#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 5.36 -0.03 6.12 4.13 -1.26 -4.81 115.26 124.76 2k54 n ASN 2 Ca 0.00 -3.11 -0.09 0.00 1.68 0.00 0.00 54.58 53.06 2k54 n ASN 2 Cb 0.00 -1.47 -0.03 0.00 -1.54 0.00 0.00 39.78 36.74 2k54 n ASN 2 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 2k54 h SER 3 N 5.63 -0.07 0.00 6.41 0.02 -1.98 -1.78 113.55 121.78 2k54 h SER 3 Ca 0.43 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 2k54 h SER 3 Cb 0.60 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.20 2k54 h SER 3 CO 1.62 -0.01 0.12 1.05 -1.14 0.00 0.00 176.83 178.48 2k54 h GLU 4 N 0.06 0.00 0.02 3.45 4.11 -1.98 -0.25 114.58 119.99 2k54 h GLU 4 Ca 0.08 0.00 -0.36 0.00 0.07 0.00 0.00 59.36 59.15 2k54 h GLU 4 Cb 0.10 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.29 2k54 h GLU 4 CO -0.14 0.00 -2.19 -0.89 0.07 0.00 0.00 179.01 175.86 2k54 n ILE 5 N -2.62 1.53 0.11 -1.06 2.08 -0.74 -4.51 119.36 114.15 2k54 n ILE 5 Ca -0.02 -0.73 0.02 0.00 0.56 0.00 0.00 62.75 62.58 2k54 n ILE 5 Cb 0.17 -1.07 -0.01 0.00 -0.75 0.00 0.00 39.64 37.99 2k54 n ILE 5 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 2k54 h GLU 6 N 0.01 0.00 0.23 0.38 5.08 -0.35 -3.28 114.58 116.65 2k54 h GLU 6 Ca -0.48 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.87 2k54 h GLU 6 Cb 2.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.32 2k54 h GLU 6 CO 0.02 0.39 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.24 2k54 h LEU 7 N 0.00 -0.26 -0.33 1.33 3.38 -1.35 -1.96 115.31 116.12 2k54 h LEU 7 Ca -0.05 -0.21 0.07 0.00 0.09 0.00 0.00 57.88 57.78 2k54 h LEU 7 Cb 1.42 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 42.17 2k54 h LEU 7 CO 0.05 0.09 -0.12 1.55 0.09 0.00 0.00 178.44 180.10 2k54 h PRO 8 N -0.64 -0.05 -0.37 1.13 0.13 -1.80 -2.52 132.00 127.88 2k54 h PRO 8 Ca -0.03 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.16 2k54 h PRO 8 Cb 0.46 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 31.54 2k54 h PRO 8 CO 0.05 -0.03 0.04 0.28 -0.23 0.00 0.00 178.00 178.11 2k54 h VAL 9 N -0.05 0.77 -0.20 1.56 2.07 -1.62 -1.57 116.25 117.20 2k54 h VAL 9 Ca 0.16 -0.05 -0.08 0.00 0.82 0.00 0.00 66.70 67.55 2k54 h VAL 9 Cb 0.30 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 2k54 h VAL 9 CO -0.37 0.03 -0.20 -0.61 0.02 0.00 0.00 177.57 176.44 2k54 h GLN 10 N 0.15 0.50 -0.36 1.57 -0.00 -1.22 -2.78 115.11 112.97 2k54 h GLN 10 Ca 0.18 -0.26 -0.08 0.00 -0.00 0.00 0.00 58.65 58.49 2k54 h GLN 10 Cb 0.23 0.01 -0.02 0.00 0.00 0.00 0.00 27.48 27.70 2k54 h GLN 10 CO -0.27 0.84 -0.09 0.87 0.00 0.00 0.00 178.83 180.18 2k54 h LYS 11 N 0.17 0.62 -0.05 1.69 1.79 -1.33 -2.69 116.57 116.76 2k54 h LYS 11 Ca 0.03 -0.18 0.01 0.00 -2.18 0.00 0.00 60.65 58.33 2k54 h LYS 11 Cb 0.75 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.33 2k54 h LYS 11 CO 0.05 0.70 0.01 1.96 -1.08 0.00 0.00 179.45 181.09 2k54 h GLN 12 N 0.57 0.03 -0.07 3.15 4.20 -1.27 -2.09 115.11 119.64 2k54 h GLN 12 Ca 0.11 -0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.84 2k54 h GLN 12 Cb 0.50 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.24 2k54 h GLN 12 CO 0.03 0.02 -0.13 1.25 -0.67 0.00 0.00 178.83 179.33 2k54 h LEU 13 N 0.03 -0.39 -0.42 1.46 5.85 -1.19 0.48 115.31 121.13 2k54 h LEU 13 Ca 0.02 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.86 2k54 h LEU 13 Cb 0.02 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 2k54 h LEU 13 CO -0.03 -0.18 0.17 -0.33 -0.34 0.00 0.00 178.44 177.73 2k54 h GLU 14 N -0.19 0.34 0.00 1.25 4.39 -1.55 -2.52 114.58 116.30 2k54 h GLU 14 Ca 0.07 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.70 2k54 h GLU 14 Cb 0.28 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2k54 h GLU 14 CO -0.18 0.23 -0.23 0.00 -1.16 0.00 0.00 179.01 177.67 2k54 h ALA 15 N 1.25 1.25 -0.04 3.43 0.00 -0.62 -2.23 119.26 122.31 2k54 h ALA 15 Ca 0.19 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2k54 h ALA 15 Cb 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2k54 h ALA 15 CO -0.17 0.29 -0.09 -0.92 0.00 0.00 0.00 179.25 178.36 2k54 h TYR 16 N 0.00 0.16 0.00 0.00 3.20 0.39 0.29 116.97 121.01 2k54 h TYR 16 Ca -0.00 -0.06 -0.20 0.00 3.14 0.00 0.00 58.73 61.61 2k54 h TYR 16 Cb 0.54 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.76 2k54 h TYR 16 CO 0.00 0.69 -0.98 -2.95 -1.64 0.00 0.00 178.16 173.28 2k54 h ASN 17 N -0.41 0.00 0.24 -2.11 7.08 -1.56 -3.17 115.58 115.64 2k54 h ASN 17 Ca -0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2k54 h ASN 17 Cb 0.69 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.93 2k54 h ASN 17 CO 0.02 0.91 -0.10 0.00 -2.08 0.00 0.00 177.43 176.18 2k54 n ALA 18 N -2.35 2.77 -1.06 4.14 0.00 -0.84 -4.94 120.51 118.22 2k54 n ALA 18 Ca -0.01 -0.31 -0.02 0.00 0.00 0.00 0.00 53.44 53.09 2k54 n ALA 18 Cb 0.91 -1.30 -0.01 0.00 0.00 0.00 0.00 19.45 19.06 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 -0.72 -0.75 -2.21 0.00 5.12 -0.10 -4.96 116.66 113.04 2k54 n ARG 19 Ca 0.16 0.36 -0.37 0.00 -1.93 0.00 0.00 57.85 56.07 2k54 n ARG 19 Cb 0.28 -4.03 -0.03 0.00 -1.16 0.00 0.00 32.46 27.52 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 -2.24 5.57 0.40 0.55 1.11 0.83 -4.84 116.67 118.04 2k54 s ASP 20 Ca 0.00 -0.27 0.14 0.00 0.18 0.00 0.00 52.55 52.60 2k54 s ASP 20 Cb 0.00 -2.55 0.83 0.00 1.07 0.00 0.00 42.92 42.27 2k54 s ASP 20 CO 0.00 -2.25 1.88 0.40 1.18 0.00 0.00 175.17 176.39 2k54 h ILE 21 N 6.78 1.19 -0.19 0.77 1.08 -1.93 -2.52 117.51 122.69 2k54 h ILE 21 Ca -0.13 -1.05 0.01 0.00 -0.39 0.00 0.00 64.86 63.30 2k54 h ILE 21 Cb 1.09 1.57 -0.02 0.00 -3.07 0.00 0.00 36.82 36.39 2k54 h ILE 21 CO 1.25 0.30 0.09 0.44 -0.69 0.00 0.00 178.15 179.54 2k54 h ASP 22 N 0.00 0.12 0.92 1.72 5.19 -1.96 -0.05 116.42 122.37 2k54 h ASP 22 Ca -0.00 0.01 -0.22 0.00 -0.62 0.00 0.00 57.03 56.19 2k54 h ASP 22 Cb 0.55 -0.01 -0.03 0.00 0.18 0.00 0.00 39.33 40.01 2k54 h ASP 22 CO 0.04 0.10 -1.11 0.00 -3.12 0.00 0.00 179.24 175.15 2k54 h ALA 23 N 1.10 0.41 0.00 3.45 0.00 -1.92 -0.59 119.26 121.70 2k54 h ALA 23 Ca 0.08 -0.99 0.00 0.00 0.00 0.00 0.00 54.91 54.00 2k54 h ALA 23 Cb 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2k54 h ALA 23 CO -0.06 1.29 0.00 0.34 0.00 0.00 0.00 179.25 180.82 2k54 n PHE 24 N -3.31 0.00 -0.03 0.00 7.35 -0.95 -3.15 117.46 117.37 2k54 n PHE 24 Ca -0.03 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.63 2k54 n PHE 24 Cb 0.96 -0.39 -0.05 0.00 0.35 0.00 0.00 39.48 40.35 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 -1.39 2.89 -0.12 -4.13 1.56 -0.05 -4.82 117.12 111.05 2k54 n MET 25 Ca 0.07 -0.00 0.16 0.00 -0.27 0.00 0.00 57.70 57.66 2k54 n MET 25 Cb 0.19 -1.15 0.54 0.00 2.15 0.00 0.00 33.22 34.95 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 0.27 2.18 -0.67 -5.12 0.00 -1.05 -2.01 119.26 112.86 2k54 h ALA 26 Ca -0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2k54 h ALA 26 Cb 1.36 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2k54 h ALA 26 CO 0.01 -0.36 0.00 0.91 0.00 0.00 0.00 179.25 179.80 2k54 n TRP 27 N -4.46 1.45 -4.08 0.00 7.02 -1.26 -4.93 117.44 111.19 2k54 n TRP 27 Ca 0.13 -0.59 -0.25 0.00 -1.02 0.00 0.00 57.50 55.76 2k54 n TRP 27 Cb 0.52 -0.22 -0.05 0.00 -2.42 0.00 0.00 31.31 29.15 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 -1.75 3.15 0.30 -5.99 0.52 -0.76 -1.56 118.94 112.86 2k54 s TRP 28 Ca 0.52 -0.03 -0.17 0.00 0.02 0.00 0.00 56.10 56.44 2k54 s TRP 28 Cb 0.32 -1.50 -0.09 0.00 -1.15 0.00 0.00 33.47 31.06 2k54 s TRP 28 CO 0.26 0.52 0.75 0.00 0.02 0.00 0.00 176.95 178.50 2k54 s ALA 29 N -1.82 3.33 0.50 0.98 0.00 -0.46 -4.60 121.76 119.69 2k54 s ALA 29 Ca 0.31 0.10 0.17 0.00 0.00 0.00 0.00 51.96 52.55 2k54 s ALA 29 Cb -0.10 -2.81 1.23 0.00 0.00 0.00 0.00 23.12 21.44 2k54 s ALA 29 CO 0.24 0.32 2.08 0.22 0.00 0.00 0.00 175.76 178.61 2k54 h ASP 30 N 2.58 0.10 -0.50 0.00 3.58 -1.97 -2.15 116.42 118.06 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 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.21 2k54 h ASP 30 CO 0.65 0.07 0.00 0.47 -2.88 0.00 0.00 179.24 177.55 2k54 n ASP 31 N -4.48 5.15 -4.73 2.28 9.92 -1.26 -1.65 116.55 121.78 2k54 n ASP 31 Ca 0.03 -2.89 -0.42 0.00 -0.53 0.00 0.00 54.79 50.97 2k54 n ASP 31 Cb 0.26 -0.63 -0.03 0.00 -0.64 0.00 0.00 41.12 40.08 2k54 n ASP 31 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k54 s GLN 33 N 0.46 2.90 -0.38 0.00 -1.52 -0.76 -0.67 119.66 119.68 2k54 s GLN 33 Ca 0.66 -1.37 -0.17 0.00 -1.95 0.00 0.00 55.36 52.54 2k54 s GLN 33 Cb -0.44 -4.05 0.01 0.00 -0.22 0.00 0.00 33.01 28.30 2k54 s GLN 33 CO 0.37 -1.01 0.42 -0.47 -0.25 0.00 0.00 175.29 174.35 2k54 s TYR 34 N 1.60 3.18 0.15 0.91 5.04 -0.18 -1.41 117.35 126.64 2k54 s TYR 34 Ca 0.04 -0.19 0.07 0.00 -2.44 0.00 0.00 57.07 54.55 2k54 s TYR 34 Cb -0.24 -2.82 -0.04 0.00 0.35 0.00 0.00 41.96 39.22 2k54 s TYR 34 CO 0.06 -0.58 0.00 0.71 -1.34 0.00 0.00 175.55 174.39 2k54 s TYR 35 N 2.12 2.88 0.08 4.97 1.51 -0.09 -1.39 117.35 127.44 2k54 s TYR 35 Ca 0.13 -0.11 0.02 0.00 -1.01 0.00 0.00 57.07 56.09 2k54 s TYR 35 Cb -0.17 -1.42 -0.04 0.00 -0.11 0.00 0.00 41.96 40.23 2k54 s TYR 35 CO 0.13 0.50 0.17 0.00 -1.11 0.00 0.00 175.55 175.25 2k54 s ALA 36 N -1.62 3.84 0.07 3.71 0.00 -0.26 -3.07 121.76 124.43 2k54 s ALA 36 Ca 0.27 -0.94 -0.36 0.00 0.00 0.00 0.00 51.96 50.92 2k54 s ALA 36 Cb -0.10 -1.67 -0.16 0.00 0.00 0.00 0.00 23.12 21.20 2k54 s ALA 36 CO 0.18 0.75 1.47 1.97 0.00 0.00 0.00 175.76 180.13 2k54 n PHE 37 N 0.19 1.81 0.11 0.00 -1.74 -0.57 -0.76 117.46 116.51 2k54 n PHE 37 Ca -0.07 0.50 -0.18 0.00 -0.56 0.00 0.00 57.45 57.14 2k54 n PHE 37 Cb 0.52 -2.42 -0.13 0.00 1.52 0.00 0.00 39.48 38.97 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 5.40 0.39 -1.27 3.97 0.13 -1.98 -3.43 132.00 135.20 2k54 h PRO 38 Ca -0.47 -0.61 -0.22 0.00 -0.87 0.00 0.00 66.00 63.83 2k54 h PRO 38 Cb 1.31 0.22 -0.21 0.00 0.13 0.00 0.00 31.00 32.45 2k54 h PRO 38 CO 0.83 1.28 -0.58 0.00 -0.23 0.00 0.00 178.00 179.30 2k54 s ALA 39 N -2.75 -1.48 -0.33 -0.56 0.00 -0.49 -4.96 121.76 111.19 2k54 s ALA 39 Ca -0.06 -0.71 0.03 0.00 0.00 0.00 0.00 51.96 51.23 2k54 s ALA 39 Cb 0.06 -2.50 0.10 0.00 0.00 0.00 0.00 23.12 20.78 2k54 s ALA 39 CO 0.90 -2.19 0.06 0.99 0.00 0.00 0.00 175.76 175.52 2k54 s THR 40 N 0.88 2.08 -0.61 0.00 2.01 0.06 -4.89 115.64 115.16 2k54 s THR 40 Ca 0.28 -2.20 -0.27 0.00 0.31 0.00 0.00 61.69 59.81 2k54 s THR 40 Cb -0.01 -2.54 -0.01 0.00 0.01 0.00 0.00 72.50 69.95 2k54 s THR 40 CO -0.07 -0.61 1.76 -0.22 -0.69 0.00 0.00 174.62 174.79 2k54 s LEU 41 N 1.01 3.29 -0.03 4.42 2.96 -1.26 -1.10 118.68 127.97 2k54 s LEU 41 Ca 0.11 0.29 -0.22 0.00 -0.22 0.00 0.00 54.13 54.09 2k54 s LEU 41 Cb -0.19 -2.62 -0.26 0.00 0.50 0.00 0.00 46.19 43.63 2k54 s LEU 41 CO -0.10 -2.24 1.01 -0.07 -1.32 0.00 0.00 176.35 173.63 2k54 h LEU 42 N 15.68 0.43 -7.46 -0.68 -0.00 -1.59 -3.45 115.31 118.23 2k54 h LEU 42 Ca -0.27 -0.83 -0.49 0.00 -0.00 0.00 0.00 57.88 56.29 2k54 h LEU 42 Cb 1.14 -0.13 -0.39 0.00 -0.00 0.00 0.00 40.66 41.29 2k54 h LEU 42 CO 1.21 1.21 -0.77 0.00 -0.00 0.00 0.00 178.44 180.09 2k54 s ALA 43 N -2.91 1.00 -0.76 1.53 0.00 -1.16 -4.99 121.76 114.47 2k54 s ALA 43 Ca -0.14 -0.48 -0.02 0.00 0.00 0.00 0.00 51.96 51.32 2k54 s ALA 43 Cb 0.02 -0.97 0.39 0.00 0.00 0.00 0.00 23.12 22.56 2k54 s ALA 43 CO 0.80 -0.75 2.01 0.41 0.00 0.00 0.00 175.76 178.23 2k54 n GLY 44 N 5.05 5.68 0.00 0.00 0.00 -1.26 -1.01 105.19 113.64 2k54 n GLY 44 Ca -0.09 -2.42 0.00 0.00 0.00 0.00 0.00 46.02 43.51 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 -0.69 0.00 0.13 1.61 0.23 0.15 -4.79 115.26 111.90 2k54 n ASN 45 Ca 0.57 0.00 0.01 0.00 -0.53 0.00 0.00 54.58 54.63 2k54 n ASN 45 Cb 0.42 0.00 0.32 0.00 -2.08 0.00 0.00 39.78 38.43 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 1.32 -0.56 -2.53 0.00 -1.43 -3.00 119.26 113.06 2k54 h ALA 46 Ca 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2k54 h ALA 46 Cb 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2k54 h ALA 46 CO 0.00 0.47 0.30 0.00 0.00 0.00 0.00 179.25 180.02 2k54 h ALA 47 N 1.54 0.71 -0.00 0.00 0.00 -1.92 -1.20 119.26 118.39 2k54 h ALA 47 Ca 0.02 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 2k54 h ALA 47 Cb 0.62 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2k54 h ALA 47 CO 0.05 0.24 -0.78 0.93 0.00 0.00 0.00 179.25 179.69 2k54 h GLU 48 N 0.75 0.05 -0.39 0.00 5.08 -1.94 -2.93 114.58 115.20 2k54 h GLU 48 Ca 0.19 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 2k54 h GLU 48 Cb 0.06 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2k54 h GLU 48 CO -0.03 0.80 0.16 0.82 -1.00 0.00 0.00 179.01 179.76 2k54 h ILE 49 N 0.03 1.19 0.51 3.13 2.04 -1.34 -2.06 117.51 121.02 2k54 h ILE 49 Ca -0.01 -0.60 -0.02 0.00 1.00 0.00 0.00 64.86 65.23 2k54 h ILE 49 Cb 1.37 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 2k54 h ILE 49 CO 0.11 0.22 -0.27 -0.09 0.00 0.00 0.00 178.15 178.11 2k54 h ARG 50 N 0.49 -0.70 -0.27 2.37 2.43 -1.20 -2.00 114.38 115.50 2k54 h ARG 50 Ca 0.13 0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.27 2k54 h ARG 50 Cb 0.19 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 2k54 h ARG 50 CO -0.01 -0.47 -0.18 -0.39 -1.51 0.00 0.00 179.97 177.41 2k54 h VAL 51 N -0.73 1.25 -0.09 0.20 -1.51 -1.55 0.11 116.25 113.94 2k54 h VAL 51 Ca -0.07 -1.13 -0.14 0.00 -1.23 0.00 0.00 66.70 64.14 2k54 h VAL 51 Cb 0.57 1.24 -0.01 0.00 -2.13 0.00 0.00 31.29 30.96 2k54 h VAL 51 CO 0.10 0.36 -0.56 -0.09 -1.23 0.00 0.00 177.57 176.15 2k54 h ARG 52 N 0.44 0.26 -0.02 5.19 9.65 -1.32 -2.17 114.38 126.41 2k54 h ARG 52 Ca 0.07 -0.17 -0.19 0.00 -1.10 0.00 0.00 59.98 58.59 2k54 h ARG 52 Cb 0.57 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.16 2k54 h ARG 52 CO 0.04 0.75 -0.83 0.45 2.80 0.00 0.00 179.97 183.18 2k54 h HIS 53 N 0.20 0.40 -0.99 2.20 3.86 -1.00 -3.14 115.15 116.68 2k54 h HIS 53 Ca 0.00 -0.20 0.10 0.00 -1.16 0.00 0.00 60.37 59.10 2k54 h HIS 53 Cb 1.04 -0.05 -0.07 0.00 1.06 0.00 0.00 27.41 29.39 2k54 h HIS 53 CO 0.02 0.99 0.63 0.82 0.86 0.00 0.00 177.93 181.25 2k54 h ILE 54 N 0.17 0.99 -0.34 2.45 2.04 -0.65 0.05 117.51 122.21 2k54 h ILE 54 Ca -0.04 -0.36 0.02 0.00 1.00 0.00 0.00 64.86 65.47 2k54 h ILE 54 Cb 1.43 -0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 2k54 h ILE 54 CO 0.13 0.19 0.20 -0.33 0.00 0.00 0.00 178.15 178.34 2k54 h GLU 55 N 1.05 0.39 -0.01 2.37 4.39 -1.36 -1.32 114.58 120.08 2k54 h GLU 55 Ca 0.46 -0.02 -0.07 0.00 0.34 0.00 0.00 59.36 60.07 2k54 h GLU 55 Cb 0.35 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 2k54 h GLU 55 CO -0.21 0.26 -0.30 -0.09 -1.16 0.00 0.00 179.01 177.50 2k54 h ARG 56 N 0.40 0.02 0.00 2.33 9.65 -1.30 -2.29 114.38 123.19 2k54 h ARG 56 Ca 0.14 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.01 2k54 h ARG 56 Cb 0.01 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.59 2k54 h ARG 56 CO -0.07 0.32 -0.07 1.19 2.80 0.00 0.00 179.97 184.14 2k54 n PHE 57 N -4.17 0.20 0.24 2.20 3.01 -0.08 -2.81 117.46 116.05 2k54 n PHE 57 Ca -0.02 0.06 0.13 0.00 1.01 0.00 0.00 57.45 58.62 2k54 n PHE 57 Cb 0.35 -0.57 0.52 0.00 -0.01 0.00 0.00 39.48 39.77 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 -6.26 -1.08 1.79 -0.65 -3.44 116.57 106.92 2k54 h LYS 58 Ca 0.00 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.89 2k54 h LYS 58 Cb 0.55 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.13 2k54 h LYS 58 CO 0.00 0.13 0.78 -1.21 -1.08 0.00 0.00 179.45 178.08 2k54 s GLU 59 N -3.62 4.00 0.47 3.15 2.02 -1.12 -4.95 118.70 118.64 2k54 s GLU 59 Ca 0.01 0.92 0.15 0.00 0.02 0.00 0.00 54.97 56.07 2k54 s GLU 59 Cb 0.09 -3.76 1.08 0.00 0.10 0.00 0.00 34.13 31.65 2k54 s GLU 59 CO 0.61 -0.93 2.04 -1.00 0.02 0.00 0.00 175.26 176.00 2k54 h PRO 60 N 8.23 0.01 -0.10 0.39 0.13 -1.89 -2.64 132.00 136.13 2k54 h PRO 60 Ca -0.21 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 2k54 h PRO 60 Cb 1.07 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2k54 h PRO 60 CO 1.02 0.13 0.00 -0.25 -0.23 0.00 0.00 178.00 178.67 2k54 n ASP 61 N -4.39 1.14 -4.65 1.44 9.92 -1.26 -4.86 116.55 113.89 2k54 n ASP 61 Ca -0.03 -1.59 -0.42 0.00 -0.53 0.00 0.00 54.79 52.22 2k54 n ASP 61 Cb 0.19 -0.06 -0.03 0.00 -0.64 0.00 0.00 41.12 40.58 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 -1.63 4.16 -0.18 0.64 2.96 -1.00 -4.52 118.68 119.11 2k54 s LEU 62 Ca 0.32 2.05 -0.06 0.00 -0.22 0.00 0.00 54.13 56.22 2k54 s LEU 62 Cb 0.17 -3.53 0.09 0.00 0.50 0.00 0.00 46.19 43.41 2k54 s LEU 62 CO 0.26 -1.07 0.37 -0.47 -1.32 0.00 0.00 176.35 174.12 2k54 s TYR 63 N 4.59 -0.69 -0.53 5.38 5.04 -1.26 -4.98 117.35 124.91 2k54 s TYR 63 Ca 0.74 1.30 -0.19 0.00 -2.44 0.00 0.00 57.07 56.48 2k54 s TYR 63 Cb -0.31 0.18 0.07 0.00 0.35 0.00 0.00 41.96 42.25 2k54 s TYR 63 CO 0.30 -0.47 0.65 0.20 -1.34 0.00 0.00 175.55 174.90 2k54 s GLY 64 N 2.55 1.76 -0.52 8.97 0.00 -1.26 -1.32 107.32 117.51 2k54 s GLY 64 Ca 0.00 -1.87 -0.22 0.00 0.00 0.00 0.00 44.72 42.63 2k54 s GLY 64 CO -0.12 1.51 0.80 1.85 0.00 0.00 0.00 173.10 177.15 2k54 s GLU 65 N 2.67 3.27 -0.04 2.90 2.12 -1.02 -4.80 118.70 123.80 2k54 s GLU 65 Ca 0.14 -0.44 -0.29 0.00 0.36 0.00 0.00 54.97 54.74 2k54 s GLU 65 Cb -0.20 -4.04 -0.03 0.00 0.26 0.00 0.00 34.13 30.12 2k54 s GLU 65 CO 0.10 -1.32 0.95 -1.17 -0.54 0.00 0.00 175.26 173.28 2k54 s LEU 66 N 3.38 4.32 -0.06 2.70 0.20 -1.26 -1.21 118.68 126.76 2k54 s LEU 66 Ca 0.25 1.56 0.02 0.00 0.69 0.00 0.00 54.13 56.65 2k54 s LEU 66 Cb -0.15 -3.50 -0.05 0.00 -0.43 0.00 0.00 46.19 42.06 2k54 s LEU 66 CO 0.17 -0.30 -0.02 0.00 -0.29 0.00 0.00 176.35 175.92 2k54 n LEU 67 N 4.22 1.48 -4.03 -0.68 -0.00 -1.05 -4.99 117.00 111.95 2k54 n LEU 67 Ca 0.06 -0.02 -0.20 0.00 -0.00 0.00 0.00 56.01 55.86 2k54 n LEU 67 Cb 0.50 -0.05 -0.15 0.00 -0.00 0.00 0.00 43.42 43.73 2k54 n LEU 67 CO 0.51 0.36 -0.44 -0.89 -0.00 0.00 0.00 177.39 176.94 2k54 s THR 68 N -2.12 0.79 -0.00 1.47 2.01 -0.98 -5.08 115.64 111.72 2k54 s THR 68 Ca -0.06 -0.41 0.00 0.00 0.31 0.00 0.00 61.69 61.54 2k54 s THR 68 Cb 0.02 -0.67 0.00 0.00 0.01 0.00 0.00 72.50 71.86 2k54 s THR 68 CO 0.18 0.23 -0.01 0.00 -0.69 0.00 0.00 174.62 174.33 2k54 s ARG 69 N -0.13 0.10 0.02 4.92 1.04 -1.26 -0.55 118.95 123.09 2k54 s ARG 69 Ca 0.02 -0.03 0.02 0.00 -1.04 0.00 0.00 55.73 54.70 2k54 s ARG 69 Cb -0.05 -0.12 -0.01 0.00 -2.04 0.00 0.00 34.95 32.72 2k54 s ARG 69 CO -0.00 0.01 -0.07 0.14 -0.04 0.00 0.00 175.30 175.34 2k54 s VAL 70 N 0.06 0.53 0.00 4.99 -7.23 -0.41 -5.00 120.40 113.34 2k54 s VAL 70 Ca -0.00 -0.67 0.07 0.00 -1.81 0.00 0.00 61.98 59.57 2k54 s VAL 70 Cb -0.02 -0.52 -0.02 0.00 0.56 0.00 0.00 36.38 36.39 2k54 s VAL 70 CO -0.00 -0.12 -0.23 -0.51 -0.31 0.00 0.00 175.10 173.94 2k54 s ILE 71 N -0.75 1.80 -0.30 -0.62 2.07 -1.26 -0.91 121.20 121.22 2k54 s ILE 71 Ca -0.03 -1.05 -0.02 0.00 -1.41 0.00 0.00 60.65 58.14 2k54 s ILE 71 Cb -0.06 -1.51 0.12 0.00 0.13 0.00 0.00 42.46 41.14 2k54 s ILE 71 CO 0.00 0.43 0.23 0.54 -1.91 0.00 0.00 174.94 174.23 2k54 s VAL 72 N -0.61 -0.20 0.00 4.00 0.11 -0.24 -5.02 120.40 118.44 2k54 s VAL 72 Ca 0.09 -0.78 0.00 0.00 -2.93 0.00 0.00 61.98 58.36 2k54 s VAL 72 Cb -0.09 -0.97 0.00 0.00 -1.53 0.00 0.00 36.38 33.79 2k54 s VAL 72 CO -0.00 -0.64 0.00 0.61 -3.33 0.00 0.00 175.10 171.73 2k54 n GLY 73 N 5.05 3.82 1.12 6.54 0.00 -1.26 -2.16 105.19 118.30 2k54 n GLY 73 Ca -0.01 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.07 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 8.80 3.26 -4.05 1.61 6.94 -1.26 -4.88 115.26 125.68 2k54 n ASN 74 Ca 0.00 -2.22 -0.22 0.00 -0.02 0.00 0.00 54.58 52.12 2k54 n ASN 74 Cb 0.00 -0.44 -0.16 0.00 -2.36 0.00 0.00 39.78 36.82 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 -1.62 0.99 -0.04 3.53 1.01 -0.92 -1.08 120.40 122.26 2k54 s VAL 75 Ca 0.35 -0.48 0.05 0.00 0.00 0.00 0.00 61.98 61.90 2k54 s VAL 75 Cb 0.22 -0.86 -0.01 0.00 0.00 0.00 0.00 36.38 35.73 2k54 s VAL 75 CO 0.19 0.30 -0.18 -0.69 0.00 0.00 0.00 175.10 174.71 2k54 s VAL 76 N 0.10 1.52 -0.43 2.92 1.01 -0.80 -1.08 120.40 123.63 2k54 s VAL 76 Ca -0.02 -0.77 -0.15 0.00 0.00 0.00 0.00 61.98 61.03 2k54 s VAL 76 Cb -0.09 -1.30 0.04 0.00 0.00 0.00 0.00 36.38 35.04 2k54 s VAL 76 CO 0.01 0.43 0.34 -0.63 0.00 0.00 0.00 175.10 175.25 2k54 s ILE 77 N -0.04 5.23 -0.47 2.22 1.01 -0.09 -1.24 121.20 127.82 2k54 s ILE 77 Ca -0.03 -0.83 -0.23 0.00 0.00 0.00 0.00 60.65 59.56 2k54 s ILE 77 Cb -0.11 -4.00 0.03 0.00 0.01 0.00 0.00 42.46 38.39 2k54 s ILE 77 CO 0.02 -0.42 0.81 -1.81 0.00 0.00 0.00 174.94 173.55 2k54 s ASP 78 N 2.06 6.40 -0.41 3.58 1.01 -0.27 -1.29 116.67 127.75 2k54 s ASP 78 Ca 0.05 -0.16 -0.15 0.00 0.71 0.00 0.00 52.55 52.99 2k54 s ASP 78 Cb -0.21 -2.39 0.02 0.00 1.01 0.00 0.00 42.92 41.34 2k54 s ASP 78 CO 0.09 -0.98 0.33 -2.28 0.21 0.00 0.00 175.17 172.54 2k54 s HIS 79 N 3.40 3.22 0.29 4.23 5.65 0.28 -1.19 115.29 131.19 2k54 s HIS 79 Ca 0.30 -0.50 0.06 0.00 0.25 0.00 0.00 55.06 55.18 2k54 s HIS 79 Cb -0.12 -2.66 -0.06 0.00 -1.18 0.00 0.00 32.58 28.56 2k54 s HIS 79 CO 0.22 -0.60 -0.05 -1.83 -0.65 0.00 0.00 174.74 171.84 2k54 s GLU 80 N 1.80 1.59 -0.36 2.88 4.04 -1.01 -2.33 118.70 125.30 2k54 s GLU 80 Ca 0.07 -1.82 -0.01 0.00 0.04 0.00 0.00 54.97 53.25 2k54 s GLU 80 Cb -0.18 -1.17 0.09 0.00 0.02 0.00 0.00 34.13 32.89 2k54 s GLU 80 CO 0.11 0.02 0.12 0.99 -1.84 0.00 0.00 175.26 174.65 2k54 s THR 81 N -3.01 3.04 -0.04 1.83 2.01 -0.35 -1.15 115.64 117.96 2k54 s THR 81 Ca 0.30 -1.88 -0.25 0.00 0.31 0.00 0.00 61.69 60.18 2k54 s THR 81 Cb 0.04 -3.00 -0.04 0.00 0.01 0.00 0.00 72.50 69.52 2k54 s THR 81 CO 0.13 -0.49 0.75 0.68 -0.69 0.00 0.00 174.62 174.99 2k54 s VAL 82 N 1.14 4.99 -0.24 3.82 -7.23 -0.77 -2.44 120.40 119.66 2k54 s VAL 82 Ca 0.04 1.55 -0.29 0.00 -1.81 0.00 0.00 61.98 61.48 2k54 s VAL 82 Cb -0.21 -4.09 0.01 0.00 0.56 0.00 0.00 36.38 32.65 2k54 s VAL 82 CO -0.04 0.25 1.10 -0.89 -0.31 0.00 0.00 175.10 175.21 2k54 s THR 83 N 0.72 4.55 0.00 5.32 2.01 -0.44 -1.18 115.64 126.63 2k54 s THR 83 Ca 0.40 1.85 0.00 0.00 0.31 0.00 0.00 61.69 64.25 2k54 s THR 83 Cb -0.18 -4.28 0.00 0.00 0.01 0.00 0.00 72.50 68.05 2k54 s THR 83 CO 0.20 -0.25 0.00 0.54 -0.69 0.00 0.00 174.62 174.42 2k54 n ARG 84 N 6.54 2.21 -3.96 4.92 1.74 -0.55 -4.01 116.66 123.53 2k54 n ARG 84 Ca 0.12 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.90 2k54 n ARG 84 Cb 0.46 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 31.75 2k54 n ARG 84 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2k54 s ASN 85 N -0.64 4.10 -0.01 0.55 0.02 -1.26 -3.95 114.94 113.75 2k54 s ASN 85 Ca 0.00 -1.37 0.00 0.00 -1.02 0.00 0.00 52.86 50.47 2k54 s ASN 85 Cb 0.00 -1.29 -0.04 0.00 0.02 0.00 0.00 41.25 39.94 2k54 s ASN 85 CO 0.00 -0.25 0.03 -0.36 0.02 0.00 0.00 177.10 176.54 2k54 s PHE 86 N 1.29 3.17 -0.74 2.20 0.08 -1.04 -4.93 117.98 118.02 2k54 s PHE 86 Ca -0.04 0.15 0.19 0.00 0.12 0.00 0.00 56.93 57.35 2k54 s PHE 86 Cb -0.19 -1.71 0.80 0.00 -0.57 0.00 0.00 43.02 41.34 2k54 s PHE 86 CO -0.07 0.50 1.58 -0.35 -0.10 0.00 0.00 175.22 176.78 2k54 n PRO 87 N 1.39 0.10 0.00 0.24 -0.04 -1.26 -2.39 135.00 133.03 2k54 n PRO 87 Ca -0.14 0.34 0.14 0.00 -0.04 0.00 0.00 63.50 63.79 2k54 n PRO 87 Cb 0.53 -1.69 0.55 0.00 -0.04 0.00 0.00 33.50 32.85 2k54 n PRO 87 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2k54 n GLU 88 N -1.87 1.09 0.00 0.54 0.28 -1.26 -5.02 120.64 114.40 2k54 n GLU 88 Ca 0.03 -0.53 0.00 0.00 -0.16 0.00 0.00 57.16 56.50 2k54 n GLU 88 Cb 0.20 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.58 2k54 n GLU 88 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2k54 n GLY 89 N 1.24 -0.53 0.00 -1.84 0.00 -1.01 -4.62 105.19 98.43 2k54 n GLY 89 Ca 0.16 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -4.33 118.16 117.18 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 -0.91 0.00 0.00 0.00 0.00 0.00 35.03 34.12 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 0.25 1.91 3.83 3.14 0.00 -1.25 -2.48 105.19 110.59 2k54 n GLY 91 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.03 4.07 -0.01 1.61 -1.05 -0.99 -1.49 118.70 120.81 2k54 s GLU 92 Ca 0.00 0.59 0.03 0.00 -0.15 0.00 0.00 54.97 55.44 2k54 s GLU 92 Cb 0.00 -3.12 -0.00 0.00 -0.44 0.00 0.00 34.13 30.57 2k54 s GLU 92 CO 0.00 0.59 -0.09 0.14 0.95 0.00 0.00 175.26 176.85 2k54 s VAL 93 N -1.24 0.72 -0.44 1.83 -7.23 -0.33 -0.48 120.40 113.23 2k54 s VAL 93 Ca 0.32 -0.37 -0.29 0.00 -1.81 0.00 0.00 61.98 59.83 2k54 s VAL 93 Cb -0.17 -0.61 0.01 0.00 0.56 0.00 0.00 36.38 36.17 2k54 s VAL 93 CO 0.18 0.21 1.39 -1.81 -0.31 0.00 0.00 175.10 174.76 2k54 s ASP 94 N -0.07 6.33 0.20 4.85 1.01 -0.95 -1.85 116.67 126.19 2k54 s ASP 94 Ca 0.01 0.71 0.09 0.00 0.71 0.00 0.00 52.55 54.08 2k54 s ASP 94 Cb -0.05 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 2k54 s ASP 94 CO -0.00 -1.46 -0.09 -0.69 0.21 0.00 0.00 175.17 173.14 2k54 s VAL 95 N 5.45 3.16 -0.28 -1.27 1.01 -0.30 0.27 120.40 128.44 2k54 s VAL 95 Ca 0.59 -1.76 0.02 0.00 0.00 0.00 0.00 61.98 60.83 2k54 s VAL 95 Cb -0.12 -2.59 0.08 0.00 0.00 0.00 0.00 36.38 33.74 2k54 s VAL 95 CO 0.32 -0.17 -0.01 0.00 0.00 0.00 0.00 175.10 175.23 2k54 s ALA 96 N -1.85 2.25 -0.47 5.51 0.00 -0.40 -2.41 121.76 124.39 2k54 s ALA 96 Ca 0.26 -1.80 -0.19 0.00 0.00 0.00 0.00 51.96 50.24 2k54 s ALA 96 Cb -0.08 -1.63 0.04 0.00 0.00 0.00 0.00 23.12 21.45 2k54 s ALA 96 CO 0.16 -1.40 0.56 0.00 0.00 0.00 0.00 175.76 175.07 2k54 s ILE 98 N 2.45 4.45 -0.14 0.00 2.07 0.10 -1.12 121.20 129.01 2k54 s ILE 98 Ca 0.15 -1.20 -0.08 0.00 -1.41 0.00 0.00 60.65 58.11 2k54 s ILE 98 Cb -0.18 -3.64 -0.04 0.00 0.13 0.00 0.00 42.46 38.73 2k54 s ILE 98 CO 0.13 -0.43 0.14 -0.31 -1.91 0.00 0.00 174.94 172.56 2k54 s TYR 99 N 1.49 3.55 -0.35 3.50 2.02 -0.37 -1.17 117.35 126.02 2k54 s TYR 99 Ca 0.03 0.48 -0.13 0.00 -0.37 0.00 0.00 57.07 57.08 2k54 s TYR 99 Cb -0.22 -2.01 -0.01 0.00 -0.40 0.00 0.00 41.96 39.33 2k54 s TYR 99 CO 0.04 0.62 0.24 -2.00 -1.57 0.00 0.00 175.55 172.88 2k54 s GLU 100 N -0.65 3.38 -0.30 -0.62 2.12 0.13 -1.90 118.70 120.87 2k54 s GLU 100 Ca 0.13 -0.72 -0.10 0.00 0.36 0.00 0.00 54.97 54.64 2k54 s GLU 100 Cb -0.12 -3.81 -0.03 0.00 0.26 0.00 0.00 34.13 30.43 2k54 s GLU 100 CO 0.03 -0.50 0.17 0.08 -0.54 0.00 0.00 175.26 174.50 2k54 s VAL 101 N 1.70 4.93 -0.02 3.70 1.01 -0.24 -0.93 120.40 130.55 2k54 s VAL 101 Ca 0.06 -0.15 0.04 0.00 0.00 0.00 0.00 61.98 61.93 2k54 s VAL 101 Cb -0.18 -3.43 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 2k54 s VAL 101 CO 0.10 0.15 -0.15 -0.70 0.00 0.00 0.00 175.10 174.51 2k54 s GLU 102 N 1.68 1.28 -1.46 2.72 2.12 0.55 -4.76 118.70 120.82 2k54 s GLU 102 Ca 0.06 -0.52 -0.01 0.00 0.36 0.00 0.00 54.97 54.86 2k54 s GLU 102 Cb -0.16 -1.20 0.00 0.00 0.26 0.00 0.00 34.13 33.02 2k54 s GLU 102 CO 0.08 0.28 0.09 0.09 -0.54 0.00 0.00 175.26 175.26 2k54 n ASN 103 N 2.85 -5.16 0.00 -1.70 3.02 -1.26 -2.35 115.26 110.66 2k54 n ASN 103 Ca -0.15 -0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.34 2k54 n ASN 103 Cb 0.54 -4.20 0.00 0.00 -0.61 0.00 0.00 39.78 35.51 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 -1.08 0.47 3.07 7.41 0.00 -1.26 -5.00 105.19 108.80 2k54 n GLY 104 Ca -0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.41 0.55 -0.51 1.61 1.81 -0.99 -4.89 118.95 116.12 2k54 s ARG 105 Ca 0.00 -0.92 -0.28 0.00 -1.72 0.00 0.00 55.73 52.81 2k54 s ARG 105 Cb 0.00 -0.10 0.00 0.00 -0.45 0.00 0.00 34.95 34.41 2k54 s ARG 105 CO 0.00 -0.01 1.56 0.42 -0.68 0.00 0.00 175.30 176.59 2k54 s ILE 106 N -2.29 3.67 0.07 1.52 1.01 -0.60 -0.33 121.20 124.25 2k54 s ILE 106 Ca -0.04 0.59 0.09 0.00 0.00 0.00 0.00 60.65 61.29 2k54 s ILE 106 Cb -0.04 -4.17 -0.14 0.00 0.01 0.00 0.00 42.46 38.12 2k54 s ILE 106 CO -0.03 -0.93 1.33 0.00 0.00 0.00 0.00 174.94 175.32 2k54 h ALA 107 N 12.04 0.45 -2.52 9.38 0.00 -1.26 -1.23 119.26 136.13 2k54 h ALA 107 Ca -0.28 -0.80 -0.10 0.00 0.00 0.00 0.00 54.91 53.73 2k54 h ALA 107 Cb 1.12 -0.14 -0.18 0.00 0.00 0.00 0.00 17.79 18.59 2k54 h ALA 107 CO 1.15 1.10 -0.24 0.15 0.00 0.00 0.00 179.25 181.40 2k54 s LYS 108 N -2.81 0.76 -0.09 0.00 1.02 -1.08 -1.83 119.74 115.71 2k54 s LYS 108 Ca 0.01 -0.34 -0.06 0.00 0.02 0.00 0.00 55.97 55.61 2k54 s LYS 108 Cb 0.10 0.33 0.03 0.00 -0.52 0.00 0.00 37.83 37.78 2k54 s LYS 108 CO 0.80 -0.23 0.22 0.00 -0.92 0.00 0.00 175.35 175.22 2k54 s ALA 109 N -1.97 -0.51 0.13 5.17 0.00 -0.50 -0.69 121.76 123.38 2k54 s ALA 109 Ca -0.09 0.78 0.08 0.00 0.00 0.00 0.00 51.96 52.73 2k54 s ALA 109 Cb -0.03 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 2k54 s ALA 109 CO 0.00 -0.15 -0.18 -1.58 0.00 0.00 0.00 175.76 173.85 2k54 s TRP 110 N 0.74 1.71 -0.00 0.00 0.51 -0.32 -0.91 118.94 120.66 2k54 s TRP 110 Ca -0.05 -0.46 -0.04 0.00 -2.12 0.00 0.00 56.10 53.43 2k54 s TRP 110 Cb -0.07 -0.89 -0.00 0.00 -0.81 0.00 0.00 33.47 31.70 2k54 s TRP 110 CO -0.04 0.24 0.07 -0.59 -0.51 0.00 0.00 176.95 176.12 2k54 s PHE 111 N -1.71 0.07 -0.10 -1.98 -0.71 -1.17 -0.72 117.98 111.65 2k54 s PHE 111 Ca 0.10 -0.14 -0.02 0.00 -1.04 0.00 0.00 56.93 55.83 2k54 s PHE 111 Cb -0.07 -0.07 0.03 0.00 -1.21 0.00 0.00 43.02 41.70 2k54 s PHE 111 CO 0.05 -0.19 0.00 -1.59 -1.34 0.00 0.00 175.22 172.15 2k54 s LYS 112 N -0.99 0.69 -0.43 1.99 -2.85 -0.71 -1.52 119.74 115.92 2k54 s LYS 112 Ca -0.11 -0.04 -0.23 0.00 -1.00 0.00 0.00 55.97 54.59 2k54 s LYS 112 Cb -0.06 -1.29 0.02 0.00 -2.06 0.00 0.00 37.83 34.44 2k54 s LYS 112 CO 0.00 -0.38 0.75 0.42 0.10 0.00 0.00 175.35 176.25 2k54 s ILE 113 N 1.93 4.70 0.00 3.79 1.01 -1.26 -1.27 121.20 130.10 2k54 s ILE 113 Ca 0.04 0.44 0.00 0.00 0.00 0.00 0.00 60.65 61.13 2k54 s ILE 113 Cb -0.13 -4.28 0.00 0.00 0.01 0.00 0.00 42.46 38.06 2k54 s ILE 113 CO -0.06 -0.64 0.00 0.61 0.00 0.00 0.00 174.94 174.85 2k54 n GLY 114 N 4.92 -0.41 3.16 6.18 0.00 0.14 -4.98 105.19 114.21 2k54 n GLY 114 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 2k54 n GLY 114 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k54 s GLU 115 N 0.00 1.38 0.04 1.61 2.12 -1.22 -4.96 118.70 117.66 2k54 s GLU 115 Ca 0.00 -0.63 -0.30 0.00 0.36 0.00 0.00 54.97 54.39 2k54 s GLU 115 Cb 0.00 -1.34 -0.07 0.00 0.26 0.00 0.00 34.13 32.98 2k54 s GLU 115 CO 0.00 0.37 1.52 -1.25 -0.54 0.00 0.00 175.26 175.35 2k54 s PRO 116 N -0.45 4.24 -0.19 4.30 0.04 -1.26 -2.25 135.00 139.44 2k54 s PRO 116 Ca 0.07 2.14 -0.03 0.00 0.04 0.00 0.00 61.00 63.22 2k54 s PRO 116 Cb -0.07 -3.56 -0.02 0.00 0.04 0.00 0.00 34.50 30.90 2k54 s PRO 116 CO -0.01 -0.64 -0.06 1.03 0.04 0.00 0.00 177.00 177.37 2k54 s ARG 117 N 2.41 3.46 -0.12 4.56 1.81 0.37 -4.99 118.95 126.45 2k54 s ARG 117 Ca 0.68 -0.61 0.02 0.00 -1.72 0.00 0.00 55.73 54.11 2k54 s ARG 117 Cb -0.36 -2.92 0.01 0.00 -0.45 0.00 0.00 34.95 31.24 2k54 s ARG 117 CO 0.29 -0.01 -0.17 0.42 -0.68 0.00 0.00 175.30 175.16 2k54 s ILE 118 N 0.98 1.63 0.21 1.52 -1.09 -1.26 -2.35 121.20 120.84 2k54 s ILE 118 Ca -0.00 -0.71 -0.10 0.00 -2.23 0.00 0.00 60.65 57.61 2k54 s ILE 118 Cb -0.15 -1.48 0.16 0.00 -1.58 0.00 0.00 42.46 39.42 2k54 s ILE 118 CO 0.00 0.47 1.87 0.58 -1.23 0.00 0.00 174.94 176.63 2k54 h VAL 119 N 5.94 1.15 0.00 2.92 2.07 -1.96 -3.33 116.25 123.04 2k54 h VAL 119 Ca -0.32 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 66.87 2k54 h VAL 119 Cb 1.17 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 2k54 h VAL 119 CO 0.51 0.18 0.00 -0.24 0.02 0.00 0.00 177.57 178.03 2k54 n SER 120 N -4.60 0.00 -4.56 0.57 2.88 -1.26 -4.69 113.62 101.96 2k54 n SER 120 Ca 0.08 0.42 -0.35 0.00 -1.33 0.00 0.00 58.87 57.69 2k54 n SER 120 Cb 0.06 -0.47 -0.04 0.00 -0.75 0.00 0.00 64.21 63.01 2k54 n SER 120 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2k54 s GLN 121 N -0.94 3.10 -0.18 -1.46 0.74 -1.25 -4.90 119.66 114.77 2k54 s GLN 121 Ca 0.00 -0.67 -0.27 0.00 0.05 0.00 0.00 55.36 54.47 2k54 s GLN 121 Cb 0.00 -5.15 0.07 0.00 1.10 0.00 0.00 33.01 29.03 2k54 s GLN 121 CO 0.00 -2.72 0.69 0.21 -0.55 0.00 0.00 175.29 172.93 2k54 s LYS 122 N 5.94 0.91 0.00 1.67 2.20 -1.25 -4.20 119.74 125.01 2k54 s LYS 122 Ca 0.56 0.70 0.32 0.00 -0.36 0.00 0.00 55.97 57.19 2k54 s LYS 122 Cb -0.04 0.44 1.88 0.00 -1.51 0.00 0.00 37.83 38.60 2k54 s LYS 122 CO -0.04 -0.19 2.21 0.45 -0.36 0.00 0.00 175.35 177.43