#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xk0 h GLN 11 N 0.00 0.00 -6.47 -0.52 4.15 -2.01 -3.34 115.11 106.92 1xk0 h GLN 11 Ca 0.00 0.00 -0.54 0.00 0.77 0.00 0.00 58.65 58.88 1xk0 h GLN 11 Cb 0.00 0.00 0.01 0.00 0.21 0.00 0.00 27.48 27.70 1xk0 h GLN 11 CO 0.00 0.63 0.72 -0.51 -1.93 0.00 0.00 178.83 177.74 1xk0 s ASP 12 N -6.79 6.90 0.19 -0.69 1.01 -1.26 -4.87 116.67 111.17 1xk0 s ASP 12 Ca -0.01 2.17 -0.14 0.00 0.71 0.00 0.00 52.55 55.28 1xk0 s ASP 12 Cb 0.12 -2.58 0.19 0.00 1.01 0.00 0.00 42.92 41.67 1xk0 s ASP 12 CO 0.76 -0.63 1.66 0.25 0.21 0.00 0.00 175.17 177.42 1xk0 h LEU 13 N 7.33 -0.39 -1.11 1.23 5.85 -1.91 0.56 115.31 126.86 1xk0 h LEU 13 Ca -0.40 0.15 0.16 0.00 0.84 0.00 0.00 57.88 58.62 1xk0 h LEU 13 Cb 1.20 0.29 -0.09 0.00 0.37 0.00 0.00 40.66 42.43 1xk0 h LEU 13 CO 0.86 -0.14 0.61 0.77 -0.34 0.00 0.00 178.44 180.20 1xk0 h SER 14 N 0.04 0.77 -0.01 1.25 4.64 -1.91 0.35 113.55 118.68 1xk0 h SER 14 Ca 0.26 0.06 -0.24 0.00 -0.47 0.00 0.00 61.79 61.40 1xk0 h SER 14 Cb 0.40 -0.08 0.01 0.00 -0.31 0.00 0.00 62.40 62.43 1xk0 h SER 14 CO -0.51 0.35 -0.93 -0.08 -0.87 0.00 0.00 176.83 174.79 1xk0 h GLU 15 N 0.79 0.70 -0.60 4.77 4.57 -0.98 -2.95 114.58 120.88 1xk0 h GLU 15 Ca 0.52 -0.67 -0.07 0.00 -1.18 0.00 0.00 59.36 57.96 1xk0 h GLU 15 Cb 0.76 0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 29.50 1xk0 h GLU 15 CO -0.29 1.27 0.09 0.00 -1.18 0.00 0.00 179.01 178.90 1xk0 h ALA 16 N 0.51 1.03 -0.58 2.92 0.00 0.16 -2.84 119.26 120.47 1xk0 h ALA 16 Ca -0.09 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 1xk0 h ALA 16 Cb 1.57 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1xk0 h ALA 16 CO 0.18 0.62 0.02 -0.07 0.00 0.00 0.00 179.25 180.01 1xk0 h LEU 17 N 0.91 0.99 -0.04 0.00 3.38 -0.41 -1.70 115.31 118.44 1xk0 h LEU 17 Ca 0.19 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1xk0 h LEU 17 Cb 0.40 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1xk0 h LEU 17 CO 0.01 1.04 0.02 0.50 0.09 0.00 0.00 178.44 180.10 1xk0 h LYS 18 N 0.91 0.06 -0.62 1.13 3.64 -1.38 -2.23 116.57 118.08 1xk0 h LYS 18 Ca 0.17 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.47 1xk0 h LYS 18 Cb 0.52 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 1xk0 h LYS 18 CO 0.03 0.17 0.12 1.49 -2.27 0.00 0.00 179.45 178.99 1xk0 h GLU 19 N -0.06 1.02 -0.25 1.90 4.81 -1.49 -3.00 114.58 117.50 1xk0 h GLU 19 Ca 0.01 -0.26 -0.12 0.00 -0.13 0.00 0.00 59.36 58.86 1xk0 h GLU 19 Cb 0.13 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1xk0 h GLU 19 CO -0.00 0.94 -0.34 0.00 -0.73 0.00 0.00 179.01 178.87 1xk0 h ALA 20 N 1.03 0.93 -0.48 2.92 0.00 -1.27 -3.05 119.26 119.35 1xk0 h ALA 20 Ca 0.19 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1xk0 h ALA 20 Cb 0.40 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1xk0 h ALA 20 CO 0.01 0.62 0.00 0.25 0.00 0.00 0.00 179.25 180.13 1xk0 n THR 21 N -4.06 1.51 -0.32 0.00 -2.24 -0.84 -4.36 114.28 103.96 1xk0 n THR 21 Ca -0.01 -0.91 -0.01 0.00 -2.27 0.00 0.00 64.05 60.85 1xk0 n THR 21 Cb 0.48 -0.05 0.15 0.00 -2.10 0.00 0.00 70.33 68.81 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 3.05 1.21 -0.03 -0.78 1.63 -1.41 -0.95 116.57 119.30 1xk0 h LYS 22 Ca 0.00 -0.08 -0.05 0.00 -0.85 0.00 0.00 60.65 59.67 1xk0 h LYS 22 Cb 1.24 -0.27 0.00 0.00 -0.60 0.00 0.00 32.23 32.61 1xk0 h LYS 22 CO 0.22 0.81 -0.17 1.05 -3.45 0.00 0.00 179.45 177.90 1xk0 h GLU 23 N 1.25 0.17 -0.14 1.90 9.09 -1.83 -2.83 114.58 122.18 1xk0 h GLU 23 Ca 0.34 -0.14 -0.06 0.00 0.05 0.00 0.00 59.36 59.55 1xk0 h GLU 23 Cb -0.13 0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 26.98 1xk0 h GLU 23 CO -0.07 0.81 -0.18 -0.39 0.05 0.00 0.00 179.01 179.23 1xk0 h VAL 24 N -0.43 1.20 -0.66 -1.06 -1.51 -1.84 -0.99 116.25 110.96 1xk0 h VAL 24 Ca -0.01 -0.91 -0.05 0.00 -1.23 0.00 0.00 66.70 64.50 1xk0 h VAL 24 Cb 0.85 1.30 -0.03 0.00 -2.13 0.00 0.00 31.29 31.28 1xk0 h VAL 24 CO 0.04 0.28 0.23 -0.74 -1.23 0.00 0.00 177.57 176.14 1xk0 h HIS 25 N 0.21 1.05 -0.36 5.19 6.17 -1.20 0.49 115.15 126.70 1xk0 h HIS 25 Ca 0.04 -0.10 -0.11 0.00 0.71 0.00 0.00 60.37 60.91 1xk0 h HIS 25 Cb 0.45 -0.31 -0.01 0.00 2.52 0.00 0.00 27.41 30.06 1xk0 h HIS 25 CO 0.01 0.84 -0.24 1.15 0.71 0.00 0.00 177.93 180.39 1xk0 h THR 26 N 0.95 1.27 -0.37 6.26 2.02 -1.18 -0.48 112.91 121.39 1xk0 h THR 26 Ca 0.22 -1.34 -0.04 0.00 0.77 0.00 0.00 66.41 66.02 1xk0 h THR 26 Cb 0.27 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 1xk0 h THR 26 CO -0.01 0.44 0.09 -0.61 0.37 0.00 0.00 175.52 175.80 1xk0 h GLN 27 N 0.62 0.59 -0.73 6.66 4.15 -0.50 -0.41 115.11 125.48 1xk0 h GLN 27 Ca 0.08 -0.14 0.04 0.00 0.77 0.00 0.00 58.65 59.41 1xk0 h GLN 27 Cb 0.74 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 28.30 1xk0 h GLN 27 CO 0.06 0.62 0.45 0.00 -1.93 0.00 0.00 178.83 178.04 1xk0 h ALA 28 N 0.94 0.98 -0.47 3.38 0.00 0.30 -1.80 119.26 122.59 1xk0 h ALA 28 Ca 0.12 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1xk0 h ALA 28 Cb 0.30 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1xk0 h ALA 28 CO 0.00 0.21 0.27 0.93 0.00 0.00 0.00 179.25 180.66 1xk0 h GLU 29 N 0.86 0.52 0.00 0.00 5.08 -0.53 -1.42 114.58 119.10 1xk0 h GLU 29 Ca 0.31 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1xk0 h GLU 29 Cb 0.07 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1xk0 h GLU 29 CO -0.13 0.35 0.00 0.09 -1.00 0.00 0.00 179.01 178.31 1xk0 n ASN 30 N -4.84 0.00 -4.68 1.42 3.02 -0.22 -3.31 115.26 106.65 1xk0 n ASN 30 Ca 0.03 -0.31 -0.43 0.00 -0.03 0.00 0.00 54.58 53.84 1xk0 n ASN 30 Cb 0.08 -0.12 -0.03 0.00 -0.61 0.00 0.00 39.78 39.09 1xk0 n ASN 30 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xk0 n ALA 31 N -1.12 1.97 -0.16 5.41 0.00 -0.54 -4.76 120.51 121.31 1xk0 n ALA 31 Ca 0.12 0.29 -0.07 0.00 0.00 0.00 0.00 53.44 53.78 1xk0 n ALA 31 Cb 0.10 -2.60 -0.01 0.00 0.00 0.00 0.00 19.45 16.93 1xk0 n ALA 31 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1xk0 h GLU 32 N 8.99 -0.21 -0.94 0.00 4.81 -1.88 0.83 114.58 126.18 1xk0 h GLU 32 Ca -0.47 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 58.87 1xk0 h GLU 32 Cb 1.23 0.05 -0.07 0.00 0.63 0.00 0.00 28.75 30.58 1xk0 h GLU 32 CO 0.94 -0.14 0.58 0.35 -0.73 0.00 0.00 179.01 180.01 1xk0 h PHE 33 N -0.22 1.06 -0.08 0.92 3.57 -1.89 0.94 116.94 121.24 1xk0 h PHE 33 Ca 0.19 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.56 1xk0 h PHE 33 Cb 0.55 -0.34 0.01 0.00 2.79 0.00 0.00 35.95 38.96 1xk0 h PHE 33 CO -0.60 0.47 -0.59 1.98 -2.23 0.00 0.00 178.31 177.33 1xk0 h MET 34 N 0.98 0.53 -0.64 1.11 4.05 -1.35 -2.08 114.93 117.53 1xk0 h MET 34 Ca 0.44 -0.47 -0.09 0.00 -0.28 0.00 0.00 59.70 59.30 1xk0 h MET 34 Cb 0.35 0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.23 1xk0 h MET 34 CO -0.23 1.10 0.06 0.07 0.23 0.00 0.00 176.91 178.14 1xk0 h ARG 35 N 0.13 1.08 -0.21 0.39 0.11 0.93 0.18 114.38 116.98 1xk0 h ARG 35 Ca -0.05 -0.31 -0.00 0.00 0.10 0.00 0.00 59.98 59.72 1xk0 h ARG 35 Cb 1.25 -0.12 -0.01 0.00 1.11 0.00 0.00 29.97 32.20 1xk0 h ARG 35 CO 0.12 1.01 0.12 -0.91 0.10 0.00 0.00 179.97 180.41 1xk0 h ASN 36 N 1.00 0.26 -0.34 0.08 -0.26 -0.86 -0.69 115.58 114.77 1xk0 h ASN 36 Ca 0.19 -0.08 0.04 0.00 -0.56 0.00 0.00 56.30 55.89 1xk0 h ASN 36 Cb 0.49 -0.07 -0.04 0.00 -1.06 0.00 0.00 38.32 37.65 1xk0 h ASN 36 CO 0.02 0.26 0.12 0.15 -1.06 0.00 0.00 177.43 176.92 1xk0 h PHE 37 N 0.23 0.21 -0.38 1.19 3.04 -1.10 0.14 116.94 120.26 1xk0 h PHE 37 Ca 0.07 0.02 0.11 0.00 3.98 0.00 0.00 57.97 62.15 1xk0 h PHE 37 Cb 0.06 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 38.51 1xk0 h PHE 37 CO -0.04 0.08 0.37 0.37 -2.02 0.00 0.00 178.31 177.08 1xk0 h GLN 38 N 0.26 0.00 -0.16 1.11 4.15 0.08 0.17 115.11 120.73 1xk0 h GLN 38 Ca 0.15 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.57 1xk0 h GLN 38 Cb 0.13 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.82 1xk0 h GLN 38 CO -0.16 0.00 0.00 1.63 -1.93 0.00 0.00 178.83 178.37 1xk0 n LYS 39 N -3.88 2.27 0.00 1.69 5.02 0.24 -4.94 118.16 118.56 1xk0 n LYS 39 Ca 0.06 -1.88 0.00 0.00 -2.02 0.00 0.00 58.31 54.48 1xk0 n LYS 39 Cb 0.55 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.08 1xk0 n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xk0 n GLY 40 N 1.37 3.41 3.56 0.72 0.00 0.61 -4.99 105.19 109.86 1xk0 n GLY 40 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 1xk0 n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xk0 s GLN 41 N -0.82 2.27 -0.19 1.61 -0.21 0.16 -4.85 119.66 117.63 1xk0 s GLN 41 Ca 0.00 0.15 -0.15 0.00 0.02 0.00 0.00 55.36 55.39 1xk0 s GLN 41 Cb 0.00 -4.87 0.05 0.00 1.00 0.00 0.00 33.01 29.20 1xk0 s GLN 41 CO 0.00 -3.58 0.48 0.54 -2.12 0.00 0.00 175.29 170.61 1xk0 s VAL 42 N 11.39 -0.01 0.29 1.09 0.11 -1.26 -2.88 120.40 129.14 1xk0 s VAL 42 Ca 0.78 0.02 0.09 0.00 -2.93 0.00 0.00 61.98 59.94 1xk0 s VAL 42 Cb -0.10 -0.68 -0.04 0.00 -1.53 0.00 0.00 36.38 34.03 1xk0 s VAL 42 CO 0.06 0.01 0.04 0.42 -3.33 0.00 0.00 175.10 172.30 1xk0 s THR 43 N 0.66 3.26 0.25 5.04 -4.23 -1.26 -4.80 115.64 114.55 1xk0 s THR 43 Ca -0.03 -1.85 -0.03 0.00 -1.18 0.00 0.00 61.69 58.59 1xk0 s THR 43 Cb -0.05 -2.88 0.23 0.00 1.34 0.00 0.00 72.50 71.14 1xk0 s THR 43 CO -0.04 -0.30 1.71 0.03 -0.54 0.00 0.00 174.62 175.48 1xk0 h ARG 44 N 1.78 0.39 -0.07 3.99 3.08 -1.94 0.45 114.38 122.06 1xk0 h ARG 44 Ca -0.44 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.49 1xk0 h ARG 44 Cb 1.25 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.20 1xk0 h ARG 44 CO 0.62 0.26 -0.38 -0.44 -1.07 0.00 0.00 179.97 178.95 1xk0 h ASP 45 N 0.40 0.16 -0.09 7.04 5.19 -1.98 0.46 116.42 127.60 1xk0 h ASP 45 Ca 0.44 -0.06 -0.19 0.00 -0.62 0.00 0.00 57.03 56.60 1xk0 h ASP 45 Cb 0.71 -0.04 0.01 0.00 0.18 0.00 0.00 39.33 40.19 1xk0 h ASP 45 CO -0.45 0.53 -0.69 1.23 -3.12 0.00 0.00 179.24 176.75 1xk0 h GLY 46 N 1.18 0.69 0.81 2.75 0.00 -1.19 -2.50 103.07 104.80 1xk0 h GLY 46 Ca 0.01 -1.03 -0.01 0.00 0.00 0.00 0.00 47.33 46.30 1xk0 h GLY 46 CO 0.06 0.92 0.02 -2.75 0.00 0.00 0.00 176.54 174.79 1xk0 h PHE 47 N 0.26 0.21 -0.89 5.60 3.57 0.05 -2.44 116.94 123.30 1xk0 h PHE 47 Ca -0.06 -0.03 0.13 0.00 3.53 0.00 0.00 57.97 61.54 1xk0 h PHE 47 Cb 1.34 -0.06 -0.09 0.00 2.79 0.00 0.00 35.95 39.93 1xk0 h PHE 47 CO 0.11 0.37 0.51 0.87 -2.23 0.00 0.00 178.31 177.94 1xk0 h LYS 48 N -0.02 0.75 -0.53 1.11 1.57 -0.12 -0.21 116.57 119.14 1xk0 h LYS 48 Ca 0.04 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1xk0 h LYS 48 Cb 0.27 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1xk0 h LYS 48 CO 0.00 0.50 0.15 -0.07 -0.57 0.00 0.00 179.45 179.46 1xk0 h LEU 49 N 0.78 0.73 -0.51 2.94 3.38 -1.21 -1.23 115.31 120.18 1xk0 h LEU 49 Ca 0.46 -0.11 -0.13 0.00 0.09 0.00 0.00 57.88 58.19 1xk0 h LEU 49 Cb 0.54 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1xk0 h LEU 49 CO -0.30 0.70 -0.21 0.58 0.09 0.00 0.00 178.44 179.30 1xk0 h VAL 50 N 0.77 1.27 -0.37 1.22 2.07 -0.61 -0.88 116.25 119.72 1xk0 h VAL 50 Ca 0.17 -1.37 -0.15 0.00 0.82 0.00 0.00 66.70 66.17 1xk0 h VAL 50 Cb 0.25 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1xk0 h VAL 50 CO -0.01 0.47 -0.36 0.24 0.02 0.00 0.00 177.57 177.93 1xk0 h MET 51 N 0.86 0.89 -0.58 1.57 2.86 -0.88 0.86 114.93 120.52 1xk0 h MET 51 Ca 0.11 -0.47 -0.05 0.00 -2.06 0.00 0.00 59.70 57.23 1xk0 h MET 51 Cb 0.78 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.43 1xk0 h MET 51 CO 0.06 1.12 0.17 0.00 1.06 0.00 0.00 176.91 179.33 1xk0 h ALA 52 N 0.76 0.76 -0.34 6.32 0.00 -1.19 -0.22 119.26 125.36 1xk0 h ALA 52 Ca 0.06 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.80 1xk0 h ALA 52 Cb 0.96 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1xk0 h ALA 52 CO 0.09 0.43 0.14 0.77 0.00 0.00 0.00 179.25 180.69 1xk0 h SER 53 N 0.82 0.19 -0.69 0.00 0.02 -0.93 -1.82 113.55 111.15 1xk0 h SER 53 Ca 0.19 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.12 1xk0 h SER 53 Cb 0.30 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 1xk0 h SER 53 CO -0.00 0.15 0.29 -0.07 -1.14 0.00 0.00 176.83 176.05 1xk0 h LEU 54 N 0.31 0.95 -0.09 5.07 3.38 -0.47 -1.88 115.31 122.58 1xk0 h LEU 54 Ca 0.15 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1xk0 h LEU 54 Cb 0.09 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1xk0 h LEU 54 CO -0.13 0.84 0.04 0.22 0.09 0.00 0.00 178.44 179.50 1xk0 h TYR 55 N 1.02 0.08 -0.56 1.13 3.20 -0.44 0.14 116.97 121.54 1xk0 h TYR 55 Ca 0.24 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 62.02 1xk0 h TYR 55 Cb 0.18 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 1xk0 h TYR 55 CO 0.02 0.05 -0.03 0.45 -1.64 0.00 0.00 178.16 177.00 1xk0 h HIS 56 N 0.09 1.08 -0.28 -3.82 3.86 -1.18 -1.23 115.15 113.68 1xk0 h HIS 56 Ca 0.03 -0.19 -0.01 0.00 -1.16 0.00 0.00 60.37 59.04 1xk0 h HIS 56 Cb 0.01 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.18 1xk0 h HIS 56 CO -0.09 0.98 0.13 0.82 0.86 0.00 0.00 177.93 180.63 1xk0 h ILE 57 N 0.91 1.16 -0.09 2.45 2.04 -1.05 -2.34 117.51 120.59 1xk0 h ILE 57 Ca 0.16 -0.47 -0.13 0.00 1.00 0.00 0.00 64.86 65.42 1xk0 h ILE 57 Cb 0.57 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 1xk0 h ILE 57 CO 0.03 0.16 -0.54 1.88 0.00 0.00 0.00 178.15 179.68 1xk0 h TYR 58 N 0.31 0.31 -0.28 1.37 0.05 -0.65 0.94 116.97 119.02 1xk0 h TYR 58 Ca 0.10 -0.11 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 1xk0 h TYR 58 Cb 0.14 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 37.81 1xk0 h TYR 58 CO -0.02 0.74 0.13 0.28 -1.05 0.00 0.00 178.16 178.24 1xk0 h VAL 59 N 0.19 1.16 0.37 -2.88 2.07 -1.12 0.84 116.25 116.88 1xk0 h VAL 59 Ca 0.00 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 1xk0 h VAL 59 Cb 1.02 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1xk0 h VAL 59 CO 0.08 0.17 -0.18 0.00 0.02 0.00 0.00 177.57 177.67 1xk0 h ALA 60 N 0.98 -0.49 -0.01 1.67 0.00 -1.28 -0.75 119.26 119.37 1xk0 h ALA 60 Ca 0.10 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1xk0 h ALA 60 Cb 0.15 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 1xk0 h ALA 60 CO -0.01 -0.64 -0.33 1.25 0.00 0.00 0.00 179.25 179.52 1xk0 h LEU 61 N -0.76 -0.98 -1.48 0.00 5.85 -0.77 -0.39 115.31 116.77 1xk0 h LEU 61 Ca -0.05 0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 1xk0 h LEU 61 Cb 0.51 0.39 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 1xk0 h LEU 61 CO 0.08 -0.39 -0.05 -0.33 -0.34 0.00 0.00 178.44 177.42 1xk0 h GLU 62 N -0.48 0.27 -0.30 1.25 5.08 -0.89 0.11 114.58 119.63 1xk0 h GLU 62 Ca 0.06 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1xk0 h GLU 62 Cb 0.57 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1xk0 h GLU 62 CO -0.27 0.34 0.12 1.49 -1.00 0.00 0.00 179.01 179.69 1xk0 h GLU 63 N 0.27 0.45 -0.08 2.33 4.81 -0.39 -1.33 114.58 120.63 1xk0 h GLU 63 Ca 0.06 -0.08 -0.12 0.00 -0.13 0.00 0.00 59.36 59.09 1xk0 h GLU 63 Cb 0.27 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1xk0 h GLU 63 CO 0.01 0.46 -0.49 0.93 -0.73 0.00 0.00 179.01 179.19 1xk0 h GLU 64 N 0.33 0.21 -0.46 1.92 4.39 -0.20 -2.21 114.58 118.57 1xk0 h GLU 64 Ca 0.10 -0.12 -0.11 0.00 0.34 0.00 0.00 59.36 59.57 1xk0 h GLU 64 Cb 0.18 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1xk0 h GLU 64 CO -0.01 0.66 -0.14 0.82 -1.16 0.00 0.00 179.01 179.18 1xk0 h ILE 65 N 0.17 1.27 -0.41 3.13 2.04 -0.64 -1.92 117.51 121.15 1xk0 h ILE 65 Ca 0.01 -1.25 -0.09 0.00 1.00 0.00 0.00 64.86 64.53 1xk0 h ILE 65 Cb 0.93 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 1xk0 h ILE 65 CO 0.07 0.43 -0.10 -0.08 0.00 0.00 0.00 178.15 178.48 1xk0 h GLU 66 N 0.78 0.72 -0.26 2.37 4.57 -1.02 0.24 114.58 121.97 1xk0 h GLU 66 Ca 0.12 -0.22 -0.05 0.00 -1.18 0.00 0.00 59.36 58.02 1xk0 h GLU 66 Cb 0.66 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.17 1xk0 h GLU 66 CO 0.05 0.79 -0.08 -0.09 -1.18 0.00 0.00 179.01 178.51 1xk0 h ARG 67 N 0.65 0.41 -0.31 1.92 2.43 -0.88 -3.19 114.38 115.41 1xk0 h ARG 67 Ca 0.12 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1xk0 h ARG 67 Cb 0.55 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1xk0 h ARG 67 CO 0.03 0.50 0.00 0.09 -1.51 0.00 0.00 179.97 179.08 1xk0 n ASN 68 N -4.26 2.81 -0.33 -3.80 4.13 -0.77 -4.75 115.26 108.29 1xk0 n ASN 68 Ca 0.00 -1.98 0.31 0.00 1.68 0.00 0.00 54.58 54.60 1xk0 n ASN 68 Cb 0.27 -0.20 0.67 0.00 -1.54 0.00 0.00 39.78 38.97 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 1.85 0.13 -0.01 3.52 2.10 -0.52 0.62 116.57 124.26 1xk0 h LYS 69 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1xk0 h LYS 69 Cb 0.70 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.00 1xk0 h LYS 69 CO 0.00 0.09 -0.26 0.39 -2.00 0.00 0.00 179.45 177.67 1xk0 n GLU 70 N -4.36 1.20 -2.55 0.07 1.02 -1.26 -3.67 120.64 111.09 1xk0 n GLU 70 Ca 0.26 -0.84 -0.41 0.00 -0.02 0.00 0.00 57.16 56.16 1xk0 n GLU 70 Cb 1.14 -1.48 -0.04 0.00 -0.02 0.00 0.00 31.44 31.04 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 -2.38 7.32 0.58 1.62 0.15 0.21 -4.80 113.70 116.41 1xk0 s SER 71 Ca 0.25 2.06 0.28 0.00 0.70 0.00 0.00 55.95 59.25 1xk0 s SER 71 Cb 0.19 -2.60 1.67 0.00 -1.71 0.00 0.00 66.02 63.57 1xk0 s SER 71 CO 0.49 -0.17 2.13 -0.65 1.20 0.00 0.00 173.24 176.25 1xk0 h PRO 72 N 4.96 0.00 0.00 5.44 0.11 -1.91 0.53 132.00 141.13 1xk0 h PRO 72 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1xk0 h PRO 72 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1xk0 h PRO 72 CO 0.71 0.00 0.00 1.33 -0.21 0.00 0.00 178.00 179.83 1xk0 n VAL 73 N -3.86 0.17 0.00 3.15 0.24 -1.26 -4.27 118.33 112.50 1xk0 n VAL 73 Ca 0.01 0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 1xk0 n VAL 73 Cb 0.27 -0.67 0.00 0.00 -1.47 0.00 0.00 33.84 31.97 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 -1.17 0.00 -0.33 6.34 7.35 0.27 -4.69 117.46 125.22 1xk0 n PHE 74 Ca 0.14 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.95 1xk0 n PHE 74 Cb 0.14 0.00 0.25 0.00 0.35 0.00 0.00 39.48 40.22 1xk0 n PHE 74 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1xk0 h ALA 75 N 0.00 1.05 -0.68 3.13 0.00 -0.14 0.21 119.26 122.83 1xk0 h ALA 75 Ca 0.00 0.33 0.16 0.00 0.00 0.00 0.00 54.91 55.41 1xk0 h ALA 75 Cb 0.00 0.59 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1xk0 h ALA 75 CO 0.00 -0.52 0.47 -1.35 0.00 0.00 0.00 179.25 177.85 1xk0 h PRO 76 N 0.02 0.20 -0.65 0.00 0.11 -1.83 0.10 132.00 129.96 1xk0 h PRO 76 Ca 0.56 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.65 1xk0 h PRO 76 Cb 1.09 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1xk0 h PRO 76 CO -0.90 0.13 0.00 1.33 -0.21 0.00 0.00 178.00 178.35 1xk0 n VAL 77 N -4.42 1.99 -2.68 3.15 0.24 0.05 -4.83 118.33 111.84 1xk0 n VAL 77 Ca 0.13 -1.20 -0.42 0.00 -2.04 0.00 0.00 64.34 60.81 1xk0 n VAL 77 Cb 0.60 0.02 -0.03 0.00 -1.47 0.00 0.00 33.84 32.97 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 -2.04 2.68 -0.57 6.34 5.04 0.02 -4.92 117.35 123.90 1xk0 s TYR 78 Ca 0.51 0.26 0.06 0.00 -2.44 0.00 0.00 57.07 55.46 1xk0 s TYR 78 Cb 0.34 -4.35 0.22 0.00 0.35 0.00 0.00 41.96 38.52 1xk0 s TYR 78 CO 0.22 -1.50 0.58 1.19 -1.34 0.00 0.00 175.55 174.71 1xk0 n PHE 79 N 8.08 2.01 -0.10 4.97 3.72 -1.26 -4.99 117.46 129.89 1xk0 n PHE 79 Ca 0.06 -3.94 -0.06 0.00 -0.05 0.00 0.00 57.45 53.46 1xk0 n PHE 79 Cb 0.48 -0.41 0.02 0.00 -0.94 0.00 0.00 39.48 38.63 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 4.62 0.23 -0.10 -1.08 0.13 -1.97 -0.78 132.00 133.05 1xk0 h PRO 80 Ca 0.17 -0.01 -0.14 0.00 -0.87 0.00 0.00 66.00 65.14 1xk0 h PRO 80 Cb 0.77 -0.05 0.01 0.00 0.13 0.00 0.00 31.00 31.85 1xk0 h PRO 80 CO 0.66 0.15 -0.50 0.93 -0.23 0.00 0.00 178.00 179.01 1xk0 h GLU 81 N 0.23 0.51 -0.22 0.86 4.39 -1.97 -2.24 114.58 116.15 1xk0 h GLU 81 Ca 0.17 -0.42 -0.12 0.00 0.34 0.00 0.00 59.36 59.32 1xk0 h GLU 81 Cb 0.16 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1xk0 h GLU 81 CO -0.19 1.05 -0.37 0.93 -1.16 0.00 0.00 179.01 179.26 1xk0 h GLU 82 N 0.11 0.50 0.00 2.33 3.07 -1.81 -3.39 114.58 115.38 1xk0 h GLU 82 Ca -0.04 -0.24 -0.03 0.00 -0.50 0.00 0.00 59.36 58.56 1xk0 h GLU 82 Cb 1.15 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.05 1xk0 h GLU 82 CO 0.10 0.80 -1.55 1.28 -1.40 0.00 0.00 179.01 178.25 1xk0 n LEU 83 N -4.04 0.00 -4.57 1.33 4.77 -0.30 -4.64 117.00 109.55 1xk0 n LEU 83 Ca -0.01 0.00 -0.48 0.00 -0.03 0.00 0.00 56.01 55.49 1xk0 n LEU 83 Cb 0.49 0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.59 1xk0 n LEU 83 CO 0.44 0.04 0.63 0.00 -1.33 0.00 0.00 177.39 177.17 1xk0 n HIS 84 N -1.97 1.15 0.00 -1.77 1.44 -0.84 -4.90 115.22 108.33 1xk0 n HIS 84 Ca -0.04 0.71 0.00 0.00 -2.01 0.00 0.00 57.72 56.38 1xk0 n HIS 84 Cb 0.38 -2.25 0.00 0.00 0.12 0.00 0.00 29.99 28.25 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 1.45 4.40 -0.12 -1.40 5.12 -1.26 -4.82 116.66 120.02 1xk0 n ARG 85 Ca 0.14 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 56.01 1xk0 n ARG 85 Cb 0.26 -0.61 0.02 0.00 -1.16 0.00 0.00 32.46 30.97 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 -0.03 -0.18 5.56 3.64 -1.90 -1.22 116.57 122.43 1xk0 h LYS 86 Ca 0.00 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1xk0 h LYS 86 Cb 0.00 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1xk0 h LYS 86 CO 0.00 -0.02 0.06 0.00 -2.27 0.00 0.00 179.45 177.22 1xk0 h ALA 87 N 1.35 0.20 -0.96 5.00 0.00 -1.99 -0.16 119.26 122.69 1xk0 h ALA 87 Ca 0.20 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.16 1xk0 h ALA 87 Cb 0.33 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 1xk0 h ALA 87 CO -0.44 -0.37 0.63 0.00 0.00 0.00 0.00 179.25 179.08 1xk0 h ALA 88 N 1.11 1.27 -0.12 0.00 0.00 -1.78 -0.72 119.26 119.02 1xk0 h ALA 88 Ca 0.08 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1xk0 h ALA 88 Cb 0.05 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1xk0 h ALA 88 CO -0.08 0.51 -0.44 -0.07 0.00 0.00 0.00 179.25 179.17 1xk0 h LEU 89 N 1.22 0.30 -0.51 0.00 3.38 -0.83 -0.44 115.31 118.41 1xk0 h LEU 89 Ca 0.38 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 58.15 1xk0 h LEU 89 Cb -0.00 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1xk0 h LEU 89 CO -0.12 0.70 0.04 -0.33 0.09 0.00 0.00 178.44 178.82 1xk0 h GLU 90 N 0.23 0.88 -0.78 1.13 5.08 -0.01 0.21 114.58 121.31 1xk0 h GLU 90 Ca 0.02 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 1xk0 h GLU 90 Cb 0.87 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.00 1xk0 h GLU 90 CO 0.07 0.89 0.42 1.96 -1.00 0.00 0.00 179.01 181.35 1xk0 h GLN 91 N 0.75 1.10 -0.25 2.33 1.08 -0.84 -1.73 115.11 117.55 1xk0 h GLN 91 Ca 0.15 -0.13 -0.13 0.00 -1.45 0.00 0.00 58.65 57.09 1xk0 h GLN 91 Cb 0.47 -0.21 -0.00 0.00 -0.05 0.00 0.00 27.48 27.68 1xk0 h GLN 91 CO 0.02 0.82 -0.34 -0.44 -0.95 0.00 0.00 178.83 177.94 1xk0 h ASP 92 N 1.09 0.73 -0.02 1.46 3.45 -0.66 -3.12 116.42 119.35 1xk0 h ASP 92 Ca 0.28 -0.50 -0.07 0.00 0.43 0.00 0.00 57.03 57.16 1xk0 h ASP 92 Cb 0.05 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 38.60 1xk0 h ASP 92 CO -0.04 1.09 -0.19 -0.07 -1.57 0.00 0.00 179.24 178.46 1xk0 h LEU 93 N 0.39 0.36 -1.27 1.55 3.38 -0.48 -0.56 115.31 118.68 1xk0 h LEU 93 Ca 0.03 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1xk0 h LEU 93 Cb 0.92 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 1xk0 h LEU 93 CO 0.08 0.57 0.12 0.00 0.09 0.00 0.00 178.44 179.31 1xk0 h ALA 94 N 1.46 1.42 0.13 1.53 0.00 -1.32 0.49 119.26 122.98 1xk0 h ALA 94 Ca 0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1xk0 h ALA 94 Cb 0.53 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1xk0 h ALA 94 CO 0.04 0.43 -0.06 0.35 0.00 0.00 0.00 179.25 180.00 1xk0 h PHE 95 N 0.61 -0.16 0.00 0.00 3.57 -1.32 0.68 116.94 120.33 1xk0 h PHE 95 Ca 0.14 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.56 1xk0 h PHE 95 Cb 0.20 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 1xk0 h PHE 95 CO 0.01 0.32 -0.37 -1.49 -2.23 0.00 0.00 178.31 174.54 1xk0 h TRP 96 N -0.86 0.00 -0.00 0.41 4.06 -0.99 -3.30 115.95 115.28 1xk0 h TRP 96 Ca -0.02 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.93 1xk0 h TRP 96 Cb 0.54 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.70 1xk0 h TRP 96 CO 0.10 0.37 -0.01 0.66 -3.56 0.00 0.00 178.44 176.00 1xk0 n TYR 97 N -3.85 0.00 0.00 0.49 4.01 0.17 -5.07 117.16 112.90 1xk0 n TYR 97 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1xk0 n TYR 97 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.47 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 0.25 -0.57 0.35 2.72 0.00 0.23 -3.97 105.19 104.20 1xk0 n GLY 98 Ca 0.01 -1.74 0.18 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.62 1.61 0.13 -1.91 -0.68 132.00 130.53 1xk0 h PRO 99 Ca 0.00 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.80 1xk0 h PRO 99 Cb 0.00 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 30.94 1xk0 h PRO 99 CO 0.00 0.00 0.20 0.54 -0.23 0.00 0.00 178.00 178.51 1xk0 n ARG 100 N -3.43 2.03 -0.29 0.86 1.74 -1.26 -4.72 116.66 111.59 1xk0 n ARG 100 Ca 0.01 -3.15 0.11 0.00 -0.77 0.00 0.00 57.85 54.05 1xk0 n ARG 100 Cb 0.37 -1.97 0.27 0.00 -1.02 0.00 0.00 32.46 30.10 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 1.04 0.49 -0.09 -1.55 5.08 -1.24 0.20 115.95 119.88 1xk0 h TRP 101 Ca 0.39 0.04 0.03 0.00 1.08 0.00 0.00 58.89 60.43 1xk0 h TRP 101 Cb 2.10 -0.08 -0.00 0.00 -3.00 0.00 0.00 29.16 28.17 1xk0 h TRP 101 CO 1.27 -0.08 0.15 1.96 -1.28 0.00 0.00 178.44 180.46 1xk0 h GLN 102 N 0.34 0.00 0.00 0.12 4.20 -1.86 -0.13 115.11 117.77 1xk0 h GLN 102 Ca 0.51 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.22 1xk0 h GLN 102 Cb 0.96 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.74 1xk0 h GLN 102 CO -0.54 0.00 -0.99 0.39 -0.67 0.00 0.00 178.83 177.02 1xk0 n GLU 103 N -3.50 0.38 -0.00 1.46 1.02 0.05 -4.49 120.64 115.56 1xk0 n GLU 103 Ca -0.01 0.03 0.03 0.00 -0.02 0.00 0.00 57.16 57.20 1xk0 n GLU 103 Cb 0.25 -1.66 -0.04 0.00 -0.02 0.00 0.00 31.44 29.96 1xk0 n GLU 103 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1xk0 n VAL 104 N -2.17 0.00 -1.77 2.62 0.24 -0.25 -5.03 118.33 111.98 1xk0 n VAL 104 Ca 0.01 -0.19 -0.40 0.00 -2.04 0.00 0.00 64.34 61.72 1xk0 n VAL 104 Cb 0.47 0.50 0.01 0.00 -1.47 0.00 0.00 33.84 33.35 1xk0 n VAL 104 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 1xk0 n ILE 105 N -1.59 2.53 -1.85 1.34 -5.35 -0.23 -4.97 119.36 109.25 1xk0 n ILE 105 Ca -0.01 -0.50 -0.31 0.00 -0.27 0.00 0.00 62.75 61.66 1xk0 n ILE 105 Cb 0.15 -1.90 0.02 0.00 -1.74 0.00 0.00 39.64 36.16 1xk0 n ILE 105 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 1xk0 s PRO 106 N -2.34 3.38 -0.42 6.28 0.04 -1.26 -5.03 135.00 135.65 1xk0 s PRO 106 Ca 0.58 0.90 0.05 0.00 0.04 0.00 0.00 61.00 62.58 1xk0 s PRO 106 Cb -0.46 -2.05 0.19 0.00 0.04 0.00 0.00 34.50 32.22 1xk0 s PRO 106 CO 0.60 -0.75 0.42 0.98 0.04 0.00 0.00 177.00 178.29 1xk0 n TYR 107 N -2.65 -1.14 -1.52 0.56 9.36 -1.26 -4.81 117.16 115.70 1xk0 n TYR 107 Ca 0.07 -3.15 -0.30 0.00 3.32 0.00 0.00 57.90 57.84 1xk0 n TYR 107 Cb 0.54 0.28 0.09 0.00 -0.63 0.00 0.00 39.34 39.62 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 -0.11 3.08 0.27 2.97 -4.23 -1.26 -4.81 115.64 111.56 1xk0 s THR 108 Ca 0.33 0.35 -0.00 0.00 -1.18 0.00 0.00 61.69 61.19 1xk0 s THR 108 Cb 0.07 -3.07 0.26 0.00 1.34 0.00 0.00 72.50 71.10 1xk0 s THR 108 CO -0.17 -0.46 1.82 -0.65 -0.54 0.00 0.00 174.62 174.62 1xk0 h PRO 109 N -1.11 0.86 -0.25 3.99 0.11 -2.01 0.16 132.00 133.75 1xk0 h PRO 109 Ca -0.47 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.49 1xk0 h PRO 109 Cb 1.27 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1xk0 h PRO 109 CO 0.59 0.57 -0.25 0.00 -0.21 0.00 0.00 178.00 178.70 1xk0 h ALA 110 N 1.53 1.11 -0.17 -0.75 0.00 -1.93 0.82 119.26 119.87 1xk0 h ALA 110 Ca 0.48 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1xk0 h ALA 110 Cb 0.50 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1xk0 h ALA 110 CO -0.28 0.55 -0.05 0.52 0.00 0.00 0.00 179.25 180.00 1xk0 h MET 111 N 0.42 0.33 -0.65 0.00 2.86 -1.56 -2.56 114.93 113.77 1xk0 h MET 111 Ca 0.06 -0.13 0.03 0.00 -2.06 0.00 0.00 59.70 57.60 1xk0 h MET 111 Cb 0.66 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.26 1xk0 h MET 111 CO 0.05 0.61 0.40 1.96 1.06 0.00 0.00 176.91 180.99 1xk0 h GLN 112 N 0.03 0.77 -0.75 1.72 4.20 -0.68 -0.82 115.11 119.58 1xk0 h GLN 112 Ca 0.04 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1xk0 h GLN 112 Cb 0.49 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 28.06 1xk0 h GLN 112 CO 0.02 0.51 0.46 -0.09 -0.67 0.00 0.00 178.83 179.06 1xk0 h ARG 113 N 0.80 1.02 -0.16 1.46 2.43 -0.78 0.27 114.38 119.41 1xk0 h ARG 113 Ca 0.26 -0.09 -0.07 0.00 -0.81 0.00 0.00 59.98 59.27 1xk0 h ARG 113 Cb 0.01 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.34 1xk0 h ARG 113 CO -0.10 0.71 -0.19 -0.92 -1.51 0.00 0.00 179.97 177.96 1xk0 h TYR 114 N 1.04 0.49 -0.84 2.20 5.03 -1.00 -2.57 116.97 121.32 1xk0 h TYR 114 Ca 0.27 -0.16 0.01 0.00 2.58 0.00 0.00 58.73 61.43 1xk0 h TYR 114 Cb -0.05 -0.10 -0.04 0.00 1.55 0.00 0.00 36.73 38.09 1xk0 h TYR 114 CO 0.00 0.81 0.55 0.28 -1.32 0.00 0.00 178.16 178.48 1xk0 h VAL 115 N 0.04 1.22 -0.05 1.81 2.07 -0.70 -2.06 116.25 118.58 1xk0 h VAL 115 Ca 0.02 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1xk0 h VAL 115 Cb 0.74 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1xk0 h VAL 115 CO 0.04 0.21 0.03 0.50 0.02 0.00 0.00 177.57 178.38 1xk0 h LYS 116 N 1.13 0.06 -0.25 1.57 3.64 -0.42 -1.76 116.57 120.55 1xk0 h LYS 116 Ca 0.31 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.64 1xk0 h LYS 116 Cb -0.13 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 1xk0 h LYS 116 CO -0.07 0.06 -0.03 -0.09 -2.27 0.00 0.00 179.45 177.05 1xk0 h ARG 117 N 0.05 0.38 -0.32 1.90 9.65 -1.25 0.32 114.38 125.12 1xk0 h ARG 117 Ca 0.02 -0.08 -0.01 0.00 -1.10 0.00 0.00 59.98 58.81 1xk0 h ARG 117 Cb 0.01 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.51 1xk0 h ARG 117 CO -0.00 0.44 0.15 -0.07 2.80 0.00 0.00 179.97 183.28 1xk0 h LEU 118 N 0.37 0.42 -0.47 3.80 3.38 -0.89 -0.24 115.31 121.67 1xk0 h LEU 118 Ca 0.08 -0.13 -0.15 0.00 0.09 0.00 0.00 57.88 57.77 1xk0 h LEU 118 Cb 0.30 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1xk0 h LEU 118 CO 0.01 0.43 -0.36 0.45 0.09 0.00 0.00 178.44 179.06 1xk0 h HIS 119 N 0.38 1.03 -0.68 1.13 3.86 -0.87 -0.46 115.15 119.54 1xk0 h HIS 119 Ca 0.11 -0.30 0.02 0.00 -1.16 0.00 0.00 60.37 59.04 1xk0 h HIS 119 Cb 0.13 -0.22 -0.04 0.00 1.06 0.00 0.00 27.41 28.34 1xk0 h HIS 119 CO -0.02 1.10 0.44 0.93 0.86 0.00 0.00 177.93 181.24 1xk0 h GLU 120 N 0.72 0.86 0.16 2.45 5.08 -0.76 -0.36 114.58 122.72 1xk0 h GLU 120 Ca 0.06 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1xk0 h GLU 120 Cb 0.94 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1xk0 h GLU 120 CO 0.09 0.57 -0.08 0.28 -1.00 0.00 0.00 179.01 178.87 1xk0 h VAL 121 N 0.88 0.96 0.00 3.13 2.07 -0.80 0.18 116.25 122.67 1xk0 h VAL 121 Ca 0.26 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 1xk0 h VAL 121 Cb -0.06 1.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1xk0 h VAL 121 CO -0.07 0.14 -0.09 1.23 0.02 0.00 0.00 177.57 178.80 1xk0 h GLY 122 N -0.52 0.00 0.29 2.17 0.00 -0.97 0.39 103.07 104.43 1xk0 h GLY 122 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.93 1xk0 h GLY 122 CO 0.04 0.00 -2.19 0.54 0.00 0.00 0.00 176.54 174.93 1xk0 n ARG 123 N -3.61 0.70 -0.00 4.80 1.74 -0.16 -4.44 116.66 115.69 1xk0 n ARG 123 Ca -0.02 0.23 0.02 0.00 -0.77 0.00 0.00 57.85 57.31 1xk0 n ARG 123 Cb 0.21 -1.62 -0.03 0.00 -1.02 0.00 0.00 32.46 30.00 1xk0 n ARG 123 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1xk0 n THR 124 N -3.48 0.00 -2.67 0.55 -2.24 0.62 -4.77 114.28 102.29 1xk0 n THR 124 Ca -0.39 -0.26 -0.09 0.00 -2.27 0.00 0.00 64.05 61.04 1xk0 n THR 124 Cb 1.00 0.72 0.03 0.00 -2.10 0.00 0.00 70.33 69.97 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 -1.36 1.40 -0.32 -0.78 1.02 0.15 -4.95 120.64 115.79 1xk0 n GLU 125 Ca 0.00 -3.38 0.33 0.00 -0.02 0.00 0.00 57.16 54.10 1xk0 n GLU 125 Cb 0.09 -1.37 0.72 0.00 -0.02 0.00 0.00 31.44 30.86 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 2.91 0.05 0.00 3.49 0.13 -0.56 0.18 132.00 138.20 1xk0 h PRO 126 Ca -0.08 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1xk0 h PRO 126 Cb 1.18 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1xk0 h PRO 126 CO 0.48 0.04 0.00 -0.85 -0.23 0.00 0.00 178.00 177.43 1xk0 n GLU 127 N -4.25 0.14 0.00 0.86 0.00 -1.26 -1.47 120.64 114.65 1xk0 n GLU 127 Ca 0.25 0.61 0.09 0.00 0.00 0.00 0.00 57.16 58.12 1xk0 n GLU 127 Cb 1.19 -1.93 -0.04 0.00 0.00 0.00 0.00 31.44 30.66 1xk0 n GLU 127 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1xk0 n LEU 128 N -2.22 1.48 -0.10 -1.84 4.77 0.63 -4.45 117.00 115.27 1xk0 n LEU 128 Ca -0.01 -0.66 0.15 0.00 -0.03 0.00 0.00 56.01 55.46 1xk0 n LEU 128 Cb 0.05 0.00 0.53 0.00 -2.33 0.00 0.00 43.42 41.67 1xk0 n LEU 128 CO 0.10 0.30 1.20 0.25 -1.33 0.00 0.00 177.39 177.91 1xk0 h LEU 129 N 1.31 0.32 -1.30 2.23 5.85 -1.35 -0.08 115.31 122.29 1xk0 h LEU 129 Ca 0.00 0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.82 1xk0 h LEU 129 Cb 0.58 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.50 1xk0 h LEU 129 CO 0.00 0.18 0.53 1.62 -0.34 0.00 0.00 178.44 180.43 1xk0 h VAL 130 N 0.34 0.97 -0.89 1.05 3.04 -1.78 -0.60 116.25 118.40 1xk0 h VAL 130 Ca 0.31 -0.27 0.01 0.00 -1.01 0.00 0.00 66.70 65.73 1xk0 h VAL 130 Cb 0.74 0.11 -0.04 0.00 -2.01 0.00 0.00 31.29 30.08 1xk0 h VAL 130 CO -0.08 0.14 0.58 0.00 -1.01 0.00 0.00 177.57 177.20 1xk0 h ALA 131 N 1.58 1.36 0.03 3.17 0.00 -1.29 0.20 119.26 124.30 1xk0 h ALA 131 Ca 0.37 -0.07 -0.25 0.00 0.00 0.00 0.00 54.91 54.96 1xk0 h ALA 131 Cb 0.39 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 17.83 1xk0 h ALA 131 CO -0.14 0.59 -1.05 0.45 0.00 0.00 0.00 179.25 179.10 1xk0 h HIS 132 N 1.20 0.80 -0.38 0.00 -0.00 -1.23 -1.68 115.15 113.86 1xk0 h HIS 132 Ca 0.32 -0.45 -0.08 0.00 -0.00 0.00 0.00 60.37 60.16 1xk0 h HIS 132 Cb -0.13 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 27.19 1xk0 h HIS 132 CO 0.00 1.29 -0.08 0.00 -0.00 0.00 0.00 177.93 179.15 1xk0 h ALA 133 N 0.56 0.53 -0.29 2.45 0.00 -0.89 -1.54 119.26 120.07 1xk0 h ALA 133 Ca -0.12 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1xk0 h ALA 133 Cb 1.70 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 1xk0 h ALA 133 CO 0.19 0.37 0.15 -0.92 0.00 0.00 0.00 179.25 179.04 1xk0 h TYR 134 N 0.54 0.41 0.18 0.00 3.20 -0.65 0.46 116.97 121.11 1xk0 h TYR 134 Ca 0.10 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 1xk0 h TYR 134 Cb 0.59 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.73 1xk0 h TYR 134 CO 0.05 0.35 -0.09 1.15 -1.64 0.00 0.00 178.16 177.98 1xk0 h THR 135 N 0.34 0.85 0.50 1.81 2.02 -1.21 -2.37 112.91 114.85 1xk0 h THR 135 Ca 0.10 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 1xk0 h THR 135 Cb 0.09 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 1xk0 h THR 135 CO -0.01 0.03 -0.24 0.03 0.37 0.00 0.00 175.52 175.69 1xk0 h ARG 136 N -0.30 -0.65 -0.18 6.66 2.47 -1.26 -2.47 114.38 118.66 1xk0 h ARG 136 Ca -0.02 0.04 0.04 0.00 -1.26 0.00 0.00 59.98 58.78 1xk0 h ARG 136 Cb 0.23 0.15 -0.04 0.00 -1.65 0.00 0.00 29.97 28.66 1xk0 h ARG 136 CO 0.04 -0.43 -0.06 1.88 0.56 0.00 0.00 179.97 181.95 1xk0 h TYR 137 N -0.90 -0.14 0.00 3.04 0.05 -1.01 0.14 116.97 118.14 1xk0 h TYR 137 Ca -0.07 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.70 1xk0 h TYR 137 Cb 0.52 0.09 -0.00 0.00 1.01 0.00 0.00 36.73 38.35 1xk0 h TYR 137 CO 0.04 -0.10 -0.11 -0.07 -1.05 0.00 0.00 178.16 176.87 1xk0 h LEU 138 N -0.03 0.00 0.10 3.88 4.07 -1.57 0.20 115.31 121.96 1xk0 h LEU 138 Ca 0.09 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.05 1xk0 h LEU 138 Cb 0.17 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.91 1xk0 h LEU 138 CO -0.20 0.11 -0.05 0.00 -1.08 0.00 0.00 178.44 177.22 1xk0 h ALA 139 N 1.89 -0.14 0.00 1.53 0.00 -0.83 -1.21 119.26 120.50 1xk0 h ALA 139 Ca -0.00 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 1xk0 h ALA 139 Cb 0.52 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1xk0 h ALA 139 CO 0.01 -0.24 -0.37 -0.44 0.00 0.00 0.00 179.25 178.21 1xk0 h ASP 140 N -0.80 0.00 0.53 0.00 3.32 -0.57 -1.83 116.42 117.07 1xk0 h ASP 140 Ca -0.01 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.74 1xk0 h ASP 140 Cb 0.57 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.13 1xk0 h ASP 140 CO 0.02 0.37 -1.34 0.25 -1.72 0.00 0.00 179.24 176.83 1xk0 h LEU 141 N 0.00 0.50 0.09 1.55 5.85 -0.67 -2.31 115.31 120.32 1xk0 h LEU 141 Ca -0.00 -0.55 -0.00 0.00 0.84 0.00 0.00 57.88 58.16 1xk0 h LEU 141 Cb 0.72 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.59 1xk0 h LEU 141 CO 0.05 1.44 -0.05 0.28 -0.34 0.00 0.00 178.44 179.82 1xk0 h SER 142 N 0.09 -0.11 0.20 1.25 0.02 -1.06 -3.37 113.55 110.57 1xk0 h SER 142 Ca -0.18 -0.41 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 1xk0 h SER 142 Cb 2.02 0.03 0.00 0.00 0.14 0.00 0.00 62.40 64.58 1xk0 h SER 142 CO 0.21 0.54 -0.49 0.61 -1.14 0.00 0.00 176.83 176.56 1xk0 n GLY 143 N 1.11 -0.68 0.30 -3.77 0.00 -0.70 -4.48 105.19 96.97 1xk0 n GLY 143 Ca -0.06 -0.48 0.06 0.00 0.00 0.00 0.00 46.02 45.54 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 4.94 0.82 0.93 -0.02 0.00 -1.51 -1.98 103.07 106.24 1xk0 h GLY 144 Ca 0.00 0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 1xk0 h GLY 144 CO 0.00 -0.34 0.13 1.46 0.00 0.00 0.00 176.54 177.79 1xk0 h GLN 145 N 0.05 0.44 -0.54 4.80 7.50 -1.81 0.10 115.11 125.65 1xk0 h GLN 145 Ca 0.44 -0.07 -0.05 0.00 0.50 0.00 0.00 58.65 59.47 1xk0 h GLN 145 Cb 0.77 -0.08 -0.03 0.00 0.05 0.00 0.00 27.48 28.20 1xk0 h GLN 145 CO -0.79 0.44 0.14 -0.39 -1.50 0.00 0.00 178.83 176.73 1xk0 h VAL 146 N 0.34 1.22 -0.19 -0.54 -1.51 -1.70 0.19 116.25 114.07 1xk0 h VAL 146 Ca 0.10 -0.79 -0.17 0.00 -1.23 0.00 0.00 66.70 64.61 1xk0 h VAL 146 Cb 0.16 0.66 0.00 0.00 -2.13 0.00 0.00 31.29 29.98 1xk0 h VAL 146 CO -0.01 0.30 -0.56 -0.07 -1.23 0.00 0.00 177.57 176.00 1xk0 h LEU 147 N 0.80 0.82 0.27 4.19 3.38 -1.20 0.37 115.31 123.94 1xk0 h LEU 147 Ca 0.18 -0.58 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 1xk0 h LEU 147 Cb 0.28 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1xk0 h LEU 147 CO -0.00 1.26 -0.13 0.50 0.09 0.00 0.00 178.44 180.16 1xk0 h LYS 148 N 0.42 -0.35 -0.45 1.13 3.64 -0.51 0.26 116.57 120.72 1xk0 h LYS 148 Ca -0.02 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.48 1xk0 h LYS 148 Cb 1.18 0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.99 1xk0 h LYS 148 CO 0.12 -0.21 -0.11 -0.22 -2.27 0.00 0.00 179.45 176.76 1xk0 h LYS 149 N -0.39 0.00 -0.82 1.90 1.63 -0.60 0.49 116.57 118.77 1xk0 h LYS 149 Ca -0.04 -0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1xk0 h LYS 149 Cb 0.30 -0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.88 1xk0 h LYS 149 CO 0.06 0.00 0.53 0.82 -3.45 0.00 0.00 179.45 177.42 1xk0 h ILE 150 N 0.00 1.16 0.38 2.00 2.04 -0.56 -2.92 117.51 119.61 1xk0 h ILE 150 Ca 0.22 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 1xk0 h ILE 150 Cb 0.33 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 1xk0 h ILE 150 CO -0.46 0.19 -0.28 0.00 0.00 0.00 0.00 178.15 177.60 1xk0 h ALA 151 N 1.33 -0.66 0.00 1.87 0.00 0.17 0.17 119.26 122.14 1xk0 h ALA 151 Ca 0.32 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1xk0 h ALA 151 Cb -0.05 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1xk0 h ALA 151 CO -0.09 -0.89 -0.10 -0.56 0.00 0.00 0.00 179.25 177.60 1xk0 h GLN 152 N -0.66 0.00 0.15 0.00 3.07 -1.19 0.78 115.11 117.26 1xk0 h GLN 152 Ca -0.03 0.00 -0.29 0.00 0.09 0.00 0.00 58.65 58.42 1xk0 h GLN 152 Cb 0.57 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.14 1xk0 h GLN 152 CO -0.00 0.10 -1.29 0.87 0.09 0.00 0.00 178.83 178.61 1xk0 h LYS 153 N 0.00 0.33 0.03 0.06 1.79 -1.32 -2.93 116.57 114.54 1xk0 h LYS 153 Ca -0.00 -0.56 -0.30 0.00 -2.18 0.00 0.00 60.65 57.61 1xk0 h LYS 153 Cb 0.19 0.21 -0.04 0.00 -1.58 0.00 0.00 32.23 31.01 1xk0 h LYS 153 CO 0.01 1.27 -1.67 0.00 -1.08 0.00 0.00 179.45 177.98 1xk0 h ALA 154 N 0.49 0.62 0.00 3.86 0.00 -0.58 -3.36 119.26 120.29 1xk0 h ALA 154 Ca -0.16 -1.36 -0.15 0.00 0.00 0.00 0.00 54.91 53.24 1xk0 h ALA 154 Cb 2.01 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 20.22 1xk0 h ALA 154 CO 0.22 1.46 -0.69 -0.07 0.00 0.00 0.00 179.25 180.17 1xk0 h LEU 155 N 0.02 0.00 -2.81 0.00 -0.00 0.42 -3.48 115.31 109.46 1xk0 h LEU 155 Ca -0.28 0.00 -0.45 0.00 -0.00 0.00 0.00 57.88 57.15 1xk0 h LEU 155 Cb 1.99 0.00 0.05 0.00 -0.00 0.00 0.00 40.66 42.70 1xk0 h LEU 155 CO 0.10 0.69 -0.92 -0.67 -0.00 0.00 0.00 178.44 177.64 1xk0 n ASP 156 N -3.30 -3.78 -4.88 -0.43 2.03 -1.11 -4.94 116.55 100.13 1xk0 n ASP 156 Ca 0.01 -1.01 -0.29 0.00 0.52 0.00 0.00 54.79 54.02 1xk0 n ASP 156 Cb 0.80 -3.31 -0.00 0.00 -0.72 0.00 0.00 41.12 37.88 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 -6.63 3.51 0.75 -2.67 2.34 -1.26 -5.05 118.68 109.67 1xk0 s LEU 157 Ca 0.33 1.19 -0.13 0.00 0.06 0.00 0.00 54.13 55.57 1xk0 s LEU 157 Cb -0.12 -4.16 0.05 0.00 -0.56 0.00 0.00 46.19 41.40 1xk0 s LEU 157 CO 0.87 -0.66 1.14 -2.16 -1.06 0.00 0.00 176.35 174.48 1xk0 s PRO 158 N -4.71 2.17 0.00 1.48 0.04 -1.26 -4.83 135.00 127.89 1xk0 s PRO 158 Ca 0.52 1.48 0.00 0.00 0.04 0.00 0.00 61.00 63.04 1xk0 s PRO 158 Cb -0.11 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1xk0 s PRO 158 CO 0.45 -1.75 0.70 0.43 0.04 0.00 0.00 177.00 176.86 1xk0 n SER 159 N -3.07 2.00 0.30 6.66 7.64 -1.26 -4.06 113.62 121.83 1xk0 n SER 159 Ca 0.11 -1.28 0.16 0.00 1.01 0.00 0.00 58.87 58.87 1xk0 n SER 159 Cb 0.52 -0.37 0.94 0.00 -1.01 0.00 0.00 64.21 64.29 1xk0 n SER 159 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1xk0 h SER 160 N 1.24 0.00 -0.20 6.43 0.87 -2.04 -3.46 113.55 116.39 1xk0 h SER 160 Ca 0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 1xk0 h SER 160 Cb 0.56 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.51 1xk0 h SER 160 CO 0.00 0.00 -0.04 0.61 -0.53 0.00 0.00 176.83 176.87 1xk0 n GLY 161 N -1.30 0.38 3.50 5.77 0.00 -1.26 -5.04 105.19 107.24 1xk0 n GLY 161 Ca -0.03 -0.88 -0.09 0.00 0.00 0.00 0.00 46.02 45.02 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 -3.38 1.38 0.00 1.61 -1.05 -1.26 -4.95 118.70 111.04 1xk0 s GLU 162 Ca 0.00 -1.05 0.00 0.00 -0.15 0.00 0.00 54.97 53.77 1xk0 s GLU 162 Cb 0.00 0.47 0.00 0.00 -0.44 0.00 0.00 34.13 34.16 1xk0 s GLU 162 CO 0.00 -0.57 0.00 0.41 0.95 0.00 0.00 175.26 176.05 1xk0 n GLY 163 N -0.32 2.75 0.27 -3.83 0.00 -1.26 -4.92 105.19 97.87 1xk0 n GLY 163 Ca -0.07 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.03 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 2.30 -0.20 0.99 4.77 -1.26 -4.75 117.00 118.84 1xk0 n LEU 164 Ca 0.00 -3.18 -0.00 0.00 -0.03 0.00 0.00 56.01 52.80 1xk0 n LEU 164 Cb 0.00 -0.43 0.23 0.00 -2.33 0.00 0.00 43.42 40.89 1xk0 n LEU 164 CO 0.00 0.87 1.17 0.00 -1.33 0.00 0.00 177.39 178.10 1xk0 h ALA 165 N 0.29 1.39 -1.08 -1.18 0.00 -1.91 -2.79 119.26 113.97 1xk0 h ALA 165 Ca -0.00 -0.09 0.31 0.00 0.00 0.00 0.00 54.91 55.12 1xk0 h ALA 165 Cb 1.04 -0.29 -0.12 0.00 0.00 0.00 0.00 17.79 18.42 1xk0 h ALA 165 CO 0.00 0.52 0.67 0.35 0.00 0.00 0.00 179.25 180.79 1xk0 h PHE 166 N 0.98 0.75 0.00 0.00 3.57 -1.86 0.35 116.94 120.74 1xk0 h PHE 166 Ca 0.25 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.78 1xk0 h PHE 166 Cb -0.01 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.52 1xk0 h PHE 166 CO 0.00 -0.05 0.00 1.19 -2.23 0.00 0.00 178.31 177.22 1xk0 n PHE 167 N -4.79 0.00 -4.08 0.41 3.72 -1.05 -4.65 117.46 107.02 1xk0 n PHE 167 Ca 0.30 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.35 1xk0 n PHE 167 Cb 1.00 -0.35 -0.15 0.00 -0.94 0.00 0.00 39.48 39.05 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 -2.69 3.01 -0.73 4.37 2.01 0.11 -4.66 115.64 117.07 1xk0 s THR 168 Ca 0.21 -0.62 -0.16 0.00 0.31 0.00 0.00 61.69 61.43 1xk0 s THR 168 Cb 0.17 -2.34 0.16 0.00 0.01 0.00 0.00 72.50 70.51 1xk0 s THR 168 CO 0.41 0.47 0.74 -0.36 -0.69 0.00 0.00 174.62 175.19 1xk0 s PHE 169 N 1.27 3.41 0.33 4.92 0.40 -1.26 -4.93 117.98 122.12 1xk0 s PHE 169 Ca 0.03 -1.55 0.05 0.00 -0.60 0.00 0.00 56.93 54.86 1xk0 s PHE 169 Cb -0.14 -3.91 0.69 0.00 0.51 0.00 0.00 43.02 40.16 1xk0 s PHE 169 CO -0.04 -1.12 1.88 -1.00 0.70 0.00 0.00 175.22 175.64 1xk0 h PRO 170 N 8.45 0.81 -0.87 0.24 0.13 -1.93 -2.26 132.00 136.58 1xk0 h PRO 170 Ca -0.06 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1xk0 h PRO 170 Cb 1.06 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1xk0 h PRO 170 CO 0.93 0.54 0.00 0.09 -0.23 0.00 0.00 178.00 179.33 1xk0 n ASN 171 N -4.55 2.07 -3.78 1.44 5.03 -1.26 -4.60 115.26 109.61 1xk0 n ASN 171 Ca 0.16 -2.21 -0.30 0.00 0.87 0.00 0.00 54.58 53.10 1xk0 n ASN 171 Cb 0.36 -0.52 -0.15 0.00 -1.02 0.00 0.00 39.78 38.44 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 -1.44 1.04 0.19 2.41 1.01 -0.85 -4.61 121.20 118.96 1xk0 s ILE 172 Ca 0.13 -1.40 -0.07 0.00 0.00 0.00 0.00 60.65 59.30 1xk0 s ILE 172 Cb 0.10 -1.73 0.05 0.00 0.01 0.00 0.00 42.46 40.89 1xk0 s ILE 172 CO 0.04 -0.58 1.63 0.00 0.00 0.00 0.00 174.94 176.03 1xk0 h ALA 173 N 8.04 0.84 -3.30 9.38 0.00 -1.84 -3.42 119.26 128.97 1xk0 h ALA 173 Ca -0.13 -0.35 -0.52 0.00 0.00 0.00 0.00 54.91 53.91 1xk0 h ALA 173 Cb 1.03 -0.19 -0.40 0.00 0.00 0.00 0.00 17.79 18.24 1xk0 h ALA 173 CO 0.46 0.65 -0.77 0.45 0.00 0.00 0.00 179.25 180.05 1xk0 s SER 174 N -6.68 2.96 0.19 0.00 0.15 -1.26 -5.02 113.70 104.05 1xk0 s SER 174 Ca -0.11 -0.84 -0.11 0.00 0.70 0.00 0.00 55.95 55.59 1xk0 s SER 174 Cb 0.13 -0.63 0.17 0.00 -1.71 0.00 0.00 66.02 63.98 1xk0 s SER 174 CO 0.85 -0.30 1.81 0.00 1.20 0.00 0.00 173.24 176.80 1xk0 h ALA 175 N 8.23 0.78 -0.72 5.45 0.00 -1.96 0.14 119.26 131.17 1xk0 h ALA 175 Ca -0.16 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1xk0 h ALA 175 Cb 1.12 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1xk0 h ALA 175 CO 0.34 0.03 0.46 1.79 0.00 0.00 0.00 179.25 181.87 1xk0 h THR 176 N 0.64 1.19 -0.33 0.00 1.35 -1.96 0.19 112.91 113.99 1xk0 h THR 176 Ca 0.26 -0.38 -0.17 0.00 -0.55 0.00 0.00 66.41 65.56 1xk0 h THR 176 Cb 0.11 0.16 -0.00 0.00 -1.73 0.00 0.00 68.15 66.69 1xk0 h THR 176 CO -0.15 0.19 -0.47 0.11 -0.25 0.00 0.00 175.52 174.96 1xk0 h LYS 177 N 0.98 0.90 -0.48 4.72 1.57 -1.84 -2.32 116.57 120.10 1xk0 h LYS 177 Ca 0.26 -0.53 -0.04 0.00 -1.87 0.00 0.00 60.65 58.47 1xk0 h LYS 177 Cb -0.08 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1xk0 h LYS 177 CO -0.05 1.17 0.13 0.35 -0.57 0.00 0.00 179.45 180.47 1xk0 h PHE 178 N 0.70 0.74 -0.63 -1.35 3.57 -0.31 -1.52 116.94 118.14 1xk0 h PHE 178 Ca 0.04 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 1xk0 h PHE 178 Cb 1.07 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.56 1xk0 h PHE 178 CO 0.07 0.62 0.32 0.87 -2.23 0.00 0.00 178.31 177.97 1xk0 h LYS 179 N 0.71 0.90 -0.50 1.11 1.57 -0.45 0.24 116.57 120.14 1xk0 h LYS 179 Ca 0.16 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1xk0 h LYS 179 Cb 0.25 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1xk0 h LYS 179 CO -0.00 0.70 0.30 1.96 -0.57 0.00 0.00 179.45 181.84 1xk0 h GLN 180 N 0.87 0.67 -0.32 3.15 4.20 -0.85 0.19 115.11 123.02 1xk0 h GLN 180 Ca 0.22 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.86 1xk0 h GLN 180 Cb 0.09 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1xk0 h GLN 180 CO -0.03 0.49 0.15 1.25 -0.67 0.00 0.00 178.83 180.01 1xk0 h LEU 181 N 0.66 0.43 -0.53 1.46 5.85 -0.92 -1.01 115.31 121.25 1xk0 h LEU 181 Ca 0.18 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1xk0 h LEU 181 Cb -0.01 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 1xk0 h LEU 181 CO -0.03 0.44 0.24 0.22 -0.34 0.00 0.00 178.44 178.97 1xk0 h TYR 182 N 0.38 0.77 -0.72 1.25 5.03 -0.15 0.34 116.97 123.87 1xk0 h TYR 182 Ca 0.11 -0.04 -0.04 0.00 2.58 0.00 0.00 58.73 61.34 1xk0 h TYR 182 Cb 0.14 -0.24 -0.03 0.00 1.55 0.00 0.00 36.73 38.15 1xk0 h TYR 182 CO -0.01 0.62 0.30 0.93 -1.32 0.00 0.00 178.16 178.67 1xk0 h GLU 183 N 0.71 1.07 -0.70 1.82 5.08 -0.53 -0.14 114.58 121.90 1xk0 h GLU 183 Ca 0.18 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1xk0 h GLU 183 Cb 0.15 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1xk0 h GLU 183 CO -0.02 0.87 0.35 1.03 -1.00 0.00 0.00 179.01 180.24 1xk0 h SER 184 N 1.03 0.90 -0.32 1.42 0.87 -0.75 -0.17 113.55 116.54 1xk0 h SER 184 Ca 0.24 -0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 1xk0 h SER 184 Cb 0.19 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 1xk0 h SER 184 CO -0.02 0.77 0.10 0.03 -0.53 0.00 0.00 176.83 177.18 1xk0 h ARG 185 N 0.97 0.49 -0.49 2.24 2.47 -0.48 -1.07 114.38 118.52 1xk0 h ARG 185 Ca 0.24 -0.10 0.06 0.00 -1.26 0.00 0.00 59.98 58.91 1xk0 h ARG 185 Cb 0.10 -0.07 -0.05 0.00 -1.65 0.00 0.00 29.97 28.30 1xk0 h ARG 185 CO -0.03 0.53 0.20 0.52 0.56 0.00 0.00 179.97 181.75 1xk0 h MET 186 N 0.36 0.39 0.00 0.04 2.86 -0.65 -0.75 114.93 117.18 1xk0 h MET 186 Ca 0.10 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1xk0 h MET 186 Cb 0.24 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.81 1xk0 h MET 186 CO -0.00 0.26 0.00 0.09 1.06 0.00 0.00 176.91 178.32 1xk0 n ASN 187 N -4.96 0.55 0.18 1.22 3.02 -0.11 -1.69 115.26 113.47 1xk0 n ASN 187 Ca 0.04 0.64 0.12 0.00 -0.03 0.00 0.00 54.58 55.35 1xk0 n ASN 187 Cb 0.17 -0.75 0.15 0.00 -0.61 0.00 0.00 39.78 38.73 1xk0 n ASN 187 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1xk0 h SER 188 N 0.00 0.00 -3.61 6.41 4.64 0.20 -3.46 113.55 117.73 1xk0 h SER 188 Ca 0.00 -0.01 -0.53 0.00 -0.47 0.00 0.00 61.79 60.78 1xk0 h SER 188 Cb 0.34 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.52 1xk0 h SER 188 CO 0.00 0.00 0.84 -0.76 -0.87 0.00 0.00 176.83 176.05 1xk0 s LEU 189 N -5.82 4.33 -0.31 5.97 1.43 -0.68 -4.97 118.68 118.62 1xk0 s LEU 189 Ca 0.06 3.01 -0.14 0.00 -1.03 0.00 0.00 54.13 56.03 1xk0 s LEU 189 Cb 0.07 -3.65 -0.03 0.00 0.03 0.00 0.00 46.19 42.61 1xk0 s LEU 189 CO 0.69 -0.91 0.30 -0.70 0.23 0.00 0.00 176.35 175.97 1xk0 s GLU 190 N -1.24 3.73 -0.01 1.70 2.56 -1.26 -5.05 118.70 119.13 1xk0 s GLU 190 Ca 0.59 -0.34 -0.11 0.00 0.00 0.00 0.00 54.97 55.10 1xk0 s GLU 190 Cb -0.47 -3.74 0.01 0.00 2.00 0.00 0.00 34.13 31.93 1xk0 s GLU 190 CO 0.55 -0.38 0.24 0.00 -0.56 0.00 0.00 175.26 175.11 1xk0 s MET 191 N 1.92 0.57 0.80 4.30 0.23 -1.26 -4.94 119.30 120.91 1xk0 s MET 191 Ca 0.10 -0.24 -0.11 0.00 -1.03 0.00 0.00 55.69 54.41 1xk0 s MET 191 Cb -0.16 0.25 0.07 0.00 -1.53 0.00 0.00 34.83 33.46 1xk0 s MET 191 CO 0.11 -0.15 1.09 0.95 -2.03 0.00 0.00 175.02 175.00 1xk0 s THR 192 N -1.26 3.09 0.48 3.16 -4.23 -1.26 -4.80 115.64 110.81 1xk0 s THR 192 Ca -0.13 0.35 0.14 0.00 -1.18 0.00 0.00 61.69 60.87 1xk0 s THR 192 Cb -0.06 -3.07 0.28 0.00 1.34 0.00 0.00 72.50 70.99 1xk0 s THR 192 CO 0.03 -0.46 2.10 1.55 -0.54 0.00 0.00 174.62 177.30 1xk0 h PRO 193 N -1.11 0.18 -0.25 3.99 0.13 -2.01 -1.17 132.00 131.77 1xk0 h PRO 193 Ca -0.47 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 1xk0 h PRO 193 Cb 1.27 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1xk0 h PRO 193 CO 0.59 0.12 0.07 0.00 -0.23 0.00 0.00 178.00 178.55 1xk0 h ALA 194 N 1.89 0.32 -0.43 -0.56 0.00 -1.99 -1.06 119.26 117.42 1xk0 h ALA 194 Ca 0.08 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1xk0 h ALA 194 Cb 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1xk0 h ALA 194 CO -0.01 -0.04 -0.17 0.28 0.00 0.00 0.00 179.25 179.31 1xk0 h VAL 195 N 0.23 1.27 -0.81 0.00 2.07 -1.79 -1.60 116.25 115.61 1xk0 h VAL 195 Ca 0.08 -1.27 -0.04 0.00 0.82 0.00 0.00 66.70 66.28 1xk0 h VAL 195 Cb 0.25 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 1xk0 h VAL 195 CO -0.00 0.43 0.33 -0.09 0.02 0.00 0.00 177.57 178.26 1xk0 h ARG 196 N 0.73 1.20 -0.48 1.57 2.43 -1.07 0.19 114.38 118.96 1xk0 h ARG 196 Ca 0.11 -0.21 -0.07 0.00 -0.81 0.00 0.00 59.98 59.00 1xk0 h ARG 196 Cb 0.68 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 1xk0 h ARG 196 CO 0.05 0.97 0.03 1.96 -1.51 0.00 0.00 179.97 181.47 1xk0 h GLN 197 N 1.17 0.82 -0.16 0.20 4.20 -0.98 -1.14 115.11 119.22 1xk0 h GLN 197 Ca 0.27 -0.24 -0.09 0.00 0.06 0.00 0.00 58.65 58.64 1xk0 h GLN 197 Cb 0.21 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 1xk0 h GLN 197 CO -0.02 0.85 -0.32 0.00 -0.67 0.00 0.00 178.83 178.67 1xk0 h ARG 198 N 0.68 0.32 -0.38 1.46 3.08 -0.74 -0.27 114.38 118.53 1xk0 h ARG 198 Ca 0.14 -0.13 -0.14 0.00 0.07 0.00 0.00 59.98 59.92 1xk0 h ARG 198 Cb 0.46 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1xk0 h ARG 198 CO 0.02 0.61 -0.33 0.28 -1.07 0.00 0.00 179.97 179.48 1xk0 h VAL 199 N 0.28 1.28 -0.18 2.04 2.07 -0.45 0.26 116.25 121.55 1xk0 h VAL 199 Ca 0.04 -1.49 -0.00 0.00 0.82 0.00 0.00 66.70 66.06 1xk0 h VAL 199 Cb 0.70 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1xk0 h VAL 199 CO 0.05 0.50 0.10 0.40 0.02 0.00 0.00 177.57 178.64 1xk0 h ILE 200 N 0.71 1.10 -0.16 4.57 1.08 -0.94 -0.81 117.51 123.06 1xk0 h ILE 200 Ca 0.07 -0.29 -0.05 0.00 -0.39 0.00 0.00 64.86 64.20 1xk0 h ILE 200 Cb 0.91 0.97 -0.01 0.00 -3.07 0.00 0.00 36.82 35.62 1xk0 h ILE 200 CO 0.08 0.10 -0.13 -0.33 -0.69 0.00 0.00 178.15 177.18 1xk0 h GLU 201 N 0.19 0.26 0.00 2.37 4.39 -0.86 -2.12 114.58 118.80 1xk0 h GLU 201 Ca 0.06 -0.06 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 1xk0 h GLU 201 Cb 0.07 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 1xk0 h GLU 201 CO -0.01 0.39 -0.42 1.49 -1.16 0.00 0.00 179.01 179.30 1xk0 h GLU 202 N 0.24 0.00 -0.21 2.33 4.57 0.04 -1.64 114.58 119.92 1xk0 h GLU 202 Ca 0.05 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.21 1xk0 h GLU 202 Cb 0.38 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 1xk0 h GLU 202 CO 0.02 0.42 0.07 0.00 -1.18 0.00 0.00 179.01 178.34 1xk0 h ALA 203 N 1.58 0.27 -0.50 2.92 0.00 -0.48 0.29 119.26 123.34 1xk0 h ALA 203 Ca -0.00 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1xk0 h ALA 203 Cb 1.01 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1xk0 h ALA 203 CO 0.06 -0.11 0.32 0.87 0.00 0.00 0.00 179.25 180.38 1xk0 h LYS 204 N 0.16 0.62 -1.00 0.00 1.57 -1.33 -1.22 116.57 115.37 1xk0 h LYS 204 Ca 0.07 -0.04 0.09 0.00 -1.87 0.00 0.00 60.65 58.90 1xk0 h LYS 204 Cb 0.22 -0.14 -0.07 0.00 0.08 0.00 0.00 32.23 32.32 1xk0 h LYS 204 CO -0.00 0.41 0.64 1.15 -0.57 0.00 0.00 179.45 181.07 1xk0 h THR 205 N 0.64 1.02 -0.44 -0.16 2.02 -0.90 0.05 112.91 115.14 1xk0 h THR 205 Ca 0.19 -0.38 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 1xk0 h THR 205 Cb -0.04 -0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.18 1xk0 h THR 205 CO -0.06 0.20 0.27 0.00 0.37 0.00 0.00 175.52 176.30 1xk0 h ALA 206 N 1.48 0.56 -0.48 6.16 0.00 0.18 -0.24 119.26 126.92 1xk0 h ALA 206 Ca 0.45 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.28 1xk0 h ALA 206 Cb 0.29 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1xk0 h ALA 206 CO -0.21 0.05 0.17 0.74 0.00 0.00 0.00 179.25 180.00 1xk0 h PHE 207 N 0.59 0.74 -0.76 0.00 -1.00 -0.39 -2.30 116.94 113.82 1xk0 h PHE 207 Ca 0.16 -0.06 0.05 0.00 2.81 0.00 0.00 57.97 60.93 1xk0 h PHE 207 Cb -0.01 -0.22 -0.05 0.00 3.61 0.00 0.00 35.95 39.27 1xk0 h PHE 207 CO -0.03 0.64 0.46 -0.07 -1.61 0.00 0.00 178.31 177.70 1xk0 h LEU 208 N 0.63 0.72 -1.23 1.54 3.38 -0.58 0.39 115.31 120.16 1xk0 h LEU 208 Ca 0.16 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1xk0 h LEU 208 Cb 0.23 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1xk0 h LEU 208 CO -0.01 0.47 0.37 -0.07 0.09 0.00 0.00 178.44 179.29 1xk0 h LEU 209 N 0.86 0.80 -0.00 1.67 3.38 -0.80 0.23 115.31 121.45 1xk0 h LEU 209 Ca 0.33 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 1xk0 h LEU 209 Cb 0.14 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1xk0 h LEU 209 CO -0.16 0.63 -0.00 0.78 0.09 0.00 0.00 178.44 179.78 1xk0 h ASN 210 N 0.91 0.00 -0.54 -0.43 2.35 -0.56 -1.63 115.58 115.68 1xk0 h ASN 210 Ca 0.23 -0.50 0.10 0.00 -0.55 0.00 0.00 56.30 55.58 1xk0 h ASN 210 Cb 0.01 -0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.30 1xk0 h ASN 210 CO -0.04 0.51 0.10 0.40 -1.65 0.00 0.00 177.43 176.75 1xk0 h ILE 211 N -0.50 0.67 0.00 2.81 2.04 0.23 0.33 117.51 123.09 1xk0 h ILE 211 Ca 0.00 -0.08 -0.05 0.00 1.00 0.00 0.00 64.86 65.73 1xk0 h ILE 211 Cb 0.50 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1xk0 h ILE 211 CO 0.00 0.04 -0.25 0.06 0.00 0.00 0.00 178.15 178.01 1xk0 h GLN 212 N 0.24 0.00 0.11 2.37 3.07 -0.53 -0.88 115.11 119.48 1xk0 h GLN 212 Ca 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 59.01 1xk0 h GLN 212 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.96 1xk0 h GLN 212 CO -0.37 0.25 -0.05 1.25 0.09 0.00 0.00 178.83 179.99 1xk0 h LEU 213 N 0.00 -0.13 -0.01 0.06 5.85 0.54 -1.90 115.31 119.73 1xk0 h LEU 213 Ca -0.00 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.50 1xk0 h LEU 213 Cb 0.51 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 1xk0 h LEU 213 CO 0.03 0.18 -0.18 -0.26 -0.34 0.00 0.00 178.44 177.87 1xk0 h PHE 214 N -0.45 -0.47 -0.65 1.25 0.04 -0.42 -0.28 116.94 115.96 1xk0 h PHE 214 Ca -0.02 0.02 0.12 0.00 2.80 0.00 0.00 57.97 60.90 1xk0 h PHE 214 Cb 0.36 0.21 -0.12 0.00 2.20 0.00 0.00 35.95 38.60 1xk0 h PHE 214 CO 0.02 -0.26 -0.24 0.93 -0.60 0.00 0.00 178.31 178.16 1xk0 h GLU 215 N -0.29 -0.07 -0.33 1.51 5.08 -1.14 0.41 114.58 119.75 1xk0 h GLU 215 Ca 0.06 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1xk0 h GLU 215 Cb 0.37 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1xk0 h GLU 215 CO -0.18 -0.05 0.21 1.49 -1.00 0.00 0.00 179.01 179.48 1xk0 h GLU 216 N -0.07 0.44 0.00 2.33 4.81 -0.48 -1.38 114.58 120.23 1xk0 h GLU 216 Ca 0.29 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1xk0 h GLU 216 Cb 0.53 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1xk0 h GLU 216 CO -0.70 0.32 0.00 -0.07 -0.73 0.00 0.00 179.01 177.83 1xk0 h LEU 217 N 0.43 0.00 0.25 1.64 3.38 0.14 0.02 115.31 121.17 1xk0 h LEU 217 Ca 0.12 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.75 1xk0 h LEU 217 Cb -0.01 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.77 1xk0 h LEU 217 CO -0.02 0.00 -1.50 -0.61 0.09 0.00 0.00 178.44 176.40 1xk0 h GLN 218 N 0.00 0.53 -0.25 1.13 5.75 0.05 -1.97 115.11 120.35 1xk0 h GLN 218 Ca 0.00 -0.90 -0.09 0.00 -0.15 0.00 0.00 58.65 57.51 1xk0 h GLN 218 Cb 0.17 0.34 -0.01 0.00 1.07 0.00 0.00 27.48 29.04 1xk0 h GLN 218 CO 0.00 1.43 -0.23 1.49 -2.65 0.00 0.00 178.83 178.87 1xk0 h GLU 219 N 0.14 0.46 -0.06 1.69 4.22 -0.23 -2.13 114.58 118.67 1xk0 h GLU 219 Ca -0.26 -0.17 -0.09 0.00 0.08 0.00 0.00 59.36 58.93 1xk0 h GLU 219 Cb 2.17 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.39 1xk0 h GLU 219 CO 0.27 0.67 -0.30 -0.07 -2.18 0.00 0.00 179.01 177.39 1xk0 h LEU 220 N 0.41 0.37 -0.57 1.64 3.38 -1.09 -3.33 115.31 116.11 1xk0 h LEU 220 Ca 0.06 -0.66 -0.04 0.00 0.09 0.00 0.00 57.88 57.34 1xk0 h LEU 220 Cb 0.63 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1xk0 h LEU 220 CO 0.05 0.97 0.19 -0.07 0.09 0.00 0.00 178.44 179.67 1xk0 h LEU 221 N -0.20 0.82 -7.03 1.67 3.38 -1.29 -3.29 115.31 109.38 1xk0 h LEU 221 Ca -0.02 -0.20 -0.78 0.00 0.09 0.00 0.00 57.88 56.97 1xk0 h LEU 221 Cb 0.96 -0.22 -0.23 0.00 0.09 0.00 0.00 40.66 41.26 1xk0 h LEU 221 CO 0.06 0.80 1.14 0.35 0.09 0.00 0.00 178.44 180.88 1xk0 n THR 222 N -4.44 4.77 -1.23 0.22 -2.24 -0.81 -5.10 114.28 105.45 1xk0 n THR 222 Ca 0.03 -5.25 0.00 0.00 -2.27 0.00 0.00 64.05 56.56 1xk0 n THR 222 Cb 0.19 -2.31 0.00 0.00 -2.10 0.00 0.00 70.33 66.12 1xk0 n THR 222 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07