#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xk0 n GLN 11 N 0.00 0.00 -1.70 -0.52 7.27 -1.26 -4.57 117.38 116.60 1xk0 n GLN 11 Ca 0.00 0.24 -0.40 0.00 0.07 0.00 0.00 57.00 56.91 1xk0 n GLN 11 Cb 0.00 -1.06 0.03 0.00 2.41 0.00 0.00 30.24 31.62 1xk0 n GLN 11 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1xk0 n ASP 12 N -1.22 2.34 -0.20 1.69 8.00 -1.26 -4.83 116.55 121.07 1xk0 n ASP 12 Ca 0.00 1.03 -0.04 0.00 0.71 0.00 0.00 54.79 56.49 1xk0 n ASP 12 Cb 0.00 -1.50 0.06 0.00 -0.02 0.00 0.00 41.12 39.65 1xk0 n ASP 12 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1xk0 h LEU 13 N 1.70 0.56 -1.47 0.64 5.85 -1.88 -1.35 115.31 119.37 1xk0 h LEU 13 Ca -0.49 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.32 1xk0 h LEU 13 Cb 1.31 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.18 1xk0 h LEU 13 CO 0.58 0.39 0.45 0.77 -0.34 0.00 0.00 178.44 180.29 1xk0 h SER 14 N 0.68 0.55 -0.11 1.25 4.64 -1.89 0.36 113.55 119.03 1xk0 h SER 14 Ca 0.24 0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.52 1xk0 h SER 14 Cb 0.04 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1xk0 h SER 14 CO -0.11 0.34 -0.10 -0.33 -0.87 0.00 0.00 176.83 175.76 1xk0 h GLU 15 N 0.61 0.26 0.24 4.77 4.39 -1.67 -2.68 114.58 120.50 1xk0 h GLU 15 Ca 0.31 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.86 1xk0 h GLU 15 Cb 0.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1xk0 h GLU 15 CO -0.10 0.66 -0.11 0.00 -1.16 0.00 0.00 179.01 178.30 1xk0 h ALA 16 N 0.59 -0.32 -0.91 3.43 0.00 -0.21 -2.54 119.26 119.31 1xk0 h ALA 16 Ca 0.02 -0.08 0.17 0.00 0.00 0.00 0.00 54.91 55.02 1xk0 h ALA 16 Cb 0.61 0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.42 1xk0 h ALA 16 CO 0.03 -0.67 0.48 -0.07 0.00 0.00 0.00 179.25 179.02 1xk0 h LEU 17 N -0.35 0.57 0.58 0.00 3.38 -0.40 0.17 115.31 119.26 1xk0 h LEU 17 Ca -0.03 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1xk0 h LEU 17 Cb 0.27 0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.04 1xk0 h LEU 17 CO 0.05 0.19 -0.28 0.50 0.09 0.00 0.00 178.44 179.00 1xk0 h LYS 18 N 0.62 -0.75 -0.22 1.13 3.64 -1.15 -2.09 116.57 117.75 1xk0 h LYS 18 Ca 0.52 0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.86 1xk0 h LYS 18 Cb 0.81 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.79 1xk0 h LYS 18 CO -0.40 -0.49 -0.23 0.93 -2.27 0.00 0.00 179.45 176.99 1xk0 h GLU 19 N -0.81 0.41 0.00 1.90 5.08 -1.02 -2.56 114.58 117.58 1xk0 h GLU 19 Ca -0.08 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.05 1xk0 h GLU 19 Cb 0.61 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1xk0 h GLU 19 CO 0.13 0.62 -0.42 0.00 -1.00 0.00 0.00 179.01 178.34 1xk0 h ALA 20 N 1.39 1.24 -0.40 3.43 0.00 -0.60 -3.07 119.26 121.25 1xk0 h ALA 20 Ca 0.06 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1xk0 h ALA 20 Cb 0.61 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1xk0 h ALA 20 CO 0.04 0.53 0.00 0.25 0.00 0.00 0.00 179.25 180.07 1xk0 n THR 21 N -3.95 1.88 -0.19 0.00 -2.24 -0.79 -4.64 114.28 104.35 1xk0 n THR 21 Ca -0.02 -1.45 -0.04 0.00 -2.27 0.00 0.00 64.05 60.28 1xk0 n THR 21 Cb 0.46 0.03 0.06 0.00 -2.10 0.00 0.00 70.33 68.79 1xk0 n THR 21 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1xk0 h LYS 22 N 2.59 0.55 -0.19 -0.78 1.63 -1.36 -1.13 116.57 117.87 1xk0 h LYS 22 Ca 0.00 -0.03 -0.14 0.00 -0.85 0.00 0.00 60.65 59.63 1xk0 h LYS 22 Cb 1.31 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.81 1xk0 h LYS 22 CO 0.19 0.36 -0.42 1.05 -3.45 0.00 0.00 179.45 177.18 1xk0 h GLU 23 N 0.57 0.63 -0.33 1.90 9.09 -1.83 -2.81 114.58 121.80 1xk0 h GLU 23 Ca 0.24 -0.42 -0.10 0.00 0.05 0.00 0.00 59.36 59.13 1xk0 h GLU 23 Cb 0.13 0.06 -0.01 0.00 -1.65 0.00 0.00 28.75 27.28 1xk0 h GLU 23 CO -0.16 1.04 -0.22 -0.39 0.05 0.00 0.00 179.01 179.33 1xk0 h VAL 24 N 0.31 1.27 -0.43 -1.06 -1.51 -1.86 -2.19 116.25 110.78 1xk0 h VAL 24 Ca 0.00 -1.28 0.02 0.00 -1.23 0.00 0.00 66.70 64.21 1xk0 h VAL 24 Cb 1.03 1.25 -0.03 0.00 -2.13 0.00 0.00 31.29 31.42 1xk0 h VAL 24 CO 0.09 0.42 0.26 -0.74 -1.23 0.00 0.00 177.57 176.37 1xk0 h HIS 25 N 0.56 0.49 -0.71 5.19 -0.00 -1.23 0.10 115.15 119.56 1xk0 h HIS 25 Ca 0.08 0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.52 1xk0 h HIS 25 Cb 0.68 -0.16 -0.05 0.00 -0.00 0.00 0.00 27.41 27.88 1xk0 h HIS 25 CO 0.03 0.29 0.42 1.15 -0.00 0.00 0.00 177.93 179.82 1xk0 h THR 26 N 0.53 1.02 -0.63 6.26 2.02 -1.21 0.67 112.91 121.57 1xk0 h THR 26 Ca 0.17 -0.27 -0.07 0.00 0.77 0.00 0.00 66.41 67.00 1xk0 h THR 26 Cb -0.01 0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 66.54 1xk0 h THR 26 CO -0.07 0.14 0.10 1.56 0.37 0.00 0.00 175.52 177.62 1xk0 h GLN 27 N 0.79 1.02 -0.12 6.66 4.20 -0.75 -1.69 115.11 125.22 1xk0 h GLN 27 Ca 0.30 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1xk0 h GLN 27 Cb 0.13 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1xk0 h GLN 27 CO -0.15 0.94 0.08 0.00 -0.67 0.00 0.00 178.83 179.03 1xk0 h ALA 28 N 1.14 0.15 0.32 3.87 0.00 0.24 -1.17 119.26 123.81 1xk0 h ALA 28 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1xk0 h ALA 28 Cb 0.42 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1xk0 h ALA 28 CO 0.01 -0.35 -0.34 0.93 0.00 0.00 0.00 179.25 179.51 1xk0 h GLU 29 N 0.15 -0.67 0.00 0.00 5.08 -0.68 -2.83 114.58 115.63 1xk0 h GLU 29 Ca 0.04 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1xk0 h GLU 29 Cb 0.00 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1xk0 h GLU 29 CO -0.01 -0.44 0.00 0.09 -1.00 0.00 0.00 179.01 177.65 1xk0 n ASN 30 N -5.45 0.00 -4.73 1.42 3.02 -0.66 -3.55 115.26 105.32 1xk0 n ASN 30 Ca -0.09 -1.25 -0.42 0.00 -0.03 0.00 0.00 54.58 52.79 1xk0 n ASN 30 Cb 0.35 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.50 1xk0 n ASN 30 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xk0 s ALA 31 N -2.00 3.81 0.30 5.41 0.00 -0.45 -4.66 121.76 124.16 1xk0 s ALA 31 Ca 0.17 1.50 0.01 0.00 0.00 0.00 0.00 51.96 53.65 1xk0 s ALA 31 Cb 0.08 -3.65 0.71 0.00 0.00 0.00 0.00 23.12 20.27 1xk0 s ALA 31 CO 0.13 -0.89 1.60 1.49 0.00 0.00 0.00 175.76 178.09 1xk0 h GLU 32 N 6.02 0.06 -0.16 0.00 4.81 -1.90 0.91 114.58 124.32 1xk0 h GLU 32 Ca -0.44 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1xk0 h GLU 32 Cb 1.21 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 1xk0 h GLU 32 CO 0.88 0.04 0.10 0.35 -0.73 0.00 0.00 179.01 179.65 1xk0 h PHE 33 N 0.06 0.21 -0.44 0.92 3.57 -1.89 0.16 116.94 119.53 1xk0 h PHE 33 Ca 0.57 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.97 1xk0 h PHE 33 Cb 1.16 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.81 1xk0 h PHE 33 CO -0.43 0.16 -0.12 0.52 -2.23 0.00 0.00 178.31 176.22 1xk0 h MET 34 N 0.19 0.80 -0.78 1.11 2.86 -1.04 -1.33 114.93 116.75 1xk0 h MET 34 Ca 0.06 -0.27 -0.02 0.00 -2.06 0.00 0.00 59.70 57.41 1xk0 h MET 34 Cb 0.01 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.57 1xk0 h MET 34 CO -0.01 0.88 0.43 0.00 1.06 0.00 0.00 176.91 179.27 1xk0 h ARG 35 N 0.73 1.08 -0.05 1.72 2.47 0.12 0.22 114.38 120.67 1xk0 h ARG 35 Ca 0.12 -0.12 -0.23 0.00 -1.26 0.00 0.00 59.98 58.49 1xk0 h ARG 35 Cb 0.61 -0.22 0.01 0.00 -1.65 0.00 0.00 29.97 28.72 1xk0 h ARG 35 CO 0.04 0.80 -0.88 -0.91 0.56 0.00 0.00 179.97 179.58 1xk0 h ASN 36 N 1.09 0.71 -0.17 7.04 -0.26 -0.45 -2.81 115.58 120.73 1xk0 h ASN 36 Ca 0.28 -0.52 -0.01 0.00 -0.56 0.00 0.00 56.30 55.48 1xk0 h ASN 36 Cb 0.03 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.07 1xk0 h ASN 36 CO -0.04 1.30 0.05 0.15 -1.06 0.00 0.00 177.43 177.83 1xk0 h PHE 37 N 0.35 0.28 -0.10 1.19 3.04 -0.86 0.67 116.94 121.52 1xk0 h PHE 37 Ca -0.07 -0.03 0.04 0.00 3.98 0.00 0.00 57.97 61.89 1xk0 h PHE 37 Cb 1.50 -0.08 -0.06 0.00 2.56 0.00 0.00 35.95 39.87 1xk0 h PHE 37 CO 0.07 0.38 -0.39 1.96 -2.02 0.00 0.00 178.31 178.31 1xk0 h GLN 38 N 0.10 -0.47 -0.06 1.11 4.20 -0.58 -2.34 115.11 117.07 1xk0 h GLN 38 Ca 0.06 0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 1xk0 h GLN 38 Cb 0.23 0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 1xk0 h GLN 38 CO -0.00 -0.31 0.04 0.87 -0.67 0.00 0.00 178.83 178.75 1xk0 h LYS 39 N -0.49 0.08 0.00 1.46 1.57 -1.42 -3.47 116.57 114.31 1xk0 h LYS 39 Ca 0.07 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1xk0 h LYS 39 Cb 0.61 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1xk0 h LYS 39 CO -0.36 0.10 0.00 0.41 -0.57 0.00 0.00 179.45 179.03 1xk0 n GLY 40 N -0.98 0.08 0.99 3.86 0.00 0.88 -5.02 105.19 105.01 1xk0 n GLY 40 Ca -0.06 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.94 1xk0 n GLY 40 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1xk0 n GLN 41 N 0.00 1.35 -3.46 1.61 7.27 0.20 -4.77 117.38 119.57 1xk0 n GLN 41 Ca 0.00 -0.45 -0.38 0.00 0.07 0.00 0.00 57.00 56.23 1xk0 n GLN 41 Cb 0.00 -1.35 -0.06 0.00 2.41 0.00 0.00 30.24 31.24 1xk0 n GLN 41 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1xk0 s VAL 42 N -0.80 4.99 0.53 1.69 0.11 -1.24 -4.81 120.40 120.87 1xk0 s VAL 42 Ca 0.08 0.90 0.08 0.00 -2.93 0.00 0.00 61.98 60.11 1xk0 s VAL 42 Cb 0.07 -3.74 0.06 0.00 -1.53 0.00 0.00 36.38 31.23 1xk0 s VAL 42 CO 0.02 0.57 0.63 0.42 -3.33 0.00 0.00 175.10 173.40 1xk0 s THR 43 N -1.03 2.17 0.16 5.04 -4.23 -1.26 -4.61 115.64 111.88 1xk0 s THR 43 Ca 0.24 -1.16 -0.12 0.00 -1.18 0.00 0.00 61.69 59.47 1xk0 s THR 43 Cb -0.17 -2.33 0.05 0.00 1.34 0.00 0.00 72.50 71.39 1xk0 s THR 43 CO 0.14 0.00 1.68 0.03 -0.54 0.00 0.00 174.62 175.93 1xk0 h ARG 44 N 0.46 0.85 -0.59 3.99 3.08 -1.94 0.20 114.38 120.43 1xk0 h ARG 44 Ca -0.34 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 59.49 1xk0 h ARG 44 Cb 1.29 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 31.19 1xk0 h ARG 44 CO 0.47 0.79 0.24 -0.44 -1.07 0.00 0.00 179.97 179.95 1xk0 h ASP 45 N 0.76 0.78 -0.14 7.04 3.32 -1.98 0.32 116.42 126.51 1xk0 h ASP 45 Ca 0.17 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.08 1xk0 h ASP 45 Cb 0.29 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 1xk0 h ASP 45 CO -0.00 0.70 -0.09 1.23 -1.72 0.00 0.00 179.24 179.35 1xk0 h GLY 46 N 0.96 0.34 1.00 2.75 0.00 -1.83 -1.98 103.07 104.31 1xk0 h GLY 46 Ca 0.20 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1xk0 h GLY 46 CO -0.02 0.29 0.33 -2.75 0.00 0.00 0.00 176.54 174.39 1xk0 h PHE 47 N -0.04 0.64 -0.43 5.60 3.57 -0.21 -0.51 116.94 125.55 1xk0 h PHE 47 Ca 0.03 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1xk0 h PHE 47 Cb 0.58 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 1xk0 h PHE 47 CO 0.07 0.41 0.29 0.87 -2.23 0.00 0.00 178.31 177.72 1xk0 h LYS 48 N 0.68 0.57 -0.00 1.11 1.57 -0.34 0.15 116.57 120.30 1xk0 h LYS 48 Ca 0.18 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.79 1xk0 h LYS 48 Cb -0.07 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 1xk0 h LYS 48 CO -0.04 0.38 -0.67 -0.07 -0.57 0.00 0.00 179.45 178.47 1xk0 h LEU 49 N 0.58 0.02 -0.18 2.94 3.38 -0.59 -0.88 115.31 120.60 1xk0 h LEU 49 Ca 0.16 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 1xk0 h LEU 49 Cb -0.06 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1xk0 h LEU 49 CO -0.03 0.69 -0.10 0.58 0.09 0.00 0.00 178.44 179.67 1xk0 h VAL 50 N 0.01 1.31 -0.37 1.22 2.07 0.64 -1.77 116.25 119.36 1xk0 h VAL 50 Ca -0.01 -1.17 -0.07 0.00 0.82 0.00 0.00 66.70 66.28 1xk0 h VAL 50 Cb 1.19 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.65 1xk0 h VAL 50 CO 0.09 0.35 -0.04 0.24 0.02 0.00 0.00 177.57 178.23 1xk0 h MET 51 N 0.06 0.69 -1.00 1.57 2.86 -0.75 -1.53 114.93 116.82 1xk0 h MET 51 Ca 0.04 -0.24 0.02 0.00 -2.06 0.00 0.00 59.70 57.46 1xk0 h MET 51 Cb 0.59 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.14 1xk0 h MET 51 CO 0.03 0.81 0.66 0.00 1.06 0.00 0.00 176.91 179.47 1xk0 h ALA 52 N 0.85 1.28 0.46 6.32 0.00 -1.16 -0.54 119.26 126.47 1xk0 h ALA 52 Ca 0.10 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1xk0 h ALA 52 Cb 0.52 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1xk0 h ALA 52 CO 0.03 0.63 -0.22 0.77 0.00 0.00 0.00 179.25 180.45 1xk0 h SER 53 N 1.33 -0.53 -0.94 0.00 0.02 -1.09 -2.61 113.55 109.73 1xk0 h SER 53 Ca 0.37 -0.04 0.17 0.00 -0.84 0.00 0.00 61.79 61.45 1xk0 h SER 53 Cb -0.12 0.14 -0.08 0.00 0.14 0.00 0.00 62.40 62.48 1xk0 h SER 53 CO -0.09 -0.29 0.60 -0.07 -1.14 0.00 0.00 176.83 175.84 1xk0 h LEU 54 N -0.74 0.66 0.41 5.07 3.38 -0.95 -1.00 115.31 122.13 1xk0 h LEU 54 Ca -0.06 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1xk0 h LEU 54 Cb 0.54 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1xk0 h LEU 54 CO 0.10 0.29 -0.20 0.22 0.09 0.00 0.00 178.44 178.95 1xk0 h TYR 55 N 0.68 -0.51 -0.67 1.13 3.20 -0.92 -0.08 116.97 119.80 1xk0 h TYR 55 Ca 0.50 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.40 1xk0 h TYR 55 Cb 0.86 0.17 -0.05 0.00 1.54 0.00 0.00 36.73 39.25 1xk0 h TYR 55 CO -0.00 -0.26 0.40 0.45 -1.64 0.00 0.00 178.16 177.11 1xk0 h HIS 56 N -0.64 0.75 -0.40 -3.82 3.86 -1.02 -0.22 115.15 113.65 1xk0 h HIS 56 Ca -0.06 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 1xk0 h HIS 56 Cb 0.47 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.68 1xk0 h HIS 56 CO -0.03 0.41 0.21 0.82 0.86 0.00 0.00 177.93 180.20 1xk0 h ILE 57 N 0.78 1.16 0.00 2.45 2.04 -1.10 -2.47 117.51 120.37 1xk0 h ILE 57 Ca 0.28 -0.45 -0.13 0.00 1.00 0.00 0.00 64.86 65.56 1xk0 h ILE 57 Cb 0.08 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 1xk0 h ILE 57 CO -0.13 0.18 -0.62 1.88 0.00 0.00 0.00 178.15 179.45 1xk0 h TYR 58 N 0.52 0.00 -0.39 1.37 0.05 -0.68 0.07 116.97 117.90 1xk0 h TYR 58 Ca 0.14 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.84 1xk0 h TYR 58 Cb 0.09 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.82 1xk0 h TYR 58 CO -0.02 0.62 -0.05 0.28 -1.05 0.00 0.00 178.16 177.95 1xk0 h VAL 59 N 0.00 1.27 0.01 -2.88 2.07 -0.95 0.47 116.25 116.24 1xk0 h VAL 59 Ca -0.01 -1.10 -0.00 0.00 0.82 0.00 0.00 66.70 66.41 1xk0 h VAL 59 Cb 1.13 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1xk0 h VAL 59 CO 0.08 0.37 -0.00 0.00 0.02 0.00 0.00 177.57 178.04 1xk0 h ALA 60 N 0.86 -0.01 0.07 1.67 0.00 -1.35 -2.05 119.26 118.46 1xk0 h ALA 60 Ca 0.10 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1xk0 h ALA 60 Cb 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1xk0 h ALA 60 CO 0.03 -0.26 -0.18 1.25 0.00 0.00 0.00 179.25 180.10 1xk0 h LEU 61 N -0.51 -0.50 -1.75 0.00 5.85 -0.97 -1.60 115.31 115.83 1xk0 h LEU 61 Ca -0.00 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 1xk0 h LEU 61 Cb 0.50 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.72 1xk0 h LEU 61 CO 0.00 -0.25 -0.13 -0.33 -0.34 0.00 0.00 178.44 177.39 1xk0 h GLU 62 N -0.33 0.00 -0.09 1.25 5.08 -0.98 -0.50 114.58 119.02 1xk0 h GLU 62 Ca 0.03 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.17 1xk0 h GLU 62 Cb 0.36 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.62 1xk0 h GLU 62 CO -0.12 0.13 -0.85 1.49 -1.00 0.00 0.00 179.01 178.66 1xk0 h GLU 63 N 0.00 0.66 -0.02 2.33 4.81 -0.95 -2.29 114.58 119.11 1xk0 h GLU 63 Ca -0.00 -0.59 -0.16 0.00 -0.13 0.00 0.00 59.36 58.48 1xk0 h GLU 63 Cb 0.43 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 1xk0 h GLU 63 CO 0.02 1.20 -0.71 0.93 -0.73 0.00 0.00 179.01 179.72 1xk0 h GLU 64 N 0.42 0.14 -0.43 1.92 4.39 -0.70 -2.65 114.58 117.67 1xk0 h GLU 64 Ca -0.07 -0.12 -0.05 0.00 0.34 0.00 0.00 59.36 59.46 1xk0 h GLU 64 Cb 1.48 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 30.14 1xk0 h GLU 64 CO 0.17 0.79 0.06 0.82 -1.16 0.00 0.00 179.01 179.68 1xk0 h ILE 65 N 0.09 1.25 -0.53 3.13 2.04 -1.05 -1.93 117.51 120.52 1xk0 h ILE 65 Ca -0.02 -0.92 -0.04 0.00 1.00 0.00 0.00 64.86 64.89 1xk0 h ILE 65 Cb 1.25 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 38.31 1xk0 h ILE 65 CO 0.10 0.32 0.16 -0.33 0.00 0.00 0.00 178.15 178.40 1xk0 h GLU 66 N 0.58 0.78 0.00 2.37 4.39 -1.35 0.40 114.58 121.75 1xk0 h GLU 66 Ca 0.13 -0.14 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 1xk0 h GLU 66 Cb 0.40 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 1xk0 h GLU 66 CO 0.01 0.68 -0.30 -0.09 -1.16 0.00 0.00 179.01 178.15 1xk0 h ARG 67 N 0.76 0.00 0.00 2.33 2.43 -1.16 -3.25 114.38 115.50 1xk0 h ARG 67 Ca 0.18 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1xk0 h ARG 67 Cb 0.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1xk0 h ARG 67 CO -0.01 0.30 -0.01 0.09 -1.51 0.00 0.00 179.97 178.83 1xk0 n ASN 68 N -3.76 2.15 0.09 -3.80 4.13 -0.75 -4.77 115.26 108.54 1xk0 n ASN 68 Ca -0.01 -2.69 0.05 0.00 1.68 0.00 0.00 54.58 53.61 1xk0 n ASN 68 Cb 0.40 -0.28 0.47 0.00 -1.54 0.00 0.00 39.78 38.83 1xk0 n ASN 68 CO 0.00 0.00 0.00 0.07 0.28 0.00 0.00 177.26 177.61 1xk0 h LYS 69 N 0.00 0.35 -0.01 3.52 2.10 -0.25 -2.50 116.57 119.78 1xk0 h LYS 69 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1xk0 h LYS 69 Cb 0.85 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.11 1xk0 h LYS 69 CO 0.00 0.27 -0.10 0.39 -2.00 0.00 0.00 179.45 178.01 1xk0 n GLU 70 N -4.46 0.97 -3.16 0.07 1.02 -1.26 -3.38 120.64 110.44 1xk0 n GLU 70 Ca 0.01 -0.42 -0.37 0.00 -0.02 0.00 0.00 57.16 56.36 1xk0 n GLU 70 Cb 0.10 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 29.97 1xk0 n GLU 70 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1xk0 s SER 71 N -2.32 7.05 0.56 1.62 0.15 -0.94 -4.84 113.70 114.98 1xk0 s SER 71 Ca 0.32 1.36 0.31 0.00 0.70 0.00 0.00 55.95 58.65 1xk0 s SER 71 Cb 0.20 -2.40 1.70 0.00 -1.71 0.00 0.00 66.02 63.81 1xk0 s SER 71 CO 0.44 0.10 1.94 -0.65 1.20 0.00 0.00 173.24 176.27 1xk0 h PRO 72 N 3.70 0.00 0.00 5.44 0.11 -1.90 0.56 132.00 139.92 1xk0 h PRO 72 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1xk0 h PRO 72 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1xk0 h PRO 72 CO 0.65 0.00 -0.22 1.33 -0.21 0.00 0.00 178.00 179.55 1xk0 n VAL 73 N -2.72 0.14 0.00 3.15 0.24 -1.26 -4.43 118.33 113.45 1xk0 n VAL 73 Ca -0.02 -0.08 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 1xk0 n VAL 73 Cb 0.20 -0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.32 1xk0 n VAL 73 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 1xk0 n PHE 74 N -1.70 0.00 -0.34 6.34 7.35 -0.24 -4.75 117.46 124.11 1xk0 n PHE 74 Ca 0.06 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.79 1xk0 n PHE 74 Cb 0.37 0.00 0.11 0.00 0.35 0.00 0.00 39.48 40.31 1xk0 n PHE 74 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1xk0 n ALA 75 N -0.72 0.14 -0.24 3.13 0.00 0.18 -1.00 120.51 122.00 1xk0 n ALA 75 Ca 0.00 1.01 0.23 0.00 0.00 0.00 0.00 53.44 54.68 1xk0 n ALA 75 Cb 0.08 -0.57 0.57 0.00 0.00 0.00 0.00 19.45 19.53 1xk0 n ALA 75 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1xk0 h PRO 76 N 0.00 0.28 -0.48 0.00 0.11 -1.83 -0.99 132.00 129.09 1xk0 h PRO 76 Ca 0.42 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 66.40 1xk0 h PRO 76 Cb 0.66 -0.06 -0.07 0.00 0.11 0.00 0.00 31.00 31.64 1xk0 h PRO 76 CO -0.96 0.18 0.09 1.33 -0.21 0.00 0.00 178.00 178.43 1xk0 n VAL 77 N -4.46 2.62 -2.73 3.15 0.24 -0.17 -4.89 118.33 112.10 1xk0 n VAL 77 Ca 0.20 -1.91 -0.43 0.00 -2.04 0.00 0.00 64.34 60.16 1xk0 n VAL 77 Cb 0.81 -0.31 -0.03 0.00 -1.47 0.00 0.00 33.84 32.84 1xk0 n VAL 77 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1xk0 s TYR 78 N -2.97 2.86 -0.45 6.34 5.04 -0.38 -4.92 117.35 122.88 1xk0 s TYR 78 Ca 0.49 0.48 0.09 0.00 -2.44 0.00 0.00 57.07 55.68 1xk0 s TYR 78 Cb 0.40 -4.17 0.29 0.00 0.35 0.00 0.00 41.96 38.83 1xk0 s TYR 78 CO 0.10 -1.20 0.68 1.19 -1.34 0.00 0.00 175.55 174.97 1xk0 n PHE 79 N 7.49 1.02 -0.03 4.97 3.72 -1.26 -5.01 117.46 128.37 1xk0 n PHE 79 Ca 0.08 -3.80 -0.12 0.00 -0.05 0.00 0.00 57.45 53.57 1xk0 n PHE 79 Cb 0.49 -0.42 -0.06 0.00 -0.94 0.00 0.00 39.48 38.55 1xk0 n PHE 79 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1xk0 h PRO 80 N 3.57 -0.43 -0.34 -1.08 0.13 -1.97 -1.33 132.00 130.55 1xk0 h PRO 80 Ca 0.11 0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.24 1xk0 h PRO 80 Cb 0.82 0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 1xk0 h PRO 80 CO 0.58 -0.29 0.12 0.93 -0.23 0.00 0.00 178.00 179.11 1xk0 h GLU 81 N -0.45 0.52 -0.27 0.86 4.39 -1.96 0.76 114.58 118.43 1xk0 h GLU 81 Ca 0.09 -0.10 -0.08 0.00 0.34 0.00 0.00 59.36 59.60 1xk0 h GLU 81 Cb 0.61 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 1xk0 h GLU 81 CO -0.43 0.53 -0.19 0.93 -1.16 0.00 0.00 179.01 178.69 1xk0 h GLU 82 N 0.39 0.48 0.00 2.33 3.07 -1.80 -3.39 114.58 115.66 1xk0 h GLU 82 Ca 0.11 -0.16 -0.05 0.00 -0.50 0.00 0.00 59.36 58.76 1xk0 h GLU 82 Cb 0.22 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 1xk0 h GLU 82 CO -0.01 0.66 -1.36 1.28 -1.40 0.00 0.00 179.01 178.18 1xk0 n LEU 83 N -4.16 0.00 -4.59 1.33 4.77 -0.51 -4.53 117.00 109.32 1xk0 n LEU 83 Ca 0.00 0.00 -0.54 0.00 -0.03 0.00 0.00 56.01 55.44 1xk0 n LEU 83 Cb 0.37 0.07 -0.07 0.00 -2.33 0.00 0.00 43.42 41.46 1xk0 n LEU 83 CO 0.41 0.07 0.87 0.00 -1.33 0.00 0.00 177.39 177.42 1xk0 n HIS 84 N -1.96 1.38 0.05 -1.77 1.44 0.25 -4.88 115.22 109.73 1xk0 n HIS 84 Ca -0.05 0.73 0.03 0.00 -2.01 0.00 0.00 57.72 56.42 1xk0 n HIS 84 Cb 0.42 -2.29 -0.04 0.00 0.12 0.00 0.00 29.99 28.19 1xk0 n HIS 84 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1xk0 n ARG 85 N 2.59 1.05 -0.16 -1.40 5.12 -1.26 -4.77 116.66 117.83 1xk0 n ARG 85 Ca 0.20 -0.04 -0.04 0.00 -1.93 0.00 0.00 57.85 56.03 1xk0 n ARG 85 Cb 0.15 -1.08 0.03 0.00 -1.16 0.00 0.00 32.46 30.40 1xk0 n ARG 85 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 1xk0 h LYS 86 N 0.00 -0.09 -0.73 5.56 3.64 -1.90 -1.08 116.57 121.97 1xk0 h LYS 86 Ca 0.00 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1xk0 h LYS 86 Cb 0.25 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 1xk0 h LYS 86 CO 0.00 -0.06 0.39 0.00 -2.27 0.00 0.00 179.45 177.51 1xk0 h ALA 87 N 1.26 1.33 -0.34 5.00 0.00 -1.99 -1.11 119.26 123.41 1xk0 h ALA 87 Ca 0.24 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1xk0 h ALA 87 Cb 0.46 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1xk0 h ALA 87 CO -0.57 0.55 -0.19 0.00 0.00 0.00 0.00 179.25 179.04 1xk0 h ALA 88 N 1.42 1.03 -0.04 0.00 0.00 -1.65 -2.15 119.26 117.88 1xk0 h ALA 88 Ca 0.26 -0.34 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 1xk0 h ALA 88 Cb 0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1xk0 h ALA 88 CO -0.04 0.58 -0.70 -0.07 0.00 0.00 0.00 179.25 179.02 1xk0 h LEU 89 N 0.56 0.26 -0.33 0.00 3.38 -0.63 -1.28 115.31 117.27 1xk0 h LEU 89 Ca 0.09 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1xk0 h LEU 89 Cb 0.65 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1xk0 h LEU 89 CO 0.05 0.88 0.10 -0.33 0.09 0.00 0.00 178.44 179.22 1xk0 h GLU 90 N 0.15 0.51 -0.90 1.13 5.08 -1.00 0.18 114.58 119.73 1xk0 h GLU 90 Ca -0.02 -0.11 0.05 0.00 -1.00 0.00 0.00 59.36 58.28 1xk0 h GLU 90 Cb 1.25 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.37 1xk0 h GLU 90 CO 0.11 0.55 0.57 1.96 -1.00 0.00 0.00 179.01 181.20 1xk0 h GLN 91 N 0.37 1.04 -0.11 2.33 1.08 -1.21 -1.63 115.11 116.98 1xk0 h GLN 91 Ca 0.10 -0.06 -0.21 0.00 -1.45 0.00 0.00 58.65 57.03 1xk0 h GLN 91 Cb 0.26 -0.23 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 1xk0 h GLN 91 CO -0.00 0.69 -0.77 -0.44 -0.95 0.00 0.00 178.83 177.35 1xk0 h ASP 92 N 1.07 0.74 0.71 1.46 3.45 -0.87 -3.13 116.42 119.86 1xk0 h ASP 92 Ca 0.38 -0.49 -0.11 0.00 0.43 0.00 0.00 57.03 57.23 1xk0 h ASP 92 Cb 0.11 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 38.64 1xk0 h ASP 92 CO -0.15 1.27 -0.54 -0.07 -1.57 0.00 0.00 179.24 178.17 1xk0 h LEU 93 N 0.42 0.00 -0.65 1.55 3.38 -0.35 -0.43 115.31 119.22 1xk0 h LEU 93 Ca -0.05 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 1xk0 h LEU 93 Cb 1.38 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.10 1xk0 h LEU 93 CO 0.15 0.54 0.10 0.00 0.09 0.00 0.00 178.44 179.32 1xk0 h ALA 94 N 1.46 0.87 -0.09 1.53 0.00 -1.34 0.50 119.26 122.19 1xk0 h ALA 94 Ca -0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1xk0 h ALA 94 Cb 1.04 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1xk0 h ALA 94 CO 0.07 0.64 -0.04 0.35 0.00 0.00 0.00 179.25 180.27 1xk0 h PHE 95 N 1.00 0.20 -0.22 0.00 3.57 -1.43 0.29 116.94 120.36 1xk0 h PHE 95 Ca 0.20 -0.05 -0.14 0.00 3.53 0.00 0.00 57.97 61.51 1xk0 h PHE 95 Cb 0.44 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 1xk0 h PHE 95 CO 0.03 0.53 -0.45 -1.49 -2.23 0.00 0.00 178.31 174.70 1xk0 h TRP 96 N -0.18 0.65 -0.01 0.41 4.06 -0.84 -3.34 115.95 116.71 1xk0 h TRP 96 Ca 0.02 -0.20 0.00 0.00 2.06 0.00 0.00 58.89 60.77 1xk0 h TRP 96 Cb 0.47 -0.14 0.00 0.00 -1.00 0.00 0.00 29.16 28.49 1xk0 h TRP 96 CO 0.06 0.89 -0.03 0.66 -3.56 0.00 0.00 178.44 176.47 1xk0 n TYR 97 N -4.01 0.00 0.00 0.49 4.01 0.17 -5.07 117.16 112.75 1xk0 n TYR 97 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1xk0 n TYR 97 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.57 1xk0 n TYR 97 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xk0 n GLY 98 N 0.41 -0.29 0.46 2.72 0.00 0.10 -4.15 105.19 104.44 1xk0 n GLY 98 Ca 0.03 -1.72 0.26 0.00 0.00 0.00 0.00 46.02 44.59 1xk0 n GLY 98 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xk0 h PRO 99 N 0.00 0.00 -0.86 1.61 0.13 -1.91 0.26 132.00 131.23 1xk0 h PRO 99 Ca 0.00 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.66 1xk0 h PRO 99 Cb 0.00 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 30.86 1xk0 h PRO 99 CO 0.00 0.00 0.49 0.54 -0.23 0.00 0.00 178.00 178.80 1xk0 n ARG 100 N -3.65 2.26 -0.35 0.86 1.74 -1.26 -4.70 116.66 111.55 1xk0 n ARG 100 Ca 0.16 -3.12 0.08 0.00 -0.77 0.00 0.00 57.85 54.20 1xk0 n ARG 100 Cb 1.02 -2.12 0.25 0.00 -1.02 0.00 0.00 32.46 30.58 1xk0 n ARG 100 CO 0.00 0.00 0.00 0.11 -1.52 0.00 0.00 177.63 176.22 1xk0 h TRP 101 N 1.17 1.09 -0.19 -1.55 5.08 -0.64 -1.79 115.95 119.12 1xk0 h TRP 101 Ca 0.54 0.03 0.06 0.00 1.08 0.00 0.00 58.89 60.60 1xk0 h TRP 101 Cb 2.31 -0.34 -0.01 0.00 -3.00 0.00 0.00 29.16 28.12 1xk0 h TRP 101 CO 1.44 0.39 0.14 1.96 -1.28 0.00 0.00 178.44 181.09 1xk0 h GLN 102 N 0.92 0.00 0.00 0.12 4.20 -1.85 0.18 115.11 118.68 1xk0 h GLN 102 Ca 0.50 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 59.00 1xk0 h GLN 102 Cb 0.56 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.31 1xk0 h GLN 102 CO -0.29 0.00 -1.09 0.93 -0.67 0.00 0.00 178.83 177.71 1xk0 h GLU 103 N 0.00 0.00 0.00 1.46 5.08 -1.71 -3.38 114.58 116.03 1xk0 h GLU 103 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1xk0 h GLU 103 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1xk0 h GLU 103 CO -0.00 0.89 -1.15 1.33 -1.00 0.00 0.00 179.01 179.08 1xk0 n VAL 104 N -3.29 0.00 -1.91 3.13 0.24 -0.68 -5.00 118.33 110.82 1xk0 n VAL 104 Ca -0.03 -0.22 -0.40 0.00 -2.04 0.00 0.00 64.34 61.65 1xk0 n VAL 104 Cb 0.95 0.65 0.00 0.00 -1.47 0.00 0.00 33.84 33.97 1xk0 n VAL 104 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1xk0 s ILE 105 N -2.77 2.31 0.46 1.34 -4.36 0.53 -4.96 121.20 113.74 1xk0 s ILE 105 Ca 0.01 0.28 -0.22 0.00 -0.26 0.00 0.00 60.65 60.47 1xk0 s ILE 105 Cb 0.12 -3.17 -0.08 0.00 1.25 0.00 0.00 42.46 40.57 1xk0 s ILE 105 CO 0.67 0.05 1.07 -2.16 0.24 0.00 0.00 174.94 174.81 1xk0 s PRO 106 N -2.26 3.89 -0.47 0.37 0.04 -1.26 -5.01 135.00 130.30 1xk0 s PRO 106 Ca 0.57 1.50 0.05 0.00 0.04 0.00 0.00 61.00 63.16 1xk0 s PRO 106 Cb -0.42 -2.29 0.18 0.00 0.04 0.00 0.00 34.50 32.01 1xk0 s PRO 106 CO 0.55 -0.38 0.40 0.98 0.04 0.00 0.00 177.00 178.58 1xk0 n TYR 107 N -0.60 -0.02 -1.23 0.56 9.36 -1.26 -4.83 117.16 119.14 1xk0 n TYR 107 Ca 0.08 -3.53 -0.30 0.00 3.32 0.00 0.00 57.90 57.47 1xk0 n TYR 107 Cb 0.51 0.02 0.14 0.00 -0.63 0.00 0.00 39.34 39.38 1xk0 n TYR 107 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 1xk0 s THR 108 N -0.42 2.63 0.27 2.97 -4.23 -1.26 -4.77 115.64 110.84 1xk0 s THR 108 Ca 0.32 0.21 -0.04 0.00 -1.18 0.00 0.00 61.69 61.00 1xk0 s THR 108 Cb 0.04 -2.71 0.26 0.00 1.34 0.00 0.00 72.50 71.44 1xk0 s THR 108 CO -0.18 -0.27 1.92 -0.65 -0.54 0.00 0.00 174.62 174.90 1xk0 h PRO 109 N -1.54 1.22 0.00 3.99 0.11 -2.00 0.13 132.00 133.91 1xk0 h PRO 109 Ca -0.50 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 65.47 1xk0 h PRO 109 Cb 1.29 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1xk0 h PRO 109 CO 0.55 0.81 -0.32 0.00 -0.21 0.00 0.00 178.00 178.83 1xk0 h ALA 110 N 1.42 1.12 -0.01 -0.75 0.00 -1.93 -0.15 119.26 118.96 1xk0 h ALA 110 Ca 0.38 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1xk0 h ALA 110 Cb -0.05 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.70 1xk0 h ALA 110 CO -0.11 0.40 -0.27 0.52 0.00 0.00 0.00 179.25 179.80 1xk0 h MET 111 N 0.00 0.20 -0.63 0.00 2.86 -1.57 -2.99 114.93 112.80 1xk0 h MET 111 Ca -0.00 -0.20 -0.00 0.00 -2.06 0.00 0.00 59.70 57.43 1xk0 h MET 111 Cb 0.74 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.42 1xk0 h MET 111 CO 0.04 0.91 0.37 1.96 1.06 0.00 0.00 176.91 181.26 1xk0 h GLN 112 N -0.44 0.86 -0.45 1.72 4.20 -0.55 -1.00 115.11 119.45 1xk0 h GLN 112 Ca -0.03 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.57 1xk0 h GLN 112 Cb 1.00 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.58 1xk0 h GLN 112 CO 0.05 0.61 0.14 0.00 -0.67 0.00 0.00 178.83 178.96 1xk0 h ARG 113 N 0.87 0.71 0.02 1.46 3.08 -1.07 0.27 114.38 119.72 1xk0 h ARG 113 Ca 0.23 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 1xk0 h ARG 113 Cb -0.02 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.93 1xk0 h ARG 113 CO -0.04 0.68 -0.01 -0.92 -1.07 0.00 0.00 179.97 178.61 1xk0 h TYR 114 N 0.59 -0.03 -0.70 3.04 5.03 -1.29 -1.88 116.97 121.73 1xk0 h TYR 114 Ca 0.15 -0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.47 1xk0 h TYR 114 Cb 0.27 0.01 -0.04 0.00 1.55 0.00 0.00 36.73 38.53 1xk0 h TYR 114 CO 0.01 0.16 0.46 0.28 -1.32 0.00 0.00 178.16 177.76 1xk0 h VAL 115 N -0.22 1.15 -0.57 1.81 2.07 -1.05 -1.73 116.25 117.71 1xk0 h VAL 115 Ca -0.00 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1xk0 h VAL 115 Cb 0.21 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 1xk0 h VAL 115 CO 0.01 0.17 0.30 0.50 0.02 0.00 0.00 177.57 178.57 1xk0 h LYS 116 N 0.92 0.79 -0.72 1.57 3.64 -0.35 -2.31 116.57 120.12 1xk0 h LYS 116 Ca 0.27 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 59.49 1xk0 h LYS 116 Cb -0.07 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.57 1xk0 h LYS 116 CO -0.07 0.62 0.22 -0.09 -2.27 0.00 0.00 179.45 177.85 1xk0 h ARG 117 N 0.76 1.12 -0.87 1.90 9.65 -1.03 -0.96 114.38 124.94 1xk0 h ARG 117 Ca 0.20 -0.24 0.03 0.00 -1.10 0.00 0.00 59.98 58.87 1xk0 h ARG 117 Cb 0.06 -0.16 -0.05 0.00 -1.39 0.00 0.00 29.97 28.43 1xk0 h ARG 117 CO -0.03 0.96 0.57 -0.07 2.80 0.00 0.00 179.97 184.19 1xk0 h LEU 118 N 1.06 0.94 -0.44 3.80 3.38 -1.03 -1.28 115.31 121.74 1xk0 h LEU 118 Ca 0.23 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 58.02 1xk0 h LEU 118 Cb 0.31 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1xk0 h LEU 118 CO -0.01 0.65 -0.70 0.45 0.09 0.00 0.00 178.44 178.92 1xk0 h HIS 119 N 1.10 0.51 -0.05 1.13 3.86 -1.05 -1.19 115.15 119.46 1xk0 h HIS 119 Ca 0.35 -0.22 -0.00 0.00 -1.16 0.00 0.00 60.37 59.34 1xk0 h HIS 119 Cb 0.00 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 28.39 1xk0 h HIS 119 CO -0.02 0.96 0.02 0.93 0.86 0.00 0.00 177.93 180.69 1xk0 h GLU 120 N 0.27 0.07 0.59 2.45 5.08 -0.74 -1.85 114.58 120.44 1xk0 h GLU 120 Ca -0.02 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1xk0 h GLU 120 Cb 1.27 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.51 1xk0 h GLU 120 CO 0.12 0.15 -0.28 0.28 -1.00 0.00 0.00 179.01 178.27 1xk0 h VAL 121 N -0.03 0.38 -0.13 3.13 2.07 -1.22 -0.76 116.25 119.69 1xk0 h VAL 121 Ca 0.02 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.40 1xk0 h VAL 121 Cb 0.10 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1xk0 h VAL 121 CO -0.00 0.02 0.09 1.23 0.02 0.00 0.00 177.57 178.93 1xk0 h GLY 122 N -0.90 0.07 0.86 2.17 0.00 -1.26 0.27 103.07 104.29 1xk0 h GLY 122 Ca -0.08 -0.02 -0.29 0.00 0.00 0.00 0.00 47.33 46.93 1xk0 h GLY 122 CO 0.13 0.02 -1.38 -0.09 0.00 0.00 0.00 176.54 175.22 1xk0 h ARG 123 N 0.06 0.38 0.00 4.80 2.43 -1.24 -3.38 114.38 117.42 1xk0 h ARG 123 Ca 0.06 -0.64 -0.00 0.00 -0.81 0.00 0.00 59.98 58.58 1xk0 h ARG 123 Cb 0.16 0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1xk0 h ARG 123 CO -0.01 1.31 -1.02 0.25 -1.51 0.00 0.00 179.97 178.99 1xk0 n THR 124 N -3.83 0.01 -2.92 0.20 -2.24 -0.30 -4.81 114.28 100.39 1xk0 n THR 124 Ca -0.20 -0.01 -0.21 0.00 -2.27 0.00 0.00 64.05 61.35 1xk0 n THR 124 Cb 0.98 0.23 -0.02 0.00 -2.10 0.00 0.00 70.33 69.42 1xk0 n THR 124 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xk0 n GLU 125 N -1.60 2.16 0.09 -0.78 1.02 0.74 -4.94 120.64 117.32 1xk0 n GLU 125 Ca -0.00 -4.05 0.20 0.00 -0.02 0.00 0.00 57.16 53.29 1xk0 n GLU 125 Cb 0.10 -1.90 0.73 0.00 -0.02 0.00 0.00 31.44 30.35 1xk0 n GLU 125 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1xk0 h PRO 126 N 2.93 0.00 0.00 3.49 0.13 -1.13 -0.94 132.00 136.48 1xk0 h PRO 126 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1xk0 h PRO 126 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1xk0 h PRO 126 CO 0.66 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.48 1xk0 h GLU 127 N 0.00 0.00 0.00 0.86 9.09 -1.86 -1.69 114.58 120.98 1xk0 h GLU 127 Ca 0.20 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.61 1xk0 h GLU 127 Cb 1.17 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.27 1xk0 h GLU 127 CO -0.00 0.00 -0.78 1.28 0.05 0.00 0.00 179.01 179.56 1xk0 n LEU 128 N -2.56 0.78 -0.15 3.06 4.77 -0.36 -4.28 117.00 118.26 1xk0 n LEU 128 Ca -0.00 -0.28 0.11 0.00 -0.03 0.00 0.00 56.01 55.81 1xk0 n LEU 128 Cb 0.16 -0.11 0.44 0.00 -2.33 0.00 0.00 43.42 41.58 1xk0 n LEU 128 CO 0.18 0.19 1.20 0.25 -1.33 0.00 0.00 177.39 177.89 1xk0 h LEU 129 N 0.00 0.50 -1.48 2.23 5.85 -1.42 -1.40 115.31 119.60 1xk0 h LEU 129 Ca 0.00 0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.84 1xk0 h LEU 129 Cb 0.50 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 1xk0 h LEU 129 CO 0.00 0.30 0.48 1.62 -0.34 0.00 0.00 178.44 180.50 1xk0 h VAL 130 N 0.56 0.90 -0.68 1.05 3.04 -1.76 -0.14 116.25 119.21 1xk0 h VAL 130 Ca 0.32 -0.20 -0.06 0.00 -1.01 0.00 0.00 66.70 65.75 1xk0 h VAL 130 Cb 0.51 0.28 -0.03 0.00 -2.01 0.00 0.00 31.29 30.04 1xk0 h VAL 130 CO -0.11 0.10 0.18 0.00 -1.01 0.00 0.00 177.57 176.74 1xk0 h ALA 131 N 1.64 1.03 -0.12 3.17 0.00 -1.54 0.10 119.26 123.54 1xk0 h ALA 131 Ca 0.34 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1xk0 h ALA 131 Cb 0.56 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1xk0 h ALA 131 CO -0.12 0.64 -0.25 0.45 0.00 0.00 0.00 179.25 179.97 1xk0 h HIS 132 N 1.02 0.49 -0.88 0.00 -0.00 -1.13 -1.62 115.15 113.03 1xk0 h HIS 132 Ca 0.22 -0.18 -0.02 0.00 -0.00 0.00 0.00 60.37 60.38 1xk0 h HIS 132 Cb 0.33 -0.09 -0.04 0.00 -0.00 0.00 0.00 27.41 27.61 1xk0 h HIS 132 CO 0.03 0.87 0.46 0.00 -0.00 0.00 0.00 177.93 179.28 1xk0 h ALA 133 N 0.53 1.14 0.64 2.45 0.00 -1.12 -0.81 119.26 122.09 1xk0 h ALA 133 Ca 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1xk0 h ALA 133 Cb 0.84 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1xk0 h ALA 133 CO 0.06 0.67 -0.44 -0.92 0.00 0.00 0.00 179.25 178.62 1xk0 h TYR 134 N 1.25 -1.18 -0.10 0.00 3.20 -0.77 0.09 116.97 119.46 1xk0 h TYR 134 Ca 0.31 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.21 1xk0 h TYR 134 Cb 0.07 0.43 -0.06 0.00 1.54 0.00 0.00 36.73 38.71 1xk0 h TYR 134 CO 0.01 -0.63 -0.32 1.15 -1.64 0.00 0.00 178.16 176.73 1xk0 h THR 135 N -1.02 0.29 0.67 1.81 2.02 -1.10 -1.12 112.91 114.45 1xk0 h THR 135 Ca -0.09 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 1xk0 h THR 135 Cb 0.83 0.29 0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1xk0 h THR 135 CO 0.06 0.00 -0.32 0.03 0.37 0.00 0.00 175.52 175.66 1xk0 h ARG 136 N -0.41 -0.87 -0.23 6.66 2.47 -1.16 -2.47 114.38 118.37 1xk0 h ARG 136 Ca 0.09 0.06 -0.03 0.00 -1.26 0.00 0.00 59.98 58.84 1xk0 h ARG 136 Cb 0.55 0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 29.06 1xk0 h ARG 136 CO -0.33 -0.55 0.02 1.88 0.56 0.00 0.00 179.97 181.55 1xk0 h TYR 137 N -1.02 0.42 0.00 3.04 0.05 -0.98 -0.94 116.97 117.55 1xk0 h TYR 137 Ca -0.09 -0.07 -0.08 0.00 0.05 0.00 0.00 58.73 58.54 1xk0 h TYR 137 Cb 0.72 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 38.34 1xk0 h TYR 137 CO -0.01 0.54 -0.38 -0.07 -1.05 0.00 0.00 178.16 177.19 1xk0 h LEU 138 N 0.18 0.00 0.64 3.88 4.07 -1.33 0.27 115.31 123.02 1xk0 h LEU 138 Ca 0.07 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.00 1xk0 h LEU 138 Cb 0.36 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.11 1xk0 h LEU 138 CO 0.01 0.38 -0.31 0.00 -1.08 0.00 0.00 178.44 177.44 1xk0 h ALA 139 N 1.62 -0.88 -0.31 1.53 0.00 -1.29 -0.11 119.26 119.82 1xk0 h ALA 139 Ca -0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1xk0 h ALA 139 Cb 0.70 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1xk0 h ALA 139 CO 0.05 -0.82 0.11 -0.44 0.00 0.00 0.00 179.25 178.16 1xk0 h ASP 140 N -1.20 0.39 0.50 0.00 3.32 -1.12 -1.11 116.42 117.20 1xk0 h ASP 140 Ca -0.09 -0.04 -0.15 0.00 0.02 0.00 0.00 57.03 56.78 1xk0 h ASP 140 Cb 0.66 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 1xk0 h ASP 140 CO 0.14 0.37 -0.66 0.25 -1.72 0.00 0.00 179.24 177.62 1xk0 h LEU 141 N 0.44 0.17 0.04 1.55 5.85 -0.47 -2.19 115.31 120.71 1xk0 h LEU 141 Ca 0.11 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1xk0 h LEU 141 Cb 0.11 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1xk0 h LEU 141 CO -0.01 0.78 -0.02 0.28 -0.34 0.00 0.00 178.44 179.13 1xk0 h SER 142 N 0.10 -0.05 0.56 1.25 0.02 -0.01 -3.39 113.55 112.03 1xk0 h SER 142 Ca -0.01 -0.44 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1xk0 h SER 142 Cb 1.18 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1xk0 h SER 142 CO 0.10 0.64 -0.48 0.61 -1.14 0.00 0.00 176.83 176.55 1xk0 n GLY 143 N 1.44 -1.28 0.38 -3.77 0.00 -0.51 -4.25 105.19 97.20 1xk0 n GLY 143 Ca -0.05 -0.33 0.14 0.00 0.00 0.00 0.00 46.02 45.78 1xk0 n GLY 143 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xk0 h GLY 144 N 4.96 0.00 0.00 -0.02 0.00 -1.57 -2.38 103.07 104.06 1xk0 h GLY 144 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1xk0 h GLY 144 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.48 1xk0 n GLN 145 N -3.01 0.00 -0.02 4.80 3.00 -1.26 -2.23 117.38 118.66 1xk0 n GLN 145 Ca 0.05 0.00 0.19 0.00 -0.01 0.00 0.00 57.00 57.22 1xk0 n GLN 145 Cb 0.79 -0.64 0.65 0.00 0.00 0.00 0.00 30.24 31.04 1xk0 n GLN 145 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.06 176.67 1xk0 h VAL 146 N 0.00 0.76 -0.98 5.09 -1.51 -1.88 0.34 116.25 118.06 1xk0 h VAL 146 Ca 0.00 -0.03 0.06 0.00 -1.23 0.00 0.00 66.70 65.50 1xk0 h VAL 146 Cb 0.00 0.67 -0.06 0.00 -2.13 0.00 0.00 31.29 29.77 1xk0 h VAL 146 CO 0.00 0.01 0.63 -0.07 -1.23 0.00 0.00 177.57 176.92 1xk0 h LEU 147 N 0.08 1.02 -0.05 4.19 4.07 -1.53 1.77 115.31 124.87 1xk0 h LEU 147 Ca 0.26 0.01 -0.02 0.00 0.08 0.00 0.00 57.88 58.21 1xk0 h LEU 147 Cb 0.93 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 42.46 1xk0 h LEU 147 CO -0.02 0.66 -0.06 0.50 -1.08 0.00 0.00 178.44 178.43 1xk0 h LYS 148 N 1.16 0.12 -0.08 1.13 3.64 -0.49 -1.25 116.57 120.81 1xk0 h LYS 148 Ca 0.42 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.76 1xk0 h LYS 148 Cb 0.14 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 1xk0 h LYS 148 CO -0.17 0.61 -0.10 -0.22 -2.27 0.00 0.00 179.45 177.30 1xk0 h LYS 149 N -0.35 -0.13 -0.93 1.90 3.11 -0.54 -1.30 116.57 118.32 1xk0 h LYS 149 Ca 0.01 0.01 0.03 0.00 -2.81 0.00 0.00 60.65 57.89 1xk0 h LYS 149 Cb 0.60 0.03 -0.05 0.00 -1.00 0.00 0.00 32.23 31.80 1xk0 h LYS 149 CO 0.01 -0.09 0.60 0.82 -2.81 0.00 0.00 179.45 177.99 1xk0 h ILE 150 N -0.14 1.17 0.32 2.00 2.04 0.26 -2.73 117.51 120.43 1xk0 h ILE 150 Ca 0.07 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 1xk0 h ILE 150 Cb 0.23 -0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.16 1xk0 h ILE 150 CO -0.16 0.22 -0.52 0.00 0.00 0.00 0.00 178.15 177.68 1xk0 h ALA 151 N 1.38 -1.08 -0.07 1.87 0.00 -0.31 0.92 119.26 121.97 1xk0 h ALA 151 Ca 0.37 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1xk0 h ALA 151 Cb -0.01 0.82 -0.06 0.00 0.00 0.00 0.00 17.79 18.54 1xk0 h ALA 151 CO -0.12 -1.16 -0.52 1.96 0.00 0.00 0.00 179.25 179.42 1xk0 h GLN 152 N -0.88 -0.57 0.04 0.00 4.20 -1.06 1.09 115.11 117.92 1xk0 h GLN 152 Ca -0.04 0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.72 1xk0 h GLN 152 Cb 0.82 0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.70 1xk0 h GLN 152 CO -0.17 -0.38 -0.25 0.87 -0.67 0.00 0.00 178.83 178.22 1xk0 h LYS 153 N -0.60 -0.34 0.10 1.46 1.79 -1.41 0.58 116.57 118.16 1xk0 h LYS 153 Ca 0.02 0.02 0.02 0.00 -2.18 0.00 0.00 60.65 58.53 1xk0 h LYS 153 Cb 0.67 0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 31.36 1xk0 h LYS 153 CO -0.38 -0.22 -0.26 0.00 -1.08 0.00 0.00 179.45 177.50 1xk0 h ALA 154 N -1.06 -0.43 0.00 3.86 0.00 -0.64 -2.84 119.26 118.15 1xk0 h ALA 154 Ca -0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1xk0 h ALA 154 Cb 0.35 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1xk0 h ALA 154 CO -0.14 -0.79 -0.36 -0.07 0.00 0.00 0.00 179.25 177.88 1xk0 h LEU 155 N -0.46 0.00 1.11 0.00 4.07 0.13 -3.47 115.31 116.68 1xk0 h LEU 155 Ca 0.03 0.00 -0.37 0.00 0.08 0.00 0.00 57.88 57.63 1xk0 h LEU 155 Cb 0.50 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.22 1xk0 h LEU 155 CO -0.16 0.36 -0.54 -0.67 -1.08 0.00 0.00 178.44 176.35 1xk0 n ASP 156 N -3.93 -4.64 -4.54 -0.43 2.03 0.20 -4.92 116.55 100.32 1xk0 n ASP 156 Ca -0.02 -0.25 -0.29 0.00 0.52 0.00 0.00 54.79 54.76 1xk0 n ASP 156 Cb 0.42 -3.82 0.23 0.00 -0.72 0.00 0.00 41.12 37.23 1xk0 n ASP 156 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 1xk0 s LEU 157 N -6.40 1.32 0.93 -2.67 2.34 -1.25 -5.01 118.68 107.93 1xk0 s LEU 157 Ca 0.29 1.66 -0.13 0.00 0.06 0.00 0.00 54.13 56.01 1xk0 s LEU 157 Cb -0.14 -3.69 0.15 0.00 -0.56 0.00 0.00 46.19 41.95 1xk0 s LEU 157 CO 0.36 -3.91 1.15 -2.16 -1.06 0.00 0.00 176.35 170.73 1xk0 s PRO 158 N -4.53 1.01 -0.70 1.48 0.04 -1.26 -4.90 135.00 126.14 1xk0 s PRO 158 Ca 0.68 0.20 -0.07 0.00 0.04 0.00 0.00 61.00 61.84 1xk0 s PRO 158 Cb -0.24 -1.83 -0.15 0.00 0.04 0.00 0.00 34.50 32.31 1xk0 s PRO 158 CO 0.63 -2.27 3.24 0.43 0.04 0.00 0.00 177.00 179.07 1xk0 n SER 159 N -3.80 6.78 0.17 6.66 7.64 -1.26 -4.52 113.62 125.30 1xk0 n SER 159 Ca 0.08 -2.62 0.04 0.00 1.01 0.00 0.00 58.87 57.38 1xk0 n SER 159 Cb 0.59 -1.45 0.29 0.00 -1.01 0.00 0.00 64.21 62.63 1xk0 n SER 159 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1xk0 h SER 160 N 3.81 0.00 0.00 6.43 4.64 -2.03 -3.47 113.55 122.93 1xk0 h SER 160 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 1xk0 h SER 160 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1xk0 h SER 160 CO 0.92 0.45 0.00 0.61 -0.87 0.00 0.00 176.83 177.93 1xk0 n GLY 161 N 0.22 0.66 3.75 -0.77 0.00 -1.26 -4.99 105.19 102.80 1xk0 n GLY 161 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1xk0 n GLY 161 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1xk0 s GLU 162 N -0.03 1.68 0.00 1.61 -1.05 -1.26 -4.97 118.70 114.68 1xk0 s GLU 162 Ca 0.00 -1.03 0.00 0.00 -0.15 0.00 0.00 54.97 53.79 1xk0 s GLU 162 Cb 0.00 0.57 0.00 0.00 -0.44 0.00 0.00 34.13 34.26 1xk0 s GLU 162 CO 0.00 -0.75 0.00 0.41 0.95 0.00 0.00 175.26 175.87 1xk0 n GLY 163 N -0.43 1.96 0.06 -3.83 0.00 -1.26 -4.92 105.19 96.77 1xk0 n GLY 163 Ca -0.04 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.00 1xk0 n GLY 163 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xk0 n LEU 164 N 0.00 1.62 -0.34 0.99 4.77 -1.26 -4.80 117.00 117.97 1xk0 n LEU 164 Ca 0.00 -1.88 0.17 0.00 -0.03 0.00 0.00 56.01 54.27 1xk0 n LEU 164 Cb 0.00 -0.11 0.38 0.00 -2.33 0.00 0.00 43.42 41.36 1xk0 n LEU 164 CO 0.00 0.45 1.16 0.00 -1.33 0.00 0.00 177.39 177.68 1xk0 h ALA 165 N 0.00 1.76 -0.84 -1.18 0.00 -1.91 -1.27 119.26 115.83 1xk0 h ALA 165 Ca 0.00 0.12 0.20 0.00 0.00 0.00 0.00 54.91 55.24 1xk0 h ALA 165 Cb 0.77 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.45 1xk0 h ALA 165 CO 0.00 -0.25 0.25 0.35 0.00 0.00 0.00 179.25 179.61 1xk0 h PHE 166 N 0.60 0.40 0.00 0.00 3.57 -1.87 -0.03 116.94 119.60 1xk0 h PHE 166 Ca 0.64 0.05 0.00 0.00 3.53 0.00 0.00 57.97 62.18 1xk0 h PHE 166 Cb 1.18 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.88 1xk0 h PHE 166 CO -0.01 -0.12 0.00 1.19 -2.23 0.00 0.00 178.31 177.13 1xk0 n PHE 167 N -5.16 0.00 -3.99 0.41 3.72 -0.48 -4.59 117.46 107.38 1xk0 n PHE 167 Ca 0.19 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.29 1xk0 n PHE 167 Cb 0.60 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.97 1xk0 n PHE 167 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1xk0 s THR 168 N -2.00 1.51 -0.66 4.37 2.01 -0.03 -4.76 115.64 116.09 1xk0 s THR 168 Ca 0.22 -0.74 -0.17 0.00 0.31 0.00 0.00 61.69 61.32 1xk0 s THR 168 Cb 0.10 -1.51 0.14 0.00 0.01 0.00 0.00 72.50 71.24 1xk0 s THR 168 CO 0.17 0.32 0.68 -0.36 -0.69 0.00 0.00 174.62 174.74 1xk0 s PHE 169 N 1.49 3.28 0.50 4.92 0.40 -1.26 -4.93 117.98 122.37 1xk0 s PHE 169 Ca 0.02 -1.36 0.41 0.00 -0.60 0.00 0.00 56.93 55.41 1xk0 s PHE 169 Cb -0.14 -3.92 2.13 0.00 0.51 0.00 0.00 43.02 41.60 1xk0 s PHE 169 CO -0.09 -1.14 2.26 -1.00 0.70 0.00 0.00 175.22 175.94 1xk0 h PRO 170 N 8.72 0.00 -0.60 0.24 0.13 -1.93 -2.57 132.00 136.00 1xk0 h PRO 170 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1xk0 h PRO 170 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1xk0 h PRO 170 CO 1.00 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.86 1xk0 n ASN 171 N -3.06 5.02 -3.79 1.44 5.03 -1.26 -4.73 115.26 113.91 1xk0 n ASN 171 Ca -0.02 -2.64 -0.29 0.00 0.87 0.00 0.00 54.58 52.50 1xk0 n ASN 171 Cb 0.13 -0.61 -0.16 0.00 -1.02 0.00 0.00 39.78 38.13 1xk0 n ASN 171 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1xk0 s ILE 172 N -2.21 0.94 0.15 2.41 1.01 -0.97 -4.63 121.20 117.90 1xk0 s ILE 172 Ca 0.51 -1.08 0.16 0.00 0.00 0.00 0.00 60.65 60.24 1xk0 s ILE 172 Cb 0.36 -1.50 0.08 0.00 0.01 0.00 0.00 42.46 41.41 1xk0 s ILE 172 CO 0.21 -0.38 1.66 0.00 0.00 0.00 0.00 174.94 176.43 1xk0 h ALA 173 N 8.10 0.93 -2.68 9.38 0.00 -1.85 -3.42 119.26 129.72 1xk0 h ALA 173 Ca -0.15 -0.42 -0.37 0.00 0.00 0.00 0.00 54.91 53.98 1xk0 h ALA 173 Cb 1.07 -0.07 -0.37 0.00 0.00 0.00 0.00 17.79 18.41 1xk0 h ALA 173 CO 0.41 0.57 -0.67 0.45 0.00 0.00 0.00 179.25 180.02 1xk0 s SER 174 N -6.52 1.71 0.23 0.00 0.15 -1.26 -5.02 113.70 102.99 1xk0 s SER 174 Ca 0.00 -0.37 -0.06 0.00 0.70 0.00 0.00 55.95 56.22 1xk0 s SER 174 Cb 0.11 0.18 0.34 0.00 -1.71 0.00 0.00 66.02 64.94 1xk0 s SER 174 CO 0.71 -0.34 1.82 0.00 1.20 0.00 0.00 173.24 176.63 1xk0 h ALA 175 N 8.35 1.09 0.03 5.45 0.00 -1.93 -1.99 119.26 130.26 1xk0 h ALA 175 Ca -0.16 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.79 1xk0 h ALA 175 Cb 1.15 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 1xk0 h ALA 175 CO 0.29 0.12 -0.23 1.15 0.00 0.00 0.00 179.25 180.57 1xk0 h THR 176 N 0.79 0.46 -0.88 0.00 2.02 -1.95 -0.84 112.91 112.52 1xk0 h THR 176 Ca 0.36 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.52 1xk0 h THR 176 Cb 0.27 0.46 -0.04 0.00 -1.74 0.00 0.00 68.15 67.10 1xk0 h THR 176 CO -0.21 0.00 0.47 0.50 0.37 0.00 0.00 175.52 176.65 1xk0 h LYS 177 N -0.38 1.23 -0.31 6.66 3.64 -1.89 -2.37 116.57 123.15 1xk0 h LYS 177 Ca 0.05 -0.15 -0.04 0.00 -1.27 0.00 0.00 60.65 59.24 1xk0 h LYS 177 Cb 0.45 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1xk0 h LYS 177 CO -0.19 0.91 0.03 0.35 -2.27 0.00 0.00 179.45 178.27 1xk0 h PHE 178 N 1.23 0.56 -0.79 1.91 3.57 -1.08 -2.21 116.94 120.13 1xk0 h PHE 178 Ca 0.31 -0.09 0.07 0.00 3.53 0.00 0.00 57.97 61.79 1xk0 h PHE 178 Cb 0.04 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 38.58 1xk0 h PHE 178 CO 0.01 0.63 0.51 0.87 -2.23 0.00 0.00 178.31 178.10 1xk0 h LYS 179 N 0.33 0.81 -0.30 1.11 1.57 -1.02 0.49 116.57 119.56 1xk0 h LYS 179 Ca 0.09 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.71 1xk0 h LYS 179 Cb 0.39 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1xk0 h LYS 179 CO 0.01 0.53 -0.26 0.37 -0.57 0.00 0.00 179.45 179.53 1xk0 h GLN 180 N 0.83 0.61 -0.10 3.15 4.15 -1.18 -0.71 115.11 121.85 1xk0 h GLN 180 Ca 0.34 -0.25 -0.22 0.00 0.77 0.00 0.00 58.65 59.29 1xk0 h GLN 180 Cb 0.26 -0.03 0.01 0.00 0.21 0.00 0.00 27.48 27.94 1xk0 h GLN 180 CO -0.12 0.82 -0.79 1.25 -1.93 0.00 0.00 178.83 178.06 1xk0 h LEU 181 N 0.53 0.87 -0.90 -2.39 5.85 -0.38 -2.84 115.31 116.05 1xk0 h LEU 181 Ca 0.07 -0.66 -0.04 0.00 0.84 0.00 0.00 57.88 58.09 1xk0 h LEU 181 Cb 0.73 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 1xk0 h LEU 181 CO 0.06 1.40 0.36 0.22 -0.34 0.00 0.00 178.44 180.13 1xk0 h TYR 182 N 0.40 1.16 -0.55 1.25 5.03 0.01 -1.91 116.97 122.36 1xk0 h TYR 182 Ca -0.07 -0.07 -0.08 0.00 2.58 0.00 0.00 58.73 61.09 1xk0 h TYR 182 Cb 1.43 -0.36 -0.02 0.00 1.55 0.00 0.00 36.73 39.33 1xk0 h TYR 182 CO 0.10 0.85 0.03 0.93 -1.32 0.00 0.00 178.16 178.75 1xk0 h GLU 183 N 1.13 0.96 0.00 1.82 5.08 -1.13 -1.79 114.58 120.66 1xk0 h GLU 183 Ca 0.27 -0.29 -0.08 0.00 -1.00 0.00 0.00 59.36 58.26 1xk0 h GLU 183 Cb 0.15 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1xk0 h GLU 183 CO -0.03 0.95 -0.36 0.66 -1.00 0.00 0.00 179.01 179.23 1xk0 h SER 184 N 0.84 0.00 0.20 1.42 4.64 -1.26 -2.29 113.55 117.10 1xk0 h SER 184 Ca 0.16 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.31 1xk0 h SER 184 Cb 0.50 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 1xk0 h SER 184 CO 0.02 0.36 -0.67 0.03 -0.87 0.00 0.00 176.83 175.71 1xk0 h ARG 185 N 0.00 0.44 -0.44 4.77 2.47 -1.07 -2.54 114.38 118.01 1xk0 h ARG 185 Ca -0.00 -0.33 -0.11 0.00 -1.26 0.00 0.00 59.98 58.28 1xk0 h ARG 185 Cb 0.85 0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 29.22 1xk0 h ARG 185 CO 0.05 0.95 -0.18 0.52 0.56 0.00 0.00 179.97 181.87 1xk0 h MET 186 N 0.31 0.85 0.00 0.04 2.86 -1.08 -2.26 114.93 115.65 1xk0 h MET 186 Ca -0.02 -0.33 0.00 0.00 -2.06 0.00 0.00 59.70 57.29 1xk0 h MET 186 Cb 1.23 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.84 1xk0 h MET 186 CO 0.12 0.96 0.00 -0.91 1.06 0.00 0.00 176.91 178.14 1xk0 h ASN 187 N 0.75 0.00 -0.00 1.22 2.35 -1.26 -2.26 115.58 116.38 1xk0 h ASN 187 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1xk0 h ASN 187 Cb 0.70 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.07 1xk0 h ASN 187 CO 0.05 0.00 -0.02 -1.54 -1.65 0.00 0.00 177.43 174.28 1xk0 n SER 188 N -2.50 1.59 -4.68 5.81 3.41 -0.86 -4.85 113.62 111.55 1xk0 n SER 188 Ca 0.01 -1.50 -0.42 0.00 -0.26 0.00 0.00 58.87 56.70 1xk0 n SER 188 Cb 0.24 0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.17 1xk0 n SER 188 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1xk0 s LEU 189 N -2.03 4.29 -0.41 1.04 1.43 -0.85 -4.97 118.68 117.19 1xk0 s LEU 189 Ca 0.36 1.99 -0.29 0.00 -1.03 0.00 0.00 54.13 55.16 1xk0 s LEU 189 Cb 0.21 -3.56 0.02 0.00 0.03 0.00 0.00 46.19 42.89 1xk0 s LEU 189 CO 0.34 -0.69 1.17 -1.61 0.23 0.00 0.00 176.35 175.79 1xk0 s GLU 190 N 2.55 3.83 -0.16 1.70 2.02 -1.26 -4.99 118.70 122.39 1xk0 s GLU 190 Ca 0.61 0.82 -0.13 0.00 0.02 0.00 0.00 54.97 56.30 1xk0 s GLU 190 Cb -0.28 -3.87 0.04 0.00 0.10 0.00 0.00 34.13 30.12 1xk0 s GLU 190 CO 0.24 -1.24 0.41 0.00 0.02 0.00 0.00 175.26 174.69 1xk0 s MET 191 N 4.25 0.45 0.81 1.61 0.23 -1.26 -4.95 119.30 120.44 1xk0 s MET 191 Ca 0.50 0.62 -0.11 0.00 -1.03 0.00 0.00 55.69 55.67 1xk0 s MET 191 Cb -0.10 0.16 0.08 0.00 -1.53 0.00 0.00 34.83 33.44 1xk0 s MET 191 CO 0.26 -0.08 1.10 0.95 -2.03 0.00 0.00 175.02 175.22 1xk0 s THR 192 N 0.52 3.12 0.64 3.16 -4.23 -1.26 -4.73 115.64 112.85 1xk0 s THR 192 Ca -0.02 0.36 0.35 0.00 -1.18 0.00 0.00 61.69 61.20 1xk0 s THR 192 Cb -0.04 -2.81 0.38 0.00 1.34 0.00 0.00 72.50 71.37 1xk0 s THR 192 CO -0.03 -0.47 2.17 -0.65 -0.54 0.00 0.00 174.62 175.10 1xk0 h PRO 193 N -1.26 0.00 0.05 3.99 0.11 -2.02 -0.07 132.00 132.80 1xk0 h PRO 193 Ca -0.44 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.59 1xk0 h PRO 193 Cb 1.24 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.36 1xk0 h PRO 193 CO 0.51 0.00 -0.33 0.00 -0.21 0.00 0.00 178.00 177.97 1xk0 h ALA 194 N 1.76 -0.02 -0.51 -0.75 0.00 -2.00 -2.95 119.26 114.78 1xk0 h ALA 194 Ca 0.03 -0.56 -0.07 0.00 0.00 0.00 0.00 54.91 54.31 1xk0 h ALA 194 Cb 0.32 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1xk0 h ALA 194 CO -0.00 0.14 0.04 0.28 0.00 0.00 0.00 179.25 179.72 1xk0 h VAL 195 N -0.67 1.24 -0.84 0.00 2.07 -1.69 -2.10 116.25 114.27 1xk0 h VAL 195 Ca -0.05 -0.96 0.01 0.00 0.82 0.00 0.00 66.70 66.52 1xk0 h VAL 195 Cb 1.21 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 1xk0 h VAL 195 CO 0.06 0.34 0.55 -0.09 0.02 0.00 0.00 177.57 178.46 1xk0 h ARG 196 N 0.78 1.09 -0.47 1.57 2.43 -1.13 0.55 114.38 119.20 1xk0 h ARG 196 Ca 0.16 -0.07 -0.12 0.00 -0.81 0.00 0.00 59.98 59.14 1xk0 h ARG 196 Cb 0.41 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1xk0 h ARG 196 CO 0.01 0.72 -0.18 0.37 -1.51 0.00 0.00 179.97 179.38 1xk0 h GLN 197 N 1.12 0.94 -0.53 0.20 4.15 -1.27 -1.03 115.11 118.69 1xk0 h GLN 197 Ca 0.31 -0.38 -0.10 0.00 0.77 0.00 0.00 58.65 59.26 1xk0 h GLN 197 Cb -0.11 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.52 1xk0 h GLN 197 CO -0.07 1.04 -0.05 0.00 -1.93 0.00 0.00 178.83 177.81 1xk0 h ARG 198 N 0.82 0.94 -0.61 1.69 3.08 -0.82 -0.17 114.38 119.32 1xk0 h ARG 198 Ca 0.12 -0.31 -0.04 0.00 0.07 0.00 0.00 59.98 59.82 1xk0 h ARG 198 Cb 0.74 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.68 1xk0 h ARG 198 CO 0.06 0.97 0.23 0.28 -1.07 0.00 0.00 179.97 180.43 1xk0 h VAL 199 N 0.86 1.23 -0.42 2.04 2.07 -0.69 0.62 116.25 121.96 1xk0 h VAL 199 Ca 0.15 -0.75 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 1xk0 h VAL 199 Cb 0.58 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1xk0 h VAL 199 CO 0.04 0.29 0.17 0.40 0.02 0.00 0.00 177.57 178.48 1xk0 h ILE 200 N 0.85 1.20 -0.52 4.57 1.08 -0.91 -1.42 117.51 122.37 1xk0 h ILE 200 Ca 0.20 -0.61 -0.00 0.00 -0.39 0.00 0.00 64.86 64.06 1xk0 h ILE 200 Cb 0.23 0.82 -0.03 0.00 -3.07 0.00 0.00 36.82 34.77 1xk0 h ILE 200 CO -0.01 0.22 0.32 -0.33 -0.69 0.00 0.00 178.15 177.66 1xk0 h GLU 201 N 0.54 0.70 -0.76 2.37 4.39 -0.66 -2.16 114.58 119.00 1xk0 h GLU 201 Ca 0.14 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.79 1xk0 h GLU 201 Cb 0.19 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.65 1xk0 h GLU 201 CO -0.01 0.50 0.50 1.49 -1.16 0.00 0.00 179.01 180.33 1xk0 h GLU 202 N 0.70 0.98 -0.42 2.33 4.57 -0.57 -0.13 114.58 122.04 1xk0 h GLU 202 Ca 0.19 -0.06 0.03 0.00 -1.18 0.00 0.00 59.36 58.34 1xk0 h GLU 202 Cb -0.03 -0.22 -0.04 0.00 -0.16 0.00 0.00 28.75 28.30 1xk0 h GLU 202 CO -0.04 0.65 0.21 0.00 -1.18 0.00 0.00 179.01 178.65 1xk0 h ALA 203 N 1.53 0.53 -0.33 2.92 0.00 -0.63 0.65 119.26 123.93 1xk0 h ALA 203 Ca 0.28 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.23 1xk0 h ALA 203 Cb -0.09 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1xk0 h ALA 203 CO -0.07 -0.15 0.17 0.87 0.00 0.00 0.00 179.25 180.07 1xk0 h LYS 204 N 0.42 0.35 -0.77 0.00 1.79 -0.83 -0.88 116.57 116.65 1xk0 h LYS 204 Ca 0.18 -0.02 0.04 0.00 -2.18 0.00 0.00 60.65 58.67 1xk0 h LYS 204 Cb 0.10 -0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 30.62 1xk0 h LYS 204 CO -0.13 0.23 0.51 1.15 -1.08 0.00 0.00 179.45 180.12 1xk0 h THR 205 N 0.36 1.10 -0.15 -0.16 2.02 0.22 0.66 112.91 116.96 1xk0 h THR 205 Ca 0.13 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 1xk0 h THR 205 Cb 0.03 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.54 1xk0 h THR 205 CO -0.08 0.17 0.03 0.00 0.37 0.00 0.00 175.52 176.01 1xk0 h ALA 206 N 1.56 0.20 -0.71 6.16 0.00 0.13 -1.07 119.26 125.53 1xk0 h ALA 206 Ca 0.31 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1xk0 h ALA 206 Cb 0.10 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1xk0 h ALA 206 CO -0.10 -0.16 0.46 0.74 0.00 0.00 0.00 179.25 180.19 1xk0 h PHE 207 N 0.04 0.86 -0.23 0.00 -1.00 -0.51 -2.34 116.94 113.76 1xk0 h PHE 207 Ca 0.05 0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.83 1xk0 h PHE 207 Cb 0.27 -0.29 -0.01 0.00 3.61 0.00 0.00 35.95 39.53 1xk0 h PHE 207 CO 0.01 0.52 0.07 -0.07 -1.61 0.00 0.00 178.31 177.23 1xk0 h LEU 208 N 0.91 0.28 -0.91 1.54 3.38 -0.59 -0.04 115.31 119.88 1xk0 h LEU 208 Ca 0.27 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 58.10 1xk0 h LEU 208 Cb -0.05 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1xk0 h LEU 208 CO -0.08 0.28 -0.54 -0.07 0.09 0.00 0.00 178.44 178.12 1xk0 h LEU 209 N 0.32 0.00 -0.05 1.67 3.38 -0.66 -1.62 115.31 118.35 1xk0 h LEU 209 Ca 0.08 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.87 1xk0 h LEU 209 Cb 0.10 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.86 1xk0 h LEU 209 CO -0.01 0.54 -0.66 0.78 0.09 0.00 0.00 178.44 179.18 1xk0 h ASN 210 N 0.00 0.66 0.17 -0.43 2.35 -0.97 -2.22 115.58 115.14 1xk0 h ASN 210 Ca -0.01 -0.71 0.00 0.00 -0.55 0.00 0.00 56.30 55.04 1xk0 h ASN 210 Cb 0.96 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 39.12 1xk0 h ASN 210 CO 0.07 1.28 -0.15 0.40 -1.65 0.00 0.00 177.43 177.37 1xk0 h ILE 211 N 0.11 0.67 0.00 2.81 2.04 -0.94 0.74 117.51 122.94 1xk0 h ILE 211 Ca -0.07 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 1xk0 h ILE 211 Cb 1.34 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 38.08 1xk0 h ILE 211 CO 0.13 0.00 -0.12 0.06 0.00 0.00 0.00 178.15 178.22 1xk0 h GLN 212 N -0.34 0.00 -0.14 2.37 3.07 -1.36 -1.56 115.11 117.15 1xk0 h GLN 212 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.62 1xk0 h GLN 212 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.88 1xk0 h GLN 212 CO -0.02 0.12 -0.37 1.25 0.09 0.00 0.00 178.83 179.89 1xk0 h LEU 213 N 0.00 0.57 -0.73 0.06 5.85 -0.70 -2.09 115.31 118.28 1xk0 h LEU 213 Ca -0.00 -0.59 0.06 0.00 0.84 0.00 0.00 57.88 58.19 1xk0 h LEU 213 Cb 0.37 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 1xk0 h LEU 213 CO 0.02 1.06 0.42 -0.26 -0.34 0.00 0.00 178.44 179.34 1xk0 h PHE 214 N 0.11 0.78 -0.62 1.25 0.04 -0.15 -0.12 116.94 118.23 1xk0 h PHE 214 Ca -0.01 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.74 1xk0 h PHE 214 Cb 0.99 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 38.87 1xk0 h PHE 214 CO 0.10 0.39 0.19 0.93 -0.60 0.00 0.00 178.31 179.32 1xk0 h GLU 215 N 0.78 0.97 -0.42 1.51 5.08 -1.27 0.01 114.58 121.25 1xk0 h GLU 215 Ca 0.32 -0.21 -0.06 0.00 -1.00 0.00 0.00 59.36 58.41 1xk0 h GLU 215 Cb 0.17 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1xk0 h GLU 215 CO -0.17 0.87 0.03 1.49 -1.00 0.00 0.00 179.01 180.22 1xk0 h GLU 216 N 0.90 0.72 -0.53 2.33 4.81 -0.83 0.19 114.58 122.17 1xk0 h GLU 216 Ca 0.20 -0.21 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 1xk0 h GLU 216 Cb 0.30 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1xk0 h GLU 216 CO -0.00 0.78 0.21 -0.07 -0.73 0.00 0.00 179.01 179.19 1xk0 h LEU 217 N 0.56 0.73 -0.10 1.64 3.38 -0.83 0.18 115.31 120.88 1xk0 h LEU 217 Ca 0.12 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1xk0 h LEU 217 Cb 0.44 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1xk0 h LEU 217 CO 0.02 0.71 0.02 -0.61 0.09 0.00 0.00 178.44 178.66 1xk0 h GLN 218 N 0.72 0.06 -0.46 1.13 5.75 -0.82 0.10 115.11 121.58 1xk0 h GLN 218 Ca 0.18 -0.00 0.09 0.00 -0.15 0.00 0.00 58.65 58.76 1xk0 h GLN 218 Cb 0.21 -0.01 -0.08 0.00 1.07 0.00 0.00 27.48 28.66 1xk0 h GLN 218 CO -0.01 0.04 -0.04 1.49 -2.65 0.00 0.00 178.83 177.65 1xk0 h GLU 219 N 0.06 0.07 -0.25 1.69 4.81 -0.47 -1.54 114.58 118.95 1xk0 h GLU 219 Ca 0.04 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 1xk0 h GLU 219 Cb 0.04 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1xk0 h GLU 219 CO -0.06 0.04 -0.04 -0.07 -0.73 0.00 0.00 179.01 178.16 1xk0 h LEU 220 N 0.07 0.35 -0.37 1.64 3.38 -0.02 -2.37 115.31 117.99 1xk0 h LEU 220 Ca 0.23 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1xk0 h LEU 220 Cb 0.35 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1xk0 h LEU 220 CO -0.42 0.44 -0.09 -0.07 0.09 0.00 0.00 178.44 178.39 1xk0 h LEU 221 N 0.36 0.00 0.18 1.67 3.38 -0.06 -3.28 115.31 117.57 1xk0 h LEU 221 Ca 0.08 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.71 1xk0 h LEU 221 Cb 0.31 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.06 1xk0 h LEU 221 CO 0.01 0.09 -1.67 0.74 0.09 0.00 0.00 178.44 177.70 1xk0 h THR 222 N 0.00 1.02 0.00 0.22 2.02 -0.88 -3.51 112.91 111.78 1xk0 h THR 222 Ca -0.00 -2.60 0.00 0.00 0.77 0.00 0.00 66.41 64.58 1xk0 h THR 222 Cb 0.94 2.79 0.00 0.00 -1.74 0.00 0.00 68.15 70.15 1xk0 h THR 222 CO 0.01 0.84 0.00 1.41 0.37 0.00 0.00 175.52 178.16