#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 6.29 -0.14 7.83 3.02 -1.26 -4.81 115.26 126.19 2k54 n ASN 2 Ca 0.00 -3.78 -0.10 0.00 -0.03 0.00 0.00 54.58 50.67 2k54 n ASN 2 Cb 0.00 -0.73 -0.01 0.00 -0.61 0.00 0.00 39.78 38.43 2k54 n ASN 2 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2k54 h SER 3 N 2.44 0.68 0.31 6.41 4.64 -1.99 -2.32 113.55 123.72 2k54 h SER 3 Ca 0.47 -0.30 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 2k54 h SER 3 Cb 0.81 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 2k54 h SER 3 CO 1.18 0.81 0.00 -1.84 -0.87 0.00 0.00 176.83 176.11 2k54 n GLU 4 N -4.46 0.15 -0.06 4.77 0.00 -1.26 -1.04 120.64 118.73 2k54 n GLU 4 Ca -0.01 0.18 -0.09 0.00 0.00 0.00 0.00 57.16 57.25 2k54 n GLU 4 Cb 0.28 -1.50 -0.15 0.00 0.00 0.00 0.00 31.44 30.07 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 -1.34 1.44 0.08 3.84 2.08 -0.91 -4.34 119.36 120.22 2k54 n ILE 5 Ca 0.06 -0.82 -0.10 0.00 0.56 0.00 0.00 62.75 62.44 2k54 n ILE 5 Cb 0.12 -0.69 -0.06 0.00 -0.75 0.00 0.00 39.64 38.26 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 0.19 -0.10 0.38 5.08 -0.85 -3.36 114.58 115.92 2k54 h GLU 6 Ca -0.42 -0.25 0.01 0.00 -1.00 0.00 0.00 59.36 57.70 2k54 h GLU 6 Cb 2.11 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 31.43 2k54 h GLU 6 CO 0.05 1.04 0.02 -0.07 -1.00 0.00 0.00 179.01 179.04 2k54 h LEU 7 N 0.09 0.00 0.59 1.33 3.38 -1.28 -1.72 115.31 117.69 2k54 h LEU 7 Ca -0.06 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2k54 h LEU 7 Cb 1.67 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.43 2k54 h LEU 7 CO 0.15 0.02 -0.46 1.55 0.09 0.00 0.00 178.44 179.79 2k54 h PRO 8 N 0.06 -0.98 0.00 1.13 0.13 -1.78 -2.96 132.00 127.60 2k54 h PRO 8 Ca 0.04 0.07 -0.04 0.00 -0.87 0.00 0.00 66.00 65.20 2k54 h PRO 8 Cb 0.04 0.22 -0.01 0.00 0.13 0.00 0.00 31.00 31.38 2k54 h PRO 8 CO -0.06 -0.65 -0.20 -0.39 -0.23 0.00 0.00 178.00 176.47 2k54 h VAL 9 N -1.01 1.10 0.30 1.56 -1.51 -1.69 -0.90 116.25 114.10 2k54 h VAL 9 Ca -0.08 -0.71 -0.01 0.00 -1.23 0.00 0.00 66.70 64.67 2k54 h VAL 9 Cb 0.85 1.39 0.00 0.00 -2.13 0.00 0.00 31.29 31.40 2k54 h VAL 9 CO 0.01 0.20 -0.14 -0.61 -1.23 0.00 0.00 177.57 175.80 2k54 h GLN 10 N 0.00 -0.39 -0.42 5.19 5.75 -1.38 -2.33 115.11 121.53 2k54 h GLN 10 Ca -0.00 0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 58.49 2k54 h GLN 10 Cb 0.37 0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.99 2k54 h GLN 10 CO 0.03 -0.05 0.10 0.87 -2.65 0.00 0.00 178.83 177.13 2k54 h LYS 11 N -0.84 0.62 -0.05 1.69 1.79 -1.26 -2.45 116.57 116.07 2k54 h LYS 11 Ca -0.04 -0.11 -0.19 0.00 -2.18 0.00 0.00 60.65 58.14 2k54 h LYS 11 Cb 0.52 -0.10 0.01 0.00 -1.58 0.00 0.00 32.23 31.08 2k54 h LYS 11 CO 0.07 0.56 -0.69 1.96 -1.08 0.00 0.00 179.45 180.27 2k54 h GLN 12 N 0.60 0.56 -0.31 3.15 4.20 -1.27 -1.61 115.11 120.44 2k54 h GLN 12 Ca 0.14 -0.54 -0.00 0.00 0.06 0.00 0.00 58.65 58.31 2k54 h GLN 12 Cb 0.22 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 2k54 h GLN 12 CO -0.00 1.16 0.19 1.25 -0.67 0.00 0.00 178.83 180.75 2k54 h LEU 13 N 0.16 0.37 -0.14 1.46 5.85 -1.24 0.23 115.31 122.00 2k54 h LEU 13 Ca -0.07 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.63 2k54 h LEU 13 Cb 1.36 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.27 2k54 h LEU 13 CO 0.14 0.31 -0.03 -0.33 -0.34 0.00 0.00 178.44 178.19 2k54 h GLU 14 N 0.40 0.01 0.00 1.25 5.08 -1.51 -2.81 114.58 117.00 2k54 h GLU 14 Ca 0.11 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 2k54 h GLU 14 Cb 0.00 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2k54 h GLU 14 CO -0.02 0.00 -0.11 0.00 -1.00 0.00 0.00 179.01 177.88 2k54 h ALA 15 N 1.14 1.40 -0.46 3.43 0.00 -0.88 0.23 119.26 124.13 2k54 h ALA 15 Ca 0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2k54 h ALA 15 Cb 0.10 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2k54 h ALA 15 CO -0.14 0.14 0.16 -0.92 0.00 0.00 0.00 179.25 178.49 2k54 h TYR 16 N 0.00 0.72 0.00 0.00 3.20 -0.28 0.02 116.97 120.63 2k54 h TYR 16 Ca -0.00 -0.07 -0.25 0.00 3.14 0.00 0.00 58.73 61.56 2k54 h TYR 16 Cb 0.28 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.30 2k54 h TYR 16 CO 0.00 0.63 -1.67 0.27 -1.64 0.00 0.00 178.16 175.76 2k54 n ASN 17 N -4.56 0.77 0.00 -2.11 0.23 -1.10 -4.16 115.26 104.33 2k54 n ASN 17 Ca 0.01 0.36 0.14 0.00 -0.53 0.00 0.00 54.58 54.55 2k54 n ASN 17 Cb 0.17 0.15 0.58 0.00 -2.08 0.00 0.00 39.78 38.61 2k54 n ASN 17 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2k54 n ALA 18 N -2.51 2.43 -2.95 -2.53 0.00 0.05 -4.95 120.51 110.06 2k54 n ALA 18 Ca -0.15 -0.12 -0.11 0.00 0.00 0.00 0.00 53.44 53.06 2k54 n ALA 18 Cb 0.97 -1.44 0.05 0.00 0.00 0.00 0.00 19.45 19.03 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 -1.54 -4.01 -3.84 0.00 5.12 -0.08 -4.99 116.66 107.33 2k54 n ARG 19 Ca 0.07 0.46 -0.34 0.00 -1.93 0.00 0.00 57.85 56.11 2k54 n ARG 19 Cb 0.34 -4.34 -0.12 0.00 -1.16 0.00 0.00 32.46 27.18 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 -3.44 4.92 0.30 0.55 1.11 -0.74 -4.96 116.67 114.40 2k54 s ASP 20 Ca 0.17 -2.62 0.12 0.00 0.18 0.00 0.00 52.55 50.40 2k54 s ASP 20 Cb -0.08 -1.76 0.44 0.00 1.07 0.00 0.00 42.92 42.60 2k54 s ASP 20 CO 0.40 -0.37 1.65 0.40 1.18 0.00 0.00 175.17 178.43 2k54 h ILE 21 N 5.76 1.37 -0.50 0.77 1.08 -1.95 -1.94 117.51 122.10 2k54 h ILE 21 Ca -0.06 -1.94 0.01 0.00 -0.39 0.00 0.00 64.86 62.48 2k54 h ILE 21 Cb 0.97 2.06 -0.03 0.00 -3.07 0.00 0.00 36.82 36.75 2k54 h ILE 21 CO 0.68 0.55 0.32 -0.78 -0.69 0.00 0.00 178.15 178.23 2k54 h ASP 22 N 0.00 0.56 0.80 1.72 3.58 -1.98 0.31 116.42 121.40 2k54 h ASP 22 Ca -0.01 -0.01 -0.23 0.00 0.42 0.00 0.00 57.03 57.20 2k54 h ASP 22 Cb 1.01 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.91 2k54 h ASP 22 CO 0.07 0.40 -1.08 0.00 -2.88 0.00 0.00 179.24 175.75 2k54 h ALA 23 N 1.19 0.27 0.00 -0.78 0.00 -1.95 0.18 119.26 118.18 2k54 h ALA 23 Ca 0.19 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.22 2k54 h ALA 23 Cb -0.06 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2k54 h ALA 23 CO -0.05 1.09 0.00 0.34 0.00 0.00 0.00 179.25 180.63 2k54 n PHE 24 N -3.47 0.06 -0.04 0.00 7.35 -0.73 -2.87 117.46 117.75 2k54 n PHE 24 Ca -0.04 0.02 -0.04 0.00 -0.76 0.00 0.00 57.45 56.63 2k54 n PHE 24 Cb 0.95 -0.54 -0.07 0.00 0.35 0.00 0.00 39.48 40.18 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 -1.55 2.54 -0.00 -4.13 1.56 0.11 -4.82 117.12 110.82 2k54 n MET 25 Ca 0.03 -0.01 -0.10 0.00 -0.27 0.00 0.00 57.70 57.36 2k54 n MET 25 Cb 0.18 -1.22 -0.03 0.00 2.15 0.00 0.00 33.22 34.29 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 0.43 -0.29 0.00 -5.12 0.00 -0.81 -2.50 119.26 110.97 2k54 h ALA 26 Ca -0.23 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2k54 h ALA 26 Cb 1.50 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.83 2k54 h ALA 26 CO 0.01 -0.75 0.00 0.91 0.00 0.00 0.00 179.25 179.42 2k54 n TRP 27 N -5.39 0.00 -3.12 0.00 7.02 -1.25 -4.75 117.44 109.95 2k54 n TRP 27 Ca -0.03 0.00 -0.24 0.00 -1.02 0.00 0.00 57.50 56.22 2k54 n TRP 27 Cb 0.31 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.20 2k54 n TRP 27 CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 2k54 s TRP 28 N -2.00 3.36 0.48 -5.99 0.52 -0.94 -1.53 118.94 112.83 2k54 s TRP 28 Ca 0.24 0.32 -0.19 0.00 0.02 0.00 0.00 56.10 56.49 2k54 s TRP 28 Cb 0.11 -2.14 -0.09 0.00 -1.15 0.00 0.00 33.47 30.19 2k54 s TRP 28 CO 0.18 -0.16 0.97 0.00 0.02 0.00 0.00 176.95 177.96 2k54 s ALA 29 N -2.47 3.04 0.34 0.98 0.00 -0.29 -4.57 121.76 118.78 2k54 s ALA 29 Ca 0.45 0.31 0.19 0.00 0.00 0.00 0.00 51.96 52.91 2k54 s ALA 29 Cb -0.10 -3.14 0.98 0.00 0.00 0.00 0.00 23.12 20.86 2k54 s ALA 29 CO 0.38 -0.08 1.90 0.22 0.00 0.00 0.00 175.76 178.18 2k54 h ASP 30 N 1.40 0.00 -0.41 0.00 3.58 -1.95 -2.49 116.42 116.55 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 0.61 0.27 0.00 -0.90 -2.88 0.00 0.00 179.24 176.34 2k54 n ASP 31 N -3.82 4.55 -4.74 2.28 5.75 -1.26 -1.47 116.55 117.84 2k54 n ASP 31 Ca -0.01 -2.87 -0.42 0.00 -0.01 0.00 0.00 54.79 51.47 2k54 n ASP 31 Cb 0.36 -0.58 -0.02 0.00 -1.03 0.00 0.00 41.12 39.85 2k54 n ASP 31 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k54 s GLN 33 N -0.06 3.95 -0.14 0.00 -1.52 -0.91 -0.93 119.66 120.05 2k54 s GLN 33 Ca 0.66 0.53 -0.04 0.00 -1.95 0.00 0.00 55.36 54.55 2k54 s GLN 33 Cb -0.48 -2.60 0.05 0.00 -0.22 0.00 0.00 33.01 29.76 2k54 s GLN 33 CO 0.44 0.27 0.10 -0.47 -0.25 0.00 0.00 175.29 175.37 2k54 s TYR 34 N -1.83 0.11 0.17 0.91 5.04 0.09 -0.97 117.35 120.87 2k54 s TYR 34 Ca 0.49 -0.09 0.06 0.00 -2.44 0.00 0.00 57.07 55.09 2k54 s TYR 34 Cb -0.12 -0.60 -0.04 0.00 0.35 0.00 0.00 41.96 41.56 2k54 s TYR 34 CO 0.19 -0.43 0.07 0.71 -1.34 0.00 0.00 175.55 174.75 2k54 s TYR 35 N 2.17 3.00 0.19 4.97 1.51 -0.46 -0.35 117.35 128.38 2k54 s TYR 35 Ca 0.03 -0.08 0.09 0.00 -1.01 0.00 0.00 57.07 56.10 2k54 s TYR 35 Cb -0.15 -1.44 -0.04 0.00 -0.11 0.00 0.00 41.96 40.22 2k54 s TYR 35 CO -0.08 0.52 -0.06 0.00 -1.11 0.00 0.00 175.55 174.82 2k54 s ALA 36 N -1.75 3.04 0.02 3.71 0.00 -0.11 -2.76 121.76 123.90 2k54 s ALA 36 Ca 0.29 -1.48 -0.35 0.00 0.00 0.00 0.00 51.96 50.43 2k54 s ALA 36 Cb -0.10 -0.80 -0.14 0.00 0.00 0.00 0.00 23.12 22.09 2k54 s ALA 36 CO 0.21 0.44 1.67 0.34 0.00 0.00 0.00 175.76 178.42 2k54 n PHE 37 N -0.14 2.17 0.03 0.00 7.35 -0.65 -1.41 117.46 124.81 2k54 n PHE 37 Ca -0.10 0.25 -0.05 0.00 -0.76 0.00 0.00 57.45 56.79 2k54 n PHE 37 Cb 0.56 -2.55 -0.03 0.00 0.35 0.00 0.00 39.48 37.81 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 7.04 -0.17 -1.94 -7.13 0.13 -1.99 -3.45 132.00 124.48 2k54 h PRO 38 Ca -0.47 0.01 -0.47 0.00 -0.87 0.00 0.00 66.00 64.20 2k54 h PRO 38 Cb 1.28 0.04 -0.32 0.00 0.13 0.00 0.00 31.00 32.13 2k54 h PRO 38 CO 0.90 0.02 -0.86 0.00 -0.23 0.00 0.00 178.00 177.83 2k54 n ALA 39 N -2.73 1.58 -3.91 -0.56 0.00 -0.88 -4.91 120.51 109.11 2k54 n ALA 39 Ca -0.04 -2.59 -0.30 0.00 0.00 0.00 0.00 53.44 50.51 2k54 n ALA 39 Cb 0.14 -0.95 -0.15 0.00 0.00 0.00 0.00 19.45 18.48 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 0.17 1.53 -0.50 0.00 2.01 -0.50 -4.90 115.64 113.44 2k54 s THR 40 Ca 0.32 -1.47 -0.27 0.00 0.31 0.00 0.00 61.69 60.59 2k54 s THR 40 Cb 0.05 -1.93 -0.04 0.00 0.01 0.00 0.00 72.50 70.59 2k54 s THR 40 CO -0.16 -0.32 2.03 -0.22 -0.69 0.00 0.00 174.62 175.26 2k54 s LEU 41 N 1.35 3.37 0.07 4.42 2.96 -1.26 -0.94 118.68 128.65 2k54 s LEU 41 Ca 0.01 0.82 -0.06 0.00 -0.22 0.00 0.00 54.13 54.67 2k54 s LEU 41 Cb -0.19 -2.76 -0.29 0.00 0.50 0.00 0.00 46.19 43.46 2k54 s LEU 41 CO -0.10 -2.38 1.13 -0.07 -1.32 0.00 0.00 176.35 173.60 2k54 h LEU 42 N 16.78 0.51 -7.30 -0.68 3.38 -1.04 -3.47 115.31 123.49 2k54 h LEU 42 Ca -0.28 -0.53 -0.31 0.00 0.09 0.00 0.00 57.88 56.85 2k54 h LEU 42 Cb 1.20 -0.16 -0.36 0.00 0.09 0.00 0.00 40.66 41.42 2k54 h LEU 42 CO 1.15 1.41 -0.66 0.00 0.09 0.00 0.00 178.44 180.43 2k54 s ALA 43 N -2.68 -0.07 -0.55 1.53 0.00 -1.04 -4.96 121.76 113.99 2k54 s ALA 43 Ca -0.05 0.47 0.01 0.00 0.00 0.00 0.00 51.96 52.40 2k54 s ALA 43 Cb 0.07 -0.72 0.55 0.00 0.00 0.00 0.00 23.12 23.02 2k54 s ALA 43 CO 0.89 -0.49 1.95 0.41 0.00 0.00 0.00 175.76 178.52 2k54 n GLY 44 N 5.17 5.27 0.00 0.00 0.00 -1.26 -0.73 105.19 113.64 2k54 n GLY 44 Ca -0.07 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.02 0.00 -0.11 1.61 0.23 -0.11 -4.68 115.26 111.19 2k54 n ASN 45 Ca 0.60 0.00 -0.04 0.00 -0.53 0.00 0.00 54.58 54.61 2k54 n ASN 45 Cb 1.12 0.00 0.17 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 1.13 -0.83 -2.53 0.00 -1.38 -3.15 119.26 112.50 2k54 h ALA 46 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2k54 h ALA 46 Cb 0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 2k54 h ALA 46 CO 0.00 0.56 0.53 0.00 0.00 0.00 0.00 179.25 180.35 2k54 h ALA 47 N 1.28 1.39 0.02 0.00 0.00 -1.92 -1.73 119.26 118.31 2k54 h ALA 47 Ca 0.15 -0.07 -0.21 0.00 0.00 0.00 0.00 54.91 54.78 2k54 h ALA 47 Cb 0.43 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2k54 h ALA 47 CO 0.02 0.56 -0.96 0.93 0.00 0.00 0.00 179.25 179.80 2k54 h GLU 48 N 1.12 0.22 0.04 0.00 5.08 -1.96 -3.20 114.58 115.89 2k54 h GLU 48 Ca 0.30 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2k54 h GLU 48 Cb -0.11 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2k54 h GLU 48 CO -0.06 1.02 -0.02 0.82 -1.00 0.00 0.00 179.01 179.77 2k54 h ILE 49 N 0.11 1.02 -0.01 3.13 2.04 -1.32 -2.27 117.51 120.21 2k54 h ILE 49 Ca -0.06 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 2k54 h ILE 49 Cb 1.61 1.14 -0.00 0.00 -0.74 0.00 0.00 36.82 38.84 2k54 h ILE 49 CO 0.15 0.05 0.00 0.08 0.00 0.00 0.00 178.15 178.43 2k54 h ARG 50 N -0.14 0.01 -0.73 2.37 0.11 -1.48 -2.71 114.38 111.81 2k54 h ARG 50 Ca -0.01 -0.00 0.02 0.00 0.10 0.00 0.00 59.98 60.09 2k54 h ARG 50 Cb 0.12 -0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.16 2k54 h ARG 50 CO 0.01 0.10 0.47 0.28 0.10 0.00 0.00 179.97 180.94 2k54 h VAL 51 N -0.09 1.14 -0.72 0.08 2.07 -1.56 0.14 116.25 117.32 2k54 h VAL 51 Ca 0.00 -0.33 0.09 0.00 0.82 0.00 0.00 66.70 67.28 2k54 h VAL 51 Cb 0.10 0.11 -0.07 0.00 -1.52 0.00 0.00 31.29 29.91 2k54 h VAL 51 CO -0.00 0.17 0.38 -0.09 0.02 0.00 0.00 177.57 178.05 2k54 h ARG 52 N 0.95 0.63 0.00 1.57 9.65 -1.34 -2.25 114.38 123.59 2k54 h ARG 52 Ca 0.28 -0.04 -0.19 0.00 -1.10 0.00 0.00 59.98 58.94 2k54 h ARG 52 Cb -0.05 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 28.36 2k54 h ARG 52 CO -0.09 0.42 -0.89 0.45 2.80 0.00 0.00 179.97 182.66 2k54 h HIS 53 N 0.65 0.00 -0.78 2.20 3.86 -0.93 -3.26 115.15 116.90 2k54 h HIS 53 Ca 0.35 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.54 2k54 h HIS 53 Cb 0.33 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.76 2k54 h HIS 53 CO -0.09 0.89 0.43 0.82 0.86 0.00 0.00 177.93 180.83 2k54 h ILE 54 N 0.00 1.23 -0.99 2.45 2.04 -0.19 0.45 117.51 122.50 2k54 h ILE 54 Ca -0.01 -0.57 0.03 0.00 1.00 0.00 0.00 64.86 65.31 2k54 h ILE 54 Cb 1.60 0.18 -0.06 0.00 -0.74 0.00 0.00 36.82 37.80 2k54 h ILE 54 CO 0.12 0.26 0.65 -0.33 0.00 0.00 0.00 178.15 178.84 2k54 h GLU 55 N 1.09 1.23 -0.10 2.37 5.08 -1.51 -1.97 114.58 120.76 2k54 h GLU 55 Ca 0.28 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.43 2k54 h GLU 55 Cb 0.02 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 28.98 2k54 h GLU 55 CO -0.04 0.82 -0.51 -0.09 -1.00 0.00 0.00 179.01 178.19 2k54 h ARG 56 N 1.27 0.27 0.00 2.33 9.65 -1.24 -3.02 114.38 123.64 2k54 h ARG 56 Ca 0.39 -0.16 0.00 0.00 -1.10 0.00 0.00 59.98 59.11 2k54 h ARG 56 Cb -0.02 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.57 2k54 h ARG 56 CO -0.12 0.72 0.00 1.19 2.80 0.00 0.00 179.97 184.56 2k54 n PHE 57 N -3.95 0.00 0.18 2.20 3.01 0.02 -2.73 117.46 116.19 2k54 n PHE 57 Ca -0.02 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.48 2k54 n PHE 57 Cb 0.55 -0.43 0.33 0.00 -0.01 0.00 0.00 39.48 39.92 2k54 n PHE 57 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 2k54 h LYS 58 N 0.00 0.00 -6.26 -1.08 1.79 -1.31 -3.43 116.57 106.29 2k54 h LYS 58 Ca 0.00 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.91 2k54 h LYS 58 Cb 0.32 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.95 2k54 h LYS 58 CO 0.00 0.40 1.14 -1.21 -1.08 0.00 0.00 179.45 178.70 2k54 s GLU 59 N -3.72 3.93 0.53 3.15 8.01 -1.11 -4.89 118.70 124.61 2k54 s GLU 59 Ca -0.01 1.96 0.31 0.00 0.01 0.00 0.00 54.97 57.24 2k54 s GLU 59 Cb 0.12 -4.04 1.42 0.00 -4.31 0.00 0.00 34.13 27.31 2k54 s GLU 59 CO 0.70 -1.14 2.02 -1.00 0.01 0.00 0.00 175.26 175.85 2k54 h PRO 60 N 10.49 0.00 -0.00 0.39 0.13 -1.90 -2.68 132.00 138.43 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 0.98 0.08 -0.16 -0.40 -0.23 0.00 0.00 178.00 178.27 2k54 n ASP 61 N -3.29 0.55 -4.67 1.44 5.75 -1.26 -4.88 116.55 110.20 2k54 n ASP 61 Ca -0.01 -0.54 -0.42 0.00 -0.01 0.00 0.00 54.79 53.81 2k54 n ASP 61 Cb 0.29 -0.03 -0.03 0.00 -1.03 0.00 0.00 41.12 40.32 2k54 n ASP 61 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2k54 s LEU 62 N -2.55 4.39 -0.20 -2.12 2.96 -1.01 -4.27 118.68 115.88 2k54 s LEU 62 Ca 0.26 2.53 -0.06 0.00 -0.22 0.00 0.00 54.13 56.64 2k54 s LEU 62 Cb 0.20 -3.54 0.10 0.00 0.50 0.00 0.00 46.19 43.44 2k54 s LEU 62 CO 0.50 -0.99 0.38 -0.47 -1.32 0.00 0.00 176.35 174.45 2k54 s TYR 63 N 4.02 -0.73 -0.57 5.38 5.04 -1.15 -4.91 117.35 124.43 2k54 s TYR 63 Ca 0.82 1.26 -0.20 0.00 -2.44 0.00 0.00 57.07 56.50 2k54 s TYR 63 Cb -0.40 0.17 0.07 0.00 0.35 0.00 0.00 41.96 42.16 2k54 s TYR 63 CO 0.36 -0.51 0.75 0.20 -1.34 0.00 0.00 175.55 175.02 2k54 s GLY 64 N 2.56 1.65 -0.54 8.97 0.00 -1.26 -0.86 107.32 117.85 2k54 s GLY 64 Ca 0.02 -1.87 -0.18 0.00 0.00 0.00 0.00 44.72 42.69 2k54 s GLY 64 CO -0.13 1.69 0.63 1.85 0.00 0.00 0.00 173.10 177.14 2k54 s GLU 65 N 3.08 3.07 0.32 2.90 2.12 -0.71 -4.79 118.70 124.69 2k54 s GLU 65 Ca 0.17 -1.14 -0.29 0.00 0.36 0.00 0.00 54.97 54.07 2k54 s GLU 65 Cb -0.20 -4.18 -0.10 0.00 0.26 0.00 0.00 34.13 29.91 2k54 s GLU 65 CO 0.10 -1.33 1.28 -1.17 -0.54 0.00 0.00 175.26 173.60 2k54 s LEU 66 N 2.50 4.45 -0.15 2.70 2.96 -1.26 -1.11 118.68 128.77 2k54 s LEU 66 Ca 0.12 2.62 -0.10 0.00 -0.22 0.00 0.00 54.13 56.56 2k54 s LEU 66 Cb -0.22 -3.65 -0.06 0.00 0.50 0.00 0.00 46.19 42.76 2k54 s LEU 66 CO 0.09 -0.48 -0.23 0.18 -1.32 0.00 0.00 176.35 174.59 2k54 n LEU 67 N 0.89 1.36 -3.78 -0.68 4.77 -0.52 -4.93 117.00 114.10 2k54 n LEU 67 Ca -0.00 0.23 -0.13 0.00 -0.03 0.00 0.00 56.01 56.08 2k54 n LEU 67 Cb 0.42 -0.54 -0.10 0.00 -2.33 0.00 0.00 43.42 40.87 2k54 n LEU 67 CO 0.58 0.12 -0.04 -0.89 -1.33 0.00 0.00 177.39 175.83 2k54 s THR 68 N -2.40 0.03 -0.03 -5.08 2.01 -1.00 -5.07 115.64 104.09 2k54 s THR 68 Ca -0.23 -0.25 -0.01 0.00 0.31 0.00 0.00 61.69 61.51 2k54 s THR 68 Cb 0.07 -0.48 0.03 0.00 0.01 0.00 0.00 72.50 72.13 2k54 s THR 68 CO 0.30 -0.14 0.06 0.00 -0.69 0.00 0.00 174.62 174.15 2k54 s ARG 69 N -0.55 -0.02 0.14 4.92 1.70 -1.26 -0.96 118.95 122.92 2k54 s ARG 69 Ca -0.07 0.25 0.09 0.00 -0.47 0.00 0.00 55.73 55.54 2k54 s ARG 69 Cb -0.04 -0.27 -0.04 0.00 -0.57 0.00 0.00 34.95 34.03 2k54 s ARG 69 CO 0.02 -0.19 -0.21 0.14 -1.08 0.00 0.00 175.30 173.97 2k54 s VAL 70 N 1.26 1.89 -0.10 4.99 -7.23 -0.72 -5.00 120.40 115.49 2k54 s VAL 70 Ca -0.07 -1.74 -0.01 0.00 -1.81 0.00 0.00 61.98 58.35 2k54 s VAL 70 Cb -0.13 -1.77 0.03 0.00 0.56 0.00 0.00 36.38 35.08 2k54 s VAL 70 CO -0.04 -0.13 -0.02 -0.51 -0.31 0.00 0.00 175.10 174.10 2k54 s ILE 71 N -1.48 0.62 -0.52 -0.62 2.07 -1.26 -0.78 121.20 119.23 2k54 s ILE 71 Ca 0.12 -0.11 -0.03 0.00 -1.41 0.00 0.00 60.65 59.22 2k54 s ILE 71 Cb -0.08 -0.77 0.14 0.00 0.13 0.00 0.00 42.46 41.87 2k54 s ILE 71 CO 0.06 0.24 0.34 -0.69 -1.91 0.00 0.00 174.94 172.97 2k54 s VAL 72 N 1.87 3.59 0.00 4.00 1.01 0.27 -4.99 120.40 126.15 2k54 s VAL 72 Ca 0.04 -2.48 0.00 0.00 0.00 0.00 0.00 61.98 59.54 2k54 s VAL 72 Cb -0.13 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.86 2k54 s VAL 72 CO -0.06 -0.79 0.00 0.61 0.00 0.00 0.00 175.10 174.85 2k54 n GLY 73 N 4.07 1.66 1.05 4.51 0.00 -1.26 -1.91 105.19 113.32 2k54 n GLY 73 Ca 0.02 0.28 0.07 0.00 0.00 0.00 0.00 46.02 46.40 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 11.41 3.06 -4.13 1.61 6.94 -1.26 -4.88 115.26 128.01 2k54 n ASN 74 Ca 0.00 -2.15 -0.26 0.00 -0.02 0.00 0.00 54.58 52.14 2k54 n ASN 74 Cb 0.00 -0.41 -0.16 0.00 -2.36 0.00 0.00 39.78 36.85 2k54 n ASN 74 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2k54 s VAL 75 N -1.54 1.46 -0.04 3.53 1.01 -0.80 -1.12 120.40 122.90 2k54 s VAL 75 Ca 0.34 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.65 2k54 s VAL 75 Cb 0.20 -1.26 -0.00 0.00 0.00 0.00 0.00 36.38 35.32 2k54 s VAL 75 CO 0.20 0.42 -0.17 -0.69 0.00 0.00 0.00 175.10 174.85 2k54 s VAL 76 N 0.13 1.46 -0.48 2.92 1.01 -0.90 -0.56 120.40 123.99 2k54 s VAL 76 Ca -0.06 -0.73 -0.16 0.00 0.00 0.00 0.00 61.98 61.03 2k54 s VAL 76 Cb -0.13 -1.26 0.07 0.00 0.00 0.00 0.00 36.38 35.07 2k54 s VAL 76 CO 0.03 0.42 0.41 -0.63 0.00 0.00 0.00 175.10 175.33 2k54 s ILE 77 N 0.04 5.22 -0.50 2.22 -1.09 0.04 -0.91 121.20 126.22 2k54 s ILE 77 Ca -0.04 -1.06 -0.19 0.00 -2.23 0.00 0.00 60.65 57.13 2k54 s ILE 77 Cb -0.12 -4.14 0.05 0.00 -1.58 0.00 0.00 42.46 36.68 2k54 s ILE 77 CO 0.02 -0.59 0.63 -1.81 -1.23 0.00 0.00 174.94 171.96 2k54 s ASP 78 N 2.63 6.23 -0.45 3.58 1.11 -0.39 -1.75 116.67 127.62 2k54 s ASP 78 Ca 0.04 -0.86 -0.15 0.00 0.18 0.00 0.00 52.55 51.76 2k54 s ASP 78 Cb -0.24 -2.29 0.06 0.00 1.07 0.00 0.00 42.92 41.51 2k54 s ASP 78 CO 0.07 -0.88 0.36 -2.28 1.18 0.00 0.00 175.17 173.61 2k54 s HIS 79 N 2.65 3.25 0.34 4.23 2.46 -0.13 -1.09 115.29 127.00 2k54 s HIS 79 Ca 0.16 -0.83 0.05 0.00 0.47 0.00 0.00 55.06 54.90 2k54 s HIS 79 Cb -0.19 -2.97 -0.07 0.00 -0.13 0.00 0.00 32.58 29.22 2k54 s HIS 79 CO 0.12 -0.73 0.03 -1.83 -2.47 0.00 0.00 174.74 169.86 2k54 s GLU 80 N 1.65 1.70 -0.28 2.88 4.04 -0.74 -1.44 118.70 126.51 2k54 s GLU 80 Ca 0.04 -1.94 0.00 0.00 0.04 0.00 0.00 54.97 53.12 2k54 s GLU 80 Cb -0.23 -1.08 0.05 0.00 0.02 0.00 0.00 34.13 32.90 2k54 s GLU 80 CO 0.08 -0.12 -0.04 0.99 -1.84 0.00 0.00 175.26 174.32 2k54 s THR 81 N -3.12 2.68 -0.64 1.83 2.01 -0.27 -0.89 115.64 117.23 2k54 s THR 81 Ca 0.35 -1.47 -0.27 0.00 0.31 0.00 0.00 61.69 60.61 2k54 s THR 81 Cb 0.08 -2.54 0.03 0.00 0.01 0.00 0.00 72.50 70.08 2k54 s THR 81 CO 0.16 -0.07 1.18 -0.69 -0.69 0.00 0.00 174.62 174.51 2k54 s VAL 82 N 1.20 3.97 -0.07 3.82 1.01 0.07 -1.73 120.40 128.66 2k54 s VAL 82 Ca -0.07 0.56 -0.30 0.00 0.00 0.00 0.00 61.98 62.18 2k54 s VAL 82 Cb -0.20 -4.77 -0.05 0.00 0.00 0.00 0.00 36.38 31.35 2k54 s VAL 82 CO -0.03 -1.52 1.71 -0.89 0.00 0.00 0.00 175.10 174.38 2k54 s THR 83 N 5.07 3.51 0.00 3.92 2.01 -0.04 -1.38 115.64 128.73 2k54 s THR 83 Ca 0.37 0.60 0.00 0.00 0.31 0.00 0.00 61.69 62.97 2k54 s THR 83 Cb -0.09 -3.42 0.00 0.00 0.01 0.00 0.00 72.50 69.00 2k54 s THR 83 CO 0.20 -0.09 0.00 0.54 -0.69 0.00 0.00 174.62 174.58 2k54 n ARG 84 N 7.33 1.72 -4.01 4.92 1.74 -0.72 -2.94 116.66 124.69 2k54 n ARG 84 Ca 0.18 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.93 2k54 n ARG 84 Cb 0.43 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.73 2k54 n ARG 84 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2k54 s ASN 85 N -0.86 4.63 0.02 0.55 0.02 -1.24 -4.03 114.94 114.03 2k54 s ASN 85 Ca 0.00 -1.40 0.00 0.00 -1.02 0.00 0.00 52.86 50.44 2k54 s ASN 85 Cb 0.00 -1.61 -0.04 0.00 0.02 0.00 0.00 41.25 39.62 2k54 s ASN 85 CO 0.00 -0.23 0.10 -0.36 0.02 0.00 0.00 177.10 176.63 2k54 s PHE 86 N 1.14 3.31 -1.01 2.20 0.40 -0.89 -4.93 117.98 118.20 2k54 s PHE 86 Ca -0.07 0.19 0.13 0.00 -0.60 0.00 0.00 56.93 56.59 2k54 s PHE 86 Cb -0.20 -1.72 0.56 0.00 0.51 0.00 0.00 43.02 42.17 2k54 s PHE 86 CO -0.04 0.56 1.42 -0.35 0.70 0.00 0.00 175.22 177.51 2k54 n PRO 87 N 0.90 0.01 0.04 0.24 -0.04 -1.26 -1.63 135.00 133.26 2k54 n PRO 87 Ca -0.11 0.27 0.11 0.00 -0.04 0.00 0.00 63.50 63.74 2k54 n PRO 87 Cb 0.52 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.54 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 0.32 0.00 0.54 0.00 -1.26 -5.07 120.64 113.67 2k54 n GLU 88 Ca 0.03 0.03 0.00 0.00 0.00 0.00 0.00 57.16 57.22 2k54 n GLU 88 Cb 0.15 -1.63 0.00 0.00 0.00 0.00 0.00 31.44 29.96 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 1.35 -0.49 0.00 -1.84 0.00 -0.64 -5.00 105.19 98.56 2k54 n GLY 89 Ca 0.02 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -3.51 118.16 118.00 2k54 n LYS 90 Ca 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 2k54 n LYS 90 Cb 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 35.03 34.26 2k54 n LYS 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2k54 n GLY 91 N -0.36 1.97 3.62 3.14 0.00 -1.20 -2.10 105.19 110.27 2k54 n GLY 91 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.19 4.08 -0.17 1.61 -1.05 -0.65 -1.76 118.70 120.57 2k54 s GLU 92 Ca 0.00 0.51 -0.00 0.00 -0.15 0.00 0.00 54.97 55.32 2k54 s GLU 92 Cb 0.00 -3.66 0.00 0.00 -0.44 0.00 0.00 34.13 30.03 2k54 s GLU 92 CO 0.00 -0.44 -0.15 0.14 0.95 0.00 0.00 175.26 175.77 2k54 s VAL 93 N 2.52 2.64 -0.51 1.83 -7.23 -0.48 -1.05 120.40 118.12 2k54 s VAL 93 Ca 0.26 -0.76 -0.26 0.00 -1.81 0.00 0.00 61.98 59.41 2k54 s VAL 93 Cb -0.15 -2.13 0.03 0.00 0.56 0.00 0.00 36.38 34.69 2k54 s VAL 93 CO 0.09 0.50 0.99 -1.81 -0.31 0.00 0.00 175.10 174.57 2k54 s ASP 94 N 1.05 6.45 0.10 4.85 1.11 -1.19 -0.75 116.67 128.28 2k54 s ASP 94 Ca -0.01 -0.01 0.07 0.00 0.18 0.00 0.00 52.55 52.79 2k54 s ASP 94 Cb -0.15 -2.47 -0.04 0.00 1.07 0.00 0.00 42.92 41.33 2k54 s ASP 94 CO -0.04 -1.20 -0.11 -0.69 1.18 0.00 0.00 175.17 174.32 2k54 s VAL 95 N 4.08 3.33 -0.38 -1.27 1.01 -0.07 -0.48 120.40 126.62 2k54 s VAL 95 Ca 0.37 -1.25 -0.03 0.00 0.00 0.00 0.00 61.98 61.06 2k54 s VAL 95 Cb -0.10 -2.54 0.09 0.00 0.00 0.00 0.00 36.38 33.83 2k54 s VAL 95 CO 0.24 0.14 0.16 0.00 0.00 0.00 0.00 175.10 175.63 2k54 s ALA 96 N -1.19 3.08 -0.45 5.51 0.00 -0.27 -1.79 121.76 126.66 2k54 s ALA 96 Ca 0.21 -2.29 -0.19 0.00 0.00 0.00 0.00 51.96 49.68 2k54 s ALA 96 Cb -0.11 -2.31 0.03 0.00 0.00 0.00 0.00 23.12 20.73 2k54 s ALA 96 CO 0.13 -1.64 0.58 0.00 0.00 0.00 0.00 175.76 174.82 2k54 s ILE 98 N 2.58 5.42 0.19 0.00 2.07 -0.06 -1.27 121.20 130.13 2k54 s ILE 98 Ca 0.18 0.26 0.10 0.00 -1.41 0.00 0.00 60.65 59.78 2k54 s ILE 98 Cb -0.16 -3.47 -0.04 0.00 0.13 0.00 0.00 42.46 38.92 2k54 s ILE 98 CO 0.16 0.52 -0.20 -0.31 -1.91 0.00 0.00 174.94 173.20 2k54 s TYR 99 N -0.27 1.99 -0.12 3.50 2.02 -0.09 -0.93 117.35 123.46 2k54 s TYR 99 Ca 0.12 -0.43 -0.00 0.00 -0.37 0.00 0.00 57.07 56.39 2k54 s TYR 99 Cb -0.12 -0.98 0.03 0.00 -0.40 0.00 0.00 41.96 40.49 2k54 s TYR 99 CO 0.02 0.42 -0.08 -2.00 -1.57 0.00 0.00 175.55 172.34 2k54 s GLU 100 N -2.87 1.58 -0.27 -0.62 2.12 0.37 -2.12 118.70 116.89 2k54 s GLU 100 Ca 0.19 -0.31 -0.07 0.00 0.36 0.00 0.00 54.97 55.14 2k54 s GLU 100 Cb -0.06 -1.68 -0.01 0.00 0.26 0.00 0.00 34.13 32.64 2k54 s GLU 100 CO 0.08 -0.28 0.07 0.08 -0.54 0.00 0.00 175.26 174.67 2k54 s VAL 101 N 1.68 4.10 -0.05 3.70 1.01 -0.27 -0.21 120.40 130.36 2k54 s VAL 101 Ca 0.04 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.63 2k54 s VAL 101 Cb -0.13 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.25 2k54 s VAL 101 CO -0.08 0.22 -0.15 -0.70 0.00 0.00 0.00 175.10 174.39 2k54 s GLU 102 N 1.56 1.78 -1.72 2.72 2.12 0.34 -4.73 118.70 120.78 2k54 s GLU 102 Ca 0.05 -0.54 0.00 0.00 0.36 0.00 0.00 54.97 54.84 2k54 s GLU 102 Cb -0.16 -1.50 0.00 0.00 0.26 0.00 0.00 34.13 32.73 2k54 s GLU 102 CO 0.03 0.16 0.00 0.09 -0.54 0.00 0.00 175.26 174.99 2k54 n ASN 103 N 3.40 -5.54 0.00 -1.70 3.02 -1.26 -2.63 115.26 110.55 2k54 n ASN 103 Ca -0.20 0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 2k54 n ASN 103 Cb 0.53 -4.61 0.00 0.00 -0.61 0.00 0.00 39.78 35.09 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 -0.96 1.67 3.36 7.41 0.00 -1.26 -5.03 105.19 110.37 2k54 n GLY 104 Ca -0.23 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.35 1.38 -0.31 1.61 1.81 -1.08 -4.85 118.95 117.16 2k54 s ARG 105 Ca 0.00 -1.27 -0.28 0.00 -1.72 0.00 0.00 55.73 52.45 2k54 s ARG 105 Cb 0.00 -1.78 -0.02 0.00 -0.45 0.00 0.00 34.95 32.69 2k54 s ARG 105 CO 0.00 0.43 1.88 0.42 -0.68 0.00 0.00 175.30 177.35 2k54 s ILE 106 N -1.05 3.38 0.10 1.52 1.01 -0.58 -0.50 121.20 125.08 2k54 s ILE 106 Ca 0.12 0.38 -0.10 0.00 0.00 0.00 0.00 60.65 61.05 2k54 s ILE 106 Cb -0.10 -3.52 -0.21 0.00 0.01 0.00 0.00 42.46 38.64 2k54 s ILE 106 CO 0.05 -0.33 1.24 0.00 0.00 0.00 0.00 174.94 175.90 2k54 h ALA 107 N 13.35 0.23 -2.67 9.38 0.00 -0.84 -0.76 119.26 137.95 2k54 h ALA 107 Ca -0.35 -0.70 -0.13 0.00 0.00 0.00 0.00 54.91 53.74 2k54 h ALA 107 Cb 1.18 0.03 -0.22 0.00 0.00 0.00 0.00 17.79 18.78 2k54 h ALA 107 CO 1.02 0.73 -0.31 0.15 0.00 0.00 0.00 179.25 180.85 2k54 s LYS 108 N -3.32 0.56 -0.08 0.00 1.02 -1.09 -2.13 119.74 114.70 2k54 s LYS 108 Ca -0.08 0.01 -0.07 0.00 0.02 0.00 0.00 55.97 55.84 2k54 s LYS 108 Cb 0.08 0.25 0.02 0.00 -0.52 0.00 0.00 37.83 37.66 2k54 s LYS 108 CO 0.90 -0.13 0.21 0.00 -0.92 0.00 0.00 175.35 175.41 2k54 s ALA 109 N -0.84 -0.52 0.11 5.17 0.00 -0.14 -0.48 121.76 125.06 2k54 s ALA 109 Ca -0.09 0.60 0.04 0.00 0.00 0.00 0.00 51.96 52.52 2k54 s ALA 109 Cb -0.04 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 2k54 s ALA 109 CO 0.03 -0.10 -0.11 -1.58 0.00 0.00 0.00 175.76 173.99 2k54 s TRP 110 N 0.15 1.19 -0.01 0.00 0.51 -0.10 -1.35 118.94 119.32 2k54 s TRP 110 Ca -0.00 -0.64 -0.03 0.00 -2.12 0.00 0.00 56.10 53.30 2k54 s TRP 110 Cb -0.02 -0.63 -0.00 0.00 -0.81 0.00 0.00 33.47 32.01 2k54 s TRP 110 CO 0.00 0.05 0.06 -0.59 -0.51 0.00 0.00 176.95 175.97 2k54 s PHE 111 N -2.48 0.03 -0.09 -1.98 -0.71 -1.11 -0.89 117.98 110.75 2k54 s PHE 111 Ca 0.08 -0.06 0.01 0.00 -1.04 0.00 0.00 56.93 55.91 2k54 s PHE 111 Cb -0.03 -0.05 0.02 0.00 -1.21 0.00 0.00 43.02 41.76 2k54 s PHE 111 CO 0.01 -0.14 -0.10 -1.59 -1.34 0.00 0.00 175.22 172.06 2k54 s LYS 112 N -0.70 1.62 -0.19 1.99 -2.85 -0.71 -1.63 119.74 117.27 2k54 s LYS 112 Ca -0.08 -0.33 -0.21 0.00 -1.00 0.00 0.00 55.97 54.35 2k54 s LYS 112 Cb -0.05 -1.52 -0.02 0.00 -2.06 0.00 0.00 37.83 34.17 2k54 s LYS 112 CO 0.00 -0.14 0.65 0.42 0.10 0.00 0.00 175.35 176.38 2k54 s ILE 113 N 1.26 5.01 0.00 3.79 1.01 -1.26 -1.11 121.20 129.90 2k54 s ILE 113 Ca -0.03 1.24 -0.08 0.00 0.00 0.00 0.00 60.65 61.77 2k54 s ILE 113 Cb -0.14 -3.97 -0.05 0.00 0.01 0.00 0.00 42.46 38.32 2k54 s ILE 113 CO -0.03 0.11 0.83 1.23 0.00 0.00 0.00 174.94 177.08 2k54 h GLY 114 N 8.10 -0.32 -2.65 6.18 0.00 -1.13 -3.49 103.07 109.76 2k54 h GLY 114 Ca -0.32 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.13 2k54 h GLY 114 CO 0.78 -0.12 0.15 -1.83 0.00 0.00 0.00 176.54 175.53 2k54 s GLU 115 N -3.13 1.43 0.14 4.80 -1.05 -1.25 -5.03 118.70 114.61 2k54 s GLU 115 Ca -0.04 -0.72 -0.28 0.00 -0.15 0.00 0.00 54.97 53.78 2k54 s GLU 115 Cb 0.00 0.57 -0.07 0.00 -0.44 0.00 0.00 34.13 34.20 2k54 s GLU 115 CO 0.13 -0.63 0.86 -1.25 0.95 0.00 0.00 175.26 175.33 2k54 s PRO 116 N -3.83 4.65 0.12 -4.83 0.04 -1.26 -3.15 135.00 126.74 2k54 s PRO 116 Ca 0.06 1.29 0.04 0.00 0.04 0.00 0.00 61.00 62.42 2k54 s PRO 116 Cb -0.02 -3.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 2k54 s PRO 116 CO -0.05 0.40 -0.09 1.03 0.04 0.00 0.00 177.00 178.32 2k54 s ARG 117 N -0.59 0.96 -0.00 4.56 0.52 -0.21 -5.01 118.95 119.17 2k54 s ARG 117 Ca 0.41 -1.35 0.01 0.00 -0.52 0.00 0.00 55.73 54.27 2k54 s ARG 117 Cb -0.23 -0.51 -0.00 0.00 0.52 0.00 0.00 34.95 34.72 2k54 s ARG 117 CO 0.28 0.06 -0.02 0.42 0.02 0.00 0.00 175.30 176.06 2k54 s ILE 118 N -3.15 0.15 0.28 1.52 -1.09 -1.26 -1.63 121.20 116.01 2k54 s ILE 118 Ca 0.13 -0.07 -0.04 0.00 -2.23 0.00 0.00 60.65 58.43 2k54 s ILE 118 Cb 0.02 -0.14 0.26 0.00 -1.58 0.00 0.00 42.46 41.02 2k54 s ILE 118 CO -0.01 0.05 1.95 0.58 -1.23 0.00 0.00 174.94 176.28 2k54 h VAL 119 N 5.14 1.23 0.00 2.92 2.07 -1.97 -1.91 116.25 123.74 2k54 h VAL 119 Ca -0.26 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 2k54 h VAL 119 Cb 1.20 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2k54 h VAL 119 CO 0.51 0.23 -0.12 -1.28 0.02 0.00 0.00 177.57 176.93 2k54 h SER 120 N 1.23 0.00 -0.32 0.57 0.87 -1.97 -2.76 113.55 111.17 2k54 h SER 120 Ca 0.33 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 2k54 h SER 120 Cb -0.14 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.82 2k54 h SER 120 CO -0.07 0.12 0.00 0.00 -0.53 0.00 0.00 176.83 176.35 2k54 n GLN 121 N -3.49 2.32 -4.20 2.24 6.02 -0.80 -4.99 117.38 114.48 2k54 n GLN 121 Ca -0.01 -1.95 -0.18 0.00 -0.01 0.00 0.00 57.00 54.85 2k54 n GLN 121 Cb 0.27 -1.31 -0.12 0.00 1.02 0.00 0.00 30.24 30.09 2k54 n GLN 121 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2k54 s LYS 122 N -1.04 0.80 0.00 -1.09 2.20 -0.79 -4.91 119.74 114.92 2k54 s LYS 122 Ca 0.25 -0.88 0.28 0.00 -0.36 0.00 0.00 55.97 55.27 2k54 s LYS 122 Cb 0.14 -0.78 1.70 0.00 -1.51 0.00 0.00 37.83 37.38 2k54 s LYS 122 CO 0.19 0.18 2.04 0.43 -0.36 0.00 0.00 175.35 177.83