#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4i n ALA 3 N 0.00 0.52 -2.92 4.61 0.00 -1.26 -4.87 120.51 116.60 2k4i n ALA 3 Ca 0.00 -0.47 -0.13 0.00 0.00 0.00 0.00 53.44 52.84 2k4i n ALA 3 Cb 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 19.45 19.44 2k4i n ALA 3 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2k4i n ARG 4 N -4.58 0.87 -1.06 0.00 1.85 -1.26 -4.93 116.66 107.55 2k4i n ARG 4 Ca -0.10 -2.40 -0.04 0.00 -1.00 0.00 0.00 57.85 54.31 2k4i n ARG 4 Cb 0.33 -1.33 -0.04 0.00 -1.05 0.00 0.00 32.46 30.37 2k4i n ARG 4 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 2k4i n ASN 5 N 0.98 -0.41 -1.31 2.89 6.94 -1.26 -5.15 115.26 117.94 2k4i n ASN 5 Ca 0.14 -1.92 0.17 0.00 -0.02 0.00 0.00 54.58 52.95 2k4i n ASN 5 Cb 0.64 0.12 -0.06 0.00 -2.36 0.00 0.00 39.78 38.11 2k4i n ASN 5 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 2k4i n SER 6 N 0.12 -7.82 -0.03 0.53 7.64 -1.26 -4.88 113.62 107.92 2k4i n SER 6 Ca -0.17 0.83 -0.03 0.00 1.01 0.00 0.00 58.87 60.51 2k4i n SER 6 Cb 0.79 -4.15 -0.02 0.00 -1.01 0.00 0.00 64.21 59.81 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 -4.09 0.29 -3.04 0.44 0.31 -1.26 -4.84 118.33 106.14 2k4i n VAL 7 Ca -0.02 -0.11 -0.20 0.00 -0.01 0.00 0.00 64.34 64.00 2k4i n VAL 7 Cb 0.60 -0.69 0.06 0.00 -0.91 0.00 0.00 33.84 32.91 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 -5.25 3.07 1.22 7.52 1.43 -1.26 -5.10 118.68 120.31 2k4i s LEU 8 Ca -0.07 -0.87 -0.17 0.00 -1.03 0.00 0.00 54.13 51.99 2k4i s LEU 8 Cb 0.02 -1.57 0.25 0.00 0.03 0.00 0.00 46.19 44.92 2k4i s LEU 8 CO 0.12 -1.38 0.60 0.54 0.23 0.00 0.00 176.35 176.46 2k4i n ARG 9 N -2.27 -2.85 -0.05 1.70 1.74 -1.26 -4.70 116.66 108.97 2k4i n ARG 9 Ca 0.16 -0.83 -0.15 0.00 -0.77 0.00 0.00 57.85 56.27 2k4i n ARG 9 Cb 0.62 -1.88 -0.13 0.00 -1.02 0.00 0.00 32.46 30.05 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 -2.78 0.05 0.20 -0.13 0.00 -1.98 -0.87 103.07 97.56 2k4i h GLY 10 Ca -0.50 -0.10 0.21 0.00 0.00 0.00 0.00 47.33 46.93 2k4i h GLY 10 CO 0.36 0.09 0.61 0.50 0.00 0.00 0.00 176.54 178.11 2k4i h LYS 11 N -0.87 0.49 0.12 4.80 1.57 -2.01 0.01 116.57 120.68 2k4i h LYS 11 Ca -0.02 -0.03 -0.24 0.00 -1.87 0.00 0.00 60.65 58.49 2k4i h LYS 11 Cb 1.02 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.22 2k4i h LYS 11 CO 0.02 0.32 -1.22 0.87 -0.57 0.00 0.00 179.45 178.87 2k4i h LYS 12 N 0.50 0.24 -0.72 3.15 1.57 -1.94 -3.33 116.57 116.04 2k4i h LYS 12 Ca 0.51 -0.42 0.18 0.00 -1.87 0.00 0.00 60.65 59.06 2k4i h LYS 12 Cb 1.14 0.16 -0.04 0.00 0.08 0.00 0.00 32.23 33.57 2k4i h LYS 12 CO -0.24 1.20 0.50 0.00 -0.57 0.00 0.00 179.45 180.34 2k4i h ALA 13 N -0.03 2.40 0.94 3.86 0.00 -0.27 -1.36 119.26 124.80 2k4i h ALA 13 Ca -0.26 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 2k4i h ALA 13 Cb 1.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.50 2k4i h ALA 13 CO 0.07 -0.61 -0.49 0.22 0.00 0.00 0.00 179.25 178.44 2k4i h ASP 14 N 0.19 -1.20 -0.78 0.00 3.58 -1.14 -1.48 116.42 115.59 2k4i h ASP 14 Ca 0.35 0.05 0.01 0.00 0.42 0.00 0.00 57.03 57.87 2k4i h ASP 14 Cb 1.11 0.33 -0.04 0.00 1.72 0.00 0.00 39.33 42.45 2k4i h ASP 14 CO -0.07 -0.81 0.51 -0.33 -2.88 0.00 0.00 179.24 175.67 2k4i h GLU 15 N -1.31 1.01 -0.26 0.28 3.07 -1.56 -0.05 114.58 115.75 2k4i h GLU 15 Ca -0.13 -0.06 0.08 0.00 -0.50 0.00 0.00 59.36 58.75 2k4i h GLU 15 Cb 1.02 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 28.69 2k4i h GLU 15 CO 0.18 0.67 0.20 1.25 -1.40 0.00 0.00 179.01 179.92 2k4i h LEU 16 N 1.04 0.00 -0.44 1.33 7.12 -1.16 0.24 115.31 123.45 2k4i h LEU 16 Ca 0.29 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.30 2k4i h LEU 16 Cb -0.10 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.03 2k4i h LEU 16 CO -0.07 0.00 -0.62 -0.62 -0.13 0.00 0.00 178.44 177.00 2k4i n GLU 17 N -4.31 0.57 -0.02 1.25 1.02 -0.56 -4.13 120.64 114.46 2k4i n GLU 17 Ca 0.03 -0.44 -0.01 0.00 -0.02 0.00 0.00 57.16 56.73 2k4i n GLU 17 Cb 0.36 -1.49 -0.13 0.00 -0.02 0.00 0.00 31.44 30.16 2k4i n GLU 17 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2k4i n ARG 18 N -0.83 0.65 -1.95 3.49 0.63 0.55 -4.56 116.66 114.64 2k4i n ARG 18 Ca 0.07 0.03 -0.40 0.00 -0.92 0.00 0.00 57.85 56.64 2k4i n ARG 18 Cb 0.38 -1.64 -0.00 0.00 0.45 0.00 0.00 32.46 31.66 2k4i n ARG 18 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2k4i s ILE 19 N -2.93 2.39 0.00 5.15 1.01 0.40 -4.97 121.20 122.25 2k4i s ILE 19 Ca -0.07 0.36 -0.11 0.00 0.00 0.00 0.00 60.65 60.84 2k4i s ILE 19 Cb 0.09 -3.22 -0.05 0.00 0.01 0.00 0.00 42.46 39.29 2k4i s ILE 19 CO 0.84 0.07 0.34 -0.13 0.00 0.00 0.00 174.94 176.06 2k4i s ARG 20 N -2.18 3.75 0.64 2.79 0.52 -0.86 -3.20 118.95 120.40 2k4i s ARG 20 Ca 0.55 0.19 0.36 0.00 -0.52 0.00 0.00 55.73 56.32 2k4i s ARG 20 Cb -0.41 -3.14 2.04 0.00 0.52 0.00 0.00 34.95 33.96 2k4i s ARG 20 CO 0.54 0.67 2.23 -0.07 0.02 0.00 0.00 175.30 178.69 2k4i h LEU 21 N 4.40 0.00 -8.62 2.53 3.38 -0.82 -2.28 115.31 113.90 2k4i h LEU 21 Ca -0.51 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.21 2k4i h LEU 21 Cb 1.21 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.81 2k4i h LEU 21 CO 0.63 0.00 -0.63 -0.13 0.09 0.00 0.00 178.44 178.40 2k4i s ARG 22 N -4.34 1.18 0.31 1.13 0.52 -1.26 -4.28 118.95 112.21 2k4i s ARG 22 Ca -0.05 -1.61 0.10 0.00 -0.52 0.00 0.00 55.73 53.65 2k4i s ARG 22 Cb 0.13 0.14 0.51 0.00 0.52 0.00 0.00 34.95 36.24 2k4i s ARG 22 CO 0.45 -0.33 1.71 -1.00 0.02 0.00 0.00 175.30 176.14 2k4i h PRO 23 N 2.63 0.07 -0.38 3.54 0.13 -1.95 -2.88 132.00 133.16 2k4i h PRO 23 Ca -0.36 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2k4i h PRO 23 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2k4i h PRO 23 CO 0.56 0.54 0.00 0.41 -0.23 0.00 0.00 178.00 179.28 2k4i n GLY 24 N -0.12 1.34 0.19 1.56 0.00 -1.26 -5.01 105.19 101.90 2k4i n GLY 24 Ca -0.02 -0.63 0.01 0.00 0.00 0.00 0.00 46.02 45.39 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 1.39 -2.87 0.00 -0.02 0.00 -1.09 -5.06 105.19 97.55 2k4i n GLY 25 Ca 0.18 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.90 2k4i n GLY 25 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k4i n LYS 26 N -1.89 0.00 -3.58 1.61 4.81 -1.26 -4.81 118.16 113.04 2k4i n LYS 26 Ca -0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.36 2k4i n LYS 26 Cb 0.07 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.09 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 0.00 0.48 -0.07 1.64 1.02 -1.26 -5.01 119.74 116.54 2k4i s LYS 27 Ca 0.00 -0.02 -0.02 0.00 0.02 0.00 0.00 55.97 55.95 2k4i s LYS 27 Cb 0.00 0.22 -0.03 0.00 -0.52 0.00 0.00 37.83 37.50 2k4i s LYS 27 CO 0.00 -0.18 0.02 0.15 -0.92 0.00 0.00 175.35 174.42 2k4i s LYS 28 N -1.78 2.99 0.25 1.68 1.02 -1.26 -0.05 119.74 122.59 2k4i s LYS 28 Ca 0.04 -0.42 -0.31 0.00 0.02 0.00 0.00 55.97 55.30 2k4i s LYS 28 Cb -0.01 -2.81 -0.12 0.00 -0.52 0.00 0.00 37.83 34.37 2k4i s LYS 28 CO -0.03 0.69 1.62 0.66 -0.92 0.00 0.00 175.35 177.37 2k4i n TYR 29 N 1.96 2.70 -4.12 3.18 4.01 -1.20 -4.93 117.16 118.77 2k4i n TYR 29 Ca -0.18 0.21 -0.08 0.00 -0.16 0.00 0.00 57.90 57.68 2k4i n TYR 29 Cb 0.54 -2.60 -0.10 0.00 -0.31 0.00 0.00 39.34 36.86 2k4i n TYR 29 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2k4i s ARG 30 N 0.16 0.69 0.41 -0.72 0.52 -1.26 -4.39 118.95 114.36 2k4i s ARG 30 Ca 0.69 -1.25 0.25 0.00 -0.52 0.00 0.00 55.73 54.91 2k4i s ARG 30 Cb -0.53 0.05 1.33 0.00 0.52 0.00 0.00 34.95 36.31 2k4i s ARG 30 CO 0.42 -0.07 1.65 1.25 0.02 0.00 0.00 175.30 178.57 2k4i h LEU 31 N 3.13 0.32 -0.56 2.53 5.85 -1.98 0.35 115.31 124.95 2k4i h LEU 31 Ca -0.34 0.15 0.11 0.00 0.84 0.00 0.00 57.88 58.63 2k4i h LEU 31 Cb 1.15 0.12 -0.09 0.00 0.37 0.00 0.00 40.66 42.21 2k4i h LEU 31 CO 0.65 -0.16 0.00 0.11 -0.34 0.00 0.00 178.44 178.70 2k4i h LYS 32 N 0.16 0.12 -0.52 1.25 1.79 -1.99 -0.01 116.57 117.36 2k4i h LYS 32 Ca 0.78 -0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 59.21 2k4i h LYS 32 Cb 2.27 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 32.87 2k4i h LYS 32 CO -0.45 0.08 0.19 0.45 -1.08 0.00 0.00 179.45 178.63 2k4i h HIS 33 N 0.12 0.77 -0.10 -1.35 3.86 -0.70 -2.20 115.15 115.56 2k4i h HIS 33 Ca 0.28 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.44 2k4i h HIS 33 Cb 0.44 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 28.67 2k4i h HIS 33 CO -0.34 0.62 0.03 0.82 0.86 0.00 0.00 177.93 179.92 2k4i h ILE 34 N 0.75 1.16 -0.95 2.45 2.04 -0.96 -2.03 117.51 119.97 2k4i h ILE 34 Ca 0.18 -0.48 0.03 0.00 1.00 0.00 0.00 64.86 65.58 2k4i h ILE 34 Cb 0.19 1.30 -0.05 0.00 -0.74 0.00 0.00 36.82 37.52 2k4i h ILE 34 CO -0.01 0.14 0.63 0.58 0.00 0.00 0.00 178.15 179.49 2k4i h VAL 35 N -0.01 1.20 0.00 1.67 2.07 -1.15 -0.46 116.25 119.56 2k4i h VAL 35 Ca 0.03 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 2k4i h VAL 35 Cb 0.19 -0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 29.81 2k4i h VAL 35 CO -0.00 0.23 -0.06 -0.25 0.02 0.00 0.00 177.57 177.50 2k4i h TRP 36 N 1.24 0.00 0.01 1.57 7.01 -1.21 -2.92 115.95 121.64 2k4i h TRP 36 Ca 0.37 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.37 2k4i h TRP 36 Cb -0.05 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.01 2k4i h TRP 36 CO -0.00 0.06 -0.00 0.00 -2.79 0.00 0.00 178.44 175.71 2k4i h ALA 37 N 1.94 -0.01 -0.78 2.65 0.00 -0.36 -3.32 119.26 119.37 2k4i h ALA 37 Ca -0.00 -0.38 0.15 0.00 0.00 0.00 0.00 54.91 54.68 2k4i h ALA 37 Cb 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 2k4i h ALA 37 CO 0.01 -0.02 0.52 0.00 0.00 0.00 0.00 179.25 179.76 2k4i h ALA 38 N -0.20 2.07 -0.40 0.00 0.00 -1.33 0.90 119.26 120.30 2k4i h ALA 38 Ca -0.00 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.01 2k4i h ALA 38 Cb 0.76 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2k4i h ALA 38 CO 0.00 -0.29 0.28 -0.97 0.00 0.00 0.00 179.25 178.27 2k4i h ASN 39 N 0.46 0.09 -0.04 0.00 -0.00 -1.61 -1.76 115.58 112.72 2k4i h ASN 39 Ca 0.39 0.00 -0.13 0.00 -0.00 0.00 0.00 56.30 56.56 2k4i h ASN 39 Cb 0.84 -0.02 0.01 0.00 -0.00 0.00 0.00 38.32 39.15 2k4i h ASN 39 CO -0.13 0.06 -0.50 0.11 -0.00 0.00 0.00 177.43 176.97 2k4i h LYS 40 N 0.11 0.40 -0.52 6.67 1.79 -0.94 -3.17 116.57 120.90 2k4i h LYS 40 Ca 0.19 -0.38 0.15 0.00 -2.18 0.00 0.00 60.65 58.42 2k4i h LYS 40 Cb 0.60 0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 31.33 2k4i h LYS 40 CO -0.02 1.04 0.47 -0.07 -1.08 0.00 0.00 179.45 179.79 2k4i h LEU 41 N -0.10 0.00 -0.04 2.94 3.38 -1.22 -0.65 115.31 119.61 2k4i h LEU 41 Ca -0.05 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 2k4i h LEU 41 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2k4i h LEU 41 CO 0.10 0.00 -0.15 -0.78 0.09 0.00 0.00 178.44 177.70 2k4i h ASP 42 N 0.00 0.20 -0.35 -0.43 3.58 -1.48 0.33 116.42 118.27 2k4i h ASP 42 Ca 0.25 -0.63 0.10 0.00 0.42 0.00 0.00 57.03 57.17 2k4i h ASP 42 Cb 1.18 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 42.16 2k4i h ASP 42 CO -0.00 0.80 0.49 -0.09 -2.88 0.00 0.00 179.24 177.56 2k4i h ARG 43 N -0.39 0.00 0.00 0.28 9.65 -1.13 -1.83 114.38 120.96 2k4i h ARG 43 Ca -0.01 0.00 -0.40 0.00 -1.10 0.00 0.00 59.98 58.48 2k4i h ARG 43 Cb 0.79 0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 29.30 2k4i h ARG 43 CO 0.03 0.00 -2.44 1.19 2.80 0.00 0.00 179.97 181.55 2k4i n PHE 44 N -3.46 0.00 0.00 2.20 3.72 -1.14 -4.79 117.46 113.99 2k4i n PHE 44 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 2k4i n PHE 44 Cb 0.64 -0.96 0.00 0.00 -0.94 0.00 0.00 39.48 38.22 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 2.01 4.32 3.37 1.37 0.00 0.11 -5.01 105.19 111.36 2k4i n GLY 45 Ca -0.47 -0.83 -0.46 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.66 -4.77 0.99 4.32 -0.83 -4.77 117.00 110.29 2k4i n LEU 46 Ca 0.00 1.01 -0.36 0.00 -0.02 0.00 0.00 56.01 56.64 2k4i n LEU 46 Cb 0.00 -0.94 -0.00 0.00 -1.62 0.00 0.00 43.42 40.85 2k4i n LEU 46 CO 0.00 -3.35 0.81 0.00 -1.22 0.00 0.00 177.39 173.63 2k4i s ALA 47 N -1.25 2.80 -0.12 -1.18 0.00 -1.26 -4.10 121.76 116.65 2k4i s ALA 47 Ca 0.62 0.88 0.14 0.00 0.00 0.00 0.00 51.96 53.61 2k4i s ALA 47 Cb -0.81 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 18.94 2k4i s ALA 47 CO 0.59 -0.75 1.34 1.05 0.00 0.00 0.00 175.76 177.99 2k4i h GLU 48 N 1.52 0.00 0.00 0.00 4.11 -1.89 -3.19 114.58 115.14 2k4i h GLU 48 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 2k4i h GLU 48 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2k4i h GLU 48 CO 0.58 0.54 0.00 0.45 0.07 0.00 0.00 179.01 180.65 2k4i n SER 49 N -3.20 0.00 0.00 3.06 2.88 -1.26 -2.05 113.62 113.05 2k4i n SER 49 Ca 0.00 0.47 0.12 0.00 -1.33 0.00 0.00 58.87 58.14 2k4i n SER 49 Cb 0.78 -0.49 0.66 0.00 -0.75 0.00 0.00 64.21 64.40 2k4i n SER 49 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2k4i n LEU 50 N -1.49 0.00 0.00 2.46 4.77 -1.20 -2.82 117.00 118.72 2k4i n LEU 50 Ca 0.03 0.16 0.15 0.00 -0.03 0.00 0.00 56.01 56.33 2k4i n LEU 50 Cb 0.14 -0.16 0.92 0.00 -2.33 0.00 0.00 43.42 41.99 2k4i n LEU 50 CO 0.11 -0.04 1.08 0.18 -1.33 0.00 0.00 177.39 177.40 2k4i n LEU 51 N -1.16 0.00 -0.17 2.23 4.77 -0.87 -2.92 117.00 118.87 2k4i n LEU 51 Ca 0.14 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.22 2k4i n LEU 51 Cb 0.14 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.39 2k4i n LEU 51 CO 0.16 0.00 0.58 -1.84 -1.33 0.00 0.00 177.39 174.96 2k4i n GLU 52 N -1.00 1.45 -3.91 3.23 0.28 -1.13 -4.93 120.64 114.64 2k4i n GLU 52 Ca 0.23 -2.63 -0.18 0.00 -0.16 0.00 0.00 57.16 54.42 2k4i n GLU 52 Cb 0.11 -1.54 -0.16 0.00 1.43 0.00 0.00 31.44 31.27 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 -2.80 0.55 0.15 -1.84 0.15 -1.15 -5.05 113.70 103.73 2k4i s SER 53 Ca 0.33 -0.03 -0.19 0.00 0.70 0.00 0.00 55.95 56.76 2k4i s SER 53 Cb 0.29 -0.24 0.05 0.00 -1.71 0.00 0.00 66.02 64.41 2k4i s SER 53 CO 0.03 -0.11 1.67 0.50 1.20 0.00 0.00 173.24 176.53 2k4i h LYS 54 N 7.38 -0.07 -0.84 5.44 3.64 -1.89 0.44 116.57 130.68 2k4i h LYS 54 Ca -0.39 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.98 2k4i h LYS 54 Cb 1.13 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.93 2k4i h LYS 54 CO 0.44 -0.04 0.46 0.93 -2.27 0.00 0.00 179.45 178.97 2k4i h GLU 55 N -0.07 1.16 -0.19 1.90 4.39 -1.96 -0.50 114.58 119.31 2k4i h GLU 55 Ca 0.16 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 2k4i h GLU 55 Cb 0.31 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 2k4i h GLU 55 CO -0.36 0.85 0.08 0.78 -1.16 0.00 0.00 179.01 179.20 2k4i h GLY 56 N 1.19 0.30 2.00 -3.84 0.00 -1.46 -2.54 103.07 98.72 2k4i h GLY 56 Ca 0.30 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.39 2k4i h GLY 56 CO -0.05 0.15 -0.35 0.00 0.00 0.00 0.00 176.54 176.30 2k4i h GLN 58 N 0.00 0.84 0.00 0.00 -0.00 -0.79 -1.48 115.11 113.68 2k4i h GLN 58 Ca -0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 58.65 58.44 2k4i h GLN 58 Cb 0.73 -0.11 0.00 0.00 0.00 0.00 0.00 27.48 28.10 2k4i h GLN 58 CO 0.05 0.81 0.00 1.63 0.00 0.00 0.00 178.83 181.31 2k4i n LYS 59 N -4.43 0.01 0.00 1.69 5.02 -0.98 -3.00 118.16 116.47 2k4i n LYS 59 Ca 0.02 0.16 -0.22 0.00 -2.02 0.00 0.00 58.31 56.25 2k4i n LYS 59 Cb 0.23 -1.52 -0.14 0.00 -0.02 0.00 0.00 35.03 33.58 2k4i n LYS 59 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2k4i h ILE 60 N 0.00 0.69 0.00 -0.18 2.04 -1.27 -3.32 117.51 115.47 2k4i h ILE 60 Ca 0.00 -2.34 -0.06 0.00 1.00 0.00 0.00 64.86 63.46 2k4i h ILE 60 Cb 0.36 2.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.94 2k4i h ILE 60 CO 0.00 0.84 -0.27 -0.07 0.00 0.00 0.00 178.15 178.64 2k4i h LEU 61 N -0.05 0.00 -0.70 1.44 3.38 -1.24 -0.79 115.31 117.35 2k4i h LEU 61 Ca -0.41 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.42 2k4i h LEU 61 Cb 1.96 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.70 2k4i h LEU 61 CO 0.06 0.27 -0.53 0.00 0.09 0.00 0.00 178.44 178.33 2k4i h THR 62 N 0.00 1.35 0.00 0.22 1.03 -1.68 0.32 112.91 114.14 2k4i h THR 62 Ca -0.00 -1.81 -0.21 0.00 -0.01 0.00 0.00 66.41 64.38 2k4i h THR 62 Cb 0.51 1.85 -0.03 0.00 -1.07 0.00 0.00 68.15 69.41 2k4i h THR 62 CO 0.04 0.54 -1.18 0.58 -0.01 0.00 0.00 175.52 175.49 2k4i h VAL 63 N 0.25 1.22 0.00 0.00 2.07 -1.55 -3.30 116.25 114.94 2k4i h VAL 63 Ca 0.01 -2.91 0.00 0.00 0.82 0.00 0.00 66.70 64.62 2k4i h VAL 63 Cb 1.02 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 33.37 2k4i h VAL 63 CO 0.09 0.70 -0.79 -0.07 0.02 0.00 0.00 177.57 177.51 2k4i h LEU 64 N 0.00 0.00 0.65 2.57 3.38 -1.09 -3.28 115.31 117.54 2k4i h LEU 64 Ca -0.10 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 2k4i h LEU 64 Cb 1.77 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.53 2k4i h LEU 64 CO 0.10 0.07 -0.31 0.44 0.09 0.00 0.00 178.44 178.83 2k4i h ASP 65 N 0.00 -0.74 0.85 -0.43 3.32 -0.45 -0.75 116.42 118.22 2k4i h ASP 65 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2k4i h ASP 65 Cb 0.84 0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.58 2k4i h ASP 65 CO 0.00 -0.50 0.00 1.55 -1.72 0.00 0.00 179.24 178.57 2k4i h PRO 66 N -0.94 0.00 -0.01 3.56 0.13 -1.75 -2.27 132.00 130.72 2k4i h PRO 66 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 2k4i h PRO 66 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 2k4i h PRO 66 CO 0.15 0.00 -0.30 -1.33 -0.23 0.00 0.00 178.00 176.29 2k4i n MET 67 N -2.65 0.77 0.11 0.86 2.81 -1.17 -4.25 117.12 113.60 2k4i n MET 67 Ca 0.01 -0.46 -0.16 0.00 -1.81 0.00 0.00 57.70 55.28 2k4i n MET 67 Cb 0.26 -1.49 -0.10 0.00 -0.71 0.00 0.00 33.22 31.18 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 1.13 0.00 -0.09 2.03 2.07 -0.51 0.33 116.25 121.21 2k4i h VAL 68 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 2k4i h VAL 68 Cb 0.52 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 2k4i h VAL 68 CO 0.00 0.00 -0.09 1.55 0.02 0.00 0.00 177.57 179.05 2k4i h PRO 69 N -0.72 0.22 -1.38 1.57 0.13 -1.79 -3.18 132.00 126.84 2k4i h PRO 69 Ca -0.01 -0.12 -0.29 0.00 -0.87 0.00 0.00 66.00 64.72 2k4i h PRO 69 Cb 0.73 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.73 2k4i h PRO 69 CO -0.28 0.64 0.37 -2.37 -0.23 0.00 0.00 178.00 176.13 2k4i n THR 70 N -4.67 2.53 -4.24 1.56 5.66 -1.18 -4.85 114.28 109.08 2k4i n THR 70 Ca -0.07 -1.39 -0.17 0.00 -3.05 0.00 0.00 64.05 59.37 2k4i n THR 70 Cb 0.32 -1.17 -0.15 0.00 -1.55 0.00 0.00 70.33 67.78 2k4i n THR 70 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2k4i s GLY 71 N 0.17 0.35 1.05 1.09 0.00 0.11 -4.89 107.32 105.20 2k4i s GLY 71 Ca 0.29 -0.26 -0.17 0.00 0.00 0.00 0.00 44.72 44.57 2k4i s GLY 71 CO 0.01 -0.16 0.06 -1.14 0.00 0.00 0.00 173.10 171.87 2k4i n SER 72 N 3.05 -2.43 0.02 1.64 3.41 -1.26 -4.47 113.62 113.57 2k4i n SER 72 Ca -0.15 0.06 0.14 0.00 -0.26 0.00 0.00 58.87 58.66 2k4i n SER 72 Cb 0.57 -1.02 0.59 0.00 -0.26 0.00 0.00 64.21 64.09 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 -1.80 0.18 0.00 4.33 5.08 -1.99 0.27 114.58 120.66 2k4i h GLU 73 Ca -0.49 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2k4i h GLU 73 Cb 1.33 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2k4i h GLU 73 CO 0.36 0.12 0.00 -0.91 -1.00 0.00 0.00 179.01 177.57 2k4i h ASN 74 N 0.19 0.00 0.00 1.42 2.35 -2.01 -2.66 115.58 114.87 2k4i h ASN 74 Ca 0.21 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.71 2k4i h ASN 74 Cb 0.59 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.93 2k4i h ASN 74 CO -0.03 0.00 -1.38 -0.11 -1.65 0.00 0.00 177.43 174.26 2k4i n LEU 75 N -2.53 1.89 -0.35 1.61 0.00 0.92 -3.70 117.00 114.84 2k4i n LEU 75 Ca 0.01 0.41 0.07 0.00 0.00 0.00 0.00 56.01 56.50 2k4i n LEU 75 Cb 0.23 -0.96 0.25 0.00 0.00 0.00 0.00 43.42 42.94 2k4i n LEU 75 CO 0.21 0.32 1.24 0.50 0.00 0.00 0.00 177.39 179.66 2k4i h LYS 76 N -0.96 0.95 0.20 1.96 3.64 -1.40 -1.30 116.57 119.66 2k4i h LYS 76 Ca -0.38 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 58.94 2k4i h LYS 76 Cb 1.35 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 2k4i h LYS 76 CO -0.22 0.63 -0.10 0.77 -2.27 0.00 0.00 179.45 178.27 2k4i h SER 77 N 0.98 -0.23 -0.64 4.20 0.02 -1.65 -2.69 113.55 113.54 2k4i h SER 77 Ca 0.48 -0.07 0.07 0.00 -0.84 0.00 0.00 61.79 61.42 2k4i h SER 77 Cb 0.46 0.06 -0.04 0.00 0.14 0.00 0.00 62.40 63.02 2k4i h SER 77 CO -0.24 -0.07 0.43 0.25 -1.14 0.00 0.00 176.83 176.06 2k4i h LEU 78 N -0.37 0.54 -0.90 5.07 5.85 -1.49 -1.43 115.31 122.57 2k4i h LEU 78 Ca -0.03 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.73 2k4i h LEU 78 Cb 0.29 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 2k4i h LEU 78 CO 0.05 0.35 0.58 0.15 -0.34 0.00 0.00 178.44 179.22 2k4i h PHE 79 N 0.61 1.09 0.00 1.25 3.57 -0.93 0.30 116.94 122.83 2k4i h PHE 79 Ca 0.28 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.78 2k4i h PHE 79 Cb 0.32 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 38.69 2k4i h PHE 79 CO -0.00 0.62 -0.13 -0.91 -2.23 0.00 0.00 178.31 175.67 2k4i h ASN 80 N 1.13 0.00 0.16 0.41 4.21 -1.05 -2.71 115.58 117.73 2k4i h ASN 80 Ca 0.36 0.00 -0.33 0.00 1.21 0.00 0.00 56.30 57.54 2k4i h ASN 80 Cb 0.01 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.22 2k4i h ASN 80 CO -0.12 0.13 -1.66 0.74 -1.29 0.00 0.00 177.43 175.22 2k4i h THR 81 N 0.00 0.94 0.00 2.81 2.02 -0.83 -3.32 112.91 114.52 2k4i h THR 81 Ca -0.00 -2.46 -0.04 0.00 0.77 0.00 0.00 66.41 64.68 2k4i h THR 81 Cb 0.64 2.73 -0.01 0.00 -1.74 0.00 0.00 68.15 69.78 2k4i h THR 81 CO 0.02 0.81 -0.18 0.58 0.37 0.00 0.00 175.52 177.12 2k4i h VAL 82 N -0.03 1.03 0.00 3.16 2.07 -0.42 -1.53 116.25 120.53 2k4i h VAL 82 Ca -0.34 -0.63 -0.04 0.00 0.82 0.00 0.00 66.70 66.51 2k4i h VAL 82 Cb 1.99 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 33.10 2k4i h VAL 82 CO 0.13 0.17 -0.21 0.00 0.02 0.00 0.00 177.57 177.69 2k4i h VAL 84 N 0.00 1.02 0.42 0.00 2.07 -1.39 -3.26 116.25 115.10 2k4i h VAL 84 Ca -0.00 -2.58 -0.02 0.00 0.82 0.00 0.00 66.70 64.92 2k4i h VAL 84 Cb 0.76 2.82 0.00 0.00 -1.52 0.00 0.00 31.29 33.35 2k4i h VAL 84 CO 0.03 0.85 -0.20 0.40 0.02 0.00 0.00 177.57 178.66 2k4i h ILE 85 N 0.11 0.58 -0.85 4.57 1.08 -1.38 -2.79 117.51 118.83 2k4i h ILE 85 Ca -0.32 -0.25 0.17 0.00 -0.39 0.00 0.00 64.86 64.07 2k4i h ILE 85 Cb 2.11 0.70 -0.10 0.00 -3.07 0.00 0.00 36.82 36.46 2k4i h ILE 85 CO 0.20 0.05 0.40 -0.25 -0.69 0.00 0.00 178.15 177.85 2k4i h TRP 86 N -0.71 0.68 0.31 1.37 7.01 -1.66 -1.95 115.95 121.00 2k4i h TRP 86 Ca -0.06 0.04 0.00 0.00 2.11 0.00 0.00 58.89 60.98 2k4i h TRP 86 Cb 0.51 -0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 27.36 2k4i h TRP 86 CO -0.01 0.09 -0.43 0.00 -2.79 0.00 0.00 178.44 175.29 2k4i h ILE 88 N -0.79 0.58 -0.00 0.00 2.04 -1.10 0.34 117.51 118.58 2k4i h ILE 88 Ca -0.02 -0.15 -0.16 0.00 1.00 0.00 0.00 64.86 65.53 2k4i h ILE 88 Cb 0.73 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 2k4i h ILE 88 CO -0.14 0.08 -0.77 0.45 0.00 0.00 0.00 178.15 177.78 2k4i h HIS 89 N 0.45 0.01 -0.23 1.37 3.86 -0.84 -3.04 115.15 116.73 2k4i h HIS 89 Ca 0.57 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.78 2k4i h HIS 89 Cb 1.36 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.83 2k4i h HIS 89 CO -0.00 0.77 0.00 0.00 0.86 0.00 0.00 177.93 179.56 2k4i n ALA 90 N -2.40 2.78 -1.02 2.45 0.00 0.11 -4.84 120.51 117.59 2k4i n ALA 90 Ca -0.01 -0.59 -0.01 0.00 0.00 0.00 0.00 53.44 52.84 2k4i n ALA 90 Cb 0.74 -1.02 -0.00 0.00 0.00 0.00 0.00 19.45 19.17 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 0.24 -1.14 -3.01 0.00 2.13 -0.98 -4.98 120.64 112.91 2k4i n GLU 91 Ca 0.09 0.32 -0.35 0.00 0.66 0.00 0.00 57.16 57.88 2k4i n GLU 91 Cb 0.44 -4.19 -0.06 0.00 0.27 0.00 0.00 31.44 27.90 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 -1.23 4.23 -0.03 5.31 0.41 -0.37 -4.99 118.70 122.03 2k4i s GLU 92 Ca 0.00 0.93 0.04 0.00 -0.41 0.00 0.00 54.97 55.53 2k4i s GLU 92 Cb 0.00 -2.62 -0.00 0.00 -1.78 0.00 0.00 34.13 29.73 2k4i s GLU 92 CO 0.00 0.23 -0.15 0.15 -0.49 0.00 0.00 175.26 175.00 2k4i s LYS 93 N -2.48 1.54 0.05 1.61 1.02 -1.26 -3.76 119.74 116.45 2k4i s LYS 93 Ca 0.51 -0.54 -0.01 0.00 0.02 0.00 0.00 55.97 55.95 2k4i s LYS 93 Cb -0.14 -1.38 -0.04 0.00 -0.52 0.00 0.00 37.83 35.76 2k4i s LYS 93 CO 0.19 0.24 -0.03 0.14 -0.92 0.00 0.00 175.35 174.97 2k4i s VAL 94 N -0.00 0.22 -0.14 3.17 -7.23 -1.26 -5.00 120.40 110.16 2k4i s VAL 94 Ca -0.02 -1.61 0.19 0.00 -1.81 0.00 0.00 61.98 58.73 2k4i s VAL 94 Cb -0.10 -1.23 -0.16 0.00 0.56 0.00 0.00 36.38 35.44 2k4i s VAL 94 CO 0.01 -0.87 0.71 0.29 -0.31 0.00 0.00 175.10 174.93 2k4i n LYS 95 N 0.45 0.63 -3.37 4.82 5.02 -1.26 -4.79 118.16 119.67 2k4i n LYS 95 Ca -0.16 0.10 -0.13 0.00 -2.02 0.00 0.00 58.31 56.10 2k4i n LYS 95 Cb 0.60 -1.73 -0.05 0.00 -0.02 0.00 0.00 35.03 33.83 2k4i n LYS 95 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2k4i n ASP 96 N -2.72 0.05 0.04 4.39 5.68 -1.26 -2.03 116.55 120.70 2k4i n ASP 96 Ca -0.10 -2.31 -0.12 0.00 -0.50 0.00 0.00 54.79 51.76 2k4i n ASP 96 Cb 0.78 0.88 -0.13 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 1.57 1.25 -0.61 2.12 2.02 -1.59 -3.32 112.91 114.35 2k4i h THR 97 Ca -0.16 -2.97 -0.05 0.00 0.77 0.00 0.00 66.41 64.00 2k4i h THR 97 Cb 0.72 2.70 -0.03 0.00 -1.74 0.00 0.00 68.15 69.81 2k4i h THR 97 CO 0.24 0.79 0.19 -0.33 0.37 0.00 0.00 175.52 176.77 2k4i h GLU 98 N 0.03 0.94 -0.66 6.66 4.39 -1.87 -2.07 114.58 122.00 2k4i h GLU 98 Ca -0.18 -0.20 0.03 0.00 0.34 0.00 0.00 59.36 59.35 2k4i h GLU 98 Cb 1.94 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 30.41 2k4i h GLU 98 CO 0.13 0.84 0.41 0.78 -1.16 0.00 0.00 179.01 180.01 2k4i h GLY 99 N 0.86 0.95 1.01 -3.84 0.00 -1.99 -2.19 103.07 97.87 2k4i h GLY 99 Ca 0.20 -0.31 -0.09 0.00 0.00 0.00 0.00 47.33 47.13 2k4i h GLY 99 CO -0.01 0.26 -0.04 0.00 0.00 0.00 0.00 176.54 176.75 2k4i h ALA 100 N 1.29 0.64 -0.86 3.60 0.00 -1.62 -2.73 119.26 119.58 2k4i h ALA 100 Ca 0.27 -0.30 0.08 0.00 0.00 0.00 0.00 54.91 54.95 2k4i h ALA 100 Cb 0.02 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 2k4i h ALA 100 CO -0.11 0.48 0.56 -0.22 0.00 0.00 0.00 179.25 179.96 2k4i h LYS 101 N 0.71 0.87 -0.30 0.00 3.64 -1.00 -1.87 116.57 118.62 2k4i h LYS 101 Ca 0.13 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.38 2k4i h LYS 101 Cb 0.57 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 2k4i h LYS 101 CO 0.03 0.58 -0.10 1.96 -2.27 0.00 0.00 179.45 179.66 2k4i h GLN 102 N 0.90 0.60 -0.50 1.90 4.20 -1.21 -2.31 115.11 118.69 2k4i h GLN 102 Ca 0.38 -0.24 0.05 0.00 0.06 0.00 0.00 58.65 58.90 2k4i h GLN 102 Cb 0.31 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.01 2k4i h GLN 102 CO -0.15 0.80 0.22 0.82 -0.67 0.00 0.00 178.83 179.86 2k4i h ILE 103 N 0.36 0.91 -0.07 2.54 2.04 -1.06 -1.16 117.51 121.07 2k4i h ILE 103 Ca 0.07 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 2k4i h ILE 103 Cb 0.60 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 2k4i h ILE 103 CO 0.03 0.08 0.03 0.58 0.00 0.00 0.00 178.15 178.88 2k4i h VAL 104 N 0.44 1.10 -0.06 1.67 2.07 -1.35 -2.09 116.25 118.03 2k4i h VAL 104 Ca 0.23 -0.30 0.04 0.00 0.82 0.00 0.00 66.70 67.48 2k4i h VAL 104 Cb 0.17 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 2k4i h VAL 104 CO -0.18 0.09 -0.24 -0.09 0.02 0.00 0.00 177.57 177.16 2k4i h ARG 105 N -0.00 -0.33 -0.16 1.57 2.43 -1.06 0.17 114.38 116.99 2k4i h ARG 105 Ca 0.02 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.26 2k4i h ARG 105 Cb 0.11 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 2k4i h ARG 105 CO -0.00 -0.22 0.14 -0.09 -1.51 0.00 0.00 179.97 178.29 2k4i h ARG 106 N -0.34 0.00 0.00 0.20 9.65 -1.16 0.12 114.38 122.85 2k4i h ARG 106 Ca 0.08 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.91 2k4i h ARG 106 Cb 0.46 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.03 2k4i h ARG 106 CO -0.26 0.00 -0.23 0.45 2.80 0.00 0.00 179.97 182.73 2k4i h HIS 107 N 0.00 0.00 0.00 2.20 3.86 -0.29 -3.15 115.15 117.77 2k4i h HIS 107 Ca 0.08 0.00 -0.35 0.00 -1.16 0.00 0.00 60.37 58.93 2k4i h HIS 107 Cb 0.36 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.78 2k4i h HIS 107 CO 0.00 0.23 -1.92 1.28 0.86 0.00 0.00 177.93 178.38 2k4i n LEU 108 N -3.17 1.96 -0.33 2.43 4.77 0.11 -4.36 117.00 118.42 2k4i n LEU 108 Ca 0.03 0.36 0.14 0.00 -0.03 0.00 0.00 56.01 56.51 2k4i n LEU 108 Cb 0.61 -0.90 0.37 0.00 -2.33 0.00 0.00 43.42 41.16 2k4i n LEU 108 CO 0.37 0.45 1.21 0.58 -1.33 0.00 0.00 177.39 178.67 2k4i h VAL 109 N -0.94 0.72 -0.60 4.08 2.07 -1.03 0.22 116.25 120.77 2k4i h VAL 109 Ca -0.53 -0.24 0.15 0.00 0.82 0.00 0.00 66.70 66.91 2k4i h VAL 109 Cb 1.49 -0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 2k4i h VAL 109 CO -0.30 0.13 0.42 0.00 0.02 0.00 0.00 177.57 177.84 2k4i h ALA 110 N 1.62 2.39 0.00 1.67 0.00 -1.74 0.98 119.26 124.19 2k4i h ALA 110 Ca 0.54 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 55.25 2k4i h ALA 110 Cb 0.94 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 2k4i h ALA 110 CO -0.31 -0.56 -0.98 1.49 0.00 0.00 0.00 179.25 178.88 2k4i h GLU 111 N 0.13 0.00 -0.07 0.00 4.22 -0.78 -3.27 114.58 114.81 2k4i h GLU 111 Ca 0.29 0.00 0.02 0.00 0.08 0.00 0.00 59.36 59.75 2k4i h GLU 111 Cb 0.98 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 2k4i h GLU 111 CO -0.04 0.76 0.06 1.15 -2.18 0.00 0.00 179.01 178.76 2k4i h THR 112 N 0.00 0.78 0.00 0.32 2.02 -0.48 -0.89 112.91 114.66 2k4i h THR 112 Ca -0.05 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.08 2k4i h THR 112 Cb 1.68 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 69.05 2k4i h THR 112 CO 0.10 0.00 -0.23 1.23 0.37 0.00 0.00 175.52 176.99 2k4i h GLY 113 N 0.00 0.00 -1.76 2.16 0.00 -1.58 -2.77 103.07 99.11 2k4i h GLY 113 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.23 2k4i h GLY 113 CO -0.00 0.00 -0.25 -0.37 0.00 0.00 0.00 176.54 175.92 2k4i n THR 114 N -3.94 2.45 -2.65 4.70 5.66 -0.37 -4.62 114.28 115.51 2k4i n THR 114 Ca -0.02 -3.00 -0.03 0.00 -3.05 0.00 0.00 64.05 57.95 2k4i n THR 114 Cb 0.31 -0.33 0.11 0.00 -1.55 0.00 0.00 70.33 68.87 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 -1.11 1.80 -0.10 1.79 0.00 -1.02 -4.97 120.51 116.90 2k4i n ALA 115 Ca 0.29 -0.89 0.17 0.00 0.00 0.00 0.00 53.44 53.01 2k4i n ALA 115 Cb 0.91 -0.82 0.58 0.00 0.00 0.00 0.00 19.45 20.12 2k4i n ALA 115 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2k4i h GLU 116 N 1.04 0.25 -0.44 0.00 5.08 -1.77 0.80 114.58 119.54 2k4i h GLU 116 Ca -0.37 -0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.09 2k4i h GLU 116 Cb 1.26 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 2k4i h GLU 116 CO -0.15 0.17 0.31 0.87 -1.00 0.00 0.00 179.01 179.21 2k4i h LYS 117 N 0.26 0.09 -5.41 2.33 1.57 -1.93 -3.47 116.57 110.00 2k4i h LYS 117 Ca 0.32 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 59.06 2k4i h LYS 117 Cb 0.90 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.19 2k4i h LYS 117 CO -0.07 0.06 -0.37 -0.12 -0.57 0.00 0.00 179.45 178.37 2k4i n MET 118 N -4.43 -1.97 -2.05 3.15 0.00 0.27 -4.82 117.12 107.28 2k4i n MET 118 Ca 0.07 1.84 -0.28 0.00 -0.00 0.00 0.00 57.70 59.33 2k4i n MET 118 Cb 0.45 -5.46 -0.05 0.00 0.00 0.00 0.00 33.22 28.17 2k4i n MET 118 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 2k4i s PRO 119 N -2.81 2.57 0.29 2.12 0.04 -1.26 -4.90 135.00 131.05 2k4i s PRO 119 Ca 0.16 -0.21 0.05 0.00 0.04 0.00 0.00 61.00 61.04 2k4i s PRO 119 Cb -0.04 -5.00 -0.03 0.00 0.04 0.00 0.00 34.50 29.47 2k4i s PRO 119 CO 0.77 -3.31 0.22 -1.12 0.04 0.00 0.00 177.00 173.61 2k4i s SER 120 N 8.02 1.26 -0.04 6.66 0.01 -1.26 -5.18 113.70 123.17 2k4i s SER 120 Ca 0.70 -1.64 -0.09 0.00 1.31 0.00 0.00 55.95 56.23 2k4i s SER 120 Cb -0.07 0.49 0.01 0.00 0.21 0.00 0.00 66.02 66.67 2k4i s SER 120 CO 0.01 -0.98 0.21 0.42 0.41 0.00 0.00 173.24 173.31 2k4i s THR 121 N -3.65 0.04 0.67 1.44 -4.23 -1.26 -5.15 115.64 103.49 2k4i s THR 121 Ca 0.40 -0.32 -0.16 0.00 -1.18 0.00 0.00 61.69 60.42 2k4i s THR 121 Cb 0.04 -0.41 0.00 0.00 1.34 0.00 0.00 72.50 73.47 2k4i s THR 121 CO 0.22 -0.18 1.18 -0.55 -0.54 0.00 0.00 174.62 174.76 2k4i s SER 122 N -0.65 4.76 0.05 3.99 0.15 -1.26 -5.04 113.70 115.69 2k4i s SER 122 Ca -0.07 2.28 0.09 0.00 0.70 0.00 0.00 55.95 58.95 2k4i s SER 122 Cb -0.04 -2.58 -0.03 0.00 -1.71 0.00 0.00 66.02 61.66 2k4i s SER 122 CO 0.01 -1.88 -0.26 0.00 1.20 0.00 0.00 173.24 172.32 2k4i s ARG 123 N -3.75 1.73 1.20 5.44 1.70 -1.26 -5.14 118.95 118.88 2k4i s ARG 123 Ca 0.74 -1.09 -0.20 0.00 -0.47 0.00 0.00 55.73 54.71 2k4i s ARG 123 Cb -0.27 -1.90 0.30 0.00 -0.57 0.00 0.00 34.95 32.50 2k4i s ARG 123 CO 0.40 0.49 1.07 -0.35 -1.08 0.00 0.00 175.30 175.83 2k4i n PRO 124 N 1.79 -3.10 -5.22 3.89 -0.04 -1.26 -5.07 135.00 125.99 2k4i n PRO 124 Ca -0.17 -1.71 -0.31 0.00 -0.04 0.00 0.00 63.50 61.27 2k4i n PRO 124 Cb 0.52 -1.60 -0.17 0.00 -0.04 0.00 0.00 33.50 32.21 2k4i n PRO 124 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2k4i s THR 125 N -2.94 2.01 0.17 0.52 2.01 -1.26 -5.13 115.64 111.02 2k4i s THR 125 Ca 0.70 -1.02 0.11 0.00 0.31 0.00 0.00 61.69 61.78 2k4i s THR 125 Cb -0.07 -1.72 -0.04 0.00 0.01 0.00 0.00 72.50 70.68 2k4i s THR 125 CO 0.53 0.56 -0.23 0.00 -0.69 0.00 0.00 174.62 174.79 2k4i s ALA 126 N 0.07 2.38 0.35 7.40 0.00 -1.26 -5.12 121.76 125.58 2k4i s ALA 126 Ca -0.10 -1.57 -0.27 0.00 0.00 0.00 0.00 51.96 50.02 2k4i s ALA 126 Cb -0.15 -0.31 -0.09 0.00 0.00 0.00 0.00 23.12 22.57 2k4i s ALA 126 CO 0.06 0.41 1.21 -1.25 0.00 0.00 0.00 175.76 176.19 2k4i s PRO 127 N -2.55 4.26 0.33 0.00 0.04 -1.26 -4.96 135.00 130.86 2k4i s PRO 127 Ca 0.18 1.98 -0.28 0.00 0.04 0.00 0.00 61.00 62.91 2k4i s PRO 127 Cb -0.08 -2.91 -0.12 0.00 0.04 0.00 0.00 34.50 31.43 2k4i s PRO 127 CO 0.08 -0.18 1.33 0.43 0.04 0.00 0.00 177.00 178.70 2k4i n SER 128 N 0.53 2.91 -4.86 6.66 7.64 -1.26 -4.97 113.62 120.27 2k4i n SER 128 Ca 0.02 1.20 -0.31 0.00 1.01 0.00 0.00 58.87 60.79 2k4i n SER 128 Cb 0.44 -1.50 -0.03 0.00 -1.01 0.00 0.00 64.21 62.11 2k4i n SER 128 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2k4i s SER 129 N -0.20 6.58 1.20 6.43 0.15 -1.26 -5.07 113.70 121.53 2k4i s SER 129 Ca 0.57 1.29 -0.12 0.00 0.70 0.00 0.00 55.95 58.39 2k4i s SER 129 Cb -0.56 -2.39 0.18 0.00 -1.71 0.00 0.00 66.02 61.54 2k4i s SER 129 CO 0.61 -0.45 0.50 -0.62 1.20 0.00 0.00 173.24 174.47 2k4i n GLU 130 N -1.33 -2.95 -1.78 5.44 1.02 -1.26 -4.93 120.64 114.85 2k4i n GLU 130 Ca 0.04 -0.82 -0.39 0.00 -0.02 0.00 0.00 57.16 55.97 2k4i n GLU 130 Cb 0.54 -0.93 0.03 0.00 -0.02 0.00 0.00 31.44 31.06 2k4i n GLU 130 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2k4i s LYS 131 N -4.16 3.38 0.00 3.49 2.20 -1.26 -5.03 119.74 118.37 2k4i s LYS 131 Ca 0.36 2.33 0.00 0.00 -0.36 0.00 0.00 55.97 58.29 2k4i s LYS 131 Cb -0.05 -2.44 0.00 0.00 -1.51 0.00 0.00 37.83 33.83 2k4i s LYS 131 CO 0.29 -1.03 0.00 0.41 -0.36 0.00 0.00 175.35 174.66 2k4i n GLY 132 N 0.66 1.18 0.00 5.54 0.00 -1.26 -5.11 105.19 106.19 2k4i n GLY 132 Ca 0.08 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.57 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 5.00 -0.27 2.75 -0.02 0.00 -1.26 -5.02 105.19 106.37 2k4i n GLY 133 Ca 0.00 0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.91 -5.33 0.00 1.61 3.02 -1.26 -5.24 115.26 107.15 2k4i n ASN 134 Ca 0.00 -0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 2k4i n ASN 134 Cb 0.00 -4.40 0.00 0.00 -0.61 0.00 0.00 39.78 34.77 2k4i n ASN 134 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64