#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4i n ALA 3 N 0.00 0.00 -2.68 4.61 0.00 -1.26 -5.03 120.51 116.15 2k4i n ALA 3 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 2k4i n ALA 3 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.54 2k4i n ALA 3 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2k4i n ARG 4 N -3.04 0.96 -1.60 0.00 0.63 -1.26 -5.15 116.66 107.20 2k4i n ARG 4 Ca 0.00 -1.45 0.00 0.00 -0.92 0.00 0.00 57.85 55.48 2k4i n ARG 4 Cb 0.00 0.03 0.00 0.00 0.45 0.00 0.00 32.46 32.94 2k4i n ARG 4 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 2k4i n ASN 5 N -0.68 0.00 -4.71 6.15 6.94 -1.26 -5.16 115.26 116.54 2k4i n ASN 5 Ca -0.10 -0.97 -0.34 0.00 -0.02 0.00 0.00 54.58 53.15 2k4i n ASN 5 Cb 0.80 0.00 0.11 0.00 -2.36 0.00 0.00 39.78 38.32 2k4i n ASN 5 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2k4i s SER 6 N -0.91 3.97 -0.07 0.53 1.04 -1.26 -4.83 113.70 112.17 2k4i s SER 6 Ca 0.00 2.42 -0.12 0.00 0.48 0.00 0.00 55.95 58.72 2k4i s SER 6 Cb 0.00 -2.59 -0.29 0.00 0.10 0.00 0.00 66.02 63.23 2k4i s SER 6 CO 0.00 -2.42 0.62 0.58 0.98 0.00 0.00 173.24 173.00 2k4i h VAL 7 N -0.43 0.95 -2.41 5.02 2.07 -2.02 -3.47 116.25 115.95 2k4i h VAL 7 Ca -0.48 -2.47 -0.47 0.00 0.82 0.00 0.00 66.70 64.11 2k4i h VAL 7 Cb 1.30 2.74 0.10 0.00 -1.52 0.00 0.00 31.29 33.91 2k4i h VAL 7 CO 0.49 0.81 0.16 -0.76 0.02 0.00 0.00 177.57 178.29 2k4i s LEU 8 N -7.37 2.92 0.00 2.57 1.43 -1.26 -5.00 118.68 111.97 2k4i s LEU 8 Ca -0.18 -0.29 -0.04 0.00 -1.03 0.00 0.00 54.13 52.59 2k4i s LEU 8 Cb 0.05 -1.98 0.06 0.00 0.03 0.00 0.00 46.19 44.36 2k4i s LEU 8 CO 0.82 -2.04 0.28 0.54 0.23 0.00 0.00 176.35 176.18 2k4i n ARG 9 N -3.01 -1.01 -0.04 1.70 1.74 -1.26 -4.73 116.66 110.05 2k4i n ARG 9 Ca 0.15 -0.44 -0.14 0.00 -0.77 0.00 0.00 57.85 56.66 2k4i n ARG 9 Cb 0.60 -0.35 -0.11 0.00 -1.02 0.00 0.00 32.46 31.58 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 -0.76 0.02 0.21 -0.13 0.00 -1.99 0.00 103.07 100.42 2k4i h GLY 10 Ca -0.10 -0.03 0.19 0.00 0.00 0.00 0.00 47.33 47.39 2k4i h GLY 10 CO 0.07 0.03 0.61 1.70 0.00 0.00 0.00 176.54 178.95 2k4i h LYS 11 N -0.70 0.61 0.12 4.80 3.64 -2.01 0.32 116.57 123.36 2k4i h LYS 11 Ca -0.00 -0.04 -0.20 0.00 -1.27 0.00 0.00 60.65 59.14 2k4i h LYS 11 Cb 0.75 -0.14 0.01 0.00 -0.41 0.00 0.00 32.23 32.45 2k4i h LYS 11 CO 0.00 0.40 -0.94 0.87 -2.27 0.00 0.00 179.45 177.51 2k4i h LYS 12 N 0.62 0.26 -0.89 1.90 1.79 -1.93 -3.32 116.57 115.00 2k4i h LYS 12 Ca 0.53 -0.45 0.16 0.00 -2.18 0.00 0.00 60.65 58.71 2k4i h LYS 12 Cb 1.01 0.17 -0.07 0.00 -1.58 0.00 0.00 32.23 31.76 2k4i h LYS 12 CO -0.29 1.21 0.58 0.00 -1.08 0.00 0.00 179.45 179.87 2k4i h ALA 13 N 0.03 1.92 0.84 3.86 0.00 -0.14 -0.78 119.26 124.99 2k4i h ALA 13 Ca -0.18 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 2k4i h ALA 13 Cb 1.63 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.33 2k4i h ALA 13 CO 0.11 -0.17 -0.43 0.22 0.00 0.00 0.00 179.25 178.98 2k4i h ASP 14 N 0.62 -1.04 -0.71 0.00 1.82 -1.07 0.11 116.42 116.14 2k4i h ASP 14 Ca 0.46 0.04 0.05 0.00 -0.39 0.00 0.00 57.03 57.19 2k4i h ASP 14 Cb 0.83 0.28 -0.04 0.00 0.68 0.00 0.00 39.33 41.08 2k4i h ASP 14 CO -0.21 -0.71 0.47 -0.33 -1.61 0.00 0.00 179.24 176.85 2k4i h GLU 15 N -1.17 0.78 -0.35 0.28 3.07 -1.52 -0.48 114.58 115.19 2k4i h GLU 15 Ca -0.11 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 58.67 2k4i h GLU 15 Cb 0.91 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.62 2k4i h GLU 15 CO 0.17 0.52 0.12 1.25 -1.40 0.00 0.00 179.01 179.67 2k4i h LEU 16 N 0.81 0.49 0.00 1.33 7.12 -0.89 -1.48 115.31 122.69 2k4i h LEU 16 Ca 0.30 -0.19 0.00 0.00 0.13 0.00 0.00 57.88 58.12 2k4i h LEU 16 Cb 0.15 -0.13 0.00 0.00 -0.53 0.00 0.00 40.66 40.15 2k4i h LEU 16 CO -0.09 0.55 0.00 -0.62 -0.13 0.00 0.00 178.44 178.15 2k4i n GLU 17 N -4.67 0.05 0.02 1.25 4.71 0.00 -3.28 120.64 118.72 2k4i n GLU 17 Ca -0.01 0.09 -0.22 0.00 -0.01 0.00 0.00 57.16 57.01 2k4i n GLU 17 Cb 0.16 -1.50 -0.14 0.00 -1.01 0.00 0.00 31.44 28.95 2k4i n GLU 17 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2k4i h ARG 18 N 0.00 0.27 -6.54 3.49 2.47 -0.42 -3.42 114.38 110.23 2k4i h ARG 18 Ca 0.00 -0.47 -0.60 0.00 -1.26 0.00 0.00 59.98 57.66 2k4i h ARG 18 Cb 0.38 0.17 0.11 0.00 -1.65 0.00 0.00 29.97 28.99 2k4i h ARG 18 CO 0.00 1.22 0.22 -0.89 0.56 0.00 0.00 179.97 181.08 2k4i n ILE 19 N -3.81 2.01 -4.16 2.04 5.41 -0.62 -4.85 119.36 115.38 2k4i n ILE 19 Ca -0.26 -0.50 -0.24 0.00 1.00 0.00 0.00 62.75 62.75 2k4i n ILE 19 Cb 0.95 -1.13 -0.06 0.00 -0.71 0.00 0.00 39.64 38.69 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 -1.65 2.69 0.20 0.38 0.52 -1.11 -1.59 118.95 118.38 2k4i s ARG 20 Ca 0.58 -1.09 0.14 0.00 -0.52 0.00 0.00 55.73 54.84 2k4i s ARG 20 Cb -0.66 -2.46 -0.03 0.00 0.52 0.00 0.00 34.95 32.31 2k4i s ARG 20 CO 0.60 0.43 1.28 -0.07 0.02 0.00 0.00 175.30 177.56 2k4i h LEU 21 N 2.06 0.00 -8.93 2.53 3.38 -0.73 -1.28 115.31 112.34 2k4i h LEU 21 Ca -0.47 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.06 2k4i h LEU 21 Cb 1.22 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.83 2k4i h LEU 21 CO 0.61 0.62 -0.70 -0.13 0.09 0.00 0.00 178.44 178.93 2k4i s ARG 22 N -2.90 1.36 0.29 1.13 0.52 -1.26 -4.22 118.95 113.87 2k4i s ARG 22 Ca 0.02 -1.64 0.07 0.00 -0.52 0.00 0.00 55.73 53.66 2k4i s ARG 22 Cb 0.08 -1.00 0.42 0.00 0.52 0.00 0.00 34.95 34.97 2k4i s ARG 22 CO 0.77 0.09 1.67 -1.00 0.02 0.00 0.00 175.30 176.85 2k4i h PRO 23 N 2.49 0.20 0.00 3.54 0.13 -1.97 -3.32 132.00 133.08 2k4i h PRO 23 Ca -0.38 -0.11 -0.08 0.00 -0.87 0.00 0.00 66.00 64.56 2k4i h PRO 23 Cb 1.22 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.18 2k4i h PRO 23 CO 0.64 0.63 -0.70 0.41 -0.23 0.00 0.00 178.00 178.75 2k4i n GLY 24 N -0.07 2.00 0.00 1.56 0.00 -1.26 -5.05 105.19 102.37 2k4i n GLY 24 Ca -0.02 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.11 1.17 2.54 -0.02 0.00 -1.25 -5.06 105.19 102.46 2k4i n GLY 25 Ca 0.08 -2.00 -0.13 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.83 2.30 -3.88 1.61 4.81 -1.26 -4.92 118.16 115.99 2k4i n LYS 26 Ca 0.00 -3.77 -0.26 0.00 -0.87 0.00 0.00 58.31 53.41 2k4i n LYS 26 Cb 0.00 -1.78 -0.17 0.00 0.02 0.00 0.00 35.03 33.10 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 -3.53 1.36 -0.01 1.64 1.02 -1.26 -5.08 119.74 113.88 2k4i s LYS 27 Ca 0.36 -0.22 0.01 0.00 0.02 0.00 0.00 55.97 56.14 2k4i s LYS 27 Cb 0.39 -1.53 -0.04 0.00 -0.52 0.00 0.00 37.83 36.13 2k4i s LYS 27 CO -0.03 -0.29 0.01 0.15 -0.92 0.00 0.00 175.35 174.27 2k4i s LYS 28 N 1.75 2.84 0.50 1.68 1.02 -1.26 0.06 119.74 126.33 2k4i s LYS 28 Ca 0.05 -0.57 -0.23 0.00 0.02 0.00 0.00 55.97 55.24 2k4i s LYS 28 Cb -0.13 -2.71 -0.07 0.00 -0.52 0.00 0.00 37.83 34.40 2k4i s LYS 28 CO -0.08 0.64 1.20 0.66 -0.92 0.00 0.00 175.35 176.85 2k4i n TYR 29 N 1.49 1.79 -3.92 3.18 4.01 -0.62 -4.92 117.16 118.16 2k4i n TYR 29 Ca -0.15 0.47 -0.09 0.00 -0.16 0.00 0.00 57.90 57.98 2k4i n TYR 29 Cb 0.53 -2.30 -0.04 0.00 -0.31 0.00 0.00 39.34 37.21 2k4i n TYR 29 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 2k4i s ARG 30 N -2.52 1.59 0.46 -0.72 3.52 -1.26 -4.11 118.95 115.91 2k4i s ARG 30 Ca 0.68 -1.12 0.30 0.00 -0.13 0.00 0.00 55.73 55.45 2k4i s ARG 30 Cb -0.46 0.52 1.38 0.00 -1.56 0.00 0.00 34.95 34.82 2k4i s ARG 30 CO 0.53 -0.68 1.71 -0.07 -0.81 0.00 0.00 175.30 175.97 2k4i h LEU 31 N 2.18 0.23 -0.85 -0.88 4.07 -1.98 0.32 115.31 118.40 2k4i h LEU 31 Ca -0.24 0.07 0.18 0.00 0.08 0.00 0.00 57.88 57.97 2k4i h LEU 31 Cb 1.25 0.05 -0.11 0.00 1.08 0.00 0.00 40.66 42.93 2k4i h LEU 31 CO 0.32 -0.04 0.38 0.11 -1.08 0.00 0.00 178.44 178.14 2k4i h LYS 32 N 0.16 0.46 0.04 1.13 1.57 -1.98 0.13 116.57 118.08 2k4i h LYS 32 Ca 0.70 -0.03 -0.26 0.00 -1.87 0.00 0.00 60.65 59.20 2k4i h LYS 32 Cb 2.28 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 34.50 2k4i h LYS 32 CO -0.24 0.31 -1.06 0.45 -0.57 0.00 0.00 179.45 178.33 2k4i h HIS 33 N 0.48 0.77 -0.37 -1.35 3.86 -0.76 -2.57 115.15 115.21 2k4i h HIS 33 Ca 0.49 -0.45 -0.06 0.00 -1.16 0.00 0.00 60.37 59.20 2k4i h HIS 33 Cb 0.83 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 29.20 2k4i h HIS 33 CO -0.13 1.29 -0.01 0.82 0.86 0.00 0.00 177.93 180.76 2k4i h ILE 34 N 0.26 1.21 -0.06 2.45 2.04 -0.99 -2.01 117.51 120.41 2k4i h ILE 34 Ca -0.12 -0.84 -0.08 0.00 1.00 0.00 0.00 64.86 64.82 2k4i h ILE 34 Cb 1.72 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 38.74 2k4i h ILE 34 CO 0.19 0.29 -0.28 0.58 0.00 0.00 0.00 178.15 178.94 2k4i h VAL 35 N 0.55 1.44 0.00 1.67 2.07 -0.84 -2.82 116.25 118.33 2k4i h VAL 35 Ca 0.12 -1.72 -0.01 0.00 0.82 0.00 0.00 66.70 65.91 2k4i h VAL 35 Cb 0.36 2.39 -0.00 0.00 -1.52 0.00 0.00 31.29 32.52 2k4i h VAL 35 CO 0.01 0.49 -0.03 -0.25 0.02 0.00 0.00 177.57 177.81 2k4i h TRP 36 N -0.24 0.00 0.13 1.57 7.01 -1.33 -0.38 115.95 122.71 2k4i h TRP 36 Ca -0.02 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.97 2k4i h TRP 36 Cb 0.93 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.99 2k4i h TRP 36 CO 0.14 0.03 -0.06 0.00 -2.79 0.00 0.00 178.44 175.75 2k4i h ALA 37 N 1.97 -0.18 -0.86 2.65 0.00 -1.31 -3.05 119.26 118.49 2k4i h ALA 37 Ca -0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2k4i h ALA 37 Cb 0.12 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 2k4i h ALA 37 CO 0.00 -0.18 0.53 0.00 0.00 0.00 0.00 179.25 179.60 2k4i h ALA 38 N -0.81 1.31 -0.56 0.00 0.00 -1.34 -1.67 119.26 116.19 2k4i h ALA 38 Ca -0.02 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.82 2k4i h ALA 38 Cb 0.31 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2k4i h ALA 38 CO 0.03 0.60 0.37 -0.91 0.00 0.00 0.00 179.25 179.34 2k4i h ASN 39 N 1.18 0.61 0.36 0.00 -0.26 -1.19 -0.47 115.58 115.81 2k4i h ASN 39 Ca 0.31 -0.01 -0.23 0.00 -0.56 0.00 0.00 56.30 55.81 2k4i h ASN 39 Cb -0.07 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 37.05 2k4i h ASN 39 CO -0.06 0.44 -0.97 0.11 -1.06 0.00 0.00 177.43 175.89 2k4i h LYS 40 N 0.72 0.40 0.35 0.81 1.79 -1.24 -3.27 116.57 116.13 2k4i h LYS 40 Ca 0.21 -0.44 -0.02 0.00 -2.18 0.00 0.00 60.65 58.22 2k4i h LYS 40 Cb -0.03 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 2k4i h LYS 40 CO -0.05 1.11 -0.17 -0.07 -1.08 0.00 0.00 179.45 179.19 2k4i h LEU 41 N 0.22 -0.40 -1.00 2.94 3.38 -0.60 0.36 115.31 120.21 2k4i h LEU 41 Ca -0.08 -0.14 0.34 0.00 0.09 0.00 0.00 57.88 58.09 2k4i h LEU 41 Cb 1.61 0.10 -0.16 0.00 0.09 0.00 0.00 40.66 42.30 2k4i h LEU 41 CO 0.17 -0.05 0.54 -0.78 0.09 0.00 0.00 178.44 178.40 2k4i h ASP 42 N -0.80 0.42 0.19 -0.43 3.58 -0.47 0.46 116.42 119.38 2k4i h ASP 42 Ca -0.05 0.21 -0.32 0.00 0.42 0.00 0.00 57.03 57.29 2k4i h ASP 42 Cb 0.52 0.19 0.02 0.00 1.72 0.00 0.00 39.33 41.77 2k4i h ASP 42 CO 0.08 -0.22 -1.54 -0.09 -2.88 0.00 0.00 179.24 174.58 2k4i h ARG 43 N 0.23 0.41 0.28 0.28 2.43 -1.58 -3.37 114.38 113.05 2k4i h ARG 43 Ca 0.75 -0.70 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2k4i h ARG 43 Cb 1.79 0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 31.59 2k4i h ARG 43 CO -0.66 1.33 -0.23 0.74 -1.51 0.00 0.00 179.97 179.64 2k4i h PHE 44 N 0.01 -0.61 0.00 2.20 0.04 0.27 -3.46 116.94 115.39 2k4i h PHE 44 Ca -0.30 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.47 2k4i h PHE 44 Cb 2.03 0.23 0.00 0.00 2.20 0.00 0.00 35.95 40.41 2k4i h PHE 44 CO 0.12 -0.35 0.00 0.41 -0.60 0.00 0.00 178.31 177.90 2k4i n GLY 45 N -1.36 0.00 3.82 -1.45 0.00 0.13 -5.06 105.19 101.27 2k4i n GLY 45 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 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 4.25 -0.42 0.99 1.43 -0.80 -4.94 118.68 119.19 2k4i s LEU 46 Ca 0.00 1.39 0.05 0.00 -1.03 0.00 0.00 54.13 54.54 2k4i s LEU 46 Cb 0.00 -3.77 0.56 0.00 0.03 0.00 0.00 46.19 43.01 2k4i s LEU 46 CO 0.00 -0.05 1.71 0.00 0.23 0.00 0.00 176.35 178.24 2k4i n ALA 47 N 0.35 5.22 -0.61 4.21 0.00 -1.26 -1.99 120.51 126.43 2k4i n ALA 47 Ca -0.00 -3.17 0.00 0.00 0.00 0.00 0.00 53.44 50.27 2k4i n ALA 47 Cb 0.52 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.82 2k4i n ALA 47 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2k4i n GLU 48 N -1.07 -0.88 0.31 0.00 0.28 -1.26 -4.73 120.64 113.29 2k4i n GLU 48 Ca 0.49 0.19 0.17 0.00 -0.16 0.00 0.00 57.16 57.85 2k4i n GLU 48 Cb 1.21 -4.24 0.90 0.00 1.43 0.00 0.00 31.44 30.74 2k4i n GLU 48 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2k4i h SER 49 N 0.00 0.00 0.00 -1.84 0.87 -1.97 -2.37 113.55 108.24 2k4i h SER 49 Ca 0.00 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.37 2k4i h SER 49 Cb 0.37 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.30 2k4i h SER 49 CO 0.00 0.00 -1.63 0.18 -0.53 0.00 0.00 176.83 174.85 2k4i n LEU 50 N -3.06 1.11 -0.37 2.23 4.77 -1.26 -4.61 117.00 115.81 2k4i n LEU 50 Ca -0.01 0.11 0.31 0.00 -0.03 0.00 0.00 56.01 56.39 2k4i n LEU 50 Cb 0.33 -0.34 0.58 0.00 -2.33 0.00 0.00 43.42 41.65 2k4i n LEU 50 CO 0.17 0.30 1.14 0.25 -1.33 0.00 0.00 177.39 177.91 2k4i h LEU 51 N -0.35 0.35 -3.39 2.23 6.46 -1.82 1.78 115.31 120.56 2k4i h LEU 51 Ca -0.28 0.20 -0.36 0.00 -0.12 0.00 0.00 57.88 57.31 2k4i h LEU 51 Cb 1.27 0.18 -0.20 0.00 -0.73 0.00 0.00 40.66 41.19 2k4i h LEU 51 CO -0.16 -0.27 0.47 -1.84 -0.62 0.00 0.00 178.44 176.02 2k4i n GLU 52 N -5.01 1.89 -3.70 1.25 0.28 -0.91 -4.86 120.64 109.59 2k4i n GLU 52 Ca 0.36 -1.99 -0.14 0.00 -0.16 0.00 0.00 57.16 55.23 2k4i n GLU 52 Cb 1.25 -1.78 -0.09 0.00 1.43 0.00 0.00 31.44 32.26 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 -0.47 -0.43 0.00 -1.84 1.04 0.60 -5.05 113.70 107.56 2k4i s SER 53 Ca 0.38 0.66 0.00 0.00 0.48 0.00 0.00 55.95 57.47 2k4i s SER 53 Cb 0.31 0.71 0.00 0.00 0.10 0.00 0.00 66.02 67.14 2k4i s SER 53 CO 0.05 -0.31 0.54 1.17 0.98 0.00 0.00 173.24 175.67 2k4i n LYS 54 N 2.10 0.00 -0.28 4.02 4.81 -1.26 -1.14 118.16 126.41 2k4i n LYS 54 Ca -0.17 0.47 0.22 0.00 -0.87 0.00 0.00 58.31 57.96 2k4i n LYS 54 Cb 0.57 -1.25 0.53 0.00 0.02 0.00 0.00 35.03 34.90 2k4i n LYS 54 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2k4i h GLU 55 N 0.00 0.35 -0.20 1.64 5.08 -1.95 0.16 114.58 119.66 2k4i h GLU 55 Ca 0.00 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.19 2k4i h GLU 55 Cb 0.00 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2k4i h GLU 55 CO 0.00 0.23 -0.50 0.78 -1.00 0.00 0.00 179.01 178.52 2k4i h GLY 56 N 0.36 0.60 1.04 -3.84 0.00 -1.80 -2.96 103.07 96.46 2k4i h GLY 56 Ca 0.53 -0.66 0.11 0.00 0.00 0.00 0.00 47.33 47.31 2k4i h GLY 56 CO -0.21 0.59 0.38 0.00 0.00 0.00 0.00 176.54 177.30 2k4i h GLN 58 N 0.00 0.00 0.00 0.00 5.75 -1.50 -2.38 115.11 116.98 2k4i h GLN 58 Ca 0.18 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.68 2k4i h GLN 58 Cb 0.93 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.48 2k4i h GLN 58 CO -0.00 0.36 -0.02 1.63 -2.65 0.00 0.00 178.83 178.15 2k4i n LYS 59 N -3.69 0.15 -0.10 1.69 5.02 0.12 -3.18 118.16 118.17 2k4i n LYS 59 Ca -0.01 0.12 -0.20 0.00 -2.02 0.00 0.00 58.31 56.20 2k4i n LYS 59 Cb 0.46 -1.67 -0.11 0.00 -0.02 0.00 0.00 35.03 33.69 2k4i n LYS 59 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2k4i h ILE 60 N 0.00 0.92 -0.09 -0.18 2.04 -1.36 -3.35 117.51 115.48 2k4i h ILE 60 Ca 0.00 -2.12 0.03 0.00 1.00 0.00 0.00 64.86 63.77 2k4i h ILE 60 Cb 0.63 2.17 -0.00 0.00 -0.74 0.00 0.00 36.82 38.88 2k4i h ILE 60 CO 0.00 0.31 0.07 -0.07 0.00 0.00 0.00 178.15 178.46 2k4i h LEU 61 N -1.00 0.00 -1.42 1.44 3.38 -1.59 -0.04 115.31 116.09 2k4i h LEU 61 Ca -0.30 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.61 2k4i h LEU 61 Cb 1.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 2k4i h LEU 61 CO -0.18 0.00 -0.29 0.00 0.09 0.00 0.00 178.44 178.06 2k4i h THR 62 N 0.00 1.04 0.12 0.22 1.03 -1.70 0.26 112.91 113.88 2k4i h THR 62 Ca 0.04 -1.05 -0.33 0.00 -0.01 0.00 0.00 66.41 65.06 2k4i h THR 62 Cb 0.19 1.59 -0.01 0.00 -1.07 0.00 0.00 68.15 68.85 2k4i h THR 62 CO -0.00 0.28 -1.78 0.58 -0.01 0.00 0.00 175.52 174.59 2k4i h VAL 63 N 0.00 0.78 0.00 0.00 2.07 -1.18 -3.36 116.25 114.56 2k4i h VAL 63 Ca -0.00 -2.37 -0.02 0.00 0.82 0.00 0.00 66.70 65.13 2k4i h VAL 63 Cb 0.57 2.56 -0.00 0.00 -1.52 0.00 0.00 31.29 32.89 2k4i h VAL 63 CO 0.04 0.80 -0.11 -0.07 0.02 0.00 0.00 177.57 178.25 2k4i h LEU 64 N -0.10 0.00 0.31 2.57 3.38 -1.19 -3.25 115.31 117.03 2k4i h LEU 64 Ca -0.38 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.58 2k4i h LEU 64 Cb 1.93 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.65 2k4i h LEU 64 CO 0.07 0.11 -0.43 0.44 0.09 0.00 0.00 178.44 178.72 2k4i h ASP 65 N 0.00 -1.21 0.42 -0.43 5.19 -0.62 -1.13 116.42 118.64 2k4i h ASP 65 Ca -0.00 0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.52 2k4i h ASP 65 Cb 0.80 0.42 0.00 0.00 0.18 0.00 0.00 39.33 40.72 2k4i h ASP 65 CO 0.01 -0.52 0.00 -0.81 -3.12 0.00 0.00 179.24 174.80 2k4i n PRO 66 N -4.96 0.06 0.06 3.56 -0.04 -1.24 -2.02 135.00 130.41 2k4i n PRO 66 Ca -0.09 0.22 0.12 0.00 -0.04 0.00 0.00 63.50 63.71 2k4i n PRO 66 Cb 0.37 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.44 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 0.50 0.54 2.86 -1.33 -3.34 114.93 114.16 2k4i h MET 67 Ca 0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 2k4i h MET 67 Cb 0.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.88 2k4i h MET 67 CO 0.00 0.00 -0.24 0.28 1.06 0.00 0.00 176.91 178.01 2k4i h VAL 68 N 0.00 0.14 0.00 -2.22 2.07 -0.63 0.14 116.25 115.75 2k4i h VAL 68 Ca 0.00 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.00 2k4i h VAL 68 Cb 0.78 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 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 -5.23 0.49 -2.75 1.57 -0.04 -1.26 -2.93 135.00 124.86 2k4i n PRO 69 Ca -0.09 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.34 2k4i n PRO 69 Cb 0.29 -1.45 0.08 0.00 -0.04 0.00 0.00 33.50 32.38 2k4i n PRO 69 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2k4i n THR 70 N -0.95 0.69 -4.03 0.52 -1.04 -1.18 -5.12 114.28 103.17 2k4i n THR 70 Ca 0.10 -2.18 -0.14 0.00 -2.04 0.00 0.00 64.05 59.79 2k4i n THR 70 Cb 0.05 1.09 -0.03 0.00 -1.82 0.00 0.00 70.33 69.62 2k4i n THR 70 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k4i n GLY 71 N -0.83 2.02 2.67 3.41 0.00 0.49 -4.83 105.19 108.12 2k4i n GLY 71 Ca -0.02 -1.59 -0.13 0.00 0.00 0.00 0.00 46.02 44.28 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 -1.62 1.40 0.04 1.61 3.41 -1.26 -4.93 113.62 112.26 2k4i n SER 72 Ca -0.00 -2.03 -0.03 0.00 -0.26 0.00 0.00 58.87 56.55 2k4i n SER 72 Cb 0.58 -0.31 0.20 0.00 -0.26 0.00 0.00 64.21 64.43 2k4i n SER 72 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2k4i h GLU 73 N 0.00 0.41 -0.28 4.33 5.08 -1.98 -1.57 114.58 120.57 2k4i h GLU 73 Ca -0.19 -0.17 0.08 0.00 -1.00 0.00 0.00 59.36 58.08 2k4i h GLU 73 Cb 0.85 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 2k4i h GLU 73 CO 0.26 0.69 0.30 -0.91 -1.00 0.00 0.00 179.01 178.36 2k4i h ASN 74 N 0.35 0.00 0.00 1.42 4.21 -2.01 -0.42 115.58 119.14 2k4i h ASN 74 Ca 0.04 0.00 -0.40 0.00 1.21 0.00 0.00 56.30 57.15 2k4i h ASN 74 Cb 0.75 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 37.89 2k4i h ASN 74 CO 0.06 0.00 -2.25 -0.11 -1.29 0.00 0.00 177.43 173.84 2k4i n LEU 75 N -3.80 1.94 -0.22 1.61 0.00 -1.02 -4.29 117.00 111.22 2k4i n LEU 75 Ca 0.04 0.36 0.28 0.00 0.00 0.00 0.00 56.01 56.69 2k4i n LEU 75 Cb 0.45 -0.84 0.69 0.00 0.00 0.00 0.00 43.42 43.72 2k4i n LEU 75 CO 0.28 0.48 1.26 0.50 0.00 0.00 0.00 177.39 179.91 2k4i h LYS 76 N -1.00 0.08 0.35 1.96 3.64 -1.05 -0.78 116.57 119.77 2k4i h LYS 76 Ca -0.61 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.75 2k4i h LYS 76 Cb 1.53 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.33 2k4i h LYS 76 CO -0.37 0.05 -0.17 0.77 -2.27 0.00 0.00 179.45 177.46 2k4i h SER 77 N 0.08 -0.40 0.09 4.20 0.02 -1.28 -2.41 113.55 113.86 2k4i h SER 77 Ca 0.46 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.33 2k4i h SER 77 Cb 1.71 0.10 -0.00 0.00 0.14 0.00 0.00 62.40 64.35 2k4i h SER 77 CO -0.05 -0.19 -0.09 0.25 -1.14 0.00 0.00 176.83 175.62 2k4i h LEU 78 N -0.59 0.00 -0.70 5.07 5.85 -1.36 -2.16 115.31 121.43 2k4i h LEU 78 Ca -0.05 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.61 2k4i h LEU 78 Cb 0.43 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 2k4i h LEU 78 CO 0.08 0.09 0.20 0.15 -0.34 0.00 0.00 178.44 178.61 2k4i h PHE 79 N 0.00 1.14 -0.32 1.25 3.57 -1.05 -0.74 116.94 120.79 2k4i h PHE 79 Ca -0.00 -0.12 -0.10 0.00 3.53 0.00 0.00 57.97 61.28 2k4i h PHE 79 Cb 0.16 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 2k4i h PHE 79 CO 0.00 0.92 -0.20 -0.91 -2.23 0.00 0.00 178.31 175.89 2k4i h ASN 80 N 1.03 0.60 -0.12 0.41 4.21 -0.90 -3.03 115.58 117.78 2k4i h ASN 80 Ca 0.22 -0.19 -0.07 0.00 1.21 0.00 0.00 56.30 57.47 2k4i h ASN 80 Cb 0.33 -0.16 -0.00 0.00 -1.12 0.00 0.00 38.32 37.37 2k4i h ASN 80 CO -0.00 0.80 -0.20 0.74 -1.29 0.00 0.00 177.43 177.48 2k4i h THR 81 N 0.54 1.37 -0.46 2.81 2.02 -1.26 -3.05 112.91 114.88 2k4i h THR 81 Ca 0.08 -1.45 0.13 0.00 0.77 0.00 0.00 66.41 65.95 2k4i h THR 81 Cb 0.64 2.03 -0.02 0.00 -1.74 0.00 0.00 68.15 69.06 2k4i h THR 81 CO 0.05 0.42 0.42 0.58 0.37 0.00 0.00 175.52 177.35 2k4i h VAL 82 N -0.07 0.51 -0.11 3.16 2.07 -1.08 -0.30 116.25 120.42 2k4i h VAL 82 Ca 0.01 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.48 2k4i h VAL 82 Cb 0.77 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 2k4i h VAL 82 CO 0.05 0.00 -0.13 0.00 0.02 0.00 0.00 177.57 177.50 2k4i h VAL 84 N -0.12 1.27 -0.92 0.00 2.07 -1.14 -2.83 116.25 114.59 2k4i h VAL 84 Ca 0.01 -1.44 0.08 0.00 0.82 0.00 0.00 66.70 66.17 2k4i h VAL 84 Cb 0.67 1.28 -0.07 0.00 -1.52 0.00 0.00 31.29 31.65 2k4i h VAL 84 CO 0.03 0.48 0.57 0.40 0.02 0.00 0.00 177.57 179.08 2k4i h ILE 85 N 0.72 1.00 -0.22 4.57 1.08 -1.15 -1.16 117.51 122.35 2k4i h ILE 85 Ca 0.08 -0.34 -0.13 0.00 -0.39 0.00 0.00 64.86 64.08 2k4i h ILE 85 Cb 0.84 -0.08 -0.01 0.00 -3.07 0.00 0.00 36.82 34.50 2k4i h ILE 85 CO 0.07 0.18 -0.42 -0.25 -0.69 0.00 0.00 178.15 177.05 2k4i h TRP 86 N 0.99 0.63 0.00 1.37 7.01 -1.40 -2.67 115.95 121.88 2k4i h TRP 86 Ca 0.42 -0.18 -0.03 0.00 2.11 0.00 0.00 58.89 61.21 2k4i h TRP 86 Cb 0.28 -0.13 -0.00 0.00 -2.10 0.00 0.00 29.16 27.20 2k4i h TRP 86 CO -0.02 0.86 -0.14 0.00 -2.79 0.00 0.00 178.44 176.34 2k4i h ILE 88 N 0.00 1.63 0.00 0.00 2.04 -0.99 0.30 117.51 120.49 2k4i h ILE 88 Ca -0.00 -2.41 -0.05 0.00 1.00 0.00 0.00 64.86 63.40 2k4i h ILE 88 Cb 0.51 3.23 -0.01 0.00 -0.74 0.00 0.00 36.82 39.81 2k4i h ILE 88 CO 0.02 0.66 -0.24 0.45 0.00 0.00 0.00 178.15 179.03 2k4i h HIS 89 N -0.62 0.00 -0.22 1.37 3.86 -1.39 -3.09 115.15 115.06 2k4i h HIS 89 Ca -0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.13 2k4i h HIS 89 Cb 1.33 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.80 2k4i h HIS 89 CO 0.23 0.24 0.00 0.00 0.86 0.00 0.00 177.93 179.26 2k4i n ALA 90 N -2.17 2.47 -1.43 2.45 0.00 0.44 -4.86 120.51 117.41 2k4i n ALA 90 Ca 0.02 -0.41 -0.15 0.00 0.00 0.00 0.00 53.44 52.91 2k4i n ALA 90 Cb 0.58 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.96 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 0.16 -1.01 -3.16 0.00 2.13 -1.17 -4.98 120.64 112.61 2k4i n GLU 91 Ca 0.09 1.01 -0.35 0.00 0.66 0.00 0.00 57.16 58.57 2k4i n GLU 91 Cb 0.20 -5.13 -0.06 0.00 0.27 0.00 0.00 31.44 26.72 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 -3.24 4.14 -0.11 5.31 0.41 0.10 -5.03 118.70 120.29 2k4i s GLU 92 Ca 0.00 0.75 0.00 0.00 -0.41 0.00 0.00 54.97 55.31 2k4i s GLU 92 Cb 0.00 -2.79 -0.02 0.00 -1.78 0.00 0.00 34.13 29.54 2k4i s GLU 92 CO 0.00 0.36 -0.13 0.15 -0.49 0.00 0.00 175.26 175.15 2k4i s LYS 93 N -2.19 3.21 0.06 1.61 3.01 -1.26 -4.33 119.74 119.85 2k4i s LYS 93 Ca 0.44 -0.68 0.01 0.00 -1.01 0.00 0.00 55.97 54.73 2k4i s LYS 93 Cb -0.15 -2.59 -0.04 0.00 -1.01 0.00 0.00 37.83 34.04 2k4i s LYS 93 CO 0.20 0.31 -0.05 0.14 0.51 0.00 0.00 175.35 176.46 2k4i s VAL 94 N 0.11 0.42 -0.17 3.17 -7.23 -1.26 -5.02 120.40 110.42 2k4i s VAL 94 Ca -0.06 -1.61 0.03 0.00 -1.81 0.00 0.00 61.98 58.53 2k4i s VAL 94 Cb -0.15 -1.25 -0.22 0.00 0.56 0.00 0.00 36.38 35.32 2k4i s VAL 94 CO 0.05 -0.79 0.15 1.17 -0.31 0.00 0.00 175.10 175.37 2k4i n LYS 95 N 0.48 0.69 -2.44 4.82 4.81 -1.26 -4.74 118.16 120.52 2k4i n LYS 95 Ca -0.16 0.18 -0.04 0.00 -0.87 0.00 0.00 58.31 57.42 2k4i n LYS 95 Cb 0.59 -1.62 -0.02 0.00 0.02 0.00 0.00 35.03 34.00 2k4i n LYS 95 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2k4i n ASP 96 N -3.22 -0.22 -0.02 3.14 5.68 -1.26 -2.76 116.55 117.89 2k4i n ASP 96 Ca -0.35 -1.52 -0.16 0.00 -0.50 0.00 0.00 54.79 52.26 2k4i n ASP 96 Cb 1.05 0.47 -0.12 0.00 -1.14 0.00 0.00 41.12 41.37 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 1.26 1.56 -1.00 2.12 2.02 -1.40 -3.07 112.91 114.39 2k4i h THR 97 Ca -0.06 -2.08 0.22 0.00 0.77 0.00 0.00 66.41 65.26 2k4i h THR 97 Cb 0.29 2.87 -0.11 0.00 -1.74 0.00 0.00 68.15 69.47 2k4i h THR 97 CO 0.09 0.57 0.62 -0.33 0.37 0.00 0.00 175.52 176.83 2k4i h GLU 98 N -0.50 0.60 -0.24 6.66 5.08 -1.87 -0.41 114.58 123.90 2k4i h GLU 98 Ca -0.05 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.17 2k4i h GLU 98 Cb 1.11 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 2k4i h GLU 98 CO 0.06 0.39 -0.28 0.78 -1.00 0.00 0.00 179.01 178.97 2k4i h GLY 99 N 0.61 0.66 0.74 -3.84 0.00 -1.98 -3.02 103.07 96.25 2k4i h GLY 99 Ca 0.59 -0.70 0.05 0.00 0.00 0.00 0.00 47.33 47.27 2k4i h GLY 99 CO -0.38 0.63 0.43 0.00 0.00 0.00 0.00 176.54 177.22 2k4i h ALA 100 N 0.66 0.97 -0.82 3.60 0.00 -1.01 -1.95 119.26 120.72 2k4i h ALA 100 Ca 0.03 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.97 2k4i h ALA 100 Cb 0.84 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 2k4i h ALA 100 CO 0.07 0.14 0.53 0.87 0.00 0.00 0.00 179.25 180.86 2k4i h LYS 101 N 0.79 1.02 0.06 0.00 1.57 -1.31 0.16 116.57 118.86 2k4i h LYS 101 Ca 0.31 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2k4i h LYS 101 Cb 0.14 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.22 2k4i h LYS 101 CO -0.16 0.68 -0.03 1.96 -0.57 0.00 0.00 179.45 181.33 2k4i h GLN 102 N 1.05 -0.08 -0.62 3.15 4.20 -1.24 0.18 115.11 121.76 2k4i h GLN 102 Ca 0.32 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 59.01 2k4i h GLN 102 Cb -0.04 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 2k4i h GLN 102 CO -0.09 -0.04 0.30 0.82 -0.67 0.00 0.00 178.83 179.15 2k4i h ILE 103 N -0.09 1.21 -0.33 2.54 2.04 -1.12 -1.98 117.51 119.78 2k4i h ILE 103 Ca -0.01 -0.59 -0.02 0.00 1.00 0.00 0.00 64.86 65.24 2k4i h ILE 103 Cb 0.07 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 2k4i h ILE 103 CO 0.01 0.24 0.11 0.58 0.00 0.00 0.00 178.15 179.10 2k4i h VAL 104 N 0.85 1.20 0.50 1.67 2.07 -0.76 -2.53 116.25 119.24 2k4i h VAL 104 Ca 0.21 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 2k4i h VAL 104 Cb 0.11 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 2k4i h VAL 104 CO -0.03 0.22 -0.38 -0.09 0.02 0.00 0.00 177.57 177.31 2k4i h ARG 105 N 0.39 -0.83 -0.79 1.57 2.43 -0.45 -1.44 114.38 115.26 2k4i h ARG 105 Ca 0.11 0.06 0.23 0.00 -0.81 0.00 0.00 59.98 59.56 2k4i h ARG 105 Cb 0.23 0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 2k4i h ARG 105 CO -0.01 -0.55 0.57 0.00 -1.51 0.00 0.00 179.97 178.47 2k4i h ARG 106 N -0.86 0.00 0.00 0.20 2.47 -1.36 0.33 114.38 115.15 2k4i h ARG 106 Ca -0.05 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.50 2k4i h ARG 106 Cb 0.73 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.03 2k4i h ARG 106 CO 0.00 0.00 -0.79 0.45 0.56 0.00 0.00 179.97 180.19 2k4i h HIS 107 N 0.00 0.00 0.10 3.04 3.86 -0.87 -3.13 115.15 118.15 2k4i h HIS 107 Ca 0.37 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.45 2k4i h HIS 107 Cb 1.51 0.00 0.02 0.00 1.06 0.00 0.00 27.41 30.00 2k4i h HIS 107 CO 0.00 0.79 -0.59 -0.07 0.86 0.00 0.00 177.93 178.92 2k4i h LEU 108 N 0.00 0.35 -1.28 2.43 3.38 0.60 -3.31 115.31 117.47 2k4i h LEU 108 Ca -0.01 -0.95 0.15 0.00 0.09 0.00 0.00 57.88 57.16 2k4i h LEU 108 Cb 1.44 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 42.00 2k4i h LEU 108 CO 0.10 1.28 0.58 0.58 0.09 0.00 0.00 178.44 181.07 2k4i h VAL 109 N -0.52 0.80 -0.15 1.22 2.07 -1.35 0.31 116.25 118.63 2k4i h VAL 109 Ca -0.10 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 2k4i h VAL 109 Cb 1.45 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 2k4i h VAL 109 CO 0.11 0.12 0.07 0.00 0.02 0.00 0.00 177.57 177.89 2k4i h ALA 110 N 1.60 1.83 0.00 1.67 0.00 -1.63 0.11 119.26 122.85 2k4i h ALA 110 Ca 0.46 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.21 2k4i h ALA 110 Cb 0.79 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2k4i h ALA 110 CO -0.22 0.14 -0.92 -1.91 0.00 0.00 0.00 179.25 176.34 2k4i n GLU 111 N -4.48 0.51 0.16 0.00 2.13 0.48 -4.18 120.64 115.26 2k4i n GLU 111 Ca -0.01 0.55 0.18 0.00 0.66 0.00 0.00 57.16 58.54 2k4i n GLU 111 Cb 0.11 -1.72 0.79 0.00 0.27 0.00 0.00 31.44 30.88 2k4i n GLU 111 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 2k4i h THR 112 N -1.00 0.52 -0.18 6.31 2.02 -0.53 -0.69 112.91 119.34 2k4i h THR 112 Ca -0.19 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.05 2k4i h THR 112 Cb 0.93 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 2k4i h THR 112 CO -0.11 0.00 0.26 1.23 0.37 0.00 0.00 175.52 177.26 2k4i h GLY 113 N 0.00 0.00 1.75 2.16 0.00 -0.93 -0.37 103.07 105.67 2k4i h GLY 113 Ca 0.12 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.48 2k4i h GLY 113 CO -0.00 0.00 0.12 0.00 0.00 0.00 0.00 176.54 176.66 2k4i h THR 114 N 0.00 0.99 -0.83 4.70 1.03 -1.34 -2.18 112.91 115.27 2k4i h THR 114 Ca 0.09 -0.05 -0.58 0.00 -0.01 0.00 0.00 66.41 65.85 2k4i h THR 114 Cb 0.60 0.83 -0.39 0.00 -1.07 0.00 0.00 68.15 68.12 2k4i h THR 114 CO -0.00 0.03 -0.38 0.00 -0.01 0.00 0.00 175.52 175.16 2k4i n ALA 115 N -2.54 5.36 0.18 0.00 0.00 -0.15 -4.72 120.51 118.65 2k4i n ALA 115 Ca 0.00 -3.72 0.15 0.00 0.00 0.00 0.00 53.44 49.88 2k4i n ALA 115 Cb 0.15 -0.70 0.76 0.00 0.00 0.00 0.00 19.45 19.67 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 2.14 0.00 0.00 0.00 4.81 -1.42 -3.41 114.58 116.70 2k4i h GLU 116 Ca 0.43 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.66 2k4i h GLU 116 Cb 1.34 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.72 2k4i h GLU 116 CO 0.98 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 180.89 2k4i n LYS 117 N -4.11 0.00 -4.32 1.92 4.76 -1.26 -5.12 118.16 110.03 2k4i n LYS 117 Ca 0.02 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.24 2k4i n LYS 117 Cb 0.31 0.00 -0.12 0.00 -1.84 0.00 0.00 35.03 33.38 2k4i n LYS 117 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 2k4i s MET 118 N -1.35 1.22 0.54 1.97 -1.94 -1.26 -5.03 119.30 113.46 2k4i s MET 118 Ca 0.00 -1.34 0.33 0.00 -1.71 0.00 0.00 55.69 52.97 2k4i s MET 118 Cb 0.00 -1.32 1.37 0.00 2.01 0.00 0.00 34.83 36.89 2k4i s MET 118 CO 0.00 0.28 1.99 -1.00 -0.01 0.00 0.00 175.02 176.27 2k4i h PRO 119 N 3.47 0.00 -7.05 2.03 0.13 -1.91 -3.42 132.00 125.24 2k4i h PRO 119 Ca -0.43 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.24 2k4i h PRO 119 Cb 1.20 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.34 2k4i h PRO 119 CO 0.48 0.03 0.37 0.45 -0.23 0.00 0.00 178.00 179.10 2k4i s SER 120 N -5.74 6.59 -0.05 1.44 0.15 -1.26 -4.96 113.70 109.88 2k4i s SER 120 Ca 0.01 1.87 -0.29 0.00 0.70 0.00 0.00 55.95 58.23 2k4i s SER 120 Cb 0.09 -2.56 -0.07 0.00 -1.71 0.00 0.00 66.02 61.78 2k4i s SER 120 CO 0.55 -0.60 1.91 0.42 1.20 0.00 0.00 173.24 176.71 2k4i s THR 121 N -1.99 3.21 -0.05 6.45 -4.23 -1.26 -4.97 115.64 112.79 2k4i s THR 121 Ca 0.64 0.24 -0.02 0.00 -1.18 0.00 0.00 61.69 61.37 2k4i s THR 121 Cb -0.15 -3.18 0.04 0.00 1.34 0.00 0.00 72.50 70.55 2k4i s THR 121 CO 0.19 -0.05 0.12 -0.44 -0.54 0.00 0.00 174.62 173.90 2k4i s SER 122 N 4.87 -0.05 0.44 3.99 0.01 -1.26 -5.15 113.70 116.55 2k4i s SER 122 Ca 0.86 0.23 -0.23 0.00 1.31 0.00 0.00 55.95 58.11 2k4i s SER 122 Cb -0.37 0.12 -0.08 0.00 0.21 0.00 0.00 66.02 65.90 2k4i s SER 122 CO 0.37 -0.14 1.15 0.00 0.41 0.00 0.00 173.24 175.03 2k4i s ARG 123 N 1.16 3.86 1.03 12.44 1.70 -1.26 -5.03 118.95 132.85 2k4i s ARG 123 Ca -0.09 1.76 -0.13 0.00 -0.47 0.00 0.00 55.73 56.80 2k4i s ARG 123 Cb -0.12 -2.47 0.20 0.00 -0.57 0.00 0.00 34.95 31.99 2k4i s ARG 123 CO -0.05 -0.46 1.10 -1.25 -1.08 0.00 0.00 175.30 173.55 2k4i s PRO 124 N -2.60 0.20 0.77 3.89 0.04 -1.26 -5.04 135.00 131.01 2k4i s PRO 124 Ca 0.62 0.43 -0.11 0.00 0.04 0.00 0.00 61.00 61.97 2k4i s PRO 124 Cb -0.28 -1.72 0.05 0.00 0.04 0.00 0.00 34.50 32.59 2k4i s PRO 124 CO 0.35 -2.87 1.10 0.95 0.04 0.00 0.00 177.00 176.57 2k4i s THR 125 N -2.98 3.17 0.42 1.26 -4.23 -1.26 -5.05 115.64 106.97 2k4i s THR 125 Ca 0.66 0.38 -0.10 0.00 -1.18 0.00 0.00 61.69 61.45 2k4i s THR 125 Cb -0.18 -3.20 -0.06 0.00 1.34 0.00 0.00 72.50 70.40 2k4i s THR 125 CO 0.57 -0.50 0.79 0.00 -0.54 0.00 0.00 174.62 174.94 2k4i s ALA 126 N -3.22 3.33 0.29 3.99 0.00 -1.26 -5.04 121.76 119.85 2k4i s ALA 126 Ca 0.60 -0.20 -0.29 0.00 0.00 0.00 0.00 51.96 52.07 2k4i s ALA 126 Cb -0.13 -2.72 -0.10 0.00 0.00 0.00 0.00 23.12 20.17 2k4i s ALA 126 CO 0.53 -0.06 1.25 -1.25 0.00 0.00 0.00 175.76 176.23 2k4i s PRO 127 N -3.94 4.45 0.03 0.00 0.04 -1.26 -5.04 135.00 129.27 2k4i s PRO 127 Ca 0.51 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.61 2k4i s PRO 127 Cb -0.10 -3.13 -0.00 0.00 0.04 0.00 0.00 34.50 31.30 2k4i s PRO 127 CO 0.33 -0.08 0.00 0.43 0.04 0.00 0.00 177.00 177.71 2k4i n SER 128 N 1.33 2.03 -4.71 6.66 7.64 -1.26 -5.11 113.62 120.21 2k4i n SER 128 Ca 0.01 -1.13 -0.40 0.00 1.01 0.00 0.00 58.87 58.37 2k4i n SER 128 Cb 0.43 0.02 0.03 0.00 -1.01 0.00 0.00 64.21 63.68 2k4i n SER 128 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2k4i n SER 129 N -1.06 2.43 -4.02 6.43 2.88 -1.26 -5.02 113.62 114.00 2k4i n SER 129 Ca -0.01 1.02 -0.12 0.00 -1.33 0.00 0.00 58.87 58.43 2k4i n SER 129 Cb 0.04 -1.52 -0.12 0.00 -0.75 0.00 0.00 64.21 61.86 2k4i n SER 129 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2k4i s GLU 130 N -2.55 0.43 -0.25 -1.46 2.56 -1.26 -5.15 118.70 111.02 2k4i s GLU 130 Ca 0.67 -0.62 -0.11 0.00 0.00 0.00 0.00 54.97 54.91 2k4i s GLU 130 Cb -0.46 -0.18 0.09 0.00 2.00 0.00 0.00 34.13 35.59 2k4i s GLU 130 CO 0.53 0.03 0.58 -1.59 -0.56 0.00 0.00 175.26 174.25 2k4i s LYS 131 N -1.32 0.54 -0.30 4.30 -2.85 -1.26 -5.16 119.74 113.70 2k4i s LYS 131 Ca -0.10 1.18 -0.20 0.00 -1.00 0.00 0.00 55.97 55.85 2k4i s LYS 131 Cb -0.09 0.37 0.19 0.00 -2.06 0.00 0.00 37.83 36.24 2k4i s LYS 131 CO -0.00 -0.18 1.28 0.20 0.10 0.00 0.00 175.35 176.74 2k4i s GLY 132 N 2.15 0.40 -0.21 0.59 0.00 -1.26 -5.04 107.32 103.96 2k4i s GLY 132 Ca -0.07 3.56 0.15 0.00 0.00 0.00 0.00 44.72 48.35 2k4i s GLY 132 CO -0.17 2.36 1.43 0.61 0.00 0.00 0.00 173.10 177.34 2k4i n GLY 133 N 2.52 4.28 6.87 0.20 0.00 -1.26 -5.09 105.19 112.70 2k4i n GLY 133 Ca -0.14 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.70 -3.80 0.00 1.61 5.15 -1.26 -5.41 115.26 110.85 2k4i n ASN 134 Ca 0.25 0.02 0.00 0.00 -0.60 0.00 0.00 54.58 54.25 2k4i n ASN 134 Cb 0.93 -0.06 0.00 0.00 -0.53 0.00 0.00 39.78 40.12 2k4i n ASN 134 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66