#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 5.68 -2.71 4.61 0.00 -1.26 -5.00 120.51 121.83 2k4i n ALA 3 Ca 0.00 -3.70 -0.35 0.00 0.00 0.00 0.00 53.44 49.39 2k4i n ALA 3 Cb 0.00 -1.06 -0.10 0.00 0.00 0.00 0.00 19.45 18.30 2k4i n ALA 3 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k4i s ARG 4 N -3.72 3.08 -0.34 0.00 0.52 -1.26 -5.04 118.95 112.18 2k4i s ARG 4 Ca 0.57 -0.42 -0.27 0.00 -0.52 0.00 0.00 55.73 55.09 2k4i s ARG 4 Cb 0.45 -2.82 -0.05 0.00 0.52 0.00 0.00 34.95 33.06 2k4i s ARG 4 CO -0.02 0.64 2.18 1.21 0.02 0.00 0.00 175.30 179.34 2k4i s ASN 5 N -0.72 5.22 0.32 0.23 2.47 -1.26 -4.71 114.94 116.49 2k4i s ASN 5 Ca 0.11 1.46 0.00 0.00 0.42 0.00 0.00 52.86 54.85 2k4i s ASN 5 Cb -0.12 -2.51 0.00 0.00 -1.45 0.00 0.00 41.25 37.17 2k4i s ASN 5 CO 0.02 -2.21 0.00 -1.20 -3.72 0.00 0.00 177.10 169.99 2k4i n SER 6 N 12.74 -7.20 -0.02 -4.21 7.64 -1.26 -4.84 113.62 116.47 2k4i n SER 6 Ca 0.30 1.25 -0.03 0.00 1.01 0.00 0.00 58.87 61.39 2k4i n SER 6 Cb 0.49 -3.51 -0.02 0.00 -1.01 0.00 0.00 64.21 60.16 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 -3.65 0.27 -2.07 0.44 0.31 -1.26 -5.06 118.33 107.31 2k4i n VAL 7 Ca 0.01 -0.10 -0.28 0.00 -0.01 0.00 0.00 64.34 63.95 2k4i n VAL 7 Cb 0.53 -0.74 0.16 0.00 -0.91 0.00 0.00 33.84 32.88 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 -5.36 2.76 1.15 7.52 1.43 -1.26 -5.07 118.68 119.85 2k4i s LEU 8 Ca -0.06 0.18 -0.17 0.00 -1.03 0.00 0.00 54.13 53.05 2k4i s LEU 8 Cb 0.02 -2.32 0.26 0.00 0.03 0.00 0.00 46.19 44.18 2k4i s LEU 8 CO 0.11 -2.48 1.09 -0.13 0.23 0.00 0.00 176.35 175.16 2k4i s ARG 9 N -5.71 -0.81 -0.03 1.70 0.52 -1.26 -4.78 118.95 108.58 2k4i s ARG 9 Ca 0.71 0.19 -0.21 0.00 -0.52 0.00 0.00 55.73 55.90 2k4i s ARG 9 Cb -0.05 -1.62 -0.14 0.00 0.52 0.00 0.00 34.95 33.66 2k4i s ARG 9 CO 0.51 -3.49 0.91 0.78 0.02 0.00 0.00 175.30 174.03 2k4i h GLY 10 N -2.43 -0.39 0.22 -3.53 0.00 -1.92 -0.17 103.07 94.85 2k4i h GLY 10 Ca -0.49 0.14 0.19 0.00 0.00 0.00 0.00 47.33 47.17 2k4i h GLY 10 CO 0.43 -0.14 0.61 0.07 0.00 0.00 0.00 176.54 177.51 2k4i h LYS 11 N -0.92 0.62 -0.04 4.80 2.10 -1.97 -0.56 116.57 120.60 2k4i h LYS 11 Ca -0.04 -0.04 -0.22 0.00 -2.00 0.00 0.00 60.65 58.36 2k4i h LYS 11 Cb 0.50 -0.14 0.02 0.00 -0.90 0.00 0.00 32.23 31.71 2k4i h LYS 11 CO 0.06 0.41 -0.82 0.87 -2.00 0.00 0.00 179.45 177.97 2k4i h LYS 12 N 0.64 0.63 -0.93 0.07 1.57 -1.94 -3.24 116.57 113.37 2k4i h LYS 12 Ca 0.53 -0.62 0.16 0.00 -1.87 0.00 0.00 60.65 58.84 2k4i h LYS 12 Cb 0.99 0.16 -0.08 0.00 0.08 0.00 0.00 32.23 33.38 2k4i h LYS 12 CO -0.29 1.23 0.59 0.00 -0.57 0.00 0.00 179.45 180.41 2k4i h ALA 13 N 0.41 1.82 -0.12 3.86 0.00 0.55 0.26 119.26 126.04 2k4i h ALA 13 Ca -0.09 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.88 2k4i h ALA 13 Cb 1.48 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 2k4i h ALA 13 CO 0.16 -0.09 0.20 0.22 0.00 0.00 0.00 179.25 179.75 2k4i h ASP 14 N 0.70 0.00 0.03 0.00 3.58 -1.39 0.25 116.42 119.60 2k4i h ASP 14 Ca 0.48 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 57.59 2k4i h ASP 14 Cb 0.78 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.79 2k4i h ASP 14 CO -0.24 0.00 -1.87 -0.62 -2.88 0.00 0.00 179.24 173.63 2k4i n GLU 15 N -3.47 0.63 -0.05 0.28 -0.58 0.83 -3.81 120.64 114.48 2k4i n GLU 15 Ca 0.00 0.38 -0.11 0.00 -0.42 0.00 0.00 57.16 57.01 2k4i n GLU 15 Cb 0.30 -1.66 -0.04 0.00 -0.57 0.00 0.00 31.44 29.47 2k4i n GLU 15 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2k4i h LEU 16 N -0.60 0.25 -1.39 -4.62 7.12 -0.81 -1.27 115.31 114.00 2k4i h LEU 16 Ca -0.47 -0.12 0.00 0.00 0.13 0.00 0.00 57.88 57.42 2k4i h LEU 16 Cb 1.64 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 41.70 2k4i h LEU 16 CO -0.16 0.29 0.00 -0.33 -0.13 0.00 0.00 178.44 178.11 2k4i h GLU 17 N 0.18 0.00 0.09 1.25 5.08 -0.73 -2.63 114.58 117.82 2k4i h GLU 17 Ca 0.07 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.17 2k4i h GLU 17 Cb 0.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2k4i h GLU 17 CO -0.01 0.00 -1.31 0.00 -1.00 0.00 0.00 179.01 176.69 2k4i h ARG 18 N 0.00 0.20 -6.48 2.33 2.47 -1.42 -3.43 114.38 108.04 2k4i h ARG 18 Ca 0.00 -0.33 -0.61 0.00 -1.26 0.00 0.00 59.98 57.78 2k4i h ARG 18 Cb 0.16 0.12 0.07 0.00 -1.65 0.00 0.00 29.97 28.68 2k4i h ARG 18 CO 0.00 1.16 0.62 -0.89 0.56 0.00 0.00 179.97 181.42 2k4i n ILE 19 N -4.02 0.45 -4.19 2.04 5.41 -0.56 -4.88 119.36 113.60 2k4i n ILE 19 Ca -0.25 -0.11 -0.30 0.00 1.00 0.00 0.00 62.75 63.09 2k4i n ILE 19 Cb 0.85 -1.32 -0.09 0.00 -0.71 0.00 0.00 39.64 38.36 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 2.36 0.62 0.38 0.52 -0.90 -1.80 118.95 120.34 2k4i s ARG 20 Ca 0.75 -0.91 0.32 0.00 -0.52 0.00 0.00 55.73 55.37 2k4i s ARG 20 Cb -0.73 -2.43 1.83 0.00 0.52 0.00 0.00 34.95 34.13 2k4i s ARG 20 CO 0.45 0.53 2.14 -0.07 0.02 0.00 0.00 175.30 178.37 2k4i h LEU 21 N 3.58 0.00 -8.39 2.53 3.38 -1.32 -1.97 115.31 113.11 2k4i h LEU 21 Ca -0.48 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.29 2k4i h LEU 21 Cb 1.17 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.77 2k4i h LEU 21 CO 0.56 0.00 -0.69 -0.13 0.09 0.00 0.00 178.44 178.27 2k4i s ARG 22 N -4.46 0.77 0.26 1.13 0.52 -1.26 -4.20 118.95 111.72 2k4i s ARG 22 Ca -0.05 -1.29 0.04 0.00 -0.52 0.00 0.00 55.73 53.91 2k4i s ARG 22 Cb 0.14 -0.11 0.34 0.00 0.52 0.00 0.00 34.95 35.84 2k4i s ARG 22 CO 0.48 -0.04 1.64 -1.00 0.02 0.00 0.00 175.30 176.40 2k4i h PRO 23 N 3.05 0.34 -0.10 3.54 0.13 -1.92 -3.21 132.00 133.82 2k4i h PRO 23 Ca -0.35 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2k4i h PRO 23 Cb 1.16 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2k4i h PRO 23 CO 0.64 0.72 0.00 0.41 -0.23 0.00 0.00 178.00 179.55 2k4i n GLY 24 N -0.04 4.02 2.75 1.56 0.00 -1.26 -4.97 105.19 107.25 2k4i n GLY 24 Ca -0.02 -0.78 -0.15 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.78 1.07 0.00 -0.02 0.00 -1.21 -5.04 105.19 99.21 2k4i n GLY 25 Ca 0.13 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 44.09 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 -2.18 5.67 -2.31 1.61 4.81 -1.26 -4.88 118.16 119.62 2k4i n LYS 26 Ca 0.12 -0.08 -0.42 0.00 -0.87 0.00 0.00 58.31 57.05 2k4i n LYS 26 Cb 0.42 -0.58 -0.03 0.00 0.02 0.00 0.00 35.03 34.86 2k4i n LYS 26 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2k4i s LYS 27 N -0.83 4.30 0.05 1.64 2.20 -1.26 -4.99 119.74 120.84 2k4i s LYS 27 Ca 0.00 1.86 0.03 0.00 -0.36 0.00 0.00 55.97 57.49 2k4i s LYS 27 Cb 0.00 -3.60 -0.04 0.00 -1.51 0.00 0.00 37.83 32.68 2k4i s LYS 27 CO 0.00 -0.56 0.03 0.15 -0.36 0.00 0.00 175.35 174.62 2k4i s LYS 28 N 2.49 2.77 0.45 4.03 1.02 -1.26 -0.83 119.74 128.41 2k4i s LYS 28 Ca 0.61 -0.69 -0.25 0.00 0.02 0.00 0.00 55.97 55.66 2k4i s LYS 28 Cb -0.29 -2.67 -0.08 0.00 -0.52 0.00 0.00 37.83 34.28 2k4i s LYS 28 CO 0.24 0.58 1.34 0.71 -0.92 0.00 0.00 175.35 177.30 2k4i s TYR 29 N -1.26 2.62 0.26 3.18 2.02 -0.74 -4.86 117.35 118.56 2k4i s TYR 29 Ca 0.25 1.37 -0.12 0.00 -0.37 0.00 0.00 57.07 58.20 2k4i s TYR 29 Cb -0.12 -3.74 -0.00 0.00 -0.40 0.00 0.00 41.96 37.70 2k4i s TYR 29 CO 0.17 -2.43 0.49 0.50 -1.57 0.00 0.00 175.55 172.71 2k4i s ARG 30 N -2.46 1.60 0.41 -0.62 3.52 -1.26 -4.48 118.95 115.65 2k4i s ARG 30 Ca 0.61 -1.29 0.19 0.00 -0.13 0.00 0.00 55.73 55.11 2k4i s ARG 30 Cb -0.39 0.48 1.11 0.00 -1.56 0.00 0.00 34.95 34.58 2k4i s ARG 30 CO 0.49 -0.67 1.80 -0.07 -0.81 0.00 0.00 175.30 176.05 2k4i h LEU 31 N 2.23 0.42 -0.98 -0.88 4.07 -2.00 0.15 115.31 118.32 2k4i h LEU 31 Ca -0.26 0.07 0.17 0.00 0.08 0.00 0.00 57.88 57.93 2k4i h LEU 31 Cb 1.25 -0.01 -0.10 0.00 1.08 0.00 0.00 40.66 42.88 2k4i h LEU 31 CO 0.35 0.11 0.59 0.50 -1.08 0.00 0.00 178.44 178.92 2k4i h LYS 32 N 0.39 0.77 0.00 1.13 3.64 -1.99 0.15 116.57 120.66 2k4i h LYS 32 Ca 0.55 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.79 2k4i h LYS 32 Cb 1.41 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 33.05 2k4i h LYS 32 CO -0.25 0.51 -0.48 0.45 -2.27 0.00 0.00 179.45 177.41 2k4i h HIS 33 N 0.79 0.00 -0.20 1.91 3.86 -1.11 -2.84 115.15 117.56 2k4i h HIS 33 Ca 0.55 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.57 2k4i h HIS 33 Cb 0.78 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.25 2k4i h HIS 33 CO -0.02 0.48 -0.61 0.82 0.86 0.00 0.00 177.93 179.46 2k4i h ILE 34 N 0.00 1.30 -0.48 2.45 2.04 -0.67 -2.40 117.51 119.76 2k4i h ILE 34 Ca -0.00 -1.85 -0.09 0.00 1.00 0.00 0.00 64.86 63.92 2k4i h ILE 34 Cb 0.93 1.80 -0.02 0.00 -0.74 0.00 0.00 36.82 38.80 2k4i h ILE 34 CO 0.06 0.58 -0.04 0.58 0.00 0.00 0.00 178.15 179.33 2k4i h VAL 35 N 0.52 1.27 0.00 1.67 2.07 -1.30 -1.57 116.25 118.90 2k4i h VAL 35 Ca -0.01 -1.14 -0.05 0.00 0.82 0.00 0.00 66.70 66.32 2k4i h VAL 35 Cb 1.20 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 2k4i h VAL 35 CO 0.12 0.39 -0.26 -0.25 0.02 0.00 0.00 177.57 177.60 2k4i h TRP 36 N 0.72 0.00 0.09 1.57 7.01 -1.51 -1.74 115.95 122.08 2k4i h TRP 36 Ca 0.13 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.13 2k4i h TRP 36 Cb 0.57 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.63 2k4i h TRP 36 CO 0.04 0.26 -0.04 0.00 -2.79 0.00 0.00 178.44 175.91 2k4i h ALA 37 N 1.74 -0.11 -0.71 2.65 0.00 -1.12 -3.21 119.26 118.49 2k4i h ALA 37 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2k4i h ALA 37 Cb 0.69 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 2k4i h ALA 37 CO 0.03 -0.16 0.45 0.00 0.00 0.00 0.00 179.25 179.58 2k4i h ALA 38 N -0.39 0.90 -0.93 0.00 0.00 -1.31 -2.18 119.26 115.35 2k4i h ALA 38 Ca -0.01 -0.07 0.19 0.00 0.00 0.00 0.00 54.91 55.02 2k4i h ALA 38 Cb 0.53 -0.29 -0.08 0.00 0.00 0.00 0.00 17.79 17.95 2k4i h ALA 38 CO 0.02 0.35 0.60 -0.91 0.00 0.00 0.00 179.25 179.31 2k4i h ASN 39 N 0.97 0.56 0.04 0.00 4.21 -1.44 0.13 115.58 120.05 2k4i h ASN 39 Ca 0.26 0.05 -0.15 0.00 1.21 0.00 0.00 56.30 57.67 2k4i h ASN 39 Cb -0.07 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 37.07 2k4i h ASN 39 CO -0.05 0.23 -0.52 0.11 -1.29 0.00 0.00 177.43 175.91 2k4i h LYS 40 N 0.56 0.53 0.64 0.81 6.56 -1.40 -2.98 116.57 121.30 2k4i h LYS 40 Ca 0.49 -0.32 -0.03 0.00 -1.06 0.00 0.00 60.65 59.73 2k4i h LYS 40 Cb 1.00 0.03 0.01 0.00 -0.57 0.00 0.00 32.23 32.70 2k4i h LYS 40 CO -0.23 0.92 -0.31 -0.07 -2.06 0.00 0.00 179.45 177.70 2k4i h LEU 41 N 0.41 -0.73 -0.56 2.94 3.38 -0.53 0.25 115.31 120.47 2k4i h LEU 41 Ca 0.01 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.10 2k4i h LEU 41 Cb 1.06 0.19 -0.10 0.00 0.09 0.00 0.00 40.66 41.90 2k4i h LEU 41 CO 0.10 -0.47 -0.04 0.44 0.09 0.00 0.00 178.44 178.56 2k4i h ASP 42 N -0.95 -0.31 0.63 -0.43 5.19 -0.66 0.45 116.42 120.34 2k4i h ASP 42 Ca -0.09 0.14 -0.03 0.00 -0.62 0.00 0.00 57.03 56.43 2k4i h ASP 42 Cb 0.69 0.27 0.01 0.00 0.18 0.00 0.00 39.33 40.47 2k4i h ASP 42 CO 0.15 -0.12 -0.30 -0.09 -3.12 0.00 0.00 179.24 175.76 2k4i h ARG 43 N 0.08 -0.81 -0.72 3.56 9.65 -1.43 -3.15 114.38 121.57 2k4i h ARG 43 Ca 0.28 0.06 0.16 0.00 -1.10 0.00 0.00 59.98 59.37 2k4i h ARG 43 Cb 0.44 0.18 -0.11 0.00 -1.39 0.00 0.00 29.97 29.09 2k4i h ARG 43 CO -0.50 -0.49 0.13 0.74 2.80 0.00 0.00 179.97 182.65 2k4i h PHE 44 N -1.04 0.19 0.00 2.20 0.04 -0.11 -3.45 116.94 114.77 2k4i h PHE 44 Ca -0.09 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.73 2k4i h PHE 44 Cb 0.69 0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.87 2k4i h PHE 44 CO -0.00 -0.12 0.00 0.41 -0.60 0.00 0.00 178.31 178.00 2k4i n GLY 45 N -1.36 0.31 3.94 -1.45 0.00 0.82 -5.08 105.19 102.38 2k4i n GLY 45 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 2k4i n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k4i s LEU 46 N 0.00 3.50 0.17 0.99 1.43 0.12 -4.92 118.68 119.98 2k4i s LEU 46 Ca 0.00 0.37 0.00 0.00 -1.03 0.00 0.00 54.13 53.48 2k4i s LEU 46 Cb 0.00 -3.24 -0.04 0.00 0.03 0.00 0.00 46.19 42.94 2k4i s LEU 46 CO 0.00 -0.84 0.34 0.00 0.23 0.00 0.00 176.35 176.08 2k4i s ALA 47 N -2.69 3.89 -0.19 4.21 0.00 -1.26 -1.74 121.76 123.99 2k4i s ALA 47 Ca 0.51 -0.88 0.16 0.00 0.00 0.00 0.00 51.96 51.74 2k4i s ALA 47 Cb -0.10 -1.91 0.08 0.00 0.00 0.00 0.00 23.12 21.18 2k4i s ALA 47 CO 0.40 0.52 1.41 1.05 0.00 0.00 0.00 175.76 179.14 2k4i h GLU 48 N 2.21 0.00 0.00 0.00 4.11 -1.93 -3.22 114.58 115.76 2k4i h GLU 48 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 2k4i h GLU 48 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2k4i h GLU 48 CO 0.69 0.43 0.00 0.77 0.07 0.00 0.00 179.01 180.97 2k4i h SER 49 N 0.00 0.00 0.76 3.06 0.02 -1.99 -0.37 113.55 115.03 2k4i h SER 49 Ca -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2k4i h SER 49 Cb 1.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.89 2k4i h SER 49 CO 0.06 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.93 2k4i n LEU 50 N -2.80 0.69 0.00 5.07 4.77 -1.21 -1.97 117.00 121.54 2k4i n LEU 50 Ca -0.02 0.67 0.15 0.00 -0.03 0.00 0.00 56.01 56.77 2k4i n LEU 50 Cb 0.09 -0.57 0.75 0.00 -2.33 0.00 0.00 43.42 41.36 2k4i n LEU 50 CO 0.18 -0.56 1.02 0.18 -1.33 0.00 0.00 177.39 176.88 2k4i n LEU 51 N -2.26 0.00 -1.79 2.23 4.77 -0.15 -2.86 117.00 116.94 2k4i n LEU 51 Ca 0.02 0.30 -0.08 0.00 -0.03 0.00 0.00 56.01 56.22 2k4i n LEU 51 Cb 0.24 -0.30 0.26 0.00 -2.33 0.00 0.00 43.42 41.29 2k4i n LEU 51 CO 0.20 -0.00 1.00 -0.62 -1.33 0.00 0.00 177.39 176.64 2k4i n GLU 52 N -1.30 3.04 -3.65 3.23 1.02 -0.83 -4.88 120.64 117.26 2k4i n GLU 52 Ca 0.14 -3.07 -0.05 0.00 -0.02 0.00 0.00 57.16 54.16 2k4i n GLU 52 Cb 0.25 -2.11 -0.06 0.00 -0.02 0.00 0.00 31.44 29.50 2k4i n GLU 52 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2k4i s SER 53 N -1.44 -0.92 0.34 1.62 1.04 -1.19 -5.03 113.70 108.12 2k4i s SER 53 Ca 0.52 1.43 0.04 0.00 0.48 0.00 0.00 55.95 58.43 2k4i s SER 53 Cb 0.43 1.78 0.68 0.00 0.10 0.00 0.00 66.02 69.02 2k4i s SER 53 CO 0.10 -0.23 1.94 0.07 0.98 0.00 0.00 173.24 176.11 2k4i h LYS 54 N 7.66 0.81 -0.59 4.02 2.10 -1.90 -0.12 116.57 128.55 2k4i h LYS 54 Ca -0.23 -0.05 -0.10 0.00 -2.00 0.00 0.00 60.65 58.27 2k4i h LYS 54 Cb 1.15 -0.18 -0.02 0.00 -0.90 0.00 0.00 32.23 32.27 2k4i h LYS 54 CO 0.14 0.53 -0.04 0.93 -2.00 0.00 0.00 179.45 179.01 2k4i h GLU 55 N 0.83 1.07 -0.29 0.07 3.07 -1.96 -2.87 114.58 114.50 2k4i h GLU 55 Ca 0.34 -0.36 -0.18 0.00 -0.50 0.00 0.00 59.36 58.67 2k4i h GLU 55 Cb 0.26 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 2k4i h GLU 55 CO -0.12 1.06 -0.51 0.78 -1.40 0.00 0.00 179.01 178.82 2k4i h GLY 56 N 0.97 0.94 1.80 -3.84 0.00 -1.50 -3.06 103.07 98.38 2k4i h GLY 56 Ca 0.16 -1.08 0.03 0.00 0.00 0.00 0.00 47.33 46.44 2k4i h GLY 56 CO 0.04 0.97 0.08 0.00 0.00 0.00 0.00 176.54 177.63 2k4i h GLN 58 N 0.03 0.00 0.00 0.00 -0.00 -1.40 -2.70 115.11 111.04 2k4i h GLN 58 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.70 2k4i h GLN 58 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.65 2k4i h GLN 58 CO -0.00 0.50 0.00 1.17 0.00 0.00 0.00 178.83 180.50 2k4i n LYS 59 N -3.67 0.19 0.02 1.69 3.00 -0.18 -2.94 118.16 116.26 2k4i n LYS 59 Ca -0.01 0.33 -0.22 0.00 -0.00 0.00 0.00 58.31 58.42 2k4i n LYS 59 Cb 0.57 -1.80 -0.14 0.00 0.00 0.00 0.00 35.03 33.65 2k4i n LYS 59 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 2k4i h ILE 60 N 0.00 0.70 0.00 3.15 2.04 -1.41 -3.35 117.51 118.64 2k4i h ILE 60 Ca 0.00 -2.37 -0.04 0.00 1.00 0.00 0.00 64.86 63.45 2k4i h ILE 60 Cb 0.46 2.56 -0.01 0.00 -0.74 0.00 0.00 36.82 39.10 2k4i h ILE 60 CO 0.00 0.88 -0.18 -0.07 0.00 0.00 0.00 178.15 178.78 2k4i h LEU 61 N 0.05 0.00 -1.09 1.44 3.38 -1.47 -0.25 115.31 117.37 2k4i h LEU 61 Ca -0.40 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.47 2k4i h LEU 61 Cb 2.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.77 2k4i h LEU 61 CO 0.10 0.18 -0.43 0.00 0.09 0.00 0.00 178.44 178.39 2k4i h THR 62 N 0.00 1.31 0.04 0.22 1.03 -1.67 0.28 112.91 114.12 2k4i h THR 62 Ca -0.00 -1.49 -0.32 0.00 -0.01 0.00 0.00 66.41 64.59 2k4i h THR 62 Cb 0.38 1.77 -0.04 0.00 -1.07 0.00 0.00 68.15 69.19 2k4i h THR 62 CO 0.02 0.43 -1.81 0.52 -0.01 0.00 0.00 175.52 174.67 2k4i n VAL 63 N -4.03 1.65 0.14 0.00 0.31 -0.82 -4.08 118.33 111.50 2k4i n VAL 63 Ca -0.02 -0.76 0.03 0.00 -0.01 0.00 0.00 64.34 63.59 2k4i n VAL 63 Cb 0.46 -1.22 0.03 0.00 -0.91 0.00 0.00 33.84 32.20 2k4i n VAL 63 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2k4i h LEU 64 N 0.02 0.00 0.54 7.52 3.38 -1.01 -3.18 115.31 122.58 2k4i h LEU 64 Ca -0.33 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 2k4i h LEU 64 Cb 2.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.76 2k4i h LEU 64 CO 0.08 0.47 -0.46 -0.78 0.09 0.00 0.00 178.44 177.84 2k4i h ASP 65 N 0.00 -1.23 0.70 -0.43 3.58 -0.59 -1.37 116.42 117.09 2k4i h ASP 65 Ca -0.01 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.53 2k4i h ASP 65 Cb 1.37 0.39 0.00 0.00 1.72 0.00 0.00 39.33 42.81 2k4i h ASP 65 CO 0.06 -0.63 0.00 -0.81 -2.88 0.00 0.00 179.24 174.98 2k4i n PRO 66 N -5.24 0.18 0.12 0.28 -0.04 -1.26 -2.13 135.00 126.91 2k4i n PRO 66 Ca -0.12 0.41 0.12 0.00 -0.04 0.00 0.00 63.50 63.88 2k4i n PRO 66 Cb 0.43 -1.84 0.21 0.00 -0.04 0.00 0.00 33.50 32.26 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 0.71 0.54 2.86 -1.40 -3.33 114.93 114.31 2k4i h MET 67 Ca 0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 2k4i h MET 67 Cb 0.35 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.02 2k4i h MET 67 CO 0.00 0.00 -0.34 0.28 1.06 0.00 0.00 176.91 177.91 2k4i h VAL 68 N 0.00 0.16 0.00 -2.22 2.07 -0.73 0.28 116.25 115.81 2k4i h VAL 68 Ca 0.00 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.29 2k4i h VAL 68 Cb 0.85 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 2k4i h VAL 68 CO 0.00 0.02 0.00 -0.81 0.02 0.00 0.00 177.57 176.80 2k4i n PRO 69 N -5.44 0.46 -2.77 1.57 -0.04 -1.26 -3.62 135.00 123.91 2k4i n PRO 69 Ca -0.13 0.01 -0.10 0.00 -0.04 0.00 0.00 63.50 63.25 2k4i n PRO 69 Cb 0.39 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.02 -0.02 -3.84 0.52 -1.04 -1.08 -5.15 114.28 102.65 2k4i n THR 70 Ca 0.11 -1.75 -0.09 0.00 -2.04 0.00 0.00 64.05 60.28 2k4i n THR 70 Cb 0.06 1.32 0.02 0.00 -1.82 0.00 0.00 70.33 69.91 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 -1.43 0.51 0.84 3.41 0.00 0.97 -4.69 107.32 106.93 2k4i s GLY 71 Ca 0.26 -0.85 -0.12 0.00 0.00 0.00 0.00 44.72 44.01 2k4i s GLY 71 CO -0.09 -0.39 1.13 -1.35 0.00 0.00 0.00 173.10 172.39 2k4i s SER 72 N -3.09 4.18 0.10 1.64 1.04 -1.26 -4.95 113.70 111.35 2k4i s SER 72 Ca 0.17 1.04 -0.15 0.00 0.48 0.00 0.00 55.95 57.49 2k4i s SER 72 Cb -0.05 -1.66 -0.08 0.00 0.10 0.00 0.00 66.02 64.33 2k4i s SER 72 CO 0.13 -2.14 1.43 -0.33 0.98 0.00 0.00 173.24 173.31 2k4i h GLU 73 N -1.21 0.69 -0.04 4.02 5.08 -1.97 -2.80 114.58 118.35 2k4i h GLU 73 Ca -0.48 -0.35 0.01 0.00 -1.00 0.00 0.00 59.36 57.54 2k4i h GLU 73 Cb 1.31 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.56 2k4i h GLU 73 CO 0.62 0.96 0.10 -0.91 -1.00 0.00 0.00 179.01 178.79 2k4i h ASN 74 N 0.43 0.00 0.10 1.42 2.35 -2.01 -1.82 115.58 116.05 2k4i h ASN 74 Ca 0.05 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.66 2k4i h ASN 74 Cb 0.82 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.21 2k4i h ASN 74 CO 0.07 0.00 -0.62 0.25 -1.65 0.00 0.00 177.43 175.48 2k4i h LEU 75 N 0.00 0.32 -1.30 1.61 6.46 -1.88 -3.29 115.31 117.22 2k4i h LEU 75 Ca 0.02 -0.95 0.13 0.00 -0.12 0.00 0.00 57.88 56.95 2k4i h LEU 75 Cb 0.22 -0.10 -0.07 0.00 -0.73 0.00 0.00 40.66 39.98 2k4i h LEU 75 CO -0.00 1.29 0.56 0.50 -0.62 0.00 0.00 178.44 180.17 2k4i h LYS 76 N -0.57 0.69 -0.47 1.25 3.64 -1.18 -1.20 116.57 118.75 2k4i h LYS 76 Ca -0.11 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 2k4i h LYS 76 Cb 1.46 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 33.10 2k4i h LYS 76 CO 0.09 0.46 0.31 0.77 -2.27 0.00 0.00 179.45 178.81 2k4i h SER 77 N 0.72 0.54 -0.70 4.20 0.02 -1.58 -2.48 113.55 114.27 2k4i h SER 77 Ca 0.42 -0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 61.28 2k4i h SER 77 Cb 0.62 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.00 2k4i h SER 77 CO -0.18 0.40 0.14 0.25 -1.14 0.00 0.00 176.83 176.30 2k4i h LEU 78 N 0.63 1.08 -0.60 5.07 5.85 -1.32 -2.24 115.31 123.77 2k4i h LEU 78 Ca 0.17 -0.25 0.08 0.00 0.84 0.00 0.00 57.88 58.72 2k4i h LEU 78 Cb -0.07 -0.29 -0.06 0.00 0.37 0.00 0.00 40.66 40.61 2k4i h LEU 78 CO -0.04 1.05 0.26 0.15 -0.34 0.00 0.00 178.44 179.53 2k4i h PHE 79 N 1.07 0.47 -0.04 1.25 3.57 -0.96 0.30 116.94 122.59 2k4i h PHE 79 Ca 0.22 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.64 2k4i h PHE 79 Cb 0.41 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 2k4i h PHE 79 CO 0.03 0.16 -0.47 -0.91 -2.23 0.00 0.00 178.31 174.90 2k4i h ASN 80 N 0.48 0.11 0.10 0.41 4.21 -1.26 -3.02 115.58 116.60 2k4i h ASN 80 Ca 0.29 -0.05 -0.20 0.00 1.21 0.00 0.00 56.30 57.55 2k4i h ASN 80 Cb 0.31 -0.03 0.00 0.00 -1.12 0.00 0.00 38.32 37.48 2k4i h ASN 80 CO -0.26 0.56 -0.77 0.74 -1.29 0.00 0.00 177.43 176.42 2k4i h THR 81 N 0.08 1.34 0.41 2.81 2.02 -0.56 -3.27 112.91 115.74 2k4i h THR 81 Ca 0.00 -2.09 -0.01 0.00 0.77 0.00 0.00 66.41 65.08 2k4i h THR 81 Cb 0.86 2.08 -0.02 0.00 -1.74 0.00 0.00 68.15 69.33 2k4i h THR 81 CO 0.07 0.64 -0.39 0.58 0.37 0.00 0.00 175.52 176.79 2k4i h VAL 82 N 0.38 0.21 -1.07 3.16 2.07 -0.34 -2.03 116.25 118.63 2k4i h VAL 82 Ca -0.04 0.00 0.30 0.00 0.82 0.00 0.00 66.70 67.77 2k4i h VAL 82 Cb 1.37 0.21 -0.12 0.00 -1.52 0.00 0.00 31.29 31.23 2k4i h VAL 82 CO 0.14 0.00 0.66 0.00 0.02 0.00 0.00 177.57 178.39 2k4i h VAL 84 N 0.38 1.18 -0.03 0.00 2.07 -1.43 -1.41 116.25 117.00 2k4i h VAL 84 Ca 0.67 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.70 2k4i h VAL 84 Cb 1.64 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 32.00 2k4i h VAL 84 CO -0.42 0.20 -0.00 0.40 0.02 0.00 0.00 177.57 177.77 2k4i h ILE 85 N 0.66 1.26 -0.83 4.57 1.08 -0.10 -2.76 117.51 121.39 2k4i h ILE 85 Ca 0.17 -0.79 0.11 0.00 -0.39 0.00 0.00 64.86 63.96 2k4i h ILE 85 Cb 0.08 1.73 -0.08 0.00 -3.07 0.00 0.00 36.82 35.49 2k4i h ILE 85 CO -0.03 0.21 0.46 -0.25 -0.69 0.00 0.00 178.15 177.86 2k4i h TRP 86 N -0.26 0.83 0.27 1.37 7.01 -1.12 -2.28 115.95 121.77 2k4i h TRP 86 Ca 0.01 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.04 2k4i h TRP 86 Cb 0.34 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 27.14 2k4i h TRP 86 CO 0.04 0.30 -0.22 0.00 -2.79 0.00 0.00 178.44 175.77 2k4i h ILE 88 N -0.50 0.66 0.07 0.00 2.04 -1.13 0.62 117.51 119.27 2k4i h ILE 88 Ca -0.02 -0.23 -0.25 0.00 1.00 0.00 0.00 64.86 65.37 2k4i h ILE 88 Cb 0.44 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 2k4i h ILE 88 CO -0.02 0.12 -1.09 0.45 0.00 0.00 0.00 178.15 177.61 2k4i h HIS 89 N 0.67 0.51 -0.03 1.37 3.86 -0.94 -3.15 115.15 117.45 2k4i h HIS 89 Ca 0.59 -0.33 0.00 0.00 -1.16 0.00 0.00 60.37 59.47 2k4i h HIS 89 Cb 1.04 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.47 2k4i h HIS 89 CO -0.00 1.20 0.00 0.00 0.86 0.00 0.00 177.93 179.99 2k4i n ALA 90 N -2.53 2.59 -2.72 2.45 0.00 0.95 -4.90 120.51 116.35 2k4i n ALA 90 Ca -0.07 -0.19 -0.10 0.00 0.00 0.00 0.00 53.44 53.08 2k4i n ALA 90 Cb 0.93 -1.26 0.05 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 -0.58 -2.44 -4.63 0.00 2.13 0.01 -5.03 120.64 110.10 2k4i n GLU 91 Ca 0.14 0.55 -0.31 0.00 0.66 0.00 0.00 57.16 58.20 2k4i n GLU 91 Cb 0.11 -4.40 -0.17 0.00 0.27 0.00 0.00 31.44 27.26 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 -4.24 2.69 -0.18 5.31 0.41 -0.22 -5.02 118.70 117.45 2k4i s GLU 92 Ca 0.19 -0.74 -0.14 0.00 -0.41 0.00 0.00 54.97 53.87 2k4i s GLU 92 Cb -0.02 -2.20 -0.04 0.00 -1.78 0.00 0.00 34.13 30.08 2k4i s GLU 92 CO 0.47 -0.02 0.30 0.15 -0.49 0.00 0.00 175.26 175.67 2k4i s LYS 93 N 0.84 4.21 0.03 1.61 1.02 -1.26 -4.31 119.74 121.88 2k4i s LYS 93 Ca -0.08 0.08 0.00 0.00 0.02 0.00 0.00 55.97 55.99 2k4i s LYS 93 Cb -0.15 -3.47 -0.02 0.00 -0.52 0.00 0.00 37.83 33.66 2k4i s LYS 93 CO -0.01 0.14 -0.04 0.14 -0.92 0.00 0.00 175.35 174.66 2k4i s VAL 94 N 0.78 0.22 0.01 3.17 -7.23 -1.26 -4.98 120.40 111.10 2k4i s VAL 94 Ca 0.16 -1.06 -0.08 0.00 -1.81 0.00 0.00 61.98 59.19 2k4i s VAL 94 Cb -0.13 -0.49 -0.30 0.00 0.56 0.00 0.00 36.38 36.01 2k4i s VAL 94 CO 0.05 -0.54 0.88 0.11 -0.31 0.00 0.00 175.10 175.30 2k4i h LYS 95 N 4.43 0.36 0.00 4.82 1.57 -1.95 -3.41 116.57 122.38 2k4i h LYS 95 Ca -0.33 -0.61 -0.46 0.00 -1.87 0.00 0.00 60.65 57.38 2k4i h LYS 95 Cb 1.20 0.23 -0.12 0.00 0.08 0.00 0.00 32.23 33.62 2k4i h LYS 95 CO 0.44 1.26 -0.44 -0.40 -0.57 0.00 0.00 179.45 179.74 2k4i n ASP 96 N -3.56 -0.42 -0.09 0.86 5.68 -1.26 -2.12 116.55 115.65 2k4i n ASP 96 Ca -0.17 -3.05 -0.11 0.00 -0.50 0.00 0.00 54.79 50.95 2k4i n ASP 96 Cb 1.06 1.49 -0.04 0.00 -1.14 0.00 0.00 41.12 42.49 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 1.95 1.26 -0.81 2.12 2.02 -1.52 -3.04 112.91 114.90 2k4i h THR 97 Ca -0.23 -0.95 0.14 0.00 0.77 0.00 0.00 66.41 66.14 2k4i h THR 97 Cb 1.12 1.38 -0.09 0.00 -1.74 0.00 0.00 68.15 68.82 2k4i h THR 97 CO 0.34 0.30 0.38 -0.33 0.37 0.00 0.00 175.52 176.58 2k4i h GLU 98 N 0.23 0.54 -0.70 6.66 4.39 -1.87 -0.92 114.58 122.91 2k4i h GLU 98 Ca 0.07 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.77 2k4i h GLU 98 Cb 0.45 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.93 2k4i h GLU 98 CO 0.02 0.36 0.44 0.78 -1.16 0.00 0.00 179.01 179.45 2k4i h GLY 99 N 0.56 1.00 1.34 -3.84 0.00 -1.95 -2.20 103.07 97.98 2k4i h GLY 99 Ca 0.44 -0.34 -0.06 0.00 0.00 0.00 0.00 47.33 47.37 2k4i h GLY 99 CO -0.37 0.29 0.07 0.00 0.00 0.00 0.00 176.54 176.53 2k4i h ALA 100 N 1.29 1.16 -0.87 3.60 0.00 -1.13 -2.63 119.26 120.69 2k4i h ALA 100 Ca 0.28 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2k4i h ALA 100 Cb 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 2k4i h ALA 100 CO -0.10 0.56 0.53 -0.22 0.00 0.00 0.00 179.25 180.01 2k4i h LYS 101 N 0.78 1.18 -0.44 0.00 3.64 -0.74 -1.49 116.57 119.49 2k4i h LYS 101 Ca 0.16 -0.10 -0.05 0.00 -1.27 0.00 0.00 60.65 59.39 2k4i h LYS 101 Cb 0.36 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 2k4i h LYS 101 CO 0.01 0.82 0.08 1.96 -2.27 0.00 0.00 179.45 180.04 2k4i h GLN 102 N 1.19 0.73 0.12 1.90 4.20 -1.16 -1.94 115.11 120.15 2k4i h GLN 102 Ca 0.31 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 2k4i h GLN 102 Cb -0.06 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.64 2k4i h GLN 102 CO -0.06 0.76 -0.06 0.82 -0.67 0.00 0.00 178.83 179.62 2k4i h ILE 103 N 0.60 0.90 -0.39 2.54 2.04 -1.13 -1.38 117.51 120.68 2k4i h ILE 103 Ca 0.14 -0.04 0.05 0.00 1.00 0.00 0.00 64.86 66.00 2k4i h ILE 103 Cb 0.37 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 2k4i h ILE 103 CO 0.01 0.01 0.14 0.58 0.00 0.00 0.00 178.15 178.88 2k4i h VAL 104 N -0.18 0.88 0.26 1.67 2.07 -1.24 -1.25 116.25 118.45 2k4i h VAL 104 Ca -0.02 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.41 2k4i h VAL 104 Cb 0.14 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 2k4i h VAL 104 CO 0.03 0.05 -0.27 -0.09 0.02 0.00 0.00 177.57 177.31 2k4i h ARG 105 N 0.29 -0.55 -1.00 1.57 1.12 -1.19 -1.96 114.38 112.67 2k4i h ARG 105 Ca 0.18 0.04 0.15 0.00 -1.11 0.00 0.00 59.98 59.24 2k4i h ARG 105 Cb 0.17 0.12 -0.09 0.00 -0.01 0.00 0.00 29.97 30.16 2k4i h ARG 105 CO -0.19 -0.37 0.62 -0.09 -3.11 0.00 0.00 179.97 176.84 2k4i h ARG 106 N -0.57 0.87 0.00 0.20 2.43 -1.00 0.17 114.38 116.47 2k4i h ARG 106 Ca -0.00 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 2k4i h ARG 106 Cb 0.53 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.88 2k4i h ARG 106 CO -0.07 0.58 -0.16 0.45 -1.51 0.00 0.00 179.97 179.26 2k4i h HIS 107 N 0.90 0.00 0.14 2.20 3.86 -0.64 -2.45 115.15 119.16 2k4i h HIS 107 Ca 0.52 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 59.45 2k4i h HIS 107 Cb 0.65 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.13 2k4i h HIS 107 CO -0.00 0.16 -1.29 -0.07 0.86 0.00 0.00 177.93 177.59 2k4i h LEU 108 N 0.00 0.47 -1.08 2.43 3.38 0.04 -3.21 115.31 117.33 2k4i h LEU 108 Ca -0.00 -0.51 -0.09 0.00 0.09 0.00 0.00 57.88 57.37 2k4i h LEU 108 Cb 0.43 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2k4i h LEU 108 CO 0.02 1.40 -0.43 0.58 0.09 0.00 0.00 178.44 180.11 2k4i h VAL 109 N 0.08 1.17 -0.34 1.22 2.07 -1.15 -2.76 116.25 116.55 2k4i h VAL 109 Ca -0.15 -1.53 -0.17 0.00 0.82 0.00 0.00 66.70 65.67 2k4i h VAL 109 Cb 2.00 1.86 -0.00 0.00 -1.52 0.00 0.00 31.29 33.62 2k4i h VAL 109 CO 0.21 0.42 -0.44 0.00 0.02 0.00 0.00 177.57 177.77 2k4i h ALA 110 N 1.57 0.57 -0.33 1.67 0.00 -1.50 -2.86 119.26 118.38 2k4i h ALA 110 Ca -0.00 -0.48 -0.12 0.00 0.00 0.00 0.00 54.91 54.31 2k4i h ALA 110 Cb 0.82 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2k4i h ALA 110 CO 0.06 0.68 -0.28 0.93 0.00 0.00 0.00 179.25 180.63 2k4i h GLU 111 N 0.70 0.69 0.00 0.00 5.08 -1.53 -2.79 114.58 116.73 2k4i h GLU 111 Ca 0.04 -0.30 -0.05 0.00 -1.00 0.00 0.00 59.36 58.05 2k4i h GLU 111 Cb 1.03 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 2k4i h GLU 111 CO 0.10 0.90 -0.24 1.15 -1.00 0.00 0.00 179.01 179.91 2k4i h THR 112 N 0.60 1.00 -0.65 1.13 2.02 -1.44 -2.41 112.91 113.15 2k4i h THR 112 Ca 0.07 -0.89 -0.31 0.00 0.77 0.00 0.00 66.41 66.06 2k4i h THR 112 Cb 0.78 1.50 -0.19 0.00 -1.74 0.00 0.00 68.15 68.51 2k4i h THR 112 CO 0.06 0.24 0.40 0.61 0.37 0.00 0.00 175.52 177.20 2k4i n GLY 113 N -0.64 3.57 1.19 2.16 0.00 -1.05 -4.07 105.19 106.35 2k4i n GLY 113 Ca -0.02 -0.74 -0.02 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.50 0.00 -2.67 2.61 5.66 -0.94 -5.02 114.28 113.41 2k4i n THR 114 Ca 0.39 -0.16 -0.04 0.00 -3.05 0.00 0.00 64.05 61.18 2k4i n THR 114 Cb 1.26 0.40 0.07 0.00 -1.55 0.00 0.00 70.33 70.52 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 -0.25 -2.24 -0.01 1.79 0.00 -1.00 -4.99 120.51 113.81 2k4i n ALA 115 Ca -0.11 -0.62 -0.17 0.00 0.00 0.00 0.00 53.44 52.54 2k4i n ALA 115 Cb 0.53 -2.05 -0.09 0.00 0.00 0.00 0.00 19.45 17.84 2k4i n ALA 115 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2k4i h GLU 116 N 1.94 0.56 -0.42 0.00 4.81 -1.84 -3.41 114.58 116.22 2k4i h GLU 116 Ca -0.37 -0.49 -0.29 0.00 -0.13 0.00 0.00 59.36 58.08 2k4i h GLU 116 Cb 1.22 0.11 -0.20 0.00 0.63 0.00 0.00 28.75 30.51 2k4i h GLU 116 CO -0.06 1.12 -0.60 1.17 -0.73 0.00 0.00 179.01 179.91 2k4i n LYS 117 N -4.15 0.98 -1.53 1.92 4.81 -1.26 -5.14 118.16 113.78 2k4i n LYS 117 Ca -0.09 -2.21 -0.38 0.00 -0.87 0.00 0.00 58.31 54.77 2k4i n LYS 117 Cb 0.66 -1.21 0.05 0.00 0.02 0.00 0.00 35.03 34.56 2k4i n LYS 117 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2k4i n MET 118 N 0.52 0.69 -1.17 1.64 0.00 -1.26 -4.97 117.12 112.56 2k4i n MET 118 Ca 0.10 0.27 -0.29 0.00 0.00 0.00 0.00 57.70 57.79 2k4i n MET 118 Cb 0.68 -1.99 0.17 0.00 0.00 0.00 0.00 33.22 32.07 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 -2.58 0.62 -0.44 3.17 0.04 -1.26 -4.98 135.00 129.57 2k4i s PRO 119 Ca 0.73 0.59 -0.24 0.00 0.04 0.00 0.00 61.00 62.12 2k4i s PRO 119 Cb -0.41 -1.75 0.02 0.00 0.04 0.00 0.00 34.50 32.40 2k4i s PRO 119 CO 0.50 -2.62 0.87 0.45 0.04 0.00 0.00 177.00 176.24 2k4i s SER 120 N -3.44 6.49 -0.01 6.66 0.15 -1.26 -5.02 113.70 117.27 2k4i s SER 120 Ca 0.65 0.09 -0.02 0.00 0.70 0.00 0.00 55.95 57.37 2k4i s SER 120 Cb -0.18 -2.43 -0.00 0.00 -1.71 0.00 0.00 66.02 61.70 2k4i s SER 120 CO 0.57 -0.97 0.04 0.28 1.20 0.00 0.00 173.24 174.37 2k4i s THR 121 N 3.53 0.04 0.22 6.45 -1.32 -1.26 -5.14 115.64 118.16 2k4i s THR 121 Ca 0.34 -0.30 -0.30 0.00 -1.21 0.00 0.00 61.69 60.23 2k4i s THR 121 Cb -0.11 -0.17 -0.08 0.00 -1.51 0.00 0.00 72.50 70.63 2k4i s THR 121 CO 0.24 -0.16 1.05 -0.94 -2.21 0.00 0.00 174.62 172.60 2k4i s SER 122 N -0.49 7.37 -0.00 8.08 1.04 -1.26 -5.03 113.70 123.41 2k4i s SER 122 Ca -0.06 2.10 -0.18 0.00 0.48 0.00 0.00 55.95 58.29 2k4i s SER 122 Cb -0.04 -2.61 -0.06 0.00 0.10 0.00 0.00 66.02 63.42 2k4i s SER 122 CO -0.00 -0.09 0.51 -0.60 0.98 0.00 0.00 173.24 174.04 2k4i s ARG 123 N -0.90 4.17 0.20 4.02 3.52 -1.26 -5.05 118.95 123.66 2k4i s ARG 123 Ca 0.46 0.58 -0.30 0.00 -0.13 0.00 0.00 55.73 56.34 2k4i s ARG 123 Cb -0.29 -3.30 -0.09 0.00 -1.56 0.00 0.00 34.95 29.72 2k4i s ARG 123 CO 0.36 0.50 1.30 -1.25 -0.81 0.00 0.00 175.30 175.40 2k4i s PRO 124 N -0.54 4.40 -0.22 5.12 0.04 -1.26 -5.02 135.00 137.51 2k4i s PRO 124 Ca 0.27 2.04 -0.03 0.00 0.04 0.00 0.00 61.00 63.32 2k4i s PRO 124 Cb -0.17 -3.19 -0.00 0.00 0.04 0.00 0.00 34.50 31.17 2k4i s PRO 124 CO 0.15 -0.23 -0.06 0.95 0.04 0.00 0.00 177.00 177.84 2k4i s THR 125 N 0.05 3.20 -0.01 1.26 -4.23 -1.26 -5.09 115.64 109.56 2k4i s THR 125 Ca 0.56 -0.56 -0.29 0.00 -1.18 0.00 0.00 61.69 60.23 2k4i s THR 125 Cb -0.36 -2.45 0.08 0.00 1.34 0.00 0.00 72.50 71.11 2k4i s THR 125 CO 0.39 0.43 0.75 0.00 -0.54 0.00 0.00 174.62 175.65 2k4i s ALA 126 N 1.45 -1.77 0.90 3.99 0.00 -1.26 -5.17 121.76 119.91 2k4i s ALA 126 Ca 0.06 1.13 -0.12 0.00 0.00 0.00 0.00 51.96 53.03 2k4i s ALA 126 Cb -0.14 0.14 0.13 0.00 0.00 0.00 0.00 23.12 23.25 2k4i s ALA 126 CO -0.05 -0.50 1.09 -1.25 0.00 0.00 0.00 175.76 175.06 2k4i s PRO 127 N -2.04 1.19 0.04 0.00 0.04 -1.26 -5.06 135.00 127.91 2k4i s PRO 127 Ca -0.04 0.79 -0.24 0.00 0.04 0.00 0.00 61.00 61.55 2k4i s PRO 127 Cb -0.00 -1.80 0.08 0.00 0.04 0.00 0.00 34.50 32.81 2k4i s PRO 127 CO 0.00 -2.28 1.12 -1.13 0.04 0.00 0.00 177.00 174.75 2k4i n SER 128 N -3.90 -1.27 -1.46 6.66 3.41 -1.26 -5.17 113.62 110.63 2k4i n SER 128 Ca 0.07 -1.42 0.19 0.00 -0.26 0.00 0.00 58.87 57.45 2k4i n SER 128 Cb 0.55 2.01 -0.06 0.00 -0.26 0.00 0.00 64.21 66.45 2k4i n SER 128 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2k4i n SER 129 N -1.09 -8.69 -3.87 4.04 2.88 -1.26 -5.01 113.62 100.62 2k4i n SER 129 Ca 0.02 0.76 -0.20 0.00 -1.33 0.00 0.00 58.87 58.12 2k4i n SER 129 Cb 0.54 -4.53 -0.09 0.00 -0.75 0.00 0.00 64.21 59.39 2k4i n SER 129 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2k4i s GLU 130 N -2.64 1.68 0.13 -1.46 2.02 -1.26 -5.18 118.70 111.99 2k4i s GLU 130 Ca 0.00 -1.97 0.02 0.00 0.02 0.00 0.00 54.97 53.04 2k4i s GLU 130 Cb 0.00 -0.08 -0.04 0.00 0.10 0.00 0.00 34.13 34.11 2k4i s GLU 130 CO 0.00 -0.50 -0.05 0.21 0.02 0.00 0.00 175.26 174.95 2k4i s LYS 131 N -3.73 0.95 0.00 1.61 2.47 -1.26 -5.10 119.74 114.69 2k4i s LYS 131 Ca 0.35 -1.41 0.00 0.00 -1.56 0.00 0.00 55.97 53.34 2k4i s LYS 131 Cb 0.04 -0.26 0.00 0.00 -1.46 0.00 0.00 37.83 36.15 2k4i s LYS 131 CO 0.19 -0.05 0.00 0.41 0.16 0.00 0.00 175.35 176.06 2k4i n GLY 132 N -0.12 -1.03 1.69 5.54 0.00 -1.26 -5.14 105.19 104.87 2k4i n GLY 132 Ca -0.10 0.71 -0.01 0.00 0.00 0.00 0.00 46.02 46.62 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 -3.78 3.64 -0.02 0.00 -1.26 -5.08 105.19 98.69 2k4i n GLY 133 Ca 0.00 0.06 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 2k4i n GLY 133 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2k4i s ASN 134 N -0.21 -0.44 0.00 1.61 3.84 -1.26 -5.08 114.94 113.39 2k4i s ASN 134 Ca -0.06 0.79 0.00 0.00 0.21 0.00 0.00 52.86 53.80 2k4i s ASN 134 Cb 0.00 0.95 0.00 0.00 -0.55 0.00 0.00 41.25 41.65 2k4i s ASN 134 CO 0.16 -0.13 0.00 0.00 -2.79 0.00 0.00 177.10 174.33