#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 -2.31 0.11 4.61 0.00 -1.26 -4.94 120.51 116.71 2k4i n ALA 3 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.64 2k4i n ALA 3 Cb 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 17.53 2k4i n ALA 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2k4i n ARG 4 N 2.73 0.00 -3.66 0.00 1.74 -1.26 -5.05 116.66 111.16 2k4i n ARG 4 Ca 0.16 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.95 2k4i n ARG 4 Cb 0.59 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.91 2k4i n ARG 4 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2k4i s ASN 5 N -2.59 3.25 0.52 0.55 2.20 -1.26 -5.08 114.94 112.52 2k4i s ASN 5 Ca 0.00 -3.20 0.00 0.00 -0.94 0.00 0.00 52.86 48.72 2k4i s ASN 5 Cb 0.00 -1.02 0.00 0.00 -2.00 0.00 0.00 41.25 38.23 2k4i s ASN 5 CO 0.00 -0.17 0.00 -1.20 -2.94 0.00 0.00 177.10 172.79 2k4i n SER 6 N 2.76 -7.32 0.00 3.54 7.64 -1.26 -5.02 113.62 113.96 2k4i n SER 6 Ca 0.20 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.25 2k4i n SER 6 Cb 0.39 -4.37 0.00 0.00 -1.01 0.00 0.00 64.21 59.23 2k4i n SER 6 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2k4i n VAL 7 N -4.11 0.00 -3.16 0.44 0.31 -1.26 -4.82 118.33 105.72 2k4i n VAL 7 Ca -0.07 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.07 2k4i n VAL 7 Cb 0.61 -0.46 0.03 0.00 -0.91 0.00 0.00 33.84 33.11 2k4i n VAL 7 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 2k4i s LEU 8 N -3.19 3.31 0.00 7.52 -0.00 -1.26 -5.12 118.68 119.94 2k4i s LEU 8 Ca 0.00 -0.71 0.00 0.00 -0.00 0.00 0.00 54.13 53.42 2k4i s LEU 8 Cb 0.00 -2.02 0.00 0.00 -0.00 0.00 0.00 46.19 44.17 2k4i s LEU 8 CO 0.00 -1.03 0.00 0.54 -0.00 0.00 0.00 176.35 175.86 2k4i n ARG 9 N -1.98 0.00 0.00 1.48 5.12 -1.26 -5.01 116.66 115.01 2k4i n ARG 9 Ca 0.10 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.02 2k4i n ARG 9 Cb 0.61 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.91 2k4i n ARG 9 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2k4i n GLY 10 N 0.00 1.41 0.01 -0.13 0.00 -1.26 -4.98 105.19 100.24 2k4i n GLY 10 Ca 0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 46.02 45.91 2k4i n GLY 10 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2k4i h LYS 11 N 0.00 0.00 -0.77 1.61 3.11 -2.01 -3.33 116.57 115.19 2k4i h LYS 11 Ca 0.00 0.00 0.20 0.00 -2.81 0.00 0.00 60.65 58.04 2k4i h LYS 11 Cb 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 31.19 2k4i h LYS 11 CO 0.00 0.00 0.54 1.57 -2.81 0.00 0.00 179.45 178.75 2k4i h LYS 12 N -0.15 0.13 -0.34 1.90 5.09 -1.98 0.20 116.57 121.42 2k4i h LYS 12 Ca 0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 60.65 60.72 2k4i h LYS 12 Cb 0.05 -0.03 -0.02 0.00 0.10 0.00 0.00 32.23 32.33 2k4i h LYS 12 CO 0.00 0.08 0.17 0.00 -2.09 0.00 0.00 179.45 177.61 2k4i h ALA 13 N 1.63 1.65 0.00 0.07 0.00 -1.94 0.32 119.26 121.00 2k4i h ALA 13 Ca 0.38 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 2k4i h ALA 13 Cb 1.29 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 2k4i h ALA 13 CO -0.05 0.29 -0.07 0.22 0.00 0.00 0.00 179.25 179.63 2k4i h ASP 14 N 0.47 0.00 0.00 0.00 3.58 -0.69 0.30 116.42 120.08 2k4i h ASP 14 Ca 0.12 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 57.23 2k4i h ASP 14 Cb 0.05 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.04 2k4i h ASP 14 CO -0.02 0.07 -2.28 1.21 -2.88 0.00 0.00 179.24 175.34 2k4i n GLU 15 N -3.44 0.90 0.02 0.28 2.13 -0.38 -4.22 120.64 115.92 2k4i n GLU 15 Ca -0.02 0.03 -0.19 0.00 0.66 0.00 0.00 57.16 57.64 2k4i n GLU 15 Cb 0.21 -1.47 -0.10 0.00 0.27 0.00 0.00 31.44 30.34 2k4i n GLU 15 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 2k4i h LEU 16 N 0.00 0.83 -0.43 4.31 3.38 -0.20 -3.04 115.31 120.17 2k4i h LEU 16 Ca -0.51 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 56.74 2k4i h LEU 16 Cb 2.06 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.55 2k4i h LEU 16 CO 0.00 1.44 0.00 -0.62 0.09 0.00 0.00 178.44 179.35 2k4i n GLU 17 N -3.96 0.09 0.02 1.13 1.02 0.10 -2.25 120.64 116.79 2k4i n GLU 17 Ca -0.10 0.39 -0.17 0.00 -0.02 0.00 0.00 57.16 57.26 2k4i n GLU 17 Cb 0.81 -1.69 -0.14 0.00 -0.02 0.00 0.00 31.44 30.40 2k4i n GLU 17 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2k4i h ARG 18 N 0.00 0.20 -6.80 3.49 1.12 -1.71 -3.45 114.38 107.23 2k4i h ARG 18 Ca 0.00 -0.34 -0.49 0.00 -1.11 0.00 0.00 59.98 58.04 2k4i h ARG 18 Cb 0.23 0.13 -0.00 0.00 -0.01 0.00 0.00 29.97 30.31 2k4i h ARG 18 CO 0.00 1.00 0.40 0.42 -3.11 0.00 0.00 179.97 178.68 2k4i s ILE 19 N -2.59 3.83 0.25 1.20 1.01 -0.96 -4.95 121.20 119.00 2k4i s ILE 19 Ca -0.14 1.79 0.09 0.00 0.00 0.00 0.00 60.65 62.40 2k4i s ILE 19 Cb 0.07 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 2k4i s ILE 19 CO 0.81 0.38 -0.02 -0.13 0.00 0.00 0.00 174.94 175.99 2k4i s ARG 20 N -1.44 2.27 0.18 2.79 0.52 -1.09 -1.93 118.95 120.24 2k4i s ARG 20 Ca 0.44 -1.39 0.06 0.00 -0.52 0.00 0.00 55.73 54.32 2k4i s ARG 20 Cb -0.27 -2.17 0.02 0.00 0.52 0.00 0.00 34.95 33.05 2k4i s ARG 20 CO 0.35 0.38 1.41 -0.07 0.02 0.00 0.00 175.30 177.38 2k4i h LEU 21 N 2.04 0.10 -9.36 2.53 3.38 -0.80 0.27 115.31 113.48 2k4i h LEU 21 Ca -0.45 -0.08 -0.59 0.00 0.09 0.00 0.00 57.88 56.85 2k4i h LEU 21 Cb 1.24 -0.03 -0.12 0.00 0.09 0.00 0.00 40.66 41.84 2k4i h LEU 21 CO 0.60 0.90 -0.71 -0.13 0.09 0.00 0.00 178.44 179.19 2k4i s ARG 22 N -3.14 1.92 0.28 1.13 0.52 -1.26 -3.74 118.95 114.65 2k4i s ARG 22 Ca -0.01 -1.66 0.06 0.00 -0.52 0.00 0.00 55.73 53.60 2k4i s ARG 22 Cb 0.11 -1.91 0.39 0.00 0.52 0.00 0.00 34.95 34.06 2k4i s ARG 22 CO 0.81 0.32 1.66 -1.00 0.02 0.00 0.00 175.30 177.11 2k4i h PRO 23 N 2.10 0.25 0.00 3.54 0.13 -1.94 -3.33 132.00 132.74 2k4i h PRO 23 Ca -0.42 -0.13 -0.14 0.00 -0.87 0.00 0.00 66.00 64.44 2k4i h PRO 23 Cb 1.26 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.08 2k4i h PRO 23 CO 0.61 0.66 -0.93 0.41 -0.23 0.00 0.00 178.00 178.52 2k4i n GLY 24 N -0.06 1.76 3.57 1.56 0.00 -1.26 -4.96 105.19 105.80 2k4i n GLY 24 Ca -0.02 -0.92 -0.19 0.00 0.00 0.00 0.00 46.02 44.89 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 0.19 2.14 1.38 -0.02 0.00 -1.25 -5.04 105.19 102.59 2k4i n GLY 25 Ca 0.08 -2.23 -0.10 0.00 0.00 0.00 0.00 46.02 43.77 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 -2.06 2.14 -3.78 1.61 4.81 -1.26 -4.87 118.16 114.75 2k4i n LYS 26 Ca 0.11 -3.34 -0.37 0.00 -0.87 0.00 0.00 58.31 53.84 2k4i n LYS 26 Cb 0.56 -1.92 -0.13 0.00 0.02 0.00 0.00 35.03 33.56 2k4i n LYS 26 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2k4i s LYS 27 N -3.35 2.96 -0.10 1.64 2.20 -1.26 -5.07 119.74 116.76 2k4i s LYS 27 Ca 0.47 -0.94 -0.02 0.00 -0.36 0.00 0.00 55.97 55.12 2k4i s LYS 27 Cb 0.42 -3.34 -0.03 0.00 -1.51 0.00 0.00 37.83 33.36 2k4i s LYS 27 CO -0.00 -0.48 -0.01 0.15 -0.36 0.00 0.00 175.35 174.65 2k4i s LYS 28 N 1.46 3.13 0.39 4.03 1.02 -1.26 -0.03 119.74 128.48 2k4i s LYS 28 Ca 0.01 -0.43 -0.25 0.00 0.02 0.00 0.00 55.97 55.32 2k4i s LYS 28 Cb -0.18 -2.82 -0.12 0.00 -0.52 0.00 0.00 37.83 34.19 2k4i s LYS 28 CO 0.02 0.60 0.94 0.66 -0.92 0.00 0.00 175.35 176.65 2k4i n TYR 29 N 2.45 0.95 -3.85 3.18 4.01 -0.81 -4.91 117.16 118.19 2k4i n TYR 29 Ca -0.18 0.60 -0.09 0.00 -0.16 0.00 0.00 57.90 58.07 2k4i n TYR 29 Cb 0.53 -2.20 -0.07 0.00 -0.31 0.00 0.00 39.34 37.29 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 -1.84 0.82 0.45 -0.72 3.52 -1.26 -4.18 118.95 115.74 2k4i s ARG 30 Ca 0.62 -0.88 0.31 0.00 -0.13 0.00 0.00 55.73 55.65 2k4i s ARG 30 Cb -0.60 0.34 1.42 0.00 -1.56 0.00 0.00 34.95 34.55 2k4i s ARG 30 CO 0.58 -0.26 1.65 -0.07 -0.81 0.00 0.00 175.30 176.38 2k4i h LEU 31 N 2.88 0.23 -0.93 -0.88 4.07 -1.96 0.55 115.31 119.28 2k4i h LEU 31 Ca -0.34 0.11 0.21 0.00 0.08 0.00 0.00 57.88 57.95 2k4i h LEU 31 Cb 1.20 0.10 -0.12 0.00 1.08 0.00 0.00 40.66 42.92 2k4i h LEU 31 CO 0.54 -0.13 0.49 0.11 -1.08 0.00 0.00 178.44 178.37 2k4i h LYS 32 N 0.11 0.51 -0.06 1.13 6.56 -1.99 0.40 116.57 123.23 2k4i h LYS 32 Ca 0.79 -0.03 -0.23 0.00 -1.06 0.00 0.00 60.65 60.12 2k4i h LYS 32 Cb 2.53 -0.12 0.01 0.00 -0.57 0.00 0.00 32.23 34.08 2k4i h LYS 32 CO -0.35 0.34 -0.88 0.45 -2.06 0.00 0.00 179.45 176.94 2k4i h HIS 33 N 0.53 0.86 -0.54 -1.35 3.86 -0.29 -2.91 115.15 115.30 2k4i h HIS 33 Ca 0.57 -0.42 -0.03 0.00 -1.16 0.00 0.00 60.37 59.33 2k4i h HIS 33 Cb 1.04 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 29.37 2k4i h HIS 33 CO -0.08 1.24 0.22 0.82 0.86 0.00 0.00 177.93 181.00 2k4i h ILE 34 N 0.38 1.19 -0.27 2.45 2.04 -0.92 -1.58 117.51 120.79 2k4i h ILE 34 Ca -0.08 -0.59 -0.14 0.00 1.00 0.00 0.00 64.86 65.05 2k4i h ILE 34 Cb 1.51 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 2k4i h ILE 34 CO 0.17 0.24 -0.42 0.58 0.00 0.00 0.00 178.15 178.72 2k4i h VAL 35 N 0.77 1.29 -0.26 1.67 2.07 -1.16 -1.94 116.25 118.70 2k4i h VAL 35 Ca 0.19 -1.60 -0.13 0.00 0.82 0.00 0.00 66.70 65.98 2k4i h VAL 35 Cb 0.14 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 2k4i h VAL 35 CO -0.02 0.51 -0.36 -0.25 0.02 0.00 0.00 177.57 177.47 2k4i h TRP 36 N 0.55 0.67 0.26 1.57 7.01 -1.24 -2.64 115.95 122.13 2k4i h TRP 36 Ca 0.04 -0.18 -0.01 0.00 2.11 0.00 0.00 58.89 60.85 2k4i h TRP 36 Cb 0.95 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 27.86 2k4i h TRP 36 CO 0.05 0.86 -0.13 0.00 -2.79 0.00 0.00 178.44 176.43 2k4i h ALA 37 N 1.12 -0.35 -0.65 2.65 0.00 -1.20 -3.14 119.26 117.68 2k4i h ALA 37 Ca 0.05 -0.20 0.19 0.00 0.00 0.00 0.00 54.91 54.95 2k4i h ALA 37 Cb 0.85 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 2k4i h ALA 37 CO 0.07 -0.44 0.48 0.00 0.00 0.00 0.00 179.25 179.36 2k4i h ALA 38 N -0.40 2.58 0.00 0.00 0.00 -1.40 0.32 119.26 120.36 2k4i h ALA 38 Ca -0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2k4i h ALA 38 Cb 0.51 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 2k4i h ALA 38 CO 0.06 -0.82 -0.13 -0.97 0.00 0.00 0.00 179.25 177.40 2k4i h ASN 39 N 0.00 0.00 0.03 0.00 -0.73 -1.42 -1.85 115.58 111.61 2k4i h ASN 39 Ca 0.31 0.00 -0.07 0.00 1.87 0.00 0.00 56.30 58.41 2k4i h ASN 39 Cb 1.27 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.86 2k4i h ASN 39 CO -0.00 0.13 -0.34 0.50 -0.37 0.00 0.00 177.43 177.34 2k4i h LYS 40 N 0.00 0.06 -0.11 6.67 1.63 -0.42 -3.21 116.57 121.19 2k4i h LYS 40 Ca -0.00 -0.11 0.03 0.00 -0.85 0.00 0.00 60.65 59.72 2k4i h LYS 40 Cb 0.27 0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 31.94 2k4i h LYS 40 CO 0.02 1.05 0.09 -0.07 -3.45 0.00 0.00 179.45 177.09 2k4i h LEU 41 N -0.86 0.00 0.49 5.20 3.38 -1.34 -2.41 115.31 119.77 2k4i h LEU 41 Ca -0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 2k4i h LEU 41 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2k4i h LEU 41 CO 0.01 0.00 -0.23 0.44 0.09 0.00 0.00 178.44 178.74 2k4i h ASP 42 N 0.00 -0.55 -0.74 -0.43 5.19 -1.36 0.48 116.42 119.01 2k4i h ASP 42 Ca 0.05 -0.05 0.15 0.00 -0.62 0.00 0.00 57.03 56.56 2k4i h ASP 42 Cb 0.24 0.14 -0.10 0.00 0.18 0.00 0.00 39.33 39.79 2k4i h ASP 42 CO -0.00 -0.14 0.25 -0.09 -3.12 0.00 0.00 179.24 176.14 2k4i h ARG 43 N -1.09 0.36 0.12 3.56 9.65 -1.49 -2.49 114.38 123.00 2k4i h ARG 43 Ca -0.07 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.79 2k4i h ARG 43 Cb 0.57 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.07 2k4i h ARG 43 CO 0.11 0.24 -0.06 0.74 2.80 0.00 0.00 179.97 183.80 2k4i h PHE 44 N 0.37 -0.15 0.00 2.20 0.04 -1.48 -3.49 116.94 114.43 2k4i h PHE 44 Ca 0.41 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.18 2k4i h PHE 44 Cb 0.65 0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.85 2k4i h PHE 44 CO -0.20 0.33 0.00 0.41 -0.60 0.00 0.00 178.31 178.25 2k4i n GLY 45 N 0.48 1.54 3.36 -1.45 0.00 0.15 -5.10 105.19 104.18 2k4i n GLY 45 Ca -0.08 -0.09 -0.58 0.00 0.00 0.00 0.00 46.02 45.27 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 0.26 -4.78 0.99 4.77 -0.26 -4.67 117.00 113.31 2k4i n LEU 46 Ca 0.00 1.10 -0.34 0.00 -0.03 0.00 0.00 56.01 56.74 2k4i n LEU 46 Cb 0.00 -0.86 0.00 0.00 -2.33 0.00 0.00 43.42 40.23 2k4i n LEU 46 CO 0.00 -1.57 0.75 0.00 -1.33 0.00 0.00 177.39 175.25 2k4i s ALA 47 N 0.67 2.70 0.03 -1.18 0.00 -1.26 -3.42 121.76 119.29 2k4i s ALA 47 Ca 0.89 0.67 0.16 0.00 0.00 0.00 0.00 51.96 53.68 2k4i s ALA 47 Cb -1.25 -3.31 0.32 0.00 0.00 0.00 0.00 23.12 18.88 2k4i s ALA 47 CO 0.59 -0.77 1.56 1.05 0.00 0.00 0.00 175.76 178.20 2k4i h GLU 48 N 0.96 0.00 0.00 0.00 9.09 -1.89 -3.05 114.58 119.69 2k4i h GLU 48 Ca -0.49 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.92 2k4i h GLU 48 Cb 1.24 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.34 2k4i h GLU 48 CO 0.57 0.50 0.00 0.43 0.05 0.00 0.00 179.01 180.56 2k4i n SER 49 N -3.39 0.32 -0.31 3.06 7.64 -1.26 -1.02 113.62 118.65 2k4i n SER 49 Ca 0.01 0.63 0.06 0.00 1.01 0.00 0.00 58.87 60.57 2k4i n SER 49 Cb 0.65 -0.67 0.26 0.00 -1.01 0.00 0.00 64.21 63.44 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 -1.90 0.91 -0.58 -3.43 4.77 -1.15 -3.35 117.00 112.27 2k4i n LEU 50 Ca 0.00 -0.42 0.13 0.00 -0.03 0.00 0.00 56.01 55.69 2k4i n LEU 50 Cb 0.07 -0.09 0.32 0.00 -2.33 0.00 0.00 43.42 41.39 2k4i n LEU 50 CO 0.08 0.21 0.70 0.18 -1.33 0.00 0.00 177.39 177.24 2k4i n LEU 51 N -0.09 1.91 -0.01 2.23 4.77 -0.19 -2.68 117.00 122.94 2k4i n LEU 51 Ca 0.10 -0.63 0.10 0.00 -0.03 0.00 0.00 56.01 55.55 2k4i n LEU 51 Cb 0.18 -0.02 -0.14 0.00 -2.33 0.00 0.00 43.42 41.11 2k4i n LEU 51 CO 0.08 0.33 -0.46 -1.84 -1.33 0.00 0.00 177.39 174.16 2k4i n GLU 52 N 0.35 0.59 -4.96 3.23 0.28 -1.21 -4.92 120.64 113.98 2k4i n GLU 52 Ca 0.15 -0.11 -0.32 0.00 -0.16 0.00 0.00 57.16 56.72 2k4i n GLU 52 Cb 0.44 -1.46 -0.14 0.00 1.43 0.00 0.00 31.44 31.71 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 -3.73 3.80 0.18 -1.84 1.04 -1.25 -4.94 113.70 106.96 2k4i s SER 53 Ca -0.01 -0.29 -0.13 0.00 0.48 0.00 0.00 55.95 56.00 2k4i s SER 53 Cb 0.14 -0.92 0.14 0.00 0.10 0.00 0.00 66.02 65.47 2k4i s SER 53 CO 0.82 0.30 1.79 0.07 0.98 0.00 0.00 173.24 177.20 2k4i h LYS 54 N 5.68 0.51 -0.39 4.02 2.10 -1.86 -2.16 116.57 124.47 2k4i h LYS 54 Ca -0.41 -0.03 0.07 0.00 -2.00 0.00 0.00 60.65 58.29 2k4i h LYS 54 Cb 1.16 -0.11 -0.07 0.00 -0.90 0.00 0.00 32.23 32.31 2k4i h LYS 54 CO 0.50 0.34 -0.02 1.49 -2.00 0.00 0.00 179.45 179.76 2k4i h GLU 55 N 0.52 0.08 -0.73 0.07 4.81 -1.95 0.16 114.58 117.54 2k4i h GLU 55 Ca 0.23 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 2k4i h GLU 55 Cb 0.12 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 2k4i h GLU 55 CO -0.15 0.05 0.46 0.78 -0.73 0.00 0.00 179.01 179.42 2k4i h GLY 56 N 0.08 1.04 2.00 1.92 0.00 -1.62 -1.74 103.07 104.75 2k4i h GLY 56 Ca 0.19 -0.41 -0.09 0.00 0.00 0.00 0.00 47.33 47.02 2k4i h GLY 56 CO -0.34 0.40 -0.43 0.00 0.00 0.00 0.00 176.54 176.17 2k4i h GLN 58 N 0.00 0.84 0.00 0.00 4.15 0.20 -1.98 115.11 118.32 2k4i h GLN 58 Ca -0.00 -0.27 0.00 0.00 0.77 0.00 0.00 58.65 59.14 2k4i h GLN 58 Cb 1.05 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.66 2k4i h GLN 58 CO 0.06 0.89 0.00 1.63 -1.93 0.00 0.00 178.83 179.48 2k4i n LYS 59 N -4.17 0.23 -0.04 1.69 5.02 -1.09 -3.32 118.16 116.48 2k4i n LYS 59 Ca 0.02 0.05 -0.22 0.00 -2.02 0.00 0.00 58.31 56.14 2k4i n LYS 59 Cb 0.36 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.74 2k4i n LYS 59 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2k4i n ILE 60 N -1.36 1.68 0.27 -0.18 5.41 -0.80 -4.00 119.36 120.38 2k4i n ILE 60 Ca 0.10 -0.48 0.14 0.00 1.00 0.00 0.00 62.75 63.51 2k4i n ILE 60 Cb 0.24 -1.79 0.78 0.00 -0.71 0.00 0.00 39.64 38.16 2k4i n ILE 60 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2k4i h LEU 61 N -0.26 0.00 -0.59 1.39 3.38 -1.44 -1.96 115.31 115.83 2k4i h LEU 61 Ca -0.44 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.38 2k4i h LEU 61 Cb 1.82 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.56 2k4i h LEU 61 CO -0.03 0.09 -0.62 0.00 0.09 0.00 0.00 178.44 177.97 2k4i h THR 62 N 0.00 1.38 0.00 0.22 1.03 -1.71 0.32 112.91 114.15 2k4i h THR 62 Ca -0.00 -1.99 -0.19 0.00 -0.01 0.00 0.00 66.41 64.22 2k4i h THR 62 Cb 0.29 2.00 -0.03 0.00 -1.07 0.00 0.00 68.15 69.34 2k4i h THR 62 CO 0.01 0.59 -0.99 0.58 -0.01 0.00 0.00 175.52 175.70 2k4i h VAL 63 N 0.22 1.28 0.00 0.00 2.07 -1.52 -3.30 116.25 115.01 2k4i h VAL 63 Ca -0.01 -2.90 -0.04 0.00 0.82 0.00 0.00 66.70 64.58 2k4i h VAL 63 Cb 1.14 2.61 -0.01 0.00 -1.52 0.00 0.00 31.29 33.52 2k4i h VAL 63 CO 0.10 0.73 -1.09 0.18 0.02 0.00 0.00 177.57 177.51 2k4i n LEU 64 N -3.24 0.86 0.22 2.57 4.77 -0.80 -3.86 117.00 117.51 2k4i n LEU 64 Ca -0.02 0.34 -0.14 0.00 -0.03 0.00 0.00 56.01 56.15 2k4i n LEU 64 Cb 0.89 -0.03 -0.08 0.00 -2.33 0.00 0.00 43.42 41.87 2k4i n LEU 64 CO 0.45 -0.11 0.52 0.44 -1.33 0.00 0.00 177.39 177.35 2k4i h ASP 65 N 0.00 -1.14 0.56 -1.43 3.32 -0.43 -0.18 116.42 117.12 2k4i h ASP 65 Ca -0.04 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2k4i h ASP 65 Cb 1.13 0.38 0.00 0.00 0.22 0.00 0.00 39.33 41.06 2k4i h ASP 65 CO 0.01 -0.53 0.00 -0.81 -1.72 0.00 0.00 179.24 176.19 2k4i n PRO 66 N -4.87 0.06 0.06 3.56 -0.04 -1.26 -2.05 135.00 130.45 2k4i n PRO 66 Ca -0.09 0.30 0.12 0.00 -0.04 0.00 0.00 63.50 63.79 2k4i n PRO 66 Cb 0.37 -1.61 0.12 0.00 -0.04 0.00 0.00 33.50 32.34 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 0.80 0.54 2.86 -1.48 -3.36 114.93 114.30 2k4i h MET 67 Ca 0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 2k4i h MET 67 Cb 0.28 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.95 2k4i h MET 67 CO 0.00 0.00 -0.38 0.28 1.06 0.00 0.00 176.91 177.87 2k4i h VAL 68 N 0.00 0.09 0.00 -2.22 2.07 -0.46 0.26 116.25 115.98 2k4i h VAL 68 Ca 0.00 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2k4i h VAL 68 Cb 0.77 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 2k4i h VAL 68 CO 0.00 0.01 0.00 -0.81 0.02 0.00 0.00 177.57 176.79 2k4i n PRO 69 N -5.50 0.42 -2.83 1.57 -0.04 -1.26 -3.40 135.00 123.95 2k4i n PRO 69 Ca -0.14 0.04 -0.11 0.00 -0.04 0.00 0.00 63.50 63.25 2k4i n PRO 69 Cb 0.43 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.07 0.10 -3.86 0.52 -2.24 -1.06 -5.13 114.28 101.53 2k4i n THR 70 Ca 0.11 -2.54 -0.09 0.00 -2.27 0.00 0.00 64.05 59.26 2k4i n THR 70 Cb 0.07 0.81 -0.05 0.00 -2.10 0.00 0.00 70.33 69.06 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 -1.83 0.21 0.86 3.38 0.00 0.88 -4.74 107.32 106.08 2k4i s GLY 71 Ca 0.27 -0.56 -0.13 0.00 0.00 0.00 0.00 44.72 44.31 2k4i s GLY 71 CO -0.05 -0.50 1.22 -1.35 0.00 0.00 0.00 173.10 172.41 2k4i s SER 72 N -2.93 3.93 0.25 1.64 1.04 -1.26 -4.87 113.70 111.50 2k4i s SER 72 Ca 0.14 0.48 -0.03 0.00 0.48 0.00 0.00 55.95 57.02 2k4i s SER 72 Cb 0.00 -0.78 0.31 0.00 0.10 0.00 0.00 66.02 65.65 2k4i s SER 72 CO 0.01 -2.23 1.78 -0.33 0.98 0.00 0.00 173.24 173.44 2k4i h GLU 73 N -1.24 0.88 0.00 4.02 3.07 -1.99 -1.82 114.58 117.50 2k4i h GLU 73 Ca -0.45 -0.21 0.00 0.00 -0.50 0.00 0.00 59.36 58.20 2k4i h GLU 73 Cb 1.28 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 2k4i h GLU 73 CO 0.52 0.82 0.03 -0.97 -1.40 0.00 0.00 179.01 178.01 2k4i h ASN 74 N 0.84 0.00 0.03 1.42 -0.73 -2.01 -2.14 115.58 112.98 2k4i h ASN 74 Ca 0.17 0.00 -0.35 0.00 1.87 0.00 0.00 56.30 57.99 2k4i h ASN 74 Cb 0.37 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 38.92 2k4i h ASN 74 CO 0.01 0.00 -1.98 -0.11 -0.37 0.00 0.00 177.43 174.97 2k4i n LEU 75 N -2.92 2.27 -0.32 0.34 0.00 -0.75 -4.27 117.00 111.36 2k4i n LEU 75 Ca -0.03 0.25 0.12 0.00 0.00 0.00 0.00 56.01 56.35 2k4i n LEU 75 Cb 0.09 -0.96 0.34 0.00 0.00 0.00 0.00 43.42 42.89 2k4i n LEU 75 CO 0.18 0.61 1.22 0.11 0.00 0.00 0.00 177.39 179.51 2k4i h LYS 76 N -0.56 0.74 -0.62 1.96 1.57 -0.92 -0.83 116.57 117.92 2k4i h LYS 76 Ca -0.50 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.31 2k4i h LYS 76 Cb 1.67 -0.17 -0.06 0.00 0.08 0.00 0.00 32.23 33.75 2k4i h LYS 76 CO -0.17 0.49 0.30 0.77 -0.57 0.00 0.00 179.45 180.27 2k4i h SER 77 N 0.77 0.39 -0.65 0.86 0.02 -1.59 -1.51 113.55 111.83 2k4i h SER 77 Ca 0.50 0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 61.47 2k4i h SER 77 Cb 0.76 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.26 2k4i h SER 77 CO -0.27 0.24 0.26 0.25 -1.14 0.00 0.00 176.83 176.17 2k4i h LEU 78 N 0.54 0.91 -1.11 5.07 5.85 -1.34 -2.29 115.31 122.94 2k4i h LEU 78 Ca 0.30 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.87 2k4i h LEU 78 Cb 0.28 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 2k4i h LEU 78 CO -0.24 0.83 0.60 0.15 -0.34 0.00 0.00 178.44 179.45 2k4i h PHE 79 N 0.92 1.13 -0.55 1.25 3.57 -0.97 0.18 116.94 122.47 2k4i h PHE 79 Ca 0.22 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.63 2k4i h PHE 79 Cb 0.21 -0.38 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 2k4i h PHE 79 CO 0.01 0.68 -0.10 -0.91 -2.23 0.00 0.00 178.31 175.76 2k4i h ASN 80 N 1.19 1.03 0.07 0.41 4.21 -0.95 -2.66 115.58 118.89 2k4i h ASN 80 Ca 0.35 -0.34 -0.00 0.00 1.21 0.00 0.00 56.30 57.52 2k4i h ASN 80 Cb -0.05 -0.28 0.00 0.00 -1.12 0.00 0.00 38.32 36.87 2k4i h ASN 80 CO -0.10 1.14 -0.04 0.74 -1.29 0.00 0.00 177.43 177.88 2k4i h THR 81 N 0.92 1.21 -0.56 2.81 2.02 -0.83 -3.11 112.91 115.36 2k4i h THR 81 Ca 0.14 -1.19 0.16 0.00 0.77 0.00 0.00 66.41 66.30 2k4i h THR 81 Cb 0.67 1.95 -0.02 0.00 -1.74 0.00 0.00 68.15 69.01 2k4i h THR 81 CO 0.05 0.28 0.49 0.58 0.37 0.00 0.00 175.52 177.29 2k4i h VAL 82 N -0.66 0.48 -0.27 3.16 2.07 -0.71 0.25 116.25 120.58 2k4i h VAL 82 Ca -0.01 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.38 2k4i h VAL 82 Cb 0.54 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 2k4i h VAL 82 CO 0.02 0.00 -0.36 0.00 0.02 0.00 0.00 177.57 177.24 2k4i h VAL 84 N 0.51 1.29 -0.59 0.00 2.07 -0.56 -3.12 116.25 115.85 2k4i h VAL 84 Ca 0.05 -2.65 -0.00 0.00 0.82 0.00 0.00 66.70 64.92 2k4i h VAL 84 Cb 0.86 2.99 -0.03 0.00 -1.52 0.00 0.00 31.29 33.59 2k4i h VAL 84 CO 0.07 0.79 0.35 0.40 0.02 0.00 0.00 177.57 179.21 2k4i h ILE 85 N 0.15 1.18 -0.54 4.57 1.08 -1.20 -2.32 117.51 120.43 2k4i h ILE 85 Ca -0.24 -0.39 -0.04 0.00 -0.39 0.00 0.00 64.86 63.79 2k4i h ILE 85 Cb 2.11 0.37 -0.03 0.00 -3.07 0.00 0.00 36.82 36.20 2k4i h ILE 85 CO 0.27 0.18 0.16 -0.25 -0.69 0.00 0.00 178.15 177.82 2k4i h TRP 86 N 0.80 0.83 0.83 1.37 7.01 -1.48 -2.96 115.95 122.35 2k4i h TRP 86 Ca 0.21 -0.07 -0.04 0.00 2.11 0.00 0.00 58.89 61.11 2k4i h TRP 86 Cb -0.02 -0.25 0.01 0.00 -2.10 0.00 0.00 29.16 26.80 2k4i h TRP 86 CO -0.02 0.68 -0.40 0.00 -2.79 0.00 0.00 178.44 175.92 2k4i h ILE 88 N -1.16 0.28 0.06 0.00 2.04 -1.41 0.59 117.51 117.91 2k4i h ILE 88 Ca -0.11 -0.08 -0.26 0.00 1.00 0.00 0.00 64.86 65.41 2k4i h ILE 88 Cb 0.85 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 2k4i h ILE 88 CO 0.19 0.04 -1.25 0.45 0.00 0.00 0.00 178.15 177.58 2k4i h HIS 89 N 0.23 0.22 0.00 1.37 3.86 -1.33 -3.23 115.15 116.27 2k4i h HIS 89 Ca 0.74 -0.16 0.00 0.00 -1.16 0.00 0.00 60.37 59.78 2k4i h HIS 89 Cb 2.05 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 30.51 2k4i h HIS 89 CO -0.01 1.15 0.00 0.00 0.86 0.00 0.00 177.93 179.93 2k4i n ALA 90 N -2.48 2.40 -2.78 2.45 0.00 0.19 -4.73 120.51 115.55 2k4i n ALA 90 Ca -0.07 -0.15 -0.11 0.00 0.00 0.00 0.00 53.44 53.11 2k4i n ALA 90 Cb 1.00 -1.42 0.05 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 -1.11 -2.52 -5.03 0.00 4.71 -0.37 -4.98 120.64 111.33 2k4i n GLU 91 Ca 0.17 0.59 -0.28 0.00 -0.01 0.00 0.00 57.16 57.62 2k4i n GLU 91 Cb 0.13 -4.56 -0.16 0.00 -1.01 0.00 0.00 31.44 25.84 2k4i n GLU 91 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 2k4i s GLU 92 N -4.27 1.96 -0.25 3.49 0.41 -1.15 -4.76 118.70 114.13 2k4i s GLU 92 Ca 0.21 -0.75 -0.27 0.00 -0.41 0.00 0.00 54.97 53.75 2k4i s GLU 92 Cb -0.03 -1.76 0.01 0.00 -1.78 0.00 0.00 34.13 30.57 2k4i s GLU 92 CO 0.50 0.37 0.96 0.15 -0.49 0.00 0.00 175.26 176.75 2k4i s LYS 93 N -0.23 4.20 0.10 1.61 1.02 -1.26 -4.60 119.74 120.57 2k4i s LYS 93 Ca 0.01 1.16 0.01 0.00 0.02 0.00 0.00 55.97 57.17 2k4i s LYS 93 Cb -0.11 -3.66 -0.00 0.00 -0.52 0.00 0.00 37.83 33.54 2k4i s LYS 93 CO 0.01 -0.62 0.03 1.33 -0.92 0.00 0.00 175.35 175.18 2k4i n VAL 94 N 5.36 0.00 0.00 3.17 0.24 -1.26 -5.00 118.33 120.84 2k4i n VAL 94 Ca 0.10 -0.53 0.00 0.00 -2.04 0.00 0.00 64.34 61.87 2k4i n VAL 94 Cb 0.47 0.17 0.00 0.00 -1.47 0.00 0.00 33.84 33.01 2k4i n VAL 94 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2k4i n LYS 95 N -0.22 0.00 -2.51 7.34 4.76 -1.26 -5.02 118.16 121.26 2k4i n LYS 95 Ca -0.02 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.37 2k4i n LYS 95 Cb 0.14 -0.43 -0.02 0.00 -1.84 0.00 0.00 35.03 32.88 2k4i n LYS 95 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2k4i n ASP 96 N -1.66 -0.26 -0.00 4.39 5.68 -1.26 -2.68 116.55 120.76 2k4i n ASP 96 Ca 0.00 -1.59 -0.13 0.00 -0.50 0.00 0.00 54.79 52.57 2k4i n ASP 96 Cb 0.00 0.55 -0.10 0.00 -1.14 0.00 0.00 41.12 40.43 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 1.30 1.34 -0.98 2.12 2.02 -1.02 -2.44 112.91 115.25 2k4i h THR 97 Ca -0.07 -1.20 0.06 0.00 0.77 0.00 0.00 66.41 65.97 2k4i h THR 97 Cb 0.34 2.14 -0.06 0.00 -1.74 0.00 0.00 68.15 68.82 2k4i h THR 97 CO 0.10 0.30 0.64 -0.33 0.37 0.00 0.00 175.52 176.60 2k4i h GLU 98 N -0.56 1.14 0.09 6.66 4.39 -1.87 0.14 114.58 124.57 2k4i h GLU 98 Ca -0.00 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 2k4i h GLU 98 Cb 0.52 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 2k4i h GLU 98 CO 0.01 0.75 -0.04 0.78 -1.16 0.00 0.00 179.01 179.34 2k4i h GLY 99 N 1.17 -0.13 2.00 -3.84 0.00 -1.95 -2.74 103.07 97.58 2k4i h GLY 99 Ca 0.41 0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.75 2k4i h GLY 99 CO -0.15 -0.05 -0.17 0.00 0.00 0.00 0.00 176.54 176.17 2k4i h ALA 100 N 0.55 1.14 -0.46 3.60 0.00 -1.15 -2.76 119.26 120.17 2k4i h ALA 100 Ca -0.01 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 2k4i h ALA 100 Cb 0.28 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2k4i h ALA 100 CO 0.02 0.21 -0.11 0.87 0.00 0.00 0.00 179.25 180.25 2k4i h LYS 101 N 0.00 0.83 -0.13 0.00 1.57 -0.50 -1.97 116.57 116.36 2k4i h LYS 101 Ca -0.00 -0.28 -0.20 0.00 -1.87 0.00 0.00 60.65 58.30 2k4i h LYS 101 Cb 0.54 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.79 2k4i h LYS 101 CO 0.02 0.90 -0.71 1.96 -0.57 0.00 0.00 179.45 181.06 2k4i h GLN 102 N 0.75 0.60 -0.48 3.15 1.08 -1.21 -2.66 115.11 116.33 2k4i h GLN 102 Ca 0.12 -0.46 -0.04 0.00 -1.45 0.00 0.00 58.65 56.82 2k4i h GLN 102 Cb 0.61 0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 28.11 2k4i h GLN 102 CO 0.04 1.09 0.13 0.82 -0.95 0.00 0.00 178.83 179.95 2k4i h ILE 103 N 0.42 1.24 -0.03 2.54 2.04 -1.37 -2.45 117.51 119.89 2k4i h ILE 103 Ca -0.03 -0.81 -0.00 0.00 1.00 0.00 0.00 64.86 65.01 2k4i h ILE 103 Cb 1.30 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 38.22 2k4i h ILE 103 CO 0.13 0.29 0.01 0.58 0.00 0.00 0.00 178.15 179.17 2k4i h VAL 104 N 0.66 1.16 -0.13 1.67 2.07 -1.38 -3.00 116.25 117.29 2k4i h VAL 104 Ca 0.15 -0.46 0.05 0.00 0.82 0.00 0.00 66.70 67.26 2k4i h VAL 104 Cb 0.31 1.41 -0.06 0.00 -1.52 0.00 0.00 31.29 31.43 2k4i h VAL 104 CO -0.00 0.13 -0.30 -0.09 0.02 0.00 0.00 177.57 177.32 2k4i h ARG 105 N -0.14 -0.36 -1.08 1.57 1.12 -1.42 0.21 114.38 114.27 2k4i h ARG 105 Ca 0.01 0.02 0.30 0.00 -1.11 0.00 0.00 59.98 59.20 2k4i h ARG 105 Cb 0.19 0.08 -0.07 0.00 -0.01 0.00 0.00 29.97 30.17 2k4i h ARG 105 CO -0.00 -0.24 0.74 -0.09 -3.11 0.00 0.00 179.97 177.27 2k4i h ARG 106 N -0.37 0.19 0.04 0.20 2.43 -1.42 0.18 114.38 115.62 2k4i h ARG 106 Ca 0.10 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.17 2k4i h ARG 106 Cb 0.53 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 2k4i h ARG 106 CO -0.35 0.12 -0.44 0.45 -1.51 0.00 0.00 179.97 178.25 2k4i h HIS 107 N 0.19 0.15 -0.56 2.20 3.86 -0.81 -2.96 115.15 117.21 2k4i h HIS 107 Ca 0.56 -0.11 0.02 0.00 -1.16 0.00 0.00 60.37 59.68 2k4i h HIS 107 Cb 1.83 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 30.26 2k4i h HIS 107 CO -0.00 1.17 0.37 -0.07 0.86 0.00 0.00 177.93 180.26 2k4i h LEU 108 N -0.82 0.60 -0.83 2.43 3.38 0.56 -0.03 115.31 120.61 2k4i h LEU 108 Ca -0.10 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.74 2k4i h LEU 108 Cb 1.23 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 2k4i h LEU 108 CO 0.01 0.43 -0.55 0.58 0.09 0.00 0.00 178.44 178.99 2k4i h VAL 109 N 0.71 1.39 0.05 1.22 2.07 -0.82 -0.37 116.25 120.50 2k4i h VAL 109 Ca 0.22 -1.89 -0.23 0.00 0.82 0.00 0.00 66.70 65.61 2k4i h VAL 109 Cb 0.00 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 2k4i h VAL 109 CO -0.05 0.55 -1.06 0.00 0.02 0.00 0.00 177.57 177.02 2k4i h ALA 110 N 1.37 0.30 0.06 1.67 0.00 -1.07 -2.92 119.26 118.67 2k4i h ALA 110 Ca -0.00 -0.83 -0.24 0.00 0.00 0.00 0.00 54.91 53.84 2k4i h ALA 110 Cb 1.00 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2k4i h ALA 110 CO 0.08 1.01 -1.10 1.49 0.00 0.00 0.00 179.25 180.72 2k4i h GLU 111 N 0.08 0.15 -0.83 0.00 4.81 -0.96 -3.24 114.58 114.57 2k4i h GLU 111 Ca -0.08 -0.24 -0.24 0.00 -0.13 0.00 0.00 59.36 58.68 2k4i h GLU 111 Cb 1.76 0.09 -0.14 0.00 0.63 0.00 0.00 28.75 31.09 2k4i h GLU 111 CO 0.16 1.10 0.30 2.41 -0.73 0.00 0.00 179.01 182.25 2k4i n THR 112 N -3.47 2.65 -0.07 0.32 -1.04 -0.16 -4.16 114.28 108.35 2k4i n THR 112 Ca -0.04 -1.43 -0.07 0.00 -2.04 0.00 0.00 64.05 60.47 2k4i n THR 112 Cb 0.97 -0.44 -0.11 0.00 -1.82 0.00 0.00 70.33 68.93 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 -0.24 -0.70 0.30 3.41 0.00 -1.10 -4.48 105.19 102.38 2k4i n GLY 113 Ca 0.38 -0.24 0.08 0.00 0.00 0.00 0.00 46.02 46.25 2k4i n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k4i h THR 114 N 0.00 1.00 0.00 2.61 1.03 -1.74 -0.45 112.91 115.36 2k4i h THR 114 Ca -0.38 -0.08 -0.02 0.00 -0.01 0.00 0.00 66.41 65.92 2k4i h THR 114 Cb 1.86 0.75 -0.00 0.00 -1.07 0.00 0.00 68.15 69.69 2k4i h THR 114 CO 0.02 0.04 -0.11 0.00 -0.01 0.00 0.00 175.52 175.47 2k4i h ALA 115 N 1.86 1.43 -0.70 0.00 0.00 -1.84 -1.82 119.26 118.18 2k4i h ALA 115 Ca 0.10 -0.10 -0.33 0.00 0.00 0.00 0.00 54.91 54.58 2k4i h ALA 115 Cb 0.12 -0.02 -0.20 0.00 0.00 0.00 0.00 17.79 17.69 2k4i h ALA 115 CO -0.02 0.13 0.32 -1.91 0.00 0.00 0.00 179.25 177.77 2k4i n GLU 116 N -3.83 2.36 -0.07 0.00 2.13 -0.19 -4.38 120.64 116.66 2k4i n GLU 116 Ca -0.02 -3.08 -0.09 0.00 0.66 0.00 0.00 57.16 54.63 2k4i n GLU 116 Cb 0.20 -2.05 -0.15 0.00 0.27 0.00 0.00 31.44 29.72 2k4i n GLU 116 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2k4i n LYS 117 N -0.96 0.67 -3.20 5.31 3.00 -0.68 -5.03 118.16 117.26 2k4i n LYS 117 Ca 0.46 0.11 -0.10 0.00 -0.00 0.00 0.00 58.31 58.78 2k4i n LYS 117 Cb 1.38 -1.63 0.05 0.00 0.00 0.00 0.00 35.03 34.82 2k4i n LYS 117 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 2k4i n MET 118 N -2.87 -1.95 -0.19 1.64 2.81 -1.26 -5.01 117.12 110.29 2k4i n MET 118 Ca -0.26 1.06 -0.05 0.00 -1.81 0.00 0.00 57.70 56.64 2k4i n MET 118 Cb 1.11 -5.80 0.05 0.00 -0.71 0.00 0.00 33.22 27.87 2k4i n MET 118 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 2k4i n PRO 119 N -2.78 -1.41 -0.56 0.03 -0.04 -1.26 -5.04 135.00 123.94 2k4i n PRO 119 Ca -0.05 -0.32 -0.24 0.00 -0.04 0.00 0.00 63.50 62.86 2k4i n PRO 119 Cb 0.58 -0.30 0.21 0.00 -0.04 0.00 0.00 33.50 33.96 2k4i n PRO 119 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2k4i n SER 120 N -3.34 -2.60 -4.53 3.54 3.41 -1.26 -4.95 113.62 103.89 2k4i n SER 120 Ca 0.03 -0.89 -0.36 0.00 -0.26 0.00 0.00 58.87 57.39 2k4i n SER 120 Cb 0.11 -0.78 0.08 0.00 -0.26 0.00 0.00 64.21 63.36 2k4i n SER 120 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2k4i n THR 121 N -4.70 2.09 -2.26 6.66 -2.24 -1.26 -4.90 114.28 107.68 2k4i n THR 121 Ca 0.11 -0.37 -0.42 0.00 -2.27 0.00 0.00 64.05 61.11 2k4i n THR 121 Cb 0.46 -0.90 -0.03 0.00 -2.10 0.00 0.00 70.33 67.77 2k4i n THR 121 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2k4i s SER 122 N -1.60 6.92 0.02 3.42 1.04 -1.26 -5.03 113.70 117.21 2k4i s SER 122 Ca 0.68 2.23 0.02 0.00 0.48 0.00 0.00 55.95 59.37 2k4i s SER 122 Cb -0.34 -2.59 -0.01 0.00 0.10 0.00 0.00 66.02 63.18 2k4i s SER 122 CO 0.55 -0.57 -0.08 0.00 0.98 0.00 0.00 173.24 174.12 2k4i s ARG 123 N 0.91 0.55 0.20 4.02 3.03 -1.26 -5.13 118.95 121.26 2k4i s ARG 123 Ca 0.61 -0.47 -0.30 0.00 2.03 0.00 0.00 55.73 57.61 2k4i s ARG 123 Cb -0.34 -0.46 -0.09 0.00 -1.03 0.00 0.00 34.95 33.03 2k4i s ARG 123 CO 0.31 0.11 1.30 -1.25 -1.13 0.00 0.00 175.30 174.64 2k4i s PRO 124 N -0.76 4.40 -0.19 3.89 0.04 -1.26 -5.02 135.00 136.10 2k4i s PRO 124 Ca -0.02 2.04 -0.28 0.00 0.04 0.00 0.00 61.00 62.78 2k4i s PRO 124 Cb -0.06 -3.20 0.12 0.00 0.04 0.00 0.00 34.50 31.41 2k4i s PRO 124 CO 0.00 -0.24 0.97 0.99 0.04 0.00 0.00 177.00 178.77 2k4i s THR 125 N 0.08 0.00 0.42 1.26 2.01 -1.26 -5.16 115.64 112.99 2k4i s THR 125 Ca 0.56 0.00 -0.23 0.00 0.31 0.00 0.00 61.69 62.33 2k4i s THR 125 Cb -0.36 -1.00 -0.09 0.00 0.01 0.00 0.00 72.50 71.06 2k4i s THR 125 CO 0.38 0.00 1.07 0.00 -0.69 0.00 0.00 174.62 175.39 2k4i s ALA 126 N -0.65 3.04 1.04 7.40 0.00 -1.26 -5.05 121.76 126.27 2k4i s ALA 126 Ca -0.01 0.75 -0.03 0.00 0.00 0.00 0.00 51.96 52.67 2k4i s ALA 126 Cb -0.02 -3.30 0.04 0.00 0.00 0.00 0.00 23.12 19.85 2k4i s ALA 126 CO -0.00 -0.32 0.15 -0.35 0.00 0.00 0.00 175.76 175.24 2k4i n PRO 127 N -0.24 -1.32 -3.75 0.00 -0.04 -1.26 -5.11 135.00 123.29 2k4i n PRO 127 Ca 0.06 -0.25 -0.05 0.00 -0.04 0.00 0.00 63.50 63.23 2k4i n PRO 127 Cb 0.49 -0.23 -0.02 0.00 -0.04 0.00 0.00 33.50 33.71 2k4i n PRO 127 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2k4i s SER 128 N -1.92 -0.22 0.24 3.54 0.01 -1.26 -5.19 113.70 108.90 2k4i s SER 128 Ca 0.10 -0.40 0.01 0.00 1.31 0.00 0.00 55.95 56.96 2k4i s SER 128 Cb -0.01 0.53 0.01 0.00 0.21 0.00 0.00 66.02 66.75 2k4i s SER 128 CO 0.08 -0.96 0.04 -1.20 0.41 0.00 0.00 173.24 171.61 2k4i n SER 129 N -0.45 2.45 -3.71 2.44 7.64 -1.26 -5.17 113.62 115.57 2k4i n SER 129 Ca -0.06 -1.99 -0.10 0.00 1.01 0.00 0.00 58.87 57.73 2k4i n SER 129 Cb 0.61 0.12 -0.04 0.00 -1.01 0.00 0.00 64.21 63.89 2k4i n SER 129 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2k4i s GLU 130 N -2.88 1.34 0.48 1.43 -1.05 -1.26 -5.19 118.70 111.57 2k4i s GLU 130 Ca 0.03 -0.82 0.04 0.00 -0.15 0.00 0.00 54.97 54.08 2k4i s GLU 130 Cb -0.00 0.52 0.04 0.00 -0.44 0.00 0.00 34.13 34.25 2k4i s GLU 130 CO 0.02 -0.57 0.36 1.63 0.95 0.00 0.00 175.26 177.66 2k4i n LYS 131 N -0.33 0.79 -2.17 -4.83 5.02 -1.26 -5.16 118.16 110.22 2k4i n LYS 131 Ca -0.11 -2.96 -0.01 0.00 -2.02 0.00 0.00 58.31 53.20 2k4i n LYS 131 Cb 0.63 0.31 -0.01 0.00 -0.02 0.00 0.00 35.03 35.94 2k4i n LYS 131 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k4i n GLY 132 N -0.74 3.95 0.00 0.72 0.00 -1.26 -5.11 105.19 102.76 2k4i n GLY 132 Ca -0.01 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.31 2k4i n GLY 132 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4i n GLY 133 N 0.08 -2.20 6.95 -0.02 0.00 -1.26 -5.17 105.19 103.56 2k4i n GLY 133 Ca 0.01 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.84 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 0.00 -5.33 -0.48 1.61 5.15 -1.26 -5.00 115.26 109.95 2k4i n ASN 134 Ca 0.00 0.01 0.06 0.00 -0.60 0.00 0.00 54.58 54.05 2k4i n ASN 134 Cb 0.00 -0.04 0.05 0.00 -0.53 0.00 0.00 39.78 39.26 2k4i n ASN 134 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44