#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 2.44 -0.04 7.83 3.02 -1.26 -4.91 115.26 122.34 2k54 n ASN 2 Ca 0.00 -3.09 -0.14 0.00 -0.03 0.00 0.00 54.58 51.32 2k54 n ASN 2 Cb 0.00 -0.71 -0.12 0.00 -0.61 0.00 0.00 39.78 38.35 2k54 n ASN 2 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2k54 h SER 3 N 5.19 0.08 0.39 6.41 0.02 -2.00 -3.31 113.55 120.33 2k54 h SER 3 Ca 0.17 -0.78 0.00 0.00 -0.84 0.00 0.00 61.79 60.34 2k54 h SER 3 Cb 0.77 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.29 2k54 h SER 3 CO 0.67 0.85 0.00 -1.84 -1.14 0.00 0.00 176.83 175.37 2k54 n GLU 4 N -4.64 0.11 0.02 3.45 0.00 -1.26 -1.14 120.64 117.18 2k54 n GLU 4 Ca -0.09 0.44 -0.14 0.00 0.00 0.00 0.00 57.16 57.37 2k54 n GLU 4 Cb 0.43 -1.75 -0.14 0.00 0.00 0.00 0.00 31.44 29.98 2k54 n GLU 4 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 2k54 h ILE 5 N 0.00 0.99 0.00 3.84 1.08 -1.91 -3.37 117.51 118.13 2k54 h ILE 5 Ca 0.00 -2.72 -0.06 0.00 -0.39 0.00 0.00 64.86 61.69 2k54 h ILE 5 Cb 0.20 2.60 -0.01 0.00 -3.07 0.00 0.00 36.82 36.54 2k54 h ILE 5 CO 0.00 0.74 -0.66 -0.33 -0.69 0.00 0.00 178.15 177.21 2k54 h GLU 6 N 0.04 0.00 0.29 2.37 5.08 -1.33 -3.34 114.58 117.69 2k54 h GLU 6 Ca -0.28 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.08 2k54 h GLU 6 Cb 2.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.24 2k54 h GLU 6 CO 0.12 0.18 -0.21 -0.07 -1.00 0.00 0.00 179.01 178.03 2k54 h LEU 7 N 0.00 -0.53 -0.04 1.33 3.38 -1.29 -2.29 115.31 115.87 2k54 h LEU 7 Ca -0.03 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2k54 h LEU 7 Cb 1.20 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 42.12 2k54 h LEU 7 CO 0.02 -0.32 0.02 1.55 0.09 0.00 0.00 178.44 179.80 2k54 h PRO 8 N -0.50 0.05 -0.45 1.13 0.13 -1.76 -2.85 132.00 127.76 2k54 h PRO 8 Ca -0.02 -0.01 -0.10 0.00 -0.87 0.00 0.00 66.00 64.99 2k54 h PRO 8 Cb 0.42 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.53 2k54 h PRO 8 CO 0.01 0.15 -0.14 -0.39 -0.23 0.00 0.00 178.00 177.40 2k54 h VAL 9 N -0.06 1.26 -0.13 1.56 -1.51 -1.68 -1.21 116.25 114.49 2k54 h VAL 9 Ca 0.01 -1.23 -0.13 0.00 -1.23 0.00 0.00 66.70 64.12 2k54 h VAL 9 Cb 0.11 1.07 0.00 0.00 -2.13 0.00 0.00 31.29 30.34 2k54 h VAL 9 CO -0.00 0.42 -0.44 -0.61 -1.23 0.00 0.00 177.57 175.71 2k54 h GLN 10 N 0.74 0.53 0.00 5.19 -0.00 -1.50 -3.16 115.11 116.91 2k54 h GLN 10 Ca 0.12 -0.40 -0.09 0.00 -0.00 0.00 0.00 58.65 58.28 2k54 h GLN 10 Cb 0.64 0.07 -0.01 0.00 0.00 0.00 0.00 27.48 28.18 2k54 h GLN 10 CO 0.05 1.02 -0.42 0.87 0.00 0.00 0.00 178.83 180.34 2k54 h LYS 11 N 0.15 0.00 -0.22 1.69 1.79 -1.31 -2.16 116.57 116.51 2k54 h LYS 11 Ca -0.02 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.46 2k54 h LYS 11 Cb 1.07 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.70 2k54 h LYS 11 CO 0.09 0.42 0.13 1.96 -1.08 0.00 0.00 179.45 180.97 2k54 h GLN 12 N 0.00 0.26 0.15 3.15 4.20 -1.26 -1.99 115.11 119.62 2k54 h GLN 12 Ca -0.00 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 2k54 h GLN 12 Cb 0.76 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.48 2k54 h GLN 12 CO 0.05 0.17 -0.09 1.25 -0.67 0.00 0.00 178.83 179.54 2k54 h LEU 13 N 0.26 -0.22 -2.27 1.46 7.12 -1.43 0.20 115.31 120.42 2k54 h LEU 13 Ca 0.09 0.01 0.01 0.00 0.13 0.00 0.00 57.88 58.12 2k54 h LEU 13 Cb -0.00 0.07 -0.00 0.00 -0.53 0.00 0.00 40.66 40.19 2k54 h LEU 13 CO -0.04 -0.15 0.02 -0.33 -0.13 0.00 0.00 178.44 177.81 2k54 h GLU 14 N -0.23 0.00 0.05 1.25 5.08 -1.35 -0.10 114.58 119.28 2k54 h GLU 14 Ca -0.01 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.08 2k54 h GLU 14 Cb 0.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2k54 h GLU 14 CO 0.02 0.00 -1.31 0.00 -1.00 0.00 0.00 179.01 176.71 2k54 h ALA 15 N 1.98 0.37 -0.24 3.43 0.00 -0.95 -3.32 119.26 120.53 2k54 h ALA 15 Ca 0.01 -1.07 -0.20 0.00 0.00 0.00 0.00 54.91 53.66 2k54 h ALA 15 Cb 0.06 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2k54 h ALA 15 CO -0.00 1.24 -0.63 -0.92 0.00 0.00 0.00 179.25 178.95 2k54 h TYR 16 N 0.03 1.07 -0.04 0.00 3.20 0.13 0.86 116.97 122.22 2k54 h TYR 16 Ca -0.14 -0.41 0.00 0.00 3.14 0.00 0.00 58.73 61.31 2k54 h TYR 16 Cb 1.91 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.99 2k54 h TYR 16 CO 0.03 1.24 0.00 0.27 -1.64 0.00 0.00 178.16 178.06 2k54 n ASN 17 N -3.98 1.19 0.00 -2.11 2.04 -0.98 -3.61 115.26 107.81 2k54 n ASN 17 Ca -0.05 -1.45 0.00 0.00 -0.44 0.00 0.00 54.58 52.64 2k54 n ASN 17 Cb 0.67 -0.02 0.00 0.00 -2.53 0.00 0.00 39.78 37.90 2k54 n ASN 17 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2k54 n ALA 18 N -0.05 2.28 -0.99 -2.53 0.00 -0.99 -4.99 120.51 113.24 2k54 n ALA 18 Ca 0.19 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.99 2k54 n ALA 18 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.74 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 -0.15 -0.93 -2.69 0.00 5.12 0.10 -4.98 116.66 113.13 2k54 n ARG 19 Ca 0.00 0.23 -0.43 0.00 -1.93 0.00 0.00 57.85 55.72 2k54 n ARG 19 Cb 0.09 -3.95 -0.02 0.00 -1.16 0.00 0.00 32.46 27.41 2k54 n ARG 19 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2k54 s ASP 20 N -2.02 6.90 0.21 0.55 1.01 -0.07 -4.89 116.67 118.35 2k54 s ASP 20 Ca 0.00 1.01 0.15 0.00 0.71 0.00 0.00 52.55 54.42 2k54 s ASP 20 Cb 0.00 -2.52 -0.01 0.00 1.01 0.00 0.00 42.92 41.40 2k54 s ASP 20 CO 0.00 -0.82 1.27 0.40 0.21 0.00 0.00 175.17 176.24 2k54 h ILE 21 N 5.68 0.84 -0.35 0.77 1.08 -1.94 -3.31 117.51 120.29 2k54 h ILE 21 Ca -0.21 -2.26 0.06 0.00 -0.39 0.00 0.00 64.86 62.06 2k54 h ILE 21 Cb 1.07 2.36 -0.05 0.00 -3.07 0.00 0.00 36.82 37.12 2k54 h ILE 21 CO 1.00 0.48 0.02 -0.78 -0.69 0.00 0.00 178.15 178.18 2k54 h ASP 22 N 0.00 -0.10 0.58 1.72 3.58 -1.97 0.16 116.42 120.39 2k54 h ASP 22 Ca -0.04 0.07 -0.27 0.00 0.42 0.00 0.00 57.03 57.21 2k54 h ASP 22 Cb 1.47 0.13 0.01 0.00 1.72 0.00 0.00 39.33 42.65 2k54 h ASP 22 CO 0.07 -0.02 -1.21 0.00 -2.88 0.00 0.00 179.24 175.20 2k54 h ALA 23 N 1.29 0.13 0.00 -0.78 0.00 -1.92 -1.12 119.26 116.86 2k54 h ALA 23 Ca 0.17 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.22 2k54 h ALA 23 Cb 0.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2k54 h ALA 23 CO -0.27 0.94 0.00 0.34 0.00 0.00 0.00 179.25 180.26 2k54 n PHE 24 N -3.57 0.00 -0.00 0.00 7.35 -0.80 -2.71 117.46 117.73 2k54 n PHE 24 Ca -0.08 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.61 2k54 n PHE 24 Cb 1.00 -0.41 -0.00 0.00 0.35 0.00 0.00 39.48 40.41 2k54 n PHE 24 CO 0.00 0.00 0.00 -0.12 -0.76 0.00 0.00 176.76 175.88 2k54 n MET 25 N -1.41 3.44 -0.13 -4.13 1.56 0.49 -4.84 117.12 112.08 2k54 n MET 25 Ca 0.05 -0.00 -0.04 0.00 -0.27 0.00 0.00 57.70 57.44 2k54 n MET 25 Cb 0.15 -1.00 0.04 0.00 2.15 0.00 0.00 33.22 34.56 2k54 n MET 25 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2k54 h ALA 26 N 0.01 0.50 0.00 -5.12 0.00 -0.99 -2.74 119.26 110.92 2k54 h ALA 26 Ca -0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2k54 h ALA 26 Cb 0.87 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2k54 h ALA 26 CO 0.00 -0.27 0.00 0.91 0.00 0.00 0.00 179.25 179.89 2k54 n TRP 27 N -5.05 0.00 -2.85 0.00 7.02 -1.21 -4.82 117.44 110.53 2k54 n TRP 27 Ca 0.03 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.31 2k54 n TRP 27 Cb 0.18 0.00 0.02 0.00 -2.42 0.00 0.00 31.31 29.09 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 -2.00 2.95 0.27 -5.99 0.52 -1.04 -1.72 118.94 111.94 2k54 s TRP 28 Ca 0.39 -0.05 -0.15 0.00 0.02 0.00 0.00 56.10 56.32 2k54 s TRP 28 Cb 0.18 -2.52 -0.08 0.00 -1.15 0.00 0.00 33.47 29.89 2k54 s TRP 28 CO 0.30 -0.60 0.68 0.00 0.02 0.00 0.00 176.95 177.35 2k54 s ALA 29 N -2.59 3.41 0.51 0.98 0.00 -0.39 -4.51 121.76 119.17 2k54 s ALA 29 Ca 0.54 -0.01 0.27 0.00 0.00 0.00 0.00 51.96 52.76 2k54 s ALA 29 Cb -0.10 -2.70 1.58 0.00 0.00 0.00 0.00 23.12 21.90 2k54 s ALA 29 CO 0.37 0.37 2.16 0.22 0.00 0.00 0.00 175.76 178.88 2k54 h ASP 30 N 2.67 0.00 -0.32 0.00 3.58 -1.95 -2.12 116.42 118.28 2k54 h ASP 30 Ca -0.48 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.97 2k54 h ASP 30 Cb 1.18 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.23 2k54 h ASP 30 CO 0.66 0.06 0.00 -0.90 -2.88 0.00 0.00 179.24 176.18 2k54 n ASP 31 N -3.85 4.09 -4.74 2.28 5.75 -1.26 -1.39 116.55 117.43 2k54 n ASP 31 Ca -0.02 -2.91 -0.42 0.00 -0.01 0.00 0.00 54.79 51.43 2k54 n ASP 31 Cb 0.16 -0.54 -0.02 0.00 -1.03 0.00 0.00 41.12 39.69 2k54 n ASP 31 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k54 s GLN 33 N -0.10 3.09 -0.41 0.00 -1.52 -0.89 -1.05 119.66 118.79 2k54 s GLN 33 Ca 0.66 -0.98 -0.18 0.00 -1.95 0.00 0.00 55.36 52.90 2k54 s GLN 33 Cb -0.48 -4.10 0.01 0.00 -0.22 0.00 0.00 33.01 28.22 2k54 s GLN 33 CO 0.44 -1.18 0.51 -0.47 -0.25 0.00 0.00 175.29 174.34 2k54 s TYR 34 N 2.42 3.14 -0.10 0.91 5.04 -0.28 -1.43 117.35 127.06 2k54 s TYR 34 Ca 0.13 -0.13 -0.03 0.00 -2.44 0.00 0.00 57.07 54.59 2k54 s TYR 34 Cb -0.20 -3.02 -0.03 0.00 0.35 0.00 0.00 41.96 39.05 2k54 s TYR 34 CO 0.11 -0.70 0.04 0.71 -1.34 0.00 0.00 175.55 174.36 2k54 s TYR 35 N 2.39 3.27 0.28 4.97 1.51 -0.14 -0.90 117.35 128.73 2k54 s TYR 35 Ca 0.17 0.28 0.08 0.00 -1.01 0.00 0.00 57.07 56.58 2k54 s TYR 35 Cb -0.16 -1.83 -0.04 0.00 -0.11 0.00 0.00 41.96 39.83 2k54 s TYR 35 CO 0.15 0.53 0.18 0.00 -1.11 0.00 0.00 175.55 175.30 2k54 s ALA 36 N -0.91 3.56 0.03 3.71 0.00 -0.31 -2.87 121.76 124.97 2k54 s ALA 36 Ca 0.14 -1.54 -0.36 0.00 0.00 0.00 0.00 51.96 50.19 2k54 s ALA 36 Cb -0.11 -1.14 -0.16 0.00 0.00 0.00 0.00 23.12 21.71 2k54 s ALA 36 CO 0.03 0.19 1.50 0.34 0.00 0.00 0.00 175.76 177.81 2k54 n PHE 37 N -1.17 1.83 -0.03 0.00 7.35 -0.70 -0.87 117.46 123.88 2k54 n PHE 37 Ca -0.06 0.49 -0.13 0.00 -0.76 0.00 0.00 57.45 56.99 2k54 n PHE 37 Cb 0.59 -2.43 -0.11 0.00 0.35 0.00 0.00 39.48 37.88 2k54 n PHE 37 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 2k54 h PRO 38 N 5.66 -0.01 -1.00 -7.13 0.13 -1.98 -3.43 132.00 124.23 2k54 h PRO 38 Ca -0.47 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.47 2k54 h PRO 38 Cb 1.31 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.27 2k54 h PRO 38 CO 0.85 0.68 -0.53 0.00 -0.23 0.00 0.00 178.00 178.77 2k54 n ALA 39 N -2.47 -1.46 -3.89 -0.56 0.00 -0.48 -4.85 120.51 106.80 2k54 n ALA 39 Ca -0.09 -1.24 -0.33 0.00 0.00 0.00 0.00 53.44 51.78 2k54 n ALA 39 Cb 0.34 -1.42 -0.15 0.00 0.00 0.00 0.00 19.45 18.23 2k54 n ALA 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2k54 s THR 40 N 0.77 2.52 -0.53 0.00 2.01 -0.05 -4.86 115.64 115.50 2k54 s THR 40 Ca 0.30 -1.23 -0.27 0.00 0.31 0.00 0.00 61.69 60.81 2k54 s THR 40 Cb 0.03 -2.32 -0.03 0.00 0.01 0.00 0.00 72.50 70.19 2k54 s THR 40 CO -0.08 0.16 2.01 -0.22 -0.69 0.00 0.00 174.62 175.80 2k54 s LEU 41 N 1.24 3.35 0.07 4.42 2.96 -1.26 -1.16 118.68 128.30 2k54 s LEU 41 Ca -0.02 0.69 -0.07 0.00 -0.22 0.00 0.00 54.13 54.51 2k54 s LEU 41 Cb -0.17 -2.67 -0.29 0.00 0.50 0.00 0.00 46.19 43.56 2k54 s LEU 41 CO -0.06 -2.42 1.12 -0.07 -1.32 0.00 0.00 176.35 173.60 2k54 h LEU 42 N 16.93 0.55 -7.14 -0.68 3.38 -1.39 -3.46 115.31 123.50 2k54 h LEU 42 Ca -0.27 -0.57 -0.34 0.00 0.09 0.00 0.00 57.88 56.78 2k54 h LEU 42 Cb 1.19 -0.18 -0.37 0.00 0.09 0.00 0.00 40.66 41.39 2k54 h LEU 42 CO 1.17 1.44 -0.67 0.00 0.09 0.00 0.00 178.44 180.47 2k54 s ALA 43 N -2.70 0.00 -0.29 1.53 0.00 -1.16 -4.97 121.76 114.18 2k54 s ALA 43 Ca -0.05 0.27 0.01 0.00 0.00 0.00 0.00 51.96 52.19 2k54 s ALA 43 Cb 0.06 -0.91 0.33 0.00 0.00 0.00 0.00 23.12 22.60 2k54 s ALA 43 CO 0.90 -0.78 1.67 0.41 0.00 0.00 0.00 175.76 177.96 2k54 n GLY 44 N 5.31 3.69 0.00 0.00 0.00 -1.26 -1.12 105.19 111.80 2k54 n GLY 44 Ca -0.05 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.22 0.00 0.21 1.61 0.23 -0.22 -4.69 115.26 112.19 2k54 n ASN 45 Ca 0.34 0.00 0.08 0.00 -0.53 0.00 0.00 54.58 54.47 2k54 n ASN 45 Cb 0.97 0.00 0.44 0.00 -2.08 0.00 0.00 39.78 39.11 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 1.06 -0.72 -2.53 0.00 -1.36 -3.12 119.26 112.59 2k54 h ALA 46 Ca 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2k54 h ALA 46 Cb 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2k54 h ALA 46 CO 0.00 0.35 0.43 0.00 0.00 0.00 0.00 179.25 180.03 2k54 h ALA 47 N 1.72 0.92 -0.01 0.00 0.00 -1.92 -0.93 119.26 119.04 2k54 h ALA 47 Ca -0.00 -0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.63 2k54 h ALA 47 Cb 0.75 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2k54 h ALA 47 CO 0.04 0.40 -0.82 0.93 0.00 0.00 0.00 179.25 179.79 2k54 h GLU 48 N 0.98 0.17 -0.25 0.00 5.08 -1.95 -3.23 114.58 115.39 2k54 h GLU 48 Ca 0.26 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 2k54 h GLU 48 Cb -0.02 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2k54 h GLU 48 CO -0.05 0.90 0.03 0.82 -1.00 0.00 0.00 179.01 179.71 2k54 h ILE 49 N 0.10 1.24 0.11 3.13 2.04 -1.39 -2.70 117.51 120.03 2k54 h ILE 49 Ca -0.03 -0.80 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 2k54 h ILE 49 Cb 1.43 1.29 0.00 0.00 -0.74 0.00 0.00 36.82 38.79 2k54 h ILE 49 CO 0.12 0.25 -0.05 0.08 0.00 0.00 0.00 178.15 178.55 2k54 h ARG 50 N 0.21 -0.14 -0.34 2.37 0.11 -1.27 -1.90 114.38 113.42 2k54 h ARG 50 Ca 0.07 0.01 -0.07 0.00 0.10 0.00 0.00 59.98 60.09 2k54 h ARG 50 Cb 0.35 0.03 -0.02 0.00 1.11 0.00 0.00 29.97 31.44 2k54 h ARG 50 CO 0.01 0.10 -0.10 -0.39 0.10 0.00 0.00 179.97 179.69 2k54 h VAL 51 N -0.38 1.24 -0.14 0.08 -1.51 -1.64 -0.94 116.25 112.95 2k54 h VAL 51 Ca -0.02 -1.03 -0.15 0.00 -1.23 0.00 0.00 66.70 64.27 2k54 h VAL 51 Cb 0.32 1.09 -0.01 0.00 -2.13 0.00 0.00 31.29 30.55 2k54 h VAL 51 CO 0.03 0.34 -0.57 -0.09 -1.23 0.00 0.00 177.57 176.05 2k54 h ARG 52 N 0.54 0.44 -0.01 5.19 2.43 -1.45 -2.91 114.38 118.60 2k54 h ARG 52 Ca 0.10 -0.28 -0.18 0.00 -0.81 0.00 0.00 59.98 58.81 2k54 h ARG 52 Cb 0.50 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 2k54 h ARG 52 CO 0.03 0.88 -0.81 0.45 -1.51 0.00 0.00 179.97 179.01 2k54 h HIS 53 N 0.33 0.28 -0.82 2.20 3.86 -0.87 -3.03 115.15 117.10 2k54 h HIS 53 Ca 0.00 -0.14 0.05 0.00 -1.16 0.00 0.00 60.37 59.12 2k54 h HIS 53 Cb 1.09 -0.04 -0.05 0.00 1.06 0.00 0.00 27.41 29.48 2k54 h HIS 53 CO 0.04 0.92 0.54 0.82 0.86 0.00 0.00 177.93 181.10 2k54 h ILE 54 N 0.12 1.09 -0.28 2.45 2.04 -1.05 0.76 117.51 122.64 2k54 h ILE 54 Ca -0.03 -0.33 -0.08 0.00 1.00 0.00 0.00 64.86 65.42 2k54 h ILE 54 Cb 1.40 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 2k54 h ILE 54 CO 0.12 0.18 -0.16 -0.33 0.00 0.00 0.00 178.15 177.96 2k54 h GLU 55 N 0.96 0.50 0.00 2.37 5.08 -1.46 -2.22 114.58 119.81 2k54 h GLU 55 Ca 0.34 -0.16 -0.10 0.00 -1.00 0.00 0.00 59.36 58.45 2k54 h GLU 55 Cb 0.13 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2k54 h GLU 55 CO -0.11 0.65 -0.45 -0.09 -1.00 0.00 0.00 179.01 178.00 2k54 h ARG 56 N 0.45 0.00 -0.00 2.33 9.65 -1.12 -3.02 114.38 122.67 2k54 h ARG 56 Ca 0.08 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.96 2k54 h ARG 56 Cb 0.55 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.13 2k54 h ARG 56 CO 0.04 0.45 -0.09 1.19 2.80 0.00 0.00 179.97 184.36 2k54 n PHE 57 N -3.42 0.00 0.18 2.20 3.01 0.14 -2.92 117.46 116.66 2k54 n PHE 57 Ca 0.01 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.52 2k54 n PHE 57 Cb 0.61 -0.18 0.31 0.00 -0.01 0.00 0.00 39.48 40.21 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 0.51 0.00 -6.20 -1.08 1.79 -1.28 -3.45 116.57 106.85 2k54 h LYS 58 Ca 0.00 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.88 2k54 h LYS 58 Cb 0.33 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.99 2k54 h LYS 58 CO 0.00 0.38 1.27 0.39 -1.08 0.00 0.00 179.45 180.41 2k54 n GLU 59 N -3.48 2.25 0.22 3.15 -0.58 -1.15 -4.89 120.64 116.17 2k54 n GLU 59 Ca 0.00 0.77 0.08 0.00 -0.42 0.00 0.00 57.16 57.59 2k54 n GLU 59 Cb 0.53 -2.89 0.53 0.00 -0.57 0.00 0.00 31.44 29.04 2k54 n GLU 59 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2k54 h PRO 60 N 11.38 0.00 -0.14 3.49 0.13 -1.91 -2.53 132.00 142.42 2k54 h PRO 60 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2k54 h PRO 60 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2k54 h PRO 60 CO 0.96 0.24 0.00 -0.25 -0.23 0.00 0.00 178.00 178.71 2k54 n ASP 61 N -3.76 2.32 -4.62 1.44 9.92 -1.26 -4.95 116.55 115.64 2k54 n ASP 61 Ca -0.01 -1.78 -0.43 0.00 -0.53 0.00 0.00 54.79 52.04 2k54 n ASP 61 Cb 0.34 -0.08 -0.03 0.00 -0.64 0.00 0.00 41.12 40.71 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 -1.78 3.83 -0.22 0.64 2.96 -0.96 -4.08 118.68 119.09 2k54 s LEU 62 Ca 0.34 2.06 -0.05 0.00 -0.22 0.00 0.00 54.13 56.26 2k54 s LEU 62 Cb 0.20 -3.52 0.11 0.00 0.50 0.00 0.00 46.19 43.48 2k54 s LEU 62 CO 0.30 -1.54 0.40 -0.47 -1.32 0.00 0.00 176.35 173.71 2k54 s TYR 63 N 6.50 -0.80 -0.51 5.38 5.04 -1.18 -4.93 117.35 126.85 2k54 s TYR 63 Ca 0.91 1.21 -0.18 0.00 -2.44 0.00 0.00 57.07 56.57 2k54 s TYR 63 Cb -0.34 0.17 0.07 0.00 0.35 0.00 0.00 41.96 42.21 2k54 s TYR 63 CO 0.36 -0.58 0.56 0.20 -1.34 0.00 0.00 175.55 174.75 2k54 s GLY 64 N 2.58 1.86 -0.59 8.97 0.00 -1.26 -0.62 107.32 118.26 2k54 s GLY 64 Ca 0.05 -1.93 -0.21 0.00 0.00 0.00 0.00 44.72 42.63 2k54 s GLY 64 CO -0.14 1.36 0.79 1.85 0.00 0.00 0.00 173.10 176.96 2k54 s GLU 65 N 2.32 3.11 -0.11 2.90 2.12 -0.72 -4.66 118.70 123.66 2k54 s GLU 65 Ca 0.11 -0.96 -0.30 0.00 0.36 0.00 0.00 54.97 54.18 2k54 s GLU 65 Cb -0.22 -4.20 -0.01 0.00 0.26 0.00 0.00 34.13 29.97 2k54 s GLU 65 CO 0.09 -1.55 1.04 -1.17 -0.54 0.00 0.00 175.26 173.14 2k54 s LEU 66 N 3.23 4.24 -0.06 2.70 0.20 -1.26 -1.51 118.68 126.22 2k54 s LEU 66 Ca 0.18 1.56 0.04 0.00 0.69 0.00 0.00 54.13 56.60 2k54 s LEU 66 Cb -0.20 -3.56 -0.06 0.00 -0.43 0.00 0.00 46.19 41.95 2k54 s LEU 66 CO 0.10 -0.49 -0.00 0.00 -0.29 0.00 0.00 176.35 175.67 2k54 n LEU 67 N 5.16 0.83 -3.74 -0.68 -0.00 -1.09 -5.01 117.00 112.49 2k54 n LEU 67 Ca 0.09 -0.01 -0.12 0.00 -0.00 0.00 0.00 56.01 55.97 2k54 n LEU 67 Cb 0.48 0.03 -0.12 0.00 -0.00 0.00 0.00 43.42 43.81 2k54 n LEU 67 CO 0.53 0.27 -0.03 -0.89 -0.00 0.00 0.00 177.39 177.26 2k54 s THR 68 N -2.14 -0.02 -0.02 1.47 2.01 -1.13 -5.09 115.64 110.72 2k54 s THR 68 Ca -0.05 0.06 0.01 0.00 0.31 0.00 0.00 61.69 62.02 2k54 s THR 68 Cb 0.02 -0.46 0.02 0.00 0.01 0.00 0.00 72.50 72.09 2k54 s THR 68 CO 0.21 0.03 -0.01 0.00 -0.69 0.00 0.00 174.62 174.16 2k54 s ARG 69 N 0.76 0.28 -0.11 4.92 1.70 -1.26 -0.66 118.95 124.58 2k54 s ARG 69 Ca -0.05 0.01 0.03 0.00 -0.47 0.00 0.00 55.73 55.26 2k54 s ARG 69 Cb -0.06 -0.40 0.01 0.00 -0.57 0.00 0.00 34.95 33.93 2k54 s ARG 69 CO -0.05 -0.07 -0.21 0.14 -1.08 0.00 0.00 175.30 174.03 2k54 s VAL 70 N 0.64 1.89 -0.17 4.99 -7.23 -0.35 -4.99 120.40 115.19 2k54 s VAL 70 Ca -0.06 -0.91 -0.04 0.00 -1.81 0.00 0.00 61.98 59.16 2k54 s VAL 70 Cb -0.09 -1.66 -0.03 0.00 0.56 0.00 0.00 36.38 35.16 2k54 s VAL 70 CO -0.01 0.52 -0.02 -0.51 -0.31 0.00 0.00 175.10 174.77 2k54 s ILE 71 N 0.58 3.95 -0.42 -0.62 2.07 -1.26 -0.97 121.20 124.53 2k54 s ILE 71 Ca -0.14 -0.33 0.03 0.00 -1.41 0.00 0.00 60.65 58.80 2k54 s ILE 71 Cb -0.17 -2.74 0.12 0.00 0.13 0.00 0.00 42.46 39.80 2k54 s ILE 71 CO 0.04 0.48 0.17 0.54 -1.91 0.00 0.00 174.94 174.26 2k54 s VAL 72 N 0.50 1.98 0.00 4.00 0.11 -0.17 -5.01 120.40 121.81 2k54 s VAL 72 Ca -0.03 -2.58 0.00 0.00 -2.93 0.00 0.00 61.98 56.45 2k54 s VAL 72 Cb -0.14 -2.42 0.00 0.00 -1.53 0.00 0.00 36.38 32.29 2k54 s VAL 72 CO 0.03 -0.74 0.00 0.61 -3.33 0.00 0.00 175.10 171.66 2k54 n GLY 73 N 3.80 1.56 0.34 6.54 0.00 -1.26 -2.36 105.19 113.81 2k54 n GLY 73 Ca 0.04 0.38 0.14 0.00 0.00 0.00 0.00 46.02 46.59 2k54 n GLY 73 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2k54 n ASN 74 N 11.73 1.11 -4.12 1.61 5.15 -1.26 -4.86 115.26 124.62 2k54 n ASN 74 Ca 0.00 -1.26 -0.23 0.00 -0.60 0.00 0.00 54.58 52.50 2k54 n ASN 74 Cb 0.00 0.01 -0.15 0.00 -0.53 0.00 0.00 39.78 39.11 2k54 n ASN 74 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2k54 s VAL 75 N -2.11 1.15 -0.05 3.44 1.01 -1.00 -2.72 120.40 120.13 2k54 s VAL 75 Ca 0.37 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.75 2k54 s VAL 75 Cb 0.21 -0.96 -0.00 0.00 0.00 0.00 0.00 36.38 35.62 2k54 s VAL 75 CO 0.38 0.32 -0.18 -0.69 0.00 0.00 0.00 175.10 174.93 2k54 s VAL 76 N -0.36 1.50 -0.45 2.92 1.01 -1.08 -1.00 120.40 122.94 2k54 s VAL 76 Ca 0.06 -0.75 -0.16 0.00 0.00 0.00 0.00 61.98 61.13 2k54 s VAL 76 Cb -0.06 -1.29 0.05 0.00 0.00 0.00 0.00 36.38 35.08 2k54 s VAL 76 CO -0.00 0.43 0.38 -0.63 0.00 0.00 0.00 175.10 175.27 2k54 s ILE 77 N 0.08 5.22 -0.46 2.22 1.01 -0.14 -1.64 121.20 127.48 2k54 s ILE 77 Ca -0.05 -0.87 -0.23 0.00 0.00 0.00 0.00 60.65 59.50 2k54 s ILE 77 Cb -0.12 -4.07 0.03 0.00 0.01 0.00 0.00 42.46 38.31 2k54 s ILE 77 CO 0.03 -0.49 0.78 -1.81 0.00 0.00 0.00 174.94 173.45 2k54 s ASP 78 N 2.26 6.39 -0.42 3.58 1.11 -0.21 -1.21 116.67 128.17 2k54 s ASP 78 Ca 0.05 -0.20 -0.16 0.00 0.18 0.00 0.00 52.55 52.43 2k54 s ASP 78 Cb -0.22 -2.38 0.02 0.00 1.07 0.00 0.00 42.92 41.41 2k54 s ASP 78 CO 0.08 -0.94 0.36 -2.28 1.18 0.00 0.00 175.17 173.57 2k54 s HIS 79 N 3.30 3.21 0.17 4.23 2.46 0.16 -1.25 115.29 127.56 2k54 s HIS 79 Ca 0.29 -0.53 0.06 0.00 0.47 0.00 0.00 55.06 55.35 2k54 s HIS 79 Cb -0.13 -2.74 -0.04 0.00 -0.13 0.00 0.00 32.58 29.54 2k54 s HIS 79 CO 0.22 -0.65 -0.12 -1.83 -2.47 0.00 0.00 174.74 169.88 2k54 s GLU 80 N 1.86 1.16 -0.35 2.88 4.04 -1.09 -2.65 118.70 124.54 2k54 s GLU 80 Ca 0.08 -1.48 -0.08 0.00 0.04 0.00 0.00 54.97 53.53 2k54 s GLU 80 Cb -0.19 -0.86 0.03 0.00 0.02 0.00 0.00 34.13 33.14 2k54 s GLU 80 CO 0.11 0.13 0.15 0.99 -1.84 0.00 0.00 175.26 174.80 2k54 s THR 81 N -3.02 4.11 -0.64 1.83 2.01 -0.57 -1.37 115.64 117.99 2k54 s THR 81 Ca 0.18 -1.02 -0.27 0.00 0.31 0.00 0.00 61.69 60.89 2k54 s THR 81 Cb 0.00 -3.32 0.04 0.00 0.01 0.00 0.00 72.50 69.23 2k54 s THR 81 CO 0.03 -0.20 1.16 -0.69 -0.69 0.00 0.00 174.62 174.23 2k54 s VAL 82 N 1.47 4.00 0.13 3.82 1.01 -0.01 -1.76 120.40 129.05 2k54 s VAL 82 Ca -0.00 0.51 -0.31 0.00 0.00 0.00 0.00 61.98 62.17 2k54 s VAL 82 Cb -0.19 -4.76 -0.09 0.00 0.00 0.00 0.00 36.38 31.33 2k54 s VAL 82 CO 0.04 -1.51 1.48 -0.89 0.00 0.00 0.00 175.10 174.23 2k54 s THR 83 N 5.00 3.00 0.00 3.92 2.01 0.21 -1.03 115.64 128.75 2k54 s THR 83 Ca 0.36 0.70 0.00 0.00 0.31 0.00 0.00 61.69 63.06 2k54 s THR 83 Cb -0.09 -3.45 0.00 0.00 0.01 0.00 0.00 72.50 68.97 2k54 s THR 83 CO 0.19 0.05 0.00 0.54 -0.69 0.00 0.00 174.62 174.71 2k54 n ARG 84 N 4.10 1.12 -3.66 4.92 1.74 -1.00 -3.13 116.66 120.75 2k54 n ARG 84 Ca 0.13 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.93 2k54 n ARG 84 Cb 0.41 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.73 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 0.49 3.27 0.02 0.55 3.84 -1.24 -4.13 114.94 117.74 2k54 s ASN 85 Ca 0.00 -3.16 -0.19 0.00 0.21 0.00 0.00 52.86 49.72 2k54 s ASN 85 Cb 0.00 -1.02 -0.06 0.00 -0.55 0.00 0.00 41.25 39.63 2k54 s ASN 85 CO 0.00 -0.18 0.54 -0.36 -2.79 0.00 0.00 177.10 174.31 2k54 s PHE 86 N -0.31 3.74 -2.00 0.43 0.08 -0.69 -4.96 117.98 114.26 2k54 s PHE 86 Ca 0.25 1.17 0.04 0.00 0.12 0.00 0.00 56.93 58.50 2k54 s PHE 86 Cb -0.09 -2.49 0.22 0.00 -0.57 0.00 0.00 43.02 40.09 2k54 s PHE 86 CO -0.12 0.50 0.79 -0.35 -0.10 0.00 0.00 175.22 175.94 2k54 n PRO 87 N 2.17 0.62 0.08 0.24 -0.04 -1.26 -1.70 135.00 135.10 2k54 n PRO 87 Ca -0.10 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.27 2k54 n PRO 87 Cb 0.51 -1.09 -0.03 0.00 -0.04 0.00 0.00 33.50 32.85 2k54 n PRO 87 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2k54 h GLU 88 N 0.00 0.18 0.00 0.54 4.39 -2.02 -3.50 114.58 114.18 2k54 h GLU 88 Ca 0.00 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.48 2k54 h GLU 88 Cb 0.00 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 2k54 h GLU 88 CO 0.00 0.98 0.00 0.41 -1.16 0.00 0.00 179.01 179.24 2k54 n GLY 89 N 0.99 -1.55 0.00 -3.84 0.00 -0.69 -4.95 105.19 95.15 2k54 n GLY 89 Ca -0.04 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.63 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 -4.53 118.16 116.99 2k54 n LYS 90 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2k54 n LYS 90 Cb 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 35.03 34.57 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 2.16 1.98 3.81 3.14 0.00 -1.25 -1.70 105.19 113.32 2k54 n GLY 91 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2k54 n GLY 91 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k54 s GLU 92 N -0.11 4.25 -0.07 1.61 1.03 -1.08 -2.39 118.70 121.94 2k54 s GLU 92 Ca 0.00 0.80 0.02 0.00 0.03 0.00 0.00 54.97 55.82 2k54 s GLU 92 Cb 0.00 -3.18 0.01 0.00 -0.80 0.00 0.00 34.13 30.17 2k54 s GLU 92 CO 0.00 0.59 -0.14 0.14 -1.33 0.00 0.00 175.26 174.52 2k54 s VAL 93 N -1.19 1.27 -0.43 1.83 -7.23 -0.20 -1.17 120.40 113.27 2k54 s VAL 93 Ca 0.32 -0.55 -0.29 0.00 -1.81 0.00 0.00 61.98 59.66 2k54 s VAL 93 Cb -0.19 -1.15 0.02 0.00 0.56 0.00 0.00 36.38 35.61 2k54 s VAL 93 CO 0.21 0.39 1.28 -1.81 -0.31 0.00 0.00 175.10 174.85 2k54 s ASP 94 N 0.69 6.49 0.21 4.85 1.01 -1.24 -0.83 116.67 127.85 2k54 s ASP 94 Ca -0.14 0.69 0.09 0.00 0.71 0.00 0.00 52.55 53.90 2k54 s ASP 94 Cb -0.16 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.18 2k54 s ASP 94 CO 0.04 -1.33 -0.07 -0.69 0.21 0.00 0.00 175.17 173.33 2k54 s VAL 95 N 4.92 3.25 -0.28 -1.27 1.01 -0.47 -0.37 120.40 127.19 2k54 s VAL 95 Ca 0.55 -1.78 -0.00 0.00 0.00 0.00 0.00 61.98 60.75 2k54 s VAL 95 Cb -0.11 -2.66 0.09 0.00 0.00 0.00 0.00 36.38 33.70 2k54 s VAL 95 CO 0.31 -0.21 0.06 0.00 0.00 0.00 0.00 175.10 175.26 2k54 s ALA 96 N -1.95 1.69 -0.39 5.51 0.00 -0.38 -2.67 121.76 123.56 2k54 s ALA 96 Ca 0.27 -1.56 -0.17 0.00 0.00 0.00 0.00 51.96 50.50 2k54 s ALA 96 Cb -0.08 -1.56 0.01 0.00 0.00 0.00 0.00 23.12 21.49 2k54 s ALA 96 CO 0.17 -1.51 0.43 0.00 0.00 0.00 0.00 175.76 174.85 2k54 s ILE 98 N 2.16 4.73 -0.14 0.00 2.07 0.28 -1.04 121.20 129.26 2k54 s ILE 98 Ca 0.13 -0.75 -0.05 0.00 -1.41 0.00 0.00 60.65 58.57 2k54 s ILE 98 Cb -0.17 -3.61 -0.04 0.00 0.13 0.00 0.00 42.46 38.78 2k54 s ILE 98 CO 0.13 -0.21 0.03 -0.31 -1.91 0.00 0.00 174.94 172.67 2k54 s TYR 99 N 1.59 3.19 -0.28 3.50 2.02 -0.65 -1.55 117.35 125.17 2k54 s TYR 99 Ca 0.03 0.05 -0.11 0.00 -0.37 0.00 0.00 57.07 56.67 2k54 s TYR 99 Cb -0.19 -1.95 -0.05 0.00 -0.40 0.00 0.00 41.96 39.37 2k54 s TYR 99 CO 0.07 0.24 0.18 -2.00 -1.57 0.00 0.00 175.55 172.48 2k54 s GLU 100 N -0.11 3.90 -0.28 -0.62 2.12 -0.10 -2.64 118.70 120.97 2k54 s GLU 100 Ca 0.05 -0.35 -0.05 0.00 0.36 0.00 0.00 54.97 54.97 2k54 s GLU 100 Cb -0.12 -3.65 0.01 0.00 0.26 0.00 0.00 34.13 30.63 2k54 s GLU 100 CO 0.02 -0.20 0.04 0.08 -0.54 0.00 0.00 175.26 174.65 2k54 s VAL 101 N 1.75 3.66 -0.14 3.70 1.01 -1.10 -1.45 120.40 127.82 2k54 s VAL 101 Ca 0.07 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.31 2k54 s VAL 101 Cb -0.16 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.36 2k54 s VAL 101 CO 0.10 0.13 -0.20 -0.70 0.00 0.00 0.00 175.10 174.43 2k54 s GLU 102 N 1.45 3.10 -1.65 2.72 2.56 0.38 -4.67 118.70 122.60 2k54 s GLU 102 Ca 0.02 -0.82 -0.00 0.00 0.00 0.00 0.00 54.97 54.17 2k54 s GLU 102 Cb -0.17 -2.47 0.00 0.00 2.00 0.00 0.00 34.13 33.49 2k54 s GLU 102 CO 0.00 0.05 0.03 0.09 -0.56 0.00 0.00 175.26 174.87 2k54 n ASN 103 N 3.93 -5.59 0.00 -1.70 3.02 -1.26 -2.19 115.26 111.47 2k54 n ASN 103 Ca -0.19 -0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.33 2k54 n ASN 103 Cb 0.52 -4.62 0.00 0.00 -0.61 0.00 0.00 39.78 35.07 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 -1.04 0.99 3.37 7.41 0.00 -1.26 -5.02 105.19 109.64 2k54 n GLY 104 Ca -0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.02 2.43 -0.44 1.61 1.81 -0.93 -4.73 118.95 118.68 2k54 s ARG 105 Ca 0.00 -0.82 -0.28 0.00 -1.72 0.00 0.00 55.73 52.91 2k54 s ARG 105 Cb 0.00 -2.23 -0.02 0.00 -0.45 0.00 0.00 34.95 32.25 2k54 s ARG 105 CO 0.00 0.53 1.83 0.42 -0.68 0.00 0.00 175.30 177.40 2k54 s ILE 106 N -0.51 3.43 0.14 1.52 1.01 -0.70 -0.47 121.20 125.62 2k54 s ILE 106 Ca 0.07 0.38 0.03 0.00 0.00 0.00 0.00 60.65 61.13 2k54 s ILE 106 Cb -0.11 -3.74 -0.19 0.00 0.01 0.00 0.00 42.46 38.42 2k54 s ILE 106 CO 0.01 -0.58 1.30 0.00 0.00 0.00 0.00 174.94 175.67 2k54 h ALA 107 N 13.83 0.39 -2.79 9.38 0.00 -1.51 -1.02 119.26 137.54 2k54 h ALA 107 Ca -0.30 -0.82 -0.14 0.00 0.00 0.00 0.00 54.91 53.66 2k54 h ALA 107 Cb 1.17 -0.09 -0.26 0.00 0.00 0.00 0.00 17.79 18.61 2k54 h ALA 107 CO 1.11 1.04 -0.32 0.15 0.00 0.00 0.00 179.25 181.22 2k54 s LYS 108 N -2.93 0.38 -0.05 0.00 1.02 -1.12 -2.08 119.74 114.96 2k54 s LYS 108 Ca -0.02 0.63 0.02 0.00 0.02 0.00 0.00 55.97 56.63 2k54 s LYS 108 Cb 0.10 0.06 0.01 0.00 -0.52 0.00 0.00 37.83 37.47 2k54 s LYS 108 CO 0.83 -0.11 -0.11 0.00 -0.92 0.00 0.00 175.35 175.04 2k54 s ALA 109 N 0.87 1.07 0.05 5.17 0.00 -0.51 -0.93 121.76 127.49 2k54 s ALA 109 Ca -0.05 -0.36 0.04 0.00 0.00 0.00 0.00 51.96 51.59 2k54 s ALA 109 Cb -0.06 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.57 2k54 s ALA 109 CO -0.07 0.12 -0.12 -1.58 0.00 0.00 0.00 175.76 174.12 2k54 s TRP 110 N 0.49 1.02 -0.00 0.00 0.51 -0.59 -0.97 118.94 119.39 2k54 s TRP 110 Ca -0.10 -0.43 -0.04 0.00 -2.12 0.00 0.00 56.10 53.42 2k54 s TRP 110 Cb -0.13 -0.59 -0.00 0.00 -0.81 0.00 0.00 33.47 31.94 2k54 s TRP 110 CO 0.02 0.01 0.07 -0.59 -0.51 0.00 0.00 176.95 175.95 2k54 s PHE 111 N -1.16 0.06 -0.11 -1.98 -0.71 -1.14 -0.55 117.98 112.38 2k54 s PHE 111 Ca -0.03 -0.13 0.03 0.00 -1.04 0.00 0.00 56.93 55.76 2k54 s PHE 111 Cb -0.09 -0.06 0.01 0.00 -1.21 0.00 0.00 43.02 41.66 2k54 s PHE 111 CO 0.01 -0.18 -0.21 -1.59 -1.34 0.00 0.00 175.22 171.91 2k54 s LYS 112 N -0.94 2.85 -0.18 1.99 -2.85 -0.88 -1.72 119.74 118.03 2k54 s LYS 112 Ca -0.10 -0.80 -0.20 0.00 -1.00 0.00 0.00 55.97 53.86 2k54 s LYS 112 Cb -0.06 -2.24 -0.03 0.00 -2.06 0.00 0.00 37.83 33.44 2k54 s LYS 112 CO 0.00 0.07 0.60 0.42 0.10 0.00 0.00 175.35 176.54 2k54 s ILE 113 N 0.61 5.06 0.00 3.79 1.01 -1.26 -1.24 121.20 129.16 2k54 s ILE 113 Ca -0.13 1.14 0.00 0.00 0.00 0.00 0.00 60.65 61.66 2k54 s ILE 113 Cb -0.17 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.38 2k54 s ILE 113 CO 0.03 0.16 0.64 0.61 0.00 0.00 0.00 174.94 176.38 2k54 n GLY 114 N 3.68 -2.02 3.85 6.18 0.00 0.51 -4.99 105.19 112.40 2k54 n GLY 114 Ca -0.03 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.88 1.74 -0.07 1.61 -1.05 -1.25 -5.05 118.70 112.75 2k54 s GLU 115 Ca 0.00 -0.97 -0.30 0.00 -0.15 0.00 0.00 54.97 53.55 2k54 s GLU 115 Cb 0.00 0.59 -0.03 0.00 -0.44 0.00 0.00 34.13 34.24 2k54 s GLU 115 CO 0.00 -0.80 1.29 -1.25 0.95 0.00 0.00 175.26 175.45 2k54 s PRO 116 N -3.80 4.30 0.06 -4.83 0.04 -1.26 -3.69 135.00 125.81 2k54 s PRO 116 Ca 0.11 1.77 0.04 0.00 0.04 0.00 0.00 61.00 62.96 2k54 s PRO 116 Cb -0.05 -3.63 -0.04 0.00 0.04 0.00 0.00 34.50 30.82 2k54 s PRO 116 CO 0.07 -0.56 -0.04 1.03 0.04 0.00 0.00 177.00 177.54 2k54 s ARG 117 N 2.65 2.51 -0.03 4.56 1.81 -0.32 -5.03 118.95 125.09 2k54 s ARG 117 Ca 0.58 -0.81 -0.00 0.00 -1.72 0.00 0.00 55.73 53.78 2k54 s ARG 117 Cb -0.26 -2.50 0.03 0.00 -0.45 0.00 0.00 34.95 31.76 2k54 s ARG 117 CO 0.22 0.56 0.02 0.42 -0.68 0.00 0.00 175.30 175.84 2k54 s ILE 118 N -1.17 0.03 0.42 1.52 -1.09 -1.26 -2.62 121.20 117.02 2k54 s ILE 118 Ca 0.22 0.21 0.13 0.00 -2.23 0.00 0.00 60.65 58.97 2k54 s ILE 118 Cb -0.11 -0.18 0.16 0.00 -1.58 0.00 0.00 42.46 40.75 2k54 s ILE 118 CO 0.13 0.13 1.94 0.58 -1.23 0.00 0.00 174.94 176.49 2k54 h VAL 119 N 6.30 1.17 -0.07 2.92 2.07 -1.96 -1.78 116.25 124.90 2k54 h VAL 119 Ca -0.38 -0.79 -0.10 0.00 0.82 0.00 0.00 66.70 66.26 2k54 h VAL 119 Cb 1.12 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 2k54 h VAL 119 CO 0.41 0.23 -0.39 -1.28 0.02 0.00 0.00 177.57 176.56 2k54 h SER 120 N 0.06 0.16 0.43 0.57 0.87 -1.97 -3.07 113.55 110.60 2k54 h SER 120 Ca 0.01 -0.06 -0.31 0.00 -1.23 0.00 0.00 61.79 60.20 2k54 h SER 120 Cb 0.40 -0.04 0.01 0.00 -0.44 0.00 0.00 62.40 62.32 2k54 h SER 120 CO 0.03 0.54 -1.46 -0.61 -0.53 0.00 0.00 176.83 174.80 2k54 h GLN 121 N 0.13 0.35 -4.44 2.24 4.15 -1.82 -3.43 115.11 112.30 2k54 h GLN 121 Ca 0.01 -0.59 -0.73 0.00 0.77 0.00 0.00 58.65 58.11 2k54 h GLN 121 Cb 0.76 0.22 -0.22 0.00 0.21 0.00 0.00 27.48 28.45 2k54 h GLN 121 CO 0.06 1.25 -0.17 0.21 -1.93 0.00 0.00 178.83 178.25 2k54 s LYS 122 N -2.62 3.02 0.00 1.69 2.36 -0.72 -5.08 119.74 118.39 2k54 s LYS 122 Ca -0.08 -1.34 0.00 0.00 -2.55 0.00 0.00 55.97 52.00 2k54 s LYS 122 Cb 0.06 -4.18 0.00 0.00 -1.05 0.00 0.00 37.83 32.66 2k54 s LYS 122 CO 0.89 -1.20 0.24 0.43 1.55 0.00 0.00 175.35 177.25