#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 -0.24 -0.15 6.12 2.04 -1.26 -4.91 115.26 116.86 2k54 n ASN 2 Ca 0.00 -1.60 -0.05 0.00 -0.44 0.00 0.00 54.58 52.50 2k54 n ASN 2 Cb 0.00 0.05 0.15 0.00 -2.53 0.00 0.00 39.78 37.44 2k54 n ASN 2 CO 0.00 0.00 0.00 0.77 -0.44 0.00 0.00 177.26 177.59 2k54 h SER 3 N 0.11 0.83 -0.03 0.53 4.64 -1.98 -1.97 113.55 115.68 2k54 h SER 3 Ca -0.23 -0.18 0.01 0.00 -0.47 0.00 0.00 61.79 60.92 2k54 h SER 3 Cb 1.30 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 63.17 2k54 h SER 3 CO -0.09 0.85 0.05 1.05 -0.87 0.00 0.00 176.83 177.82 2k54 h GLU 4 N 0.83 0.00 0.00 4.77 4.11 -1.99 -0.67 114.58 121.63 2k54 h GLU 4 Ca 0.17 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 59.31 2k54 h GLU 4 Cb 0.39 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 2k54 h GLU 4 CO 0.01 0.00 -1.87 -0.89 0.07 0.00 0.00 179.01 176.33 2k54 n ILE 5 N -3.50 1.46 0.17 -1.06 2.08 -0.80 -4.09 119.36 113.62 2k54 n ILE 5 Ca -0.02 -0.80 0.05 0.00 0.56 0.00 0.00 62.75 62.55 2k54 n ILE 5 Cb 0.14 -0.82 0.15 0.00 -0.75 0.00 0.00 39.64 38.36 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 0.00 0.72 0.38 5.08 -0.75 -3.36 114.58 116.64 2k54 h GLU 6 Ca -0.34 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.99 2k54 h GLU 6 Cb 2.01 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.26 2k54 h GLU 6 CO 0.06 0.37 -0.34 -0.07 -1.00 0.00 0.00 179.01 178.03 2k54 h LEU 7 N 0.00 -0.81 -0.27 1.33 3.38 -1.30 -2.48 115.31 115.15 2k54 h LEU 7 Ca -0.00 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.03 2k54 h LEU 7 Cb 1.18 0.21 -0.05 0.00 0.09 0.00 0.00 40.66 42.09 2k54 h LEU 7 CO 0.05 -0.53 -0.08 1.55 0.09 0.00 0.00 178.44 179.52 2k54 h PRO 8 N -1.05 -0.01 -0.16 1.13 0.13 -1.76 -1.89 132.00 128.39 2k54 h PRO 8 Ca -0.10 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.97 2k54 h PRO 8 Cb 0.76 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.88 2k54 h PRO 8 CO 0.16 -0.01 -0.20 -0.39 -0.23 0.00 0.00 178.00 177.33 2k54 h VAL 9 N -0.01 1.22 0.03 1.56 -1.51 -1.71 -1.63 116.25 114.20 2k54 h VAL 9 Ca 0.13 -1.00 -0.00 0.00 -1.23 0.00 0.00 66.70 64.60 2k54 h VAL 9 Cb 0.21 1.32 0.00 0.00 -2.13 0.00 0.00 31.29 30.70 2k54 h VAL 9 CO -0.29 0.31 -0.01 -0.61 -1.23 0.00 0.00 177.57 175.74 2k54 h GLN 10 N 0.25 -0.04 -0.04 5.19 -0.00 -1.05 -3.15 115.11 116.27 2k54 h GLN 10 Ca 0.04 0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.62 2k54 h GLN 10 Cb 0.50 0.01 -0.01 0.00 0.00 0.00 0.00 27.48 27.98 2k54 h GLN 10 CO 0.03 0.50 -0.33 0.87 0.00 0.00 0.00 178.83 179.91 2k54 h LYS 11 N -0.60 0.07 -0.12 1.69 1.79 -1.20 -2.77 116.57 115.43 2k54 h LYS 11 Ca -0.00 -0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.45 2k54 h LYS 11 Cb 0.55 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.19 2k54 h LYS 11 CO 0.01 0.39 0.04 1.96 -1.08 0.00 0.00 179.45 180.77 2k54 h GLN 12 N 0.06 0.10 -0.26 3.15 4.20 -1.35 -2.42 115.11 118.59 2k54 h GLN 12 Ca 0.01 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.74 2k54 h GLN 12 Cb 0.61 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.34 2k54 h GLN 12 CO 0.04 0.07 0.09 1.25 -0.67 0.00 0.00 178.83 179.61 2k54 h LEU 13 N 0.11 0.09 -0.77 1.46 7.12 -1.45 0.39 115.31 122.26 2k54 h LEU 13 Ca 0.05 0.03 0.04 0.00 0.13 0.00 0.00 57.88 58.13 2k54 h LEU 13 Cb 0.02 0.02 -0.05 0.00 -0.53 0.00 0.00 40.66 40.12 2k54 h LEU 13 CO -0.05 0.09 0.48 -0.33 -0.13 0.00 0.00 178.44 178.50 2k54 h GLU 14 N 0.20 0.90 0.00 1.25 4.39 -1.51 -1.28 114.58 118.53 2k54 h GLU 14 Ca 0.12 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.68 2k54 h GLU 14 Cb 0.09 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 2k54 h GLU 14 CO -0.12 0.59 -0.37 0.00 -1.16 0.00 0.00 179.01 177.95 2k54 h ALA 15 N 1.34 0.96 -0.27 3.43 0.00 -0.89 -2.70 119.26 121.12 2k54 h ALA 15 Ca 0.31 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2k54 h ALA 15 Cb 0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2k54 h ALA 15 CO -0.13 0.47 -0.12 -0.92 0.00 0.00 0.00 179.25 178.55 2k54 h TYR 16 N 0.00 0.65 0.00 0.00 3.20 0.98 0.46 116.97 122.25 2k54 h TYR 16 Ca -0.00 -0.16 -0.24 0.00 3.14 0.00 0.00 58.73 61.47 2k54 h TYR 16 Cb 0.93 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 39.01 2k54 h TYR 16 CO 0.00 0.80 -1.35 -2.95 -1.64 0.00 0.00 178.16 173.02 2k54 h ASN 17 N 0.31 0.00 0.36 -2.11 7.08 -1.63 -3.29 115.58 116.30 2k54 h ASN 17 Ca 0.06 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.28 2k54 h ASN 17 Cb 0.62 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.86 2k54 h ASN 17 CO 0.04 0.96 -0.06 0.00 -2.08 0.00 0.00 177.43 176.29 2k54 n ALA 18 N -2.45 2.67 -1.63 4.14 0.00 -1.02 -4.93 120.51 117.29 2k54 n ALA 18 Ca -0.09 -0.23 -0.11 0.00 0.00 0.00 0.00 53.44 53.02 2k54 n ALA 18 Cb 0.98 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 19.00 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 -1.01 -0.77 -2.99 0.00 5.12 -0.05 -4.98 116.66 111.99 2k54 n ARG 19 Ca 0.16 0.74 -0.44 0.00 -1.93 0.00 0.00 57.85 56.38 2k54 n ARG 19 Cb 0.25 -4.74 -0.03 0.00 -1.16 0.00 0.00 32.46 26.78 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 -2.76 6.43 0.42 0.55 1.01 -0.06 -4.87 116.67 117.40 2k54 s ASP 20 Ca 0.00 -1.72 0.16 0.00 0.71 0.00 0.00 52.55 51.71 2k54 s ASP 20 Cb 0.00 -2.37 0.93 0.00 1.01 0.00 0.00 42.92 42.49 2k54 s ASP 20 CO 0.00 -1.12 1.91 0.40 0.21 0.00 0.00 175.17 176.56 2k54 h ILE 21 N 5.79 1.07 -0.33 0.77 1.08 -1.94 -2.17 117.51 121.78 2k54 h ILE 21 Ca -0.05 -0.99 0.02 0.00 -0.39 0.00 0.00 64.86 63.44 2k54 h ILE 21 Cb 1.05 1.55 -0.02 0.00 -3.07 0.00 0.00 36.82 36.33 2k54 h ILE 21 CO 1.09 0.27 0.18 0.44 -0.69 0.00 0.00 178.15 179.44 2k54 h ASP 22 N 0.00 0.27 0.67 1.72 3.32 -1.97 0.25 116.42 120.69 2k54 h ASP 22 Ca -0.00 0.01 -0.27 0.00 0.02 0.00 0.00 57.03 56.79 2k54 h ASP 22 Cb 0.53 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 2k54 h ASP 22 CO 0.04 0.20 -1.26 0.00 -1.72 0.00 0.00 179.24 176.50 2k54 h ALA 23 N 1.16 0.19 0.00 3.45 0.00 -1.95 0.10 119.26 122.22 2k54 h ALA 23 Ca 0.14 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 54.10 2k54 h ALA 23 Cb 0.03 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2k54 h ALA 23 CO -0.08 1.07 0.00 0.34 0.00 0.00 0.00 179.25 180.58 2k54 n PHE 24 N -3.47 0.00 0.00 0.00 7.35 -0.82 -2.91 117.46 117.61 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 1.01 -0.44 0.00 0.00 0.35 0.00 0.00 39.48 40.40 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 -1.44 1.00 0.25 -4.13 1.56 0.06 -4.81 117.12 109.60 2k54 n MET 25 Ca 0.04 0.00 0.08 0.00 -0.27 0.00 0.00 57.70 57.55 2k54 n MET 25 Cb 0.13 -0.99 0.63 0.00 2.15 0.00 0.00 33.22 35.14 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 0.00 1.73 -0.51 -5.12 0.00 -0.66 -1.77 119.26 112.93 2k54 h ALA 26 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2k54 h ALA 26 Cb 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2k54 h ALA 26 CO 0.00 0.11 0.00 0.91 0.00 0.00 0.00 179.25 180.27 2k54 n TRP 27 N -4.26 0.68 -4.00 0.00 7.02 -1.25 -4.91 117.44 110.72 2k54 n TRP 27 Ca -0.03 -0.34 -0.28 0.00 -1.02 0.00 0.00 57.50 55.83 2k54 n TRP 27 Cb 0.17 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.02 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 -1.32 3.33 0.29 -5.99 0.52 -0.67 -1.55 118.94 113.56 2k54 s TRP 28 Ca 0.35 0.09 -0.29 0.00 0.02 0.00 0.00 56.10 56.28 2k54 s TRP 28 Cb 0.19 -1.63 -0.09 0.00 -1.15 0.00 0.00 33.47 30.78 2k54 s TRP 28 CO 0.24 0.53 1.09 0.00 0.02 0.00 0.00 176.95 178.84 2k54 s ALA 29 N -1.64 3.38 -0.79 0.98 0.00 -0.44 -4.62 121.76 118.64 2k54 s ALA 29 Ca 0.33 0.88 0.16 0.00 0.00 0.00 0.00 51.96 53.32 2k54 s ALA 29 Cb -0.11 -3.32 0.68 0.00 0.00 0.00 0.00 23.12 20.36 2k54 s ALA 29 CO 0.26 -0.16 1.48 -3.47 0.00 0.00 0.00 175.76 173.87 2k54 n ASP 30 N 1.10 0.23 -0.47 0.00 2.03 -1.26 -1.85 116.55 116.33 2k54 n ASP 30 Ca -0.01 0.57 0.08 0.00 0.52 0.00 0.00 54.79 55.95 2k54 n ASP 30 Cb 0.45 -0.61 0.19 0.00 -0.72 0.00 0.00 41.12 40.43 2k54 n ASP 30 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2k54 n ASP 31 N -1.77 2.91 -4.74 1.67 8.00 -1.26 -1.59 116.55 119.77 2k54 n ASP 31 Ca 0.02 -3.15 -0.38 0.00 0.71 0.00 0.00 54.79 51.99 2k54 n ASP 31 Cb 0.15 -0.49 0.05 0.00 -0.02 0.00 0.00 41.12 40.81 2k54 n ASP 31 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k54 s GLN 33 N -3.05 2.59 -0.36 0.00 -1.52 -0.70 -0.62 119.66 116.00 2k54 s GLN 33 Ca 0.75 -1.43 -0.12 0.00 -1.95 0.00 0.00 55.36 52.62 2k54 s GLN 33 Cb -0.40 -3.73 0.01 0.00 -0.22 0.00 0.00 33.01 28.66 2k54 s GLN 33 CO 0.46 -0.92 0.22 -0.47 -0.25 0.00 0.00 175.29 174.33 2k54 s TYR 34 N 1.41 3.22 0.13 0.91 5.04 -0.39 -1.24 117.35 126.43 2k54 s TYR 34 Ca 0.03 -0.63 0.05 0.00 -2.44 0.00 0.00 57.07 54.08 2k54 s TYR 34 Cb -0.22 -2.46 -0.04 0.00 0.35 0.00 0.00 41.96 39.59 2k54 s TYR 34 CO 0.02 -0.53 0.09 0.71 -1.34 0.00 0.00 175.55 174.50 2k54 s TYR 35 N 1.63 3.11 0.30 4.97 1.51 -0.20 -0.65 117.35 128.02 2k54 s TYR 35 Ca 0.04 0.00 0.10 0.00 -1.01 0.00 0.00 57.07 56.20 2k54 s TYR 35 Cb -0.18 -1.54 -0.05 0.00 -0.11 0.00 0.00 41.96 40.08 2k54 s TYR 35 CO 0.08 0.51 -0.07 0.00 -1.11 0.00 0.00 175.55 174.97 2k54 s ALA 36 N -1.58 3.04 0.08 3.71 0.00 -0.33 -2.47 121.76 124.21 2k54 s ALA 36 Ca 0.29 -1.86 -0.33 0.00 0.00 0.00 0.00 51.96 50.07 2k54 s ALA 36 Cb -0.11 -0.43 -0.12 0.00 0.00 0.00 0.00 23.12 22.46 2k54 s ALA 36 CO 0.22 0.19 1.76 0.34 0.00 0.00 0.00 175.76 178.27 2k54 n PHE 37 N -0.82 2.44 0.09 0.00 7.35 -0.58 -1.15 117.46 124.79 2k54 n PHE 37 Ca -0.05 0.03 -0.09 0.00 -0.76 0.00 0.00 57.45 56.58 2k54 n PHE 37 Cb 0.61 -2.65 -0.06 0.00 0.35 0.00 0.00 39.48 37.73 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 7.83 -0.30 -0.01 -7.13 0.13 -1.99 -3.44 132.00 127.08 2k54 h PRO 38 Ca -0.46 0.02 -0.24 0.00 -0.87 0.00 0.00 66.00 64.45 2k54 h PRO 38 Cb 1.24 0.07 -0.15 0.00 0.13 0.00 0.00 31.00 32.29 2k54 h PRO 38 CO 0.93 0.01 -0.42 0.00 -0.23 0.00 0.00 178.00 178.29 2k54 n ALA 39 N -2.64 -0.32 -2.51 -0.56 0.00 -0.30 -4.96 120.51 109.22 2k54 n ALA 39 Ca -0.07 -1.43 -0.41 0.00 0.00 0.00 0.00 53.44 51.53 2k54 n ALA 39 Cb 0.23 -1.12 -0.10 0.00 0.00 0.00 0.00 19.45 18.46 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 0.24 5.23 -0.49 0.00 2.01 -0.39 -4.84 115.64 117.40 2k54 s THR 40 Ca 0.22 -0.25 -0.27 0.00 0.31 0.00 0.00 61.69 61.71 2k54 s THR 40 Cb 0.32 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 2k54 s THR 40 CO -0.06 -0.14 2.07 -0.22 -0.69 0.00 0.00 174.62 175.58 2k54 s LEU 41 N 1.84 3.38 0.01 4.42 2.96 -1.26 -1.19 118.68 128.84 2k54 s LEU 41 Ca 0.08 0.87 -0.18 0.00 -0.22 0.00 0.00 54.13 54.68 2k54 s LEU 41 Cb -0.17 -2.76 -0.30 0.00 0.50 0.00 0.00 46.19 43.46 2k54 s LEU 41 CO 0.11 -2.41 1.02 -0.07 -1.32 0.00 0.00 176.35 173.69 2k54 h LEU 42 N 16.95 0.68 -7.19 -0.68 3.38 -1.24 -3.46 115.31 123.76 2k54 h LEU 42 Ca -0.28 -0.86 -0.41 0.00 0.09 0.00 0.00 57.88 56.42 2k54 h LEU 42 Cb 1.21 -0.22 -0.40 0.00 0.09 0.00 0.00 40.66 41.34 2k54 h LEU 42 CO 1.15 1.48 -0.74 0.00 0.09 0.00 0.00 178.44 180.42 2k54 s ALA 43 N -2.81 0.29 -0.69 1.53 0.00 -1.11 -5.00 121.76 113.97 2k54 s ALA 43 Ca -0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 51.96 51.82 2k54 s ALA 43 Cb 0.03 -0.81 0.33 0.00 0.00 0.00 0.00 23.12 22.67 2k54 s ALA 43 CO 0.88 -0.80 2.14 0.41 0.00 0.00 0.00 175.76 178.40 2k54 n GLY 44 N 5.29 5.33 0.00 0.00 0.00 -1.26 -1.26 105.19 113.29 2k54 n GLY 44 Ca -0.05 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 43.75 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 -0.37 0.00 0.25 1.61 0.23 0.21 -4.80 115.26 112.39 2k54 n ASN 45 Ca 0.54 0.00 0.12 0.00 -0.53 0.00 0.00 54.58 54.71 2k54 n ASN 45 Cb 0.44 0.00 0.61 0.00 -2.08 0.00 0.00 39.78 38.75 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 1.11 -0.12 -2.53 0.00 -1.43 -3.17 119.26 113.11 2k54 h ALA 46 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2k54 h ALA 46 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2k54 h ALA 46 CO 0.00 0.20 0.08 0.00 0.00 0.00 0.00 179.25 179.52 2k54 h ALA 47 N 1.84 0.15 -0.01 0.00 0.00 -1.93 -1.89 119.26 117.43 2k54 h ALA 47 Ca -0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 2k54 h ALA 47 Cb 0.55 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2k54 h ALA 47 CO 0.02 -0.34 -0.53 0.93 0.00 0.00 0.00 179.25 179.32 2k54 h GLU 48 N 0.14 0.02 0.19 0.00 5.08 -1.95 -2.95 114.58 115.11 2k54 h GLU 48 Ca 0.04 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2k54 h GLU 48 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2k54 h GLU 48 CO -0.01 0.54 -0.09 0.82 -1.00 0.00 0.00 179.01 179.27 2k54 h ILE 49 N 0.01 0.90 -0.51 3.13 2.04 -1.52 -2.11 117.51 119.45 2k54 h ILE 49 Ca -0.00 -0.47 -0.04 0.00 1.00 0.00 0.00 64.86 65.34 2k54 h ILE 49 Cb 0.95 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 2k54 h ILE 49 CO 0.07 0.11 0.15 0.08 0.00 0.00 0.00 178.15 178.56 2k54 h ARG 50 N -0.49 0.80 -0.47 2.37 0.11 -1.37 -2.30 114.38 113.03 2k54 h ARG 50 Ca -0.03 -0.18 -0.13 0.00 0.10 0.00 0.00 59.98 59.75 2k54 h ARG 50 Cb 0.37 -0.11 -0.01 0.00 1.11 0.00 0.00 29.97 31.33 2k54 h ARG 50 CO 0.04 0.75 -0.20 0.28 0.10 0.00 0.00 179.97 180.95 2k54 h VAL 51 N 0.70 1.27 0.00 0.08 2.07 -1.56 -2.00 116.25 116.80 2k54 h VAL 51 Ca 0.16 -1.35 -0.12 0.00 0.82 0.00 0.00 66.70 66.22 2k54 h VAL 51 Cb 0.29 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 2k54 h VAL 51 CO -0.00 0.47 -0.55 -0.09 0.02 0.00 0.00 177.57 177.41 2k54 h ARG 52 N 0.83 0.00 -0.01 1.57 2.43 -1.31 -2.85 114.38 115.04 2k54 h ARG 52 Ca 0.11 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.13 2k54 h ARG 52 Cb 0.76 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 2k54 h ARG 52 CO 0.06 0.55 -0.69 0.45 -1.51 0.00 0.00 179.97 178.84 2k54 h HIS 53 N 0.00 0.06 -0.90 2.20 3.86 -1.11 -3.11 115.15 116.15 2k54 h HIS 53 Ca -0.01 -0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.22 2k54 h HIS 53 Cb 0.99 -0.01 -0.05 0.00 1.06 0.00 0.00 27.41 29.40 2k54 h HIS 53 CO 0.00 0.72 0.59 0.82 0.86 0.00 0.00 177.93 180.92 2k54 h ILE 54 N 0.03 1.14 -0.84 2.45 2.04 -1.12 -0.94 117.51 120.27 2k54 h ILE 54 Ca -0.01 -0.38 0.06 0.00 1.00 0.00 0.00 64.86 65.53 2k54 h ILE 54 Cb 1.22 -0.07 -0.06 0.00 -0.74 0.00 0.00 36.82 37.17 2k54 h ILE 54 CO 0.09 0.20 0.52 -0.33 0.00 0.00 0.00 178.15 178.64 2k54 h GLU 55 N 1.11 0.92 -0.02 2.37 5.08 -1.54 -2.55 114.58 119.96 2k54 h GLU 55 Ca 0.36 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 58.51 2k54 h GLU 55 Cb 0.04 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 2k54 h GLU 55 CO -0.11 0.61 -0.69 -0.09 -1.00 0.00 0.00 179.01 177.73 2k54 h ARG 56 N 0.95 0.08 0.00 2.33 9.65 -1.31 -3.00 114.38 123.09 2k54 h ARG 56 Ca 0.37 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 59.18 2k54 h ARG 56 Cb 0.16 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.76 2k54 h ARG 56 CO -0.17 0.74 0.00 1.19 2.80 0.00 0.00 179.97 184.53 2k54 n PHE 57 N -3.75 0.00 0.33 2.20 3.01 -0.46 -2.54 117.46 116.25 2k54 n PHE 57 Ca -0.02 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.57 2k54 n PHE 57 Cb 0.68 0.00 0.21 0.00 -0.01 0.00 0.00 39.48 40.36 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 -6.27 -1.08 1.79 -1.39 -3.46 116.57 106.16 2k54 h LYS 58 Ca 0.00 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.92 2k54 h LYS 58 Cb 0.00 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 2k54 h LYS 58 CO 0.00 0.00 1.02 -1.21 -1.08 0.00 0.00 179.45 178.18 2k54 s GLU 59 N -3.20 4.20 0.55 3.15 8.01 -1.05 -4.91 118.70 125.46 2k54 s GLU 59 Ca 0.07 2.08 0.34 0.00 0.01 0.00 0.00 54.97 57.47 2k54 s GLU 59 Cb 0.08 -3.87 1.40 0.00 -4.31 0.00 0.00 34.13 27.43 2k54 s GLU 59 CO 0.67 -0.78 2.00 -1.00 0.01 0.00 0.00 175.26 176.15 2k54 h PRO 60 N 9.01 0.00 0.00 0.39 0.13 -1.91 -2.66 132.00 136.96 2k54 h PRO 60 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2k54 h PRO 60 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2k54 h PRO 60 CO 0.95 0.00 -0.33 -0.25 -0.23 0.00 0.00 178.00 178.14 2k54 n ASP 61 N -3.09 0.60 -4.62 1.44 9.92 -1.26 -4.91 116.55 114.63 2k54 n ASP 61 Ca 0.00 0.26 -0.43 0.00 -0.53 0.00 0.00 54.79 54.09 2k54 n ASP 61 Cb 0.30 -0.21 -0.03 0.00 -0.64 0.00 0.00 41.12 40.54 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 -3.94 3.70 -0.13 0.64 2.96 -1.00 -4.28 118.68 116.62 2k54 s LEU 62 Ca 0.09 1.90 -0.04 0.00 -0.22 0.00 0.00 54.13 55.86 2k54 s LEU 62 Cb 0.15 -3.52 0.07 0.00 0.50 0.00 0.00 46.19 43.38 2k54 s LEU 62 CO 0.65 -1.65 0.22 -0.47 -1.32 0.00 0.00 176.35 173.78 2k54 s TYR 63 N 6.93 -0.32 -0.51 5.38 5.04 -1.23 -4.87 117.35 127.77 2k54 s TYR 63 Ca 0.91 0.72 -0.20 0.00 -2.44 0.00 0.00 57.07 56.06 2k54 s TYR 63 Cb -0.32 -0.17 0.06 0.00 0.35 0.00 0.00 41.96 41.88 2k54 s TYR 63 CO 0.35 -0.38 0.67 0.20 -1.34 0.00 0.00 175.55 175.05 2k54 s GLY 64 N 2.36 1.73 -0.49 8.97 0.00 -1.26 -1.20 107.32 117.42 2k54 s GLY 64 Ca 0.03 -1.67 -0.18 0.00 0.00 0.00 0.00 44.72 42.90 2k54 s GLY 64 CO -0.08 1.55 0.54 1.85 0.00 0.00 0.00 173.10 176.95 2k54 s GLU 65 N 2.80 3.07 -0.25 2.90 2.12 -0.84 -4.82 118.70 123.69 2k54 s GLU 65 Ca 0.17 -1.03 -0.24 0.00 0.36 0.00 0.00 54.97 54.23 2k54 s GLU 65 Cb -0.18 -4.10 -0.01 0.00 0.26 0.00 0.00 34.13 30.10 2k54 s GLU 65 CO 0.13 -1.13 0.79 -1.17 -0.54 0.00 0.00 175.26 173.34 2k54 s LEU 66 N 2.27 4.08 -0.13 2.70 0.20 -1.26 -0.98 118.68 125.55 2k54 s LEU 66 Ca 0.11 0.96 0.10 0.00 0.69 0.00 0.00 54.13 55.99 2k54 s LEU 66 Cb -0.21 -3.12 -0.15 0.00 -0.43 0.00 0.00 46.19 42.28 2k54 s LEU 66 CO 0.10 -0.50 0.02 0.00 -0.29 0.00 0.00 176.35 175.68 2k54 n LEU 67 N 5.97 0.43 -3.77 -0.68 -0.00 -1.02 -4.99 117.00 112.93 2k54 n LEU 67 Ca 0.04 -0.01 -0.13 0.00 -0.00 0.00 0.00 56.01 55.91 2k54 n LEU 67 Cb 0.48 0.19 -0.14 0.00 -0.00 0.00 0.00 43.42 43.94 2k54 n LEU 67 CO 0.47 0.38 -0.25 -0.89 -0.00 0.00 0.00 177.39 177.10 2k54 s THR 68 N -2.31 -0.04 -0.02 1.47 2.01 -1.19 -5.09 115.64 110.47 2k54 s THR 68 Ca -0.09 0.14 0.01 0.00 0.31 0.00 0.00 61.69 62.07 2k54 s THR 68 Cb 0.04 -0.20 0.01 0.00 0.01 0.00 0.00 72.50 72.36 2k54 s THR 68 CO 0.50 0.06 -0.04 0.00 -0.69 0.00 0.00 174.62 174.45 2k54 s ARG 69 N 0.90 0.54 0.01 4.92 1.70 -1.26 -0.87 118.95 124.89 2k54 s ARG 69 Ca -0.07 -0.12 0.08 0.00 -0.47 0.00 0.00 55.73 55.14 2k54 s ARG 69 Cb -0.09 -0.57 -0.02 0.00 -0.57 0.00 0.00 34.95 33.70 2k54 s ARG 69 CO -0.04 0.01 -0.23 0.14 -1.08 0.00 0.00 175.30 174.10 2k54 s VAL 70 N 0.39 1.84 -0.03 4.99 -7.23 -0.72 -4.99 120.40 114.64 2k54 s VAL 70 Ca -0.04 -1.13 0.06 0.00 -1.81 0.00 0.00 61.98 59.05 2k54 s VAL 70 Cb -0.08 -1.55 -0.01 0.00 0.56 0.00 0.00 36.38 35.29 2k54 s VAL 70 CO -0.00 0.39 -0.19 -0.51 -0.31 0.00 0.00 175.10 174.47 2k54 s ILE 71 N -0.67 1.55 -0.29 -0.62 2.07 -1.26 -0.81 121.20 121.17 2k54 s ILE 71 Ca 0.09 -0.82 -0.04 0.00 -1.41 0.00 0.00 60.65 58.47 2k54 s ILE 71 Cb -0.09 -1.30 0.10 0.00 0.13 0.00 0.00 42.46 41.30 2k54 s ILE 71 CO 0.01 0.44 0.13 0.54 -1.91 0.00 0.00 174.94 174.15 2k54 s VAL 72 N -0.31 -0.03 0.00 4.00 0.11 -0.43 -5.03 120.40 118.71 2k54 s VAL 72 Ca 0.04 -0.83 0.00 0.00 -2.93 0.00 0.00 61.98 58.25 2k54 s VAL 72 Cb -0.09 -1.01 0.00 0.00 -1.53 0.00 0.00 36.38 33.75 2k54 s VAL 72 CO 0.00 -0.74 0.00 0.61 -3.33 0.00 0.00 175.10 171.64 2k54 n GLY 73 N 5.17 2.65 1.70 6.54 0.00 -1.26 -2.69 105.19 117.29 2k54 n GLY 73 Ca -0.05 -0.27 -0.05 0.00 0.00 0.00 0.00 46.02 45.66 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 6.85 4.12 -3.97 1.61 6.94 -1.26 -4.87 115.26 124.68 2k54 n ASN 74 Ca 0.00 -2.91 -0.22 0.00 -0.02 0.00 0.00 54.58 51.43 2k54 n ASN 74 Cb 0.00 -0.69 -0.16 0.00 -2.36 0.00 0.00 39.78 36.57 2k54 n ASN 74 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2k54 s VAL 75 N -2.37 0.85 0.02 3.53 1.01 -1.10 -0.71 120.40 121.63 2k54 s VAL 75 Ca 0.41 -0.32 0.08 0.00 0.00 0.00 0.00 61.98 62.15 2k54 s VAL 75 Cb 0.33 -0.80 -0.02 0.00 0.00 0.00 0.00 36.38 35.88 2k54 s VAL 75 CO 0.10 0.29 -0.25 -0.69 0.00 0.00 0.00 175.10 174.55 2k54 s VAL 76 N 0.69 2.01 -0.45 2.92 1.01 -0.51 -1.32 120.40 124.74 2k54 s VAL 76 Ca -0.12 -1.23 -0.16 0.00 0.00 0.00 0.00 61.98 60.47 2k54 s VAL 76 Cb -0.14 -1.70 0.04 0.00 0.00 0.00 0.00 36.38 34.58 2k54 s VAL 76 CO 0.02 0.43 0.42 -0.63 0.00 0.00 0.00 175.10 175.34 2k54 s ILE 77 N -0.71 5.15 -0.45 2.22 -1.09 0.01 -0.94 121.20 125.39 2k54 s ILE 77 Ca 0.10 -0.69 -0.21 0.00 -2.23 0.00 0.00 60.65 57.62 2k54 s ILE 77 Cb -0.10 -4.08 0.03 0.00 -1.58 0.00 0.00 42.46 36.73 2k54 s ILE 77 CO 0.01 -0.51 0.66 -1.81 -1.23 0.00 0.00 174.94 172.07 2k54 s ASP 78 N 2.18 6.32 -0.42 3.58 1.11 -0.46 -1.76 116.67 127.22 2k54 s ASP 78 Ca 0.08 -0.38 -0.14 0.00 0.18 0.00 0.00 52.55 52.28 2k54 s ASP 78 Cb -0.20 -2.33 0.04 0.00 1.07 0.00 0.00 42.92 41.50 2k54 s ASP 78 CO 0.10 -0.82 0.31 -2.28 1.18 0.00 0.00 175.17 173.66 2k54 s HIS 79 N 2.89 3.25 -0.06 4.23 2.46 -0.05 -0.35 115.29 127.65 2k54 s HIS 79 Ca 0.23 -0.76 0.02 0.00 0.47 0.00 0.00 55.06 55.02 2k54 s HIS 79 Cb -0.14 -2.75 0.02 0.00 -0.13 0.00 0.00 32.58 29.58 2k54 s HIS 79 CO 0.19 -0.66 -0.10 -1.83 -2.47 0.00 0.00 174.74 169.87 2k54 s GLU 80 N 1.65 1.42 -0.63 2.88 4.04 -0.56 -2.45 118.70 125.05 2k54 s GLU 80 Ca 0.04 -0.31 -0.25 0.00 0.04 0.00 0.00 54.97 54.49 2k54 s GLU 80 Cb -0.21 -1.24 0.04 0.00 0.02 0.00 0.00 34.13 32.75 2k54 s GLU 80 CO 0.08 -0.02 1.08 0.99 -1.84 0.00 0.00 175.26 175.55 2k54 s THR 81 N 0.80 4.13 0.03 1.83 2.01 -0.15 -1.64 115.64 122.65 2k54 s THR 81 Ca -0.13 0.28 -0.20 0.00 0.31 0.00 0.00 61.69 61.96 2k54 s THR 81 Cb -0.15 -4.71 -0.06 0.00 0.01 0.00 0.00 72.50 67.59 2k54 s THR 81 CO 0.02 -1.43 0.57 0.68 -0.69 0.00 0.00 174.62 173.77 2k54 s VAL 82 N 4.63 4.83 -0.09 3.82 -7.23 -0.59 -1.98 120.40 123.79 2k54 s VAL 82 Ca 0.32 1.21 -0.13 0.00 -1.81 0.00 0.00 61.98 61.57 2k54 s VAL 82 Cb -0.11 -3.90 -0.05 0.00 0.56 0.00 0.00 36.38 32.87 2k54 s VAL 82 CO 0.17 0.50 0.32 -0.89 -0.31 0.00 0.00 175.10 174.88 2k54 s THR 83 N -0.69 5.24 0.00 5.32 2.01 -0.35 -1.08 115.64 126.09 2k54 s THR 83 Ca 0.29 0.62 0.00 0.00 0.31 0.00 0.00 61.69 62.91 2k54 s THR 83 Cb -0.19 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 68.69 2k54 s THR 83 CO 0.18 0.50 0.00 0.54 -0.69 0.00 0.00 174.62 175.14 2k54 n ARG 84 N 2.66 1.19 -3.89 4.92 1.74 -0.35 -3.33 116.66 119.60 2k54 n ARG 84 Ca -0.14 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.64 2k54 n ARG 84 Cb 0.53 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 31.82 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 -0.22 4.41 -0.15 0.55 3.84 -1.25 -3.96 114.94 118.16 2k54 s ASN 85 Ca 0.00 -1.96 -0.09 0.00 0.21 0.00 0.00 52.86 51.02 2k54 s ASN 85 Cb 0.00 -1.28 -0.04 0.00 -0.55 0.00 0.00 41.25 39.37 2k54 s ASN 85 CO 0.00 -0.39 0.16 -0.36 -2.79 0.00 0.00 177.10 173.71 2k54 s PHE 86 N 1.18 3.53 -0.67 0.43 0.08 -0.85 -4.95 117.98 116.72 2k54 s PHE 86 Ca 0.11 0.48 0.16 0.00 0.12 0.00 0.00 56.93 57.80 2k54 s PHE 86 Cb -0.18 -2.06 0.73 0.00 -0.57 0.00 0.00 43.02 40.94 2k54 s PHE 86 CO -0.15 0.54 1.50 -0.35 -0.10 0.00 0.00 175.22 176.66 2k54 n PRO 87 N 2.63 0.09 0.02 0.24 -0.04 -1.26 -1.84 135.00 134.85 2k54 n PRO 87 Ca -0.18 0.43 0.13 0.00 -0.04 0.00 0.00 63.50 63.85 2k54 n PRO 87 Cb 0.54 -1.72 0.43 0.00 -0.04 0.00 0.00 33.50 32.71 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 -1.90 0.07 0.00 0.54 0.00 -1.26 -5.01 120.64 113.08 2k54 n GLU 88 Ca 0.01 0.04 0.00 0.00 0.00 0.00 0.00 57.16 57.21 2k54 n GLU 88 Cb 0.13 -1.56 0.00 0.00 0.00 0.00 0.00 31.44 30.01 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 1.46 -0.27 0.00 -1.84 0.00 -0.77 -4.59 105.19 99.18 2k54 n GLY 89 Ca 0.06 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 -4.41 118.16 117.10 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 -0.68 0.00 0.00 0.00 0.00 0.00 35.03 34.35 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 1.24 1.68 3.82 3.14 0.00 -1.25 -2.01 105.19 111.80 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 0.00 4.15 -0.03 1.61 1.03 -1.14 -1.21 118.70 123.10 2k54 s GLU 92 Ca 0.00 0.68 0.02 0.00 0.03 0.00 0.00 54.97 55.70 2k54 s GLU 92 Cb 0.00 -3.16 0.01 0.00 -0.80 0.00 0.00 34.13 30.18 2k54 s GLU 92 CO 0.00 0.60 -0.07 0.14 -1.33 0.00 0.00 175.26 174.61 2k54 s VAL 93 N -1.19 0.64 -0.49 1.83 -7.23 -0.24 -1.84 120.40 111.87 2k54 s VAL 93 Ca 0.31 -0.24 -0.28 0.00 -1.81 0.00 0.00 61.98 59.96 2k54 s VAL 93 Cb -0.18 -0.61 0.03 0.00 0.56 0.00 0.00 36.38 36.18 2k54 s VAL 93 CO 0.19 0.22 1.09 -1.81 -0.31 0.00 0.00 175.10 174.48 2k54 s ASP 94 N 0.49 6.56 0.21 4.85 1.11 -1.26 -1.54 116.67 127.09 2k54 s ASP 94 Ca -0.07 0.29 0.09 0.00 0.18 0.00 0.00 52.55 53.03 2k54 s ASP 94 Cb -0.11 -2.52 -0.04 0.00 1.07 0.00 0.00 42.92 41.32 2k54 s ASP 94 CO 0.00 -1.24 -0.02 -0.69 1.18 0.00 0.00 175.17 174.40 2k54 s VAL 95 N 4.35 3.50 -0.30 -1.27 1.01 -0.65 -0.68 120.40 126.36 2k54 s VAL 95 Ca 0.44 -1.66 0.00 0.00 0.00 0.00 0.00 61.98 60.76 2k54 s VAL 95 Cb -0.08 -2.80 0.09 0.00 0.00 0.00 0.00 36.38 33.59 2k54 s VAL 95 CO 0.29 -0.21 0.06 0.00 0.00 0.00 0.00 175.10 175.24 2k54 s ALA 96 N -1.95 1.86 -0.52 5.51 0.00 -0.45 -1.50 121.76 124.72 2k54 s ALA 96 Ca 0.28 -1.76 -0.20 0.00 0.00 0.00 0.00 51.96 50.28 2k54 s ALA 96 Cb -0.08 -1.65 0.05 0.00 0.00 0.00 0.00 23.12 21.45 2k54 s ALA 96 CO 0.18 -1.58 0.71 0.00 0.00 0.00 0.00 175.76 175.07 2k54 s ILE 98 N 2.98 4.89 0.04 0.00 2.07 0.35 -1.35 121.20 130.18 2k54 s ILE 98 Ca 0.19 0.25 -0.01 0.00 -1.41 0.00 0.00 60.65 59.68 2k54 s ILE 98 Cb -0.17 -4.12 -0.04 0.00 0.13 0.00 0.00 42.46 38.26 2k54 s ILE 98 CO 0.14 -0.44 0.20 -0.31 -1.91 0.00 0.00 174.94 172.62 2k54 s TYR 99 N 2.67 3.53 -0.25 3.50 2.02 -0.11 -1.19 117.35 127.52 2k54 s TYR 99 Ca 0.22 0.29 0.02 0.00 -0.37 0.00 0.00 57.07 57.22 2k54 s TYR 99 Cb -0.15 -1.78 0.05 0.00 -0.40 0.00 0.00 41.96 39.68 2k54 s TYR 99 CO 0.16 0.61 -0.10 -2.00 -1.57 0.00 0.00 175.55 172.65 2k54 s GLU 100 N -2.34 2.43 -0.39 -0.62 2.12 0.04 -1.43 118.70 118.51 2k54 s GLU 100 Ca 0.33 -1.23 -0.15 0.00 0.36 0.00 0.00 54.97 54.27 2k54 s GLU 100 Cb -0.13 -2.90 0.01 0.00 0.26 0.00 0.00 34.13 31.37 2k54 s GLU 100 CO 0.25 -0.51 0.35 0.08 -0.54 0.00 0.00 175.26 174.89 2k54 s VAL 101 N 1.17 5.19 -0.11 3.70 1.01 0.11 -1.30 120.40 130.17 2k54 s VAL 101 Ca -0.06 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 61.63 2k54 s VAL 101 Cb -0.19 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 2k54 s VAL 101 CO -0.05 -0.24 -0.19 -0.70 0.00 0.00 0.00 175.10 173.91 2k54 s GLU 102 N 1.91 3.13 -1.48 2.72 2.12 0.09 -4.66 118.70 122.53 2k54 s GLU 102 Ca 0.09 -0.79 -0.02 0.00 0.36 0.00 0.00 54.97 54.61 2k54 s GLU 102 Cb -0.18 -2.43 0.00 0.00 0.26 0.00 0.00 34.13 31.78 2k54 s GLU 102 CO 0.12 0.23 0.22 0.09 -0.54 0.00 0.00 175.26 175.37 2k54 n ASN 103 N 3.42 -5.40 0.00 -1.70 3.02 -1.26 -2.45 115.26 110.89 2k54 n ASN 103 Ca -0.18 -0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.25 2k54 n ASN 103 Cb 0.53 -4.37 0.00 0.00 -0.61 0.00 0.00 39.78 35.32 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 -1.18 1.62 3.11 7.41 0.00 -1.26 -5.02 105.19 109.87 2k54 n GLY 104 Ca -0.17 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.28 0.76 -0.58 1.61 1.81 -1.03 -4.85 118.95 116.39 2k54 s ARG 105 Ca 0.00 -0.76 -0.27 0.00 -1.72 0.00 0.00 55.73 52.98 2k54 s ARG 105 Cb 0.00 -0.70 -0.02 0.00 -0.45 0.00 0.00 34.95 33.77 2k54 s ARG 105 CO 0.00 0.16 1.90 0.42 -0.68 0.00 0.00 175.30 177.10 2k54 s ILE 106 N -1.03 3.34 -0.12 1.52 1.01 -0.59 -0.73 121.20 124.59 2k54 s ILE 106 Ca -0.02 0.21 0.14 0.00 0.00 0.00 0.00 60.65 60.98 2k54 s ILE 106 Cb -0.08 -3.85 -0.00 0.00 0.01 0.00 0.00 42.46 38.54 2k54 s ILE 106 CO 0.01 -0.81 1.32 0.00 0.00 0.00 0.00 174.94 175.47 2k54 h ALA 107 N 15.19 0.63 -2.71 9.38 0.00 -1.44 -1.16 119.26 139.16 2k54 h ALA 107 Ca -0.26 -0.57 -0.14 0.00 0.00 0.00 0.00 54.91 53.94 2k54 h ALA 107 Cb 1.17 -0.03 -0.20 0.00 0.00 0.00 0.00 17.79 18.73 2k54 h ALA 107 CO 1.20 0.75 -0.45 0.15 0.00 0.00 0.00 179.25 180.90 2k54 s LYS 108 N -2.93 0.52 -0.19 0.00 1.02 -1.01 -1.72 119.74 115.43 2k54 s LYS 108 Ca 0.03 -0.37 -0.14 0.00 0.02 0.00 0.00 55.97 55.51 2k54 s LYS 108 Cb 0.08 0.22 0.05 0.00 -0.52 0.00 0.00 37.83 37.66 2k54 s LYS 108 CO 0.76 -0.13 0.48 0.00 -0.92 0.00 0.00 175.35 175.54 2k54 s ALA 109 N -1.39 -1.21 -0.05 5.17 0.00 -0.38 -0.78 121.76 123.13 2k54 s ALA 109 Ca -0.15 1.54 0.01 0.00 0.00 0.00 0.00 51.96 53.37 2k54 s ALA 109 Cb -0.07 -0.91 0.02 0.00 0.00 0.00 0.00 23.12 22.16 2k54 s ALA 109 CO 0.02 -0.26 -0.07 -1.58 0.00 0.00 0.00 175.76 173.88 2k54 s TRP 110 N 0.84 0.90 -0.03 0.00 0.51 -0.33 -1.04 118.94 119.80 2k54 s TRP 110 Ca -0.05 -0.27 0.07 0.00 -2.12 0.00 0.00 56.10 53.73 2k54 s TRP 110 Cb -0.05 -0.74 -0.02 0.00 -0.81 0.00 0.00 33.47 31.85 2k54 s TRP 110 CO -0.07 -0.19 -0.25 -0.59 -0.51 0.00 0.00 176.95 175.34 2k54 s PHE 111 N 0.76 2.38 -0.13 -1.98 -0.71 -1.03 -0.49 117.98 116.77 2k54 s PHE 111 Ca -0.11 -0.49 -0.00 0.00 -1.04 0.00 0.00 56.93 55.29 2k54 s PHE 111 Cb -0.14 -1.53 0.02 0.00 -1.21 0.00 0.00 43.02 40.16 2k54 s PHE 111 CO 0.01 -0.07 -0.10 -1.59 -1.34 0.00 0.00 175.22 172.13 2k54 s LYS 112 N -0.52 1.86 -0.09 1.99 -2.85 -0.87 -1.53 119.74 117.74 2k54 s LYS 112 Ca 0.07 -0.39 -0.21 0.00 -1.00 0.00 0.00 55.97 54.44 2k54 s LYS 112 Cb -0.11 -1.82 -0.04 0.00 -2.06 0.00 0.00 37.83 33.80 2k54 s LYS 112 CO 0.00 -0.26 0.61 0.42 0.10 0.00 0.00 175.35 176.22 2k54 s ILE 113 N 1.61 5.10 0.00 3.79 1.01 -1.26 -1.34 121.20 130.12 2k54 s ILE 113 Ca 0.05 1.24 0.00 0.00 0.00 0.00 0.00 60.65 61.94 2k54 s ILE 113 Cb -0.13 -3.95 0.00 0.00 0.01 0.00 0.00 42.46 38.40 2k54 s ILE 113 CO -0.09 0.29 0.47 0.61 0.00 0.00 0.00 174.94 176.22 2k54 n GLY 114 N 3.16 -2.23 3.53 6.18 0.00 0.14 -4.99 105.19 110.97 2k54 n GLY 114 Ca -0.04 0.00 -0.10 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 -1.07 1.39 -0.24 1.61 -1.05 -1.26 -5.05 118.70 113.03 2k54 s GLU 115 Ca 0.00 -0.70 -0.29 0.00 -0.15 0.00 0.00 54.97 53.83 2k54 s GLU 115 Cb 0.00 0.57 -0.02 0.00 -0.44 0.00 0.00 34.13 34.24 2k54 s GLU 115 CO 0.00 -0.61 1.55 -1.25 0.95 0.00 0.00 175.26 175.90 2k54 s PRO 116 N -3.82 3.81 0.10 -4.83 0.04 -1.26 -4.14 135.00 124.89 2k54 s PRO 116 Ca 0.05 1.56 0.04 0.00 0.04 0.00 0.00 61.00 62.69 2k54 s PRO 116 Cb -0.02 -4.01 -0.04 0.00 0.04 0.00 0.00 34.50 30.48 2k54 s PRO 116 CO -0.06 -1.27 0.05 1.03 0.04 0.00 0.00 177.00 176.78 2k54 s ARG 117 N 4.59 2.73 -0.05 4.56 1.81 -0.77 -5.05 118.95 126.77 2k54 s ARG 117 Ca 0.68 -0.79 -0.01 0.00 -1.72 0.00 0.00 55.73 53.89 2k54 s ARG 117 Cb -0.23 -2.63 0.03 0.00 -0.45 0.00 0.00 34.95 31.67 2k54 s ARG 117 CO 0.28 0.54 0.03 0.42 -0.68 0.00 0.00 175.30 175.89 2k54 s ILE 118 N -1.41 0.10 0.16 1.52 -1.09 -1.26 -2.89 121.20 116.33 2k54 s ILE 118 Ca 0.28 0.27 -0.11 0.00 -2.23 0.00 0.00 60.65 58.86 2k54 s ILE 118 Cb -0.12 -0.30 0.03 0.00 -1.58 0.00 0.00 42.46 40.49 2k54 s ILE 118 CO 0.21 0.20 1.60 0.58 -1.23 0.00 0.00 174.94 176.29 2k54 h VAL 119 N 6.37 1.27 0.31 2.92 2.07 -1.95 -3.35 116.25 123.88 2k54 h VAL 119 Ca -0.19 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.13 2k54 h VAL 119 Cb 1.12 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 31.86 2k54 h VAL 119 CO 0.23 0.42 -0.18 0.28 0.02 0.00 0.00 177.57 178.34 2k54 h SER 120 N 0.83 -0.45 -2.39 0.57 0.02 -1.93 -3.35 113.55 106.85 2k54 h SER 120 Ca 0.14 0.02 -0.65 0.00 -0.84 0.00 0.00 61.79 60.47 2k54 h SER 120 Cb 0.60 0.13 -0.15 0.00 0.14 0.00 0.00 62.40 63.12 2k54 h SER 120 CO 0.04 -0.28 0.77 -1.58 -1.14 0.00 0.00 176.83 174.64 2k54 s GLN 121 N -4.07 3.36 -0.13 3.45 0.74 -1.26 -4.96 119.66 116.80 2k54 s GLN 121 Ca -0.07 -1.23 -0.05 0.00 0.05 0.00 0.00 55.36 54.06 2k54 s GLN 121 Cb 0.01 -4.63 0.06 0.00 1.10 0.00 0.00 33.01 29.56 2k54 s GLN 121 CO 0.22 -1.85 0.27 0.21 -0.55 0.00 0.00 175.29 173.59 2k54 s LYS 122 N 3.63 0.16 0.00 1.67 2.20 -1.26 -4.54 119.74 121.59 2k54 s LYS 122 Ca 0.29 0.75 0.00 0.00 -0.36 0.00 0.00 55.97 56.65 2k54 s LYS 122 Cb -0.10 -0.02 0.00 0.00 -1.51 0.00 0.00 37.83 36.20 2k54 s LYS 122 CO 0.00 -0.27 0.00 0.45 -0.36 0.00 0.00 175.35 175.17