#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 1.28 -1.71 4.61 0.00 -1.26 -4.99 120.51 118.44 2k4i n ALA 3 Ca 0.00 -1.08 -0.32 0.00 0.00 0.00 0.00 53.44 52.05 2k4i n ALA 3 Cb 0.00 0.11 0.02 0.00 0.00 0.00 0.00 19.45 19.58 2k4i n ALA 3 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k4i s ARG 4 N -2.50 3.35 -0.07 0.00 0.52 -1.26 -5.01 118.95 113.99 2k4i s ARG 4 Ca -0.37 0.95 -0.24 0.00 -0.52 0.00 0.00 55.73 55.54 2k4i s ARG 4 Cb 0.14 -2.05 -0.20 0.00 0.52 0.00 0.00 34.95 33.36 2k4i s ARG 4 CO 0.49 -0.77 0.94 -0.91 0.02 0.00 0.00 175.30 175.08 2k4i h ASN 5 N -0.12 -0.06 -3.58 0.23 4.21 -2.05 -3.45 115.58 110.76 2k4i h ASN 5 Ca -0.45 -0.57 -0.68 0.00 1.21 0.00 0.00 56.30 55.81 2k4i h ASN 5 Cb 1.20 0.02 -0.18 0.00 -1.12 0.00 0.00 38.32 38.23 2k4i h ASN 5 CO 0.59 0.59 -0.68 -0.44 -1.29 0.00 0.00 177.43 176.21 2k4i s SER 6 N -5.76 4.76 -0.13 5.81 0.01 -1.26 -5.01 113.70 112.12 2k4i s SER 6 Ca -0.15 0.00 -0.06 0.00 1.31 0.00 0.00 55.95 57.05 2k4i s SER 6 Cb -0.00 -1.27 -0.06 0.00 0.21 0.00 0.00 66.02 64.90 2k4i s SER 6 CO 0.59 0.35 -0.17 0.52 0.41 0.00 0.00 173.24 174.94 2k4i n VAL 7 N 2.29 0.73 -1.65 3.43 0.31 -1.26 -5.03 118.33 117.16 2k4i n VAL 7 Ca -0.18 -0.20 -0.38 0.00 -0.01 0.00 0.00 64.34 63.57 2k4i n VAL 7 Cb 0.53 -1.59 0.05 0.00 -0.91 0.00 0.00 33.84 31.91 2k4i n VAL 7 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2k4i n LEU 8 N -3.51 4.11 0.00 7.52 4.77 -1.26 -5.00 117.00 123.62 2k4i n LEU 8 Ca -0.26 0.85 -0.03 0.00 -0.03 0.00 0.00 56.01 56.54 2k4i n LEU 8 Cb 0.69 -1.43 0.02 0.00 -2.33 0.00 0.00 43.42 40.38 2k4i n LEU 8 CO 0.03 -1.55 0.08 -1.14 -1.33 0.00 0.00 177.39 173.48 2k4i n ARG 9 N -1.00 -0.60 -0.11 3.23 3.00 -1.26 -4.93 116.66 114.99 2k4i n ARG 9 Ca 0.13 -0.19 -0.20 0.00 -0.00 0.00 0.00 57.85 57.58 2k4i n ARG 9 Cb 0.46 -0.15 -0.07 0.00 0.00 0.00 0.00 32.46 32.70 2k4i n ARG 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2k4i n GLY 10 N 3.11 -0.58 0.09 5.14 0.00 -1.26 -3.81 105.19 107.88 2k4i n GLY 10 Ca 0.02 -0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.00 0.14 -0.09 1.61 3.64 -2.01 -3.31 116.57 115.55 2k4i h LYS 11 Ca -0.39 -0.24 -0.07 0.00 -1.27 0.00 0.00 60.65 58.68 2k4i h LYS 11 Cb 1.29 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.21 2k4i h LYS 11 CO -0.23 0.98 -0.23 0.87 -2.27 0.00 0.00 179.45 178.57 2k4i h LYS 12 N 0.04 0.31 -0.97 1.90 6.56 -1.99 -3.19 116.57 119.23 2k4i h LYS 12 Ca -0.19 -0.22 0.19 0.00 -1.06 0.00 0.00 60.65 59.38 2k4i h LYS 12 Cb 1.95 0.03 -0.09 0.00 -0.57 0.00 0.00 32.23 33.55 2k4i h LYS 12 CO 0.14 0.82 0.61 0.00 -2.06 0.00 0.00 179.45 178.97 2k4i h ALA 13 N 0.49 1.88 -0.23 3.86 0.00 -1.71 -1.30 119.26 122.25 2k4i h ALA 13 Ca -0.00 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.02 2k4i h ALA 13 Cb 0.83 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 2k4i h ALA 13 CO 0.05 -0.22 -0.19 0.22 0.00 0.00 0.00 179.25 179.12 2k4i h ASP 14 N 0.64 -0.60 -0.62 0.00 1.82 -1.63 0.11 116.42 116.14 2k4i h ASP 14 Ca 0.54 0.12 -0.02 0.00 -0.39 0.00 0.00 57.03 57.27 2k4i h ASP 14 Cb 1.00 0.30 -0.03 0.00 0.68 0.00 0.00 39.33 41.28 2k4i h ASP 14 CO -0.30 -0.23 0.30 -0.08 -1.61 0.00 0.00 179.24 177.32 2k4i h GLU 15 N -0.19 0.89 -0.64 0.28 4.22 -1.35 -1.75 114.58 116.03 2k4i h GLU 15 Ca 0.13 -0.13 0.03 0.00 0.08 0.00 0.00 59.36 59.47 2k4i h GLU 15 Cb 0.39 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 2k4i h GLU 15 CO -0.34 0.71 0.39 1.25 -2.18 0.00 0.00 179.01 178.85 2k4i h LEU 16 N 0.85 0.64 0.00 1.64 7.12 -0.81 0.23 115.31 124.97 2k4i h LEU 16 Ca 0.21 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.23 2k4i h LEU 16 Cb 0.12 -0.13 0.00 0.00 -0.53 0.00 0.00 40.66 40.12 2k4i h LEU 16 CO -0.03 0.44 0.00 -0.62 -0.13 0.00 0.00 178.44 178.10 2k4i n GLU 17 N -4.72 0.29 -0.00 1.25 1.02 0.29 -3.05 120.64 115.73 2k4i n GLU 17 Ca 0.06 0.06 -0.15 0.00 -0.02 0.00 0.00 57.16 57.11 2k4i n GLU 17 Cb 0.09 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 29.87 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 0.15 -6.60 3.49 9.65 -0.07 -3.41 114.38 117.59 2k4i h ARG 18 Ca 0.00 -0.26 -0.59 0.00 -1.10 0.00 0.00 59.98 58.03 2k4i h ARG 18 Cb 0.26 0.10 0.11 0.00 -1.39 0.00 0.00 29.97 29.05 2k4i h ARG 18 CO 0.00 0.90 0.27 -0.89 2.80 0.00 0.00 179.97 183.05 2k4i n ILE 19 N -3.29 2.06 -3.65 1.20 5.41 -0.72 -4.90 119.36 115.47 2k4i n ILE 19 Ca -0.24 -0.50 -0.34 0.00 1.00 0.00 0.00 62.75 62.67 2k4i n ILE 19 Cb 1.05 -1.23 -0.05 0.00 -0.71 0.00 0.00 39.64 38.70 2k4i n ILE 19 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2k4i s ARG 20 N -1.74 3.67 0.13 0.38 1.81 0.21 -2.71 118.95 120.71 2k4i s ARG 20 Ca 0.58 0.03 0.04 0.00 -1.72 0.00 0.00 55.73 54.66 2k4i s ARG 20 Cb -0.63 -2.96 -0.15 0.00 -0.45 0.00 0.00 34.95 30.75 2k4i s ARG 20 CO 0.60 0.55 1.29 -0.07 -0.68 0.00 0.00 175.30 176.99 2k4i h LEU 21 N 3.47 0.13 -8.72 2.53 3.38 -0.73 0.25 115.31 115.63 2k4i h LEU 21 Ca -0.48 -0.13 -0.33 0.00 0.09 0.00 0.00 57.88 57.03 2k4i h LEU 21 Cb 1.18 -0.04 -0.15 0.00 0.09 0.00 0.00 40.66 41.75 2k4i h LEU 21 CO 0.68 1.05 -0.68 -0.13 0.09 0.00 0.00 178.44 179.45 2k4i s ARG 22 N -2.84 1.15 0.29 1.13 0.52 -1.26 -4.03 118.95 113.91 2k4i s ARG 22 Ca -0.01 -1.54 0.07 0.00 -0.52 0.00 0.00 55.73 53.74 2k4i s ARG 22 Cb 0.10 -0.53 0.42 0.00 0.52 0.00 0.00 34.95 35.46 2k4i s ARG 22 CO 0.83 -0.03 1.67 -1.00 0.02 0.00 0.00 175.30 176.79 2k4i h PRO 23 N 2.67 0.20 0.00 3.54 0.13 -1.97 -3.35 132.00 133.22 2k4i h PRO 23 Ca -0.37 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2k4i h PRO 23 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2k4i h PRO 23 CO 0.64 0.63 -0.20 0.41 -0.23 0.00 0.00 178.00 179.25 2k4i n GLY 24 N -0.07 -1.32 0.00 1.56 0.00 -1.26 -5.07 105.19 99.04 2k4i n GLY 24 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.04 -0.27 2.53 -0.02 0.00 -1.26 -5.05 105.19 101.09 2k4i n GLY 25 Ca 0.00 -1.63 -0.11 0.00 0.00 0.00 0.00 46.02 44.28 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 0.00 1.09 -3.72 1.61 5.02 -1.26 -4.93 118.16 115.98 2k4i n LYS 26 Ca 0.00 -3.16 -0.15 0.00 -2.02 0.00 0.00 58.31 52.98 2k4i n LYS 26 Cb 0.00 -1.30 -0.15 0.00 -0.02 0.00 0.00 35.03 33.56 2k4i n LYS 26 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2k4i s LYS 27 N -2.61 0.04 0.09 1.97 1.02 -1.26 -5.09 119.74 113.90 2k4i s LYS 27 Ca 0.30 0.41 0.07 0.00 0.02 0.00 0.00 55.97 56.77 2k4i s LYS 27 Cb 0.42 -0.25 -0.04 0.00 -0.52 0.00 0.00 37.83 37.44 2k4i s LYS 27 CO -0.01 -0.23 -0.10 0.15 -0.92 0.00 0.00 175.35 174.25 2k4i s LYS 28 N 1.62 2.16 0.29 1.68 1.02 -1.26 0.02 119.74 125.28 2k4i s LYS 28 Ca -0.04 -1.00 -0.30 0.00 0.02 0.00 0.00 55.97 54.65 2k4i s LYS 28 Cb -0.12 -2.32 -0.12 0.00 -0.52 0.00 0.00 37.83 34.76 2k4i s LYS 28 CO -0.05 0.52 1.60 0.66 -0.92 0.00 0.00 175.35 177.16 2k4i n TYR 29 N 0.82 2.88 -3.99 3.18 4.01 -1.10 -4.89 117.16 118.06 2k4i n TYR 29 Ca -0.14 0.25 -0.10 0.00 -0.16 0.00 0.00 57.90 57.75 2k4i n TYR 29 Cb 0.52 -2.60 -0.06 0.00 -0.31 0.00 0.00 39.34 36.89 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 -0.51 1.35 0.40 -0.72 3.52 -1.26 -4.20 118.95 117.54 2k4i s ARG 30 Ca 0.64 -1.25 0.24 0.00 -0.13 0.00 0.00 55.73 55.23 2k4i s ARG 30 Cb -0.49 0.41 1.29 0.00 -1.56 0.00 0.00 34.95 34.60 2k4i s ARG 30 CO 0.48 -0.53 1.65 -0.07 -0.81 0.00 0.00 175.30 176.03 2k4i h LEU 31 N 2.40 0.35 -0.69 -0.88 3.38 -1.99 0.47 115.31 118.34 2k4i h LEU 31 Ca -0.30 0.15 0.13 0.00 0.09 0.00 0.00 57.88 57.95 2k4i h LEU 31 Cb 1.24 0.12 -0.09 0.00 0.09 0.00 0.00 40.66 42.02 2k4i h LEU 31 CO 0.42 -0.15 0.22 0.11 0.09 0.00 0.00 178.44 179.13 2k4i h LYS 32 N 0.18 0.35 -0.24 1.13 1.57 -1.98 0.73 116.57 118.32 2k4i h LYS 32 Ca 0.77 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 59.41 2k4i h LYS 32 Cb 2.16 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 34.39 2k4i h LYS 32 CO -0.47 0.23 -0.30 0.45 -0.57 0.00 0.00 179.45 178.78 2k4i h HIS 33 N 0.36 0.76 -0.69 -1.35 3.86 -0.46 -2.02 115.15 115.60 2k4i h HIS 33 Ca 0.37 -0.24 0.01 0.00 -1.16 0.00 0.00 60.37 59.34 2k4i h HIS 33 Cb 0.56 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.84 2k4i h HIS 33 CO -0.21 0.98 0.45 0.82 0.86 0.00 0.00 177.93 180.83 2k4i h ILE 34 N 0.32 1.17 -0.46 2.45 2.04 -1.07 -1.67 117.51 120.30 2k4i h ILE 34 Ca 0.03 -0.32 -0.05 0.00 1.00 0.00 0.00 64.86 65.52 2k4i h ILE 34 Cb 0.88 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 2k4i h ILE 34 CO 0.07 0.17 0.08 0.58 0.00 0.00 0.00 178.15 179.05 2k4i h VAL 35 N 0.93 1.24 0.00 1.67 2.07 -0.89 -0.90 116.25 120.37 2k4i h VAL 35 Ca 0.25 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 2k4i h VAL 35 Cb -0.11 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 2k4i h VAL 35 CO -0.06 0.31 -0.06 -0.25 0.02 0.00 0.00 177.57 177.54 2k4i h TRP 36 N 0.62 0.00 0.04 1.57 7.01 -1.02 -2.00 115.95 122.17 2k4i h TRP 36 Ca 0.14 0.00 -0.15 0.00 2.11 0.00 0.00 58.89 60.99 2k4i h TRP 36 Cb 0.37 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.42 2k4i h TRP 36 CO 0.03 0.06 -0.79 0.00 -2.79 0.00 0.00 178.44 174.95 2k4i h ALA 37 N 1.94 0.11 -0.84 2.65 0.00 -0.80 -3.35 119.26 118.97 2k4i h ALA 37 Ca -0.00 -0.87 0.05 0.00 0.00 0.00 0.00 54.91 54.09 2k4i h ALA 37 Cb 0.25 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 2k4i h ALA 37 CO 0.01 0.44 0.52 0.00 0.00 0.00 0.00 179.25 180.22 2k4i h ALA 38 N -0.15 1.13 -0.90 0.00 0.00 -0.99 -1.40 119.26 116.96 2k4i h ALA 38 Ca -0.19 -0.02 0.21 0.00 0.00 0.00 0.00 54.91 54.91 2k4i h ALA 38 Cb 1.34 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 2k4i h ALA 38 CO -0.03 0.29 0.60 -0.91 0.00 0.00 0.00 179.25 179.20 2k4i h ASN 39 N 0.98 0.38 0.01 0.00 4.21 -1.52 -0.54 115.58 119.09 2k4i h ASN 39 Ca 0.36 0.04 -0.00 0.00 1.21 0.00 0.00 56.30 57.91 2k4i h ASN 39 Cb 0.12 -0.03 0.00 0.00 -1.12 0.00 0.00 38.32 37.29 2k4i h ASN 39 CO -0.15 0.15 -0.00 0.11 -1.29 0.00 0.00 177.43 176.24 2k4i h LYS 40 N 0.37 -0.01 -0.61 0.81 1.79 -1.39 -3.12 116.57 114.41 2k4i h LYS 40 Ca 0.47 0.00 0.09 0.00 -2.18 0.00 0.00 60.65 59.03 2k4i h LYS 40 Cb 1.21 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.79 2k4i h LYS 40 CO -0.17 0.64 0.23 -0.07 -1.08 0.00 0.00 179.45 179.01 2k4i h LEU 41 N -0.66 0.23 -0.10 2.94 3.38 -0.98 0.62 115.31 120.74 2k4i h LEU 41 Ca -0.00 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.09 2k4i h LEU 41 Cb 0.65 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.40 2k4i h LEU 41 CO 0.00 0.14 -0.27 -0.78 0.09 0.00 0.00 178.44 177.62 2k4i h ASP 42 N 0.41 -0.84 0.68 -0.43 3.58 -1.10 0.35 116.42 119.08 2k4i h ASP 42 Ca 0.31 0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.88 2k4i h ASP 42 Cb 0.38 0.36 0.00 0.00 1.72 0.00 0.00 39.33 41.79 2k4i h ASP 42 CO -0.31 -0.33 0.00 -1.14 -2.88 0.00 0.00 179.24 174.59 2k4i n ARG 43 N -5.39 0.15 -0.74 0.28 0.63 -0.88 -2.14 116.66 108.57 2k4i n ARG 43 Ca -0.03 0.38 0.02 0.00 -0.92 0.00 0.00 57.85 57.31 2k4i n ARG 43 Cb 0.30 -1.79 0.30 0.00 0.45 0.00 0.00 32.46 31.72 2k4i n ARG 43 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2k4i n PHE 44 N -2.08 1.74 -1.31 -0.14 3.72 0.32 -4.87 117.46 114.84 2k4i n PHE 44 Ca 0.02 -0.69 -0.11 0.00 -0.05 0.00 0.00 57.45 56.63 2k4i n PHE 44 Cb 0.22 -0.47 -0.05 0.00 -0.94 0.00 0.00 39.48 38.24 2k4i n PHE 44 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2k4i n GLY 45 N 0.33 1.06 3.76 1.37 0.00 -0.91 -4.97 105.19 105.84 2k4i n GLY 45 Ca 0.25 -0.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.41 3.66 0.50 0.99 1.43 0.98 -5.01 118.68 118.81 2k4i s LEU 46 Ca 0.00 -0.21 -0.05 0.00 -1.03 0.00 0.00 54.13 52.83 2k4i s LEU 46 Cb 0.00 -2.28 -0.03 0.00 0.03 0.00 0.00 46.19 43.92 2k4i s LEU 46 CO 0.00 0.07 0.80 0.00 0.23 0.00 0.00 176.35 177.45 2k4i s ALA 47 N -1.76 3.40 -0.14 4.21 0.00 -1.26 -3.18 121.76 123.03 2k4i s ALA 47 Ca 0.30 -0.57 0.18 0.00 0.00 0.00 0.00 51.96 51.87 2k4i s ALA 47 Cb -0.10 -2.57 -0.13 0.00 0.00 0.00 0.00 23.12 20.32 2k4i s ALA 47 CO 0.22 -0.44 0.79 -0.85 0.00 0.00 0.00 175.76 175.48 2k4i n GLU 48 N -2.32 0.62 0.12 0.00 0.28 -1.26 -3.89 120.64 114.19 2k4i n GLU 48 Ca 0.01 0.16 0.10 0.00 -0.16 0.00 0.00 57.16 57.27 2k4i n GLU 48 Cb 0.56 -1.77 0.46 0.00 1.43 0.00 0.00 31.44 32.12 2k4i n GLU 48 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 2k4i n SER 49 N -2.79 0.49 0.01 -1.84 3.41 -1.26 -1.38 113.62 110.27 2k4i n SER 49 Ca -0.09 0.67 0.12 0.00 -0.26 0.00 0.00 58.87 59.31 2k4i n SER 49 Cb 0.78 -0.76 0.50 0.00 -0.26 0.00 0.00 64.21 64.47 2k4i n SER 49 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2k4i n LEU 50 N -2.10 0.08 -0.04 1.04 4.77 -1.25 -2.62 117.00 116.89 2k4i n LEU 50 Ca 0.01 0.51 0.14 0.00 -0.03 0.00 0.00 56.01 56.64 2k4i n LEU 50 Cb 0.13 -0.49 0.55 0.00 -2.33 0.00 0.00 43.42 41.28 2k4i n LEU 50 CO 0.13 -0.12 0.83 0.18 -1.33 0.00 0.00 177.39 177.08 2k4i n LEU 51 N -1.58 0.25 -0.88 2.23 4.77 -0.48 -2.81 117.00 118.50 2k4i n LEU 51 Ca 0.06 0.22 0.01 0.00 -0.03 0.00 0.00 56.01 56.26 2k4i n LEU 51 Cb 0.29 -0.33 0.20 0.00 -2.33 0.00 0.00 43.42 41.26 2k4i n LEU 51 CO 0.23 0.05 0.53 -1.84 -1.33 0.00 0.00 177.39 175.03 2k4i n GLU 52 N -1.31 1.72 -3.74 3.23 0.28 -1.08 -4.97 120.64 114.78 2k4i n GLU 52 Ca 0.10 -3.23 -0.12 0.00 -0.16 0.00 0.00 57.16 53.74 2k4i n GLU 52 Cb 0.31 -1.72 -0.12 0.00 1.43 0.00 0.00 31.44 31.34 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 -2.87 -0.35 0.03 -1.84 1.04 -1.23 -5.07 113.70 103.41 2k4i s SER 53 Ca 0.41 0.65 -0.29 0.00 0.48 0.00 0.00 55.95 57.20 2k4i s SER 53 Cb 0.39 0.58 -0.17 0.00 0.10 0.00 0.00 66.02 66.92 2k4i s SER 53 CO -0.03 -0.15 1.28 0.50 0.98 0.00 0.00 173.24 175.82 2k4i h LYS 54 N 6.57 -0.89 -0.93 4.02 3.64 -1.90 0.17 116.57 127.25 2k4i h LYS 54 Ca -0.34 0.06 0.15 0.00 -1.27 0.00 0.00 60.65 59.25 2k4i h LYS 54 Cb 1.18 0.20 -0.09 0.00 -0.41 0.00 0.00 32.23 33.10 2k4i h LYS 54 CO 0.33 -0.56 0.54 0.93 -2.27 0.00 0.00 179.45 178.42 2k4i h GLU 55 N -1.13 0.75 -0.12 1.90 4.39 -1.97 -1.18 114.58 117.21 2k4i h GLU 55 Ca -0.09 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.51 2k4i h GLU 55 Cb 0.74 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.22 2k4i h GLU 55 CO 0.15 0.49 -0.11 0.78 -1.16 0.00 0.00 179.01 179.17 2k4i h GLY 56 N 0.77 0.31 0.74 -3.84 0.00 -1.81 -3.08 103.07 96.16 2k4i h GLY 56 Ca 0.51 -0.31 0.11 0.00 0.00 0.00 0.00 47.33 47.63 2k4i h GLY 56 CO -0.34 0.28 0.54 0.00 0.00 0.00 0.00 176.54 177.03 2k4i h GLN 58 N 0.76 1.20 0.00 0.00 4.15 -1.19 -1.12 115.11 118.90 2k4i h GLN 58 Ca 0.39 -0.18 0.00 0.00 0.77 0.00 0.00 58.65 59.64 2k4i h GLN 58 Cb 0.49 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 27.97 2k4i h GLN 58 CO -0.16 0.92 0.00 1.17 -1.93 0.00 0.00 178.83 178.83 2k4i n LYS 59 N -4.30 0.21 -0.06 1.69 3.00 -0.39 -3.09 118.16 115.21 2k4i n LYS 59 Ca 0.08 0.41 -0.20 0.00 -0.00 0.00 0.00 58.31 58.60 2k4i n LYS 59 Cb 0.14 -1.88 -0.13 0.00 0.00 0.00 0.00 35.03 33.17 2k4i n LYS 59 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 2k4i h ILE 60 N 0.00 1.08 -0.41 3.15 2.04 -0.85 -3.33 117.51 119.19 2k4i h ILE 60 Ca 0.00 -2.28 0.12 0.00 1.00 0.00 0.00 64.86 63.69 2k4i h ILE 60 Cb 0.40 2.59 -0.02 0.00 -0.74 0.00 0.00 36.82 39.05 2k4i h ILE 60 CO 0.00 0.52 0.31 -0.07 0.00 0.00 0.00 178.15 178.90 2k4i h LEU 61 N -0.72 0.00 -0.97 1.44 3.38 -1.28 0.15 115.31 117.30 2k4i h LEU 61 Ca -0.28 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.59 2k4i h LEU 61 Cb 1.44 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.17 2k4i h LEU 61 CO -0.08 0.00 -0.49 0.00 0.09 0.00 0.00 178.44 177.96 2k4i h THR 62 N 0.00 1.28 0.21 0.22 1.03 -1.67 0.26 112.91 114.24 2k4i h THR 62 Ca 0.19 -1.72 -0.31 0.00 -0.01 0.00 0.00 66.41 64.56 2k4i h THR 62 Cb 0.81 1.95 0.04 0.00 -1.07 0.00 0.00 68.15 69.87 2k4i h THR 62 CO -0.00 0.48 -1.34 0.58 -0.01 0.00 0.00 175.52 175.23 2k4i h VAL 63 N 0.00 1.31 -0.05 0.00 2.07 -0.84 -3.27 116.25 115.48 2k4i h VAL 63 Ca -0.00 -2.62 0.00 0.00 0.82 0.00 0.00 66.70 64.90 2k4i h VAL 63 Cb 0.91 2.99 0.00 0.00 -1.52 0.00 0.00 31.29 33.67 2k4i h VAL 63 CO 0.06 0.78 0.00 0.18 0.02 0.00 0.00 177.57 178.62 2k4i n LEU 64 N -3.80 1.62 0.42 2.57 4.77 -0.77 -4.28 117.00 117.52 2k4i n LEU 64 Ca -0.16 -0.57 -0.17 0.00 -0.03 0.00 0.00 56.01 55.09 2k4i n LEU 64 Cb 1.04 -0.02 -0.08 0.00 -2.33 0.00 0.00 43.42 42.03 2k4i n LEU 64 CO 0.59 0.28 0.44 -0.78 -1.33 0.00 0.00 177.39 176.59 2k4i h ASP 65 N 2.46 -0.91 0.35 -1.43 3.58 -0.52 -2.95 116.42 117.00 2k4i h ASP 65 Ca 0.00 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2k4i h ASP 65 Cb 0.53 0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.81 2k4i h ASP 65 CO 0.00 -0.56 0.00 -0.81 -2.88 0.00 0.00 179.24 174.99 2k4i n PRO 66 N -5.41 0.14 0.13 0.28 -0.04 -1.26 -2.25 135.00 126.60 2k4i n PRO 66 Ca -0.13 0.19 0.13 0.00 -0.04 0.00 0.00 63.50 63.64 2k4i n PRO 66 Cb 0.42 -1.50 0.36 0.00 -0.04 0.00 0.00 33.50 32.74 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 0.76 0.54 2.86 -1.71 -3.32 114.93 114.06 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 0.17 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.84 2k4i h MET 67 CO 0.00 0.00 -0.36 0.28 1.06 0.00 0.00 176.91 177.89 2k4i h VAL 68 N 0.00 0.17 0.00 -2.22 2.07 -1.47 0.19 116.25 115.00 2k4i h VAL 68 Ca 0.00 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.38 2k4i h VAL 68 Cb 0.78 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 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 -5.49 0.48 -2.10 1.57 -0.04 -1.25 -2.58 135.00 125.59 2k4i n PRO 69 Ca -0.14 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.33 2k4i n PRO 69 Cb 0.41 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.42 2k4i n PRO 69 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2k4i n THR 70 N -1.01 0.95 -4.10 0.52 -2.24 -1.01 -5.10 114.28 102.30 2k4i n THR 70 Ca 0.12 -2.31 -0.14 0.00 -2.27 0.00 0.00 64.05 59.45 2k4i n THR 70 Cb 0.06 0.88 -0.05 0.00 -2.10 0.00 0.00 70.33 69.12 2k4i n THR 70 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2k4i s GLY 71 N -3.05 1.37 0.05 3.38 0.00 0.02 -4.91 107.32 104.18 2k4i s GLY 71 Ca 0.32 -1.46 0.00 0.00 0.00 0.00 0.00 44.72 43.59 2k4i s GLY 71 CO -0.09 -1.00 0.04 -1.14 0.00 0.00 0.00 173.10 170.91 2k4i n SER 72 N -1.13 1.27 -0.14 1.64 3.41 -1.26 -4.86 113.62 112.55 2k4i n SER 72 Ca 0.01 -1.19 0.06 0.00 -0.26 0.00 0.00 58.87 57.49 2k4i n SER 72 Cb 0.62 0.00 0.37 0.00 -0.26 0.00 0.00 64.21 64.94 2k4i n SER 72 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2k4i h GLU 73 N 0.00 0.69 -0.10 4.33 5.08 -1.98 0.24 114.58 122.84 2k4i h GLU 73 Ca -0.03 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.21 2k4i h GLU 73 Cb 0.12 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2k4i h GLU 73 CO 0.05 0.46 -0.28 -0.91 -1.00 0.00 0.00 179.01 177.33 2k4i h ASN 74 N 0.71 0.18 0.00 1.42 2.35 -2.00 -2.05 115.58 116.18 2k4i h ASN 74 Ca 0.28 -0.05 -0.05 0.00 -0.55 0.00 0.00 56.30 55.93 2k4i h ASN 74 Cb 0.20 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 2k4i h ASN 74 CO -0.09 0.47 -0.34 0.25 -1.65 0.00 0.00 177.43 176.07 2k4i h LEU 75 N 0.16 0.00 -1.56 1.61 6.46 -1.50 -3.35 115.31 117.13 2k4i h LEU 75 Ca 0.02 -0.45 0.24 0.00 -0.12 0.00 0.00 57.88 57.58 2k4i h LEU 75 Cb 0.59 0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 40.45 2k4i h LEU 75 CO 0.04 0.92 0.65 0.50 -0.62 0.00 0.00 178.44 179.93 2k4i h LYS 76 N -1.00 0.31 -0.87 1.25 3.64 -0.65 0.22 116.57 119.47 2k4i h LYS 76 Ca -0.07 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.36 2k4i h LYS 76 Cb 0.69 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.38 2k4i h LYS 76 CO -0.04 0.20 0.57 0.77 -2.27 0.00 0.00 179.45 178.68 2k4i h SER 77 N 0.32 0.84 0.85 4.20 0.02 -1.50 0.16 113.55 118.44 2k4i h SER 77 Ca 0.52 0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 61.37 2k4i h SER 77 Cb 1.45 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.81 2k4i h SER 77 CO -0.18 0.53 -0.49 0.25 -1.14 0.00 0.00 176.83 175.80 2k4i h LEU 78 N 0.95 0.00 0.11 5.07 5.85 -0.70 -2.46 115.31 124.12 2k4i h LEU 78 Ca 0.38 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.88 2k4i h LEU 78 Cb 0.25 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.30 2k4i h LEU 78 CO -0.14 0.49 -0.93 0.15 -0.34 0.00 0.00 178.44 177.67 2k4i h PHE 79 N 0.00 0.74 -0.05 1.25 3.57 -0.84 -2.89 116.94 118.71 2k4i h PHE 79 Ca -0.00 -0.48 -0.07 0.00 3.53 0.00 0.00 57.97 60.94 2k4i h PHE 79 Cb 1.05 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.73 2k4i h PHE 79 CO 0.00 1.34 -0.31 -2.95 -2.23 0.00 0.00 178.31 174.15 2k4i h ASN 80 N -0.07 0.10 -0.08 0.41 -1.07 -0.78 -2.94 115.58 111.15 2k4i h ASN 80 Ca -0.15 -0.03 -0.05 0.00 0.07 0.00 0.00 56.30 56.14 2k4i h ASN 80 Cb 1.67 -0.03 -0.00 0.00 -2.07 0.00 0.00 38.32 37.90 2k4i h ASN 80 CO 0.18 0.41 -0.14 0.74 0.07 0.00 0.00 177.43 178.69 2k4i h THR 81 N 0.09 1.40 0.00 6.14 2.02 -1.50 -2.98 112.91 118.08 2k4i h THR 81 Ca 0.01 -1.40 0.00 0.00 0.77 0.00 0.00 66.41 65.79 2k4i h THR 81 Cb 0.60 2.12 0.00 0.00 -1.74 0.00 0.00 68.15 69.14 2k4i h THR 81 CO 0.04 0.39 0.00 0.58 0.37 0.00 0.00 175.52 176.91 2k4i h VAL 82 N -0.22 0.00 0.01 3.16 2.07 -1.41 -1.86 116.25 118.00 2k4i h VAL 82 Ca 0.01 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.39 2k4i h VAL 82 Cb 0.70 0.92 0.01 0.00 -1.52 0.00 0.00 31.29 31.40 2k4i h VAL 82 CO 0.03 0.00 -0.54 0.00 0.02 0.00 0.00 177.57 177.09 2k4i h VAL 84 N -0.21 1.25 -0.13 0.00 2.07 -1.29 -2.56 116.25 115.38 2k4i h VAL 84 Ca -0.07 -1.05 0.01 0.00 0.82 0.00 0.00 66.70 66.41 2k4i h VAL 84 Cb 1.27 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 2k4i h VAL 84 CO 0.11 0.38 0.09 0.40 0.02 0.00 0.00 177.57 178.56 2k4i h ILE 85 N 0.83 1.02 -0.22 4.57 1.08 -1.53 -1.66 117.51 121.59 2k4i h ILE 85 Ca 0.16 -0.05 -0.16 0.00 -0.39 0.00 0.00 64.86 64.42 2k4i h ILE 85 Cb 0.48 0.85 -0.01 0.00 -3.07 0.00 0.00 36.82 35.08 2k4i h ILE 85 CO 0.02 0.03 -0.51 -0.25 -0.69 0.00 0.00 178.15 176.75 2k4i h TRP 86 N 0.15 0.75 0.00 1.37 7.01 -1.44 -2.75 115.95 121.04 2k4i h TRP 86 Ca 0.05 -0.26 0.00 0.00 2.11 0.00 0.00 58.89 60.80 2k4i h TRP 86 Cb 0.02 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 26.93 2k4i h TRP 86 CO -0.00 0.99 0.00 0.00 -2.79 0.00 0.00 178.44 176.64 2k4i h ILE 88 N 0.00 1.29 0.00 0.00 2.04 -1.34 -0.99 117.51 118.50 2k4i h ILE 88 Ca 0.00 -2.84 0.00 0.00 1.00 0.00 0.00 64.86 63.02 2k4i h ILE 88 Cb 0.26 2.90 0.00 0.00 -0.74 0.00 0.00 36.82 39.24 2k4i h ILE 88 CO 0.00 0.85 -0.75 0.45 0.00 0.00 0.00 178.15 178.70 2k4i h HIS 89 N 0.09 0.00 -0.37 1.37 3.86 -1.43 -3.30 115.15 115.37 2k4i h HIS 89 Ca -0.22 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.99 2k4i h HIS 89 Cb 2.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.52 2k4i h HIS 89 CO 0.08 0.00 0.00 0.00 0.86 0.00 0.00 177.93 178.87 2k4i n ALA 90 N -2.12 2.55 -1.35 2.45 0.00 -0.40 -4.88 120.51 116.76 2k4i n ALA 90 Ca 0.01 -0.72 -0.12 0.00 0.00 0.00 0.00 53.44 52.61 2k4i n ALA 90 Cb 0.53 -0.98 -0.05 0.00 0.00 0.00 0.00 19.45 18.95 2k4i n ALA 90 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2k4i n GLU 91 N 0.58 -1.39 -2.95 0.00 4.71 -1.24 -4.95 120.64 115.39 2k4i n GLU 91 Ca 0.13 0.91 -0.40 0.00 -0.01 0.00 0.00 57.16 57.79 2k4i n GLU 91 Cb 0.39 -5.17 -0.06 0.00 -1.01 0.00 0.00 31.44 25.59 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 -2.94 4.57 -0.21 3.49 0.41 -0.38 -5.04 118.70 118.60 2k4i s GLU 92 Ca 0.00 1.17 -0.07 0.00 -0.41 0.00 0.00 54.97 55.66 2k4i s GLU 92 Cb 0.00 -3.31 -0.03 0.00 -1.78 0.00 0.00 34.13 29.01 2k4i s GLU 92 CO 0.00 0.45 0.05 0.15 -0.49 0.00 0.00 175.26 175.41 2k4i s LYS 93 N -0.70 3.77 -0.05 1.61 3.01 -1.26 -4.41 119.74 121.71 2k4i s LYS 93 Ca 0.38 -0.44 0.02 0.00 -1.01 0.00 0.00 55.97 54.92 2k4i s LYS 93 Cb -0.22 -3.21 0.01 0.00 -1.01 0.00 0.00 37.83 33.40 2k4i s LYS 93 CO 0.26 0.05 -0.09 0.14 0.51 0.00 0.00 175.35 176.22 2k4i s VAL 94 N 0.95 0.83 0.05 3.17 -7.23 -1.26 -5.03 120.40 111.88 2k4i s VAL 94 Ca 0.03 -0.33 -0.17 0.00 -1.81 0.00 0.00 61.98 59.71 2k4i s VAL 94 Cb -0.14 -0.78 -0.19 0.00 0.56 0.00 0.00 36.38 35.82 2k4i s VAL 94 CO 0.03 0.28 1.21 0.11 -0.31 0.00 0.00 175.10 176.41 2k4i h LYS 95 N 6.86 0.57 0.00 4.82 1.57 -1.96 -3.43 116.57 125.01 2k4i h LYS 95 Ca -0.34 -0.51 -0.24 0.00 -1.87 0.00 0.00 60.65 57.69 2k4i h LYS 95 Cb 1.17 0.12 -0.05 0.00 0.08 0.00 0.00 32.23 33.55 2k4i h LYS 95 CO 0.48 1.14 -0.20 -0.40 -0.57 0.00 0.00 179.45 179.89 2k4i n ASP 96 N -4.13 0.81 0.13 0.86 5.68 -1.26 -0.62 116.55 118.04 2k4i n ASP 96 Ca -0.09 -1.96 -0.24 0.00 -0.50 0.00 0.00 54.79 52.00 2k4i n ASP 96 Cb 0.68 0.51 -0.16 0.00 -1.14 0.00 0.00 41.12 41.01 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 1.33 1.24 -0.87 2.12 2.02 -0.63 -3.20 112.91 114.93 2k4i h THR 97 Ca -0.13 -2.67 0.22 0.00 0.77 0.00 0.00 66.41 64.60 2k4i h THR 97 Cb 0.53 3.02 -0.05 0.00 -1.74 0.00 0.00 68.15 69.91 2k4i h THR 97 CO 0.21 0.81 0.60 -0.08 0.37 0.00 0.00 175.52 177.43 2k4i h GLU 98 N 0.12 0.21 0.17 6.66 4.57 -1.85 0.20 114.58 124.66 2k4i h GLU 98 Ca -0.27 -0.01 -0.30 0.00 -1.18 0.00 0.00 59.36 57.60 2k4i h GLU 98 Cb 2.14 -0.05 0.02 0.00 -0.16 0.00 0.00 28.75 30.70 2k4i h GLU 98 CO 0.26 0.14 -1.32 0.78 -1.18 0.00 0.00 179.01 177.69 2k4i h GLY 99 N 0.22 0.46 0.95 1.92 0.00 -1.97 -3.27 103.07 101.39 2k4i h GLY 99 Ca 0.44 -1.14 -0.04 0.00 0.00 0.00 0.00 47.33 46.59 2k4i h GLY 99 CO -0.10 1.00 0.13 0.00 0.00 0.00 0.00 176.54 177.57 2k4i h ALA 100 N 0.41 0.59 -0.01 3.60 0.00 -1.00 -2.22 119.26 120.62 2k4i h ALA 100 Ca -0.18 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2k4i h ALA 100 Cb 2.03 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.65 2k4i h ALA 100 CO 0.23 0.25 0.01 0.87 0.00 0.00 0.00 179.25 180.61 2k4i h LYS 101 N 0.59 0.00 0.17 0.00 1.57 -1.32 -0.60 116.57 116.98 2k4i h LYS 101 Ca 0.14 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.67 2k4i h LYS 101 Cb 0.28 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.62 2k4i h LYS 101 CO -0.00 0.00 -1.09 0.37 -0.57 0.00 0.00 179.45 178.16 2k4i h GLN 102 N 0.00 0.43 -0.13 3.15 5.75 -1.47 -2.42 115.11 120.42 2k4i h GLN 102 Ca 0.01 -0.70 -0.02 0.00 -0.15 0.00 0.00 58.65 57.78 2k4i h GLN 102 Cb 0.03 0.25 -0.00 0.00 1.07 0.00 0.00 27.48 28.83 2k4i h GLN 102 CO -0.00 1.32 -0.01 0.82 -2.65 0.00 0.00 178.83 178.32 2k4i h ILE 103 N -0.09 1.26 0.27 2.39 2.04 -0.80 -1.41 117.51 121.16 2k4i h ILE 103 Ca -0.19 -0.86 -0.01 0.00 1.00 0.00 0.00 64.86 64.80 2k4i h ILE 103 Cb 1.84 1.57 0.00 0.00 -0.74 0.00 0.00 36.82 39.50 2k4i h ILE 103 CO 0.21 0.25 -0.13 0.58 0.00 0.00 0.00 178.15 179.06 2k4i h VAL 104 N -0.04 0.77 -0.16 1.67 2.07 -1.27 -1.66 116.25 117.63 2k4i h VAL 104 Ca 0.04 -0.34 0.05 0.00 0.82 0.00 0.00 66.70 67.26 2k4i h VAL 104 Cb 0.39 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 2k4i h VAL 104 CO 0.01 0.07 -0.19 -0.09 0.02 0.00 0.00 177.57 177.40 2k4i h ARG 105 N -0.54 -0.21 -0.33 1.57 2.43 -1.48 -1.54 114.38 114.27 2k4i h ARG 105 Ca -0.04 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.21 2k4i h ARG 105 Cb 0.40 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.94 2k4i h ARG 105 CO 0.06 -0.14 -0.03 0.00 -1.51 0.00 0.00 179.97 178.35 2k4i h ARG 106 N -0.22 0.06 -0.34 0.20 3.08 -1.24 0.26 114.38 116.17 2k4i h ARG 106 Ca 0.11 -0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.22 2k4i h ARG 106 Cb 0.38 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 2k4i h ARG 106 CO -0.29 0.04 0.24 0.45 -1.07 0.00 0.00 179.97 179.34 2k4i h HIS 107 N 0.06 0.15 0.12 3.04 3.86 -0.74 0.10 115.15 121.75 2k4i h HIS 107 Ca 0.16 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 59.06 2k4i h HIS 107 Cb 0.22 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 2k4i h HIS 107 CO -0.26 0.08 -1.57 -0.07 0.86 0.00 0.00 177.93 176.98 2k4i h LEU 108 N 0.15 0.41 -1.10 2.43 3.38 -0.16 -3.31 115.31 117.12 2k4i h LEU 108 Ca 0.16 -0.58 -0.09 0.00 0.09 0.00 0.00 57.88 57.45 2k4i h LEU 108 Cb 0.43 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2k4i h LEU 108 CO -0.02 1.49 -0.45 0.58 0.09 0.00 0.00 178.44 180.13 2k4i h VAL 109 N 0.07 1.29 -0.24 1.22 2.07 0.13 -2.86 116.25 117.93 2k4i h VAL 109 Ca -0.26 -1.54 -0.09 0.00 0.82 0.00 0.00 66.70 65.63 2k4i h VAL 109 Cb 2.03 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 33.62 2k4i h VAL 109 CO 0.16 0.44 -0.26 0.00 0.02 0.00 0.00 177.57 177.93 2k4i h ALA 110 N 1.55 1.11 -0.06 1.67 0.00 -0.93 0.09 119.26 122.69 2k4i h ALA 110 Ca -0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 2k4i h ALA 110 Cb 0.80 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2k4i h ALA 110 CO 0.06 0.55 -0.39 0.93 0.00 0.00 0.00 179.25 180.40 2k4i h GLU 111 N 0.41 0.13 0.00 0.00 4.39 -1.59 -2.91 114.58 115.01 2k4i h GLU 111 Ca 0.06 -0.06 -0.17 0.00 0.34 0.00 0.00 59.36 59.53 2k4i h GLU 111 Cb 0.67 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.29 2k4i h GLU 111 CO 0.05 0.51 -1.18 1.15 -1.16 0.00 0.00 179.01 178.38 2k4i h THR 112 N 0.12 0.71 -0.47 1.13 2.02 -1.45 -3.34 112.91 111.63 2k4i h THR 112 Ca 0.01 -2.22 -0.05 0.00 0.77 0.00 0.00 66.41 64.91 2k4i h THR 112 Cb 0.75 2.23 -0.02 0.00 -1.74 0.00 0.00 68.15 69.37 2k4i h THR 112 CO 0.06 0.41 0.07 1.23 0.37 0.00 0.00 175.52 177.65 2k4i h GLY 113 N 3.59 0.78 0.52 2.16 0.00 -0.79 -2.49 103.07 106.83 2k4i h GLY 113 Ca -0.12 -0.46 0.21 0.00 0.00 0.00 0.00 47.33 46.96 2k4i h GLY 113 CO 0.06 0.43 0.54 0.00 0.00 0.00 0.00 176.54 177.57 2k4i h THR 114 N 0.70 0.60 -0.73 4.70 1.03 -1.66 0.47 112.91 118.02 2k4i h THR 114 Ca 0.15 0.00 -0.52 0.00 -0.01 0.00 0.00 66.41 66.03 2k4i h THR 114 Cb 0.33 0.62 -0.37 0.00 -1.07 0.00 0.00 68.15 67.66 2k4i h THR 114 CO 0.01 0.00 -0.50 0.00 -0.01 0.00 0.00 175.52 175.01 2k4i n ALA 115 N -2.66 5.12 0.14 0.00 0.00 -0.94 -4.10 120.51 118.07 2k4i n ALA 115 Ca 0.15 -3.69 0.00 0.00 0.00 0.00 0.00 53.44 49.90 2k4i n ALA 115 Cb 0.81 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.69 2k4i n ALA 115 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2k4i n GLU 116 N -0.79 0.00 -1.51 0.00 2.13 0.08 -4.94 120.64 115.62 2k4i n GLU 116 Ca 0.45 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 58.16 2k4i n GLU 116 Cb 0.91 0.00 0.09 0.00 0.27 0.00 0.00 31.44 32.71 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 -3.37 2.72 -1.20 5.31 4.81 -0.75 -5.09 118.16 120.58 2k4i n LYS 117 Ca 0.00 -3.78 0.04 0.00 -0.87 0.00 0.00 58.31 53.69 2k4i n LYS 117 Cb 0.00 -1.96 -0.02 0.00 0.02 0.00 0.00 35.03 33.07 2k4i n LYS 117 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 2k4i n MET 118 N -0.83 -3.07 -2.04 1.64 2.81 -1.22 -4.64 117.12 109.76 2k4i n MET 118 Ca 0.33 2.42 -0.39 0.00 -1.81 0.00 0.00 57.70 58.25 2k4i n MET 118 Cb 0.86 -3.12 -0.03 0.00 -0.71 0.00 0.00 33.22 30.23 2k4i n MET 118 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 2k4i s PRO 119 N -4.84 2.63 0.40 0.03 0.04 -1.26 -4.56 135.00 127.45 2k4i s PRO 119 Ca 0.00 0.61 0.04 0.00 0.04 0.00 0.00 61.00 61.69 2k4i s PRO 119 Cb 0.00 -4.39 -0.04 0.00 0.04 0.00 0.00 34.50 30.11 2k4i s PRO 119 CO 0.00 -2.73 0.06 -1.12 0.04 0.00 0.00 177.00 173.25 2k4i s SER 120 N 8.07 3.12 0.31 6.66 0.01 -1.26 -5.09 113.70 125.51 2k4i s SER 120 Ca 0.67 -1.52 0.06 0.00 1.31 0.00 0.00 55.95 56.47 2k4i s SER 120 Cb -0.13 0.16 -0.01 0.00 0.21 0.00 0.00 66.02 66.25 2k4i s SER 120 CO 0.21 -0.73 0.45 0.28 0.41 0.00 0.00 173.24 173.86 2k4i s THR 121 N -3.09 4.34 0.51 1.44 -1.32 -1.26 -5.06 115.64 111.20 2k4i s THR 121 Ca 0.26 -0.99 -0.06 0.00 -1.21 0.00 0.00 61.69 59.69 2k4i s THR 121 Cb 0.06 -3.51 0.11 0.00 -1.51 0.00 0.00 72.50 67.65 2k4i s THR 121 CO 0.13 -0.20 0.69 -1.54 -2.21 0.00 0.00 174.62 171.50 2k4i n SER 122 N -1.59 0.32 -4.60 8.08 3.41 -1.26 -5.01 113.62 112.97 2k4i n SER 122 Ca -0.02 -1.42 -0.38 0.00 -0.26 0.00 0.00 58.87 56.79 2k4i n SER 122 Cb 0.58 -0.51 0.04 0.00 -0.26 0.00 0.00 64.21 64.07 2k4i n SER 122 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2k4i n ARG 123 N -2.41 0.94 -2.22 4.33 1.74 -1.26 -4.91 116.66 112.87 2k4i n ARG 123 Ca 0.10 0.36 -0.42 0.00 -0.77 0.00 0.00 57.85 57.12 2k4i n ARG 123 Cb 0.33 -2.09 -0.03 0.00 -1.02 0.00 0.00 32.46 29.65 2k4i n ARG 123 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2k4i s PRO 124 N -2.55 4.37 0.09 5.56 0.04 -1.26 -5.04 135.00 136.22 2k4i s PRO 124 Ca 0.73 2.04 0.06 0.00 0.04 0.00 0.00 61.00 63.87 2k4i s PRO 124 Cb -0.44 -3.22 -0.03 0.00 0.04 0.00 0.00 34.50 30.85 2k4i s PRO 124 CO 0.50 -0.30 -0.15 0.99 0.04 0.00 0.00 177.00 178.07 2k4i s THR 125 N 0.45 1.29 0.24 1.26 2.01 -1.26 -5.16 115.64 114.46 2k4i s THR 125 Ca 0.59 -1.48 0.11 0.00 0.31 0.00 0.00 61.69 61.22 2k4i s THR 125 Cb -0.36 -1.31 -0.05 0.00 0.01 0.00 0.00 72.50 70.79 2k4i s THR 125 CO 0.35 -0.26 -0.20 0.00 -0.69 0.00 0.00 174.62 173.82 2k4i s ALA 126 N -1.54 2.53 -0.49 7.40 0.00 -1.26 -5.08 121.76 123.32 2k4i s ALA 126 Ca 0.03 -1.75 -0.27 0.00 0.00 0.00 0.00 51.96 49.97 2k4i s ALA 126 Cb -0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.77 2k4i s ALA 126 CO 0.03 0.29 1.78 -1.25 0.00 0.00 0.00 175.76 176.61 2k4i s PRO 127 N -3.22 3.00 -0.12 0.00 0.04 -1.26 -4.97 135.00 128.46 2k4i s PRO 127 Ca 0.25 0.94 0.02 0.00 0.04 0.00 0.00 61.00 62.25 2k4i s PRO 127 Cb -0.05 -4.28 0.01 0.00 0.04 0.00 0.00 34.50 30.22 2k4i s PRO 127 CO 0.12 -2.28 -0.19 -1.12 0.04 0.00 0.00 177.00 173.57 2k4i s SER 128 N 6.86 2.79 0.97 6.66 0.01 -1.26 -5.12 113.70 124.61 2k4i s SER 128 Ca 0.71 -0.52 -0.11 0.00 1.31 0.00 0.00 55.95 57.34 2k4i s SER 128 Cb -0.16 -1.27 0.15 0.00 0.21 0.00 0.00 66.02 64.95 2k4i s SER 128 CO 0.27 0.05 0.99 -1.54 0.41 0.00 0.00 173.24 173.42 2k4i n SER 129 N 4.10 -0.38 -4.44 2.44 3.41 -1.26 -4.96 113.62 112.52 2k4i n SER 129 Ca -0.20 0.31 -0.29 0.00 -0.26 0.00 0.00 58.87 58.43 2k4i n SER 129 Cb 0.51 -1.40 0.15 0.00 -0.26 0.00 0.00 64.21 63.22 2k4i n SER 129 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2k4i s GLU 130 N -4.43 1.01 -1.24 4.33 2.12 -1.26 -4.22 118.70 115.00 2k4i s GLU 130 Ca 0.65 -0.13 -0.00 0.00 0.36 0.00 0.00 54.97 55.86 2k4i s GLU 130 Cb -0.23 -1.86 -0.00 0.00 0.26 0.00 0.00 34.13 32.30 2k4i s GLU 130 CO 0.61 -2.21 0.88 1.17 -0.54 0.00 0.00 175.26 175.16 2k4i n LYS 131 N -3.69 -5.91 0.02 4.30 3.00 -1.26 -4.76 118.16 109.85 2k4i n LYS 131 Ca 0.12 0.76 0.00 0.00 -0.00 0.00 0.00 58.31 59.18 2k4i n LYS 131 Cb 0.60 -5.58 0.00 0.00 0.00 0.00 0.00 35.03 30.04 2k4i n LYS 131 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2k4i n GLY 132 N -1.31 -1.93 3.57 3.14 0.00 -1.26 -5.05 105.19 102.34 2k4i n GLY 132 Ca -0.29 0.56 -0.39 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.13 1.18 -0.58 -0.02 0.00 -1.26 -4.90 107.32 100.62 2k4i s GLY 133 Ca 0.00 -2.41 -0.01 0.00 0.00 0.00 0.00 44.72 42.29 2k4i s GLY 133 CO 0.00 2.87 0.37 0.21 0.00 0.00 0.00 173.10 176.56 2k4i s ASN 134 N 5.18 5.06 0.00 1.64 3.84 -1.26 -5.07 114.94 124.33 2k4i s ASN 134 Ca 0.54 -2.78 0.27 0.00 0.21 0.00 0.00 52.86 51.09 2k4i s ASN 134 Cb 0.01 -1.81 0.74 0.00 -0.55 0.00 0.00 41.25 39.64 2k4i s ASN 134 CO -0.00 -0.36 1.57 0.00 -2.79 0.00 0.00 177.10 175.52