#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4i s ALA 3 N 0.00 -1.76 -0.05 4.61 0.00 -1.26 -4.98 121.76 118.32 2k4i s ALA 3 Ca 0.00 0.19 0.05 0.00 0.00 0.00 0.00 51.96 52.20 2k4i s ALA 3 Cb 0.00 0.60 -0.07 0.00 0.00 0.00 0.00 23.12 23.65 2k4i s ALA 3 CO 0.00 -1.05 0.04 0.54 0.00 0.00 0.00 175.76 175.29 2k4i n ARG 4 N -0.50 2.62 -0.03 0.00 3.00 -1.26 -4.88 116.66 115.61 2k4i n ARG 4 Ca -0.06 -0.01 -0.03 0.00 -0.01 0.00 0.00 57.85 57.73 2k4i n ARG 4 Cb 0.61 -1.14 -0.01 0.00 0.00 0.00 0.00 32.46 31.92 2k4i n ARG 4 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2k4i n ASN 5 N -2.12 0.77 -3.81 0.55 4.13 -1.26 -5.09 115.26 108.43 2k4i n ASN 5 Ca -0.08 0.13 -0.11 0.00 1.68 0.00 0.00 54.58 56.20 2k4i n ASN 5 Cb 0.59 -0.53 -0.08 0.00 -1.54 0.00 0.00 39.78 38.22 2k4i n ASN 5 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2k4i s SER 6 N -4.91 -0.06 -0.11 6.41 0.01 -1.26 -4.83 113.70 108.95 2k4i s SER 6 Ca -0.10 -0.21 -0.20 0.00 1.31 0.00 0.00 55.95 56.75 2k4i s SER 6 Cb 0.01 0.30 -0.27 0.00 0.21 0.00 0.00 66.02 66.28 2k4i s SER 6 CO 0.15 -0.53 0.62 0.58 0.41 0.00 0.00 173.24 174.47 2k4i h VAL 7 N 3.57 1.23 -3.30 3.43 2.07 -1.95 -3.45 116.25 117.84 2k4i h VAL 7 Ca -0.31 -2.40 -0.40 0.00 0.82 0.00 0.00 66.70 64.41 2k4i h VAL 7 Cb 1.19 2.85 0.20 0.00 -1.52 0.00 0.00 31.29 34.02 2k4i h VAL 7 CO 0.45 0.64 0.05 -0.76 0.02 0.00 0.00 177.57 177.97 2k4i s LEU 8 N -7.75 -0.03 1.39 2.57 1.43 -1.26 -5.01 118.68 110.02 2k4i s LEU 8 Ca -0.19 0.58 -0.22 0.00 -1.03 0.00 0.00 54.13 53.27 2k4i s LEU 8 Cb 0.03 -2.14 0.35 0.00 0.03 0.00 0.00 46.19 44.46 2k4i s LEU 8 CO 0.75 -4.69 0.80 0.54 0.23 0.00 0.00 176.35 173.98 2k4i n ARG 9 N -5.14 -4.34 0.07 1.70 3.00 -1.26 -4.60 116.66 106.10 2k4i n ARG 9 Ca 0.15 -1.29 -0.12 0.00 -0.01 0.00 0.00 57.85 56.58 2k4i n ARG 9 Cb 0.60 -1.87 -0.08 0.00 0.00 0.00 0.00 32.46 31.11 2k4i n ARG 9 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 2k4i h GLY 10 N -3.45 -0.25 0.99 -0.13 0.00 -1.97 -0.32 103.07 97.94 2k4i h GLY 10 Ca -0.39 0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 2k4i h GLY 10 CO 0.25 -0.09 0.28 1.70 0.00 0.00 0.00 176.54 178.67 2k4i h LYS 11 N -0.76 0.64 -0.47 4.80 3.64 -2.01 -2.73 116.57 119.67 2k4i h LYS 11 Ca -0.02 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.25 2k4i h LYS 11 Cb 0.51 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 2k4i h LYS 11 CO 0.04 0.47 0.13 0.87 -2.27 0.00 0.00 179.45 178.69 2k4i h LYS 12 N 0.62 0.75 -0.94 1.90 1.79 -1.92 -2.74 116.57 116.03 2k4i h LYS 12 Ca 0.17 -0.18 0.19 0.00 -2.18 0.00 0.00 60.65 58.65 2k4i h LYS 12 Cb -0.00 -0.10 -0.08 0.00 -1.58 0.00 0.00 32.23 30.47 2k4i h LYS 12 CO -0.03 0.73 0.60 0.00 -1.08 0.00 0.00 179.45 179.67 2k4i h ALA 13 N 0.99 1.95 0.54 3.86 0.00 -0.79 -1.86 119.26 123.94 2k4i h ALA 13 Ca 0.15 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2k4i h ALA 13 Cb 0.31 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2k4i h ALA 13 CO -0.00 -0.26 -0.30 0.22 0.00 0.00 0.00 179.25 178.91 2k4i h ASP 14 N 0.59 -0.75 -0.88 0.00 1.82 -1.19 -0.53 116.42 115.48 2k4i h ASP 14 Ca 0.51 0.04 0.16 0.00 -0.39 0.00 0.00 57.03 57.34 2k4i h ASP 14 Cb 0.99 0.21 -0.10 0.00 0.68 0.00 0.00 39.33 41.12 2k4i h ASP 14 CO -0.25 -0.49 0.47 -0.33 -1.61 0.00 0.00 179.24 177.03 2k4i h GLU 15 N -0.79 0.63 -0.15 0.28 3.07 -1.36 0.11 114.58 116.36 2k4i h GLU 15 Ca -0.07 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.75 2k4i h GLU 15 Cb 0.63 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 2k4i h GLU 15 CO 0.08 0.41 0.06 1.25 -1.40 0.00 0.00 179.01 179.41 2k4i h LEU 16 N 0.64 0.21 -0.29 1.33 7.12 -1.12 0.47 115.31 123.66 2k4i h LEU 16 Ca 0.49 -0.17 0.00 0.00 0.13 0.00 0.00 57.88 58.33 2k4i h LEU 16 Cb 0.72 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.79 2k4i h LEU 16 CO -0.37 0.32 0.00 -0.62 -0.13 0.00 0.00 178.44 177.64 2k4i n GLU 17 N -4.87 0.08 -0.07 1.25 4.71 -0.24 -2.92 120.64 118.58 2k4i n GLU 17 Ca -0.05 0.33 -0.22 0.00 -0.01 0.00 0.00 57.16 57.21 2k4i n GLU 17 Cb 0.12 -1.65 -0.12 0.00 -1.01 0.00 0.00 31.44 28.78 2k4i n GLU 17 CO 0.00 0.00 0.00 -2.13 0.09 0.00 0.00 177.13 175.09 2k4i n ARG 18 N -1.79 0.65 -1.62 3.49 3.00 0.26 -4.67 116.66 115.96 2k4i n ARG 18 Ca 0.03 0.42 -0.48 0.00 -0.00 0.00 0.00 57.85 57.82 2k4i n ARG 18 Cb 0.18 -1.71 -0.04 0.00 0.00 0.00 0.00 32.46 30.89 2k4i n ARG 18 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 2k4i n ILE 19 N -4.01 0.52 -4.16 5.15 5.41 0.09 -4.87 119.36 117.48 2k4i n ILE 19 Ca -0.34 -0.13 -0.31 0.00 1.00 0.00 0.00 62.75 62.97 2k4i n ILE 19 Cb 0.85 -1.14 -0.08 0.00 -0.71 0.00 0.00 39.64 38.56 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 0.08 2.69 0.63 0.38 3.00 -0.50 -1.98 118.95 123.25 2k4i s ARG 20 Ca 0.76 -0.73 0.35 0.00 0.00 0.00 0.00 55.73 56.11 2k4i s ARG 20 Cb -0.79 -2.62 2.01 0.00 0.00 0.00 0.00 34.95 33.55 2k4i s ARG 20 CO 0.47 0.57 2.24 -0.07 0.00 0.00 0.00 175.30 178.51 2k4i h LEU 21 N 3.71 0.00 -8.24 2.53 3.38 -0.87 -1.22 115.31 114.60 2k4i h LEU 21 Ca -0.48 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.37 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 0.60 0.00 -0.68 -0.13 0.09 0.00 0.00 178.44 178.32 2k4i s ARG 22 N -4.39 0.61 0.27 1.13 0.52 -1.26 -4.33 118.95 111.50 2k4i s ARG 22 Ca -0.05 -1.22 0.05 0.00 -0.52 0.00 0.00 55.73 53.99 2k4i s ARG 22 Cb 0.14 0.21 0.37 0.00 0.52 0.00 0.00 34.95 36.18 2k4i s ARG 22 CO 0.47 -0.11 1.65 -1.00 0.02 0.00 0.00 175.30 176.32 2k4i h PRO 23 N 3.15 0.29 -0.16 3.54 0.13 -1.94 -3.20 132.00 133.81 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 0.66 0.69 0.00 0.41 -0.23 0.00 0.00 178.00 179.53 2k4i n GLY 24 N -0.05 3.23 3.14 1.56 0.00 -1.26 -5.03 105.19 106.78 2k4i n GLY 24 Ca -0.02 -0.38 -0.18 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.22 0.96 0.00 -0.02 0.00 -1.21 -5.04 105.19 99.67 2k4i n GLY 25 Ca 0.09 -2.06 0.01 0.00 0.00 0.00 0.00 46.02 44.05 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 -2.38 6.05 -2.00 1.61 4.81 -1.26 -4.85 118.16 120.13 2k4i n LYS 26 Ca 0.13 -0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.15 2k4i n LYS 26 Cb 0.48 -0.60 -0.03 0.00 0.02 0.00 0.00 35.03 34.90 2k4i n LYS 26 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2k4i s LYS 27 N -1.20 4.21 0.05 1.64 1.02 -1.26 -4.95 119.74 119.24 2k4i s LYS 27 Ca 0.00 2.22 0.04 0.00 0.02 0.00 0.00 55.97 58.26 2k4i s LYS 27 Cb 0.01 -3.74 -0.04 0.00 -0.52 0.00 0.00 37.83 33.55 2k4i s LYS 27 CO 0.05 -0.75 -0.05 0.15 -0.92 0.00 0.00 175.35 173.84 2k4i s LYS 28 N 3.10 2.47 0.39 1.68 1.02 -1.26 -0.12 119.74 127.01 2k4i s LYS 28 Ca 0.72 -0.82 -0.27 0.00 0.02 0.00 0.00 55.97 55.62 2k4i s LYS 28 Cb -0.36 -2.48 -0.09 0.00 -0.52 0.00 0.00 37.83 34.38 2k4i s LYS 28 CO 0.30 0.56 1.34 0.71 -0.92 0.00 0.00 175.35 177.35 2k4i s TYR 29 N -1.14 2.82 0.23 3.18 2.02 -0.84 -4.88 117.35 118.73 2k4i s TYR 29 Ca 0.21 1.37 -0.11 0.00 -0.37 0.00 0.00 57.07 58.17 2k4i s TYR 29 Cb -0.11 -3.74 -0.01 0.00 -0.40 0.00 0.00 41.96 37.70 2k4i s TYR 29 CO 0.12 -2.21 0.41 0.50 -1.57 0.00 0.00 175.55 172.80 2k4i s ARG 30 N -2.12 1.44 0.46 -0.62 3.52 -1.26 -4.28 118.95 116.09 2k4i s ARG 30 Ca 0.55 -1.27 0.27 0.00 -0.13 0.00 0.00 55.73 55.14 2k4i s ARG 30 Cb -0.40 0.43 1.33 0.00 -1.56 0.00 0.00 34.95 34.75 2k4i s ARG 30 CO 0.52 -0.58 1.77 -0.07 -0.81 0.00 0.00 175.30 176.14 2k4i h LEU 31 N 2.34 0.24 -0.81 -0.88 4.07 -1.96 0.23 115.31 118.54 2k4i h LEU 31 Ca -0.28 0.05 0.13 0.00 0.08 0.00 0.00 57.88 57.86 2k4i h LEU 31 Cb 1.25 0.02 -0.09 0.00 1.08 0.00 0.00 40.66 42.92 2k4i h LEU 31 CO 0.40 0.03 0.41 0.11 -1.08 0.00 0.00 178.44 178.30 2k4i h LYS 32 N 0.20 0.61 -0.13 1.13 1.79 -1.99 -0.38 116.57 117.80 2k4i h LYS 32 Ca 0.60 -0.04 -0.12 0.00 -2.18 0.00 0.00 60.65 58.91 2k4i h LYS 32 Cb 1.93 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 32.43 2k4i h LYS 32 CO -0.18 0.40 -0.46 0.45 -1.08 0.00 0.00 179.45 178.57 2k4i h HIS 33 N 0.62 0.39 -0.44 -1.35 3.86 -0.95 -2.86 115.15 114.41 2k4i h HIS 33 Ca 0.43 -0.12 -0.08 0.00 -1.16 0.00 0.00 60.37 59.44 2k4i h HIS 33 Cb 0.56 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.93 2k4i h HIS 33 CO -0.10 0.73 -0.07 0.82 0.86 0.00 0.00 177.93 180.17 2k4i h ILE 34 N 0.26 1.25 -0.55 2.45 2.04 -1.01 -2.43 117.51 119.52 2k4i h ILE 34 Ca 0.02 -1.09 -0.12 0.00 1.00 0.00 0.00 64.86 64.67 2k4i h ILE 34 Cb 0.92 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 2k4i h ILE 34 CO 0.08 0.38 -0.11 0.58 0.00 0.00 0.00 178.15 179.07 2k4i h VAL 35 N 0.71 1.27 0.00 1.67 2.07 -1.25 -1.07 116.25 119.65 2k4i h VAL 35 Ca 0.13 -1.27 -0.04 0.00 0.82 0.00 0.00 66.70 66.34 2k4i h VAL 35 Cb 0.53 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 2k4i h VAL 35 CO 0.03 0.45 -0.18 -0.25 0.02 0.00 0.00 177.57 177.64 2k4i h TRP 36 N 0.92 0.00 0.00 1.57 7.01 -1.31 -2.74 115.95 121.39 2k4i h TRP 36 Ca 0.14 0.00 -0.05 0.00 2.11 0.00 0.00 58.89 61.09 2k4i h TRP 36 Cb 0.68 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.74 2k4i h TRP 36 CO 0.05 0.18 -0.27 0.00 -2.79 0.00 0.00 178.44 175.60 2k4i h ALA 37 N 1.82 0.06 -0.92 2.65 0.00 -1.09 -3.35 119.26 118.43 2k4i h ALA 37 Ca -0.00 -0.62 0.17 0.00 0.00 0.00 0.00 54.91 54.46 2k4i h ALA 37 Cb 0.55 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.43 2k4i h ALA 37 CO 0.02 0.16 0.59 0.00 0.00 0.00 0.00 179.25 180.02 2k4i h ALA 38 N -0.19 1.90 -0.78 0.00 0.00 -1.18 0.71 119.26 119.72 2k4i h ALA 38 Ca -0.07 0.03 0.13 0.00 0.00 0.00 0.00 54.91 54.99 2k4i h ALA 38 Cb 0.99 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 2k4i h ALA 38 CO -0.04 -0.18 0.51 -0.97 0.00 0.00 0.00 179.25 178.57 2k4i h ASN 39 N 0.63 0.52 -0.16 0.00 -1.24 -1.61 -1.59 115.58 112.14 2k4i h ASN 39 Ca 0.48 0.02 -0.10 0.00 0.71 0.00 0.00 56.30 57.42 2k4i h ASN 39 Cb 0.88 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 39.85 2k4i h ASN 39 CO -0.23 0.29 -0.28 0.11 -1.29 0.00 0.00 177.43 176.03 2k4i h LYS 40 N 0.56 0.47 -0.70 6.67 1.79 -0.99 -3.03 116.57 121.34 2k4i h LYS 40 Ca 0.38 -0.29 0.20 0.00 -2.18 0.00 0.00 60.65 58.76 2k4i h LYS 40 Cb 0.68 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.33 2k4i h LYS 40 CO -0.14 0.89 0.56 -0.07 -1.08 0.00 0.00 179.45 179.60 2k4i h LEU 41 N 0.09 0.00 0.06 2.94 3.38 -1.12 -1.15 115.31 119.51 2k4i h LEU 41 Ca 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2k4i h LEU 41 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2k4i h LEU 41 CO 0.06 0.00 -0.03 -0.78 0.09 0.00 0.00 178.44 177.79 2k4i h ASP 42 N 0.00 -0.06 -0.42 -0.43 1.82 -1.38 0.31 116.42 116.25 2k4i h ASP 42 Ca 0.33 -0.58 0.12 0.00 -0.39 0.00 0.00 57.03 56.52 2k4i h ASP 42 Cb 1.44 0.02 -0.02 0.00 0.68 0.00 0.00 39.33 41.45 2k4i h ASP 42 CO -0.00 0.60 0.53 -0.09 -1.61 0.00 0.00 179.24 178.67 2k4i h ARG 43 N -0.79 0.00 0.02 0.28 2.43 -1.14 -1.59 114.38 113.58 2k4i h ARG 43 Ca -0.01 0.00 -0.40 0.00 -0.81 0.00 0.00 59.98 58.77 2k4i h ARG 43 Cb 0.64 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.13 2k4i h ARG 43 CO 0.01 0.00 -2.31 1.19 -1.51 0.00 0.00 179.97 177.35 2k4i n PHE 44 N -3.53 0.29 0.00 2.20 3.72 -0.99 -5.05 117.46 114.10 2k4i n PHE 44 Ca 0.08 0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.56 2k4i n PHE 44 Cb 0.70 -1.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.21 2k4i n PHE 44 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2k4i n GLY 45 N 1.81 4.41 3.49 1.37 0.00 0.10 -5.11 105.19 111.26 2k4i n GLY 45 Ca -0.45 -0.79 -0.49 0.00 0.00 0.00 0.00 46.02 44.28 2k4i n GLY 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k4i n LEU 46 N 0.00 0.12 -4.77 0.99 4.77 -0.64 -4.77 117.00 112.71 2k4i n LEU 46 Ca 0.00 1.15 -0.38 0.00 -0.03 0.00 0.00 56.01 56.74 2k4i n LEU 46 Cb 0.00 -1.07 -0.03 0.00 -2.33 0.00 0.00 43.42 40.00 2k4i n LEU 46 CO 0.00 -2.15 0.82 0.00 -1.33 0.00 0.00 177.39 174.73 2k4i s ALA 47 N -0.67 3.18 -0.29 -1.18 0.00 -1.26 -3.98 121.76 117.56 2k4i s ALA 47 Ca 0.69 0.93 0.26 0.00 0.00 0.00 0.00 51.96 53.83 2k4i s ALA 47 Cb -0.93 -3.36 0.60 0.00 0.00 0.00 0.00 23.12 19.44 2k4i s ALA 47 CO 0.56 -0.44 1.70 1.05 0.00 0.00 0.00 175.76 178.64 2k4i h GLU 48 N 2.78 0.00 0.00 0.00 4.11 -1.90 -3.08 114.58 116.50 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 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2k4i h GLU 48 CO 0.63 0.01 0.00 0.43 0.07 0.00 0.00 179.01 180.15 2k4i n SER 49 N -3.10 0.10 -0.09 3.06 7.64 -1.26 -1.66 113.62 118.31 2k4i n SER 49 Ca 0.03 0.53 0.13 0.00 1.01 0.00 0.00 58.87 60.57 2k4i n SER 49 Cb 0.48 -0.55 0.73 0.00 -1.01 0.00 0.00 64.21 63.85 2k4i n SER 49 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2k4i n LEU 50 N -1.62 0.26 -0.02 -3.43 4.77 -1.16 -3.35 117.00 112.45 2k4i n LEU 50 Ca 0.02 -0.10 0.15 0.00 -0.03 0.00 0.00 56.01 56.05 2k4i n LEU 50 Cb 0.13 -0.01 0.88 0.00 -2.33 0.00 0.00 43.42 42.09 2k4i n LEU 50 CO 0.11 0.05 1.07 0.18 -1.33 0.00 0.00 177.39 177.46 2k4i n LEU 51 N -0.72 0.06 -1.54 2.23 4.77 -0.67 -3.23 117.00 117.91 2k4i n LEU 51 Ca 0.19 -0.02 -0.14 0.00 -0.03 0.00 0.00 56.01 56.01 2k4i n LEU 51 Cb 0.13 -0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.33 2k4i n LEU 51 CO 0.15 0.01 0.41 -1.84 -1.33 0.00 0.00 177.39 174.79 2k4i n GLU 52 N -0.92 2.73 -3.62 3.23 0.28 -1.21 -4.96 120.64 116.16 2k4i n GLU 52 Ca 0.22 -3.72 -0.04 0.00 -0.16 0.00 0.00 57.16 53.47 2k4i n GLU 52 Cb 0.11 -2.04 -0.06 0.00 1.43 0.00 0.00 31.44 30.88 2k4i n GLU 52 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 2k4i s SER 53 N -3.19 -0.73 0.17 -1.84 1.04 -1.21 -5.05 113.70 102.88 2k4i s SER 53 Ca 0.48 1.13 -0.19 0.00 0.48 0.00 0.00 55.95 57.86 2k4i s SER 53 Cb 0.41 1.41 0.09 0.00 0.10 0.00 0.00 66.02 68.03 2k4i s SER 53 CO 0.00 -0.18 1.65 0.07 0.98 0.00 0.00 173.24 175.76 2k4i h LYS 54 N 6.71 -0.09 -0.46 4.02 2.10 -1.86 -0.67 116.57 126.32 2k4i h LYS 54 Ca -0.27 0.01 0.09 0.00 -2.00 0.00 0.00 60.65 58.47 2k4i h LYS 54 Cb 1.19 0.02 -0.07 0.00 -0.90 0.00 0.00 32.23 32.47 2k4i h LYS 54 CO 0.16 -0.06 0.03 1.49 -2.00 0.00 0.00 179.45 179.07 2k4i h GLU 55 N -0.10 0.14 -0.85 0.07 4.81 -1.96 0.18 114.58 116.87 2k4i h GLU 55 Ca 0.19 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.42 2k4i h GLU 55 Cb 0.39 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.69 2k4i h GLU 55 CO -0.44 0.09 0.56 0.78 -0.73 0.00 0.00 179.01 179.27 2k4i h GLY 56 N 0.14 1.20 2.00 1.92 0.00 -1.48 -1.86 103.07 104.99 2k4i h GLY 56 Ca 0.23 -0.44 -0.08 0.00 0.00 0.00 0.00 47.33 47.04 2k4i h GLY 56 CO -0.36 0.43 -0.38 0.00 0.00 0.00 0.00 176.54 176.23 2k4i h GLN 58 N 0.00 0.75 0.00 0.00 4.15 0.15 -2.04 115.11 118.12 2k4i h GLN 58 Ca -0.00 -0.18 0.00 0.00 0.77 0.00 0.00 58.65 59.24 2k4i h GLN 58 Cb 0.85 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.44 2k4i h GLN 58 CO 0.05 0.74 0.00 0.87 -1.93 0.00 0.00 178.83 178.56 2k4i h LYS 59 N 0.63 0.00 0.23 1.69 6.56 -1.42 -2.75 116.57 121.51 2k4i h LYS 59 Ca 0.15 0.00 -0.35 0.00 -1.06 0.00 0.00 60.65 59.39 2k4i h LYS 59 Cb 0.33 0.00 0.03 0.00 -0.57 0.00 0.00 32.23 32.01 2k4i h LYS 59 CO 0.00 0.00 -1.61 0.82 -2.06 0.00 0.00 179.45 176.61 2k4i h ILE 60 N 0.00 1.13 -0.93 1.86 2.04 -1.39 -3.28 117.51 116.94 2k4i h ILE 60 Ca 0.00 -2.62 -0.00 0.00 1.00 0.00 0.00 64.86 63.24 2k4i h ILE 60 Cb 0.30 2.93 -0.05 0.00 -0.74 0.00 0.00 36.82 39.27 2k4i h ILE 60 CO 0.00 0.83 0.58 -0.07 0.00 0.00 0.00 178.15 179.49 2k4i h LEU 61 N 0.13 1.10 -1.64 1.44 3.38 -1.17 -0.35 115.31 118.20 2k4i h LEU 61 Ca -0.30 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 2k4i h LEU 61 Cb 2.15 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 42.61 2k4i h LEU 61 CO 0.24 0.83 -0.02 0.00 0.09 0.00 0.00 178.44 179.58 2k4i h THR 62 N 1.28 1.11 0.19 0.22 1.03 -1.66 0.38 112.91 115.46 2k4i h THR 62 Ca 0.34 -0.42 -0.26 0.00 -0.01 0.00 0.00 66.41 66.05 2k4i h THR 62 Cb -0.08 1.04 0.03 0.00 -1.07 0.00 0.00 68.15 68.06 2k4i h THR 62 CO -0.07 0.14 -1.13 0.58 -0.01 0.00 0.00 175.52 175.03 2k4i h VAL 63 N 0.19 1.40 0.00 0.00 2.07 -1.40 -3.29 116.25 115.22 2k4i h VAL 63 Ca 0.05 -2.60 -0.03 0.00 0.82 0.00 0.00 66.70 64.94 2k4i h VAL 63 Cb 0.18 3.10 -0.00 0.00 -1.52 0.00 0.00 31.29 33.05 2k4i h VAL 63 CO 0.01 0.76 -0.14 -0.07 0.02 0.00 0.00 177.57 178.15 2k4i h LEU 64 N -0.10 0.00 0.30 2.57 3.38 -0.81 -3.20 115.31 117.45 2k4i h LEU 64 Ca -0.20 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 2k4i h LEU 64 Cb 1.89 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.61 2k4i h LEU 64 CO 0.21 0.14 -0.46 -0.78 0.09 0.00 0.00 178.44 177.64 2k4i h ASP 65 N 0.00 -1.31 0.77 -0.43 3.58 -0.31 -1.24 116.42 117.48 2k4i h ASP 65 Ca -0.00 0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.57 2k4i h ASP 65 Cb 0.82 0.46 0.00 0.00 1.72 0.00 0.00 39.33 42.33 2k4i h ASP 65 CO 0.02 -0.55 0.00 1.55 -2.88 0.00 0.00 179.24 177.38 2k4i h PRO 66 N -0.80 0.00 0.00 0.28 0.13 -1.70 -2.52 132.00 127.38 2k4i h PRO 66 Ca -0.03 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.08 2k4i h PRO 66 Cb 0.73 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.86 2k4i h PRO 66 CO -0.14 0.00 -0.05 0.52 -0.23 0.00 0.00 178.00 178.10 2k4i h MET 67 N 0.00 0.00 0.67 0.86 2.86 -1.35 -3.33 114.93 114.65 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 0.39 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 2k4i h MET 67 CO 0.00 0.05 -0.44 0.28 1.06 0.00 0.00 176.91 177.86 2k4i h VAL 68 N 0.00 0.12 0.00 -2.22 2.07 -0.79 0.17 116.25 115.60 2k4i h VAL 68 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2k4i h VAL 68 Cb 1.04 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 2k4i h VAL 68 CO 0.01 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 176.79 2k4i n PRO 69 N -5.57 0.48 -2.83 1.57 -0.04 -1.25 -2.76 135.00 124.60 2k4i n PRO 69 Ca -0.13 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.33 2k4i n PRO 69 Cb 0.45 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.01 1.26 -4.04 0.52 -2.24 -0.75 -5.10 114.28 102.92 2k4i n THR 70 Ca 0.12 -2.93 -0.14 0.00 -2.27 0.00 0.00 64.05 58.82 2k4i n THR 70 Cb 0.06 1.28 -0.03 0.00 -2.10 0.00 0.00 70.33 69.54 2k4i n THR 70 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2k4i s GLY 71 N -3.78 1.38 0.00 3.38 0.00 0.53 -4.88 107.32 103.95 2k4i s GLY 71 Ca 0.27 -1.43 0.00 0.00 0.00 0.00 0.00 44.72 43.56 2k4i s GLY 71 CO -0.04 -0.90 0.00 -1.14 0.00 0.00 0.00 173.10 171.02 2k4i n SER 72 N -1.54 1.82 -0.37 1.64 3.41 -1.26 -4.89 113.62 112.44 2k4i n SER 72 Ca -0.01 -0.99 0.04 0.00 -0.26 0.00 0.00 58.87 57.65 2k4i n SER 72 Cb 0.61 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.75 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 1.09 0.00 4.33 4.11 -1.99 0.35 114.58 122.47 2k4i h GLU 73 Ca 0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 59.36 2k4i h GLU 73 Cb 0.00 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.00 2k4i h GLU 73 CO 0.00 0.72 0.00 -0.91 0.07 0.00 0.00 179.01 178.89 2k4i h ASN 74 N 1.12 0.00 0.00 3.06 2.35 -2.00 -0.72 115.58 119.39 2k4i h ASN 74 Ca 0.45 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 56.13 2k4i h ASN 74 Cb 0.27 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 2k4i h ASN 74 CO -0.20 0.00 -1.16 -0.11 -1.65 0.00 0.00 177.43 174.31 2k4i n LEU 75 N -2.78 1.81 -0.28 1.61 0.00 0.43 -4.48 117.00 113.32 2k4i n LEU 75 Ca -0.02 0.30 0.22 0.00 0.00 0.00 0.00 56.01 56.51 2k4i n LEU 75 Cb 0.08 -0.70 0.53 0.00 0.00 0.00 0.00 43.42 43.34 2k4i n LEU 75 CO 0.17 -0.17 1.23 0.11 0.00 0.00 0.00 177.39 178.73 2k4i h LYS 76 N -0.88 0.35 -0.97 1.96 1.57 -0.44 0.12 116.57 118.28 2k4i h LYS 76 Ca -0.12 -0.02 0.12 0.00 -1.87 0.00 0.00 60.65 58.76 2k4i h LYS 76 Cb 1.00 -0.08 -0.08 0.00 0.08 0.00 0.00 32.23 33.15 2k4i h LYS 76 CO -0.07 0.23 0.60 0.77 -0.57 0.00 0.00 179.45 180.41 2k4i h SER 77 N 0.36 0.87 -0.07 0.86 0.02 -1.34 -0.98 113.55 113.28 2k4i h SER 77 Ca 0.52 0.05 -0.17 0.00 -0.84 0.00 0.00 61.79 61.35 2k4i h SER 77 Cb 1.38 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.79 2k4i h SER 77 CO -0.20 0.46 -0.55 0.25 -1.14 0.00 0.00 176.83 175.65 2k4i h LEU 78 N 0.95 0.74 -1.18 5.07 5.85 -0.99 -2.27 115.31 123.47 2k4i h LEU 78 Ca 0.48 -0.40 0.07 0.00 0.84 0.00 0.00 57.88 58.88 2k4i h LEU 78 Cb 0.48 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.24 2k4i h LEU 78 CO -0.27 1.14 0.57 0.15 -0.34 0.00 0.00 178.44 179.70 2k4i h PHE 79 N 0.51 0.99 0.10 1.25 3.57 -0.95 0.13 116.94 122.55 2k4i h PHE 79 Ca 0.01 0.03 -0.28 0.00 3.53 0.00 0.00 57.97 61.25 2k4i h PHE 79 Cb 1.12 -0.33 0.02 0.00 2.79 0.00 0.00 35.95 39.55 2k4i h PHE 79 CO 0.05 0.50 -1.19 -0.91 -2.23 0.00 0.00 178.31 174.53 2k4i h ASN 80 N 0.96 0.74 -0.40 0.41 4.21 -1.34 -3.28 115.58 116.88 2k4i h ASN 80 Ca 0.39 -0.69 -0.03 0.00 1.21 0.00 0.00 56.30 57.18 2k4i h ASN 80 Cb 0.27 -0.23 -0.02 0.00 -1.12 0.00 0.00 38.32 37.21 2k4i h ASN 80 CO -0.15 1.50 0.13 0.74 -1.29 0.00 0.00 177.43 178.36 2k4i h THR 81 N 0.24 1.21 -0.43 2.81 2.02 -0.78 -3.08 112.91 114.90 2k4i h THR 81 Ca -0.16 -0.70 0.09 0.00 0.77 0.00 0.00 66.41 66.40 2k4i h THR 81 Cb 1.87 0.92 -0.09 0.00 -1.74 0.00 0.00 68.15 69.11 2k4i h THR 81 CO 0.22 0.25 -0.16 0.58 0.37 0.00 0.00 175.52 176.78 2k4i h VAL 82 N 0.50 0.47 -0.92 3.16 2.07 -0.85 -0.36 116.25 120.32 2k4i h VAL 82 Ca 0.13 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.90 2k4i h VAL 82 Cb 0.26 0.47 -0.13 0.00 -1.52 0.00 0.00 31.29 30.36 2k4i h VAL 82 CO -0.00 0.00 0.40 0.00 0.02 0.00 0.00 177.57 177.99 2k4i h VAL 84 N 0.35 1.09 0.38 0.00 2.07 -1.10 -1.12 116.25 117.91 2k4i h VAL 84 Ca 0.60 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.87 2k4i h VAL 84 Cb 1.21 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 2k4i h VAL 84 CO -0.58 0.09 -0.18 0.40 0.02 0.00 0.00 177.57 177.32 2k4i h ILE 85 N 0.26 0.63 -0.74 4.57 1.08 -0.50 -2.77 117.51 120.05 2k4i h ILE 85 Ca 0.08 -0.28 0.14 0.00 -0.39 0.00 0.00 64.86 64.41 2k4i h ILE 85 Cb 0.03 0.77 -0.10 0.00 -3.07 0.00 0.00 36.82 34.46 2k4i h ILE 85 CO -0.01 0.05 0.27 -0.25 -0.69 0.00 0.00 178.15 177.52 2k4i h TRP 86 N -0.66 0.45 0.06 1.37 7.01 -0.87 -1.94 115.95 121.38 2k4i h TRP 86 Ca -0.05 0.04 0.03 0.00 2.11 0.00 0.00 58.89 61.01 2k4i h TRP 86 Cb 0.48 -0.09 -0.05 0.00 -2.10 0.00 0.00 29.16 27.40 2k4i h TRP 86 CO -0.01 0.04 -0.34 0.00 -2.79 0.00 0.00 178.44 175.33 2k4i h ILE 88 N -0.53 0.61 -0.00 0.00 2.04 -1.08 0.28 117.51 118.83 2k4i h ILE 88 Ca 0.04 -0.17 -0.16 0.00 1.00 0.00 0.00 64.86 65.57 2k4i h ILE 88 Cb 0.59 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 2k4i h ILE 88 CO -0.24 0.09 -0.78 0.45 0.00 0.00 0.00 178.15 177.68 2k4i h HIS 89 N 0.50 0.00 -0.36 1.37 3.86 -0.81 -3.09 115.15 116.62 2k4i h HIS 89 Ca 0.56 -0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.73 2k4i h HIS 89 Cb 1.25 -0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.70 2k4i h HIS 89 CO -0.00 0.78 0.04 0.00 0.86 0.00 0.00 177.93 179.61 2k4i n ALA 90 N -2.39 3.41 -3.37 2.45 0.00 0.86 -4.70 120.51 116.77 2k4i n ALA 90 Ca -0.01 -1.16 -0.17 0.00 0.00 0.00 0.00 53.44 52.11 2k4i n ALA 90 Cb 0.75 -1.09 0.08 0.00 0.00 0.00 0.00 19.45 19.18 2k4i n ALA 90 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2k4i n GLU 91 N 0.26 -4.51 -4.58 0.00 1.02 -0.91 -5.02 120.64 106.90 2k4i n GLU 91 Ca 0.18 0.84 -0.22 0.00 -0.02 0.00 0.00 57.16 57.94 2k4i n GLU 91 Cb 0.84 -5.79 -0.15 0.00 -0.02 0.00 0.00 31.44 26.31 2k4i n GLU 91 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2k4i s GLU 92 N -4.97 1.19 -0.05 3.49 0.41 -0.45 -5.01 118.70 113.31 2k4i s GLU 92 Ca 0.21 -0.44 0.04 0.00 -0.41 0.00 0.00 54.97 54.37 2k4i s GLU 92 Cb -0.03 -1.10 -0.02 0.00 -1.78 0.00 0.00 34.13 31.19 2k4i s GLU 92 CO 0.74 0.22 -0.18 -1.59 -0.49 0.00 0.00 175.26 173.96 2k4i s LYS 93 N -0.06 2.48 0.02 1.61 -2.85 -1.26 -3.73 119.74 115.96 2k4i s LYS 93 Ca 0.00 -0.76 -0.01 0.00 -1.00 0.00 0.00 55.97 54.20 2k4i s LYS 93 Cb -0.08 -2.31 -0.02 0.00 -2.06 0.00 0.00 37.83 33.37 2k4i s LYS 93 CO 0.00 0.56 -0.00 0.14 0.10 0.00 0.00 175.35 176.15 2k4i s VAL 94 N -0.59 0.12 0.00 1.79 -7.23 -1.26 -4.99 120.40 108.24 2k4i s VAL 94 Ca 0.08 -0.99 0.06 0.00 -1.81 0.00 0.00 61.98 59.33 2k4i s VAL 94 Cb -0.11 -0.45 -0.24 0.00 0.56 0.00 0.00 36.38 36.15 2k4i s VAL 94 CO 0.01 -0.54 0.83 0.11 -0.31 0.00 0.00 175.10 175.20 2k4i h LYS 95 N 4.39 0.07 0.00 4.82 6.56 -1.94 -3.39 116.57 127.08 2k4i h LYS 95 Ca -0.32 -0.13 -0.26 0.00 -1.06 0.00 0.00 60.65 58.88 2k4i h LYS 95 Cb 1.20 0.05 -0.07 0.00 -0.57 0.00 0.00 32.23 32.84 2k4i h LYS 95 CO 0.44 0.80 -0.25 -0.40 -2.06 0.00 0.00 179.45 177.98 2k4i n ASP 96 N -3.24 -0.30 0.05 0.86 5.68 -1.26 -1.41 116.55 116.93 2k4i n ASP 96 Ca -0.14 -2.19 -0.20 0.00 -0.50 0.00 0.00 54.79 51.76 2k4i n ASP 96 Cb 1.02 0.89 -0.12 0.00 -1.14 0.00 0.00 41.12 41.77 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 1.36 -0.75 2.12 2.02 -1.41 -3.22 112.91 114.59 2k4i h THR 97 Ca -0.13 -2.32 0.14 0.00 0.77 0.00 0.00 66.41 64.87 2k4i h THR 97 Cb 0.65 2.69 -0.05 0.00 -1.74 0.00 0.00 68.15 69.70 2k4i h THR 97 CO 0.19 0.69 0.50 -0.33 0.37 0.00 0.00 175.52 176.94 2k4i h GLU 98 N 0.10 0.44 -0.26 6.66 4.39 -1.86 -1.17 114.58 122.89 2k4i h GLU 98 Ca -0.14 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.44 2k4i h GLU 98 Cb 1.67 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 30.21 2k4i h GLU 98 CO 0.19 0.29 -0.19 0.78 -1.16 0.00 0.00 179.01 178.92 2k4i h GLY 99 N 0.46 0.63 1.00 -3.84 0.00 -1.97 -2.75 103.07 96.60 2k4i h GLY 99 Ca 0.37 -0.62 -0.04 0.00 0.00 0.00 0.00 47.33 47.04 2k4i h GLY 99 CO -0.12 0.56 0.19 0.00 0.00 0.00 0.00 176.54 177.16 2k4i h ALA 100 N 0.70 0.75 -0.07 3.60 0.00 -1.31 -2.26 119.26 120.67 2k4i h ALA 100 Ca 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2k4i h ALA 100 Cb 0.73 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2k4i h ALA 100 CO 0.05 0.41 -0.02 -0.22 0.00 0.00 0.00 179.25 179.47 2k4i h LYS 101 N 0.80 0.09 -0.12 0.00 3.64 -1.26 -1.69 116.57 118.04 2k4i h LYS 101 Ca 0.19 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.40 2k4i h LYS 101 Cb 0.27 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.08 2k4i h LYS 101 CO -0.01 0.12 -0.53 1.96 -2.27 0.00 0.00 179.45 178.73 2k4i h GLN 102 N 0.10 0.57 0.09 1.90 4.20 -1.13 -2.36 115.11 118.47 2k4i h GLN 102 Ca 0.02 -0.45 -0.00 0.00 0.06 0.00 0.00 58.65 58.28 2k4i h GLN 102 Cb 0.10 0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.97 2k4i h GLN 102 CO 0.00 1.08 -0.04 0.82 -0.67 0.00 0.00 178.83 180.01 2k4i h ILE 103 N 0.19 0.98 -0.22 2.54 2.04 -0.93 -2.03 117.51 120.08 2k4i h ILE 103 Ca -0.03 -0.26 0.02 0.00 1.00 0.00 0.00 64.86 65.59 2k4i h ILE 103 Cb 1.17 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 38.37 2k4i h ILE 103 CO 0.11 0.06 0.08 0.58 0.00 0.00 0.00 178.15 178.99 2k4i h VAL 104 N -0.24 0.96 -0.12 1.67 2.07 -1.41 -1.72 116.25 117.46 2k4i h VAL 104 Ca -0.01 -0.06 0.05 0.00 0.82 0.00 0.00 66.70 67.49 2k4i h VAL 104 Cb 0.20 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 30.67 2k4i h VAL 104 CO 0.02 0.03 -0.25 -0.09 0.02 0.00 0.00 177.57 177.31 2k4i h ARG 105 N 0.19 -0.30 -0.40 1.57 2.43 -1.35 -0.18 114.38 116.33 2k4i h ARG 105 Ca 0.09 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.35 2k4i h ARG 105 Cb 0.05 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 2k4i h ARG 105 CO -0.09 -0.20 0.28 -0.09 -1.51 0.00 0.00 179.97 178.35 2k4i h ARG 106 N -0.32 0.26 0.00 0.20 9.65 -1.17 -0.44 114.38 122.57 2k4i h ARG 106 Ca 0.10 -0.02 -0.12 0.00 -1.10 0.00 0.00 59.98 58.84 2k4i h ARG 106 Cb 0.46 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.97 2k4i h ARG 106 CO -0.30 0.17 -0.56 0.45 2.80 0.00 0.00 179.97 182.53 2k4i h HIS 107 N 0.27 0.00 0.12 2.20 3.86 -0.14 -2.96 115.15 118.50 2k4i h HIS 107 Ca 0.18 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.23 2k4i h HIS 107 Cb 0.37 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.86 2k4i h HIS 107 CO -0.00 0.56 -0.70 -0.07 0.86 0.00 0.00 177.93 178.58 2k4i h LEU 108 N 0.00 0.41 -1.61 2.43 3.38 0.17 -3.30 115.31 116.79 2k4i h LEU 108 Ca -0.01 -0.96 0.11 0.00 0.09 0.00 0.00 57.88 57.12 2k4i h LEU 108 Cb 1.06 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.64 2k4i h LEU 108 CO 0.07 1.34 0.44 0.58 0.09 0.00 0.00 178.44 180.96 2k4i h VAL 109 N -0.45 0.87 0.00 1.22 2.07 -1.38 0.31 116.25 118.90 2k4i h VAL 109 Ca -0.12 -0.15 -0.05 0.00 0.82 0.00 0.00 66.70 67.20 2k4i h VAL 109 Cb 1.56 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 2k4i h VAL 109 CO 0.13 0.08 -0.23 0.00 0.02 0.00 0.00 177.57 177.57 2k4i h ALA 110 N 1.68 1.34 0.00 1.67 0.00 -1.60 -2.25 119.26 120.10 2k4i h ALA 110 Ca 0.31 -0.21 -0.30 0.00 0.00 0.00 0.00 54.91 54.71 2k4i h ALA 110 Cb 0.62 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 2k4i h ALA 110 CO -0.09 0.29 -1.95 -1.91 0.00 0.00 0.00 179.25 175.58 2k4i n GLU 111 N -3.86 0.65 -0.90 0.00 4.07 0.35 -4.15 120.64 116.81 2k4i n GLU 111 Ca -0.02 0.15 -0.13 0.00 -0.06 0.00 0.00 57.16 57.10 2k4i n GLU 111 Cb 0.32 -1.68 0.18 0.00 -0.06 0.00 0.00 31.44 30.21 2k4i n GLU 111 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 2k4i n THR 112 N -2.88 2.60 -1.99 6.31 -1.04 0.83 -4.12 114.28 113.99 2k4i n THR 112 Ca -0.22 -1.41 0.05 0.00 -2.04 0.00 0.00 64.05 60.43 2k4i n THR 112 Cb 1.05 -0.53 0.09 0.00 -1.82 0.00 0.00 70.33 69.13 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 -0.49 2.72 1.14 3.41 0.00 -0.87 -4.75 105.19 106.35 2k4i n GLY 113 Ca 0.41 -0.93 0.03 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.30 0.11 -2.79 2.61 5.66 -1.26 -4.90 114.28 113.41 2k4i n THR 114 Ca 0.11 -0.79 -0.10 0.00 -3.05 0.00 0.00 64.05 60.21 2k4i n THR 114 Cb 0.89 0.78 0.08 0.00 -1.55 0.00 0.00 70.33 70.53 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 0.26 -0.43 -1.51 1.79 0.00 -1.26 -4.96 120.51 114.40 2k4i n ALA 115 Ca 0.05 -1.70 0.00 0.00 0.00 0.00 0.00 53.44 51.79 2k4i n ALA 115 Cb 0.99 -1.13 0.20 0.00 0.00 0.00 0.00 19.45 19.51 2k4i n ALA 115 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2k4i n GLU 116 N 0.34 1.73 -1.02 0.00 0.00 -1.26 -4.66 120.64 115.78 2k4i n GLU 116 Ca 0.08 -3.23 -0.13 0.00 0.00 0.00 0.00 57.16 53.88 2k4i n GLU 116 Cb 0.70 -1.73 0.23 0.00 0.00 0.00 0.00 31.44 30.63 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 -1.12 2.90 -2.77 5.31 4.81 -1.26 -4.94 118.16 121.09 2k4i n LYS 117 Ca 0.27 -2.76 -0.06 0.00 -0.87 0.00 0.00 58.31 54.89 2k4i n LYS 117 Cb 0.89 -2.11 0.01 0.00 0.02 0.00 0.00 35.03 33.84 2k4i n LYS 117 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 2k4i n MET 118 N -0.49 -2.05 0.17 1.64 0.00 -1.26 -4.92 117.12 110.20 2k4i n MET 118 Ca 0.45 1.91 0.02 0.00 0.00 0.00 0.00 57.70 60.08 2k4i n MET 118 Cb 1.42 -5.36 0.30 0.00 0.00 0.00 0.00 33.22 29.59 2k4i n MET 118 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 175.97 174.97 2k4i h PRO 119 N 1.63 0.00 -5.45 2.12 0.13 -1.92 -3.48 132.00 125.03 2k4i h PRO 119 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 2k4i h PRO 119 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 2k4i h PRO 119 CO 0.20 0.45 -0.07 0.43 -0.23 0.00 0.00 178.00 178.78 2k4i n SER 120 N -3.90 -7.63 0.00 1.44 7.64 -1.26 -4.94 113.62 104.97 2k4i n SER 120 Ca -0.01 -0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.75 2k4i n SER 120 Cb 0.49 -5.10 0.00 0.00 -1.01 0.00 0.00 64.21 58.59 2k4i n SER 120 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2k4i n THR 121 N -1.81 0.00 -3.70 0.44 -2.24 -1.26 -5.12 114.28 100.59 2k4i n THR 121 Ca -0.02 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.46 2k4i n THR 121 Cb 0.51 -0.05 -0.04 0.00 -2.10 0.00 0.00 70.33 68.65 2k4i n THR 121 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2k4i s SER 122 N -2.14 6.44 0.14 3.42 0.15 -1.26 -5.11 113.70 115.35 2k4i s SER 122 Ca 0.00 0.50 0.03 0.00 0.70 0.00 0.00 55.95 57.18 2k4i s SER 122 Cb 0.00 -2.05 -0.04 0.00 -1.71 0.00 0.00 66.02 62.22 2k4i s SER 122 CO 0.00 0.03 0.23 0.00 1.20 0.00 0.00 173.24 174.70 2k4i s ARG 123 N -2.85 3.28 -0.07 5.44 1.70 -1.26 -5.06 118.95 120.12 2k4i s ARG 123 Ca 0.40 -0.66 -0.30 0.00 -0.47 0.00 0.00 55.73 54.70 2k4i s ARG 123 Cb -0.12 -2.88 -0.04 0.00 -0.57 0.00 0.00 34.95 31.34 2k4i s ARG 123 CO 0.26 0.52 1.50 -1.25 -1.08 0.00 0.00 175.30 175.26 2k4i s PRO 124 N -3.11 4.21 -0.24 3.89 0.04 -1.26 -4.90 135.00 133.63 2k4i s PRO 124 Ca 0.33 2.01 0.03 0.00 0.04 0.00 0.00 61.00 63.41 2k4i s PRO 124 Cb -0.11 -3.85 0.38 0.00 0.04 0.00 0.00 34.50 30.96 2k4i s PRO 124 CO 0.27 -0.76 1.49 -2.37 0.04 0.00 0.00 177.00 175.66 2k4i n THR 125 N 5.30 2.18 -1.47 1.26 5.66 -1.26 -4.97 114.28 120.98 2k4i n THR 125 Ca 0.16 -1.05 -0.36 0.00 -3.05 0.00 0.00 64.05 59.74 2k4i n THR 125 Cb 0.43 -0.68 0.07 0.00 -1.55 0.00 0.00 70.33 68.61 2k4i n THR 125 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k4i n ALA 126 N -0.36 -0.04 -1.05 1.79 0.00 -1.26 -5.00 120.51 114.59 2k4i n ALA 126 Ca 0.32 -0.12 -0.16 0.00 0.00 0.00 0.00 53.44 53.48 2k4i n ALA 126 Cb 1.13 -2.12 0.21 0.00 0.00 0.00 0.00 19.45 18.66 2k4i n ALA 126 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2k4i n PRO 127 N -1.58 -2.80 -0.07 0.00 -0.04 -1.26 -5.05 135.00 124.20 2k4i n PRO 127 Ca 0.13 -1.47 -0.15 0.00 -0.04 0.00 0.00 63.50 61.98 2k4i n PRO 127 Cb 0.49 -1.37 -0.05 0.00 -0.04 0.00 0.00 33.50 32.53 2k4i n PRO 127 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2k4i n SER 128 N -4.57 1.31 -4.92 3.54 7.64 -1.26 -5.03 113.62 110.33 2k4i n SER 128 Ca 0.13 0.22 -0.29 0.00 1.01 0.00 0.00 58.87 59.94 2k4i n SER 128 Cb 0.49 -0.52 -0.04 0.00 -1.01 0.00 0.00 64.21 63.13 2k4i n SER 128 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2k4i s SER 129 N -6.38 6.27 -0.43 6.43 0.01 -1.26 -5.08 113.70 113.26 2k4i s SER 129 Ca -0.22 0.19 0.07 0.00 1.31 0.00 0.00 55.95 57.30 2k4i s SER 129 Cb 0.07 -1.89 0.18 0.00 0.21 0.00 0.00 66.02 64.59 2k4i s SER 129 CO 0.29 0.11 0.60 -1.83 0.41 0.00 0.00 173.24 172.82 2k4i s GLU 130 N -2.85 0.87 -0.23 12.44 1.03 -1.26 -5.13 118.70 123.57 2k4i s GLU 130 Ca 0.34 -0.69 -0.06 0.00 0.03 0.00 0.00 54.97 54.59 2k4i s GLU 130 Cb -0.12 -0.17 -0.02 0.00 -0.80 0.00 0.00 34.13 33.02 2k4i s GLU 130 CO 0.28 -1.24 0.01 0.15 -1.33 0.00 0.00 175.26 173.13 2k4i s LYS 131 N 1.40 3.54 0.42 -4.83 -0.14 -1.26 -5.09 119.74 113.78 2k4i s LYS 131 Ca 0.21 -0.54 0.05 0.00 -1.36 0.00 0.00 55.97 54.33 2k4i s LYS 131 Cb -0.05 -3.16 -0.02 0.00 -1.68 0.00 0.00 37.83 32.93 2k4i s LYS 131 CO -0.06 -0.15 0.17 0.20 -0.76 0.00 0.00 175.35 174.75 2k4i s GLY 132 N 1.44 2.69 0.00 -3.33 0.00 -1.26 -5.15 107.32 101.71 2k4i s GLY 132 Ca 0.05 -1.25 0.00 0.00 0.00 0.00 0.00 44.72 43.52 2k4i s GLY 132 CO 0.01 -1.78 0.00 0.61 0.00 0.00 0.00 173.10 171.93 2k4i n GLY 133 N -0.92 -0.52 2.89 0.20 0.00 -1.26 -5.03 105.19 100.54 2k4i n GLY 133 Ca -0.04 -0.91 -0.38 0.00 0.00 0.00 0.00 46.02 44.68 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 0.00 5.40 0.00 1.61 3.02 -1.26 -5.37 115.26 118.66 2k4i n ASN 134 Ca 0.00 -3.36 0.00 0.00 -0.03 0.00 0.00 54.58 51.19 2k4i n ASN 134 Cb 0.00 -1.10 0.00 0.00 -0.61 0.00 0.00 39.78 38.07 2k4i n ASN 134 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42