#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 3.49 -1.70 4.61 0.00 -1.26 -4.34 121.76 122.55 2k4i s ALA 3 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 51.96 50.60 2k4i s ALA 3 Cb 0.00 -2.62 0.00 0.00 0.00 0.00 0.00 23.12 20.50 2k4i s ALA 3 CO 0.00 -0.93 0.00 -2.13 0.00 0.00 0.00 175.76 172.70 2k4i n ARG 4 N 5.09 -1.65 -3.09 0.00 0.63 -1.26 -3.30 116.66 113.08 2k4i n ARG 4 Ca -0.13 0.95 -0.19 0.00 -0.92 0.00 0.00 57.85 57.57 2k4i n ARG 4 Cb 0.50 -5.45 0.02 0.00 0.45 0.00 0.00 32.46 27.98 2k4i n ARG 4 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2k4i n ASN 5 N -1.51 -7.08 -0.84 6.15 5.15 -1.26 -4.73 115.26 111.14 2k4i n ASN 5 Ca -0.20 0.27 0.00 0.00 -0.60 0.00 0.00 54.58 54.05 2k4i n ASN 5 Cb 0.62 -4.08 0.00 0.00 -0.53 0.00 0.00 39.78 35.80 2k4i n ASN 5 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2k4i n SER 6 N -0.33 -5.12 -0.11 1.20 7.64 -1.21 -4.71 113.62 110.99 2k4i n SER 6 Ca 0.04 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.71 2k4i n SER 6 Cb 0.54 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.66 2k4i n SER 6 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2k4i n VAL 7 N -1.67 1.16 -2.69 0.44 0.31 -1.26 -4.89 118.33 109.73 2k4i n VAL 7 Ca 0.00 -0.32 -0.23 0.00 -0.01 0.00 0.00 64.34 63.78 2k4i n VAL 7 Cb 0.00 -1.69 0.11 0.00 -0.91 0.00 0.00 33.84 31.36 2k4i n VAL 7 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 2k4i s LEU 8 N -6.97 2.94 -0.09 7.52 -0.00 -1.26 -4.92 118.68 115.90 2k4i s LEU 8 Ca -0.29 -0.57 0.03 0.00 -0.00 0.00 0.00 54.13 53.30 2k4i s LEU 8 Cb 0.11 -1.69 0.10 0.00 -0.00 0.00 0.00 46.19 44.71 2k4i s LEU 8 CO 0.39 -1.90 0.73 -1.14 -0.00 0.00 0.00 176.35 174.43 2k4i n ARG 9 N -2.80 0.34 0.00 1.48 0.00 -1.26 -4.90 116.66 109.52 2k4i n ARG 9 Ca 0.17 -0.34 0.00 0.00 -0.00 0.00 0.00 57.85 57.67 2k4i n ARG 9 Cb 0.61 0.18 0.00 0.00 0.00 0.00 0.00 32.46 33.25 2k4i n ARG 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2k4i n GLY 10 N -0.39 2.35 0.08 5.14 0.00 -1.26 -4.69 105.19 106.43 2k4i n GLY 10 Ca -0.06 -0.31 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 2k4i n GLY 10 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2k4i h LYS 11 N 0.00 0.00 0.00 1.61 1.63 -1.99 -3.32 116.57 114.50 2k4i h LYS 11 Ca 0.00 -0.01 -0.27 0.00 -0.85 0.00 0.00 60.65 59.52 2k4i h LYS 11 Cb 0.00 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.59 2k4i h LYS 11 CO 0.00 0.53 -1.56 1.63 -3.45 0.00 0.00 179.45 176.60 2k4i n LYS 12 N -3.07 0.56 -0.30 1.90 4.76 -1.26 -4.25 118.16 116.50 2k4i n LYS 12 Ca -0.16 0.47 0.29 0.00 -2.87 0.00 0.00 58.31 56.04 2k4i n LYS 12 Cb 1.05 -1.66 0.65 0.00 -1.84 0.00 0.00 35.03 33.22 2k4i n LYS 12 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2k4i h ALA 13 N -0.69 2.71 0.51 7.82 0.00 -1.91 -1.08 119.26 126.62 2k4i h ALA 13 Ca -0.41 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2k4i h ALA 13 Cb 1.32 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 2k4i h ALA 13 CO -0.25 -1.06 -0.40 -0.44 0.00 0.00 0.00 179.25 177.09 2k4i h ASP 14 N 0.16 -1.06 -0.61 0.00 5.19 -1.74 0.22 116.42 118.58 2k4i h ASP 14 Ca 0.55 0.08 0.02 0.00 -0.62 0.00 0.00 57.03 57.06 2k4i h ASP 14 Cb 1.86 0.34 -0.04 0.00 0.18 0.00 0.00 39.33 41.67 2k4i h ASP 14 CO -0.13 -0.58 0.38 -0.33 -3.12 0.00 0.00 179.24 175.46 2k4i h GLU 15 N -0.90 0.74 -0.78 3.56 3.07 -1.40 -2.03 114.58 116.84 2k4i h GLU 15 Ca -0.05 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.77 2k4i h GLU 15 Cb 0.76 -0.17 -0.04 0.00 -0.84 0.00 0.00 28.75 28.47 2k4i h GLU 15 CO -0.00 0.49 0.51 1.25 -1.40 0.00 0.00 179.01 179.85 2k4i h LEU 16 N 0.76 0.91 0.00 1.33 7.12 -1.18 0.36 115.31 124.61 2k4i h LEU 16 Ca 0.24 -0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.22 2k4i h LEU 16 Cb -0.01 -0.23 0.00 0.00 -0.53 0.00 0.00 40.66 39.89 2k4i h LEU 16 CO -0.08 0.67 0.00 1.21 -0.13 0.00 0.00 178.44 180.10 2k4i n GLU 17 N -4.41 0.34 -0.04 1.25 2.13 0.74 -3.19 120.64 117.47 2k4i n GLU 17 Ca 0.09 0.06 -0.21 0.00 0.66 0.00 0.00 57.16 57.76 2k4i n GLU 17 Cb 0.04 -1.50 -0.13 0.00 0.27 0.00 0.00 31.44 30.12 2k4i n GLU 17 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 2k4i n ARG 18 N -1.28 0.71 -1.64 5.31 0.63 0.07 -4.57 116.66 115.89 2k4i n ARG 18 Ca 0.11 0.26 -0.43 0.00 -0.92 0.00 0.00 57.85 56.87 2k4i n ARG 18 Cb 0.19 -1.66 -0.01 0.00 0.45 0.00 0.00 32.46 31.44 2k4i n ARG 18 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 2k4i n ILE 19 N -3.53 2.08 -4.07 5.15 5.41 -0.90 -4.82 119.36 118.68 2k4i n ILE 19 Ca -0.36 -0.50 -0.30 0.00 1.00 0.00 0.00 62.75 62.58 2k4i n ILE 19 Cb 1.00 -1.26 -0.07 0.00 -0.71 0.00 0.00 39.64 38.60 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 -1.77 2.82 0.60 0.38 0.52 -0.56 -1.29 118.95 119.65 2k4i s ARG 20 Ca 0.58 -0.73 0.38 0.00 -0.52 0.00 0.00 55.73 55.45 2k4i s ARG 20 Cb -0.62 -2.69 1.83 0.00 0.52 0.00 0.00 34.95 33.99 2k4i s ARG 20 CO 0.60 0.56 2.15 -0.07 0.02 0.00 0.00 175.30 178.56 2k4i h LEU 21 N 3.30 0.00 -7.94 2.53 3.38 -0.85 -0.36 115.31 115.36 2k4i h LEU 21 Ca -0.47 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.40 2k4i h LEU 21 Cb 1.16 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.77 2k4i h LEU 21 CO 0.65 0.00 -0.44 -0.13 0.09 0.00 0.00 178.44 178.61 2k4i s ARG 22 N -3.88 0.83 0.27 1.13 0.52 -1.26 -4.33 118.95 112.24 2k4i s ARG 22 Ca -0.01 -1.05 0.05 0.00 -0.52 0.00 0.00 55.73 54.20 2k4i s ARG 22 Cb 0.11 0.32 0.38 0.00 0.52 0.00 0.00 34.95 36.27 2k4i s ARG 22 CO 0.49 -0.25 1.65 -1.00 0.02 0.00 0.00 175.30 176.21 2k4i h PRO 23 N 2.82 0.27 -0.15 3.54 0.13 -1.96 -3.20 132.00 133.44 2k4i h PRO 23 Ca -0.34 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2k4i h PRO 23 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2k4i h PRO 23 CO 0.58 0.68 0.00 0.41 -0.23 0.00 0.00 178.00 179.43 2k4i n GLY 24 N -0.05 1.38 3.99 1.56 0.00 -1.26 -5.03 105.19 105.77 2k4i n GLY 24 Ca -0.02 -0.25 -0.25 0.00 0.00 0.00 0.00 46.02 45.50 2k4i n GLY 24 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k4i s GLY 25 N -0.86 1.76 -0.00 -0.02 0.00 -1.21 -5.04 107.32 101.95 2k4i s GLY 25 Ca 0.13 -1.74 0.03 0.00 0.00 0.00 0.00 44.72 43.15 2k4i s GLY 25 CO 0.11 -1.09 0.10 1.17 0.00 0.00 0.00 173.10 173.39 2k4i n LYS 26 N -3.07 2.58 -1.82 2.90 4.81 -1.26 -4.82 118.16 117.48 2k4i n LYS 26 Ca 0.16 -0.02 -0.42 0.00 -0.87 0.00 0.00 58.31 57.17 2k4i n LYS 26 Cb 0.60 -0.90 -0.03 0.00 0.02 0.00 0.00 35.03 34.73 2k4i n LYS 26 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2k4i s LYS 27 N -1.84 4.17 0.00 1.64 1.02 -1.26 -4.93 119.74 118.54 2k4i s LYS 27 Ca -0.00 2.47 0.03 0.00 0.02 0.00 0.00 55.97 58.49 2k4i s LYS 27 Cb 0.02 -3.54 -0.03 0.00 -0.52 0.00 0.00 37.83 33.76 2k4i s LYS 27 CO 0.14 -0.78 -0.07 0.15 -0.92 0.00 0.00 175.35 173.88 2k4i s LYS 28 N 2.52 2.57 0.33 1.68 1.02 -1.26 -0.10 119.74 126.50 2k4i s LYS 28 Ca 0.77 -0.71 -0.29 0.00 0.02 0.00 0.00 55.97 55.76 2k4i s LYS 28 Cb -0.43 -2.51 -0.11 0.00 -0.52 0.00 0.00 37.83 34.25 2k4i s LYS 28 CO 0.34 0.61 1.54 0.71 -0.92 0.00 0.00 175.35 177.63 2k4i s TYR 29 N -0.99 2.67 0.13 3.18 2.02 -0.41 -4.88 117.35 119.08 2k4i s TYR 29 Ca 0.17 0.96 -0.05 0.00 -0.37 0.00 0.00 57.07 57.77 2k4i s TYR 29 Cb -0.11 -4.05 -0.02 0.00 -0.40 0.00 0.00 41.96 37.38 2k4i s TYR 29 CO 0.07 -3.32 0.16 1.03 -1.57 0.00 0.00 175.55 171.93 2k4i s ARG 30 N -1.23 1.00 0.42 -0.62 0.52 -1.26 -4.03 118.95 113.74 2k4i s ARG 30 Ca 0.58 -1.25 0.27 0.00 -0.52 0.00 0.00 55.73 54.81 2k4i s ARG 30 Cb -0.47 0.31 1.34 0.00 0.52 0.00 0.00 34.95 36.65 2k4i s ARG 30 CO 0.55 -0.32 1.65 -0.07 0.02 0.00 0.00 175.30 177.13 2k4i h LEU 31 N 2.73 0.30 -0.53 2.53 3.38 -1.97 0.37 115.31 122.11 2k4i h LEU 31 Ca -0.33 0.13 0.10 0.00 0.09 0.00 0.00 57.88 57.87 2k4i h LEU 31 Cb 1.21 0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.98 2k4i h LEU 31 CO 0.54 -0.13 0.04 0.50 0.09 0.00 0.00 178.44 179.48 2k4i h LYS 32 N 0.15 0.15 -0.27 1.13 1.63 -1.99 -0.58 116.57 116.80 2k4i h LYS 32 Ca 0.77 -0.01 -0.09 0.00 -0.85 0.00 0.00 60.65 60.47 2k4i h LYS 32 Cb 2.30 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 33.88 2k4i h LYS 32 CO -0.41 0.10 -0.23 0.45 -3.45 0.00 0.00 179.45 175.91 2k4i h HIS 33 N 0.16 0.58 -0.50 1.91 3.86 -0.67 -1.98 115.15 118.50 2k4i h HIS 33 Ca 0.27 -0.12 -0.05 0.00 -1.16 0.00 0.00 60.37 59.32 2k4i h HIS 33 Cb 0.41 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.72 2k4i h HIS 33 CO -0.30 0.71 0.11 0.82 0.86 0.00 0.00 177.93 180.13 2k4i h ILE 34 N 0.46 1.22 -0.08 2.45 2.04 -0.96 -2.56 117.51 120.07 2k4i h ILE 34 Ca 0.07 -0.78 -0.18 0.00 1.00 0.00 0.00 64.86 64.97 2k4i h ILE 34 Cb 0.65 0.71 0.01 0.00 -0.74 0.00 0.00 36.82 37.45 2k4i h ILE 34 CO 0.05 0.29 -0.64 0.58 0.00 0.00 0.00 178.15 178.42 2k4i h VAL 35 N 0.74 1.35 -0.03 1.67 2.07 -1.09 -2.94 116.25 118.02 2k4i h VAL 35 Ca 0.16 -1.95 0.01 0.00 0.82 0.00 0.00 66.70 65.74 2k4i h VAL 35 Cb 0.28 2.24 -0.00 0.00 -1.52 0.00 0.00 31.29 32.29 2k4i h VAL 35 CO -0.00 0.59 0.04 -0.25 0.02 0.00 0.00 177.57 177.97 2k4i h TRP 36 N 0.20 0.00 0.12 1.57 7.01 -1.17 -2.07 115.95 121.61 2k4i h TRP 36 Ca -0.06 0.00 -0.16 0.00 2.11 0.00 0.00 58.89 60.78 2k4i h TRP 36 Cb 1.30 0.00 0.02 0.00 -2.10 0.00 0.00 29.16 28.38 2k4i h TRP 36 CO 0.11 0.00 -0.70 0.00 -2.79 0.00 0.00 178.44 175.06 2k4i h ALA 37 N 1.94 -0.08 -0.78 2.65 0.00 -1.40 -3.32 119.26 118.28 2k4i h ALA 37 Ca 0.02 -0.67 0.05 0.00 0.00 0.00 0.00 54.91 54.31 2k4i h ALA 37 Cb 0.10 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 2k4i h ALA 37 CO -0.00 0.32 0.51 0.00 0.00 0.00 0.00 179.25 180.09 2k4i h ALA 38 N 0.08 1.58 -0.77 0.00 0.00 -1.21 -1.43 119.26 117.51 2k4i h ALA 38 Ca -0.12 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 54.86 2k4i h ALA 38 Cb 1.55 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 2k4i h ALA 38 CO 0.13 0.32 0.50 -0.97 0.00 0.00 0.00 179.25 179.23 2k4i h ASN 39 N 0.90 0.61 -0.19 0.00 -1.24 -1.52 -1.80 115.58 112.34 2k4i h ASN 39 Ca 0.32 0.02 -0.13 0.00 0.71 0.00 0.00 56.30 57.22 2k4i h ASN 39 Cb 0.13 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 39.07 2k4i h ASN 39 CO -0.10 0.37 -0.37 0.50 -1.29 0.00 0.00 177.43 176.53 2k4i h LYS 40 N 0.68 0.60 -0.87 6.67 1.63 -1.37 -3.04 116.57 120.87 2k4i h LYS 40 Ca 0.35 -0.38 0.25 0.00 -0.85 0.00 0.00 60.65 60.02 2k4i h LYS 40 Cb 0.47 0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.11 2k4i h LYS 40 CO -0.13 1.00 0.65 -0.07 -3.45 0.00 0.00 179.45 177.44 2k4i h LEU 41 N 0.27 0.00 0.01 5.20 3.38 -1.08 -0.47 115.31 122.62 2k4i h LEU 41 Ca 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2k4i h LEU 41 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2k4i h LEU 41 CO 0.08 0.00 -0.00 0.44 0.09 0.00 0.00 178.44 179.05 2k4i h ASP 42 N 0.00 -0.01 -0.52 -0.43 5.19 -1.40 0.33 116.42 119.59 2k4i h ASP 42 Ca 0.41 -0.66 0.15 0.00 -0.62 0.00 0.00 57.03 56.31 2k4i h ASP 42 Cb 1.71 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 41.20 2k4i h ASP 42 CO -0.00 0.66 0.60 -0.09 -3.12 0.00 0.00 179.24 177.28 2k4i h ARG 43 N -0.68 0.00 0.01 3.56 9.65 -1.07 -1.62 114.38 124.22 2k4i h ARG 43 Ca -0.00 0.00 -0.42 0.00 -1.10 0.00 0.00 59.98 58.46 2k4i h ARG 43 Cb 0.66 0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 29.18 2k4i h ARG 43 CO 0.00 0.00 -2.43 1.19 2.80 0.00 0.00 179.97 181.53 2k4i n PHE 44 N -3.57 0.11 0.00 2.20 3.72 -1.07 -5.05 117.46 113.81 2k4i n PHE 44 Ca 0.10 0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 2k4i n PHE 44 Cb 0.80 -1.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.32 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 1.78 4.35 3.41 1.37 0.00 0.11 -5.12 105.19 111.09 2k4i n GLY 45 Ca -0.48 -0.78 -0.46 0.00 0.00 0.00 0.00 46.02 44.29 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 -1.14 -4.78 0.99 4.32 -0.81 -4.76 117.00 110.83 2k4i n LEU 46 Ca 0.00 1.06 -0.36 0.00 -0.02 0.00 0.00 56.01 56.70 2k4i n LEU 46 Cb 0.00 -0.99 -0.02 0.00 -1.62 0.00 0.00 43.42 40.80 2k4i n LEU 46 CO 0.00 -3.03 0.78 0.00 -1.22 0.00 0.00 177.39 173.91 2k4i s ALA 47 N -1.16 2.89 -0.26 -1.18 0.00 -1.26 -4.06 121.76 116.72 2k4i s ALA 47 Ca 0.62 0.79 0.18 0.00 0.00 0.00 0.00 51.96 53.56 2k4i s ALA 47 Cb -0.83 -3.33 0.14 0.00 0.00 0.00 0.00 23.12 19.10 2k4i s ALA 47 CO 0.58 -0.54 1.44 1.05 0.00 0.00 0.00 175.76 178.29 2k4i h GLU 48 N 1.77 0.00 0.00 0.00 4.11 -1.89 -3.18 114.58 115.38 2k4i h GLU 48 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 2k4i h GLU 48 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2k4i h GLU 48 CO 0.59 0.29 0.00 0.43 0.07 0.00 0.00 179.01 180.39 2k4i n SER 49 N -3.13 0.00 0.00 3.06 7.64 -1.26 -2.00 113.62 117.92 2k4i n SER 49 Ca 0.02 0.36 0.15 0.00 1.01 0.00 0.00 58.87 60.41 2k4i n SER 49 Cb 0.66 -0.43 0.85 0.00 -1.01 0.00 0.00 64.21 64.29 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 -1.43 0.00 -0.11 -3.43 4.77 -1.20 -3.04 117.00 112.55 2k4i n LEU 50 Ca 0.04 0.07 0.15 0.00 -0.03 0.00 0.00 56.01 56.25 2k4i n LEU 50 Cb 0.13 -0.07 0.84 0.00 -2.33 0.00 0.00 43.42 41.99 2k4i n LEU 50 CO 0.11 -0.00 1.05 0.18 -1.33 0.00 0.00 177.39 177.40 2k4i n LEU 51 N -1.07 0.35 -1.08 2.23 4.77 -0.85 -3.23 117.00 118.13 2k4i n LEU 51 Ca 0.20 -0.12 0.05 0.00 -0.03 0.00 0.00 56.01 56.11 2k4i n LEU 51 Cb 0.14 -0.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.48 2k4i n LEU 51 CO 0.18 0.06 0.75 -1.84 -1.33 0.00 0.00 177.39 175.21 2k4i n GLU 52 N -0.72 2.86 -3.69 3.23 0.28 -1.17 -4.95 120.64 116.47 2k4i n GLU 52 Ca 0.23 -2.94 -0.12 0.00 -0.16 0.00 0.00 57.16 54.17 2k4i n GLU 52 Cb 0.17 -1.89 -0.09 0.00 1.43 0.00 0.00 31.44 31.05 2k4i n GLU 52 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 2k4i s SER 53 N -1.93 -0.58 0.14 -1.84 1.04 -1.20 -5.02 113.70 104.31 2k4i s SER 53 Ca 0.44 1.05 -0.18 0.00 0.48 0.00 0.00 55.95 57.74 2k4i s SER 53 Cb 0.37 1.00 0.02 0.00 0.10 0.00 0.00 66.02 67.50 2k4i s SER 53 CO 0.08 -0.19 1.74 0.07 0.98 0.00 0.00 173.24 175.91 2k4i h LYS 54 N 6.06 0.16 -0.46 4.02 2.10 -1.87 -1.81 116.57 124.77 2k4i h LYS 54 Ca -0.30 -0.01 0.08 0.00 -2.00 0.00 0.00 60.65 58.42 2k4i h LYS 54 Cb 1.18 -0.04 -0.07 0.00 -0.90 0.00 0.00 32.23 32.41 2k4i h LYS 54 CO 0.21 0.11 0.03 1.49 -2.00 0.00 0.00 179.45 179.29 2k4i h GLU 55 N 0.17 0.14 -0.93 0.07 4.22 -1.97 0.15 114.58 116.43 2k4i h GLU 55 Ca 0.13 -0.01 0.01 0.00 0.08 0.00 0.00 59.36 59.57 2k4i h GLU 55 Cb 0.13 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.30 2k4i h GLU 55 CO -0.17 0.10 0.61 0.78 -2.18 0.00 0.00 179.01 178.15 2k4i h GLY 56 N 0.15 1.31 1.99 1.92 0.00 -1.63 -1.92 103.07 104.89 2k4i h GLY 56 Ca 0.23 -0.48 -0.09 0.00 0.00 0.00 0.00 47.33 46.99 2k4i h GLY 56 CO -0.35 0.47 -0.42 0.00 0.00 0.00 0.00 176.54 176.24 2k4i h GLN 58 N 0.01 0.93 0.00 0.00 4.15 -0.21 -1.96 115.11 118.03 2k4i h GLN 58 Ca -0.00 -0.20 0.00 0.00 0.77 0.00 0.00 58.65 59.22 2k4i h GLN 58 Cb 0.74 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.30 2k4i h GLN 58 CO 0.05 0.83 0.00 -0.22 -1.93 0.00 0.00 178.83 177.56 2k4i h LYS 59 N 0.85 0.00 0.18 1.69 3.64 -1.33 -2.96 116.57 118.64 2k4i h LYS 59 Ca 0.19 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.33 2k4i h LYS 59 Cb 0.28 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 32.13 2k4i h LYS 59 CO -0.01 0.00 -1.08 0.82 -2.27 0.00 0.00 179.45 176.92 2k4i h ILE 60 N 0.00 1.42 -0.88 2.00 2.04 -1.28 -3.22 117.51 117.58 2k4i h ILE 60 Ca 0.00 -2.59 0.04 0.00 1.00 0.00 0.00 64.86 63.31 2k4i h ILE 60 Cb 0.43 3.12 -0.05 0.00 -0.74 0.00 0.00 36.82 39.58 2k4i h ILE 60 CO 0.00 0.75 0.58 -0.07 0.00 0.00 0.00 178.15 179.41 2k4i h LEU 61 N -0.15 0.94 -1.49 1.44 3.38 -1.26 -0.49 115.31 117.68 2k4i h LEU 61 Ca -0.19 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 2k4i h LEU 61 Cb 1.85 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.37 2k4i h LEU 61 CO 0.20 0.64 -0.26 0.00 0.09 0.00 0.00 178.44 179.12 2k4i h THR 62 N 1.09 0.97 0.21 0.22 1.03 -1.63 0.19 112.91 114.99 2k4i h THR 62 Ca 0.35 -0.95 -0.32 0.00 -0.01 0.00 0.00 66.41 65.48 2k4i h THR 62 Cb 0.04 1.55 0.03 0.00 -1.07 0.00 0.00 68.15 68.69 2k4i h THR 62 CO -0.11 0.25 -1.46 0.58 -0.01 0.00 0.00 175.52 174.78 2k4i h VAL 63 N 0.00 1.29 0.00 0.00 2.07 -1.18 -3.30 116.25 115.13 2k4i h VAL 63 Ca -0.00 -2.78 -0.05 0.00 0.82 0.00 0.00 66.70 64.68 2k4i h VAL 63 Cb 0.53 2.98 -0.01 0.00 -1.52 0.00 0.00 31.29 33.27 2k4i h VAL 63 CO 0.03 0.84 -0.26 -0.07 0.02 0.00 0.00 177.57 178.13 2k4i h LEU 64 N 0.12 0.00 0.01 2.57 3.38 -0.94 -3.29 115.31 117.16 2k4i h LEU 64 Ca -0.24 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.75 2k4i h LEU 64 Cb 2.11 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.81 2k4i h LEU 64 CO 0.24 0.26 -0.44 0.44 0.09 0.00 0.00 178.44 179.03 2k4i h ASP 65 N 0.00 -1.35 0.68 -0.43 5.19 -0.70 -0.16 116.42 119.65 2k4i h ASP 65 Ca -0.00 0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 2k4i h ASP 65 Cb 1.17 0.51 0.00 0.00 0.18 0.00 0.00 39.33 41.19 2k4i h ASP 65 CO 0.03 -0.43 0.00 -0.81 -3.12 0.00 0.00 179.24 174.91 2k4i n PRO 66 N -4.91 0.17 0.16 3.56 -0.04 -1.26 -2.24 135.00 130.45 2k4i n PRO 66 Ca -0.06 0.41 0.08 0.00 -0.04 0.00 0.00 63.50 63.88 2k4i n PRO 66 Cb 0.32 -1.83 0.08 0.00 -0.04 0.00 0.00 33.50 32.04 2k4i n PRO 66 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 2k4i h MET 67 N 0.00 0.00 0.57 0.54 2.86 -1.23 -3.34 114.93 114.34 2k4i h MET 67 Ca 0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 2k4i h MET 67 Cb 0.34 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 2k4i h MET 67 CO 0.00 0.19 -0.42 0.28 1.06 0.00 0.00 176.91 178.01 2k4i h VAL 68 N 0.00 0.15 0.00 -2.22 2.07 -0.63 0.18 116.25 115.80 2k4i h VAL 68 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2k4i h VAL 68 Cb 1.17 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 2k4i h VAL 68 CO 0.02 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 176.80 2k4i n PRO 69 N -5.54 0.49 -2.48 1.57 -0.04 -1.26 -2.64 135.00 125.10 2k4i n PRO 69 Ca -0.12 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.34 2k4i n PRO 69 Cb 0.43 -1.45 0.04 0.00 -0.04 0.00 0.00 33.50 32.49 2k4i n PRO 69 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2k4i n THR 70 N -0.95 0.96 -4.02 0.52 -1.04 -0.66 -5.10 114.28 103.98 2k4i n THR 70 Ca 0.10 -2.44 -0.13 0.00 -2.04 0.00 0.00 64.05 59.55 2k4i n THR 70 Cb 0.05 1.20 -0.03 0.00 -1.82 0.00 0.00 70.33 69.73 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 -3.34 1.18 0.01 3.41 0.00 0.53 -4.90 107.32 104.21 2k4i s GLY 71 Ca 0.29 -1.31 0.00 0.00 0.00 0.00 0.00 44.72 43.70 2k4i s GLY 71 CO -0.07 -0.83 0.00 -1.14 0.00 0.00 0.00 173.10 171.06 2k4i n SER 72 N -1.32 1.67 -0.30 1.64 3.41 -1.26 -4.89 113.62 112.57 2k4i n SER 72 Ca -0.01 -1.03 0.06 0.00 -0.26 0.00 0.00 58.87 57.64 2k4i n SER 72 Cb 0.61 0.00 0.22 0.00 -0.26 0.00 0.00 64.21 64.78 2k4i n SER 72 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2k4i h GLU 73 N 0.00 0.69 -0.15 4.33 5.08 -1.98 0.35 114.58 122.90 2k4i h GLU 73 Ca -0.01 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 2k4i h GLU 73 Cb 0.02 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 2k4i h GLU 73 CO 0.01 0.46 0.21 -0.91 -1.00 0.00 0.00 179.01 177.78 2k4i h ASN 74 N 0.72 0.00 0.00 1.42 2.35 -2.00 -0.27 115.58 117.79 2k4i h ASN 74 Ca 0.46 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.90 2k4i h ASN 74 Cb 0.58 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.90 2k4i h ASN 74 CO -0.32 0.00 -1.90 -0.11 -1.65 0.00 0.00 177.43 173.45 2k4i n LEU 75 N -3.59 1.93 -0.30 1.61 0.00 0.84 -4.40 117.00 113.08 2k4i n LEU 75 Ca 0.01 0.37 0.21 0.00 0.00 0.00 0.00 56.01 56.60 2k4i n LEU 75 Cb 0.32 -0.84 0.49 0.00 0.00 0.00 0.00 43.42 43.40 2k4i n LEU 75 CO 0.25 0.30 1.22 0.50 0.00 0.00 0.00 177.39 179.66 2k4i h LYS 76 N -1.00 0.42 -0.95 1.96 3.64 -0.30 0.17 116.57 120.50 2k4i h LYS 76 Ca -0.47 -0.03 0.12 0.00 -1.27 0.00 0.00 60.65 59.01 2k4i h LYS 76 Cb 1.38 -0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 33.02 2k4i h LYS 76 CO -0.28 0.28 0.61 0.77 -2.27 0.00 0.00 179.45 178.55 2k4i h SER 77 N 0.43 0.83 -0.28 4.20 0.02 -1.25 -0.89 113.55 116.61 2k4i h SER 77 Ca 0.54 0.04 -0.15 0.00 -0.84 0.00 0.00 61.79 61.38 2k4i h SER 77 Cb 1.33 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 2k4i h SER 77 CO -0.25 0.45 -0.40 0.25 -1.14 0.00 0.00 176.83 175.74 2k4i h LEU 78 N 0.90 0.89 -1.42 5.07 5.85 -0.88 -1.96 115.31 123.77 2k4i h LEU 78 Ca 0.47 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2k4i h LEU 78 Cb 0.53 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 2k4i h LEU 78 CO -0.23 1.18 0.37 0.15 -0.34 0.00 0.00 178.44 179.56 2k4i h PHE 79 N 0.68 0.73 0.05 1.25 3.57 -1.00 0.17 116.94 122.38 2k4i h PHE 79 Ca 0.05 0.01 -0.23 0.00 3.53 0.00 0.00 57.97 61.34 2k4i h PHE 79 Cb 0.97 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 2k4i h PHE 79 CO 0.06 0.47 -1.04 -0.91 -2.23 0.00 0.00 178.31 174.66 2k4i h ASN 80 N 0.78 0.25 -0.06 0.41 4.21 -1.25 -3.24 115.58 116.68 2k4i h ASN 80 Ca 0.21 -0.24 -0.02 0.00 1.21 0.00 0.00 56.30 57.46 2k4i h ASN 80 Cb -0.07 -0.08 -0.00 0.00 -1.12 0.00 0.00 38.32 37.05 2k4i h ASN 80 CO -0.04 1.13 -0.05 0.74 -1.29 0.00 0.00 177.43 177.92 2k4i h THR 81 N 0.07 1.36 -0.16 2.81 2.02 -0.65 -2.96 112.91 115.39 2k4i h THR 81 Ca -0.07 -1.17 0.05 0.00 0.77 0.00 0.00 66.41 65.99 2k4i h THR 81 Cb 1.74 2.02 -0.01 0.00 -1.74 0.00 0.00 68.15 70.16 2k4i h THR 81 CO 0.16 0.32 0.22 0.58 0.37 0.00 0.00 175.52 177.17 2k4i h VAL 82 N -0.30 0.35 -0.11 3.16 2.07 -1.09 0.68 116.25 121.01 2k4i h VAL 82 Ca 0.01 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.38 2k4i h VAL 82 Cb 0.54 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2k4i h VAL 82 CO 0.01 0.00 -0.60 0.00 0.02 0.00 0.00 177.57 177.01 2k4i h VAL 84 N 0.28 1.47 0.31 0.00 2.07 -0.88 -3.09 116.25 116.41 2k4i h VAL 84 Ca -0.00 -2.27 -0.02 0.00 0.82 0.00 0.00 66.70 65.23 2k4i h VAL 84 Cb 1.12 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 33.77 2k4i h VAL 84 CO 0.10 0.65 -0.15 0.40 0.02 0.00 0.00 177.57 178.59 2k4i h ILE 85 N -0.25 0.70 -1.00 4.57 1.08 -1.43 -2.55 117.51 118.63 2k4i h ILE 85 Ca -0.10 -0.03 0.15 0.00 -0.39 0.00 0.00 64.86 64.49 2k4i h ILE 85 Cb 1.44 0.71 -0.10 0.00 -3.07 0.00 0.00 36.82 35.80 2k4i h ILE 85 CO 0.13 0.01 0.62 -0.25 -0.69 0.00 0.00 178.15 177.96 2k4i h TRP 86 N -0.44 1.10 0.49 1.37 7.01 -1.53 -2.21 115.95 121.75 2k4i h TRP 86 Ca -0.04 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.98 2k4i h TRP 86 Cb 0.33 -0.34 -0.01 0.00 -2.10 0.00 0.00 29.16 27.04 2k4i h TRP 86 CO -0.05 0.35 -0.36 0.00 -2.79 0.00 0.00 178.44 175.59 2k4i h ILE 88 N -0.82 0.50 0.01 0.00 2.04 -1.01 0.39 117.51 118.61 2k4i h ILE 88 Ca -0.05 -0.14 -0.19 0.00 1.00 0.00 0.00 64.86 65.48 2k4i h ILE 88 Cb 0.70 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 2k4i h ILE 88 CO 0.01 0.07 -0.91 0.45 0.00 0.00 0.00 178.15 177.77 2k4i h HIS 89 N 0.39 0.07 -0.21 1.37 3.86 -1.08 -3.13 115.15 116.43 2k4i h HIS 89 Ca 0.62 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.78 2k4i h HIS 89 Cb 1.54 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 30.01 2k4i h HIS 89 CO -0.00 0.93 0.00 0.00 0.86 0.00 0.00 177.93 179.72 2k4i n ALA 90 N -2.39 2.48 -2.99 2.45 0.00 0.13 -4.80 120.51 115.38 2k4i n ALA 90 Ca -0.01 -0.42 -0.13 0.00 0.00 0.00 0.00 53.44 52.89 2k4i n ALA 90 Cb 0.85 -1.02 0.06 0.00 0.00 0.00 0.00 19.45 19.35 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 0.15 -3.46 -4.60 0.00 4.07 -0.55 -5.03 120.64 111.22 2k4i n GLU 91 Ca 0.10 0.67 -0.30 0.00 -0.06 0.00 0.00 57.16 57.57 2k4i n GLU 91 Cb 0.21 -5.01 -0.17 0.00 -0.06 0.00 0.00 31.44 26.41 2k4i n GLU 91 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 2k4i s GLU 92 N -4.57 2.53 -0.19 5.31 0.41 -0.84 -5.03 118.70 116.32 2k4i s GLU 92 Ca 0.18 -0.68 -0.26 0.00 -0.41 0.00 0.00 54.97 53.81 2k4i s GLU 92 Cb -0.02 -2.08 -0.01 0.00 -1.78 0.00 0.00 34.13 30.24 2k4i s GLU 92 CO 0.57 -0.02 0.86 0.15 -0.49 0.00 0.00 175.26 176.34 2k4i s LYS 93 N 0.86 4.27 -0.01 1.61 3.01 -1.26 -4.29 119.74 123.93 2k4i s LYS 93 Ca -0.08 1.05 0.02 0.00 -1.01 0.00 0.00 55.97 55.95 2k4i s LYS 93 Cb -0.15 -3.60 -0.01 0.00 -1.01 0.00 0.00 37.83 33.06 2k4i s LYS 93 CO -0.01 -0.42 -0.08 0.14 0.51 0.00 0.00 175.35 175.50 2k4i s VAL 94 N 2.47 0.60 -0.12 3.17 -7.23 -1.26 -4.92 120.40 113.11 2k4i s VAL 94 Ca 0.38 -0.32 0.17 0.00 -1.81 0.00 0.00 61.98 60.40 2k4i s VAL 94 Cb -0.16 -0.51 -0.22 0.00 0.56 0.00 0.00 36.38 36.05 2k4i s VAL 94 CO 0.10 0.17 0.48 2.29 -0.31 0.00 0.00 175.10 177.84 2k4i n LYS 95 N 2.93 0.65 -3.29 4.82 2.85 -1.26 -4.65 118.16 120.20 2k4i n LYS 95 Ca -0.14 0.12 -0.11 0.00 -1.05 0.00 0.00 58.31 57.13 2k4i n LYS 95 Cb 0.57 -1.67 -0.04 0.00 -0.65 0.00 0.00 35.03 33.24 2k4i n LYS 95 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2k4i n ASP 96 N -2.81 -0.58 0.07 -5.58 5.68 -1.26 -1.49 116.55 110.58 2k4i n ASP 96 Ca -0.19 -2.31 -0.21 0.00 -0.50 0.00 0.00 54.79 51.57 2k4i n ASP 96 Cb 0.98 1.22 -0.12 0.00 -1.14 0.00 0.00 41.12 42.05 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 1.66 1.31 -0.65 2.12 2.02 -1.25 -3.17 112.91 114.95 2k4i h THR 97 Ca -0.15 -2.39 0.19 0.00 0.77 0.00 0.00 66.41 64.83 2k4i h THR 97 Cb 0.75 2.66 -0.03 0.00 -1.74 0.00 0.00 68.15 69.79 2k4i h THR 97 CO 0.22 0.72 0.47 -0.33 0.37 0.00 0.00 175.52 176.98 2k4i h GLU 98 N 0.23 0.00 0.11 6.66 4.39 -1.85 -1.17 114.58 122.94 2k4i h GLU 98 Ca -0.17 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.33 2k4i h GLU 98 Cb 1.81 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 30.48 2k4i h GLU 98 CO 0.22 0.00 -0.85 0.78 -1.16 0.00 0.00 179.01 178.00 2k4i h GLY 99 N 0.00 0.43 1.62 -3.84 0.00 -1.88 -2.98 103.07 96.43 2k4i h GLY 99 Ca 0.31 -0.97 0.01 0.00 0.00 0.00 0.00 47.33 46.67 2k4i h GLY 99 CO -0.00 0.85 0.24 0.00 0.00 0.00 0.00 176.54 177.64 2k4i h ALA 100 N 0.18 1.76 -0.03 3.60 0.00 -1.22 -0.59 119.26 122.95 2k4i h ALA 100 Ca -0.14 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.57 2k4i h ALA 100 Cb 1.62 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 2k4i h ALA 100 CO 0.16 0.22 -0.77 -0.22 0.00 0.00 0.00 179.25 178.64 2k4i h LYS 101 N 0.48 0.23 -0.18 0.00 3.64 -1.42 -2.85 116.57 116.47 2k4i h LYS 101 Ca 0.14 -0.21 -0.17 0.00 -1.27 0.00 0.00 60.65 59.14 2k4i h LYS 101 Cb -0.03 0.05 0.01 0.00 -0.41 0.00 0.00 32.23 31.85 2k4i h LYS 101 CO -0.03 0.89 -0.56 0.37 -2.27 0.00 0.00 179.45 177.85 2k4i h GLN 102 N 0.15 0.70 0.27 1.90 4.15 -1.14 -2.73 115.11 118.41 2k4i h GLN 102 Ca -0.03 -0.51 -0.01 0.00 0.77 0.00 0.00 58.65 58.87 2k4i h GLN 102 Cb 1.35 0.09 0.00 0.00 0.21 0.00 0.00 27.48 29.13 2k4i h GLN 102 CO 0.12 1.13 -0.13 0.82 -1.93 0.00 0.00 178.83 178.84 2k4i h ILE 103 N 0.40 0.75 -0.88 2.39 2.04 -1.18 0.23 117.51 121.25 2k4i h ILE 103 Ca -0.02 -0.10 0.09 0.00 1.00 0.00 0.00 64.86 65.83 2k4i h ILE 103 Cb 1.19 0.81 -0.07 0.00 -0.74 0.00 0.00 36.82 38.00 2k4i h ILE 103 CO 0.12 0.02 0.53 0.58 0.00 0.00 0.00 178.15 179.40 2k4i h VAL 104 N -0.42 0.96 0.26 1.67 2.07 -1.58 0.07 116.25 119.28 2k4i h VAL 104 Ca -0.04 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 2k4i h VAL 104 Cb 0.32 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 2k4i h VAL 104 CO 0.06 0.17 -0.12 -0.09 0.02 0.00 0.00 177.57 177.60 2k4i h ARG 105 N 0.91 -0.33 -0.28 1.57 9.65 -1.26 -3.00 114.38 121.64 2k4i h ARG 105 Ca 0.41 0.02 0.08 0.00 -1.10 0.00 0.00 59.98 59.40 2k4i h ARG 105 Cb 0.32 0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.97 2k4i h ARG 105 CO -0.23 0.02 0.29 0.00 2.80 0.00 0.00 179.97 182.85 2k4i h ARG 106 N -0.78 0.00 0.00 0.20 3.08 -0.28 0.26 114.38 116.86 2k4i h ARG 106 Ca -0.04 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 2k4i h ARG 106 Cb 0.51 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 2k4i h ARG 106 CO 0.06 0.00 -0.30 0.45 -1.07 0.00 0.00 179.97 179.10 2k4i h HIS 107 N 0.00 0.00 0.01 3.04 3.86 -0.86 -3.11 115.15 118.10 2k4i h HIS 107 Ca 0.13 0.00 -0.41 0.00 -1.16 0.00 0.00 60.37 58.93 2k4i h HIS 107 Cb 0.71 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.12 2k4i h HIS 107 CO 0.00 0.30 -2.38 1.28 0.86 0.00 0.00 177.93 178.00 2k4i n LEU 108 N -3.29 2.43 -0.29 2.43 4.77 0.70 -4.40 117.00 119.34 2k4i n LEU 108 Ca 0.01 0.14 0.15 0.00 -0.03 0.00 0.00 56.01 56.28 2k4i n LEU 108 Cb 0.56 -0.89 0.40 0.00 -2.33 0.00 0.00 43.42 41.16 2k4i n LEU 108 CO 0.36 0.73 1.22 0.58 -1.33 0.00 0.00 177.39 178.94 2k4i h VAL 109 N -0.50 0.74 -0.10 4.08 2.07 -1.04 0.50 116.25 122.00 2k4i h VAL 109 Ca -0.60 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 66.73 2k4i h VAL 109 Cb 1.74 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2k4i h VAL 109 CO -0.23 0.11 0.16 0.00 0.02 0.00 0.00 177.57 177.63 2k4i h ALA 110 N 1.61 1.56 -2.10 1.67 0.00 -1.75 -3.37 119.26 116.90 2k4i h ALA 110 Ca 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.41 2k4i h ALA 110 Cb 0.94 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2k4i h ALA 110 CO -0.25 -0.21 0.00 0.39 0.00 0.00 0.00 179.25 179.18 2k4i n GLU 111 N -3.56 0.00 -0.36 0.00 4.71 0.11 -4.98 120.64 116.56 2k4i n GLU 111 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 2k4i n GLU 111 Cb 0.26 -0.01 0.00 0.00 -1.01 0.00 0.00 31.44 30.68 2k4i n GLU 111 CO 0.00 0.00 0.00 -2.37 0.09 0.00 0.00 177.13 174.85 2k4i n THR 112 N -1.47 0.00 -1.30 2.62 5.66 0.13 -4.69 114.28 115.22 2k4i n THR 112 Ca 0.00 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 61.04 2k4i n THR 112 Cb 0.00 -0.08 0.06 0.00 -1.55 0.00 0.00 70.33 68.76 2k4i n THR 112 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2k4i n GLY 113 N -2.00 2.24 0.39 1.09 0.00 -1.26 -4.73 105.19 100.92 2k4i n GLY 113 Ca 0.00 -0.47 0.07 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.65 1.68 -2.66 2.61 5.66 -1.26 -4.82 114.28 114.85 2k4i n THR 114 Ca 0.07 -2.29 -0.03 0.00 -3.05 0.00 0.00 64.05 58.75 2k4i n THR 114 Cb 0.61 -0.08 0.11 0.00 -1.55 0.00 0.00 70.33 69.41 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 -3.40 -0.72 1.79 0.00 -1.26 -5.01 120.51 110.85 2k4i n ALA 115 Ca 0.15 -0.30 -0.13 0.00 0.00 0.00 0.00 53.44 53.16 2k4i n ALA 115 Cb 0.70 -3.29 0.19 0.00 0.00 0.00 0.00 19.45 17.05 2k4i n ALA 115 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2k4i n GLU 116 N 0.72 2.57 0.26 0.00 1.02 -1.26 -4.43 120.64 119.53 2k4i n GLU 116 Ca -0.05 -2.45 0.11 0.00 -0.02 0.00 0.00 57.16 54.75 2k4i n GLU 116 Cb 0.75 -1.99 0.72 0.00 -0.02 0.00 0.00 31.44 30.90 2k4i n GLU 116 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2k4i h LYS 117 N 1.44 0.00 -3.87 3.49 1.57 -2.00 -3.44 116.57 113.75 2k4i h LYS 117 Ca 0.38 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.06 2k4i h LYS 117 Cb 2.30 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 34.46 2k4i h LYS 117 CO 0.76 0.10 -0.46 -1.64 -0.57 0.00 0.00 179.45 177.65 2k4i s MET 118 N -4.45 0.75 0.42 3.15 -1.94 -1.26 -5.15 119.30 110.82 2k4i s MET 118 Ca -0.04 -0.96 -0.24 0.00 -1.71 0.00 0.00 55.69 52.74 2k4i s MET 118 Cb 0.14 0.30 -0.08 0.00 2.01 0.00 0.00 34.83 37.20 2k4i s MET 118 CO 0.60 -0.21 1.18 -1.25 -0.01 0.00 0.00 175.02 175.33 2k4i s PRO 119 N -3.60 3.93 0.09 2.03 0.04 -1.26 -5.05 135.00 131.18 2k4i s PRO 119 Ca 0.03 1.84 -0.08 0.00 0.04 0.00 0.00 61.00 62.83 2k4i s PRO 119 Cb 0.04 -2.58 -0.00 0.00 0.04 0.00 0.00 34.50 32.00 2k4i s PRO 119 CO -0.09 -0.42 0.19 -1.12 0.04 0.00 0.00 177.00 175.59 2k4i s SER 120 N -1.19 0.13 -0.30 6.66 0.01 -1.26 -4.96 113.70 112.80 2k4i s SER 120 Ca 0.59 -0.69 -0.18 0.00 1.31 0.00 0.00 55.95 56.98 2k4i s SER 120 Cb -0.30 0.34 0.18 0.00 0.21 0.00 0.00 66.02 66.45 2k4i s SER 120 CO 0.38 -0.74 1.23 0.42 0.41 0.00 0.00 173.24 174.94 2k4i s THR 121 N -3.88 -0.12 -0.11 1.44 -4.23 -1.26 -5.16 115.64 102.32 2k4i s THR 121 Ca 0.06 0.00 -0.31 0.00 -1.18 0.00 0.00 61.69 60.27 2k4i s THR 121 Cb 0.05 -1.00 0.12 0.00 1.34 0.00 0.00 72.50 73.01 2k4i s THR 121 CO -0.10 0.00 1.02 -0.55 -0.54 0.00 0.00 174.62 174.45 2k4i s SER 122 N 2.42 -0.30 -0.44 3.99 0.15 -1.26 -5.01 113.70 113.25 2k4i s SER 122 Ca -0.03 0.14 0.08 0.00 0.70 0.00 0.00 55.95 56.84 2k4i s SER 122 Cb -0.04 0.29 0.28 0.00 -1.71 0.00 0.00 66.02 64.83 2k4i s SER 122 CO -0.13 -0.41 0.80 0.54 1.20 0.00 0.00 173.24 175.24 2k4i n ARG 123 N 0.16 0.84 -0.41 5.44 1.74 -1.26 -5.13 116.66 118.03 2k4i n ARG 123 Ca -0.07 -2.46 -0.12 0.00 -0.77 0.00 0.00 57.85 54.43 2k4i n ARG 123 Cb 0.60 -1.35 0.10 0.00 -1.02 0.00 0.00 32.46 30.79 2k4i n ARG 123 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2k4i n PRO 124 N 1.11 -1.88 -3.51 5.56 -0.04 -1.26 -5.10 135.00 129.88 2k4i n PRO 124 Ca 0.14 -0.70 -0.11 0.00 -0.04 0.00 0.00 63.50 62.80 2k4i n PRO 124 Cb 0.62 -0.65 -0.03 0.00 -0.04 0.00 0.00 33.50 33.40 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 -1.79 0.03 -0.17 0.52 -1.32 -1.26 -5.11 115.64 106.54 2k4i s THR 125 Ca 0.28 -0.24 -0.29 0.00 -1.21 0.00 0.00 61.69 60.23 2k4i s THR 125 Cb -0.03 -1.08 0.12 0.00 -1.51 0.00 0.00 72.50 70.00 2k4i s THR 125 CO 0.22 -0.12 0.96 0.00 -2.21 0.00 0.00 174.62 173.47 2k4i s ALA 126 N -3.77 -1.92 0.18 11.08 0.00 -1.26 -4.90 121.76 121.16 2k4i s ALA 126 Ca 0.02 1.62 -0.06 0.00 0.00 0.00 0.00 51.96 53.54 2k4i s ALA 126 Cb 0.00 -0.78 0.08 0.00 0.00 0.00 0.00 23.12 22.42 2k4i s ALA 126 CO -0.12 -0.30 1.53 -1.00 0.00 0.00 0.00 175.76 175.86 2k4i h PRO 127 N 2.97 0.76 0.00 0.00 0.13 -2.03 -3.48 132.00 130.35 2k4i h PRO 127 Ca -0.21 -0.40 0.14 0.00 -0.87 0.00 0.00 66.00 64.65 2k4i h PRO 127 Cb 1.16 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 2k4i h PRO 127 CO 0.28 1.02 0.49 0.45 -0.23 0.00 0.00 178.00 180.01 2k4i n SER 128 N -4.04 -1.38 0.00 1.44 2.88 -1.26 -5.09 113.62 106.17 2k4i n SER 128 Ca -0.02 -1.71 0.00 0.00 -1.33 0.00 0.00 58.87 55.81 2k4i n SER 128 Cb 0.54 2.23 0.00 0.00 -0.75 0.00 0.00 64.21 66.23 2k4i n SER 128 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2k4i n SER 129 N -1.14 0.00 -2.51 -3.46 7.64 -1.26 -4.83 113.62 108.06 2k4i n SER 129 Ca -0.01 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.82 2k4i n SER 129 Cb 0.47 0.12 -0.04 0.00 -1.01 0.00 0.00 64.21 63.75 2k4i n SER 129 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k4i n GLU 130 N -2.27 -4.11 -0.29 1.43 1.02 -1.26 -4.85 120.64 110.31 2k4i n GLU 130 Ca 0.00 3.15 0.06 0.00 -0.02 0.00 0.00 57.16 60.36 2k4i n GLU 130 Cb 0.00 -4.77 0.28 0.00 -0.02 0.00 0.00 31.44 26.94 2k4i n GLU 130 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2k4i h LYS 131 N 3.62 0.89 0.00 3.49 3.64 -2.01 -3.48 116.57 122.72 2k4i h LYS 131 Ca -0.47 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 2k4i h LYS 131 Cb 1.05 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 2k4i h LYS 131 CO 0.02 0.59 0.00 0.41 -2.27 0.00 0.00 179.45 178.20 2k4i n GLY 132 N -1.40 1.05 6.72 5.01 0.00 -1.26 -4.71 105.19 110.59 2k4i n GLY 132 Ca 0.15 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 1.45 0.20 -0.02 0.00 -1.26 -4.76 105.19 100.80 2k4i n GLY 133 Ca 0.00 0.19 -0.02 0.00 0.00 0.00 0.00 46.02 46.19 2k4i n GLY 133 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2k4i n ASN 134 N 6.87 1.88 0.00 1.61 3.02 -1.26 -5.33 115.26 122.05 2k4i n ASN 134 Ca 0.00 -1.12 0.00 0.00 -0.03 0.00 0.00 54.58 53.43 2k4i n ASN 134 Cb 0.00 0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 2k4i n ASN 134 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64