#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 4.26 -0.40 4.61 0.00 -1.26 -5.06 121.76 123.91 2k4i s ALA 3 Ca 0.00 -1.67 0.06 0.00 0.00 0.00 0.00 51.96 50.35 2k4i s ALA 3 Cb 0.00 -0.90 0.43 0.00 0.00 0.00 0.00 23.12 22.65 2k4i s ALA 3 CO 0.00 -0.38 1.12 0.54 0.00 0.00 0.00 175.76 177.04 2k4i n ARG 4 N -1.69 3.37 0.18 0.00 1.74 -1.26 -4.75 116.66 114.25 2k4i n ARG 4 Ca 0.02 -4.37 0.00 0.00 -0.77 0.00 0.00 57.85 52.73 2k4i n ARG 4 Cb 0.63 -2.21 0.00 0.00 -1.02 0.00 0.00 32.46 29.86 2k4i n ARG 4 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2k4i n ASN 5 N -0.52 -1.69 -3.40 0.55 5.15 -1.26 -5.07 115.26 109.02 2k4i n ASN 5 Ca 0.39 0.66 -0.21 0.00 -0.60 0.00 0.00 54.58 54.82 2k4i n ASN 5 Cb 0.74 1.72 -0.09 0.00 -0.53 0.00 0.00 39.78 41.62 2k4i n ASN 5 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2k4i s SER 6 N -3.94 1.84 -0.04 1.20 1.04 -1.26 -4.99 113.70 107.55 2k4i s SER 6 Ca 0.00 -1.59 -0.26 0.00 0.48 0.00 0.00 55.95 54.58 2k4i s SER 6 Cb 0.00 0.26 -0.21 0.00 0.10 0.00 0.00 66.02 66.17 2k4i s SER 6 CO 0.00 -0.30 1.15 0.58 0.98 0.00 0.00 173.24 175.65 2k4i h VAL 7 N 5.31 1.38 -3.81 5.02 2.07 -1.98 -3.46 116.25 120.79 2k4i h VAL 7 Ca 0.01 -1.30 -0.44 0.00 0.82 0.00 0.00 66.70 65.79 2k4i h VAL 7 Cb 1.03 2.24 0.17 0.00 -1.52 0.00 0.00 31.29 33.21 2k4i h VAL 7 CO 0.25 0.33 0.21 -0.76 0.02 0.00 0.00 177.57 177.62 2k4i s LEU 8 N -9.07 1.41 1.18 2.57 1.43 -1.26 -5.04 118.68 109.91 2k4i s LEU 8 Ca -0.16 0.81 -0.20 0.00 -1.03 0.00 0.00 54.13 53.55 2k4i s LEU 8 Cb 0.01 -2.81 0.28 0.00 0.03 0.00 0.00 46.19 43.70 2k4i s LEU 8 CO 0.65 -3.40 1.17 -0.13 0.23 0.00 0.00 176.35 174.88 2k4i s ARG 9 N -5.31 -1.07 0.08 1.70 3.00 -1.26 -4.51 118.95 111.59 2k4i s ARG 9 Ca 0.68 -0.27 -0.24 0.00 0.00 0.00 0.00 55.73 55.91 2k4i s ARG 9 Cb -0.13 -1.63 -0.16 0.00 0.00 0.00 0.00 34.95 33.04 2k4i s ARG 9 CO 0.56 -3.57 1.70 0.78 0.00 0.00 0.00 175.30 174.77 2k4i h GLY 10 N -2.48 -0.05 0.97 -3.53 0.00 -1.97 0.23 103.07 96.24 2k4i h GLY 10 Ca -0.43 0.02 -0.19 0.00 0.00 0.00 0.00 47.33 46.73 2k4i h GLY 10 CO 0.30 -0.02 -0.71 1.70 0.00 0.00 0.00 176.54 177.81 2k4i h LYS 11 N -0.08 0.57 0.89 4.80 3.64 -2.00 -2.89 116.57 121.50 2k4i h LYS 11 Ca -0.01 -0.55 -0.04 0.00 -1.27 0.00 0.00 60.65 58.79 2k4i h LYS 11 Cb 0.07 0.14 0.01 0.00 -0.41 0.00 0.00 32.23 32.03 2k4i h LYS 11 CO 0.01 1.17 -0.43 0.87 -2.27 0.00 0.00 179.45 178.80 2k4i h LYS 12 N 0.17 -1.15 -0.82 1.90 1.79 -1.91 -2.77 116.57 113.79 2k4i h LYS 12 Ca -0.07 0.08 0.18 0.00 -2.18 0.00 0.00 60.65 58.66 2k4i h LYS 12 Cb 1.38 0.26 -0.11 0.00 -1.58 0.00 0.00 32.23 32.17 2k4i h LYS 12 CO 0.14 -0.77 0.29 0.00 -1.08 0.00 0.00 179.45 178.04 2k4i h ALA 13 N -1.42 1.19 -0.45 3.86 0.00 -0.68 -0.70 119.26 121.07 2k4i h ALA 13 Ca -0.12 0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.04 2k4i h ALA 13 Cb 0.91 0.17 -0.09 0.00 0.00 0.00 0.00 17.79 18.79 2k4i h ALA 13 CO 0.20 -0.31 -0.15 0.22 0.00 0.00 0.00 179.25 179.21 2k4i h ASP 14 N 0.36 -0.52 -0.79 0.00 1.82 -1.37 0.12 116.42 116.04 2k4i h ASP 14 Ca 0.48 0.15 0.13 0.00 -0.39 0.00 0.00 57.03 57.39 2k4i h ASP 14 Cb 0.85 0.32 -0.06 0.00 0.68 0.00 0.00 39.33 41.12 2k4i h ASP 14 CO -0.50 -0.18 0.52 -0.33 -1.61 0.00 0.00 179.24 177.13 2k4i h GLU 15 N -0.05 0.57 -0.22 0.28 4.39 -0.84 0.20 114.58 118.91 2k4i h GLU 15 Ca 0.22 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.79 2k4i h GLU 15 Cb 0.38 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2k4i h GLU 15 CO -0.48 0.38 -0.23 1.25 -1.16 0.00 0.00 179.01 178.76 2k4i h LEU 16 N 0.59 0.59 0.00 1.33 7.12 -0.61 -2.54 115.31 121.78 2k4i h LEU 16 Ca 0.38 -0.48 0.00 0.00 0.13 0.00 0.00 57.88 57.91 2k4i h LEU 16 Cb 0.66 -0.17 0.00 0.00 -0.53 0.00 0.00 40.66 40.63 2k4i h LEU 16 CO -0.15 0.95 0.00 -0.62 -0.13 0.00 0.00 178.44 178.49 2k4i n GLU 17 N -4.39 0.82 -0.04 1.25 -0.58 -0.30 -3.09 120.64 114.31 2k4i n GLU 17 Ca -0.05 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.66 2k4i n GLU 17 Cb 0.43 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 29.66 2k4i n GLU 17 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2k4i n ARG 18 N -1.09 0.66 -2.51 3.49 5.12 0.61 -4.54 116.66 118.40 2k4i n ARG 18 Ca 0.21 0.05 -0.42 0.00 -1.93 0.00 0.00 57.85 55.76 2k4i n ARG 18 Cb 0.15 -1.62 -0.03 0.00 -1.16 0.00 0.00 32.46 29.79 2k4i n ARG 18 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2k4i s ILE 19 N -2.81 4.18 -0.13 0.55 1.01 -0.98 -4.82 121.20 118.20 2k4i s ILE 19 Ca -0.07 1.64 -0.06 0.00 0.00 0.00 0.00 60.65 62.15 2k4i s ILE 19 Cb 0.08 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 2k4i s ILE 19 CO 0.84 0.17 0.10 -0.60 0.00 0.00 0.00 174.94 175.45 2k4i s ARG 20 N 0.67 3.49 0.64 2.79 3.00 -0.28 -1.69 118.95 127.58 2k4i s ARG 20 Ca 0.55 -0.22 0.38 0.00 -1.00 0.00 0.00 55.73 55.43 2k4i s ARG 20 Cb -0.28 -3.14 2.11 0.00 0.00 0.00 0.00 34.95 33.65 2k4i s ARG 20 CO 0.30 0.65 2.26 -0.07 0.00 0.00 0.00 175.30 178.44 2k4i h LEU 21 N 5.41 0.00 -9.52 -0.88 3.38 -1.81 0.13 115.31 112.03 2k4i h LEU 21 Ca -0.50 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 56.90 2k4i h LEU 21 Cb 1.21 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.86 2k4i h LEU 21 CO 0.61 0.00 -0.65 -0.13 0.09 0.00 0.00 178.44 178.35 2k4i s ARG 22 N -4.30 2.21 -0.02 1.13 1.81 -1.26 -4.36 118.95 114.15 2k4i s ARG 22 Ca -0.05 -1.48 -0.26 0.00 -1.72 0.00 0.00 55.73 52.22 2k4i s ARG 22 Cb 0.13 -2.10 -0.20 0.00 -0.45 0.00 0.00 34.95 32.33 2k4i s ARG 22 CO 0.44 0.34 1.27 -1.00 -0.68 0.00 0.00 175.30 175.67 2k4i h PRO 23 N 1.92 0.02 -0.60 3.54 0.13 -1.96 -3.33 132.00 131.71 2k4i h PRO 23 Ca -0.44 -0.01 -0.39 0.00 -0.87 0.00 0.00 66.00 64.29 2k4i h PRO 23 Cb 1.25 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.14 2k4i h PRO 23 CO 0.61 0.50 -0.12 0.41 -0.23 0.00 0.00 178.00 179.16 2k4i n GLY 24 N 0.22 5.55 0.00 1.56 0.00 -1.26 -4.81 105.19 106.45 2k4i n GLY 24 Ca -0.08 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.07 2k4i n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4i n GLY 25 N -0.96 2.71 0.00 -0.02 0.00 -1.25 -5.06 105.19 100.60 2k4i n GLY 25 Ca 0.43 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 44.30 2k4i n GLY 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k4i n LYS 26 N -0.65 -0.06 -2.73 1.61 5.02 -1.26 -4.95 118.16 115.13 2k4i n LYS 26 Ca 0.00 -0.18 -0.42 0.00 -2.02 0.00 0.00 58.31 55.69 2k4i n LYS 26 Cb 0.00 -0.59 -0.02 0.00 -0.02 0.00 0.00 35.03 34.40 2k4i n LYS 26 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2k4i s LYS 27 N -0.03 3.66 1.05 1.97 2.20 -1.26 -4.99 119.74 122.34 2k4i s LYS 27 Ca 0.00 -1.54 -0.14 0.00 -0.36 0.00 0.00 55.97 53.93 2k4i s LYS 27 Cb 0.00 -5.18 0.22 0.00 -1.51 0.00 0.00 37.83 31.36 2k4i s LYS 27 CO 0.00 -2.01 1.10 0.15 -0.36 0.00 0.00 175.35 174.23 2k4i s LYS 28 N 3.78 -0.01 0.61 4.03 1.02 -1.26 -2.60 119.74 125.31 2k4i s LYS 28 Ca 0.41 0.32 -0.17 0.00 0.02 0.00 0.00 55.97 56.56 2k4i s LYS 28 Cb -0.02 -1.70 -0.02 0.00 -0.52 0.00 0.00 37.83 35.57 2k4i s LYS 28 CO -0.08 -2.98 1.12 0.71 -0.92 0.00 0.00 175.35 173.20 2k4i s TYR 29 N -3.01 2.64 0.12 3.18 1.51 -0.68 -4.79 117.35 116.32 2k4i s TYR 29 Ca 0.67 1.55 -0.03 0.00 -1.01 0.00 0.00 57.07 58.25 2k4i s TYR 29 Cb -0.16 -3.22 -0.03 0.00 -0.11 0.00 0.00 41.96 38.44 2k4i s TYR 29 CO 0.57 -1.65 0.08 1.03 -1.11 0.00 0.00 175.55 174.47 2k4i s ARG 30 N -3.76 0.89 0.53 -0.62 0.52 -1.26 -4.54 118.95 110.71 2k4i s ARG 30 Ca 0.69 -1.32 0.34 0.00 -0.52 0.00 0.00 55.73 54.93 2k4i s ARG 30 Cb -0.22 0.26 1.50 0.00 0.52 0.00 0.00 34.95 37.01 2k4i s ARG 30 CO 0.36 -0.26 1.82 -0.07 0.02 0.00 0.00 175.30 177.17 2k4i h LEU 31 N 2.87 0.05 -1.62 2.53 4.07 -1.97 0.56 115.31 121.80 2k4i h LEU 31 Ca -0.34 0.01 0.01 0.00 0.08 0.00 0.00 57.88 57.64 2k4i h LEU 31 Cb 1.19 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.91 2k4i h LEU 31 CO 0.59 0.01 0.27 0.07 -1.08 0.00 0.00 178.44 178.29 2k4i h LYS 32 N 0.04 0.51 0.14 1.13 2.10 -2.00 -1.76 116.57 116.73 2k4i h LYS 32 Ca 0.54 -0.03 -0.30 0.00 -2.00 0.00 0.00 60.65 58.86 2k4i h LYS 32 Cb 2.09 -0.12 0.03 0.00 -0.90 0.00 0.00 32.23 33.33 2k4i h LYS 32 CO -0.04 0.34 -1.26 0.45 -2.00 0.00 0.00 179.45 176.94 2k4i h HIS 33 N 0.53 0.92 -0.42 0.07 3.86 -0.28 -2.81 115.15 117.02 2k4i h HIS 33 Ca 0.15 -0.60 -0.02 0.00 -1.16 0.00 0.00 60.37 58.74 2k4i h HIS 33 Cb -0.03 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.36 2k4i h HIS 33 CO -0.00 1.44 0.17 0.82 0.86 0.00 0.00 177.93 181.22 2k4i h ILE 34 N 0.23 1.20 -0.61 2.45 2.04 -1.28 -0.03 117.51 121.51 2k4i h ILE 34 Ca -0.19 -0.61 -0.05 0.00 1.00 0.00 0.00 64.86 65.02 2k4i h ILE 34 Cb 1.94 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 38.81 2k4i h ILE 34 CO 0.24 0.22 0.20 0.58 0.00 0.00 0.00 178.15 179.39 2k4i h VAL 35 N 0.54 1.24 0.00 1.67 2.07 -1.44 -1.58 116.25 118.75 2k4i h VAL 35 Ca 0.14 -0.82 -0.04 0.00 0.82 0.00 0.00 66.70 66.80 2k4i h VAL 35 Cb 0.19 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 2k4i h VAL 35 CO -0.01 0.31 -0.20 -0.25 0.02 0.00 0.00 177.57 177.44 2k4i h TRP 36 N 0.87 0.00 0.00 1.57 7.01 -1.32 -1.84 115.95 122.25 2k4i h TRP 36 Ca 0.20 0.00 -0.07 0.00 2.11 0.00 0.00 58.89 61.13 2k4i h TRP 36 Cb 0.28 0.00 0.01 0.00 -2.10 0.00 0.00 29.16 27.35 2k4i h TRP 36 CO 0.02 0.20 -0.26 0.00 -2.79 0.00 0.00 178.44 175.61 2k4i h ALA 37 N 1.80 0.03 -0.48 2.65 0.00 -0.46 -3.00 119.26 119.80 2k4i h ALA 37 Ca -0.00 -0.48 -0.12 0.00 0.00 0.00 0.00 54.91 54.31 2k4i h ALA 37 Cb 0.70 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2k4i h ALA 37 CO 0.03 0.10 -0.19 0.00 0.00 0.00 0.00 179.25 179.18 2k4i h ALA 38 N 0.25 0.76 -0.93 0.00 0.00 -1.27 -2.74 119.26 115.32 2k4i h ALA 38 Ca -0.03 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.53 2k4i h ALA 38 Cb 1.03 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 2k4i h ALA 38 CO 0.05 0.66 0.61 -0.91 0.00 0.00 0.00 179.25 179.66 2k4i h ASN 39 N 0.83 1.03 -0.10 0.00 4.21 -1.43 -1.84 115.58 118.27 2k4i h ASN 39 Ca 0.11 -0.01 -0.10 0.00 1.21 0.00 0.00 56.30 57.51 2k4i h ASN 39 Cb 0.75 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.70 2k4i h ASN 39 CO 0.06 0.72 -0.24 0.11 -1.29 0.00 0.00 177.43 176.79 2k4i h LYS 40 N 1.20 0.53 0.70 0.81 1.79 -1.40 -2.89 116.57 117.32 2k4i h LYS 40 Ca 0.36 -0.20 -0.03 0.00 -2.18 0.00 0.00 60.65 58.60 2k4i h LYS 40 Cb -0.04 -0.03 0.01 0.00 -1.58 0.00 0.00 32.23 30.58 2k4i h LYS 40 CO -0.11 0.73 -0.34 -0.07 -1.08 0.00 0.00 179.45 178.59 2k4i h LEU 41 N 0.47 -0.80 -0.56 2.94 3.38 -1.04 0.26 115.31 119.96 2k4i h LEU 41 Ca 0.07 0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.18 2k4i h LEU 41 Cb 0.67 0.21 -0.09 0.00 0.09 0.00 0.00 40.66 41.54 2k4i h LEU 41 CO 0.05 -0.57 0.04 -0.78 0.09 0.00 0.00 178.44 177.27 2k4i h ASP 42 N -0.94 -0.15 0.83 -0.43 3.58 -1.02 0.42 116.42 118.71 2k4i h ASP 42 Ca -0.10 0.12 -0.04 0.00 0.42 0.00 0.00 57.03 57.44 2k4i h ASP 42 Cb 0.72 0.21 0.01 0.00 1.72 0.00 0.00 39.33 41.99 2k4i h ASP 42 CO 0.16 -0.06 -0.40 -0.09 -2.88 0.00 0.00 179.24 175.97 2k4i h ARG 43 N 0.16 -1.08 -0.75 0.28 2.43 -1.36 -3.15 114.38 110.92 2k4i h ARG 43 Ca 0.29 0.07 0.17 0.00 -0.81 0.00 0.00 59.98 59.70 2k4i h ARG 43 Cb 0.45 0.24 -0.11 0.00 -0.42 0.00 0.00 29.97 30.13 2k4i h ARG 43 CO -0.44 -0.72 0.17 0.74 -1.51 0.00 0.00 179.97 178.21 2k4i h PHE 44 N -1.29 0.26 0.00 2.20 0.04 -0.20 -3.45 116.94 114.49 2k4i h PHE 44 Ca -0.11 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.70 2k4i h PHE 44 Cb 0.86 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.01 2k4i h PHE 44 CO -0.00 -0.11 0.00 0.41 -0.60 0.00 0.00 178.31 178.01 2k4i n GLY 45 N -1.36 0.42 3.92 -1.45 0.00 0.82 -5.08 105.19 102.46 2k4i n GLY 45 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 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 3.27 0.28 0.99 1.43 0.11 -4.91 118.68 119.85 2k4i s LEU 46 Ca 0.00 0.62 0.06 0.00 -1.03 0.00 0.00 54.13 53.78 2k4i s LEU 46 Cb 0.00 -3.45 -0.02 0.00 0.03 0.00 0.00 46.19 42.75 2k4i s LEU 46 CO 0.00 -1.05 0.35 0.00 0.23 0.00 0.00 176.35 175.88 2k4i s ALA 47 N -2.94 3.93 -0.83 4.21 0.00 -1.26 -2.21 121.76 122.66 2k4i s ALA 47 Ca 0.54 -1.39 0.25 0.00 0.00 0.00 0.00 51.96 51.36 2k4i s ALA 47 Cb -0.10 -1.55 0.57 0.00 0.00 0.00 0.00 23.12 22.04 2k4i s ALA 47 CO 0.44 0.13 1.48 -0.85 0.00 0.00 0.00 175.76 176.97 2k4i n GLU 48 N -1.42 0.14 0.05 0.00 0.28 -1.26 -3.64 120.64 114.79 2k4i n GLU 48 Ca -0.05 0.05 0.08 0.00 -0.16 0.00 0.00 57.16 57.09 2k4i n GLU 48 Cb 0.58 -1.60 0.36 0.00 1.43 0.00 0.00 31.44 32.21 2k4i n GLU 48 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2k4i n SER 49 N -1.82 0.24 -0.23 -1.84 2.88 -1.26 -1.65 113.62 109.94 2k4i n SER 49 Ca 0.05 0.56 0.13 0.00 -1.33 0.00 0.00 58.87 58.28 2k4i n SER 49 Cb 0.39 -0.61 0.46 0.00 -0.75 0.00 0.00 64.21 63.69 2k4i n SER 49 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2k4i n LEU 50 N -1.77 0.92 0.03 2.46 4.77 -1.24 -3.58 117.00 118.60 2k4i n LEU 50 Ca 0.03 -0.21 0.12 0.00 -0.03 0.00 0.00 56.01 55.92 2k4i n LEU 50 Cb 0.18 -0.12 0.26 0.00 -2.33 0.00 0.00 43.42 41.41 2k4i n LEU 50 CO 0.15 0.17 0.48 0.18 -1.33 0.00 0.00 177.39 177.04 2k4i n LEU 51 N -0.65 0.55 -0.62 2.23 4.77 -0.66 -0.93 117.00 121.70 2k4i n LEU 51 Ca 0.14 0.19 0.06 0.00 -0.03 0.00 0.00 56.01 56.37 2k4i n LEU 51 Cb 0.33 -0.25 0.20 0.00 -2.33 0.00 0.00 43.42 41.37 2k4i n LEU 51 CO 0.24 0.01 0.60 -1.84 -1.33 0.00 0.00 177.39 175.07 2k4i n GLU 52 N -1.82 1.90 -3.65 3.23 0.28 -1.23 -4.91 120.64 114.43 2k4i n GLU 52 Ca 0.05 -2.91 -0.15 0.00 -0.16 0.00 0.00 57.16 53.98 2k4i n GLU 52 Cb 0.39 -1.68 -0.14 0.00 1.43 0.00 0.00 31.44 31.43 2k4i n GLU 52 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2k4i s SER 53 N -2.61 0.62 0.28 -1.84 0.15 -1.24 -5.03 113.70 104.02 2k4i s SER 53 Ca 0.39 0.41 0.01 0.00 0.70 0.00 0.00 55.95 57.46 2k4i s SER 53 Cb 0.34 0.47 0.59 0.00 -1.71 0.00 0.00 66.02 65.71 2k4i s SER 53 CO 0.02 -0.25 1.78 0.50 1.20 0.00 0.00 173.24 176.49 2k4i h LYS 54 N 8.33 0.70 -0.17 5.44 3.64 -1.89 0.15 116.57 132.76 2k4i h LYS 54 Ca -0.14 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.09 2k4i h LYS 54 Cb 1.12 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 2k4i h LYS 54 CO 0.15 0.46 -0.35 0.93 -2.27 0.00 0.00 179.45 178.37 2k4i h GLU 55 N 0.72 0.37 0.17 1.90 5.08 -1.96 -2.69 114.58 118.17 2k4i h GLU 55 Ca 0.50 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.69 2k4i h GLU 55 Cb 0.69 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2k4i h GLU 55 CO -0.35 0.68 -0.08 0.78 -1.00 0.00 0.00 179.01 179.04 2k4i h GLY 56 N 1.11 -0.23 1.31 -3.84 0.00 -1.05 -3.04 103.07 97.32 2k4i h GLY 56 Ca 0.04 0.09 0.08 0.00 0.00 0.00 0.00 47.33 47.54 2k4i h GLY 56 CO 0.06 -0.09 0.26 0.00 0.00 0.00 0.00 176.54 176.78 2k4i h GLN 58 N 0.00 0.22 0.00 0.00 4.15 -1.46 -2.68 115.11 115.34 2k4i h GLN 58 Ca 0.14 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.41 2k4i h GLN 58 Cb 0.66 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.37 2k4i h GLN 58 CO -0.00 0.75 0.00 1.63 -1.93 0.00 0.00 178.83 179.28 2k4i n LYS 59 N -3.88 0.20 -0.02 1.69 5.02 0.29 -3.01 118.16 118.46 2k4i n LYS 59 Ca -0.02 0.32 -0.22 0.00 -2.02 0.00 0.00 58.31 56.37 2k4i n LYS 59 Cb 0.61 -1.81 -0.13 0.00 -0.02 0.00 0.00 35.03 33.67 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 0.79 0.00 -0.18 2.04 -1.32 -3.35 117.51 115.48 2k4i h ILE 60 Ca 0.00 -2.32 -0.02 0.00 1.00 0.00 0.00 64.86 63.53 2k4i h ILE 60 Cb 0.51 2.48 -0.00 0.00 -0.74 0.00 0.00 36.82 39.07 2k4i h ILE 60 CO 0.00 0.72 -0.08 -0.07 0.00 0.00 0.00 178.15 178.72 2k4i h LEU 61 N -0.27 0.00 -1.02 1.44 3.38 -1.47 -0.07 115.31 117.31 2k4i h LEU 61 Ca -0.38 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.49 2k4i h LEU 61 Cb 1.81 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.54 2k4i h LEU 61 CO 0.01 0.08 -0.43 0.00 0.09 0.00 0.00 178.44 178.19 2k4i h THR 62 N 0.00 1.32 0.09 0.22 1.03 -1.68 0.27 112.91 114.15 2k4i h THR 62 Ca -0.00 -1.53 -0.33 0.00 -0.01 0.00 0.00 66.41 64.54 2k4i h THR 62 Cb 0.17 1.75 -0.03 0.00 -1.07 0.00 0.00 68.15 68.97 2k4i h THR 62 CO 0.01 0.45 -1.81 0.58 -0.01 0.00 0.00 175.52 174.74 2k4i h VAL 63 N 0.11 0.80 0.00 0.00 2.07 -1.42 -3.35 116.25 114.46 2k4i h VAL 63 Ca 0.01 -2.55 0.00 0.00 0.82 0.00 0.00 66.70 64.98 2k4i h VAL 63 Cb 0.81 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 33.11 2k4i h VAL 63 CO 0.06 0.75 0.00 -0.07 0.02 0.00 0.00 177.57 178.33 2k4i h LEU 64 N 0.05 0.00 0.40 2.57 3.38 -1.02 -3.30 115.31 117.38 2k4i h LEU 64 Ca -0.34 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 2k4i h LEU 64 Cb 2.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.75 2k4i h LEU 64 CO 0.10 0.00 -0.44 0.44 0.09 0.00 0.00 178.44 178.63 2k4i h ASP 65 N 0.00 -1.22 0.36 -0.43 3.32 -0.60 -0.90 116.42 116.95 2k4i h ASP 65 Ca 0.00 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2k4i h ASP 65 Cb 0.96 0.41 0.00 0.00 0.22 0.00 0.00 39.33 40.92 2k4i h ASP 65 CO 0.00 -0.57 0.00 -0.81 -1.72 0.00 0.00 179.24 176.14 2k4i n PRO 66 N -5.07 0.13 0.09 3.56 -0.04 -1.25 -2.08 135.00 130.33 2k4i n PRO 66 Ca -0.10 0.19 0.11 0.00 -0.04 0.00 0.00 63.50 63.66 2k4i n PRO 66 Cb 0.39 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.34 2k4i n PRO 66 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2k4i n MET 67 N -1.37 0.59 0.34 0.54 2.81 -0.67 -4.03 117.12 115.32 2k4i n MET 67 Ca 0.06 0.08 -0.16 0.00 -1.81 0.00 0.00 57.70 55.87 2k4i n MET 67 Cb 0.14 -1.78 -0.08 0.00 -0.71 0.00 0.00 33.22 30.79 2k4i n MET 67 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2k4i h VAL 68 N 0.00 0.22 0.00 2.03 2.07 -0.63 0.30 116.25 120.24 2k4i h VAL 68 Ca 0.00 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.25 2k4i h VAL 68 Cb 0.98 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 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 -5.39 0.49 -2.74 1.57 -0.04 -1.26 -3.44 135.00 124.19 2k4i n PRO 69 Ca -0.12 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.25 2k4i n PRO 69 Cb 0.37 -1.40 0.09 0.00 -0.04 0.00 0.00 33.50 32.52 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 -0.90 0.01 -3.99 0.52 -1.04 -1.08 -5.15 114.28 102.66 2k4i n THR 70 Ca 0.09 -1.68 -0.12 0.00 -2.04 0.00 0.00 64.05 60.30 2k4i n THR 70 Cb 0.04 1.26 -0.02 0.00 -1.82 0.00 0.00 70.33 69.79 2k4i n THR 70 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2k4i s GLY 71 N -1.34 0.98 0.82 3.41 0.00 0.10 -4.73 107.32 106.56 2k4i s GLY 71 Ca 0.23 -1.17 -0.05 0.00 0.00 0.00 0.00 44.72 43.73 2k4i s GLY 71 CO -0.06 -0.72 1.13 -1.35 0.00 0.00 0.00 173.10 172.10 2k4i s SER 72 N -3.15 3.76 0.28 1.64 1.04 -1.26 -4.93 113.70 111.08 2k4i s SER 72 Ca 0.24 -0.30 0.11 0.00 0.48 0.00 0.00 55.95 56.48 2k4i s SER 72 Cb -0.02 0.12 0.38 0.00 0.10 0.00 0.00 66.02 66.61 2k4i s SER 72 CO 0.16 -2.28 1.63 -0.33 0.98 0.00 0.00 173.24 173.40 2k4i h GLU 73 N -0.97 0.00 0.00 4.02 5.08 -1.99 -2.51 114.58 118.21 2k4i h GLU 73 Ca -0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 2k4i h GLU 73 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2k4i h GLU 73 CO 0.35 0.60 0.00 -0.91 -1.00 0.00 0.00 179.01 178.05 2k4i h ASN 74 N 0.00 0.00 0.00 1.42 2.35 -2.01 -2.46 115.58 114.88 2k4i h ASN 74 Ca -0.01 0.00 -0.42 0.00 -0.55 0.00 0.00 56.30 55.32 2k4i h ASN 74 Cb 1.06 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.37 2k4i h ASN 74 CO 0.08 0.00 -2.32 -0.11 -1.65 0.00 0.00 177.43 173.43 2k4i n LEU 75 N -2.51 2.01 -0.26 1.61 0.00 -1.05 -4.16 117.00 112.64 2k4i n LEU 75 Ca 0.00 0.33 0.05 0.00 0.00 0.00 0.00 56.01 56.39 2k4i n LEU 75 Cb 0.16 -0.86 0.19 0.00 0.00 0.00 0.00 43.42 42.91 2k4i n LEU 75 CO 0.18 0.55 1.01 0.11 0.00 0.00 0.00 177.39 179.24 2k4i h LYS 76 N -0.93 0.43 -0.50 1.96 1.57 -1.38 -0.49 116.57 117.22 2k4i h LYS 76 Ca -0.63 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.17 2k4i h LYS 76 Cb 1.58 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 33.75 2k4i h LYS 76 CO -0.37 0.28 0.23 0.77 -0.57 0.00 0.00 179.45 179.79 2k4i h SER 77 N 0.44 0.30 -0.27 0.86 0.02 -1.66 0.38 113.55 113.61 2k4i h SER 77 Ca 0.41 0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 61.34 2k4i h SER 77 Cb 0.62 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.13 2k4i h SER 77 CO -0.40 0.21 -0.03 0.25 -1.14 0.00 0.00 176.83 175.71 2k4i h LEU 78 N 0.44 0.59 0.38 5.07 5.85 -1.33 -2.74 115.31 123.58 2k4i h LEU 78 Ca 0.22 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 2k4i h LEU 78 Cb 0.17 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.05 2k4i h LEU 78 CO -0.18 0.68 -0.18 0.15 -0.34 0.00 0.00 178.44 178.57 2k4i h PHE 79 N 0.58 -0.48 -0.97 1.25 3.57 -0.20 -1.87 116.94 118.83 2k4i h PHE 79 Ca 0.12 -0.01 0.27 0.00 3.53 0.00 0.00 57.97 61.88 2k4i h PHE 79 Cb 0.42 0.16 -0.05 0.00 2.79 0.00 0.00 35.95 39.27 2k4i h PHE 79 CO 0.02 -0.15 0.68 -0.91 -2.23 0.00 0.00 178.31 175.72 2k4i h ASN 80 N -0.87 0.10 -0.02 0.41 4.21 -0.93 0.38 115.58 118.86 2k4i h ASN 80 Ca -0.05 0.01 -0.12 0.00 1.21 0.00 0.00 56.30 57.35 2k4i h ASN 80 Cb 0.54 -0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.75 2k4i h ASN 80 CO 0.09 0.03 -0.46 0.74 -1.29 0.00 0.00 177.43 176.54 2k4i h THR 81 N 0.09 1.45 -0.37 2.81 2.02 -1.35 -3.23 112.91 114.33 2k4i h THR 81 Ca 0.48 -1.96 0.05 0.00 0.77 0.00 0.00 66.41 65.74 2k4i h THR 81 Cb 1.73 2.56 -0.02 0.00 -1.74 0.00 0.00 68.15 70.68 2k4i h THR 81 CO -0.06 0.56 0.25 0.58 0.37 0.00 0.00 175.52 177.23 2k4i h VAL 82 N -0.19 0.97 -0.45 3.16 2.07 -0.10 -0.96 116.25 120.75 2k4i h VAL 82 Ca -0.05 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 2k4i h VAL 82 Cb 1.16 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 2k4i h VAL 82 CO 0.09 0.06 0.13 0.00 0.02 0.00 0.00 177.57 177.87 2k4i h VAL 84 N 0.65 0.00 -1.12 0.00 2.07 -1.25 -3.11 116.25 113.49 2k4i h VAL 84 Ca 0.15 -0.73 0.38 0.00 0.82 0.00 0.00 66.70 67.32 2k4i h VAL 84 Cb 0.21 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.83 2k4i h VAL 84 CO -0.01 0.00 0.67 0.40 0.02 0.00 0.00 177.57 178.65 2k4i h ILE 85 N -0.90 0.20 0.11 4.57 1.08 -1.43 0.29 117.51 121.43 2k4i h ILE 85 Ca -0.02 -0.06 -0.01 0.00 -0.39 0.00 0.00 64.86 64.38 2k4i h ILE 85 Cb 0.13 -0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.88 2k4i h ILE 85 CO 0.03 0.03 -0.05 -0.25 -0.69 0.00 0.00 178.15 177.22 2k4i h TRP 86 N 0.18 -0.14 -0.49 1.37 7.01 -1.50 -3.12 115.95 119.27 2k4i h TRP 86 Ca 0.78 -0.00 0.10 0.00 2.11 0.00 0.00 58.89 61.87 2k4i h TRP 86 Cb 2.09 0.05 -0.09 0.00 -2.10 0.00 0.00 29.16 29.11 2k4i h TRP 86 CO -0.01 0.09 -0.08 0.00 -2.79 0.00 0.00 178.44 175.65 2k4i h ILE 88 N 0.04 0.34 0.10 0.00 2.04 -1.35 0.43 117.51 119.10 2k4i h ILE 88 Ca 0.24 -0.05 -0.32 0.00 1.00 0.00 0.00 64.86 65.74 2k4i h ILE 88 Cb 0.37 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 2k4i h ILE 88 CO -0.47 0.02 -1.67 0.45 0.00 0.00 0.00 178.15 176.48 2k4i h HIS 89 N 0.13 0.37 -0.00 1.37 3.86 -0.81 -3.31 115.15 116.76 2k4i h HIS 89 Ca 0.67 -0.27 0.00 0.00 -1.16 0.00 0.00 60.37 59.60 2k4i h HIS 89 Cb 2.27 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 30.72 2k4i h HIS 89 CO -0.00 1.41 -0.01 0.00 0.86 0.00 0.00 177.93 180.18 2k4i n ALA 90 N -2.72 2.64 -3.02 2.45 0.00 0.91 -4.92 120.51 115.85 2k4i n ALA 90 Ca -0.20 -0.21 -0.13 0.00 0.00 0.00 0.00 53.44 52.91 2k4i n ALA 90 Cb 1.05 -1.48 0.06 0.00 0.00 0.00 0.00 19.45 19.08 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 -1.00 -3.58 -4.02 0.00 1.02 0.11 -5.02 120.64 108.16 2k4i n GLU 91 Ca 0.21 0.68 -0.34 0.00 -0.02 0.00 0.00 57.16 57.69 2k4i n GLU 91 Cb 0.17 -5.07 -0.15 0.00 -0.02 0.00 0.00 31.44 26.37 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 -4.61 2.79 -0.17 3.49 0.41 -1.01 -5.04 118.70 114.55 2k4i s GLU 92 Ca 0.18 -1.00 -0.29 0.00 -0.41 0.00 0.00 54.97 53.45 2k4i s GLU 92 Cb -0.02 -2.87 -0.03 0.00 -1.78 0.00 0.00 34.13 29.43 2k4i s GLU 92 CO 0.58 -0.38 1.52 0.15 -0.49 0.00 0.00 175.26 176.65 2k4i s LYS 93 N 1.28 4.00 -0.05 1.61 1.02 -1.26 -4.64 119.74 121.70 2k4i s LYS 93 Ca -0.00 1.76 0.01 0.00 0.02 0.00 0.00 55.97 57.75 2k4i s LYS 93 Cb -0.16 -3.95 0.02 0.00 -0.52 0.00 0.00 37.83 33.22 2k4i s LYS 93 CO -0.07 -1.04 -0.05 0.14 -0.92 0.00 0.00 175.35 173.42 2k4i s VAL 94 N 4.47 0.58 0.02 3.17 -7.23 -1.26 -5.00 120.40 115.15 2k4i s VAL 94 Ca 0.67 -0.13 -0.17 0.00 -1.81 0.00 0.00 61.98 60.54 2k4i s VAL 94 Cb -0.26 -0.60 -0.34 0.00 0.56 0.00 0.00 36.38 35.74 2k4i s VAL 94 CO 0.26 0.24 1.01 0.11 -0.31 0.00 0.00 175.10 176.40 2k4i h LYS 95 N 7.29 0.53 0.00 4.82 1.57 -1.94 -3.40 116.57 125.45 2k4i h LYS 95 Ca -0.36 -0.86 -0.30 0.00 -1.87 0.00 0.00 60.65 57.26 2k4i h LYS 95 Cb 1.15 0.31 -0.06 0.00 0.08 0.00 0.00 32.23 33.71 2k4i h LYS 95 CO 0.45 1.41 -0.24 -0.40 -0.57 0.00 0.00 179.45 180.10 2k4i n ASP 96 N -3.79 1.68 0.10 0.86 5.68 -1.26 -1.12 116.55 118.70 2k4i n ASP 96 Ca -0.16 -2.11 0.01 0.00 -0.50 0.00 0.00 54.79 52.03 2k4i n ASP 96 Cb 1.04 0.40 -0.01 0.00 -1.14 0.00 0.00 41.12 41.41 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 1.27 0.81 0.00 2.12 2.02 -0.91 -3.27 112.91 114.95 2k4i h THR 97 Ca -0.18 -2.22 -0.04 0.00 0.77 0.00 0.00 66.41 64.74 2k4i h THR 97 Cb 0.63 2.34 -0.01 0.00 -1.74 0.00 0.00 68.15 69.37 2k4i h THR 97 CO 0.29 0.46 -0.19 -0.33 0.37 0.00 0.00 175.52 176.12 2k4i h GLU 98 N 0.00 0.00 0.12 6.66 3.07 -1.84 -1.24 114.58 121.35 2k4i h GLU 98 Ca -0.05 0.00 -0.29 0.00 -0.50 0.00 0.00 59.36 58.53 2k4i h GLU 98 Cb 1.46 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.37 2k4i h GLU 98 CO 0.06 0.19 -1.36 0.78 -1.40 0.00 0.00 179.01 177.28 2k4i h GLY 99 N 0.93 0.29 1.64 -3.84 0.00 -1.96 -3.09 103.07 97.03 2k4i h GLY 99 Ca -0.00 -0.74 -0.20 0.00 0.00 0.00 0.00 47.33 46.39 2k4i h GLY 99 CO 0.02 0.65 -0.82 0.00 0.00 0.00 0.00 176.54 176.39 2k4i h ALA 100 N 0.56 0.53 -0.29 3.60 0.00 -1.56 -2.53 119.26 119.57 2k4i h ALA 100 Ca -0.18 -0.66 -0.13 0.00 0.00 0.00 0.00 54.91 53.94 2k4i h ALA 100 Cb 1.99 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.71 2k4i h ALA 100 CO 0.18 0.82 -0.35 -0.22 0.00 0.00 0.00 179.25 179.68 2k4i h LYS 101 N 0.21 0.63 0.23 0.00 3.64 -1.34 -2.73 116.57 117.21 2k4i h LYS 101 Ca -0.05 -0.30 -0.01 0.00 -1.27 0.00 0.00 60.65 59.02 2k4i h LYS 101 Cb 1.42 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.24 2k4i h LYS 101 CO 0.14 0.89 -0.11 0.37 -2.27 0.00 0.00 179.45 178.47 2k4i h GLN 102 N 0.53 -0.30 -1.01 1.90 5.75 -1.54 -1.87 115.11 118.58 2k4i h GLN 102 Ca 0.06 0.02 0.24 0.00 -0.15 0.00 0.00 58.65 58.82 2k4i h GLN 102 Cb 0.85 0.07 -0.11 0.00 1.07 0.00 0.00 27.48 29.36 2k4i h GLN 102 CO 0.07 0.08 0.62 0.82 -2.65 0.00 0.00 178.83 177.78 2k4i h ILE 103 N -0.85 0.57 -0.13 2.39 2.04 -1.51 0.11 117.51 120.13 2k4i h ILE 103 Ca -0.03 -0.19 -0.10 0.00 1.00 0.00 0.00 64.86 65.54 2k4i h ILE 103 Cb 0.51 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 2k4i h ILE 103 CO 0.05 0.10 -0.31 0.58 0.00 0.00 0.00 178.15 178.57 2k4i h VAL 104 N 0.55 1.37 0.00 1.67 2.07 -1.49 0.56 116.25 120.98 2k4i h VAL 104 Ca 0.61 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 66.53 2k4i h VAL 104 Cb 1.25 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 2k4i h VAL 104 CO -0.38 0.48 0.00 -1.14 0.02 0.00 0.00 177.57 176.54 2k4i n ARG 105 N -4.38 0.12 -0.13 1.57 0.63 -0.11 -2.04 116.66 112.30 2k4i n ARG 105 Ca -0.07 0.42 -0.27 0.00 -0.92 0.00 0.00 57.85 57.01 2k4i n ARG 105 Cb 0.49 -1.75 -0.11 0.00 0.45 0.00 0.00 32.46 31.54 2k4i n ARG 105 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2k4i n ARG 106 N -1.98 0.60 0.21 -0.14 5.12 0.19 -4.04 116.66 116.62 2k4i n ARG 106 Ca 0.02 0.30 0.07 0.00 -1.93 0.00 0.00 57.85 56.30 2k4i n ARG 106 Cb 0.16 -1.54 0.58 0.00 -1.16 0.00 0.00 32.46 30.50 2k4i n ARG 106 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2k4i h HIS 107 N -0.85 0.10 0.36 -1.55 3.86 -0.80 -1.67 115.15 114.58 2k4i h HIS 107 Ca -0.63 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 58.56 2k4i h HIS 107 Cb 1.62 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 30.06 2k4i h HIS 107 CO -0.04 0.09 -0.17 -0.07 0.86 0.00 0.00 177.93 178.59 2k4i h LEU 108 N 0.10 -0.41 -1.83 2.43 3.38 -1.62 -3.10 115.31 114.26 2k4i h LEU 108 Ca 0.03 -0.11 0.15 0.00 0.09 0.00 0.00 57.88 58.03 2k4i h LEU 108 Cb 0.03 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 2k4i h LEU 108 CO -0.00 0.04 0.43 0.58 0.09 0.00 0.00 178.44 179.57 2k4i h VAL 109 N -1.02 0.77 0.00 1.22 2.07 -1.67 0.29 116.25 117.90 2k4i h VAL 109 Ca -0.05 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 2k4i h VAL 109 Cb 0.50 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 2k4i h VAL 109 CO 0.08 0.03 -0.20 0.00 0.02 0.00 0.00 177.57 177.50 2k4i h ALA 110 N 1.70 1.38 0.00 1.67 0.00 -1.30 -2.88 119.26 119.83 2k4i h ALA 110 Ca 0.29 -0.18 -0.27 0.00 0.00 0.00 0.00 54.91 54.75 2k4i h ALA 110 Cb 0.92 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 2k4i h ALA 110 CO -0.05 0.25 -2.08 -1.91 0.00 0.00 0.00 179.25 175.46 2k4i n GLU 111 N -3.89 0.67 -0.06 0.00 2.13 0.71 -4.24 120.64 115.95 2k4i n GLU 111 Ca -0.02 0.04 0.23 0.00 0.66 0.00 0.00 57.16 58.08 2k4i n GLU 111 Cb 0.29 -1.60 0.70 0.00 0.27 0.00 0.00 31.44 31.10 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 0.00 0.67 -0.68 6.31 2.02 -0.48 -0.15 112.91 120.59 2k4i h THR 112 Ca -0.37 -0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.01 2k4i h THR 112 Cb 1.93 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 68.98 2k4i h THR 112 CO 0.04 0.00 0.51 1.23 0.37 0.00 0.00 175.52 177.66 2k4i h GLY 113 N 0.00 0.00 -3.22 2.16 0.00 -1.73 0.20 103.07 100.48 2k4i h GLY 113 Ca 0.31 0.00 -0.41 0.00 0.00 0.00 0.00 47.33 47.24 2k4i h GLY 113 CO -0.00 0.00 0.32 2.41 0.00 0.00 0.00 176.54 179.26 2k4i n THR 114 N -4.25 2.97 -2.61 4.70 -1.04 -0.07 -4.48 114.28 109.49 2k4i n THR 114 Ca 0.13 -2.47 -0.03 0.00 -2.04 0.00 0.00 64.05 59.64 2k4i n THR 114 Cb 0.77 -0.51 0.03 0.00 -1.82 0.00 0.00 70.33 68.79 2k4i n THR 114 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k4i n ALA 115 N -1.10 -1.02 -0.15 2.41 0.00 0.63 -5.00 120.51 116.28 2k4i n ALA 115 Ca 0.49 -0.48 0.24 0.00 0.00 0.00 0.00 53.44 53.69 2k4i n ALA 115 Cb 1.29 -0.82 0.65 0.00 0.00 0.00 0.00 19.45 20.56 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 0.85 0.12 -0.05 0.00 4.81 -1.61 -1.43 114.58 117.28 2k4i h GLU 116 Ca -0.34 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 58.91 2k4i h GLU 116 Cb 1.18 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.49 2k4i h GLU 116 CO -0.13 0.08 -0.19 -0.22 -0.73 0.00 0.00 179.01 177.82 2k4i h LYS 117 N 0.12 -0.28 -5.81 1.92 3.64 -1.94 -3.47 116.57 110.75 2k4i h LYS 117 Ca 0.39 0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.64 2k4i h LYS 117 Cb 1.37 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.25 2k4i h LYS 117 CO -0.05 -0.18 -0.35 -0.12 -2.27 0.00 0.00 179.45 176.47 2k4i n MET 118 N -5.33 -1.40 -2.04 1.90 0.00 -0.54 -4.82 117.12 104.90 2k4i n MET 118 Ca -0.04 1.27 -0.32 0.00 -0.00 0.00 0.00 57.70 58.60 2k4i n MET 118 Cb 0.24 -4.66 -0.04 0.00 0.00 0.00 0.00 33.22 28.77 2k4i n MET 118 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 2k4i s PRO 119 N -3.62 2.59 0.36 2.12 0.04 -1.26 -4.94 135.00 130.29 2k4i s PRO 119 Ca 0.00 0.15 0.06 0.00 0.04 0.00 0.00 61.00 61.25 2k4i s PRO 119 Cb -0.00 -4.73 -0.07 0.00 0.04 0.00 0.00 34.50 29.73 2k4i s PRO 119 CO 0.80 -3.07 0.01 -1.12 0.04 0.00 0.00 177.00 173.66 2k4i s SER 120 N 8.08 3.18 0.28 6.66 0.01 -1.26 -5.17 113.70 125.49 2k4i s SER 120 Ca 0.69 -1.34 0.01 0.00 1.31 0.00 0.00 55.95 56.62 2k4i s SER 120 Cb -0.10 -0.25 -0.00 0.00 0.21 0.00 0.00 66.02 65.88 2k4i s SER 120 CO 0.10 -0.48 0.04 0.41 0.41 0.00 0.00 173.24 173.72 2k4i n THR 121 N -0.81 0.00 -4.04 1.44 -1.04 -1.26 -5.18 114.28 103.40 2k4i n THR 121 Ca -0.04 -1.47 -0.09 0.00 -2.04 0.00 0.00 64.05 60.40 2k4i n THR 121 Cb 0.66 0.41 -0.08 0.00 -1.82 0.00 0.00 70.33 69.50 2k4i n THR 121 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2k4i s SER 122 N -2.64 0.17 0.03 8.00 0.15 -1.26 -5.17 113.70 112.98 2k4i s SER 122 Ca 0.06 -1.00 0.05 0.00 0.70 0.00 0.00 55.95 55.76 2k4i s SER 122 Cb 0.00 0.37 -0.02 0.00 -1.71 0.00 0.00 66.02 64.66 2k4i s SER 122 CO 0.04 -0.81 -0.15 -0.13 1.20 0.00 0.00 173.24 173.39 2k4i s ARG 123 N -3.99 1.05 0.34 5.44 3.00 -1.26 -5.13 118.95 118.40 2k4i s ARG 123 Ca 0.19 -0.77 -0.28 0.00 0.00 0.00 0.00 55.73 54.87 2k4i s ARG 123 Cb 0.05 -1.08 -0.09 0.00 0.00 0.00 0.00 34.95 33.83 2k4i s ARG 123 CO -0.00 0.27 1.21 -1.25 0.00 0.00 0.00 175.30 175.54 2k4i s PRO 124 N -1.06 4.32 0.05 3.54 0.04 -1.26 -5.05 135.00 135.58 2k4i s PRO 124 Ca 0.03 2.00 -0.08 0.00 0.04 0.00 0.00 61.00 62.99 2k4i s PRO 124 Cb -0.08 -2.97 -0.00 0.00 0.04 0.00 0.00 34.50 31.49 2k4i s PRO 124 CO 0.01 -0.14 0.16 0.95 0.04 0.00 0.00 177.00 178.03 2k4i s THR 125 N -1.23 0.12 0.01 1.26 -4.23 -1.26 -5.17 115.64 105.14 2k4i s THR 125 Ca 0.50 -1.01 -0.03 0.00 -1.18 0.00 0.00 61.69 59.98 2k4i s THR 125 Cb -0.35 -0.98 -0.01 0.00 1.34 0.00 0.00 72.50 72.49 2k4i s THR 125 CO 0.46 -0.56 0.04 0.00 -0.54 0.00 0.00 174.62 174.02 2k4i s ALA 126 N -2.80 -0.06 -0.98 3.99 0.00 -1.26 -5.08 121.76 115.57 2k4i s ALA 126 Ca -0.03 -0.35 -0.24 0.00 0.00 0.00 0.00 51.96 51.34 2k4i s ALA 126 Cb 0.00 0.11 -0.06 0.00 0.00 0.00 0.00 23.12 23.17 2k4i s ALA 126 CO -0.05 -0.16 1.94 -1.25 0.00 0.00 0.00 175.76 176.24 2k4i s PRO 127 N -1.27 2.54 -0.25 0.00 0.04 -1.26 -4.85 135.00 129.95 2k4i s PRO 127 Ca -0.14 -0.52 -0.02 0.00 0.04 0.00 0.00 61.00 60.36 2k4i s PRO 127 Cb -0.08 -5.11 0.12 0.00 0.04 0.00 0.00 34.50 29.47 2k4i s PRO 127 CO -0.00 -3.53 0.32 -1.12 0.04 0.00 0.00 177.00 172.71 2k4i s SER 128 N 7.62 0.89 0.20 6.66 0.01 -1.26 -5.15 113.70 122.68 2k4i s SER 128 Ca 0.70 -0.17 -0.22 0.00 1.31 0.00 0.00 55.95 57.56 2k4i s SER 128 Cb -0.05 0.77 0.05 0.00 0.21 0.00 0.00 66.02 67.00 2k4i s SER 128 CO 0.03 -0.33 0.64 -0.55 0.41 0.00 0.00 173.24 173.43 2k4i s SER 129 N 2.44 -0.47 0.48 2.44 0.15 -1.26 -5.19 113.70 112.29 2k4i s SER 129 Ca 0.10 -0.19 0.01 0.00 0.70 0.00 0.00 55.95 56.57 2k4i s SER 129 Cb -0.15 0.64 0.01 0.00 -1.71 0.00 0.00 66.02 64.81 2k4i s SER 129 CO -0.20 -1.09 0.10 -1.84 1.20 0.00 0.00 173.24 171.41 2k4i n GLU 130 N -0.41 0.83 -4.14 5.44 0.28 -1.26 -5.17 120.64 116.22 2k4i n GLU 130 Ca -0.13 -3.37 -0.10 0.00 -0.16 0.00 0.00 57.16 53.41 2k4i n GLU 130 Cb 0.63 0.77 -0.10 0.00 1.43 0.00 0.00 31.44 34.17 2k4i n GLU 130 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2k4i s LYS 131 N -3.80 0.76 0.00 3.44 1.02 -1.26 -5.08 119.74 114.82 2k4i s LYS 131 Ca 0.07 -1.29 0.00 0.00 0.02 0.00 0.00 55.97 54.78 2k4i s LYS 131 Cb -0.01 -0.08 0.00 0.00 -0.52 0.00 0.00 37.83 37.22 2k4i s LYS 131 CO 0.05 -0.04 0.00 0.41 -0.92 0.00 0.00 175.35 174.84 2k4i n GLY 132 N 0.04 -1.80 3.77 -3.33 0.00 -1.26 -5.17 105.19 97.44 2k4i n GLY 132 Ca -0.13 0.66 -0.30 0.00 0.00 0.00 0.00 46.02 46.26 2k4i n GLY 132 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k4i s GLY 133 N 0.00 1.97 -0.91 -0.02 0.00 -1.26 -5.04 107.32 102.06 2k4i s GLY 133 Ca 0.00 -1.05 -0.24 0.00 0.00 0.00 0.00 44.72 43.42 2k4i s GLY 133 CO 0.00 -1.04 1.69 -1.31 0.00 0.00 0.00 173.10 172.45 2k4i s ASN 134 N -2.50 5.76 0.00 1.64 -0.87 -1.26 -5.37 114.94 112.35 2k4i s ASN 134 Ca 0.29 -0.86 0.00 0.00 -1.57 0.00 0.00 52.86 50.72 2k4i s ASN 134 Cb -0.12 -2.56 0.00 0.00 -0.02 0.00 0.00 41.25 38.55 2k4i s ASN 134 CO 0.22 -2.16 0.00 -1.22 -2.57 0.00 0.00 177.10 171.37