#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4i h ALA 3 N 0.00 -1.23 -2.49 4.61 0.00 -2.08 -3.40 119.26 114.68 2k4i h ALA 3 Ca 0.00 -0.21 -0.64 0.00 0.00 0.00 0.00 54.91 54.06 2k4i h ALA 3 Cb 0.00 0.47 -0.14 0.00 0.00 0.00 0.00 17.79 18.12 2k4i h ALA 3 CO 0.00 -1.18 -0.05 0.50 0.00 0.00 0.00 179.25 178.53 2k4i s ARG 4 N -5.29 3.75 0.10 0.00 6.06 -1.26 -4.97 118.95 117.35 2k4i s ARG 4 Ca -0.15 -0.03 -0.24 0.00 -2.50 0.00 0.00 55.73 52.81 2k4i s ARG 4 Cb 0.02 -3.76 -0.12 0.00 0.06 0.00 0.00 34.95 31.15 2k4i s ARG 4 CO 0.47 -0.56 1.70 -0.97 -2.50 0.00 0.00 175.30 173.44 2k4i h ASN 5 N 8.34 -0.25 -1.31 -2.12 -0.73 -2.04 -3.35 115.58 114.13 2k4i h ASN 5 Ca -0.28 0.03 -0.57 0.00 1.87 0.00 0.00 56.30 57.34 2k4i h ASN 5 Cb 1.13 0.09 -0.09 0.00 0.27 0.00 0.00 38.32 39.72 2k4i h ASN 5 CO 0.75 -0.14 1.38 -0.44 -0.37 0.00 0.00 177.43 178.61 2k4i s SER 6 N -5.03 6.35 0.05 1.15 0.01 -1.26 -4.80 113.70 110.17 2k4i s SER 6 Ca -0.14 -1.22 -0.16 0.00 1.31 0.00 0.00 55.95 55.75 2k4i s SER 6 Cb 0.07 -2.57 -0.27 0.00 0.21 0.00 0.00 66.02 63.46 2k4i s SER 6 CO 0.66 -1.65 1.11 0.58 0.41 0.00 0.00 173.24 174.35 2k4i h VAL 7 N 6.70 1.31 -3.61 3.43 2.07 -2.03 -3.45 116.25 120.67 2k4i h VAL 7 Ca 0.11 -2.38 -0.53 0.00 0.82 0.00 0.00 66.70 64.72 2k4i h VAL 7 Cb 1.02 2.64 0.09 0.00 -1.52 0.00 0.00 31.29 33.52 2k4i h VAL 7 CO 1.39 0.72 0.83 -0.76 0.02 0.00 0.00 177.57 179.77 2k4i s LEU 8 N -7.98 4.34 0.00 2.57 1.43 -1.26 -5.01 118.68 112.77 2k4i s LEU 8 Ca -0.10 2.98 -0.02 0.00 -1.03 0.00 0.00 54.13 55.95 2k4i s LEU 8 Cb 0.05 -3.65 0.03 0.00 0.03 0.00 0.00 46.19 42.65 2k4i s LEU 8 CO 0.91 -0.88 0.18 -1.14 0.23 0.00 0.00 176.35 175.66 2k4i n ARG 9 N 1.41 -0.14 -0.08 1.70 3.00 -1.26 -4.92 116.66 116.37 2k4i n ARG 9 Ca 0.05 -0.29 -0.09 0.00 -0.00 0.00 0.00 57.85 57.52 2k4i n ARG 9 Cb 0.38 -0.18 -0.04 0.00 0.00 0.00 0.00 32.46 32.62 2k4i n ARG 9 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 2k4i h GLY 10 N -0.23 0.00 0.99 5.14 0.00 -1.98 -3.26 103.07 103.73 2k4i h GLY 10 Ca -0.06 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.05 2k4i h GLY 10 CO 0.04 0.00 -0.91 1.70 0.00 0.00 0.00 176.54 177.37 2k4i h LYS 11 N -1.00 0.53 -0.06 4.80 3.11 -2.00 -3.07 116.57 118.88 2k4i h LYS 11 Ca -0.10 -0.64 0.01 0.00 -2.81 0.00 0.00 60.65 57.11 2k4i h LYS 11 Cb 0.70 0.20 -0.01 0.00 -1.00 0.00 0.00 32.23 32.13 2k4i h LYS 11 CO -0.06 1.25 0.01 0.87 -2.81 0.00 0.00 179.45 178.72 2k4i h LYS 12 N 0.08 0.04 -0.82 1.90 6.56 -1.98 -2.42 116.57 119.94 2k4i h LYS 12 Ca -0.13 -0.00 0.08 0.00 -1.06 0.00 0.00 60.65 59.53 2k4i h LYS 12 Cb 1.61 -0.01 -0.05 0.00 -0.57 0.00 0.00 32.23 33.21 2k4i h LYS 12 CO 0.18 0.03 0.53 0.00 -2.06 0.00 0.00 179.45 178.13 2k4i h ALA 13 N 1.04 1.65 -0.11 3.86 0.00 -1.66 0.32 119.26 124.35 2k4i h ALA 13 Ca 0.02 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.95 2k4i h ALA 13 Cb 0.02 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2k4i h ALA 13 CO -0.03 0.21 0.17 0.22 0.00 0.00 0.00 179.25 179.83 2k4i h ASP 14 N 0.85 0.00 0.16 0.00 1.82 -1.33 0.15 116.42 118.07 2k4i h ASP 14 Ca 0.36 0.00 -0.36 0.00 -0.39 0.00 0.00 57.03 56.65 2k4i h ASP 14 Cb 0.30 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.27 2k4i h ASP 14 CO -0.13 0.00 -2.09 -0.62 -1.61 0.00 0.00 179.24 174.78 2k4i n GLU 15 N -3.52 0.70 -0.05 0.28 4.71 0.03 -3.35 120.64 119.44 2k4i n GLU 15 Ca -0.00 0.22 -0.07 0.00 -0.01 0.00 0.00 57.16 57.29 2k4i n GLU 15 Cb 0.27 -1.66 0.11 0.00 -1.01 0.00 0.00 31.44 29.15 2k4i n GLU 15 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 2k4i h LEU 16 N 0.03 0.70 -0.11 -4.62 7.12 -0.52 -2.37 115.31 115.55 2k4i h LEU 16 Ca -0.45 -0.26 0.00 0.00 0.13 0.00 0.00 57.88 57.30 2k4i h LEU 16 Cb 2.02 -0.19 0.00 0.00 -0.53 0.00 0.00 40.66 41.96 2k4i h LEU 16 CO 0.04 0.94 -0.18 -0.62 -0.13 0.00 0.00 178.44 178.48 2k4i n GLU 17 N -4.10 0.31 -0.00 1.25 1.02 0.41 -3.62 120.64 115.92 2k4i n GLU 17 Ca -0.00 -0.11 -0.12 0.00 -0.02 0.00 0.00 57.16 56.91 2k4i n GLU 17 Cb 0.45 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.23 2k4i n GLU 17 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k4i h ARG 18 N 0.27 0.08 -6.75 3.49 3.08 -1.46 -3.42 114.38 109.67 2k4i h ARG 18 Ca 0.00 -0.14 -0.51 0.00 0.07 0.00 0.00 59.98 59.39 2k4i h ARG 18 Cb 0.44 0.05 0.02 0.00 0.08 0.00 0.00 29.97 30.56 2k4i h ARG 18 CO 0.00 0.74 0.52 0.42 -1.07 0.00 0.00 179.97 180.59 2k4i s ILE 19 N -2.60 3.46 -0.03 2.04 1.01 -0.93 -4.89 121.20 119.26 2k4i s ILE 19 Ca -0.09 1.36 0.00 0.00 0.00 0.00 0.00 60.65 61.93 2k4i s ILE 19 Cb 0.08 -3.87 -0.03 0.00 0.01 0.00 0.00 42.46 38.65 2k4i s ILE 19 CO 0.82 0.28 -0.00 -0.60 0.00 0.00 0.00 174.94 175.43 2k4i s ARG 20 N -0.95 2.86 0.53 2.79 3.00 -0.38 -2.62 118.95 124.18 2k4i s ARG 20 Ca 0.48 -0.53 0.25 0.00 -1.00 0.00 0.00 55.73 54.93 2k4i s ARG 20 Cb -0.33 -2.71 1.45 0.00 0.00 0.00 0.00 34.95 33.36 2k4i s ARG 20 CO 0.40 0.65 2.11 -0.07 0.00 0.00 0.00 175.30 178.40 2k4i h LEU 21 N 4.66 0.00 -9.44 -0.88 3.38 -1.79 0.29 115.31 111.54 2k4i h LEU 21 Ca -0.50 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 56.89 2k4i h LEU 21 Cb 1.18 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.82 2k4i h LEU 21 CO 0.56 0.09 -0.68 -0.13 0.09 0.00 0.00 178.44 178.37 2k4i s ARG 22 N -4.47 2.14 0.00 1.13 0.52 -1.26 -4.21 118.95 112.80 2k4i s ARG 22 Ca -0.04 -1.43 -0.24 0.00 -0.52 0.00 0.00 55.73 53.50 2k4i s ARG 22 Cb 0.14 -2.10 -0.18 0.00 0.52 0.00 0.00 34.95 33.33 2k4i s ARG 22 CO 0.60 0.38 1.29 -1.00 0.02 0.00 0.00 175.30 176.59 2k4i h PRO 23 N 2.22 0.14 -0.97 3.54 0.13 -1.96 -3.32 132.00 131.78 2k4i h PRO 23 Ca -0.44 -0.07 -0.61 0.00 -0.87 0.00 0.00 66.00 64.00 2k4i h PRO 23 Cb 1.24 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 32.00 2k4i h PRO 23 CO 0.59 0.59 -0.07 0.41 -0.23 0.00 0.00 178.00 179.29 2k4i n GLY 24 N 0.22 6.13 0.00 1.56 0.00 -1.26 -4.85 105.19 106.99 2k4i n GLY 24 Ca -0.08 -2.53 0.00 0.00 0.00 0.00 0.00 46.02 43.41 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 -0.76 4.54 0.15 -0.02 0.00 -1.25 -5.07 105.19 102.77 2k4i n GLY 25 Ca 0.51 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.17 0.00 -3.36 1.61 5.02 -1.26 -4.97 118.16 115.03 2k4i n LYS 26 Ca 0.00 -0.58 -0.46 0.00 -2.02 0.00 0.00 58.31 55.25 2k4i n LYS 26 Cb 0.00 -0.45 -0.04 0.00 -0.02 0.00 0.00 35.03 34.52 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 0.00 3.29 0.85 1.97 2.20 -1.26 -5.06 119.74 121.72 2k4i s LYS 27 Ca 0.00 -2.19 -0.14 0.00 -0.36 0.00 0.00 55.97 53.28 2k4i s LYS 27 Cb 0.00 -4.32 0.20 0.00 -1.51 0.00 0.00 37.83 32.20 2k4i s LYS 27 CO 0.00 -1.29 1.02 1.63 -0.36 0.00 0.00 175.35 176.34 2k4i n LYS 28 N 4.40 -1.54 -1.92 4.03 4.01 -1.26 -2.50 118.16 123.37 2k4i n LYS 28 Ca 0.03 -1.58 -0.32 0.00 -0.51 0.00 0.00 58.31 55.93 2k4i n LYS 28 Cb 0.44 -1.16 0.02 0.00 -0.51 0.00 0.00 35.03 33.82 2k4i n LYS 28 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 2k4i s TYR 29 N -3.12 2.99 0.12 2.13 1.51 -1.08 -4.77 117.35 115.14 2k4i s TYR 29 Ca 0.60 1.50 -0.03 0.00 -1.01 0.00 0.00 57.07 58.12 2k4i s TYR 29 Cb -0.03 -2.99 -0.03 0.00 -0.11 0.00 0.00 41.96 38.80 2k4i s TYR 29 CO 0.43 -1.18 0.10 -0.98 -1.11 0.00 0.00 175.55 172.81 2k4i s ARG 30 N -4.28 0.92 0.40 -0.62 1.70 -1.26 -4.58 118.95 111.23 2k4i s ARG 30 Ca 0.63 -1.32 0.22 0.00 -0.47 0.00 0.00 55.73 54.79 2k4i s ARG 30 Cb -0.16 0.27 1.24 0.00 -0.57 0.00 0.00 34.95 35.73 2k4i s ARG 30 CO 0.41 -0.27 1.68 -0.07 -1.08 0.00 0.00 175.30 175.96 2k4i h LEU 31 N 2.83 0.38 -0.35 -1.89 4.07 -1.99 0.28 115.31 118.64 2k4i h LEU 31 Ca -0.34 0.14 0.06 0.00 0.08 0.00 0.00 57.88 57.82 2k4i h LEU 31 Cb 1.20 0.10 -0.06 0.00 1.08 0.00 0.00 40.66 42.98 2k4i h LEU 31 CO 0.58 -0.09 -0.01 0.50 -1.08 0.00 0.00 178.44 178.33 2k4i h LYS 32 N 0.24 0.08 -0.58 1.13 3.64 -1.99 -0.73 116.57 118.37 2k4i h LYS 32 Ca 0.73 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 60.06 2k4i h LYS 32 Cb 2.00 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.78 2k4i h LYS 32 CO -0.43 0.05 0.19 0.45 -2.27 0.00 0.00 179.45 177.44 2k4i h HIS 33 N 0.09 0.92 -0.70 1.91 3.86 -0.86 -0.52 115.15 119.85 2k4i h HIS 33 Ca 0.17 -0.09 -0.01 0.00 -1.16 0.00 0.00 60.37 59.28 2k4i h HIS 33 Cb 0.23 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.40 2k4i h HIS 33 CO -0.25 0.76 0.39 0.82 0.86 0.00 0.00 177.93 180.51 2k4i h ILE 34 N 0.81 1.21 -0.20 2.45 2.04 -1.07 0.67 117.51 123.42 2k4i h ILE 34 Ca 0.19 -0.51 -0.17 0.00 1.00 0.00 0.00 64.86 65.37 2k4i h ILE 34 Cb 0.26 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 2k4i h ILE 34 CO -0.01 0.23 -0.54 0.58 0.00 0.00 0.00 178.15 178.42 2k4i h VAL 35 N 0.98 1.31 0.00 1.67 2.07 -0.86 -2.93 116.25 118.48 2k4i h VAL 35 Ca 0.25 -1.76 -0.07 0.00 0.82 0.00 0.00 66.70 65.94 2k4i h VAL 35 Cb 0.02 1.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 2k4i h VAL 35 CO -0.04 0.55 -0.33 -0.25 0.02 0.00 0.00 177.57 177.52 2k4i h TRP 36 N 0.43 0.00 -0.06 1.57 7.01 -0.76 -2.46 115.95 121.67 2k4i h TRP 36 Ca -0.01 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 60.97 2k4i h TRP 36 Cb 1.15 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 28.21 2k4i h TRP 36 CO 0.09 0.33 -0.03 0.00 -2.79 0.00 0.00 178.44 176.04 2k4i h ALA 37 N 1.67 0.09 -0.31 2.65 0.00 -0.80 -2.99 119.26 119.55 2k4i h ALA 37 Ca -0.00 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 2k4i h ALA 37 Cb 0.75 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2k4i h ALA 37 CO 0.04 -0.16 -0.15 0.00 0.00 0.00 0.00 179.25 178.99 2k4i h ALA 38 N 0.61 1.16 -0.87 0.00 0.00 -1.46 -2.78 119.26 115.91 2k4i h ALA 38 Ca 0.01 -0.30 0.06 0.00 0.00 0.00 0.00 54.91 54.68 2k4i h ALA 38 Cb 0.48 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 2k4i h ALA 38 CO 0.01 0.53 0.57 -0.91 0.00 0.00 0.00 179.25 179.45 2k4i h ASN 39 N 0.51 0.89 -0.25 0.00 4.21 -1.41 -1.57 115.58 117.95 2k4i h ASN 39 Ca 0.09 0.00 -0.13 0.00 1.21 0.00 0.00 56.30 57.47 2k4i h ASN 39 Cb 0.55 -0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 37.55 2k4i h ASN 39 CO 0.04 0.58 -0.31 0.11 -1.29 0.00 0.00 177.43 176.56 2k4i h LYS 40 N 1.01 0.76 0.37 0.81 1.79 -1.35 -2.90 116.57 117.06 2k4i h LYS 40 Ca 0.37 -0.35 -0.02 0.00 -2.18 0.00 0.00 60.65 58.47 2k4i h LYS 40 Cb 0.16 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 2k4i h LYS 40 CO -0.13 0.97 -0.18 -0.07 -1.08 0.00 0.00 179.45 178.96 2k4i h LEU 41 N 0.64 -0.42 -0.36 2.94 3.38 -1.19 0.28 115.31 120.58 2k4i h LEU 41 Ca 0.07 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.12 2k4i h LEU 41 Cb 0.84 0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.62 2k4i h LEU 41 CO 0.07 -0.29 -0.12 -0.78 0.09 0.00 0.00 178.44 177.42 2k4i h ASP 42 N -0.51 -0.41 0.69 -0.43 1.82 -1.13 0.47 116.42 116.92 2k4i h ASP 42 Ca -0.05 0.12 -0.03 0.00 -0.39 0.00 0.00 57.03 56.67 2k4i h ASP 42 Cb 0.39 0.26 0.01 0.00 0.68 0.00 0.00 39.33 40.66 2k4i h ASP 42 CO 0.08 -0.15 -0.33 -0.09 -1.61 0.00 0.00 179.24 177.14 2k4i h ARG 43 N -0.04 -0.90 -0.66 0.28 2.43 -1.38 -3.15 114.38 110.97 2k4i h ARG 43 Ca 0.18 0.06 0.14 0.00 -0.81 0.00 0.00 59.98 59.55 2k4i h ARG 43 Cb 0.31 0.20 -0.11 0.00 -0.42 0.00 0.00 29.97 29.95 2k4i h ARG 43 CO -0.39 -0.57 0.03 0.74 -1.51 0.00 0.00 179.97 178.27 2k4i h PHE 44 N -1.10 0.01 0.00 2.20 0.04 -0.23 -3.45 116.94 114.41 2k4i h PHE 44 Ca -0.09 0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.72 2k4i h PHE 44 Cb 0.74 0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.99 2k4i h PHE 44 CO -0.00 -0.17 0.00 0.41 -0.60 0.00 0.00 178.31 177.95 2k4i n GLY 45 N -1.37 0.18 3.94 -1.45 0.00 0.92 -5.08 105.19 102.33 2k4i n GLY 45 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 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 3.25 0.26 0.99 1.43 0.13 -4.92 118.68 119.81 2k4i s LEU 46 Ca 0.00 0.36 0.06 0.00 -1.03 0.00 0.00 54.13 53.51 2k4i s LEU 46 Cb 0.00 -3.17 -0.03 0.00 0.03 0.00 0.00 46.19 43.02 2k4i s LEU 46 CO 0.00 -1.12 0.35 0.00 0.23 0.00 0.00 176.35 175.81 2k4i s ALA 47 N -2.88 3.93 -0.78 4.21 0.00 -1.26 -2.55 121.76 122.42 2k4i s ALA 47 Ca 0.55 -1.31 0.25 0.00 0.00 0.00 0.00 51.96 51.45 2k4i s ALA 47 Cb -0.10 -1.64 0.58 0.00 0.00 0.00 0.00 23.12 21.95 2k4i s ALA 47 CO 0.41 0.19 1.50 -0.85 0.00 0.00 0.00 175.76 177.02 2k4i n GLU 48 N -1.41 0.19 0.01 0.00 0.28 -1.26 -3.58 120.64 114.87 2k4i n GLU 48 Ca -0.07 0.08 0.08 0.00 -0.16 0.00 0.00 57.16 57.08 2k4i n GLU 48 Cb 0.57 -1.64 0.34 0.00 1.43 0.00 0.00 31.44 32.14 2k4i n GLU 48 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2k4i n SER 49 N -1.93 0.07 -0.14 -1.84 7.64 -1.26 -1.86 113.62 114.30 2k4i n SER 49 Ca 0.05 0.52 0.14 0.00 1.01 0.00 0.00 58.87 60.58 2k4i n SER 49 Cb 0.40 -0.53 0.50 0.00 -1.01 0.00 0.00 64.21 63.57 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 -1.57 0.62 -0.04 -3.43 4.77 -1.23 -3.47 117.00 112.64 2k4i n LEU 50 Ca 0.03 -0.05 0.13 0.00 -0.03 0.00 0.00 56.01 56.10 2k4i n LEU 50 Cb 0.18 -0.19 0.48 0.00 -2.33 0.00 0.00 43.42 41.56 2k4i n LEU 50 CO 0.15 0.12 0.75 0.18 -1.33 0.00 0.00 177.39 177.25 2k4i n LEU 51 N -0.95 0.35 -0.71 2.23 4.77 -0.78 -2.80 117.00 119.12 2k4i n LEU 51 Ca 0.12 0.15 0.06 0.00 -0.03 0.00 0.00 56.01 56.31 2k4i n LEU 51 Cb 0.31 -0.30 0.21 0.00 -2.33 0.00 0.00 43.42 41.31 2k4i n LEU 51 CO 0.26 0.08 0.64 -1.84 -1.33 0.00 0.00 177.39 175.20 2k4i n GLU 52 N -1.30 2.13 -3.70 3.23 0.28 -1.23 -4.91 120.64 115.16 2k4i n GLU 52 Ca 0.09 -2.88 -0.17 0.00 -0.16 0.00 0.00 57.16 54.04 2k4i n GLU 52 Cb 0.32 -1.73 -0.16 0.00 1.43 0.00 0.00 31.44 31.30 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 -2.42 0.60 0.12 -1.84 1.04 -1.23 -5.04 113.70 104.93 2k4i s SER 53 Ca 0.40 0.21 -0.20 0.00 0.48 0.00 0.00 55.95 56.83 2k4i s SER 53 Cb 0.34 0.09 -0.08 0.00 0.10 0.00 0.00 66.02 66.46 2k4i s SER 53 CO 0.04 -0.21 1.77 0.50 0.98 0.00 0.00 173.24 176.32 2k4i h LYS 54 N 8.02 0.20 -0.75 4.02 3.64 -1.90 0.13 116.57 129.93 2k4i h LYS 54 Ca -0.23 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.13 2k4i h LYS 54 Cb 1.12 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.86 2k4i h LYS 54 CO 0.25 0.14 0.43 0.93 -2.27 0.00 0.00 179.45 178.92 2k4i h GLU 55 N 0.21 1.03 0.04 1.90 4.39 -1.96 -2.29 114.58 117.90 2k4i h GLU 55 Ca 0.06 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 2k4i h GLU 55 Cb -0.02 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.42 2k4i h GLU 55 CO -0.02 0.74 -0.02 0.78 -1.16 0.00 0.00 179.01 179.33 2k4i h GLY 56 N 1.08 -0.06 0.64 -3.84 0.00 -1.72 -3.15 103.07 96.01 2k4i h GLY 56 Ca 0.27 0.02 0.17 0.00 0.00 0.00 0.00 47.33 47.79 2k4i h GLY 56 CO -0.05 -0.02 0.50 0.00 0.00 0.00 0.00 176.54 176.97 2k4i h GLN 58 N 0.27 0.13 0.00 0.00 4.15 -1.37 -1.17 115.11 117.11 2k4i h GLN 58 Ca 0.36 -0.02 -0.10 0.00 0.77 0.00 0.00 58.65 59.67 2k4i h GLN 58 Cb 1.02 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.68 2k4i h GLN 58 CO -0.09 0.17 -0.48 0.87 -1.93 0.00 0.00 178.83 177.38 2k4i h LYS 59 N 0.13 0.00 0.02 1.69 1.79 -0.69 -2.99 116.57 116.53 2k4i h LYS 59 Ca 0.03 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.29 2k4i h LYS 59 Cb 0.14 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.78 2k4i h LYS 59 CO 0.01 0.48 -0.97 0.82 -1.08 0.00 0.00 179.45 178.70 2k4i h ILE 60 N 0.00 1.60 -0.01 1.86 2.04 -1.08 -3.06 117.51 118.86 2k4i h ILE 60 Ca -0.00 -3.04 -0.15 0.00 1.00 0.00 0.00 64.86 62.66 2k4i h ILE 60 Cb 1.20 2.70 -0.02 0.00 -0.74 0.00 0.00 36.82 39.96 2k4i h ILE 60 CO 0.06 0.88 -0.71 -0.07 0.00 0.00 0.00 178.15 178.31 2k4i h LEU 61 N 0.04 0.05 -0.44 1.44 3.38 -1.36 -2.38 115.31 116.04 2k4i h LEU 61 Ca -0.04 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2k4i h LEU 61 Cb 1.67 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.41 2k4i h LEU 61 CO 0.14 0.74 -0.10 0.00 0.09 0.00 0.00 178.44 179.30 2k4i h THR 62 N 0.02 0.19 0.04 0.22 1.03 -1.55 0.27 112.91 113.13 2k4i h THR 62 Ca -0.01 -1.09 -0.29 0.00 -0.01 0.00 0.00 66.41 65.01 2k4i h THR 62 Cb 1.25 1.93 -0.03 0.00 -1.07 0.00 0.00 68.15 70.23 2k4i h THR 62 CO 0.09 0.10 -1.59 0.58 -0.01 0.00 0.00 175.52 174.70 2k4i h VAL 63 N 0.00 1.02 0.00 0.00 2.07 -1.42 -3.36 116.25 114.57 2k4i h VAL 63 Ca -0.00 -2.80 0.00 0.00 0.82 0.00 0.00 66.70 64.72 2k4i h VAL 63 Cb 0.92 2.56 0.00 0.00 -1.52 0.00 0.00 31.29 33.26 2k4i h VAL 63 CO 0.01 0.68 -1.28 0.18 0.02 0.00 0.00 177.57 177.18 2k4i n LEU 64 N -3.22 0.53 0.01 2.57 4.77 -0.91 -4.32 117.00 116.43 2k4i n LEU 64 Ca -0.16 -0.05 -0.11 0.00 -0.03 0.00 0.00 56.01 55.66 2k4i n LEU 64 Cb 1.03 -0.05 -0.07 0.00 -2.33 0.00 0.00 43.42 41.99 2k4i n LEU 64 CO 0.46 0.04 0.51 0.44 -1.33 0.00 0.00 177.39 177.51 2k4i h ASP 65 N 0.00 -1.25 0.38 -1.43 3.32 -0.61 0.45 116.42 117.28 2k4i h ASP 65 Ca 0.00 0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2k4i h ASP 65 Cb 0.79 0.49 0.00 0.00 0.22 0.00 0.00 39.33 40.83 2k4i h ASP 65 CO 0.00 -0.36 0.00 -0.81 -1.72 0.00 0.00 179.24 176.35 2k4i n PRO 66 N -4.66 0.11 0.01 3.56 -0.04 -1.26 -2.20 135.00 130.52 2k4i n PRO 66 Ca -0.05 0.20 0.03 0.00 -0.04 0.00 0.00 63.50 63.65 2k4i n PRO 66 Cb 0.28 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.14 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 -1.39 0.64 -0.40 0.54 2.81 0.03 -4.21 117.12 115.13 2k4i n MET 67 Ca 0.05 0.06 -0.07 0.00 -1.81 0.00 0.00 57.70 55.93 2k4i n MET 67 Cb 0.14 -1.69 -0.05 0.00 -0.71 0.00 0.00 33.22 30.91 2k4i n MET 67 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2k4i n VAL 68 N -2.66 -0.62 0.01 2.03 0.31 0.14 0.87 118.33 118.41 2k4i n VAL 68 Ca -0.10 2.37 -0.07 0.00 -0.01 0.00 0.00 64.34 66.54 2k4i n VAL 68 Cb 0.77 -3.01 0.12 0.00 -0.91 0.00 0.00 33.84 30.81 2k4i n VAL 68 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2k4i h PRO 69 N 0.00 0.50 -1.43 5.55 0.13 -1.78 -3.20 132.00 131.77 2k4i h PRO 69 Ca 0.23 -0.26 -0.68 0.00 -0.87 0.00 0.00 66.00 64.41 2k4i h PRO 69 Cb 0.48 0.01 -0.32 0.00 0.13 0.00 0.00 31.00 31.29 2k4i h PRO 69 CO -0.95 0.84 0.50 0.25 -0.23 0.00 0.00 178.00 178.40 2k4i n THR 70 N -4.01 3.30 -3.82 1.56 -2.24 0.52 -4.95 114.28 104.64 2k4i n THR 70 Ca -0.02 -3.91 -0.13 0.00 -2.27 0.00 0.00 64.05 57.72 2k4i n THR 70 Cb 0.52 -1.20 -0.14 0.00 -2.10 0.00 0.00 70.33 67.41 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 -2.02 -0.04 1.13 3.38 0.00 0.25 -4.84 107.32 105.18 2k4i s GLY 71 Ca 0.56 0.32 -0.14 0.00 0.00 0.00 0.00 44.72 45.46 2k4i s GLY 71 CO -0.19 0.39 0.76 -1.14 0.00 0.00 0.00 173.10 172.92 2k4i n SER 72 N 3.34 -1.71 0.15 1.64 3.41 -1.26 -4.50 113.62 114.68 2k4i n SER 72 Ca -0.16 -0.07 0.15 0.00 -0.26 0.00 0.00 58.87 58.53 2k4i n SER 72 Cb 0.57 -1.21 0.72 0.00 -0.26 0.00 0.00 64.21 64.03 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 -2.42 0.00 0.00 4.33 5.08 -2.00 0.26 114.58 119.84 2k4i h GLU 73 Ca -0.57 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.79 2k4i h GLU 73 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 2k4i h GLU 73 CO 0.45 0.00 0.00 -0.91 -1.00 0.00 0.00 179.01 177.55 2k4i h ASN 74 N 0.00 0.00 0.00 1.42 4.21 -2.01 -2.84 115.58 116.36 2k4i h ASN 74 Ca 0.12 0.00 -0.22 0.00 1.21 0.00 0.00 56.30 57.41 2k4i h ASN 74 Cb 0.53 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.69 2k4i h ASN 74 CO -0.00 0.00 -1.26 -0.11 -1.29 0.00 0.00 177.43 174.77 2k4i n LEU 75 N -2.81 1.86 -0.22 1.61 0.00 0.86 -4.09 117.00 114.22 2k4i n LEU 75 Ca 0.02 0.44 0.13 0.00 0.00 0.00 0.00 56.01 56.60 2k4i n LEU 75 Cb 0.34 -0.95 0.43 0.00 0.00 0.00 0.00 43.42 43.24 2k4i n LEU 75 CO 0.27 0.22 1.22 0.50 0.00 0.00 0.00 177.39 179.60 2k4i h LYS 76 N -1.00 0.57 -0.30 1.96 3.64 -1.43 -1.47 116.57 118.54 2k4i h LYS 76 Ca -0.34 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.05 2k4i h LYS 76 Cb 1.25 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.90 2k4i h LYS 76 CO -0.20 0.37 0.06 0.77 -2.27 0.00 0.00 179.45 178.18 2k4i h SER 77 N 0.58 0.02 -0.02 4.20 0.02 -1.67 -1.14 113.55 115.54 2k4i h SER 77 Ca 0.41 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.41 2k4i h SER 77 Cb 0.74 0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.35 2k4i h SER 77 CO -0.16 0.04 0.01 0.25 -1.14 0.00 0.00 176.83 175.83 2k4i h LEU 78 N 0.17 0.02 -0.27 5.07 5.85 -1.43 -2.49 115.31 122.24 2k4i h LEU 78 Ca 0.14 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.81 2k4i h LEU 78 Cb 0.15 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.10 2k4i h LEU 78 CO -0.18 0.13 -0.25 0.15 -0.34 0.00 0.00 178.44 177.95 2k4i h PHE 79 N -0.08 -0.68 -0.58 1.25 3.57 -1.15 0.64 116.94 119.91 2k4i h PHE 79 Ca 0.01 0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.65 2k4i h PHE 79 Cb 0.11 0.34 -0.08 0.00 2.79 0.00 0.00 35.95 39.11 2k4i h PHE 79 CO -0.04 -0.33 0.14 -0.91 -2.23 0.00 0.00 178.31 174.95 2k4i h ASN 80 N -0.25 0.05 -0.18 0.41 2.35 -1.14 -1.89 115.58 114.93 2k4i h ASN 80 Ca 0.14 0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.99 2k4i h ASN 80 Cb 0.47 0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 2k4i h ASN 80 CO -0.41 0.04 0.11 0.74 -1.65 0.00 0.00 177.43 176.26 2k4i h THR 81 N 0.29 1.08 -0.95 2.81 2.02 -0.81 -2.43 112.91 114.92 2k4i h THR 81 Ca 0.30 -0.20 0.21 0.00 0.77 0.00 0.00 66.41 67.49 2k4i h THR 81 Cb 0.42 0.88 -0.08 0.00 -1.74 0.00 0.00 68.15 67.63 2k4i h THR 81 CO -0.36 0.08 0.62 0.58 0.37 0.00 0.00 175.52 176.80 2k4i h VAL 82 N 0.22 0.66 -0.68 3.16 2.07 -0.14 0.91 116.25 122.45 2k4i h VAL 82 Ca 0.07 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 67.38 2k4i h VAL 82 Cb 0.03 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 29.90 2k4i h VAL 82 CO -0.01 0.09 0.28 0.00 0.02 0.00 0.00 177.57 177.95 2k4i h VAL 84 N 0.96 0.46 -0.92 0.00 2.07 -0.77 -2.50 116.25 115.54 2k4i h VAL 84 Ca 0.23 -0.68 0.24 0.00 0.82 0.00 0.00 66.70 67.30 2k4i h VAL 84 Cb 0.19 0.72 -0.13 0.00 -1.52 0.00 0.00 31.29 30.55 2k4i h VAL 84 CO -0.02 0.10 0.43 0.40 0.02 0.00 0.00 177.57 178.50 2k4i h ILE 85 N -0.95 0.45 0.07 4.57 1.08 -1.23 -0.19 117.51 121.31 2k4i h ILE 85 Ca -0.05 -0.14 -0.00 0.00 -0.39 0.00 0.00 64.86 64.28 2k4i h ILE 85 Cb 0.53 0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.29 2k4i h ILE 85 CO 0.08 0.07 -0.03 -0.25 -0.69 0.00 0.00 178.15 177.33 2k4i h TRP 86 N 0.41 -0.09 -0.58 1.37 7.01 -1.38 -3.01 115.95 119.68 2k4i h TRP 86 Ca 0.59 -0.00 0.12 0.00 2.11 0.00 0.00 58.89 61.71 2k4i h TRP 86 Cb 1.16 0.03 -0.09 0.00 -2.10 0.00 0.00 29.16 28.16 2k4i h TRP 86 CO -0.11 0.12 0.03 0.00 -2.79 0.00 0.00 178.44 175.69 2k4i h ILE 88 N 0.15 0.76 0.16 0.00 2.04 -1.22 0.29 117.51 119.70 2k4i h ILE 88 Ca 0.30 -0.17 -0.30 0.00 1.00 0.00 0.00 64.86 65.69 2k4i h ILE 88 Cb 0.47 0.23 0.02 0.00 -0.74 0.00 0.00 36.82 36.80 2k4i h ILE 88 CO -0.46 0.09 -1.30 0.45 0.00 0.00 0.00 178.15 176.93 2k4i h HIS 89 N 0.49 0.84 -0.09 1.37 3.86 -0.65 -3.20 115.15 117.77 2k4i h HIS 89 Ca 0.43 -0.57 0.00 0.00 -1.16 0.00 0.00 60.37 59.07 2k4i h HIS 89 Cb 0.93 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.35 2k4i h HIS 89 CO -0.00 1.43 0.00 0.00 0.86 0.00 0.00 177.93 180.21 2k4i n ALA 90 N -2.64 2.49 -1.01 2.45 0.00 -0.22 -4.84 120.51 116.74 2k4i n ALA 90 Ca -0.13 -0.18 -0.00 0.00 0.00 0.00 0.00 53.44 53.13 2k4i n ALA 90 Cb 1.02 -1.01 -0.00 0.00 0.00 0.00 0.00 19.45 19.46 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 -0.23 -1.05 -2.28 0.00 2.13 -0.30 -4.95 120.64 113.97 2k4i n GLU 91 Ca 0.04 0.29 -0.42 0.00 0.66 0.00 0.00 57.16 57.73 2k4i n GLU 91 Cb 0.09 -4.09 -0.03 0.00 0.27 0.00 0.00 31.44 27.68 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 -1.14 4.26 -0.19 5.31 0.41 0.88 -4.97 118.70 123.27 2k4i s GLU 92 Ca 0.00 1.87 -0.11 0.00 -0.41 0.00 0.00 54.97 56.32 2k4i s GLU 92 Cb 0.00 -3.69 -0.05 0.00 -1.78 0.00 0.00 34.13 28.61 2k4i s GLU 92 CO 0.00 -0.64 0.18 0.15 -0.49 0.00 0.00 175.26 174.46 2k4i s LYS 93 N 2.96 4.19 0.04 1.61 1.02 -1.26 -4.10 119.74 124.20 2k4i s LYS 93 Ca 0.62 -0.12 -0.02 0.00 0.02 0.00 0.00 55.97 56.46 2k4i s LYS 93 Cb -0.28 -3.41 -0.03 0.00 -0.52 0.00 0.00 37.83 33.59 2k4i s LYS 93 CO 0.23 0.30 0.00 0.14 -0.92 0.00 0.00 175.35 175.10 2k4i s VAL 94 N 0.35 0.18 -0.16 3.17 -7.23 -1.26 -5.00 120.40 110.45 2k4i s VAL 94 Ca 0.11 -1.48 -0.09 0.00 -1.81 0.00 0.00 61.98 58.71 2k4i s VAL 94 Cb -0.12 -1.17 -0.23 0.00 0.56 0.00 0.00 36.38 35.43 2k4i s VAL 94 CO -0.00 -0.82 0.24 1.17 -0.31 0.00 0.00 175.10 175.38 2k4i n LYS 95 N 0.49 0.70 -3.36 4.82 0.00 -1.26 -4.55 118.16 115.00 2k4i n LYS 95 Ca -0.17 0.31 -0.15 0.00 0.00 0.00 0.00 58.31 58.30 2k4i n LYS 95 Cb 0.60 -1.69 -0.04 0.00 0.00 0.00 0.00 35.03 33.90 2k4i n LYS 95 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2k4i n ASP 96 N -3.67 1.50 0.15 3.14 5.68 -1.26 -1.24 116.55 120.85 2k4i n ASP 96 Ca -0.35 -2.21 0.06 0.00 -0.50 0.00 0.00 54.79 51.80 2k4i n ASP 96 Cb 0.97 0.48 0.05 0.00 -1.14 0.00 0.00 41.12 41.48 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 1.32 0.44 0.00 2.12 2.02 -0.59 -3.20 112.91 115.02 2k4i h THR 97 Ca -0.19 -1.65 -0.09 0.00 0.77 0.00 0.00 66.41 65.25 2k4i h THR 97 Cb 0.68 2.12 -0.01 0.00 -1.74 0.00 0.00 68.15 69.20 2k4i h THR 97 CO 0.30 0.25 -0.42 -0.33 0.37 0.00 0.00 175.52 175.69 2k4i h GLU 98 N 0.00 0.00 0.07 6.66 3.07 -1.83 -2.02 114.58 120.53 2k4i h GLU 98 Ca -0.02 0.00 -0.28 0.00 -0.50 0.00 0.00 59.36 58.56 2k4i h GLU 98 Cb 1.24 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.13 2k4i h GLU 98 CO 0.03 0.42 -1.43 0.78 -1.40 0.00 0.00 179.01 177.42 2k4i h GLY 99 N 1.92 0.17 1.43 -3.84 0.00 -1.96 -3.25 103.07 97.54 2k4i h GLY 99 Ca -0.00 -0.44 -0.22 0.00 0.00 0.00 0.00 47.33 46.66 2k4i h GLY 99 CO 0.06 0.39 -0.86 0.00 0.00 0.00 0.00 176.54 176.12 2k4i h ALA 100 N 0.70 0.38 -0.23 3.60 0.00 -1.54 -2.87 119.26 119.31 2k4i h ALA 100 Ca -0.19 -0.66 -0.05 0.00 0.00 0.00 0.00 54.91 54.01 2k4i h ALA 100 Cb 1.96 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.71 2k4i h ALA 100 CO 0.14 0.75 -0.07 -0.22 0.00 0.00 0.00 179.25 179.85 2k4i h LYS 101 N 0.33 0.35 0.23 0.00 3.64 -1.50 -2.40 116.57 117.23 2k4i h LYS 101 Ca -0.07 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 2k4i h LYS 101 Cb 1.48 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.26 2k4i h LYS 101 CO 0.16 0.44 -0.11 1.96 -2.27 0.00 0.00 179.45 179.63 2k4i h GLN 102 N 0.34 -0.29 -0.96 1.90 4.20 -1.58 -2.12 115.11 116.60 2k4i h GLN 102 Ca 0.07 0.02 0.23 0.00 0.06 0.00 0.00 58.65 59.03 2k4i h GLN 102 Cb 0.34 0.07 -0.08 0.00 0.30 0.00 0.00 27.48 28.12 2k4i h GLN 102 CO 0.02 0.07 0.63 0.82 -0.67 0.00 0.00 178.83 179.70 2k4i h ILE 103 N -0.90 0.63 0.06 2.54 2.04 -1.46 -0.89 117.51 119.53 2k4i h ILE 103 Ca -0.03 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 2k4i h ILE 103 Cb 0.50 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 2k4i h ILE 103 CO 0.05 0.07 -0.03 0.58 0.00 0.00 0.00 178.15 178.83 2k4i h VAL 104 N 0.41 1.27 -0.49 1.67 2.07 -1.45 -2.46 116.25 117.27 2k4i h VAL 104 Ca 0.51 -1.26 0.09 0.00 0.82 0.00 0.00 66.70 66.87 2k4i h VAL 104 Cb 1.29 2.08 -0.08 0.00 -1.52 0.00 0.00 31.29 33.07 2k4i h VAL 104 CO -0.21 0.31 0.04 -0.09 0.02 0.00 0.00 177.57 177.63 2k4i h ARG 105 N -0.65 0.15 -0.86 1.57 9.65 -0.56 -0.84 114.38 122.85 2k4i h ARG 105 Ca -0.01 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.85 2k4i h ARG 105 Cb 0.56 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 29.07 2k4i h ARG 105 CO 0.01 0.10 0.47 -0.09 2.80 0.00 0.00 179.97 183.27 2k4i h ARG 106 N 0.16 1.19 -0.58 0.20 2.43 -1.27 -2.35 114.38 114.16 2k4i h ARG 106 Ca 0.25 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2k4i h ARG 106 Cb 0.36 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 2k4i h ARG 106 CO -0.38 0.87 0.37 0.45 -1.51 0.00 0.00 179.97 179.77 2k4i h HIS 107 N 1.20 0.74 -0.21 2.20 3.86 -0.68 0.45 115.15 122.72 2k4i h HIS 107 Ca 0.30 0.01 -0.19 0.00 -1.16 0.00 0.00 60.37 59.33 2k4i h HIS 107 Cb 0.02 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.25 2k4i h HIS 107 CO 0.01 0.48 -0.63 -0.07 0.86 0.00 0.00 177.93 178.58 2k4i h LEU 108 N 0.79 0.83 -0.29 2.43 3.38 -0.87 -3.13 115.31 118.45 2k4i h LEU 108 Ca 0.21 -0.48 -0.10 0.00 0.09 0.00 0.00 57.88 57.61 2k4i h LEU 108 Cb -0.07 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 2k4i h LEU 108 CO -0.04 1.25 -0.19 0.58 0.09 0.00 0.00 178.44 180.13 2k4i h VAL 109 N 0.54 1.30 -0.90 1.22 2.07 -1.11 -2.53 116.25 116.83 2k4i h VAL 109 Ca -0.01 -1.31 0.15 0.00 0.82 0.00 0.00 66.70 66.35 2k4i h VAL 109 Cb 1.22 1.51 -0.07 0.00 -1.52 0.00 0.00 31.29 32.43 2k4i h VAL 109 CO 0.13 0.42 0.58 0.00 0.02 0.00 0.00 177.57 178.72 2k4i h ALA 110 N 0.74 1.85 0.00 1.67 0.00 -0.95 0.79 119.26 123.35 2k4i h ALA 110 Ca 0.06 0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.81 2k4i h ALA 110 Cb 0.73 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2k4i h ALA 110 CO 0.05 -0.11 -0.83 0.93 0.00 0.00 0.00 179.25 179.30 2k4i h GLU 111 N 0.68 0.03 -0.89 0.00 5.08 -1.47 -3.15 114.58 114.86 2k4i h GLU 111 Ca 0.46 -0.03 -0.29 0.00 -1.00 0.00 0.00 59.36 58.49 2k4i h GLU 111 Cb 0.77 0.01 -0.17 0.00 0.50 0.00 0.00 28.75 29.86 2k4i h GLU 111 CO -0.22 0.84 0.37 2.41 -1.00 0.00 0.00 179.01 181.41 2k4i n THR 112 N -3.58 2.67 -2.04 1.13 -1.04 0.15 -4.06 114.28 107.51 2k4i n THR 112 Ca -0.01 -1.46 -0.00 0.00 -2.04 0.00 0.00 64.05 60.54 2k4i n THR 112 Cb 0.79 -0.48 -0.00 0.00 -1.82 0.00 0.00 70.33 68.81 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 -0.42 0.72 2.19 3.41 0.00 -0.49 -4.89 105.19 105.70 2k4i n GLY 113 Ca 0.41 -0.06 0.02 0.00 0.00 0.00 0.00 46.02 46.39 2k4i n GLY 113 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2k4i n THR 114 N 0.04 0.65 0.23 2.61 5.66 -1.23 -4.88 114.28 117.36 2k4i n THR 114 Ca -0.01 -1.98 0.14 0.00 -3.05 0.00 0.00 64.05 59.14 2k4i n THR 114 Cb 0.66 1.16 0.77 0.00 -1.55 0.00 0.00 70.33 71.37 2k4i n THR 114 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k4i h ALA 115 N 1.82 1.87 -0.82 1.79 0.00 -1.90 0.56 119.26 122.59 2k4i h ALA 115 Ca -0.19 -0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.35 2k4i h ALA 115 Cb 1.57 0.01 -0.22 0.00 0.00 0.00 0.00 17.79 19.15 2k4i h ALA 115 CO 0.14 -0.14 0.47 -0.85 0.00 0.00 0.00 179.25 178.87 2k4i n GLU 116 N -4.15 2.63 -0.89 0.00 0.28 -1.26 -4.18 120.64 113.07 2k4i n GLU 116 Ca -0.01 -2.73 -0.02 0.00 -0.16 0.00 0.00 57.16 54.24 2k4i n GLU 116 Cb 0.20 -2.09 -0.01 0.00 1.43 0.00 0.00 31.44 30.97 2k4i n GLU 116 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2k4i n LYS 117 N -0.65 0.08 -1.63 3.44 0.00 -0.01 -5.15 118.16 114.24 2k4i n LYS 117 Ca 0.48 -0.35 -0.41 0.00 0.00 0.00 0.00 58.31 58.03 2k4i n LYS 117 Cb 1.46 0.44 0.01 0.00 0.00 0.00 0.00 35.03 36.94 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 -0.10 1.42 -0.64 1.64 2.81 -0.04 -4.98 117.12 117.23 2k4i n MET 118 Ca -0.09 0.51 -0.18 0.00 -1.81 0.00 0.00 57.70 56.13 2k4i n MET 118 Cb 0.44 -2.10 0.15 0.00 -0.71 0.00 0.00 33.22 31.00 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 0.07 -2.31 -2.82 0.03 -0.04 -1.26 -5.07 135.00 123.60 2k4i n PRO 119 Ca 0.09 -1.06 -0.20 0.00 -0.04 0.00 0.00 63.50 62.28 2k4i n PRO 119 Cb 0.40 -1.00 0.06 0.00 -0.04 0.00 0.00 33.50 32.92 2k4i n PRO 119 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2k4i s SER 120 N -3.30 5.05 0.01 3.54 0.01 -1.26 -5.06 113.70 112.69 2k4i s SER 120 Ca 0.43 -0.44 -0.30 0.00 1.31 0.00 0.00 55.95 56.95 2k4i s SER 120 Cb -0.04 -0.24 -0.04 0.00 0.21 0.00 0.00 66.02 65.90 2k4i s SER 120 CO 0.33 -1.32 1.12 0.42 0.41 0.00 0.00 173.24 174.19 2k4i s THR 121 N -2.75 4.39 -0.10 1.44 -4.23 -1.26 -5.03 115.64 108.09 2k4i s THR 121 Ca 0.61 1.71 0.02 0.00 -1.18 0.00 0.00 61.69 62.85 2k4i s THR 121 Cb -0.08 -4.10 0.01 0.00 1.34 0.00 0.00 72.50 69.68 2k4i s THR 121 CO 0.39 0.11 -0.16 -0.94 -0.54 0.00 0.00 174.62 173.48 2k4i s SER 122 N 1.11 2.47 0.53 3.99 1.04 -1.26 -5.13 113.70 116.44 2k4i s SER 122 Ca 0.55 -0.44 -0.17 0.00 0.48 0.00 0.00 55.95 56.38 2k4i s SER 122 Cb -0.25 -1.11 -0.07 0.00 0.10 0.00 0.00 66.02 64.69 2k4i s SER 122 CO 0.27 0.03 1.01 -0.13 0.98 0.00 0.00 173.24 175.40 2k4i s ARG 123 N 0.89 3.79 0.50 4.02 0.52 -1.26 -5.03 118.95 122.37 2k4i s ARG 123 Ca -0.09 1.07 -0.21 0.00 -0.52 0.00 0.00 55.73 55.98 2k4i s ARG 123 Cb -0.15 -2.11 -0.07 0.00 0.52 0.00 0.00 34.95 33.14 2k4i s ARG 123 CO -0.00 -0.41 1.15 -1.25 0.02 0.00 0.00 175.30 174.81 2k4i s PRO 124 N -3.92 3.59 0.19 3.54 0.04 -1.26 -4.97 135.00 132.21 2k4i s PRO 124 Ca 0.61 1.70 -0.31 0.00 0.04 0.00 0.00 61.00 63.04 2k4i s PRO 124 Cb -0.12 -2.23 -0.10 0.00 0.04 0.00 0.00 34.50 32.09 2k4i s PRO 124 CO 0.30 -0.68 1.51 0.95 0.04 0.00 0.00 177.00 179.12 2k4i s THR 125 N -1.65 2.69 0.52 1.26 -4.23 -1.26 -4.95 115.64 108.02 2k4i s THR 125 Ca 0.68 0.52 -0.22 0.00 -1.18 0.00 0.00 61.69 61.48 2k4i s THR 125 Cb -0.26 -3.33 -0.06 0.00 1.34 0.00 0.00 72.50 70.18 2k4i s THR 125 CO 0.31 0.06 1.34 0.00 -0.54 0.00 0.00 174.62 175.78 2k4i n ALA 126 N 3.36 1.53 0.25 3.99 0.00 -1.26 -4.90 120.51 123.47 2k4i n ALA 126 Ca 0.11 0.15 0.13 0.00 0.00 0.00 0.00 53.44 53.83 2k4i n ALA 126 Cb 0.39 -2.34 0.59 0.00 0.00 0.00 0.00 19.45 18.10 2k4i n ALA 126 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2k4i h PRO 127 N 1.56 0.00 -0.78 0.00 0.13 -2.06 -3.05 132.00 127.80 2k4i h PRO 127 Ca -0.50 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 64.82 2k4i h PRO 127 Cb 1.30 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.39 2k4i h PRO 127 CO 0.57 0.14 0.53 0.77 -0.23 0.00 0.00 178.00 179.79 2k4i h SER 128 N 0.00 0.22 -0.83 1.44 0.02 -2.03 -3.36 113.55 109.00 2k4i h SER 128 Ca -0.00 0.02 -0.23 0.00 -0.84 0.00 0.00 61.79 60.73 2k4i h SER 128 Cb 0.59 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 2k4i h SER 128 CO 0.02 0.10 0.65 -0.44 -1.14 0.00 0.00 176.83 176.01 2k4i s SER 129 N -5.85 4.64 -0.08 3.07 0.01 -1.15 -4.92 113.70 109.42 2k4i s SER 129 Ca -0.07 -0.12 0.05 0.00 1.31 0.00 0.00 55.95 57.12 2k4i s SER 129 Cb 0.21 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.89 2k4i s SER 129 CO 0.76 -3.12 -0.23 -0.70 0.41 0.00 0.00 173.24 170.36 2k4i s GLU 130 N 7.81 2.82 0.44 12.44 -6.30 -1.26 -5.05 118.70 129.60 2k4i s GLU 130 Ca 0.80 -0.86 0.00 0.00 -2.50 0.00 0.00 54.97 52.41 2k4i s GLU 130 Cb -0.11 -2.27 0.00 0.00 0.00 0.00 0.00 34.13 31.75 2k4i s GLU 130 CO 0.08 0.30 0.00 1.63 0.02 0.00 0.00 175.26 177.29 2k4i n LYS 131 N 3.19 -2.88 0.00 4.30 4.76 -1.26 -5.08 118.16 121.19 2k4i n LYS 131 Ca -0.18 2.14 0.00 0.00 -2.87 0.00 0.00 58.31 57.40 2k4i n LYS 131 Cb 0.52 -3.44 0.00 0.00 -1.84 0.00 0.00 35.03 30.27 2k4i n LYS 131 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k4i n GLY 132 N -4.17 -0.73 3.72 0.72 0.00 -1.26 -5.14 105.19 98.34 2k4i n GLY 132 Ca -0.03 -1.13 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.46 0.73 3.77 -0.02 0.00 -1.26 -4.95 105.19 102.99 2k4i n GLY 133 Ca 0.00 0.28 -0.39 0.00 0.00 0.00 0.00 46.02 45.91 2k4i n GLY 133 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2k4i s ASN 134 N -0.33 7.22 0.00 1.61 2.47 -1.26 -5.29 114.94 119.37 2k4i s ASN 134 Ca 0.56 2.08 0.21 0.00 0.42 0.00 0.00 52.86 56.14 2k4i s ASN 134 Cb -0.53 -2.61 0.17 0.00 -1.45 0.00 0.00 41.25 36.83 2k4i s ASN 134 CO 0.61 -0.16 1.18 0.00 -3.72 0.00 0.00 177.10 175.01