#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 0.34 -0.02 7.83 3.02 -1.26 -4.99 115.26 120.18 2k54 n ASN 2 Ca 0.00 -1.91 -0.09 0.00 -0.03 0.00 0.00 54.58 52.55 2k54 n ASN 2 Cb 0.00 -0.17 -0.03 0.00 -0.61 0.00 0.00 39.78 38.97 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 0.46 -0.73 0.47 6.41 0.02 -1.98 0.50 113.55 118.70 2k54 h SER 3 Ca -0.17 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2k54 h SER 3 Cb 1.59 0.34 0.00 0.00 0.14 0.00 0.00 62.40 64.47 2k54 h SER 3 CO 0.01 -0.28 0.00 -1.84 -1.14 0.00 0.00 176.83 173.59 2k54 n GLU 4 N -5.37 0.07 -0.09 3.45 0.00 -1.26 -0.57 120.64 116.88 2k54 n GLU 4 Ca -0.02 0.37 -0.10 0.00 0.00 0.00 0.00 57.16 57.41 2k54 n GLU 4 Cb 0.28 -1.66 -0.16 0.00 0.00 0.00 0.00 31.44 29.91 2k54 n GLU 4 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 2k54 n ILE 5 N -1.80 1.43 0.01 3.84 2.08 -0.12 -4.36 119.36 120.45 2k54 n ILE 5 Ca 0.02 -0.84 -0.09 0.00 0.56 0.00 0.00 62.75 62.41 2k54 n ILE 5 Cb 0.16 -0.60 0.07 0.00 -0.75 0.00 0.00 39.64 38.51 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 0.00 0.53 -0.21 0.38 5.08 0.00 -3.36 114.58 117.00 2k54 h GLU 6 Ca -0.51 -0.33 -0.03 0.00 -1.00 0.00 0.00 59.36 57.49 2k54 h GLU 6 Cb 2.20 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 31.47 2k54 h GLU 6 CO 0.03 0.93 0.02 -0.07 -1.00 0.00 0.00 179.01 178.93 2k54 h LEU 7 N 0.41 0.35 0.36 1.33 -0.00 -1.03 0.12 115.31 116.85 2k54 h LEU 7 Ca 0.01 -0.28 -0.00 0.00 -0.00 0.00 0.00 57.88 57.60 2k54 h LEU 7 Cb 1.08 -0.09 -0.03 0.00 -0.00 0.00 0.00 40.66 41.62 2k54 h LEU 7 CO 0.10 0.55 -0.42 1.55 -0.00 0.00 0.00 178.44 180.23 2k54 h PRO 8 N 0.14 -0.78 -0.37 1.13 0.13 -1.77 -2.78 132.00 127.71 2k54 h PRO 8 Ca 0.06 0.05 0.01 0.00 -0.87 0.00 0.00 66.00 65.26 2k54 h PRO 8 Cb 0.36 0.18 -0.02 0.00 0.13 0.00 0.00 31.00 31.65 2k54 h PRO 8 CO 0.01 -0.52 0.24 0.28 -0.23 0.00 0.00 178.00 177.78 2k54 h VAL 9 N -0.81 1.07 0.33 1.56 2.07 -1.68 -1.46 116.25 117.33 2k54 h VAL 9 Ca -0.03 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 2k54 h VAL 9 Cb 0.74 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 2k54 h VAL 9 CO -0.10 0.08 -0.16 -0.61 0.02 0.00 0.00 177.57 176.81 2k54 h GLN 10 N 0.45 -0.42 -0.33 1.57 -0.00 -0.96 -2.77 115.11 112.64 2k54 h GLN 10 Ca 0.14 0.03 -0.09 0.00 -0.00 0.00 0.00 58.65 58.73 2k54 h GLN 10 Cb 0.01 0.10 -0.02 0.00 0.00 0.00 0.00 27.48 27.57 2k54 h GLN 10 CO -0.03 -0.10 -0.15 0.87 0.00 0.00 0.00 178.83 179.42 2k54 h LYS 11 N -0.91 0.58 -0.64 1.69 1.79 -1.19 -2.65 116.57 115.25 2k54 h LYS 11 Ca -0.04 -0.19 -0.08 0.00 -2.18 0.00 0.00 60.65 58.16 2k54 h LYS 11 Cb 0.52 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.10 2k54 h LYS 11 CO 0.07 0.72 0.10 1.96 -1.08 0.00 0.00 179.45 181.22 2k54 h GLN 12 N 0.53 1.05 0.20 3.15 4.20 -1.37 -2.21 115.11 120.66 2k54 h GLN 12 Ca 0.09 -0.28 -0.00 0.00 0.06 0.00 0.00 58.65 58.52 2k54 h GLN 12 Cb 0.57 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 2k54 h GLN 12 CO 0.04 0.97 -0.14 1.25 -0.67 0.00 0.00 178.83 180.28 2k54 h LEU 13 N 0.99 -0.34 -0.48 1.46 5.85 -1.17 0.14 115.31 121.75 2k54 h LEU 13 Ca 0.20 0.02 0.07 0.00 0.84 0.00 0.00 57.88 59.01 2k54 h LEU 13 Cb 0.43 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.51 2k54 h LEU 13 CO 0.01 -0.22 0.15 -0.33 -0.34 0.00 0.00 178.44 177.72 2k54 h GLU 14 N -0.33 0.31 -0.05 1.25 4.39 -1.53 -2.19 114.58 116.43 2k54 h GLU 14 Ca -0.01 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.61 2k54 h GLU 14 Cb 0.29 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 2k54 h GLU 14 CO 0.01 0.20 -0.25 0.00 -1.16 0.00 0.00 179.01 177.81 2k54 h ALA 15 N 1.34 1.50 -0.07 3.43 0.00 -1.06 -1.38 119.26 123.02 2k54 h ALA 15 Ca 0.23 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2k54 h ALA 15 Cb 0.26 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2k54 h ALA 15 CO -0.26 0.37 -0.04 -0.92 0.00 0.00 0.00 179.25 178.40 2k54 h TYR 16 N 0.07 0.17 0.00 0.00 3.20 -0.08 0.13 116.97 120.45 2k54 h TYR 16 Ca 0.01 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.84 2k54 h TYR 16 Cb 0.49 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.72 2k54 h TYR 16 CO 0.00 0.54 -0.22 -2.95 -1.64 0.00 0.00 178.16 173.89 2k54 h ASN 17 N -0.25 0.00 0.21 -2.11 7.08 -1.52 -3.18 115.58 115.81 2k54 h ASN 17 Ca 0.01 -0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.23 2k54 h ASN 17 Cb 0.50 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.74 2k54 h ASN 17 CO 0.01 0.00 -0.14 0.00 -2.08 0.00 0.00 177.43 175.22 2k54 n ALA 18 N -2.10 2.85 -1.47 4.14 0.00 -0.52 -4.95 120.51 118.45 2k54 n ALA 18 Ca 0.03 -0.36 -0.12 0.00 0.00 0.00 0.00 53.44 52.99 2k54 n ALA 18 Cb 0.53 -1.22 -0.05 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.57 -0.88 -3.16 0.00 5.12 -0.46 -5.00 116.66 111.71 2k54 n ARG 19 Ca 0.15 0.89 -0.40 0.00 -1.93 0.00 0.00 57.85 56.57 2k54 n ARG 19 Cb 0.32 -4.94 -0.06 0.00 -1.16 0.00 0.00 32.46 26.61 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 -2.82 6.63 0.05 0.55 1.01 0.33 -4.96 116.67 117.46 2k54 s ASP 20 Ca 0.00 0.77 0.13 0.00 0.71 0.00 0.00 52.55 54.15 2k54 s ASP 20 Cb 0.00 -2.33 -0.17 0.00 1.01 0.00 0.00 42.92 41.43 2k54 s ASP 20 CO 0.00 -0.26 0.91 0.40 0.21 0.00 0.00 175.17 176.43 2k54 h ILE 21 N 5.19 0.92 -0.29 0.77 1.08 -1.95 -3.34 117.51 119.89 2k54 h ILE 21 Ca -0.32 -2.60 0.01 0.00 -0.39 0.00 0.00 64.86 61.57 2k54 h ILE 21 Cb 1.14 2.39 -0.02 0.00 -3.07 0.00 0.00 36.82 37.27 2k54 h ILE 21 CO 0.76 0.52 0.18 0.44 -0.69 0.00 0.00 178.15 179.36 2k54 h ASP 22 N 0.00 0.29 0.82 1.72 5.19 -1.96 0.36 116.42 122.84 2k54 h ASP 22 Ca -0.17 0.00 -0.23 0.00 -0.62 0.00 0.00 57.03 56.01 2k54 h ASP 22 Cb 1.78 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 41.22 2k54 h ASP 22 CO 0.08 0.21 -1.09 0.00 -3.12 0.00 0.00 179.24 175.32 2k54 h ALA 23 N 1.13 0.26 0.00 3.45 0.00 -1.92 -0.75 119.26 121.42 2k54 h ALA 23 Ca 0.11 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.14 2k54 h ALA 23 Cb -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2k54 h ALA 23 CO -0.05 1.11 0.00 0.34 0.00 0.00 0.00 179.25 180.65 2k54 n PHE 24 N -3.45 0.00 -0.02 0.00 7.35 -0.79 -3.31 117.46 117.24 2k54 n PHE 24 Ca -0.04 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.63 2k54 n PHE 24 Cb 0.96 -0.36 -0.02 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 -1.36 2.15 -0.07 -4.13 1.56 0.12 -4.83 117.12 110.56 2k54 n MET 25 Ca 0.08 0.01 -0.08 0.00 -0.27 0.00 0.00 57.70 57.44 2k54 n MET 25 Cb 0.18 -1.08 -0.01 0.00 2.15 0.00 0.00 33.22 34.47 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 0.09 0.29 0.00 -5.12 0.00 -1.12 -2.42 119.26 110.98 2k54 h ALA 26 Ca -0.09 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2k54 h ALA 26 Cb 1.17 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2k54 h ALA 26 CO -0.00 -0.35 0.00 0.91 0.00 0.00 0.00 179.25 179.81 2k54 n TRP 27 N -5.07 0.00 -3.48 0.00 7.02 -1.24 -4.71 117.44 109.96 2k54 n TRP 27 Ca -0.01 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.15 2k54 n TRP 27 Cb 0.11 -0.03 -0.05 0.00 -2.42 0.00 0.00 31.31 28.92 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 -2.07 3.46 0.59 -5.99 0.52 -0.91 -1.58 118.94 112.96 2k54 s TRP 28 Ca 0.38 0.81 -0.15 0.00 0.02 0.00 0.00 56.10 57.15 2k54 s TRP 28 Cb 0.18 -2.21 -0.04 0.00 -1.15 0.00 0.00 33.47 30.25 2k54 s TRP 28 CO 0.31 0.33 1.04 0.00 0.02 0.00 0.00 176.95 178.66 2k54 s ALA 29 N -1.74 2.80 0.38 0.98 0.00 -0.27 -4.65 121.76 119.26 2k54 s ALA 29 Ca 0.45 0.32 0.27 0.00 0.00 0.00 0.00 51.96 53.00 2k54 s ALA 29 Cb -0.12 -3.20 1.39 0.00 0.00 0.00 0.00 23.12 21.19 2k54 s ALA 29 CO 0.22 -0.74 2.04 0.22 0.00 0.00 0.00 175.76 177.50 2k54 h ASP 30 N 0.42 0.00 -0.46 0.00 3.58 -1.95 -2.41 116.42 115.60 2k54 h ASP 30 Ca -0.47 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.98 2k54 h ASP 30 Cb 1.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.26 2k54 h ASP 30 CO 0.58 0.13 0.00 -0.67 -2.88 0.00 0.00 179.24 176.40 2k54 n ASP 31 N -3.59 4.89 -4.63 2.28 2.03 -1.26 -2.30 116.55 113.97 2k54 n ASP 31 Ca -0.02 -2.90 -0.43 0.00 0.52 0.00 0.00 54.79 51.97 2k54 n ASP 31 Cb 0.26 -0.61 -0.03 0.00 -0.72 0.00 0.00 41.12 40.02 2k54 n ASP 31 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k54 s GLN 33 N 5.42 3.12 -0.40 0.00 -1.52 -0.62 -1.39 119.66 124.26 2k54 s GLN 33 Ca 0.94 -0.95 -0.17 0.00 -1.95 0.00 0.00 55.36 53.23 2k54 s GLN 33 Cb -0.37 -4.17 0.01 0.00 -0.22 0.00 0.00 33.01 28.26 2k54 s GLN 33 CO 0.38 -1.45 0.41 -0.47 -0.25 0.00 0.00 175.29 173.91 2k54 s TYR 34 N 3.03 3.18 0.19 0.91 5.04 -0.00 -1.33 117.35 128.37 2k54 s TYR 34 Ca 0.17 -0.31 0.08 0.00 -2.44 0.00 0.00 57.07 54.57 2k54 s TYR 34 Cb -0.20 -2.82 -0.04 0.00 0.35 0.00 0.00 41.96 39.26 2k54 s TYR 34 CO 0.11 -0.63 0.00 0.71 -1.34 0.00 0.00 175.55 174.40 2k54 s TYR 35 N 2.07 2.83 0.22 4.97 1.51 -0.14 -1.66 117.35 127.15 2k54 s TYR 35 Ca 0.11 -0.15 0.10 0.00 -1.01 0.00 0.00 57.07 56.12 2k54 s TYR 35 Cb -0.17 -1.35 -0.04 0.00 -0.11 0.00 0.00 41.96 40.29 2k54 s TYR 35 CO 0.13 0.53 -0.08 0.00 -1.11 0.00 0.00 175.55 175.02 2k54 s ALA 36 N -1.83 2.99 0.24 3.71 0.00 -0.39 -3.21 121.76 123.28 2k54 s ALA 36 Ca 0.28 -1.59 -0.31 0.00 0.00 0.00 0.00 51.96 50.34 2k54 s ALA 36 Cb -0.09 -0.68 -0.13 0.00 0.00 0.00 0.00 23.12 22.22 2k54 s ALA 36 CO 0.19 0.37 1.46 1.97 0.00 0.00 0.00 175.76 179.75 2k54 n PHE 37 N -0.36 2.31 -0.00 0.00 -1.74 -0.80 -1.53 117.46 115.34 2k54 n PHE 37 Ca -0.09 0.38 -0.18 0.00 -0.56 0.00 0.00 57.45 57.00 2k54 n PHE 37 Cb 0.57 -2.50 -0.09 0.00 1.52 0.00 0.00 39.48 38.99 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 4.52 0.71 -0.84 3.97 0.13 -2.00 -3.44 132.00 135.05 2k54 h PRO 38 Ca -0.45 -0.64 0.00 0.00 -0.87 0.00 0.00 66.00 64.04 2k54 h PRO 38 Cb 1.26 0.15 -0.19 0.00 0.13 0.00 0.00 31.00 32.35 2k54 h PRO 38 CO 0.78 1.24 -0.36 0.00 -0.23 0.00 0.00 178.00 179.43 2k54 s ALA 39 N -3.58 -2.78 -0.08 -0.56 0.00 -0.58 -5.04 121.76 109.14 2k54 s ALA 39 Ca -0.11 0.61 -0.03 0.00 0.00 0.00 0.00 51.96 52.44 2k54 s ALA 39 Cb 0.07 -2.75 0.04 0.00 0.00 0.00 0.00 23.12 20.49 2k54 s ALA 39 CO 0.89 -2.17 0.06 0.99 0.00 0.00 0.00 175.76 175.53 2k54 s THR 40 N 2.13 0.01 -0.64 0.00 2.01 -0.71 -4.93 115.64 113.51 2k54 s THR 40 Ca 0.15 0.21 -0.26 0.00 0.31 0.00 0.00 61.69 62.09 2k54 s THR 40 Cb -0.04 -0.35 0.04 0.00 0.01 0.00 0.00 72.50 72.16 2k54 s THR 40 CO -0.13 0.08 1.16 -0.22 -0.69 0.00 0.00 174.62 174.82 2k54 s LEU 41 N 2.12 3.55 -0.02 4.42 0.20 -1.26 -1.26 118.68 126.43 2k54 s LEU 41 Ca 0.04 -0.29 0.13 0.00 0.69 0.00 0.00 54.13 54.70 2k54 s LEU 41 Cb -0.13 -2.81 -0.22 0.00 -0.43 0.00 0.00 46.19 42.61 2k54 s LEU 41 CO -0.05 -1.57 0.71 -0.07 -0.29 0.00 0.00 176.35 175.09 2k54 h LEU 42 N 12.11 0.00 -7.02 -0.68 -0.00 -1.68 -3.47 115.31 114.57 2k54 h LEU 42 Ca -0.27 0.00 -0.24 0.00 -0.00 0.00 0.00 57.88 57.38 2k54 h LEU 42 Cb 1.06 0.00 -0.33 0.00 -0.00 0.00 0.00 40.66 41.39 2k54 h LEU 42 CO 1.20 0.94 -0.55 0.00 -0.00 0.00 0.00 178.44 180.04 2k54 s ALA 43 N -2.65 -0.53 -0.59 1.53 0.00 -1.16 -4.95 121.76 113.41 2k54 s ALA 43 Ca -0.04 0.75 0.00 0.00 0.00 0.00 0.00 51.96 52.67 2k54 s ALA 43 Cb 0.08 -1.16 0.53 0.00 0.00 0.00 0.00 23.12 22.57 2k54 s ALA 43 CO 0.82 -0.85 1.99 0.41 0.00 0.00 0.00 175.76 178.13 2k54 n GLY 44 N 5.34 5.36 0.00 0.00 0.00 -1.26 -0.82 105.19 113.81 2k54 n GLY 44 Ca -0.06 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.00 0.00 -0.05 1.61 0.23 -0.49 -4.68 115.26 110.88 2k54 n ASN 45 Ca 0.62 0.00 -0.01 0.00 -0.53 0.00 0.00 54.58 54.65 2k54 n ASN 45 Cb 1.04 0.00 0.25 0.00 -2.08 0.00 0.00 39.78 38.99 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 1.30 -0.45 -2.53 0.00 -1.54 -3.18 119.26 112.86 2k54 h ALA 46 Ca 0.00 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.71 2k54 h ALA 46 Cb 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2k54 h ALA 46 CO 0.00 0.48 0.29 0.00 0.00 0.00 0.00 179.25 180.02 2k54 h ALA 47 N 1.43 0.57 -0.05 0.00 0.00 -1.91 -0.28 119.26 119.02 2k54 h ALA 47 Ca 0.13 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 2k54 h ALA 47 Cb 0.33 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2k54 h ALA 47 CO 0.01 0.01 -0.58 0.93 0.00 0.00 0.00 179.25 179.61 2k54 h GLU 48 N 0.60 0.16 -0.55 0.00 5.08 -1.96 -2.61 114.58 115.30 2k54 h GLU 48 Ca 0.17 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 2k54 h GLU 48 Cb -0.06 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 2k54 h GLU 48 CO -0.04 0.70 -0.02 0.82 -1.00 0.00 0.00 179.01 179.46 2k54 h ILE 49 N 0.12 1.26 0.64 3.13 2.04 -1.40 -2.51 117.51 120.78 2k54 h ILE 49 Ca -0.00 -1.13 -0.03 0.00 1.00 0.00 0.00 64.86 64.69 2k54 h ILE 49 Cb 1.06 0.86 0.01 0.00 -0.74 0.00 0.00 36.82 38.01 2k54 h ILE 49 CO 0.09 0.40 -0.31 -0.09 0.00 0.00 0.00 178.15 178.24 2k54 h ARG 50 N 0.87 -0.83 -0.36 2.37 2.43 -0.79 -2.18 114.38 115.91 2k54 h ARG 50 Ca 0.16 0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.44 2k54 h ARG 50 Cb 0.55 0.19 -0.05 0.00 -0.42 0.00 0.00 29.97 30.23 2k54 h ARG 50 CO 0.03 -0.52 0.05 0.28 -1.51 0.00 0.00 179.97 178.31 2k54 h VAL 51 N -0.97 0.80 -0.72 0.20 2.07 -1.52 0.02 116.25 116.13 2k54 h VAL 51 Ca -0.09 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 2k54 h VAL 51 Cb 0.69 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 2k54 h VAL 51 CO 0.14 0.03 0.39 -0.09 0.02 0.00 0.00 177.57 178.07 2k54 h ARG 52 N 0.17 0.99 0.00 1.57 2.43 -1.45 -1.77 114.38 116.31 2k54 h ARG 52 Ca 0.17 -0.11 -0.16 0.00 -0.81 0.00 0.00 59.98 59.07 2k54 h ARG 52 Cb 0.21 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 2k54 h ARG 52 CO -0.24 0.73 -0.78 0.45 -1.51 0.00 0.00 179.97 178.61 2k54 h HIS 53 N 1.00 0.00 -0.50 2.20 3.86 -0.81 -2.54 115.15 118.35 2k54 h HIS 53 Ca 0.25 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.45 2k54 h HIS 53 Cb 0.02 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.47 2k54 h HIS 53 CO 0.01 0.78 0.27 0.82 0.86 0.00 0.00 177.93 180.68 2k54 h ILE 54 N 0.00 1.17 -0.29 2.45 2.04 -0.18 0.04 117.51 122.75 2k54 h ILE 54 Ca -0.01 -0.45 -0.07 0.00 1.00 0.00 0.00 64.86 65.34 2k54 h ILE 54 Cb 1.54 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 2k54 h ILE 54 CO 0.10 0.19 -0.11 -0.33 0.00 0.00 0.00 178.15 178.00 2k54 h GLU 55 N 0.67 0.49 -0.01 2.37 5.08 -1.42 -2.42 114.58 119.34 2k54 h GLU 55 Ca 0.18 -0.13 -0.12 0.00 -1.00 0.00 0.00 59.36 58.28 2k54 h GLU 55 Cb 0.05 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2k54 h GLU 55 CO -0.03 0.60 -0.56 -0.09 -1.00 0.00 0.00 179.01 177.93 2k54 h ARG 56 N 0.45 0.03 0.00 2.33 9.65 -1.00 -2.88 114.38 122.96 2k54 h ARG 56 Ca 0.09 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 2k54 h ARG 56 Cb 0.47 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.05 2k54 h ARG 56 CO 0.03 0.58 0.00 1.19 2.80 0.00 0.00 179.97 184.57 2k54 n PHE 57 N -3.88 0.00 1.13 2.20 3.01 -0.04 -2.62 117.46 117.25 2k54 n PHE 57 Ca -0.01 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.58 2k54 n PHE 57 Cb 0.57 -0.29 0.57 0.00 -0.01 0.00 0.00 39.48 40.32 2k54 n PHE 57 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2k54 n LYS 58 N -1.29 0.17 -2.16 -1.08 4.76 -1.09 -4.82 118.16 112.66 2k54 n LYS 58 Ca 0.14 -0.03 -0.43 0.00 -2.87 0.00 0.00 58.31 55.12 2k54 n LYS 58 Cb 0.24 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 31.90 2k54 n LYS 58 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2k54 s GLU 59 N -2.86 4.09 0.49 1.97 0.41 -1.08 -4.92 118.70 116.81 2k54 s GLU 59 Ca 0.18 1.89 0.28 0.00 -0.41 0.00 0.00 54.97 56.91 2k54 s GLU 59 Cb 0.19 -3.93 1.12 0.00 -1.78 0.00 0.00 34.13 29.73 2k54 s GLU 59 CO 0.54 -0.92 1.90 -1.00 -0.49 0.00 0.00 175.26 175.29 2k54 h PRO 60 N 9.46 0.00 -0.01 0.39 0.13 -1.91 -2.65 132.00 137.41 2k54 h PRO 60 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2k54 h PRO 60 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2k54 h PRO 60 CO 0.97 0.12 -0.42 -0.25 -0.23 0.00 0.00 178.00 178.19 2k54 n ASP 61 N -3.27 0.97 -4.59 1.44 9.92 -1.26 -4.94 116.55 114.81 2k54 n ASP 61 Ca 0.00 -0.77 -0.44 0.00 -0.53 0.00 0.00 54.79 53.05 2k54 n ASP 61 Cb 0.37 0.28 -0.04 0.00 -0.64 0.00 0.00 41.12 41.10 2k54 n ASP 61 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 2k54 n LEU 62 N -0.92 3.23 -3.59 0.64 7.94 -1.00 -4.59 117.00 118.71 2k54 n LEU 62 Ca 0.09 0.36 -0.13 0.00 -1.11 0.00 0.00 56.01 55.22 2k54 n LEU 62 Cb 0.36 -1.50 -0.12 0.00 0.53 0.00 0.00 43.42 42.69 2k54 n LEU 62 CO 0.30 -0.55 -0.10 -0.47 -1.11 0.00 0.00 177.39 175.46 2k54 s TYR 63 N 7.48 -0.53 -0.14 1.96 5.04 -1.24 -4.97 117.35 124.95 2k54 s TYR 63 Ca 1.00 0.94 -0.22 0.00 -2.44 0.00 0.00 57.07 56.35 2k54 s TYR 63 Cb -0.44 -0.02 -0.03 0.00 0.35 0.00 0.00 41.96 41.82 2k54 s TYR 63 CO 0.39 -0.47 0.66 0.20 -1.34 0.00 0.00 175.55 174.99 2k54 s GLY 64 N 2.46 2.31 -0.34 8.97 0.00 -1.26 -0.61 107.32 118.85 2k54 s GLY 64 Ca 0.03 -0.07 0.03 0.00 0.00 0.00 0.00 44.72 44.71 2k54 s GLY 64 CO -0.11 1.24 0.05 1.85 0.00 0.00 0.00 173.10 176.13 2k54 s GLU 65 N 1.37 1.59 -0.30 2.90 2.12 -0.99 -4.83 118.70 120.55 2k54 s GLU 65 Ca 0.33 -1.83 -0.19 0.00 0.36 0.00 0.00 54.97 53.64 2k54 s GLU 65 Cb -0.16 -3.21 -0.01 0.00 0.26 0.00 0.00 34.13 31.00 2k54 s GLU 65 CO 0.13 -0.92 0.58 -1.17 -0.54 0.00 0.00 175.26 173.35 2k54 s LEU 66 N 0.94 4.14 -0.26 2.70 0.20 -1.26 -1.05 118.68 124.08 2k54 s LEU 66 Ca 0.09 0.40 -0.10 0.00 0.69 0.00 0.00 54.13 55.21 2k54 s LEU 66 Cb -0.19 -2.74 -0.15 0.00 -0.43 0.00 0.00 46.19 42.68 2k54 s LEU 66 CO -0.07 -0.42 -0.23 0.00 -0.29 0.00 0.00 176.35 175.33 2k54 n LEU 67 N 5.76 2.24 -4.27 -0.68 -0.00 -1.23 -5.01 117.00 113.81 2k54 n LEU 67 Ca -0.02 0.22 -0.29 0.00 -0.00 0.00 0.00 56.01 55.91 2k54 n LEU 67 Cb 0.49 -0.87 -0.16 0.00 -0.00 0.00 0.00 43.42 42.88 2k54 n LEU 67 CO 0.44 0.65 -0.55 -0.89 -0.00 0.00 0.00 177.39 177.04 2k54 s THR 68 N -2.50 1.88 -0.08 1.47 2.01 -1.19 -5.09 115.64 112.14 2k54 s THR 68 Ca -0.36 -1.01 -0.03 0.00 0.31 0.00 0.00 61.69 60.59 2k54 s THR 68 Cb 0.12 -1.56 0.05 0.00 0.01 0.00 0.00 72.50 71.11 2k54 s THR 68 CO 0.54 0.53 0.17 0.00 -0.69 0.00 0.00 174.62 175.17 2k54 s ARG 69 N -0.50 0.08 0.14 4.92 1.70 -1.26 -1.11 118.95 122.92 2k54 s ARG 69 Ca 0.08 0.50 0.07 0.00 -0.47 0.00 0.00 55.73 55.90 2k54 s ARG 69 Cb -0.10 -0.20 -0.04 0.00 -0.57 0.00 0.00 34.95 34.05 2k54 s ARG 69 CO -0.00 -0.23 -0.02 0.14 -1.08 0.00 0.00 175.30 174.10 2k54 s VAL 70 N 1.74 3.73 0.01 4.99 -7.23 -0.03 -4.99 120.40 118.62 2k54 s VAL 70 Ca -0.03 -1.27 0.01 0.00 -1.81 0.00 0.00 61.98 58.87 2k54 s VAL 70 Cb -0.12 -2.82 -0.01 0.00 0.56 0.00 0.00 36.38 33.99 2k54 s VAL 70 CO -0.06 -0.00 -0.03 -0.51 -0.31 0.00 0.00 175.10 174.18 2k54 s ILE 71 N -1.51 0.21 -0.28 -0.62 2.07 -1.26 -1.06 121.20 118.75 2k54 s ILE 71 Ca 0.26 -0.52 0.00 0.00 -1.41 0.00 0.00 60.65 58.97 2k54 s ILE 71 Cb -0.10 -0.26 0.14 0.00 0.13 0.00 0.00 42.46 42.37 2k54 s ILE 71 CO 0.17 -0.21 0.34 0.54 -1.91 0.00 0.00 174.94 173.88 2k54 s VAL 72 N -0.73 -0.51 0.00 4.00 0.11 -0.66 -5.03 120.40 117.57 2k54 s VAL 72 Ca -0.06 -0.35 0.00 0.00 -2.93 0.00 0.00 61.98 58.64 2k54 s VAL 72 Cb -0.05 -0.95 0.00 0.00 -1.53 0.00 0.00 36.38 33.84 2k54 s VAL 72 CO -0.00 -0.35 0.00 0.61 -3.33 0.00 0.00 175.10 172.03 2k54 n GLY 73 N 5.33 3.23 1.79 6.54 0.00 -1.26 -2.58 105.19 118.24 2k54 n GLY 73 Ca -0.01 -0.15 0.07 0.00 0.00 0.00 0.00 46.02 45.93 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 7.90 5.38 -3.97 1.61 6.94 -1.26 -4.86 115.26 126.99 2k54 n ASN 74 Ca 0.00 -2.82 -0.17 0.00 -0.02 0.00 0.00 54.58 51.57 2k54 n ASN 74 Cb 0.00 -0.66 -0.15 0.00 -2.36 0.00 0.00 39.78 36.61 2k54 n ASN 74 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2k54 s VAL 75 N -2.56 0.48 0.01 3.53 0.11 -1.07 -0.69 120.40 120.21 2k54 s VAL 75 Ca 0.51 -0.25 0.06 0.00 -2.93 0.00 0.00 61.98 59.38 2k54 s VAL 75 Cb 0.38 -0.41 -0.02 0.00 -1.53 0.00 0.00 36.38 34.80 2k54 s VAL 75 CO 0.16 0.14 -0.20 -0.69 -3.33 0.00 0.00 175.10 171.18 2k54 s VAL 76 N -0.07 1.59 -0.42 2.04 1.01 -0.68 -1.66 120.40 122.21 2k54 s VAL 76 Ca 0.01 -0.97 -0.09 0.00 0.00 0.00 0.00 61.98 60.94 2k54 s VAL 76 Cb -0.03 -1.34 0.08 0.00 0.00 0.00 0.00 36.38 35.09 2k54 s VAL 76 CO -0.00 0.35 0.25 -0.63 0.00 0.00 0.00 175.10 175.07 2k54 s ILE 77 N -0.59 4.14 -0.35 2.22 -1.09 -0.23 -1.83 121.20 123.48 2k54 s ILE 77 Ca 0.07 -1.46 -0.13 0.00 -2.23 0.00 0.00 60.65 56.91 2k54 s ILE 77 Cb -0.08 -3.56 -0.01 0.00 -1.58 0.00 0.00 42.46 37.23 2k54 s ILE 77 CO 0.00 -0.52 0.24 1.51 -1.23 0.00 0.00 174.94 174.93 2k54 s ASP 78 N 2.11 5.97 -0.34 3.58 -4.77 -0.70 -0.85 116.67 121.67 2k54 s ASP 78 Ca 0.03 -0.56 -0.09 0.00 -3.30 0.00 0.00 52.55 48.64 2k54 s ASP 78 Cb -0.23 -2.11 0.02 0.00 -1.09 0.00 0.00 42.92 39.50 2k54 s ASP 78 CO 0.01 -0.28 0.15 -2.28 0.70 0.00 0.00 175.17 173.48 2k54 s HIS 79 N 1.69 3.22 0.36 2.11 2.46 -0.26 -1.28 115.29 123.59 2k54 s HIS 79 Ca 0.05 -0.98 0.08 0.00 0.47 0.00 0.00 55.06 54.68 2k54 s HIS 79 Cb -0.18 -2.36 -0.03 0.00 -0.13 0.00 0.00 32.58 29.88 2k54 s HIS 79 CO 0.10 -0.61 0.26 -1.21 -2.47 0.00 0.00 174.74 170.81 2k54 s GLU 80 N 1.53 2.54 -0.53 2.88 2.02 -0.48 -3.15 118.70 123.51 2k54 s GLU 80 Ca 0.02 -1.47 -0.16 0.00 0.02 0.00 0.00 54.97 53.38 2k54 s GLU 80 Cb -0.18 -2.33 0.12 0.00 0.10 0.00 0.00 34.13 31.83 2k54 s GLU 80 CO 0.05 0.01 0.48 0.99 0.02 0.00 0.00 175.26 176.81 2k54 s THR 81 N -2.40 5.21 0.09 3.63 2.01 -0.22 -1.17 115.64 122.79 2k54 s THR 81 Ca 0.42 -1.43 -0.22 0.00 0.31 0.00 0.00 61.69 60.77 2k54 s THR 81 Cb -0.03 -4.30 -0.07 0.00 0.01 0.00 0.00 72.50 68.10 2k54 s THR 81 CO 0.25 -0.82 0.67 0.68 -0.69 0.00 0.00 174.62 174.71 2k54 s VAL 82 N 1.61 4.63 -0.27 3.82 -7.23 -0.23 -2.35 120.40 120.38 2k54 s VAL 82 Ca 0.03 1.44 -0.15 0.00 -1.81 0.00 0.00 61.98 61.50 2k54 s VAL 82 Cb -0.29 -4.02 -0.04 0.00 0.56 0.00 0.00 36.38 32.60 2k54 s VAL 82 CO 0.04 0.50 0.36 -0.89 -0.31 0.00 0.00 175.10 174.80 2k54 s THR 83 N -0.86 5.19 0.00 5.32 2.01 0.22 -0.86 115.64 126.66 2k54 s THR 83 Ca 0.33 0.54 0.00 0.00 0.31 0.00 0.00 61.69 62.87 2k54 s THR 83 Cb -0.21 -3.69 0.00 0.00 0.01 0.00 0.00 72.50 68.62 2k54 s THR 83 CO 0.22 0.17 0.00 0.54 -0.69 0.00 0.00 174.62 174.85 2k54 n ARG 84 N 5.29 3.01 -3.78 4.92 1.74 -0.95 -3.67 116.66 123.22 2k54 n ARG 84 Ca -0.09 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.71 2k54 n ARG 84 Cb 0.51 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.79 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 -0.17 3.11 -0.04 0.55 3.04 -1.24 -4.20 114.94 115.99 2k54 s ASN 85 Ca 0.00 -0.90 -0.01 0.00 0.04 0.00 0.00 52.86 51.99 2k54 s ASN 85 Cb 0.00 -0.73 -0.04 0.00 -1.54 0.00 0.00 41.25 38.95 2k54 s ASN 85 CO 0.00 -0.29 0.06 -0.36 -3.04 0.00 0.00 177.10 173.47 2k54 s PHE 86 N 1.75 3.26 -1.01 0.43 0.08 -0.28 -4.92 117.98 117.30 2k54 s PHE 86 Ca -0.02 0.22 0.16 0.00 0.12 0.00 0.00 56.93 57.41 2k54 s PHE 86 Cb -0.17 -1.77 0.69 0.00 -0.57 0.00 0.00 43.02 41.20 2k54 s PHE 86 CO -0.08 0.54 1.51 -0.35 -0.10 0.00 0.00 175.22 176.75 2k54 n PRO 87 N 1.55 0.01 0.05 0.24 -0.04 -1.26 -2.29 135.00 133.25 2k54 n PRO 87 Ca -0.15 0.22 0.13 0.00 -0.04 0.00 0.00 63.50 63.65 2k54 n PRO 87 Cb 0.53 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.80 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 -1.49 0.18 0.00 0.54 0.00 -1.26 -5.03 120.64 113.57 2k54 n GLU 88 Ca 0.04 0.08 0.00 0.00 0.00 0.00 0.00 57.16 57.28 2k54 n GLU 88 Cb 0.19 -1.65 0.00 0.00 0.00 0.00 0.00 31.44 29.98 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 1.39 -0.55 0.00 -1.84 0.00 -0.97 -5.01 105.19 98.21 2k54 n GLY 89 Ca 0.05 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 -4.29 118.16 117.22 2k54 n LYS 90 Ca 0.00 0.38 0.00 0.00 -0.00 0.00 0.00 58.31 58.69 2k54 n LYS 90 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 35.03 34.03 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 1.40 1.94 3.65 3.14 0.00 -1.26 -1.12 105.19 112.94 2k54 n GLY 91 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.14 4.16 0.03 1.61 1.03 -1.13 -2.25 118.70 122.01 2k54 s GLU 92 Ca 0.00 0.51 0.07 0.00 0.03 0.00 0.00 54.97 55.59 2k54 s GLU 92 Cb 0.00 -3.60 -0.02 0.00 -0.80 0.00 0.00 34.13 29.71 2k54 s GLU 92 CO 0.00 -0.27 -0.22 0.14 -1.33 0.00 0.00 175.26 173.58 2k54 s VAL 93 N 2.04 1.75 -0.51 1.83 -7.23 -0.04 -2.77 120.40 115.47 2k54 s VAL 93 Ca 0.26 -1.16 -0.29 0.00 -1.81 0.00 0.00 61.98 58.98 2k54 s VAL 93 Cb -0.16 -1.50 0.03 0.00 0.56 0.00 0.00 36.38 35.31 2k54 s VAL 93 CO 0.10 0.30 1.20 -1.81 -0.31 0.00 0.00 175.10 174.57 2k54 s ASP 94 N -1.03 6.51 -0.02 4.85 1.01 -1.22 -1.06 116.67 125.70 2k54 s ASP 94 Ca 0.08 0.36 0.06 0.00 0.71 0.00 0.00 52.55 53.77 2k54 s ASP 94 Cb -0.09 -2.55 -0.01 0.00 1.01 0.00 0.00 42.92 41.28 2k54 s ASP 94 CO 0.01 -1.38 -0.21 -0.69 0.21 0.00 0.00 175.17 173.11 2k54 s VAL 95 N 4.82 1.70 -0.21 -1.27 1.01 -0.32 -0.38 120.40 125.74 2k54 s VAL 95 Ca 0.48 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 61.55 2k54 s VAL 95 Cb -0.08 -1.42 0.02 0.00 0.00 0.00 0.00 36.38 34.90 2k54 s VAL 95 CO 0.29 0.48 -0.13 0.00 0.00 0.00 0.00 175.10 175.75 2k54 s ALA 96 N -0.39 2.53 -0.23 5.51 0.00 -0.45 -1.38 121.76 127.35 2k54 s ALA 96 Ca 0.05 -1.32 -0.16 0.00 0.00 0.00 0.00 51.96 50.53 2k54 s ALA 96 Cb -0.09 -1.44 -0.04 0.00 0.00 0.00 0.00 23.12 21.55 2k54 s ALA 96 CO 0.00 -0.56 0.41 0.00 0.00 0.00 0.00 175.76 175.62 2k54 s ILE 98 N 1.64 4.52 -0.21 0.00 2.07 0.32 -1.72 121.20 127.81 2k54 s ILE 98 Ca 0.19 -1.28 -0.11 0.00 -1.41 0.00 0.00 60.65 58.04 2k54 s ILE 98 Cb -0.15 -3.73 -0.05 0.00 0.13 0.00 0.00 42.46 38.66 2k54 s ILE 98 CO 0.09 -0.51 0.16 -0.31 -1.91 0.00 0.00 174.94 172.46 2k54 s TYR 99 N 1.49 3.37 -0.36 3.50 2.02 -0.76 -1.45 117.35 125.16 2k54 s TYR 99 Ca 0.03 0.32 -0.13 0.00 -0.37 0.00 0.00 57.07 56.92 2k54 s TYR 99 Cb -0.23 -2.23 -0.00 0.00 -0.40 0.00 0.00 41.96 39.10 2k54 s TYR 99 CO 0.04 0.19 0.26 -2.00 -1.57 0.00 0.00 175.55 172.46 2k54 s GLU 100 N 0.68 3.27 -0.21 -0.62 2.12 0.18 -1.69 118.70 122.42 2k54 s GLU 100 Ca 0.09 -0.80 -0.13 0.00 0.36 0.00 0.00 54.97 54.49 2k54 s GLU 100 Cb -0.12 -3.85 -0.05 0.00 0.26 0.00 0.00 34.13 30.37 2k54 s GLU 100 CO 0.01 -0.56 0.27 0.08 -0.54 0.00 0.00 175.26 174.52 2k54 s VAL 101 N 1.69 5.29 -0.01 3.70 1.01 0.13 -2.14 120.40 130.08 2k54 s VAL 101 Ca 0.05 0.44 0.03 0.00 0.00 0.00 0.00 61.98 62.50 2k54 s VAL 101 Cb -0.18 -3.61 -0.00 0.00 0.00 0.00 0.00 36.38 32.59 2k54 s VAL 101 CO 0.10 0.32 -0.09 -0.70 0.00 0.00 0.00 175.10 174.73 2k54 s GLU 102 N 1.04 0.74 -1.53 2.72 2.56 0.47 -4.79 118.70 119.92 2k54 s GLU 102 Ca 0.13 -0.31 0.00 0.00 0.00 0.00 0.00 54.97 54.79 2k54 s GLU 102 Cb -0.14 -0.72 0.00 0.00 2.00 0.00 0.00 34.13 35.28 2k54 s GLU 102 CO 0.05 0.17 0.00 0.09 -0.56 0.00 0.00 175.26 175.02 2k54 n ASN 103 N 2.94 -5.16 0.00 -1.70 3.02 -1.26 -2.32 115.26 110.78 2k54 n ASN 103 Ca -0.14 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.42 2k54 n ASN 103 Cb 0.56 -4.24 0.00 0.00 -0.61 0.00 0.00 39.78 35.50 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 -1.01 0.30 3.17 7.41 0.00 -1.26 -5.00 105.19 108.80 2k54 n GLY 104 Ca -0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.87 1.07 -0.60 1.61 1.81 -0.98 -4.77 118.95 116.22 2k54 s ARG 105 Ca 0.00 -0.80 -0.27 0.00 -1.72 0.00 0.00 55.73 52.95 2k54 s ARG 105 Cb 0.00 -1.11 -0.02 0.00 -0.45 0.00 0.00 34.95 33.37 2k54 s ARG 105 CO 0.00 0.28 1.85 0.42 -0.68 0.00 0.00 175.30 177.17 2k54 s ILE 106 N -0.81 3.36 -0.62 1.52 1.01 -0.61 -0.40 121.20 124.65 2k54 s ILE 106 Ca 0.03 0.22 0.24 0.00 0.00 0.00 0.00 60.65 61.15 2k54 s ILE 106 Cb -0.08 -3.93 0.07 0.00 0.01 0.00 0.00 42.46 38.53 2k54 s ILE 106 CO 0.01 -0.89 1.35 0.00 0.00 0.00 0.00 174.94 175.41 2k54 h ALA 107 N 14.83 0.62 -2.88 9.38 0.00 -1.67 -0.71 119.26 138.83 2k54 h ALA 107 Ca -0.26 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.48 2k54 h ALA 107 Cb 1.16 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 18.67 2k54 h ALA 107 CO 1.21 0.00 -0.42 0.15 0.00 0.00 0.00 179.25 180.19 2k54 s LYS 108 N -3.17 0.27 -0.05 0.00 1.02 -0.91 -1.59 119.74 115.31 2k54 s LYS 108 Ca 0.06 0.63 0.03 0.00 0.02 0.00 0.00 55.97 56.71 2k54 s LYS 108 Cb 0.13 -0.08 0.01 0.00 -0.52 0.00 0.00 37.83 37.36 2k54 s LYS 108 CO 0.71 -0.16 -0.13 0.00 -0.92 0.00 0.00 175.35 174.84 2k54 s ALA 109 N 1.34 1.28 0.07 5.17 0.00 -0.45 -0.65 121.76 128.53 2k54 s ALA 109 Ca -0.09 -0.50 0.03 0.00 0.00 0.00 0.00 51.96 51.40 2k54 s ALA 109 Cb -0.10 -0.50 -0.03 0.00 0.00 0.00 0.00 23.12 22.49 2k54 s ALA 109 CO -0.10 0.18 -0.10 -1.58 0.00 0.00 0.00 175.76 174.16 2k54 s TRP 110 N 0.36 0.92 -0.00 0.00 0.51 -0.53 -0.97 118.94 119.23 2k54 s TRP 110 Ca -0.09 -0.58 -0.06 0.00 -2.12 0.00 0.00 56.10 53.26 2k54 s TRP 110 Cb -0.13 -0.53 -0.00 0.00 -0.81 0.00 0.00 33.47 32.00 2k54 s TRP 110 CO 0.03 -0.04 0.11 -0.59 -0.51 0.00 0.00 176.95 175.95 2k54 s PHE 111 N -1.90 0.05 -0.09 -1.98 -0.71 -1.20 -0.52 117.98 111.64 2k54 s PHE 111 Ca -0.02 -0.14 0.03 0.00 -1.04 0.00 0.00 56.93 55.77 2k54 s PHE 111 Cb -0.06 -0.06 0.01 0.00 -1.21 0.00 0.00 43.02 41.69 2k54 s PHE 111 CO 0.00 -0.24 -0.19 -1.59 -1.34 0.00 0.00 175.22 171.86 2k54 s LYS 112 N -1.20 2.48 -0.14 1.99 -2.85 -0.51 -1.90 119.74 117.62 2k54 s LYS 112 Ca -0.13 -0.68 -0.20 0.00 -1.00 0.00 0.00 55.97 53.96 2k54 s LYS 112 Cb -0.07 -1.93 -0.04 0.00 -2.06 0.00 0.00 37.83 33.74 2k54 s LYS 112 CO 0.01 0.11 0.56 0.42 0.10 0.00 0.00 175.35 176.54 2k54 s ILE 113 N 0.50 5.11 0.00 3.79 1.01 -1.26 -1.34 121.20 129.02 2k54 s ILE 113 Ca -0.17 1.10 0.00 0.00 0.00 0.00 0.00 60.65 61.58 2k54 s ILE 113 Cb -0.17 -3.89 0.00 0.00 0.01 0.00 0.00 42.46 38.41 2k54 s ILE 113 CO 0.06 0.24 0.18 0.61 0.00 0.00 0.00 174.94 176.03 2k54 n GLY 114 N 3.44 -0.29 3.51 6.18 0.00 0.49 -5.00 105.19 113.52 2k54 n GLY 114 Ca -0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.94 1.41 0.12 1.61 -1.05 -1.25 -5.03 118.70 113.57 2k54 s GLU 115 Ca 0.00 -1.12 -0.25 0.00 -0.15 0.00 0.00 54.97 53.44 2k54 s GLU 115 Cb 0.00 0.46 -0.07 0.00 -0.44 0.00 0.00 34.13 34.08 2k54 s GLU 115 CO 0.00 -0.58 0.78 -1.25 0.95 0.00 0.00 175.26 175.16 2k54 s PRO 116 N -3.97 4.54 0.07 -4.83 0.04 -1.26 -3.43 135.00 126.16 2k54 s PRO 116 Ca 0.17 1.13 0.05 0.00 0.04 0.00 0.00 61.00 62.39 2k54 s PRO 116 Cb 0.00 -3.30 -0.03 0.00 0.04 0.00 0.00 34.50 31.21 2k54 s PRO 116 CO 0.04 0.45 -0.13 1.03 0.04 0.00 0.00 177.00 178.42 2k54 s ARG 117 N -0.70 0.79 -0.05 4.56 1.81 -1.12 -5.00 118.95 119.25 2k54 s ARG 117 Ca 0.37 -0.92 0.02 0.00 -1.72 0.00 0.00 55.73 53.48 2k54 s ARG 117 Cb -0.22 -0.78 0.01 0.00 -0.45 0.00 0.00 34.95 33.52 2k54 s ARG 117 CO 0.25 0.17 -0.09 0.42 -0.68 0.00 0.00 175.30 175.38 2k54 s ILE 118 N -1.25 0.84 0.25 1.52 -1.09 -1.26 -2.85 121.20 117.35 2k54 s ILE 118 Ca -0.03 -0.33 -0.04 0.00 -2.23 0.00 0.00 60.65 58.03 2k54 s ILE 118 Cb -0.10 -0.78 0.12 0.00 -1.58 0.00 0.00 42.46 40.12 2k54 s ILE 118 CO 0.02 0.28 1.76 0.58 -1.23 0.00 0.00 174.94 176.35 2k54 h VAL 119 N 5.87 1.24 0.00 2.92 2.07 -1.96 -2.83 116.25 123.56 2k54 h VAL 119 Ca -0.34 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.23 2k54 h VAL 119 Cb 1.17 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 2k54 h VAL 119 CO 0.48 0.35 0.00 0.28 0.02 0.00 0.00 177.57 178.70 2k54 h SER 120 N 0.85 0.00 -1.71 0.57 0.02 -1.97 -3.41 113.55 107.90 2k54 h SER 120 Ca 0.17 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.67 2k54 h SER 120 Cb 0.39 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 2k54 h SER 120 CO 0.01 0.00 1.33 -1.58 -1.14 0.00 0.00 176.83 175.45 2k54 s GLN 121 N -3.35 2.43 -0.20 3.45 0.74 -1.07 -4.91 119.66 116.74 2k54 s GLN 121 Ca 0.05 0.76 -0.04 0.00 0.05 0.00 0.00 55.36 56.18 2k54 s GLN 121 Cb 0.08 -4.51 0.10 0.00 1.10 0.00 0.00 33.01 29.77 2k54 s GLN 121 CO 0.60 -3.01 0.31 0.21 -0.55 0.00 0.00 175.29 172.84 2k54 s LYS 122 N 7.46 0.25 0.00 1.67 2.47 -1.26 -4.92 119.74 125.41 2k54 s LYS 122 Ca 0.77 0.52 0.27 0.00 -1.56 0.00 0.00 55.97 55.98 2k54 s LYS 122 Cb -0.13 -0.54 0.93 0.00 -1.46 0.00 0.00 37.83 36.63 2k54 s LYS 122 CO 0.20 -0.53 1.67 0.45 0.16 0.00 0.00 175.35 177.30