#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k1i n GLN 28 N 0.00 0.93 -0.03 1.43 10.64 -1.26 -4.03 117.38 125.06 3k1i n GLN 28 Ca 0.00 0.00 -0.14 0.00 -1.83 0.00 0.00 57.00 55.03 3k1i n GLN 28 Cb 0.00 -1.04 -0.10 0.00 -0.86 0.00 0.00 30.24 28.23 3k1i n GLN 28 CO 0.00 0.00 0.00 1.96 -1.83 0.00 0.00 177.06 177.19 3k1i h GLN 29 N 0.00 0.19 -0.51 2.61 1.08 -2.05 -1.83 115.11 114.60 3k1i h GLN 29 Ca 0.00 -0.16 0.06 0.00 -1.45 0.00 0.00 58.65 57.10 3k1i h GLN 29 Cb 0.00 0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 27.41 3k1i h GLN 29 CO 0.00 0.83 0.21 0.97 -0.95 0.00 0.00 178.83 179.89 3k1i h ILE 30 N -0.40 0.87 -0.87 2.54 6.09 -2.00 0.38 117.51 124.13 3k1i h ILE 30 Ca -0.02 -0.14 0.03 0.00 -1.37 0.00 0.00 64.86 63.36 3k1i h ILE 30 Cb 0.88 0.42 -0.05 0.00 0.47 0.00 0.00 36.82 38.54 3k1i h ILE 30 CO 0.04 0.08 0.56 0.00 -3.07 0.00 0.00 178.15 175.76 3k1i h ALA 31 N 1.32 1.14 0.13 0.18 0.00 -1.77 -1.54 119.26 118.72 3k1i h ALA 31 Ca 0.24 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3k1i h ALA 31 Cb 0.22 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3k1i h ALA 31 CO -0.22 0.41 -0.06 -0.22 0.00 0.00 0.00 179.25 179.16 3k1i h LYS 32 N 1.10 -0.17 -0.54 0.00 3.64 -0.66 -2.56 116.57 117.38 3k1i h LYS 32 Ca 0.34 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.84 3k1i h LYS 32 Cb -0.01 0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 31.76 3k1i h LYS 32 CO -0.11 0.28 0.03 0.35 -2.27 0.00 0.00 179.45 177.74 3k1i h PHE 33 N -0.74 0.03 0.16 1.91 3.57 -0.92 0.18 116.94 121.12 3k1i h PHE 33 Ca -0.02 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 3k1i h PHE 33 Cb 0.53 0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.35 3k1i h PHE 33 CO 0.09 -0.10 -0.07 1.03 -2.23 0.00 0.00 178.31 177.02 3k1i h SER 34 N 0.15 -0.18 -1.00 0.41 0.87 -1.32 -1.72 113.55 110.76 3k1i h SER 34 Ca 0.28 -0.10 0.24 0.00 -1.23 0.00 0.00 61.79 60.98 3k1i h SER 34 Cb 0.42 0.05 -0.12 0.00 -0.44 0.00 0.00 62.40 62.31 3k1i h SER 34 CO -0.43 -0.00 0.60 0.03 -0.53 0.00 0.00 176.83 176.49 3k1i h ARG 35 N -0.34 0.58 0.03 2.24 3.08 -1.14 -2.33 114.38 116.51 3k1i h ARG 35 Ca -0.02 -0.03 -0.20 0.00 0.07 0.00 0.00 59.98 59.79 3k1i h ARG 35 Cb 0.27 -0.13 0.02 0.00 0.08 0.00 0.00 29.97 30.21 3k1i h ARG 35 CO 0.04 0.38 -0.82 -0.44 -1.07 0.00 0.00 179.97 178.06 3k1i h ASP 36 N 0.60 0.66 -0.77 7.04 3.32 0.01 -2.57 116.42 124.71 3k1i h ASP 36 Ca 0.64 -0.79 -0.04 0.00 0.02 0.00 0.00 57.03 56.87 3k1i h ASP 36 Cb 1.20 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.51 3k1i h ASP 36 CO -0.47 1.37 0.34 0.24 -1.72 0.00 0.00 179.24 179.00 3k1i h MET 37 N 0.03 1.13 -0.48 3.56 2.86 -1.29 0.86 114.93 121.60 3k1i h MET 37 Ca -0.11 -0.19 0.04 0.00 -2.06 0.00 0.00 59.70 57.38 3k1i h MET 37 Cb 1.53 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 32.95 3k1i h MET 37 CO 0.16 0.90 0.26 0.87 1.06 0.00 0.00 176.91 180.15 3k1i h LYS 38 N 1.10 0.49 -0.39 1.72 1.57 -1.46 0.33 116.57 119.93 3k1i h LYS 38 Ca 0.26 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.97 3k1i h LYS 38 Cb 0.17 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 3k1i h LYS 38 CO -0.03 0.32 0.08 -0.91 -0.57 0.00 0.00 179.45 178.34 3k1i h ASN 39 N 0.50 0.61 0.11 0.86 2.35 -1.15 -2.00 115.58 116.86 3k1i h ASN 39 Ca 0.20 -0.25 0.02 0.00 -0.55 0.00 0.00 56.30 55.72 3k1i h ASN 39 Cb 0.09 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.27 3k1i h ASN 39 CO -0.13 0.70 -0.22 0.40 -1.65 0.00 0.00 177.43 176.53 3k1i h ILE 40 N 0.49 0.50 -0.99 2.81 2.04 -0.52 0.28 117.51 122.12 3k1i h ILE 40 Ca 0.12 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.19 3k1i h ILE 40 Cb 0.34 0.50 -0.11 0.00 -0.74 0.00 0.00 36.82 36.80 3k1i h ILE 40 CO 0.00 0.00 0.59 0.78 0.00 0.00 0.00 178.15 179.52 3k1i h ASN 41 N -0.41 0.71 -0.34 1.72 2.35 -0.26 1.11 115.58 120.46 3k1i h ASN 41 Ca 0.03 0.11 -0.15 0.00 -0.55 0.00 0.00 56.30 55.75 3k1i h ASN 41 Cb 0.44 -0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.80 3k1i h ASN 41 CO -0.13 0.20 -0.37 -0.33 -1.65 0.00 0.00 177.43 175.15 3k1i h GLU 42 N 0.67 0.86 -0.56 0.81 5.08 -0.49 -2.26 114.58 118.68 3k1i h GLU 42 Ca 0.60 -0.46 -0.08 0.00 -1.00 0.00 0.00 59.36 58.42 3k1i h GLU 42 Cb 1.02 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 3k1i h GLU 42 CO -0.42 1.10 0.03 0.77 -1.00 0.00 0.00 179.01 179.49 3k1i h SER 43 N 0.65 0.91 0.06 1.42 0.02 0.22 -2.30 113.55 114.53 3k1i h SER 43 Ca 0.05 -0.23 0.01 0.00 -0.84 0.00 0.00 61.79 60.78 3k1i h SER 43 Cb 0.96 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.23 3k1i h SER 43 CO 0.09 0.95 -0.28 0.58 -1.14 0.00 0.00 176.83 177.03 3k1i h VAL 44 N 0.88 0.00 -0.59 2.27 2.07 0.13 -1.72 116.25 119.29 3k1i h VAL 44 Ca 0.17 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.81 3k1i h VAL 44 Cb 0.47 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.14 3k1i h VAL 44 CO 0.02 0.00 -0.05 1.23 0.02 0.00 0.00 177.57 178.79 3k1i h GLY 45 N -0.40 0.56 -0.58 2.17 0.00 -1.34 0.32 103.07 103.79 3k1i h GLY 45 Ca -0.00 0.12 0.08 0.00 0.00 0.00 0.00 47.33 47.52 3k1i h GLY 45 CO -0.16 -0.20 -0.51 0.00 0.00 0.00 0.00 176.54 175.67 3k1i h ALA 46 N 1.55 -0.52 -0.57 3.60 0.00 -1.24 0.85 119.26 122.93 3k1i h ALA 46 Ca 0.30 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.34 3k1i h ALA 46 Cb 0.47 1.11 -0.05 0.00 0.00 0.00 0.00 17.79 19.32 3k1i h ALA 46 CO -0.54 -0.93 0.29 -0.07 0.00 0.00 0.00 179.25 178.00 3k1i h LEU 47 N -0.24 0.41 -0.99 0.00 3.38 0.25 -2.06 115.31 116.06 3k1i h LEU 47 Ca 0.14 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.17 3k1i h LEU 47 Cb 0.55 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.20 3k1i h LEU 47 CO -0.72 0.28 0.66 1.56 0.09 0.00 0.00 178.44 180.31 3k1i h GLN 48 N 0.55 1.27 -0.14 1.13 4.20 0.55 0.08 115.11 122.76 3k1i h GLN 48 Ca 0.25 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 3k1i h GLN 48 Cb 0.17 -0.29 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 3k1i h GLN 48 CO -0.18 0.84 0.02 0.28 -0.67 0.00 0.00 178.83 179.12 3k1i h VAL 49 N 1.31 1.23 -0.52 -0.54 2.07 -0.20 -1.64 116.25 117.96 3k1i h VAL 49 Ca 0.38 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 3k1i h VAL 49 Cb -0.09 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 3k1i h VAL 49 CO -0.10 0.21 0.29 0.25 0.02 0.00 0.00 177.57 178.24 3k1i h LEU 50 N -0.00 0.63 -0.64 2.57 5.85 -1.27 -0.28 115.31 122.17 3k1i h LEU 50 Ca 0.04 -0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.82 3k1i h LEU 50 Cb 0.31 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 41.11 3k1i h LEU 50 CO 0.00 0.51 0.25 -0.61 -0.34 0.00 0.00 178.44 178.25 3k1i h GLN 51 N 0.72 0.41 0.06 1.25 4.15 -0.58 0.07 115.11 121.20 3k1i h GLN 51 Ca 0.19 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.58 3k1i h GLN 51 Cb 0.02 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.61 3k1i h GLN 51 CO -0.03 0.27 -0.03 0.82 -1.93 0.00 0.00 178.83 177.94 3k1i h ILE 52 N 0.43 1.27 -0.31 2.39 2.04 -0.20 -1.85 117.51 121.27 3k1i h ILE 52 Ca 0.33 -1.27 0.06 0.00 1.00 0.00 0.00 64.86 64.97 3k1i h ILE 52 Cb 0.41 2.08 -0.08 0.00 -0.74 0.00 0.00 36.82 38.49 3k1i h ILE 52 CO -0.32 0.31 -0.45 0.00 0.00 0.00 0.00 178.15 177.69 3k1i h ALA 53 N 0.19 -0.54 -0.09 1.87 0.00 -1.08 0.25 119.26 119.87 3k1i h ALA 53 Ca -0.01 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.96 3k1i h ALA 53 Cb 0.57 0.89 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 3k1i h ALA 53 CO 0.01 -0.91 0.08 0.00 0.00 0.00 0.00 179.25 178.43 3k1i h LYS 55 N 0.00 -0.00 -0.99 0.00 1.57 -0.36 -2.24 116.57 114.55 3k1i h LYS 55 Ca 0.04 0.00 0.24 0.00 -1.87 0.00 0.00 60.65 59.07 3k1i h LYS 55 Cb 0.21 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.39 3k1i h LYS 55 CO -0.00 0.70 0.56 0.87 -0.57 0.00 0.00 179.45 181.01 3k1i h LYS 56 N -0.71 0.53 -0.07 3.15 1.79 0.37 -1.35 116.57 120.28 3k1i h LYS 56 Ca -0.00 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.43 3k1i h LYS 56 Cb 0.70 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 31.23 3k1i h LYS 56 CO 0.00 0.35 0.03 -0.07 -1.08 0.00 0.00 179.45 178.68 3k1i h LEU 57 N 0.55 0.09 0.43 2.94 4.07 -0.72 -2.11 115.31 120.56 3k1i h LEU 57 Ca 0.63 -0.15 -0.01 0.00 0.08 0.00 0.00 57.88 58.43 3k1i h LEU 57 Cb 1.21 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.91 3k1i h LEU 57 CO -0.49 0.21 -0.32 0.15 -1.08 0.00 0.00 178.44 176.92 3k1i h PHE 58 N -0.04 -0.85 -0.28 1.13 3.57 -0.64 -2.30 116.94 117.53 3k1i h PHE 58 Ca 0.02 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.55 3k1i h PHE 58 Cb 0.15 0.32 -0.03 0.00 2.79 0.00 0.00 35.95 39.18 3k1i h PHE 58 CO -0.02 -0.47 0.10 -0.91 -2.23 0.00 0.00 178.31 174.77 3k1i h ASN 59 N -0.74 0.11 -0.63 0.41 2.35 -1.38 -1.69 115.58 114.01 3k1i h ASN 59 Ca -0.04 0.03 0.10 0.00 -0.55 0.00 0.00 56.30 55.83 3k1i h ASN 59 Cb 0.63 0.02 -0.04 0.00 0.05 0.00 0.00 38.32 38.98 3k1i h ASN 59 CO 0.01 0.10 0.42 0.50 -1.65 0.00 0.00 177.43 176.81 3k1i h LYS 60 N 0.22 0.45 0.00 0.81 1.63 -1.34 -1.83 116.57 116.51 3k1i h LYS 60 Ca 0.12 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.90 3k1i h LYS 60 Cb 0.09 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.62 3k1i h LYS 60 CO -0.13 0.30 0.00 0.66 -3.45 0.00 0.00 179.45 176.83 3k1i h SER 61 N 0.47 0.00 -2.54 4.20 4.64 -0.72 -3.45 113.55 116.15 3k1i h SER 61 Ca 0.29 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 61.09 3k1i h SER 61 Cb 0.53 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.65 3k1i h SER 61 CO -0.09 0.00 1.11 -0.32 -0.87 0.00 0.00 176.83 176.66 3k1i s MET 62 N -3.24 4.15 -0.19 4.77 1.75 -0.69 -2.20 119.30 123.65 3k1i s MET 62 Ca 0.07 2.56 0.00 0.00 -1.25 0.00 0.00 55.69 57.07 3k1i s MET 62 Cb 0.09 -3.65 0.00 0.00 2.84 0.00 0.00 34.83 34.10 3k1i s MET 62 CO 0.60 -0.84 0.00 0.41 -0.65 0.00 0.00 175.02 174.54 3k1i n GLY 63 N 4.23 0.45 0.41 2.11 0.00 -1.26 -4.91 105.19 106.22 3k1i n GLY 63 Ca 0.18 -0.13 0.21 0.00 0.00 0.00 0.00 46.02 46.28 3k1i n GLY 63 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3k1i h LEU 64 N 0.00 0.35 -0.95 0.99 5.85 -1.74 -0.63 115.31 119.18 3k1i h LEU 64 Ca -0.04 0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.62 3k1i h LEU 64 Cb 0.44 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 3k1i h LEU 64 CO 0.05 0.13 -0.47 1.05 -0.34 0.00 0.00 178.44 178.86 3k1i h GLU 65 N 0.34 0.13 -1.87 1.25 4.11 -1.91 -3.05 114.58 113.58 3k1i h GLU 65 Ca 0.49 -0.07 -0.09 0.00 0.07 0.00 0.00 59.36 59.76 3k1i h GLU 65 Cb 1.32 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.53 3k1i h GLU 65 CO -0.17 0.57 0.11 -0.25 0.07 0.00 0.00 179.01 179.34 3k1i n ASP 66 N -3.98 5.65 -4.22 3.06 8.00 -0.24 -4.88 116.55 119.94 3k1i n ASP 66 Ca -0.02 -2.59 -0.13 0.00 0.71 0.00 0.00 54.79 52.77 3k1i n ASP 66 Cb 0.50 -1.11 -0.10 0.00 -0.02 0.00 0.00 41.12 40.39 3k1i n ASP 66 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3k1i s LYS 67 N -0.48 0.99 0.91 -1.24 -0.14 -1.15 -5.09 119.74 113.53 3k1i s LYS 67 Ca 0.09 -1.43 -0.10 0.00 -1.36 0.00 0.00 55.97 53.17 3k1i s LYS 67 Cb 0.07 -0.38 0.14 0.00 -1.68 0.00 0.00 37.83 35.97 3k1i s LYS 67 CO -0.00 -0.01 1.14 -0.51 -0.76 0.00 0.00 175.35 175.20 3k1i s ASP 68 N -3.13 3.04 0.22 2.83 1.11 -1.26 -4.77 116.67 114.71 3k1i s ASP 68 Ca 0.17 2.12 -0.08 0.00 0.18 0.00 0.00 52.55 54.93 3k1i s ASP 68 Cb 0.04 -2.55 0.34 0.00 1.07 0.00 0.00 42.92 41.83 3k1i s ASP 68 CO -0.01 -3.02 1.71 0.00 1.18 0.00 0.00 175.17 175.03 3k1i h ALA 69 N -1.81 0.81 0.13 5.23 0.00 -1.98 0.90 119.26 122.55 3k1i h ALA 69 Ca -0.44 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3k1i h ALA 69 Cb 1.27 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.22 3k1i h ALA 69 CO 0.43 -0.28 -0.06 -0.07 0.00 0.00 0.00 179.25 179.26 3k1i h LEU 70 N 0.31 -0.15 -0.36 0.00 3.38 -1.99 0.00 115.31 116.50 3k1i h LEU 70 Ca 0.35 -0.34 0.08 0.00 0.09 0.00 0.00 57.88 58.05 3k1i h LEU 70 Cb 0.52 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.23 3k1i h LEU 70 CO -0.41 0.29 -0.23 1.56 0.09 0.00 0.00 178.44 179.75 3k1i h GLN 71 N -0.64 -0.17 -0.78 1.13 4.20 -1.91 -1.19 115.11 115.76 3k1i h GLN 71 Ca -0.02 0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.77 3k1i h GLN 71 Cb 0.49 0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.24 3k1i h GLN 71 CO 0.03 -0.11 0.46 0.00 -0.67 0.00 0.00 178.83 178.53 3k1i h ALA 72 N 1.01 1.08 -0.08 3.87 0.00 -0.79 0.51 119.26 124.86 3k1i h ALA 72 Ca 0.18 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.14 3k1i h ALA 72 Cb 0.45 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3k1i h ALA 72 CO -0.47 0.14 -0.21 0.77 0.00 0.00 0.00 179.25 179.48 3k1i h SER 73 N 0.81 -0.64 -0.51 0.00 0.02 -0.25 0.12 113.55 113.10 3k1i h SER 73 Ca 0.36 0.10 0.08 0.00 -0.84 0.00 0.00 61.79 61.49 3k1i h SER 73 Cb 0.24 0.28 -0.07 0.00 0.14 0.00 0.00 62.40 63.00 3k1i h SER 73 CO -0.20 -0.27 0.14 0.40 -1.14 0.00 0.00 176.83 175.76 3k1i h ILE 74 N -0.30 0.76 -0.42 3.27 1.08 -0.26 -1.38 117.51 120.27 3k1i h ILE 74 Ca 0.08 -0.10 -0.03 0.00 -0.39 0.00 0.00 64.86 64.42 3k1i h ILE 74 Cb 0.42 0.44 -0.02 0.00 -3.07 0.00 0.00 36.82 34.59 3k1i h ILE 74 CO -0.25 0.05 0.13 0.40 -0.69 0.00 0.00 178.15 177.79 3k1i h ILE 75 N 0.29 1.22 -0.18 -0.67 2.04 -0.30 -1.92 117.51 117.99 3k1i h ILE 75 Ca 0.25 -0.73 -0.04 0.00 1.00 0.00 0.00 64.86 65.34 3k1i h ILE 75 Cb 0.31 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 3k1i h ILE 75 CO -0.29 0.26 -0.05 0.11 0.00 0.00 0.00 178.15 178.17 3k1i h LYS 76 N 0.54 0.27 -0.72 2.37 1.57 -0.36 0.35 116.57 120.59 3k1i h LYS 76 Ca 0.14 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 3k1i h LYS 76 Cb 0.27 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 3k1i h LYS 76 CO -0.00 0.34 0.30 0.37 -0.57 0.00 0.00 179.45 179.89 3k1i h GLN 77 N 0.26 1.07 0.04 3.15 4.15 -0.91 -2.28 115.11 120.59 3k1i h GLN 77 Ca 0.06 -0.19 -0.22 0.00 0.77 0.00 0.00 58.65 59.07 3k1i h GLN 77 Cb 0.27 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 3k1i h GLN 77 CO 0.01 0.87 -1.00 1.49 -1.93 0.00 0.00 178.83 178.28 3k1i h GLU 78 N 1.03 0.19 -0.89 1.69 4.57 -0.19 -2.26 114.58 118.72 3k1i h GLU 78 Ca 0.24 -0.25 0.05 0.00 -1.18 0.00 0.00 59.36 58.22 3k1i h GLU 78 Cb 0.19 0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 28.81 3k1i h GLU 78 CO -0.02 1.04 0.57 -0.07 -1.18 0.00 0.00 179.01 179.34 3k1i h LEU 79 N 0.08 0.93 -0.73 1.64 3.38 -0.33 -1.73 115.31 118.55 3k1i h LEU 79 Ca -0.06 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 3k1i h LEU 79 Cb 1.68 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.22 3k1i h LEU 79 CO 0.15 0.62 -0.25 -0.09 0.09 0.00 0.00 178.44 178.97 3k1i h ARG 80 N 1.08 0.70 -0.64 1.13 2.43 -1.10 -2.71 114.38 115.27 3k1i h ARG 80 Ca 0.37 -0.29 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 3k1i h ARG 80 Cb 0.07 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 3k1i h ARG 80 CO -0.14 0.88 0.19 0.93 -1.51 0.00 0.00 179.97 180.32 3k1i h GLU 81 N 0.61 0.98 -0.00 0.20 4.39 -0.92 0.28 114.58 120.12 3k1i h GLU 81 Ca 0.08 -0.20 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 3k1i h GLU 81 Cb 0.74 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.24 3k1i h GLU 81 CO 0.06 0.85 0.00 0.82 -1.16 0.00 0.00 179.01 179.58 3k1i h ILE 82 N 0.94 1.16 -0.21 3.13 1.08 -1.21 -1.80 117.51 120.61 3k1i h ILE 82 Ca 0.21 -0.48 -0.02 0.00 -0.39 0.00 0.00 64.86 64.18 3k1i h ILE 82 Cb 0.29 1.48 -0.01 0.00 -3.07 0.00 0.00 36.82 35.51 3k1i h ILE 82 CO -0.01 0.12 0.03 0.58 -0.69 0.00 0.00 178.15 178.19 3k1i h VAL 83 N -0.20 1.23 0.00 1.67 2.07 -1.18 -1.93 116.25 117.91 3k1i h VAL 83 Ca 0.00 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.78 3k1i h VAL 83 Cb 0.20 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 3k1i h VAL 83 CO -0.00 0.23 0.00 -0.62 0.02 0.00 0.00 177.57 177.20 3k1i n GLU 84 N -4.74 0.19 -0.00 1.57 1.02 0.95 -3.08 120.64 116.56 3k1i n GLU 84 Ca -0.04 0.36 0.08 0.00 -0.02 0.00 0.00 57.16 57.54 3k1i n GLU 84 Cb 0.19 -1.83 -0.10 0.00 -0.02 0.00 0.00 31.44 29.69 3k1i n GLU 84 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3k1i n ASN 85 N -2.18 0.79 -4.59 1.62 4.13 -0.68 -4.92 115.26 109.43 3k1i n ASN 85 Ca 0.03 -0.89 -0.43 0.00 1.68 0.00 0.00 54.58 54.97 3k1i n ASN 85 Cb 0.27 1.00 -0.02 0.00 -1.54 0.00 0.00 39.78 39.49 3k1i n ASN 85 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3k1i s GLN 87 N 4.95 0.95 -0.16 0.00 1.03 -1.26 -3.19 119.66 121.97 3k1i s GLN 87 Ca 0.55 -1.06 -0.09 0.00 0.04 0.00 0.00 55.36 54.81 3k1i s GLN 87 Cb -0.11 0.35 0.06 0.00 0.03 0.00 0.00 33.01 33.33 3k1i s GLN 87 CO 0.31 -0.32 0.40 0.12 -2.54 0.00 0.00 175.29 173.25 3k1i s PHE 88 N -3.91 -0.58 -1.29 9.60 5.36 -0.79 -4.89 117.98 121.48 3k1i s PHE 88 Ca 0.10 1.24 -0.01 0.00 -0.96 0.00 0.00 56.93 57.30 3k1i s PHE 88 Cb 0.04 0.25 -0.00 0.00 -0.34 0.00 0.00 43.02 42.97 3k1i s PHE 88 CO -0.07 -0.33 0.71 1.28 -1.46 0.00 0.00 175.22 175.35 3k1i n LEU 89 N 4.23 -3.17 -1.57 6.12 4.77 -1.26 -2.28 117.00 123.85 3k1i n LEU 89 Ca -0.23 -0.83 -0.06 0.00 -0.03 0.00 0.00 56.01 54.86 3k1i n LEU 89 Cb 0.55 -2.66 -0.02 0.00 -2.33 0.00 0.00 43.42 38.96 3k1i n LEU 89 CO 0.09 0.40 -0.06 0.00 -1.33 0.00 0.00 177.39 176.49 3k1i n ALA 90 N -4.23 -0.34 -2.57 -1.18 0.00 -1.26 -4.93 120.51 106.00 3k1i n ALA 90 Ca -0.28 0.08 -0.23 0.00 0.00 0.00 0.00 53.44 53.01 3k1i n ALA 90 Cb 0.67 -0.81 -0.13 0.00 0.00 0.00 0.00 19.45 19.18 3k1i n ALA 90 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3k1i s SER 91 N -1.65 2.31 1.36 0.00 0.15 -0.96 -5.13 113.70 109.77 3k1i s SER 91 Ca 0.00 -0.64 -0.19 0.00 0.70 0.00 0.00 55.95 55.82 3k1i s SER 91 Cb 0.00 -0.13 0.35 0.00 -1.71 0.00 0.00 66.02 64.53 3k1i s SER 91 CO 0.00 0.04 0.95 -2.84 1.20 0.00 0.00 173.24 172.59 3k1i s PRO 92 N -1.73 -2.42 0.00 5.44 0.02 -1.26 -1.89 135.00 133.17 3k1i s PRO 92 Ca 0.05 0.43 0.00 0.00 0.02 0.00 0.00 61.00 61.50 3k1i s PRO 92 Cb -0.10 -1.41 0.00 0.00 0.02 0.00 0.00 34.50 33.01 3k1i s PRO 92 CO 0.03 -4.61 0.00 1.28 -0.33 0.00 0.00 177.00 173.37 3k1i n LEU 93 N -5.49 0.03 -4.84 -5.54 4.77 -1.19 -4.62 117.00 100.11 3k1i n LEU 93 Ca 0.08 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.74 3k1i n LEU 93 Cb 0.58 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.61 3k1i n LEU 93 CO 0.49 0.00 0.52 -0.36 -1.33 0.00 0.00 177.39 176.71 3k1i s PHE 94 N -1.25 3.37 -1.51 -1.77 0.08 -1.26 -4.09 117.98 111.54 3k1i s PHE 94 Ca 0.00 1.35 -0.05 0.00 0.12 0.00 0.00 56.93 58.35 3k1i s PHE 94 Cb 0.00 -2.65 0.01 0.00 -0.57 0.00 0.00 43.02 39.81 3k1i s PHE 94 CO 0.00 -0.03 0.67 -0.25 -0.10 0.00 0.00 175.22 175.51 3k1i n ASP 95 N -0.66 -6.12 -3.75 1.36 8.00 -0.05 -4.94 116.55 110.41 3k1i n ASP 95 Ca 0.05 -0.31 -0.12 0.00 0.71 0.00 0.00 54.79 55.11 3k1i n ASP 95 Cb 0.54 -4.91 -0.13 0.00 -0.02 0.00 0.00 41.12 36.60 3k1i n ASP 95 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3k1i s THR 96 N -3.19 -0.03 -0.40 -3.53 2.01 -1.26 -5.03 115.64 104.21 3k1i s THR 96 Ca 0.33 0.10 -0.29 0.00 0.31 0.00 0.00 61.69 62.15 3k1i s THR 96 Cb -0.15 -0.37 0.02 0.00 0.01 0.00 0.00 72.50 72.01 3k1i s THR 96 CO 0.41 0.04 1.25 -1.58 -0.69 0.00 0.00 174.62 174.06 3k1i s GLN 97 N 0.92 3.75 -0.28 4.92 0.74 -1.26 -4.20 119.66 124.25 3k1i s GLN 97 Ca -0.07 0.88 -0.15 0.00 0.05 0.00 0.00 55.36 56.07 3k1i s GLN 97 Cb -0.08 -3.92 -0.03 0.00 1.10 0.00 0.00 33.01 30.08 3k1i s GLN 97 CO -0.06 -1.34 0.38 -0.51 -0.55 0.00 0.00 175.29 173.21 3k1i s LEU 98 N 4.68 4.10 0.12 3.68 1.43 -0.29 -4.91 118.68 127.48 3k1i s LEU 98 Ca 0.54 0.22 0.03 0.00 -1.03 0.00 0.00 54.13 53.89 3k1i s LEU 98 Cb -0.12 -2.43 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 3k1i s LEU 98 CO 0.29 -0.22 0.17 0.20 0.23 0.00 0.00 176.35 177.02 3k1i s ASN 99 N 1.66 5.87 -0.11 2.29 0.01 -1.26 -0.93 114.94 122.47 3k1i s ASN 99 Ca 0.15 0.04 -0.05 0.00 -0.71 0.00 0.00 52.86 52.29 3k1i s ASN 99 Cb -0.16 -1.66 0.05 0.00 0.41 0.00 0.00 41.25 39.89 3k1i s ASN 99 CO 0.10 0.11 0.26 -0.51 -1.51 0.00 0.00 177.10 175.55 3k1i s ILE 100 N -1.62 -0.08 -0.24 0.60 2.07 0.36 -4.85 121.20 117.45 3k1i s ILE 100 Ca 0.32 0.16 -0.13 0.00 -1.41 0.00 0.00 60.65 59.59 3k1i s ILE 100 Cb -0.11 -0.40 -0.05 0.00 0.13 0.00 0.00 42.46 42.03 3k1i s ILE 100 CO 0.25 0.07 0.26 0.00 -1.91 0.00 0.00 174.94 173.60 3k1i s ALA 101 N 1.39 3.58 -0.32 1.50 0.00 -1.26 0.24 121.76 126.88 3k1i s ALA 101 Ca -0.08 -0.82 -0.01 0.00 0.00 0.00 0.00 51.96 51.05 3k1i s ALA 101 Cb -0.10 -2.49 0.11 0.00 0.00 0.00 0.00 23.12 20.64 3k1i s ALA 101 CO -0.09 -0.35 0.13 0.42 0.00 0.00 0.00 175.76 175.88 3k1i s ILE 102 N 1.39 0.61 -0.87 0.00 1.01 0.16 -4.89 121.20 118.60 3k1i s ILE 102 Ca 0.11 -1.40 -0.04 0.00 0.00 0.00 0.00 60.65 59.33 3k1i s ILE 102 Cb -0.15 -1.46 -0.04 0.00 0.01 0.00 0.00 42.46 40.82 3k1i s ILE 102 CO 0.07 -0.75 0.76 0.59 0.00 0.00 0.00 174.94 175.61 3k1i n ASN 103 N 4.71 -4.79 0.00 3.58 3.02 -1.26 -3.11 115.26 117.41 3k1i n ASN 103 Ca -0.00 -0.55 0.00 0.00 -0.03 0.00 0.00 54.58 54.00 3k1i n ASN 103 Cb 0.41 -4.27 0.00 0.00 -0.61 0.00 0.00 39.78 35.30 3k1i n ASN 103 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3k1i n ASP 104 N -2.84 0.00 -4.81 6.41 10.43 -1.26 -4.97 116.55 119.50 3k1i n ASP 104 Ca -0.10 0.00 -0.36 0.00 2.57 0.00 0.00 54.79 56.90 3k1i n ASP 104 Cb 0.61 -0.07 -0.06 0.00 1.84 0.00 0.00 41.12 43.44 3k1i n ASP 104 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 3k1i s GLU 105 N 0.00 4.29 -0.21 -1.24 2.02 -1.18 -5.07 118.70 117.31 3k1i s GLU 105 Ca 0.00 0.95 -0.03 0.00 0.02 0.00 0.00 54.97 55.90 3k1i s GLU 105 Cb 0.00 -2.78 -0.01 0.00 0.10 0.00 0.00 34.13 31.44 3k1i s GLU 105 CO 0.00 0.32 -0.05 0.42 0.02 0.00 0.00 175.26 175.97 3k1i s ILE 106 N -1.63 3.37 -0.17 -1.63 1.01 -1.26 0.39 121.20 121.28 3k1i s ILE 106 Ca 0.47 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.62 3k1i s ILE 106 Cb -0.16 -2.52 0.01 0.00 0.01 0.00 0.00 42.46 39.81 3k1i s ILE 106 CO 0.21 0.44 -0.18 -0.36 0.00 0.00 0.00 174.94 175.05 3k1i s PHE 107 N 1.28 2.78 0.40 3.97 0.08 0.14 -4.93 117.98 121.70 3k1i s PHE 107 Ca 0.03 -1.42 0.08 0.00 0.12 0.00 0.00 56.93 55.74 3k1i s PHE 107 Cb -0.14 -1.92 -0.06 0.00 -0.57 0.00 0.00 43.02 40.32 3k1i s PHE 107 CO -0.02 -0.70 0.09 -1.12 -0.10 0.00 0.00 175.22 173.38 3k1i s SER 108 N 1.17 4.21 -0.22 1.36 0.01 -1.26 0.14 113.70 119.10 3k1i s SER 108 Ca 0.02 -1.15 -0.27 0.00 1.31 0.00 0.00 55.95 55.85 3k1i s SER 108 Cb -0.14 -0.47 0.12 0.00 0.21 0.00 0.00 66.02 65.75 3k1i s SER 108 CO -0.08 -0.45 1.00 0.00 0.41 0.00 0.00 173.24 174.12 3k1i s MET 109 N -3.81 0.56 -0.02 12.44 0.23 -0.10 -4.97 119.30 123.63 3k1i s MET 109 Ca 0.38 0.40 0.06 0.00 -1.03 0.00 0.00 55.69 55.51 3k1i s MET 109 Cb 0.05 0.27 -0.02 0.00 -1.53 0.00 0.00 34.83 33.60 3k1i s MET 109 CO 0.21 -0.12 -0.21 -1.50 -2.03 0.00 0.00 175.02 171.36 3k1i s ILE 110 N -0.37 1.68 -0.47 3.16 2.07 -1.26 -1.14 121.20 124.88 3k1i s ILE 110 Ca 0.01 -0.91 -0.04 0.00 -1.41 0.00 0.00 60.65 58.30 3k1i s ILE 110 Cb -0.03 -1.40 0.12 0.00 0.13 0.00 0.00 42.46 41.28 3k1i s ILE 110 CO -0.02 0.48 0.28 -0.69 -1.91 0.00 0.00 174.94 173.07 3k1i s VAL 111 N -0.47 3.57 0.59 4.00 1.01 -1.26 -4.99 120.40 122.84 3k1i s VAL 111 Ca 0.07 -2.18 -0.19 0.00 0.00 0.00 0.00 61.98 59.68 3k1i s VAL 111 Cb -0.08 -3.40 -0.05 0.00 0.00 0.00 0.00 36.38 32.85 3k1i s VAL 111 CO -0.01 -0.75 1.00 0.52 0.00 0.00 0.00 175.10 175.87 3k1i n VAL 112 N 4.44 3.68 -1.48 2.92 0.31 -1.26 -0.87 118.33 126.06 3k1i n VAL 112 Ca -0.01 -0.50 -0.45 0.00 -0.01 0.00 0.00 64.34 63.37 3k1i n VAL 112 Cb 0.41 -1.19 -0.08 0.00 -0.91 0.00 0.00 33.84 32.07 3k1i n VAL 112 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3k1i n ASN 113 N -0.75 1.76 0.00 4.52 2.85 -1.26 -4.74 115.26 117.65 3k1i n ASN 113 Ca 0.13 0.11 0.07 0.00 -0.11 0.00 0.00 54.58 54.78 3k1i n ASN 113 Cb 0.47 -1.27 0.41 0.00 1.24 0.00 0.00 39.78 40.62 3k1i n ASN 113 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3k1i n PRO 114 N 8.48 0.51 0.02 1.20 -0.04 -1.26 -2.87 135.00 141.04 3k1i n PRO 114 Ca 0.46 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 64.05 3k1i n PRO 114 Cb 0.27 -1.42 0.58 0.00 -0.04 0.00 0.00 33.50 32.89 3k1i n PRO 114 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3k1i n LEU 115 N -0.92 0.15 0.20 1.53 4.77 -1.26 -2.93 117.00 118.54 3k1i n LEU 115 Ca 0.10 0.51 0.05 0.00 -0.03 0.00 0.00 56.01 56.65 3k1i n LEU 115 Cb 0.05 -0.47 0.43 0.00 -2.33 0.00 0.00 43.42 41.10 3k1i n LEU 115 CO 0.08 -0.04 0.78 0.44 -1.33 0.00 0.00 177.39 177.32 3k1i h ASP 116 N 0.00 0.00 -1.12 -1.43 3.32 -1.93 -3.22 116.42 112.03 3k1i h ASP 116 Ca 0.00 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.43 3k1i h ASP 116 Cb 0.54 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 39.73 3k1i h ASP 116 CO 0.00 0.31 -0.05 0.00 -1.72 0.00 0.00 179.24 177.78 3k1i n LEU 117 N -3.97 6.06 0.08 1.55 -0.00 -1.15 -4.71 117.00 114.87 3k1i n LEU 117 Ca -0.02 -4.71 -0.08 0.00 -0.00 0.00 0.00 56.01 51.21 3k1i n LEU 117 Cb 0.37 -0.65 0.03 0.00 -0.00 0.00 0.00 43.42 43.17 3k1i n LEU 117 CO 0.37 1.90 0.31 -0.07 -0.00 0.00 0.00 177.39 179.90 3k1i h LEU 118 N 2.30 0.27 -0.07 1.47 3.38 -1.72 -3.35 115.31 117.60 3k1i h LEU 118 Ca 0.46 -0.20 -0.15 0.00 0.09 0.00 0.00 57.88 58.08 3k1i h LEU 118 Cb 1.01 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.69 3k1i h LEU 118 CO 1.11 0.96 -0.54 -0.33 0.09 0.00 0.00 178.44 179.74 3k1i h GLU 119 N 0.13 0.49 -3.42 1.13 4.39 -1.89 -3.25 114.58 112.17 3k1i h GLU 119 Ca -0.03 -0.43 -0.71 0.00 0.34 0.00 0.00 59.36 58.52 3k1i h GLU 119 Cb 1.39 0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 30.09 3k1i h GLU 119 CO 0.12 1.07 3.01 -1.71 -1.16 0.00 0.00 179.01 180.34 3k1i n ASN 120 N -4.22 6.08 0.02 1.42 2.85 -1.26 -4.80 115.26 115.35 3k1i n ASN 120 Ca -0.09 -2.87 0.01 0.00 -0.11 0.00 0.00 54.58 51.52 3k1i n ASN 120 Cb 0.62 -1.55 0.04 0.00 1.24 0.00 0.00 39.78 40.13 3k1i n ASN 120 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 3k1i n VAL 121 N 3.82 0.94 -0.06 3.44 0.31 -1.23 -0.65 118.33 124.90 3k1i n VAL 121 Ca 0.58 0.53 -0.20 0.00 -0.01 0.00 0.00 64.34 65.25 3k1i n VAL 121 Cb 0.32 -1.53 -0.13 0.00 -0.91 0.00 0.00 33.84 31.59 3k1i n VAL 121 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3k1i h GLY 122 N 0.00 0.10 2.00 2.92 0.00 -1.88 -2.87 103.07 103.34 3k1i h GLY 122 Ca 0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 3k1i h GLY 122 CO 0.00 0.22 -0.01 0.83 0.00 0.00 0.00 176.54 177.59 3k1i h GLU 123 N -0.74 0.00 0.03 4.80 5.08 -1.22 -3.03 114.58 119.50 3k1i h GLU 123 Ca -0.25 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3k1i h GLU 123 Cb 1.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.65 3k1i h GLU 123 CO -0.07 0.01 -0.02 0.35 -1.00 0.00 0.00 179.01 178.29 3k1i h PHE 124 N 0.00 -0.04 -0.41 4.33 3.57 -1.57 -2.97 116.94 119.85 3k1i h PHE 124 Ca -0.00 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 3k1i h PHE 124 Cb 0.05 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 3k1i h PHE 124 CO 0.00 0.38 0.13 1.96 -2.23 0.00 0.00 178.31 178.55 3k1i h GLN 125 N -0.99 0.59 -0.24 1.11 4.20 -1.54 -2.68 115.11 115.55 3k1i h GLN 125 Ca -0.00 -0.09 -0.14 0.00 0.06 0.00 0.00 58.65 58.48 3k1i h GLN 125 Cb 0.44 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 3k1i h GLN 125 CO 0.01 0.51 -0.44 0.00 -0.67 0.00 0.00 178.83 178.24 3k1i h ALA 126 N 1.57 0.78 -0.24 3.87 0.00 -1.67 -2.00 119.26 121.58 3k1i h ALA 126 Ca 0.14 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 3k1i h ALA 126 Cb 0.16 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3k1i h ALA 126 CO -0.01 0.66 0.00 -0.92 0.00 0.00 0.00 179.25 178.98 3k1i h TYR 127 N 0.48 0.46 0.16 0.00 3.20 -1.33 -1.07 116.97 118.87 3k1i h TYR 127 Ca 0.03 -0.08 0.02 0.00 3.14 0.00 0.00 58.73 61.84 3k1i h TYR 127 Cb 0.96 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 39.07 3k1i h TYR 127 CO 0.04 0.59 -0.38 -0.07 -1.64 0.00 0.00 178.16 176.70 3k1i h LEU 128 N 0.20 -1.10 -1.32 2.82 3.38 -1.47 0.70 115.31 118.53 3k1i h LEU 128 Ca 0.07 0.12 0.11 0.00 0.09 0.00 0.00 57.88 58.27 3k1i h LEU 128 Cb 0.41 0.41 -0.06 0.00 0.09 0.00 0.00 40.66 41.50 3k1i h LEU 128 CO 0.01 -0.47 0.54 -0.08 0.09 0.00 0.00 178.44 178.53 3k1i h GLU 129 N -0.64 0.71 -0.07 1.13 4.81 -1.30 2.09 114.58 121.32 3k1i h GLU 129 Ca 0.02 -0.04 -0.24 0.00 -0.13 0.00 0.00 59.36 58.97 3k1i h GLU 129 Cb 0.65 -0.16 0.02 0.00 0.63 0.00 0.00 28.75 29.88 3k1i h GLU 129 CO -0.20 0.47 -0.89 1.05 -0.73 0.00 0.00 179.01 178.72 3k1i h GLU 130 N 0.74 0.72 -0.35 1.92 4.11 -0.93 -2.24 114.58 118.55 3k1i h GLU 130 Ca 0.39 -0.68 -0.17 0.00 0.07 0.00 0.00 59.36 58.97 3k1i h GLU 130 Cb 0.52 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 3k1i h GLU 130 CO -0.16 1.28 -0.43 0.87 0.07 0.00 0.00 179.01 180.63 3k1i h LYS 131 N 0.41 0.91 -0.32 1.06 1.79 0.20 -1.51 116.57 119.10 3k1i h LYS 131 Ca -0.09 -0.51 0.09 0.00 -2.18 0.00 0.00 60.65 57.96 3k1i h LYS 131 Cb 1.53 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 32.21 3k1i h LYS 131 CO 0.18 1.16 0.23 1.25 -1.08 0.00 0.00 179.45 181.19 3k1i h LEU 132 N 0.71 0.00 0.12 2.94 5.85 0.33 -1.76 115.31 123.50 3k1i h LEU 132 Ca 0.04 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.45 3k1i h LEU 132 Cb 1.03 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 3k1i h LEU 132 CO 0.10 0.00 -1.58 0.78 -0.34 0.00 0.00 178.44 177.40 3k1i h ASN 133 N 0.00 0.39 -0.44 1.25 4.21 -1.14 -3.05 115.58 116.79 3k1i h ASN 133 Ca 0.15 -0.56 0.07 0.00 1.21 0.00 0.00 56.30 57.16 3k1i h ASN 133 Cb 0.61 -0.13 -0.06 0.00 -1.12 0.00 0.00 38.32 37.63 3k1i h ASN 133 CO -0.00 1.47 0.10 -0.33 -1.29 0.00 0.00 177.43 177.38 3k1i h GLU 134 N 0.07 0.23 0.22 0.81 5.08 -0.84 -1.45 114.58 118.71 3k1i h GLU 134 Ca -0.26 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.09 3k1i h GLU 134 Cb 2.02 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 31.18 3k1i h GLU 134 CO 0.15 0.15 -0.41 0.82 -1.00 0.00 0.00 179.01 178.72 3k1i h ILE 135 N 0.24 0.17 -0.49 3.13 2.04 -1.41 -0.80 117.51 120.38 3k1i h ILE 135 Ca 0.21 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.18 3k1i h ILE 135 Cb 0.26 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.48 3k1i h ILE 135 CO -0.27 0.00 0.34 0.50 0.00 0.00 0.00 178.15 178.72 3k1i h LYS 136 N -0.72 0.21 0.10 2.37 3.64 -1.39 0.32 116.57 121.10 3k1i h LYS 136 Ca 0.00 -0.01 -0.27 0.00 -1.27 0.00 0.00 60.65 59.10 3k1i h LYS 136 Cb 0.70 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.48 3k1i h LYS 136 CO -0.18 0.14 -1.17 0.93 -2.27 0.00 0.00 179.45 176.90 3k1i h GLU 137 N 0.21 0.38 -0.07 1.90 4.39 -0.92 0.04 114.58 120.51 3k1i h GLU 137 Ca 0.23 -0.54 -0.23 0.00 0.34 0.00 0.00 59.36 59.16 3k1i h GLU 137 Cb 0.62 0.18 0.01 0.00 -0.10 0.00 0.00 28.75 29.47 3k1i h GLU 137 CO -0.04 1.22 -0.84 1.25 -1.16 0.00 0.00 179.01 179.44 3k1i h LEU 138 N 0.15 0.86 -0.05 1.33 5.85 -0.23 -0.40 115.31 122.82 3k1i h LEU 138 Ca -0.13 -0.69 -0.00 0.00 0.84 0.00 0.00 57.88 57.89 3k1i h LEU 138 Cb 1.86 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 42.62 3k1i h LEU 138 CO 0.20 1.43 0.01 -0.07 -0.34 0.00 0.00 178.44 179.67 3k1i h LEU 139 N 0.38 0.08 -1.35 2.25 3.38 -1.03 -2.77 115.31 116.25 3k1i h LEU 139 Ca -0.09 -0.22 0.12 0.00 0.09 0.00 0.00 57.88 57.78 3k1i h LEU 139 Cb 1.49 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 42.16 3k1i h LEU 139 CO 0.17 0.28 0.54 1.23 0.09 0.00 0.00 178.44 180.75 3k1i h GLY 140 N -0.13 1.07 0.95 0.83 0.00 -0.90 -2.47 103.07 102.42 3k1i h GLY 140 Ca 0.02 -0.28 -0.07 0.00 0.00 0.00 0.00 47.33 46.99 3k1i h GLY 140 CO 0.00 0.12 -0.04 -1.82 0.00 0.00 0.00 176.54 174.80 3k1i h TYR 141 N 0.67 0.78 -0.53 5.60 3.20 -0.80 -2.86 116.97 123.03 3k1i h TYR 141 Ca 0.40 -0.15 -0.03 0.00 3.14 0.00 0.00 58.73 62.09 3k1i h TYR 141 Cb 0.62 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.66 3k1i h TYR 141 CO -0.00 0.82 0.21 1.25 -1.64 0.00 0.00 178.16 178.80 3k1i h LEU 142 N 0.52 0.74 -1.26 2.82 5.85 -1.25 -3.12 115.31 119.62 3k1i h LEU 142 Ca 0.10 -0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.60 3k1i h LEU 142 Cb 0.54 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 3k1i h LEU 142 CO 0.03 0.71 -0.26 0.77 -0.34 0.00 0.00 178.44 179.34 3k1i h SER 143 N 0.72 0.00 -0.43 1.25 4.64 -1.37 -2.47 113.55 115.90 3k1i h SER 143 Ca 0.18 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.41 3k1i h SER 143 Cb 0.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 3k1i h SER 143 CO -0.01 0.26 -0.08 -0.33 -0.87 0.00 0.00 176.83 175.80 3k1i h GLU 144 N 0.00 0.81 0.00 4.77 5.08 -1.49 -3.09 114.58 120.66 3k1i h GLU 144 Ca -0.00 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 58.03 3k1i h GLU 144 Cb 0.69 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 3k1i h GLU 144 CO 0.03 0.91 -0.17 0.77 -1.00 0.00 0.00 179.01 179.56 3k1i h SER 145 N 0.64 0.00 0.00 1.42 0.02 -1.39 -3.52 113.55 110.71 3k1i h SER 145 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3k1i h SER 145 Cb 0.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.14 3k1i h SER 145 CO 0.04 0.17 0.00 0.18 -1.14 0.00 0.00 176.83 176.07