#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k45 n LYS 2 N 0.00 -3.01 0.11 5.31 4.01 -1.26 -4.51 118.16 118.81 2k45 n LYS 2 Ca 0.00 2.47 0.13 0.00 -0.51 0.00 0.00 58.31 60.40 2k45 n LYS 2 Cb 0.00 -4.64 0.32 0.00 -0.51 0.00 0.00 35.03 30.19 2k45 n LYS 2 CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 2k45 h LEU 3 N 2.62 0.00 0.00 -0.35 6.46 -1.74 -3.39 115.31 118.91 2k45 h LEU 3 Ca -0.04 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.68 2k45 h LEU 3 Cb 0.09 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.02 2k45 h LEU 3 CO 0.08 0.02 0.00 0.61 -0.62 0.00 0.00 178.44 178.53 2k45 n GLY 4 N 1.28 -1.64 3.28 3.75 0.00 -1.23 -2.90 105.19 107.73 2k45 n GLY 4 Ca 0.05 -1.95 -0.09 0.00 0.00 0.00 0.00 46.02 44.03 2k45 n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k45 s LYS 5 N 0.00 1.01 -0.23 1.61 1.02 -1.23 -2.51 119.74 119.41 2k45 s LYS 5 Ca 0.00 -1.05 -0.01 0.00 0.02 0.00 0.00 55.97 54.92 2k45 s LYS 5 Cb 0.00 0.37 0.07 0.00 -0.52 0.00 0.00 37.83 37.74 2k45 s LYS 5 CO 0.00 -0.35 0.03 -0.48 -0.92 0.00 0.00 175.35 173.62 2k45 s LEU 6 N -2.91 1.77 -0.40 3.17 2.34 0.24 -0.37 118.68 122.52 2k45 s LEU 6 Ca 0.11 -1.08 -0.17 0.00 0.06 0.00 0.00 54.13 53.05 2k45 s LEU 6 Cb 0.04 -0.80 0.01 0.00 -0.56 0.00 0.00 46.19 44.88 2k45 s LEU 6 CO -0.06 -0.31 0.41 -1.10 -1.06 0.00 0.00 176.35 174.23 2k45 s GLN 7 N 1.69 3.24 0.00 1.48 1.11 -0.84 -1.73 119.66 124.61 2k45 s GLN 7 Ca -0.00 -0.66 0.00 0.00 0.01 0.00 0.00 55.36 54.71 2k45 s GLN 7 Cb -0.18 -3.92 0.00 0.00 -1.01 0.00 0.00 33.01 27.91 2k45 s GLN 7 CO -0.11 -0.75 0.00 0.98 0.01 0.00 0.00 175.29 175.42 2k45 n TYR 8 N 5.52 -0.01 -3.90 0.91 9.36 -1.03 -3.38 117.16 124.63 2k45 n TYR 8 Ca -0.08 0.00 -0.19 0.00 3.32 0.00 0.00 57.90 60.96 2k45 n TYR 8 Cb 0.48 0.00 -0.17 0.00 -0.63 0.00 0.00 39.34 39.02 2k45 n TYR 8 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2k45 s SER 9 N 1.95 0.75 -0.01 2.98 0.15 -1.25 -1.21 113.70 117.06 2k45 s SER 9 Ca 0.00 -0.03 0.05 0.00 0.70 0.00 0.00 55.95 56.67 2k45 s SER 9 Cb 0.00 -0.27 -0.01 0.00 -1.71 0.00 0.00 66.02 64.02 2k45 s SER 9 CO 0.00 -0.13 -0.17 -1.48 1.20 0.00 0.00 173.24 172.66 2k45 s LEU 10 N 1.29 2.05 0.00 3.45 2.34 0.26 -3.55 118.68 124.52 2k45 s LEU 10 Ca -0.06 -0.33 0.02 0.00 0.06 0.00 0.00 54.13 53.82 2k45 s LEU 10 Cb -0.13 -0.87 -0.01 0.00 -0.56 0.00 0.00 46.19 44.62 2k45 s LEU 10 CO -0.02 0.20 0.06 -0.67 -1.06 0.00 0.00 176.35 174.86 2k45 n ASP 11 N 2.58 2.21 -4.16 1.48 2.03 -0.74 -0.17 116.55 119.79 2k45 n ASP 11 Ca -0.15 -2.91 -0.32 0.00 0.52 0.00 0.00 54.79 51.93 2k45 n ASP 11 Cb 0.54 0.60 -0.17 0.00 -0.72 0.00 0.00 41.12 41.38 2k45 n ASP 11 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 2k45 s TYR 12 N -2.74 2.61 -0.22 -0.67 1.13 -1.25 0.24 117.35 116.46 2k45 s TYR 12 Ca 0.09 -1.32 -0.22 0.00 -1.41 0.00 0.00 57.07 54.22 2k45 s TYR 12 Cb 0.00 -1.78 -0.02 0.00 -1.10 0.00 0.00 41.96 39.06 2k45 s TYR 12 CO 0.06 -0.60 0.69 0.34 -2.51 0.00 0.00 175.55 173.53 2k45 s ASP 13 N 0.83 6.71 0.05 -0.18 -1.08 -0.43 -4.87 116.67 117.69 2k45 s ASP 13 Ca -0.07 0.87 0.17 0.00 -0.52 0.00 0.00 52.55 53.00 2k45 s ASP 13 Cb -0.15 -2.37 -0.14 0.00 -1.46 0.00 0.00 42.92 38.79 2k45 s ASP 13 CO -0.02 -0.37 0.78 0.33 0.52 0.00 0.00 175.17 176.41 2k45 n PHE 14 N 5.50 0.91 0.52 -5.34 7.35 -1.26 -0.73 117.46 124.40 2k45 n PHE 14 Ca 0.01 0.30 0.06 0.00 -0.76 0.00 0.00 57.45 57.06 2k45 n PHE 14 Cb 0.49 -1.06 0.20 0.00 0.35 0.00 0.00 39.48 39.45 2k45 n PHE 14 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2k45 n GLN 15 N -2.85 2.22 0.00 -4.13 -0.00 -1.26 -1.41 117.38 109.94 2k45 n GLN 15 Ca -0.10 -1.57 0.03 0.00 -0.00 0.00 0.00 57.00 55.35 2k45 n GLN 15 Cb 0.83 -1.44 0.01 0.00 -0.00 0.00 0.00 30.24 29.64 2k45 n GLN 15 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 2k45 n ASN 16 N 0.67 1.12 -3.67 2.61 0.23 -1.25 -5.03 115.26 109.93 2k45 n ASN 16 Ca 0.14 -1.06 -0.30 0.00 -0.53 0.00 0.00 54.58 52.83 2k45 n ASN 16 Cb 0.44 0.32 0.04 0.00 -2.08 0.00 0.00 39.78 38.50 2k45 n ASN 16 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2k45 n ASN 17 N -0.12 -5.06 -4.43 0.53 4.05 -0.19 -4.83 115.26 105.21 2k45 n ASN 17 Ca 0.03 -1.00 -0.22 0.00 0.45 0.00 0.00 54.58 53.85 2k45 n ASN 17 Cb 0.13 -3.48 -0.10 0.00 1.23 0.00 0.00 39.78 37.56 2k45 n ASN 17 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2k45 s GLN 18 N -5.92 1.56 0.11 1.20 -2.07 0.09 -0.76 119.66 113.86 2k45 s GLN 18 Ca 0.44 -1.76 -0.22 0.00 -1.82 0.00 0.00 55.36 52.00 2k45 s GLN 18 Cb -0.15 -1.30 -0.07 0.00 -1.09 0.00 0.00 33.01 30.40 2k45 s GLN 18 CO 0.85 0.12 0.65 -0.51 -1.32 0.00 0.00 175.29 175.09 2k45 s LEU 19 N -3.45 4.55 -0.24 2.60 1.43 -0.42 -1.32 118.68 121.83 2k45 s LEU 19 Ca 0.28 1.41 -0.03 0.00 -1.03 0.00 0.00 54.13 54.77 2k45 s LEU 19 Cb 0.01 -3.06 0.13 0.00 0.03 0.00 0.00 46.19 43.31 2k45 s LEU 19 CO 0.12 0.24 0.38 -0.22 0.23 0.00 0.00 176.35 177.10 2k45 s LEU 20 N -1.08 -0.63 -0.30 1.79 2.96 0.67 -1.07 118.68 121.02 2k45 s LEU 20 Ca 0.32 0.29 -0.01 0.00 -0.22 0.00 0.00 54.13 54.50 2k45 s LEU 20 Cb -0.21 1.13 0.19 0.00 0.50 0.00 0.00 46.19 47.80 2k45 s LEU 20 CO 0.22 -0.29 0.63 -0.69 -1.32 0.00 0.00 176.35 174.89 2k45 s VAL 21 N 2.55 -0.95 -0.23 1.68 1.01 -1.26 -1.78 120.40 121.42 2k45 s VAL 21 Ca 0.12 0.00 -0.16 0.00 0.00 0.00 0.00 61.98 61.94 2k45 s VAL 21 Cb -0.15 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 2k45 s VAL 21 CO -0.15 0.00 0.39 -0.83 0.00 0.00 0.00 175.10 174.51 2k45 s GLY 22 N 2.86 2.01 0.00 4.51 0.00 -1.23 -3.12 107.32 112.35 2k45 s GLY 22 Ca 0.19 -0.62 0.00 0.00 0.00 0.00 0.00 44.72 44.28 2k45 s GLY 22 CO -0.21 0.88 0.00 0.29 0.00 0.00 0.00 173.10 174.06 2k45 n ILE 23 N 4.61 0.00 0.00 0.90 -6.64 -0.88 -3.48 119.36 113.87 2k45 n ILE 23 Ca -0.08 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.90 2k45 n ILE 23 Cb 0.51 -0.04 0.00 0.00 -1.44 0.00 0.00 39.64 38.67 2k45 n ILE 23 CO 0.00 0.00 0.00 -0.38 -1.77 0.00 0.00 176.55 174.40 2k45 n ILE 24 N -0.02 0.00 -3.69 7.28 5.41 -1.22 -2.35 119.36 124.77 2k45 n ILE 24 Ca 0.00 0.01 -0.12 0.00 1.00 0.00 0.00 62.75 63.65 2k45 n ILE 24 Cb 0.00 -0.67 -0.06 0.00 -0.71 0.00 0.00 39.64 38.19 2k45 n ILE 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2k45 s GLN 25 N -0.12 0.92 0.02 0.38 1.03 -1.26 0.33 119.66 120.96 2k45 s GLN 25 Ca 0.00 -0.50 0.02 0.00 0.04 0.00 0.00 55.36 54.92 2k45 s GLN 25 Cb 0.00 0.40 -0.04 0.00 0.03 0.00 0.00 33.01 33.41 2k45 s GLN 25 CO 0.00 -0.32 0.02 0.00 -2.54 0.00 0.00 175.29 172.45 2k45 s ALA 26 N -2.83 3.37 -0.07 2.60 0.00 -1.12 -2.00 121.76 121.71 2k45 s ALA 26 Ca -0.03 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 50.99 2k45 s ALA 26 Cb 0.00 -1.38 0.01 0.00 0.00 0.00 0.00 23.12 21.76 2k45 s ALA 26 CO -0.05 0.67 -0.13 0.00 0.00 0.00 0.00 175.76 176.25 2k45 s ALA 27 N -1.17 1.36 -0.73 0.00 0.00 0.50 -2.98 121.76 118.75 2k45 s ALA 27 Ca 0.22 -0.48 -0.00 0.00 0.00 0.00 0.00 51.96 51.69 2k45 s ALA 27 Cb -0.12 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.37 2k45 s ALA 27 CO 0.13 0.07 0.61 0.39 0.00 0.00 0.00 175.76 176.96 2k45 n GLU 28 N 3.92 -4.04 -3.21 0.00 1.02 -0.51 -3.48 120.64 114.34 2k45 n GLU 28 Ca -0.22 0.51 -0.30 0.00 -0.02 0.00 0.00 57.16 57.14 2k45 n GLU 28 Cb 0.52 -4.53 -0.04 0.00 -0.02 0.00 0.00 31.44 27.37 2k45 n GLU 28 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k45 s LEU 29 N -4.63 4.02 0.46 -4.62 1.43 0.17 -4.29 118.68 111.21 2k45 s LEU 29 Ca 0.02 0.89 -0.24 0.00 -1.03 0.00 0.00 54.13 53.77 2k45 s LEU 29 Cb -0.01 -3.71 -0.09 0.00 0.03 0.00 0.00 46.19 42.41 2k45 s LEU 29 CO 0.44 -0.23 1.26 -2.65 0.23 0.00 0.00 176.35 175.40 2k45 n PRO 30 N -0.87 1.80 -2.66 1.29 -0.02 -1.26 -4.66 135.00 128.62 2k45 n PRO 30 Ca 0.00 0.65 -0.42 0.00 -2.02 0.00 0.00 63.50 61.70 2k45 n PRO 30 Cb 0.54 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.60 2k45 n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k45 s ALA 31 N -1.24 3.35 -0.32 3.55 0.00 -1.26 -4.54 121.76 121.30 2k45 s ALA 31 Ca 0.64 0.46 0.06 0.00 0.00 0.00 0.00 51.96 53.12 2k45 s ALA 31 Cb -0.48 -3.42 0.46 0.00 0.00 0.00 0.00 23.12 19.67 2k45 s ALA 31 CO 0.56 -0.52 1.22 1.28 0.00 0.00 0.00 175.76 178.29 2k45 n LEU 32 N 4.72 5.04 -3.92 0.00 4.32 -0.74 -4.85 117.00 121.56 2k45 n LEU 32 Ca 0.08 -4.77 -0.10 0.00 -0.02 0.00 0.00 56.01 51.21 2k45 n LEU 32 Cb 0.49 -0.38 -0.10 0.00 -1.62 0.00 0.00 43.42 41.81 2k45 n LEU 32 CO 0.52 2.09 -0.23 -0.62 -1.22 0.00 0.00 177.39 177.94 2k45 s ASP 33 N -3.51 0.15 -1.56 -1.43 2.15 -0.14 -3.87 116.67 108.46 2k45 s ASP 33 Ca 0.51 -0.43 -0.11 0.00 0.43 0.00 0.00 52.55 52.96 2k45 s ASP 33 Cb 0.41 0.19 -0.04 0.00 -0.30 0.00 0.00 42.92 43.19 2k45 s ASP 33 CO 0.02 -0.42 2.73 0.23 -0.17 0.00 0.00 175.17 177.56 2k45 n MET 34 N 1.14 3.57 -0.17 4.34 2.81 -1.26 -2.31 117.12 125.24 2k45 n MET 34 Ca -0.21 -2.41 0.00 0.00 -1.81 0.00 0.00 57.70 53.27 2k45 n MET 34 Cb 0.57 -2.90 0.00 0.00 -0.71 0.00 0.00 33.22 30.17 2k45 n MET 34 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2k45 n GLY 35 N 3.55 0.45 3.80 3.03 0.00 -1.26 -4.98 105.19 109.78 2k45 n GLY 35 Ca 0.71 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.45 2k45 n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k45 n GLY 36 N 0.00 -0.50 3.28 -0.02 0.00 -0.98 -4.99 105.19 101.99 2k45 n GLY 36 Ca 0.00 0.21 -0.18 0.00 0.00 0.00 0.00 46.02 46.05 2k45 n GLY 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k45 s THR 37 N -3.33 0.05 0.27 2.61 -4.23 -1.25 -4.85 115.64 104.90 2k45 s THR 37 Ca 0.60 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.14 2k45 s THR 37 Cb -0.29 -2.49 -0.06 0.00 1.34 0.00 0.00 72.50 71.00 2k45 s THR 37 CO 0.80 0.00 0.02 -0.94 -0.54 0.00 0.00 174.62 173.95 2k45 s SER 38 N -3.34 2.09 -0.77 3.99 1.04 -1.26 -0.96 113.70 114.49 2k45 s SER 38 Ca 0.39 -1.28 0.03 0.00 0.48 0.00 0.00 55.95 55.58 2k45 s SER 38 Cb 0.03 -0.04 0.26 0.00 0.10 0.00 0.00 66.02 66.38 2k45 s SER 38 CO 0.24 -0.53 0.92 0.47 0.98 0.00 0.00 173.24 175.31 2k45 n ASP 39 N -0.53 4.42 -4.69 7.02 8.00 -1.25 -1.50 116.55 128.02 2k45 n ASP 39 Ca -0.04 -3.40 -0.40 0.00 0.71 0.00 0.00 54.79 51.66 2k45 n ASP 39 Cb 0.65 -0.85 0.03 0.00 -0.02 0.00 0.00 41.12 40.92 2k45 n ASP 39 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2k45 n PRO 40 N 1.13 1.69 -3.63 -0.24 -0.04 -1.17 -2.89 135.00 129.84 2k45 n PRO 40 Ca 0.28 0.61 -0.03 0.00 -0.04 0.00 0.00 63.50 64.32 2k45 n PRO 40 Cb 0.38 -2.38 -0.05 0.00 -0.04 0.00 0.00 33.50 31.41 2k45 n PRO 40 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 2k45 s TYR 41 N -1.27 -1.18 -0.33 0.54 6.14 -1.06 -1.07 117.35 119.12 2k45 s TYR 41 Ca 0.66 2.16 -0.09 0.00 0.64 0.00 0.00 57.07 60.44 2k45 s TYR 41 Cb -0.47 0.71 0.01 0.00 0.42 0.00 0.00 41.96 42.62 2k45 s TYR 41 CO 0.54 -0.59 0.15 0.54 0.64 0.00 0.00 175.55 176.84 2k45 s VAL 42 N 2.34 4.43 -0.19 3.14 0.11 -1.26 0.16 120.40 129.14 2k45 s VAL 42 Ca -0.07 -0.63 -0.07 0.00 -2.93 0.00 0.00 61.98 58.27 2k45 s VAL 42 Cb -0.09 -3.34 -0.04 0.00 -1.53 0.00 0.00 36.38 31.39 2k45 s VAL 42 CO -0.19 -0.03 0.06 -1.59 -3.33 0.00 0.00 175.10 170.02 2k45 s LYS 43 N 1.56 3.92 -0.15 1.54 -2.85 0.19 -3.37 119.74 120.58 2k45 s LYS 43 Ca 0.03 -0.37 -0.03 0.00 -1.00 0.00 0.00 55.97 54.60 2k45 s LYS 43 Cb -0.18 -3.23 -0.03 0.00 -2.06 0.00 0.00 37.83 32.34 2k45 s LYS 43 CO 0.05 0.20 -0.03 0.08 0.10 0.00 0.00 175.35 175.75 2k45 s VAL 44 N 0.57 3.94 0.15 1.79 1.01 -1.24 0.86 120.40 127.47 2k45 s VAL 44 Ca 0.03 -0.34 -0.02 0.00 0.00 0.00 0.00 61.98 61.65 2k45 s VAL 44 Cb -0.13 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 2k45 s VAL 44 CO 0.01 0.50 0.10 0.72 0.00 0.00 0.00 175.10 176.43 2k45 s PHE 45 N 0.23 0.86 0.37 5.22 -0.71 -0.10 -3.56 117.98 120.29 2k45 s PHE 45 Ca -0.02 -1.21 0.04 0.00 -1.04 0.00 0.00 56.93 54.69 2k45 s PHE 45 Cb -0.14 -0.44 -0.04 0.00 -1.21 0.00 0.00 43.02 41.18 2k45 s PHE 45 CO 0.03 -0.57 0.09 -0.51 -1.34 0.00 0.00 175.22 172.92 2k45 s LEU 46 N -3.06 2.08 0.74 -1.99 1.43 -1.26 -1.74 118.68 114.89 2k45 s LEU 46 Ca 0.26 -1.52 -0.13 0.00 -1.03 0.00 0.00 54.13 51.71 2k45 s LEU 46 Cb 0.07 -0.27 0.04 0.00 0.03 0.00 0.00 46.19 46.06 2k45 s LEU 46 CO 0.03 -0.77 1.11 -0.22 0.23 0.00 0.00 176.35 176.74 2k45 s LEU 47 N -3.56 3.17 0.09 1.79 2.96 -1.06 -4.58 118.68 117.49 2k45 s LEU 47 Ca 0.29 1.97 0.06 0.00 -0.22 0.00 0.00 54.13 56.24 2k45 s LEU 47 Cb 0.06 -4.54 0.29 0.00 0.50 0.00 0.00 46.19 42.50 2k45 s LEU 47 CO 0.14 -2.01 0.31 -2.65 -1.32 0.00 0.00 176.35 170.83 2k45 n PRO 48 N -3.10 -0.01 -0.05 0.98 -0.01 -1.26 -0.45 135.00 131.10 2k45 n PRO 48 Ca 0.10 0.25 -0.13 0.00 -0.01 0.00 0.00 63.50 63.72 2k45 n PRO 48 Cb 0.52 -0.49 -0.07 0.00 -0.01 0.00 0.00 33.50 33.45 2k45 n PRO 48 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 175.50 175.05 2k45 h ASP 49 N 0.00 0.32 -3.93 2.55 5.19 -1.97 -3.48 116.42 115.09 2k45 h ASP 49 Ca 0.18 -0.42 0.00 0.00 -0.62 0.00 0.00 57.03 56.16 2k45 h ASP 49 Cb 0.55 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.97 2k45 h ASP 49 CO -0.10 0.68 -0.09 0.29 -3.12 0.00 0.00 179.24 176.89 2k45 n LYS 50 N -4.64 -0.72 -2.56 3.56 4.76 0.41 -4.90 118.16 114.06 2k45 n LYS 50 Ca -0.06 1.02 -0.43 0.00 -2.87 0.00 0.00 58.31 55.97 2k45 n LYS 50 Cb 0.30 -3.20 0.00 0.00 -1.84 0.00 0.00 35.03 30.30 2k45 n LYS 50 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2k45 n LYS 51 N -0.91 3.20 -3.24 1.97 4.81 -1.26 -4.78 118.16 117.95 2k45 n LYS 51 Ca 0.02 -3.32 -0.40 0.00 -0.87 0.00 0.00 58.31 53.74 2k45 n LYS 51 Cb 0.36 -3.40 -0.02 0.00 0.02 0.00 0.00 35.03 31.99 2k45 n LYS 51 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 2k45 n LYS 52 N 7.73 3.70 -3.24 1.64 -0.00 -1.26 -4.72 118.16 122.02 2k45 n LYS 52 Ca 0.47 -4.54 -0.45 0.00 -0.00 0.00 0.00 58.31 53.80 2k45 n LYS 52 Cb 0.45 -2.47 -0.00 0.00 -0.00 0.00 0.00 35.03 33.01 2k45 n LYS 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 2k45 s LYS 53 N -2.17 4.17 0.04 -1.58 -2.85 -1.24 -4.75 119.74 111.36 2k45 s LYS 53 Ca 0.32 -3.05 0.02 0.00 -1.00 0.00 0.00 55.97 52.26 2k45 s LYS 53 Cb 0.01 -4.69 -0.02 0.00 -2.06 0.00 0.00 37.83 31.07 2k45 s LYS 53 CO 0.01 -1.38 -0.08 -0.06 0.10 0.00 0.00 175.35 173.94 2k45 s PHE 54 N -0.51 0.70 -0.29 1.78 0.08 -1.23 -4.55 117.98 113.96 2k45 s PHE 54 Ca 0.34 -0.50 0.02 0.00 0.12 0.00 0.00 56.93 56.90 2k45 s PHE 54 Cb -0.08 -0.42 0.20 0.00 -0.57 0.00 0.00 43.02 42.15 2k45 s PHE 54 CO -0.06 -0.08 0.67 -2.00 -0.10 0.00 0.00 175.22 173.65 2k45 s GLU 55 N -1.63 0.49 0.47 0.44 2.12 -1.22 -3.73 118.70 115.64 2k45 s GLU 55 Ca -0.09 0.53 -0.14 0.00 0.36 0.00 0.00 54.97 55.63 2k45 s GLU 55 Cb -0.10 0.25 -0.07 0.00 0.26 0.00 0.00 34.13 34.47 2k45 s GLU 55 CO 0.00 -0.87 0.89 0.95 -0.54 0.00 0.00 175.26 175.70 2k45 s THR 56 N 2.85 4.64 0.55 -1.70 -4.23 -1.22 -4.87 115.64 111.67 2k45 s THR 56 Ca 0.14 0.96 -0.20 0.00 -1.18 0.00 0.00 61.69 61.40 2k45 s THR 56 Cb -0.09 -3.73 -0.05 0.00 1.34 0.00 0.00 72.50 69.97 2k45 s THR 56 CO -0.25 -0.62 1.21 -0.75 -0.54 0.00 0.00 174.62 173.67 2k45 s LYS 57 N -3.98 3.22 0.02 3.99 2.47 -1.26 -4.74 119.74 119.46 2k45 s LYS 57 Ca 0.56 1.84 -0.30 0.00 -1.56 0.00 0.00 55.97 56.51 2k45 s LYS 57 Cb -0.10 -2.09 -0.05 0.00 -1.46 0.00 0.00 37.83 34.13 2k45 s LYS 57 CO 0.31 -1.01 1.25 0.14 0.16 0.00 0.00 175.35 176.20 2k45 s VAL 58 N -1.56 3.99 -0.73 4.02 -7.23 -1.26 -4.71 120.40 112.92 2k45 s VAL 58 Ca 0.73 1.40 -0.13 0.00 -1.81 0.00 0.00 61.98 62.16 2k45 s VAL 58 Cb -0.31 -3.90 0.19 0.00 0.56 0.00 0.00 36.38 32.93 2k45 s VAL 58 CO 0.35 0.06 0.66 -1.00 -0.31 0.00 0.00 175.10 174.85 2k45 s HIS 59 N 1.60 3.60 -0.04 2.82 3.76 -0.23 -4.96 115.29 121.84 2k45 s HIS 59 Ca 0.59 -1.89 -0.30 0.00 -0.15 0.00 0.00 55.06 53.31 2k45 s HIS 59 Cb -0.29 -3.74 -0.04 0.00 1.11 0.00 0.00 32.58 29.62 2k45 s HIS 59 CO 0.27 -0.98 1.21 -0.98 -0.85 0.00 0.00 174.74 173.41 2k45 s ARG 60 N 0.53 4.36 -0.70 1.40 1.04 -1.26 -3.02 118.95 121.30 2k45 s ARG 60 Ca 0.14 1.70 -0.01 0.00 -1.04 0.00 0.00 55.73 56.52 2k45 s ARG 60 Cb -0.16 -3.54 -0.01 0.00 -2.04 0.00 0.00 34.95 29.20 2k45 s ARG 60 CO -0.05 -0.43 0.58 1.63 -0.04 0.00 0.00 175.30 176.99 2k45 n LYS 61 N 5.09 -3.53 -3.66 3.89 4.76 -0.59 -4.98 118.16 119.14 2k45 n LYS 61 Ca 0.11 0.50 -0.07 0.00 -2.87 0.00 0.00 58.31 55.98 2k45 n LYS 61 Cb 0.46 -4.43 -0.08 0.00 -1.84 0.00 0.00 35.03 29.14 2k45 n LYS 61 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2k45 s THR 62 N -3.22 -0.40 -0.71 -0.18 -1.32 -0.56 -4.81 115.64 104.44 2k45 s THR 62 Ca 0.04 0.09 0.25 0.00 -1.21 0.00 0.00 61.69 60.86 2k45 s THR 62 Cb -0.01 -0.77 0.15 0.00 -1.51 0.00 0.00 72.50 70.37 2k45 s THR 62 CO 0.43 0.04 1.54 0.18 -2.21 0.00 0.00 174.62 174.60 2k45 n LEU 63 N 4.86 0.72 -3.50 9.08 7.99 -1.26 -3.98 117.00 130.90 2k45 n LEU 63 Ca -0.16 0.38 -0.27 0.00 -0.01 0.00 0.00 56.01 55.95 2k45 n LEU 63 Cb 0.53 -0.25 -0.10 0.00 -0.11 0.00 0.00 43.42 43.49 2k45 n LEU 63 CO 0.01 -0.10 -0.18 -3.20 -1.51 0.00 0.00 177.39 172.42 2k45 n ASN 64 N -2.13 1.26 -4.82 -1.43 4.05 -1.26 0.43 115.26 111.35 2k45 n ASN 64 Ca 0.04 -2.83 -0.37 0.00 0.45 0.00 0.00 54.58 51.88 2k45 n ASN 64 Cb 0.43 -0.64 -0.06 0.00 1.23 0.00 0.00 39.78 40.73 2k45 n ASN 64 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 2k45 s PRO 65 N -0.99 4.18 -0.22 1.20 0.04 -1.16 -4.85 135.00 133.21 2k45 s PRO 65 Ca 0.32 0.75 -0.02 0.00 0.04 0.00 0.00 61.00 62.09 2k45 s PRO 65 Cb 0.06 -2.98 0.07 0.00 0.04 0.00 0.00 34.50 31.68 2k45 s PRO 65 CO -0.15 0.47 0.03 0.14 0.04 0.00 0.00 177.00 177.54 2k45 s VAL 66 N -1.41 0.70 -0.20 -0.36 -7.23 -1.26 -2.79 120.40 107.85 2k45 s VAL 66 Ca 0.38 -0.77 -0.07 0.00 -1.81 0.00 0.00 61.98 59.72 2k45 s VAL 66 Cb -0.17 -1.22 -0.21 0.00 0.56 0.00 0.00 36.38 35.34 2k45 s VAL 66 CO 0.20 -0.27 0.07 0.33 -0.31 0.00 0.00 175.10 175.12 2k45 n PHE 67 N 4.97 0.67 -3.10 2.82 -0.00 -0.73 -4.95 117.46 117.15 2k45 n PHE 67 Ca -0.08 0.17 -0.06 0.00 -0.00 0.00 0.00 57.45 57.48 2k45 n PHE 67 Cb 0.46 -1.08 0.00 0.00 -0.00 0.00 0.00 39.48 38.86 2k45 n PHE 67 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 2k45 n ASN 68 N -3.64 -7.46 -4.14 -2.13 4.05 0.15 -5.01 115.26 97.08 2k45 n ASN 68 Ca -0.39 -0.02 -0.31 0.00 0.45 0.00 0.00 54.58 54.31 2k45 n ASN 68 Cb 0.96 -4.82 -0.17 0.00 1.23 0.00 0.00 39.78 36.98 2k45 n ASN 68 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 2k45 s GLU 69 N -3.08 2.72 -0.50 1.20 2.02 -0.99 -4.93 118.70 115.13 2k45 s GLU 69 Ca 0.08 -0.75 -0.28 0.00 0.02 0.00 0.00 54.97 54.04 2k45 s GLU 69 Cb -0.02 -2.18 -0.01 0.00 0.10 0.00 0.00 34.13 32.02 2k45 s GLU 69 CO 0.77 0.02 1.70 -0.65 0.02 0.00 0.00 175.26 177.12 2k45 s GLN 70 N 0.73 3.07 -0.31 1.61 -1.52 -1.23 -2.06 119.66 119.95 2k45 s GLN 70 Ca -0.10 0.83 0.02 0.00 -1.95 0.00 0.00 55.36 54.16 2k45 s GLN 70 Cb -0.16 -4.24 0.09 0.00 -0.22 0.00 0.00 33.01 28.48 2k45 s GLN 70 CO 0.01 -2.19 0.04 -0.59 -0.25 0.00 0.00 175.29 172.31 2k45 s PHE 71 N 7.41 3.09 -0.04 0.91 -0.12 -1.26 -4.78 117.98 123.18 2k45 s PHE 71 Ca 0.67 -2.51 -0.03 0.00 -0.05 0.00 0.00 56.93 55.00 2k45 s PHE 71 Cb -0.15 -2.41 0.01 0.00 -0.63 0.00 0.00 43.02 39.84 2k45 s PHE 71 CO 0.26 -0.91 0.10 0.99 -0.05 0.00 0.00 175.22 175.61 2k45 s THR 72 N 1.14 -0.01 0.15 -4.49 2.01 -1.26 -4.38 115.64 108.80 2k45 s THR 72 Ca 0.07 0.03 0.07 0.00 0.31 0.00 0.00 61.69 62.17 2k45 s THR 72 Cb -0.19 -0.15 -0.04 0.00 0.01 0.00 0.00 72.50 72.13 2k45 s THR 72 CO -0.12 0.01 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.31 2k45 s PHE 73 N 0.20 1.59 -1.02 4.92 0.08 -0.23 -4.61 117.98 118.92 2k45 s PHE 73 Ca -0.01 -0.53 -0.16 0.00 0.12 0.00 0.00 56.93 56.35 2k45 s PHE 73 Cb -0.02 -0.81 0.17 0.00 -0.57 0.00 0.00 43.02 41.79 2k45 s PHE 73 CO -0.01 0.23 1.17 -1.59 -0.10 0.00 0.00 175.22 174.93 2k45 s LYS 74 N -2.81 3.80 -0.05 0.44 -2.85 -1.26 -1.30 119.74 115.70 2k45 s LYS 74 Ca 0.13 -2.23 0.01 0.00 -1.00 0.00 0.00 55.97 52.87 2k45 s LYS 74 Cb -0.05 -4.86 0.02 0.00 -2.06 0.00 0.00 37.83 30.88 2k45 s LYS 74 CO 0.05 -1.66 -0.04 0.08 0.10 0.00 0.00 175.35 173.88 2k45 s VAL 75 N 1.66 0.54 0.58 1.79 1.01 -1.24 -4.70 120.40 120.04 2k45 s VAL 75 Ca 0.34 -0.10 -0.18 0.00 0.00 0.00 0.00 61.98 62.04 2k45 s VAL 75 Cb -0.05 -0.58 -0.10 0.00 0.00 0.00 0.00 36.38 35.64 2k45 s VAL 75 CO -0.06 0.24 0.33 -2.65 0.00 0.00 0.00 175.10 172.95 2k45 n PRO 76 N 4.22 0.35 0.04 2.72 -0.02 0.06 -4.28 135.00 138.08 2k45 n PRO 76 Ca -0.22 0.14 -0.05 0.00 -2.02 0.00 0.00 63.50 61.35 2k45 n PRO 76 Cb 0.51 -1.52 0.16 0.00 -0.02 0.00 0.00 33.50 32.63 2k45 n PRO 76 CO 0.00 0.00 0.00 0.10 1.98 0.00 0.00 175.50 177.58 2k45 h TYR 77 N 0.08 0.49 -0.78 6.00 -0.00 -1.90 1.01 116.97 121.87 2k45 h TYR 77 Ca -0.44 -0.13 0.01 0.00 -0.00 0.00 0.00 58.73 58.16 2k45 h TYR 77 Cb 1.40 -0.11 -0.04 0.00 -0.00 0.00 0.00 36.73 37.99 2k45 h TYR 77 CO 0.29 0.75 0.52 0.77 -0.00 0.00 0.00 178.16 180.49 2k45 h SER 78 N 0.35 0.90 1.38 0.10 0.02 -1.96 -2.50 113.55 111.83 2k45 h SER 78 Ca 0.03 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2k45 h SER 78 Cb 0.85 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.17 2k45 h SER 78 CO 0.07 0.65 -0.48 -0.33 -1.14 0.00 0.00 176.83 175.59 2k45 h GLU 79 N 1.06 0.00 -0.26 3.45 5.08 -1.53 -3.26 114.58 119.12 2k45 h GLU 79 Ca 0.29 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.68 2k45 h GLU 79 Cb -0.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 2k45 h GLU 79 CO -0.06 0.00 0.18 1.25 -1.00 0.00 0.00 179.01 179.37 2k45 h LEU 80 N 0.00 0.21 -0.77 1.33 6.46 0.15 -1.77 115.31 120.91 2k45 h LEU 80 Ca 0.00 -0.00 0.18 0.00 -0.12 0.00 0.00 57.88 57.94 2k45 h LEU 80 Cb 0.93 -0.05 -0.13 0.00 -0.73 0.00 0.00 40.66 40.68 2k45 h LEU 80 CO 0.00 0.15 0.06 1.23 -0.62 0.00 0.00 178.44 179.25 2k45 h GLY 81 N 0.24 0.94 1.90 3.75 0.00 -1.59 0.61 103.07 108.92 2k45 h GLY 81 Ca 0.11 0.07 -0.08 0.00 0.00 0.00 0.00 47.33 47.44 2k45 h GLY 81 CO -0.02 -0.29 -0.31 -1.33 0.00 0.00 0.00 176.54 174.59 2k45 h GLY 82 N 0.13 0.13 -2.25 4.60 0.00 -1.57 -3.35 103.07 100.76 2k45 h GLY 82 Ca 0.43 -0.10 -0.48 0.00 0.00 0.00 0.00 47.33 47.19 2k45 h GLY 82 CO -0.65 0.09 0.24 0.54 0.00 0.00 0.00 176.54 176.76 2k45 s LYS 83 N -4.33 3.97 -0.16 4.80 3.01 0.20 -4.93 119.74 122.30 2k45 s LYS 83 Ca -0.04 0.80 -0.02 0.00 -1.01 0.00 0.00 55.97 55.70 2k45 s LYS 83 Cb 0.14 -2.28 -0.01 0.00 -1.01 0.00 0.00 37.83 34.67 2k45 s LYS 83 CO 0.74 -0.07 -0.09 0.95 0.51 0.00 0.00 175.35 177.39 2k45 s THR 84 N -2.33 3.24 -0.38 2.17 -4.23 -1.26 -2.00 115.64 110.85 2k45 s THR 84 Ca 0.56 -0.58 -0.20 0.00 -1.18 0.00 0.00 61.69 60.30 2k45 s THR 84 Cb -0.10 -2.40 0.01 0.00 1.34 0.00 0.00 72.50 71.35 2k45 s THR 84 CO 0.25 0.49 0.62 -0.22 -0.54 0.00 0.00 174.62 175.21 2k45 s LEU 85 N 0.70 4.35 -0.07 4.79 2.96 -0.96 -2.57 118.68 127.88 2k45 s LEU 85 Ca -0.05 -0.04 0.05 0.00 -0.22 0.00 0.00 54.13 53.87 2k45 s LEU 85 Cb -0.15 -2.73 -0.00 0.00 0.50 0.00 0.00 46.19 43.81 2k45 s LEU 85 CO 0.02 -0.63 -0.21 0.68 -1.32 0.00 0.00 176.35 174.89 2k45 s VAL 86 N 2.69 1.80 -0.06 1.68 -7.23 -0.71 -0.83 120.40 117.73 2k45 s VAL 86 Ca 0.23 -0.90 0.06 0.00 -1.81 0.00 0.00 61.98 59.56 2k45 s VAL 86 Cb -0.15 -1.54 -0.01 0.00 0.56 0.00 0.00 36.38 35.24 2k45 s VAL 86 CO 0.16 0.50 -0.24 -0.04 -0.31 0.00 0.00 175.10 175.17 2k45 s MET 87 N 0.12 2.57 -0.24 4.82 1.00 0.21 -0.93 119.30 126.86 2k45 s MET 87 Ca -0.09 -0.90 -0.04 0.00 0.00 0.00 0.00 55.69 54.66 2k45 s MET 87 Cb -0.15 -2.18 0.08 0.00 0.00 0.00 0.00 34.83 32.58 2k45 s MET 87 CO 0.05 0.38 0.10 0.00 0.00 0.00 0.00 175.02 175.55 2k45 s ALA 88 N -0.16 0.69 -0.27 3.03 0.00 0.25 -0.05 121.76 125.24 2k45 s ALA 88 Ca -0.04 -0.83 -0.29 0.00 0.00 0.00 0.00 51.96 50.81 2k45 s ALA 88 Cb -0.14 -1.26 -0.00 0.00 0.00 0.00 0.00 23.12 21.72 2k45 s ALA 88 CO 0.04 -1.43 1.28 0.08 0.00 0.00 0.00 175.76 175.73 2k45 s VAL 89 N 2.04 4.19 -0.13 0.00 1.01 0.73 0.57 120.40 128.80 2k45 s VAL 89 Ca 0.05 1.37 -0.00 0.00 0.00 0.00 0.00 61.98 63.40 2k45 s VAL 89 Cb -0.16 -4.14 -0.02 0.00 0.00 0.00 0.00 36.38 32.06 2k45 s VAL 89 CO -0.23 -0.40 -0.12 -0.31 0.00 0.00 0.00 175.10 174.04 2k45 s TYR 90 N 4.16 2.83 -0.19 5.22 2.02 0.43 -1.89 117.35 129.92 2k45 s TYR 90 Ca 0.55 -0.60 -0.08 0.00 -0.37 0.00 0.00 57.07 56.57 2k45 s TYR 90 Cb -0.17 -1.85 -0.04 0.00 -0.40 0.00 0.00 41.96 39.50 2k45 s TYR 90 CO 0.21 -0.18 0.08 0.34 -1.57 0.00 0.00 175.55 174.42 2k45 s ASP 91 N 0.31 5.73 -0.49 2.29 2.15 -1.24 -2.56 116.67 122.87 2k45 s ASP 91 Ca -0.10 0.10 -0.29 0.00 0.43 0.00 0.00 52.55 52.69 2k45 s ASP 91 Cb -0.16 -1.99 0.03 0.00 -0.30 0.00 0.00 42.92 40.50 2k45 s ASP 91 CO 0.05 0.17 1.14 -0.36 -0.17 0.00 0.00 175.17 176.00 2k45 s PHE 92 N 0.43 2.80 -0.43 -5.34 0.40 -1.14 -3.82 117.98 110.88 2k45 s PHE 92 Ca 0.04 0.67 0.06 0.00 -0.60 0.00 0.00 56.93 57.10 2k45 s PHE 92 Cb -0.12 -4.44 0.48 0.00 0.51 0.00 0.00 43.02 39.45 2k45 s PHE 92 CO 0.00 -1.30 1.41 -0.40 0.70 0.00 0.00 175.22 175.63 2k45 n ASP 93 N 7.88 3.80 0.00 1.36 5.75 -1.25 -4.43 116.55 129.66 2k45 n ASP 93 Ca 0.11 -2.76 0.00 0.00 -0.01 0.00 0.00 54.79 52.14 2k45 n ASP 93 Cb 0.49 -0.66 0.00 0.00 -1.03 0.00 0.00 41.12 39.92 2k45 n ASP 93 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2k45 n ARG 94 N 0.02 -0.48 0.00 0.11 1.74 -1.26 -4.30 116.66 112.50 2k45 n ARG 94 Ca 0.26 0.12 0.00 0.00 -0.77 0.00 0.00 57.85 57.46 2k45 n ARG 94 Cb 1.01 -4.48 0.00 0.00 -1.02 0.00 0.00 32.46 27.97 2k45 n ARG 94 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2k45 n PHE 95 N -2.02 0.00 -3.63 -1.55 7.35 -1.26 -5.04 117.46 111.31 2k45 n PHE 95 Ca 0.00 0.00 -0.23 0.00 -0.76 0.00 0.00 57.45 56.46 2k45 n PHE 95 Cb 0.12 0.13 -0.01 0.00 0.35 0.00 0.00 39.48 40.06 2k45 n PHE 95 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 2k45 s SER 96 N -0.46 6.30 -0.49 -2.13 1.04 -1.26 -5.05 113.70 111.64 2k45 s SER 96 Ca 0.00 0.27 -0.22 0.00 0.48 0.00 0.00 55.95 56.49 2k45 s SER 96 Cb 0.00 -1.94 0.04 0.00 0.10 0.00 0.00 66.02 64.22 2k45 s SER 96 CO 0.00 -0.20 0.76 -1.59 0.98 0.00 0.00 173.24 173.19 2k45 s LYS 97 N -4.17 3.28 -0.57 4.02 -2.85 -1.26 -4.12 119.74 114.07 2k45 s LYS 97 Ca 0.37 -0.41 -0.17 0.00 -1.00 0.00 0.00 55.97 54.76 2k45 s LYS 97 Cb -0.09 -4.02 0.12 0.00 -2.06 0.00 0.00 37.83 31.78 2k45 s LYS 97 CO 0.33 -1.23 0.58 -3.38 0.10 0.00 0.00 175.35 171.75 2k45 s HIS 98 N 3.21 3.17 -1.08 1.78 -3.43 -1.26 -5.01 115.29 112.66 2k45 s HIS 98 Ca 0.25 -1.19 -0.11 0.00 -0.80 0.00 0.00 55.06 53.21 2k45 s HIS 98 Cb -0.14 -3.88 0.25 0.00 -1.43 0.00 0.00 32.58 27.38 2k45 s HIS 98 CO 0.18 -1.12 1.10 0.16 -2.00 0.00 0.00 174.74 173.06 2k45 s ASP 99 N 3.59 7.19 -0.33 7.38 -4.77 -1.25 -4.65 116.67 123.84 2k45 s ASP 99 Ca 0.06 -3.35 -0.13 0.00 -3.30 0.00 0.00 52.55 45.84 2k45 s ASP 99 Cb -0.27 -2.24 -0.02 0.00 -1.09 0.00 0.00 42.92 39.29 2k45 s ASP 99 CO 0.04 -0.41 0.24 0.27 0.70 0.00 0.00 175.17 176.01 2k45 s ILE 100 N -0.58 5.29 -0.22 2.11 -4.36 -1.26 -3.63 121.20 118.54 2k45 s ILE 100 Ca 0.30 -0.13 -0.16 0.00 -0.26 0.00 0.00 60.65 60.40 2k45 s ILE 100 Cb -0.09 -3.69 -0.11 0.00 1.25 0.00 0.00 42.46 39.82 2k45 s ILE 100 CO -0.07 0.03 -0.21 2.30 0.24 0.00 0.00 174.94 177.23 2k45 n ILE 101 N 5.10 1.51 -4.01 8.37 -5.35 -1.04 -4.54 119.36 119.40 2k45 n ILE 101 Ca -0.13 -0.11 0.03 0.00 -0.27 0.00 0.00 62.75 62.27 2k45 n ILE 101 Cb 0.50 -2.09 0.01 0.00 -1.74 0.00 0.00 39.64 36.32 2k45 n ILE 101 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2k45 n GLY 102 N 1.38 0.24 3.59 3.28 0.00 -0.80 -3.69 105.19 109.20 2k45 n GLY 102 Ca -0.34 -0.94 -0.04 0.00 0.00 0.00 0.00 46.02 44.70 2k45 n GLY 102 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k45 s GLU 103 N -2.00 0.38 -0.06 1.61 -1.05 0.26 -0.20 118.70 117.64 2k45 s GLU 103 Ca 0.20 -0.15 -0.06 0.00 -0.15 0.00 0.00 54.97 54.80 2k45 s GLU 103 Cb -0.00 0.17 0.02 0.00 -0.44 0.00 0.00 34.13 33.87 2k45 s GLU 103 CO -0.01 -0.17 0.17 0.12 0.95 0.00 0.00 175.26 176.31 2k45 s PHE 104 N -2.50 -0.18 -0.14 4.83 5.36 0.92 -0.05 117.98 126.22 2k45 s PHE 104 Ca 0.10 0.43 0.00 0.00 -0.96 0.00 0.00 56.93 56.50 2k45 s PHE 104 Cb -0.00 0.06 0.02 0.00 -0.34 0.00 0.00 43.02 42.76 2k45 s PHE 104 CO -0.05 -0.10 -0.13 0.15 -1.46 0.00 0.00 175.22 173.64 2k45 s LYS 105 N 0.04 2.08 -0.20 10.12 1.02 -1.26 -0.62 119.74 130.92 2k45 s LYS 105 Ca -0.01 -0.48 -0.04 0.00 0.02 0.00 0.00 55.97 55.47 2k45 s LYS 105 Cb -0.01 -1.95 0.10 0.00 -0.52 0.00 0.00 37.83 35.45 2k45 s LYS 105 CO 0.00 -0.23 0.29 0.08 -0.92 0.00 0.00 175.35 174.58 2k45 s VAL 106 N 1.49 -0.46 0.17 3.17 1.01 -0.01 -5.02 120.40 120.75 2k45 s VAL 106 Ca 0.04 0.03 -0.34 0.00 0.00 0.00 0.00 61.98 61.71 2k45 s VAL 106 Cb -0.13 -0.66 -0.14 0.00 0.00 0.00 0.00 36.38 35.45 2k45 s VAL 106 CO -0.09 -0.07 1.48 -0.81 0.00 0.00 0.00 175.10 175.61 2k45 n PRO 107 N 5.35 1.93 0.25 2.72 -0.04 -1.26 -2.27 135.00 141.68 2k45 n PRO 107 Ca -0.05 0.69 0.12 0.00 -0.04 0.00 0.00 63.50 64.22 2k45 n PRO 107 Cb 0.50 -2.40 0.76 0.00 -0.04 0.00 0.00 33.50 32.31 2k45 n PRO 107 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 2k45 h MET 108 N 5.17 0.00 0.00 0.54 2.86 -1.61 0.32 114.93 122.21 2k45 h MET 108 Ca -0.45 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.19 2k45 h MET 108 Cb 1.27 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.93 2k45 h MET 108 CO 0.83 0.00 -0.01 -2.95 1.06 0.00 0.00 176.91 175.84 2k45 h ASN 109 N 0.00 0.00 1.08 1.22 7.08 -1.65 -0.96 115.58 122.35 2k45 h ASN 109 Ca 0.02 0.00 -0.05 0.00 -3.08 0.00 0.00 56.30 53.19 2k45 h ASN 109 Cb 0.11 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.34 2k45 h ASN 109 CO -0.00 0.01 -0.95 0.74 -2.08 0.00 0.00 177.43 175.15 2k45 h THR 110 N 0.00 0.20 -3.57 6.14 2.02 -1.27 -3.43 112.91 112.99 2k45 h THR 110 Ca -0.00 -1.36 -0.63 0.00 0.77 0.00 0.00 66.41 65.19 2k45 h THR 110 Cb 0.29 1.77 -0.14 0.00 -1.74 0.00 0.00 68.15 68.34 2k45 h THR 110 CO 0.00 0.11 0.14 -0.69 0.37 0.00 0.00 175.52 175.45 2k45 s VAL 111 N -3.20 4.88 -0.49 3.16 1.01 -0.37 -5.02 120.40 120.39 2k45 s VAL 111 Ca 0.00 0.53 -0.28 0.00 0.00 0.00 0.00 61.98 62.23 2k45 s VAL 111 Cb 0.09 -4.09 0.03 0.00 0.00 0.00 0.00 36.38 32.41 2k45 s VAL 111 CO 0.78 -0.34 1.07 -1.81 0.00 0.00 0.00 175.10 174.80 2k45 s ASP 112 N 1.82 6.56 -1.15 3.32 1.11 -1.26 -4.94 116.67 122.12 2k45 s ASP 112 Ca 0.24 0.29 -0.05 0.00 0.18 0.00 0.00 52.55 53.21 2k45 s ASP 112 Cb -0.14 -2.52 0.25 0.00 1.07 0.00 0.00 42.92 41.58 2k45 s ASP 112 CO 0.15 -1.22 1.74 0.49 1.18 0.00 0.00 175.17 177.52 2k45 n PHE 113 N 7.69 2.53 0.01 4.23 3.72 -1.26 -4.72 117.46 129.66 2k45 n PHE 113 Ca 0.10 -2.65 -0.11 0.00 -0.05 0.00 0.00 57.45 54.74 2k45 n PHE 113 Cb 0.49 -1.50 -0.08 0.00 -0.94 0.00 0.00 39.48 37.45 2k45 n PHE 113 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2k45 h GLY 114 N 5.95 -0.12 0.00 1.37 0.00 -1.99 -3.46 103.07 104.82 2k45 h GLY 114 Ca 0.36 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.73 2k45 h GLY 114 CO 1.41 -0.05 0.00 1.57 0.00 0.00 0.00 176.54 179.48 2k45 n HIS 115 N -4.83 0.00 -4.47 5.60 -0.00 -1.26 -4.96 115.22 105.30 2k45 n HIS 115 Ca -0.07 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.31 2k45 n HIS 115 Cb 0.29 0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 30.14 2k45 n HIS 115 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 2k45 s VAL 116 N 1.75 3.42 -0.58 3.57 -7.23 -1.26 -3.83 120.40 116.24 2k45 s VAL 116 Ca 0.00 -0.52 -0.21 0.00 -1.81 0.00 0.00 61.98 59.45 2k45 s VAL 116 Cb 0.00 -2.49 0.07 0.00 0.56 0.00 0.00 36.38 34.53 2k45 s VAL 116 CO 0.00 0.49 0.78 -0.89 -0.31 0.00 0.00 175.10 175.17 2k45 s THR 117 N 0.58 4.66 -0.28 5.32 2.01 0.76 -4.93 115.64 123.75 2k45 s THR 117 Ca -0.05 -0.51 -0.01 0.00 0.31 0.00 0.00 61.69 61.43 2k45 s THR 117 Cb -0.15 -4.49 0.05 0.00 0.01 0.00 0.00 72.50 67.92 2k45 s THR 117 CO 0.03 -1.11 -0.03 -1.83 -0.69 0.00 0.00 174.62 171.00 2k45 s GLU 118 N 3.18 2.49 0.18 4.92 4.04 -1.26 -0.57 118.70 131.68 2k45 s GLU 118 Ca 0.18 -1.21 -0.21 0.00 0.04 0.00 0.00 54.97 53.76 2k45 s GLU 118 Cb -0.19 -3.11 0.05 0.00 0.02 0.00 0.00 34.13 30.90 2k45 s GLU 118 CO 0.11 -0.57 0.58 -1.83 -1.84 0.00 0.00 175.26 171.71 2k45 s GLU 119 N 1.25 1.36 -0.51 -4.83 -1.05 -0.35 -4.95 118.70 109.63 2k45 s GLU 119 Ca -0.05 -0.65 -0.22 0.00 -0.15 0.00 0.00 54.97 53.90 2k45 s GLU 119 Cb -0.19 0.57 0.04 0.00 -0.44 0.00 0.00 34.13 34.11 2k45 s GLU 119 CO -0.02 -0.59 0.77 -1.58 0.95 0.00 0.00 175.26 174.79 2k45 s TRP 120 N -3.81 2.94 -0.13 4.83 0.23 -1.26 -2.46 118.94 119.28 2k45 s TRP 120 Ca 0.04 -0.17 -0.01 0.00 -2.03 0.00 0.00 56.10 53.93 2k45 s TRP 120 Cb -0.02 -3.74 -0.02 0.00 0.03 0.00 0.00 33.47 29.72 2k45 s TRP 120 CO -0.08 -1.13 -0.08 0.50 0.96 0.00 0.00 176.95 177.12 2k45 s ARG 121 N 3.26 3.41 -0.15 4.98 6.06 -0.70 -4.93 118.95 130.88 2k45 s ARG 121 Ca 0.24 -0.60 -0.10 0.00 -2.50 0.00 0.00 55.73 52.78 2k45 s ARG 121 Cb -0.15 -2.74 -0.05 0.00 0.06 0.00 0.00 34.95 32.07 2k45 s ARG 121 CO 0.17 0.29 0.18 0.16 -2.50 0.00 0.00 175.30 173.61 2k45 s ASP 122 N 0.18 6.35 -0.23 -2.12 -4.77 -1.26 0.82 116.67 115.64 2k45 s ASP 122 Ca -0.05 0.41 -0.19 0.00 -3.30 0.00 0.00 52.55 49.43 2k45 s ASP 122 Cb -0.14 -2.11 -0.03 0.00 -1.09 0.00 0.00 42.92 39.55 2k45 s ASP 122 CO 0.04 0.26 0.55 -0.76 0.70 0.00 0.00 175.17 175.96 2k45 s LEU 123 N -0.22 4.10 0.06 2.11 2.01 -1.05 -4.51 118.68 121.18 2k45 s LEU 123 Ca 0.13 0.65 -0.19 0.00 0.01 0.00 0.00 54.13 54.73 2k45 s LEU 123 Cb -0.12 -2.74 -0.06 0.00 0.01 0.00 0.00 46.19 43.27 2k45 s LEU 123 CO 0.02 -0.26 0.56 0.00 1.01 0.00 0.00 176.35 177.68 2k45 s GLN 124 N 2.06 4.19 -0.20 1.70 -2.07 0.92 -2.59 119.66 123.67 2k45 s GLN 124 Ca 0.24 0.71 -0.29 0.00 -1.82 0.00 0.00 55.36 54.20 2k45 s GLN 124 Cb -0.16 -3.25 -0.04 0.00 -1.09 0.00 0.00 33.01 28.47 2k45 s GLN 124 CO 0.09 0.61 1.90 0.45 -1.32 0.00 0.00 175.29 177.03 2k45 s SER 125 N -1.00 5.99 -0.06 12.60 0.15 -1.26 0.90 113.70 131.04 2k45 s SER 125 Ca 0.29 1.81 -0.09 0.00 0.70 0.00 0.00 55.95 58.66 2k45 s SER 125 Cb -0.19 -2.52 -0.05 0.00 -1.71 0.00 0.00 66.02 61.55 2k45 s SER 125 CO 0.18 -1.54 0.23 0.00 1.20 0.00 0.00 173.24 173.31 2k45 s ALA 126 N 6.42 3.83 -1.10 5.45 0.00 -1.24 -3.69 121.76 131.42 2k45 s ALA 126 Ca 0.85 -0.52 -0.08 0.00 0.00 0.00 0.00 51.96 52.21 2k45 s ALA 126 Cb -0.30 -2.09 0.28 0.00 0.00 0.00 0.00 23.12 21.01 2k45 s ALA 126 CO 0.34 0.59 1.15 0.39 0.00 0.00 0.00 175.76 178.23 2k45 n GLU 127 N 1.75 3.63 0.00 0.00 1.02 -1.26 -4.77 120.64 121.01 2k45 n GLU 127 Ca -0.17 -4.47 0.05 0.00 -0.02 0.00 0.00 57.16 52.55 2k45 n GLU 127 Cb 0.54 -2.54 0.04 0.00 -0.02 0.00 0.00 31.44 29.46 2k45 n GLU 127 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48