#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u2w s TYR 12 N 0.00 -0.01 -1.58 1.61 5.04 -1.26 -4.90 117.35 116.26 1u2w s TYR 12 Ca 0.00 0.35 -0.14 0.00 -2.44 0.00 0.00 57.07 54.84 1u2w s TYR 12 Cb 0.00 -0.39 0.10 0.00 0.35 0.00 0.00 41.96 42.02 1u2w s TYR 12 CO 0.00 -0.20 0.86 -0.25 -1.34 0.00 0.00 175.55 174.61 1u2w n ASP 13 N 5.18 -3.73 -0.19 4.32 10.43 -1.26 -4.82 116.55 126.48 1u2w n ASP 13 Ca -0.06 -0.88 0.07 0.00 2.57 0.00 0.00 54.79 56.48 1u2w n ASP 13 Cb 0.50 -3.41 0.35 0.00 1.84 0.00 0.00 41.12 40.40 1u2w n ASP 13 CO 0.00 0.00 0.00 -0.33 -1.07 0.00 0.00 177.20 175.80 1u2w h GLU 14 N -1.84 0.73 0.01 -1.24 4.39 -1.99 -0.86 114.58 113.78 1u2w h GLU 14 Ca -0.59 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.07 1u2w h GLU 14 Cb 1.38 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1u2w h GLU 14 CO 0.70 0.48 -0.01 1.49 -1.16 0.00 0.00 179.01 180.52 1u2w h GLU 15 N 0.75 -0.02 -0.19 2.33 4.81 -1.99 0.22 114.58 120.50 1u2w h GLU 15 Ca 0.33 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.54 1u2w h GLU 15 Cb 0.30 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1u2w h GLU 15 CO -0.11 0.24 0.06 -0.22 -0.73 0.00 0.00 179.01 178.25 1u2w h LYS 16 N -0.27 0.29 -0.41 1.92 3.64 -1.75 -0.84 116.57 119.15 1u2w h LYS 16 Ca -0.00 -0.06 0.08 0.00 -1.27 0.00 0.00 60.65 59.39 1u2w h LYS 16 Cb 0.26 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 31.97 1u2w h LYS 16 CO 0.00 0.39 0.00 0.28 -2.27 0.00 0.00 179.45 177.86 1u2w h VAL 17 N 0.14 0.69 -0.37 2.00 2.07 -1.20 -0.74 116.25 118.84 1u2w h VAL 17 Ca 0.06 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.58 1u2w h VAL 17 Cb 0.22 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 1u2w h VAL 17 CO -0.00 0.02 0.14 0.78 0.02 0.00 0.00 177.57 178.53 1u2w h ASN 18 N 0.11 0.17 -0.07 0.57 2.35 -0.37 0.55 115.58 118.89 1u2w h ASN 18 Ca 0.20 0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.99 1u2w h ASN 18 Cb 0.29 0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.67 1u2w h ASN 18 CO -0.34 0.13 0.03 -0.09 -1.65 0.00 0.00 177.43 175.52 1u2w h ARG 19 N 0.30 0.09 -0.64 0.81 2.43 -0.74 0.34 114.38 116.98 1u2w h ARG 19 Ca 0.17 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.24 1u2w h ARG 19 Cb 0.13 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 1u2w h ARG 19 CO -0.16 0.19 0.07 0.82 -1.51 0.00 0.00 179.97 179.38 1u2w h ILE 20 N -0.02 1.26 -0.95 1.20 1.08 -0.99 0.18 117.51 119.27 1u2w h ILE 20 Ca 0.02 -1.08 0.11 0.00 -0.39 0.00 0.00 64.86 63.52 1u2w h ILE 20 Cb 0.13 0.71 -0.08 0.00 -3.07 0.00 0.00 36.82 34.51 1u2w h ILE 20 CO -0.00 0.40 0.58 1.56 -0.69 0.00 0.00 178.15 180.00 1u2w h GLN 21 N 0.99 0.91 -0.46 2.37 4.20 -0.69 -0.25 115.11 122.19 1u2w h GLN 21 Ca 0.19 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 1u2w h GLN 21 Cb 0.48 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 1u2w h GLN 21 CO 0.02 0.60 0.26 0.78 -0.67 0.00 0.00 178.83 179.82 1u2w h GLY 22 N 0.94 0.68 0.91 3.46 0.00 0.73 -0.19 103.07 109.61 1u2w h GLY 22 Ca 0.46 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.44 1u2w h GLY 22 CO -0.25 0.29 0.05 -1.80 0.00 0.00 0.00 176.54 174.83 1u2w h ASP 23 N 0.60 0.56 -0.83 0.19 3.58 -0.06 -2.98 116.42 117.48 1u2w h ASP 23 Ca 0.16 -0.26 0.03 0.00 0.42 0.00 0.00 57.03 57.38 1u2w h ASP 23 Cb 0.04 -0.15 -0.05 0.00 1.72 0.00 0.00 39.33 40.89 1u2w h ASP 23 CO -0.03 0.68 0.53 -0.07 -2.88 0.00 0.00 179.24 177.48 1u2w h LEU 24 N 0.42 0.88 -1.78 2.28 3.38 -0.90 -2.42 115.31 117.17 1u2w h LEU 24 Ca 0.11 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.09 1u2w h LEU 24 Cb 0.36 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1u2w h LEU 24 CO 0.01 0.61 0.18 -0.61 0.09 0.00 0.00 178.44 178.72 1u2w h GLN 25 N 1.04 0.29 0.00 1.13 4.15 -0.88 -1.76 115.11 119.08 1u2w h GLN 25 Ca 0.33 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.74 1u2w h GLN 25 Cb 0.02 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.64 1u2w h GLN 25 CO -0.12 0.19 0.00 0.25 -1.93 0.00 0.00 178.83 177.22 1u2w n THR 26 N -4.50 0.04 -4.88 2.39 -2.24 -0.91 -4.78 114.28 99.40 1u2w n THR 26 Ca 0.02 0.01 -0.29 0.00 -2.27 0.00 0.00 64.05 61.51 1u2w n THR 26 Cb 0.13 -0.58 -0.15 0.00 -2.10 0.00 0.00 70.33 67.63 1u2w n THR 26 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1u2w s VAL 27 N -2.13 2.05 -1.48 2.28 0.11 -0.66 -5.05 120.40 115.52 1u2w s VAL 27 Ca 0.37 -1.34 -0.12 0.00 -2.93 0.00 0.00 61.98 57.96 1u2w s VAL 27 Cb 0.19 -1.75 0.02 0.00 -1.53 0.00 0.00 36.38 33.31 1u2w s VAL 27 CO 0.34 0.35 2.37 -0.67 -3.33 0.00 0.00 175.10 174.16 1u2w n ASP 28 N 1.82 5.23 0.01 3.54 2.03 -1.26 -4.70 116.55 123.22 1u2w n ASP 28 Ca -0.17 -2.81 -0.07 0.00 0.52 0.00 0.00 54.79 52.26 1u2w n ASP 28 Cb 0.52 -1.61 0.11 0.00 -0.72 0.00 0.00 41.12 39.42 1u2w n ASP 28 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1u2w h ILE 29 N 3.70 1.31 -0.79 5.18 1.08 -1.95 -1.29 117.51 124.75 1u2w h ILE 29 Ca 0.63 -1.63 0.14 0.00 -0.39 0.00 0.00 64.86 63.61 1u2w h ILE 29 Cb 0.55 1.63 -0.09 0.00 -3.07 0.00 0.00 36.82 35.83 1u2w h ILE 29 CO 1.83 0.51 0.36 -1.28 -0.69 0.00 0.00 178.15 178.88 1u2w h SER 30 N 0.42 0.39 0.23 1.72 0.87 -1.98 -0.55 113.55 114.66 1u2w h SER 30 Ca 0.03 0.10 -0.14 0.00 -1.23 0.00 0.00 61.79 60.55 1u2w h SER 30 Cb 0.94 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.94 1u2w h SER 30 CO 0.08 0.15 -0.54 1.23 -0.53 0.00 0.00 176.83 177.23 1u2w h GLY 31 N 0.52 0.36 0.84 5.77 0.00 -1.66 -1.78 103.07 107.12 1u2w h GLY 31 Ca 0.43 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 47.33 1u2w h GLY 31 CO -0.38 0.37 0.03 -2.08 0.00 0.00 0.00 176.54 174.47 1u2w h VAL 32 N 0.26 1.23 -0.43 4.60 2.07 -0.71 -1.81 116.25 121.46 1u2w h VAL 32 Ca 0.01 -0.76 0.08 0.00 0.82 0.00 0.00 66.70 66.84 1u2w h VAL 32 Cb 1.03 1.33 -0.07 0.00 -1.52 0.00 0.00 31.29 32.06 1u2w h VAL 32 CO 0.09 0.24 -0.03 -1.28 0.02 0.00 0.00 177.57 176.60 1u2w h SER 33 N 0.14 -0.24 -0.12 0.57 0.87 -0.86 -0.70 113.55 113.20 1u2w h SER 33 Ca 0.06 0.11 0.02 0.00 -1.23 0.00 0.00 61.79 60.75 1u2w h SER 33 Cb 0.33 0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.48 1u2w h SER 33 CO 0.01 -0.08 0.01 1.56 -0.53 0.00 0.00 176.83 177.79 1u2w h GLN 34 N 0.07 0.06 -0.29 2.24 4.20 -1.17 0.78 115.11 121.00 1u2w h GLN 34 Ca 0.21 -0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.79 1u2w h GLN 34 Cb 0.31 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1u2w h GLN 34 CO -0.38 0.04 -0.36 0.97 -0.67 0.00 0.00 178.83 178.42 1u2w h ILE 35 N 0.06 1.29 -0.31 2.54 2.10 -1.07 -2.02 117.51 120.09 1u2w h ILE 35 Ca 0.06 -1.52 -0.12 0.00 1.08 0.00 0.00 64.86 64.36 1u2w h ILE 35 Cb 0.06 1.46 -0.01 0.00 -1.09 0.00 0.00 36.82 37.23 1u2w h ILE 35 CO -0.09 0.49 -0.30 -0.07 -1.08 0.00 0.00 178.15 177.10 1u2w h LEU 36 N 0.55 0.68 -0.76 2.19 3.38 -0.95 -2.31 115.31 118.09 1u2w h LEU 36 Ca 0.05 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 1u2w h LEU 36 Cb 0.88 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 1u2w h LEU 36 CO 0.08 0.94 0.37 0.50 0.09 0.00 0.00 178.44 180.42 1u2w h LYS 37 N 0.56 1.09 -0.58 1.13 3.64 -0.74 -0.24 116.57 121.42 1u2w h LYS 37 Ca 0.07 -0.16 0.03 0.00 -1.27 0.00 0.00 60.65 59.32 1u2w h LYS 37 Cb 0.80 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.39 1u2w h LYS 37 CO 0.07 0.84 0.35 0.00 -2.27 0.00 0.00 179.45 178.44 1u2w h ALA 38 N 1.19 0.75 0.03 5.00 0.00 -1.02 -3.01 119.26 122.19 1u2w h ALA 38 Ca 0.26 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.94 1u2w h ALA 38 Cb 0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1u2w h ALA 38 CO -0.03 0.08 -0.97 0.82 0.00 0.00 0.00 179.25 179.15 1u2w h ILE 39 N 0.70 1.51 -0.25 0.00 2.04 -1.22 -3.32 117.51 116.98 1u2w h ILE 39 Ca 0.23 -2.79 -0.02 0.00 1.00 0.00 0.00 64.86 63.28 1u2w h ILE 39 Cb 0.02 2.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.69 1u2w h ILE 39 CO -0.10 0.81 0.05 0.00 0.00 0.00 0.00 178.15 178.91 1u2w h ALA 40 N 0.88 1.62 -1.87 1.87 0.00 -0.91 -2.31 119.26 118.54 1u2w h ALA 40 Ca -0.06 -0.12 -0.63 0.00 0.00 0.00 0.00 54.91 54.10 1u2w h ALA 40 Cb 1.64 -0.11 0.09 0.00 0.00 0.00 0.00 17.79 19.40 1u2w h ALA 40 CO 0.15 0.29 0.24 -3.47 0.00 0.00 0.00 179.25 176.46 1u2w n ASP 41 N -4.38 1.41 -0.24 0.00 2.03 -1.18 -4.68 116.55 109.51 1u2w n ASP 41 Ca 0.01 1.15 -0.05 0.00 0.52 0.00 0.00 54.79 56.42 1u2w n ASP 41 Cb 0.17 -1.26 0.05 0.00 -0.72 0.00 0.00 41.12 39.36 1u2w n ASP 41 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1u2w h GLU 42 N 2.93 0.88 -0.26 -0.67 4.57 -1.94 0.30 114.58 120.39 1u2w h GLU 42 Ca -0.42 -0.05 -0.14 0.00 -1.18 0.00 0.00 59.36 57.57 1u2w h GLU 42 Cb 1.34 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.72 1u2w h GLU 42 CO 0.67 0.58 -0.42 -0.91 -1.18 0.00 0.00 179.01 177.75 1u2w h ASN 43 N 0.91 0.68 0.56 1.04 -0.26 -1.93 -2.69 115.58 113.89 1u2w h ASN 43 Ca 0.24 -0.31 -0.14 0.00 -0.56 0.00 0.00 56.30 55.53 1u2w h ASN 43 Cb -0.10 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 36.95 1u2w h ASN 43 CO -0.05 1.01 -0.64 0.03 -1.06 0.00 0.00 177.43 176.72 1u2w h ARG 44 N 0.52 0.07 -0.34 0.81 3.08 -1.62 -1.64 114.38 115.26 1u2w h ARG 44 Ca 0.04 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 1u2w h ARG 44 Cb 0.95 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.99 1u2w h ARG 44 CO 0.09 0.68 -0.10 0.00 -1.07 0.00 0.00 179.97 179.57 1u2w h ALA 45 N 1.30 1.21 -0.39 0.04 0.00 0.17 -1.19 119.26 120.39 1u2w h ALA 45 Ca -0.01 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.48 1u2w h ALA 45 Cb 1.14 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1u2w h ALA 45 CO 0.09 0.51 -0.36 0.87 0.00 0.00 0.00 179.25 180.36 1u2w h LYS 46 N 0.53 0.93 -0.17 0.00 1.57 -1.12 -1.13 116.57 117.18 1u2w h LYS 46 Ca 0.10 -0.48 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1u2w h LYS 46 Cb 0.49 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1u2w h LYS 46 CO 0.03 1.14 0.11 0.82 -0.57 0.00 0.00 179.45 180.97 1u2w h ILE 47 N 0.75 1.05 -0.01 1.86 2.04 -1.04 0.68 117.51 122.83 1u2w h ILE 47 Ca 0.06 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.84 1u2w h ILE 47 Cb 0.95 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 1u2w h ILE 47 CO 0.09 0.05 -0.03 0.74 0.00 0.00 0.00 178.15 178.99 1u2w h THR 48 N 0.22 0.91 -0.88 -0.27 2.02 -1.13 -0.16 112.91 113.63 1u2w h THR 48 Ca 0.06 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.26 1u2w h THR 48 Cb -0.02 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 1u2w h THR 48 CO -0.01 0.00 0.58 0.22 0.37 0.00 0.00 175.52 176.68 1u2w h TYR 49 N -0.05 1.09 -0.27 3.16 3.20 -1.09 -2.37 116.97 120.64 1u2w h TYR 49 Ca 0.02 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.84 1u2w h TYR 49 Cb 0.08 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 37.96 1u2w h TYR 49 CO -0.11 0.68 -0.14 0.00 -1.64 0.00 0.00 178.16 176.95 1u2w h ALA 50 N 1.46 1.26 0.00 1.82 0.00 -0.38 -1.04 119.26 122.38 1u2w h ALA 50 Ca 0.33 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1u2w h ALA 50 Cb -0.11 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1u2w h ALA 50 CO -0.08 0.49 0.00 1.28 0.00 0.00 0.00 179.25 180.94 1u2w n LEU 51 N -4.20 0.00 0.00 0.00 4.77 -0.12 -1.01 117.00 116.44 1u2w n LEU 51 Ca 0.00 0.32 0.14 0.00 -0.03 0.00 0.00 56.01 56.44 1u2w n LEU 51 Cb 0.33 -0.32 0.62 0.00 -2.33 0.00 0.00 43.42 41.72 1u2w n LEU 51 CO 0.40 -0.02 0.95 0.00 -1.33 0.00 0.00 177.39 177.39 1u2w n GLN 53 N -1.47 1.22 -4.05 0.00 1.13 -0.18 -4.98 117.38 109.05 1u2w n GLN 53 Ca 0.08 -0.06 -0.08 0.00 -1.94 0.00 0.00 57.00 55.00 1u2w n GLN 53 Cb 0.32 -1.31 -0.10 0.00 0.11 0.00 0.00 30.24 29.25 1u2w n GLN 53 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1u2w s ASP 54 N -3.08 0.41 0.16 1.08 -1.08 -1.22 -5.06 116.67 107.88 1u2w s ASP 54 Ca 0.01 -0.84 -0.11 0.00 -0.52 0.00 0.00 52.55 51.09 1u2w s ASP 54 Cb 0.11 0.17 0.03 0.00 -1.46 0.00 0.00 42.92 41.78 1u2w s ASP 54 CO 0.67 -0.50 1.61 -0.33 0.52 0.00 0.00 175.17 177.14 1u2w h GLU 55 N 3.63 0.94 -3.40 4.34 5.08 -1.94 -3.44 114.58 119.79 1u2w h GLU 55 Ca -0.33 -0.30 -0.17 0.00 -1.00 0.00 0.00 59.36 57.56 1u2w h GLU 55 Cb 1.16 -0.09 -0.24 0.00 0.50 0.00 0.00 28.75 30.09 1u2w h GLU 55 CO 0.58 0.95 -0.51 -1.21 -1.00 0.00 0.00 179.01 177.83 1u2w s GLU 56 N -5.02 0.32 0.03 2.33 2.02 -1.26 -4.37 118.70 112.76 1u2w s GLU 56 Ca -0.12 -0.04 0.02 0.00 0.02 0.00 0.00 54.97 54.85 1u2w s GLU 56 Cb 0.12 0.14 -0.02 0.00 0.10 0.00 0.00 34.13 34.47 1u2w s GLU 56 CO 0.83 -0.06 -0.08 -0.51 0.02 0.00 0.00 175.26 175.46 1u2w s LEU 57 N -0.55 2.21 0.58 1.80 1.43 -0.46 -4.92 118.68 118.76 1u2w s LEU 57 Ca -0.06 -0.46 -0.04 0.00 -1.03 0.00 0.00 54.13 52.53 1u2w s LEU 57 Cb -0.04 -0.20 0.02 0.00 0.03 0.00 0.00 46.19 46.00 1u2w s LEU 57 CO 0.01 -0.14 0.87 0.00 0.23 0.00 0.00 176.35 177.32 1u2w h VAL 59 N -0.13 1.09 -0.40 0.00 3.04 -2.00 -2.13 116.25 115.71 1u2w h VAL 59 Ca -0.45 -0.19 -0.06 0.00 -1.01 0.00 0.00 66.70 64.98 1u2w h VAL 59 Cb 1.27 0.68 -0.01 0.00 -2.01 0.00 0.00 31.29 31.21 1u2w h VAL 59 CO 0.59 0.09 0.01 0.00 -1.01 0.00 0.00 177.57 177.25 1u2w h ASP 61 N 0.54 0.65 -0.39 0.00 3.32 -1.80 -1.46 116.42 117.28 1u2w h ASP 61 Ca 0.12 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 1u2w h ASP 61 Cb 0.46 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1u2w h ASP 61 CO 0.02 0.47 0.04 0.40 -1.72 0.00 0.00 179.24 178.45 1u2w h ILE 62 N 0.77 1.25 -0.56 0.35 2.04 -1.08 0.11 117.51 120.38 1u2w h ILE 62 Ca 0.21 -0.91 -0.00 0.00 1.00 0.00 0.00 64.86 65.16 1u2w h ILE 62 Cb -0.08 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 1u2w h ILE 62 CO -0.05 0.31 0.34 0.00 0.00 0.00 0.00 178.15 178.75 1u2w h ALA 63 N 0.91 0.72 -0.35 1.87 0.00 -0.89 -1.07 119.26 120.44 1u2w h ALA 63 Ca 0.12 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 1u2w h ALA 63 Cb 0.40 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1u2w h ALA 63 CO 0.01 0.20 -0.36 -0.97 0.00 0.00 0.00 179.25 178.13 1u2w h ASN 64 N 0.76 0.93 -0.22 0.00 -1.24 -0.94 0.46 115.58 115.32 1u2w h ASN 64 Ca 0.20 -0.47 0.02 0.00 0.71 0.00 0.00 56.30 56.76 1u2w h ASN 64 Cb -0.02 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 38.75 1u2w h ASN 64 CO -0.04 1.21 0.08 0.40 -1.29 0.00 0.00 177.43 177.79 1u2w h ILE 65 N 0.66 0.96 0.00 2.57 2.04 -0.63 -2.86 117.51 120.25 1u2w h ILE 65 Ca 0.05 -0.07 -0.08 0.00 1.00 0.00 0.00 64.86 65.77 1u2w h ILE 65 Cb 0.95 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1u2w h ILE 65 CO 0.09 0.03 -0.38 -0.07 0.00 0.00 0.00 178.15 177.82 1u2w h LEU 66 N 0.19 0.00 -1.33 1.44 3.38 -1.01 -3.47 115.31 114.51 1u2w h LEU 66 Ca 0.09 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 1u2w h LEU 66 Cb 0.05 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.84 1u2w h LEU 66 CO -0.09 0.38 -0.18 0.61 0.09 0.00 0.00 178.44 179.25 1u2w n GLY 67 N -0.25 0.45 3.55 0.83 0.00 0.15 -5.07 105.19 104.84 1u2w n GLY 67 Ca -0.01 -0.40 -0.25 0.00 0.00 0.00 0.00 46.02 45.35 1u2w n GLY 67 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1u2w s VAL 68 N -3.08 1.57 0.73 1.61 -7.23 -0.30 -5.03 120.40 108.66 1u2w s VAL 68 Ca 0.09 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.13 1u2w s VAL 68 Cb -0.04 -2.86 0.04 0.00 0.56 0.00 0.00 36.38 34.07 1u2w s VAL 68 CO 0.18 0.00 1.12 0.42 -0.31 0.00 0.00 175.10 176.51 1u2w s THR 69 N -2.99 3.05 0.21 5.32 -4.23 -1.26 -4.51 115.64 111.24 1u2w s THR 69 Ca 0.34 0.43 -0.09 0.00 -1.18 0.00 0.00 61.69 61.19 1u2w s THR 69 Cb 0.09 -2.90 0.15 0.00 1.34 0.00 0.00 72.50 71.18 1u2w s THR 69 CO 0.16 -0.36 1.83 0.40 -0.54 0.00 0.00 174.62 176.11 1u2w h ILE 70 N -0.55 1.04 -0.90 2.99 2.04 -1.93 -1.68 117.51 118.53 1u2w h ILE 70 Ca -0.45 -0.28 0.10 0.00 1.00 0.00 0.00 64.86 65.23 1u2w h ILE 70 Cb 1.25 0.16 -0.08 0.00 -0.74 0.00 0.00 36.82 37.41 1u2w h ILE 70 CO 0.52 0.15 0.54 0.00 0.00 0.00 0.00 178.15 179.35 1u2w h ALA 71 N 1.33 1.30 -0.14 1.87 0.00 -1.98 -0.84 119.26 120.81 1u2w h ALA 71 Ca 0.30 0.02 -0.21 0.00 0.00 0.00 0.00 54.91 55.02 1u2w h ALA 71 Cb 0.11 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.73 1u2w h ALA 71 CO -0.15 0.17 -0.76 -0.97 0.00 0.00 0.00 179.25 177.54 1u2w h ASN 72 N 0.89 0.85 -0.46 0.00 -1.24 -1.82 -2.07 115.58 111.72 1u2w h ASN 72 Ca 0.43 -0.55 0.06 0.00 0.71 0.00 0.00 56.30 56.95 1u2w h ASN 72 Cb 0.39 -0.25 -0.05 0.00 0.73 0.00 0.00 38.32 39.13 1u2w h ASN 72 CO -0.25 1.34 0.16 0.00 -1.29 0.00 0.00 177.43 177.39 1u2w h ALA 73 N 0.65 0.56 -0.58 1.57 0.00 -1.25 -1.93 119.26 118.28 1u2w h ALA 73 Ca -0.05 0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1u2w h ALA 73 Cb 1.38 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.16 1u2w h ALA 73 CO 0.15 -0.23 0.32 0.77 0.00 0.00 0.00 179.25 180.26 1u2w h SER 74 N 0.33 0.47 -0.74 0.00 0.02 -1.04 -0.15 113.55 112.44 1u2w h SER 74 Ca 0.22 0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.14 1u2w h SER 74 Cb 0.22 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 1u2w h SER 74 CO -0.23 0.32 0.24 -0.74 -1.14 0.00 0.00 176.83 175.28 1u2w h HIS 75 N 0.60 1.19 -0.31 3.45 6.17 -1.04 0.35 115.15 125.56 1u2w h HIS 75 Ca 0.25 -0.12 -0.08 0.00 0.71 0.00 0.00 60.37 61.14 1u2w h HIS 75 Cb 0.13 -0.35 -0.01 0.00 2.52 0.00 0.00 27.41 29.71 1u2w h HIS 75 CO -0.09 0.93 -0.11 0.45 0.71 0.00 0.00 177.93 179.83 1u2w h HIS 76 N 1.11 0.70 -0.93 5.26 3.86 -0.91 -2.88 115.15 121.35 1u2w h HIS 76 Ca 0.24 -0.16 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1u2w h HIS 76 Cb 0.30 -0.17 -0.05 0.00 1.06 0.00 0.00 27.41 28.55 1u2w h HIS 76 CO 0.02 0.82 0.60 -0.07 0.86 0.00 0.00 177.93 180.16 1u2w h LEU 77 N 0.38 1.09 -0.56 2.43 3.38 -0.89 -0.45 115.31 120.70 1u2w h LEU 77 Ca 0.07 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.04 1u2w h LEU 77 Cb 0.61 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 1u2w h LEU 77 CO 0.04 0.81 0.31 -0.09 0.09 0.00 0.00 178.44 179.59 1u2w h ARG 78 N 1.27 0.57 -0.12 1.13 2.43 -0.90 0.12 114.38 118.88 1u2w h ARG 78 Ca 0.34 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1u2w h ARG 78 Cb -0.11 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.30 1u2w h ARG 78 CO -0.07 0.38 0.06 1.15 -1.51 0.00 0.00 179.97 179.98 1u2w h THR 79 N 0.59 1.12 -0.88 0.20 2.02 -1.24 -0.12 112.91 114.60 1u2w h THR 79 Ca 0.24 -0.36 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 1u2w h THR 79 Cb 0.11 1.14 -0.04 0.00 -1.74 0.00 0.00 68.15 67.62 1u2w h THR 79 CO -0.14 0.11 0.54 -0.07 0.37 0.00 0.00 175.52 176.33 1u2w h LEU 80 N 0.07 1.05 -0.33 2.58 3.38 -0.79 -1.95 115.31 119.32 1u2w h LEU 80 Ca 0.04 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1u2w h LEU 80 Cb 0.13 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1u2w h LEU 80 CO -0.01 0.80 0.21 0.22 0.09 0.00 0.00 178.44 179.76 1u2w h TYR 81 N 1.21 0.42 -0.06 1.13 3.20 -0.50 0.12 116.97 122.49 1u2w h TYR 81 Ca 0.32 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.14 1u2w h TYR 81 Cb -0.06 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.06 1u2w h TYR 81 CO -0.00 0.28 -0.22 0.87 -1.64 0.00 0.00 178.16 177.45 1u2w h LYS 82 N 0.44 0.11 -0.35 1.82 1.57 -0.58 -1.14 116.57 118.44 1u2w h LYS 82 Ca 0.12 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1u2w h LYS 82 Cb -0.04 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1u2w h LYS 82 CO -0.02 0.33 0.00 1.04 -0.57 0.00 0.00 179.45 180.22 1u2w n GLN 83 N -4.23 2.07 -1.47 3.15 1.13 -0.77 -4.93 117.38 112.32 1u2w n GLN 83 Ca -0.02 -1.63 -0.08 0.00 -1.94 0.00 0.00 57.00 53.33 1u2w n GLN 83 Cb 0.30 -1.41 -0.03 0.00 0.11 0.00 0.00 30.24 29.21 1u2w n GLN 83 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1u2w n GLY 84 N 1.27 0.77 0.09 1.08 0.00 -0.43 -4.82 105.19 103.15 1u2w n GLY 84 Ca 0.17 -0.63 -0.12 0.00 0.00 0.00 0.00 46.02 45.43 1u2w n GLY 84 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1u2w h VAL 85 N 0.00 1.18 -3.22 1.61 2.07 -0.97 -3.42 116.25 113.50 1u2w h VAL 85 Ca -0.18 -2.90 -0.66 0.00 0.82 0.00 0.00 66.70 63.79 1u2w h VAL 85 Cb 0.69 2.68 -0.19 0.00 -1.52 0.00 0.00 31.29 32.96 1u2w h VAL 85 CO 0.25 0.77 -0.82 0.68 0.02 0.00 0.00 177.57 178.46 1u2w s VAL 86 N -2.63 2.39 0.44 2.57 -7.23 -1.19 -0.76 120.40 113.98 1u2w s VAL 86 Ca -0.06 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.17 1u2w s VAL 86 Cb 0.08 -2.14 -0.04 0.00 0.56 0.00 0.00 36.38 34.83 1u2w s VAL 86 CO 0.83 -0.11 0.14 0.21 -0.31 0.00 0.00 175.10 175.87 1u2w s ASN 87 N -2.65 4.29 0.06 4.85 3.84 0.13 -4.46 114.94 121.00 1u2w s ASN 87 Ca 0.21 -1.23 -0.10 0.00 0.21 0.00 0.00 52.86 51.95 1u2w s ASN 87 Cb -0.08 -0.25 0.00 0.00 -0.55 0.00 0.00 41.25 40.37 1u2w s ASN 87 CO 0.10 -0.62 0.21 0.72 -2.79 0.00 0.00 177.10 174.72 1u2w s PHE 88 N -2.67 0.07 0.15 0.43 -0.12 -1.26 -1.23 117.98 113.35 1u2w s PHE 88 Ca 0.35 -0.37 0.06 0.00 -0.05 0.00 0.00 56.93 56.92 1u2w s PHE 88 Cb 0.04 -0.02 -0.04 0.00 -0.63 0.00 0.00 43.02 42.37 1u2w s PHE 88 CO 0.19 -0.49 -0.14 -0.98 -0.05 0.00 0.00 175.22 173.75 1u2w s ARG 89 N -3.09 1.15 0.05 1.99 1.70 -0.17 -4.97 118.95 115.60 1u2w s ARG 89 Ca -0.01 -1.40 0.01 0.00 -0.47 0.00 0.00 55.73 53.86 1u2w s ARG 89 Cb 0.01 -0.96 -0.04 0.00 -0.57 0.00 0.00 34.95 33.39 1u2w s ARG 89 CO -0.07 0.17 0.12 0.15 -1.08 0.00 0.00 175.30 174.59 1u2w s LYS 90 N -3.16 3.10 0.00 3.89 1.02 -1.26 -0.06 119.74 123.27 1u2w s LYS 90 Ca 0.15 -0.56 0.00 0.00 0.02 0.00 0.00 55.97 55.58 1u2w s LYS 90 Cb -0.02 -2.86 0.00 0.00 -0.52 0.00 0.00 37.83 34.43 1u2w s LYS 90 CO 0.04 0.60 0.00 -1.91 -0.92 0.00 0.00 175.35 173.16 1u2w n GLU 91 N 0.61 0.00 -0.32 1.68 2.13 -0.77 -4.92 120.64 119.05 1u2w n GLU 91 Ca -0.09 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.75 1u2w n GLU 91 Cb 0.52 0.00 0.08 0.00 0.27 0.00 0.00 31.44 32.31 1u2w n GLU 91 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1u2w h GLY 92 N 0.00 0.39 -3.86 8.31 0.00 -2.02 -3.40 103.07 102.50 1u2w h GLY 92 Ca 0.00 0.37 -0.50 0.00 0.00 0.00 0.00 47.33 47.20 1u2w h GLY 92 CO 0.00 -0.29 0.42 1.25 0.00 0.00 0.00 176.54 177.93 1u2w s LYS 93 N -6.14 4.71 -0.27 4.80 2.47 -1.26 -5.20 119.74 118.86 1u2w s LYS 93 Ca -0.14 1.65 -0.23 0.00 -1.56 0.00 0.00 55.97 55.69 1u2w s LYS 93 Cb 0.22 -3.25 0.07 0.00 -1.46 0.00 0.00 37.83 33.41 1u2w s LYS 93 CO 0.74 0.29 0.70 -1.17 0.16 0.00 0.00 175.35 176.08 1u2w s LEU 94 N -1.04 -0.73 -0.19 5.43 2.96 -1.26 -5.15 118.68 118.69 1u2w s LEU 94 Ca 0.44 1.43 -0.19 0.00 -0.22 0.00 0.00 54.13 55.59 1u2w s LEU 94 Cb -0.29 2.40 -0.03 0.00 0.50 0.00 0.00 46.19 48.78 1u2w s LEU 94 CO 0.36 -0.24 0.57 0.00 -1.32 0.00 0.00 176.35 175.71 1u2w s ALA 95 N 0.60 3.54 -0.19 5.97 0.00 -1.26 -1.85 121.76 128.57 1u2w s ALA 95 Ca -0.02 -0.33 -0.02 0.00 0.00 0.00 0.00 51.96 51.58 1u2w s ALA 95 Cb -0.05 -2.87 -0.01 0.00 0.00 0.00 0.00 23.12 20.19 1u2w s ALA 95 CO -0.03 -0.47 -0.08 -0.51 0.00 0.00 0.00 175.76 174.67 1u2w s LEU 96 N 1.70 2.78 -0.02 0.00 1.43 0.92 -4.00 118.68 121.50 1u2w s LEU 96 Ca 0.26 -0.39 -0.02 0.00 -1.03 0.00 0.00 54.13 52.95 1u2w s LEU 96 Cb -0.16 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 1u2w s LEU 96 CO 0.10 0.03 0.11 -0.31 0.23 0.00 0.00 176.35 176.51 1u2w s TYR 97 N 1.15 3.38 0.11 0.29 2.02 -0.46 -0.99 117.35 122.85 1u2w s TYR 97 Ca 0.01 0.27 -0.01 0.00 -0.37 0.00 0.00 57.07 56.98 1u2w s TYR 97 Cb -0.14 -1.78 -0.04 0.00 -0.40 0.00 0.00 41.96 39.60 1u2w s TYR 97 CO -0.02 0.59 0.02 -1.54 -1.57 0.00 0.00 175.55 173.03 1u2w s SER 98 N -1.71 0.48 0.33 2.29 1.04 -0.37 -1.36 113.70 114.41 1u2w s SER 98 Ca 0.23 -1.14 -0.28 0.00 0.48 0.00 0.00 55.95 55.24 1u2w s SER 98 Cb -0.12 0.24 -0.12 0.00 0.10 0.00 0.00 66.02 66.12 1u2w s SER 98 CO 0.14 -0.67 1.29 0.18 0.98 0.00 0.00 173.24 175.16 1u2w n LEU 99 N -0.05 3.48 -0.22 2.42 4.77 -1.26 -0.69 117.00 125.44 1u2w n LEU 99 Ca -0.08 1.20 -0.06 0.00 -0.03 0.00 0.00 56.01 57.04 1u2w n LEU 99 Cb 0.63 -1.48 -0.01 0.00 -2.33 0.00 0.00 43.42 40.23 1u2w n LEU 99 CO 0.30 -0.51 0.60 1.23 -1.33 0.00 0.00 177.39 177.68 1u2w h GLY 100 N 2.65 -0.27 0.00 -0.72 0.00 -1.20 -3.40 103.07 100.13 1u2w h GLY 100 Ca -0.46 0.51 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1u2w h GLY 100 CO 0.63 -0.18 0.00 2.09 0.00 0.00 0.00 176.54 179.08 1u2w n ASP 101 N -5.42 0.00 0.25 0.19 5.68 -1.26 -4.81 116.55 111.18 1u2w n ASP 101 Ca 0.03 -0.89 0.15 0.00 -0.50 0.00 0.00 54.79 53.59 1u2w n ASP 101 Cb 0.35 0.00 0.52 0.00 -1.14 0.00 0.00 41.12 40.86 1u2w n ASP 101 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1u2w h GLU 102 N 0.00 0.00 -0.93 0.11 4.39 -2.00 -2.84 114.58 113.31 1u2w h GLU 102 Ca 0.00 0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.83 1u2w h GLU 102 Cb 0.00 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 28.56 1u2w h GLU 102 CO 0.00 0.00 0.54 0.45 -1.16 0.00 0.00 179.01 178.84 1u2w h HIS 103 N 0.00 0.97 -0.14 4.33 3.86 -1.99 0.97 115.15 123.16 1u2w h HIS 103 Ca 0.00 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.17 1u2w h HIS 103 Cb 0.66 -0.30 -0.00 0.00 1.06 0.00 0.00 27.41 28.83 1u2w h HIS 103 CO 0.00 0.32 -0.21 0.82 0.86 0.00 0.00 177.93 179.73 1u2w h ILE 104 N 0.82 1.36 -0.92 2.45 1.08 -1.88 -0.70 117.51 119.73 1u2w h ILE 104 Ca 0.48 -1.43 0.08 0.00 -0.39 0.00 0.00 64.86 63.60 1u2w h ILE 104 Cb 0.58 1.95 -0.07 0.00 -3.07 0.00 0.00 36.82 36.21 1u2w h ILE 104 CO -0.31 0.42 0.57 -0.09 -0.69 0.00 0.00 178.15 178.06 1u2w h ARG 105 N 0.01 0.98 -0.23 2.37 2.43 -1.50 -1.76 114.38 116.67 1u2w h ARG 105 Ca 0.01 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 1u2w h ARG 105 Cb 0.77 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 1u2w h ARG 105 CO 0.05 0.65 0.02 1.96 -1.51 0.00 0.00 179.97 181.14 1u2w h GLN 106 N 1.00 0.40 -0.18 0.20 4.20 -0.54 -0.54 115.11 119.64 1u2w h GLN 106 Ca 0.41 -0.11 0.05 0.00 0.06 0.00 0.00 58.65 59.06 1u2w h GLN 106 Cb 0.25 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.93 1u2w h GLN 106 CO -0.20 0.55 -0.16 0.82 -0.67 0.00 0.00 178.83 179.17 1u2w h ILE 107 N 0.19 0.56 -0.10 2.54 2.04 -0.92 0.34 117.51 122.16 1u2w h ILE 107 Ca 0.07 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.95 1u2w h ILE 107 Cb 0.36 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 1u2w h ILE 107 CO 0.01 0.00 -0.05 -0.03 0.00 0.00 0.00 178.15 178.07 1u2w h MET 108 N -0.17 -0.05 -0.46 2.37 4.05 -1.22 -0.27 114.93 119.19 1u2w h MET 108 Ca 0.11 0.00 -0.14 0.00 -0.28 0.00 0.00 59.70 59.40 1u2w h MET 108 Cb 0.34 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.14 1u2w h MET 108 CO -0.28 -0.03 -0.26 0.52 0.23 0.00 0.00 176.91 177.08 1u2w h MET 109 N -0.05 0.99 -0.61 0.39 2.86 -0.80 -1.25 114.93 116.46 1u2w h MET 109 Ca 0.06 -0.45 -0.10 0.00 -2.06 0.00 0.00 59.70 57.15 1u2w h MET 109 Cb 0.13 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 1u2w h MET 109 CO -0.13 1.12 0.00 0.82 1.06 0.00 0.00 176.91 179.78 1u2w h ILE 110 N 0.83 1.27 -0.57 -1.22 2.04 -0.34 -1.51 117.51 118.01 1u2w h ILE 110 Ca 0.10 -1.15 0.00 0.00 1.00 0.00 0.00 64.86 64.80 1u2w h ILE 110 Cb 0.85 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 1u2w h ILE 110 CO 0.08 0.42 0.36 0.00 0.00 0.00 0.00 178.15 179.00 1u2w h ALA 111 N 1.01 0.73 -0.56 1.87 0.00 -0.87 -1.07 119.26 120.36 1u2w h ALA 111 Ca 0.17 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1u2w h ALA 111 Cb 0.56 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1u2w h ALA 111 CO 0.03 0.19 0.37 -0.07 0.00 0.00 0.00 179.25 179.78 1u2w h LEU 112 N 0.77 0.64 -0.31 0.00 3.38 -1.13 -2.07 115.31 116.60 1u2w h LEU 112 Ca 0.21 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.17 1u2w h LEU 112 Cb -0.04 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1u2w h LEU 112 CO -0.04 0.47 0.18 0.00 0.09 0.00 0.00 178.44 179.14 1u2w h ALA 113 N 1.21 0.39 -0.56 1.53 0.00 -1.04 -2.72 119.26 118.06 1u2w h ALA 113 Ca 0.21 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1u2w h ALA 113 Cb -0.09 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1u2w h ALA 113 CO -0.04 -0.18 0.31 1.25 0.00 0.00 0.00 179.25 180.59 1u2w h HIS 114 N 0.37 0.76 -0.13 0.00 -0.00 -1.02 -2.69 115.15 112.44 1u2w h HIS 114 Ca 0.12 -0.01 -0.04 0.00 -0.00 0.00 0.00 60.37 60.44 1u2w h HIS 114 Cb -0.00 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.15 1u2w h HIS 114 CO -0.08 0.55 -0.10 -0.22 -0.00 0.00 0.00 177.93 178.08 1u2w h LYS 115 N 0.75 0.20 -0.00 5.26 1.63 -1.32 -2.34 116.57 120.75 1u2w h LYS 115 Ca 0.20 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.96 1u2w h LYS 115 Cb 0.03 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1u2w h LYS 115 CO -0.03 0.31 -0.16 0.36 -3.45 0.00 0.00 179.45 176.48 1u2w n LYS 116 N -4.32 0.60 0.00 1.90 2.85 -1.03 -5.12 118.16 113.03 1u2w n LYS 116 Ca -0.01 -0.24 0.07 0.00 -1.05 0.00 0.00 58.31 57.08 1u2w n LYS 116 Cb 0.23 -1.50 0.06 0.00 -0.65 0.00 0.00 35.03 33.18 1u2w n LYS 116 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50