#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k54 n ASN 2 N 0.00 0.00 -0.18 3.17 6.94 -1.26 -4.79 115.26 119.14 2k54 n ASN 2 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 54.58 54.48 2k54 n ASN 2 Cb 0.00 0.00 0.02 0.00 -2.36 0.00 0.00 39.78 37.44 2k54 n ASN 2 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 2k54 h SER 3 N 0.00 0.68 0.32 0.53 4.64 -1.98 -1.59 113.55 116.15 2k54 h SER 3 Ca 0.00 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 2k54 h SER 3 Cb 0.00 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 61.92 2k54 h SER 3 CO 0.00 0.61 0.00 -1.84 -0.87 0.00 0.00 176.83 174.73 2k54 n GLU 4 N -4.60 0.16 -0.01 4.77 0.00 -1.26 -0.23 120.64 119.48 2k54 n GLU 4 Ca 0.02 0.54 -0.14 0.00 0.00 0.00 0.00 57.16 57.59 2k54 n GLU 4 Cb 0.11 -1.92 -0.14 0.00 0.00 0.00 0.00 31.44 29.50 2k54 n GLU 4 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 2k54 h ILE 5 N 0.00 0.78 0.00 3.84 1.08 -1.69 -3.36 117.51 118.16 2k54 h ILE 5 Ca 0.00 -2.57 0.00 0.00 -0.39 0.00 0.00 64.86 61.90 2k54 h ILE 5 Cb 0.16 2.47 0.00 0.00 -3.07 0.00 0.00 36.82 36.38 2k54 h ILE 5 CO 0.00 0.67 -0.25 -0.62 -0.69 0.00 0.00 178.15 177.26 2k54 n GLU 6 N -3.24 0.00 0.17 2.37 1.02 -0.52 -3.80 120.64 116.64 2k54 n GLU 6 Ca -0.23 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 56.78 2k54 n GLU 6 Cb 1.05 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.89 2k54 n GLU 6 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2k54 h LEU 7 N 0.00 -0.36 -0.45 -4.62 3.38 -0.75 -0.81 115.31 111.69 2k54 h LEU 7 Ca 0.00 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 57.87 2k54 h LEU 7 Cb 0.50 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.30 2k54 h LEU 7 CO 0.00 -0.03 0.18 1.55 0.09 0.00 0.00 178.44 180.23 2k54 h PRO 8 N -0.73 0.36 -0.30 1.13 0.13 -1.77 -2.60 132.00 128.22 2k54 h PRO 8 Ca -0.04 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.04 2k54 h PRO 8 Cb 0.49 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.53 2k54 h PRO 8 CO 0.07 0.24 0.08 0.28 -0.23 0.00 0.00 178.00 178.43 2k54 h VAL 9 N 0.37 1.21 -0.18 1.56 2.07 -1.65 -1.34 116.25 118.29 2k54 h VAL 9 Ca 0.21 -0.71 -0.18 0.00 0.82 0.00 0.00 66.70 66.84 2k54 h VAL 9 Cb 0.18 1.11 0.01 0.00 -1.52 0.00 0.00 31.29 31.07 2k54 h VAL 9 CO -0.20 0.23 -0.60 -0.61 0.02 0.00 0.00 177.57 176.42 2k54 h GLN 10 N 0.32 0.73 0.00 1.57 -0.00 -1.16 -2.96 115.11 113.61 2k54 h GLN 10 Ca 0.09 -0.54 -0.04 0.00 -0.00 0.00 0.00 58.65 58.16 2k54 h GLN 10 Cb 0.28 0.09 -0.01 0.00 0.00 0.00 0.00 27.48 27.85 2k54 h GLN 10 CO 0.00 1.16 -0.21 0.87 0.00 0.00 0.00 178.83 180.65 2k54 h LYS 11 N 0.44 0.00 -0.33 1.69 1.79 -1.44 -1.96 116.57 116.75 2k54 h LYS 11 Ca -0.02 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2k54 h LYS 11 Cb 1.22 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.86 2k54 h LYS 11 CO 0.13 0.21 0.20 1.96 -1.08 0.00 0.00 179.45 180.87 2k54 h GLN 12 N 0.00 0.45 0.08 3.15 4.20 -1.08 -2.12 115.11 119.78 2k54 h GLN 12 Ca -0.00 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.68 2k54 h GLN 12 Cb 0.49 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 2k54 h GLN 12 CO 0.03 0.34 -0.12 1.25 -0.67 0.00 0.00 178.83 179.66 2k54 h LEU 13 N 0.43 -0.33 -1.56 1.46 7.12 -1.26 0.40 115.31 121.56 2k54 h LEU 13 Ca 0.12 0.04 0.13 0.00 0.13 0.00 0.00 57.88 58.29 2k54 h LEU 13 Cb 0.01 0.12 -0.05 0.00 -0.53 0.00 0.00 40.66 40.22 2k54 h LEU 13 CO -0.02 -0.18 0.47 -0.33 -0.13 0.00 0.00 178.44 178.25 2k54 h GLU 14 N -0.24 0.44 0.00 1.25 4.39 -1.41 -0.16 114.58 118.85 2k54 h GLU 14 Ca 0.02 -0.03 -0.18 0.00 0.34 0.00 0.00 59.36 59.52 2k54 h GLU 14 Cb 0.25 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.78 2k54 h GLU 14 CO -0.06 0.29 -0.95 0.00 -1.16 0.00 0.00 179.01 177.13 2k54 h ALA 15 N 1.65 0.55 -0.18 3.43 0.00 -0.85 -3.22 119.26 120.64 2k54 h ALA 15 Ca 0.34 -0.80 -0.11 0.00 0.00 0.00 0.00 54.91 54.34 2k54 h ALA 15 Cb 0.70 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2k54 h ALA 15 CO -0.11 1.02 -0.31 -0.92 0.00 0.00 0.00 179.25 178.93 2k54 h TYR 16 N 0.00 0.67 0.00 0.00 3.20 0.17 0.17 116.97 121.17 2k54 h TYR 16 Ca -0.06 -0.23 -0.17 0.00 3.14 0.00 0.00 58.73 61.41 2k54 h TYR 16 Cb 1.63 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.75 2k54 h TYR 16 CO 0.00 0.95 -0.83 -2.95 -1.64 0.00 0.00 178.16 173.69 2k54 h ASN 17 N 0.19 0.00 -0.30 -2.11 7.08 -1.69 -3.27 115.58 115.48 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 0.89 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.13 2k54 h ASN 17 CO 0.07 0.83 0.00 0.00 -2.08 0.00 0.00 177.43 176.25 2k54 n ALA 18 N -2.32 2.46 -1.15 4.14 0.00 -1.17 -4.92 120.51 117.55 2k54 n ALA 18 Ca 0.00 -0.78 -0.05 0.00 0.00 0.00 0.00 53.44 52.61 2k54 n ALA 18 Cb 0.86 -0.97 -0.02 0.00 0.00 0.00 0.00 19.45 19.32 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 0.98 -1.39 -2.40 0.00 5.12 0.39 -4.94 116.66 114.42 2k54 n ARG 19 Ca 0.18 0.60 -0.38 0.00 -1.93 0.00 0.00 57.85 56.31 2k54 n ARG 19 Cb 0.48 -4.76 -0.03 0.00 -1.16 0.00 0.00 32.46 26.99 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 -2.27 5.99 0.52 0.55 1.01 -0.06 -4.80 116.67 117.60 2k54 s ASP 20 Ca 0.00 -0.70 0.26 0.00 0.71 0.00 0.00 52.55 52.82 2k54 s ASP 20 Cb 0.00 -2.56 1.42 0.00 1.01 0.00 0.00 42.92 42.79 2k54 s ASP 20 CO 0.00 -1.95 2.08 0.40 0.21 0.00 0.00 175.17 175.91 2k54 h ILE 21 N 6.61 0.63 -0.45 0.77 1.08 -1.92 -2.26 117.51 121.98 2k54 h ILE 21 Ca -0.06 -0.51 0.09 0.00 -0.39 0.00 0.00 64.86 64.00 2k54 h ILE 21 Cb 1.05 1.32 -0.09 0.00 -3.07 0.00 0.00 36.82 36.03 2k54 h ILE 21 CO 1.31 0.12 -0.14 0.44 -0.69 0.00 0.00 178.15 179.19 2k54 h ASP 22 N 0.00 -0.51 0.37 1.72 5.19 -1.97 0.10 116.42 121.32 2k54 h ASP 22 Ca -0.00 0.15 -0.32 0.00 -0.62 0.00 0.00 57.03 56.23 2k54 h ASP 22 Cb 0.31 0.31 0.01 0.00 0.18 0.00 0.00 39.33 40.14 2k54 h ASP 22 CO 0.02 -0.18 -1.52 0.00 -3.12 0.00 0.00 179.24 174.43 2k54 h ALA 23 N 1.37 0.10 0.00 3.45 0.00 -1.91 -1.92 119.26 120.35 2k54 h ALA 23 Ca 0.22 -1.01 0.00 0.00 0.00 0.00 0.00 54.91 54.11 2k54 h ALA 23 Cb 0.37 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2k54 h ALA 23 CO -0.48 0.96 0.00 0.34 0.00 0.00 0.00 179.25 180.07 2k54 n PHE 24 N -3.57 0.00 0.00 0.00 -0.00 -0.85 -2.48 117.46 110.55 2k54 n PHE 24 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.28 2k54 n PHE 24 Cb 1.07 -0.33 0.00 0.00 -0.00 0.00 0.00 39.48 40.21 2k54 n PHE 24 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.76 176.64 2k54 n MET 25 N -1.33 3.64 -0.07 -4.13 1.56 -0.01 -4.83 117.12 111.95 2k54 n MET 25 Ca 0.04 0.00 0.04 0.00 -0.27 0.00 0.00 57.70 57.52 2k54 n MET 25 Cb 0.09 -0.99 0.39 0.00 2.15 0.00 0.00 33.22 34.86 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 1.68 -0.14 -5.12 0.00 -1.02 -2.06 119.26 112.61 2k54 h ALA 26 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2k54 h ALA 26 Cb 0.97 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2k54 h ALA 26 CO 0.00 0.27 0.00 0.91 0.00 0.00 0.00 179.25 180.43 2k54 n TRP 27 N -4.46 0.17 -4.03 0.00 7.02 -1.17 -4.88 117.44 110.09 2k54 n TRP 27 Ca 0.05 -0.09 -0.24 0.00 -1.02 0.00 0.00 57.50 56.21 2k54 n TRP 27 Cb 0.10 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 28.95 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 -1.83 3.29 0.37 -5.99 0.52 -0.78 -1.39 118.94 113.15 2k54 s TRP 28 Ca 0.32 -0.01 -0.20 0.00 0.02 0.00 0.00 56.10 56.23 2k54 s TRP 28 Cb 0.17 -1.54 -0.10 0.00 -1.15 0.00 0.00 33.47 30.85 2k54 s TRP 28 CO 0.26 0.50 0.88 0.00 0.02 0.00 0.00 176.95 178.61 2k54 s ALA 29 N -1.89 3.16 0.34 0.98 0.00 -0.29 -4.61 121.76 119.44 2k54 s ALA 29 Ca 0.33 0.31 0.28 0.00 0.00 0.00 0.00 51.96 52.88 2k54 s ALA 29 Cb -0.10 -3.04 1.37 0.00 0.00 0.00 0.00 23.12 21.35 2k54 s ALA 29 CO 0.26 0.20 2.02 0.22 0.00 0.00 0.00 175.76 178.47 2k54 h ASP 30 N 2.27 0.00 0.14 0.00 3.58 -1.95 -2.13 116.42 118.34 2k54 h ASP 30 Ca -0.48 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.97 2k54 h ASP 30 Cb 1.18 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.23 2k54 h ASP 30 CO 0.63 0.13 -0.07 -0.67 -2.88 0.00 0.00 179.24 176.38 2k54 n ASP 31 N -3.53 0.83 -4.74 2.28 2.03 -1.26 -1.42 116.55 110.74 2k54 n ASP 31 Ca -0.01 -1.02 -0.42 0.00 0.52 0.00 0.00 54.79 53.86 2k54 n ASP 31 Cb 0.28 -0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.65 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 0.22 3.73 -0.20 0.00 -1.52 -0.97 -0.53 119.66 120.40 2k54 s GLN 33 Ca 0.69 0.32 -0.04 0.00 -1.95 0.00 0.00 55.36 54.38 2k54 s GLN 33 Cb -0.50 -2.47 0.09 0.00 -0.22 0.00 0.00 33.01 29.92 2k54 s GLN 33 CO 0.41 0.04 0.22 -0.47 -0.25 0.00 0.00 175.29 175.25 2k54 s TYR 34 N -2.28 -0.28 0.18 0.91 5.04 0.45 -0.67 117.35 120.71 2k54 s TYR 34 Ca 0.49 0.22 0.08 0.00 -2.44 0.00 0.00 57.07 55.42 2k54 s TYR 34 Cb -0.10 -0.36 -0.04 0.00 0.35 0.00 0.00 41.96 41.80 2k54 s TYR 34 CO 0.31 -0.60 -0.00 0.71 -1.34 0.00 0.00 175.55 174.62 2k54 s TYR 35 N 2.33 2.83 0.26 4.97 1.51 -0.41 -1.10 117.35 127.73 2k54 s TYR 35 Ca 0.07 -0.15 0.10 0.00 -1.01 0.00 0.00 57.07 56.08 2k54 s TYR 35 Cb -0.16 -1.36 -0.04 0.00 -0.11 0.00 0.00 41.96 40.29 2k54 s TYR 35 CO -0.12 0.53 -0.05 0.00 -1.11 0.00 0.00 175.55 174.80 2k54 s ALA 36 N -1.79 3.07 0.05 3.71 0.00 -0.53 -2.35 121.76 123.93 2k54 s ALA 36 Ca 0.28 -1.68 -0.36 0.00 0.00 0.00 0.00 51.96 50.21 2k54 s ALA 36 Cb -0.09 -0.68 -0.15 0.00 0.00 0.00 0.00 23.12 22.20 2k54 s ALA 36 CO 0.19 0.29 1.56 0.34 0.00 0.00 0.00 175.76 178.14 2k54 n PHE 37 N -0.77 2.00 -0.02 0.00 7.35 -0.63 -1.27 117.46 124.12 2k54 n PHE 37 Ca -0.07 0.38 -0.16 0.00 -0.76 0.00 0.00 57.45 56.85 2k54 n PHE 37 Cb 0.59 -2.48 -0.12 0.00 0.35 0.00 0.00 39.48 37.82 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 6.13 0.16 -0.77 -7.13 0.13 -1.99 -3.44 132.00 125.09 2k54 h PRO 38 Ca -0.47 -0.20 -0.12 0.00 -0.87 0.00 0.00 66.00 64.35 2k54 h PRO 38 Cb 1.29 0.06 -0.16 0.00 0.13 0.00 0.00 31.00 32.32 2k54 h PRO 38 CO 0.87 0.97 -0.41 0.00 -0.23 0.00 0.00 178.00 179.19 2k54 n ALA 39 N -2.56 -2.27 -3.98 -0.56 0.00 -0.48 -4.99 120.51 105.67 2k54 n ALA 39 Ca -0.10 -0.82 -0.31 0.00 0.00 0.00 0.00 53.44 52.21 2k54 n ALA 39 Cb 0.54 -1.87 -0.15 0.00 0.00 0.00 0.00 19.45 17.97 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 0.87 1.82 -0.52 0.00 2.01 -0.40 -4.90 115.64 114.53 2k54 s THR 40 Ca 0.29 -1.60 -0.27 0.00 0.31 0.00 0.00 61.69 60.42 2k54 s THR 40 Cb 0.04 -2.12 -0.03 0.00 0.01 0.00 0.00 72.50 70.40 2k54 s THR 40 CO -0.07 -0.24 1.98 -0.22 -0.69 0.00 0.00 174.62 175.38 2k54 s LEU 41 N 1.22 3.36 0.03 4.42 2.96 -1.26 -1.45 118.68 127.97 2k54 s LEU 41 Ca -0.02 0.75 -0.07 0.00 -0.22 0.00 0.00 54.13 54.57 2k54 s LEU 41 Cb -0.19 -2.76 -0.30 0.00 0.50 0.00 0.00 46.19 43.44 2k54 s LEU 41 CO -0.08 -2.34 0.98 -0.07 -1.32 0.00 0.00 176.35 173.52 2k54 h LEU 42 N 16.53 0.52 -7.06 -0.68 3.38 -1.47 -3.46 115.31 123.07 2k54 h LEU 42 Ca -0.28 -0.62 -0.27 0.00 0.09 0.00 0.00 57.88 56.81 2k54 h LEU 42 Cb 1.19 -0.17 -0.34 0.00 0.09 0.00 0.00 40.66 41.43 2k54 h LEU 42 CO 1.16 1.50 -0.59 0.00 0.09 0.00 0.00 178.44 180.60 2k54 s ALA 43 N -2.62 -0.38 -0.64 1.53 0.00 -1.10 -5.00 121.76 113.54 2k54 s ALA 43 Ca -0.08 0.62 -0.01 0.00 0.00 0.00 0.00 51.96 52.50 2k54 s ALA 43 Cb 0.06 -1.08 0.44 0.00 0.00 0.00 0.00 23.12 22.54 2k54 s ALA 43 CO 0.89 -0.82 1.93 0.41 0.00 0.00 0.00 175.76 178.17 2k54 n GLY 44 N 5.33 5.91 0.00 0.00 0.00 -1.26 -0.41 105.19 114.76 2k54 n GLY 44 Ca -0.05 -2.37 0.00 0.00 0.00 0.00 0.00 46.02 43.59 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 -0.86 0.00 0.27 1.61 0.23 0.30 -4.77 115.26 112.05 2k54 n ASN 45 Ca 0.60 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.76 2k54 n ASN 45 Cb 0.65 0.00 0.74 0.00 -2.08 0.00 0.00 39.78 39.10 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 1.57 -0.64 -2.53 0.00 -1.29 -2.76 119.26 113.60 2k54 h ALA 46 Ca 0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 2k54 h ALA 46 Cb 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2k54 h ALA 46 CO 0.00 0.08 0.19 0.00 0.00 0.00 0.00 179.25 179.52 2k54 h ALA 47 N 1.93 1.12 0.01 0.00 0.00 -1.92 -1.25 119.26 119.16 2k54 h ALA 47 Ca -0.00 -0.21 -0.20 0.00 0.00 0.00 0.00 54.91 54.50 2k54 h ALA 47 Cb 0.15 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2k54 h ALA 47 CO 0.01 0.60 -0.93 0.93 0.00 0.00 0.00 179.25 179.86 2k54 h GLU 48 N 0.95 0.08 -0.40 0.00 5.08 -1.89 -3.28 114.58 115.11 2k54 h GLU 48 Ca 0.21 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.34 2k54 h GLU 48 Cb 0.29 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2k54 h GLU 48 CO -0.01 0.95 -0.23 0.82 -1.00 0.00 0.00 179.01 179.55 2k54 h ILE 49 N 0.03 1.28 -0.34 3.13 2.04 -1.34 -2.33 117.51 119.98 2k54 h ILE 49 Ca -0.03 -1.37 -0.02 0.00 1.00 0.00 0.00 64.86 64.44 2k54 h ILE 49 Cb 1.62 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 38.98 2k54 h ILE 49 CO 0.13 0.46 0.15 0.08 0.00 0.00 0.00 178.15 178.97 2k54 h ARG 50 N 0.67 0.50 0.14 2.37 0.11 -1.36 -2.33 114.38 114.48 2k54 h ARG 50 Ca 0.09 -0.08 0.02 0.00 0.10 0.00 0.00 59.98 60.10 2k54 h ARG 50 Cb 0.79 -0.09 -0.04 0.00 1.11 0.00 0.00 29.97 31.75 2k54 h ARG 50 CO 0.06 0.48 -0.30 0.28 0.10 0.00 0.00 179.97 180.59 2k54 h VAL 51 N 0.41 0.35 -0.76 0.08 2.07 -1.60 -0.59 116.25 116.21 2k54 h VAL 51 Ca 0.12 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.77 2k54 h VAL 51 Cb 0.15 0.35 -0.09 0.00 -1.52 0.00 0.00 31.29 30.18 2k54 h VAL 51 CO -0.01 0.00 0.32 -0.09 0.02 0.00 0.00 177.57 177.81 2k54 h ARG 52 N -0.54 0.47 0.07 1.57 9.65 -1.37 -2.22 114.38 122.02 2k54 h ARG 52 Ca 0.03 -0.03 -0.25 0.00 -1.10 0.00 0.00 59.98 58.63 2k54 h ARG 52 Cb 0.56 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.03 2k54 h ARG 52 CO -0.17 0.31 -1.10 0.45 2.80 0.00 0.00 179.97 182.27 2k54 h HIS 53 N 0.49 0.47 -0.45 2.20 3.86 -1.13 -2.79 115.15 117.80 2k54 h HIS 53 Ca 0.41 -0.31 -0.00 0.00 -1.16 0.00 0.00 60.37 59.31 2k54 h HIS 53 Cb 0.59 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 29.00 2k54 h HIS 53 CO -0.15 1.19 0.28 0.82 0.86 0.00 0.00 177.93 180.93 2k54 h ILE 54 N 0.12 1.14 -0.22 2.45 2.04 -0.58 0.13 117.51 122.59 2k54 h ILE 54 Ca -0.10 -0.31 -0.04 0.00 1.00 0.00 0.00 64.86 65.40 2k54 h ILE 54 Cb 1.79 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.39 2k54 h ILE 54 CO 0.18 0.14 -0.06 -0.33 0.00 0.00 0.00 178.15 178.08 2k54 h GLU 55 N 0.60 0.34 0.00 2.37 5.08 -1.47 -2.51 114.58 118.99 2k54 h GLU 55 Ca 0.16 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2k54 h GLU 55 Cb -0.01 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.19 2k54 h GLU 55 CO -0.03 0.42 -0.66 -0.09 -1.00 0.00 0.00 179.01 177.65 2k54 h ARG 56 N 0.32 0.00 -0.00 2.33 9.65 -1.16 -3.21 114.38 122.31 2k54 h ARG 56 Ca 0.07 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 2k54 h ARG 56 Cb 0.32 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.90 2k54 h ARG 56 CO 0.01 0.00 -0.14 1.19 2.80 0.00 0.00 179.97 183.84 2k54 n PHE 57 N -2.25 0.00 0.28 2.20 3.01 0.41 -3.34 117.46 117.78 2k54 n PHE 57 Ca 0.03 0.00 0.17 0.00 1.01 0.00 0.00 57.45 58.66 2k54 n PHE 57 Cb 0.46 -0.16 0.71 0.00 -0.01 0.00 0.00 39.48 40.48 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 0.77 0.00 -6.28 -1.08 1.79 -1.50 -3.44 116.57 106.82 2k54 h LYS 58 Ca 0.00 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.93 2k54 h LYS 58 Cb 0.39 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.04 2k54 h LYS 58 CO 0.00 0.01 1.10 -1.21 -1.08 0.00 0.00 179.45 178.27 2k54 s GLU 59 N -3.70 4.18 0.43 3.15 0.41 -1.21 -4.91 118.70 117.05 2k54 s GLU 59 Ca 0.01 2.25 0.28 0.00 -0.41 0.00 0.00 54.97 57.09 2k54 s GLU 59 Cb 0.09 -3.99 0.86 0.00 -1.78 0.00 0.00 34.13 29.31 2k54 s GLU 59 CO 0.54 -0.85 1.79 -1.00 -0.49 0.00 0.00 175.26 175.24 2k54 h PRO 60 N 9.63 0.00 0.00 0.39 0.13 -1.93 -3.16 132.00 137.05 2k54 h PRO 60 Ca -0.41 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.66 2k54 h PRO 60 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2k54 h PRO 60 CO 0.95 0.00 -0.44 0.22 -0.23 0.00 0.00 178.00 178.50 2k54 h ASP 61 N 0.00 0.00 -2.35 1.44 3.58 -1.91 -3.47 116.42 113.71 2k54 h ASP 61 Ca 0.00 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.88 2k54 h ASP 61 Cb 0.71 0.00 0.06 0.00 1.72 0.00 0.00 39.33 41.82 2k54 h ASP 61 CO 0.00 0.29 0.84 -0.11 -2.88 0.00 0.00 179.24 177.38 2k54 n LEU 62 N -3.11 3.28 -3.73 2.28 7.94 -1.20 -4.54 117.00 117.92 2k54 n LEU 62 Ca 0.02 1.08 -0.14 0.00 -1.11 0.00 0.00 56.01 55.86 2k54 n LEU 62 Cb 0.66 -1.46 -0.09 0.00 0.53 0.00 0.00 43.42 43.06 2k54 n LEU 62 CO 0.38 -0.19 0.08 -0.47 -1.11 0.00 0.00 177.39 176.09 2k54 s TYR 63 N 0.97 -0.36 -0.24 1.96 5.04 -1.23 -4.94 117.35 118.55 2k54 s TYR 63 Ca 0.78 0.79 -0.05 0.00 -2.44 0.00 0.00 57.07 56.15 2k54 s TYR 63 Cb -0.64 0.15 -0.01 0.00 0.35 0.00 0.00 41.96 41.81 2k54 s TYR 63 CO 0.37 -0.31 -0.00 0.20 -1.34 0.00 0.00 175.55 174.47 2k54 s GLY 64 N -0.45 1.67 -0.33 8.97 0.00 -1.26 -1.42 107.32 114.50 2k54 s GLY 64 Ca -0.06 -1.23 0.02 0.00 0.00 0.00 0.00 44.72 43.45 2k54 s GLY 64 CO 0.03 0.49 0.08 1.85 0.00 0.00 0.00 173.10 175.55 2k54 s GLU 65 N 1.49 1.08 0.24 2.90 2.12 -1.09 -4.78 118.70 120.67 2k54 s GLU 65 Ca 0.05 -1.47 -0.29 0.00 0.36 0.00 0.00 54.97 53.62 2k54 s GLU 65 Cb -0.15 -2.56 -0.09 0.00 0.26 0.00 0.00 34.13 31.59 2k54 s GLU 65 CO -0.01 -0.97 0.92 -1.17 -0.54 0.00 0.00 175.26 173.49 2k54 s LEU 66 N 1.25 4.62 -0.13 2.70 0.20 -1.26 -0.70 118.68 125.37 2k54 s LEU 66 Ca 0.11 1.91 -0.08 0.00 0.69 0.00 0.00 54.13 56.76 2k54 s LEU 66 Cb -0.18 -3.61 -0.06 0.00 -0.43 0.00 0.00 46.19 41.91 2k54 s LEU 66 CO -0.17 0.15 -0.19 0.18 -0.29 0.00 0.00 176.35 176.03 2k54 n LEU 67 N 1.44 1.13 -3.77 -0.68 4.77 -0.80 -4.94 117.00 114.14 2k54 n LEU 67 Ca -0.02 0.19 -0.13 0.00 -0.03 0.00 0.00 56.01 56.02 2k54 n LEU 67 Cb 0.47 -0.45 -0.11 0.00 -2.33 0.00 0.00 43.42 41.00 2k54 n LEU 67 CO 0.49 0.16 -0.05 -0.89 -1.33 0.00 0.00 177.39 175.77 2k54 s THR 68 N -2.31 -0.00 -0.10 -5.08 2.01 -1.14 -5.06 115.64 103.96 2k54 s THR 68 Ca -0.20 0.01 -0.01 0.00 0.31 0.00 0.00 61.69 61.80 2k54 s THR 68 Cb 0.07 -0.41 0.03 0.00 0.01 0.00 0.00 72.50 72.20 2k54 s THR 68 CO 0.25 0.00 -0.05 0.00 -0.69 0.00 0.00 174.62 174.14 2k54 s ARG 69 N 0.21 1.20 -0.14 4.92 1.70 -1.26 -0.84 118.95 124.74 2k54 s ARG 69 Ca -0.00 -0.15 0.00 0.00 -0.47 0.00 0.00 55.73 55.11 2k54 s ARG 69 Cb -0.02 -1.41 -0.01 0.00 -0.57 0.00 0.00 34.95 32.94 2k54 s ARG 69 CO -0.00 -0.29 -0.15 0.14 -1.08 0.00 0.00 175.30 173.92 2k54 s VAL 70 N 1.80 2.75 -0.10 4.99 -7.23 -0.23 -4.98 120.40 117.39 2k54 s VAL 70 Ca 0.05 -0.75 0.02 0.00 -1.81 0.00 0.00 61.98 59.48 2k54 s VAL 70 Cb -0.13 -2.15 -0.02 0.00 0.56 0.00 0.00 36.38 34.64 2k54 s VAL 70 CO -0.07 0.52 -0.15 -0.51 -0.31 0.00 0.00 175.10 174.58 2k54 s ILE 71 N 0.64 2.91 -0.33 -0.62 2.07 -1.26 -0.82 121.20 123.78 2k54 s ILE 71 Ca -0.08 -0.73 0.01 0.00 -1.41 0.00 0.00 60.65 58.44 2k54 s ILE 71 Cb -0.16 -2.18 0.09 0.00 0.13 0.00 0.00 42.46 40.34 2k54 s ILE 71 CO 0.03 0.55 0.05 -0.69 -1.91 0.00 0.00 174.94 172.96 2k54 s VAL 72 N 0.03 2.58 0.00 4.00 1.01 -0.33 -5.02 120.40 122.66 2k54 s VAL 72 Ca -0.05 -2.01 0.00 0.00 0.00 0.00 0.00 61.98 59.91 2k54 s VAL 72 Cb -0.15 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.50 2k54 s VAL 72 CO 0.04 -0.44 0.00 0.61 0.00 0.00 0.00 175.10 175.31 2k54 n GLY 73 N 4.41 0.62 0.89 4.51 0.00 -1.26 -1.64 105.19 112.71 2k54 n GLY 73 Ca -0.03 0.56 0.07 0.00 0.00 0.00 0.00 46.02 46.62 2k54 n GLY 73 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k54 n ASN 74 N 9.08 3.64 -3.92 1.61 6.94 -1.26 -4.56 115.26 126.79 2k54 n ASN 74 Ca 0.00 -3.12 -0.17 0.00 -0.02 0.00 0.00 54.58 51.27 2k54 n ASN 74 Cb 0.00 -0.55 -0.15 0.00 -2.36 0.00 0.00 39.78 36.71 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 -2.89 0.43 -0.05 3.53 0.11 -0.65 -0.87 120.40 120.01 2k54 s VAL 75 Ca 0.42 -0.15 0.05 0.00 -2.93 0.00 0.00 61.98 59.37 2k54 s VAL 75 Cb 0.35 -0.42 -0.02 0.00 -1.53 0.00 0.00 36.38 34.76 2k54 s VAL 75 CO 0.07 0.16 -0.21 -0.69 -3.33 0.00 0.00 175.10 171.10 2k54 s VAL 76 N 0.39 2.44 -0.51 2.04 1.01 -0.80 -1.19 120.40 123.77 2k54 s VAL 76 Ca -0.04 -0.94 -0.16 0.00 0.00 0.00 0.00 61.98 60.83 2k54 s VAL 76 Cb -0.08 -1.91 0.10 0.00 0.00 0.00 0.00 36.38 34.48 2k54 s VAL 76 CO -0.00 0.57 0.49 -0.63 0.00 0.00 0.00 175.10 175.53 2k54 s ILE 77 N -0.40 5.15 -0.44 2.22 -1.09 -0.00 -1.91 121.20 124.73 2k54 s ILE 77 Ca 0.04 -1.17 -0.13 0.00 -2.23 0.00 0.00 60.65 57.15 2k54 s ILE 77 Cb -0.12 -4.26 0.07 0.00 -1.58 0.00 0.00 42.46 36.57 2k54 s ILE 77 CO 0.02 -0.77 0.33 1.51 -1.23 0.00 0.00 174.94 174.80 2k54 s ASP 78 N 3.10 5.95 -0.46 3.58 -4.77 -0.01 -1.07 116.67 122.99 2k54 s ASP 78 Ca 0.05 -1.34 -0.16 0.00 -3.30 0.00 0.00 52.55 47.80 2k54 s ASP 78 Cb -0.26 -2.11 0.05 0.00 -1.09 0.00 0.00 42.92 39.51 2k54 s ASP 78 CO 0.06 -0.58 0.43 -2.28 0.70 0.00 0.00 175.17 173.49 2k54 s HIS 79 N 1.57 3.20 0.46 2.11 2.46 -0.02 -1.82 115.29 123.25 2k54 s HIS 79 Ca 0.04 -0.70 0.08 0.00 0.47 0.00 0.00 55.06 54.95 2k54 s HIS 79 Cb -0.23 -3.07 0.02 0.00 -0.13 0.00 0.00 32.58 29.16 2k54 s HIS 79 CO 0.05 -0.78 0.52 -1.21 -2.47 0.00 0.00 174.74 170.85 2k54 s GLU 80 N 1.91 2.54 -0.35 2.88 2.02 -0.73 -1.91 118.70 125.06 2k54 s GLU 80 Ca 0.08 -1.53 -0.00 0.00 0.02 0.00 0.00 54.97 53.53 2k54 s GLU 80 Cb -0.21 -2.51 0.09 0.00 0.10 0.00 0.00 34.13 31.60 2k54 s GLU 80 CO 0.09 -0.40 0.09 0.99 0.02 0.00 0.00 175.26 176.05 2k54 s THR 81 N -2.51 2.82 -0.03 3.63 2.01 0.13 -1.17 115.64 120.52 2k54 s THR 81 Ca 0.51 -1.99 -0.21 0.00 0.31 0.00 0.00 61.69 60.31 2k54 s THR 81 Cb -0.06 -2.90 -0.05 0.00 0.01 0.00 0.00 72.50 69.51 2k54 s THR 81 CO 0.31 -0.50 0.61 0.68 -0.69 0.00 0.00 174.62 175.03 2k54 s VAL 82 N 1.08 4.96 -0.11 3.82 -7.23 0.13 -2.69 120.40 120.37 2k54 s VAL 82 Ca 0.05 1.27 -0.22 0.00 -1.81 0.00 0.00 61.98 61.28 2k54 s VAL 82 Cb -0.21 -3.95 -0.03 0.00 0.56 0.00 0.00 36.38 32.75 2k54 s VAL 82 CO -0.05 0.37 0.64 -0.89 -0.31 0.00 0.00 175.10 174.87 2k54 s THR 83 N 0.11 5.06 -0.09 5.32 2.01 -0.51 -0.54 115.64 127.01 2k54 s THR 83 Ca 0.32 1.30 -0.22 0.00 0.31 0.00 0.00 61.69 63.40 2k54 s THR 83 Cb -0.18 -3.98 0.05 0.00 0.01 0.00 0.00 72.50 68.40 2k54 s THR 83 CO 0.17 0.23 0.52 0.00 -0.69 0.00 0.00 174.62 174.85 2k54 s ARG 84 N 1.05 0.81 -0.62 4.92 1.70 -1.16 -3.54 118.95 122.11 2k54 s ARG 84 Ca 0.33 0.27 -0.28 0.00 -0.47 0.00 0.00 55.73 55.58 2k54 s ARG 84 Cb -0.17 0.38 0.02 0.00 -0.57 0.00 0.00 34.95 34.61 2k54 s ARG 84 CO 0.15 -0.21 1.34 1.21 -1.08 0.00 0.00 175.30 176.71 2k54 s ASN 85 N -0.79 6.18 -0.16 -2.89 3.84 -1.26 -3.82 114.94 116.04 2k54 s ASN 85 Ca -0.09 0.04 -0.18 0.00 0.21 0.00 0.00 52.86 52.85 2k54 s ASN 85 Cb -0.03 -2.55 -0.04 0.00 -0.55 0.00 0.00 41.25 38.08 2k54 s ASN 85 CO 0.05 -1.72 0.47 -0.36 -2.79 0.00 0.00 177.10 172.75 2k54 s PHE 86 N 5.84 3.45 -0.08 0.43 0.40 -0.51 -5.00 117.98 122.51 2k54 s PHE 86 Ca 0.46 0.80 0.27 0.00 -0.60 0.00 0.00 56.93 57.86 2k54 s PHE 86 Cb -0.09 -2.57 1.37 0.00 0.51 0.00 0.00 43.02 42.24 2k54 s PHE 86 CO 0.22 0.07 1.81 -1.00 0.70 0.00 0.00 175.22 177.02 2k54 h PRO 87 N 7.03 0.00 0.05 0.24 0.13 -1.95 -2.63 132.00 134.87 2k54 h PRO 87 Ca -0.38 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.49 2k54 h PRO 87 Cb 1.17 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 2k54 h PRO 87 CO 0.75 0.00 -1.34 1.05 -0.23 0.00 0.00 178.00 178.23 2k54 h GLU 88 N 0.00 0.10 0.00 0.86 9.09 -2.02 -3.49 114.58 119.11 2k54 h GLU 88 Ca 0.00 -0.16 0.00 0.00 0.05 0.00 0.00 59.36 59.25 2k54 h GLU 88 Cb 0.10 0.06 0.00 0.00 -1.65 0.00 0.00 28.75 27.26 2k54 h GLU 88 CO 0.00 0.94 0.00 0.41 0.05 0.00 0.00 179.01 180.41 2k54 n GLY 89 N 1.51 3.78 0.00 1.06 0.00 -0.99 -5.10 105.19 105.44 2k54 n GLY 89 Ca -0.09 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -4.43 118.16 117.08 2k54 n LYS 90 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.34 2k54 n LYS 90 Cb 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 35.03 34.31 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 1.35 1.96 3.45 3.14 0.00 -1.21 -1.42 105.19 112.46 2k54 n GLY 91 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.23 3.18 -0.00 1.61 1.03 -1.04 -2.99 118.70 120.25 2k54 s GLU 92 Ca 0.00 -1.01 -0.00 0.00 0.03 0.00 0.00 54.97 53.98 2k54 s GLU 92 Cb 0.00 -4.34 -0.04 0.00 -0.80 0.00 0.00 34.13 28.95 2k54 s GLU 92 CO 0.00 -1.79 0.08 0.14 -1.33 0.00 0.00 175.26 172.36 2k54 s VAL 93 N 3.75 4.69 0.08 1.83 -7.23 0.29 -4.48 120.40 119.33 2k54 s VAL 93 Ca 0.23 -0.44 -0.30 0.00 -1.81 0.00 0.00 61.98 59.66 2k54 s VAL 93 Cb -0.16 -3.15 -0.05 0.00 0.56 0.00 0.00 36.38 33.58 2k54 s VAL 93 CO 0.07 0.34 1.04 1.51 -0.31 0.00 0.00 175.10 177.75 2k54 s ASP 94 N -1.76 7.33 -0.05 4.85 -4.77 -1.26 -0.69 116.67 120.33 2k54 s ASP 94 Ca 0.23 1.84 -0.00 0.00 -3.30 0.00 0.00 52.55 51.32 2k54 s ASP 94 Cb -0.12 -2.58 0.03 0.00 -1.09 0.00 0.00 42.92 39.15 2k54 s ASP 94 CO 0.14 -0.23 -0.00 -0.69 0.70 0.00 0.00 175.17 175.08 2k54 s VAL 95 N 0.50 0.31 -0.69 2.11 1.01 -0.32 -0.65 120.40 122.67 2k54 s VAL 95 Ca 0.51 0.09 -0.25 0.00 0.00 0.00 0.00 61.98 62.34 2k54 s VAL 95 Cb -0.25 -0.44 0.05 0.00 0.00 0.00 0.00 36.38 35.74 2k54 s VAL 95 CO 0.30 0.22 1.12 0.00 0.00 0.00 0.00 175.10 176.73 2k54 s ALA 96 N 1.54 2.95 -0.23 5.51 0.00 0.36 -1.77 121.76 130.11 2k54 s ALA 96 Ca -0.02 -1.56 -0.16 0.00 0.00 0.00 0.00 51.96 50.22 2k54 s ALA 96 Cb -0.13 -4.04 -0.04 0.00 0.00 0.00 0.00 23.12 18.91 2k54 s ALA 96 CO -0.03 -2.99 0.42 0.00 0.00 0.00 0.00 175.76 173.17 2k54 s ILE 98 N 1.73 1.68 -0.14 0.00 2.07 -0.45 -0.83 121.20 125.27 2k54 s ILE 98 Ca 0.19 -0.99 0.01 0.00 -1.41 0.00 0.00 60.65 58.45 2k54 s ILE 98 Cb -0.15 -1.72 -0.00 0.00 0.13 0.00 0.00 42.46 40.71 2k54 s ILE 98 CO 0.09 0.22 -0.17 -0.31 -1.91 0.00 0.00 174.94 172.85 2k54 s TYR 99 N 1.39 2.74 -0.40 3.50 1.51 -0.80 -1.17 117.35 124.11 2k54 s TYR 99 Ca -0.00 -0.98 -0.16 0.00 -1.01 0.00 0.00 57.07 54.92 2k54 s TYR 99 Cb -0.16 -1.84 0.01 0.00 -0.11 0.00 0.00 41.96 39.87 2k54 s TYR 99 CO -0.09 -0.42 0.35 -2.00 -1.11 0.00 0.00 175.55 172.28 2k54 s GLU 100 N 0.63 3.13 -0.18 -0.62 2.12 -0.07 -1.90 118.70 121.80 2k54 s GLU 100 Ca -0.09 -0.83 -0.11 0.00 0.36 0.00 0.00 54.97 54.29 2k54 s GLU 100 Cb -0.16 -3.94 -0.05 0.00 0.26 0.00 0.00 34.13 30.24 2k54 s GLU 100 CO 0.03 -0.73 0.20 0.08 -0.54 0.00 0.00 175.26 174.29 2k54 s VAL 101 N 1.88 5.37 -0.09 3.70 1.01 -0.04 -1.45 120.40 130.77 2k54 s VAL 101 Ca 0.08 0.34 0.01 0.00 0.00 0.00 0.00 61.98 62.41 2k54 s VAL 101 Cb -0.18 -3.54 0.02 0.00 0.00 0.00 0.00 36.38 32.69 2k54 s VAL 101 CO 0.11 0.43 -0.09 -0.70 0.00 0.00 0.00 175.10 174.85 2k54 s GLU 102 N 0.35 1.57 -1.28 2.72 2.56 0.38 -4.79 118.70 120.19 2k54 s GLU 102 Ca 0.12 -0.31 -0.06 0.00 0.00 0.00 0.00 54.97 54.72 2k54 s GLU 102 Cb -0.12 -1.48 0.01 0.00 2.00 0.00 0.00 34.13 34.54 2k54 s GLU 102 CO 0.01 -0.14 0.75 0.09 -0.56 0.00 0.00 175.26 175.41 2k54 n ASN 103 N 4.43 -5.68 0.00 -1.70 3.02 -1.26 -2.52 115.26 111.54 2k54 n ASN 103 Ca -0.18 -0.34 0.00 0.00 -0.03 0.00 0.00 54.58 54.03 2k54 n ASN 103 Cb 0.51 -4.42 0.00 0.00 -0.61 0.00 0.00 39.78 35.26 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 -1.60 0.48 3.20 7.41 0.00 -1.26 -5.00 105.19 108.43 2k54 n GLY 104 Ca -0.05 0.00 -0.29 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 -0.53 2.21 -0.41 1.61 1.81 -1.05 -4.64 118.95 117.95 2k54 s ARG 105 Ca 0.00 -0.77 -0.27 0.00 -1.72 0.00 0.00 55.73 52.97 2k54 s ARG 105 Cb 0.00 -1.88 -0.03 0.00 -0.45 0.00 0.00 34.95 32.58 2k54 s ARG 105 CO 0.00 0.31 2.00 0.42 -0.68 0.00 0.00 175.30 177.36 2k54 s ILE 106 N -0.05 3.27 -0.20 1.52 1.01 -0.48 -0.47 121.20 125.79 2k54 s ILE 106 Ca -0.04 0.24 0.19 0.00 0.00 0.00 0.00 60.65 61.03 2k54 s ILE 106 Cb -0.13 -3.49 0.01 0.00 0.01 0.00 0.00 42.46 38.86 2k54 s ILE 106 CO 0.03 -0.39 1.13 0.00 0.00 0.00 0.00 174.94 175.71 2k54 h ALA 107 N 15.07 0.66 -2.67 9.38 0.00 -1.51 -0.76 119.26 139.43 2k54 h ALA 107 Ca -0.31 -0.42 -0.13 0.00 0.00 0.00 0.00 54.91 54.04 2k54 h ALA 107 Cb 1.20 0.08 -0.21 0.00 0.00 0.00 0.00 17.79 18.87 2k54 h ALA 107 CO 1.09 0.49 -0.39 0.15 0.00 0.00 0.00 179.25 180.59 2k54 s LYS 108 N -3.08 0.56 -0.08 0.00 1.02 -0.64 -2.28 119.74 115.22 2k54 s LYS 108 Ca 0.01 -0.25 -0.07 0.00 0.02 0.00 0.00 55.97 55.68 2k54 s LYS 108 Cb 0.08 0.24 0.03 0.00 -0.52 0.00 0.00 37.83 37.66 2k54 s LYS 108 CO 0.77 -0.14 0.22 0.00 -0.92 0.00 0.00 175.35 175.28 2k54 s ALA 109 N -1.25 -0.52 0.04 5.17 0.00 0.16 -0.89 121.76 124.46 2k54 s ALA 109 Ca -0.13 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.52 2k54 s ALA 109 Cb -0.06 -0.41 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 2k54 s ALA 109 CO 0.03 -0.12 -0.04 -1.58 0.00 0.00 0.00 175.76 174.04 2k54 s TRP 110 N 0.41 0.43 -0.04 0.00 0.51 -0.32 -1.29 118.94 118.64 2k54 s TRP 110 Ca -0.02 -0.66 -0.03 0.00 -2.12 0.00 0.00 56.10 53.27 2k54 s TRP 110 Cb -0.04 -0.29 0.02 0.00 -0.81 0.00 0.00 33.47 32.35 2k54 s TRP 110 CO -0.02 -0.21 0.09 -0.59 -0.51 0.00 0.00 176.95 175.71 2k54 s PHE 111 N -2.09 -0.09 -0.08 -1.98 -0.71 -0.99 -1.34 117.98 110.70 2k54 s PHE 111 Ca -0.08 0.26 0.03 0.00 -1.04 0.00 0.00 56.93 56.10 2k54 s PHE 111 Cb -0.05 -0.02 0.01 0.00 -1.21 0.00 0.00 43.02 41.75 2k54 s PHE 111 CO -0.03 -0.07 -0.16 0.15 -1.34 0.00 0.00 175.22 173.77 2k54 s LYS 112 N 0.36 2.10 -0.05 1.99 1.02 -0.63 -1.60 119.74 122.93 2k54 s LYS 112 Ca -0.03 -0.55 -0.21 0.00 0.02 0.00 0.00 55.97 55.20 2k54 s LYS 112 Cb -0.04 -1.68 -0.04 0.00 -0.52 0.00 0.00 37.83 35.55 2k54 s LYS 112 CO -0.01 0.06 0.62 0.42 -0.92 0.00 0.00 175.35 175.52 2k54 s ILE 113 N 0.60 5.01 0.00 2.17 1.01 -1.26 -0.49 121.20 128.25 2k54 s ILE 113 Ca -0.15 1.28 0.00 0.00 0.00 0.00 0.00 60.65 61.78 2k54 s ILE 113 Cb -0.16 -3.96 0.00 0.00 0.01 0.00 0.00 42.46 38.35 2k54 s ILE 113 CO 0.05 0.33 0.74 0.61 0.00 0.00 0.00 174.94 176.67 2k54 n GLY 114 N 2.87 -2.75 3.67 6.18 0.00 0.17 -4.92 105.19 110.42 2k54 n GLY 114 Ca -0.04 0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.95 1.57 0.30 1.61 -1.05 -1.26 -5.07 118.70 112.85 2k54 s GLU 115 Ca 0.00 -0.84 -0.29 0.00 -0.15 0.00 0.00 54.97 53.69 2k54 s GLU 115 Cb 0.00 0.58 -0.10 0.00 -0.44 0.00 0.00 34.13 34.17 2k54 s GLU 115 CO 0.00 -0.70 1.39 -1.25 0.95 0.00 0.00 175.26 175.65 2k54 s PRO 116 N -3.87 4.28 -0.01 -4.83 0.04 -1.26 -4.12 135.00 125.23 2k54 s PRO 116 Ca 0.09 2.30 0.02 0.00 0.04 0.00 0.00 61.00 63.45 2k54 s PRO 116 Cb -0.04 -3.08 -0.00 0.00 0.04 0.00 0.00 34.50 31.43 2k54 s PRO 116 CO 0.00 -0.34 -0.06 1.03 0.04 0.00 0.00 177.00 177.67 2k54 s ARG 117 N -1.15 0.51 0.02 4.56 1.81 -1.26 -5.02 118.95 118.42 2k54 s ARG 117 Ca 0.54 -0.20 0.06 0.00 -1.72 0.00 0.00 55.73 54.42 2k54 s ARG 117 Cb -0.42 -0.50 -0.02 0.00 -0.45 0.00 0.00 34.95 33.56 2k54 s ARG 117 CO 0.50 0.11 -0.18 0.42 -0.68 0.00 0.00 175.30 175.46 2k54 s ILE 118 N -0.03 1.43 0.20 1.52 -1.09 -1.26 -2.50 121.20 119.48 2k54 s ILE 118 Ca 0.01 -1.00 -0.10 0.00 -2.23 0.00 0.00 60.65 57.33 2k54 s ILE 118 Cb -0.04 -1.24 0.13 0.00 -1.58 0.00 0.00 42.46 39.73 2k54 s ILE 118 CO -0.00 0.21 1.81 0.58 -1.23 0.00 0.00 174.94 176.31 2k54 h VAL 119 N 4.51 0.99 -0.30 2.92 2.07 -1.94 -2.29 116.25 122.20 2k54 h VAL 119 Ca -0.40 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 66.89 2k54 h VAL 119 Cb 1.16 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 2k54 h VAL 119 CO 0.45 0.12 0.00 -1.20 0.02 0.00 0.00 177.57 176.97 2k54 n SER 120 N -4.78 1.61 -0.22 0.57 7.64 -1.26 -4.04 113.62 113.14 2k54 n SER 120 Ca 0.08 -2.00 -0.09 0.00 1.01 0.00 0.00 58.87 57.86 2k54 n SER 120 Cb 0.15 -0.20 0.03 0.00 -1.01 0.00 0.00 64.21 63.18 2k54 n SER 120 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 2k54 h GLN 121 N 1.75 1.08 -6.22 1.43 4.15 -1.82 -3.42 115.11 112.06 2k54 h GLN 121 Ca 0.00 -0.32 -0.58 0.00 0.77 0.00 0.00 58.65 58.52 2k54 h GLN 121 Cb 0.41 -0.11 -0.08 0.00 0.21 0.00 0.00 27.48 27.91 2k54 h GLN 121 CO 0.00 1.02 -0.58 0.21 -1.93 0.00 0.00 178.83 177.55 2k54 s LYS 122 N -5.11 2.83 0.00 1.69 2.20 -1.26 -5.06 119.74 115.03 2k54 s LYS 122 Ca -0.12 -0.89 0.00 0.00 -0.36 0.00 0.00 55.97 54.60 2k54 s LYS 122 Cb 0.14 -2.61 0.00 0.00 -1.51 0.00 0.00 37.83 33.85 2k54 s LYS 122 CO 0.85 0.49 0.00 0.43 -0.36 0.00 0.00 175.35 176.76