#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xk1 h GLN 11 N 0.00 0.00 -6.50 -0.52 3.07 -2.01 -3.35 115.11 105.79 1xk1 h GLN 11 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 58.65 58.21 1xk1 h GLN 11 Cb 0.00 0.00 0.03 0.00 0.08 0.00 0.00 27.48 27.59 1xk1 h GLN 11 CO 0.00 0.70 1.00 -0.51 0.09 0.00 0.00 178.83 180.11 1xk1 s ASP 12 N -6.54 6.55 0.26 0.06 1.01 -1.26 -4.87 116.67 111.88 1xk1 s ASP 12 Ca 0.02 2.59 -0.02 0.00 0.71 0.00 0.00 52.55 55.86 1xk1 s ASP 12 Cb 0.09 -2.57 0.55 0.00 1.01 0.00 0.00 42.92 41.99 1xk1 s ASP 12 CO 0.78 -0.90 1.71 0.25 0.21 0.00 0.00 175.17 177.22 1xk1 h LEU 13 N 8.12 0.24 -0.49 1.23 5.85 -1.89 -0.13 115.31 128.24 1xk1 h LEU 13 Ca -0.43 0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.49 1xk1 h LEU 13 Cb 1.21 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 42.30 1xk1 h LEU 13 CO 0.93 0.04 0.16 0.77 -0.34 0.00 0.00 178.44 180.01 1xk1 h SER 14 N 0.40 0.15 0.22 1.25 4.64 -1.89 0.53 113.55 118.85 1xk1 h SER 14 Ca 0.46 0.06 -0.16 0.00 -0.47 0.00 0.00 61.79 61.69 1xk1 h SER 14 Cb 0.78 0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.92 1xk1 h SER 14 CO -0.47 0.11 -0.60 -0.33 -0.87 0.00 0.00 176.83 174.68 1xk1 h GLU 15 N 0.33 0.38 -0.74 4.77 5.08 -1.59 -2.63 114.58 120.17 1xk1 h GLU 15 Ca 0.24 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 1xk1 h GLU 15 Cb 0.26 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1xk1 h GLU 15 CO -0.25 0.86 0.25 0.00 -1.00 0.00 0.00 179.01 178.87 1xk1 h ALA 16 N 1.08 0.97 -0.23 3.43 0.00 -0.27 -1.86 119.26 122.38 1xk1 h ALA 16 Ca -0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1xk1 h ALA 16 Cb 1.12 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1xk1 h ALA 16 CO 0.10 0.64 0.04 -0.07 0.00 0.00 0.00 179.25 179.96 1xk1 h LEU 17 N 1.10 0.36 0.34 0.00 3.38 -0.85 -1.03 115.31 118.61 1xk1 h LEU 17 Ca 0.24 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1xk1 h LEU 17 Cb 0.28 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1xk1 h LEU 17 CO -0.01 0.52 -0.22 0.50 0.09 0.00 0.00 178.44 179.33 1xk1 h LYS 18 N 0.19 -0.51 -0.47 1.13 3.64 -1.34 -1.19 116.57 118.02 1xk1 h LYS 18 Ca 0.07 0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.52 1xk1 h LYS 18 Cb 0.31 0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.21 1xk1 h LYS 18 CO 0.00 -0.34 0.25 1.49 -2.27 0.00 0.00 179.45 178.58 1xk1 h GLU 19 N -0.53 0.49 0.00 1.90 4.81 -1.35 -2.04 114.58 117.86 1xk1 h GLU 19 Ca -0.03 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 1xk1 h GLU 19 Cb 0.45 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1xk1 h GLU 19 CO 0.03 0.32 -0.20 0.00 -0.73 0.00 0.00 179.01 178.43 1xk1 h ALA 20 N 1.23 1.18 -0.25 2.92 0.00 -1.01 -3.00 119.26 120.34 1xk1 h ALA 20 Ca 0.20 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xk1 h ALA 20 Cb 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1xk1 h ALA 20 CO -0.12 0.25 0.00 0.25 0.00 0.00 0.00 179.25 179.64 1xk1 n THR 21 N -3.60 0.34 -0.32 0.00 -2.24 -0.47 -4.44 114.28 103.55 1xk1 n THR 21 Ca -0.01 -0.67 0.03 0.00 -2.27 0.00 0.00 64.05 61.14 1xk1 n THR 21 Cb 0.34 1.13 0.18 0.00 -2.10 0.00 0.00 70.33 69.88 1xk1 n THR 21 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1xk1 h LYS 22 N 4.17 0.88 0.52 -0.78 1.63 -1.22 -0.35 116.57 121.42 1xk1 h LYS 22 Ca 0.00 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.72 1xk1 h LYS 22 Cb 0.92 -0.20 0.01 0.00 -0.60 0.00 0.00 32.23 32.36 1xk1 h LYS 22 CO 0.00 0.58 -0.25 1.49 -3.45 0.00 0.00 179.45 177.82 1xk1 h GLU 23 N 0.91 -0.67 0.00 1.90 4.81 -1.80 -0.95 114.58 118.78 1xk1 h GLU 23 Ca 0.42 0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.68 1xk1 h GLU 23 Cb 0.34 0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 1xk1 h GLU 23 CO -0.23 -0.40 -0.08 -0.39 -0.73 0.00 0.00 179.01 177.18 1xk1 h VAL 24 N -0.81 0.28 0.01 0.32 -1.51 -1.80 -1.66 116.25 111.08 1xk1 h VAL 24 Ca -0.07 -0.59 -0.23 0.00 -1.23 0.00 0.00 66.70 64.58 1xk1 h VAL 24 Cb 0.58 1.46 0.02 0.00 -2.13 0.00 0.00 31.29 31.22 1xk1 h VAL 24 CO 0.12 0.08 -0.89 -0.74 -1.23 0.00 0.00 177.57 174.91 1xk1 h HIS 25 N 0.00 0.88 0.00 5.19 -0.00 -0.91 -1.12 115.15 119.19 1xk1 h HIS 25 Ca -0.00 -0.49 -0.06 0.00 -0.00 0.00 0.00 60.37 59.82 1xk1 h HIS 25 Cb 0.45 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.76 1xk1 h HIS 25 CO 0.00 1.32 -0.28 1.15 -0.00 0.00 0.00 177.93 180.12 1xk1 h THR 26 N 0.19 1.01 -0.07 6.26 2.02 -0.86 -2.30 112.91 119.17 1xk1 h THR 26 Ca -0.11 -1.04 -0.03 0.00 0.77 0.00 0.00 66.41 66.00 1xk1 h THR 26 Cb 1.57 1.59 -0.00 0.00 -1.74 0.00 0.00 68.15 69.57 1xk1 h THR 26 CO 0.18 0.28 -0.06 -0.61 0.37 0.00 0.00 175.52 175.67 1xk1 h GLN 27 N 0.00 0.16 -0.46 6.66 4.15 -1.20 -3.09 115.11 121.33 1xk1 h GLN 27 Ca -0.00 -0.08 0.10 0.00 0.77 0.00 0.00 58.65 59.44 1xk1 h GLN 27 Cb 0.57 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.24 1xk1 h GLN 27 CO 0.04 0.58 0.32 0.00 -1.93 0.00 0.00 178.83 177.84 1xk1 h ALA 28 N 0.57 2.18 0.00 3.38 0.00 -0.69 0.31 119.26 125.01 1xk1 h ALA 28 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xk1 h ALA 28 Cb 0.55 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1xk1 h ALA 28 CO 0.01 -0.29 0.00 0.39 0.00 0.00 0.00 179.25 179.37 1xk1 n GLU 29 N -4.45 0.45 0.00 0.00 1.02 -0.91 -2.33 120.64 114.42 1xk1 n GLU 29 Ca 0.07 0.05 0.02 0.00 -0.02 0.00 0.00 57.16 57.28 1xk1 n GLU 29 Cb 0.40 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.33 1xk1 n GLU 29 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1xk1 n ASN 30 N -1.13 1.11 -4.62 1.62 4.13 0.11 -4.55 115.26 111.94 1xk1 n ASN 30 Ca 0.12 -1.06 -0.43 0.00 1.68 0.00 0.00 54.58 54.89 1xk1 n ASN 30 Cb 0.10 0.21 -0.02 0.00 -1.54 0.00 0.00 39.78 38.53 1xk1 n ASN 30 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xk1 s ALA 31 N -0.58 3.16 0.01 5.41 0.00 -0.98 -4.79 121.76 123.99 1xk1 s ALA 31 Ca 0.04 0.27 -0.02 0.00 0.00 0.00 0.00 51.96 52.26 1xk1 s ALA 31 Cb 0.03 -3.89 -0.00 0.00 0.00 0.00 0.00 23.12 19.26 1xk1 s ALA 31 CO 0.08 -2.15 0.21 -1.91 0.00 0.00 0.00 175.76 171.99 1xk1 n GLU 32 N 7.86 -0.02 -0.18 0.00 2.13 -1.26 0.55 120.64 129.72 1xk1 n GLU 32 Ca 0.19 0.21 -0.03 0.00 0.66 0.00 0.00 57.16 58.19 1xk1 n GLU 32 Cb 0.46 -0.32 0.03 0.00 0.27 0.00 0.00 31.44 31.89 1xk1 n GLU 32 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 1xk1 h PHE 33 N 0.00 -0.58 0.00 4.31 3.57 -1.91 0.47 116.94 122.81 1xk1 h PHE 33 Ca 0.01 0.06 -0.05 0.00 3.53 0.00 0.00 57.97 61.52 1xk1 h PHE 33 Cb 0.02 0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 1xk1 h PHE 33 CO -0.18 -0.32 -0.24 0.52 -2.23 0.00 0.00 178.31 175.86 1xk1 h MET 34 N -0.10 0.00 0.42 1.11 2.86 -0.19 -1.52 114.93 117.51 1xk1 h MET 34 Ca 0.25 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.87 1xk1 h MET 34 Cb 0.49 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.15 1xk1 h MET 34 CO -0.61 0.24 -0.20 0.00 1.06 0.00 0.00 176.91 177.40 1xk1 h ARG 35 N 0.00 -0.54 0.07 1.72 3.08 0.28 -1.55 114.38 117.45 1xk1 h ARG 35 Ca -0.00 0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.11 1xk1 h ARG 35 Cb 0.48 0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.61 1xk1 h ARG 35 CO 0.03 -0.24 -0.28 -0.91 -1.07 0.00 0.00 179.97 177.50 1xk1 h ASN 36 N -0.87 -0.81 0.01 7.04 -0.26 -0.46 0.26 115.58 120.48 1xk1 h ASN 36 Ca -0.06 0.10 0.03 0.00 -0.56 0.00 0.00 56.30 55.81 1xk1 h ASN 36 Cb 0.56 0.32 -0.06 0.00 -1.06 0.00 0.00 38.32 38.08 1xk1 h ASN 36 CO 0.09 -0.36 -0.43 0.15 -1.06 0.00 0.00 177.43 175.82 1xk1 h PHE 37 N -0.47 -1.24 -1.03 1.19 3.04 -0.03 1.46 116.94 119.87 1xk1 h PHE 37 Ca 0.04 0.04 0.27 0.00 3.98 0.00 0.00 57.97 62.30 1xk1 h PHE 37 Cb 0.52 0.54 -0.12 0.00 2.56 0.00 0.00 35.95 39.45 1xk1 h PHE 37 CO -0.28 -0.51 0.62 0.37 -2.02 0.00 0.00 178.31 176.50 1xk1 h GLN 38 N -0.59 0.47 -0.61 1.11 4.15 -0.81 0.22 115.11 119.04 1xk1 h GLN 38 Ca 0.04 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.43 1xk1 h GLN 38 Cb 0.67 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.25 1xk1 h GLN 38 CO -0.32 0.31 0.00 0.36 -1.93 0.00 0.00 178.83 177.25 1xk1 n LYS 39 N -4.82 2.97 -0.17 1.69 2.85 0.86 -4.91 118.16 116.62 1xk1 n LYS 39 Ca 0.27 -2.11 0.00 0.00 -1.05 0.00 0.00 58.31 55.43 1xk1 n LYS 39 Cb 0.84 -1.71 0.00 0.00 -0.65 0.00 0.00 35.03 33.51 1xk1 n LYS 39 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1xk1 n GLY 40 N 0.96 0.79 3.54 2.58 0.00 0.78 -5.01 105.19 108.82 1xk1 n GLY 40 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1xk1 n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xk1 s GLN 41 N -0.69 3.42 -0.29 1.61 -0.21 0.49 -4.92 119.66 119.07 1xk1 s GLN 41 Ca 0.00 -0.12 -0.24 0.00 0.02 0.00 0.00 55.36 55.01 1xk1 s GLN 41 Cb 0.00 -3.92 0.16 0.00 1.00 0.00 0.00 33.01 30.25 1xk1 s GLN 41 CO 0.00 -1.05 1.25 0.54 -2.12 0.00 0.00 175.29 173.91 1xk1 s VAL 42 N 3.13 0.00 0.53 1.09 0.11 -1.26 -1.05 120.40 122.94 1xk1 s VAL 42 Ca 0.28 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.38 1xk1 s VAL 42 Cb -0.13 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.75 1xk1 s VAL 42 CO 0.21 0.00 0.34 0.42 -3.33 0.00 0.00 175.10 172.74 1xk1 s THR 43 N 0.19 1.68 0.20 5.04 -4.23 -1.26 -4.85 115.64 112.41 1xk1 s THR 43 Ca 0.05 -1.56 -0.06 0.00 -1.18 0.00 0.00 61.69 58.94 1xk1 s THR 43 Cb -0.05 -2.24 0.04 0.00 1.34 0.00 0.00 72.50 71.59 1xk1 s THR 43 CO -0.12 0.00 1.63 0.03 -0.54 0.00 0.00 174.62 175.62 1xk1 h ARG 44 N 0.88 0.86 -0.20 3.99 3.08 -1.95 -1.02 114.38 120.02 1xk1 h ARG 44 Ca -0.38 -0.33 -0.12 0.00 0.07 0.00 0.00 59.98 59.22 1xk1 h ARG 44 Cb 1.30 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.29 1xk1 h ARG 44 CO 0.60 0.96 -0.37 -0.44 -1.07 0.00 0.00 179.97 179.65 1xk1 h ASP 45 N 0.76 0.47 -0.06 7.04 5.19 -1.99 -0.74 116.42 127.09 1xk1 h ASP 45 Ca 0.11 -0.20 -0.24 0.00 -0.62 0.00 0.00 57.03 56.09 1xk1 h ASP 45 Cb 0.69 -0.13 0.02 0.00 0.18 0.00 0.00 39.33 40.09 1xk1 h ASP 45 CO 0.05 0.80 -0.90 1.23 -3.12 0.00 0.00 179.24 177.31 1xk1 h GLY 46 N 1.10 0.80 0.92 2.75 0.00 -1.92 -2.88 103.07 103.84 1xk1 h GLY 46 Ca 0.04 -1.28 -0.00 0.00 0.00 0.00 0.00 47.33 46.09 1xk1 h GLY 46 CO 0.07 1.13 -0.00 -2.75 0.00 0.00 0.00 176.54 174.99 1xk1 h PHE 47 N 0.42 -0.01 -0.94 5.60 3.57 -1.09 -1.94 116.94 122.54 1xk1 h PHE 47 Ca -0.09 -0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.57 1xk1 h PHE 47 Cb 1.54 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 40.19 1xk1 h PHE 47 CO 0.10 0.08 0.54 0.87 -2.23 0.00 0.00 178.31 177.66 1xk1 h LYS 48 N -0.10 0.69 -0.80 1.11 1.57 -1.18 0.85 116.57 118.72 1xk1 h LYS 48 Ca -0.00 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 1xk1 h LYS 48 Cb 0.09 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.21 1xk1 h LYS 48 CO 0.00 0.46 0.35 -0.07 -0.57 0.00 0.00 179.45 179.62 1xk1 h LEU 49 N 0.72 1.08 0.01 2.94 3.38 -1.23 -1.30 115.31 120.91 1xk1 h LEU 49 Ca 0.53 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.34 1xk1 h LEU 49 Cb 0.78 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1xk1 h LEU 49 CO -0.37 0.94 -0.00 0.58 0.09 0.00 0.00 178.44 179.67 1xk1 h VAL 50 N 1.15 1.11 -0.94 1.22 2.07 -0.14 -1.64 116.25 119.08 1xk1 h VAL 50 Ca 0.27 -0.34 0.04 0.00 0.82 0.00 0.00 66.70 67.49 1xk1 h VAL 50 Cb 0.17 1.34 -0.06 0.00 -1.52 0.00 0.00 31.29 31.23 1xk1 h VAL 50 CO -0.03 0.09 0.61 0.24 0.02 0.00 0.00 177.57 178.50 1xk1 h MET 51 N -0.15 1.15 -0.66 1.57 2.86 -0.90 -0.77 114.93 118.03 1xk1 h MET 51 Ca -0.00 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.53 1xk1 h MET 51 Cb 0.15 -0.26 -0.03 0.00 0.06 0.00 0.00 31.60 31.52 1xk1 h MET 51 CO 0.00 0.76 0.25 0.00 1.06 0.00 0.00 176.91 178.98 1xk1 h ALA 52 N 1.39 0.86 0.08 6.32 0.00 -1.11 -1.27 119.26 125.53 1xk1 h ALA 52 Ca 0.38 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1xk1 h ALA 52 Cb 0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1xk1 h ALA 52 CO -0.12 0.49 -0.16 0.77 0.00 0.00 0.00 179.25 180.23 1xk1 h SER 53 N 0.94 -0.43 -0.53 0.00 0.02 -0.31 -2.41 113.55 110.83 1xk1 h SER 53 Ca 0.22 0.05 0.06 0.00 -0.84 0.00 0.00 61.79 61.28 1xk1 h SER 53 Cb 0.23 0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.88 1xk1 h SER 53 CO -0.01 -0.23 0.23 -0.07 -1.14 0.00 0.00 176.83 175.61 1xk1 h LEU 54 N -0.30 0.30 -0.16 5.07 3.38 -0.91 -1.57 115.31 121.12 1xk1 h LEU 54 Ca 0.02 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.09 1xk1 h LEU 54 Cb 0.32 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 1xk1 h LEU 54 CO -0.09 0.20 -0.28 0.22 0.09 0.00 0.00 178.44 178.58 1xk1 h TYR 55 N 0.45 -0.75 -0.53 1.13 3.20 -0.92 0.45 116.97 119.99 1xk1 h TYR 55 Ca 0.25 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 1xk1 h TYR 55 Cb 0.21 0.36 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 1xk1 h TYR 55 CO -0.13 -0.36 0.27 0.45 -1.64 0.00 0.00 178.16 176.76 1xk1 h HIS 56 N -0.33 0.75 -0.25 -3.82 3.86 -1.14 -0.52 115.15 113.70 1xk1 h HIS 56 Ca 0.11 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.28 1xk1 h HIS 56 Cb 0.50 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 1xk1 h HIS 56 CO -0.39 0.57 0.13 0.82 0.86 0.00 0.00 177.93 179.92 1xk1 h ILE 57 N 0.71 1.13 -0.14 2.45 2.04 -0.75 -2.61 117.51 120.34 1xk1 h ILE 57 Ca 0.18 -0.35 -0.12 0.00 1.00 0.00 0.00 64.86 65.58 1xk1 h ILE 57 Cb 0.08 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1xk1 h ILE 57 CO -0.03 0.13 -0.42 1.88 0.00 0.00 0.00 178.15 179.70 1xk1 h TYR 58 N 0.28 0.38 -0.52 1.37 0.05 0.02 -0.52 116.97 118.04 1xk1 h TYR 58 Ca 0.09 -0.11 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 1xk1 h TYR 58 Cb 0.08 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 37.72 1xk1 h TYR 58 CO -0.03 0.70 0.28 0.28 -1.05 0.00 0.00 178.16 178.34 1xk1 h VAL 59 N 0.27 1.18 -0.18 -2.88 2.07 -0.95 0.66 116.25 116.41 1xk1 h VAL 59 Ca 0.02 -0.45 -0.08 0.00 0.82 0.00 0.00 66.70 67.02 1xk1 h VAL 59 Cb 0.86 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1xk1 h VAL 59 CO 0.07 0.19 -0.18 0.00 0.02 0.00 0.00 177.57 177.67 1xk1 h ALA 60 N 1.12 0.27 -0.30 1.67 0.00 -1.35 -1.91 119.26 118.76 1xk1 h ALA 60 Ca 0.18 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1xk1 h ALA 60 Cb 0.05 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1xk1 h ALA 60 CO -0.03 0.18 0.14 1.25 0.00 0.00 0.00 179.25 180.79 1xk1 h LEU 61 N 0.10 0.20 -1.04 0.00 5.85 -0.88 -1.79 115.31 117.75 1xk1 h LEU 61 Ca 0.03 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 1xk1 h LEU 61 Cb 0.72 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1xk1 h LEU 61 CO 0.05 0.15 -0.25 -0.33 -0.34 0.00 0.00 178.44 177.72 1xk1 h GLU 62 N 0.30 0.00 -0.33 1.25 5.08 -0.91 -0.98 114.58 118.99 1xk1 h GLU 62 Ca 0.13 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.38 1xk1 h GLU 62 Cb 0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1xk1 h GLU 62 CO -0.10 0.25 -0.21 1.49 -1.00 0.00 0.00 179.01 179.45 1xk1 h GLU 63 N 0.00 0.72 -0.00 2.33 4.81 -0.89 -1.74 114.58 119.81 1xk1 h GLU 63 Ca -0.00 -0.34 -0.19 0.00 -0.13 0.00 0.00 59.36 58.70 1xk1 h GLU 63 Cb 0.79 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 1xk1 h GLU 63 CO 0.03 0.95 -0.85 0.93 -0.73 0.00 0.00 179.01 179.34 1xk1 h GLU 64 N 0.49 0.17 -0.55 1.92 4.39 -1.06 -2.32 114.58 117.62 1xk1 h GLU 64 Ca 0.07 -0.18 -0.08 0.00 0.34 0.00 0.00 59.36 59.51 1xk1 h GLU 64 Cb 0.75 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.43 1xk1 h GLU 64 CO 0.06 0.92 0.00 0.82 -1.16 0.00 0.00 179.01 179.65 1xk1 h ILE 65 N 0.09 1.26 -0.59 3.13 2.04 -1.15 -1.69 117.51 120.60 1xk1 h ILE 65 Ca -0.04 -1.08 -0.07 0.00 1.00 0.00 0.00 64.86 64.67 1xk1 h ILE 65 Cb 1.47 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 38.36 1xk1 h ILE 65 CO 0.13 0.39 0.09 -0.33 0.00 0.00 0.00 178.15 178.43 1xk1 h GLU 66 N 0.86 0.98 -0.21 2.37 4.39 -1.20 0.18 114.58 121.95 1xk1 h GLU 66 Ca 0.16 -0.26 -0.03 0.00 0.34 0.00 0.00 59.36 59.57 1xk1 h GLU 66 Cb 0.50 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1xk1 h GLU 66 CO 0.02 0.93 -0.01 -0.09 -1.16 0.00 0.00 179.01 178.70 1xk1 h ARG 67 N 0.88 0.30 -0.20 2.33 2.43 -1.08 -3.11 114.38 115.93 1xk1 h ARG 67 Ca 0.18 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1xk1 h ARG 67 Cb 0.42 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1xk1 h ARG 67 CO 0.01 0.34 0.00 0.09 -1.51 0.00 0.00 179.97 178.91 1xk1 n ASN 68 N -4.35 3.53 0.06 -3.80 4.13 -0.67 -4.75 115.26 109.42 1xk1 n ASN 68 Ca 0.00 -3.04 0.07 0.00 1.68 0.00 0.00 54.58 53.30 1xk1 n ASN 68 Cb 0.20 -0.52 0.52 0.00 -1.54 0.00 0.00 39.78 38.43 1xk1 n ASN 68 CO 0.00 0.00 0.00 0.07 0.28 0.00 0.00 177.26 177.61 1xk1 h LYS 69 N 1.39 0.32 -0.02 3.52 2.10 -0.59 -2.53 116.57 120.76 1xk1 h LYS 69 Ca 0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1xk1 h LYS 69 Cb 1.34 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 1xk1 h LYS 69 CO 0.17 0.21 -0.08 0.39 -2.00 0.00 0.00 179.45 178.14 1xk1 n GLU 70 N -4.49 1.73 -2.69 0.07 1.02 -1.26 -3.70 120.64 111.33 1xk1 n GLU 70 Ca 0.03 -1.23 -0.37 0.00 -0.02 0.00 0.00 57.16 55.57 1xk1 n GLU 70 Cb 0.15 -1.47 -0.06 0.00 -0.02 0.00 0.00 31.44 30.04 1xk1 n GLU 70 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1xk1 s SER 71 N -2.11 7.17 0.59 1.62 0.15 -0.95 -4.83 113.70 115.33 1xk1 s SER 71 Ca 0.31 1.93 0.37 0.00 0.70 0.00 0.00 55.95 59.26 1xk1 s SER 71 Cb 0.20 -2.59 1.72 0.00 -1.71 0.00 0.00 66.02 63.65 1xk1 s SER 71 CO 0.37 -0.19 2.12 1.55 1.20 0.00 0.00 173.24 178.29 1xk1 h PRO 72 N 3.05 0.00 0.00 5.44 0.13 -1.91 0.37 132.00 139.07 1xk1 h PRO 72 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1xk1 h PRO 72 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1xk1 h PRO 72 CO 0.64 0.01 0.00 1.33 -0.23 0.00 0.00 178.00 179.75 1xk1 n VAL 73 N -3.11 0.67 0.00 1.56 0.24 -1.26 -4.26 118.33 112.16 1xk1 n VAL 73 Ca -0.01 0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.44 1xk1 n VAL 73 Cb 0.23 -0.85 0.00 0.00 -1.47 0.00 0.00 33.84 31.75 1xk1 n VAL 73 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 1xk1 n PHE 74 N -1.62 0.00 -0.30 6.34 7.35 -0.80 -4.74 117.46 123.70 1xk1 n PHE 74 Ca 0.04 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.85 1xk1 n PHE 74 Cb 0.24 0.00 0.23 0.00 0.35 0.00 0.00 39.48 40.31 1xk1 n PHE 74 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1xk1 n ALA 75 N -0.74 0.41 0.19 3.13 0.00 0.12 -0.22 120.51 123.39 1xk1 n ALA 75 Ca 0.00 0.92 0.17 0.00 0.00 0.00 0.00 53.44 54.53 1xk1 n ALA 75 Cb 0.05 -0.66 0.80 0.00 0.00 0.00 0.00 19.45 19.64 1xk1 n ALA 75 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1xk1 h PRO 76 N 0.00 0.00 -0.40 0.00 0.11 -1.83 -1.86 132.00 128.03 1xk1 h PRO 76 Ca 0.51 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.54 1xk1 h PRO 76 Cb 1.01 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.08 1xk1 h PRO 76 CO -0.82 0.00 0.04 1.33 -0.21 0.00 0.00 178.00 178.35 1xk1 n VAL 77 N -3.93 2.51 -2.85 3.15 0.24 0.69 -4.81 118.33 113.32 1xk1 n VAL 77 Ca 0.02 -1.94 -0.43 0.00 -2.04 0.00 0.00 64.34 59.95 1xk1 n VAL 77 Cb 0.34 -0.29 -0.04 0.00 -1.47 0.00 0.00 33.84 32.37 1xk1 n VAL 77 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1xk1 s TYR 78 N -2.93 2.76 -0.55 6.34 5.04 -0.70 -4.92 117.35 122.39 1xk1 s TYR 78 Ca 0.46 -0.19 0.07 0.00 -2.44 0.00 0.00 57.07 54.97 1xk1 s TYR 78 Cb 0.38 -4.12 0.25 0.00 0.35 0.00 0.00 41.96 38.82 1xk1 s TYR 78 CO 0.09 -1.44 0.66 1.19 -1.34 0.00 0.00 175.55 174.71 1xk1 n PHE 79 N 7.52 2.12 -0.00 4.97 3.72 -1.26 -4.99 117.46 129.54 1xk1 n PHE 79 Ca -0.00 -3.93 -0.11 0.00 -0.05 0.00 0.00 57.45 53.35 1xk1 n PHE 79 Cb 0.47 -0.48 -0.05 0.00 -0.94 0.00 0.00 39.48 38.48 1xk1 n PHE 79 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1xk1 h PRO 80 N 4.13 -0.43 -0.55 -1.08 0.13 -1.97 -0.55 132.00 131.69 1xk1 h PRO 80 Ca 0.15 0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 65.25 1xk1 h PRO 80 Cb 0.74 0.10 -0.02 0.00 0.13 0.00 0.00 31.00 31.95 1xk1 h PRO 80 CO 0.69 -0.28 0.13 0.93 -0.23 0.00 0.00 178.00 179.24 1xk1 h GLU 81 N -0.44 0.89 -0.16 0.86 4.39 -1.96 -0.70 114.58 117.46 1xk1 h GLU 81 Ca 0.09 -0.22 -0.17 0.00 0.34 0.00 0.00 59.36 59.41 1xk1 h GLU 81 Cb 0.59 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 1xk1 h GLU 81 CO -0.38 0.84 -0.59 0.93 -1.16 0.00 0.00 179.01 178.65 1xk1 h GLU 82 N 0.79 0.52 0.00 2.33 3.07 -1.79 -3.40 114.58 116.10 1xk1 h GLU 82 Ca 0.17 -0.34 0.00 0.00 -0.50 0.00 0.00 59.36 58.69 1xk1 h GLU 82 Cb 0.35 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 1xk1 h GLU 82 CO 0.00 0.96 -1.30 1.28 -1.40 0.00 0.00 179.01 178.55 1xk1 n LEU 83 N -3.93 0.06 -4.59 1.33 4.77 -0.23 -4.58 117.00 109.83 1xk1 n LEU 83 Ca -0.03 -0.07 -0.49 0.00 -0.03 0.00 0.00 56.01 55.38 1xk1 n LEU 83 Cb 0.63 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.67 1xk1 n LEU 83 CO 0.47 0.02 0.81 0.00 -1.33 0.00 0.00 177.39 177.36 1xk1 n HIS 84 N -1.75 1.46 0.00 -1.77 1.44 -0.27 -4.89 115.22 109.44 1xk1 n HIS 84 Ca -0.01 0.63 0.00 0.00 -2.01 0.00 0.00 57.72 56.33 1xk1 n HIS 84 Cb 0.24 -2.32 0.00 0.00 0.12 0.00 0.00 29.99 28.03 1xk1 n HIS 84 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1xk1 n ARG 85 N 2.04 6.20 -0.05 -1.40 5.12 -1.26 -4.81 116.66 122.51 1xk1 n ARG 85 Ca 0.16 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 56.00 1xk1 n ARG 85 Cb 0.24 -0.55 -0.02 0.00 -1.16 0.00 0.00 32.46 30.97 1xk1 n ARG 85 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 1xk1 h LYS 86 N 0.00 -0.01 -0.97 5.56 3.64 -1.90 -1.71 116.57 121.18 1xk1 h LYS 86 Ca 0.00 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1xk1 h LYS 86 Cb 0.00 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.76 1xk1 h LYS 86 CO 0.00 -0.01 0.63 0.00 -2.27 0.00 0.00 179.45 177.81 1xk1 h ALA 87 N 1.22 1.29 -0.51 5.00 0.00 -2.00 -0.81 119.26 123.45 1xk1 h ALA 87 Ca 0.11 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1xk1 h ALA 87 Cb 0.18 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1xk1 h ALA 87 CO -0.24 0.51 -0.15 0.00 0.00 0.00 0.00 179.25 179.37 1xk1 h ALA 88 N 1.40 0.75 -0.19 0.00 0.00 -1.81 -2.30 119.26 117.12 1xk1 h ALA 88 Ca 0.39 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1xk1 h ALA 88 Cb 0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1xk1 h ALA 88 CO -0.13 0.67 -0.29 -0.07 0.00 0.00 0.00 179.25 179.43 1xk1 h LEU 89 N 0.88 0.38 -0.50 0.00 3.38 -0.75 -0.94 115.31 117.76 1xk1 h LEU 89 Ca 0.13 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1xk1 h LEU 89 Cb 0.72 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1xk1 h LEU 89 CO 0.06 0.67 0.08 -0.33 0.09 0.00 0.00 178.44 179.00 1xk1 h GLU 90 N 0.33 0.83 0.14 1.13 5.08 -0.98 0.83 114.58 121.94 1xk1 h GLU 90 Ca 0.05 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1xk1 h GLU 90 Cb 0.69 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1xk1 h GLU 90 CO 0.05 0.83 -0.07 1.96 -1.00 0.00 0.00 179.01 180.78 1xk1 h GLN 91 N 0.70 -0.19 -0.49 2.33 1.08 -1.13 -2.06 115.11 115.36 1xk1 h GLN 91 Ca 0.15 0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.37 1xk1 h GLN 91 Cb 0.40 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.85 1xk1 h GLN 91 CO 0.01 -0.05 0.32 -0.44 -0.95 0.00 0.00 178.83 177.72 1xk1 h ASP 92 N -0.28 0.55 0.33 1.46 3.45 -0.99 -2.56 116.42 118.39 1xk1 h ASP 92 Ca -0.02 -0.01 -0.06 0.00 0.43 0.00 0.00 57.03 57.37 1xk1 h ASP 92 Cb 0.22 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 38.85 1xk1 h ASP 92 CO 0.03 0.40 -0.29 -0.07 -1.57 0.00 0.00 179.24 177.75 1xk1 h LEU 93 N 0.66 0.00 -1.36 1.55 3.38 -0.79 -0.27 115.31 118.48 1xk1 h LEU 93 Ca 0.18 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 1xk1 h LEU 93 Cb -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1xk1 h LEU 93 CO -0.04 0.29 -0.32 0.00 0.09 0.00 0.00 178.44 178.46 1xk1 h ALA 94 N 1.71 1.36 0.07 1.53 0.00 -0.96 0.28 119.26 123.24 1xk1 h ALA 94 Ca -0.00 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 1xk1 h ALA 94 Cb 0.53 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1xk1 h ALA 94 CO 0.04 0.40 -0.42 0.35 0.00 0.00 0.00 179.25 179.62 1xk1 h PHE 95 N 0.00 0.26 -0.21 0.00 3.57 -1.05 -1.24 116.94 118.28 1xk1 h PHE 95 Ca -0.00 -0.19 -0.17 0.00 3.53 0.00 0.00 57.97 61.14 1xk1 h PHE 95 Cb 0.60 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.33 1xk1 h PHE 95 CO 0.00 1.16 -0.55 -1.49 -2.23 0.00 0.00 178.31 175.20 1xk1 h TRP 96 N -0.70 0.79 -0.00 0.41 4.06 -0.95 -3.34 115.95 116.22 1xk1 h TRP 96 Ca -0.08 -0.28 0.00 0.00 2.06 0.00 0.00 58.89 60.60 1xk1 h TRP 96 Cb 1.32 -0.15 0.00 0.00 -1.00 0.00 0.00 29.16 29.33 1xk1 h TRP 96 CO 0.24 1.03 -0.17 0.66 -3.56 0.00 0.00 178.44 176.64 1xk1 n TYR 97 N -3.97 0.00 0.00 0.49 4.01 0.96 -5.08 117.16 113.57 1xk1 n TYR 97 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 1xk1 n TYR 97 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.64 1xk1 n TYR 97 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xk1 n GLY 98 N 0.82 -0.18 0.33 2.72 0.00 -0.47 -4.23 105.19 104.18 1xk1 n GLY 98 Ca 0.03 -1.90 0.20 0.00 0.00 0.00 0.00 46.02 44.34 1xk1 n GLY 98 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xk1 h PRO 99 N 0.00 0.00 -0.62 1.61 0.13 -1.91 -2.11 132.00 129.11 1xk1 h PRO 99 Ca 0.00 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.74 1xk1 h PRO 99 Cb 0.00 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 30.89 1xk1 h PRO 99 CO 0.00 0.00 -0.06 0.54 -0.23 0.00 0.00 178.00 178.25 1xk1 n ARG 100 N -3.34 2.49 -0.32 0.86 1.74 -1.26 -4.76 116.66 112.08 1xk1 n ARG 100 Ca -0.02 -3.47 0.07 0.00 -0.77 0.00 0.00 57.85 53.66 1xk1 n ARG 100 Cb 0.13 -2.05 0.23 0.00 -1.02 0.00 0.00 32.46 29.75 1xk1 n ARG 100 CO 0.00 0.00 0.00 0.11 -1.52 0.00 0.00 177.63 176.22 1xk1 h TRP 101 N 1.51 0.93 -0.00 -1.55 5.08 -1.55 -1.69 115.95 118.67 1xk1 h TRP 101 Ca 0.36 0.03 0.00 0.00 1.08 0.00 0.00 58.89 60.36 1xk1 h TRP 101 Cb 1.53 -0.28 -0.00 0.00 -3.00 0.00 0.00 29.16 27.41 1xk1 h TRP 101 CO 1.10 0.30 0.00 1.96 -1.28 0.00 0.00 178.44 180.52 1xk1 h GLN 102 N 0.78 0.00 0.00 0.12 4.20 -1.87 0.18 115.11 118.53 1xk1 h GLN 102 Ca 0.47 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.18 1xk1 h GLN 102 Cb 0.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.35 1xk1 h GLN 102 CO -0.31 0.00 -0.54 0.93 -0.67 0.00 0.00 178.83 178.24 1xk1 h GLU 103 N 0.00 0.00 0.00 1.46 5.08 -1.70 -3.38 114.58 116.04 1xk1 h GLU 103 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xk1 h GLU 103 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1xk1 h GLU 103 CO -0.00 0.00 -0.79 1.33 -1.00 0.00 0.00 179.01 178.55 1xk1 n VAL 104 N -2.82 0.00 -1.89 3.13 0.24 -0.72 -5.03 118.33 111.24 1xk1 n VAL 104 Ca 0.02 -0.26 -0.38 0.00 -2.04 0.00 0.00 64.34 61.69 1xk1 n VAL 104 Cb 0.53 0.69 0.03 0.00 -1.47 0.00 0.00 33.84 33.63 1xk1 n VAL 104 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1xk1 s ILE 105 N -2.05 2.31 0.52 1.34 -4.36 -0.03 -4.98 121.20 113.95 1xk1 s ILE 105 Ca 0.00 0.22 -0.19 0.00 -0.26 0.00 0.00 60.65 60.43 1xk1 s ILE 105 Cb 0.05 -3.11 -0.07 0.00 1.25 0.00 0.00 42.46 40.58 1xk1 s ILE 105 CO 0.30 -0.01 1.03 -2.84 0.24 0.00 0.00 174.94 173.65 1xk1 s PRO 106 N -2.97 3.71 -0.36 0.37 0.02 -1.26 -5.04 135.00 129.47 1xk1 s PRO 106 Ca 0.72 1.24 0.01 0.00 0.02 0.00 0.00 61.00 62.99 1xk1 s PRO 106 Cb -0.37 -2.09 0.14 0.00 0.02 0.00 0.00 34.50 32.21 1xk1 s PRO 106 CO 0.43 -0.49 0.25 -0.47 -0.33 0.00 0.00 177.00 176.39 1xk1 s TYR 107 N -2.22 0.44 0.64 6.54 5.04 -1.26 -4.84 117.35 121.69 1xk1 s TYR 107 Ca 0.65 -1.40 -0.05 0.00 -2.44 0.00 0.00 57.07 53.83 1xk1 s TYR 107 Cb -0.15 -0.77 0.04 0.00 0.35 0.00 0.00 41.96 41.43 1xk1 s TYR 107 CO 0.26 -0.87 0.93 0.95 -1.34 0.00 0.00 175.55 175.48 1xk1 s THR 108 N 1.18 2.72 0.25 4.34 -4.23 -1.26 -4.88 115.64 113.76 1xk1 s THR 108 Ca 0.18 -0.29 -0.04 0.00 -1.18 0.00 0.00 61.69 60.36 1xk1 s THR 108 Cb -0.21 -3.12 0.24 0.00 1.34 0.00 0.00 72.50 70.75 1xk1 s THR 108 CO -0.00 -0.12 1.87 -0.65 -0.54 0.00 0.00 174.62 175.18 1xk1 h PRO 109 N -0.34 1.07 -0.63 3.99 0.11 -2.01 0.43 132.00 134.61 1xk1 h PRO 109 Ca -0.44 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 65.52 1xk1 h PRO 109 Cb 1.30 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 1xk1 h PRO 109 CO 0.59 0.71 0.06 0.00 -0.21 0.00 0.00 178.00 179.14 1xk1 h ALA 110 N 1.42 0.85 -0.15 -0.75 0.00 -1.94 0.21 119.26 118.90 1xk1 h ALA 110 Ca 0.40 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1xk1 h ALA 110 Cb 0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1xk1 h ALA 110 CO -0.16 0.65 0.04 0.52 0.00 0.00 0.00 179.25 180.29 1xk1 h MET 111 N 0.99 0.23 -0.91 0.00 2.86 -1.73 -2.60 114.93 113.77 1xk1 h MET 111 Ca 0.19 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 1xk1 h MET 111 Cb 0.50 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.08 1xk1 h MET 111 CO 0.02 0.38 0.58 1.96 1.06 0.00 0.00 176.91 180.91 1xk1 h GLN 112 N 0.05 1.21 -0.54 1.72 4.20 -0.77 -1.21 115.11 119.77 1xk1 h GLN 112 Ca 0.05 -0.09 0.01 0.00 0.06 0.00 0.00 58.65 58.68 1xk1 h GLN 112 Cb 0.25 -0.27 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 1xk1 h GLN 112 CO -0.00 0.82 0.35 -0.09 -0.67 0.00 0.00 178.83 179.24 1xk1 h ARG 113 N 1.24 0.68 0.25 1.46 2.43 -0.84 0.26 114.38 119.86 1xk1 h ARG 113 Ca 0.33 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.45 1xk1 h ARG 113 Cb -0.11 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.29 1xk1 h ARG 113 CO -0.07 0.45 -0.12 -0.92 -1.51 0.00 0.00 179.97 177.80 1xk1 h TYR 114 N 0.70 -0.32 -0.92 2.20 5.03 -1.06 -2.58 116.97 120.03 1xk1 h TYR 114 Ca 0.21 -0.01 0.08 0.00 2.58 0.00 0.00 58.73 61.59 1xk1 h TYR 114 Cb -0.04 0.10 -0.07 0.00 1.55 0.00 0.00 36.73 38.27 1xk1 h TYR 114 CO -0.05 -0.06 0.57 0.28 -1.32 0.00 0.00 178.16 177.58 1xk1 h VAL 115 N -0.53 1.01 -0.70 1.81 2.07 -0.98 -2.05 116.25 116.88 1xk1 h VAL 115 Ca -0.03 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 67.16 1xk1 h VAL 115 Cb 0.39 -0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.05 1xk1 h VAL 115 CO 0.06 0.18 0.45 0.50 0.02 0.00 0.00 177.57 178.78 1xk1 h LYS 116 N 1.00 0.88 -0.22 1.57 3.64 -0.34 -1.78 116.57 121.31 1xk1 h LYS 116 Ca 0.42 -0.05 -0.14 0.00 -1.27 0.00 0.00 60.65 59.60 1xk1 h LYS 116 Cb 0.26 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1xk1 h LYS 116 CO -0.20 0.58 -0.45 -0.09 -2.27 0.00 0.00 179.45 177.02 1xk1 h ARG 117 N 0.91 0.57 -0.73 1.90 9.65 -1.03 -1.68 114.38 123.96 1xk1 h ARG 117 Ca 0.27 -0.31 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1xk1 h ARG 117 Cb -0.05 0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.51 1xk1 h ARG 117 CO -0.08 0.91 0.46 -0.07 2.80 0.00 0.00 179.97 183.99 1xk1 h LEU 118 N 0.46 0.86 -0.30 3.80 3.38 -0.89 0.14 115.31 122.76 1xk1 h LEU 118 Ca 0.03 -0.04 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 1xk1 h LEU 118 Cb 0.97 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 1xk1 h LEU 118 CO 0.09 0.65 -0.50 0.45 0.09 0.00 0.00 178.44 179.22 1xk1 h HIS 119 N 1.00 1.08 -0.40 1.13 3.86 -1.23 0.53 115.15 121.11 1xk1 h HIS 119 Ca 0.27 -0.37 0.03 0.00 -1.16 0.00 0.00 60.37 59.14 1xk1 h HIS 119 Cb -0.07 -0.21 -0.04 0.00 1.06 0.00 0.00 27.41 28.16 1xk1 h HIS 119 CO -0.02 1.20 0.19 0.93 0.86 0.00 0.00 177.93 181.09 1xk1 h GLU 120 N 0.65 0.37 -0.37 2.45 5.08 -0.96 -0.02 114.58 121.78 1xk1 h GLU 120 Ca 0.02 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1xk1 h GLU 120 Cb 1.11 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 1xk1 h GLU 120 CO 0.11 0.25 0.12 0.28 -1.00 0.00 0.00 179.01 178.77 1xk1 h VAL 121 N 0.38 1.21 0.00 3.13 2.07 -0.60 0.70 116.25 123.14 1xk1 h VAL 121 Ca 0.17 -0.66 -0.07 0.00 0.82 0.00 0.00 66.70 66.96 1xk1 h VAL 121 Cb 0.10 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1xk1 h VAL 121 CO -0.13 0.23 -0.33 1.23 0.02 0.00 0.00 177.57 178.58 1xk1 h GLY 122 N 0.44 0.00 0.17 2.17 0.00 -0.48 0.14 103.07 105.51 1xk1 h GLY 122 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 47.09 1xk1 h GLY 122 CO -0.01 0.00 -2.28 0.54 0.00 0.00 0.00 176.54 174.79 1xk1 n ARG 123 N -3.99 0.68 -0.00 4.80 1.74 -0.06 -4.46 116.66 115.36 1xk1 n ARG 123 Ca -0.02 0.06 0.01 0.00 -0.77 0.00 0.00 57.85 57.13 1xk1 n ARG 123 Cb 0.39 -1.57 -0.02 0.00 -1.02 0.00 0.00 32.46 30.24 1xk1 n ARG 123 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1xk1 n THR 124 N -2.86 0.05 -2.93 0.55 -2.24 0.23 -4.81 114.28 102.27 1xk1 n THR 124 Ca -0.32 -0.08 -0.18 0.00 -2.27 0.00 0.00 64.05 61.21 1xk1 n THR 124 Cb 1.12 0.05 -0.01 0.00 -2.10 0.00 0.00 70.33 69.39 1xk1 n THR 124 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xk1 n GLU 125 N -1.74 1.64 -0.31 -0.78 1.02 -0.73 -4.95 120.64 114.79 1xk1 n GLU 125 Ca -0.02 -3.71 0.22 0.00 -0.02 0.00 0.00 57.16 53.64 1xk1 n GLU 125 Cb 0.22 -1.72 0.51 0.00 -0.02 0.00 0.00 31.44 30.42 1xk1 n GLU 125 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1xk1 h PRO 126 N 2.96 0.39 0.00 3.49 0.11 -1.22 -0.56 132.00 137.17 1xk1 h PRO 126 Ca 0.07 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1xk1 h PRO 126 Cb 0.94 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1xk1 h PRO 126 CO 0.59 0.26 0.03 1.05 -0.21 0.00 0.00 178.00 179.71 1xk1 h GLU 127 N 0.40 0.00 -0.01 1.05 9.09 -1.87 -0.45 114.58 122.79 1xk1 h GLU 127 Ca 0.57 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.98 1xk1 h GLU 127 Cb 1.45 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.55 1xk1 h GLU 127 CO -0.27 0.00 -0.64 1.28 0.05 0.00 0.00 179.01 179.42 1xk1 n LEU 128 N -2.33 1.54 0.03 3.06 4.77 -0.22 -4.40 117.00 119.45 1xk1 n LEU 128 Ca -0.02 -0.60 0.14 0.00 -0.03 0.00 0.00 56.01 55.51 1xk1 n LEU 128 Cb 0.06 -0.02 0.61 0.00 -2.33 0.00 0.00 43.42 41.74 1xk1 n LEU 128 CO 0.10 0.31 1.16 0.25 -1.33 0.00 0.00 177.39 177.88 1xk1 h LEU 129 N 1.40 0.13 -1.48 2.23 5.85 -1.18 -0.68 115.31 121.58 1xk1 h LEU 129 Ca 0.00 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1xk1 h LEU 129 Cb 0.64 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 1xk1 h LEU 129 CO 0.00 0.08 0.37 1.62 -0.34 0.00 0.00 178.44 180.17 1xk1 h VAL 130 N 0.15 1.11 -0.77 1.05 3.04 -1.77 -1.32 116.25 117.73 1xk1 h VAL 130 Ca 0.20 -0.24 -0.01 0.00 -1.01 0.00 0.00 66.70 65.63 1xk1 h VAL 130 Cb 0.60 0.34 -0.04 0.00 -2.01 0.00 0.00 31.29 30.18 1xk1 h VAL 130 CO -0.03 0.13 0.42 0.00 -1.01 0.00 0.00 177.57 177.09 1xk1 h ALA 131 N 1.66 1.29 0.02 3.17 0.00 -1.42 0.13 119.26 124.12 1xk1 h ALA 131 Ca 0.21 -0.12 -0.21 0.00 0.00 0.00 0.00 54.91 54.80 1xk1 h ALA 131 Cb -0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1xk1 h ALA 131 CO -0.05 0.58 -0.94 0.45 0.00 0.00 0.00 179.25 179.29 1xk1 h HIS 132 N 1.08 0.34 -0.31 0.00 -0.00 -1.44 -2.15 115.15 112.67 1xk1 h HIS 132 Ca 0.27 -0.20 -0.11 0.00 -0.00 0.00 0.00 60.37 60.33 1xk1 h HIS 132 Cb 0.03 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.40 1xk1 h HIS 132 CO 0.01 1.04 -0.25 0.00 -0.00 0.00 0.00 177.93 178.72 1xk1 h ALA 133 N 0.90 0.44 0.30 2.45 0.00 -0.84 -2.42 119.26 120.08 1xk1 h ALA 133 Ca -0.06 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1xk1 h ALA 133 Cb 1.59 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1xk1 h ALA 133 CO 0.15 0.43 -0.21 -0.92 0.00 0.00 0.00 179.25 178.69 1xk1 h TYR 134 N 0.46 -0.56 -0.95 0.00 3.20 -0.75 0.45 116.97 118.82 1xk1 h TYR 134 Ca 0.05 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.01 1xk1 h TYR 134 Cb 0.82 0.21 -0.07 0.00 1.54 0.00 0.00 36.73 39.22 1xk1 h TYR 134 CO 0.07 -0.33 0.60 1.15 -1.64 0.00 0.00 178.16 178.01 1xk1 h THR 135 N -0.51 0.99 0.03 1.81 2.02 -1.39 -2.17 112.91 113.69 1xk1 h THR 135 Ca -0.02 -0.35 -0.00 0.00 0.77 0.00 0.00 66.41 66.81 1xk1 h THR 135 Cb 0.44 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.73 1xk1 h THR 135 CO 0.00 0.19 -0.02 0.03 0.37 0.00 0.00 175.52 176.09 1xk1 h ARG 136 N 1.02 -0.04 0.56 6.66 2.47 -1.30 -3.24 114.38 120.51 1xk1 h ARG 136 Ca 0.44 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 59.14 1xk1 h ARG 136 Cb 0.31 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.64 1xk1 h ARG 136 CO -0.22 -0.03 -0.33 1.88 0.56 0.00 0.00 179.97 181.83 1xk1 h TYR 137 N -0.55 -0.87 -0.43 3.04 0.05 -0.97 0.18 116.97 117.42 1xk1 h TYR 137 Ca -0.00 -0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.74 1xk1 h TYR 137 Cb 0.03 0.31 -0.02 0.00 1.01 0.00 0.00 36.73 38.06 1xk1 h TYR 137 CO 0.01 -0.51 0.16 -0.07 -1.05 0.00 0.00 178.16 176.70 1xk1 h LEU 138 N -0.84 0.56 0.59 3.88 4.07 -1.54 0.84 115.31 122.87 1xk1 h LEU 138 Ca -0.07 -0.07 -0.03 0.00 0.08 0.00 0.00 57.88 57.80 1xk1 h LEU 138 Cb 0.68 -0.14 0.01 0.00 1.08 0.00 0.00 40.66 42.28 1xk1 h LEU 138 CO 0.08 0.53 -0.28 1.23 -1.08 0.00 0.00 178.44 178.91 1xk1 h GLY 139 N 0.79 -0.82 0.63 0.83 0.00 -1.55 -1.87 103.07 101.08 1xk1 h GLY 139 Ca 0.15 0.30 0.15 0.00 0.00 0.00 0.00 47.33 47.93 1xk1 h GLY 139 CO -0.01 -0.30 0.53 -0.55 0.00 0.00 0.00 176.54 176.21 1xk1 h ASP 140 N -1.11 0.47 -0.08 0.19 3.32 -0.57 0.40 116.42 119.05 1xk1 h ASP 140 Ca -0.08 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 56.91 1xk1 h ASP 140 Cb 0.60 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 1xk1 h ASP 140 CO 0.13 0.24 -0.20 0.25 -1.72 0.00 0.00 179.24 177.95 1xk1 h LEU 141 N 0.50 0.46 0.01 1.55 6.46 -0.83 0.04 115.31 123.51 1xk1 h LEU 141 Ca 0.40 -0.14 -0.24 0.00 -0.12 0.00 0.00 57.88 57.78 1xk1 h LEU 141 Cb 0.82 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.60 1xk1 h LEU 141 CO -0.14 0.67 -1.21 0.28 -0.62 0.00 0.00 178.44 177.42 1xk1 h SER 142 N 0.42 0.05 0.62 1.25 0.02 0.52 -3.33 113.55 113.10 1xk1 h SER 142 Ca 0.07 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1xk1 h SER 142 Cb 0.58 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.11 1xk1 h SER 142 CO 0.04 1.05 -0.70 1.41 -1.14 0.00 0.00 176.83 177.49 1xk1 n HIS 143 N -3.30 0.29 -0.19 3.45 8.25 0.35 -4.61 115.22 119.47 1xk1 n HIS 143 Ca -0.05 0.09 -0.12 0.00 -0.26 0.00 0.00 57.72 57.37 1xk1 n HIS 143 Cb 0.98 -0.46 -0.09 0.00 1.12 0.00 0.00 29.99 31.53 1xk1 n HIS 143 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1xk1 h GLY 144 N 4.68 -1.04 0.84 -1.41 0.00 -1.09 -1.95 103.07 103.09 1xk1 h GLY 144 Ca 0.00 0.75 -0.03 0.00 0.00 0.00 0.00 47.33 48.05 1xk1 h GLY 144 CO 0.00 -0.12 -0.41 1.46 0.00 0.00 0.00 176.54 177.47 1xk1 h GLN 145 N -0.29 -0.97 -0.68 4.80 7.50 -1.82 -1.35 115.11 122.29 1xk1 h GLN 145 Ca 0.09 0.07 0.05 0.00 0.50 0.00 0.00 58.65 59.36 1xk1 h GLN 145 Cb 0.52 0.22 -0.05 0.00 0.05 0.00 0.00 27.48 28.22 1xk1 h GLN 145 CO -0.64 -0.65 0.39 -0.39 -1.50 0.00 0.00 178.83 176.05 1xk1 h VAL 146 N -1.01 1.00 -0.14 -0.54 -1.51 -1.87 -1.91 116.25 110.27 1xk1 h VAL 146 Ca -0.08 -0.25 -0.01 0.00 -1.23 0.00 0.00 66.70 65.13 1xk1 h VAL 146 Cb 0.82 0.20 -0.01 0.00 -2.13 0.00 0.00 31.29 30.17 1xk1 h VAL 146 CO 0.08 0.13 0.06 -0.07 -1.23 0.00 0.00 177.57 176.54 1xk1 h LEU 147 N 0.73 0.19 -0.95 4.19 3.38 -1.27 0.60 115.31 122.19 1xk1 h LEU 147 Ca 0.30 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1xk1 h LEU 147 Cb 0.15 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1xk1 h LEU 147 CO -0.17 0.30 0.39 0.07 0.09 0.00 0.00 178.44 179.12 1xk1 h LYS 148 N 0.07 1.14 -0.40 1.13 2.10 -1.10 0.24 116.57 119.75 1xk1 h LYS 148 Ca 0.05 -0.16 -0.02 0.00 -2.00 0.00 0.00 60.65 58.52 1xk1 h LYS 148 Cb 0.17 -0.21 -0.02 0.00 -0.90 0.00 0.00 32.23 31.27 1xk1 h LYS 148 CO -0.00 0.87 0.18 -0.22 -2.00 0.00 0.00 179.45 178.28 1xk1 h LYS 149 N 1.13 0.59 -0.77 0.07 1.63 -1.16 0.24 116.57 118.30 1xk1 h LYS 149 Ca 0.28 -0.09 -0.05 0.00 -0.85 0.00 0.00 60.65 59.94 1xk1 h LYS 149 Cb 0.10 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 31.60 1xk1 h LYS 149 CO -0.04 0.52 0.30 0.82 -3.45 0.00 0.00 179.45 177.60 1xk1 h ILE 150 N 0.51 1.26 0.69 2.00 2.04 -0.23 -1.48 117.51 122.30 1xk1 h ILE 150 Ca 0.14 -0.83 -0.03 0.00 1.00 0.00 0.00 64.86 65.13 1xk1 h ILE 150 Cb 0.14 0.35 0.01 0.00 -0.74 0.00 0.00 36.82 36.58 1xk1 h ILE 150 CO -0.02 0.34 -0.34 0.00 0.00 0.00 0.00 178.15 178.13 1xk1 h ALA 151 N 1.15 -0.94 0.00 1.87 0.00 -0.09 -3.22 119.26 118.04 1xk1 h ALA 151 Ca 0.26 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1xk1 h ALA 151 Cb 0.23 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1xk1 h ALA 151 CO -0.02 -1.03 -0.17 1.96 0.00 0.00 0.00 179.25 179.99 1xk1 h GLN 152 N -0.94 -0.21 -4.67 0.00 4.20 -0.84 0.66 115.11 113.31 1xk1 h GLN 152 Ca -0.09 0.01 -0.60 0.00 0.06 0.00 0.00 58.65 58.04 1xk1 h GLN 152 Cb 0.72 0.05 0.04 0.00 0.30 0.00 0.00 27.48 28.59 1xk1 h GLN 152 CO 0.15 -0.14 2.06 1.63 -0.67 0.00 0.00 178.83 181.86 1xk1 n LYS 153 N -3.44 1.48 0.00 1.46 4.76 -0.57 -2.83 118.16 119.02 1xk1 n LYS 153 Ca -0.02 -1.93 0.00 0.00 -2.87 0.00 0.00 58.31 53.48 1xk1 n LYS 153 Cb 0.13 -3.05 0.00 0.00 -1.84 0.00 0.00 35.03 30.27 1xk1 n LYS 153 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xk1 n ALA 154 N 8.74 0.00 0.31 7.82 0.00 -1.17 -4.80 120.51 131.42 1xk1 n ALA 154 Ca 0.49 0.00 0.17 0.00 0.00 0.00 0.00 53.44 54.09 1xk1 n ALA 154 Cb 0.42 0.00 0.71 0.00 0.00 0.00 0.00 19.45 20.58 1xk1 n ALA 154 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1xk1 h LEU 155 N 0.00 0.00 -2.86 0.00 3.38 -0.70 -3.47 115.31 111.66 1xk1 h LEU 155 Ca 0.00 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.51 1xk1 h LEU 155 Cb 0.00 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.79 1xk1 h LEU 155 CO 0.00 0.00 -0.93 -0.67 0.09 0.00 0.00 178.44 176.93 1xk1 n ASP 156 N -2.85 -3.75 -4.70 -0.43 2.03 -1.15 -4.91 116.55 100.79 1xk1 n ASP 156 Ca 0.00 -1.02 -0.31 0.00 0.52 0.00 0.00 54.79 53.98 1xk1 n ASP 156 Cb 0.24 -3.21 0.14 0.00 -0.72 0.00 0.00 41.12 37.57 1xk1 n ASP 156 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1xk1 s LEU 157 N -6.68 2.70 0.00 -2.67 1.43 -1.26 -5.05 118.68 107.15 1xk1 s LEU 157 Ca 0.33 1.93 0.00 0.00 -1.03 0.00 0.00 54.13 55.36 1xk1 s LEU 157 Cb -0.12 -4.39 0.00 0.00 0.03 0.00 0.00 46.19 41.70 1xk1 s LEU 157 CO 0.87 -2.75 0.00 -0.81 0.23 0.00 0.00 176.35 173.90 1xk1 n PRO 158 N -3.99 3.33 -1.13 1.29 -0.04 -1.26 -4.99 135.00 128.21 1xk1 n PRO 158 Ca 0.10 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1xk1 n PRO 158 Cb 0.53 0.00 0.14 0.00 -0.04 0.00 0.00 33.50 34.12 1xk1 n PRO 158 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1xk1 n SER 159 N 0.00 2.18 -0.13 3.54 7.64 -1.26 -4.75 113.62 120.84 1xk1 n SER 159 Ca 0.00 -3.47 0.14 0.00 1.01 0.00 0.00 58.87 56.55 1xk1 n SER 159 Cb 0.00 -0.45 0.58 0.00 -1.01 0.00 0.00 64.21 63.33 1xk1 n SER 159 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1xk1 n SER 160 N -0.75 0.54 -3.28 6.43 3.41 -1.26 -4.97 113.62 113.74 1xk1 n SER 160 Ca 0.21 -0.61 -0.19 0.00 -0.26 0.00 0.00 58.87 58.02 1xk1 n SER 160 Cb 0.82 -0.05 0.08 0.00 -0.26 0.00 0.00 64.21 64.80 1xk1 n SER 160 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xk1 n GLY 161 N 1.29 -0.37 3.63 5.00 0.00 -1.26 -5.02 105.19 108.46 1xk1 n GLY 161 Ca 0.14 0.13 -0.09 0.00 0.00 0.00 0.00 46.02 46.20 1xk1 n GLY 161 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1xk1 s GLU 162 N -5.83 1.57 0.00 1.61 -1.05 -1.26 -4.94 118.70 108.80 1xk1 s GLU 162 Ca 0.33 -1.17 0.00 0.00 -0.15 0.00 0.00 54.97 53.98 1xk1 s GLU 162 Cb -0.15 0.50 0.00 0.00 -0.44 0.00 0.00 34.13 34.04 1xk1 s GLU 162 CO 0.67 -0.67 0.00 0.41 0.95 0.00 0.00 175.26 176.62 1xk1 n GLY 163 N -0.39 2.84 0.03 -3.83 0.00 -1.26 -4.90 105.19 97.68 1xk1 n GLY 163 Ca -0.03 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.03 1xk1 n GLY 163 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xk1 n LEU 164 N 0.00 2.09 -0.30 0.99 4.77 -1.26 -4.76 117.00 118.52 1xk1 n LEU 164 Ca 0.00 -2.37 0.15 0.00 -0.03 0.00 0.00 56.01 53.76 1xk1 n LEU 164 Cb 0.00 -0.16 0.40 0.00 -2.33 0.00 0.00 43.42 41.33 1xk1 n LEU 164 CO 0.00 0.57 1.21 0.00 -1.33 0.00 0.00 177.39 177.84 1xk1 h ALA 165 N 0.00 1.89 -0.89 -1.18 0.00 -1.90 -1.89 119.26 115.29 1xk1 h ALA 165 Ca 0.00 0.04 0.24 0.00 0.00 0.00 0.00 54.91 55.19 1xk1 h ALA 165 Cb 0.70 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1xk1 h ALA 165 CO 0.00 -0.20 0.63 0.35 0.00 0.00 0.00 179.25 180.02 1xk1 h PHE 166 N 0.64 0.14 -0.03 0.00 3.57 -1.86 -1.19 116.94 118.20 1xk1 h PHE 166 Ca 0.51 0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.02 1xk1 h PHE 166 Cb 0.95 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.65 1xk1 h PHE 166 CO -0.00 0.03 0.00 1.19 -2.23 0.00 0.00 178.31 177.30 1xk1 n PHE 167 N -4.34 0.04 -4.47 0.41 3.72 -0.71 -4.74 117.46 107.37 1xk1 n PHE 167 Ca 0.19 -0.02 -0.32 0.00 -0.05 0.00 0.00 57.45 57.24 1xk1 n PHE 167 Cb 0.89 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 39.27 1xk1 n PHE 167 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1xk1 s THR 168 N -1.96 2.03 -0.68 4.37 2.01 -0.45 -4.65 115.64 116.32 1xk1 s THR 168 Ca 0.37 -0.95 -0.12 0.00 0.31 0.00 0.00 61.69 61.30 1xk1 s THR 168 Cb 0.18 -1.81 0.17 0.00 0.01 0.00 0.00 72.50 71.06 1xk1 s THR 168 CO 0.30 0.54 0.60 -0.36 -0.69 0.00 0.00 174.62 175.01 1xk1 s PHE 169 N 0.99 3.54 0.44 4.92 0.40 -1.26 -4.93 117.98 122.07 1xk1 s PHE 169 Ca -0.03 -1.89 0.18 0.00 -0.60 0.00 0.00 56.93 54.59 1xk1 s PHE 169 Cb -0.15 -3.69 1.13 0.00 0.51 0.00 0.00 43.02 40.82 1xk1 s PHE 169 CO -0.06 -0.98 2.01 -1.00 0.70 0.00 0.00 175.22 175.89 1xk1 h PRO 170 N 8.06 0.00 -0.19 0.24 0.13 -1.94 -2.78 132.00 135.52 1xk1 h PRO 170 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1xk1 h PRO 170 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1xk1 h PRO 170 CO 0.84 0.17 0.00 0.09 -0.23 0.00 0.00 178.00 178.87 1xk1 n ASN 171 N -4.12 1.07 -4.00 1.44 5.03 -1.26 -4.55 115.26 108.86 1xk1 n ASN 171 Ca -0.02 -1.96 -0.31 0.00 0.87 0.00 0.00 54.58 53.15 1xk1 n ASN 171 Cb 0.25 -0.13 -0.15 0.00 -1.02 0.00 0.00 39.78 38.73 1xk1 n ASN 171 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1xk1 s ILE 172 N -1.74 2.10 0.30 2.41 1.01 -1.05 -4.66 121.20 119.57 1xk1 s ILE 172 Ca 0.15 -2.04 -0.00 0.00 0.00 0.00 0.00 60.65 58.75 1xk1 s ILE 172 Cb 0.08 -2.46 0.18 0.00 0.01 0.00 0.00 42.46 40.27 1xk1 s ILE 172 CO 0.11 -0.45 1.88 0.00 0.00 0.00 0.00 174.94 176.47 1xk1 h ALA 173 N 7.71 1.30 -3.14 9.38 0.00 -1.84 -3.41 119.26 129.25 1xk1 h ALA 173 Ca -0.09 -0.16 -0.42 0.00 0.00 0.00 0.00 54.91 54.24 1xk1 h ALA 173 Cb 1.03 -0.23 -0.40 0.00 0.00 0.00 0.00 17.79 18.19 1xk1 h ALA 173 CO 0.50 0.51 -0.74 0.45 0.00 0.00 0.00 179.25 179.97 1xk1 s SER 174 N -6.55 1.83 0.25 0.00 0.15 -1.26 -5.04 113.70 103.08 1xk1 s SER 174 Ca -0.10 -0.32 -0.06 0.00 0.70 0.00 0.00 55.95 56.17 1xk1 s SER 174 Cb 0.16 -0.18 0.26 0.00 -1.71 0.00 0.00 66.02 64.55 1xk1 s SER 174 CO 0.79 -0.31 1.92 0.00 1.20 0.00 0.00 173.24 176.84 1xk1 h ALA 175 N 8.42 1.24 -0.31 5.45 0.00 -1.98 0.18 119.26 132.27 1xk1 h ALA 175 Ca -0.14 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.57 1xk1 h ALA 175 Cb 1.14 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1xk1 h ALA 175 CO 0.23 0.61 -0.38 1.79 0.00 0.00 0.00 179.25 181.50 1xk1 h THR 176 N 1.30 1.29 -0.30 0.00 1.35 -1.98 -0.42 112.91 114.15 1xk1 h THR 176 Ca 0.36 -1.55 -0.19 0.00 -0.55 0.00 0.00 66.41 64.49 1xk1 h THR 176 Cb -0.13 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 1xk1 h THR 176 CO -0.09 0.50 -0.53 0.11 -0.25 0.00 0.00 175.52 175.26 1xk1 h LYS 177 N 0.60 0.89 -0.04 4.72 6.56 -1.90 -2.65 116.57 124.75 1xk1 h LYS 177 Ca 0.05 -0.56 -0.07 0.00 -1.06 0.00 0.00 60.65 59.01 1xk1 h LYS 177 Cb 0.92 0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 32.63 1xk1 h LYS 177 CO 0.08 1.20 -0.30 0.35 -2.06 0.00 0.00 179.45 178.72 1xk1 h PHE 178 N 0.69 0.08 -0.61 -1.35 3.57 -0.48 -2.16 116.94 116.68 1xk1 h PHE 178 Ca 0.02 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.45 1xk1 h PHE 178 Cb 1.14 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.84 1xk1 h PHE 178 CO 0.07 0.37 0.16 -0.22 -2.23 0.00 0.00 178.31 176.46 1xk1 h LYS 179 N 0.06 0.97 -0.19 1.11 1.63 -0.89 0.82 116.57 120.09 1xk1 h LYS 179 Ca 0.01 -0.23 -0.01 0.00 -0.85 0.00 0.00 60.65 59.57 1xk1 h LYS 179 Cb 0.58 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.07 1xk1 h LYS 179 CO 0.04 0.88 0.08 1.96 -3.45 0.00 0.00 179.45 178.96 1xk1 h GLN 180 N 0.89 0.29 -0.34 1.90 4.20 -1.10 -0.03 115.11 120.92 1xk1 h GLN 180 Ca 0.19 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.88 1xk1 h GLN 180 Cb 0.34 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 1xk1 h GLN 180 CO 0.00 0.35 0.16 1.25 -0.67 0.00 0.00 178.83 179.92 1xk1 h LEU 181 N 0.16 0.23 -0.62 1.46 5.85 -1.18 -0.44 115.31 120.78 1xk1 h LEU 181 Ca 0.06 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 1xk1 h LEU 181 Cb 0.17 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 1xk1 h LEU 181 CO -0.01 0.17 0.23 0.22 -0.34 0.00 0.00 178.44 178.71 1xk1 h TYR 182 N 0.34 0.97 -0.78 1.25 5.03 -0.62 -0.56 116.97 122.59 1xk1 h TYR 182 Ca 0.14 -0.08 -0.05 0.00 2.58 0.00 0.00 58.73 61.32 1xk1 h TYR 182 Cb 0.07 -0.28 -0.03 0.00 1.55 0.00 0.00 36.73 38.03 1xk1 h TYR 182 CO -0.10 0.78 0.29 0.93 -1.32 0.00 0.00 178.16 178.73 1xk1 h GLU 183 N 0.87 1.17 -0.64 1.82 5.08 -0.77 -0.79 114.58 121.32 1xk1 h GLU 183 Ca 0.20 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 1xk1 h GLU 183 Cb 0.24 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1xk1 h GLU 183 CO -0.01 0.96 0.14 1.03 -1.00 0.00 0.00 179.01 180.13 1xk1 h SER 184 N 1.14 0.96 -0.45 1.42 0.87 -0.60 -0.20 113.55 116.69 1xk1 h SER 184 Ca 0.26 -0.20 -0.14 0.00 -1.23 0.00 0.00 61.79 60.48 1xk1 h SER 184 Cb 0.24 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 1xk1 h SER 184 CO -0.02 0.94 -0.24 0.03 -0.53 0.00 0.00 176.83 177.01 1xk1 h ARG 185 N 0.97 0.98 -0.62 2.24 2.47 -0.75 -1.56 114.38 118.10 1xk1 h ARG 185 Ca 0.20 -0.43 -0.03 0.00 -1.26 0.00 0.00 59.98 58.46 1xk1 h ARG 185 Cb 0.36 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.62 1xk1 h ARG 185 CO 0.00 1.10 0.25 0.52 0.56 0.00 0.00 179.97 182.41 1xk1 h MET 186 N 0.84 0.90 0.00 0.04 2.86 -0.78 -1.94 114.93 116.84 1xk1 h MET 186 Ca 0.10 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1xk1 h MET 186 Cb 0.82 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.32 1xk1 h MET 186 CO 0.07 0.73 0.00 0.09 1.06 0.00 0.00 176.91 178.86 1xk1 n ASN 187 N -4.32 0.00 0.05 1.22 3.02 -0.12 -2.70 115.26 112.41 1xk1 n ASN 187 Ca 0.05 0.30 0.12 0.00 -0.03 0.00 0.00 54.58 55.02 1xk1 n ASN 187 Cb 0.16 -0.43 0.11 0.00 -0.61 0.00 0.00 39.78 39.01 1xk1 n ASN 187 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1xk1 n SER 188 N -1.43 0.66 -4.76 6.41 3.41 -0.62 -4.90 113.62 112.39 1xk1 n SER 188 Ca 0.09 -0.02 -0.41 0.00 -0.26 0.00 0.00 58.87 58.27 1xk1 n SER 188 Cb 0.30 0.43 -0.01 0.00 -0.26 0.00 0.00 64.21 64.66 1xk1 n SER 188 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1xk1 s LEU 189 N -4.08 4.34 -0.28 1.04 1.43 -1.10 -4.97 118.68 115.07 1xk1 s LEU 189 Ca 0.05 2.94 -0.18 0.00 -1.03 0.00 0.00 54.13 55.91 1xk1 s LEU 189 Cb 0.14 -3.65 -0.02 0.00 0.03 0.00 0.00 46.19 42.69 1xk1 s LEU 189 CO 0.75 -0.85 0.51 -0.70 0.23 0.00 0.00 176.35 176.29 1xk1 s GLU 190 N -1.11 3.96 -0.07 1.70 2.56 -1.26 -5.05 118.70 119.43 1xk1 s GLU 190 Ca 0.58 0.20 -0.15 0.00 0.00 0.00 0.00 54.97 55.60 1xk1 s GLU 190 Cb -0.46 -3.69 0.03 0.00 2.00 0.00 0.00 34.13 32.01 1xk1 s GLU 190 CO 0.53 -0.42 0.36 0.00 -0.56 0.00 0.00 175.26 175.17 1xk1 s MET 191 N 2.33 0.60 0.81 4.30 0.23 -1.26 -4.94 119.30 121.37 1xk1 s MET 191 Ca 0.20 0.13 -0.11 0.00 -1.03 0.00 0.00 55.69 54.89 1xk1 s MET 191 Cb -0.16 0.28 0.07 0.00 -1.53 0.00 0.00 34.83 33.50 1xk1 s MET 191 CO 0.10 -0.14 1.09 0.95 -2.03 0.00 0.00 175.02 174.99 1xk1 s THR 192 N -0.69 3.14 0.36 3.16 -4.23 -1.26 -4.78 115.64 111.34 1xk1 s THR 192 Ca -0.08 0.37 0.08 0.00 -1.18 0.00 0.00 61.69 60.88 1xk1 s THR 192 Cb -0.04 -3.00 0.31 0.00 1.34 0.00 0.00 72.50 71.11 1xk1 s THR 192 CO 0.03 -0.48 1.92 -0.65 -0.54 0.00 0.00 174.62 174.90 1xk1 h PRO 193 N -1.17 0.68 -0.09 3.99 0.11 -2.01 -0.67 132.00 132.84 1xk1 h PRO 193 Ca -0.47 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 1xk1 h PRO 193 Cb 1.26 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1xk1 h PRO 193 CO 0.56 0.45 -0.00 0.00 -0.21 0.00 0.00 178.00 178.80 1xk1 h ALA 194 N 1.60 0.12 -0.49 -0.75 0.00 -1.99 -1.28 119.26 116.47 1xk1 h ALA 194 Ca 0.37 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1xk1 h ALA 194 Cb 0.50 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1xk1 h ALA 194 CO -0.14 -0.19 0.33 0.28 0.00 0.00 0.00 179.25 179.53 1xk1 h VAL 195 N -0.13 1.12 -0.72 0.00 2.07 -1.81 -0.95 116.25 115.83 1xk1 h VAL 195 Ca 0.03 -0.23 0.07 0.00 0.82 0.00 0.00 66.70 67.38 1xk1 h VAL 195 Cb 0.36 0.40 -0.06 0.00 -1.52 0.00 0.00 31.29 30.47 1xk1 h VAL 195 CO 0.01 0.12 0.40 -0.09 0.02 0.00 0.00 177.57 178.03 1xk1 h ARG 196 N 0.67 0.71 -0.43 1.57 2.43 -1.05 0.55 114.38 118.83 1xk1 h ARG 196 Ca 0.18 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 1xk1 h ARG 196 Cb -0.07 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.30 1xk1 h ARG 196 CO -0.04 0.47 0.20 1.96 -1.51 0.00 0.00 179.97 181.04 1xk1 h GLN 197 N 0.73 0.63 -0.06 0.20 4.20 -0.66 -2.24 115.11 117.92 1xk1 h GLN 197 Ca 0.33 -0.10 -0.07 0.00 0.06 0.00 0.00 58.65 58.87 1xk1 h GLN 197 Cb 0.22 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1xk1 h GLN 197 CO -0.20 0.56 -0.28 0.00 -0.67 0.00 0.00 178.83 178.24 1xk1 h ARG 198 N 0.56 0.11 -0.36 1.46 3.08 -0.38 -1.60 114.38 117.24 1xk1 h ARG 198 Ca 0.15 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.11 1xk1 h ARG 198 Cb 0.15 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1xk1 h ARG 198 CO -0.02 0.38 0.02 0.28 -1.07 0.00 0.00 179.97 179.56 1xk1 h VAL 199 N 0.10 1.25 -0.17 2.04 2.07 -0.61 0.15 116.25 121.08 1xk1 h VAL 199 Ca 0.01 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.59 1xk1 h VAL 199 Cb 0.55 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1xk1 h VAL 199 CO 0.04 0.32 0.10 0.40 0.02 0.00 0.00 177.57 178.45 1xk1 h ILE 200 N 0.45 1.06 -0.16 4.57 1.08 -1.05 -1.47 117.51 122.00 1xk1 h ILE 200 Ca 0.11 -0.14 -0.05 0.00 -0.39 0.00 0.00 64.86 64.39 1xk1 h ILE 200 Cb 0.43 0.86 -0.01 0.00 -3.07 0.00 0.00 36.82 35.03 1xk1 h ILE 200 CO 0.02 0.06 -0.11 -0.33 -0.69 0.00 0.00 178.15 177.10 1xk1 h GLU 201 N 0.20 0.24 -0.05 2.37 4.39 -1.12 -2.08 114.58 118.53 1xk1 h GLU 201 Ca 0.06 -0.05 -0.12 0.00 0.34 0.00 0.00 59.36 59.59 1xk1 h GLU 201 Cb 0.00 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 1xk1 h GLU 201 CO -0.01 0.36 -0.52 1.49 -1.16 0.00 0.00 179.01 179.17 1xk1 h GLU 202 N 0.23 0.15 -0.27 2.33 4.57 -0.21 -1.73 114.58 119.65 1xk1 h GLU 202 Ca 0.05 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 1xk1 h GLU 202 Cb 0.34 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 1xk1 h GLU 202 CO 0.02 0.63 0.12 0.00 -1.18 0.00 0.00 179.01 178.60 1xk1 h ALA 203 N 1.35 0.35 -0.76 2.92 0.00 -0.60 0.15 119.26 122.68 1xk1 h ALA 203 Ca 0.00 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1xk1 h ALA 203 Cb 0.96 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 1xk1 h ALA 203 CO 0.08 -0.09 0.48 0.87 0.00 0.00 0.00 179.25 180.58 1xk1 h LYS 204 N 0.30 0.90 -0.98 0.00 1.57 -1.24 -0.35 116.57 116.76 1xk1 h LYS 204 Ca 0.09 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1xk1 h LYS 204 Cb 0.13 -0.20 -0.05 0.00 0.08 0.00 0.00 32.23 32.18 1xk1 h LYS 204 CO -0.01 0.59 0.65 1.15 -0.57 0.00 0.00 179.45 181.26 1xk1 h THR 205 N 0.92 1.20 -0.18 -0.16 2.02 -0.64 -1.38 112.91 114.70 1xk1 h THR 205 Ca 0.30 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1xk1 h THR 205 Cb 0.03 -0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.24 1xk1 h THR 205 CO -0.12 0.23 0.12 0.00 0.37 0.00 0.00 175.52 176.13 1xk1 h ALA 206 N 1.38 0.23 -0.71 6.16 0.00 0.88 -1.03 119.26 126.18 1xk1 h ALA 206 Ca 0.38 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.29 1xk1 h ALA 206 Cb -0.06 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1xk1 h ALA 206 CO -0.10 -0.28 0.44 0.74 0.00 0.00 0.00 179.25 180.05 1xk1 h PHE 207 N 0.24 0.83 -0.66 0.00 -1.00 -0.74 -2.39 116.94 113.22 1xk1 h PHE 207 Ca 0.07 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.87 1xk1 h PHE 207 Cb -0.01 -0.27 -0.03 0.00 3.61 0.00 0.00 35.95 39.24 1xk1 h PHE 207 CO -0.06 0.48 0.42 -0.07 -1.61 0.00 0.00 178.31 177.47 1xk1 h LEU 208 N 0.87 0.77 -1.23 1.54 3.38 -0.77 0.42 115.31 120.29 1xk1 h LEU 208 Ca 0.28 -0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.27 1xk1 h LEU 208 Cb 0.01 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 1xk1 h LEU 208 CO -0.11 0.58 0.54 -0.07 0.09 0.00 0.00 178.44 179.47 1xk1 h LEU 209 N 0.89 0.83 -0.14 1.67 3.38 -0.76 0.02 115.31 121.21 1xk1 h LEU 209 Ca 0.24 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.12 1xk1 h LEU 209 Cb -0.07 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.49 1xk1 h LEU 209 CO -0.05 0.55 -0.25 0.78 0.09 0.00 0.00 178.44 179.56 1xk1 h ASN 210 N 0.96 0.46 -0.78 -0.43 2.35 -0.87 -2.08 115.58 115.19 1xk1 h ASN 210 Ca 0.34 -0.55 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 1xk1 h ASN 210 Cb 0.14 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.34 1xk1 h ASN 210 CO -0.11 0.92 0.49 0.40 -1.65 0.00 0.00 177.43 177.48 1xk1 h ILE 211 N 0.02 1.21 0.00 2.81 2.04 -0.37 -1.38 117.51 121.84 1xk1 h ILE 211 Ca 0.01 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 1xk1 h ILE 211 Cb 0.84 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1xk1 h ILE 211 CO 0.06 0.21 -0.04 0.06 0.00 0.00 0.00 178.15 178.43 1xk1 h GLN 212 N 1.06 0.00 -0.21 2.37 3.07 -1.04 -2.02 115.11 118.34 1xk1 h GLN 212 Ca 0.28 0.00 -0.18 0.00 0.09 0.00 0.00 58.65 58.84 1xk1 h GLN 212 Cb -0.08 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.48 1xk1 h GLN 212 CO -0.06 0.04 -0.59 1.25 0.09 0.00 0.00 178.83 179.56 1xk1 h LEU 213 N 0.00 0.78 -0.38 0.06 5.85 -0.62 -2.79 115.31 118.20 1xk1 h LEU 213 Ca -0.00 -0.43 -0.15 0.00 0.84 0.00 0.00 57.88 58.14 1xk1 h LEU 213 Cb 0.85 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 1xk1 h LEU 213 CO 0.01 1.19 -0.34 -0.26 -0.34 0.00 0.00 178.44 178.70 1xk1 h PHE 214 N 0.52 1.07 -0.15 1.25 0.04 -1.01 -1.73 116.94 116.93 1xk1 h PHE 214 Ca -0.00 -0.31 0.04 0.00 2.80 0.00 0.00 57.97 60.50 1xk1 h PHE 214 Cb 1.17 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 39.09 1xk1 h PHE 214 CO 0.06 1.13 0.11 0.93 -0.60 0.00 0.00 178.31 179.94 1xk1 h GLU 215 N 0.71 0.00 0.09 1.51 5.08 -1.32 0.12 114.58 120.77 1xk1 h GLU 215 Ca 0.07 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.30 1xk1 h GLU 215 Cb 0.93 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.19 1xk1 h GLU 215 CO 0.09 0.00 -0.53 1.49 -1.00 0.00 0.00 179.01 179.05 1xk1 h GLU 216 N 0.00 0.21 0.00 2.33 4.81 -1.20 -2.42 114.58 118.30 1xk1 h GLU 216 Ca 0.07 -0.34 -0.00 0.00 -0.13 0.00 0.00 59.36 58.96 1xk1 h GLU 216 Cb 0.30 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 1xk1 h GLU 216 CO -0.00 1.15 -0.02 -0.07 -0.73 0.00 0.00 179.01 179.34 1xk1 h LEU 217 N -0.56 0.00 0.02 1.64 3.38 -0.57 0.16 115.31 119.38 1xk1 h LEU 217 Ca -0.09 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 1xk1 h LEU 217 Cb 1.41 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.16 1xk1 h LEU 217 CO 0.10 0.02 -0.33 -0.61 0.09 0.00 0.00 178.44 177.71 1xk1 h GLN 218 N 0.00 0.20 -0.38 1.13 5.75 -0.80 -2.04 115.11 118.96 1xk1 h GLN 218 Ca -0.00 -0.23 0.03 0.00 -0.15 0.00 0.00 58.65 58.29 1xk1 h GLN 218 Cb 0.07 0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.66 1xk1 h GLN 218 CO 0.00 0.99 0.19 1.49 -2.65 0.00 0.00 178.83 178.85 1xk1 h GLU 219 N -0.49 0.38 -0.37 1.69 4.81 -0.77 -2.86 114.58 116.97 1xk1 h GLU 219 Ca -0.05 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 1xk1 h GLU 219 Cb 1.12 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 1xk1 h GLU 219 CO 0.06 0.25 0.13 -0.07 -0.73 0.00 0.00 179.01 178.65 1xk1 h LEU 220 N 0.39 0.52 0.12 1.64 3.38 -0.79 -3.26 115.31 117.32 1xk1 h LEU 220 Ca 0.16 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1xk1 h LEU 220 Cb 0.07 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1xk1 h LEU 220 CO -0.11 0.57 -0.11 -0.07 0.09 0.00 0.00 178.44 178.81 1xk1 h LEU 221 N 0.44 -0.30 -9.07 1.67 3.38 -1.25 -3.40 115.31 106.78 1xk1 h LEU 221 Ca 0.12 0.03 -0.59 0.00 0.09 0.00 0.00 57.88 57.53 1xk1 h LEU 221 Cb 0.23 0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.00 1xk1 h LEU 221 CO -0.01 -0.18 0.44 0.42 0.09 0.00 0.00 178.44 179.20 1xk1 s THR 222 N -6.15 4.86 0.00 0.22 -4.23 -1.09 -5.11 115.64 104.14 1xk1 s THR 222 Ca -0.14 1.57 0.00 0.00 -1.18 0.00 0.00 61.69 61.94 1xk1 s THR 222 Cb 0.07 -4.12 0.00 0.00 1.34 0.00 0.00 72.50 69.79 1xk1 s THR 222 CO 0.66 -0.04 0.12 1.41 -0.54 0.00 0.00 174.62 176.23