#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 -3.48 -0.17 6.12 4.13 -1.26 -4.89 115.26 115.71 2k54 n ASN 2 Ca 0.00 -0.72 -0.08 0.00 1.68 0.00 0.00 54.58 55.46 2k54 n ASN 2 Cb 0.00 -4.79 0.06 0.00 -1.54 0.00 0.00 39.78 33.51 2k54 n ASN 2 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 2k54 h SER 3 N -1.65 0.96 0.51 6.41 0.02 -1.99 -1.78 113.55 116.03 2k54 h SER 3 Ca -0.61 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.06 2k54 h SER 3 Cb 1.34 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.62 2k54 h SER 3 CO 0.49 1.04 0.00 -1.84 -1.14 0.00 0.00 176.83 175.39 2k54 n GLU 4 N -4.17 0.09 -0.10 3.45 0.28 -1.26 -2.09 120.64 116.84 2k54 n GLU 4 Ca 0.02 0.38 -0.18 0.00 -0.16 0.00 0.00 57.16 57.22 2k54 n GLU 4 Cb 0.36 -1.70 -0.13 0.00 1.43 0.00 0.00 31.44 31.40 2k54 n GLU 4 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 2k54 n ILE 5 N -1.88 1.54 -0.20 3.84 2.08 -0.94 -4.46 119.36 119.34 2k54 n ILE 5 Ca 0.02 -0.61 -0.05 0.00 0.56 0.00 0.00 62.75 62.67 2k54 n ILE 5 Cb 0.17 -1.41 0.05 0.00 -0.75 0.00 0.00 39.64 37.70 2k54 n ILE 5 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 2k54 h GLU 6 N 0.01 0.68 0.63 0.38 4.39 -0.99 -3.23 114.58 116.46 2k54 h GLU 6 Ca -0.54 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.08 2k54 h GLU 6 Cb 1.95 -0.15 0.01 0.00 -0.10 0.00 0.00 28.75 30.45 2k54 h GLU 6 CO -0.05 0.45 -0.30 -0.07 -1.16 0.00 0.00 179.01 177.88 2k54 h LEU 7 N 0.70 -0.72 -0.20 1.33 3.38 -1.65 -2.06 115.31 116.10 2k54 h LEU 7 Ca 0.23 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.21 2k54 h LEU 7 Cb 0.00 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2k54 h LEU 7 CO -0.09 -0.43 0.06 1.55 0.09 0.00 0.00 178.44 179.62 2k54 h PRO 8 N -0.98 0.15 -0.61 1.13 0.13 -1.78 -2.22 132.00 127.81 2k54 h PRO 8 Ca -0.09 -0.01 0.02 0.00 -0.87 0.00 0.00 66.00 65.05 2k54 h PRO 8 Cb 0.69 -0.03 -0.04 0.00 0.13 0.00 0.00 31.00 31.75 2k54 h PRO 8 CO 0.14 0.10 0.39 0.28 -0.23 0.00 0.00 178.00 178.68 2k54 h VAL 9 N 0.15 1.11 -0.16 1.56 2.07 -1.59 0.56 116.25 119.97 2k54 h VAL 9 Ca 0.09 -0.27 -0.06 0.00 0.82 0.00 0.00 66.70 67.28 2k54 h VAL 9 Cb 0.06 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.09 2k54 h VAL 9 CO -0.10 0.14 -0.15 -0.61 0.02 0.00 0.00 177.57 176.88 2k54 h GLN 10 N 0.78 0.38 0.00 1.57 -0.00 -1.31 -3.07 115.11 113.46 2k54 h GLN 10 Ca 0.24 -0.19 -0.03 0.00 -0.00 0.00 0.00 58.65 58.67 2k54 h GLN 10 Cb -0.03 0.01 -0.00 0.00 0.00 0.00 0.00 27.48 27.45 2k54 h GLN 10 CO -0.08 0.75 -0.13 0.87 0.00 0.00 0.00 178.83 180.24 2k54 h LYS 11 N 0.02 0.00 -0.31 1.69 1.79 -1.07 -2.03 116.57 116.66 2k54 h LYS 11 Ca 0.03 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.48 2k54 h LYS 11 Cb 0.67 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.31 2k54 h LYS 11 CO 0.04 0.13 0.12 1.96 -1.08 0.00 0.00 179.45 180.62 2k54 h GLN 12 N 0.00 0.46 0.36 3.15 4.20 -0.80 -1.83 115.11 120.65 2k54 h GLN 12 Ca -0.00 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 2k54 h GLN 12 Cb 0.27 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.98 2k54 h GLN 12 CO 0.02 0.47 -0.17 1.25 -0.67 0.00 0.00 178.83 179.72 2k54 h LEU 13 N 0.35 -0.41 -1.37 1.46 7.12 -1.32 0.16 115.31 121.31 2k54 h LEU 13 Ca 0.10 -0.02 0.19 0.00 0.13 0.00 0.00 57.88 58.28 2k54 h LEU 13 Cb 0.18 0.11 -0.08 0.00 -0.53 0.00 0.00 40.66 40.34 2k54 h LEU 13 CO -0.01 -0.25 0.60 -0.33 -0.13 0.00 0.00 178.44 178.32 2k54 h GLU 14 N -0.54 0.52 0.00 1.25 4.39 -1.42 -0.05 114.58 118.72 2k54 h GLU 14 Ca -0.05 -0.03 -0.18 0.00 0.34 0.00 0.00 59.36 59.44 2k54 h GLU 14 Cb 0.41 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.92 2k54 h GLU 14 CO 0.08 0.34 -0.93 0.00 -1.16 0.00 0.00 179.01 177.34 2k54 h ALA 15 N 1.61 0.52 -0.06 3.43 0.00 -1.05 -3.21 119.26 120.51 2k54 h ALA 15 Ca 0.49 -0.80 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 2k54 h ALA 15 Cb 1.04 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 2k54 h ALA 15 CO -0.22 1.04 -0.06 -0.92 0.00 0.00 0.00 179.25 179.09 2k54 h TYR 16 N 0.00 0.18 0.00 0.00 3.20 0.13 0.53 116.97 121.01 2k54 h TYR 16 Ca -0.05 -0.05 -0.15 0.00 3.14 0.00 0.00 58.73 61.62 2k54 h TYR 16 Cb 1.65 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.86 2k54 h TYR 16 CO 0.00 0.59 -0.72 -2.95 -1.64 0.00 0.00 178.16 173.44 2k54 h ASN 17 N -0.28 0.00 -0.06 -2.11 7.08 -1.68 -3.18 115.58 115.35 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 0.56 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.80 2k54 h ASN 17 CO 0.01 0.72 0.00 0.00 -2.08 0.00 0.00 177.43 176.09 2k54 n ALA 18 N -2.36 2.55 -1.33 4.14 0.00 -1.19 -4.94 120.51 117.38 2k54 n ALA 18 Ca -0.00 -0.48 -0.11 0.00 0.00 0.00 0.00 53.44 52.84 2k54 n ALA 18 Cb 0.74 -1.13 -0.05 0.00 0.00 0.00 0.00 19.45 19.01 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 0.28 -0.94 -2.88 0.00 5.12 -0.27 -4.96 116.66 113.00 2k54 n ARG 19 Ca 0.18 0.88 -0.43 0.00 -1.93 0.00 0.00 57.85 56.55 2k54 n ARG 19 Cb 0.36 -4.91 -0.03 0.00 -1.16 0.00 0.00 32.46 26.72 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 6.38 0.43 0.55 1.01 0.02 -4.85 116.67 117.45 2k54 s ASP 20 Ca 0.00 -1.48 0.20 0.00 0.71 0.00 0.00 52.55 51.98 2k54 s ASP 20 Cb 0.00 -2.41 0.99 0.00 1.01 0.00 0.00 42.92 42.51 2k54 s ASP 20 CO 0.00 -1.27 1.90 0.40 0.21 0.00 0.00 175.17 176.40 2k54 h ILE 21 N 5.95 0.88 -0.48 0.77 1.08 -1.93 -2.42 117.51 121.36 2k54 h ILE 21 Ca -0.08 -1.04 0.09 0.00 -0.39 0.00 0.00 64.86 63.45 2k54 h ILE 21 Cb 1.05 1.62 -0.08 0.00 -3.07 0.00 0.00 36.82 36.34 2k54 h ILE 21 CO 1.16 0.26 0.02 0.44 -0.69 0.00 0.00 178.15 179.34 2k54 h ASP 22 N 0.00 -0.16 0.59 1.72 3.32 -1.96 0.24 116.42 120.17 2k54 h ASP 22 Ca -0.00 0.11 -0.28 0.00 0.02 0.00 0.00 57.03 56.87 2k54 h ASP 22 Cb 0.59 0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.33 2k54 h ASP 22 CO 0.03 -0.05 -1.33 0.00 -1.72 0.00 0.00 179.24 176.18 2k54 h ALA 23 N 1.42 0.16 0.00 3.45 0.00 -1.93 -1.64 119.26 120.72 2k54 h ALA 23 Ca 0.24 -0.96 0.00 0.00 0.00 0.00 0.00 54.91 54.19 2k54 h ALA 23 Cb 0.35 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2k54 h ALA 23 CO -0.38 1.04 0.00 0.34 0.00 0.00 0.00 179.25 180.24 2k54 n PHE 24 N -3.50 0.00 0.00 0.00 7.35 -0.91 -2.79 117.46 117.61 2k54 n PHE 24 Ca -0.11 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.58 2k54 n PHE 24 Cb 1.03 -0.29 0.00 0.00 0.35 0.00 0.00 39.48 40.57 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 -1.29 2.27 -0.24 -4.13 1.56 0.80 -4.86 117.12 111.23 2k54 n MET 25 Ca 0.08 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.51 2k54 n MET 25 Cb 0.14 -0.97 0.12 0.00 2.15 0.00 0.00 33.22 34.65 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 0.93 -0.00 -5.12 0.00 -1.12 -2.34 119.26 111.61 2k54 h ALA 26 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2k54 h ALA 26 Cb 0.53 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2k54 h ALA 26 CO 0.00 -0.04 -0.05 0.91 0.00 0.00 0.00 179.25 180.07 2k54 n TRP 27 N -4.86 0.00 -3.44 0.00 7.02 -1.25 -4.87 117.44 110.04 2k54 n TRP 27 Ca 0.10 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.26 2k54 n TRP 27 Cb 0.25 -0.16 -0.05 0.00 -2.42 0.00 0.00 31.31 28.92 2k54 n TRP 27 CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 2k54 s TRP 28 N -2.38 3.46 0.54 -5.99 0.52 -0.88 -1.71 118.94 112.50 2k54 s TRP 28 Ca 0.33 0.86 -0.18 0.00 0.02 0.00 0.00 56.10 57.13 2k54 s TRP 28 Cb 0.21 -2.24 -0.06 0.00 -1.15 0.00 0.00 33.47 30.22 2k54 s TRP 28 CO 0.44 0.32 1.06 0.00 0.02 0.00 0.00 176.95 178.78 2k54 s ALA 29 N -1.74 2.79 0.28 0.98 0.00 -0.45 -4.70 121.76 118.91 2k54 s ALA 29 Ca 0.45 0.53 0.27 0.00 0.00 0.00 0.00 51.96 53.21 2k54 s ALA 29 Cb -0.12 -3.25 1.25 0.00 0.00 0.00 0.00 23.12 20.99 2k54 s ALA 29 CO 0.21 -0.60 1.97 0.22 0.00 0.00 0.00 175.76 177.56 2k54 h ASP 30 N 0.98 0.00 -0.54 0.00 3.58 -1.97 -2.23 116.42 116.25 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 1.22 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.27 2k54 h ASP 30 CO 0.58 0.16 0.00 0.47 -2.88 0.00 0.00 179.24 177.57 2k54 n ASP 31 N -3.47 5.18 -4.68 2.28 8.00 -1.26 -1.99 116.55 120.61 2k54 n ASP 31 Ca -0.01 -2.82 -0.42 0.00 0.71 0.00 0.00 54.79 52.25 2k54 n ASP 31 Cb 0.32 -0.63 -0.03 0.00 -0.02 0.00 0.00 41.12 40.76 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 3.28 3.87 -0.11 0.00 -1.52 -0.70 -0.74 119.66 123.74 2k54 s GLN 33 Ca 0.76 0.72 -0.04 0.00 -1.95 0.00 0.00 55.36 54.85 2k54 s GLN 33 Cb -0.39 -2.27 0.06 0.00 -0.22 0.00 0.00 33.01 30.19 2k54 s GLN 33 CO 0.33 -0.14 0.23 -0.47 -0.25 0.00 0.00 175.29 174.98 2k54 s TYR 34 N -2.48 -0.34 0.18 0.91 5.04 0.56 -0.72 117.35 120.50 2k54 s TYR 34 Ca 0.55 0.84 0.11 0.00 -2.44 0.00 0.00 57.07 56.13 2k54 s TYR 34 Cb -0.10 -0.11 -0.04 0.00 0.35 0.00 0.00 41.96 42.06 2k54 s TYR 34 CO 0.31 -0.32 -0.23 0.71 -1.34 0.00 0.00 175.55 174.68 2k54 s TYR 35 N 2.30 2.19 0.27 4.97 1.51 -0.49 -0.53 117.35 127.57 2k54 s TYR 35 Ca 0.01 -0.38 0.12 0.00 -1.01 0.00 0.00 57.07 55.81 2k54 s TYR 35 Cb -0.12 -1.10 -0.05 0.00 -0.11 0.00 0.00 41.96 40.59 2k54 s TYR 35 CO -0.08 0.44 -0.20 0.00 -1.11 0.00 0.00 175.55 174.61 2k54 s ALA 36 N -1.68 2.69 0.20 3.71 0.00 -0.40 -2.69 121.76 123.60 2k54 s ALA 36 Ca 0.19 -1.86 -0.32 0.00 0.00 0.00 0.00 51.96 49.97 2k54 s ALA 36 Cb -0.08 -0.25 -0.11 0.00 0.00 0.00 0.00 23.12 22.68 2k54 s ALA 36 CO 0.09 0.27 1.63 0.12 0.00 0.00 0.00 175.76 177.86 2k54 s PHE 37 N -2.52 2.97 -0.05 0.00 5.36 -0.85 -1.53 117.98 121.37 2k54 s PHE 37 Ca 0.29 0.55 -0.24 0.00 -0.96 0.00 0.00 56.93 56.57 2k54 s PHE 37 Cb -0.05 -4.02 -0.23 0.00 -0.34 0.00 0.00 43.02 38.38 2k54 s PHE 37 CO 0.14 -3.76 1.04 -1.00 -1.46 0.00 0.00 175.22 170.18 2k54 h PRO 38 N 6.54 0.18 -0.87 10.12 0.13 -2.00 -3.45 132.00 142.66 2k54 h PRO 38 Ca -0.43 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 2k54 h PRO 38 Cb 1.20 0.05 -0.19 0.00 0.13 0.00 0.00 31.00 32.19 2k54 h PRO 38 CO 0.91 0.92 -0.37 0.00 -0.23 0.00 0.00 178.00 179.24 2k54 s ALA 39 N -3.15 -2.72 -0.11 -0.56 0.00 -0.58 -5.04 121.76 109.60 2k54 s ALA 39 Ca -0.16 0.64 -0.03 0.00 0.00 0.00 0.00 51.96 52.41 2k54 s ALA 39 Cb 0.01 -2.72 0.05 0.00 0.00 0.00 0.00 23.12 20.46 2k54 s ALA 39 CO 0.74 -2.14 0.11 0.99 0.00 0.00 0.00 175.76 175.47 2k54 s THR 40 N 2.20 -0.16 -0.58 0.00 2.01 -0.84 -4.93 115.64 113.34 2k54 s THR 40 Ca 0.15 0.17 -0.27 0.00 0.31 0.00 0.00 61.69 62.05 2k54 s THR 40 Cb -0.05 -0.37 -0.01 0.00 0.01 0.00 0.00 72.50 72.08 2k54 s THR 40 CO -0.14 -0.01 1.78 -0.22 -0.69 0.00 0.00 174.62 175.33 2k54 s LEU 41 N 2.21 3.32 0.04 4.42 0.20 -1.26 -1.27 118.68 126.33 2k54 s LEU 41 Ca 0.04 0.41 -0.11 0.00 0.69 0.00 0.00 54.13 55.16 2k54 s LEU 41 Cb -0.14 -2.70 -0.32 0.00 -0.43 0.00 0.00 46.19 42.60 2k54 s LEU 41 CO -0.06 -2.20 1.02 -0.07 -0.29 0.00 0.00 176.35 174.74 2k54 h LEU 42 N 15.58 0.65 -7.20 -0.68 3.38 -1.16 -3.47 115.31 122.42 2k54 h LEU 42 Ca -0.27 -0.72 -0.18 0.00 0.09 0.00 0.00 57.88 56.79 2k54 h LEU 42 Cb 1.15 -0.21 -0.31 0.00 0.09 0.00 0.00 40.66 41.38 2k54 h LEU 42 CO 1.20 1.57 -0.48 0.00 0.09 0.00 0.00 178.44 180.82 2k54 s ALA 43 N -2.62 -0.71 -0.56 1.53 0.00 -1.08 -4.94 121.76 113.38 2k54 s ALA 43 Ca -0.08 1.09 0.01 0.00 0.00 0.00 0.00 51.96 52.98 2k54 s ALA 43 Cb 0.05 -1.05 0.46 0.00 0.00 0.00 0.00 23.12 22.58 2k54 s ALA 43 CO 0.91 -0.62 1.81 0.41 0.00 0.00 0.00 175.76 178.28 2k54 n GLY 44 N 5.22 5.96 0.00 0.00 0.00 -1.26 -0.32 105.19 114.79 2k54 n GLY 44 Ca -0.09 -2.35 0.00 0.00 0.00 0.00 0.00 46.02 43.58 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 -0.88 0.00 -0.08 1.61 0.23 0.08 -4.73 115.26 111.50 2k54 n ASN 45 Ca 0.57 0.00 -0.05 0.00 -0.53 0.00 0.00 54.58 54.57 2k54 n ASN 45 Cb 0.77 0.00 0.14 0.00 -2.08 0.00 0.00 39.78 38.61 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 1.02 -0.38 -2.53 0.00 -1.50 -3.20 119.26 112.67 2k54 h ALA 46 Ca 0.00 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.62 2k54 h ALA 46 Cb 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2k54 h ALA 46 CO 0.00 0.59 0.19 0.00 0.00 0.00 0.00 179.25 180.03 2k54 h ALA 47 N 1.20 0.47 0.00 0.00 0.00 -1.91 -1.06 119.26 117.95 2k54 h ALA 47 Ca 0.11 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 2k54 h ALA 47 Cb 0.60 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2k54 h ALA 47 CO 0.04 -0.17 -0.64 0.93 0.00 0.00 0.00 179.25 179.40 2k54 h GLU 48 N 0.39 0.00 -0.30 0.00 5.08 -1.96 -2.43 114.58 115.36 2k54 h GLU 48 Ca 0.16 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.45 2k54 h GLU 48 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2k54 h GLU 48 CO -0.11 0.64 -0.07 0.82 -1.00 0.00 0.00 179.01 179.29 2k54 h ILE 49 N 0.00 1.28 0.61 3.13 2.04 -1.47 -3.01 117.51 120.09 2k54 h ILE 49 Ca -0.01 -1.11 -0.03 0.00 1.00 0.00 0.00 64.86 64.71 2k54 h ILE 49 Cb 1.14 1.39 0.00 0.00 -0.74 0.00 0.00 36.82 38.61 2k54 h ILE 49 CO 0.08 0.36 -0.30 -0.09 0.00 0.00 0.00 178.15 178.20 2k54 h ARG 50 N 0.35 -0.80 -0.76 2.37 2.43 -1.03 -2.50 114.38 114.44 2k54 h ARG 50 Ca 0.08 0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 2k54 h ARG 50 Cb 0.56 0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 30.26 2k54 h ARG 50 CO 0.03 -0.53 0.42 -0.39 -1.51 0.00 0.00 179.97 177.99 2k54 h VAL 51 N -0.83 1.23 0.00 0.20 -1.51 -1.53 -1.12 116.25 112.68 2k54 h VAL 51 Ca -0.08 -0.57 -0.12 0.00 -1.23 0.00 0.00 66.70 64.70 2k54 h VAL 51 Cb 0.64 0.21 -0.02 0.00 -2.13 0.00 0.00 31.29 30.00 2k54 h VAL 51 CO 0.13 0.26 -0.56 -0.09 -1.23 0.00 0.00 177.57 176.08 2k54 h ARG 52 N 1.06 0.00 0.01 5.19 2.43 -1.54 -2.56 114.38 118.96 2k54 h ARG 52 Ca 0.27 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 59.24 2k54 h ARG 52 Cb 0.03 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 2k54 h ARG 52 CO -0.04 0.56 -0.93 0.45 -1.51 0.00 0.00 179.97 178.50 2k54 h HIS 53 N 0.00 0.08 -0.88 2.20 3.86 -0.99 -2.87 115.15 116.55 2k54 h HIS 53 Ca -0.01 -0.05 0.01 0.00 -1.16 0.00 0.00 60.37 59.17 2k54 h HIS 53 Cb 1.04 -0.01 -0.05 0.00 1.06 0.00 0.00 27.41 29.46 2k54 h HIS 53 CO 0.00 0.95 0.58 0.82 0.86 0.00 0.00 177.93 181.14 2k54 h ILE 54 N 0.02 1.21 -0.74 2.45 2.04 -0.86 0.88 117.51 122.52 2k54 h ILE 54 Ca -0.02 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.41 2k54 h ILE 54 Cb 1.62 -0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 2k54 h ILE 54 CO 0.13 0.21 0.37 -0.33 0.00 0.00 0.00 178.15 178.53 2k54 h GLU 55 N 1.18 1.05 0.00 2.37 5.08 -1.48 -2.74 114.58 120.04 2k54 h GLU 55 Ca 0.33 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.49 2k54 h GLU 55 Cb -0.11 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 28.94 2k54 h GLU 55 CO -0.08 0.80 -0.31 -0.09 -1.00 0.00 0.00 179.01 178.32 2k54 h ARG 56 N 1.05 0.00 -0.02 2.33 9.65 -1.15 -2.95 114.38 123.30 2k54 h ARG 56 Ca 0.26 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.14 2k54 h ARG 56 Cb 0.08 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.66 2k54 h ARG 56 CO -0.04 0.31 0.00 1.19 2.80 0.00 0.00 179.97 184.24 2k54 n PHE 57 N -3.21 0.01 0.22 2.20 3.01 0.24 -3.08 117.46 116.86 2k54 n PHE 57 Ca 0.02 -0.01 0.11 0.00 1.01 0.00 0.00 57.45 58.59 2k54 n PHE 57 Cb 0.63 0.00 0.17 0.00 -0.01 0.00 0.00 39.48 40.27 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 0.97 0.00 -6.19 -1.08 1.79 -1.33 -3.45 116.57 107.28 2k54 h LYS 58 Ca 0.00 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.90 2k54 h LYS 58 Cb 0.21 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 2k54 h LYS 58 CO 0.00 0.04 1.31 -1.21 -1.08 0.00 0.00 179.45 178.50 2k54 s GLU 59 N -3.20 3.51 0.50 3.15 0.41 -1.18 -4.88 118.70 117.02 2k54 s GLU 59 Ca 0.07 1.89 0.34 0.00 -0.41 0.00 0.00 54.97 56.85 2k54 s GLU 59 Cb 0.05 -4.21 1.61 0.00 -1.78 0.00 0.00 34.13 29.80 2k54 s GLU 59 CO 0.67 -1.66 2.01 -1.00 -0.49 0.00 0.00 175.26 174.80 2k54 h PRO 60 N 12.73 0.00 -0.22 0.39 0.13 -1.92 -2.24 132.00 140.87 2k54 h PRO 60 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2k54 h PRO 60 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2k54 h PRO 60 CO 0.98 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.50 2k54 n ASP 61 N -2.82 3.12 -4.64 1.44 9.92 -1.26 -4.94 116.55 117.37 2k54 n ASP 61 Ca -0.01 -1.96 -0.43 0.00 -0.53 0.00 0.00 54.79 51.86 2k54 n ASP 61 Cb 0.18 -0.14 -0.03 0.00 -0.64 0.00 0.00 41.12 40.50 2k54 n ASP 61 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2k54 s LEU 62 N -1.71 4.01 -0.13 0.64 2.96 -0.85 -4.43 118.68 119.17 2k54 s LEU 62 Ca 0.34 1.96 -0.04 0.00 -0.22 0.00 0.00 54.13 56.17 2k54 s LEU 62 Cb 0.21 -3.53 0.06 0.00 0.50 0.00 0.00 46.19 43.44 2k54 s LEU 62 CO 0.31 -1.25 0.21 -0.47 -1.32 0.00 0.00 176.35 173.83 2k54 s TYR 63 N 5.27 -0.29 -0.55 5.38 5.04 -1.25 -4.99 117.35 125.97 2k54 s TYR 63 Ca 0.79 0.66 -0.20 0.00 -2.44 0.00 0.00 57.07 55.88 2k54 s TYR 63 Cb -0.31 -0.20 0.07 0.00 0.35 0.00 0.00 41.96 41.87 2k54 s TYR 63 CO 0.32 -0.37 0.69 0.20 -1.34 0.00 0.00 175.55 175.05 2k54 s GLY 64 N 2.35 1.72 -0.63 8.97 0.00 -1.26 -1.46 107.32 117.00 2k54 s GLY 64 Ca 0.03 -1.86 -0.18 0.00 0.00 0.00 0.00 44.72 42.71 2k54 s GLY 64 CO -0.08 1.58 0.69 1.85 0.00 0.00 0.00 173.10 177.14 2k54 s GLU 65 N 2.83 3.13 -0.13 2.90 2.12 -1.12 -4.87 118.70 123.57 2k54 s GLU 65 Ca 0.15 -1.59 -0.23 0.00 0.36 0.00 0.00 54.97 53.66 2k54 s GLU 65 Cb -0.20 -4.34 -0.03 0.00 0.26 0.00 0.00 34.13 29.82 2k54 s GLU 65 CO 0.11 -1.47 0.72 -1.17 -0.54 0.00 0.00 175.26 172.90 2k54 s LEU 66 N 2.09 4.23 -0.06 2.70 0.20 -1.26 -1.06 118.68 125.52 2k54 s LEU 66 Ca 0.11 1.09 0.05 0.00 0.69 0.00 0.00 54.13 56.07 2k54 s LEU 66 Cb -0.23 -3.07 -0.07 0.00 -0.43 0.00 0.00 46.19 42.39 2k54 s LEU 66 CO 0.02 -0.24 0.02 0.00 -0.29 0.00 0.00 176.35 175.87 2k54 n LEU 67 N 4.52 0.05 -3.68 -0.68 -0.00 -1.05 -5.01 117.00 111.16 2k54 n LEU 67 Ca 0.00 -0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.91 2k54 n LEU 67 Cb 0.50 0.14 -0.09 0.00 -0.00 0.00 0.00 43.42 43.97 2k54 n LEU 67 CO 0.46 0.15 0.20 -0.89 -0.00 0.00 0.00 177.39 177.31 2k54 s THR 68 N -2.14 -0.01 -0.03 1.47 2.01 -1.20 -5.09 115.64 110.65 2k54 s THR 68 Ca -0.03 0.04 0.02 0.00 0.31 0.00 0.00 61.69 62.03 2k54 s THR 68 Cb 0.02 -0.77 0.01 0.00 0.01 0.00 0.00 72.50 71.76 2k54 s THR 68 CO 0.23 0.02 -0.08 0.00 -0.69 0.00 0.00 174.62 174.10 2k54 s ARG 69 N 1.16 0.97 -0.19 4.92 1.70 -1.26 -1.02 118.95 125.23 2k54 s ARG 69 Ca -0.07 -0.28 0.00 0.00 -0.47 0.00 0.00 55.73 54.92 2k54 s ARG 69 Cb -0.06 -0.90 0.02 0.00 -0.57 0.00 0.00 34.95 33.43 2k54 s ARG 69 CO -0.11 0.08 -0.18 0.14 -1.08 0.00 0.00 175.30 174.15 2k54 s VAL 70 N 0.32 2.24 -0.16 4.99 -7.23 -0.71 -4.97 120.40 114.88 2k54 s VAL 70 Ca -0.05 -0.89 -0.15 0.00 -1.81 0.00 0.00 61.98 59.08 2k54 s VAL 70 Cb -0.10 -1.96 -0.04 0.00 0.56 0.00 0.00 36.38 34.84 2k54 s VAL 70 CO 0.01 0.51 0.33 -0.51 -0.31 0.00 0.00 175.10 175.13 2k54 s ILE 71 N 1.31 5.28 -0.31 -0.62 2.07 -1.26 -1.30 121.20 126.36 2k54 s ILE 71 Ca 0.05 0.63 -0.02 0.00 -1.41 0.00 0.00 60.65 59.90 2k54 s ILE 71 Cb -0.13 -3.67 0.12 0.00 0.13 0.00 0.00 42.46 38.90 2k54 s ILE 71 CO -0.12 0.36 0.18 0.54 -1.91 0.00 0.00 174.94 174.00 2k54 s VAL 72 N 0.61 -0.05 0.00 4.00 0.11 -0.27 -5.02 120.40 119.78 2k54 s VAL 72 Ca 0.18 -1.04 0.00 0.00 -2.93 0.00 0.00 61.98 58.19 2k54 s VAL 72 Cb -0.14 -1.01 0.00 0.00 -1.53 0.00 0.00 36.38 33.71 2k54 s VAL 72 CO 0.05 -0.78 0.00 0.61 -3.33 0.00 0.00 175.10 171.65 2k54 n GLY 73 N 4.83 2.88 0.19 6.54 0.00 -1.26 -2.55 105.19 115.81 2k54 n GLY 73 Ca 0.01 -0.22 0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 6.24 0.57 -4.12 1.61 6.94 -1.26 -4.84 115.26 120.40 2k54 n ASN 74 Ca 0.00 -1.46 -0.26 0.00 -0.02 0.00 0.00 54.58 52.84 2k54 n ASN 74 Cb 0.00 -0.03 -0.16 0.00 -2.36 0.00 0.00 39.78 37.23 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 -1.94 1.38 -0.01 3.53 1.01 -1.06 -0.99 120.40 122.32 2k54 s VAL 75 Ca 0.32 -0.69 0.06 0.00 0.00 0.00 0.00 61.98 61.68 2k54 s VAL 75 Cb 0.16 -1.19 -0.02 0.00 0.00 0.00 0.00 36.38 35.33 2k54 s VAL 75 CO 0.25 0.40 -0.21 -0.69 0.00 0.00 0.00 175.10 174.86 2k54 s VAL 76 N 0.09 1.63 -0.50 2.92 1.01 -0.97 -1.11 120.40 123.46 2k54 s VAL 76 Ca -0.05 -0.92 -0.16 0.00 0.00 0.00 0.00 61.98 60.85 2k54 s VAL 76 Cb -0.12 -1.36 0.09 0.00 0.00 0.00 0.00 36.38 34.99 2k54 s VAL 76 CO 0.02 0.43 0.46 -0.63 0.00 0.00 0.00 175.10 175.39 2k54 s ILE 77 N -0.52 5.18 -0.55 2.22 -1.09 -0.42 -1.97 121.20 124.05 2k54 s ILE 77 Ca 0.08 -1.16 -0.22 0.00 -2.23 0.00 0.00 60.65 57.13 2k54 s ILE 77 Cb -0.08 -4.23 0.06 0.00 -1.58 0.00 0.00 42.46 36.63 2k54 s ILE 77 CO -0.00 -0.72 0.80 -1.81 -1.23 0.00 0.00 174.94 171.97 2k54 s ASP 78 N 2.99 6.26 -0.44 3.58 1.01 -0.25 -1.73 116.67 128.08 2k54 s ASP 78 Ca 0.05 -0.73 -0.16 0.00 0.71 0.00 0.00 52.55 52.42 2k54 s ASP 78 Cb -0.26 -2.36 0.04 0.00 1.01 0.00 0.00 42.92 41.35 2k54 s ASP 78 CO 0.06 -1.10 0.41 -2.28 0.21 0.00 0.00 175.17 172.47 2k54 s HIS 79 N 3.33 3.19 0.16 4.23 5.65 -0.19 -0.72 115.29 130.94 2k54 s HIS 79 Ca 0.22 -0.58 0.10 0.00 0.25 0.00 0.00 55.06 55.05 2k54 s HIS 79 Cb -0.17 -2.95 -0.04 0.00 -1.18 0.00 0.00 32.58 28.24 2k54 s HIS 79 CO 0.14 -0.73 -0.19 -1.21 -0.65 0.00 0.00 174.74 172.10 2k54 s GLU 80 N 1.96 1.72 -0.49 2.88 2.02 -0.83 -2.52 118.70 123.45 2k54 s GLU 80 Ca 0.09 -1.33 -0.13 0.00 0.02 0.00 0.00 54.97 53.62 2k54 s GLU 80 Cb -0.19 -2.02 0.11 0.00 0.10 0.00 0.00 34.13 32.12 2k54 s GLU 80 CO 0.11 0.44 0.39 0.99 0.02 0.00 0.00 175.26 177.21 2k54 s THR 81 N -1.42 4.75 -0.15 3.63 2.01 -0.23 -1.45 115.64 122.78 2k54 s THR 81 Ca 0.20 -1.48 -0.18 0.00 0.31 0.00 0.00 61.69 60.54 2k54 s THR 81 Cb -0.09 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 2k54 s THR 81 CO 0.11 -0.72 0.48 0.68 -0.69 0.00 0.00 174.62 174.48 2k54 s VAL 82 N 1.51 5.16 -0.16 3.82 -7.23 -0.61 -2.79 120.40 120.10 2k54 s VAL 82 Ca 0.04 0.94 -0.29 0.00 -1.81 0.00 0.00 61.98 60.85 2k54 s VAL 82 Cb -0.27 -3.82 -0.01 0.00 0.56 0.00 0.00 36.38 32.84 2k54 s VAL 82 CO 0.02 0.27 1.24 -0.89 -0.31 0.00 0.00 175.10 175.43 2k54 s THR 83 N 1.00 4.32 0.00 5.32 2.01 -0.54 -1.44 115.64 126.30 2k54 s THR 83 Ca 0.25 1.60 0.00 0.00 0.31 0.00 0.00 61.69 63.84 2k54 s THR 83 Cb -0.15 -4.03 0.00 0.00 0.01 0.00 0.00 72.50 68.33 2k54 s THR 83 CO 0.10 -0.13 0.00 0.54 -0.69 0.00 0.00 174.62 174.44 2k54 n ARG 84 N 6.45 2.46 -3.89 4.92 1.74 -0.53 -3.79 116.66 124.04 2k54 n ARG 84 Ca 0.13 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.92 2k54 n ARG 84 Cb 0.45 0.00 -0.16 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 0.30 3.68 -0.00 0.55 0.02 -1.25 -3.86 114.94 114.37 2k54 s ASN 85 Ca 0.00 -1.15 0.02 0.00 -1.02 0.00 0.00 52.86 50.71 2k54 s ASN 85 Cb 0.00 -1.05 -0.04 0.00 0.02 0.00 0.00 41.25 40.19 2k54 s ASN 85 CO 0.00 -0.26 -0.01 -0.36 0.02 0.00 0.00 177.10 176.49 2k54 s PHE 86 N 1.50 3.05 -1.25 2.20 0.08 -1.10 -4.91 117.98 117.55 2k54 s PHE 86 Ca -0.04 0.06 0.19 0.00 0.12 0.00 0.00 56.93 57.26 2k54 s PHE 86 Cb -0.18 -1.66 0.88 0.00 -0.57 0.00 0.00 43.02 41.49 2k54 s PHE 86 CO -0.08 0.45 1.59 -0.35 -0.10 0.00 0.00 175.22 176.73 2k54 n PRO 87 N 1.42 0.16 0.16 0.24 -0.04 -1.26 -2.49 135.00 133.20 2k54 n PRO 87 Ca -0.15 0.14 0.10 0.00 -0.04 0.00 0.00 63.50 63.56 2k54 n PRO 87 Cb 0.53 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.57 2k54 n PRO 87 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2k54 h GLU 88 N 0.00 0.00 0.00 0.54 4.11 -2.03 -3.50 114.58 113.70 2k54 h GLU 88 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2k54 h GLU 88 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2k54 h GLU 88 CO 0.00 0.06 0.00 0.41 0.07 0.00 0.00 179.01 179.55 2k54 n GLY 89 N 1.16 -0.38 0.00 1.06 0.00 -1.04 -4.99 105.19 101.00 2k54 n GLY 89 Ca 0.02 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 -4.35 118.16 117.16 2k54 n LYS 90 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 2k54 n LYS 90 Cb 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 35.03 34.06 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 -0.48 1.96 3.84 3.14 0.00 -1.25 -2.70 105.19 109.70 2k54 n GLY 91 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2k54 n GLY 91 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k54 s GLU 92 N -0.03 4.02 -0.01 1.61 -1.05 -1.02 -1.45 118.70 120.77 2k54 s GLU 92 Ca 0.00 0.61 0.00 0.00 -0.15 0.00 0.00 54.97 55.44 2k54 s GLU 92 Cb 0.00 -2.68 0.01 0.00 -0.44 0.00 0.00 34.13 31.03 2k54 s GLU 92 CO 0.00 0.31 -0.00 0.14 0.95 0.00 0.00 175.26 176.65 2k54 s VAL 93 N -1.74 0.12 -0.42 1.83 -7.23 -0.52 -0.72 120.40 111.71 2k54 s VAL 93 Ca 0.47 0.03 -0.29 0.00 -1.81 0.00 0.00 61.98 60.38 2k54 s VAL 93 Cb -0.13 -0.16 0.02 0.00 0.56 0.00 0.00 36.38 36.66 2k54 s VAL 93 CO 0.19 0.08 1.25 -1.81 -0.31 0.00 0.00 175.10 174.51 2k54 s ASP 94 N 0.50 6.55 0.04 4.85 1.11 -1.22 -1.57 116.67 126.93 2k54 s ASP 94 Ca -0.05 0.72 0.07 0.00 0.18 0.00 0.00 52.55 53.48 2k54 s ASP 94 Cb -0.07 -2.54 -0.03 0.00 1.07 0.00 0.00 42.92 41.35 2k54 s ASP 94 CO -0.01 -1.28 -0.21 -0.69 1.18 0.00 0.00 175.17 174.17 2k54 s VAL 95 N 4.76 1.67 -0.39 -1.27 1.01 -0.53 -0.65 120.40 125.00 2k54 s VAL 95 Ca 0.54 -1.20 -0.09 0.00 0.00 0.00 0.00 61.98 61.22 2k54 s VAL 95 Cb -0.11 -1.45 0.06 0.00 0.00 0.00 0.00 36.38 34.88 2k54 s VAL 95 CO 0.30 0.20 0.22 0.00 0.00 0.00 0.00 175.10 175.82 2k54 s ALA 96 N -0.81 3.24 -0.53 5.51 0.00 -0.48 -1.96 121.76 126.74 2k54 s ALA 96 Ca 0.07 -1.95 -0.20 0.00 0.00 0.00 0.00 51.96 49.88 2k54 s ALA 96 Cb -0.09 -2.57 0.06 0.00 0.00 0.00 0.00 23.12 20.53 2k54 s ALA 96 CO 0.02 -1.52 0.69 0.00 0.00 0.00 0.00 175.76 174.95 2k54 s ILE 98 N 2.86 4.33 0.10 0.00 2.07 0.08 -1.10 121.20 129.54 2k54 s ILE 98 Ca 0.17 -0.97 0.03 0.00 -1.41 0.00 0.00 60.65 58.47 2k54 s ILE 98 Cb -0.19 -3.44 -0.04 0.00 0.13 0.00 0.00 42.46 38.92 2k54 s ILE 98 CO 0.12 -0.24 0.13 -0.31 -1.91 0.00 0.00 174.94 172.73 2k54 s TYR 99 N 1.50 3.26 -0.22 3.50 2.02 -0.83 -1.10 117.35 125.49 2k54 s TYR 99 Ca 0.01 0.09 0.02 0.00 -0.37 0.00 0.00 57.07 56.82 2k54 s TYR 99 Cb -0.19 -1.62 0.04 0.00 -0.40 0.00 0.00 41.96 39.78 2k54 s TYR 99 CO 0.05 0.53 -0.13 -2.00 -1.57 0.00 0.00 175.55 172.43 2k54 s GLU 100 N -2.63 2.38 -0.33 -0.62 2.12 -0.25 -2.30 118.70 117.07 2k54 s GLU 100 Ca 0.31 -1.04 -0.12 0.00 0.36 0.00 0.00 54.97 54.49 2k54 s GLU 100 Cb -0.12 -2.64 -0.01 0.00 0.26 0.00 0.00 34.13 31.62 2k54 s GLU 100 CO 0.24 -0.42 0.21 0.08 -0.54 0.00 0.00 175.26 174.82 2k54 s VAL 101 N 1.25 5.01 -0.13 3.70 1.01 -0.17 -0.70 120.40 130.38 2k54 s VAL 101 Ca -0.02 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.65 2k54 s VAL 101 Cb -0.17 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 2k54 s VAL 101 CO -0.08 0.01 -0.17 -0.70 0.00 0.00 0.00 175.10 174.15 2k54 s GLU 102 N 1.68 3.22 -1.51 2.72 2.12 0.40 -4.71 118.70 122.63 2k54 s GLU 102 Ca 0.05 -0.77 -0.02 0.00 0.36 0.00 0.00 54.97 54.59 2k54 s GLU 102 Cb -0.17 -2.51 0.00 0.00 0.26 0.00 0.00 34.13 31.70 2k54 s GLU 102 CO 0.09 0.15 0.25 0.09 -0.54 0.00 0.00 175.26 175.30 2k54 n ASN 103 N 3.66 -5.52 -0.06 -1.70 3.02 -1.26 -1.94 115.26 111.45 2k54 n ASN 103 Ca -0.19 -0.13 -0.01 0.00 -0.03 0.00 0.00 54.58 54.23 2k54 n ASN 103 Cb 0.53 -4.48 -0.00 0.00 -0.61 0.00 0.00 39.78 35.22 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 -1.22 0.45 2.99 7.41 0.00 -1.26 -5.02 105.19 108.54 2k54 n GLY 104 Ca -0.17 -0.14 -0.19 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 -0.78 0.84 -0.56 1.61 1.81 -0.82 -4.95 118.95 116.10 2k54 s ARG 105 Ca 0.00 -0.28 -0.26 0.00 -1.72 0.00 0.00 55.73 53.47 2k54 s ARG 105 Cb 0.00 -0.80 -0.04 0.00 -0.45 0.00 0.00 34.95 33.67 2k54 s ARG 105 CO 0.00 0.12 2.03 0.42 -0.68 0.00 0.00 175.30 177.19 2k54 s ILE 106 N 0.13 3.25 0.06 1.52 1.01 -0.69 -0.45 121.20 126.02 2k54 s ILE 106 Ca -0.02 0.15 0.11 0.00 0.00 0.00 0.00 60.65 60.90 2k54 s ILE 106 Cb -0.07 -3.63 -0.06 0.00 0.01 0.00 0.00 42.46 38.70 2k54 s ILE 106 CO 0.00 -0.60 1.43 0.00 0.00 0.00 0.00 174.94 175.77 2k54 h ALA 107 N 16.32 0.61 -2.55 9.38 0.00 -1.17 -1.20 119.26 140.65 2k54 h ALA 107 Ca -0.26 -0.66 -0.10 0.00 0.00 0.00 0.00 54.91 53.89 2k54 h ALA 107 Cb 1.20 -0.12 -0.18 0.00 0.00 0.00 0.00 17.79 18.69 2k54 h ALA 107 CO 1.19 0.91 -0.27 0.15 0.00 0.00 0.00 179.25 181.23 2k54 s LYS 108 N -3.01 0.77 -0.13 0.00 1.02 -1.00 -1.73 119.74 115.67 2k54 s LYS 108 Ca 0.01 -0.45 -0.09 0.00 0.02 0.00 0.00 55.97 55.47 2k54 s LYS 108 Cb 0.10 0.33 0.04 0.00 -0.52 0.00 0.00 37.83 37.78 2k54 s LYS 108 CO 0.77 -0.24 0.31 0.00 -0.92 0.00 0.00 175.35 175.28 2k54 s ALA 109 N -2.28 -0.77 0.07 5.17 0.00 0.10 -1.09 121.76 122.96 2k54 s ALA 109 Ca -0.07 1.07 0.02 0.00 0.00 0.00 0.00 51.96 52.98 2k54 s ALA 109 Cb -0.02 -0.65 -0.03 0.00 0.00 0.00 0.00 23.12 22.42 2k54 s ALA 109 CO -0.02 -0.19 -0.08 -1.58 0.00 0.00 0.00 175.76 173.90 2k54 s TRP 110 N 0.80 0.81 -0.01 0.00 0.51 -0.26 -1.39 118.94 119.40 2k54 s TRP 110 Ca -0.05 -0.69 -0.04 0.00 -2.12 0.00 0.00 56.10 53.19 2k54 s TRP 110 Cb -0.06 -0.47 -0.00 0.00 -0.81 0.00 0.00 33.47 32.12 2k54 s TRP 110 CO -0.05 -0.10 0.09 -0.59 -0.51 0.00 0.00 176.95 175.78 2k54 s PHE 111 N -2.44 0.03 -0.09 -1.98 -0.71 -1.10 -0.74 117.98 110.95 2k54 s PHE 111 Ca 0.01 -0.07 0.01 0.00 -1.04 0.00 0.00 56.93 55.84 2k54 s PHE 111 Cb -0.03 -0.05 0.02 0.00 -1.21 0.00 0.00 43.02 41.75 2k54 s PHE 111 CO -0.02 -0.18 -0.09 -1.59 -1.34 0.00 0.00 175.22 171.99 2k54 s LYS 112 N -0.88 1.58 -0.27 1.99 -2.85 -0.71 -2.01 119.74 116.59 2k54 s LYS 112 Ca -0.10 -0.32 -0.22 0.00 -1.00 0.00 0.00 55.97 54.34 2k54 s LYS 112 Cb -0.06 -1.49 -0.01 0.00 -2.06 0.00 0.00 37.83 34.21 2k54 s LYS 112 CO 0.00 -0.14 0.70 0.42 0.10 0.00 0.00 175.35 176.44 2k54 s ILE 113 N 1.24 4.91 -0.01 3.79 1.01 -1.26 -1.38 121.20 129.50 2k54 s ILE 113 Ca -0.04 1.20 -0.12 0.00 0.00 0.00 0.00 60.65 61.69 2k54 s ILE 113 Cb -0.14 -4.02 -0.07 0.00 0.01 0.00 0.00 42.46 38.25 2k54 s ILE 113 CO -0.03 -0.06 0.67 1.23 0.00 0.00 0.00 174.94 176.75 2k54 h GLY 114 N 9.10 -0.46 -2.43 6.18 0.00 -1.26 -3.49 103.07 110.72 2k54 h GLY 114 Ca -0.25 0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.25 2k54 h GLY 114 CO 0.82 -0.17 0.10 -1.83 0.00 0.00 0.00 176.54 175.46 2k54 s GLU 115 N -3.12 1.52 0.11 4.80 -1.05 -1.24 -5.06 118.70 114.66 2k54 s GLU 115 Ca -0.06 -0.90 -0.30 0.00 -0.15 0.00 0.00 54.97 53.55 2k54 s GLU 115 Cb 0.01 0.55 -0.06 0.00 -0.44 0.00 0.00 34.13 34.19 2k54 s GLU 115 CO 0.19 -0.66 1.12 -1.25 0.95 0.00 0.00 175.26 175.61 2k54 s PRO 116 N -3.89 4.53 -0.03 -4.83 0.04 -1.26 -3.43 135.00 126.12 2k54 s PRO 116 Ca 0.10 1.69 0.05 0.00 0.04 0.00 0.00 61.00 62.89 2k54 s PRO 116 Cb -0.03 -3.33 -0.03 0.00 0.04 0.00 0.00 34.50 31.16 2k54 s PRO 116 CO 0.00 -0.07 -0.18 1.03 0.04 0.00 0.00 177.00 177.83 2k54 s ARG 117 N 0.39 2.34 0.06 4.56 1.81 0.10 -4.88 118.95 123.33 2k54 s ARG 117 Ca 0.53 -0.80 0.04 0.00 -1.72 0.00 0.00 55.73 53.79 2k54 s ARG 117 Cb -0.28 -2.27 -0.03 0.00 -0.45 0.00 0.00 34.95 31.92 2k54 s ARG 117 CO 0.32 0.60 -0.13 0.42 -0.68 0.00 0.00 175.30 175.83 2k54 s ILE 118 N -0.74 0.96 0.19 1.52 -1.09 -0.68 -2.43 121.20 118.94 2k54 s ILE 118 Ca 0.12 -1.23 -0.11 0.00 -2.23 0.00 0.00 60.65 57.19 2k54 s ILE 118 Cb -0.10 -0.95 0.12 0.00 -1.58 0.00 0.00 42.46 39.95 2k54 s ILE 118 CO 0.01 -0.26 1.83 0.58 -1.23 0.00 0.00 174.94 175.87 2k54 h VAL 119 N 4.35 1.19 0.12 2.92 2.07 -1.97 -3.02 116.25 121.92 2k54 h VAL 119 Ca -0.39 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 2k54 h VAL 119 Cb 1.19 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2k54 h VAL 119 CO 0.40 0.20 -0.06 -1.28 0.02 0.00 0.00 177.57 176.86 2k54 h SER 120 N 0.91 -0.14 -1.01 0.57 0.87 -1.97 -3.39 113.55 109.39 2k54 h SER 120 Ca 0.24 0.00 -0.68 0.00 -1.23 0.00 0.00 61.79 60.13 2k54 h SER 120 Cb -0.02 0.04 -0.09 0.00 -0.44 0.00 0.00 62.40 61.88 2k54 h SER 120 CO -0.04 0.20 2.05 -1.10 -0.53 0.00 0.00 176.83 177.41 2k54 s GLN 121 N -2.02 3.95 -0.24 2.24 -0.21 -1.23 -4.93 119.66 117.22 2k54 s GLN 121 Ca -0.02 -1.95 0.01 0.00 0.02 0.00 0.00 55.36 53.42 2k54 s GLN 121 Cb 0.00 -5.48 0.04 0.00 1.00 0.00 0.00 33.01 28.58 2k54 s GLN 121 CO 0.07 -2.21 -0.12 0.21 -2.12 0.00 0.00 175.29 171.12 2k54 s LYS 122 N 4.08 2.58 0.00 2.91 2.47 -1.14 -1.68 119.74 128.95 2k54 s LYS 122 Ca 0.52 -1.13 0.24 0.00 -1.56 0.00 0.00 55.97 54.05 2k54 s LYS 122 Cb 0.03 -2.84 1.44 0.00 -1.46 0.00 0.00 37.83 35.01 2k54 s LYS 122 CO 0.05 -0.44 1.81 0.45 0.16 0.00 0.00 175.35 177.38