#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4i s ALA 3 N 0.00 1.54 0.08 4.61 0.00 -1.26 -4.90 121.76 121.83 2k4i s ALA 3 Ca 0.00 -2.52 0.00 0.00 0.00 0.00 0.00 51.96 49.44 2k4i s ALA 3 Cb 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.49 2k4i s ALA 3 CO 0.00 -1.99 0.00 -2.13 0.00 0.00 0.00 175.76 171.64 2k4i n ARG 4 N 2.84 0.00 -3.15 0.00 3.00 -1.26 -5.12 116.66 112.98 2k4i n ARG 4 Ca 0.28 0.00 0.06 0.00 -0.00 0.00 0.00 57.85 58.19 2k4i n ARG 4 Cb 0.46 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.91 2k4i n ARG 4 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 2k4i s ASN 5 N -2.00 -0.34 0.90 6.15 2.47 -1.26 -5.15 114.94 115.72 2k4i s ASN 5 Ca 0.00 0.18 0.00 0.00 0.42 0.00 0.00 52.86 53.46 2k4i s ASN 5 Cb 0.00 1.27 0.00 0.00 -1.45 0.00 0.00 41.25 41.07 2k4i s ASN 5 CO 0.00 -0.06 0.00 -0.24 -3.72 0.00 0.00 177.10 173.08 2k4i n SER 6 N 5.43 -6.16 -0.09 -4.21 2.88 -1.26 -4.66 113.62 105.54 2k4i n SER 6 Ca -0.05 0.17 -0.12 0.00 -1.33 0.00 0.00 58.87 57.54 2k4i n SER 6 Cb 0.55 -0.49 -0.10 0.00 -0.75 0.00 0.00 64.21 63.42 2k4i n SER 6 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2k4i n VAL 7 N -2.21 1.11 -3.41 2.46 0.31 -1.26 -4.76 118.33 110.57 2k4i n VAL 7 Ca 0.00 -0.50 -0.22 0.00 -0.01 0.00 0.00 64.34 63.61 2k4i n VAL 7 Cb 0.07 -1.02 0.03 0.00 -0.91 0.00 0.00 33.84 32.01 2k4i n VAL 7 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2k4i s LEU 8 N -5.86 2.96 0.00 7.52 1.43 -1.26 -5.02 118.68 118.44 2k4i s LEU 8 Ca -0.21 -1.00 -0.17 0.00 -1.03 0.00 0.00 54.13 51.72 2k4i s LEU 8 Cb 0.06 -1.48 0.25 0.00 0.03 0.00 0.00 46.19 45.05 2k4i s LEU 8 CO 0.51 -1.20 0.80 0.54 0.23 0.00 0.00 176.35 177.22 2k4i n ARG 9 N -2.01 -3.07 0.12 1.70 1.74 -1.26 -4.68 116.66 109.20 2k4i n ARG 9 Ca 0.08 -1.29 -0.13 0.00 -0.77 0.00 0.00 57.85 55.73 2k4i n ARG 9 Cb 0.63 -1.31 -0.08 0.00 -1.02 0.00 0.00 32.46 30.67 2k4i n ARG 9 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2k4i h GLY 10 N -2.42 -0.30 0.45 -0.13 0.00 -1.99 -0.97 103.07 97.71 2k4i h GLY 10 Ca -0.31 0.11 0.04 0.00 0.00 0.00 0.00 47.33 47.17 2k4i h GLY 10 CO 0.20 -0.11 -0.17 1.70 0.00 0.00 0.00 176.54 178.16 2k4i h LYS 11 N -0.55 -0.22 -0.55 4.80 3.64 -2.01 -2.20 116.57 119.47 2k4i h LYS 11 Ca -0.03 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.41 2k4i h LYS 11 Cb 0.41 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.24 2k4i h LYS 11 CO 0.05 -0.15 0.30 0.87 -2.27 0.00 0.00 179.45 178.25 2k4i h LYS 12 N -0.23 0.57 -0.96 1.90 6.56 -1.92 -1.78 116.57 120.71 2k4i h LYS 12 Ca 0.09 -0.03 0.20 0.00 -1.06 0.00 0.00 60.65 59.85 2k4i h LYS 12 Cb 0.36 -0.13 -0.09 0.00 -0.57 0.00 0.00 32.23 31.81 2k4i h LYS 12 CO -0.24 0.38 0.61 0.00 -2.06 0.00 0.00 179.45 178.14 2k4i h ALA 13 N 1.27 1.97 0.02 3.86 0.00 -0.58 -1.46 119.26 124.35 2k4i h ALA 13 Ca 0.23 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.22 2k4i h ALA 13 Cb 0.10 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2k4i h ALA 13 CO -0.14 -0.31 -0.26 0.22 0.00 0.00 0.00 179.25 178.77 2k4i h ASP 14 N 0.57 -0.77 -0.91 0.00 1.82 -0.79 0.22 116.42 116.56 2k4i h ASP 14 Ca 0.53 0.10 0.01 0.00 -0.39 0.00 0.00 57.03 57.28 2k4i h ASP 14 Cb 1.07 0.31 -0.05 0.00 0.68 0.00 0.00 39.33 41.35 2k4i h ASP 14 CO -0.27 -0.33 0.60 -0.33 -1.61 0.00 0.00 179.24 177.29 2k4i h GLU 15 N -0.41 1.19 -0.15 0.28 3.07 -1.32 0.23 114.58 117.45 2k4i h GLU 15 Ca 0.06 -0.07 -0.00 0.00 -0.50 0.00 0.00 59.36 58.84 2k4i h GLU 15 Cb 0.49 -0.27 -0.01 0.00 -0.84 0.00 0.00 28.75 28.12 2k4i h GLU 15 CO -0.21 0.78 0.08 1.25 -1.40 0.00 0.00 179.01 179.51 2k4i h LEU 16 N 1.22 0.20 -0.05 1.33 7.12 -0.81 0.92 115.31 125.24 2k4i h LEU 16 Ca 0.33 -0.11 0.00 0.00 0.13 0.00 0.00 57.88 58.24 2k4i h LEU 16 Cb -0.13 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 39.95 2k4i h LEU 16 CO -0.08 0.25 0.00 1.21 -0.13 0.00 0.00 178.44 179.70 2k4i n GLU 17 N -4.91 0.04 -0.09 1.25 2.13 0.71 -3.55 120.64 116.23 2k4i n GLU 17 Ca -0.04 0.14 -0.18 0.00 0.66 0.00 0.00 57.16 57.74 2k4i n GLU 17 Cb 0.09 -1.56 -0.10 0.00 0.27 0.00 0.00 31.44 30.13 2k4i n GLU 17 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k4i h ARG 18 N 0.00 0.00 -6.42 5.31 3.08 0.15 -3.44 114.38 113.06 2k4i h ARG 18 Ca 0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.42 2k4i h ARG 18 Cb 0.43 0.00 0.08 0.00 0.08 0.00 0.00 29.97 30.56 2k4i h ARG 18 CO 0.00 0.87 0.43 -0.89 -1.07 0.00 0.00 179.97 179.31 2k4i n ILE 19 N -4.50 0.75 -4.08 2.04 5.41 0.25 -4.90 119.36 114.34 2k4i n ILE 19 Ca -0.24 -0.19 -0.24 0.00 1.00 0.00 0.00 62.75 63.09 2k4i n ILE 19 Cb 0.57 -1.09 -0.04 0.00 -0.71 0.00 0.00 39.64 38.37 2k4i n ILE 19 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2k4i s ARG 20 N -0.21 3.01 0.31 0.38 0.52 -0.93 -2.36 118.95 119.68 2k4i s ARG 20 Ca 0.73 -0.93 0.16 0.00 -0.52 0.00 0.00 55.73 55.18 2k4i s ARG 20 Cb -0.79 -2.66 0.37 0.00 0.52 0.00 0.00 34.95 32.40 2k4i s ARG 20 CO 0.50 0.44 1.59 -0.07 0.02 0.00 0.00 175.30 177.78 2k4i h LEU 21 N 1.82 0.00 -8.80 2.53 3.38 -0.78 0.32 115.31 113.79 2k4i h LEU 21 Ca -0.49 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.09 2k4i h LEU 21 Cb 1.22 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.83 2k4i h LEU 21 CO 0.62 0.49 -0.72 -0.13 0.09 0.00 0.00 178.44 178.79 2k4i s ARG 22 N -3.30 1.22 0.25 1.13 0.52 -1.26 -4.27 118.95 113.24 2k4i s ARG 22 Ca 0.01 -1.54 0.03 0.00 -0.52 0.00 0.00 55.73 53.71 2k4i s ARG 22 Cb 0.10 -0.89 0.31 0.00 0.52 0.00 0.00 34.95 34.99 2k4i s ARG 22 CO 0.72 0.12 1.62 -1.00 0.02 0.00 0.00 175.30 176.79 2k4i h PRO 23 N 2.64 0.37 0.00 3.54 0.13 -1.96 -3.24 132.00 133.49 2k4i h PRO 23 Ca -0.37 -0.20 -0.00 0.00 -0.87 0.00 0.00 66.00 64.56 2k4i h PRO 23 Cb 1.21 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 2k4i h PRO 23 CO 0.63 0.76 -0.17 0.41 -0.23 0.00 0.00 178.00 179.39 2k4i n GLY 24 N -0.02 4.97 3.25 1.56 0.00 -1.26 -5.04 105.19 108.66 2k4i n GLY 24 Ca -0.02 -1.20 -0.18 0.00 0.00 0.00 0.00 46.02 44.63 2k4i n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4i n GLY 25 N -1.33 2.19 0.02 -0.02 0.00 -1.22 -5.05 105.19 99.78 2k4i n GLY 25 Ca 0.17 -2.23 0.01 0.00 0.00 0.00 0.00 46.02 43.97 2k4i n GLY 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k4i n LYS 26 N -1.93 2.24 -3.14 1.61 4.76 -1.26 -4.87 118.16 115.58 2k4i n LYS 26 Ca 0.10 -1.42 -0.40 0.00 -2.87 0.00 0.00 58.31 53.72 2k4i n LYS 26 Cb 0.51 -0.95 -0.06 0.00 -1.84 0.00 0.00 35.03 32.69 2k4i n LYS 26 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2k4i s LYS 27 N -0.98 4.19 0.07 1.97 1.02 -1.26 -5.02 119.74 119.73 2k4i s LYS 27 Ca 0.03 0.57 0.04 0.00 0.02 0.00 0.00 55.97 56.63 2k4i s LYS 27 Cb 0.03 -3.59 -0.04 0.00 -0.52 0.00 0.00 37.83 33.71 2k4i s LYS 27 CO 0.00 -0.25 -0.00 0.15 -0.92 0.00 0.00 175.35 174.32 2k4i s LYS 28 N 1.97 2.58 0.38 1.68 1.02 -1.26 -0.01 119.74 126.09 2k4i s LYS 28 Ca 0.27 -0.80 -0.28 0.00 0.02 0.00 0.00 55.97 55.19 2k4i s LYS 28 Cb -0.16 -2.56 -0.11 0.00 -0.52 0.00 0.00 37.83 34.49 2k4i s LYS 28 CO 0.10 0.56 1.44 0.66 -0.92 0.00 0.00 175.35 177.18 2k4i n TYR 29 N 0.75 2.80 -3.98 3.18 4.01 -1.00 -4.90 117.16 118.02 2k4i n TYR 29 Ca -0.12 0.47 -0.10 0.00 -0.16 0.00 0.00 57.90 58.00 2k4i n TYR 29 Cb 0.52 -2.50 -0.06 0.00 -0.31 0.00 0.00 39.34 36.99 2k4i n TYR 29 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 2k4i s ARG 30 N -2.08 1.36 0.41 -0.72 3.52 -1.26 -4.32 118.95 115.86 2k4i s ARG 30 Ca 0.54 -1.23 0.27 0.00 -0.13 0.00 0.00 55.73 55.18 2k4i s ARG 30 Cb -0.49 0.42 1.38 0.00 -1.56 0.00 0.00 34.95 34.70 2k4i s ARG 30 CO 0.63 -0.53 1.61 -0.07 -0.81 0.00 0.00 175.30 176.13 2k4i h LEU 31 N 2.39 0.28 -0.44 -0.88 4.07 -1.98 0.41 115.31 119.16 2k4i h LEU 31 Ca -0.29 0.18 0.09 0.00 0.08 0.00 0.00 57.88 57.93 2k4i h LEU 31 Cb 1.24 0.17 -0.09 0.00 1.08 0.00 0.00 40.66 43.06 2k4i h LEU 31 CO 0.42 -0.25 -0.16 0.50 -1.08 0.00 0.00 178.44 177.87 2k4i h LYS 32 N 0.08 -0.06 -0.22 1.13 3.64 -1.98 0.11 116.57 119.27 2k4i h LYS 32 Ca 0.83 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 60.04 2k4i h LYS 32 Cb 2.44 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 34.28 2k4i h LYS 32 CO -0.54 -0.04 -0.53 0.45 -2.27 0.00 0.00 179.45 176.53 2k4i h HIS 33 N -0.06 0.95 -0.50 1.91 3.86 -0.61 -1.84 115.15 118.86 2k4i h HIS 33 Ca 0.21 -0.36 0.04 0.00 -1.16 0.00 0.00 60.37 59.10 2k4i h HIS 33 Cb 0.39 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.66 2k4i h HIS 33 CO -0.42 1.16 0.33 0.82 0.86 0.00 0.00 177.93 180.69 2k4i h ILE 34 N 0.47 1.04 0.12 2.45 2.04 -0.83 -1.90 117.51 120.91 2k4i h ILE 34 Ca -0.00 -0.19 -0.28 0.00 1.00 0.00 0.00 64.86 65.39 2k4i h ILE 34 Cb 1.14 0.45 0.02 0.00 -0.74 0.00 0.00 36.82 37.68 2k4i h ILE 34 CO 0.11 0.10 -1.22 0.58 0.00 0.00 0.00 178.15 177.73 2k4i h VAL 35 N 0.54 1.38 0.00 1.67 2.07 -0.74 -3.05 116.25 118.12 2k4i h VAL 35 Ca 0.20 -2.71 -0.02 0.00 0.82 0.00 0.00 66.70 65.00 2k4i h VAL 35 Cb 0.14 2.78 -0.00 0.00 -1.52 0.00 0.00 31.29 32.68 2k4i h VAL 35 CO -0.05 0.81 -0.08 -0.25 0.02 0.00 0.00 177.57 178.01 2k4i h TRP 36 N 0.18 0.00 0.00 1.57 7.01 -0.64 -2.63 115.95 121.44 2k4i h TRP 36 Ca -0.16 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 60.84 2k4i h TRP 36 Cb 1.90 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.96 2k4i h TRP 36 CO 0.09 0.08 -0.00 0.00 -2.79 0.00 0.00 178.44 175.82 2k4i h ALA 37 N 1.92 -0.00 -0.86 2.65 0.00 -1.38 -3.32 119.26 118.26 2k4i h ALA 37 Ca -0.00 -0.44 0.17 0.00 0.00 0.00 0.00 54.91 54.64 2k4i h ALA 37 Cb 0.26 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 2k4i h ALA 37 CO 0.01 -0.00 0.57 0.00 0.00 0.00 0.00 179.25 179.82 2k4i h ALA 38 N -0.11 2.07 -0.12 0.00 0.00 -1.41 0.25 119.26 119.95 2k4i h ALA 38 Ca -0.00 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2k4i h ALA 38 Cb 0.88 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 2k4i h ALA 38 CO 0.00 -0.33 0.13 -0.91 0.00 0.00 0.00 179.25 178.14 2k4i h ASN 39 N 0.49 0.00 0.06 0.00 2.35 -1.57 -2.07 115.58 114.84 2k4i h ASN 39 Ca 0.44 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 56.09 2k4i h ASN 39 Cb 0.97 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.35 2k4i h ASN 39 CO -0.18 0.00 -0.43 0.50 -1.65 0.00 0.00 177.43 175.67 2k4i h LYS 40 N 0.00 0.18 -0.23 0.81 1.63 -0.64 -3.25 116.57 115.08 2k4i h LYS 40 Ca 0.06 -0.28 0.07 0.00 -0.85 0.00 0.00 60.65 59.64 2k4i h LYS 40 Cb 0.31 0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.03 2k4i h LYS 40 CO -0.00 1.10 0.37 -0.07 -3.45 0.00 0.00 179.45 177.40 2k4i h LEU 41 N -0.59 0.00 0.01 5.20 3.38 -1.27 -1.03 115.31 121.02 2k4i h LEU 41 Ca -0.07 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 2k4i h LEU 41 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 2k4i h LEU 41 CO 0.08 0.00 -0.01 -0.78 0.09 0.00 0.00 178.44 177.83 2k4i h ASP 42 N 0.00 -0.01 -0.68 -0.43 3.58 -1.54 0.28 116.42 117.62 2k4i h ASP 42 Ca 0.11 -0.69 0.20 0.00 0.42 0.00 0.00 57.03 57.06 2k4i h ASP 42 Cb 0.84 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.87 2k4i h ASP 42 CO -0.00 0.69 0.64 -0.09 -2.88 0.00 0.00 179.24 177.61 2k4i h ARG 43 N -0.73 0.00 0.01 0.28 1.12 -1.23 -1.78 114.38 112.05 2k4i h ARG 43 Ca -0.00 0.00 -0.40 0.00 -1.11 0.00 0.00 59.98 58.47 2k4i h ARG 43 Cb 0.70 0.00 -0.06 0.00 -0.01 0.00 0.00 29.97 30.60 2k4i h ARG 43 CO 0.00 0.00 -2.27 1.19 -3.11 0.00 0.00 179.97 175.79 2k4i n PHE 44 N -3.78 0.31 0.00 2.20 3.72 -1.16 -5.05 117.46 113.70 2k4i n PHE 44 Ca 0.14 0.10 0.00 0.00 -0.05 0.00 0.00 57.45 57.64 2k4i n PHE 44 Cb 0.89 -1.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.39 2k4i n PHE 44 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2k4i n GLY 45 N 1.66 4.42 3.18 1.37 0.00 0.91 -5.12 105.19 111.60 2k4i n GLY 45 Ca -0.46 -0.72 -0.46 0.00 0.00 0.00 0.00 46.02 44.38 2k4i n GLY 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k4i n LEU 46 N 0.00 -0.95 -4.75 0.99 4.32 -0.74 -4.75 117.00 111.11 2k4i n LEU 46 Ca 0.00 1.05 -0.41 0.00 -0.02 0.00 0.00 56.01 56.64 2k4i n LEU 46 Cb 0.00 -0.88 -0.04 0.00 -1.62 0.00 0.00 43.42 40.89 2k4i n LEU 46 CO 0.00 -2.59 0.86 0.00 -1.22 0.00 0.00 177.39 174.44 2k4i s ALA 47 N -0.76 3.44 0.21 -1.18 0.00 -1.26 -4.07 121.76 118.13 2k4i s ALA 47 Ca 0.64 0.99 0.18 0.00 0.00 0.00 0.00 51.96 53.77 2k4i s ALA 47 Cb -0.92 -3.39 0.68 0.00 0.00 0.00 0.00 23.12 19.49 2k4i s ALA 47 CO 0.52 -0.33 1.74 1.05 0.00 0.00 0.00 175.76 178.75 2k4i h GLU 48 N 4.17 0.00 0.00 0.00 4.11 -1.88 -2.76 114.58 118.22 2k4i h GLU 48 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 2k4i h GLU 48 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2k4i h GLU 48 CO 0.69 0.39 0.00 0.43 0.07 0.00 0.00 179.01 180.59 2k4i n SER 49 N -3.61 0.38 0.00 3.06 7.64 -1.26 -1.10 113.62 118.73 2k4i n SER 49 Ca -0.01 0.65 0.15 0.00 1.01 0.00 0.00 58.87 60.68 2k4i n SER 49 Cb 0.50 -0.71 0.92 0.00 -1.01 0.00 0.00 64.21 63.91 2k4i n SER 49 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2k4i n LEU 50 N -1.98 0.00 0.00 -3.43 4.77 -1.04 -3.12 117.00 112.20 2k4i n LEU 50 Ca 0.00 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.13 2k4i n LEU 50 Cb 0.08 -0.00 0.81 0.00 -2.33 0.00 0.00 43.42 41.97 2k4i n LEU 50 CO 0.09 -0.00 1.04 0.18 -1.33 0.00 0.00 177.39 177.38 2k4i n LEU 51 N -1.00 0.00 -0.82 2.23 4.77 -0.26 -2.82 117.00 119.10 2k4i n LEU 51 Ca 0.23 0.20 0.02 0.00 -0.03 0.00 0.00 56.01 56.44 2k4i n LEU 51 Cb 0.11 -0.20 0.20 0.00 -2.33 0.00 0.00 43.42 41.20 2k4i n LEU 51 CO 0.17 -0.00 0.59 -1.84 -1.33 0.00 0.00 177.39 174.98 2k4i n GLU 52 N -1.20 1.84 -3.73 3.23 0.28 -1.18 -4.90 120.64 114.97 2k4i n GLU 52 Ca 0.17 -3.09 -0.16 0.00 -0.16 0.00 0.00 57.16 53.92 2k4i n GLU 52 Cb 0.20 -1.72 -0.16 0.00 1.43 0.00 0.00 31.44 31.18 2k4i n GLU 52 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2k4i s SER 53 N -2.69 0.35 0.23 -1.84 0.15 -1.18 -5.04 113.70 103.69 2k4i s SER 53 Ca 0.41 0.11 -0.07 0.00 0.70 0.00 0.00 55.95 57.10 2k4i s SER 53 Cb 0.37 -0.02 0.41 0.00 -1.71 0.00 0.00 66.02 65.06 2k4i s SER 53 CO -0.00 -0.17 1.69 0.50 1.20 0.00 0.00 173.24 176.45 2k4i h LYS 54 N 7.65 0.25 -0.14 5.44 3.64 -1.92 0.19 116.57 131.67 2k4i h LYS 54 Ca -0.35 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 58.89 2k4i h LYS 54 Cb 1.12 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.88 2k4i h LYS 54 CO 0.37 0.16 -0.47 1.49 -2.27 0.00 0.00 179.45 178.73 2k4i h GLU 55 N 0.25 0.36 -0.32 1.90 4.22 -1.96 -2.27 114.58 116.76 2k4i h GLU 55 Ca 0.38 -0.19 -0.06 0.00 0.08 0.00 0.00 59.36 59.57 2k4i h GLU 55 Cb 0.63 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 2k4i h GLU 55 CO -0.49 0.75 -0.04 0.78 -2.18 0.00 0.00 179.01 177.83 2k4i h GLY 56 N 1.22 0.64 1.93 1.92 0.00 -1.00 -2.72 103.07 105.06 2k4i h GLY 56 Ca 0.02 -0.50 -0.11 0.00 0.00 0.00 0.00 47.33 46.73 2k4i h GLY 56 CO 0.08 0.46 -0.50 0.00 0.00 0.00 0.00 176.54 176.58 2k4i h GLN 58 N 0.06 0.86 0.00 0.00 -0.00 -1.29 -1.19 115.11 113.56 2k4i h GLN 58 Ca -0.00 -0.22 0.00 0.00 -0.00 0.00 0.00 58.65 58.43 2k4i h GLN 58 Cb 0.90 -0.11 0.00 0.00 0.00 0.00 0.00 27.48 28.28 2k4i h GLN 58 CO 0.07 0.83 0.00 1.17 0.00 0.00 0.00 178.83 180.89 2k4i n LYS 59 N -4.23 0.04 -0.07 1.69 4.81 -1.04 -2.87 118.16 116.49 2k4i n LYS 59 Ca 0.03 0.13 -0.22 0.00 -0.87 0.00 0.00 58.31 57.38 2k4i n LYS 59 Cb 0.28 -1.55 -0.12 0.00 0.02 0.00 0.00 35.03 33.65 2k4i n LYS 59 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 2k4i n ILE 60 N -1.61 1.63 0.28 3.15 5.41 -0.68 -3.93 119.36 123.60 2k4i n ILE 60 Ca 0.05 -0.38 0.16 0.00 1.00 0.00 0.00 62.75 63.58 2k4i n ILE 60 Cb 0.29 -1.83 0.81 0.00 -0.71 0.00 0.00 39.64 38.20 2k4i n ILE 60 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2k4i h LEU 61 N -0.46 0.00 -0.36 1.39 3.38 -1.28 -2.17 115.31 115.82 2k4i h LEU 61 Ca -0.45 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.33 2k4i h LEU 61 Cb 1.70 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.45 2k4i h LEU 61 CO -0.11 0.07 -0.79 0.00 0.09 0.00 0.00 178.44 177.70 2k4i h THR 62 N 0.00 1.41 0.00 0.22 1.03 -1.69 0.28 112.91 114.17 2k4i h THR 62 Ca -0.00 -2.29 -0.13 0.00 -0.01 0.00 0.00 66.41 63.98 2k4i h THR 62 Cb 0.34 2.24 -0.02 0.00 -1.07 0.00 0.00 68.15 69.64 2k4i h THR 62 CO 0.01 0.68 -0.65 0.58 -0.01 0.00 0.00 175.52 176.13 2k4i h VAL 63 N 0.22 0.98 0.00 0.00 2.07 -1.54 -3.26 116.25 114.71 2k4i h VAL 63 Ca -0.04 -2.41 0.00 0.00 0.82 0.00 0.00 66.70 65.07 2k4i h VAL 63 Cb 1.38 2.47 0.00 0.00 -1.52 0.00 0.00 31.29 33.62 2k4i h VAL 63 CO 0.13 0.56 -1.23 0.18 0.02 0.00 0.00 177.57 177.23 2k4i n LEU 64 N -3.22 0.54 0.37 2.57 4.77 -0.87 -4.01 117.00 117.15 2k4i n LEU 64 Ca 0.01 -0.01 -0.16 0.00 -0.03 0.00 0.00 56.01 55.82 2k4i n LEU 64 Cb 0.78 -0.06 -0.08 0.00 -2.33 0.00 0.00 43.42 41.72 2k4i n LEU 64 CO 0.42 0.02 0.53 0.44 -1.33 0.00 0.00 177.39 177.47 2k4i h ASP 65 N 0.00 -1.01 0.70 -1.43 3.32 -0.47 0.18 116.42 117.71 2k4i h ASP 65 Ca 0.00 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2k4i h ASP 65 Cb 0.81 0.29 0.00 0.00 0.22 0.00 0.00 39.33 40.64 2k4i h ASP 65 CO 0.00 -0.63 0.00 -0.81 -1.72 0.00 0.00 179.24 176.08 2k4i n PRO 66 N -4.98 0.18 0.00 3.56 -0.04 -1.26 -1.96 135.00 130.50 2k4i n PRO 66 Ca -0.13 0.42 0.12 0.00 -0.04 0.00 0.00 63.50 63.87 2k4i n PRO 66 Cb 0.42 -1.86 0.13 0.00 -0.04 0.00 0.00 33.50 32.16 2k4i n PRO 66 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2k4i n MET 67 N -2.20 1.53 0.21 0.54 2.81 -1.04 -4.36 117.12 114.61 2k4i n MET 67 Ca 0.02 -1.20 -0.17 0.00 -1.81 0.00 0.00 57.70 54.54 2k4i n MET 67 Cb 0.22 -1.48 -0.10 0.00 -0.71 0.00 0.00 33.22 31.16 2k4i n MET 67 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2k4i h VAL 68 N 2.92 0.01 -0.05 2.03 2.07 0.03 0.21 116.25 123.47 2k4i h VAL 68 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 2k4i h VAL 68 Cb 0.77 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.54 2k4i h VAL 68 CO 0.00 0.00 -0.05 1.55 0.02 0.00 0.00 177.57 179.09 2k4i h PRO 69 N -0.89 0.12 -1.00 1.57 0.13 -1.79 -3.12 132.00 127.02 2k4i h PRO 69 Ca -0.04 -0.06 -0.10 0.00 -0.87 0.00 0.00 66.00 64.93 2k4i h PRO 69 Cb 0.83 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.90 2k4i h PRO 69 CO -0.17 0.58 0.13 2.41 -0.23 0.00 0.00 178.00 180.72 2k4i n THR 70 N -4.75 1.44 -4.50 1.56 -1.04 -1.21 -4.79 114.28 100.98 2k4i n THR 70 Ca -0.08 -0.39 -0.23 0.00 -2.04 0.00 0.00 64.05 61.31 2k4i n THR 70 Cb 0.29 -0.88 -0.16 0.00 -1.82 0.00 0.00 70.33 67.75 2k4i n THR 70 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2k4i s GLY 71 N 0.51 0.71 1.12 3.41 0.00 0.74 -4.93 107.32 108.89 2k4i s GLY 71 Ca 0.12 -0.35 -0.19 0.00 0.00 0.00 0.00 44.72 44.30 2k4i s GLY 71 CO 0.02 0.13 -0.03 -1.14 0.00 0.00 0.00 173.10 172.09 2k4i n SER 72 N 3.76 -2.38 0.09 1.64 3.41 -1.26 -4.24 113.62 114.64 2k4i n SER 72 Ca -0.23 -0.13 0.17 0.00 -0.26 0.00 0.00 58.87 58.42 2k4i n SER 72 Cb 0.52 -0.95 0.69 0.00 -0.26 0.00 0.00 64.21 64.22 2k4i n SER 72 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2k4i h GLU 73 N -2.06 0.00 0.00 4.33 4.11 -1.98 0.28 114.58 119.25 2k4i h GLU 73 Ca -0.54 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.88 2k4i h GLU 73 Cb 1.36 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.61 2k4i h GLU 73 CO 0.38 0.00 -0.04 -0.91 0.07 0.00 0.00 179.01 178.51 2k4i h ASN 74 N 0.00 0.00 0.00 3.06 4.21 -2.01 -2.32 115.58 118.52 2k4i h ASN 74 Ca 0.17 0.00 -0.12 0.00 1.21 0.00 0.00 56.30 57.56 2k4i h ASN 74 Cb 0.70 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.88 2k4i h ASN 74 CO -0.00 0.04 -0.98 -0.11 -1.29 0.00 0.00 177.43 175.09 2k4i n LEU 75 N -3.17 1.85 -0.24 1.61 0.00 0.89 -4.05 117.00 113.89 2k4i n LEU 75 Ca 0.00 0.51 0.20 0.00 0.00 0.00 0.00 56.01 56.72 2k4i n LEU 75 Cb 0.30 -0.89 0.52 0.00 0.00 0.00 0.00 43.42 43.35 2k4i n LEU 75 CO 0.28 -0.11 1.22 0.50 0.00 0.00 0.00 177.39 179.28 2k4i h LYS 76 N -1.00 0.37 -0.01 1.96 3.64 -1.39 -1.00 116.57 119.14 2k4i h LYS 76 Ca -0.18 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.19 2k4i h LYS 76 Cb 0.92 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 2k4i h LYS 76 CO -0.11 0.25 -0.05 0.77 -2.27 0.00 0.00 179.45 178.04 2k4i h SER 77 N 0.38 -0.15 -0.53 4.20 0.02 -1.60 -2.14 113.55 113.74 2k4i h SER 77 Ca 0.47 0.03 0.02 0.00 -0.84 0.00 0.00 61.79 61.47 2k4i h SER 77 Cb 1.21 0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.79 2k4i h SER 77 CO -0.17 -0.08 0.35 0.25 -1.14 0.00 0.00 176.83 176.04 2k4i h LEU 78 N -0.08 0.55 -1.64 5.07 5.85 -1.33 -1.15 115.31 122.57 2k4i h LEU 78 Ca 0.03 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2k4i h LEU 78 Cb 0.12 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 2k4i h LEU 78 CO -0.06 0.38 0.13 0.15 -0.34 0.00 0.00 178.44 178.69 2k4i h PHE 79 N 0.64 0.35 -0.19 1.25 3.57 -1.03 -0.29 116.94 121.24 2k4i h PHE 79 Ca 0.21 -0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.56 2k4i h PHE 79 Cb 0.04 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.67 2k4i h PHE 79 CO -0.00 0.27 -0.45 -0.91 -2.23 0.00 0.00 178.31 174.98 2k4i h ASN 80 N 0.37 0.73 0.29 0.41 2.35 -0.90 -2.75 115.58 116.08 2k4i h ASN 80 Ca 0.09 -0.57 -0.01 0.00 -0.55 0.00 0.00 56.30 55.26 2k4i h ASN 80 Cb 0.05 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.21 2k4i h ASN 80 CO -0.01 1.16 -0.14 0.74 -1.65 0.00 0.00 177.43 177.53 2k4i h THR 81 N 0.33 0.72 -0.31 2.81 2.02 -1.21 -2.92 112.91 114.34 2k4i h THR 81 Ca -0.00 -0.62 0.09 0.00 0.77 0.00 0.00 66.41 66.65 2k4i h THR 81 Cb 1.06 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 68.50 2k4i h THR 81 CO 0.10 0.12 0.34 0.58 0.37 0.00 0.00 175.52 177.03 2k4i h VAL 82 N -0.75 0.42 -0.27 3.16 2.07 -1.17 0.90 116.25 120.61 2k4i h VAL 82 Ca -0.04 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.32 2k4i h VAL 82 Cb 0.50 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2k4i h VAL 82 CO 0.07 0.00 -0.47 0.00 0.02 0.00 0.00 177.57 177.19 2k4i h VAL 84 N 0.57 1.32 -0.66 0.00 2.07 -0.73 -3.16 116.25 115.66 2k4i h VAL 84 Ca 0.03 -2.29 0.06 0.00 0.82 0.00 0.00 66.70 65.32 2k4i h VAL 84 Cb 1.03 2.36 -0.04 0.00 -1.52 0.00 0.00 31.29 33.12 2k4i h VAL 84 CO 0.10 0.70 0.44 0.40 0.02 0.00 0.00 177.57 179.23 2k4i h ILE 85 N 0.35 1.00 -0.34 4.57 1.08 -1.33 -1.84 117.51 121.01 2k4i h ILE 85 Ca -0.11 -0.23 -0.13 0.00 -0.39 0.00 0.00 64.86 64.01 2k4i h ILE 85 Cb 1.63 0.29 -0.01 0.00 -3.07 0.00 0.00 36.82 35.66 2k4i h ILE 85 CO 0.19 0.12 -0.31 -0.25 -0.69 0.00 0.00 178.15 177.21 2k4i h TRP 86 N 0.66 0.97 0.00 1.37 7.01 -1.53 -2.75 115.95 121.67 2k4i h TRP 86 Ca 0.29 -0.28 0.00 0.00 2.11 0.00 0.00 58.89 61.00 2k4i h TRP 86 Cb 0.28 -0.21 0.00 0.00 -2.10 0.00 0.00 29.16 27.14 2k4i h TRP 86 CO -0.00 1.06 0.00 0.00 -2.79 0.00 0.00 178.44 176.71 2k4i h ILE 88 N 0.00 1.40 0.00 0.00 2.04 -1.20 0.15 117.51 119.90 2k4i h ILE 88 Ca 0.00 -2.85 -0.10 0.00 1.00 0.00 0.00 64.86 62.91 2k4i h ILE 88 Cb 0.07 2.94 -0.02 0.00 -0.74 0.00 0.00 36.82 39.07 2k4i h ILE 88 CO 0.00 0.84 -1.08 0.45 0.00 0.00 0.00 178.15 178.36 2k4i h HIS 89 N 0.13 0.00 -0.28 1.37 3.86 -1.28 -3.30 115.15 115.65 2k4i h HIS 89 Ca -0.18 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.03 2k4i h HIS 89 Cb 2.02 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.49 2k4i h HIS 89 CO 0.09 0.38 0.00 0.00 0.86 0.00 0.00 177.93 179.26 2k4i n ALA 90 N -2.29 2.46 -1.43 2.45 0.00 0.05 -4.87 120.51 116.87 2k4i n ALA 90 Ca -0.04 -0.49 -0.15 0.00 0.00 0.00 0.00 53.44 52.76 2k4i n ALA 90 Cb 0.73 -0.98 -0.06 0.00 0.00 0.00 0.00 19.45 19.13 2k4i n ALA 90 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2k4i n GLU 91 N 0.32 -1.15 -3.00 0.00 2.13 -1.22 -4.97 120.64 112.75 2k4i n GLU 91 Ca 0.09 1.01 -0.38 0.00 0.66 0.00 0.00 57.16 58.54 2k4i n GLU 91 Cb 0.24 -5.19 -0.06 0.00 0.27 0.00 0.00 31.44 26.70 2k4i n GLU 91 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2k4i s GLU 92 N -3.21 4.47 -0.07 5.31 0.41 0.51 -5.03 118.70 121.10 2k4i s GLU 92 Ca 0.00 1.08 0.04 0.00 -0.41 0.00 0.00 54.97 55.68 2k4i s GLU 92 Cb 0.00 -3.09 -0.02 0.00 -1.78 0.00 0.00 34.13 29.25 2k4i s GLU 92 CO 0.00 0.48 -0.18 0.21 -0.49 0.00 0.00 175.26 175.28 2k4i s LYS 93 N -1.52 2.67 0.07 1.61 2.36 -1.26 -4.38 119.74 119.29 2k4i s LYS 93 Ca 0.40 -0.78 -0.05 0.00 -2.55 0.00 0.00 55.97 52.99 2k4i s LYS 93 Cb -0.21 -2.33 -0.02 0.00 -1.05 0.00 0.00 37.83 34.22 2k4i s LYS 93 CO 0.24 0.46 0.08 0.14 1.55 0.00 0.00 175.35 177.82 2k4i s VAL 94 N -0.32 0.17 -0.15 4.02 -7.23 -1.26 -4.99 120.40 110.64 2k4i s VAL 94 Ca 0.02 -1.44 0.17 0.00 -1.81 0.00 0.00 61.98 58.92 2k4i s VAL 94 Cb -0.13 -1.36 -0.25 0.00 0.56 0.00 0.00 36.38 35.21 2k4i s VAL 94 CO 0.02 -0.80 0.26 1.17 -0.31 0.00 0.00 175.10 175.45 2k4i n LYS 95 N 0.11 0.67 -2.78 4.82 4.81 -1.26 -4.60 118.16 119.93 2k4i n LYS 95 Ca -0.15 0.05 -0.07 0.00 -0.87 0.00 0.00 58.31 57.27 2k4i n LYS 95 Cb 0.61 -1.59 -0.03 0.00 0.02 0.00 0.00 35.03 34.05 2k4i n LYS 95 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2k4i n ASP 96 N -2.78 -0.26 0.04 3.14 5.68 -1.26 -2.18 116.55 118.93 2k4i n ASP 96 Ca -0.26 -1.77 -0.19 0.00 -0.50 0.00 0.00 54.79 52.06 2k4i n ASP 96 Cb 1.08 0.60 -0.14 0.00 -1.14 0.00 0.00 41.12 41.51 2k4i n ASP 96 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 2k4i h THR 97 N 1.38 1.53 -0.96 2.12 2.02 -1.10 -3.25 112.91 114.64 2k4i h THR 97 Ca -0.08 -2.47 0.19 0.00 0.77 0.00 0.00 66.41 64.82 2k4i h THR 97 Cb 0.42 3.15 -0.09 0.00 -1.74 0.00 0.00 68.15 69.89 2k4i h THR 97 CO 0.12 0.70 0.61 -0.33 0.37 0.00 0.00 175.52 176.98 2k4i h GLU 98 N -0.39 0.61 -0.30 6.66 4.39 -1.86 -0.81 114.58 122.88 2k4i h GLU 98 Ca -0.12 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.49 2k4i h GLU 98 Cb 1.55 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 30.06 2k4i h GLU 98 CO 0.14 0.40 -0.01 0.78 -1.16 0.00 0.00 179.01 179.16 2k4i h GLY 99 N 0.63 0.57 1.14 -3.84 0.00 -1.97 -2.75 103.07 96.85 2k4i h GLY 99 Ca 0.52 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 47.38 2k4i h GLY 99 CO -0.27 0.39 0.32 0.00 0.00 0.00 0.00 176.54 176.98 2k4i h ALA 100 N 0.83 1.15 -0.21 3.60 0.00 -1.23 -2.19 119.26 121.21 2k4i h ALA 100 Ca 0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2k4i h ALA 100 Cb 0.45 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2k4i h ALA 100 CO 0.02 0.62 0.02 -0.22 0.00 0.00 0.00 179.25 179.69 2k4i h LYS 101 N 1.08 0.30 -0.19 0.00 3.64 -1.14 -2.33 116.57 117.92 2k4i h LYS 101 Ca 0.25 -0.04 -0.18 0.00 -1.27 0.00 0.00 60.65 59.42 2k4i h LYS 101 Cb 0.17 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2k4i h LYS 101 CO -0.03 0.31 -0.57 0.37 -2.27 0.00 0.00 179.45 177.26 2k4i h GLN 102 N 0.30 0.72 -0.62 1.90 4.15 -1.11 -2.28 115.11 118.16 2k4i h GLN 102 Ca 0.07 -0.52 0.01 0.00 0.77 0.00 0.00 58.65 58.97 2k4i h GLN 102 Cb 0.17 0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.92 2k4i h GLN 102 CO 0.00 1.14 0.41 0.82 -1.93 0.00 0.00 178.83 179.27 2k4i h ILE 103 N 0.44 1.16 0.14 2.39 2.04 -1.01 0.86 117.51 123.53 2k4i h ILE 103 Ca -0.02 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 2k4i h ILE 103 Cb 1.19 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 2k4i h ILE 103 CO 0.12 0.16 -0.07 0.58 0.00 0.00 0.00 178.15 178.94 2k4i h VAL 104 N 0.85 1.00 0.00 1.67 2.07 -1.46 -1.08 116.25 119.30 2k4i h VAL 104 Ca 0.23 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 67.09 2k4i h VAL 104 Cb -0.09 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 2k4i h VAL 104 CO -0.05 0.15 0.00 -0.09 0.02 0.00 0.00 177.57 177.61 2k4i h ARG 105 N -0.50 0.00 0.09 1.57 2.43 -1.29 -2.16 114.38 114.51 2k4i h ARG 105 Ca -0.02 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 58.92 2k4i h ARG 105 Cb 0.40 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 2k4i h ARG 105 CO 0.03 0.00 -1.16 -0.09 -1.51 0.00 0.00 179.97 177.24 2k4i h ARG 106 N 0.00 0.18 -0.09 0.20 2.43 -0.50 -3.29 114.38 113.30 2k4i h ARG 106 Ca 0.00 -0.31 -0.08 0.00 -0.81 0.00 0.00 59.98 58.78 2k4i h ARG 106 Cb 0.18 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 2k4i h ARG 106 CO 0.00 1.15 -0.32 0.45 -1.51 0.00 0.00 179.97 179.74 2k4i h HIS 107 N -0.51 0.20 -0.38 2.20 3.86 -0.85 -2.22 115.15 117.46 2k4i h HIS 107 Ca -0.26 -0.04 -0.10 0.00 -1.16 0.00 0.00 60.37 58.81 2k4i h HIS 107 Cb 1.58 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 29.99 2k4i h HIS 107 CO 0.15 0.48 -0.18 -0.07 0.86 0.00 0.00 177.93 179.17 2k4i h LEU 108 N 0.16 0.71 -0.52 2.43 3.38 -1.55 -1.13 115.31 118.79 2k4i h LEU 108 Ca 0.02 -0.23 -0.16 0.00 0.09 0.00 0.00 57.88 57.60 2k4i h LEU 108 Cb 0.64 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2k4i h LEU 108 CO 0.05 0.89 -0.74 0.58 0.09 0.00 0.00 178.44 179.31 2k4i h VAL 109 N 0.63 1.52 0.00 1.22 2.07 -1.57 -2.26 116.25 117.87 2k4i h VAL 109 Ca 0.10 -2.51 -0.12 0.00 0.82 0.00 0.00 66.70 64.98 2k4i h VAL 109 Cb 0.66 2.36 -0.02 0.00 -1.52 0.00 0.00 31.29 32.76 2k4i h VAL 109 CO 0.05 0.72 -0.59 0.00 0.02 0.00 0.00 177.57 177.77 2k4i h ALA 110 N 1.25 0.68 0.00 1.67 0.00 -1.16 -1.41 119.26 120.30 2k4i h ALA 110 Ca -0.01 -0.54 -0.22 0.00 0.00 0.00 0.00 54.91 54.15 2k4i h ALA 110 Cb 1.31 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 2k4i h ALA 110 CO 0.10 0.74 -1.15 0.93 0.00 0.00 0.00 179.25 179.86 2k4i h GLU 111 N 0.00 0.00 0.00 0.00 5.08 -1.15 -3.30 114.58 115.22 2k4i h GLU 111 Ca -0.01 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 2k4i h GLU 111 Cb 1.35 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.58 2k4i h GLU 111 CO 0.08 0.76 -1.13 1.15 -1.00 0.00 0.00 179.01 178.86 2k4i h THR 112 N 0.00 0.52 -0.40 1.13 2.02 -1.43 -3.32 112.91 111.44 2k4i h THR 112 Ca -0.09 -1.92 -0.05 0.00 0.77 0.00 0.00 66.41 65.12 2k4i h THR 112 Cb 1.78 2.07 -0.03 0.00 -1.74 0.00 0.00 68.15 70.22 2k4i h THR 112 CO 0.10 0.30 0.06 0.61 0.37 0.00 0.00 175.52 176.96 2k4i n GLY 113 N 1.33 2.61 1.47 2.16 0.00 -0.53 -4.11 105.19 108.11 2k4i n GLY 113 Ca -0.06 -0.60 -0.09 0.00 0.00 0.00 0.00 46.02 45.27 2k4i n GLY 113 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2k4i n THR 114 N 0.26 2.73 -2.65 2.61 5.66 -1.24 -4.50 114.28 117.15 2k4i n THR 114 Ca 0.21 -2.44 -0.02 0.00 -3.05 0.00 0.00 64.05 58.75 2k4i n THR 114 Cb 0.91 -0.36 0.11 0.00 -1.55 0.00 0.00 70.33 69.45 2k4i n THR 114 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k4i n ALA 115 N -1.05 2.11 0.07 1.79 0.00 -1.26 -4.93 120.51 117.24 2k4i n ALA 115 Ca 0.40 -0.90 0.00 0.00 0.00 0.00 0.00 53.44 52.94 2k4i n ALA 115 Cb 1.21 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.86 2k4i n ALA 115 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2k4i n GLU 116 N -1.28 0.00 0.08 0.00 2.13 -1.26 -4.91 120.64 115.41 2k4i n GLU 116 Ca -0.15 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.58 2k4i n GLU 116 Cb 0.83 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.50 2k4i n GLU 116 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 2k4i h LYS 117 N 0.00 0.19 -5.63 5.31 1.79 -1.94 -3.48 116.57 112.80 2k4i h LYS 117 Ca 0.00 -0.24 -0.18 0.00 -2.18 0.00 0.00 60.65 58.05 2k4i h LYS 117 Cb 0.00 0.07 0.07 0.00 -1.58 0.00 0.00 32.23 30.80 2k4i h LYS 117 CO 0.00 1.01 -0.49 -1.33 -1.08 0.00 0.00 179.45 177.56 2k4i n MET 118 N -3.60 -1.61 -2.05 3.15 2.81 -1.26 -4.96 117.12 109.60 2k4i n MET 118 Ca -0.04 1.10 -0.34 0.00 -1.81 0.00 0.00 57.70 56.60 2k4i n MET 118 Cb 0.86 -5.26 0.02 0.00 -0.71 0.00 0.00 33.22 28.13 2k4i n MET 118 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 2k4i s PRO 119 N -4.01 3.12 -0.15 0.03 0.04 -1.26 -5.03 135.00 127.74 2k4i s PRO 119 Ca 0.21 1.52 -0.10 0.00 0.04 0.00 0.00 61.00 62.67 2k4i s PRO 119 Cb -0.04 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.47 2k4i s PRO 119 CO 0.78 -1.02 0.17 -1.54 0.04 0.00 0.00 177.00 175.43 2k4i s SER 120 N -2.12 6.35 0.24 6.66 1.04 -1.26 -5.07 113.70 119.54 2k4i s SER 120 Ca 0.70 0.40 -0.30 0.00 0.48 0.00 0.00 55.95 57.24 2k4i s SER 120 Cb -0.22 -2.10 -0.09 0.00 0.10 0.00 0.00 66.02 63.70 2k4i s SER 120 CO 0.33 0.27 1.26 -0.89 0.98 0.00 0.00 173.24 175.19 2k4i s THR 121 N -0.25 3.18 0.37 2.02 2.01 -1.26 -5.04 115.64 116.68 2k4i s THR 121 Ca 0.13 1.06 0.05 0.00 0.31 0.00 0.00 61.69 63.23 2k4i s THR 121 Cb -0.12 -3.67 -0.06 0.00 0.01 0.00 0.00 72.50 68.65 2k4i s THR 121 CO 0.02 0.20 0.04 -0.44 -0.69 0.00 0.00 174.62 173.75 2k4i s SER 122 N -0.10 3.08 0.41 3.53 0.01 -1.26 -5.14 113.70 114.23 2k4i s SER 122 Ca 0.52 -1.41 -0.23 0.00 1.31 0.00 0.00 55.95 56.14 2k4i s SER 122 Cb -0.36 -0.13 -0.09 0.00 0.21 0.00 0.00 66.02 65.64 2k4i s SER 122 CO 0.42 -0.58 1.01 -0.13 0.41 0.00 0.00 173.24 174.37 2k4i s ARG 123 N -3.81 4.19 0.74 12.44 3.00 -1.26 -5.06 118.95 129.20 2k4i s ARG 123 Ca 0.33 1.39 -0.12 0.00 0.00 0.00 0.00 55.73 57.33 2k4i s ARG 123 Cb 0.08 -2.45 0.18 0.00 0.00 0.00 0.00 34.95 32.77 2k4i s ARG 123 CO 0.16 -0.10 0.66 -0.35 0.00 0.00 0.00 175.30 175.67 2k4i n PRO 124 N -0.20 -2.31 -5.21 3.54 -0.04 -1.26 -5.07 135.00 124.45 2k4i n PRO 124 Ca 0.05 -1.06 -0.30 0.00 -0.04 0.00 0.00 63.50 62.16 2k4i n PRO 124 Cb 0.51 -0.99 -0.16 0.00 -0.04 0.00 0.00 33.50 32.82 2k4i n PRO 124 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2k4i s THR 125 N -2.20 1.92 0.86 0.52 -1.32 -1.26 -5.12 115.64 109.04 2k4i s THR 125 Ca 0.43 -1.03 -0.13 0.00 -1.21 0.00 0.00 61.69 59.75 2k4i s THR 125 Cb -0.04 -1.60 0.05 0.00 -1.51 0.00 0.00 72.50 69.40 2k4i s THR 125 CO 0.33 0.54 0.75 0.00 -2.21 0.00 0.00 174.62 174.03 2k4i n ALA 126 N 2.62 -1.44 -1.77 11.08 0.00 -1.26 -4.93 120.51 124.82 2k4i n ALA 126 Ca -0.16 -0.46 -0.40 0.00 0.00 0.00 0.00 53.44 52.42 2k4i n ALA 126 Cb 0.52 -1.99 -0.03 0.00 0.00 0.00 0.00 19.45 17.95 2k4i n ALA 126 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2k4i s PRO 127 N -3.74 4.43 -0.13 0.00 0.04 -1.26 -5.03 135.00 129.31 2k4i s PRO 127 Ca 0.64 2.04 -0.09 0.00 0.04 0.00 0.00 61.00 63.64 2k4i s PRO 127 Cb -0.26 -3.08 -0.04 0.00 0.04 0.00 0.00 34.50 31.15 2k4i s PRO 127 CO 0.60 -0.06 0.18 0.45 0.04 0.00 0.00 177.00 178.21 2k4i s SER 128 N -0.67 6.39 0.68 6.66 0.15 -1.26 -5.09 113.70 120.55 2k4i s SER 128 Ca 0.48 0.46 -0.11 0.00 0.70 0.00 0.00 55.95 57.48 2k4i s SER 128 Cb -0.36 -2.10 -0.00 0.00 -1.71 0.00 0.00 66.02 61.84 2k4i s SER 128 CO 0.48 0.32 1.06 -0.44 1.20 0.00 0.00 173.24 175.85 2k4i s SER 129 N -0.55 5.65 -1.04 5.45 0.01 -1.26 -4.28 113.70 117.67 2k4i s SER 129 Ca 0.14 1.41 -0.13 0.00 1.31 0.00 0.00 55.95 58.68 2k4i s SER 129 Cb -0.12 -2.33 -0.02 0.00 0.21 0.00 0.00 66.02 63.75 2k4i s SER 129 CO 0.03 -1.24 0.81 1.21 0.41 0.00 0.00 173.24 174.46 2k4i n GLU 130 N -2.98 -1.54 -3.79 12.44 4.07 -1.26 -5.01 120.64 122.58 2k4i n GLU 130 Ca 0.07 0.72 -0.19 0.00 -0.06 0.00 0.00 57.16 57.69 2k4i n GLU 130 Cb 0.55 -4.69 -0.17 0.00 -0.06 0.00 0.00 31.44 27.06 2k4i n GLU 130 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 2k4i s LYS 131 N -5.10 0.21 0.00 5.31 2.47 -1.26 -5.12 119.74 116.26 2k4i s LYS 131 Ca 0.39 0.20 0.00 0.00 -1.56 0.00 0.00 55.97 55.00 2k4i s LYS 131 Cb -0.11 -0.59 0.00 0.00 -1.46 0.00 0.00 37.83 35.67 2k4i s LYS 131 CO 0.82 -0.25 0.00 0.41 0.16 0.00 0.00 175.35 176.49 2k4i n GLY 132 N 4.80 3.58 1.22 5.54 0.00 -1.26 -5.09 105.19 113.98 2k4i n GLY 132 Ca -0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 46.02 45.75 2k4i n GLY 132 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4i n GLY 133 N -0.36 -0.38 3.11 -0.02 0.00 -1.26 -5.16 105.19 101.13 2k4i n GLY 133 Ca 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 2k4i n GLY 133 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2k4i s ASN 134 N -0.20 0.34 0.00 1.61 -0.87 -1.26 -5.39 114.94 109.17 2k4i s ASN 134 Ca 0.01 -0.81 0.00 0.00 -1.57 0.00 0.00 52.86 50.49 2k4i s ASN 134 Cb 0.05 0.23 0.00 0.00 -0.02 0.00 0.00 41.25 41.50 2k4i s ASN 134 CO -0.01 -0.59 0.00 -1.22 -2.57 0.00 0.00 177.10 172.71