#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 -5.72 0.24 6.12 3.02 -1.26 -4.85 115.26 112.80 2k54 n ASN 2 Ca 0.00 0.21 0.14 0.00 -0.03 0.00 0.00 54.58 54.90 2k54 n ASN 2 Cb 0.00 -3.98 0.38 0.00 -0.61 0.00 0.00 39.78 35.57 2k54 n ASN 2 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2k54 h SER 3 N 0.00 0.00 1.26 6.41 0.02 -1.97 -2.23 113.55 117.04 2k54 h SER 3 Ca -0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 2k54 h SER 3 Cb 1.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.66 2k54 h SER 3 CO 0.26 0.02 0.00 1.05 -1.14 0.00 0.00 176.83 177.02 2k54 h GLU 4 N 0.00 0.00 0.00 3.45 9.09 -1.99 0.18 114.58 125.31 2k54 h GLU 4 Ca -0.00 0.00 -0.21 0.00 0.05 0.00 0.00 59.36 59.20 2k54 h GLU 4 Cb 0.81 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.87 2k54 h GLU 4 CO 0.00 0.00 -1.43 0.82 0.05 0.00 0.00 179.01 178.46 2k54 h ILE 5 N 0.00 0.71 0.00 -1.06 1.08 -1.75 -3.32 117.51 113.17 2k54 h ILE 5 Ca 0.00 -2.33 0.00 0.00 -0.39 0.00 0.00 64.86 62.14 2k54 h ILE 5 Cb 0.63 2.24 0.00 0.00 -3.07 0.00 0.00 36.82 36.62 2k54 h ILE 5 CO 0.00 0.40 0.00 -0.33 -0.69 0.00 0.00 178.15 177.53 2k54 h GLU 6 N 0.00 0.00 0.07 2.37 5.08 -1.14 -3.33 114.58 117.64 2k54 h GLU 6 Ca -0.18 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 2k54 h GLU 6 Cb 1.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.98 2k54 h GLU 6 CO 0.06 0.00 -0.03 -0.07 -1.00 0.00 0.00 179.01 177.97 2k54 h LEU 7 N 0.00 -0.08 0.47 1.33 3.38 -0.75 -0.69 115.31 118.97 2k54 h LEU 7 Ca 0.00 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2k54 h LEU 7 Cb 0.91 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 2k54 h LEU 7 CO 0.00 0.01 -0.27 1.55 0.09 0.00 0.00 178.44 179.83 2k54 h PRO 8 N -0.17 -0.67 -0.43 1.13 0.13 -1.76 -3.16 132.00 127.08 2k54 h PRO 8 Ca -0.01 0.05 0.07 0.00 -0.87 0.00 0.00 66.00 65.24 2k54 h PRO 8 Cb 0.14 0.15 -0.06 0.00 0.13 0.00 0.00 31.00 31.37 2k54 h PRO 8 CO 0.02 -0.45 0.07 0.28 -0.23 0.00 0.00 178.00 177.69 2k54 h VAL 9 N -0.70 0.76 -0.23 1.56 2.07 -1.65 0.24 116.25 118.30 2k54 h VAL 9 Ca -0.06 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 2k54 h VAL 9 Cb 0.56 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2k54 h VAL 9 CO 0.07 0.04 0.11 -0.61 0.02 0.00 0.00 177.57 177.20 2k54 h GLN 10 N 0.20 0.32 -0.24 1.57 -0.00 -1.23 -2.43 115.11 113.31 2k54 h GLN 10 Ca 0.21 -0.05 -0.12 0.00 -0.00 0.00 0.00 58.65 58.70 2k54 h GLN 10 Cb 0.27 -0.06 -0.01 0.00 0.00 0.00 0.00 27.48 27.68 2k54 h GLN 10 CO -0.29 0.33 -0.34 0.87 0.00 0.00 0.00 178.83 179.40 2k54 h LYS 11 N 0.24 0.51 0.17 1.69 1.79 -1.40 -2.74 116.57 116.84 2k54 h LYS 11 Ca 0.08 -0.23 -0.01 0.00 -2.18 0.00 0.00 60.65 58.31 2k54 h LYS 11 Cb 0.11 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 2k54 h LYS 11 CO -0.01 0.79 -0.08 1.96 -1.08 0.00 0.00 179.45 181.03 2k54 h GLN 12 N 0.44 -0.22 -0.08 3.15 4.20 -0.80 -0.85 115.11 120.96 2k54 h GLN 12 Ca 0.05 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.78 2k54 h GLN 12 Cb 0.81 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.63 2k54 h GLN 12 CO 0.07 -0.09 0.04 1.25 -0.67 0.00 0.00 178.83 179.42 2k54 h LEU 13 N -0.29 0.06 -1.50 1.46 7.12 -1.44 0.23 115.31 120.95 2k54 h LEU 13 Ca -0.02 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.99 2k54 h LEU 13 Cb 0.23 -0.01 -0.02 0.00 -0.53 0.00 0.00 40.66 40.33 2k54 h LEU 13 CO 0.04 0.05 0.33 -0.33 -0.13 0.00 0.00 178.44 178.39 2k54 h GLU 14 N 0.08 0.66 0.00 1.25 4.39 -1.45 -0.03 114.58 119.49 2k54 h GLU 14 Ca 0.03 -0.04 -0.12 0.00 0.34 0.00 0.00 59.36 59.57 2k54 h GLU 14 Cb 0.00 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.49 2k54 h GLU 14 CO -0.02 0.44 -0.57 0.00 -1.16 0.00 0.00 179.01 177.70 2k54 h ALA 15 N 1.68 0.87 -0.26 3.43 0.00 -0.62 -2.50 119.26 121.85 2k54 h ALA 15 Ca 0.18 -0.52 -0.13 0.00 0.00 0.00 0.00 54.91 54.45 2k54 h ALA 15 Cb -0.07 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2k54 h ALA 15 CO -0.04 0.71 -0.33 -0.92 0.00 0.00 0.00 179.25 178.67 2k54 h TYR 16 N 0.00 0.84 0.00 0.00 3.20 0.14 0.42 116.97 121.56 2k54 h TYR 16 Ca -0.01 -0.27 -0.19 0.00 3.14 0.00 0.00 58.73 61.41 2k54 h TYR 16 Cb 1.14 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 39.22 2k54 h TYR 16 CO 0.00 1.02 -0.98 -2.95 -1.64 0.00 0.00 178.16 173.61 2k54 h ASN 17 N 0.41 0.00 -0.47 -2.11 7.08 -1.54 -3.33 115.58 115.62 2k54 h ASN 17 Ca 0.03 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.25 2k54 h ASN 17 Cb 0.91 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.15 2k54 h ASN 17 CO 0.08 0.83 0.00 0.00 -2.08 0.00 0.00 177.43 176.26 2k54 n ALA 18 N -2.34 2.56 -1.55 4.14 0.00 -0.94 -4.93 120.51 117.44 2k54 n ALA 18 Ca -0.02 -0.90 -0.17 0.00 0.00 0.00 0.00 53.44 52.34 2k54 n ALA 18 Cb 0.89 -0.98 -0.07 0.00 0.00 0.00 0.00 19.45 19.29 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 0.84 -1.20 -2.99 0.00 5.12 -0.65 -4.95 116.66 112.83 2k54 n ARG 19 Ca 0.16 1.08 -0.44 0.00 -1.93 0.00 0.00 57.85 56.73 2k54 n ARG 19 Cb 0.47 -5.32 -0.04 0.00 -1.16 0.00 0.00 32.46 26.41 2k54 n ARG 19 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2k54 s ASP 20 N -2.78 6.19 0.26 0.55 -1.08 0.05 -4.88 116.67 114.97 2k54 s ASP 20 Ca 0.00 -1.16 0.12 0.00 -0.52 0.00 0.00 52.55 50.99 2k54 s ASP 20 Cb 0.00 -2.36 0.29 0.00 -1.46 0.00 0.00 42.92 39.39 2k54 s ASP 20 CO 0.00 -1.25 1.56 0.40 0.52 0.00 0.00 175.17 176.39 2k54 h ILE 21 N 5.95 1.34 -0.38 4.11 1.08 -1.93 -3.00 117.51 124.67 2k54 h ILE 21 Ca -0.29 -2.27 -0.02 0.00 -0.39 0.00 0.00 64.86 61.89 2k54 h ILE 21 Cb 1.08 2.26 -0.02 0.00 -3.07 0.00 0.00 36.82 37.08 2k54 h ILE 21 CO 1.13 0.62 0.17 0.44 -0.69 0.00 0.00 178.15 179.82 2k54 h ASP 22 N 0.00 0.51 0.53 1.72 3.32 -1.96 0.19 116.42 120.73 2k54 h ASP 22 Ca -0.01 -0.14 -0.29 0.00 0.02 0.00 0.00 57.03 56.61 2k54 h ASP 22 Cb 1.21 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 40.64 2k54 h ASP 22 CO 0.08 0.51 -1.35 0.00 -1.72 0.00 0.00 179.24 176.77 2k54 h ALA 23 N 1.02 0.08 0.00 3.45 0.00 -1.95 0.41 119.26 122.27 2k54 h ALA 23 Ca 0.13 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 54.11 2k54 h ALA 23 Cb 0.15 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2k54 h ALA 23 CO -0.01 0.96 0.00 0.34 0.00 0.00 0.00 179.25 180.53 2k54 n PHE 24 N -3.55 0.00 -0.04 0.00 7.35 -1.05 -2.51 117.46 117.65 2k54 n PHE 24 Ca -0.12 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.53 2k54 n PHE 24 Cb 1.04 -0.44 -0.06 0.00 0.35 0.00 0.00 39.48 40.37 2k54 n PHE 24 CO 0.00 0.00 0.00 -0.12 -0.76 0.00 0.00 176.76 175.88 2k54 n MET 25 N -1.44 2.36 0.23 -4.13 1.56 0.66 -4.79 117.12 111.56 2k54 n MET 25 Ca 0.02 0.01 0.12 0.00 -0.27 0.00 0.00 57.70 57.57 2k54 n MET 25 Cb 0.08 -1.20 0.71 0.00 2.15 0.00 0.00 33.22 34.96 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 0.33 1.96 -0.58 -5.12 0.00 -0.61 -1.79 119.26 113.46 2k54 h ALA 26 Ca -0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2k54 h ALA 26 Cb 1.46 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.26 2k54 h ALA 26 CO 0.00 -0.11 0.00 0.91 0.00 0.00 0.00 179.25 180.06 2k54 n TRP 27 N -4.33 1.20 -4.36 0.00 7.02 -1.24 -4.90 117.44 110.82 2k54 n TRP 27 Ca -0.01 -0.50 -0.31 0.00 -1.02 0.00 0.00 57.50 55.67 2k54 n TRP 27 Cb 0.17 -0.17 -0.10 0.00 -2.42 0.00 0.00 31.31 28.78 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 -1.67 2.75 0.58 -5.99 0.52 -0.68 -1.64 118.94 112.81 2k54 s TRP 28 Ca 0.44 -0.14 -0.17 0.00 0.02 0.00 0.00 56.10 56.25 2k54 s TRP 28 Cb 0.27 -1.49 -0.04 0.00 -1.15 0.00 0.00 33.47 31.06 2k54 s TRP 28 CO 0.23 0.38 1.08 0.00 0.02 0.00 0.00 176.95 178.66 2k54 s ALA 29 N -1.11 2.70 0.48 0.98 0.00 -0.03 -4.69 121.76 120.09 2k54 s ALA 29 Ca 0.19 0.56 0.21 0.00 0.00 0.00 0.00 51.96 52.92 2k54 s ALA 29 Cb -0.11 -3.28 1.32 0.00 0.00 0.00 0.00 23.12 21.05 2k54 s ALA 29 CO 0.11 -0.80 2.09 0.22 0.00 0.00 0.00 175.76 177.37 2k54 h ASP 30 N 0.73 0.00 -0.66 0.00 3.58 -1.96 -2.27 116.42 115.84 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 1.23 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.28 2k54 h ASP 30 CO 0.57 0.10 0.00 -0.67 -2.88 0.00 0.00 179.24 176.36 2k54 n ASP 31 N -4.09 4.24 -4.69 2.28 2.03 -1.26 -1.66 116.55 113.39 2k54 n ASP 31 Ca -0.02 -2.21 -0.42 0.00 0.52 0.00 0.00 54.79 52.65 2k54 n ASP 31 Cb 0.19 -0.51 -0.03 0.00 -0.72 0.00 0.00 41.12 40.05 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 2.52 4.16 -0.19 0.00 -1.52 -0.42 0.17 119.66 124.38 2k54 s GLN 33 Ca 0.81 1.02 -0.04 0.00 -1.95 0.00 0.00 55.36 55.20 2k54 s GLN 33 Cb -0.48 -2.22 0.09 0.00 -0.22 0.00 0.00 33.01 30.18 2k54 s GLN 33 CO 0.37 -0.02 0.26 -0.47 -0.25 0.00 0.00 175.29 175.18 2k54 s TYR 34 N -2.18 -0.42 0.12 0.91 5.04 0.12 -0.80 117.35 120.14 2k54 s TYR 34 Ca 0.60 0.54 0.08 0.00 -2.44 0.00 0.00 57.07 55.86 2k54 s TYR 34 Cb -0.09 -0.20 -0.04 0.00 0.35 0.00 0.00 41.96 41.97 2k54 s TYR 34 CO 0.15 -0.55 -0.13 0.71 -1.34 0.00 0.00 175.55 174.40 2k54 s TYR 35 N 2.39 2.65 0.25 4.97 1.51 -0.46 -0.88 117.35 127.79 2k54 s TYR 35 Ca 0.06 -0.20 0.04 0.00 -1.01 0.00 0.00 57.07 55.96 2k54 s TYR 35 Cb -0.15 -1.38 -0.03 0.00 -0.11 0.00 0.00 41.96 40.29 2k54 s TYR 35 CO -0.12 0.43 0.38 0.00 -1.11 0.00 0.00 175.55 175.14 2k54 s ALA 36 N -1.28 3.89 0.31 3.71 0.00 -0.24 -2.31 121.76 125.84 2k54 s ALA 36 Ca 0.21 -1.15 -0.29 0.00 0.00 0.00 0.00 51.96 50.72 2k54 s ALA 36 Cb -0.11 -1.80 -0.12 0.00 0.00 0.00 0.00 23.12 21.10 2k54 s ALA 36 CO 0.13 0.23 1.51 0.34 0.00 0.00 0.00 175.76 177.97 2k54 n PHE 37 N -1.38 2.75 0.06 0.00 7.35 -0.80 -1.53 117.46 123.91 2k54 n PHE 37 Ca -0.08 0.36 -0.09 0.00 -0.76 0.00 0.00 57.45 56.87 2k54 n PHE 37 Cb 0.57 -2.55 -0.06 0.00 0.35 0.00 0.00 39.48 37.79 2k54 n PHE 37 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 2k54 h PRO 38 N 4.01 -0.24 -1.12 -7.13 0.11 -1.99 -3.41 132.00 122.23 2k54 h PRO 38 Ca -0.48 0.02 -0.37 0.00 0.11 0.00 0.00 66.00 65.28 2k54 h PRO 38 Cb 1.24 0.06 -0.30 0.00 0.11 0.00 0.00 31.00 32.11 2k54 h PRO 38 CO 0.73 0.12 -0.88 0.00 -0.21 0.00 0.00 178.00 177.75 2k54 n ALA 39 N -2.63 1.04 -2.88 -0.75 0.00 -1.06 -5.02 120.51 109.21 2k54 n ALA 39 Ca -0.07 -2.58 -0.44 0.00 0.00 0.00 0.00 53.44 50.35 2k54 n ALA 39 Cb 0.24 -1.02 -0.06 0.00 0.00 0.00 0.00 19.45 18.61 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 -1.37 4.94 -0.47 0.00 2.01 -0.58 -4.93 115.64 115.24 2k54 s THR 40 Ca 0.32 -0.75 -0.27 0.00 0.31 0.00 0.00 61.69 61.29 2k54 s THR 40 Cb 0.34 -4.31 -0.03 0.00 0.01 0.00 0.00 72.50 68.51 2k54 s THR 40 CO -0.06 -0.84 1.91 -0.22 -0.69 0.00 0.00 174.62 174.72 2k54 s LEU 41 N 2.41 3.40 -0.09 4.42 0.20 -1.26 -1.08 118.68 126.68 2k54 s LEU 41 Ca 0.12 0.86 -0.22 0.00 0.69 0.00 0.00 54.13 55.58 2k54 s LEU 41 Cb -0.22 -2.95 -0.29 0.00 -0.43 0.00 0.00 46.19 42.30 2k54 s LEU 41 CO 0.09 -2.16 0.75 -0.07 -0.29 0.00 0.00 176.35 174.67 2k54 h LEU 42 N 15.66 0.33 -7.14 -0.68 3.38 -1.36 -3.47 115.31 122.03 2k54 h LEU 42 Ca -0.29 -0.91 -0.31 0.00 0.09 0.00 0.00 57.88 56.46 2k54 h LEU 42 Cb 1.18 -0.11 -0.36 0.00 0.09 0.00 0.00 40.66 41.46 2k54 h LEU 42 CO 1.13 1.38 -0.64 0.00 0.09 0.00 0.00 178.44 180.40 2k54 s ALA 43 N -2.40 -0.13 -0.56 1.53 0.00 -0.92 -4.98 121.76 114.30 2k54 s ALA 43 Ca -0.17 0.42 0.01 0.00 0.00 0.00 0.00 51.96 52.22 2k54 s ALA 43 Cb 0.01 -0.94 0.51 0.00 0.00 0.00 0.00 23.12 22.70 2k54 s ALA 43 CO 0.77 -0.75 1.89 0.41 0.00 0.00 0.00 175.76 178.09 2k54 n GLY 44 N 5.32 5.55 0.00 0.00 0.00 -1.26 0.13 105.19 114.93 2k54 n GLY 44 Ca -0.05 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.97 0.00 -0.15 1.61 0.23 0.13 -4.58 115.26 111.53 2k54 n ASN 45 Ca 0.59 0.00 0.04 0.00 -0.53 0.00 0.00 54.58 54.67 2k54 n ASN 45 Cb 0.95 0.00 0.33 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 1.63 -0.69 -2.53 0.00 -1.42 -3.03 119.26 113.22 2k54 h ALA 46 Ca 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2k54 h ALA 46 Cb 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 2k54 h ALA 46 CO 0.00 0.31 0.46 0.00 0.00 0.00 0.00 179.25 180.02 2k54 h ALA 47 N 1.61 0.88 0.01 0.00 0.00 -1.91 -0.36 119.26 119.49 2k54 h ALA 47 Ca 0.26 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.93 2k54 h ALA 47 Cb 0.05 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2k54 h ALA 47 CO -0.07 0.29 -0.88 0.93 0.00 0.00 0.00 179.25 179.52 2k54 h GLU 48 N 0.93 0.18 -0.56 0.00 5.08 -1.93 -3.03 114.58 115.24 2k54 h GLU 48 Ca 0.26 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 2k54 h GLU 48 Cb -0.09 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 2k54 h GLU 48 CO -0.06 0.95 0.21 0.82 -1.00 0.00 0.00 179.01 179.92 2k54 h ILE 49 N 0.10 1.23 0.50 3.13 2.04 -1.34 -2.74 117.51 120.42 2k54 h ILE 49 Ca -0.04 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.07 2k54 h ILE 49 Cb 1.51 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 2k54 h ILE 49 CO 0.13 0.28 -0.44 -0.09 0.00 0.00 0.00 178.15 178.03 2k54 h ARG 50 N 0.78 -0.90 -0.16 2.37 2.43 -1.06 -2.55 114.38 115.29 2k54 h ARG 50 Ca 0.19 0.06 -0.16 0.00 -0.81 0.00 0.00 59.98 59.26 2k54 h ARG 50 Cb 0.23 0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 2k54 h ARG 50 CO -0.01 -0.60 -0.56 -0.39 -1.51 0.00 0.00 179.97 176.90 2k54 h VAL 51 N -0.93 1.33 -0.10 0.20 -1.51 -1.56 -1.57 116.25 112.11 2k54 h VAL 51 Ca -0.05 -1.82 -0.16 0.00 -1.23 0.00 0.00 66.70 63.43 2k54 h VAL 51 Cb 0.81 1.81 -0.01 0.00 -2.13 0.00 0.00 31.29 31.77 2k54 h VAL 51 CO -0.03 0.56 -0.61 -0.09 -1.23 0.00 0.00 177.57 176.17 2k54 h ARG 52 N 0.38 0.35 0.00 5.19 2.43 -1.55 -2.99 114.38 118.19 2k54 h ARG 52 Ca 0.01 -0.24 -0.11 0.00 -0.81 0.00 0.00 59.98 58.82 2k54 h ARG 52 Cb 1.09 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.66 2k54 h ARG 52 CO 0.10 0.86 -0.51 0.45 -1.51 0.00 0.00 179.97 179.35 2k54 h HIS 53 N 0.26 0.00 -0.78 2.20 3.86 -1.15 -3.08 115.15 116.47 2k54 h HIS 53 Ca -0.01 0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.26 2k54 h HIS 53 Cb 1.14 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.55 2k54 h HIS 53 CO 0.03 0.51 0.46 0.82 0.86 0.00 0.00 177.93 180.62 2k54 h ILE 54 N 0.00 1.01 -0.68 2.45 2.04 -1.14 -0.87 117.51 120.32 2k54 h ILE 54 Ca -0.01 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 2k54 h ILE 54 Cb 1.12 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 2k54 h ILE 54 CO 0.07 0.15 0.39 -0.33 0.00 0.00 0.00 178.15 178.43 2k54 h GLU 55 N 0.85 0.93 -0.64 2.37 5.08 -1.53 -1.12 114.58 120.53 2k54 h GLU 55 Ca 0.34 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.54 2k54 h GLU 55 Cb 0.18 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 2k54 h GLU 55 CO -0.18 0.67 0.10 -0.09 -1.00 0.00 0.00 179.01 178.52 2k54 h ARG 56 N 0.94 1.04 -0.01 2.33 9.65 -1.36 -2.85 114.38 124.13 2k54 h ARG 56 Ca 0.24 -0.27 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 2k54 h ARG 56 Cb 0.00 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.46 2k54 h ARG 56 CO -0.04 0.96 0.00 1.19 2.80 0.00 0.00 179.97 184.87 2k54 n PHE 57 N -4.22 0.01 0.42 2.20 3.01 -0.39 -2.75 117.46 115.74 2k54 n PHE 57 Ca 0.04 -0.01 0.11 0.00 1.01 0.00 0.00 57.45 58.61 2k54 n PHE 57 Cb 0.28 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.70 2k54 n PHE 57 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2k54 n LYS 58 N -0.76 0.39 -2.20 -1.08 4.76 -0.67 -4.93 118.16 113.67 2k54 n LYS 58 Ca 0.19 -0.04 -0.42 0.00 -2.87 0.00 0.00 58.31 55.17 2k54 n LYS 58 Cb 0.12 -1.59 -0.03 0.00 -1.84 0.00 0.00 35.03 31.70 2k54 n LYS 58 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2k54 s GLU 59 N -3.28 4.24 0.53 1.97 2.12 -1.11 -4.92 118.70 118.25 2k54 s GLU 59 Ca 0.01 1.97 0.25 0.00 0.36 0.00 0.00 54.97 57.56 2k54 s GLU 59 Cb 0.14 -3.73 1.46 0.00 0.26 0.00 0.00 34.13 32.26 2k54 s GLU 59 CO 0.84 -0.68 2.11 -1.00 -0.54 0.00 0.00 175.26 175.99 2k54 h PRO 60 N 8.39 0.00 -0.00 4.30 0.13 -1.91 -2.28 132.00 140.62 2k54 h PRO 60 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2k54 h PRO 60 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2k54 h PRO 60 CO 0.93 0.10 -0.18 -0.25 -0.23 0.00 0.00 178.00 178.37 2k54 n ASP 61 N -3.84 0.56 -4.61 1.44 9.92 -1.26 -4.86 116.55 113.90 2k54 n ASP 61 Ca -0.02 -0.52 -0.45 0.00 -0.53 0.00 0.00 54.79 53.27 2k54 n ASP 61 Cb 0.19 -0.02 -0.04 0.00 -0.64 0.00 0.00 41.12 40.61 2k54 n ASP 61 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 2k54 n LEU 62 N -0.99 3.38 -3.60 0.64 7.94 -0.86 -4.24 117.00 119.27 2k54 n LEU 62 Ca 0.12 0.54 -0.13 0.00 -1.11 0.00 0.00 56.01 55.43 2k54 n LEU 62 Cb 0.30 -1.48 -0.12 0.00 0.53 0.00 0.00 43.42 42.66 2k54 n LEU 62 CO 0.26 -0.35 -0.12 -0.47 -1.11 0.00 0.00 177.39 175.59 2k54 s TYR 63 N 6.46 -0.47 -0.44 1.96 5.04 -1.25 -4.99 117.35 123.66 2k54 s TYR 63 Ca 0.98 0.87 -0.08 0.00 -2.44 0.00 0.00 57.07 56.39 2k54 s TYR 63 Cb -0.49 -0.06 0.10 0.00 0.35 0.00 0.00 41.96 41.85 2k54 s TYR 63 CO 0.42 -0.45 0.28 0.20 -1.34 0.00 0.00 175.55 174.65 2k54 s GLY 64 N 2.43 1.99 -0.53 8.97 0.00 -1.26 -1.18 107.32 117.75 2k54 s GLY 64 Ca 0.03 -2.36 -0.17 0.00 0.00 0.00 0.00 44.72 42.22 2k54 s GLY 64 CO -0.10 1.03 0.56 1.85 0.00 0.00 0.00 173.10 176.43 2k54 s GLU 65 N 1.35 3.04 -0.27 2.90 2.12 -1.09 -4.69 118.70 122.06 2k54 s GLU 65 Ca 0.05 -1.29 -0.29 0.00 0.36 0.00 0.00 54.97 53.79 2k54 s GLU 65 Cb -0.24 -4.19 -0.01 0.00 0.26 0.00 0.00 34.13 29.95 2k54 s GLU 65 CO -0.00 -1.28 1.36 -1.17 -0.54 0.00 0.00 175.26 173.63 2k54 s LEU 66 N 2.17 3.92 -0.18 2.70 0.20 -1.26 -1.03 118.68 125.20 2k54 s LEU 66 Ca 0.09 1.35 0.17 0.00 0.69 0.00 0.00 54.13 56.42 2k54 s LEU 66 Cb -0.24 -3.54 -0.23 0.00 -0.43 0.00 0.00 46.19 41.75 2k54 s LEU 66 CO 0.07 -1.07 0.07 0.00 -0.29 0.00 0.00 176.35 175.13 2k54 n LEU 67 N 7.65 0.00 -3.72 -0.68 -0.00 -1.12 -4.98 117.00 114.15 2k54 n LEU 67 Ca 0.15 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 56.05 2k54 n LEU 67 Cb 0.46 0.46 -0.11 0.00 -0.00 0.00 0.00 43.42 44.23 2k54 n LEU 67 CO 0.62 0.46 0.02 -0.89 -0.00 0.00 0.00 177.39 177.60 2k54 s THR 68 N -2.47 -0.02 -0.00 1.47 2.01 -1.19 -5.10 115.64 110.34 2k54 s THR 68 Ca -0.09 0.07 0.00 0.00 0.31 0.00 0.00 61.69 61.98 2k54 s THR 68 Cb 0.06 -0.54 0.00 0.00 0.01 0.00 0.00 72.50 72.03 2k54 s THR 68 CO 0.77 0.03 -0.00 0.00 -0.69 0.00 0.00 174.62 174.73 2k54 s ARG 69 N 1.00 0.05 -0.12 4.92 1.70 -1.26 -1.14 118.95 124.09 2k54 s ARG 69 Ca -0.07 -0.01 0.02 0.00 -0.47 0.00 0.00 55.73 55.20 2k54 s ARG 69 Cb -0.07 -0.05 0.01 0.00 -0.57 0.00 0.00 34.95 34.27 2k54 s ARG 69 CO -0.08 0.01 -0.20 0.14 -1.08 0.00 0.00 175.30 174.09 2k54 s VAL 70 N 0.02 1.85 -0.11 4.99 -7.23 -0.55 -5.00 120.40 114.38 2k54 s VAL 70 Ca -0.00 -0.86 -0.02 0.00 -1.81 0.00 0.00 61.98 59.29 2k54 s VAL 70 Cb -0.01 -1.65 -0.03 0.00 0.56 0.00 0.00 36.38 35.25 2k54 s VAL 70 CO -0.00 0.51 -0.02 -0.51 -0.31 0.00 0.00 175.10 174.77 2k54 s ILE 71 N 0.83 4.07 -0.32 -0.62 2.07 -1.26 -1.08 121.20 124.89 2k54 s ILE 71 Ca -0.08 -0.32 -0.01 0.00 -1.41 0.00 0.00 60.65 58.83 2k54 s ILE 71 Cb -0.16 -2.73 0.13 0.00 0.13 0.00 0.00 42.46 39.83 2k54 s ILE 71 CO -0.01 0.56 0.22 0.54 -1.91 0.00 0.00 174.94 174.34 2k54 s VAL 72 N -0.36 -0.13 0.00 4.00 0.11 -0.55 -5.03 120.40 118.45 2k54 s VAL 72 Ca 0.06 -0.96 0.00 0.00 -2.93 0.00 0.00 61.98 58.15 2k54 s VAL 72 Cb -0.12 -0.97 0.00 0.00 -1.53 0.00 0.00 36.38 33.75 2k54 s VAL 72 CO 0.02 -0.72 0.00 0.61 -3.33 0.00 0.00 175.10 171.68 2k54 n GLY 73 N 4.83 3.03 0.53 6.54 0.00 -1.26 -2.86 105.19 115.99 2k54 n GLY 73 Ca 0.02 -0.19 0.07 0.00 0.00 0.00 0.00 46.02 45.92 2k54 n GLY 73 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k54 n ASN 74 N 7.47 1.55 -4.03 1.61 6.94 -1.26 -4.87 115.26 122.67 2k54 n ASN 74 Ca 0.00 -1.85 -0.17 0.00 -0.02 0.00 0.00 54.58 52.54 2k54 n ASN 74 Cb 0.00 -0.15 -0.14 0.00 -2.36 0.00 0.00 39.78 37.13 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 -1.69 0.64 0.01 3.53 0.11 -1.14 -0.65 120.40 121.21 2k54 s VAL 75 Ca 0.25 -0.56 0.06 0.00 -2.93 0.00 0.00 61.98 58.81 2k54 s VAL 75 Cb 0.13 -0.58 -0.02 0.00 -1.53 0.00 0.00 36.38 34.39 2k54 s VAL 75 CO 0.19 0.03 -0.20 -0.69 -3.33 0.00 0.00 175.10 171.10 2k54 s VAL 76 N -0.51 1.56 -0.47 2.04 1.01 -0.90 -1.48 120.40 121.65 2k54 s VAL 76 Ca 0.00 -0.96 -0.16 0.00 0.00 0.00 0.00 61.98 60.86 2k54 s VAL 76 Cb -0.05 -1.32 0.06 0.00 0.00 0.00 0.00 36.38 35.07 2k54 s VAL 76 CO 0.00 0.34 0.41 -0.63 0.00 0.00 0.00 175.10 175.22 2k54 s ILE 77 N -0.59 5.19 -0.47 2.22 -1.09 -0.24 -2.30 121.20 123.92 2k54 s ILE 77 Ca 0.07 -0.94 -0.16 0.00 -2.23 0.00 0.00 60.65 57.40 2k54 s ILE 77 Cb -0.08 -4.12 0.07 0.00 -1.58 0.00 0.00 42.46 36.75 2k54 s ILE 77 CO 0.00 -0.57 0.42 -1.81 -1.23 0.00 0.00 174.94 171.75 2k54 s ASP 78 N 2.49 6.16 -0.49 3.58 1.01 -0.47 -1.47 116.67 127.47 2k54 s ASP 78 Ca 0.06 -1.26 -0.16 0.00 0.71 0.00 0.00 52.55 51.89 2k54 s ASP 78 Cb -0.23 -2.20 0.08 0.00 1.01 0.00 0.00 42.92 41.58 2k54 s ASP 78 CO 0.08 -0.67 0.46 -2.28 0.21 0.00 0.00 175.17 172.97 2k54 s HIS 79 N 1.76 3.20 0.32 4.23 2.46 -0.29 -0.64 115.29 126.33 2k54 s HIS 79 Ca 0.05 -0.90 0.07 0.00 0.47 0.00 0.00 55.06 54.75 2k54 s HIS 79 Cb -0.23 -3.33 -0.02 0.00 -0.13 0.00 0.00 32.58 28.86 2k54 s HIS 79 CO 0.07 -0.88 0.39 -1.21 -2.47 0.00 0.00 174.74 170.64 2k54 s GLU 80 N 1.84 3.04 -0.46 2.88 2.02 -0.45 -2.80 118.70 124.77 2k54 s GLU 80 Ca 0.06 -1.06 -0.10 0.00 0.02 0.00 0.00 54.97 53.89 2k54 s GLU 80 Cb -0.24 -2.72 0.10 0.00 0.10 0.00 0.00 34.13 31.37 2k54 s GLU 80 CO 0.07 0.15 0.34 0.99 0.02 0.00 0.00 175.26 176.82 2k54 s THR 81 N -2.18 4.38 -0.61 3.63 2.01 -0.20 -0.95 115.64 121.73 2k54 s THR 81 Ca 0.42 -1.59 -0.24 0.00 0.31 0.00 0.00 61.69 60.58 2k54 s THR 81 Cb -0.08 -3.79 0.05 0.00 0.01 0.00 0.00 72.50 68.68 2k54 s THR 81 CO 0.29 -0.69 1.00 -0.69 -0.69 0.00 0.00 174.62 173.84 2k54 s VAL 82 N 1.42 4.28 0.04 3.82 1.01 0.30 -2.66 120.40 128.60 2k54 s VAL 82 Ca 0.04 0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.85 2k54 s VAL 82 Cb -0.25 -4.63 -0.06 0.00 0.00 0.00 0.00 36.38 31.43 2k54 s VAL 82 CO 0.01 -1.31 1.35 -0.89 0.00 0.00 0.00 175.10 174.26 2k54 s THR 83 N 4.22 3.69 0.00 3.92 2.01 -0.33 -1.06 115.64 128.10 2k54 s THR 83 Ca 0.29 1.14 0.00 0.00 0.31 0.00 0.00 61.69 63.43 2k54 s THR 83 Cb -0.13 -3.73 0.00 0.00 0.01 0.00 0.00 72.50 68.65 2k54 s THR 83 CO 0.16 0.04 0.00 0.54 -0.69 0.00 0.00 174.62 174.67 2k54 n ARG 84 N 4.77 3.59 -3.76 4.92 5.12 -0.54 -3.84 116.66 126.92 2k54 n ARG 84 Ca 0.12 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.75 2k54 n ARG 84 Cb 0.44 0.00 -0.15 0.00 -1.16 0.00 0.00 32.46 31.58 2k54 n ARG 84 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 2k54 s ASN 85 N 0.49 3.74 -0.12 0.55 3.84 -1.25 -4.32 114.94 117.86 2k54 s ASN 85 Ca 0.00 -1.38 -0.02 0.00 0.21 0.00 0.00 52.86 51.66 2k54 s ASN 85 Cb 0.00 -0.85 -0.03 0.00 -0.55 0.00 0.00 41.25 39.82 2k54 s ASN 85 CO 0.00 -0.36 -0.03 -0.36 -2.79 0.00 0.00 177.10 173.56 2k54 s PHE 86 N 1.64 3.06 -0.86 0.43 0.08 -0.74 -4.95 117.98 116.64 2k54 s PHE 86 Ca 0.05 -0.06 0.09 0.00 0.12 0.00 0.00 56.93 57.13 2k54 s PHE 86 Cb -0.17 -1.86 0.41 0.00 -0.57 0.00 0.00 43.02 40.82 2k54 s PHE 86 CO -0.18 0.20 1.28 -0.35 -0.10 0.00 0.00 175.22 176.07 2k54 n PRO 87 N 2.85 0.03 0.09 0.24 -0.04 -1.26 -1.57 135.00 135.35 2k54 n PRO 87 Ca -0.18 0.44 -0.04 0.00 -0.04 0.00 0.00 63.50 63.68 2k54 n PRO 87 Cb 0.53 -1.59 -0.06 0.00 -0.04 0.00 0.00 33.50 32.35 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 9.09 -2.03 -3.50 114.58 118.68 2k54 h GLU 88 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2k54 h GLU 88 Cb 0.10 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.20 2k54 h GLU 88 CO 0.00 0.81 0.00 0.41 0.05 0.00 0.00 179.01 180.28 2k54 n GLY 89 N 1.25 -0.40 0.00 1.06 0.00 -0.61 -5.07 105.19 101.42 2k54 n GLY 89 Ca 0.01 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.66 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 -4.23 118.16 117.28 2k54 n LYS 90 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2k54 n LYS 90 Cb 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 35.03 34.32 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 1.04 1.93 3.58 3.14 0.00 -1.20 -1.79 105.19 111.89 2k54 n GLY 91 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.12 3.72 -0.18 1.61 -1.05 -0.46 -1.46 118.70 120.75 2k54 s GLU 92 Ca 0.00 0.19 -0.03 0.00 -0.15 0.00 0.00 54.97 54.98 2k54 s GLU 92 Cb 0.00 -3.81 -0.02 0.00 -0.44 0.00 0.00 34.13 29.86 2k54 s GLU 92 CO 0.00 -0.80 -0.05 0.14 0.95 0.00 0.00 175.26 175.50 2k54 s VAL 93 N 2.91 3.55 -0.49 1.83 -7.23 -0.22 -1.69 120.40 119.06 2k54 s VAL 93 Ca 0.28 -0.46 -0.29 0.00 -1.81 0.00 0.00 61.98 59.70 2k54 s VAL 93 Cb -0.14 -2.57 0.03 0.00 0.56 0.00 0.00 36.38 34.26 2k54 s VAL 93 CO 0.16 0.47 1.19 1.51 -0.31 0.00 0.00 175.10 178.12 2k54 s ASP 94 N 0.79 6.55 -0.12 4.85 -4.77 -1.24 -0.54 116.67 122.19 2k54 s ASP 94 Ca -0.02 0.45 -0.00 0.00 -3.30 0.00 0.00 52.55 49.68 2k54 s ASP 94 Cb -0.15 -2.55 -0.02 0.00 -1.09 0.00 0.00 42.92 39.12 2k54 s ASP 94 CO 0.02 -1.33 -0.11 -0.69 0.70 0.00 0.00 175.17 173.75 2k54 s VAL 95 N 4.73 3.23 -0.61 2.11 1.01 -0.12 -0.40 120.40 130.34 2k54 s VAL 95 Ca 0.49 -0.61 -0.20 0.00 0.00 0.00 0.00 61.98 61.67 2k54 s VAL 95 Cb -0.08 -2.35 0.10 0.00 0.00 0.00 0.00 36.38 34.04 2k54 s VAL 95 CO 0.31 0.53 0.77 0.00 0.00 0.00 0.00 175.10 176.71 2k54 s ALA 96 N 0.15 3.34 -0.46 5.51 0.00 -0.05 -1.35 121.76 128.91 2k54 s ALA 96 Ca -0.06 -2.15 -0.19 0.00 0.00 0.00 0.00 51.96 49.57 2k54 s ALA 96 Cb -0.15 -3.61 0.04 0.00 0.00 0.00 0.00 23.12 19.40 2k54 s ALA 96 CO 0.04 -2.46 0.57 0.00 0.00 0.00 0.00 175.76 173.91 2k54 s ILE 98 N 2.50 4.27 -0.11 0.00 2.07 -0.21 -1.37 121.20 128.37 2k54 s ILE 98 Ca 0.16 -0.56 0.00 0.00 -1.41 0.00 0.00 60.65 58.84 2k54 s ILE 98 Cb -0.17 -3.19 -0.02 0.00 0.13 0.00 0.00 42.46 39.20 2k54 s ILE 98 CO 0.14 0.07 -0.10 -0.31 -1.91 0.00 0.00 174.94 172.83 2k54 s TYR 99 N 1.56 2.85 -0.33 3.50 2.02 -0.97 -1.27 117.35 124.71 2k54 s TYR 99 Ca 0.04 -0.36 -0.08 0.00 -0.37 0.00 0.00 57.07 56.30 2k54 s TYR 99 Cb -0.17 -1.80 0.02 0.00 -0.40 0.00 0.00 41.96 39.61 2k54 s TYR 99 CO 0.04 0.00 0.13 -2.00 -1.57 0.00 0.00 175.55 172.15 2k54 s GLU 100 N -0.08 2.98 0.15 -0.62 2.12 -0.04 -2.12 118.70 121.09 2k54 s GLU 100 Ca -0.01 -0.95 -0.24 0.00 0.36 0.00 0.00 54.97 54.13 2k54 s GLU 100 Cb -0.14 -3.51 -0.08 0.00 0.26 0.00 0.00 34.13 30.67 2k54 s GLU 100 CO 0.03 -0.54 0.73 0.08 -0.54 0.00 0.00 175.26 175.02 2k54 s VAL 101 N 1.51 4.45 -0.23 3.70 1.01 0.18 -2.51 120.40 128.51 2k54 s VAL 101 Ca 0.02 1.60 -0.04 0.00 0.00 0.00 0.00 61.98 63.55 2k54 s VAL 101 Cb -0.18 -4.08 0.09 0.00 0.00 0.00 0.00 36.38 32.20 2k54 s VAL 101 CO 0.04 0.52 0.14 -0.70 0.00 0.00 0.00 175.10 175.10 2k54 s GLU 102 N -1.16 0.15 -1.52 2.72 2.56 0.27 -4.82 118.70 116.89 2k54 s GLU 102 Ca 0.35 -0.21 -0.01 0.00 0.00 0.00 0.00 54.97 55.10 2k54 s GLU 102 Cb -0.22 -1.41 0.00 0.00 2.00 0.00 0.00 34.13 34.50 2k54 s GLU 102 CO 0.25 -0.82 0.18 0.09 -0.56 0.00 0.00 175.26 174.39 2k54 n ASN 103 N 5.28 -5.45 0.00 -1.70 3.02 -1.26 -2.30 115.26 112.84 2k54 n ASN 103 Ca -0.06 -0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 2k54 n ASN 103 Cb 0.46 -4.44 0.00 0.00 -0.61 0.00 0.00 39.78 35.20 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 -1.15 0.62 2.99 7.41 0.00 -1.26 -5.05 105.19 108.74 2k54 n GLY 104 Ca -0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.79 1.12 -0.26 1.61 1.81 -0.97 -4.80 118.95 116.65 2k54 s ARG 105 Ca 0.00 -0.30 -0.29 0.00 -1.72 0.00 0.00 55.73 53.43 2k54 s ARG 105 Cb 0.00 -1.01 -0.03 0.00 -0.45 0.00 0.00 34.95 33.46 2k54 s ARG 105 CO 0.00 0.06 1.78 0.42 -0.68 0.00 0.00 175.30 176.88 2k54 s ILE 106 N 0.43 3.49 -0.91 1.52 1.01 -0.65 -0.57 121.20 125.52 2k54 s ILE 106 Ca -0.07 0.53 0.22 0.00 0.00 0.00 0.00 60.65 61.33 2k54 s ILE 106 Cb -0.11 -3.59 -0.15 0.00 0.01 0.00 0.00 42.46 38.62 2k54 s ILE 106 CO 0.01 -0.32 1.05 0.00 0.00 0.00 0.00 174.94 175.69 2k54 n ALA 107 N 9.62 4.15 -3.65 9.38 0.00 -1.04 -0.85 120.51 138.12 2k54 n ALA 107 Ca 0.22 -0.50 -0.11 0.00 0.00 0.00 0.00 53.44 53.05 2k54 n ALA 107 Cb 0.46 -0.90 -0.11 0.00 0.00 0.00 0.00 19.45 18.90 2k54 n ALA 107 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2k54 s LYS 108 N -3.05 0.36 -0.04 0.00 1.02 -1.20 -1.30 119.74 115.53 2k54 s LYS 108 Ca 0.08 0.70 -0.03 0.00 0.02 0.00 0.00 55.97 56.74 2k54 s LYS 108 Cb 0.16 -0.02 0.01 0.00 -0.52 0.00 0.00 37.83 37.46 2k54 s LYS 108 CO 0.81 -0.15 0.09 0.00 -0.92 0.00 0.00 175.35 175.19 2k54 s ALA 109 N 1.23 -0.23 0.06 5.17 0.00 0.02 -0.86 121.76 127.15 2k54 s ALA 109 Ca -0.08 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.15 2k54 s ALA 109 Cb -0.08 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 2k54 s ALA 109 CO -0.10 -0.05 -0.05 -1.58 0.00 0.00 0.00 175.76 173.98 2k54 s TRP 110 N 0.07 0.60 -0.01 0.00 0.51 -0.40 -1.36 118.94 118.36 2k54 s TRP 110 Ca -0.00 -0.86 -0.05 0.00 -2.12 0.00 0.00 56.10 53.07 2k54 s TRP 110 Cb -0.01 -0.39 0.00 0.00 -0.81 0.00 0.00 33.47 32.26 2k54 s TRP 110 CO 0.00 -0.24 0.10 -0.59 -0.51 0.00 0.00 176.95 175.71 2k54 s PHE 111 N -3.09 0.03 -0.10 -1.98 -0.71 -0.98 -1.04 117.98 110.11 2k54 s PHE 111 Ca 0.02 -0.07 0.00 0.00 -1.04 0.00 0.00 56.93 55.84 2k54 s PHE 111 Cb 0.02 -0.05 0.02 0.00 -1.21 0.00 0.00 43.02 41.80 2k54 s PHE 111 CO -0.06 -0.21 -0.09 0.21 -1.34 0.00 0.00 175.22 173.74 2k54 s LYS 112 N -0.98 1.62 -0.07 1.99 2.20 -0.55 -1.91 119.74 122.03 2k54 s LYS 112 Ca -0.11 -0.31 -0.22 0.00 -0.36 0.00 0.00 55.97 54.97 2k54 s LYS 112 Cb -0.06 -1.57 -0.04 0.00 -1.51 0.00 0.00 37.83 34.65 2k54 s LYS 112 CO 0.01 -0.19 0.65 0.42 -0.36 0.00 0.00 175.35 175.88 2k54 s ILE 113 N 1.43 5.06 0.00 5.43 1.01 -1.26 -0.87 121.20 132.01 2k54 s ILE 113 Ca 0.00 1.34 0.00 0.00 0.00 0.00 0.00 60.65 61.99 2k54 s ILE 113 Cb -0.13 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.34 2k54 s ILE 113 CO -0.05 0.28 0.00 0.61 0.00 0.00 0.00 174.94 175.77 2k54 n GLY 114 N 3.08 0.56 3.92 6.18 0.00 0.46 -4.98 105.19 114.42 2k54 n GLY 114 Ca -0.03 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 2k54 n GLY 114 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k54 s GLU 115 N 0.00 3.39 -0.36 1.61 -1.05 -1.26 -4.90 118.70 116.14 2k54 s GLU 115 Ca 0.00 -0.08 -0.26 0.00 -0.15 0.00 0.00 54.97 54.48 2k54 s GLU 115 Cb 0.00 -2.48 0.01 0.00 -0.44 0.00 0.00 34.13 31.23 2k54 s GLU 115 CO 0.00 -0.16 0.92 -1.25 0.95 0.00 0.00 175.26 175.73 2k54 s PRO 116 N -4.61 3.87 0.06 -4.83 0.04 -1.26 -3.61 135.00 124.65 2k54 s PRO 116 Ca 0.46 0.62 0.03 0.00 0.04 0.00 0.00 61.00 62.15 2k54 s PRO 116 Cb -0.10 -3.79 -0.04 0.00 0.04 0.00 0.00 34.50 30.61 2k54 s PRO 116 CO 0.41 -0.92 0.04 1.03 0.04 0.00 0.00 177.00 177.60 2k54 s ARG 117 N 3.44 2.77 0.06 4.56 0.52 -0.68 -5.01 118.95 124.60 2k54 s ARG 117 Ca 0.38 -0.70 0.06 0.00 -0.52 0.00 0.00 55.73 54.95 2k54 s ARG 117 Cb -0.12 -2.66 -0.03 0.00 0.52 0.00 0.00 34.95 32.66 2k54 s ARG 117 CO 0.18 0.58 -0.16 0.42 0.02 0.00 0.00 175.30 176.33 2k54 s ILE 118 N -1.28 1.28 0.54 1.52 -1.09 -1.26 -1.36 121.20 119.55 2k54 s ILE 118 Ca 0.25 -1.17 0.25 0.00 -2.23 0.00 0.00 60.65 57.76 2k54 s ILE 118 Cb -0.12 -1.17 0.39 0.00 -1.58 0.00 0.00 42.46 39.98 2k54 s ILE 118 CO 0.17 -0.02 2.01 0.58 -1.23 0.00 0.00 174.94 176.45 2k54 h VAL 119 N 4.38 0.70 -0.08 2.92 2.07 -1.96 -0.72 116.25 123.56 2k54 h VAL 119 Ca -0.40 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.01 2k54 h VAL 119 Cb 1.18 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 2k54 h VAL 119 CO 0.42 0.00 -0.35 0.77 0.02 0.00 0.00 177.57 178.44 2k54 h SER 120 N 0.00 0.45 -0.01 0.57 4.64 -1.98 -3.37 113.55 113.85 2k54 h SER 120 Ca 0.22 -0.63 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2k54 h SER 120 Cb 0.91 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 2k54 h SER 120 CO -0.00 1.01 -0.34 0.00 -0.87 0.00 0.00 176.83 176.63 2k54 n GLN 121 N -4.39 1.57 -1.81 4.77 6.02 -0.85 -5.04 117.38 117.66 2k54 n GLN 121 Ca -0.08 -0.91 -0.37 0.00 -0.01 0.00 0.00 57.00 55.62 2k54 n GLN 121 Cb 0.51 -1.33 0.05 0.00 1.02 0.00 0.00 30.24 30.50 2k54 n GLN 121 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2k54 s LYS 122 N -2.01 2.78 0.00 -1.09 -2.85 -0.33 -4.91 119.74 111.33 2k54 s LYS 122 Ca 0.15 2.06 0.00 0.00 -1.00 0.00 0.00 55.97 57.18 2k54 s LYS 122 Cb 0.14 -1.97 0.00 0.00 -2.06 0.00 0.00 37.83 33.95 2k54 s LYS 122 CO 0.43 -1.42 0.00 -1.13 0.10 0.00 0.00 175.35 173.33