#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xk2 h GLN 11 N 0.00 -0.27 -6.81 -0.52 5.75 -2.01 -3.45 115.11 107.81 1xk2 h GLN 11 Ca 0.00 0.02 -0.51 0.00 -0.15 0.00 0.00 58.65 58.01 1xk2 h GLN 11 Cb 0.00 0.06 0.02 0.00 1.07 0.00 0.00 27.48 28.63 1xk2 h GLN 11 CO 0.00 -0.18 0.49 -0.51 -2.65 0.00 0.00 178.83 175.98 1xk2 s ASP 12 N -3.99 7.23 0.27 -0.69 1.01 -1.26 -4.91 116.67 114.33 1xk2 s ASP 12 Ca -0.04 2.30 -0.03 0.00 0.71 0.00 0.00 52.55 55.48 1xk2 s ASP 12 Cb 0.00 -2.63 0.37 0.00 1.01 0.00 0.00 42.92 41.67 1xk2 s ASP 12 CO 0.12 -0.17 1.91 0.25 0.21 0.00 0.00 175.17 177.49 1xk2 h LEU 13 N 3.81 1.07 -0.63 1.23 5.85 -1.89 0.53 115.31 125.29 1xk2 h LEU 13 Ca -0.47 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.12 1xk2 h LEU 13 Cb 1.21 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 1xk2 h LEU 13 CO 0.67 0.73 -0.19 0.77 -0.34 0.00 0.00 178.44 180.08 1xk2 h SER 14 N 1.23 0.89 0.06 1.25 4.64 -1.91 0.37 113.55 120.10 1xk2 h SER 14 Ca 0.39 -0.32 -0.16 0.00 -0.47 0.00 0.00 61.79 61.23 1xk2 h SER 14 Cb 0.01 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.85 1xk2 h SER 14 CO -0.12 1.06 -0.58 -0.08 -0.87 0.00 0.00 176.83 176.24 1xk2 h GLU 15 N 0.77 0.53 -0.11 4.77 4.81 -1.75 -1.80 114.58 121.79 1xk2 h GLU 15 Ca 0.11 -0.35 -0.02 0.00 -0.13 0.00 0.00 59.36 58.98 1xk2 h GLU 15 Cb 0.73 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.15 1xk2 h GLU 15 CO 0.06 0.96 0.01 0.00 -0.73 0.00 0.00 179.01 179.30 1xk2 h ALA 16 N 0.96 0.15 0.66 2.92 0.00 0.42 -2.61 119.26 121.76 1xk2 h ALA 16 Ca 0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1xk2 h ALA 16 Cb 1.13 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1xk2 h ALA 16 CO 0.11 -0.18 -0.44 -0.07 0.00 0.00 0.00 179.25 178.67 1xk2 h LEU 17 N -0.07 -1.12 -1.08 0.00 3.38 -0.21 -0.60 115.31 115.61 1xk2 h LEU 17 Ca 0.03 0.07 0.26 0.00 0.09 0.00 0.00 57.88 58.33 1xk2 h LEU 17 Cb 0.33 0.34 -0.12 0.00 0.09 0.00 0.00 40.66 41.29 1xk2 h LEU 17 CO 0.00 -0.66 0.61 0.50 0.09 0.00 0.00 178.44 178.99 1xk2 h LYS 18 N -1.04 0.50 0.13 1.13 3.64 -1.37 -0.79 116.57 118.77 1xk2 h LYS 18 Ca -0.08 -0.03 -0.28 0.00 -1.27 0.00 0.00 60.65 58.99 1xk2 h LYS 18 Cb 0.85 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 32.57 1xk2 h LYS 18 CO 0.06 0.33 -1.23 1.49 -2.27 0.00 0.00 179.45 177.83 1xk2 h GLU 19 N 0.51 0.36 0.00 1.90 4.22 -1.23 -3.17 114.58 117.18 1xk2 h GLU 19 Ca 0.65 -0.56 -0.02 0.00 0.08 0.00 0.00 59.36 59.51 1xk2 h GLU 19 Cb 1.35 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.80 1xk2 h GLU 19 CO -0.45 1.25 -0.09 0.00 -2.18 0.00 0.00 179.01 177.53 1xk2 h ALA 20 N 0.52 0.98 -0.49 2.92 0.00 0.08 -3.18 119.26 120.09 1xk2 h ALA 20 Ca -0.15 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1xk2 h ALA 20 Cb 1.93 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.71 1xk2 h ALA 20 CO 0.21 0.11 0.00 0.25 0.00 0.00 0.00 179.25 179.82 1xk2 n THR 21 N -3.17 1.33 -0.13 0.00 -2.24 -0.42 -4.54 114.28 105.12 1xk2 n THR 21 Ca 0.02 -1.15 -0.09 0.00 -2.27 0.00 0.00 64.05 60.56 1xk2 n THR 21 Cb 0.44 0.33 -0.00 0.00 -2.10 0.00 0.00 70.33 69.00 1xk2 n THR 21 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1xk2 h LYS 22 N 2.97 0.55 0.30 -0.78 3.11 -1.52 -1.33 116.57 119.87 1xk2 h LYS 22 Ca 0.00 -0.07 -0.00 0.00 -2.81 0.00 0.00 60.65 57.77 1xk2 h LYS 22 Cb 1.03 -0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 32.14 1xk2 h LYS 22 CO 0.08 0.45 -0.22 1.49 -2.81 0.00 0.00 179.45 178.43 1xk2 h GLU 23 N 0.50 -0.50 -0.09 1.90 4.81 -1.83 -2.35 114.58 117.03 1xk2 h GLU 23 Ca 0.14 0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.36 1xk2 h GLU 23 Cb 0.07 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1xk2 h GLU 23 CO -0.02 -0.34 -0.16 -0.39 -0.73 0.00 0.00 179.01 177.37 1xk2 h VAL 24 N -0.52 1.16 -0.20 0.32 -1.51 -1.84 -1.62 116.25 112.04 1xk2 h VAL 24 Ca -0.02 -0.75 -0.03 0.00 -1.23 0.00 0.00 66.70 64.68 1xk2 h VAL 24 Cb 0.46 1.28 -0.01 0.00 -2.13 0.00 0.00 31.29 30.89 1xk2 h VAL 24 CO -0.01 0.23 0.02 -0.74 -1.23 0.00 0.00 177.57 175.84 1xk2 h HIS 25 N 0.13 0.37 -0.82 5.19 -0.00 -1.01 0.30 115.15 119.31 1xk2 h HIS 25 Ca 0.03 -0.06 -0.02 0.00 -0.00 0.00 0.00 60.37 60.32 1xk2 h HIS 25 Cb 0.37 -0.10 -0.04 0.00 -0.00 0.00 0.00 27.41 27.64 1xk2 h HIS 25 CO 0.00 0.51 0.44 1.15 -0.00 0.00 0.00 177.93 180.03 1xk2 h THR 26 N 0.12 1.24 -0.91 6.26 2.02 -1.19 0.13 112.91 120.59 1xk2 h THR 26 Ca 0.06 -0.61 0.02 0.00 0.77 0.00 0.00 66.41 66.66 1xk2 h THR 26 Cb 0.35 0.14 -0.05 0.00 -1.74 0.00 0.00 68.15 66.85 1xk2 h THR 26 CO 0.01 0.27 0.60 -0.61 0.37 0.00 0.00 175.52 176.16 1xk2 h GLN 27 N 1.14 1.14 -0.25 6.66 4.15 -0.85 0.17 115.11 127.28 1xk2 h GLN 27 Ca 0.29 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.62 1xk2 h GLN 27 Cb 0.04 -0.26 -0.01 0.00 0.21 0.00 0.00 27.48 27.46 1xk2 h GLN 27 CO -0.05 0.76 0.07 0.00 -1.93 0.00 0.00 178.83 177.68 1xk2 h ALA 28 N 1.45 0.32 -0.19 3.38 0.00 0.21 -2.54 119.26 121.89 1xk2 h ALA 28 Ca 0.35 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1xk2 h ALA 28 Cb -0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1xk2 h ALA 28 CO -0.09 -0.03 -0.01 0.93 0.00 0.00 0.00 179.25 180.04 1xk2 h GLU 29 N 0.23 0.28 0.00 0.00 5.08 0.08 -2.54 114.58 117.70 1xk2 h GLU 29 Ca 0.08 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1xk2 h GLU 29 Cb 0.26 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 1xk2 h GLU 29 CO -0.00 0.32 -0.04 -0.91 -1.00 0.00 0.00 179.01 177.38 1xk2 h ASN 30 N 0.28 0.00 -2.20 1.42 2.35 -0.37 -3.33 115.58 113.72 1xk2 h ASN 30 Ca 0.06 0.00 -0.63 0.00 -0.55 0.00 0.00 56.30 55.19 1xk2 h ASN 30 Cb 0.21 0.00 0.09 0.00 0.05 0.00 0.00 38.32 38.67 1xk2 h ASN 30 CO 0.01 0.04 0.22 0.00 -1.65 0.00 0.00 177.43 176.05 1xk2 n ALA 31 N -2.11 -0.44 -0.12 -0.83 0.00 -0.96 -4.61 120.51 111.44 1xk2 n ALA 31 Ca 0.02 0.43 -0.08 0.00 0.00 0.00 0.00 53.44 53.81 1xk2 n ALA 31 Cb 0.42 -2.04 -0.02 0.00 0.00 0.00 0.00 19.45 17.82 1xk2 n ALA 31 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1xk2 h GLU 32 N 2.81 -0.26 -0.35 0.00 4.81 -1.90 0.65 114.58 120.34 1xk2 h GLU 32 Ca -0.41 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 58.90 1xk2 h GLU 32 Cb 1.34 0.06 -0.06 0.00 0.63 0.00 0.00 28.75 30.71 1xk2 h GLU 32 CO 0.66 -0.17 -0.06 0.35 -0.73 0.00 0.00 179.01 179.06 1xk2 h PHE 33 N -0.27 -0.13 0.00 0.92 3.57 -1.89 -0.81 116.94 118.34 1xk2 h PHE 33 Ca 0.17 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.62 1xk2 h PHE 33 Cb 0.55 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 1xk2 h PHE 33 CO -0.56 -0.12 -0.37 0.52 -2.23 0.00 0.00 178.31 175.54 1xk2 h MET 34 N 0.03 0.00 0.52 1.11 2.86 -1.59 -1.98 114.93 115.88 1xk2 h MET 34 Ca 0.17 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.78 1xk2 h MET 34 Cb 0.25 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.92 1xk2 h MET 34 CO -0.34 0.37 -0.25 0.00 1.06 0.00 0.00 176.91 177.75 1xk2 h ARG 35 N 0.00 -0.67 -0.94 1.72 3.08 0.14 -0.89 114.38 116.82 1xk2 h ARG 35 Ca -0.00 0.05 0.15 0.00 0.07 0.00 0.00 59.98 60.25 1xk2 h ARG 35 Cb 0.80 0.15 -0.08 0.00 0.08 0.00 0.00 29.97 30.93 1xk2 h ARG 35 CO 0.05 -0.37 0.60 -0.91 -1.07 0.00 0.00 179.97 178.27 1xk2 h ASN 36 N -1.02 0.72 -0.35 7.04 -0.26 -1.17 0.54 115.58 121.07 1xk2 h ASN 36 Ca -0.07 0.05 0.00 0.00 -0.56 0.00 0.00 56.30 55.72 1xk2 h ASN 36 Cb 0.61 -0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 37.77 1xk2 h ASN 36 CO 0.12 0.34 0.23 0.15 -1.06 0.00 0.00 177.43 177.20 1xk2 h PHE 37 N 0.75 0.45 -0.34 1.19 3.04 -1.11 0.58 116.94 121.49 1xk2 h PHE 37 Ca 0.49 0.01 -0.11 0.00 3.98 0.00 0.00 57.97 62.34 1xk2 h PHE 37 Cb 0.75 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 39.10 1xk2 h PHE 37 CO -0.00 0.30 -0.23 1.96 -2.02 0.00 0.00 178.31 178.32 1xk2 h GLN 38 N 0.47 0.66 -1.30 1.11 4.20 0.75 -2.45 115.11 118.55 1xk2 h GLN 38 Ca 0.13 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.58 1xk2 h GLN 38 Cb -0.03 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.72 1xk2 h GLN 38 CO -0.03 0.83 0.00 1.63 -0.67 0.00 0.00 178.83 180.60 1xk2 n LYS 39 N -4.11 0.87 -0.20 1.46 5.02 0.16 -4.74 118.16 116.61 1xk2 n LYS 39 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1xk2 n LYS 39 Cb 0.42 -1.06 0.00 0.00 -0.02 0.00 0.00 35.03 34.37 1xk2 n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xk2 n GLY 40 N 0.76 0.00 3.50 0.72 0.00 -0.92 -4.87 105.19 104.38 1xk2 n GLY 40 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1xk2 n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xk2 s GLN 41 N -0.40 3.23 -0.17 1.61 -0.21 0.20 -4.65 119.66 119.27 1xk2 s GLN 41 Ca 0.00 -0.44 -0.15 0.00 0.02 0.00 0.00 55.36 54.78 1xk2 s GLN 41 Cb 0.00 -4.14 0.04 0.00 1.00 0.00 0.00 33.01 29.91 1xk2 s GLN 41 CO 0.00 -1.75 0.44 0.54 -2.12 0.00 0.00 175.29 172.40 1xk2 s VAL 42 N 4.40 0.00 0.28 1.09 0.11 -1.26 -2.64 120.40 122.38 1xk2 s VAL 42 Ca 0.29 -0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.42 1xk2 s VAL 42 Cb -0.13 -0.62 -0.04 0.00 -1.53 0.00 0.00 36.38 34.06 1xk2 s VAL 42 CO 0.15 -0.00 0.14 0.42 -3.33 0.00 0.00 175.10 172.48 1xk2 s THR 43 N 0.22 3.80 0.23 5.04 -4.23 -1.26 -4.73 115.64 114.71 1xk2 s THR 43 Ca -0.00 -1.61 -0.06 0.00 -1.18 0.00 0.00 61.69 58.85 1xk2 s THR 43 Cb -0.03 -3.13 0.19 0.00 1.34 0.00 0.00 72.50 70.87 1xk2 s THR 43 CO 0.01 -0.31 1.77 0.03 -0.54 0.00 0.00 174.62 175.58 1xk2 h ARG 44 N 1.59 0.57 -0.70 3.99 2.47 -1.94 0.12 114.38 120.48 1xk2 h ARG 44 Ca -0.46 -0.03 -0.06 0.00 -1.26 0.00 0.00 59.98 58.16 1xk2 h ARG 44 Cb 1.25 -0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 29.41 1xk2 h ARG 44 CO 0.61 0.37 0.18 -0.44 0.56 0.00 0.00 179.97 181.25 1xk2 h ASP 45 N 0.58 1.04 0.07 7.04 3.32 -1.99 -0.66 116.42 125.82 1xk2 h ASP 45 Ca 0.37 -0.21 -0.15 0.00 0.02 0.00 0.00 57.03 57.06 1xk2 h ASP 45 Cb 0.44 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1xk2 h ASP 45 CO -0.30 0.99 -0.52 1.23 -1.72 0.00 0.00 179.24 178.92 1xk2 h GLY 46 N 1.08 0.54 1.75 2.75 0.00 -1.67 -2.75 103.07 104.78 1xk2 h GLY 46 Ca 0.22 -0.61 -0.16 0.00 0.00 0.00 0.00 47.33 46.78 1xk2 h GLY 46 CO -0.00 0.55 -0.67 -2.75 0.00 0.00 0.00 176.54 173.66 1xk2 h PHE 47 N 0.39 0.33 -0.64 5.60 3.57 -0.58 -2.65 116.94 122.97 1xk2 h PHE 47 Ca 0.01 -0.14 -0.07 0.00 3.53 0.00 0.00 57.97 61.31 1xk2 h PHE 47 Cb 1.04 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.70 1xk2 h PHE 47 CO 0.04 0.84 0.12 0.87 -2.23 0.00 0.00 178.31 177.95 1xk2 h LYS 48 N 0.17 1.04 -0.69 1.11 1.57 -1.03 -1.98 116.57 116.75 1xk2 h LYS 48 Ca -0.02 -0.27 -0.08 0.00 -1.87 0.00 0.00 60.65 58.42 1xk2 h LYS 48 Cb 1.21 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 33.37 1xk2 h LYS 48 CO 0.10 0.96 0.14 -0.07 -0.57 0.00 0.00 179.45 180.02 1xk2 h LEU 49 N 0.96 1.08 -0.80 2.94 3.38 -1.42 -0.33 115.31 121.12 1xk2 h LEU 49 Ca 0.19 -0.24 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 1xk2 h LEU 49 Cb 0.41 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1xk2 h LEU 49 CO 0.01 1.05 -0.32 -0.37 0.09 0.00 0.00 178.44 178.90 1xk2 h VAL 50 N 1.06 1.28 -0.25 1.22 -1.51 -1.23 -0.65 116.25 116.17 1xk2 h VAL 50 Ca 0.21 -1.42 -0.10 0.00 -1.23 0.00 0.00 66.70 64.17 1xk2 h VAL 50 Cb 0.41 1.44 -0.00 0.00 -2.13 0.00 0.00 31.29 31.00 1xk2 h VAL 50 CO 0.01 0.45 -0.25 0.24 -1.23 0.00 0.00 177.57 176.79 1xk2 h MET 51 N 0.45 0.60 -0.35 5.19 2.86 -1.09 -1.19 114.93 121.40 1xk2 h MET 51 Ca 0.05 -0.32 0.02 0.00 -2.06 0.00 0.00 59.70 57.40 1xk2 h MET 51 Cb 0.78 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.42 1xk2 h MET 51 CO 0.06 0.92 0.19 0.00 1.06 0.00 0.00 176.91 179.14 1xk2 h ALA 52 N 0.68 0.44 0.06 6.32 0.00 -0.93 -0.31 119.26 125.51 1xk2 h ALA 52 Ca 0.04 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1xk2 h ALA 52 Cb 0.80 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1xk2 h ALA 52 CO 0.06 -0.18 -0.19 0.77 0.00 0.00 0.00 179.25 179.72 1xk2 h SER 53 N 0.38 -0.54 -0.74 0.00 0.02 -1.03 -2.23 113.55 109.40 1xk2 h SER 53 Ca 0.14 0.07 0.12 0.00 -0.84 0.00 0.00 61.79 61.28 1xk2 h SER 53 Cb 0.04 0.22 -0.08 0.00 0.14 0.00 0.00 62.40 62.71 1xk2 h SER 53 CO -0.09 -0.26 0.35 -0.07 -1.14 0.00 0.00 176.83 175.62 1xk2 h LEU 54 N -0.34 0.42 -0.51 5.07 3.38 -0.72 -0.15 115.31 122.46 1xk2 h LEU 54 Ca 0.04 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.11 1xk2 h LEU 54 Cb 0.38 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1xk2 h LEU 54 CO -0.14 0.21 0.30 0.22 0.09 0.00 0.00 178.44 179.12 1xk2 h TYR 55 N 0.56 0.57 -0.61 1.13 3.20 -0.71 0.12 116.97 121.22 1xk2 h TYR 55 Ca 0.39 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.21 1xk2 h TYR 55 Cb 0.49 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.55 1xk2 h TYR 55 CO -0.12 0.33 0.15 0.45 -1.64 0.00 0.00 178.16 177.32 1xk2 h HIS 56 N 0.61 1.03 -0.18 -3.82 3.86 -0.64 -1.62 115.15 114.39 1xk2 h HIS 56 Ca 0.20 -0.12 -0.03 0.00 -1.16 0.00 0.00 60.37 59.26 1xk2 h HIS 56 Cb 0.01 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.19 1xk2 h HIS 56 CO -0.06 0.87 -0.01 0.82 0.86 0.00 0.00 177.93 180.41 1xk2 h ILE 57 N 0.90 1.26 -0.07 2.45 2.04 -0.71 -2.89 117.51 120.49 1xk2 h ILE 57 Ca 0.19 -0.90 -0.11 0.00 1.00 0.00 0.00 64.86 65.05 1xk2 h ILE 57 Cb 0.36 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 1xk2 h ILE 57 CO 0.00 0.27 -0.44 1.88 0.00 0.00 0.00 178.15 179.86 1xk2 h TYR 58 N 0.07 0.21 0.17 1.37 0.05 -0.74 -0.32 116.97 117.77 1xk2 h TYR 58 Ca 0.05 -0.06 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 1xk2 h TYR 58 Cb 0.41 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.11 1xk2 h TYR 58 CO 0.04 0.59 -0.08 0.28 -1.05 0.00 0.00 178.16 177.94 1xk2 h VAL 59 N 0.14 0.85 -0.27 -2.88 2.07 -1.28 0.51 116.25 115.40 1xk2 h VAL 59 Ca 0.01 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 1xk2 h VAL 59 Cb 0.85 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1xk2 h VAL 59 CO 0.07 0.02 0.09 0.00 0.02 0.00 0.00 177.57 177.76 1xk2 h ALA 60 N 0.55 0.35 -0.59 1.67 0.00 -1.39 -1.03 119.26 118.81 1xk2 h ALA 60 Ca -0.02 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1xk2 h ALA 60 Cb 0.21 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1xk2 h ALA 60 CO 0.04 -0.02 0.37 1.25 0.00 0.00 0.00 179.25 180.88 1xk2 h LEU 61 N 0.27 0.70 -0.41 0.00 5.85 -0.97 -1.93 115.31 118.82 1xk2 h LEU 61 Ca 0.09 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1xk2 h LEU 61 Cb 0.23 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 1xk2 h LEU 61 CO -0.00 0.54 -0.09 -0.33 -0.34 0.00 0.00 178.44 178.22 1xk2 h GLU 62 N 0.80 0.00 -0.27 1.25 5.08 -0.85 -1.70 114.58 118.90 1xk2 h GLU 62 Ca 0.21 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.45 1xk2 h GLU 62 Cb -0.04 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 1xk2 h GLU 62 CO -0.04 0.09 -0.30 1.49 -1.00 0.00 0.00 179.01 179.24 1xk2 h GLU 63 N 0.00 0.68 0.00 2.33 4.81 -0.83 -2.61 114.58 118.96 1xk2 h GLU 63 Ca -0.00 -0.37 -0.14 0.00 -0.13 0.00 0.00 59.36 58.71 1xk2 h GLU 63 Cb 0.93 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.31 1xk2 h GLU 63 CO 0.01 0.99 -0.68 0.93 -0.73 0.00 0.00 179.01 179.52 1xk2 h GLU 64 N 0.41 0.00 -0.44 1.92 4.39 -1.19 -3.01 114.58 116.66 1xk2 h GLU 64 Ca 0.04 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.62 1xk2 h GLU 64 Cb 0.88 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.52 1xk2 h GLU 64 CO 0.07 0.68 -0.21 0.82 -1.16 0.00 0.00 179.01 179.21 1xk2 h ILE 65 N 0.00 1.27 0.00 3.13 2.04 -1.27 -2.46 117.51 120.23 1xk2 h ILE 65 Ca -0.01 -1.35 -0.04 0.00 1.00 0.00 0.00 64.86 64.46 1xk2 h ILE 65 Cb 1.27 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 38.50 1xk2 h ILE 65 CO 0.09 0.46 -0.19 -0.33 0.00 0.00 0.00 178.15 178.18 1xk2 h GLU 66 N 0.76 0.00 0.00 2.37 4.39 -1.39 -0.23 114.58 120.48 1xk2 h GLU 66 Ca 0.10 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.67 1xk2 h GLU 66 Cb 0.76 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.39 1xk2 h GLU 66 CO 0.06 0.19 -0.63 -0.09 -1.16 0.00 0.00 179.01 177.38 1xk2 h ARG 67 N 0.00 0.00 -0.09 2.33 2.43 -1.34 -3.30 114.38 114.41 1xk2 h ARG 67 Ca -0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1xk2 h ARG 67 Cb 0.46 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1xk2 h ARG 67 CO 0.02 0.63 -0.13 0.09 -1.51 0.00 0.00 179.97 179.07 1xk2 n ASN 68 N -3.33 2.48 -0.33 -3.80 3.02 -0.90 -4.78 115.26 107.61 1xk2 n ASN 68 Ca 0.01 -3.36 0.00 0.00 -0.03 0.00 0.00 54.58 51.20 1xk2 n ASN 68 Cb 0.75 -0.50 0.14 0.00 -0.61 0.00 0.00 39.78 39.56 1xk2 n ASN 68 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 1xk2 h LYS 69 N 0.67 1.06 0.00 3.52 2.10 -1.14 -2.88 116.57 119.91 1xk2 h LYS 69 Ca 0.03 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1xk2 h LYS 69 Cb 1.16 -0.24 0.00 0.00 -0.90 0.00 0.00 32.23 32.25 1xk2 h LYS 69 CO 0.09 0.70 -0.77 0.39 -2.00 0.00 0.00 179.45 177.86 1xk2 n GLU 70 N -4.54 0.16 -1.80 0.07 1.02 -1.26 -3.50 120.64 110.79 1xk2 n GLU 70 Ca 0.13 0.01 -0.40 0.00 -0.02 0.00 0.00 57.16 56.88 1xk2 n GLU 70 Cb 0.14 -1.57 0.01 0.00 -0.02 0.00 0.00 31.44 30.00 1xk2 n GLU 70 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1xk2 s SER 71 N -3.56 6.05 0.15 1.62 0.15 -1.08 -4.69 113.70 112.34 1xk2 s SER 71 Ca 0.07 2.98 0.17 0.00 0.70 0.00 0.00 55.95 59.87 1xk2 s SER 71 Cb 0.15 -2.66 0.75 0.00 -1.71 0.00 0.00 66.02 62.55 1xk2 s SER 71 CO 0.76 -1.06 1.51 -2.65 1.20 0.00 0.00 173.24 173.00 1xk2 n PRO 72 N 0.06 0.10 0.05 5.44 -0.02 -1.26 -0.16 135.00 139.21 1xk2 n PRO 72 Ca 0.03 0.43 0.13 0.00 -2.02 0.00 0.00 63.50 62.07 1xk2 n PRO 72 Cb 0.41 -1.72 0.36 0.00 -0.02 0.00 0.00 33.50 32.53 1xk2 n PRO 72 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1xk2 n VAL 73 N -1.91 0.28 0.00 -1.45 0.24 -1.26 -4.52 118.33 109.72 1xk2 n VAL 73 Ca 0.01 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 1xk2 n VAL 73 Cb 0.14 -0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.22 1xk2 n VAL 73 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 1xk2 n PHE 74 N -1.91 0.00 -0.26 6.34 7.35 -0.78 -4.77 117.46 123.44 1xk2 n PHE 74 Ca 0.05 0.00 0.17 0.00 -0.76 0.00 0.00 57.45 56.91 1xk2 n PHE 74 Cb 0.40 0.00 0.32 0.00 0.35 0.00 0.00 39.48 40.55 1xk2 n PHE 74 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1xk2 n ALA 75 N -1.47 0.56 -0.11 3.13 0.00 0.78 -0.29 120.51 123.11 1xk2 n ALA 75 Ca 0.00 0.80 0.12 0.00 0.00 0.00 0.00 53.44 54.37 1xk2 n ALA 75 Cb 0.15 -0.68 0.49 0.00 0.00 0.00 0.00 19.45 19.42 1xk2 n ALA 75 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1xk2 h PRO 76 N 0.00 0.42 -0.50 0.00 0.11 -1.83 -2.14 132.00 128.05 1xk2 h PRO 76 Ca 0.55 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 66.48 1xk2 h PRO 76 Cb 1.29 -0.10 -0.09 0.00 0.11 0.00 0.00 31.00 32.22 1xk2 h PRO 76 CO -0.66 0.28 0.11 1.33 -0.21 0.00 0.00 178.00 178.85 1xk2 n VAL 77 N -4.47 2.65 -2.86 3.15 0.24 0.60 -4.82 118.33 112.81 1xk2 n VAL 77 Ca 0.11 -1.99 -0.43 0.00 -2.04 0.00 0.00 64.34 59.99 1xk2 n VAL 77 Cb 0.40 -0.32 -0.04 0.00 -1.47 0.00 0.00 33.84 32.41 1xk2 n VAL 77 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1xk2 s TYR 78 N -3.01 2.86 -0.46 6.34 5.04 -0.81 -4.93 117.35 122.38 1xk2 s TYR 78 Ca 0.49 0.11 0.06 0.00 -2.44 0.00 0.00 57.07 55.29 1xk2 s TYR 78 Cb 0.40 -3.97 0.22 0.00 0.35 0.00 0.00 41.96 38.96 1xk2 s TYR 78 CO 0.09 -1.22 0.50 1.19 -1.34 0.00 0.00 175.55 174.76 1xk2 n PHE 79 N 7.25 0.38 -0.09 4.97 3.72 -1.26 -5.02 117.46 127.42 1xk2 n PHE 79 Ca 0.03 -3.64 -0.09 0.00 -0.05 0.00 0.00 57.45 53.70 1xk2 n PHE 79 Cb 0.48 -0.22 -0.01 0.00 -0.94 0.00 0.00 39.48 38.78 1xk2 n PHE 79 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1xk2 h PRO 80 N 4.64 0.39 -0.35 -1.08 0.13 -1.98 -2.28 132.00 131.47 1xk2 h PRO 80 Ca 0.16 -0.02 -0.13 0.00 -0.87 0.00 0.00 66.00 65.13 1xk2 h PRO 80 Cb 0.84 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.88 1xk2 h PRO 80 CO 0.51 0.26 -0.33 0.93 -0.23 0.00 0.00 178.00 179.14 1xk2 h GLU 81 N 0.40 0.77 -0.25 0.86 4.39 -1.96 -1.51 114.58 117.27 1xk2 h GLU 81 Ca 0.12 -0.36 -0.18 0.00 0.34 0.00 0.00 59.36 59.27 1xk2 h GLU 81 Cb -0.02 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1xk2 h GLU 81 CO -0.04 0.99 -0.56 0.93 -1.16 0.00 0.00 179.01 179.16 1xk2 h GLU 82 N 0.65 0.78 0.00 2.33 3.07 -1.81 -3.40 114.58 116.19 1xk2 h GLU 82 Ca 0.07 -0.50 0.00 0.00 -0.50 0.00 0.00 59.36 58.43 1xk2 h GLU 82 Cb 0.86 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.84 1xk2 h GLU 82 CO 0.08 1.13 -1.56 1.28 -1.40 0.00 0.00 179.01 178.54 1xk2 n LEU 83 N -3.99 0.01 -4.60 1.33 4.77 -0.86 -4.60 117.00 109.06 1xk2 n LEU 83 Ca -0.04 -0.01 -0.51 0.00 -0.03 0.00 0.00 56.01 55.42 1xk2 n LEU 83 Cb 0.63 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.67 1xk2 n LEU 83 CO 0.50 0.00 0.93 0.00 -1.33 0.00 0.00 177.39 177.49 1xk2 n HIS 84 N -1.93 1.62 -0.00 -1.77 1.44 -0.57 -4.87 115.22 109.14 1xk2 n HIS 84 Ca -0.02 0.58 0.03 0.00 -2.01 0.00 0.00 57.72 56.30 1xk2 n HIS 84 Cb 0.33 -2.36 -0.06 0.00 0.12 0.00 0.00 29.99 28.02 1xk2 n HIS 84 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1xk2 n ARG 85 N 2.57 0.33 -0.09 -1.40 5.12 -1.26 -4.79 116.66 117.14 1xk2 n ARG 85 Ca 0.18 -0.06 -0.09 0.00 -1.93 0.00 0.00 57.85 55.94 1xk2 n ARG 85 Cb 0.21 -1.17 -0.03 0.00 -1.16 0.00 0.00 32.46 30.31 1xk2 n ARG 85 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 1xk2 h LYS 86 N 0.00 -0.29 -0.58 5.56 3.64 -1.89 -0.53 116.57 122.47 1xk2 h LYS 86 Ca -0.01 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.47 1xk2 h LYS 86 Cb 0.38 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.20 1xk2 h LYS 86 CO 0.00 -0.20 0.24 0.00 -2.27 0.00 0.00 179.45 177.22 1xk2 h ALA 87 N 0.61 0.75 -0.97 5.00 0.00 -2.00 0.53 119.26 123.20 1xk2 h ALA 87 Ca 0.15 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1xk2 h ALA 87 Cb 0.55 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 1xk2 h ALA 87 CO -0.49 -0.16 0.64 0.00 0.00 0.00 0.00 179.25 179.24 1xk2 h ALA 88 N 1.38 1.23 -0.10 0.00 0.00 -1.66 -1.77 119.26 118.34 1xk2 h ALA 88 Ca 0.28 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 1xk2 h ALA 88 Cb 0.31 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1xk2 h ALA 88 CO -0.26 0.60 -0.54 -0.07 0.00 0.00 0.00 179.25 178.98 1xk2 h LEU 89 N 1.30 0.32 -0.29 0.00 3.38 -0.15 -1.82 115.31 118.04 1xk2 h LEU 89 Ca 0.36 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1xk2 h LEU 89 Cb -0.13 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1xk2 h LEU 89 CO -0.08 0.80 0.15 -0.33 0.09 0.00 0.00 178.44 179.06 1xk2 h GLU 90 N 0.22 0.41 -0.55 1.13 5.08 -0.31 0.10 114.58 120.67 1xk2 h GLU 90 Ca 0.00 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1xk2 h GLU 90 Cb 1.02 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.15 1xk2 h GLU 90 CO 0.09 0.37 0.30 1.96 -1.00 0.00 0.00 179.01 180.73 1xk2 h GLN 91 N 0.34 0.56 -0.32 2.33 1.08 -1.18 -2.47 115.11 115.46 1xk2 h GLN 91 Ca 0.10 -0.03 -0.05 0.00 -1.45 0.00 0.00 58.65 57.22 1xk2 h GLN 91 Cb 0.09 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.38 1xk2 h GLN 91 CO -0.01 0.37 0.01 -0.44 -0.95 0.00 0.00 178.83 177.81 1xk2 h ASP 92 N 0.58 0.54 0.36 1.46 3.45 -0.87 -2.95 116.42 118.99 1xk2 h ASP 92 Ca 0.24 -0.30 -0.04 0.00 0.43 0.00 0.00 57.03 57.36 1xk2 h ASP 92 Cb 0.12 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 38.74 1xk2 h ASP 92 CO -0.15 0.70 -0.21 -0.07 -1.57 0.00 0.00 179.24 177.95 1xk2 h LEU 93 N 0.36 0.00 -1.03 1.55 3.38 -0.71 -0.52 115.31 118.34 1xk2 h LEU 93 Ca 0.09 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 1xk2 h LEU 93 Cb 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1xk2 h LEU 93 CO 0.01 0.21 -0.41 0.00 0.09 0.00 0.00 178.44 178.34 1xk2 h ALA 94 N 1.79 1.19 0.00 1.53 0.00 -1.27 0.30 119.26 122.80 1xk2 h ALA 94 Ca -0.00 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1xk2 h ALA 94 Cb 0.44 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1xk2 h ALA 94 CO 0.03 0.56 -0.00 0.35 0.00 0.00 0.00 179.25 180.19 1xk2 h PHE 95 N 0.12 -0.00 -0.54 0.00 3.57 -1.16 -1.57 116.94 117.35 1xk2 h PHE 95 Ca 0.01 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.39 1xk2 h PHE 95 Cb 0.79 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.51 1xk2 h PHE 95 CO 0.01 0.85 -0.12 -1.49 -2.23 0.00 0.00 178.31 175.32 1xk2 h TRP 96 N -0.85 1.15 0.00 0.41 4.06 -1.09 -3.33 115.95 116.30 1xk2 h TRP 96 Ca -0.00 -0.24 0.00 0.00 2.06 0.00 0.00 58.89 60.71 1xk2 h TRP 96 Cb 0.85 -0.28 0.00 0.00 -1.00 0.00 0.00 29.16 28.72 1xk2 h TRP 96 CO 0.22 1.07 -0.81 0.66 -3.56 0.00 0.00 178.44 176.02 1xk2 n TYR 97 N -4.14 0.00 0.00 0.49 4.01 0.09 -5.09 117.16 112.52 1xk2 n TYR 97 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1xk2 n TYR 97 Cb 0.41 -0.06 0.00 0.00 -0.31 0.00 0.00 39.34 39.38 1xk2 n TYR 97 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xk2 n GLY 98 N 1.39 0.43 0.34 2.72 0.00 -0.59 -4.35 105.19 105.13 1xk2 n GLY 98 Ca 0.01 -2.02 0.17 0.00 0.00 0.00 0.00 46.02 44.19 1xk2 n GLY 98 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1xk2 h PRO 99 N 0.00 0.00 -0.61 1.61 0.11 -1.91 -1.16 132.00 130.04 1xk2 h PRO 99 Ca 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.02 1xk2 h PRO 99 Cb 0.00 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.06 1xk2 h PRO 99 CO 0.00 0.00 0.10 0.54 -0.21 0.00 0.00 178.00 178.43 1xk2 n ARG 100 N -3.73 4.22 -0.34 1.05 1.74 -1.26 -4.65 116.66 113.69 1xk2 n ARG 100 Ca 0.02 -3.12 0.20 0.00 -0.77 0.00 0.00 57.85 54.19 1xk2 n ARG 100 Cb 0.34 -2.21 0.44 0.00 -1.02 0.00 0.00 32.46 30.02 1xk2 n ARG 100 CO 0.00 0.00 0.00 0.11 -1.52 0.00 0.00 177.63 176.22 1xk2 h TRP 101 N 3.23 0.87 0.00 -1.55 5.08 -1.40 0.14 115.95 122.31 1xk2 h TRP 101 Ca 0.11 0.03 -0.02 0.00 1.08 0.00 0.00 58.89 60.09 1xk2 h TRP 101 Cb 2.07 -0.25 -0.00 0.00 -3.00 0.00 0.00 29.16 27.98 1xk2 h TRP 101 CO 1.12 0.04 -0.09 1.96 -1.28 0.00 0.00 178.44 180.19 1xk2 h GLN 102 N 0.48 0.00 0.09 0.12 1.08 -1.86 0.66 115.11 115.69 1xk2 h GLN 102 Ca 0.64 0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 57.52 1xk2 h GLN 102 Cb 1.40 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.81 1xk2 h GLN 102 CO -0.42 0.09 -1.69 0.93 -0.95 0.00 0.00 178.83 176.79 1xk2 h GLU 103 N 0.00 0.19 0.00 1.46 5.08 -1.11 -3.40 114.58 116.79 1xk2 h GLU 103 Ca -0.00 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1xk2 h GLU 103 Cb 0.26 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1xk2 h GLU 103 CO 0.01 0.98 -1.86 1.33 -1.00 0.00 0.00 179.01 178.47 1xk2 n VAL 104 N -3.36 0.02 -1.74 3.13 0.24 -1.00 -4.98 118.33 110.64 1xk2 n VAL 104 Ca -0.20 -0.45 -0.41 0.00 -2.04 0.00 0.00 64.34 61.23 1xk2 n VAL 104 Cb 1.04 0.09 0.00 0.00 -1.47 0.00 0.00 33.84 33.50 1xk2 n VAL 104 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 1xk2 n ILE 105 N -2.20 2.17 -2.14 1.34 -5.35 0.20 -4.94 119.36 108.43 1xk2 n ILE 105 Ca -0.03 -0.50 -0.33 0.00 -0.27 0.00 0.00 62.75 61.62 1xk2 n ILE 105 Cb 0.55 -1.77 -0.00 0.00 -1.74 0.00 0.00 39.64 36.68 1xk2 n ILE 105 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 1xk2 s PRO 106 N -2.08 3.46 -0.36 6.28 0.04 -1.26 -5.03 135.00 136.05 1xk2 s PRO 106 Ca 0.56 1.17 0.01 0.00 0.04 0.00 0.00 61.00 62.78 1xk2 s PRO 106 Cb -0.51 -2.06 0.15 0.00 0.04 0.00 0.00 34.50 32.12 1xk2 s PRO 106 CO 0.62 -0.69 0.27 -0.47 0.04 0.00 0.00 177.00 176.77 1xk2 s TYR 107 N -2.46 0.51 0.65 0.56 5.04 -1.26 -4.82 117.35 115.56 1xk2 s TYR 107 Ca 0.63 -1.52 -0.08 0.00 -2.44 0.00 0.00 57.07 53.65 1xk2 s TYR 107 Cb -0.15 -0.78 0.01 0.00 0.35 0.00 0.00 41.96 41.39 1xk2 s TYR 107 CO 0.35 -0.86 0.99 0.95 -1.34 0.00 0.00 175.55 175.64 1xk2 s THR 108 N 1.03 3.54 0.21 4.34 -4.23 -1.26 -4.90 115.64 114.37 1xk2 s THR 108 Ca 0.20 0.21 -0.09 0.00 -1.18 0.00 0.00 61.69 60.83 1xk2 s THR 108 Cb -0.18 -3.45 0.15 0.00 1.34 0.00 0.00 72.50 70.36 1xk2 s THR 108 CO -0.02 -0.53 1.80 -0.65 -0.54 0.00 0.00 174.62 174.68 1xk2 h PRO 109 N -0.41 0.66 -0.27 3.99 0.11 -2.01 -0.69 132.00 133.38 1xk2 h PRO 109 Ca -0.45 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 1xk2 h PRO 109 Cb 1.26 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1xk2 h PRO 109 CO 0.62 0.43 -0.03 0.00 -0.21 0.00 0.00 178.00 178.81 1xk2 h ALA 110 N 1.37 1.44 -0.19 -0.75 0.00 -1.94 -1.27 119.26 117.91 1xk2 h ALA 110 Ca 0.31 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 1xk2 h ALA 110 Cb 0.23 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1xk2 h ALA 110 CO -0.20 0.39 -0.57 0.52 0.00 0.00 0.00 179.25 179.39 1xk2 h MET 111 N 0.40 0.61 0.00 0.00 2.86 -1.71 -3.03 114.93 114.06 1xk2 h MET 111 Ca 0.09 -0.40 -0.08 0.00 -2.06 0.00 0.00 59.70 57.25 1xk2 h MET 111 Cb 0.32 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 1xk2 h MET 111 CO 0.01 1.01 -0.40 1.96 1.06 0.00 0.00 176.91 180.55 1xk2 h GLN 112 N 0.46 0.00 -0.33 1.72 4.20 -0.64 -1.16 115.11 119.37 1xk2 h GLN 112 Ca 0.00 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.60 1xk2 h GLN 112 Cb 1.13 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.91 1xk2 h GLN 112 CO 0.11 0.40 -0.23 -0.09 -0.67 0.00 0.00 178.83 178.35 1xk2 h ARG 113 N 0.00 0.73 0.26 1.46 2.43 -1.16 0.09 114.38 118.19 1xk2 h ARG 113 Ca -0.00 -0.35 -0.01 0.00 -0.81 0.00 0.00 59.98 58.80 1xk2 h ARG 113 Cb 0.73 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 1xk2 h ARG 113 CO 0.05 0.96 -0.12 -0.92 -1.51 0.00 0.00 179.97 178.43 1xk2 h TYR 114 N 0.50 -0.32 -0.79 2.20 5.03 -1.39 -2.34 116.97 119.86 1xk2 h TYR 114 Ca 0.06 -0.01 0.10 0.00 2.58 0.00 0.00 58.73 61.47 1xk2 h TYR 114 Cb 0.78 0.11 -0.05 0.00 1.55 0.00 0.00 36.73 39.12 1xk2 h TYR 114 CO 0.06 -0.06 0.52 0.28 -1.32 0.00 0.00 178.16 177.64 1xk2 h VAL 115 N -0.55 0.92 -0.27 1.81 2.07 -1.19 -2.03 116.25 117.01 1xk2 h VAL 115 Ca -0.04 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 1xk2 h VAL 115 Cb 0.40 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1xk2 h VAL 115 CO 0.06 0.13 -0.08 0.50 0.02 0.00 0.00 177.57 178.19 1xk2 h LYS 116 N 0.69 0.54 -0.43 1.57 3.64 -0.80 -2.37 116.57 119.40 1xk2 h LYS 116 Ca 0.37 -0.21 -0.07 0.00 -1.27 0.00 0.00 60.65 59.47 1xk2 h LYS 116 Cb 0.50 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1xk2 h LYS 116 CO -0.14 0.76 -0.00 -0.09 -2.27 0.00 0.00 179.45 177.70 1xk2 h ARG 117 N 0.29 0.70 0.03 1.90 9.65 -1.00 -1.46 114.38 124.49 1xk2 h ARG 117 Ca 0.07 -0.18 -0.00 0.00 -1.10 0.00 0.00 59.98 58.77 1xk2 h ARG 117 Cb 0.57 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.06 1xk2 h ARG 117 CO 0.03 0.72 -0.01 -0.07 2.80 0.00 0.00 179.97 183.43 1xk2 h LEU 118 N 0.66 -0.03 -1.21 3.80 3.38 -1.29 -0.50 115.31 120.12 1xk2 h LEU 118 Ca 0.13 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 1xk2 h LEU 118 Cb 0.41 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1xk2 h LEU 118 CO 0.02 0.01 -0.18 0.45 0.09 0.00 0.00 178.44 178.83 1xk2 h HIS 119 N -0.07 0.35 0.02 1.13 3.86 -1.24 -0.18 115.15 119.01 1xk2 h HIS 119 Ca -0.00 -0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.15 1xk2 h HIS 119 Cb 0.06 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.44 1xk2 h HIS 119 CO -0.07 0.49 -0.01 0.93 0.86 0.00 0.00 177.93 180.14 1xk2 h GLU 120 N 0.30 -0.03 -0.56 2.45 5.08 -0.96 0.11 114.58 120.98 1xk2 h GLU 120 Ca 0.05 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1xk2 h GLU 120 Cb 0.49 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 1xk2 h GLU 120 CO 0.03 0.28 0.28 0.28 -1.00 0.00 0.00 179.01 178.87 1xk2 h VAL 121 N -0.34 1.20 0.00 3.13 2.07 -0.96 0.94 116.25 122.30 1xk2 h VAL 121 Ca -0.00 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1xk2 h VAL 121 Cb 0.32 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1xk2 h VAL 121 CO 0.01 0.23 -0.05 1.23 0.02 0.00 0.00 177.57 179.01 1xk2 h GLY 122 N 0.76 0.00 0.00 2.17 0.00 -0.93 0.06 103.07 105.13 1xk2 h GLY 122 Ca 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.38 1xk2 h GLY 122 CO -0.03 0.00 -1.90 0.54 0.00 0.00 0.00 176.54 175.16 1xk2 n ARG 123 N -3.18 1.05 0.00 4.80 1.74 0.02 -4.63 116.66 116.46 1xk2 n ARG 123 Ca -0.00 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 1xk2 n ARG 123 Cb 0.29 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 1xk2 n ARG 123 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1xk2 n THR 124 N -2.33 0.00 -2.81 0.55 -2.24 0.29 -4.87 114.28 102.87 1xk2 n THR 124 Ca -0.14 -0.22 -0.11 0.00 -2.27 0.00 0.00 64.05 61.31 1xk2 n THR 124 Cb 0.72 1.47 0.05 0.00 -2.10 0.00 0.00 70.33 70.47 1xk2 n THR 124 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xk2 n GLU 125 N -0.07 1.09 -0.39 -0.78 1.02 -0.10 -4.99 120.64 116.42 1xk2 n GLU 125 Ca 0.00 -2.74 0.31 0.00 -0.02 0.00 0.00 57.16 54.71 1xk2 n GLU 125 Cb 0.12 -1.05 0.59 0.00 -0.02 0.00 0.00 31.44 31.07 1xk2 n GLU 125 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1xk2 h PRO 126 N 2.77 0.20 0.00 3.49 0.11 -1.51 0.18 132.00 137.24 1xk2 h PRO 126 Ca -0.09 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.01 1xk2 h PRO 126 Cb 1.14 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1xk2 h PRO 126 CO 0.31 0.13 0.00 -0.85 -0.21 0.00 0.00 178.00 177.38 1xk2 n GLU 127 N -4.71 0.06 0.00 1.05 0.00 -1.26 -1.66 120.64 114.12 1xk2 n GLU 127 Ca 0.33 0.28 0.08 0.00 0.00 0.00 0.00 57.16 57.85 1xk2 n GLU 127 Cb 1.20 -1.50 -0.09 0.00 0.00 0.00 0.00 31.44 31.05 1xk2 n GLU 127 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1xk2 n LEU 128 N -1.39 0.81 -0.31 -1.84 4.77 0.62 -4.49 117.00 115.18 1xk2 n LEU 128 Ca 0.03 -0.51 0.05 0.00 -0.03 0.00 0.00 56.01 55.55 1xk2 n LEU 128 Cb 0.08 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.42 1xk2 n LEU 128 CO 0.07 0.20 1.25 0.25 -1.33 0.00 0.00 177.39 177.83 1xk2 h LEU 129 N 0.05 0.90 -2.28 2.23 5.85 -1.39 -0.14 115.31 120.52 1xk2 h LEU 129 Ca 0.00 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.78 1xk2 h LEU 129 Cb 0.40 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1xk2 h LEU 129 CO 0.00 0.56 0.18 1.62 -0.34 0.00 0.00 178.44 180.46 1xk2 h VAL 130 N 1.01 0.41 -0.08 1.05 3.04 -1.79 0.15 116.25 120.05 1xk2 h VAL 130 Ca 0.41 0.00 -0.13 0.00 -1.01 0.00 0.00 66.70 65.96 1xk2 h VAL 130 Cb 0.26 0.85 -0.01 0.00 -2.01 0.00 0.00 31.29 30.38 1xk2 h VAL 130 CO -0.16 0.00 -0.55 0.00 -1.01 0.00 0.00 177.57 175.85 1xk2 h ALA 131 N 1.77 0.93 0.13 3.17 0.00 -1.31 -1.84 119.26 122.11 1xk2 h ALA 131 Ca 0.07 -0.50 -0.31 0.00 0.00 0.00 0.00 54.91 54.16 1xk2 h ALA 131 Cb 0.43 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1xk2 h ALA 131 CO -0.00 0.69 -1.55 0.45 0.00 0.00 0.00 179.25 178.84 1xk2 h HIS 132 N 0.18 0.50 -0.47 0.00 -0.00 -1.07 -2.94 115.15 111.36 1xk2 h HIS 132 Ca 0.00 -0.37 -0.07 0.00 -0.00 0.00 0.00 60.37 59.93 1xk2 h HIS 132 Cb 1.02 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 28.39 1xk2 h HIS 132 CO 0.02 1.42 -0.01 0.00 -0.00 0.00 0.00 177.93 179.36 1xk2 h ALA 133 N 0.44 1.10 0.68 2.45 0.00 -1.32 -1.49 119.26 121.12 1xk2 h ALA 133 Ca -0.25 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 1xk2 h ALA 133 Cb 2.03 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 19.64 1xk2 h ALA 133 CO 0.17 0.57 -0.33 -0.92 0.00 0.00 0.00 179.25 178.74 1xk2 h TYR 134 N 0.73 -0.84 -0.57 0.00 3.20 -1.42 -1.09 116.97 116.97 1xk2 h TYR 134 Ca 0.14 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.07 1xk2 h TYR 134 Cb 0.46 0.28 -0.06 0.00 1.54 0.00 0.00 36.73 38.95 1xk2 h TYR 134 CO 0.02 -0.50 0.23 1.15 -1.64 0.00 0.00 178.16 177.42 1xk2 h THR 135 N -1.01 0.82 0.00 1.81 2.02 -1.39 -2.18 112.91 112.97 1xk2 h THR 135 Ca -0.09 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1xk2 h THR 135 Cb 0.72 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1xk2 h THR 135 CO 0.15 0.08 0.00 0.54 0.37 0.00 0.00 175.52 176.66 1xk2 n ARG 136 N -4.97 0.00 -0.01 6.66 5.12 -0.57 -3.13 116.66 119.76 1xk2 n ARG 136 Ca 0.07 0.38 -0.11 0.00 -1.93 0.00 0.00 57.85 56.27 1xk2 n ARG 136 Cb 0.23 -0.97 -0.04 0.00 -1.16 0.00 0.00 32.46 30.52 1xk2 n ARG 136 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 1xk2 h TYR 137 N 0.00 -0.97 -0.58 -1.55 0.05 -1.31 0.11 116.97 112.72 1xk2 h TYR 137 Ca 0.00 0.04 -0.09 0.00 0.05 0.00 0.00 58.73 58.73 1xk2 h TYR 137 Cb 0.00 0.45 -0.02 0.00 1.01 0.00 0.00 36.73 38.17 1xk2 h TYR 137 CO 0.03 -0.42 -0.00 -0.07 -1.05 0.00 0.00 178.16 176.65 1xk2 h LEU 138 N -0.40 0.98 -0.07 3.88 4.07 -1.47 -1.59 115.31 120.71 1xk2 h LEU 138 Ca 0.10 -0.27 -0.00 0.00 0.08 0.00 0.00 57.88 57.79 1xk2 h LEU 138 Cb 0.57 -0.26 -0.00 0.00 1.08 0.00 0.00 40.66 42.04 1xk2 h LEU 138 CO -0.39 1.03 0.03 1.23 -1.08 0.00 0.00 178.44 179.26 1xk2 h GLY 139 N 1.00 0.11 2.00 0.83 0.00 -1.42 -1.90 103.07 103.69 1xk2 h GLY 139 Ca 0.17 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1xk2 h GLY 139 CO 0.03 0.06 0.00 -0.55 0.00 0.00 0.00 176.54 176.08 1xk2 h ASP 140 N -0.06 0.00 0.15 0.19 3.32 -0.72 -1.68 116.42 117.62 1xk2 h ASP 140 Ca 0.02 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.79 1xk2 h ASP 140 Cb 0.18 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.74 1xk2 h ASP 140 CO -0.00 0.00 -1.40 0.25 -1.72 0.00 0.00 179.24 176.37 1xk2 h LEU 141 N 0.00 0.50 0.00 1.55 5.85 -1.07 -1.74 115.31 120.40 1xk2 h LEU 141 Ca 0.00 -0.90 -0.13 0.00 0.84 0.00 0.00 57.88 57.69 1xk2 h LEU 141 Cb 0.42 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1xk2 h LEU 141 CO 0.00 1.63 -0.90 0.77 -0.34 0.00 0.00 178.44 179.60 1xk2 h SER 142 N -0.18 0.00 -0.01 1.25 4.64 -1.33 -3.32 113.55 114.60 1xk2 h SER 142 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1xk2 h SER 142 Cb 1.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.95 1xk2 h SER 142 CO 0.12 0.54 -0.16 0.61 -0.87 0.00 0.00 176.83 177.07 1xk2 n GLY 143 N 1.30 0.01 0.31 -0.77 0.00 -0.64 -4.70 105.19 100.70 1xk2 n GLY 143 Ca -0.03 -0.43 -0.10 0.00 0.00 0.00 0.00 46.02 45.47 1xk2 n GLY 143 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xk2 h GLY 144 N 3.07 -0.33 0.47 -0.02 0.00 -1.41 -2.52 103.07 102.32 1xk2 h GLY 144 Ca 0.00 0.36 0.05 0.00 0.00 0.00 0.00 47.33 47.74 1xk2 h GLY 144 CO 0.00 -0.21 -0.07 1.46 0.00 0.00 0.00 176.54 177.72 1xk2 h GLN 145 N -0.34 -0.01 -0.96 4.80 7.50 -1.83 0.17 115.11 124.45 1xk2 h GLN 145 Ca 0.11 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.26 1xk2 h GLN 145 Cb 0.51 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 28.00 1xk2 h GLN 145 CO -0.37 -0.00 0.59 -0.39 -1.50 0.00 0.00 178.83 177.16 1xk2 h VAL 146 N -0.01 1.26 -0.26 -0.54 -1.51 -1.87 0.15 116.25 113.47 1xk2 h VAL 146 Ca 0.13 -0.55 -0.13 0.00 -1.23 0.00 0.00 66.70 64.91 1xk2 h VAL 146 Cb 0.20 -0.10 -0.01 0.00 -2.13 0.00 0.00 31.29 29.25 1xk2 h VAL 146 CO -0.27 0.27 -0.39 -0.07 -1.23 0.00 0.00 177.57 175.87 1xk2 h LEU 147 N 1.32 0.65 -0.06 4.19 3.38 -1.00 -2.89 115.31 120.89 1xk2 h LEU 147 Ca 0.34 -0.29 -0.12 0.00 0.09 0.00 0.00 57.88 57.91 1xk2 h LEU 147 Cb -0.07 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 40.50 1xk2 h LEU 147 CO -0.07 0.97 -0.43 0.50 0.09 0.00 0.00 178.44 179.51 1xk2 h LYS 148 N 0.50 0.40 -0.58 1.13 3.64 -0.57 -3.01 116.57 118.09 1xk2 h LYS 148 Ca 0.04 -0.35 0.12 0.00 -1.27 0.00 0.00 60.65 59.19 1xk2 h LYS 148 Cb 0.90 0.08 -0.11 0.00 -0.41 0.00 0.00 32.23 32.69 1xk2 h LYS 148 CO 0.08 0.99 -0.15 -0.22 -2.27 0.00 0.00 179.45 177.88 1xk2 h LYS 149 N -0.08 -0.01 0.01 1.90 1.63 -0.70 -1.66 116.57 117.67 1xk2 h LYS 149 Ca -0.04 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1xk2 h LYS 149 Cb 1.09 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.72 1xk2 h LYS 149 CO 0.09 -0.01 -0.01 0.82 -3.45 0.00 0.00 179.45 176.89 1xk2 h ILE 150 N -0.01 0.00 -0.92 2.00 2.04 -1.57 -3.23 117.51 115.83 1xk2 h ILE 150 Ca 0.28 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.28 1xk2 h ILE 150 Cb 0.43 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.37 1xk2 h ILE 150 CO -0.60 0.00 -0.35 0.00 0.00 0.00 0.00 178.15 177.19 1xk2 n ALA 151 N -2.08 -0.10 0.25 1.87 0.00 -1.09 -0.47 120.51 118.89 1xk2 n ALA 151 Ca -0.00 0.91 0.16 0.00 0.00 0.00 0.00 53.44 54.51 1xk2 n ALA 151 Cb 0.01 -0.41 0.84 0.00 0.00 0.00 0.00 19.45 19.89 1xk2 n ALA 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1xk2 h GLN 152 N 0.00 0.00 0.00 0.00 3.07 -1.37 0.53 115.11 117.35 1xk2 h GLN 152 Ca 0.32 0.00 -0.21 0.00 0.09 0.00 0.00 58.65 58.86 1xk2 h GLN 152 Cb 0.55 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.08 1xk2 h GLN 152 CO -0.91 0.00 -1.16 0.87 0.09 0.00 0.00 178.83 177.73 1xk2 h LYS 153 N 0.00 0.00 0.00 0.06 1.79 -0.78 -3.25 116.57 114.39 1xk2 h LYS 153 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1xk2 h LYS 153 Cb 0.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 1xk2 h LYS 153 CO 0.00 0.93 0.00 0.00 -1.08 0.00 0.00 179.45 179.30 1xk2 h ALA 154 N -0.51 1.00 0.00 3.86 0.00 -1.16 -2.88 119.26 119.57 1xk2 h ALA 154 Ca -0.31 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.34 1xk2 h ALA 154 Cb 1.24 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 1xk2 h ALA 154 CO -0.19 0.00 -1.69 1.28 0.00 0.00 0.00 179.25 178.65 1xk2 n LEU 155 N -2.39 0.77 -4.14 0.00 4.32 0.15 -4.87 117.00 110.85 1xk2 n LEU 155 Ca 0.01 0.36 -0.29 0.00 -0.02 0.00 0.00 56.01 56.07 1xk2 n LEU 155 Cb 0.20 0.17 -0.08 0.00 -1.62 0.00 0.00 43.42 42.09 1xk2 n LEU 155 CO 0.19 0.32 -0.41 -0.67 -1.22 0.00 0.00 177.39 175.60 1xk2 n ASP 156 N -2.95 0.48 -4.85 -1.43 2.03 -1.09 -4.89 116.55 103.85 1xk2 n ASP 156 Ca -0.16 -1.16 -0.30 0.00 0.52 0.00 0.00 54.79 53.70 1xk2 n ASP 156 Cb 0.99 -1.43 0.09 0.00 -0.72 0.00 0.00 41.12 40.04 1xk2 n ASP 156 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 1xk2 s LEU 157 N -6.99 2.55 0.00 -2.67 2.34 -1.26 -5.06 118.68 107.59 1xk2 s LEU 157 Ca 0.04 1.05 0.00 0.00 0.06 0.00 0.00 54.13 55.28 1xk2 s LEU 157 Cb -0.02 -3.64 0.00 0.00 -0.56 0.00 0.00 46.19 41.97 1xk2 s LEU 157 CO 0.90 -1.88 0.00 -0.81 -1.06 0.00 0.00 176.35 173.50 1xk2 n PRO 158 N -3.34 2.41 -2.81 1.48 -0.04 -1.26 -4.97 135.00 126.46 1xk2 n PRO 158 Ca 0.07 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.42 1xk2 n PRO 158 Cb 0.58 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.06 1xk2 n PRO 158 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1xk2 n SER 159 N 0.00 1.09 -0.45 3.54 7.64 -1.26 -4.86 113.62 119.31 1xk2 n SER 159 Ca 0.00 -2.80 0.11 0.00 1.01 0.00 0.00 58.87 57.18 1xk2 n SER 159 Cb 0.00 -0.46 0.42 0.00 -1.01 0.00 0.00 64.21 63.15 1xk2 n SER 159 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1xk2 n SER 160 N 0.02 1.37 -3.19 6.43 3.41 -1.26 -4.94 113.62 115.47 1xk2 n SER 160 Ca 0.13 -1.64 -0.20 0.00 -0.26 0.00 0.00 58.87 56.90 1xk2 n SER 160 Cb 0.77 -0.08 0.07 0.00 -0.26 0.00 0.00 64.21 64.71 1xk2 n SER 160 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xk2 n GLY 161 N 1.08 -0.34 3.55 5.00 0.00 -1.26 -5.00 105.19 108.22 1xk2 n GLY 161 Ca 0.16 0.12 -0.06 0.00 0.00 0.00 0.00 46.02 46.24 1xk2 n GLY 161 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1xk2 s GLU 162 N -6.00 0.58 0.00 1.61 -1.05 -1.26 -4.98 118.70 107.60 1xk2 s GLU 162 Ca 0.43 -0.22 0.00 0.00 -0.15 0.00 0.00 54.97 55.03 1xk2 s GLU 162 Cb -0.19 0.27 0.00 0.00 -0.44 0.00 0.00 34.13 33.77 1xk2 s GLU 162 CO 0.64 -0.25 0.00 0.41 0.95 0.00 0.00 175.26 177.00 1xk2 n GLY 163 N -0.18 1.52 0.22 -3.83 0.00 -1.26 -4.95 105.19 96.71 1xk2 n GLY 163 Ca -0.04 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.02 1xk2 n GLY 163 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xk2 n LEU 164 N 0.00 1.16 -0.03 0.99 4.77 -1.26 -4.80 117.00 117.83 1xk2 n LEU 164 Ca 0.00 -1.83 0.19 0.00 -0.03 0.00 0.00 56.01 54.34 1xk2 n LEU 164 Cb 0.00 -0.17 0.65 0.00 -2.33 0.00 0.00 43.42 41.57 1xk2 n LEU 164 CO 0.00 0.43 1.19 0.00 -1.33 0.00 0.00 177.39 177.68 1xk2 h ALA 165 N 0.00 2.41 -0.87 -1.18 0.00 -1.92 -1.25 119.26 116.44 1xk2 h ALA 165 Ca 0.00 -0.02 0.17 0.00 0.00 0.00 0.00 54.91 55.07 1xk2 h ALA 165 Cb 1.09 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.83 1xk2 h ALA 165 CO 0.00 -0.57 0.57 0.35 0.00 0.00 0.00 179.25 179.61 1xk2 h PHE 166 N 0.09 0.64 -0.00 0.00 3.57 -1.87 -1.54 116.94 117.82 1xk2 h PHE 166 Ca 0.27 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.79 1xk2 h PHE 166 Cb 0.95 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.49 1xk2 h PHE 166 CO -0.00 0.20 0.00 1.19 -2.23 0.00 0.00 178.31 177.47 1xk2 n PHE 167 N -4.53 0.00 -4.07 0.41 3.72 -0.47 -4.68 117.46 107.83 1xk2 n PHE 167 Ca 0.18 -0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.26 1xk2 n PHE 167 Cb 0.59 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.97 1xk2 n PHE 167 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1xk2 s THR 168 N -2.00 1.80 -0.61 4.37 2.01 -0.58 -4.77 115.64 115.86 1xk2 s THR 168 Ca 0.46 -0.78 -0.18 0.00 0.31 0.00 0.00 61.69 61.51 1xk2 s THR 168 Cb 0.21 -1.66 0.12 0.00 0.01 0.00 0.00 72.50 71.19 1xk2 s THR 168 CO 0.36 0.50 0.68 -0.36 -0.69 0.00 0.00 174.62 175.10 1xk2 s PHE 169 N 1.39 3.13 0.36 4.92 0.40 -1.26 -4.95 117.98 121.97 1xk2 s PHE 169 Ca 0.05 -1.15 0.07 0.00 -0.60 0.00 0.00 56.93 55.30 1xk2 s PHE 169 Cb -0.13 -3.96 0.70 0.00 0.51 0.00 0.00 43.02 40.14 1xk2 s PHE 169 CO -0.12 -1.21 1.90 -1.00 0.70 0.00 0.00 175.22 175.49 1xk2 h PRO 170 N 8.98 0.37 -0.45 0.24 0.13 -1.93 -3.09 132.00 136.26 1xk2 h PRO 170 Ca -0.24 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1xk2 h PRO 170 Cb 1.08 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1xk2 h PRO 170 CO 1.06 0.46 0.00 0.09 -0.23 0.00 0.00 178.00 179.38 1xk2 n ASN 171 N -4.28 1.70 -4.05 1.44 5.03 -1.26 -4.67 115.26 109.17 1xk2 n ASN 171 Ca 0.00 -2.10 -0.32 0.00 0.87 0.00 0.00 54.58 53.03 1xk2 n ASN 171 Cb 0.25 -0.30 -0.15 0.00 -1.02 0.00 0.00 39.78 38.56 1xk2 n ASN 171 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1xk2 s ILE 172 N -1.64 1.99 -0.01 2.41 1.01 -1.17 -4.64 121.20 119.15 1xk2 s ILE 172 Ca 0.16 -1.36 -0.24 0.00 0.00 0.00 0.00 60.65 59.21 1xk2 s ILE 172 Cb 0.10 -2.06 -0.19 0.00 0.01 0.00 0.00 42.46 40.32 1xk2 s ILE 172 CO 0.09 0.10 1.27 0.00 0.00 0.00 0.00 174.94 176.40 1xk2 h ALA 173 N 7.86 0.06 -3.36 9.38 0.00 -1.86 -3.43 119.26 127.89 1xk2 h ALA 173 Ca -0.25 -0.28 -0.61 0.00 0.00 0.00 0.00 54.91 53.77 1xk2 h ALA 173 Cb 1.07 -0.01 -0.37 0.00 0.00 0.00 0.00 17.79 18.48 1xk2 h ALA 173 CO 0.49 -0.15 -0.81 0.45 0.00 0.00 0.00 179.25 179.23 1xk2 s SER 174 N -5.84 3.26 0.22 0.00 0.15 -1.26 -5.02 113.70 105.22 1xk2 s SER 174 Ca -0.16 -0.81 -0.09 0.00 0.70 0.00 0.00 55.95 55.59 1xk2 s SER 174 Cb 0.02 -1.23 0.18 0.00 -1.71 0.00 0.00 66.02 63.29 1xk2 s SER 174 CO 0.70 -0.13 1.89 0.00 1.20 0.00 0.00 173.24 176.90 1xk2 h ALA 175 N 7.99 1.02 0.16 5.45 0.00 -1.96 -1.68 119.26 130.23 1xk2 h ALA 175 Ca -0.30 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1xk2 h ALA 175 Cb 1.10 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1xk2 h ALA 175 CO 0.49 0.41 -0.08 1.79 0.00 0.00 0.00 179.25 181.87 1xk2 h THR 176 N 1.07 0.95 -0.80 0.00 1.35 -1.96 0.14 112.91 113.67 1xk2 h THR 176 Ca 0.30 -0.51 0.07 0.00 -0.55 0.00 0.00 66.41 65.71 1xk2 h THR 176 Cb -0.11 1.27 -0.05 0.00 -1.73 0.00 0.00 68.15 67.53 1xk2 h THR 176 CO -0.07 0.12 0.52 0.11 -0.25 0.00 0.00 175.52 175.95 1xk2 h LYS 177 N -0.46 0.83 -0.09 4.72 1.57 -1.97 -1.44 116.57 119.73 1xk2 h LYS 177 Ca -0.02 -0.05 -0.19 0.00 -1.87 0.00 0.00 60.65 58.52 1xk2 h LYS 177 Cb 0.36 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 1xk2 h LYS 177 CO 0.04 0.55 -0.72 0.35 -0.57 0.00 0.00 179.45 179.10 1xk2 h PHE 178 N 0.86 0.60 0.15 -1.35 3.57 -1.17 -2.34 116.94 117.26 1xk2 h PHE 178 Ca 0.35 -0.26 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 1xk2 h PHE 178 Cb 0.25 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 1xk2 h PHE 178 CO -0.00 1.02 -0.11 -0.22 -2.23 0.00 0.00 178.31 176.77 1xk2 h LYS 179 N 0.31 -0.25 -0.49 1.11 1.63 0.02 0.12 116.57 119.01 1xk2 h LYS 179 Ca -0.03 0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.76 1xk2 h LYS 179 Cb 1.30 0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.96 1xk2 h LYS 179 CO 0.13 -0.17 0.21 1.96 -3.45 0.00 0.00 179.45 178.13 1xk2 h GLN 180 N -0.26 0.70 -0.35 1.90 4.20 -1.33 -0.76 115.11 119.20 1xk2 h GLN 180 Ca -0.01 -0.09 -0.06 0.00 0.06 0.00 0.00 58.65 58.56 1xk2 h GLN 180 Cb 0.23 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1xk2 h GLN 180 CO -0.00 0.56 0.00 1.25 -0.67 0.00 0.00 178.83 179.97 1xk2 h LEU 181 N 0.69 0.61 -0.36 1.46 5.85 -0.99 -0.74 115.31 121.83 1xk2 h LEU 181 Ca 0.17 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 1xk2 h LEU 181 Cb 0.12 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1xk2 h LEU 181 CO -0.02 0.77 0.09 0.22 -0.34 0.00 0.00 178.44 179.16 1xk2 h TYR 182 N 0.44 0.60 0.03 1.25 5.03 -0.56 -1.54 116.97 122.22 1xk2 h TYR 182 Ca 0.10 -0.07 0.02 0.00 2.58 0.00 0.00 58.73 61.36 1xk2 h TYR 182 Cb 0.45 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.54 1xk2 h TYR 182 CO 0.04 0.60 -0.12 0.93 -1.32 0.00 0.00 178.16 178.28 1xk2 h GLU 183 N 0.43 -0.22 -0.58 1.82 5.08 -1.07 -1.06 114.58 118.99 1xk2 h GLU 183 Ca 0.11 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.59 1xk2 h GLU 183 Cb 0.30 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 29.49 1xk2 h GLU 183 CO 0.00 -0.14 -0.36 1.03 -1.00 0.00 0.00 179.01 178.53 1xk2 h SER 184 N -0.22 -1.25 -0.55 1.42 0.87 -0.90 0.18 113.55 113.10 1xk2 h SER 184 Ca 0.03 0.23 0.09 0.00 -1.23 0.00 0.00 61.79 60.92 1xk2 h SER 184 Cb 0.26 0.60 -0.03 0.00 -0.44 0.00 0.00 62.40 62.80 1xk2 h SER 184 CO -0.10 -0.31 0.37 0.03 -0.53 0.00 0.00 176.83 176.28 1xk2 h ARG 185 N -0.19 0.36 -0.19 2.24 2.47 -0.53 -1.64 114.38 116.90 1xk2 h ARG 185 Ca 0.22 -0.02 -0.11 0.00 -1.26 0.00 0.00 59.98 58.80 1xk2 h ARG 185 Cb 0.56 -0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 28.79 1xk2 h ARG 185 CO -0.68 0.24 -0.31 0.52 0.56 0.00 0.00 179.97 180.30 1xk2 h MET 186 N 0.37 0.55 0.00 0.04 2.86 0.52 -2.83 114.93 116.44 1xk2 h MET 186 Ca 0.25 -0.33 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1xk2 h MET 186 Cb 0.50 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.19 1xk2 h MET 186 CO -0.06 0.94 0.00 0.09 1.06 0.00 0.00 176.91 178.93 1xk2 n ASN 187 N -4.34 0.15 0.08 1.22 3.02 -0.05 -1.59 115.26 113.75 1xk2 n ASN 187 Ca -0.06 0.54 0.12 0.00 -0.03 0.00 0.00 54.58 55.15 1xk2 n ASN 187 Cb 0.48 -0.57 0.07 0.00 -0.61 0.00 0.00 39.78 39.15 1xk2 n ASN 187 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1xk2 h SER 188 N 0.00 0.00 -2.76 6.41 4.64 -1.10 -3.47 113.55 117.28 1xk2 h SER 188 Ca 0.00 -0.13 -0.53 0.00 -0.47 0.00 0.00 61.79 60.66 1xk2 h SER 188 Cb 0.23 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.34 1xk2 h SER 188 CO 0.00 0.06 0.94 -0.76 -0.87 0.00 0.00 176.83 176.20 1xk2 s LEU 189 N -4.76 4.36 -0.17 5.97 1.43 -0.62 -4.99 118.68 119.90 1xk2 s LEU 189 Ca 0.03 2.44 -0.15 0.00 -1.03 0.00 0.00 54.13 55.41 1xk2 s LEU 189 Cb 0.12 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.72 1xk2 s LEU 189 CO 0.76 -0.84 0.36 -1.61 0.23 0.00 0.00 176.35 175.26 1xk2 s GLU 190 N 2.29 4.24 -0.05 1.70 2.02 -1.26 -5.06 118.70 122.58 1xk2 s GLU 190 Ca 0.71 0.19 -0.22 0.00 0.02 0.00 0.00 54.97 55.67 1xk2 s GLU 190 Cb -0.39 -3.47 0.05 0.00 0.10 0.00 0.00 34.13 30.42 1xk2 s GLU 190 CO 0.31 0.12 0.50 0.00 0.02 0.00 0.00 175.26 176.21 1xk2 s MET 191 N 0.80 0.84 0.71 1.61 0.23 -1.26 -5.04 119.30 117.20 1xk2 s MET 191 Ca 0.19 0.09 -0.15 0.00 -1.03 0.00 0.00 55.69 54.79 1xk2 s MET 191 Cb -0.14 0.39 0.03 0.00 -1.53 0.00 0.00 34.83 33.58 1xk2 s MET 191 CO 0.06 -0.24 1.20 0.95 -2.03 0.00 0.00 175.02 174.97 1xk2 s THR 192 N -1.12 2.41 0.60 3.16 -4.23 -1.26 -4.70 115.64 110.50 1xk2 s THR 192 Ca -0.11 0.21 0.30 0.00 -1.18 0.00 0.00 61.69 60.91 1xk2 s THR 192 Cb -0.03 -2.81 0.36 0.00 1.34 0.00 0.00 72.50 71.37 1xk2 s THR 192 CO 0.07 -0.10 2.17 -0.65 -0.54 0.00 0.00 174.62 175.56 1xk2 h PRO 193 N -0.13 0.00 0.78 3.99 0.11 -2.01 -0.17 132.00 134.57 1xk2 h PRO 193 Ca -0.48 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 1xk2 h PRO 193 Cb 1.29 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.41 1xk2 h PRO 193 CO 0.51 0.00 -0.38 0.00 -0.21 0.00 0.00 178.00 177.92 1xk2 h ALA 194 N 1.85 -1.05 -0.25 -0.75 0.00 -1.99 -0.52 119.26 116.55 1xk2 h ALA 194 Ca 0.05 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.77 1xk2 h ALA 194 Cb 0.29 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1xk2 h ALA 194 CO -0.00 -0.99 -0.04 0.28 0.00 0.00 0.00 179.25 178.50 1xk2 h VAL 195 N -1.25 0.77 -0.91 0.00 2.07 -1.70 -1.20 116.25 114.04 1xk2 h VAL 195 Ca -0.11 -0.01 0.13 0.00 0.82 0.00 0.00 66.70 67.53 1xk2 h VAL 195 Cb 0.81 0.75 -0.09 0.00 -1.52 0.00 0.00 31.29 31.24 1xk2 h VAL 195 CO 0.18 0.00 0.53 -0.09 0.02 0.00 0.00 177.57 178.21 1xk2 h ARG 196 N 0.03 0.77 -0.29 1.57 2.43 -1.05 0.23 114.38 118.07 1xk2 h ARG 196 Ca 0.12 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.15 1xk2 h ARG 196 Cb 0.17 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1xk2 h ARG 196 CO -0.24 0.51 -0.22 1.96 -1.51 0.00 0.00 179.97 180.47 1xk2 h GLN 197 N 0.79 0.56 -0.19 0.20 7.50 -0.17 -1.94 115.11 121.86 1xk2 h GLN 197 Ca 0.47 -0.20 -0.16 0.00 0.50 0.00 0.00 58.65 59.25 1xk2 h GLN 197 Cb 0.56 -0.04 -0.01 0.00 0.05 0.00 0.00 27.48 28.05 1xk2 h GLN 197 CO -0.31 0.74 -0.56 0.00 -1.50 0.00 0.00 178.83 177.21 1xk2 h ARG 198 N 0.49 0.57 -0.72 1.46 3.08 0.21 -1.88 114.38 117.59 1xk2 h ARG 198 Ca 0.07 -0.36 -0.01 0.00 0.07 0.00 0.00 59.98 59.76 1xk2 h ARG 198 Cb 0.66 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.71 1xk2 h ARG 198 CO 0.05 0.97 0.43 0.28 -1.07 0.00 0.00 179.97 180.63 1xk2 h VAL 199 N 0.43 1.21 -0.89 2.04 2.07 -0.36 0.23 116.25 120.98 1xk2 h VAL 199 Ca 0.01 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1xk2 h VAL 199 Cb 1.10 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 1xk2 h VAL 199 CO 0.11 0.22 0.56 0.40 0.02 0.00 0.00 177.57 178.87 1xk2 h ILE 200 N 0.99 1.24 -0.00 4.57 1.08 -1.16 -1.82 117.51 122.40 1xk2 h ILE 200 Ca 0.26 -0.49 -0.00 0.00 -0.39 0.00 0.00 64.86 64.24 1xk2 h ILE 200 Cb -0.02 -0.03 -0.00 0.00 -3.07 0.00 0.00 36.82 33.69 1xk2 h ILE 200 CO -0.05 0.24 -0.00 -0.33 -0.69 0.00 0.00 178.15 177.32 1xk2 h GLU 201 N 1.21 0.01 -0.74 2.37 4.39 -0.48 -2.79 114.58 118.55 1xk2 h GLU 201 Ca 0.32 -0.00 0.17 0.00 0.34 0.00 0.00 59.36 60.19 1xk2 h GLU 201 Cb -0.09 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.52 1xk2 h GLU 201 CO -0.06 0.33 0.51 1.49 -1.16 0.00 0.00 179.01 180.11 1xk2 h GLU 202 N -0.32 0.25 -0.30 2.33 4.57 -0.27 0.23 114.58 121.07 1xk2 h GLU 202 Ca 0.00 -0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 58.07 1xk2 h GLU 202 Cb 0.33 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 1xk2 h GLU 202 CO 0.00 0.16 -0.19 0.00 -1.18 0.00 0.00 179.01 177.81 1xk2 h ALA 203 N 1.65 0.43 -0.80 2.92 0.00 -1.18 0.38 119.26 122.66 1xk2 h ALA 203 Ca 0.36 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1xk2 h ALA 203 Cb 1.06 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 1xk2 h ALA 203 CO -0.09 0.36 0.45 0.87 0.00 0.00 0.00 179.25 180.85 1xk2 h LYS 204 N 0.41 1.11 -0.66 0.00 1.57 -0.42 -1.72 116.57 116.85 1xk2 h LYS 204 Ca 0.06 -0.12 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1xk2 h LYS 204 Cb 0.73 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.78 1xk2 h LYS 204 CO 0.05 0.81 0.43 1.15 -0.57 0.00 0.00 179.45 181.32 1xk2 h THR 205 N 1.11 1.15 -0.32 -0.16 2.02 -0.52 -2.16 112.91 114.03 1xk2 h THR 205 Ca 0.28 -0.30 0.06 0.00 0.77 0.00 0.00 66.41 67.23 1xk2 h THR 205 Cb 0.01 0.20 -0.06 0.00 -1.74 0.00 0.00 68.15 66.56 1xk2 h THR 205 CO -0.05 0.16 -0.08 0.00 0.37 0.00 0.00 175.52 175.92 1xk2 h ALA 206 N 1.25 0.20 -0.98 6.16 0.00 -0.03 -1.05 119.26 124.81 1xk2 h ALA 206 Ca 0.25 0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.32 1xk2 h ALA 206 Cb -0.07 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 1xk2 h ALA 206 CO -0.07 -0.47 0.64 0.74 0.00 0.00 0.00 179.25 180.10 1xk2 h PHE 207 N -0.01 1.20 -0.20 0.00 -1.00 -0.92 -1.74 116.94 114.27 1xk2 h PHE 207 Ca 0.15 0.03 -0.07 0.00 2.81 0.00 0.00 57.97 60.89 1xk2 h PHE 207 Cb 0.24 -0.40 -0.01 0.00 3.61 0.00 0.00 35.95 39.39 1xk2 h PHE 207 CO -0.30 0.68 -0.18 -0.07 -1.61 0.00 0.00 178.31 176.83 1xk2 h LEU 208 N 1.23 0.34 -1.10 1.54 3.38 -0.68 -0.76 115.31 119.26 1xk2 h LEU 208 Ca 0.40 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 58.19 1xk2 h LEU 208 Cb 0.03 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1xk2 h LEU 208 CO -0.13 0.54 -0.43 -0.07 0.09 0.00 0.00 178.44 178.44 1xk2 h LEU 209 N 0.32 0.00 0.12 1.67 3.38 -0.34 -1.18 115.31 119.27 1xk2 h LEU 209 Ca 0.06 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.79 1xk2 h LEU 209 Cb 0.50 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.28 1xk2 h LEU 209 CO 0.03 0.43 -1.01 0.78 0.09 0.00 0.00 178.44 178.76 1xk2 h ASN 210 N 0.00 0.69 -0.38 -0.43 2.35 -0.99 -2.92 115.58 113.90 1xk2 h ASN 210 Ca -0.00 -0.86 -0.01 0.00 -0.55 0.00 0.00 56.30 54.88 1xk2 h ASN 210 Cb 0.81 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.95 1xk2 h ASN 210 CO 0.06 1.48 0.19 0.40 -1.65 0.00 0.00 177.43 177.91 1xk2 h ILE 211 N -0.01 1.16 0.00 2.81 2.04 -0.94 0.17 117.51 122.74 1xk2 h ILE 211 Ca -0.16 -0.45 -0.07 0.00 1.00 0.00 0.00 64.86 65.18 1xk2 h ILE 211 Cb 1.73 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 1xk2 h ILE 211 CO 0.19 0.17 -0.34 0.06 0.00 0.00 0.00 178.15 178.24 1xk2 h GLN 212 N 0.48 0.00 -0.28 2.37 3.07 -1.34 -0.52 115.11 118.88 1xk2 h GLN 212 Ca 0.13 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.81 1xk2 h GLN 212 Cb 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.65 1xk2 h GLN 212 CO -0.02 0.34 -0.08 1.25 0.09 0.00 0.00 178.83 180.41 1xk2 h LEU 213 N 0.00 0.56 -1.10 0.06 5.85 -1.18 -0.73 115.31 118.78 1xk2 h LEU 213 Ca -0.00 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 58.33 1xk2 h LEU 213 Cb 0.71 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1xk2 h LEU 213 CO 0.04 0.80 0.37 -0.26 -0.34 0.00 0.00 178.44 179.06 1xk2 h PHE 214 N 0.31 0.99 -0.14 1.25 0.04 -0.18 -0.57 116.94 118.64 1xk2 h PHE 214 Ca 0.07 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.81 1xk2 h PHE 214 Cb 0.56 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 1xk2 h PHE 214 CO 0.05 0.70 0.06 0.93 -0.60 0.00 0.00 178.31 179.46 1xk2 h GLU 215 N 1.01 0.21 -0.27 1.51 5.08 -0.80 -1.85 114.58 119.47 1xk2 h GLU 215 Ca 0.25 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1xk2 h GLU 215 Cb 0.06 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1xk2 h GLU 215 CO -0.04 0.28 0.16 1.49 -1.00 0.00 0.00 179.01 179.90 1xk2 h GLU 216 N 0.09 0.36 -0.95 2.33 4.81 -0.61 -1.69 114.58 118.92 1xk2 h GLU 216 Ca 0.05 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1xk2 h GLU 216 Cb 0.14 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.40 1xk2 h GLU 216 CO -0.01 0.28 0.63 -0.07 -0.73 0.00 0.00 179.01 179.11 1xk2 h LEU 217 N 0.34 1.09 -0.86 1.64 3.38 -1.06 -0.58 115.31 119.25 1xk2 h LEU 217 Ca 0.10 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1xk2 h LEU 217 Cb 0.01 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 1xk2 h LEU 217 CO -0.02 0.79 0.40 -0.61 0.09 0.00 0.00 178.44 179.09 1xk2 h GLN 218 N 1.28 1.23 -0.20 1.13 5.75 -1.05 -2.49 115.11 120.76 1xk2 h GLN 218 Ca 0.35 -0.18 -0.01 0.00 -0.15 0.00 0.00 58.65 58.65 1xk2 h GLN 218 Cb -0.15 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 28.17 1xk2 h GLN 218 CO -0.08 0.95 0.08 1.49 -2.65 0.00 0.00 178.83 178.62 1xk2 h GLU 219 N 1.21 0.30 0.00 1.69 4.22 -0.30 -2.89 114.58 118.82 1xk2 h GLU 219 Ca 0.29 -0.06 -0.01 0.00 0.08 0.00 0.00 59.36 59.67 1xk2 h GLU 219 Cb 0.13 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1xk2 h GLU 219 CO -0.04 0.37 -0.04 -0.07 -2.18 0.00 0.00 179.01 177.05 1xk2 h LEU 220 N 0.17 0.00 -2.88 1.64 3.38 -0.89 -2.55 115.31 114.17 1xk2 h LEU 220 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1xk2 h LEU 220 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1xk2 h LEU 220 CO -0.01 0.04 0.00 0.18 0.09 0.00 0.00 178.44 178.75 1xk2 n LEU 221 N -3.57 4.35 -2.58 1.67 4.77 -0.96 -4.55 117.00 116.14 1xk2 n LEU 221 Ca -0.02 -2.19 -0.19 0.00 -0.03 0.00 0.00 56.01 53.58 1xk2 n LEU 221 Cb 0.15 -0.54 0.01 0.00 -2.33 0.00 0.00 43.42 40.71 1xk2 n LEU 221 CO 0.27 0.85 0.05 0.35 -1.33 0.00 0.00 177.39 177.57 1xk2 n THR 222 N 1.28 1.74 0.53 -5.08 -2.24 -0.96 -5.07 114.28 104.48 1xk2 n THR 222 Ca 0.25 -4.14 0.06 0.00 -2.27 0.00 0.00 64.05 57.95 1xk2 n THR 222 Cb 0.77 -0.42 0.05 0.00 -2.10 0.00 0.00 70.33 68.64 1xk2 n THR 222 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91