#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k54 n ASN 2 N 0.00 0.00 -0.17 7.83 6.94 -1.26 -4.89 115.26 123.71 2k54 n ASN 2 Ca 0.00 -0.77 -0.04 0.00 -0.02 0.00 0.00 54.58 53.75 2k54 n ASN 2 Cb 0.00 0.00 0.16 0.00 -2.36 0.00 0.00 39.78 37.58 2k54 n ASN 2 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 2k54 h SER 3 N 0.00 0.86 -0.35 0.53 4.64 -1.99 -1.83 113.55 115.41 2k54 h SER 3 Ca 0.00 -0.15 0.10 0.00 -0.47 0.00 0.00 61.79 61.27 2k54 h SER 3 Cb 0.38 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 2k54 h SER 3 CO 0.00 0.83 0.29 1.05 -0.87 0.00 0.00 176.83 178.12 2k54 h GLU 4 N 0.89 0.00 0.00 4.77 4.11 -1.98 -1.24 114.58 121.13 2k54 h GLU 4 Ca 0.20 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.40 2k54 h GLU 4 Cb 0.29 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 2k54 h GLU 4 CO -0.00 0.00 -1.53 0.82 0.07 0.00 0.00 179.01 178.36 2k54 h ILE 5 N 0.00 0.69 0.00 -1.06 1.08 -1.71 -3.30 117.51 113.22 2k54 h ILE 5 Ca 0.17 -2.36 -0.06 0.00 -0.39 0.00 0.00 64.86 62.22 2k54 h ILE 5 Cb 0.74 2.24 -0.01 0.00 -3.07 0.00 0.00 36.82 36.72 2k54 h ILE 5 CO -0.00 0.39 -0.27 -0.33 -0.69 0.00 0.00 178.15 177.25 2k54 h GLU 6 N 0.00 0.00 0.05 2.37 5.08 -0.68 -3.34 114.58 118.06 2k54 h GLU 6 Ca -0.22 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2k54 h GLU 6 Cb 1.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.04 2k54 h GLU 6 CO 0.06 0.27 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.25 2k54 h LEU 7 N 0.00 -0.06 0.59 1.33 3.38 -1.34 -0.32 115.31 118.89 2k54 h LEU 7 Ca -0.00 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 2k54 h LEU 7 Cb 0.88 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 2k54 h LEU 7 CO 0.04 0.13 -0.49 1.55 0.09 0.00 0.00 178.44 179.76 2k54 h PRO 8 N -0.25 -1.01 -0.51 1.13 0.13 -1.75 -2.89 132.00 126.85 2k54 h PRO 8 Ca -0.01 0.07 0.10 0.00 -0.87 0.00 0.00 66.00 65.29 2k54 h PRO 8 Cb 0.22 0.23 -0.09 0.00 0.13 0.00 0.00 31.00 31.50 2k54 h PRO 8 CO 0.01 -0.67 -0.04 0.28 -0.23 0.00 0.00 178.00 177.35 2k54 h VAL 9 N -1.05 0.57 0.19 1.56 2.07 -1.67 -1.18 116.25 116.74 2k54 h VAL 9 Ca -0.08 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 2k54 h VAL 9 Cb 0.88 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 2k54 h VAL 9 CO -0.01 0.01 -0.09 -0.61 0.02 0.00 0.00 177.57 176.90 2k54 h GLN 10 N 0.08 -0.25 -0.56 1.57 -0.00 -1.12 -0.12 115.11 114.72 2k54 h GLN 10 Ca 0.25 0.02 -0.05 0.00 -0.00 0.00 0.00 58.65 58.87 2k54 h GLN 10 Cb 0.39 0.06 -0.03 0.00 0.00 0.00 0.00 27.48 27.90 2k54 h GLN 10 CO -0.45 -0.04 0.16 0.87 0.00 0.00 0.00 178.83 179.36 2k54 h LYS 11 N -0.41 0.85 -0.39 1.69 1.79 -1.26 -2.26 116.57 116.58 2k54 h LYS 11 Ca -0.03 -0.17 -0.13 0.00 -2.18 0.00 0.00 60.65 58.15 2k54 h LYS 11 Cb 0.32 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 2k54 h LYS 11 CO 0.04 0.75 -0.26 1.96 -1.08 0.00 0.00 179.45 180.87 2k54 h GLN 12 N 0.83 0.82 0.08 3.15 4.20 -1.14 -2.79 115.11 120.26 2k54 h GLN 12 Ca 0.18 -0.35 -0.00 0.00 0.06 0.00 0.00 58.65 58.54 2k54 h GLN 12 Cb 0.27 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.03 2k54 h GLN 12 CO -0.01 0.98 -0.04 1.25 -0.67 0.00 0.00 178.83 180.35 2k54 h LEU 13 N 0.70 -0.09 -0.44 1.46 5.85 -0.44 0.25 115.31 122.60 2k54 h LEU 13 Ca 0.09 -0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.76 2k54 h LEU 13 Cb 0.79 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.79 2k54 h LEU 13 CO 0.07 0.06 0.14 -0.33 -0.34 0.00 0.00 178.44 178.03 2k54 h GLU 14 N -0.23 0.28 0.00 1.25 4.39 -1.54 -2.41 114.58 116.33 2k54 h GLU 14 Ca -0.01 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.62 2k54 h GLU 14 Cb 0.19 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 2k54 h GLU 14 CO 0.02 0.19 -0.27 0.00 -1.16 0.00 0.00 179.01 177.78 2k54 h ALA 15 N 1.31 1.43 -0.09 3.43 0.00 -1.18 -1.97 119.26 122.18 2k54 h ALA 15 Ca 0.21 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2k54 h ALA 15 Cb 0.23 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2k54 h ALA 15 CO -0.24 0.34 -0.02 -0.92 0.00 0.00 0.00 179.25 178.41 2k54 h TYR 16 N 0.00 0.20 0.00 0.00 3.20 0.01 0.90 116.97 121.28 2k54 h TYR 16 Ca -0.00 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.82 2k54 h TYR 16 Cb 0.52 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.74 2k54 h TYR 16 CO 0.00 0.50 -0.27 0.27 -1.64 0.00 0.00 178.16 177.01 2k54 n ASN 17 N -4.78 0.75 -0.39 -2.11 0.23 -1.19 -3.30 115.26 104.47 2k54 n ASN 17 Ca -0.06 0.37 0.14 0.00 -0.53 0.00 0.00 54.58 54.49 2k54 n ASN 17 Cb 0.24 -0.37 0.59 0.00 -2.08 0.00 0.00 39.78 38.16 2k54 n ASN 17 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2k54 n ALA 18 N -1.79 2.59 -2.02 -2.53 0.00 -0.74 -4.92 120.51 111.09 2k54 n ALA 18 Ca 0.05 -0.40 -0.18 0.00 0.00 0.00 0.00 53.44 52.90 2k54 n ALA 18 Cb 0.43 -1.23 -0.04 0.00 0.00 0.00 0.00 19.45 18.62 2k54 n ALA 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2k54 n ARG 19 N -0.05 -1.38 -3.32 0.00 5.12 -0.91 -4.98 116.66 111.15 2k54 n ARG 19 Ca 0.20 0.98 -0.43 0.00 -1.93 0.00 0.00 57.85 56.67 2k54 n ARG 19 Cb 0.30 -5.40 -0.09 0.00 -1.16 0.00 0.00 32.46 26.12 2k54 n ARG 19 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2k54 s ASP 20 N -2.43 6.20 0.15 0.55 2.15 0.26 -4.94 116.67 118.61 2k54 s ASP 20 Ca 0.00 -0.61 0.02 0.00 0.43 0.00 0.00 52.55 52.39 2k54 s ASP 20 Cb 0.00 -2.23 -0.06 0.00 -0.30 0.00 0.00 42.92 40.33 2k54 s ASP 20 CO 0.00 -0.57 1.34 0.40 -0.17 0.00 0.00 175.17 176.17 2k54 h ILE 21 N 5.72 1.51 -0.18 4.11 1.08 -1.94 -3.21 117.51 124.60 2k54 h ILE 21 Ca -0.27 -2.73 0.02 0.00 -0.39 0.00 0.00 64.86 61.49 2k54 h ILE 21 Cb 1.11 2.55 -0.02 0.00 -3.07 0.00 0.00 36.82 37.39 2k54 h ILE 21 CO 0.79 0.80 0.04 -0.78 -0.69 0.00 0.00 178.15 178.31 2k54 h ASP 22 N 0.10 0.03 0.44 1.72 3.58 -1.95 0.17 116.42 120.50 2k54 h ASP 22 Ca -0.05 0.02 -0.31 0.00 0.42 0.00 0.00 57.03 57.12 2k54 h ASP 22 Cb 1.58 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 42.65 2k54 h ASP 22 CO 0.14 0.04 -1.56 0.00 -2.88 0.00 0.00 179.24 174.99 2k54 h ALA 23 N 1.12 0.31 0.00 -0.78 0.00 -1.92 -1.49 119.26 116.49 2k54 h ALA 23 Ca 0.08 -1.14 0.00 0.00 0.00 0.00 0.00 54.91 53.85 2k54 h ALA 23 Cb 0.07 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2k54 h ALA 23 CO -0.10 1.17 0.00 0.34 0.00 0.00 0.00 179.25 180.66 2k54 n PHE 24 N -3.43 0.67 0.00 0.00 7.35 -1.02 -2.69 117.46 118.34 2k54 n PHE 24 Ca -0.17 0.32 0.00 0.00 -0.76 0.00 0.00 57.45 56.84 2k54 n PHE 24 Cb 1.04 -1.01 0.00 0.00 0.35 0.00 0.00 39.48 39.86 2k54 n PHE 24 CO 0.00 0.00 0.00 -1.33 -0.76 0.00 0.00 176.76 174.67 2k54 n MET 25 N -2.16 3.88 -0.15 -4.13 2.81 0.55 -4.78 117.12 113.15 2k54 n MET 25 Ca -0.00 0.00 0.01 0.00 -1.81 0.00 0.00 57.70 55.89 2k54 n MET 25 Cb 0.09 -0.70 0.28 0.00 -0.71 0.00 0.00 33.22 32.17 2k54 n MET 25 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2k54 h ALA 26 N 0.00 1.47 -0.46 3.04 0.00 -1.05 -2.93 119.26 119.33 2k54 h ALA 26 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2k54 h ALA 26 Cb 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2k54 h ALA 26 CO 0.00 0.45 0.00 0.91 0.00 0.00 0.00 179.25 180.61 2k54 n TRP 27 N -4.40 0.98 -3.87 0.00 7.02 -1.25 -4.87 117.44 111.04 2k54 n TRP 27 Ca 0.06 -0.40 -0.29 0.00 -1.02 0.00 0.00 57.50 55.85 2k54 n TRP 27 Cb 0.08 -0.15 -0.04 0.00 -2.42 0.00 0.00 31.31 28.78 2k54 n TRP 27 CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 2k54 s TRP 28 N -1.68 3.50 0.53 -5.99 0.52 -1.11 -1.68 118.94 113.03 2k54 s TRP 28 Ca 0.35 0.24 -0.16 0.00 0.02 0.00 0.00 56.10 56.55 2k54 s TRP 28 Cb 0.22 -1.76 -0.07 0.00 -1.15 0.00 0.00 33.47 30.71 2k54 s TRP 28 CO 0.18 0.52 1.00 0.00 0.02 0.00 0.00 176.95 178.67 2k54 s ALA 29 N -1.66 3.01 0.42 0.98 0.00 -0.48 -4.66 121.76 119.37 2k54 s ALA 29 Ca 0.36 0.22 0.10 0.00 0.00 0.00 0.00 51.96 52.64 2k54 s ALA 29 Cb -0.12 -3.14 0.90 0.00 0.00 0.00 0.00 23.12 20.77 2k54 s ALA 29 CO 0.28 -0.35 2.00 0.22 0.00 0.00 0.00 175.76 177.91 2k54 h ASP 30 N 0.82 0.23 -0.60 0.00 3.58 -1.98 -2.25 116.42 116.22 2k54 h ASP 30 Ca -0.47 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 56.95 2k54 h ASP 30 Cb 1.19 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.18 2k54 h ASP 30 CO 0.61 0.29 0.00 0.47 -2.88 0.00 0.00 179.24 177.73 2k54 n ASP 31 N -4.38 5.28 -4.65 2.28 8.00 -1.26 -1.96 116.55 119.86 2k54 n ASP 31 Ca -0.00 -2.72 -0.42 0.00 0.71 0.00 0.00 54.79 52.35 2k54 n ASP 31 Cb 0.18 -0.64 -0.03 0.00 -0.02 0.00 0.00 41.12 40.61 2k54 n ASP 31 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k54 s GLN 33 N 4.56 3.73 -0.17 0.00 -1.52 -0.80 -0.46 119.66 125.00 2k54 s GLN 33 Ca 0.81 1.07 -0.05 0.00 -1.95 0.00 0.00 55.36 55.25 2k54 s GLN 33 Cb -0.35 -2.10 0.06 0.00 -0.22 0.00 0.00 33.01 30.40 2k54 s GLN 33 CO 0.34 -0.46 0.08 -0.47 -0.25 0.00 0.00 175.29 174.53 2k54 s TYR 34 N -2.51 0.28 -0.07 0.91 5.04 0.10 -0.98 117.35 120.12 2k54 s TYR 34 Ca 0.61 -0.35 0.02 0.00 -2.44 0.00 0.00 57.07 54.92 2k54 s TYR 34 Cb -0.12 -0.72 -0.02 0.00 0.35 0.00 0.00 41.96 41.44 2k54 s TYR 34 CO 0.32 -0.51 -0.13 0.71 -1.34 0.00 0.00 175.55 174.60 2k54 s TYR 35 N 2.11 2.77 0.30 4.97 1.51 -0.40 -1.70 117.35 126.90 2k54 s TYR 35 Ca 0.02 -0.20 -0.05 0.00 -1.01 0.00 0.00 57.07 55.83 2k54 s TYR 35 Cb -0.16 -1.68 -0.05 0.00 -0.11 0.00 0.00 41.96 39.96 2k54 s TYR 35 CO -0.09 0.15 0.56 0.00 -1.11 0.00 0.00 175.55 175.06 2k54 s ALA 36 N -0.57 3.62 0.11 3.71 0.00 -0.38 -2.45 121.76 125.80 2k54 s ALA 36 Ca 0.08 -0.57 -0.36 0.00 0.00 0.00 0.00 51.96 51.11 2k54 s ALA 36 Cb -0.12 -2.30 -0.16 0.00 0.00 0.00 0.00 23.12 20.54 2k54 s ALA 36 CO 0.01 0.22 1.40 1.97 0.00 0.00 0.00 175.76 179.37 2k54 n PHE 37 N -0.99 1.71 0.11 0.00 -1.74 -0.61 -0.50 117.46 115.45 2k54 n PHE 37 Ca -0.02 0.54 -0.18 0.00 -0.56 0.00 0.00 57.45 57.23 2k54 n PHE 37 Cb 0.54 -2.39 -0.15 0.00 1.52 0.00 0.00 39.48 39.01 2k54 n PHE 37 CO 0.00 0.00 0.00 -1.00 -0.56 0.00 0.00 176.76 175.20 2k54 h PRO 38 N 4.90 0.34 -1.03 3.97 0.13 -1.97 -3.43 132.00 134.91 2k54 h PRO 38 Ca -0.47 -0.58 -0.03 0.00 -0.87 0.00 0.00 66.00 64.05 2k54 h PRO 38 Cb 1.31 0.22 -0.20 0.00 0.13 0.00 0.00 31.00 32.46 2k54 h PRO 38 CO 0.80 1.27 -0.43 0.00 -0.23 0.00 0.00 178.00 179.42 2k54 s ALA 39 N -2.64 -2.33 -0.29 -0.56 0.00 -0.48 -4.99 121.76 110.47 2k54 s ALA 39 Ca -0.06 0.56 -0.00 0.00 0.00 0.00 0.00 51.96 52.46 2k54 s ALA 39 Cb 0.06 -2.63 0.09 0.00 0.00 0.00 0.00 23.12 20.65 2k54 s ALA 39 CO 0.90 -2.04 0.07 0.99 0.00 0.00 0.00 175.76 175.68 2k54 s THR 40 N 2.28 1.07 -0.63 0.00 2.01 0.35 -4.87 115.64 115.85 2k54 s THR 40 Ca 0.13 -1.38 -0.27 0.00 0.31 0.00 0.00 61.69 60.48 2k54 s THR 40 Cb -0.07 -1.72 -0.00 0.00 0.01 0.00 0.00 72.50 70.71 2k54 s THR 40 CO -0.16 -0.54 1.66 -0.22 -0.69 0.00 0.00 174.62 174.67 2k54 s LEU 41 N 1.54 3.27 0.03 4.42 2.96 -1.26 -1.24 118.68 128.40 2k54 s LEU 41 Ca 0.07 0.16 -0.01 0.00 -0.22 0.00 0.00 54.13 54.13 2k54 s LEU 41 Cb -0.18 -2.63 -0.26 0.00 0.50 0.00 0.00 46.19 43.62 2k54 s LEU 41 CO -0.19 -2.14 0.95 -0.07 -1.32 0.00 0.00 176.35 173.58 2k54 h LEU 42 N 15.09 0.31 -7.06 -0.68 -0.00 -1.71 -3.46 115.31 117.79 2k54 h LEU 42 Ca -0.27 -0.40 -0.24 0.00 -0.00 0.00 0.00 57.88 56.96 2k54 h LEU 42 Cb 1.13 -0.10 -0.33 0.00 -0.00 0.00 0.00 40.66 41.35 2k54 h LEU 42 CO 1.22 1.33 -0.56 0.00 -0.00 0.00 0.00 178.44 180.43 2k54 s ALA 43 N -2.64 -0.48 -0.64 1.53 0.00 -1.22 -4.97 121.76 113.35 2k54 s ALA 43 Ca -0.06 0.73 0.01 0.00 0.00 0.00 0.00 51.96 52.63 2k54 s ALA 43 Cb 0.07 -1.11 0.40 0.00 0.00 0.00 0.00 23.12 22.48 2k54 s ALA 43 CO 0.85 -0.81 1.70 0.41 0.00 0.00 0.00 175.76 177.90 2k54 n GLY 44 N 5.34 5.83 0.00 0.00 0.00 -1.26 0.01 105.19 115.11 2k54 n GLY 44 Ca -0.06 -2.54 0.00 0.00 0.00 0.00 0.00 46.02 43.42 2k54 n GLY 44 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k54 n ASN 45 N -0.63 0.00 0.26 1.61 0.23 0.40 -4.72 115.26 112.41 2k54 n ASN 45 Ca 0.51 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.67 2k54 n ASN 45 Cb 0.52 0.00 0.71 0.00 -2.08 0.00 0.00 39.78 38.93 2k54 n ASN 45 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2k54 h ALA 46 N 0.00 1.45 0.13 -2.53 0.00 -1.47 -3.03 119.26 113.80 2k54 h ALA 46 Ca 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2k54 h ALA 46 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2k54 h ALA 46 CO 0.00 0.14 -0.06 0.00 0.00 0.00 0.00 179.25 179.33 2k54 h ALA 47 N 1.89 -0.17 -0.16 0.00 0.00 -1.91 -0.51 119.26 118.39 2k54 h ALA 47 Ca -0.00 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 2k54 h ALA 47 Cb 0.26 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2k54 h ALA 47 CO 0.01 -0.54 -0.36 0.93 0.00 0.00 0.00 179.25 179.30 2k54 h GLU 48 N -0.28 0.34 -0.29 0.00 5.08 -1.93 -2.65 114.58 114.84 2k54 h GLU 48 Ca -0.02 -0.15 -0.10 0.00 -1.00 0.00 0.00 59.36 58.09 2k54 h GLU 48 Cb 0.23 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2k54 h GLU 48 CO 0.03 0.66 -0.22 0.82 -1.00 0.00 0.00 179.01 179.30 2k54 h ILE 49 N 0.29 1.30 -0.18 3.13 2.04 -1.44 -3.02 117.51 119.63 2k54 h ILE 49 Ca 0.03 -1.37 -0.08 0.00 1.00 0.00 0.00 64.86 64.45 2k54 h ILE 49 Cb 0.77 1.54 -0.00 0.00 -0.74 0.00 0.00 36.82 38.39 2k54 h ILE 49 CO 0.06 0.44 -0.19 0.08 0.00 0.00 0.00 178.15 178.54 2k54 h ARG 50 N 0.41 0.46 -0.22 2.37 0.11 -0.97 -2.20 114.38 114.34 2k54 h ARG 50 Ca 0.05 -0.24 -0.12 0.00 0.10 0.00 0.00 59.98 59.77 2k54 h ARG 50 Cb 0.77 0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.85 2k54 h ARG 50 CO 0.06 0.82 -0.37 -0.39 0.10 0.00 0.00 179.97 180.18 2k54 h VAL 51 N 0.11 1.30 -0.28 0.08 -1.51 -1.58 -1.80 116.25 112.58 2k54 h VAL 51 Ca 0.03 -1.50 -0.19 0.00 -1.23 0.00 0.00 66.70 63.81 2k54 h VAL 51 Cb 0.73 1.53 0.00 0.00 -2.13 0.00 0.00 31.29 31.43 2k54 h VAL 51 CO 0.05 0.47 -0.56 -0.09 -1.23 0.00 0.00 177.57 176.21 2k54 h ARG 52 N 0.41 0.88 -0.24 5.19 2.43 -1.56 -3.16 114.38 118.33 2k54 h ARG 52 Ca 0.04 -0.57 -0.06 0.00 -0.81 0.00 0.00 59.98 58.59 2k54 h ARG 52 Cb 0.84 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.45 2k54 h ARG 52 CO 0.07 1.20 -0.10 0.45 -1.51 0.00 0.00 179.97 180.08 2k54 h HIS 53 N 0.66 0.40 -0.36 2.20 3.86 -1.07 -1.91 115.15 118.93 2k54 h HIS 53 Ca 0.01 -0.05 0.03 0.00 -1.16 0.00 0.00 60.37 59.20 2k54 h HIS 53 Cb 1.17 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 29.50 2k54 h HIS 53 CO 0.07 0.48 0.18 0.82 0.86 0.00 0.00 177.93 180.34 2k54 h ILE 54 N 0.36 0.98 -0.18 2.45 2.04 -1.30 -0.43 117.51 121.42 2k54 h ILE 54 Ca 0.07 -0.12 -0.09 0.00 1.00 0.00 0.00 64.86 65.72 2k54 h ILE 54 Cb 0.40 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 2k54 h ILE 54 CO 0.02 0.07 -0.28 -0.33 0.00 0.00 0.00 178.15 177.63 2k54 h GLU 55 N 0.36 0.35 -0.29 2.37 5.08 -1.50 -2.45 114.58 118.50 2k54 h GLU 55 Ca 0.15 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 2k54 h GLU 55 Cb 0.07 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2k54 h GLU 55 CO -0.11 0.60 -0.20 -0.09 -1.00 0.00 0.00 179.01 178.21 2k54 h ARG 56 N 0.31 0.54 0.00 2.33 9.65 -0.91 -2.90 114.38 123.40 2k54 h ARG 56 Ca 0.04 -0.19 0.00 0.00 -1.10 0.00 0.00 59.98 58.74 2k54 h ARG 56 Cb 0.65 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.19 2k54 h ARG 56 CO 0.05 0.71 0.00 1.19 2.80 0.00 0.00 179.97 184.72 2k54 n PHE 57 N -4.15 0.00 0.19 2.20 3.01 -0.21 -2.20 117.46 116.31 2k54 n PHE 57 Ca 0.00 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.58 2k54 n PHE 57 Cb 0.38 -0.12 0.10 0.00 -0.01 0.00 0.00 39.48 39.83 2k54 n PHE 57 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 2k54 h LYS 58 N 0.00 0.00 -6.14 -1.08 1.79 -1.39 -3.46 116.57 106.29 2k54 h LYS 58 Ca 0.00 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.90 2k54 h LYS 58 Cb 0.11 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 2k54 h LYS 58 CO 0.00 0.00 1.38 -2.00 -1.08 0.00 0.00 179.45 177.75 2k54 s GLU 59 N -3.27 3.50 0.44 3.15 2.12 -0.93 -4.89 118.70 118.81 2k54 s GLU 59 Ca 0.04 2.17 0.10 0.00 0.36 0.00 0.00 54.97 57.64 2k54 s GLU 59 Cb 0.07 -4.28 0.96 0.00 0.26 0.00 0.00 34.13 31.14 2k54 s GLU 59 CO 0.72 -1.68 2.04 -1.00 -0.54 0.00 0.00 175.26 174.80 2k54 h PRO 60 N 13.29 0.28 -0.02 4.30 0.13 -1.89 -2.26 132.00 145.83 2k54 h PRO 60 Ca -0.43 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2k54 h PRO 60 Cb 1.23 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2k54 h PRO 60 CO 0.96 0.26 -0.04 -0.25 -0.23 0.00 0.00 178.00 178.70 2k54 n ASP 61 N -4.43 1.90 -4.65 1.44 9.92 -1.26 -4.92 116.55 114.54 2k54 n ASP 61 Ca 0.00 -1.59 -0.42 0.00 -0.53 0.00 0.00 54.79 52.25 2k54 n ASP 61 Cb 0.13 0.03 -0.03 0.00 -0.64 0.00 0.00 41.12 40.61 2k54 n ASP 61 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2k54 s LEU 62 N -2.06 4.29 -0.17 0.64 2.96 -0.85 -3.68 118.68 119.81 2k54 s LEU 62 Ca 0.33 2.42 -0.08 0.00 -0.22 0.00 0.00 54.13 56.58 2k54 s LEU 62 Cb 0.20 -3.53 0.06 0.00 0.50 0.00 0.00 46.19 43.43 2k54 s LEU 62 CO 0.35 -1.10 0.39 -0.47 -1.32 0.00 0.00 176.35 174.20 2k54 s TYR 63 N 4.69 -0.61 -0.46 5.38 5.04 -0.96 -4.99 117.35 125.44 2k54 s TYR 63 Ca 0.84 1.28 -0.13 0.00 -2.44 0.00 0.00 57.07 56.62 2k54 s TYR 63 Cb -0.38 0.24 0.08 0.00 0.35 0.00 0.00 41.96 42.26 2k54 s TYR 63 CO 0.37 -0.36 0.35 0.20 -1.34 0.00 0.00 175.55 174.77 2k54 s GLY 64 N 1.68 2.02 -0.55 8.97 0.00 -1.26 -0.53 107.32 117.65 2k54 s GLY 64 Ca -0.07 -2.20 -0.17 0.00 0.00 0.00 0.00 44.72 42.28 2k54 s GLY 64 CO -0.12 1.04 0.57 1.85 0.00 0.00 0.00 173.10 176.44 2k54 s GLU 65 N 1.54 3.02 -0.00 2.90 2.12 -0.77 -4.66 118.70 122.84 2k54 s GLU 65 Ca 0.04 -1.49 -0.30 0.00 0.36 0.00 0.00 54.97 53.58 2k54 s GLU 65 Cb -0.25 -4.26 -0.03 0.00 0.26 0.00 0.00 34.13 29.85 2k54 s GLU 65 CO 0.04 -1.37 1.00 -1.17 -0.54 0.00 0.00 175.26 173.23 2k54 s LEU 66 N 2.04 4.36 -0.04 2.70 0.20 -1.26 -0.65 118.68 126.03 2k54 s LEU 66 Ca 0.07 1.68 0.04 0.00 0.69 0.00 0.00 54.13 56.60 2k54 s LEU 66 Cb -0.27 -3.57 -0.05 0.00 -0.43 0.00 0.00 46.19 41.87 2k54 s LEU 66 CO 0.05 -0.29 0.02 0.00 -0.29 0.00 0.00 176.35 175.84 2k54 n LEU 67 N 3.98 0.00 -3.74 -0.68 -0.00 -1.03 -4.99 117.00 110.54 2k54 n LEU 67 Ca 0.06 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.94 2k54 n LEU 67 Cb 0.50 0.10 -0.10 0.00 -0.00 0.00 0.00 43.42 43.93 2k54 n LEU 67 CO 0.52 0.10 0.06 -0.89 -0.00 0.00 0.00 177.39 177.18 2k54 s THR 68 N -2.10 0.02 -0.05 1.47 2.01 -1.11 -5.08 115.64 110.79 2k54 s THR 68 Ca -0.02 -0.16 -0.04 0.00 0.31 0.00 0.00 61.69 61.78 2k54 s THR 68 Cb 0.01 -0.58 0.02 0.00 0.01 0.00 0.00 72.50 71.96 2k54 s THR 68 CO 0.17 -0.09 0.14 0.00 -0.69 0.00 0.00 174.62 174.15 2k54 s ARG 69 N -0.37 0.13 -0.08 4.92 1.70 -1.26 -0.92 118.95 123.07 2k54 s ARG 69 Ca -0.05 0.24 0.03 0.00 -0.47 0.00 0.00 55.73 55.48 2k54 s ARG 69 Cb -0.03 -0.00 0.01 0.00 -0.57 0.00 0.00 34.95 34.35 2k54 s ARG 69 CO 0.02 -0.06 -0.18 0.14 -1.08 0.00 0.00 175.30 174.14 2k54 s VAL 70 N 0.41 1.55 -0.04 4.99 -7.23 -0.21 -5.02 120.40 114.85 2k54 s VAL 70 Ca -0.03 -0.73 0.06 0.00 -1.81 0.00 0.00 61.98 59.47 2k54 s VAL 70 Cb -0.04 -1.37 -0.01 0.00 0.56 0.00 0.00 36.38 35.52 2k54 s VAL 70 CO -0.02 0.45 -0.23 -0.51 -0.31 0.00 0.00 175.10 174.48 2k54 s ILE 71 N 0.43 1.85 -0.19 -0.62 2.07 -1.26 -0.72 121.20 122.76 2k54 s ILE 71 Ca -0.14 -0.96 -0.04 0.00 -1.41 0.00 0.00 60.65 58.09 2k54 s ILE 71 Cb -0.16 -1.56 0.08 0.00 0.13 0.00 0.00 42.46 40.95 2k54 s ILE 71 CO 0.06 0.52 0.18 0.54 -1.91 0.00 0.00 174.94 174.32 2k54 s VAL 72 N -0.21 -0.24 0.00 4.00 0.11 -0.48 -5.03 120.40 118.54 2k54 s VAL 72 Ca -0.00 -0.13 0.00 0.00 -2.93 0.00 0.00 61.98 58.92 2k54 s VAL 72 Cb -0.12 -0.64 0.00 0.00 -1.53 0.00 0.00 36.38 34.09 2k54 s VAL 72 CO 0.02 -0.23 0.00 0.61 -3.33 0.00 0.00 175.10 172.17 2k54 n GLY 73 N 5.31 3.30 1.11 6.54 0.00 -1.26 -2.36 105.19 117.83 2k54 n GLY 73 Ca -0.06 -0.14 0.08 0.00 0.00 0.00 0.00 46.02 45.90 2k54 n GLY 73 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k54 n ASN 74 N 9.06 4.29 -4.09 1.61 6.94 -1.26 -4.69 115.26 127.12 2k54 n ASN 74 Ca 0.00 -2.99 -0.25 0.00 -0.02 0.00 0.00 54.58 51.32 2k54 n ASN 74 Cb 0.00 -0.57 -0.16 0.00 -2.36 0.00 0.00 39.78 36.68 2k54 n ASN 74 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2k54 s VAL 75 N -2.80 1.27 -0.02 3.53 1.01 -0.99 -1.16 120.40 121.24 2k54 s VAL 75 Ca 0.45 -0.61 0.07 0.00 0.00 0.00 0.00 61.98 61.89 2k54 s VAL 75 Cb 0.36 -1.12 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 2k54 s VAL 75 CO 0.11 0.38 -0.22 -0.69 0.00 0.00 0.00 175.10 174.67 2k54 s VAL 76 N 0.25 1.79 -0.35 2.92 1.01 -0.63 -1.39 120.40 124.00 2k54 s VAL 76 Ca -0.07 -0.96 -0.10 0.00 0.00 0.00 0.00 61.98 60.85 2k54 s VAL 76 Cb -0.13 -1.49 0.02 0.00 0.00 0.00 0.00 36.38 34.78 2k54 s VAL 76 CO 0.03 0.50 0.18 -0.63 0.00 0.00 0.00 175.10 175.18 2k54 s ILE 77 N -0.43 4.50 -0.29 2.22 -1.09 0.10 -1.30 121.20 124.90 2k54 s ILE 77 Ca 0.06 -0.75 -0.08 0.00 -2.23 0.00 0.00 60.65 57.65 2k54 s ILE 77 Cb -0.10 -3.44 -0.00 0.00 -1.58 0.00 0.00 42.46 37.34 2k54 s ILE 77 CO -0.00 -0.13 0.11 -1.81 -1.23 0.00 0.00 174.94 171.87 2k54 s ASP 78 N 1.56 5.29 -0.42 3.58 1.01 -0.63 -1.04 116.67 126.02 2k54 s ASP 78 Ca 0.02 -0.55 -0.15 0.00 0.71 0.00 0.00 52.55 52.59 2k54 s ASP 78 Cb -0.18 -1.94 0.03 0.00 1.01 0.00 0.00 42.92 41.84 2k54 s ASP 78 CO 0.06 -0.17 0.33 -2.28 0.21 0.00 0.00 175.17 173.32 2k54 s HIS 79 N 1.57 3.24 -0.01 4.23 5.65 -0.10 -0.72 115.29 129.14 2k54 s HIS 79 Ca 0.04 -0.65 0.05 0.00 0.25 0.00 0.00 55.06 54.75 2k54 s HIS 79 Cb -0.17 -2.72 -0.01 0.00 -1.18 0.00 0.00 32.58 28.50 2k54 s HIS 79 CO 0.04 -0.64 -0.15 -1.83 -0.65 0.00 0.00 174.74 171.51 2k54 s GLU 80 N 1.70 1.23 -0.54 2.88 4.04 -1.00 -2.46 118.70 124.55 2k54 s GLU 80 Ca 0.05 -0.54 -0.24 0.00 0.04 0.00 0.00 54.97 54.27 2k54 s GLU 80 Cb -0.20 -1.19 0.04 0.00 0.02 0.00 0.00 34.13 32.80 2k54 s GLU 80 CO 0.09 0.33 0.94 0.99 -1.84 0.00 0.00 175.26 175.77 2k54 s THR 81 N -0.36 4.40 -0.61 1.83 2.01 0.18 -1.40 115.64 121.68 2k54 s THR 81 Ca 0.06 0.36 -0.26 0.00 0.31 0.00 0.00 61.69 62.16 2k54 s THR 81 Cb -0.06 -4.52 0.04 0.00 0.01 0.00 0.00 72.50 67.97 2k54 s THR 81 CO -0.01 -1.07 1.11 -0.69 -0.69 0.00 0.00 174.62 173.28 2k54 s VAL 82 N 3.92 4.10 0.09 3.82 1.01 -0.01 -1.86 120.40 131.47 2k54 s VAL 82 Ca 0.32 0.48 -0.31 0.00 0.00 0.00 0.00 61.98 62.46 2k54 s VAL 82 Cb -0.12 -4.71 -0.08 0.00 0.00 0.00 0.00 36.38 31.48 2k54 s VAL 82 CO 0.20 -1.40 1.46 -0.89 0.00 0.00 0.00 175.10 174.48 2k54 s THR 83 N 4.72 3.26 0.01 3.92 2.01 0.31 -1.22 115.64 128.64 2k54 s THR 83 Ca 0.35 0.83 0.00 0.00 0.31 0.00 0.00 61.69 63.18 2k54 s THR 83 Cb -0.10 -3.53 -0.00 0.00 0.01 0.00 0.00 72.50 68.88 2k54 s THR 83 CO 0.20 0.04 0.01 0.54 -0.69 0.00 0.00 174.62 174.71 2k54 n ARG 84 N 4.58 0.10 -4.00 4.92 1.74 -0.39 -2.25 116.66 121.36 2k54 n ARG 84 Ca 0.13 -0.08 -0.32 0.00 -0.77 0.00 0.00 57.85 56.81 2k54 n ARG 84 Cb 0.42 0.07 -0.15 0.00 -1.02 0.00 0.00 32.46 31.78 2k54 n ARG 84 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2k54 s ASN 85 N -1.06 4.80 -0.07 0.55 3.04 -1.25 -3.66 114.94 117.29 2k54 s ASN 85 Ca 0.01 -2.10 -0.05 0.00 0.04 0.00 0.00 52.86 50.75 2k54 s ASN 85 Cb 0.00 -1.65 -0.04 0.00 -1.54 0.00 0.00 41.25 38.02 2k54 s ASN 85 CO 0.01 -0.39 0.15 -0.36 -3.04 0.00 0.00 177.10 173.47 2k54 s PHE 86 N 0.94 3.57 0.62 0.43 0.08 -0.41 -4.95 117.98 118.26 2k54 s PHE 86 Ca 0.10 0.45 0.35 0.00 0.12 0.00 0.00 56.93 57.95 2k54 s PHE 86 Cb -0.19 -1.89 2.02 0.00 -0.57 0.00 0.00 43.02 42.38 2k54 s PHE 86 CO -0.07 0.69 2.26 -1.00 -0.10 0.00 0.00 175.22 177.00 2k54 h PRO 87 N 4.49 0.00 -0.00 0.24 0.13 -2.00 -2.59 132.00 132.27 2k54 h PRO 87 Ca -0.52 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 2k54 h PRO 87 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2k54 h PRO 87 CO 0.62 0.00 -0.16 -0.85 -0.23 0.00 0.00 178.00 177.38 2k54 n GLU 88 N -3.49 0.73 0.00 0.86 0.00 -1.26 -5.02 120.64 112.46 2k54 n GLU 88 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 57.16 56.82 2k54 n GLU 88 Cb 0.14 -1.49 0.00 0.00 0.00 0.00 0.00 31.44 30.08 2k54 n GLU 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2k54 n GLY 89 N 1.30 -0.54 0.00 -1.84 0.00 -0.98 -5.04 105.19 98.10 2k54 n GLY 89 Ca 0.14 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2k54 n GLY 89 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k54 n LYS 90 N 0.00 0.00 0.00 1.61 3.00 -1.26 -3.94 118.16 117.57 2k54 n LYS 90 Ca 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 58.31 58.36 2k54 n LYS 90 Cb 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 35.03 34.39 2k54 n LYS 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2k54 n GLY 91 N -0.19 1.56 3.58 3.14 0.00 -1.24 -1.29 105.19 110.77 2k54 n GLY 91 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2k54 n GLY 91 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k54 s GLU 92 N 0.00 3.77 -0.15 1.61 2.02 -1.00 -1.26 118.70 123.69 2k54 s GLU 92 Ca 0.00 0.22 -0.04 0.00 0.02 0.00 0.00 54.97 55.17 2k54 s GLU 92 Cb 0.00 -3.78 -0.03 0.00 0.10 0.00 0.00 34.13 30.42 2k54 s GLU 92 CO 0.00 -0.71 -0.04 0.14 0.02 0.00 0.00 175.26 174.67 2k54 s VAL 93 N 2.79 3.91 -0.49 2.63 -7.23 -0.36 -2.60 120.40 119.05 2k54 s VAL 93 Ca 0.27 -0.35 -0.25 0.00 -1.81 0.00 0.00 61.98 59.83 2k54 s VAL 93 Cb -0.14 -2.71 0.03 0.00 0.56 0.00 0.00 36.38 34.12 2k54 s VAL 93 CO 0.14 0.50 0.93 -1.81 -0.31 0.00 0.00 175.10 174.55 2k54 s ASP 94 N 0.34 6.45 0.30 4.85 1.11 -1.26 -0.83 116.67 127.64 2k54 s ASP 94 Ca -0.04 -0.02 0.09 0.00 0.18 0.00 0.00 52.55 52.76 2k54 s ASP 94 Cb -0.14 -2.45 -0.04 0.00 1.07 0.00 0.00 42.92 41.36 2k54 s ASP 94 CO 0.03 -1.10 0.04 -0.69 1.18 0.00 0.00 175.17 174.63 2k54 s VAL 95 N 3.82 3.15 -0.29 -1.27 1.01 -0.50 -0.89 120.40 125.43 2k54 s VAL 95 Ca 0.35 -1.86 -0.00 0.00 0.00 0.00 0.00 61.98 60.47 2k54 s VAL 95 Cb -0.11 -2.87 0.09 0.00 0.00 0.00 0.00 36.38 33.49 2k54 s VAL 95 CO 0.24 -0.28 0.06 0.00 0.00 0.00 0.00 175.10 175.13 2k54 s ALA 96 N -2.40 1.67 -0.47 5.51 0.00 -0.05 -2.38 121.76 123.65 2k54 s ALA 96 Ca 0.34 -1.59 -0.20 0.00 0.00 0.00 0.00 51.96 50.51 2k54 s ALA 96 Cb -0.04 -1.57 0.04 0.00 0.00 0.00 0.00 23.12 21.54 2k54 s ALA 96 CO 0.21 -1.54 0.63 0.00 0.00 0.00 0.00 175.76 175.06 2k54 s ILE 98 N 2.72 4.86 0.13 0.00 2.07 0.47 -1.60 121.20 129.85 2k54 s ILE 98 Ca 0.19 -0.70 0.02 0.00 -1.41 0.00 0.00 60.65 58.75 2k54 s ILE 98 Cb -0.16 -3.67 -0.04 0.00 0.13 0.00 0.00 42.46 38.72 2k54 s ILE 98 CO 0.15 -0.21 0.26 -0.31 -1.91 0.00 0.00 174.94 172.92 2k54 s TYR 99 N 1.61 3.47 -0.16 3.50 2.02 -0.42 -1.07 117.35 126.30 2k54 s TYR 99 Ca 0.04 0.13 0.00 0.00 -0.37 0.00 0.00 57.07 56.87 2k54 s TYR 99 Cb -0.19 -1.67 0.03 0.00 -0.40 0.00 0.00 41.96 39.73 2k54 s TYR 99 CO 0.08 0.53 -0.10 -2.00 -1.57 0.00 0.00 175.55 172.50 2k54 s GLU 100 N -3.06 1.85 -0.20 -0.62 2.12 0.35 -1.61 118.70 117.53 2k54 s GLU 100 Ca 0.34 -0.55 -0.05 0.00 0.36 0.00 0.00 54.97 55.07 2k54 s GLU 100 Cb -0.11 -2.05 -0.02 0.00 0.26 0.00 0.00 34.13 32.20 2k54 s GLU 100 CO 0.28 -0.34 -0.01 0.08 -0.54 0.00 0.00 175.26 174.73 2k54 s VAL 101 N 1.55 3.87 -0.03 3.70 1.01 -0.31 -0.36 120.40 129.83 2k54 s VAL 101 Ca 0.02 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.69 2k54 s VAL 101 Cb -0.14 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.49 2k54 s VAL 101 CO -0.09 0.43 -0.10 -0.70 0.00 0.00 0.00 175.10 174.64 2k54 s GLU 102 N 1.03 1.06 -1.57 2.72 2.56 0.66 -4.80 118.70 120.36 2k54 s GLU 102 Ca 0.02 -0.33 -0.00 0.00 0.00 0.00 0.00 54.97 54.65 2k54 s GLU 102 Cb -0.14 -0.97 0.00 0.00 2.00 0.00 0.00 34.13 35.01 2k54 s GLU 102 CO 0.01 0.12 0.00 0.09 -0.56 0.00 0.00 175.26 174.93 2k54 n ASN 103 N 3.30 -5.34 0.00 -1.70 3.02 -1.26 -2.41 115.26 110.87 2k54 n ASN 103 Ca -0.18 -0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.35 2k54 n ASN 103 Cb 0.54 -4.40 0.00 0.00 -0.61 0.00 0.00 39.78 35.31 2k54 n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k54 n GLY 104 N -1.02 0.44 3.22 7.41 0.00 -1.26 -5.01 105.19 108.97 2k54 n GLY 104 Ca -0.22 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.58 2k54 n GLY 104 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k54 s ARG 105 N -0.49 1.07 -0.25 1.61 1.81 -1.01 -4.71 118.95 116.98 2k54 s ARG 105 Ca 0.00 -0.99 -0.29 0.00 -1.72 0.00 0.00 55.73 52.73 2k54 s ARG 105 Cb 0.00 -1.19 -0.02 0.00 -0.45 0.00 0.00 34.95 33.28 2k54 s ARG 105 CO 0.00 0.29 1.66 0.42 -0.68 0.00 0.00 175.30 176.98 2k54 s ILE 106 N -1.05 3.64 0.09 1.52 1.01 -0.68 -0.25 121.20 125.48 2k54 s ILE 106 Ca 0.04 0.71 -0.07 0.00 0.00 0.00 0.00 60.65 61.32 2k54 s ILE 106 Cb -0.09 -3.70 -0.25 0.00 0.01 0.00 0.00 42.46 38.43 2k54 s ILE 106 CO 0.03 -0.33 1.18 0.00 0.00 0.00 0.00 174.94 175.82 2k54 h ALA 107 N 11.20 0.15 -2.74 9.38 0.00 -0.94 -1.27 119.26 135.04 2k54 h ALA 107 Ca -0.34 -0.79 -0.13 0.00 0.00 0.00 0.00 54.91 53.65 2k54 h ALA 107 Cb 1.16 0.03 -0.26 0.00 0.00 0.00 0.00 17.79 18.72 2k54 h ALA 107 CO 1.01 0.83 -0.32 0.15 0.00 0.00 0.00 179.25 180.93 2k54 s LYS 108 N -2.95 0.38 -0.06 0.00 1.02 -0.97 -1.91 119.74 115.25 2k54 s LYS 108 Ca -0.06 0.69 0.04 0.00 0.02 0.00 0.00 55.97 56.66 2k54 s LYS 108 Cb 0.07 0.02 0.00 0.00 -0.52 0.00 0.00 37.83 37.40 2k54 s LYS 108 CO 0.89 -0.13 -0.18 0.00 -0.92 0.00 0.00 175.35 175.01 2k54 s ALA 109 N 1.08 1.67 0.09 5.17 0.00 -0.15 -0.49 121.76 129.13 2k54 s ALA 109 Ca -0.07 -0.72 0.05 0.00 0.00 0.00 0.00 51.96 51.22 2k54 s ALA 109 Cb -0.07 -0.61 -0.03 0.00 0.00 0.00 0.00 23.12 22.40 2k54 s ALA 109 CO -0.09 0.25 -0.13 -1.58 0.00 0.00 0.00 175.76 174.21 2k54 s TRP 110 N 0.26 1.24 -0.01 0.00 0.51 -0.23 -1.27 118.94 119.43 2k54 s TRP 110 Ca -0.10 -0.53 -0.06 0.00 -2.12 0.00 0.00 56.10 53.29 2k54 s TRP 110 Cb -0.14 -0.68 0.00 0.00 -0.81 0.00 0.00 33.47 31.84 2k54 s TRP 110 CO 0.04 0.07 0.13 -0.59 -0.51 0.00 0.00 176.95 176.10 2k54 s PHE 111 N -1.76 -0.00 -0.14 -1.98 -0.71 -1.03 -0.40 117.98 111.96 2k54 s PHE 111 Ca 0.03 -0.00 -0.00 0.00 -1.04 0.00 0.00 56.93 55.91 2k54 s PHE 111 Cb -0.07 -0.03 0.03 0.00 -1.21 0.00 0.00 43.02 41.74 2k54 s PHE 111 CO 0.02 -0.22 -0.07 0.21 -1.34 0.00 0.00 175.22 173.82 2k54 s LYS 112 N -0.96 1.54 -0.02 1.99 2.20 -0.46 -1.57 119.74 122.47 2k54 s LYS 112 Ca -0.10 -0.39 -0.23 0.00 -0.36 0.00 0.00 55.97 54.88 2k54 s LYS 112 Cb -0.06 -1.81 -0.05 0.00 -1.51 0.00 0.00 37.83 34.41 2k54 s LYS 112 CO 0.01 -0.34 0.69 0.42 -0.36 0.00 0.00 175.35 175.77 2k54 s ILE 113 N 1.66 4.92 0.00 5.43 1.01 -1.26 -0.87 121.20 132.08 2k54 s ILE 113 Ca 0.03 1.43 0.00 0.00 0.00 0.00 0.00 60.65 62.11 2k54 s ILE 113 Cb -0.14 -4.03 0.00 0.00 0.01 0.00 0.00 42.46 38.31 2k54 s ILE 113 CO -0.08 0.33 0.26 0.61 0.00 0.00 0.00 174.94 176.06 2k54 n GLY 114 N 2.71 -1.72 3.65 6.18 0.00 -0.07 -4.98 105.19 110.96 2k54 n GLY 114 Ca -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 2k54 n GLY 114 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k54 s GLU 115 N -0.52 1.54 -0.29 1.61 1.03 -1.26 -5.04 118.70 115.77 2k54 s GLU 115 Ca 0.00 -0.86 -0.28 0.00 0.03 0.00 0.00 54.97 53.86 2k54 s GLU 115 Cb 0.00 0.57 -0.03 0.00 -0.80 0.00 0.00 34.13 33.87 2k54 s GLU 115 CO 0.00 -0.68 1.90 -1.25 -1.33 0.00 0.00 175.26 173.90 2k54 s PRO 116 N -3.88 3.33 0.09 -4.83 0.04 -1.26 -4.07 135.00 124.42 2k54 s PRO 116 Ca 0.09 1.63 0.05 0.00 0.04 0.00 0.00 61.00 62.81 2k54 s PRO 116 Cb -0.03 -4.23 -0.04 0.00 0.04 0.00 0.00 34.50 30.24 2k54 s PRO 116 CO -0.00 -1.87 -0.02 1.03 0.04 0.00 0.00 177.00 176.18 2k54 s ARG 117 N 5.76 2.47 0.16 4.56 0.52 -1.07 -5.04 118.95 126.30 2k54 s ARG 117 Ca 0.85 -0.87 0.09 0.00 -0.52 0.00 0.00 55.73 55.28 2k54 s ARG 117 Cb -0.26 -2.50 -0.04 0.00 0.52 0.00 0.00 34.95 32.68 2k54 s ARG 117 CO 0.34 0.54 -0.19 0.42 0.02 0.00 0.00 175.30 176.43 2k54 s ILE 118 N -1.29 1.85 0.01 1.52 -1.09 -1.26 -2.38 121.20 118.57 2k54 s ILE 118 Ca 0.25 -1.91 -0.22 0.00 -2.23 0.00 0.00 60.65 56.54 2k54 s ILE 118 Cb -0.12 -1.85 -0.17 0.00 -1.58 0.00 0.00 42.46 38.74 2k54 s ILE 118 CO 0.17 -0.29 1.27 0.58 -1.23 0.00 0.00 174.94 175.44 2k54 h VAL 119 N 3.28 1.39 0.00 2.92 2.07 -1.94 -3.16 116.25 120.81 2k54 h VAL 119 Ca -0.43 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 65.69 2k54 h VAL 119 Cb 1.21 2.11 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 2k54 h VAL 119 CO 0.50 0.40 0.00 -1.28 0.02 0.00 0.00 177.57 177.21 2k54 h SER 120 N -0.20 0.00 -0.85 0.57 0.87 -1.97 -1.41 113.55 110.56 2k54 h SER 120 Ca 0.01 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.59 2k54 h SER 120 Cb 0.71 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.63 2k54 h SER 120 CO 0.03 0.00 0.56 -0.61 -0.53 0.00 0.00 176.83 176.28 2k54 h GLN 121 N 0.00 1.08 -3.59 2.24 4.15 -1.97 -3.22 115.11 113.81 2k54 h GLN 121 Ca 0.00 -0.06 -0.80 0.00 0.77 0.00 0.00 58.65 58.56 2k54 h GLN 121 Cb 0.34 -0.24 -0.28 0.00 0.21 0.00 0.00 27.48 27.50 2k54 h GLN 121 CO 0.00 0.71 0.46 0.15 -1.93 0.00 0.00 178.83 178.23 2k54 s LYS 122 N -6.12 4.20 0.00 1.69 3.01 -0.53 -5.06 119.74 116.93 2k54 s LYS 122 Ca -0.13 -3.21 0.17 0.00 -1.01 0.00 0.00 55.97 51.80 2k54 s LYS 122 Cb 0.17 -4.56 1.03 0.00 -1.01 0.00 0.00 37.83 33.45 2k54 s LYS 122 CO 0.79 -1.25 1.43 0.45 0.51 0.00 0.00 175.35 177.29