#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 -3.70 -1.54 4.61 0.00 -1.26 -4.63 120.51 113.99 2k4i n ALA 3 Ca 0.00 0.47 0.07 0.00 0.00 0.00 0.00 53.44 53.98 2k4i n ALA 3 Cb 0.00 -1.29 0.15 0.00 0.00 0.00 0.00 19.45 18.30 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 -4.23 1.17 -2.92 0.00 1.85 -1.26 -4.92 116.66 106.36 2k4i n ARG 4 Ca 0.01 -2.71 0.03 0.00 -1.00 0.00 0.00 57.85 54.17 2k4i n ARG 4 Cb 0.65 -1.30 0.00 0.00 -1.05 0.00 0.00 32.46 30.76 2k4i n ARG 4 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 2k4i s ASN 5 N -2.78 -0.49 0.91 2.89 3.84 -1.26 -5.15 114.94 112.89 2k4i s ASN 5 Ca 0.32 -0.16 0.00 0.00 0.21 0.00 0.00 52.86 53.24 2k4i s ASN 5 Cb 0.31 0.83 0.00 0.00 -0.55 0.00 0.00 41.25 41.84 2k4i s ASN 5 CO -0.04 -0.07 0.00 -1.20 -2.79 0.00 0.00 177.10 173.01 2k4i n SER 6 N 4.18 -5.48 -0.00 -4.21 7.64 -1.26 -4.82 113.62 109.67 2k4i n SER 6 Ca 0.07 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.91 2k4i n SER 6 Cb 0.61 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.80 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 -1.82 1.24 -2.46 0.44 0.31 -1.26 -4.75 118.33 110.03 2k4i n VAL 7 Ca 0.00 0.27 -0.25 0.00 -0.01 0.00 0.00 64.34 64.35 2k4i n VAL 7 Cb 0.00 -1.83 0.13 0.00 -0.91 0.00 0.00 33.84 31.22 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 -7.23 2.92 0.00 7.52 1.43 -1.26 -5.08 118.68 116.97 2k4i s LEU 8 Ca -0.11 -0.26 -0.16 0.00 -1.03 0.00 0.00 54.13 52.57 2k4i s LEU 8 Cb 0.02 -2.00 0.25 0.00 0.03 0.00 0.00 46.19 44.48 2k4i s LEU 8 CO 0.15 -2.06 0.75 0.54 0.23 0.00 0.00 176.35 175.96 2k4i n ARG 9 N -3.04 -3.18 -0.05 1.70 1.74 -1.26 -4.75 116.66 107.82 2k4i n ARG 9 Ca 0.15 -1.23 -0.13 0.00 -0.77 0.00 0.00 57.85 55.88 2k4i n ARG 9 Cb 0.60 -1.29 -0.12 0.00 -1.02 0.00 0.00 32.46 30.64 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 -2.45 -0.01 0.41 -0.13 0.00 -1.98 -1.44 103.07 97.47 2k4i h GLY 10 Ca -0.30 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.16 2k4i h GLY 10 CO 0.19 -0.00 0.58 0.50 0.00 0.00 0.00 176.54 177.81 2k4i h LYS 11 N -0.90 0.86 -0.02 4.80 1.57 -2.00 0.26 116.57 121.15 2k4i h LYS 11 Ca -0.00 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.56 2k4i h LYS 11 Cb 0.83 -0.19 0.01 0.00 0.08 0.00 0.00 32.23 32.96 2k4i h LYS 11 CO 0.00 0.57 -0.65 0.87 -0.57 0.00 0.00 179.45 179.67 2k4i h LYS 12 N 0.89 0.47 0.00 3.15 6.56 -1.94 -3.14 116.57 122.56 2k4i h LYS 12 Ca 0.49 -0.48 -0.02 0.00 -1.06 0.00 0.00 60.65 59.57 2k4i h LYS 12 Cb 0.54 0.13 -0.00 0.00 -0.57 0.00 0.00 32.23 32.33 2k4i h LYS 12 CO -0.29 1.13 -0.09 0.00 -2.06 0.00 0.00 179.45 178.13 2k4i h ALA 13 N 0.36 1.72 0.27 3.86 0.00 -0.53 -2.13 119.26 122.81 2k4i h ALA 13 Ca -0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2k4i h ALA 13 Cb 1.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2k4i h ALA 13 CO 0.13 0.12 -0.13 -0.44 0.00 0.00 0.00 179.25 178.93 2k4i h ASP 14 N 0.00 -0.31 -0.30 0.00 3.32 -0.52 -2.28 116.42 116.33 2k4i h ASP 14 Ca -0.00 -0.20 0.01 0.00 0.02 0.00 0.00 57.03 56.85 2k4i h ASP 14 Cb 0.18 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 2k4i h ASP 14 CO 0.01 0.07 0.20 -0.33 -1.72 0.00 0.00 179.24 177.47 2k4i h GLU 15 N -0.73 0.37 -0.45 3.56 3.07 -1.46 -1.72 114.58 117.22 2k4i h GLU 15 Ca -0.04 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 58.74 2k4i h GLU 15 Cb 0.49 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.30 2k4i h GLU 15 CO 0.06 0.25 0.03 1.25 -1.40 0.00 0.00 179.01 179.20 2k4i h LEU 16 N 0.38 0.75 0.00 1.33 7.12 -1.32 -2.17 115.31 121.41 2k4i h LEU 16 Ca 0.11 -0.29 0.00 0.00 0.13 0.00 0.00 57.88 57.83 2k4i h LEU 16 Cb -0.01 -0.20 0.00 0.00 -0.53 0.00 0.00 40.66 39.92 2k4i h LEU 16 CO -0.02 0.85 0.00 1.21 -0.13 0.00 0.00 178.44 180.35 2k4i n GLU 17 N -4.42 0.02 0.06 1.25 2.13 -0.82 -3.16 120.64 115.69 2k4i n GLU 17 Ca 0.00 0.10 -0.21 0.00 0.66 0.00 0.00 57.16 57.71 2k4i n GLU 17 Cb 0.28 -1.50 -0.15 0.00 0.27 0.00 0.00 31.44 30.34 2k4i n GLU 17 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k4i h ARG 18 N 0.00 0.34 -6.50 5.31 2.47 -0.78 -3.39 114.38 111.83 2k4i h ARG 18 Ca 0.00 -0.57 -0.61 0.00 -1.26 0.00 0.00 59.98 57.54 2k4i h ARG 18 Cb 0.39 0.21 0.10 0.00 -1.65 0.00 0.00 29.97 29.02 2k4i h ARG 18 CO 0.00 1.24 0.30 -0.89 0.56 0.00 0.00 179.97 181.18 2k4i n ILE 19 N -3.53 1.56 -4.03 2.04 5.41 -0.87 -4.80 119.36 115.15 2k4i n ILE 19 Ca -0.24 -0.39 -0.27 0.00 1.00 0.00 0.00 62.75 62.84 2k4i n ILE 19 Cb 1.07 -1.14 -0.05 0.00 -0.71 0.00 0.00 39.64 38.81 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 -1.13 3.08 0.44 0.38 3.00 -1.00 -1.11 118.95 122.61 2k4i s ARG 20 Ca 0.63 -0.73 0.24 0.00 0.00 0.00 0.00 55.73 55.87 2k4i s ARG 20 Cb -0.70 -2.78 0.90 0.00 0.00 0.00 0.00 34.95 32.37 2k4i s ARG 20 CO 0.57 0.52 1.82 -0.07 0.00 0.00 0.00 175.30 178.13 2k4i h LEU 21 N 2.54 0.00 -8.26 2.53 3.38 -0.82 -0.59 115.31 114.09 2k4i h LEU 21 Ca -0.47 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.37 2k4i h LEU 21 Cb 1.19 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.79 2k4i h LEU 21 CO 0.66 0.21 -0.68 -0.13 0.09 0.00 0.00 178.44 178.59 2k4i s ARG 22 N -3.61 0.63 0.27 1.13 0.52 -1.26 -4.36 118.95 112.28 2k4i s ARG 22 Ca 0.01 -1.24 0.05 0.00 -0.52 0.00 0.00 55.73 54.03 2k4i s ARG 22 Cb 0.10 0.21 0.37 0.00 0.52 0.00 0.00 34.95 36.15 2k4i s ARG 22 CO 0.63 -0.12 1.65 -1.00 0.02 0.00 0.00 175.30 176.48 2k4i h PRO 23 N 3.13 0.28 -0.15 3.54 0.13 -1.96 -3.20 132.00 133.76 2k4i h PRO 23 Ca -0.34 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2k4i h PRO 23 Cb 1.14 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2k4i h PRO 23 CO 0.65 0.69 0.00 0.41 -0.23 0.00 0.00 178.00 179.52 2k4i n GLY 24 N -0.04 3.45 2.88 1.56 0.00 -1.26 -5.03 105.19 106.75 2k4i n GLY 24 Ca -0.02 -0.51 -0.16 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.36 1.03 0.00 -0.02 0.00 -1.21 -5.04 105.19 99.59 2k4i n GLY 25 Ca 0.10 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.25 -0.10 -2.73 1.61 4.81 -1.26 -4.86 118.16 113.38 2k4i n LYS 26 Ca 0.12 -0.57 -0.42 0.00 -0.87 0.00 0.00 58.31 56.56 2k4i n LYS 26 Cb 0.44 -0.88 -0.03 0.00 0.02 0.00 0.00 35.03 34.58 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 -0.17 4.33 0.00 1.64 1.02 -1.26 -5.00 119.74 120.31 2k4i s LYS 27 Ca 0.00 1.28 0.02 0.00 0.02 0.00 0.00 55.97 57.29 2k4i s LYS 27 Cb 0.00 -3.59 -0.04 0.00 -0.52 0.00 0.00 37.83 33.69 2k4i s LYS 27 CO 0.00 -0.43 -0.01 0.15 -0.92 0.00 0.00 175.35 174.14 2k4i s LYS 28 N 2.46 2.72 0.51 1.68 1.02 -1.26 -0.06 119.74 126.81 2k4i s LYS 28 Ca 0.44 -0.64 -0.23 0.00 0.02 0.00 0.00 55.97 55.56 2k4i s LYS 28 Cb -0.17 -2.63 -0.06 0.00 -0.52 0.00 0.00 37.83 34.45 2k4i s LYS 28 CO 0.12 0.62 1.40 0.71 -0.92 0.00 0.00 175.35 177.28 2k4i s TYR 29 N -1.07 2.32 0.22 3.18 2.02 -0.27 -4.90 117.35 118.84 2k4i s TYR 29 Ca 0.19 1.31 -0.14 0.00 -0.37 0.00 0.00 57.07 58.07 2k4i s TYR 29 Cb -0.11 -3.88 0.00 0.00 -0.40 0.00 0.00 41.96 37.57 2k4i s TYR 29 CO 0.10 -3.01 0.47 0.50 -1.57 0.00 0.00 175.55 172.04 2k4i s ARG 30 N -2.73 1.45 0.46 -0.62 3.52 -1.26 -4.19 118.95 115.58 2k4i s ARG 30 Ca 0.68 -1.13 0.31 0.00 -0.13 0.00 0.00 55.73 55.45 2k4i s ARG 30 Cb -0.42 0.47 1.41 0.00 -1.56 0.00 0.00 34.95 34.84 2k4i s ARG 30 CO 0.52 -0.60 1.69 -0.07 -0.81 0.00 0.00 175.30 176.04 2k4i h LEU 31 N 2.28 0.22 -0.75 -0.88 4.07 -1.99 0.32 115.31 118.58 2k4i h LEU 31 Ca -0.27 0.08 0.16 0.00 0.08 0.00 0.00 57.88 57.92 2k4i h LEU 31 Cb 1.25 0.05 -0.10 0.00 1.08 0.00 0.00 40.66 42.94 2k4i h LEU 31 CO 0.38 -0.05 0.25 0.50 -1.08 0.00 0.00 178.44 178.44 2k4i h LYS 32 N 0.14 0.35 -0.07 1.13 3.64 -1.99 -0.53 116.57 119.24 2k4i h LYS 32 Ca 0.72 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.97 2k4i h LYS 32 Cb 2.38 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 34.12 2k4i h LYS 32 CO -0.25 0.23 -0.37 0.45 -2.27 0.00 0.00 179.45 177.24 2k4i h HIS 33 N 0.36 0.51 -0.81 1.91 3.86 -0.77 -2.52 115.15 117.69 2k4i h HIS 33 Ca 0.42 -0.23 0.15 0.00 -1.16 0.00 0.00 60.37 59.55 2k4i h HIS 33 Cb 0.70 -0.08 -0.06 0.00 1.06 0.00 0.00 27.41 29.03 2k4i h HIS 33 CO -0.21 0.98 0.53 0.82 0.86 0.00 0.00 177.93 180.92 2k4i h ILE 34 N -0.10 0.81 -0.05 2.45 2.04 -1.19 -0.34 117.51 121.13 2k4i h ILE 34 Ca -0.03 -0.18 -0.23 0.00 1.00 0.00 0.00 64.86 65.43 2k4i h ILE 34 Cb 1.03 0.24 0.01 0.00 -0.74 0.00 0.00 36.82 37.36 2k4i h ILE 34 CO 0.08 0.09 -0.90 0.58 0.00 0.00 0.00 178.15 178.00 2k4i h VAL 35 N 0.52 1.34 0.00 1.67 2.07 -1.12 -2.91 116.25 117.82 2k4i h VAL 35 Ca 0.40 -2.24 -0.06 0.00 0.82 0.00 0.00 66.70 65.62 2k4i h VAL 35 Cb 0.80 2.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.83 2k4i h VAL 35 CO -0.15 0.68 -0.27 -0.25 0.02 0.00 0.00 177.57 177.60 2k4i h TRP 36 N 0.35 0.00 0.16 1.57 7.01 -0.68 -0.91 115.95 123.45 2k4i h TRP 36 Ca -0.08 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.91 2k4i h TRP 36 Cb 1.53 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.59 2k4i h TRP 36 CO 0.07 0.27 -0.08 0.00 -2.79 0.00 0.00 178.44 175.92 2k4i h ALA 37 N 1.73 -0.21 -0.21 2.65 0.00 -1.09 -2.63 119.26 119.49 2k4i h ALA 37 Ca -0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 2k4i h ALA 37 Cb 0.60 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2k4i h ALA 37 CO 0.04 -0.26 -0.06 0.00 0.00 0.00 0.00 179.25 178.97 2k4i h ALA 38 N -0.46 1.53 -0.52 0.00 0.00 -1.51 -2.10 119.26 116.19 2k4i h ALA 38 Ca -0.02 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 2k4i h ALA 38 Cb 0.49 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2k4i h ALA 38 CO 0.04 0.34 -0.10 -0.91 0.00 0.00 0.00 179.25 178.61 2k4i h ASN 39 N 0.30 0.97 0.21 0.00 4.21 -1.24 -2.66 115.58 117.38 2k4i h ASN 39 Ca 0.07 -0.31 -0.13 0.00 1.21 0.00 0.00 56.30 57.13 2k4i h ASN 39 Cb 0.30 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 37.22 2k4i h ASN 39 CO 0.01 1.08 -0.51 0.11 -1.29 0.00 0.00 177.43 176.84 2k4i h LYS 40 N 0.87 0.34 0.53 0.81 1.79 -1.06 -2.78 116.57 117.07 2k4i h LYS 40 Ca 0.14 -0.20 -0.03 0.00 -2.18 0.00 0.00 60.65 58.39 2k4i h LYS 40 Cb 0.65 0.02 0.01 0.00 -1.58 0.00 0.00 32.23 31.32 2k4i h LYS 40 CO 0.05 0.77 -0.25 -0.07 -1.08 0.00 0.00 179.45 178.86 2k4i h LEU 41 N 0.27 -0.60 -0.76 2.94 3.38 -1.19 0.21 115.31 119.56 2k4i h LEU 41 Ca 0.01 0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.17 2k4i h LEU 41 Cb 0.99 0.16 -0.11 0.00 0.09 0.00 0.00 40.66 41.78 2k4i h LEU 41 CO 0.08 -0.39 0.21 0.44 0.09 0.00 0.00 178.44 178.87 2k4i h ASP 42 N -0.79 0.07 0.52 -0.43 5.19 -0.81 0.41 116.42 120.59 2k4i h ASP 42 Ca -0.07 0.14 -0.03 0.00 -0.62 0.00 0.00 57.03 56.46 2k4i h ASP 42 Cb 0.55 0.18 0.01 0.00 0.18 0.00 0.00 39.33 40.24 2k4i h ASP 42 CO 0.12 -0.02 -0.25 0.03 -3.12 0.00 0.00 179.24 176.00 2k4i h ARG 43 N 0.30 -0.68 -0.86 3.56 -0.00 -1.46 -3.15 114.38 112.10 2k4i h ARG 43 Ca 0.43 0.05 0.21 0.00 -0.50 0.00 0.00 59.98 60.17 2k4i h ARG 43 Cb 0.74 0.15 -0.13 0.00 0.00 0.00 0.00 29.97 30.73 2k4i h ARG 43 CO -0.50 -0.45 0.31 0.74 0.00 0.00 0.00 179.97 180.06 2k4i h PHE 44 N -0.79 0.49 0.00 3.04 0.04 -0.22 -3.45 116.94 116.06 2k4i h PHE 44 Ca -0.07 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.74 2k4i h PHE 44 Cb 0.54 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.61 2k4i h PHE 44 CO 0.08 -0.10 0.00 0.41 -0.60 0.00 0.00 178.31 178.10 2k4i n GLY 45 N -1.35 0.61 3.86 -1.45 0.00 0.72 -5.09 105.19 102.50 2k4i n GLY 45 Ca 0.20 0.00 -0.31 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 3.07 0.30 0.99 1.43 0.11 -4.86 118.68 119.72 2k4i s LEU 46 Ca 0.00 1.37 0.08 0.00 -1.03 0.00 0.00 54.13 54.55 2k4i s LEU 46 Cb 0.00 -4.29 -0.03 0.00 0.03 0.00 0.00 46.19 41.90 2k4i s LEU 46 CO 0.00 -1.20 0.21 0.00 0.23 0.00 0.00 176.35 175.59 2k4i s ALA 47 N -3.20 3.64 -1.68 4.21 0.00 -1.26 -1.20 121.76 122.27 2k4i s ALA 47 Ca 0.57 -1.59 0.26 0.00 0.00 0.00 0.00 51.96 51.20 2k4i s ALA 47 Cb -0.12 -1.12 1.42 0.00 0.00 0.00 0.00 23.12 23.30 2k4i s ALA 47 CO 0.54 0.13 1.89 -0.85 0.00 0.00 0.00 175.76 177.47 2k4i n GLU 48 N -1.23 0.57 0.33 0.00 0.28 -1.26 -3.54 120.64 115.79 2k4i n GLU 48 Ca -0.05 0.03 0.16 0.00 -0.16 0.00 0.00 57.16 57.14 2k4i n GLU 48 Cb 0.59 -1.50 0.88 0.00 1.43 0.00 0.00 31.44 32.84 2k4i n GLU 48 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2k4i h SER 49 N 0.00 0.00 -0.97 -1.84 4.64 -2.00 0.22 113.55 113.60 2k4i h SER 49 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 2k4i h SER 49 Cb 0.14 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 61.93 2k4i h SER 49 CO 0.00 0.00 0.68 0.18 -0.87 0.00 0.00 176.83 176.82 2k4i n LEU 50 N -2.90 6.81 0.00 5.97 4.77 -1.23 -4.18 117.00 126.24 2k4i n LEU 50 Ca -0.02 -3.66 0.00 0.00 -0.03 0.00 0.00 56.01 52.30 2k4i n LEU 50 Cb 0.33 -0.86 0.00 0.00 -2.33 0.00 0.00 43.42 40.56 2k4i n LEU 50 CO 0.14 1.10 -0.42 0.18 -1.33 0.00 0.00 177.39 177.07 2k4i n LEU 51 N -1.07 0.84 -2.04 2.23 4.77 0.78 -2.85 117.00 119.67 2k4i n LEU 51 Ca 0.59 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 56.46 2k4i n LEU 51 Cb 1.49 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 42.84 2k4i n LEU 51 CO 0.62 0.14 1.09 -1.84 -1.33 0.00 0.00 177.39 176.08 2k4i n GLU 52 N -1.95 3.20 -3.61 3.23 0.28 -1.25 -4.83 120.64 115.71 2k4i n GLU 52 Ca 0.00 -2.93 -0.07 0.00 -0.16 0.00 0.00 57.16 54.00 2k4i n GLU 52 Cb 0.42 -2.17 -0.09 0.00 1.43 0.00 0.00 31.44 31.04 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 -1.01 -0.33 0.27 -1.84 0.15 -1.26 -5.03 113.70 104.64 2k4i s SER 53 Ca 0.53 0.98 -0.01 0.00 0.70 0.00 0.00 55.95 58.16 2k4i s SER 53 Cb 0.43 1.45 0.53 0.00 -1.71 0.00 0.00 66.02 66.73 2k4i s SER 53 CO 0.12 -0.24 1.79 0.50 1.20 0.00 0.00 173.24 176.61 2k4i h LYS 54 N 8.15 0.71 0.00 5.44 3.64 -1.90 0.28 116.57 132.89 2k4i h LYS 54 Ca -0.16 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.15 2k4i h LYS 54 Cb 1.11 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.77 2k4i h LYS 54 CO 0.14 0.47 -0.12 0.93 -2.27 0.00 0.00 179.45 178.59 2k4i h GLU 55 N 0.73 0.00 -0.01 1.90 4.39 -1.97 -3.20 114.58 116.42 2k4i h GLU 55 Ca 0.47 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 60.11 2k4i h GLU 55 Cb 0.59 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 2k4i h GLU 55 CO -0.32 0.12 -0.19 0.78 -1.16 0.00 0.00 179.01 178.24 2k4i h GLY 56 N 2.14 0.17 0.32 -3.84 0.00 -0.79 -3.28 103.07 97.79 2k4i h GLY 56 Ca -0.00 -0.28 0.15 0.00 0.00 0.00 0.00 47.33 47.21 2k4i h GLY 56 CO 0.02 0.24 0.62 0.00 0.00 0.00 0.00 176.54 177.42 2k4i h GLN 58 N 0.87 0.00 -0.00 0.00 4.15 -1.61 0.31 115.11 118.83 2k4i h GLN 58 Ca 0.53 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.95 2k4i h GLN 58 Cb 0.70 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.39 2k4i h GLN 58 CO -0.31 0.00 -0.01 1.63 -1.93 0.00 0.00 178.83 178.21 2k4i n LYS 59 N -3.63 0.21 -0.09 1.69 4.76 0.10 -3.50 118.16 117.70 2k4i n LYS 59 Ca -0.01 -0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.27 2k4i n LYS 59 Cb 0.18 -1.50 -0.07 0.00 -1.84 0.00 0.00 35.03 31.81 2k4i n LYS 59 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2k4i n ILE 60 N -1.39 1.49 0.25 -0.18 5.41 0.11 -3.97 119.36 121.07 2k4i n ILE 60 Ca 0.10 0.05 0.18 0.00 1.00 0.00 0.00 62.75 64.08 2k4i n ILE 60 Cb 0.29 -2.19 0.85 0.00 -0.71 0.00 0.00 39.64 37.88 2k4i n ILE 60 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2k4i h LEU 61 N -1.00 0.00 -0.39 1.39 3.38 -1.64 0.27 115.31 117.33 2k4i h LEU 61 Ca -0.22 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.58 2k4i h LEU 61 Cb 1.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 2k4i h LEU 61 CO -0.13 0.00 -0.81 0.00 0.09 0.00 0.00 178.44 177.59 2k4i h THR 62 N 0.00 1.55 0.00 0.22 1.03 -1.72 0.40 112.91 114.39 2k4i h THR 62 Ca 0.06 -2.67 -0.16 0.00 -0.01 0.00 0.00 66.41 63.63 2k4i h THR 62 Cb 0.66 2.45 -0.02 0.00 -1.07 0.00 0.00 68.15 70.17 2k4i h THR 62 CO -0.00 0.77 -0.77 0.58 -0.01 0.00 0.00 175.52 176.09 2k4i h VAL 63 N 0.03 1.40 -0.01 0.00 2.07 -0.59 -3.24 116.25 115.90 2k4i h VAL 63 Ca -0.02 -2.77 0.00 0.00 0.82 0.00 0.00 66.70 64.73 2k4i h VAL 63 Cb 1.42 2.56 0.00 0.00 -1.52 0.00 0.00 31.29 33.74 2k4i h VAL 63 CO 0.11 0.75 -0.35 0.00 0.02 0.00 0.00 177.57 178.11 2k4i n LEU 64 N -3.41 1.82 0.22 2.57 -0.00 -0.99 -4.53 117.00 112.68 2k4i n LEU 64 Ca 0.00 -0.78 -0.15 0.00 -0.00 0.00 0.00 56.01 55.08 2k4i n LEU 64 Cb 0.80 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 44.14 2k4i n LEU 64 CO 0.44 0.34 0.52 0.44 -0.00 0.00 0.00 177.39 179.13 2k4i h ASP 65 N 2.14 -1.20 0.36 1.45 5.19 -0.21 -1.54 116.42 122.61 2k4i h ASP 65 Ca 0.00 0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.51 2k4i h ASP 65 Cb 0.63 0.40 0.00 0.00 0.18 0.00 0.00 39.33 40.54 2k4i h ASP 65 CO 0.00 -0.54 0.00 -0.81 -3.12 0.00 0.00 179.24 174.77 2k4i n PRO 66 N -4.99 0.13 0.10 3.56 -0.04 -1.26 -2.07 135.00 130.42 2k4i n PRO 66 Ca -0.10 0.19 0.12 0.00 -0.04 0.00 0.00 63.50 63.67 2k4i n PRO 66 Cb 0.38 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.43 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 0.61 0.54 2.86 -1.55 -3.35 114.93 114.04 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 0.18 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.85 2k4i h MET 67 CO 0.00 0.00 -0.29 0.28 1.06 0.00 0.00 176.91 177.96 2k4i h VAL 68 N 0.00 0.26 0.00 -2.22 2.07 -0.78 0.35 116.25 115.93 2k4i h VAL 68 Ca 0.00 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.20 2k4i h VAL 68 Cb 0.89 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2k4i h VAL 68 CO 0.00 0.03 0.00 -0.81 0.02 0.00 0.00 177.57 176.81 2k4i n PRO 69 N -5.36 0.49 -2.70 1.57 -0.04 -1.26 -3.22 135.00 124.48 2k4i n PRO 69 Ca -0.12 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.27 2k4i n PRO 69 Cb 0.35 -1.38 0.10 0.00 -0.04 0.00 0.00 33.50 32.53 2k4i n PRO 69 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2k4i n THR 70 N -0.88 0.20 -3.74 0.52 -2.24 -1.09 -5.14 114.28 101.91 2k4i n THR 70 Ca 0.09 -1.84 -0.07 0.00 -2.27 0.00 0.00 64.05 59.96 2k4i n THR 70 Cb 0.04 0.94 -0.01 0.00 -2.10 0.00 0.00 70.33 69.20 2k4i n THR 70 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k4i n GLY 71 N -0.45 2.44 0.11 3.38 0.00 0.12 -4.79 105.19 106.00 2k4i n GLY 71 Ca 0.00 -1.44 -0.01 0.00 0.00 0.00 0.00 46.02 44.58 2k4i n GLY 71 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k4i n SER 72 N -1.78 0.22 0.09 1.61 3.41 -1.26 -4.97 113.62 110.94 2k4i n SER 72 Ca -0.00 -1.04 -0.06 0.00 -0.26 0.00 0.00 58.87 57.50 2k4i n SER 72 Cb 0.29 -0.01 0.06 0.00 -0.26 0.00 0.00 64.21 64.29 2k4i n SER 72 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2k4i h GLU 73 N 0.00 0.19 -0.74 4.33 4.11 -1.98 -2.98 114.58 117.50 2k4i h GLU 73 Ca -0.01 -0.17 0.22 0.00 0.07 0.00 0.00 59.36 59.47 2k4i h GLU 73 Cb 0.03 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 2k4i h GLU 73 CO 0.01 0.85 0.59 -0.91 0.07 0.00 0.00 179.01 179.62 2k4i h ASN 74 N 0.12 0.00 0.02 3.06 2.35 -2.01 0.18 115.58 119.30 2k4i h ASN 74 Ca -0.02 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.45 2k4i h ASN 74 Cb 1.31 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.65 2k4i h ASN 74 CO 0.11 0.00 -1.51 -0.11 -1.65 0.00 0.00 177.43 174.27 2k4i n LEU 75 N -4.10 1.98 -0.24 1.61 0.00 -1.18 -4.11 117.00 110.96 2k4i n LEU 75 Ca 0.15 0.38 0.21 0.00 0.00 0.00 0.00 56.01 56.75 2k4i n LEU 75 Cb 0.86 -0.97 0.54 0.00 0.00 0.00 0.00 43.42 43.86 2k4i n LEU 75 CO 0.35 0.39 1.23 0.11 0.00 0.00 0.00 177.39 179.47 2k4i h LYS 76 N -0.86 0.34 0.26 1.96 1.57 -1.22 0.20 116.57 118.82 2k4i h LYS 76 Ca -0.40 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.34 2k4i h LYS 76 Cb 1.44 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.67 2k4i h LYS 76 CO -0.20 0.22 -0.13 0.77 -0.57 0.00 0.00 179.45 179.55 2k4i h SER 77 N 0.35 -0.30 0.32 0.86 0.02 -1.16 -1.77 113.55 111.86 2k4i h SER 77 Ca 0.47 0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 61.29 2k4i h SER 77 Cb 1.26 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.87 2k4i h SER 77 CO -0.16 -0.22 -0.57 0.25 -1.14 0.00 0.00 176.83 175.00 2k4i h LEU 78 N -0.36 0.29 -1.72 5.07 5.85 -1.39 -2.75 115.31 120.31 2k4i h LEU 78 Ca -0.04 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.52 2k4i h LEU 78 Cb 0.27 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2k4i h LEU 78 CO 0.06 0.80 0.14 0.15 -0.34 0.00 0.00 178.44 179.24 2k4i h PHE 79 N 0.20 0.31 0.14 1.25 3.57 -0.43 0.10 116.94 122.08 2k4i h PHE 79 Ca -0.00 0.00 -0.29 0.00 3.53 0.00 0.00 57.97 61.21 2k4i h PHE 79 Cb 1.06 -0.10 0.01 0.00 2.79 0.00 0.00 35.95 39.70 2k4i h PHE 79 CO 0.02 0.22 -1.33 -0.91 -2.23 0.00 0.00 178.31 174.08 2k4i h ASN 80 N 0.33 0.47 -0.22 0.41 4.21 -1.17 -3.28 115.58 116.33 2k4i h ASN 80 Ca 0.09 -0.52 -0.09 0.00 1.21 0.00 0.00 56.30 56.98 2k4i h ASN 80 Cb 0.00 -0.15 -0.00 0.00 -1.12 0.00 0.00 38.32 37.05 2k4i h ASN 80 CO -0.02 1.42 -0.22 0.74 -1.29 0.00 0.00 177.43 178.06 2k4i h THR 81 N 0.08 1.32 -0.26 2.81 2.02 -1.11 -2.96 112.91 114.82 2k4i h THR 81 Ca -0.17 -1.38 0.07 0.00 0.77 0.00 0.00 66.41 65.71 2k4i h THR 81 Cb 2.01 1.72 -0.01 0.00 -1.74 0.00 0.00 68.15 70.13 2k4i h THR 81 CO 0.20 0.42 0.23 0.58 0.37 0.00 0.00 175.52 177.33 2k4i h VAL 82 N 0.22 0.61 -0.18 3.16 2.07 -0.94 -1.29 116.25 119.91 2k4i h VAL 82 Ca 0.04 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.46 2k4i h VAL 82 Cb 0.77 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 2k4i h VAL 82 CO 0.05 0.00 -0.25 0.00 0.02 0.00 0.00 177.57 177.40 2k4i h VAL 84 N 0.14 1.26 -0.84 0.00 2.07 -1.22 -2.49 116.25 115.16 2k4i h VAL 84 Ca 0.02 -0.90 0.04 0.00 0.82 0.00 0.00 66.70 66.68 2k4i h VAL 84 Cb 0.81 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 2k4i h VAL 84 CO 0.06 0.35 0.55 0.40 0.02 0.00 0.00 177.57 178.95 2k4i h ILE 85 N 1.05 1.11 -0.33 4.57 1.08 -1.40 -1.99 117.51 121.60 2k4i h ILE 85 Ca 0.23 -0.35 -0.17 0.00 -0.39 0.00 0.00 64.86 64.18 2k4i h ILE 85 Cb 0.31 0.01 -0.00 0.00 -3.07 0.00 0.00 36.82 34.07 2k4i h ILE 85 CO -0.01 0.18 -0.45 -0.25 -0.69 0.00 0.00 178.15 176.94 2k4i h TRP 86 N 1.01 1.05 0.00 1.37 7.01 -1.34 -2.81 115.95 122.24 2k4i h TRP 86 Ca 0.34 -0.34 -0.00 0.00 2.11 0.00 0.00 58.89 61.00 2k4i h TRP 86 Cb 0.09 -0.21 -0.00 0.00 -2.10 0.00 0.00 29.16 26.94 2k4i h TRP 86 CO -0.00 1.15 -0.02 0.00 -2.79 0.00 0.00 178.44 176.78 2k4i h ILE 88 N 0.00 1.34 0.00 0.00 2.04 -1.17 -0.63 117.51 119.09 2k4i h ILE 88 Ca -0.00 -2.67 -0.14 0.00 1.00 0.00 0.00 64.86 63.05 2k4i h ILE 88 Cb 0.20 2.83 -0.02 0.00 -0.74 0.00 0.00 36.82 39.09 2k4i h ILE 88 CO 0.00 0.80 -1.21 0.45 0.00 0.00 0.00 178.15 178.20 2k4i h HIS 89 N 0.19 0.00 -0.04 1.37 3.86 -1.32 -3.30 115.15 115.90 2k4i h HIS 89 Ca -0.19 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.02 2k4i h HIS 89 Cb 1.98 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.45 2k4i h HIS 89 CO 0.10 0.50 0.00 0.00 0.86 0.00 0.00 177.93 179.39 2k4i n ALA 90 N -2.34 2.59 -1.43 2.45 0.00 0.98 -4.86 120.51 117.90 2k4i n ALA 90 Ca -0.07 -0.22 -0.14 0.00 0.00 0.00 0.00 53.44 53.02 2k4i n ALA 90 Cb 0.79 -1.25 -0.06 0.00 0.00 0.00 0.00 19.45 18.93 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 -0.52 -0.98 -3.18 0.00 2.13 -1.22 -4.98 120.64 111.89 2k4i n GLU 91 Ca 0.15 0.99 -0.39 0.00 0.66 0.00 0.00 57.16 58.57 2k4i n GLU 91 Cb 0.13 -5.09 -0.06 0.00 0.27 0.00 0.00 31.44 26.69 2k4i n GLU 91 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2k4i s GLU 92 N -3.23 4.33 -0.18 5.31 0.41 -0.25 -5.04 118.70 120.05 2k4i s GLU 92 Ca 0.00 0.81 -0.07 0.00 -0.41 0.00 0.00 54.97 55.29 2k4i s GLU 92 Cb 0.00 -3.31 -0.04 0.00 -1.78 0.00 0.00 34.13 29.00 2k4i s GLU 92 CO 0.00 0.44 0.07 0.21 -0.49 0.00 0.00 175.26 175.49 2k4i s LYS 93 N -0.49 3.95 0.11 1.61 2.36 -1.26 -4.44 119.74 121.58 2k4i s LYS 93 Ca 0.32 -0.33 0.01 0.00 -2.55 0.00 0.00 55.97 53.42 2k4i s LYS 93 Cb -0.19 -3.22 -0.04 0.00 -1.05 0.00 0.00 37.83 33.33 2k4i s LYS 93 CO 0.19 0.31 -0.04 0.14 1.55 0.00 0.00 175.35 177.50 2k4i s VAL 94 N 0.27 0.56 -0.11 4.02 -7.23 -1.26 -4.99 120.40 111.66 2k4i s VAL 94 Ca 0.04 -1.92 0.15 0.00 -1.81 0.00 0.00 61.98 58.44 2k4i s VAL 94 Cb -0.12 -1.76 -0.21 0.00 0.56 0.00 0.00 36.38 34.84 2k4i s VAL 94 CO 0.00 -0.79 0.16 0.29 -0.31 0.00 0.00 175.10 174.45 2k4i n LYS 95 N -0.06 1.13 -2.09 4.82 4.01 -1.26 -4.70 118.16 120.02 2k4i n LYS 95 Ca -0.11 -0.06 -0.03 0.00 -0.51 0.00 0.00 58.31 57.61 2k4i n LYS 95 Cb 0.62 -1.40 -0.01 0.00 -0.51 0.00 0.00 35.03 33.73 2k4i n LYS 95 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 2k4i n ASP 96 N -2.40 -0.20 -0.06 4.39 5.75 -1.26 -2.39 116.55 120.38 2k4i n ASP 96 Ca -0.17 -1.33 -0.14 0.00 -0.01 0.00 0.00 54.79 53.13 2k4i n ASP 96 Cb 0.80 0.39 -0.12 0.00 -1.03 0.00 0.00 41.12 41.16 2k4i n ASP 96 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 2k4i h THR 97 N 1.17 1.72 -1.00 2.12 2.02 -1.30 -3.13 112.91 114.52 2k4i h THR 97 Ca -0.04 -2.14 0.20 0.00 0.77 0.00 0.00 66.41 65.20 2k4i h THR 97 Cb 0.20 3.18 -0.11 0.00 -1.74 0.00 0.00 68.15 69.68 2k4i h THR 97 CO 0.06 0.56 0.61 -0.33 0.37 0.00 0.00 175.52 176.79 2k4i h GLU 98 N -0.90 0.68 -0.21 6.66 4.39 -1.86 0.21 114.58 123.55 2k4i h GLU 98 Ca -0.00 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 2k4i h GLU 98 Cb 0.92 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 2k4i h GLU 98 CO 0.00 0.45 0.01 0.78 -1.16 0.00 0.00 179.01 179.09 2k4i h GLY 99 N 0.70 0.38 1.98 -3.84 0.00 -1.97 -2.68 103.07 97.64 2k4i h GLY 99 Ca 0.59 -0.28 -0.08 0.00 0.00 0.00 0.00 47.33 47.56 2k4i h GLY 99 CO -0.38 0.25 -0.39 0.00 0.00 0.00 0.00 176.54 176.02 2k4i h ALA 100 N 0.80 1.34 -0.17 3.60 0.00 -1.15 -2.65 119.26 121.03 2k4i h ALA 100 Ca 0.06 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 2k4i h ALA 100 Cb 0.37 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2k4i h ALA 100 CO 0.01 0.50 -0.22 -0.22 0.00 0.00 0.00 179.25 179.31 2k4i h LYS 101 N 0.02 0.30 0.02 0.00 3.64 -0.50 -2.50 116.57 117.55 2k4i h LYS 101 Ca -0.00 -0.09 -0.25 0.00 -1.27 0.00 0.00 60.65 59.03 2k4i h LYS 101 Cb 0.70 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.51 2k4i h LYS 101 CO 0.05 0.51 -1.03 0.37 -2.27 0.00 0.00 179.45 177.08 2k4i h GLN 102 N 0.27 0.55 -0.34 1.90 4.15 -1.15 -2.90 115.11 117.59 2k4i h GLN 102 Ca 0.05 -0.62 -0.00 0.00 0.77 0.00 0.00 58.65 58.84 2k4i h GLN 102 Cb 0.55 0.18 -0.02 0.00 0.21 0.00 0.00 27.48 28.41 2k4i h GLN 102 CO 0.04 1.24 0.21 0.82 -1.93 0.00 0.00 178.83 179.20 2k4i h ILE 103 N 0.30 1.12 -0.33 2.39 2.04 -1.27 -0.93 117.51 120.83 2k4i h ILE 103 Ca -0.12 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.46 2k4i h ILE 103 Cb 1.69 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 2k4i h ILE 103 CO 0.19 0.12 0.14 0.58 0.00 0.00 0.00 178.15 179.18 2k4i h VAL 104 N 0.44 1.18 0.83 1.67 2.07 -1.53 -1.49 116.25 119.42 2k4i h VAL 104 Ca 0.12 -0.53 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 2k4i h VAL 104 Cb 0.01 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 2k4i h VAL 104 CO -0.02 0.19 -0.48 -0.09 0.02 0.00 0.00 177.57 177.18 2k4i h ARG 105 N 0.39 -1.17 -0.52 1.57 9.65 -1.33 -2.51 114.38 120.46 2k4i h ARG 105 Ca 0.11 0.08 0.10 0.00 -1.10 0.00 0.00 59.98 59.17 2k4i h ARG 105 Cb 0.16 0.27 -0.09 0.00 -1.39 0.00 0.00 29.97 28.92 2k4i h ARG 105 CO -0.01 -0.78 -0.04 0.00 2.80 0.00 0.00 179.97 181.94 2k4i h ARG 106 N -1.22 0.07 -0.40 0.20 2.47 -1.18 0.26 114.38 114.58 2k4i h ARG 106 Ca -0.11 -0.00 0.12 0.00 -1.26 0.00 0.00 59.98 58.72 2k4i h ARG 106 Cb 0.96 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 29.25 2k4i h ARG 106 CO 0.13 0.05 0.37 0.45 0.56 0.00 0.00 179.97 181.53 2k4i h HIS 107 N 0.08 0.00 0.02 3.04 3.86 -1.12 -0.09 115.15 120.93 2k4i h HIS 107 Ca 0.26 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 59.17 2k4i h HIS 107 Cb 0.40 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.83 2k4i h HIS 107 CO -0.36 0.00 -1.62 1.28 0.86 0.00 0.00 177.93 178.09 2k4i n LEU 108 N -3.95 2.05 0.03 2.43 4.77 0.62 -4.08 117.00 118.87 2k4i n LEU 108 Ca 0.07 0.35 0.17 0.00 -0.03 0.00 0.00 56.01 56.57 2k4i n LEU 108 Cb 0.55 -0.97 0.66 0.00 -2.33 0.00 0.00 43.42 41.33 2k4i n LEU 108 CO 0.31 0.45 1.17 0.58 -1.33 0.00 0.00 177.39 178.56 2k4i h VAL 109 N -0.77 0.79 -0.56 4.08 2.07 -0.34 -0.41 116.25 121.11 2k4i h VAL 109 Ca -0.42 -0.02 -0.06 0.00 0.82 0.00 0.00 66.70 67.03 2k4i h VAL 109 Cb 1.51 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 2k4i h VAL 109 CO -0.18 0.01 0.14 0.00 0.02 0.00 0.00 177.57 177.55 2k4i h ALA 110 N 1.77 0.74 0.01 1.67 0.00 -1.19 -0.28 119.26 121.99 2k4i h ALA 110 Ca 0.22 -0.22 -0.22 0.00 0.00 0.00 0.00 54.91 54.68 2k4i h ALA 110 Cb 0.80 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2k4i h ALA 110 CO -0.01 0.44 -0.95 0.93 0.00 0.00 0.00 179.25 179.66 2k4i h GLU 111 N 0.80 0.37 -1.00 0.00 4.39 -1.32 -3.23 114.58 114.59 2k4i h GLU 111 Ca 0.18 -0.41 -0.57 0.00 0.34 0.00 0.00 59.36 58.89 2k4i h GLU 111 Cb 0.35 0.12 -0.30 0.00 -0.10 0.00 0.00 28.75 28.81 2k4i h GLU 111 CO 0.00 1.09 0.73 2.41 -1.16 0.00 0.00 179.01 182.09 2k4i n THR 112 N -3.72 3.36 -1.79 1.13 -1.04 -0.31 -4.26 114.28 107.64 2k4i n THR 112 Ca -0.06 -2.27 0.05 0.00 -2.04 0.00 0.00 64.05 59.73 2k4i n THR 112 Cb 0.84 -0.71 0.08 0.00 -1.82 0.00 0.00 70.33 68.72 2k4i n THR 112 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k4i n GLY 113 N -1.07 2.61 0.03 3.41 0.00 -0.13 -4.76 105.19 105.29 2k4i n GLY 113 Ca 0.61 -0.73 -0.03 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.47 0.43 0.20 2.61 5.66 -1.26 -4.43 114.28 117.01 2k4i n THR 114 Ca 0.09 -0.28 0.16 0.00 -3.05 0.00 0.00 64.05 60.97 2k4i n THR 114 Cb 0.78 -0.67 0.80 0.00 -1.55 0.00 0.00 70.33 69.69 2k4i n THR 114 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k4i h ALA 115 N 0.39 1.88 -1.10 1.79 0.00 -1.86 -2.12 119.26 118.24 2k4i h ALA 115 Ca -0.17 -0.01 -0.53 0.00 0.00 0.00 0.00 54.91 54.21 2k4i h ALA 115 Cb 1.30 0.01 -0.42 0.00 0.00 0.00 0.00 17.79 18.69 2k4i h ALA 115 CO 0.01 -0.28 -0.84 -0.85 0.00 0.00 0.00 179.25 177.29 2k4i n GLU 116 N -3.96 3.14 -2.20 0.00 0.00 -1.26 -4.71 120.64 111.65 2k4i n GLU 116 Ca 0.02 -4.18 -0.02 0.00 0.00 0.00 0.00 57.16 52.98 2k4i n GLU 116 Cb 0.31 -2.11 0.07 0.00 0.00 0.00 0.00 31.44 29.70 2k4i n GLU 116 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 2k4i n LYS 117 N -0.53 0.73 -1.52 3.44 4.81 -0.80 -5.10 118.16 119.19 2k4i n LYS 117 Ca 0.35 -0.73 -0.35 0.00 -0.87 0.00 0.00 58.31 56.71 2k4i n LYS 117 Cb 0.80 0.20 0.09 0.00 0.02 0.00 0.00 35.03 36.14 2k4i n LYS 117 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 2k4i s MET 118 N 0.08 2.24 0.09 1.64 -1.94 -1.22 -4.90 119.30 115.28 2k4i s MET 118 Ca 0.06 1.91 -0.16 0.00 -1.71 0.00 0.00 55.69 55.79 2k4i s MET 118 Cb 0.24 -1.83 -0.10 0.00 2.01 0.00 0.00 34.83 35.16 2k4i s MET 118 CO -0.07 -1.80 1.41 -1.00 -0.01 0.00 0.00 175.02 173.55 2k4i h PRO 119 N -0.01 0.64 0.00 2.03 0.13 -2.01 -3.49 132.00 129.28 2k4i h PRO 119 Ca -0.49 -0.34 0.22 0.00 -0.87 0.00 0.00 66.00 64.52 2k4i h PRO 119 Cb 1.32 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.40 2k4i h PRO 119 CO 0.51 0.94 -0.29 0.43 -0.23 0.00 0.00 178.00 179.36 2k4i n SER 120 N -4.32 -6.57 -4.70 1.44 7.64 -1.26 -4.75 113.62 101.10 2k4i n SER 120 Ca -0.04 0.85 -0.35 0.00 1.01 0.00 0.00 58.87 60.34 2k4i n SER 120 Cb 0.45 -2.45 -0.09 0.00 -1.01 0.00 0.00 64.21 61.12 2k4i n SER 120 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2k4i s THR 121 N -1.31 5.06 -0.14 0.44 -4.23 -1.26 -5.08 115.64 109.12 2k4i s THR 121 Ca 0.00 0.06 -0.04 0.00 -1.18 0.00 0.00 61.69 60.53 2k4i s THR 121 Cb 0.00 -3.27 0.07 0.00 1.34 0.00 0.00 72.50 70.64 2k4i s THR 121 CO 0.00 0.48 0.21 -0.44 -0.54 0.00 0.00 174.62 174.34 2k4i s SER 122 N 0.10 0.91 0.85 3.99 0.01 -1.26 -5.15 113.70 113.15 2k4i s SER 122 Ca 0.07 0.17 -0.11 0.00 1.31 0.00 0.00 55.95 57.39 2k4i s SER 122 Cb -0.12 0.43 0.11 0.00 0.21 0.00 0.00 66.02 66.65 2k4i s SER 122 CO 0.00 -0.28 1.15 -0.13 0.41 0.00 0.00 173.24 174.39 2k4i s ARG 123 N 2.34 1.49 -0.80 12.44 0.52 -1.26 -4.87 118.95 128.81 2k4i s ARG 123 Ca 0.04 1.52 -0.25 0.00 -0.52 0.00 0.00 55.73 56.52 2k4i s ARG 123 Cb -0.14 -1.78 -0.04 0.00 0.52 0.00 0.00 34.95 33.51 2k4i s ARG 123 CO -0.09 -2.28 1.92 -1.25 0.02 0.00 0.00 175.30 173.62 2k4i s PRO 124 N -4.55 2.58 -0.28 3.54 0.04 -1.26 -4.68 135.00 130.40 2k4i s PRO 124 Ca 0.67 0.02 0.20 0.00 0.04 0.00 0.00 61.00 61.93 2k4i s PRO 124 Cb -0.23 -4.84 0.48 0.00 0.04 0.00 0.00 34.50 29.95 2k4i s PRO 124 CO 0.55 -3.16 1.23 0.25 0.04 0.00 0.00 177.00 175.91 2k4i n THR 125 N 7.66 0.90 -2.67 1.26 -2.24 -1.26 -4.98 114.28 112.94 2k4i n THR 125 Ca 0.34 -2.35 -0.04 0.00 -2.27 0.00 0.00 64.05 59.73 2k4i n THR 125 Cb 0.49 1.22 0.04 0.00 -2.10 0.00 0.00 70.33 69.98 2k4i n THR 125 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k4i n ALA 126 N -0.84 -3.61 -0.04 6.98 0.00 -1.26 -5.05 120.51 116.69 2k4i n ALA 126 Ca -0.00 -0.10 -0.13 0.00 0.00 0.00 0.00 53.44 53.21 2k4i n ALA 126 Cb 0.83 -3.17 -0.08 0.00 0.00 0.00 0.00 19.45 17.03 2k4i n ALA 126 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2k4i h PRO 127 N 3.96 0.24 -1.72 0.00 0.13 -1.99 -3.48 132.00 129.14 2k4i h PRO 127 Ca -0.06 -0.13 0.29 0.00 -0.87 0.00 0.00 66.00 65.23 2k4i h PRO 127 Cb 1.17 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.20 2k4i h PRO 127 CO -0.12 0.66 0.76 -1.12 -0.23 0.00 0.00 178.00 177.95 2k4i s SER 128 N -5.99 -0.07 -0.01 1.44 0.01 -1.26 -5.06 113.70 102.76 2k4i s SER 128 Ca -0.15 -0.22 0.25 0.00 1.31 0.00 0.00 55.95 57.14 2k4i s SER 128 Cb 0.04 0.24 0.42 0.00 0.21 0.00 0.00 66.02 66.93 2k4i s SER 128 CO 0.73 -0.45 1.17 -1.20 0.41 0.00 0.00 173.24 173.90 2k4i n SER 129 N -0.57 1.01 -2.82 2.44 7.64 -1.26 -5.06 113.62 114.99 2k4i n SER 129 Ca -0.07 -2.08 -0.01 0.00 1.01 0.00 0.00 58.87 57.73 2k4i n SER 129 Cb 0.62 -0.31 -0.00 0.00 -1.01 0.00 0.00 64.21 63.51 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 0.42 -2.86 -4.23 1.43 4.71 -1.26 -5.04 120.64 113.80 2k4i n GLU 130 Ca 0.06 2.39 -0.21 0.00 -0.01 0.00 0.00 57.16 59.39 2k4i n GLU 130 Cb 1.12 -4.28 -0.12 0.00 -1.01 0.00 0.00 31.44 27.15 2k4i n GLU 130 CO 0.00 0.00 0.00 -1.59 0.09 0.00 0.00 177.13 175.63 2k4i s LYS 131 N -1.36 0.97 -0.25 3.49 -2.85 -1.26 -5.15 119.74 113.34 2k4i s LYS 131 Ca -0.03 -1.05 -0.35 0.00 -1.00 0.00 0.00 55.97 53.54 2k4i s LYS 131 Cb 0.00 -1.11 0.16 0.00 -2.06 0.00 0.00 37.83 34.82 2k4i s LYS 131 CO 0.60 0.25 1.31 0.20 0.10 0.00 0.00 175.35 177.81 2k4i s GLY 132 N -1.81 -0.18 0.00 0.59 0.00 -1.26 -5.16 107.32 99.51 2k4i s GLY 132 Ca 0.02 2.00 0.00 0.00 0.00 0.00 0.00 44.72 46.74 2k4i s GLY 132 CO 0.03 0.71 0.00 0.61 0.00 0.00 0.00 173.10 174.45 2k4i n GLY 133 N 0.09 -2.72 0.75 0.20 0.00 -1.26 -4.97 105.19 97.27 2k4i n GLY 133 Ca 0.02 -1.01 0.06 0.00 0.00 0.00 0.00 46.02 45.08 2k4i n GLY 133 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2k4i n ASN 134 N -0.43 1.49 0.00 1.61 5.15 -1.26 -5.33 115.26 116.49 2k4i n ASN 134 Ca 0.00 -3.13 0.00 0.00 -0.60 0.00 0.00 54.58 50.85 2k4i n ASN 134 Cb 0.00 -0.43 0.00 0.00 -0.53 0.00 0.00 39.78 38.82 2k4i n ASN 134 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44