 0.00 -0.62 0.00 0.00 57.03 56.57 1kqb h ASP 173 Cb 0.38 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 39.85 1kqb h ASP 173 CO 0.01 0.12 0.29 -0.33 -3.12 0.00 0.00 179.24 176.20 1kqb h GLU 174 N 0.23 0.57 -0.36 3.56 5.08 -1.19 0.85 114.58 123.32 1kqb h GLU 174 Ca 0.09 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.47 1kqb h GLU 174 Cb 0.03 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1kqb h GLU 174 CO -0.07 0.38 0.25 1.49 -1.00 0.00 0.00 179.01 180.05 1kqb h GLU 175 N 0.59 0.28 -0.28 2.33 4.57 -0.86 -2.60 114.58 118.61 1kqb h GLU 175 Ca 0.16 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 1kqb h GLU 175 Cb -0.06 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.47 1kqb h GLU 175 CO -0.04 0.18 0.00 1.19 -1.18 0.00 0.00 179.01 179.17 1kqb n PHE 176 N -4.48 0.48 -3.81 0.92 3.72 -0.95 -4.98 117.46 108.35 1kqb n PHE 176 Ca 0.04 -0.58 -0.30 0.00 -0.05 0.00 0.00 57.45 56.56 1kqb n PHE 176 Cb 0.22 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 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 0.13 -0.48 0.30 1.37 0.00 0.20 -4.86 105.19 101.85 1kqb n GLY 177 Ca 0.12 0.14 -0.07 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.52 0.91 -0.42 0.99 3.38 -1.56 -3.01 115.31 114.08 1kqb h LEU 178 Ca -0.53 -0.24 0.09 0.00 0.09 0.00 0.00 57.88 57.28 1kqb h LEU 178 Cb 1.35 -0.24 -0.09 0.00 0.09 0.00 0.00 40.66 41.77 1kqb h LEU 178 CO 0.66 0.97 -0.15 0.50 0.09 0.00 0.00 178.44 180.51 1kqb h LYS 179 N 0.87 -0.06 0.00 1.13 3.11 -1.75 0.96 116.57 120.83 1kqb h LYS 179 Ca 0.16 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.98 1kqb h LYS 179 Cb 0.51 0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 31.75 1kqb h LYS 179 CO 0.02 -0.04 -0.11 0.93 -2.81 0.00 0.00 179.45 177.44 1kqb h GLU 180 N -0.06 0.00 -0.01 1.90 3.07 -1.87 -2.31 114.58 115.30 1kqb h GLU 180 Ca 0.21 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.07 1kqb h GLU 180 Cb 0.38 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.29 1kqb h GLU 180 CO -0.47 0.11 -0.28 1.63 -1.40 0.00 0.00 179.01 178.60 1kqb n LYS 181 N -3.34 0.78 -1.15 2.33 5.02 0.13 -4.94 118.16 116.99 1kqb n LYS 181 Ca -0.00 -0.46 0.00 0.00 -2.02 0.00 0.00 58.31 55.82 1kqb n LYS 181 Cb 0.31 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 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 1.35 0.77 3.26 0.72 0.00 -0.07 -5.03 105.19 106.20 1kqb n GLY 182 Ca 0.12 -0.66 -0.14 0.00 0.00 0.00 0.00 46.02 45.33 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 1.28 -0.08 1.61 0.08 -0.10 -1.07 117.98 117.70 1kqb s PHE 183 Ca 0.00 -0.94 -0.06 0.00 0.12 0.00 0.00 56.93 56.05 1kqb s PHE 183 Cb 0.00 -0.72 0.02 0.00 -0.57 0.00 0.00 43.02 41.75 1kqb s PHE 183 CO 0.00 -0.11 0.20 -0.08 -0.10 0.00 0.00 175.22 175.13 1kqb s THR 184 N -3.53 -0.01 0.23 0.64 -1.32 -0.33 -3.20 115.64 108.11 1kqb s THR 184 Ca 0.23 0.03 -0.30 0.00 -1.21 0.00 0.00 61.69 60.44 1kqb s THR 184 Cb 0.05 -0.29 -0.09 0.00 -1.51 0.00 0.00 72.50 70.67 1kqb s THR 184 CO 0.04 0.01 1.04 -0.94 -2.21 0.00 0.00 174.62 172.56 1kqb s SER 185 N 0.29 7.41 0.00 8.08 1.04 -1.26 -1.35 113.70 127.91 1kqb s SER 185 Ca -0.02 2.08 0.00 0.00 0.48 0.00 0.00 55.95 58.50 1kqb s SER 185 Cb -0.03 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.48 1kqb s SER 185 CO -0.01 -0.06 0.00 0.18 0.98 0.00 0.00 173.24 174.33 1kqb n LEU 186 N 1.72 1.04 -3.86 2.42 4.77 -0.01 -4.85 117.00 118.23 1kqb n LEU 186 Ca -0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 1kqb n LEU 186 Cb 0.46 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.41 1kqb n LEU 186 CO 0.52 0.17 -0.36 -0.69 -1.33 0.00 0.00 177.39 175.70 1kqb s VAL 187 N -2.00 0.03 -0.15 4.08 1.01 -1.18 -4.77 120.40 117.42 1kqb s VAL 187 Ca 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.96 1kqb s VAL 187 Cb 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 36.38 36.31 1kqb s VAL 187 CO 0.00 0.02 -0.05 -0.69 0.00 0.00 0.00 175.10 174.38 1kqb s VAL 188 N 0.12 3.79 -0.36 2.92 1.01 -0.54 -0.07 120.40 127.27 1kqb s VAL 188 Ca -0.01 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.58 1kqb s VAL 188 Cb -0.02 -2.65 0.11 0.00 0.00 0.00 0.00 36.38 33.82 1kqb s VAL 188 CO -0.00 0.50 0.13 -0.69 0.00 0.00 0.00 175.10 175.04 1kqb s VAL 189 N 0.30 1.38 0.29 2.92 1.01 0.17 0.07 120.40 126.54 1kqb s VAL 189 Ca -0.04 -1.99 -0.29 0.00 0.00 0.00 0.00 61.98 59.66 1kqb s VAL 189 Cb -0.14 -2.01 -0.10 0.00 0.00 0.00 0.00 36.38 34.13 1kqb s VAL 189 CO 0.03 -0.73 1.15 -2.84 0.00 0.00 0.00 175.10 172.72 1kqb s PRO 190 N 1.05 4.56 0.03 2.72 0.02 -1.21 -1.20 135.00 140.97 1kqb s PRO 190 Ca 0.12 1.91 0.05 0.00 0.02 0.00 0.00 61.00 63.10 1kqb s PRO 190 Cb -0.20 -3.16 -0.02 0.00 0.02 0.00 0.00 34.50 31.14 1kqb s PRO 190 CO -0.14 0.10 -0.14 0.08 -0.33 0.00 0.00 177.00 176.58 1kqb s VAL 191 N -1.12 1.08 0.00 3.83 1.01 0.25 -2.51 120.40 122.94 1kqb s VAL 191 Ca 0.46 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1kqb s VAL 191 Cb -0.34 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.08 1kqb s VAL 191 CO 0.44 0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1kqb n GLY 192 N 2.12 -0.64 3.01 4.51 0.00 0.35 -1.09 105.19 113.46 1kqb n GLY 192 Ca -0.17 -0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.19 1.39 0.56 1.61 3.76 -1.26 -0.44 115.29 118.73 1kqb s HIS 193 Ca 0.00 -0.50 -0.19 0.00 -0.15 0.00 0.00 55.06 54.22 1kqb s HIS 193 Cb 0.00 -1.03 -0.05 0.00 1.11 0.00 0.00 32.58 32.61 1kqb s HIS 193 CO 0.00 -0.26 1.15 -3.38 -0.85 0.00 0.00 174.74 171.40 1kqb s HIS 194 N 0.66 2.58 0.73 1.40 -3.43 -1.26 -0.51 115.29 115.46 1kqb s HIS 194 Ca -0.14 1.54 -0.05 0.00 -0.80 0.00 0.00 55.06 55.61 1kqb s HIS 194 Cb -0.16 -3.34 0.10 0.00 -1.43 0.00 0.00 32.58 27.75 1kqb s HIS 194 CO 0.03 -1.77 1.02 -1.54 -2.00 0.00 0.00 174.74 170.48 1kqb s SER 195 N -1.75 4.45 0.53 7.38 1.04 -0.58 -4.43 113.70 120.35 1kqb s SER 195 Ca 0.74 0.09 0.28 0.00 0.48 0.00 0.00 55.95 57.53 1kqb s SER 195 Cb -0.26 -0.58 1.46 0.00 0.10 0.00 0.00 66.02 66.74 1kqb s SER 195 CO 0.29 -1.80 2.07 0.58 0.98 0.00 0.00 173.24 175.36 1kqb h VAL 196 N -0.65 0.54 -0.00 5.02 2.07 -1.96 -2.05 116.25 119.22 1kqb h VAL 196 Ca -0.41 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 66.58 1kqb h VAL 196 Cb 1.28 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 1kqb h VAL 196 CO 0.49 0.11 -0.01 -0.62 0.02 0.00 0.00 177.57 177.56 1kqb n GLU 197 N -3.62 0.43 -2.17 1.57 4.71 -1.26 -4.63 120.64 115.66 1kqb n GLU 197 Ca -0.02 -0.01 -0.31 0.00 -0.01 0.00 0.00 57.16 56.81 1kqb n GLU 197 Cb 0.24 -1.50 -0.05 0.00 -1.01 0.00 0.00 31.44 29.12 1kqb n GLU 197 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1kqb s ASP 198 N -2.58 5.44 0.56 1.62 2.15 -0.77 -4.76 116.67 118.33 1kqb s ASP 198 Ca 0.28 -1.33 0.25 0.00 0.43 0.00 0.00 52.55 52.18 1kqb s ASP 198 Cb 0.20 -2.57 1.57 0.00 -0.30 0.00 0.00 42.92 41.82 1kqb s ASP 198 CO 0.47 -2.56 2.15 2.19 -0.17 0.00 0.00 175.17 177.24 1kqb h PHE 199 N 10.12 0.00 0.00 -5.34 -0.00 -1.88 -1.69 116.94 118.15 1kqb h PHE 199 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.16 1kqb h PHE 199 Cb 0.97 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.92 1kqb h PHE 199 CO 1.25 0.00 0.00 -1.71 -0.00 0.00 0.00 178.31 177.85 1kqb n ASN 200 N -4.08 0.00 0.19 -0.68 5.15 -1.26 -2.65 115.26 111.94 1kqb n ASN 200 Ca 0.00 0.49 0.06 0.00 -0.60 0.00 0.00 54.58 54.53 1kqb n ASN 200 Cb 0.23 -0.50 0.35 0.00 -0.53 0.00 0.00 39.78 39.33 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 2.62 1.02 0.00 5.20 0.00 -1.63 -3.28 119.26 123.18 1kqb h ALA 201 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1kqb h ALA 201 Cb 0.31 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1kqb h ALA 201 CO 0.00 0.46 -1.08 0.25 0.00 0.00 0.00 179.25 178.88 1kqb n THR 202 N -3.56 0.00 -2.29 0.00 -2.24 -1.08 -4.99 114.28 100.12 1kqb n THR 202 Ca -0.00 -0.24 -0.40 0.00 -2.27 0.00 0.00 64.05 61.13 1kqb n THR 202 Cb 0.50 0.64 -0.03 0.00 -2.10 0.00 0.00 70.33 69.33 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 -3.23 4.49 0.58 3.22 1.43 -1.19 -4.98 118.68 119.01 1kqb s LEU 203 Ca 0.01 2.49 -0.20 0.00 -1.03 0.00 0.00 54.13 55.40 1kqb s LEU 203 Cb 0.10 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.64 1kqb s LEU 203 CO 0.57 -0.34 1.26 -2.16 0.23 0.00 0.00 176.35 175.91 1kqb s PRO 204 N -1.63 2.98 0.35 1.29 0.04 -1.26 -4.98 135.00 131.80 1kqb s PRO 204 Ca 0.47 1.97 -0.26 0.00 0.04 0.00 0.00 61.00 63.22 1kqb s PRO 204 Cb -0.36 -2.02 -0.09 0.00 0.04 0.00 0.00 34.50 32.07 1kqb s PRO 204 CO 0.47 -1.24 1.04 0.15 0.04 0.00 0.00 177.00 177.46 1kqb s LYS 205 N -3.19 4.37 -0.09 4.56 1.02 -1.26 -5.05 119.74 120.10 1kqb s LYS 205 Ca 0.76 1.54 0.01 0.00 0.02 0.00 0.00 55.97 58.30 1kqb s LYS 205 Cb -0.34 -2.75 0.02 0.00 -0.52 0.00 0.00 37.83 34.23 1kqb s LYS 205 CO 0.38 0.04 -0.12 0.45 -0.92 0.00 0.00 175.35 175.18 1kqb s SER 206 N -1.42 2.07 0.03 2.83 0.15 -1.26 -5.12 113.70 110.97 1kqb s SER 206 Ca 0.53 -0.34 -0.05 0.00 0.70 0.00 0.00 55.95 56.79 1kqb s SER 206 Cb -0.24 -0.91 -0.01 0.00 -1.71 0.00 0.00 66.02 63.15 1kqb s SER 206 CO 0.30 -0.01 0.08 -0.13 1.20 0.00 0.00 173.24 174.68 1kqb s ARG 207 N 0.99 0.54 0.71 5.44 1.81 -1.26 -5.15 118.95 122.04 1kqb s ARG 207 Ca -0.08 -0.69 -0.15 0.00 -1.72 0.00 0.00 55.73 53.09 1kqb s ARG 207 Cb -0.15 0.21 0.03 0.00 -0.45 0.00 0.00 34.95 34.59 1kqb s ARG 207 CO -0.01 -0.13 1.16 -0.51 -0.68 0.00 0.00 175.30 175.13 1kqb s LEU 208 N -1.95 3.31 0.61 2.53 1.43 -1.26 -4.97 118.68 118.38 1kqb s LEU 208 Ca -0.08 2.17 -0.17 0.00 -1.03 0.00 0.00 54.13 55.03 1kqb s LEU 208 Cb -0.03 -4.57 -0.02 0.00 0.03 0.00 0.00 46.19 41.60 1kqb s LEU 208 CO -0.03 -2.03 1.13 -2.16 0.23 0.00 0.00 176.35 173.49 1kqb s PRO 209 N -4.07 2.98 0.46 1.29 0.04 -1.26 -4.88 135.00 129.57 1kqb s PRO 209 Ca 0.70 1.54 0.13 0.00 0.04 0.00 0.00 61.00 63.42 1kqb s PRO 209 Cb -0.25 -1.96 1.08 0.00 0.04 0.00 0.00 34.50 33.41 1kqb s PRO 209 CO 0.45 -1.13 2.05 -0.07 0.04 0.00 0.00 177.00 178.34 1kqb h LEU 210 N 0.53 0.26 -2.58 -3.56 3.38 -1.96 -1.06 115.31 110.33 1kqb h LEU 210 Ca -0.48 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.48 1kqb h LEU 210 Cb 1.26 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 1kqb h LEU 210 CO 0.55 0.18 -0.01 0.77 0.09 0.00 0.00 178.44 180.02 1kqb h SER 211 N 0.30 0.00 0.02 -0.43 4.64 -1.92 -0.35 113.55 115.81 1kqb h SER 211 Ca 0.16 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.17 1kqb h SER 211 Cb 0.26 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.31 1kqb h SER 211 CO -0.03 0.01 -1.72 0.41 -0.87 0.00 0.00 176.83 174.62 1kqb n THR 212 N -3.59 1.57 0.35 2.95 -1.04 -0.44 -4.62 114.28 109.46 1kqb n THR 212 Ca -0.03 -0.22 0.12 0.00 -2.04 0.00 0.00 64.05 61.88 1kqb n THR 212 Cb 0.09 -1.93 0.17 0.00 -1.82 0.00 0.00 70.33 66.83 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 -0.80 0.00 -4.32 12.58 3.07 -1.35 -3.47 117.51 123.23 1kqb h ILE 213 Ca -0.45 -0.78 -0.69 0.00 1.55 0.00 0.00 64.86 64.48 1kqb h ILE 213 Cb 1.51 1.53 -0.28 0.00 -0.27 0.00 0.00 36.82 39.31 1kqb h ILE 213 CO -0.21 0.00 -0.85 -0.69 -1.05 0.00 0.00 178.15 175.34 1kqb s VAL 214 N -3.22 2.36 -0.15 0.16 1.01 -0.15 -5.07 120.40 115.32 1kqb s VAL 214 Ca 0.05 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.05 1kqb s VAL 214 Cb 0.10 -1.86 0.02 0.00 0.00 0.00 0.00 36.38 34.64 1kqb s VAL 214 CO 0.70 0.58 -0.14 -0.89 0.00 0.00 0.00 175.10 175.35 1kqb s THR 215 N -0.55 1.59 -0.12 3.92 2.01 -1.26 -4.72 115.64 116.52 1kqb s THR 215 Ca 0.08 -0.68 -0.11 0.00 0.31 0.00 0.00 61.69 61.28 1kqb s THR 215 Cb -0.11 -1.51 -0.05 0.00 0.01 0.00 0.00 72.50 70.84 1kqb s THR 215 CO 0.00 0.43 0.24 -1.61 -0.69 0.00 0.00 174.62 172.99 1kqb s GLU 216 N 1.47 3.91 0.00 4.92 2.02 -1.26 -5.25 118.70 124.51 1kqb s GLU 216 Ca 0.04 0.04 0.00 0.00 0.02 0.00 0.00 54.97 55.07 1kqb s GLU 216 Cb -0.13 -3.31 0.00 0.00 0.10 0.00 0.00 34.13 30.79 1kqb s GLU 216 CO -0.11 0.51 0.00 0.00 0.02 0.00 0.00 175.26 175.69