#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k54 n ASN 2 N 0.00 0.00 -0.18 6.12 0.23 -1.26 -4.96 115.26 115.21 2k54 n ASN 2 Ca 0.00 0.00 -0.08 0.00 -0.53 0.00 0.00 54.58 53.97 2k54 n ASN 2 Cb 0.00 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 37.72 2k54 n ASN 2 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2k54 h SER 3 N 0.00 0.72 0.14 0.53 4.64 -2.00 -2.11 113.55 115.47 2k54 h SER 3 Ca 0.00 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 2k54 h SER 3 Cb 0.00 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 61.90 2k54 h SER 3 CO 0.00 0.68 0.00 -1.84 -0.87 0.00 0.00 176.83 174.80 2k54 n GLU 4 N -4.54 0.47 -0.06 4.77 0.00 -1.26 -1.33 120.64 118.69 2k54 n GLU 4 Ca 0.02 0.04 -0.12 0.00 0.00 0.00 0.00 57.16 57.11 2k54 n GLU 4 Cb 0.15 -1.50 -0.14 0.00 0.00 0.00 0.00 31.44 29.94 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 -1.12 1.55 0.08 3.84 2.08 -0.83 -4.33 119.36 120.63 2k54 n ILE 5 Ca 0.12 -0.77 -0.11 0.00 0.56 0.00 0.00 62.75 62.56 2k54 n ILE 5 Cb 0.10 -0.99 -0.13 0.00 -0.75 0.00 0.00 39.64 37.87 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 0.12 -0.16 0.38 5.08 -1.01 -3.36 114.58 115.63 2k54 h GLU 6 Ca -0.43 -0.20 0.02 0.00 -1.00 0.00 0.00 59.36 57.75 2k54 h GLU 6 Cb 2.08 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 31.39 2k54 h GLU 6 CO 0.04 1.09 0.02 -0.07 -1.00 0.00 0.00 179.01 179.10 2k54 h LEU 7 N 0.03 -0.02 0.36 1.33 3.38 -1.40 -0.68 115.31 118.32 2k54 h LEU 7 Ca -0.06 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2k54 h LEU 7 Cb 1.85 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 42.62 2k54 h LEU 7 CO 0.16 0.02 -0.43 1.55 0.09 0.00 0.00 178.44 179.83 2k54 h PRO 8 N 0.08 -0.77 0.00 1.13 0.13 -1.77 -2.72 132.00 128.08 2k54 h PRO 8 Ca 0.07 0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 65.24 2k54 h PRO 8 Cb 0.07 0.17 -0.00 0.00 0.13 0.00 0.00 31.00 31.38 2k54 h PRO 8 CO -0.11 -0.51 -0.05 -0.39 -0.23 0.00 0.00 178.00 176.71 2k54 h VAL 9 N -0.80 0.29 0.21 1.56 -1.51 -1.69 -1.50 116.25 112.81 2k54 h VAL 9 Ca -0.04 -0.33 -0.01 0.00 -1.23 0.00 0.00 66.70 65.08 2k54 h VAL 9 Cb 0.71 1.25 0.00 0.00 -2.13 0.00 0.00 31.29 31.12 2k54 h VAL 9 CO -0.09 0.05 -0.10 -0.61 -1.23 0.00 0.00 177.57 175.59 2k54 h GLN 10 N 0.00 -0.27 -0.26 5.19 -0.00 -1.05 -2.84 115.11 115.88 2k54 h GLN 10 Ca -0.00 0.02 -0.15 0.00 -0.00 0.00 0.00 58.65 58.51 2k54 h GLN 10 Cb 0.25 0.06 -0.01 0.00 0.00 0.00 0.00 27.48 27.78 2k54 h GLN 10 CO 0.01 0.10 -0.46 0.87 0.00 0.00 0.00 178.83 179.35 2k54 h LYS 11 N -0.92 0.67 -0.62 1.69 1.79 -1.14 -2.90 116.57 115.15 2k54 h LYS 11 Ca -0.03 -0.38 -0.08 0.00 -2.18 0.00 0.00 60.65 57.98 2k54 h LYS 11 Cb 0.49 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.14 2k54 h LYS 11 CO 0.05 0.99 0.06 1.96 -1.08 0.00 0.00 179.45 181.43 2k54 h GLN 12 N 0.54 1.04 -0.03 3.15 4.20 -1.44 -1.34 115.11 121.23 2k54 h GLN 12 Ca 0.03 -0.29 0.02 0.00 0.06 0.00 0.00 58.65 58.47 2k54 h GLN 12 Cb 1.01 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.65 2k54 h GLN 12 CO 0.09 0.98 -0.07 1.25 -0.67 0.00 0.00 178.83 180.42 2k54 h LEU 13 N 0.97 -0.20 0.02 1.46 5.85 -1.32 0.13 115.31 122.23 2k54 h LEU 13 Ca 0.18 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.96 2k54 h LEU 13 Cb 0.48 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 2k54 h LEU 13 CO 0.02 -0.10 -0.15 -0.33 -0.34 0.00 0.00 178.44 177.54 2k54 h GLU 14 N -0.10 -0.26 0.00 1.25 4.39 -1.42 -2.63 114.58 115.81 2k54 h GLU 14 Ca 0.04 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 2k54 h GLU 14 Cb 0.15 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2k54 h GLU 14 CO -0.09 -0.17 -0.04 0.00 -1.16 0.00 0.00 179.01 177.55 2k54 h ALA 15 N 0.65 1.73 -0.31 3.43 0.00 -0.98 0.16 119.26 123.95 2k54 h ALA 15 Ca 0.04 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 2k54 h ALA 15 Cb 0.32 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2k54 h ALA 15 CO -0.13 0.05 -0.51 -0.92 0.00 0.00 0.00 179.25 177.73 2k54 h TYR 16 N 0.00 1.09 0.00 0.00 3.20 -0.36 -0.35 116.97 120.56 2k54 h TYR 16 Ca -0.00 -0.37 0.00 0.00 3.14 0.00 0.00 58.73 61.49 2k54 h TYR 16 Cb 0.07 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.13 2k54 h TYR 16 CO 0.00 1.20 -1.25 0.27 -1.64 0.00 0.00 178.16 176.75 2k54 n ASN 17 N -4.02 0.55 -0.39 -2.11 0.23 -0.95 -4.14 115.26 104.44 2k54 n ASN 17 Ca -0.04 0.02 0.13 0.00 -0.53 0.00 0.00 54.58 54.16 2k54 n ASN 17 Cb 0.61 0.95 0.32 0.00 -2.08 0.00 0.00 39.78 39.58 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 -2.05 3.02 -2.04 -2.53 0.00 0.54 -4.91 120.51 112.54 2k54 n ALA 18 Ca -0.00 -0.48 -0.10 0.00 0.00 0.00 0.00 53.44 52.86 2k54 n ALA 18 Cb 0.51 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 18.89 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 -0.22 -0.75 -3.53 0.00 5.12 -0.62 -4.99 116.66 111.68 2k54 n ARG 19 Ca 0.13 0.52 -0.41 0.00 -1.93 0.00 0.00 57.85 56.16 2k54 n ARG 19 Cb 0.39 -4.53 -0.11 0.00 -1.16 0.00 0.00 32.46 27.05 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 -2.62 5.98 0.15 0.55 1.01 -0.24 -4.95 116.67 116.56 2k54 s ASP 20 Ca 0.00 -0.68 0.05 0.00 0.71 0.00 0.00 52.55 52.63 2k54 s ASP 20 Cb 0.00 -2.12 -0.06 0.00 1.01 0.00 0.00 42.92 41.75 2k54 s ASP 20 CO 0.00 -0.33 1.35 0.40 0.21 0.00 0.00 175.17 176.80 2k54 h ILE 21 N 5.61 1.58 -0.35 0.77 1.08 -1.96 -3.15 117.51 121.08 2k54 h ILE 21 Ca -0.29 -2.91 0.05 0.00 -0.39 0.00 0.00 64.86 61.33 2k54 h ILE 21 Cb 1.14 2.62 -0.05 0.00 -3.07 0.00 0.00 36.82 37.45 2k54 h ILE 21 CO 0.67 0.84 0.06 0.44 -0.69 0.00 0.00 178.15 179.47 2k54 h ASP 22 N 0.04 -0.02 0.96 1.72 3.32 -1.96 0.16 116.42 120.64 2k54 h ASP 22 Ca -0.03 0.06 -0.21 0.00 0.02 0.00 0.00 57.03 56.87 2k54 h ASP 22 Cb 1.59 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 41.20 2k54 h ASP 22 CO 0.13 0.03 -1.07 0.00 -1.72 0.00 0.00 179.24 176.60 2k54 h ALA 23 N 1.27 0.43 0.00 3.45 0.00 -1.93 0.59 119.26 123.08 2k54 h ALA 23 Ca 0.17 -0.96 0.00 0.00 0.00 0.00 0.00 54.91 54.12 2k54 h ALA 23 Cb 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2k54 h ALA 23 CO -0.24 1.25 0.00 0.34 0.00 0.00 0.00 179.25 180.61 2k54 n PHE 24 N -3.29 0.00 0.00 0.00 7.35 -0.93 -3.12 117.46 117.47 2k54 n PHE 24 Ca -0.02 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.67 2k54 n PHE 24 Cb 0.94 -0.41 0.00 0.00 0.35 0.00 0.00 39.48 40.36 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 -1.41 3.14 0.03 -4.13 1.56 0.52 -4.84 117.12 111.99 2k54 n MET 25 Ca 0.07 0.00 0.09 0.00 -0.27 0.00 0.00 57.70 57.58 2k54 n MET 25 Cb 0.19 -0.73 0.52 0.00 2.15 0.00 0.00 33.22 35.35 2k54 n MET 25 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2k54 h ALA 26 N 0.00 1.93 -0.59 -5.12 0.00 -0.81 -2.70 119.26 111.97 2k54 h ALA 26 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2k54 h ALA 26 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2k54 h ALA 26 CO 0.00 0.01 0.00 0.91 0.00 0.00 0.00 179.25 180.17 2k54 n TRP 27 N -4.48 0.78 -3.62 0.00 7.02 -1.26 -4.97 117.44 110.91 2k54 n TRP 27 Ca 0.04 -0.49 -0.29 0.00 -1.02 0.00 0.00 57.50 55.75 2k54 n TRP 27 Cb 0.20 -0.01 -0.04 0.00 -2.42 0.00 0.00 31.31 29.05 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 -1.01 3.48 0.45 -5.99 0.52 -1.02 -1.78 118.94 113.58 2k54 s TRP 28 Ca 0.40 0.46 -0.20 0.00 0.02 0.00 0.00 56.10 56.78 2k54 s TRP 28 Cb 0.21 -1.95 -0.10 0.00 -1.15 0.00 0.00 33.47 30.48 2k54 s TRP 28 CO 0.27 0.36 0.96 0.00 0.02 0.00 0.00 176.95 178.56 2k54 s ALA 29 N -1.85 3.05 0.46 0.98 0.00 -0.44 -4.64 121.76 119.32 2k54 s ALA 29 Ca 0.40 0.34 0.13 0.00 0.00 0.00 0.00 51.96 52.83 2k54 s ALA 29 Cb -0.11 -3.14 1.04 0.00 0.00 0.00 0.00 23.12 20.91 2k54 s ALA 29 CO 0.28 0.03 2.05 0.22 0.00 0.00 0.00 175.76 178.34 2k54 h ASP 30 N 1.65 0.13 -0.51 0.00 3.58 -1.97 -2.24 116.42 117.05 2k54 h ASP 30 Ca -0.48 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 56.95 2k54 h ASP 30 Cb 1.18 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.20 2k54 h ASP 30 CO 0.61 0.18 0.00 0.47 -2.88 0.00 0.00 179.24 177.62 2k54 n ASP 31 N -4.43 5.28 -4.66 2.28 8.00 -1.26 -1.65 116.55 120.12 2k54 n ASP 31 Ca -0.01 -2.93 -0.42 0.00 0.71 0.00 0.00 54.79 52.14 2k54 n ASP 31 Cb 0.16 -0.65 -0.03 0.00 -0.02 0.00 0.00 41.12 40.58 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 4.59 4.53 -0.15 0.00 -1.52 -1.00 -1.19 119.66 124.92 2k54 s GLN 33 Ca 0.89 1.24 -0.02 0.00 -1.95 0.00 0.00 55.36 55.52 2k54 s GLN 33 Cb -0.42 -2.85 0.05 0.00 -0.22 0.00 0.00 33.01 29.57 2k54 s GLN 33 CO 0.41 0.32 0.02 -0.47 -0.25 0.00 0.00 175.29 175.32 2k54 s TYR 34 N -1.57 0.91 0.20 0.91 5.04 0.66 -0.60 117.35 122.90 2k54 s TYR 34 Ca 0.48 -0.62 0.10 0.00 -2.44 0.00 0.00 57.07 54.59 2k54 s TYR 34 Cb -0.19 -0.95 -0.04 0.00 0.35 0.00 0.00 41.96 41.13 2k54 s TYR 34 CO 0.24 -0.51 -0.13 0.71 -1.34 0.00 0.00 175.55 174.52 2k54 s TYR 35 N 1.90 2.54 0.28 4.97 1.51 -0.37 -1.08 117.35 127.10 2k54 s TYR 35 Ca 0.01 -0.26 0.11 0.00 -1.01 0.00 0.00 57.07 55.93 2k54 s TYR 35 Cb -0.15 -1.23 -0.05 0.00 -0.11 0.00 0.00 41.96 40.42 2k54 s TYR 35 CO -0.07 0.53 -0.14 0.00 -1.11 0.00 0.00 175.55 174.76 2k54 s ALA 36 N -1.79 2.87 0.27 3.71 0.00 -0.68 -2.44 121.76 123.70 2k54 s ALA 36 Ca 0.25 -1.81 -0.30 0.00 0.00 0.00 0.00 51.96 50.09 2k54 s ALA 36 Cb -0.08 -0.41 -0.13 0.00 0.00 0.00 0.00 23.12 22.49 2k54 s ALA 36 CO 0.14 0.28 1.38 1.97 0.00 0.00 0.00 175.76 179.53 2k54 n PHE 37 N -0.70 2.23 0.09 0.00 -1.74 -0.50 -1.55 117.46 115.29 2k54 n PHE 37 Ca -0.05 0.46 -0.22 0.00 -0.56 0.00 0.00 57.45 57.07 2k54 n PHE 37 Cb 0.60 -2.45 -0.13 0.00 1.52 0.00 0.00 39.48 39.02 2k54 n PHE 37 CO 0.00 0.00 0.00 -1.00 -0.56 0.00 0.00 176.76 175.20 2k54 h PRO 38 N 3.73 0.62 0.00 3.97 0.13 -2.00 -3.42 132.00 135.02 2k54 h PRO 38 Ca -0.45 -0.82 -0.20 0.00 -0.87 0.00 0.00 66.00 63.65 2k54 h PRO 38 Cb 1.28 0.27 -0.14 0.00 0.13 0.00 0.00 31.00 32.53 2k54 h PRO 38 CO 0.72 1.37 -0.40 0.00 -0.23 0.00 0.00 178.00 179.46 2k54 n ALA 39 N -2.68 -1.56 -3.16 -0.56 0.00 -0.90 -5.07 120.51 106.58 2k54 n ALA 39 Ca -0.14 -1.25 -0.36 0.00 0.00 0.00 0.00 53.44 51.69 2k54 n ALA 39 Cb 0.97 -1.59 -0.13 0.00 0.00 0.00 0.00 19.45 18.71 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 0.48 4.09 -0.65 0.00 2.01 -0.59 -4.96 115.64 116.02 2k54 s THR 40 Ca 0.28 -0.30 -0.26 0.00 0.31 0.00 0.00 61.69 61.72 2k54 s THR 40 Cb 0.25 -2.93 0.04 0.00 0.01 0.00 0.00 72.50 69.86 2k54 s THR 40 CO -0.17 0.32 1.14 -0.22 -0.69 0.00 0.00 174.62 174.99 2k54 s LEU 41 N 1.57 3.64 -0.07 4.42 0.20 -1.26 -1.68 118.68 125.49 2k54 s LEU 41 Ca 0.06 -0.38 -0.22 0.00 0.69 0.00 0.00 54.13 54.28 2k54 s LEU 41 Cb -0.15 -2.74 -0.30 0.00 -0.43 0.00 0.00 46.19 42.57 2k54 s LEU 41 CO 0.02 -1.56 0.80 -0.07 -0.29 0.00 0.00 176.35 175.25 2k54 h LEU 42 N 12.05 0.39 -7.28 -0.68 -0.00 -1.47 -3.47 115.31 114.84 2k54 h LEU 42 Ca -0.27 -0.93 -0.32 0.00 -0.00 0.00 0.00 57.88 56.36 2k54 h LEU 42 Cb 1.06 -0.13 -0.37 0.00 -0.00 0.00 0.00 40.66 41.22 2k54 h LEU 42 CO 1.20 1.39 -0.68 0.00 -0.00 0.00 0.00 178.44 180.36 2k54 s ALA 43 N -2.41 -0.00 -0.38 1.53 0.00 -1.10 -5.00 121.76 114.40 2k54 s ALA 43 Ca -0.16 0.41 0.05 0.00 0.00 0.00 0.00 51.96 52.26 2k54 s ALA 43 Cb 0.01 -0.73 0.59 0.00 0.00 0.00 0.00 23.12 22.99 2k54 s ALA 43 CO 0.80 -0.53 1.73 0.41 0.00 0.00 0.00 175.76 178.17 2k54 n GLY 44 N 5.30 3.85 0.00 0.00 0.00 -1.26 -0.24 105.19 112.84 2k54 n GLY 44 Ca -0.04 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.62 0.00 0.12 1.61 0.23 -0.33 -4.59 115.26 111.68 2k54 n ASN 45 Ca 0.45 0.00 0.05 0.00 -0.53 0.00 0.00 54.58 54.56 2k54 n ASN 45 Cb 1.41 0.00 0.51 0.00 -2.08 0.00 0.00 39.78 39.62 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 1.81 0.18 -2.53 0.00 -1.40 -3.05 119.26 114.27 2k54 h ALA 46 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2k54 h ALA 46 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2k54 h ALA 46 CO 0.00 0.17 -0.08 0.00 0.00 0.00 0.00 179.25 179.33 2k54 h ALA 47 N 1.84 -0.24 0.00 0.00 0.00 -1.92 -2.31 119.26 116.64 2k54 h ALA 47 Ca 0.07 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 2k54 h ALA 47 Cb 0.01 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2k54 h ALA 47 CO -0.01 -0.62 -0.42 0.93 0.00 0.00 0.00 179.25 179.13 2k54 h GLU 48 N -0.26 0.00 0.17 0.00 5.08 -1.94 -2.57 114.58 115.06 2k54 h GLU 48 Ca -0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2k54 h GLU 48 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2k54 h GLU 48 CO 0.04 0.42 -0.08 0.82 -1.00 0.00 0.00 179.01 179.21 2k54 h ILE 49 N 0.00 0.91 -0.49 3.13 2.04 -1.46 -2.88 117.51 118.76 2k54 h ILE 49 Ca -0.00 -0.40 -0.11 0.00 1.00 0.00 0.00 64.86 65.34 2k54 h ILE 49 Cb 0.79 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 2k54 h ILE 49 CO 0.05 0.09 -0.14 0.08 0.00 0.00 0.00 178.15 178.24 2k54 h ARG 50 N -0.43 0.92 -0.08 2.37 -0.00 -1.28 -2.75 114.38 113.12 2k54 h ARG 50 Ca -0.02 -0.34 0.01 0.00 -0.00 0.00 0.00 59.98 59.62 2k54 h ARG 50 Cb 0.33 -0.06 -0.01 0.00 -0.00 0.00 0.00 29.97 30.24 2k54 h ARG 50 CO 0.04 1.00 0.04 0.28 -0.00 0.00 0.00 179.97 181.32 2k54 h VAL 51 N 0.82 0.99 0.00 0.08 2.07 -1.49 0.11 116.25 118.82 2k54 h VAL 51 Ca 0.13 -0.03 -0.09 0.00 0.82 0.00 0.00 66.70 67.53 2k54 h VAL 51 Cb 0.68 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 2k54 h VAL 51 CO 0.05 0.02 -0.42 -0.09 0.02 0.00 0.00 177.57 177.14 2k54 h ARG 52 N 0.08 0.00 0.00 1.57 2.43 -1.50 -2.38 114.38 114.59 2k54 h ARG 52 Ca 0.03 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 59.02 2k54 h ARG 52 Cb 0.01 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 2k54 h ARG 52 CO -0.03 0.42 -0.88 0.45 -1.51 0.00 0.00 179.97 178.43 2k54 h HIS 53 N 0.00 0.00 -0.48 2.20 3.86 -1.17 -3.27 115.15 116.29 2k54 h HIS 53 Ca -0.00 0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.27 2k54 h HIS 53 Cb 0.78 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.19 2k54 h HIS 53 CO 0.00 0.88 0.17 0.82 0.86 0.00 0.00 177.93 180.65 2k54 h ILE 54 N 0.00 0.84 -0.81 2.45 2.04 -0.25 0.10 117.51 121.88 2k54 h ILE 54 Ca -0.01 -0.12 0.07 0.00 1.00 0.00 0.00 64.86 65.81 2k54 h ILE 54 Cb 1.57 0.47 -0.06 0.00 -0.74 0.00 0.00 36.82 38.05 2k54 h ILE 54 CO 0.11 0.06 0.48 -0.33 0.00 0.00 0.00 178.15 178.47 2k54 h GLU 55 N 0.34 0.83 -0.05 2.37 5.08 -1.63 -1.56 114.58 119.96 2k54 h GLU 55 Ca 0.23 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.42 2k54 h GLU 55 Cb 0.24 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2k54 h GLU 55 CO -0.24 0.55 -0.52 -0.09 -1.00 0.00 0.00 179.01 177.72 2k54 h ARG 56 N 0.85 0.14 0.00 2.33 9.65 -1.39 -2.42 114.38 123.54 2k54 h ARG 56 Ca 0.37 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 59.17 2k54 h ARG 56 Cb 0.24 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.82 2k54 h ARG 56 CO -0.20 0.62 0.00 1.19 2.80 0.00 0.00 179.97 184.38 2k54 n PHE 57 N -3.93 0.80 1.21 2.20 3.01 -0.06 -1.96 117.46 118.73 2k54 n PHE 57 Ca -0.02 0.27 0.13 0.00 1.01 0.00 0.00 57.45 58.84 2k54 n PHE 57 Cb 0.54 -0.93 0.32 0.00 -0.01 0.00 0.00 39.48 39.40 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 -2.19 0.88 -3.82 -1.08 4.76 -0.68 -4.90 118.16 111.13 2k54 n LYS 58 Ca 0.04 -0.56 -0.36 0.00 -2.87 0.00 0.00 58.31 54.56 2k54 n LYS 58 Cb 0.34 -1.49 -0.12 0.00 -1.84 0.00 0.00 35.03 31.92 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 -2.50 3.73 0.53 1.97 2.12 -0.83 -5.02 118.70 118.69 2k54 s GLU 59 Ca 0.23 -0.45 0.34 0.00 0.36 0.00 0.00 54.97 55.46 2k54 s GLU 59 Cb 0.19 -3.31 1.54 0.00 0.26 0.00 0.00 34.13 32.81 2k54 s GLU 59 CO 0.53 -0.09 2.02 -1.00 -0.54 0.00 0.00 175.26 176.18 2k54 h PRO 60 N 7.92 0.00 0.00 4.30 0.13 -1.91 -2.95 132.00 139.50 2k54 h PRO 60 Ca -0.37 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.70 2k54 h PRO 60 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2k54 h PRO 60 CO 0.60 0.00 -0.27 0.38 -0.23 0.00 0.00 178.00 178.48 2k54 h ASP 61 N 0.00 0.00 -2.12 1.44 2.03 -1.90 -3.44 116.42 112.43 2k54 h ASP 61 Ca 0.00 0.00 -0.60 0.00 -0.73 0.00 0.00 57.03 55.70 2k54 h ASP 61 Cb 0.36 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 38.88 2k54 h ASP 61 CO 0.00 0.27 1.12 -0.11 -1.03 0.00 0.00 179.24 179.49 2k54 n LEU 62 N -3.41 3.60 -3.72 0.15 7.94 -1.12 -4.32 117.00 116.13 2k54 n LEU 62 Ca 0.00 0.96 -0.14 0.00 -1.11 0.00 0.00 56.01 55.73 2k54 n LEU 62 Cb 0.47 -1.41 -0.09 0.00 0.53 0.00 0.00 43.42 42.92 2k54 n LEU 62 CO 0.34 -0.00 0.11 -0.47 -1.11 0.00 0.00 177.39 176.26 2k54 s TYR 63 N 3.98 -0.39 -0.27 1.96 5.04 -1.25 -4.97 117.35 121.45 2k54 s TYR 63 Ca 0.91 0.86 -0.00 0.00 -2.44 0.00 0.00 57.07 56.40 2k54 s TYR 63 Cb -0.63 0.16 0.08 0.00 0.35 0.00 0.00 41.96 41.92 2k54 s TYR 63 CO 0.49 -0.32 0.03 0.20 -1.34 0.00 0.00 175.55 174.61 2k54 s GLY 64 N -0.42 1.16 -0.44 8.97 0.00 -1.26 -2.04 107.32 113.28 2k54 s GLY 64 Ca -0.06 -1.47 -0.14 0.00 0.00 0.00 0.00 44.72 43.05 2k54 s GLY 64 CO 0.03 1.29 0.33 1.85 0.00 0.00 0.00 173.10 176.60 2k54 s GLU 65 N 1.52 2.92 0.06 2.90 2.12 -0.94 -4.76 118.70 122.51 2k54 s GLU 65 Ca 0.03 -1.23 -0.30 0.00 0.36 0.00 0.00 54.97 53.83 2k54 s GLU 65 Cb -0.18 -4.00 -0.05 0.00 0.26 0.00 0.00 34.13 30.16 2k54 s GLU 65 CO -0.14 -0.90 1.02 -1.17 -0.54 0.00 0.00 175.26 173.53 2k54 s LEU 66 N 1.62 4.41 -0.07 2.70 2.96 -1.26 -0.78 118.68 128.26 2k54 s LEU 66 Ca 0.04 1.80 0.07 0.00 -0.22 0.00 0.00 54.13 55.82 2k54 s LEU 66 Cb -0.22 -3.58 -0.10 0.00 0.50 0.00 0.00 46.19 42.79 2k54 s LEU 66 CO 0.07 -0.24 0.05 0.00 -1.32 0.00 0.00 176.35 174.91 2k54 n LEU 67 N 3.47 0.00 -3.63 -0.68 -0.00 -1.02 -4.97 117.00 110.18 2k54 n LEU 67 Ca 0.05 0.00 -0.15 0.00 -0.00 0.00 0.00 56.01 55.91 2k54 n LEU 67 Cb 0.49 0.17 -0.07 0.00 -0.00 0.00 0.00 43.42 44.01 2k54 n LEU 67 CO 0.53 0.17 0.33 -0.89 -0.00 0.00 0.00 177.39 177.53 2k54 s THR 68 N -2.25 0.01 -0.03 1.47 2.01 -1.03 -5.09 115.64 110.73 2k54 s THR 68 Ca -0.04 -0.04 -0.03 0.00 0.31 0.00 0.00 61.69 61.89 2k54 s THR 68 Cb 0.03 -0.89 0.01 0.00 0.01 0.00 0.00 72.50 71.66 2k54 s THR 68 CO 0.34 -0.02 0.08 0.00 -0.69 0.00 0.00 174.62 174.32 2k54 s ARG 69 N -0.24 0.09 0.03 4.92 1.70 -1.26 -0.81 118.95 123.38 2k54 s ARG 69 Ca -0.04 0.11 0.07 0.00 -0.47 0.00 0.00 55.73 55.40 2k54 s ARG 69 Cb -0.03 0.03 -0.02 0.00 -0.57 0.00 0.00 34.95 34.36 2k54 s ARG 69 CO 0.04 -0.02 -0.21 0.14 -1.08 0.00 0.00 175.30 174.17 2k54 s VAL 70 N 0.09 1.70 -0.09 4.99 -7.23 -0.58 -5.00 120.40 114.28 2k54 s VAL 70 Ca -0.00 -1.14 0.03 0.00 -1.81 0.00 0.00 61.98 59.05 2k54 s VAL 70 Cb -0.01 -1.46 -0.02 0.00 0.56 0.00 0.00 36.38 35.45 2k54 s VAL 70 CO -0.00 0.28 -0.17 -0.51 -0.31 0.00 0.00 175.10 174.39 2k54 s ILE 71 N -0.73 2.76 -0.39 -0.62 2.07 -1.26 -0.95 121.20 122.08 2k54 s ILE 71 Ca 0.08 -0.80 0.02 0.00 -1.41 0.00 0.00 60.65 58.54 2k54 s ILE 71 Cb -0.09 -2.10 0.11 0.00 0.13 0.00 0.00 42.46 40.52 2k54 s ILE 71 CO 0.01 0.56 0.15 -0.69 -1.91 0.00 0.00 174.94 173.06 2k54 s VAL 72 N -0.08 1.63 0.00 4.00 1.01 0.15 -5.01 120.40 122.10 2k54 s VAL 72 Ca -0.03 -2.25 0.00 0.00 0.00 0.00 0.00 61.98 59.69 2k54 s VAL 72 Cb -0.14 -2.18 0.00 0.00 0.00 0.00 0.00 36.38 34.06 2k54 s VAL 72 CO 0.04 -0.74 0.00 0.61 0.00 0.00 0.00 175.10 175.01 2k54 n GLY 73 N 4.06 0.70 1.25 4.51 0.00 -1.26 -1.44 105.19 113.01 2k54 n GLY 73 Ca 0.04 0.53 0.08 0.00 0.00 0.00 0.00 46.02 46.66 2k54 n GLY 73 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k54 n ASN 74 N 9.22 4.44 -4.02 1.61 6.94 -1.26 -4.74 115.26 127.44 2k54 n ASN 74 Ca 0.00 -2.81 -0.18 0.00 -0.02 0.00 0.00 54.58 51.57 2k54 n ASN 74 Cb 0.00 -0.56 -0.14 0.00 -2.36 0.00 0.00 39.78 36.72 2k54 n ASN 74 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2k54 s VAL 75 N -2.48 0.70 -0.03 3.53 1.01 -0.52 -0.66 120.40 121.94 2k54 s VAL 75 Ca 0.45 -0.42 0.05 0.00 0.00 0.00 0.00 61.98 62.06 2k54 s VAL 75 Cb 0.34 -0.59 -0.01 0.00 0.00 0.00 0.00 36.38 36.12 2k54 s VAL 75 CO 0.14 0.16 -0.18 -0.69 0.00 0.00 0.00 175.10 174.53 2k54 s VAL 76 N -0.27 1.45 -0.41 2.92 1.01 -0.62 -0.67 120.40 123.80 2k54 s VAL 76 Ca 0.03 -0.76 -0.15 0.00 0.00 0.00 0.00 61.98 61.10 2k54 s VAL 76 Cb -0.04 -1.22 0.02 0.00 0.00 0.00 0.00 36.38 35.14 2k54 s VAL 76 CO -0.00 0.41 0.31 -0.63 0.00 0.00 0.00 175.10 175.19 2k54 s ILE 77 N -0.22 5.25 -0.49 2.22 1.01 -0.13 -1.16 121.20 127.69 2k54 s ILE 77 Ca 0.02 -0.65 -0.23 0.00 0.00 0.00 0.00 60.65 59.80 2k54 s ILE 77 Cb -0.09 -3.93 0.04 0.00 0.01 0.00 0.00 42.46 38.48 2k54 s ILE 77 CO 0.01 -0.31 0.81 -1.81 0.00 0.00 0.00 174.94 173.63 2k54 s ASP 78 N 1.69 6.36 -0.43 3.58 1.11 -0.36 -1.52 116.67 127.09 2k54 s ASP 78 Ca 0.05 -0.31 -0.16 0.00 0.18 0.00 0.00 52.55 52.31 2k54 s ASP 78 Cb -0.19 -2.39 0.03 0.00 1.07 0.00 0.00 42.92 41.45 2k54 s ASP 78 CO 0.10 -1.01 0.39 -2.28 1.18 0.00 0.00 175.17 173.55 2k54 s HIS 79 N 3.40 3.20 0.27 4.23 2.46 0.01 -1.28 115.29 127.59 2k54 s HIS 79 Ca 0.28 -0.58 0.07 0.00 0.47 0.00 0.00 55.06 55.30 2k54 s HIS 79 Cb -0.13 -2.88 -0.06 0.00 -0.13 0.00 0.00 32.58 29.39 2k54 s HIS 79 CO 0.20 -0.70 -0.09 -1.83 -2.47 0.00 0.00 174.74 169.85 2k54 s GLU 80 N 1.89 1.54 -0.39 2.88 4.04 -0.83 -2.43 118.70 125.40 2k54 s GLU 80 Ca 0.08 -1.76 -0.08 0.00 0.04 0.00 0.00 54.97 53.25 2k54 s GLU 80 Cb -0.19 -1.23 0.07 0.00 0.02 0.00 0.00 34.13 32.79 2k54 s GLU 80 CO 0.11 0.09 0.20 0.99 -1.84 0.00 0.00 175.26 174.81 2k54 s THR 81 N -2.94 4.00 -0.04 1.83 2.01 0.04 -0.86 115.64 119.68 2k54 s THR 81 Ca 0.29 -1.36 -0.19 0.00 0.31 0.00 0.00 61.69 60.73 2k54 s THR 81 Cb 0.02 -3.41 -0.05 0.00 0.01 0.00 0.00 72.50 69.07 2k54 s THR 81 CO 0.12 -0.41 0.53 0.68 -0.69 0.00 0.00 174.62 174.84 2k54 s VAL 82 N 1.39 5.02 -0.01 3.82 -7.23 -0.52 -2.21 120.40 120.66 2k54 s VAL 82 Ca 0.02 1.09 -0.30 0.00 -1.81 0.00 0.00 61.98 60.98 2k54 s VAL 82 Cb -0.22 -3.86 -0.04 0.00 0.56 0.00 0.00 36.38 32.83 2k54 s VAL 82 CO 0.02 0.41 1.13 -0.89 -0.31 0.00 0.00 175.10 175.46 2k54 s THR 83 N -0.05 4.38 0.22 5.32 2.01 -0.87 -0.63 115.64 126.03 2k54 s THR 83 Ca 0.28 1.70 0.07 0.00 0.31 0.00 0.00 61.69 64.06 2k54 s THR 83 Cb -0.17 -4.09 -0.05 0.00 0.01 0.00 0.00 72.50 68.20 2k54 s THR 83 CO 0.14 0.07 -0.11 -0.13 -0.69 0.00 0.00 174.62 173.90 2k54 s ARG 84 N 1.54 1.38 -0.66 4.92 0.52 -0.24 -3.93 118.95 122.47 2k54 s ARG 84 Ca 0.55 -1.64 -0.21 0.00 -0.52 0.00 0.00 55.73 53.91 2k54 s ARG 84 Cb -0.25 -1.09 0.08 0.00 0.52 0.00 0.00 34.95 34.22 2k54 s ARG 84 CO 0.25 0.13 0.90 1.21 0.02 0.00 0.00 175.30 177.81 2k54 s ASN 85 N -3.34 6.21 -0.22 0.23 3.04 -1.26 -3.70 114.94 115.89 2k54 s ASN 85 Ca 0.24 -1.20 -0.08 0.00 0.04 0.00 0.00 52.86 51.86 2k54 s ASN 85 Cb 0.01 -2.38 -0.04 0.00 -1.54 0.00 0.00 41.25 37.30 2k54 s ASN 85 CO 0.08 -1.32 0.10 -0.36 -3.04 0.00 0.00 177.10 172.55 2k54 s PHE 86 N 3.56 3.21 -0.11 0.43 0.40 -0.82 -5.01 117.98 119.64 2k54 s PHE 86 Ca 0.20 -0.04 0.27 0.00 -0.60 0.00 0.00 56.93 56.76 2k54 s PHE 86 Cb -0.18 -2.19 1.34 0.00 0.51 0.00 0.00 43.02 42.50 2k54 s PHE 86 CO 0.08 -0.04 1.83 -1.00 0.70 0.00 0.00 175.22 176.78 2k54 h PRO 87 N 7.47 0.00 -0.00 0.24 0.13 -1.96 -2.64 132.00 135.24 2k54 h PRO 87 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2k54 h PRO 87 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2k54 h PRO 87 CO 0.64 0.00 -0.24 -0.85 -0.23 0.00 0.00 178.00 177.32 2k54 n GLU 88 N -2.48 0.13 0.00 0.86 0.00 -1.26 -4.99 120.64 112.90 2k54 n GLU 88 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 57.16 57.11 2k54 n GLU 88 Cb 0.13 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.07 2k54 n GLU 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2k54 n GLY 89 N 1.46 -0.43 0.00 -1.84 0.00 -0.99 -5.05 105.19 98.33 2k54 n GLY 89 Ca 0.08 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 -4.53 118.16 116.98 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 -0.43 0.00 0.00 0.00 0.00 0.00 35.03 34.60 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 2.06 1.90 3.43 3.14 0.00 -1.18 -1.94 105.19 112.61 2k54 n GLY 91 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2k54 n GLY 91 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k54 s GLU 92 N 0.00 3.13 -0.13 1.61 1.03 -1.07 -1.08 118.70 122.18 2k54 s GLU 92 Ca 0.00 -1.02 -0.06 0.00 0.03 0.00 0.00 54.97 53.92 2k54 s GLU 92 Cb 0.00 -4.29 -0.04 0.00 -0.80 0.00 0.00 34.13 29.00 2k54 s GLU 92 CO 0.00 -1.75 0.08 0.14 -1.33 0.00 0.00 175.26 172.41 2k54 s VAL 93 N 3.63 5.01 -0.35 1.83 -7.23 0.20 -4.47 120.40 119.03 2k54 s VAL 93 Ca 0.20 0.03 -0.29 0.00 -1.81 0.00 0.00 61.98 60.11 2k54 s VAL 93 Cb -0.18 -3.18 0.02 0.00 0.56 0.00 0.00 36.38 33.59 2k54 s VAL 93 CO 0.08 0.58 1.12 -1.81 -0.31 0.00 0.00 175.10 174.76 2k54 s ASP 94 N -0.64 6.83 0.22 4.85 1.01 -1.26 -1.44 116.67 126.24 2k54 s ASP 94 Ca 0.12 0.97 0.11 0.00 0.71 0.00 0.00 52.55 54.46 2k54 s ASP 94 Cb -0.12 -2.54 -0.05 0.00 1.01 0.00 0.00 42.92 41.22 2k54 s ASP 94 CO 0.02 -0.98 -0.20 -0.69 0.21 0.00 0.00 175.17 173.53 2k54 s VAL 95 N 3.92 2.52 -0.28 -1.27 1.01 -0.04 -0.56 120.40 125.70 2k54 s VAL 95 Ca 0.48 -2.10 0.02 0.00 0.00 0.00 0.00 61.98 60.37 2k54 s VAL 95 Cb -0.12 -2.25 0.08 0.00 0.00 0.00 0.00 36.38 34.09 2k54 s VAL 95 CO 0.20 -0.21 -0.02 0.00 0.00 0.00 0.00 175.10 175.07 2k54 s ALA 96 N -1.95 2.26 -0.43 5.51 0.00 -0.47 -1.97 121.76 124.70 2k54 s ALA 96 Ca 0.24 -1.77 -0.17 0.00 0.00 0.00 0.00 51.96 50.26 2k54 s ALA 96 Cb -0.07 -1.62 0.03 0.00 0.00 0.00 0.00 23.12 21.46 2k54 s ALA 96 CO 0.12 -1.38 0.43 0.00 0.00 0.00 0.00 175.76 174.93 2k54 s ILE 98 N 2.08 5.22 -0.14 0.00 2.07 0.22 -1.23 121.20 129.42 2k54 s ILE 98 Ca 0.11 -0.29 -0.04 0.00 -1.41 0.00 0.00 60.65 59.02 2k54 s ILE 98 Cb -0.18 -3.71 -0.03 0.00 0.13 0.00 0.00 42.46 38.67 2k54 s ILE 98 CO 0.12 -0.04 -0.02 -0.31 -1.91 0.00 0.00 174.94 172.79 2k54 s TYR 99 N 1.71 3.08 -0.38 3.50 1.51 -0.31 -0.99 117.35 125.48 2k54 s TYR 99 Ca 0.06 -0.12 -0.15 0.00 -1.01 0.00 0.00 57.07 55.84 2k54 s TYR 99 Cb -0.18 -1.93 0.00 0.00 -0.11 0.00 0.00 41.96 39.75 2k54 s TYR 99 CO 0.10 0.12 0.34 -2.00 -1.11 0.00 0.00 175.55 172.99 2k54 s GLU 100 N 0.04 3.30 -0.37 -0.62 2.12 0.16 -1.59 118.70 121.75 2k54 s GLU 100 Ca 0.01 -0.69 -0.17 0.00 0.36 0.00 0.00 54.97 54.48 2k54 s GLU 100 Cb -0.13 -3.88 0.00 0.00 0.26 0.00 0.00 34.13 30.37 2k54 s GLU 100 CO 0.02 -0.64 0.47 0.08 -0.54 0.00 0.00 175.26 174.65 2k54 s VAL 101 N 1.90 5.06 -0.12 3.70 1.01 0.16 -0.86 120.40 131.25 2k54 s VAL 101 Ca 0.09 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.22 2k54 s VAL 101 Cb -0.17 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.26 2k54 s VAL 101 CO 0.11 -0.24 -0.23 -0.70 0.00 0.00 0.00 175.10 174.05 2k54 s GLU 102 N 2.27 3.06 -1.36 2.72 2.12 0.72 -4.64 118.70 123.59 2k54 s GLU 102 Ca 0.16 -0.86 -0.01 0.00 0.36 0.00 0.00 54.97 54.62 2k54 s GLU 102 Cb -0.16 -2.37 0.00 0.00 0.26 0.00 0.00 34.13 31.86 2k54 s GLU 102 CO 0.13 0.11 0.13 0.09 -0.54 0.00 0.00 175.26 175.17 2k54 n ASN 103 N 3.74 -4.95 0.00 -1.70 3.02 -1.26 -2.32 115.26 111.78 2k54 n ASN 103 Ca -0.19 -0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.29 2k54 n ASN 103 Cb 0.52 -3.99 0.00 0.00 -0.61 0.00 0.00 39.78 35.70 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 -1.11 0.67 2.99 7.41 0.00 -1.26 -5.02 105.19 108.87 2k54 n GLY 104 Ca -0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.02 0.64 -0.46 1.61 1.81 -0.98 -4.86 118.95 116.69 2k54 s ARG 105 Ca 0.00 -0.27 -0.27 0.00 -1.72 0.00 0.00 55.73 53.47 2k54 s ARG 105 Cb 0.00 -0.62 -0.02 0.00 -0.45 0.00 0.00 34.95 33.86 2k54 s ARG 105 CO 0.00 0.15 1.87 0.42 -0.68 0.00 0.00 175.30 177.06 2k54 s ILE 106 N -0.12 3.39 0.15 1.52 1.01 -0.73 -0.20 121.20 126.22 2k54 s ILE 106 Ca 0.02 0.33 0.07 0.00 0.00 0.00 0.00 60.65 61.08 2k54 s ILE 106 Cb -0.04 -3.73 -0.17 0.00 0.01 0.00 0.00 42.46 38.53 2k54 s ILE 106 CO -0.00 -0.60 1.35 0.00 0.00 0.00 0.00 174.94 175.68 2k54 h ALA 107 N 14.25 0.47 -2.53 9.38 0.00 -1.25 -1.17 119.26 138.42 2k54 h ALA 107 Ca -0.29 -0.83 -0.11 0.00 0.00 0.00 0.00 54.91 53.67 2k54 h ALA 107 Cb 1.17 -0.14 -0.19 0.00 0.00 0.00 0.00 17.79 18.64 2k54 h ALA 107 CO 1.12 1.13 -0.27 0.15 0.00 0.00 0.00 179.25 181.38 2k54 s LYS 108 N -2.91 0.72 -0.09 0.00 1.02 -1.14 -2.38 119.74 114.97 2k54 s LYS 108 Ca 0.00 -0.34 -0.07 0.00 0.02 0.00 0.00 55.97 55.58 2k54 s LYS 108 Cb 0.10 0.32 0.03 0.00 -0.52 0.00 0.00 37.83 37.76 2k54 s LYS 108 CO 0.81 -0.21 0.23 0.00 -0.92 0.00 0.00 175.35 175.25 2k54 s ALA 109 N -1.88 -0.54 0.05 5.17 0.00 0.23 -0.66 121.76 124.13 2k54 s ALA 109 Ca -0.10 0.71 0.02 0.00 0.00 0.00 0.00 51.96 52.60 2k54 s ALA 109 Cb -0.03 -0.43 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 2k54 s ALA 109 CO 0.01 -0.13 -0.08 -1.58 0.00 0.00 0.00 175.76 173.98 2k54 s TRP 110 N 0.41 0.73 -0.00 0.00 0.51 -0.16 -1.24 118.94 119.19 2k54 s TRP 110 Ca -0.02 -0.54 -0.04 0.00 -2.12 0.00 0.00 56.10 53.39 2k54 s TRP 110 Cb -0.04 -0.43 -0.00 0.00 -0.81 0.00 0.00 33.47 32.18 2k54 s TRP 110 CO -0.02 -0.08 0.07 -0.59 -0.51 0.00 0.00 176.95 175.82 2k54 s PHE 111 N -1.58 0.06 -0.08 -1.98 -0.71 -1.02 -0.61 117.98 112.05 2k54 s PHE 111 Ca -0.07 -0.13 0.01 0.00 -1.04 0.00 0.00 56.93 55.70 2k54 s PHE 111 Cb -0.09 -0.06 0.02 0.00 -1.21 0.00 0.00 43.02 41.68 2k54 s PHE 111 CO 0.00 -0.17 -0.07 -1.59 -1.34 0.00 0.00 175.22 172.05 2k54 s LYS 112 N -0.90 1.30 -0.18 1.99 -2.85 -0.85 -1.41 119.74 116.84 2k54 s LYS 112 Ca -0.10 -0.22 -0.22 0.00 -1.00 0.00 0.00 55.97 54.43 2k54 s LYS 112 Cb -0.06 -1.28 -0.02 0.00 -2.06 0.00 0.00 37.83 34.41 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 1.23 4.98 0.02 3.79 1.01 -1.26 -1.37 121.20 129.59 2k54 s ILE 113 Ca -0.05 1.35 -0.14 0.00 0.00 0.00 0.00 60.65 61.81 2k54 s ILE 113 Cb -0.14 -4.01 -0.08 0.00 0.01 0.00 0.00 42.46 38.24 2k54 s ILE 113 CO -0.02 0.09 1.15 1.23 0.00 0.00 0.00 174.94 177.39 2k54 h GLY 114 N 8.15 -0.54 -2.25 6.18 0.00 -1.19 -3.49 103.07 109.93 2k54 h GLY 114 Ca -0.31 0.20 0.04 0.00 0.00 0.00 0.00 47.33 47.26 2k54 h GLY 114 CO 0.79 -0.20 0.20 -1.83 0.00 0.00 0.00 176.54 175.51 2k54 s GLU 115 N -4.02 1.65 0.27 4.80 -1.05 -1.26 -5.07 118.70 114.02 2k54 s GLU 115 Ca -0.08 -0.88 -0.29 0.00 -0.15 0.00 0.00 54.97 53.57 2k54 s GLU 115 Cb 0.01 0.60 -0.09 0.00 -0.44 0.00 0.00 34.13 34.20 2k54 s GLU 115 CO 0.23 -0.75 1.21 -1.25 0.95 0.00 0.00 175.26 175.65 2k54 s PRO 116 N -3.89 4.49 0.03 -4.83 0.04 -1.26 -4.17 135.00 125.42 2k54 s PRO 116 Ca 0.09 1.97 0.02 0.00 0.04 0.00 0.00 61.00 63.13 2k54 s PRO 116 Cb -0.05 -3.16 -0.02 0.00 0.04 0.00 0.00 34.50 31.31 2k54 s PRO 116 CO 0.02 -0.02 -0.07 1.03 0.04 0.00 0.00 177.00 177.99 2k54 s ARG 117 N -1.14 0.52 -0.02 4.56 1.81 -1.26 -5.02 118.95 118.40 2k54 s ARG 117 Ca 0.49 -0.57 0.01 0.00 -1.72 0.00 0.00 55.73 53.94 2k54 s ARG 117 Cb -0.35 -0.38 0.02 0.00 -0.45 0.00 0.00 34.95 33.79 2k54 s ARG 117 CO 0.43 0.08 -0.02 0.42 -0.68 0.00 0.00 175.30 175.54 2k54 s ILE 118 N -0.92 0.29 0.23 1.52 -1.09 -1.26 -2.61 121.20 117.36 2k54 s ILE 118 Ca -0.05 -0.03 -0.06 0.00 -2.23 0.00 0.00 60.65 58.28 2k54 s ILE 118 Cb -0.07 -0.33 0.19 0.00 -1.58 0.00 0.00 42.46 40.67 2k54 s ILE 118 CO 0.00 0.15 1.75 0.58 -1.23 0.00 0.00 174.94 176.19 2k54 h VAL 119 N 5.90 0.75 0.00 2.92 2.07 -1.92 0.19 116.25 126.16 2k54 h VAL 119 Ca -0.38 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 2k54 h VAL 119 Cb 1.15 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2k54 h VAL 119 CO 0.49 0.09 -0.02 -1.28 0.02 0.00 0.00 177.57 176.86 2k54 h SER 120 N 0.50 0.00 -0.07 0.57 0.87 -1.97 -2.34 113.55 111.11 2k54 h SER 120 Ca 0.37 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 2k54 h SER 120 Cb 0.48 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 2k54 h SER 120 CO -0.33 0.02 0.00 0.00 -0.53 0.00 0.00 176.83 175.99 2k54 n GLN 121 N -3.54 1.12 -4.16 2.24 6.02 -0.47 -5.05 117.38 113.55 2k54 n GLN 121 Ca -0.03 -1.22 -0.23 0.00 -0.01 0.00 0.00 57.00 55.51 2k54 n GLN 121 Cb 0.12 -1.11 -0.05 0.00 1.02 0.00 0.00 30.24 30.22 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 -0.68 2.74 0.00 -1.09 2.20 -0.07 -4.90 119.74 117.94 2k54 s LYS 122 Ca 0.08 -1.11 0.00 0.00 -0.36 0.00 0.00 55.97 54.58 2k54 s LYS 122 Cb 0.05 -2.47 0.00 0.00 -1.51 0.00 0.00 37.83 33.90 2k54 s LYS 122 CO 0.07 0.41 0.00 0.45 -0.36 0.00 0.00 175.35 175.92