#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4h n ALA 3 N 0.00 3.00 -2.28 4.61 0.00 -1.26 -5.07 120.51 119.52 2k4h n ALA 3 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 2k4h n ALA 3 Cb 0.00 0.06 -0.06 0.00 0.00 0.00 0.00 19.45 19.45 2k4h n ALA 3 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2k4h s ARG 4 N -1.28 4.18 0.00 0.00 3.52 -1.26 -5.08 118.95 119.03 2k4h s ARG 4 Ca 0.00 0.71 0.01 0.00 -0.13 0.00 0.00 55.73 56.32 2k4h s ARG 4 Cb 0.00 -3.18 -0.00 0.00 -1.56 0.00 0.00 34.95 30.21 2k4h s ARG 4 CO 0.00 0.61 -0.03 1.21 -0.81 0.00 0.00 175.30 176.28 2k4h s ASN 5 N -1.22 0.29 -0.31 -2.12 3.84 -1.26 -5.05 114.94 109.11 2k4h s ASN 5 Ca 0.31 -0.10 0.18 0.00 0.21 0.00 0.00 52.86 53.46 2k4h s ASN 5 Cb -0.19 -0.02 0.46 0.00 -0.55 0.00 0.00 41.25 40.95 2k4h s ASN 5 CO 0.19 -0.01 1.25 -1.54 -2.79 0.00 0.00 177.10 174.20 2k4h n SER 6 N 2.85 0.24 -0.06 -4.21 3.41 -1.26 -4.90 113.62 109.69 2k4h n SER 6 Ca -0.14 -2.24 -0.08 0.00 -0.26 0.00 0.00 58.87 56.16 2k4h n SER 6 Cb 0.59 0.03 -0.07 0.00 -0.26 0.00 0.00 64.21 64.50 2k4h n SER 6 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2k4h n VAL 7 N -0.81 0.77 -1.74 -3.33 0.31 -1.26 -5.00 118.33 107.27 2k4h n VAL 7 Ca -0.01 -0.35 -0.42 0.00 -0.01 0.00 0.00 64.34 63.55 2k4h n VAL 7 Cb 0.83 -0.90 -0.02 0.00 -0.91 0.00 0.00 33.84 32.85 2k4h n VAL 7 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2k4h n LEU 8 N -2.74 4.35 0.00 7.52 4.77 -1.26 -5.00 117.00 124.63 2k4h n LEU 8 Ca -0.22 1.13 -0.04 0.00 -0.03 0.00 0.00 56.01 56.85 2k4h n LEU 8 Cb 0.79 -1.60 0.03 0.00 -2.33 0.00 0.00 43.42 40.31 2k4h n LEU 8 CO 0.17 0.19 0.12 -1.14 -1.33 0.00 0.00 177.39 175.39 2k4h n ARG 9 N 2.53 0.15 0.00 3.23 3.00 -1.26 -4.95 116.66 119.36 2k4h n ARG 9 Ca 0.10 -0.40 0.00 0.00 -0.00 0.00 0.00 57.85 57.55 2k4h n ARG 9 Cb 0.37 -0.17 0.00 0.00 0.00 0.00 0.00 32.46 32.66 2k4h n ARG 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2k4h n GLY 10 N 3.64 -0.11 0.21 5.14 0.00 -1.26 -3.24 105.19 109.57 2k4h n GLY 10 Ca 0.03 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.08 2k4h n GLY 10 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2k4h h LYS 11 N 0.00 0.05 -0.43 1.61 1.63 -2.02 -2.73 116.57 114.68 2k4h h LYS 11 Ca 0.00 -0.01 -0.14 0.00 -0.85 0.00 0.00 60.65 59.65 2k4h h LYS 11 Cb 0.00 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.61 2k4h h LYS 11 CO 0.00 0.30 -0.27 0.87 -3.45 0.00 0.00 179.45 176.90 2k4h h LYS 12 N 0.04 0.94 -0.99 1.90 1.79 -1.99 -3.05 116.57 115.21 2k4h h LYS 12 Ca 0.01 -0.44 0.13 0.00 -2.18 0.00 0.00 60.65 58.17 2k4h h LYS 12 Cb 0.47 -0.01 -0.09 0.00 -1.58 0.00 0.00 32.23 31.02 2k4h h LYS 12 CO 0.03 1.10 0.61 0.00 -1.08 0.00 0.00 179.45 180.11 2k4h h ALA 13 N 0.82 1.51 0.84 3.86 0.00 -1.46 -0.22 119.26 124.61 2k4h h ALA 13 Ca 0.09 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2k4h h ALA 13 Cb 0.85 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.46 2k4h h ALA 13 CO 0.07 0.18 -0.41 0.22 0.00 0.00 0.00 179.25 179.32 2k4h h ASP 14 N 0.94 -0.96 -0.71 0.00 3.58 -1.53 0.18 116.42 117.93 2k4h h ASP 14 Ca 0.50 0.03 0.15 0.00 0.42 0.00 0.00 57.03 58.13 2k4h h ASP 14 Cb 0.54 0.25 -0.04 0.00 1.72 0.00 0.00 39.33 41.79 2k4h h ASP 14 CO -0.28 -0.69 0.48 -0.33 -2.88 0.00 0.00 179.24 175.54 2k4h h GLU 15 N -1.14 0.33 -0.03 0.28 3.07 -1.48 0.32 114.58 115.94 2k4h h GLU 15 Ca -0.12 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.71 2k4h h GLU 15 Cb 0.87 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 28.70 2k4h h GLU 15 CO 0.19 0.22 -0.03 1.25 -1.40 0.00 0.00 179.01 179.24 2k4h h LEU 16 N 0.34 0.08 0.00 1.33 7.12 -0.76 -2.74 115.31 120.69 2k4h h LEU 16 Ca 0.34 -0.48 0.00 0.00 0.13 0.00 0.00 57.88 57.87 2k4h h LEU 16 Cb 0.86 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.97 2k4h h LEU 16 CO -0.09 0.55 0.00 -0.62 -0.13 0.00 0.00 178.44 178.14 2k4h n GLU 17 N -4.79 0.45 -0.05 1.25 1.02 0.62 -3.42 120.64 115.71 2k4h n GLU 17 Ca -0.08 0.04 -0.19 0.00 -0.02 0.00 0.00 57.16 56.91 2k4h n GLU 17 Cb 0.27 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.06 2k4h n GLU 17 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2k4h h ARG 18 N 0.00 0.09 -6.49 3.49 2.43 -0.22 -3.41 114.38 110.27 2k4h h ARG 18 Ca 0.00 -0.16 -0.61 0.00 -0.81 0.00 0.00 59.98 58.41 2k4h h ARG 18 Cb 0.20 0.06 0.08 0.00 -0.42 0.00 0.00 29.97 29.89 2k4h h ARG 18 CO 0.00 1.07 0.55 -0.89 -1.51 0.00 0.00 179.97 179.19 2k4h n ILE 19 N -4.33 0.70 -3.21 1.20 5.41 -1.05 -4.91 119.36 113.17 2k4h n ILE 19 Ca -0.21 -0.18 -0.39 0.00 1.00 0.00 0.00 62.75 62.97 2k4h n ILE 19 Cb 0.69 -1.28 -0.06 0.00 -0.71 0.00 0.00 39.64 38.28 2k4h n ILE 19 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2k4h s ARG 20 N -0.11 4.31 0.56 0.38 0.52 -1.01 -2.93 118.95 120.67 2k4h s ARG 20 Ca 0.72 0.74 0.25 0.00 -0.52 0.00 0.00 55.73 56.93 2k4h s ARG 20 Cb -0.73 -3.33 1.52 0.00 0.52 0.00 0.00 34.95 32.93 2k4h s ARG 20 CO 0.48 0.39 2.09 -0.07 0.02 0.00 0.00 175.30 178.21 2k4h h LEU 21 N 5.54 0.00 -8.37 2.53 3.38 -1.10 -0.62 115.31 116.67 2k4h h LEU 21 Ca -0.46 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.33 2k4h h LEU 21 Cb 1.20 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.80 2k4h h LEU 21 CO 0.69 0.00 -0.69 -0.13 0.09 0.00 0.00 178.44 178.40 2k4h s ARG 22 N -4.81 0.76 0.27 1.13 3.00 -1.26 -4.26 118.95 113.77 2k4h s ARG 22 Ca -0.05 -1.30 0.05 0.00 0.00 0.00 0.00 55.73 54.43 2k4h s ARG 22 Cb 0.17 -0.02 0.38 0.00 0.00 0.00 0.00 34.95 35.47 2k4h s ARG 22 CO 0.62 -0.07 1.65 -1.00 0.00 0.00 0.00 175.30 176.50 2k4h h PRO 23 N 3.03 0.29 -0.13 3.54 0.13 -1.92 -3.19 132.00 133.74 2k4h h PRO 23 Ca -0.35 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2k4h h PRO 23 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2k4h h PRO 23 CO 0.65 0.69 0.00 0.41 -0.23 0.00 0.00 178.00 179.52 2k4h n GLY 24 N -0.06 4.25 1.71 1.56 0.00 -1.26 -5.02 105.19 106.37 2k4h n GLY 24 Ca -0.02 -0.96 -0.09 0.00 0.00 0.00 0.00 46.02 44.95 2k4h n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4h n GLY 25 N -0.85 1.97 0.00 -0.02 0.00 -1.21 -5.05 105.19 100.03 2k4h n GLY 25 Ca 0.17 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 44.01 2k4h n GLY 25 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k4h n LYS 26 N -1.54 0.17 -3.44 1.61 4.81 -1.26 -4.88 118.16 113.62 2k4h n LYS 26 Ca 0.07 -0.50 -0.31 0.00 -0.87 0.00 0.00 58.31 56.69 2k4h n LYS 26 Cb 0.26 -0.75 -0.05 0.00 0.02 0.00 0.00 35.03 34.51 2k4h n LYS 26 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2k4h s LYS 27 N -0.17 3.76 0.35 1.64 1.02 -1.26 -5.00 119.74 120.08 2k4h s LYS 27 Ca 0.00 0.19 0.07 0.00 0.02 0.00 0.00 55.97 56.25 2k4h s LYS 27 Cb 0.00 -2.68 -0.07 0.00 -0.52 0.00 0.00 37.83 34.57 2k4h s LYS 27 CO 0.00 0.33 -0.01 0.15 -0.92 0.00 0.00 175.35 174.90 2k4h s LYS 28 N -2.87 1.79 0.40 1.68 1.02 -1.26 -0.52 119.74 119.98 2k4h s LYS 28 Ca 0.46 -1.98 -0.26 0.00 0.02 0.00 0.00 55.97 54.22 2k4h s LYS 28 Cb -0.11 -1.39 -0.09 0.00 -0.52 0.00 0.00 37.83 35.73 2k4h s LYS 28 CO 0.23 -0.03 1.27 0.71 -0.92 0.00 0.00 175.35 176.61 2k4h s TYR 29 N -2.88 2.88 0.18 3.18 2.02 -1.15 -4.75 117.35 116.83 2k4h s TYR 29 Ca 0.34 1.44 -0.09 0.00 -0.37 0.00 0.00 57.07 58.40 2k4h s TYR 29 Cb 0.07 -3.61 -0.01 0.00 -0.40 0.00 0.00 41.96 38.01 2k4h s TYR 29 CO 0.16 -1.91 0.29 0.50 -1.57 0.00 0.00 175.55 173.02 2k4h s ARG 30 N -2.23 1.22 0.45 -0.62 6.06 -1.26 -4.30 118.95 118.26 2k4h s ARG 30 Ca 0.57 -1.24 0.25 0.00 -2.50 0.00 0.00 55.73 52.81 2k4h s ARG 30 Cb -0.37 0.38 1.27 0.00 0.06 0.00 0.00 34.95 36.30 2k4h s ARG 30 CO 0.47 -0.45 1.77 1.25 -2.50 0.00 0.00 175.30 175.84 2k4h h LEU 31 N 2.51 0.28 -0.99 -0.88 5.85 -2.00 0.26 115.31 120.34 2k4h h LEU 31 Ca -0.31 0.06 0.17 0.00 0.84 0.00 0.00 57.88 58.64 2k4h h LEU 31 Cb 1.23 0.02 -0.10 0.00 0.37 0.00 0.00 40.66 42.18 2k4h h LEU 31 CO 0.47 0.04 0.60 0.11 -0.34 0.00 0.00 178.44 179.32 2k4h h LYS 32 N 0.24 0.77 -0.01 1.25 1.57 -1.99 0.47 116.57 118.87 2k4h h LYS 32 Ca 0.60 -0.05 -0.18 0.00 -1.87 0.00 0.00 60.65 59.15 2k4h h LYS 32 Cb 1.83 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.95 2k4h h LYS 32 CO -0.21 0.51 -0.80 0.45 -0.57 0.00 0.00 179.45 178.83 2k4h h HIS 33 N 0.80 0.24 -0.40 -1.35 3.86 -0.90 -2.99 115.15 114.41 2k4h h HIS 33 Ca 0.56 -0.12 -0.16 0.00 -1.16 0.00 0.00 60.37 59.49 2k4h h HIS 33 Cb 0.80 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.23 2k4h h HIS 33 CO -0.01 0.89 -0.36 0.82 0.86 0.00 0.00 177.93 180.13 2k4h h ILE 34 N 0.10 1.27 -0.05 2.45 2.04 -0.87 -2.88 117.51 119.58 2k4h h ILE 34 Ca -0.03 -1.53 -0.00 0.00 1.00 0.00 0.00 64.86 64.30 2k4h h ILE 34 Cb 1.39 1.34 -0.00 0.00 -0.74 0.00 0.00 36.82 38.81 2k4h h ILE 34 CO 0.12 0.52 0.02 0.58 0.00 0.00 0.00 178.15 179.39 2k4h h VAL 35 N 0.78 1.11 -0.12 1.67 2.07 -1.15 -2.03 116.25 118.57 2k4h h VAL 35 Ca 0.07 -0.31 0.03 0.00 0.82 0.00 0.00 66.70 67.32 2k4h h VAL 35 Cb 0.96 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.95 2k4h h VAL 35 CO 0.09 0.09 0.11 -0.25 0.02 0.00 0.00 177.57 177.63 2k4h h TRP 36 N -0.05 0.00 -0.06 1.57 7.01 -1.54 -1.83 115.95 121.04 2k4h h TRP 36 Ca 0.02 0.00 -0.13 0.00 2.11 0.00 0.00 58.89 60.88 2k4h h TRP 36 Cb 0.12 0.00 0.01 0.00 -2.10 0.00 0.00 29.16 27.19 2k4h h TRP 36 CO -0.03 0.00 -0.47 0.00 -2.79 0.00 0.00 178.44 175.15 2k4h h ALA 37 N 1.90 0.14 -0.90 2.65 0.00 -1.20 -3.25 119.26 118.60 2k4h h ALA 37 Ca 0.06 -0.50 0.02 0.00 0.00 0.00 0.00 54.91 54.48 2k4h h ALA 37 Cb 0.27 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 2k4h h ALA 37 CO -0.00 0.31 0.59 0.00 0.00 0.00 0.00 179.25 180.16 2k4h h ALA 38 N 0.41 1.38 -0.61 0.00 0.00 -0.66 -1.65 119.26 118.14 2k4h h ALA 38 Ca -0.04 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 54.90 2k4h h ALA 38 Cb 1.14 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 2k4h h ALA 38 CO 0.10 0.56 0.41 -0.97 0.00 0.00 0.00 179.25 179.35 2k4h h ASN 39 N 1.19 0.41 -0.05 0.00 -1.24 -1.48 -1.99 115.58 112.43 2k4h h ASN 39 Ca 0.34 0.01 -0.13 0.00 0.71 0.00 0.00 56.30 57.23 2k4h h ASN 39 Cb -0.10 -0.08 0.01 0.00 0.73 0.00 0.00 38.32 38.88 2k4h h ASN 39 CO -0.08 0.25 -0.46 0.50 -1.29 0.00 0.00 177.43 176.35 2k4h h LYS 40 N 0.46 0.40 -0.48 6.67 1.63 -1.36 -3.15 116.57 120.75 2k4h h LYS 40 Ca 0.28 -0.37 0.14 0.00 -0.85 0.00 0.00 60.65 59.85 2k4h h LYS 40 Cb 0.48 0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.18 2k4h h LYS 40 CO -0.08 1.02 0.48 -0.07 -3.45 0.00 0.00 179.45 177.34 2k4h h LEU 41 N -0.08 0.00 -0.01 5.20 3.38 -0.96 -0.72 115.31 122.12 2k4h h LEU 41 Ca -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2k4h h LEU 41 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2k4h h LEU 41 CO 0.09 0.00 -0.03 -0.78 0.09 0.00 0.00 178.44 177.81 2k4h h ASP 42 N 0.00 0.04 -0.43 -0.43 1.82 -1.45 0.34 116.42 116.32 2k4h h ASP 42 Ca 0.23 -0.66 0.13 0.00 -0.39 0.00 0.00 57.03 56.33 2k4h h ASP 42 Cb 1.18 -0.01 -0.02 0.00 0.68 0.00 0.00 39.33 41.16 2k4h h ASP 42 CO -0.00 0.70 0.55 0.03 -1.61 0.00 0.00 179.24 178.91 2k4h h ARG 43 N -0.61 0.00 0.00 0.28 2.47 -1.14 -1.45 114.38 113.92 2k4h h ARG 43 Ca -0.00 0.00 -0.40 0.00 -1.26 0.00 0.00 59.98 58.31 2k4h h ARG 43 Cb 0.70 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.95 2k4h h ARG 43 CO 0.01 0.00 -2.49 1.19 0.56 0.00 0.00 179.97 179.24 2k4h n PHE 44 N -3.50 0.00 0.00 3.04 3.72 -1.14 -5.05 117.46 114.54 2k4h n PHE 44 Ca 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 2k4h n PHE 44 Cb 0.72 -0.99 0.00 0.00 -0.94 0.00 0.00 39.48 38.27 2k4h n PHE 44 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2k4h n GLY 45 N 2.05 4.20 3.36 1.37 0.00 0.11 -5.11 105.19 111.17 2k4h n GLY 45 Ca -0.48 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.24 2k4h n GLY 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k4h n LEU 46 N 0.00 -1.74 -4.78 0.99 4.32 -0.77 -4.77 117.00 110.26 2k4h n LEU 46 Ca 0.00 0.90 -0.37 0.00 -0.02 0.00 0.00 56.01 56.53 2k4h n LEU 46 Cb 0.00 -0.96 -0.03 0.00 -1.62 0.00 0.00 43.42 40.81 2k4h n LEU 46 CO 0.00 -3.58 0.77 0.00 -1.22 0.00 0.00 177.39 173.36 2k4h s ALA 47 N -1.49 3.05 -0.33 -1.18 0.00 -1.26 -4.09 121.76 116.47 2k4h s ALA 47 Ca 0.61 0.79 0.21 0.00 0.00 0.00 0.00 51.96 53.57 2k4h s ALA 47 Cb -0.68 -3.31 0.29 0.00 0.00 0.00 0.00 23.12 19.41 2k4h s ALA 47 CO 0.60 -0.37 1.57 1.05 0.00 0.00 0.00 175.76 178.61 2k4h h GLU 48 N 2.36 0.00 0.00 0.00 -0.00 -1.90 -3.13 114.58 111.91 2k4h h GLU 48 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.87 2k4h h GLU 48 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.98 2k4h h GLU 48 CO 0.62 0.15 0.00 0.45 -0.00 0.00 0.00 179.01 180.23 2k4h n SER 49 N -3.14 0.00 0.00 3.06 2.88 -1.26 -2.11 113.62 113.04 2k4h n SER 49 Ca 0.03 0.48 0.14 0.00 -1.33 0.00 0.00 58.87 58.19 2k4h n SER 49 Cb 0.58 -0.49 0.81 0.00 -0.75 0.00 0.00 64.21 64.36 2k4h n SER 49 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2k4h n LEU 50 N -1.49 0.00 0.00 2.46 4.77 -1.18 -3.10 117.00 118.46 2k4h n LEU 50 Ca 0.04 0.09 0.12 0.00 -0.03 0.00 0.00 56.01 56.23 2k4h n LEU 50 Cb 0.17 -0.09 0.71 0.00 -2.33 0.00 0.00 43.42 41.88 2k4h n LEU 50 CO 0.13 -0.01 0.95 0.18 -1.33 0.00 0.00 177.39 177.31 2k4h n LEU 51 N -1.09 0.00 -0.78 2.23 4.77 -0.90 -3.06 117.00 118.17 2k4h n LEU 51 Ca 0.19 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.23 2k4h n LEU 51 Cb 0.14 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.37 2k4h n LEU 51 CO 0.18 0.00 0.30 -1.84 -1.33 0.00 0.00 177.39 174.69 2k4h n GLU 52 N -0.89 1.05 -3.75 3.23 0.28 -1.18 -4.97 120.64 114.41 2k4h n GLU 52 Ca 0.18 -2.77 -0.13 0.00 -0.16 0.00 0.00 57.16 54.28 2k4h n GLU 52 Cb 0.08 -1.12 -0.11 0.00 1.43 0.00 0.00 31.44 31.72 2k4h n GLU 52 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2k4h s SER 53 N -2.76 -0.33 0.05 -1.84 0.15 -1.17 -5.07 113.70 102.73 2k4h s SER 53 Ca 0.35 0.63 -0.35 0.00 0.70 0.00 0.00 55.95 57.27 2k4h s SER 53 Cb 0.35 0.61 -0.20 0.00 -1.71 0.00 0.00 66.02 65.07 2k4h s SER 53 CO -0.08 -0.12 1.51 0.50 1.20 0.00 0.00 173.24 176.24 2k4h h LYS 54 N 6.02 -1.16 -0.93 5.44 3.64 -1.91 0.67 116.57 128.35 2k4h h LYS 54 Ca -0.29 0.08 0.17 0.00 -1.27 0.00 0.00 60.65 59.34 2k4h h LYS 54 Cb 1.18 0.26 -0.10 0.00 -0.41 0.00 0.00 32.23 33.16 2k4h h LYS 54 CO 0.32 -0.77 0.52 1.49 -2.27 0.00 0.00 179.45 178.74 2k4h h GLU 55 N -1.25 0.66 -0.42 1.90 4.22 -1.97 -0.18 114.58 117.54 2k4h h GLU 55 Ca -0.12 -0.04 -0.09 0.00 0.08 0.00 0.00 59.36 59.19 2k4h h GLU 55 Cb 0.92 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 2k4h h GLU 55 CO 0.20 0.43 -0.09 0.78 -2.18 0.00 0.00 179.01 178.16 2k4h h GLY 56 N 0.68 0.87 1.05 1.92 0.00 -1.76 -2.96 103.07 102.86 2k4h h GLY 56 Ca 0.53 -0.71 -0.05 0.00 0.00 0.00 0.00 47.33 47.10 2k4h h GLY 56 CO -0.39 0.64 0.31 0.00 0.00 0.00 0.00 176.54 177.11 2k4h h GLN 58 N 1.15 1.19 0.00 0.00 4.15 -1.01 -0.16 115.11 120.44 2k4h h GLN 58 Ca 0.26 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.58 2k4h h GLN 58 Cb 0.22 -0.27 -0.00 0.00 0.21 0.00 0.00 27.48 27.64 2k4h h GLN 58 CO -0.02 0.79 -0.14 0.87 -1.93 0.00 0.00 178.83 178.40 2k4h h LYS 59 N 1.23 0.00 0.05 1.69 6.56 -1.31 -2.86 116.57 121.92 2k4h h LYS 59 Ca 0.41 0.00 -0.26 0.00 -1.06 0.00 0.00 60.65 59.74 2k4h h LYS 59 Cb 0.06 0.00 0.02 0.00 -0.57 0.00 0.00 32.23 31.74 2k4h h LYS 59 CO -0.14 0.14 -1.04 0.82 -2.06 0.00 0.00 179.45 177.17 2k4h h ILE 60 N 0.00 1.31 -0.84 1.86 2.04 -0.83 -3.08 117.51 117.97 2k4h h ILE 60 Ca -0.00 -2.30 -0.02 0.00 1.00 0.00 0.00 64.86 63.54 2k4h h ILE 60 Cb 0.50 2.55 -0.04 0.00 -0.74 0.00 0.00 36.82 39.10 2k4h h ILE 60 CO 0.02 0.70 0.45 -0.07 0.00 0.00 0.00 178.15 179.24 2k4h h LEU 61 N 0.25 1.05 -1.54 1.44 3.38 -1.18 0.01 115.31 118.73 2k4h h LEU 61 Ca -0.14 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 2k4h h LEU 61 Cb 1.71 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 42.19 2k4h h LEU 61 CO 0.20 0.86 -0.24 0.00 0.09 0.00 0.00 178.44 179.35 2k4h h THR 62 N 1.17 0.94 0.14 0.22 1.03 -1.58 0.26 112.91 115.08 2k4h h THR 62 Ca 0.29 -0.89 -0.30 0.00 -0.01 0.00 0.00 66.41 65.50 2k4h h THR 62 Cb 0.05 1.51 0.00 0.00 -1.07 0.00 0.00 68.15 68.65 2k4h h THR 62 CO -0.04 0.23 -1.41 0.58 -0.01 0.00 0.00 175.52 174.87 2k4h h VAL 63 N 0.00 1.30 0.00 0.00 2.07 -1.26 -3.31 116.25 115.05 2k4h h VAL 63 Ca -0.00 -2.89 0.00 0.00 0.82 0.00 0.00 66.70 64.63 2k4h h VAL 63 Cb 0.50 2.86 0.00 0.00 -1.52 0.00 0.00 31.29 33.13 2k4h h VAL 63 CO 0.03 0.85 -0.28 -0.07 0.02 0.00 0.00 177.57 178.12 2k4h h LEU 64 N 0.08 0.00 0.18 2.57 3.38 -0.75 -3.31 115.31 117.46 2k4h h LEU 64 Ca -0.20 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.78 2k4h h LEU 64 Cb 2.01 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.72 2k4h h LEU 64 CO 0.19 0.00 -0.50 -0.78 0.09 0.00 0.00 178.44 177.44 2k4h h ASP 65 N 0.00 -1.49 0.92 -0.43 3.58 -0.56 -0.07 116.42 118.36 2k4h h ASP 65 Ca 0.00 0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.60 2k4h h ASP 65 Cb 1.00 0.54 0.00 0.00 1.72 0.00 0.00 39.33 42.59 2k4h h ASP 65 CO 0.00 -0.55 0.00 1.55 -2.88 0.00 0.00 179.24 177.36 2k4h h PRO 66 N -0.76 0.00 0.00 0.28 0.13 -1.73 -2.67 132.00 127.24 2k4h h PRO 66 Ca -0.02 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.02 2k4h h PRO 66 Cb 0.75 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 2k4h h PRO 66 CO -0.24 0.00 -0.43 0.52 -0.23 0.00 0.00 178.00 177.62 2k4h h MET 67 N 0.00 0.00 0.38 0.86 2.86 -1.40 -3.31 114.93 114.32 2k4h h MET 67 Ca 0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2k4h h MET 67 Cb 0.46 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.09 2k4h h MET 67 CO 0.00 0.43 -0.42 0.28 1.06 0.00 0.00 176.91 178.26 2k4h h VAL 68 N 0.00 0.15 0.00 -2.22 2.07 -0.67 0.20 116.25 115.78 2k4h h VAL 68 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2k4h h VAL 68 Cb 1.22 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2k4h h VAL 68 CO 0.06 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 176.84 2k4h n PRO 69 N -5.50 0.49 -1.80 1.57 -0.04 -1.25 -2.50 135.00 125.96 2k4h n PRO 69 Ca -0.10 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.37 2k4h n PRO 69 Cb 0.41 -1.47 0.05 0.00 -0.04 0.00 0.00 33.50 32.45 2k4h n PRO 69 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2k4h n THR 70 N -0.97 0.77 -4.11 0.52 -1.04 -0.44 -5.10 114.28 103.91 2k4h n THR 70 Ca 0.11 -2.00 -0.16 0.00 -2.04 0.00 0.00 64.05 59.97 2k4h n THR 70 Cb 0.05 0.82 -0.04 0.00 -1.82 0.00 0.00 70.33 69.33 2k4h n THR 70 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k4h n GLY 71 N -0.07 2.28 0.00 3.41 0.00 0.59 -4.92 105.19 106.48 2k4h n GLY 71 Ca 0.10 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.44 2k4h n GLY 71 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k4h n SER 72 N -1.64 1.74 -0.24 1.61 3.41 -1.26 -4.90 113.62 112.34 2k4h n SER 72 Ca 0.02 -0.82 0.04 0.00 -0.26 0.00 0.00 58.87 57.84 2k4h n SER 72 Cb 0.59 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.70 2k4h n SER 72 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2k4h h GLU 73 N 0.00 0.37 -0.35 4.33 5.08 -1.98 0.38 114.58 122.41 2k4h h GLU 73 Ca 0.00 -0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.44 2k4h h GLU 73 Cb 0.00 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2k4h h GLU 73 CO 0.00 0.24 0.36 -0.91 -1.00 0.00 0.00 179.01 177.70 2k4h h ASN 74 N 0.38 0.00 0.02 1.42 4.21 -2.00 0.22 115.58 119.83 2k4h h ASN 74 Ca 0.38 0.00 -0.32 0.00 1.21 0.00 0.00 56.30 57.57 2k4h h ASN 74 Cb 0.57 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.73 2k4h h ASN 74 CO -0.40 0.00 -1.76 -0.11 -1.29 0.00 0.00 177.43 173.87 2k4h n LEU 75 N -3.85 2.10 -0.05 1.61 0.00 0.10 -4.22 117.00 112.69 2k4h n LEU 75 Ca 0.06 0.33 0.08 0.00 0.00 0.00 0.00 56.01 56.47 2k4h n LEU 75 Cb 0.52 -0.96 0.45 0.00 0.00 0.00 0.00 43.42 43.43 2k4h n LEU 75 CO 0.29 0.49 1.18 0.11 0.00 0.00 0.00 177.39 179.46 2k4h h LYS 76 N -0.74 0.49 -0.65 1.96 1.57 -0.04 -1.92 116.57 117.24 2k4h h LYS 76 Ca -0.46 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.36 2k4h h LYS 76 Cb 1.55 -0.11 -0.06 0.00 0.08 0.00 0.00 32.23 33.69 2k4h h LYS 76 CO -0.20 0.32 0.35 0.77 -0.57 0.00 0.00 179.45 180.13 2k4h h SER 77 N 0.50 0.51 -0.32 0.86 0.02 -0.76 -1.80 113.55 112.56 2k4h h SER 77 Ca 0.22 0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.15 2k4h h SER 77 Cb 0.24 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 2k4h h SER 77 CO -0.06 0.33 0.00 0.25 -1.14 0.00 0.00 176.83 176.21 2k4h h LEU 78 N 0.65 0.56 -1.02 5.07 5.85 -1.53 -2.45 115.31 122.44 2k4h h LEU 78 Ca 0.30 -0.31 0.13 0.00 0.84 0.00 0.00 57.88 58.84 2k4h h LEU 78 Cb 0.21 -0.15 -0.09 0.00 0.37 0.00 0.00 40.66 41.00 2k4h h LEU 78 CO -0.19 0.73 0.63 0.15 -0.34 0.00 0.00 178.44 179.42 2k4h h PHE 79 N 0.37 1.13 0.00 1.25 3.57 -1.15 0.41 116.94 122.52 2k4h h PHE 79 Ca 0.09 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.62 2k4h h PHE 79 Cb 0.44 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.82 2k4h h PHE 79 CO 0.04 0.42 0.00 -0.91 -2.23 0.00 0.00 178.31 175.63 2k4h h ASN 80 N 0.96 0.00 0.18 0.41 4.21 -1.17 -2.99 115.58 117.18 2k4h h ASN 80 Ca 0.51 0.00 -0.36 0.00 1.21 0.00 0.00 56.30 57.66 2k4h h ASN 80 Cb 0.55 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.74 2k4h h ASN 80 CO -0.28 0.00 -1.89 0.74 -1.29 0.00 0.00 177.43 174.71 2k4h h THR 81 N 0.00 0.75 0.00 2.81 2.02 0.02 -3.35 112.91 115.16 2k4h h THR 81 Ca 0.00 -2.43 -0.06 0.00 0.77 0.00 0.00 66.41 64.69 2k4h h THR 81 Cb 0.69 2.59 -0.01 0.00 -1.74 0.00 0.00 68.15 69.69 2k4h h THR 81 CO 0.00 0.87 -0.27 0.58 0.37 0.00 0.00 175.52 177.07 2k4h h VAL 82 N 0.08 1.13 0.00 3.16 2.07 -0.39 -2.03 116.25 120.26 2k4h h VAL 82 Ca -0.39 -0.93 -0.05 0.00 0.82 0.00 0.00 66.70 66.15 2k4h h VAL 82 Cb 2.05 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 33.33 2k4h h VAL 82 CO 0.12 0.26 -0.22 0.00 0.02 0.00 0.00 177.57 177.75 2k4h h VAL 84 N 0.00 1.20 0.49 0.00 2.07 -1.51 -3.24 116.25 115.27 2k4h h VAL 84 Ca -0.00 -2.49 -0.02 0.00 0.82 0.00 0.00 66.70 65.00 2k4h h VAL 84 Cb 0.64 2.91 0.00 0.00 -1.52 0.00 0.00 31.29 33.33 2k4h h VAL 84 CO 0.03 0.74 -0.24 0.40 0.02 0.00 0.00 177.57 178.52 2k4h h ILE 85 N -0.22 0.52 -0.64 4.57 1.08 -1.40 -2.74 117.51 118.68 2k4h h ILE 85 Ca -0.25 -0.03 0.13 0.00 -0.39 0.00 0.00 64.86 64.32 2k4h h ILE 85 Cb 1.82 0.53 -0.10 0.00 -3.07 0.00 0.00 36.82 36.00 2k4h h ILE 85 CO 0.13 0.01 0.10 -0.25 -0.69 0.00 0.00 178.15 177.44 2k4h h TRP 86 N -0.68 0.13 -0.38 1.37 7.01 -1.62 -1.32 115.95 120.47 2k4h h TRP 86 Ca -0.07 0.04 0.08 0.00 2.11 0.00 0.00 58.89 61.05 2k4h h TRP 86 Cb 0.52 0.04 -0.08 0.00 -2.10 0.00 0.00 29.16 27.54 2k4h h TRP 86 CO -0.04 -0.10 -0.16 0.00 -2.79 0.00 0.00 178.44 175.36 2k4h h ILE 88 N -0.09 0.53 0.02 0.00 2.04 -0.94 0.29 117.51 119.36 2k4h h ILE 88 Ca 0.19 -0.15 -0.20 0.00 1.00 0.00 0.00 64.86 65.69 2k4h h ILE 88 Cb 0.37 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 2k4h h ILE 88 CO -0.43 0.08 -0.94 0.45 0.00 0.00 0.00 178.15 177.30 2k4h h HIS 89 N 0.44 0.12 -0.23 1.37 3.86 -0.81 -3.15 115.15 116.75 2k4h h HIS 89 Ca 0.60 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.73 2k4h h HIS 89 Cb 1.44 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.90 2k4h h HIS 89 CO -0.00 0.97 0.00 0.00 0.86 0.00 0.00 177.93 179.75 2k4h n ALA 90 N -2.41 2.62 -3.13 2.45 0.00 0.92 -4.89 120.51 116.07 2k4h n ALA 90 Ca -0.02 -0.49 -0.14 0.00 0.00 0.00 0.00 53.44 52.79 2k4h n ALA 90 Cb 0.87 -1.00 0.07 0.00 0.00 0.00 0.00 19.45 19.39 2k4h n ALA 90 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2k4h n GLU 91 N 0.21 -3.83 -4.67 0.00 1.02 -0.70 -5.03 120.64 107.65 2k4h n GLU 91 Ca 0.08 0.75 -0.24 0.00 -0.02 0.00 0.00 57.16 57.73 2k4h n GLU 91 Cb 0.32 -5.34 -0.16 0.00 -0.02 0.00 0.00 31.44 26.24 2k4h n GLU 91 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2k4h s GLU 92 N -4.69 1.55 -0.13 3.49 0.41 -0.66 -5.02 118.70 113.65 2k4h s GLU 92 Ca 0.20 -0.49 -0.01 0.00 -0.41 0.00 0.00 54.97 54.26 2k4h s GLU 92 Cb -0.03 -1.35 -0.02 0.00 -1.78 0.00 0.00 34.13 30.96 2k4h s GLU 92 CO 0.64 0.16 -0.11 0.15 -0.49 0.00 0.00 175.26 175.61 2k4h s LYS 93 N 0.21 3.44 -0.06 1.61 1.02 -1.26 -4.05 119.74 120.65 2k4h s LYS 93 Ca -0.06 -0.64 0.04 0.00 0.02 0.00 0.00 55.97 55.33 2k4h s LYS 93 Cb -0.12 -2.70 -0.00 0.00 -0.52 0.00 0.00 37.83 34.50 2k4h s LYS 93 CO 0.02 0.24 -0.19 0.14 -0.92 0.00 0.00 175.35 174.64 2k4h s VAL 94 N 0.31 1.57 0.05 3.17 -7.23 -1.26 -5.04 120.40 111.97 2k4h s VAL 94 Ca -0.09 -0.78 -0.25 0.00 -1.81 0.00 0.00 61.98 59.05 2k4h s VAL 94 Cb -0.15 -1.36 -0.17 0.00 0.56 0.00 0.00 36.38 35.26 2k4h s VAL 94 CO 0.05 0.45 1.55 0.50 -0.31 0.00 0.00 175.10 177.33 2k4h h LYS 95 N 6.39 -0.17 -4.93 4.82 3.64 -1.96 -3.42 116.57 120.93 2k4h h LYS 95 Ca -0.30 0.01 -0.32 0.00 -1.27 0.00 0.00 60.65 58.77 2k4h h LYS 95 Cb 1.19 0.04 -0.19 0.00 -0.41 0.00 0.00 32.23 32.86 2k4h h LYS 95 CO 0.47 0.02 -0.74 0.16 -2.27 0.00 0.00 179.45 177.10 2k4h s ASP 96 N -5.18 1.37 0.21 4.20 1.47 -1.26 -2.39 116.67 115.09 2k4h s ASP 96 Ca -0.14 -0.75 -0.14 0.00 1.18 0.00 0.00 52.55 52.69 2k4h s ASP 96 Cb 0.04 0.01 0.23 0.00 -0.34 0.00 0.00 42.92 42.86 2k4h s ASP 96 CO 0.64 -0.24 1.62 0.74 0.68 0.00 0.00 175.17 178.61 2k4h h THR 97 N 3.78 0.35 -0.92 2.11 2.02 -1.28 0.56 112.91 119.52 2k4h h THR 97 Ca -0.37 0.00 0.27 0.00 0.77 0.00 0.00 66.41 67.07 2k4h h THR 97 Cb 1.19 0.35 -0.04 0.00 -1.74 0.00 0.00 68.15 67.91 2k4h h THR 97 CO 0.50 0.00 0.69 -0.33 0.37 0.00 0.00 175.52 176.75 2k4h h GLU 98 N -0.01 0.00 0.08 6.66 5.08 -1.85 0.29 114.58 124.82 2k4h h GLU 98 Ca 0.30 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.41 2k4h h GLU 98 Cb 0.47 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2k4h h GLU 98 CO -0.66 0.00 -1.16 0.78 -1.00 0.00 0.00 179.01 176.97 2k4h h GLY 99 N 0.00 0.19 1.77 -3.84 0.00 -0.31 -3.28 103.07 97.60 2k4h h GLY 99 Ca 0.44 -0.49 -0.11 0.00 0.00 0.00 0.00 47.33 47.17 2k4h h GLY 99 CO -0.00 0.43 -0.42 0.00 0.00 0.00 0.00 176.54 176.55 2k4h h ALA 100 N 0.74 1.09 0.00 3.60 0.00 0.11 -2.65 119.26 122.14 2k4h h ALA 100 Ca -0.09 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 2k4h h ALA 100 Cb 1.90 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.59 2k4h h ALA 100 CO 0.17 0.60 -0.22 -0.22 0.00 0.00 0.00 179.25 179.58 2k4h h LYS 101 N 0.21 0.00 0.16 0.00 3.64 -1.42 -2.16 116.57 117.01 2k4h h LYS 101 Ca 0.02 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.10 2k4h h LYS 101 Cb 0.83 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.66 2k4h h LYS 101 CO 0.07 0.22 -1.33 0.37 -2.27 0.00 0.00 179.45 176.51 2k4h h GLN 102 N 0.00 0.34 -0.07 1.90 4.15 -1.54 -2.58 115.11 117.31 2k4h h GLN 102 Ca -0.00 -0.58 -0.02 0.00 0.77 0.00 0.00 58.65 58.82 2k4h h GLN 102 Cb 0.57 0.22 -0.00 0.00 0.21 0.00 0.00 27.48 28.48 2k4h h GLN 102 CO 0.03 1.27 -0.03 0.82 -1.93 0.00 0.00 178.83 178.99 2k4h h ILE 103 N 0.09 1.33 -0.24 2.39 2.04 -1.26 -2.50 117.51 119.36 2k4h h ILE 103 Ca -0.18 -1.05 -0.03 0.00 1.00 0.00 0.00 64.86 64.61 2k4h h ILE 103 Cb 2.03 1.89 -0.01 0.00 -0.74 0.00 0.00 36.82 39.99 2k4h h ILE 103 CO 0.22 0.29 0.05 0.58 0.00 0.00 0.00 178.15 179.29 2k4h h VAL 104 N -0.24 1.22 -0.31 1.67 2.07 -1.53 -2.09 116.25 117.04 2k4h h VAL 104 Ca 0.01 -0.72 0.07 0.00 0.82 0.00 0.00 66.70 66.88 2k4h h VAL 104 Cb 0.48 1.23 -0.07 0.00 -1.52 0.00 0.00 31.29 31.41 2k4h h VAL 104 CO 0.01 0.23 -0.12 -0.09 0.02 0.00 0.00 177.57 177.62 2k4h h ARG 105 N 0.21 -0.06 -0.75 1.57 2.43 -1.51 -1.55 114.38 114.72 2k4h h ARG 105 Ca 0.08 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2k4h h ARG 105 Cb 0.30 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 2k4h h ARG 105 CO 0.00 -0.04 0.48 -0.09 -1.51 0.00 0.00 179.97 178.81 2k4h h ARG 106 N -0.07 1.00 -0.06 0.20 2.43 -1.39 -1.63 114.38 114.86 2k4h h ARG 106 Ca 0.16 -0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.27 2k4h h ARG 106 Cb 0.30 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2k4h h ARG 106 CO -0.35 0.68 0.05 0.45 -1.51 0.00 0.00 179.97 179.28 2k4h h HIS 107 N 1.02 0.00 0.02 2.20 3.86 -0.59 -1.12 115.15 120.54 2k4h h HIS 107 Ca 0.27 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.38 2k4h h HIS 107 Cb -0.09 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.38 2k4h h HIS 107 CO -0.02 0.00 -0.50 -0.07 0.86 0.00 0.00 177.93 178.20 2k4h h LEU 108 N 0.00 0.08 -1.12 2.43 3.38 -0.53 -3.34 115.31 116.21 2k4h h LEU 108 Ca 0.03 -0.86 0.11 0.00 0.09 0.00 0.00 57.88 57.25 2k4h h LEU 108 Cb 0.12 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.77 2k4h h LEU 108 CO -0.00 1.21 0.61 0.58 0.09 0.00 0.00 178.44 180.92 2k4h h VAL 109 N -0.88 0.94 -0.14 1.22 2.07 -1.12 0.60 116.25 118.94 2k4h h VAL 109 Ca -0.12 -0.32 0.04 0.00 0.82 0.00 0.00 66.70 67.12 2k4h h VAL 109 Cb 1.20 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2k4h h VAL 109 CO -0.03 0.17 0.13 0.00 0.02 0.00 0.00 177.57 177.85 2k4h h ALA 110 N 1.55 1.93 -0.80 1.67 0.00 -1.34 0.26 119.26 122.53 2k4h h ALA 110 Ca 0.45 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 55.00 2k4h h ALA 110 Cb 0.46 0.01 -0.21 0.00 0.00 0.00 0.00 17.79 18.05 2k4h h ALA 110 CO -0.22 -0.20 0.46 0.39 0.00 0.00 0.00 179.25 179.68 2k4h n GLU 111 N -4.16 2.62 -0.91 0.00 -0.58 0.20 -4.06 120.64 113.76 2k4h n GLU 111 Ca 0.01 -2.69 -0.03 0.00 -0.42 0.00 0.00 57.16 54.03 2k4h n GLU 111 Cb 0.25 -2.08 -0.03 0.00 -0.57 0.00 0.00 31.44 29.01 2k4h n GLU 111 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2k4h n THR 112 N -0.63 0.00 -1.81 2.62 -1.04 0.06 -4.91 114.28 108.57 2k4h n THR 112 Ca 0.47 -0.18 0.03 0.00 -2.04 0.00 0.00 64.05 62.34 2k4h n THR 112 Cb 1.45 0.46 0.05 0.00 -1.82 0.00 0.00 70.33 70.47 2k4h n THR 112 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k4h n GLY 113 N 0.09 1.98 1.94 3.41 0.00 -1.12 -4.79 105.19 106.70 2k4h n GLY 113 Ca -0.12 -0.49 -0.14 0.00 0.00 0.00 0.00 46.02 45.27 2k4h n GLY 113 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2k4h n THR 114 N -0.37 2.99 -2.05 2.61 5.66 -1.26 -4.25 114.28 117.61 2k4h n THR 114 Ca 0.06 -1.98 0.04 0.00 -3.05 0.00 0.00 64.05 59.11 2k4h n THR 114 Cb 0.75 -0.41 0.05 0.00 -1.55 0.00 0.00 70.33 69.17 2k4h n THR 114 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k4h n ALA 115 N -0.84 2.39 -2.65 1.79 0.00 -1.26 -4.91 120.51 115.02 2k4h n ALA 115 Ca 0.49 -2.03 -0.04 0.00 0.00 0.00 0.00 53.44 51.86 2k4h n ALA 115 Cb 1.46 -0.57 0.09 0.00 0.00 0.00 0.00 19.45 20.43 2k4h n ALA 115 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2k4h n GLU 116 N -0.10 0.03 -1.30 0.00 0.28 -1.26 -5.03 120.64 113.27 2k4h n GLU 116 Ca 0.07 -0.55 -0.25 0.00 -0.16 0.00 0.00 57.16 56.27 2k4h n GLU 116 Cb 0.88 -0.05 0.12 0.00 1.43 0.00 0.00 31.44 33.81 2k4h n GLU 116 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 2k4h n LYS 117 N 1.27 2.53 -1.57 3.44 2.85 -1.26 -5.03 118.16 120.39 2k4h n LYS 117 Ca -0.01 -3.31 -0.39 0.00 -1.05 0.00 0.00 58.31 53.55 2k4h n LYS 117 Cb 0.73 -2.17 0.03 0.00 -0.65 0.00 0.00 35.03 32.97 2k4h n LYS 117 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 2k4h n MET 118 N -1.00 0.95 -2.26 -1.58 2.81 -1.26 -4.92 117.12 109.86 2k4h n MET 118 Ca 0.55 0.36 -0.38 0.00 -1.81 0.00 0.00 57.70 56.41 2k4h n MET 118 Cb 1.06 -1.99 -0.02 0.00 -0.71 0.00 0.00 33.22 31.56 2k4h n MET 118 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 2k4h s PRO 119 N -2.31 4.02 -0.27 0.03 0.04 -1.26 -5.05 135.00 130.20 2k4h s PRO 119 Ca 0.69 1.88 -0.24 0.00 0.04 0.00 0.00 61.00 63.37 2k4h s PRO 119 Cb -0.48 -2.67 0.08 0.00 0.04 0.00 0.00 34.50 31.48 2k4h s PRO 119 CO 0.52 -0.36 0.77 0.45 0.04 0.00 0.00 177.00 178.43 2k4h s SER 120 N -1.10 -0.71 -0.21 6.66 0.15 -1.26 -5.15 113.70 112.09 2k4h s SER 120 Ca 0.58 1.35 0.01 0.00 0.70 0.00 0.00 55.95 58.58 2k4h s SER 120 Cb -0.32 1.36 0.05 0.00 -1.71 0.00 0.00 66.02 65.41 2k4h s SER 120 CO 0.40 -0.23 -0.09 0.42 1.20 0.00 0.00 173.24 174.93 2k4h s THR 121 N 0.42 1.67 -0.48 6.45 -4.23 -1.26 -5.03 115.64 113.18 2k4h s THR 121 Ca -0.00 -1.11 0.07 0.00 -1.18 0.00 0.00 61.69 59.46 2k4h s THR 121 Cb -0.05 -1.79 0.19 0.00 1.34 0.00 0.00 72.50 72.19 2k4h s THR 121 CO -0.01 0.09 0.72 -0.55 -0.54 0.00 0.00 174.62 174.33 2k4h s SER 122 N 1.37 -1.42 0.21 3.99 0.15 -1.26 -5.15 113.70 111.59 2k4h s SER 122 Ca -0.03 -1.36 -0.19 0.00 0.70 0.00 0.00 55.95 55.06 2k4h s SER 122 Cb -0.17 1.85 -0.08 0.00 -1.71 0.00 0.00 66.02 65.90 2k4h s SER 122 CO -0.07 -0.09 0.71 -0.13 1.20 0.00 0.00 173.24 174.86 2k4h s ARG 123 N 1.20 4.23 0.55 5.44 0.52 -1.26 -5.05 118.95 124.58 2k4h s ARG 123 Ca 0.25 0.84 -0.19 0.00 -0.52 0.00 0.00 55.73 56.11 2k4h s ARG 123 Cb -0.01 -2.89 -0.05 0.00 0.52 0.00 0.00 34.95 32.52 2k4h s ARG 123 CO -0.06 0.41 1.13 -1.25 0.02 0.00 0.00 175.30 175.55 2k4h s PRO 124 N -1.95 3.32 0.38 3.54 0.04 -1.26 -5.05 135.00 134.01 2k4h s PRO 124 Ca 0.42 1.60 0.04 0.00 0.04 0.00 0.00 61.00 63.10 2k4h s PRO 124 Cb -0.17 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 2k4h s PRO 124 CO 0.21 -0.88 0.55 -0.08 0.04 0.00 0.00 177.00 176.84 2k4h s THR 125 N -1.80 4.03 -0.08 1.26 -1.32 -1.26 -5.13 115.64 111.34 2k4h s THR 125 Ca 0.72 -0.81 -0.18 0.00 -1.21 0.00 0.00 61.69 60.22 2k4h s THR 125 Cb -0.24 -3.43 0.04 0.00 -1.51 0.00 0.00 72.50 67.36 2k4h s THR 125 CO 0.28 -0.22 0.43 0.00 -2.21 0.00 0.00 174.62 172.90 2k4h s ALA 126 N -2.32 -1.08 1.11 11.08 0.00 -1.26 -5.17 121.76 124.11 2k4h s ALA 126 Ca 0.46 0.85 -0.16 0.00 0.00 0.00 0.00 51.96 53.11 2k4h s ALA 126 Cb -0.10 -0.24 0.24 0.00 0.00 0.00 0.00 23.12 23.03 2k4h s ALA 126 CO 0.34 -0.26 1.10 -1.25 0.00 0.00 0.00 175.76 175.69 2k4h s PRO 127 N -0.73 -0.46 0.29 0.00 0.04 -1.26 -5.09 135.00 127.79 2k4h s PRO 127 Ca -0.08 0.21 -0.09 0.00 0.04 0.00 0.00 61.00 61.08 2k4h s PRO 127 Cb -0.04 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 32.85 2k4h s PRO 127 CO 0.04 -3.26 0.49 -1.12 0.04 0.00 0.00 177.00 173.19 2k4h s SER 128 N -3.68 0.29 0.21 6.66 0.01 -1.26 -5.18 113.70 110.76 2k4h s SER 128 Ca 0.68 -1.17 0.11 0.00 1.31 0.00 0.00 55.95 56.88 2k4h s SER 128 Cb -0.14 0.63 -0.05 0.00 0.21 0.00 0.00 66.02 66.67 2k4h s SER 128 CO 0.57 -1.24 -0.23 -0.55 0.41 0.00 0.00 173.24 172.21 2k4h s SER 129 N -3.11 3.50 -0.17 2.44 0.15 -1.26 -5.13 113.70 110.12 2k4h s SER 129 Ca 0.25 -0.89 0.01 0.00 0.70 0.00 0.00 55.95 56.03 2k4h s SER 129 Cb -0.01 -0.28 0.02 0.00 -1.71 0.00 0.00 66.02 64.04 2k4h s SER 129 CO 0.13 0.10 -0.18 -1.61 1.20 0.00 0.00 173.24 172.89 2k4h s GLU 130 N -2.85 2.72 -0.75 5.44 8.01 -1.26 -5.08 118.70 124.93 2k4h s GLU 130 Ca 0.23 -0.73 -0.23 0.00 0.01 0.00 0.00 54.97 54.24 2k4h s GLU 130 Cb -0.07 -2.39 0.06 0.00 -4.31 0.00 0.00 34.13 27.42 2k4h s GLU 130 CO 0.11 -0.22 1.12 0.21 0.01 0.00 0.00 175.26 176.49 2k4h s LYS 131 N 1.36 3.23 -0.29 1.61 2.36 -1.26 -4.93 119.74 121.83 2k4h s LYS 131 Ca 0.05 -0.79 -0.17 0.00 -2.55 0.00 0.00 55.97 52.51 2k4h s LYS 131 Cb -0.13 -4.40 0.17 0.00 -1.05 0.00 0.00 37.83 32.41 2k4h s LYS 131 CO -0.12 -1.95 1.08 0.20 1.55 0.00 0.00 175.35 176.11 2k4h s GLY 132 N 3.82 0.20 0.00 5.54 0.00 -1.26 -5.06 107.32 110.56 2k4h s GLY 132 Ca 0.29 3.35 0.00 0.00 0.00 0.00 0.00 44.72 48.36 2k4h s GLY 132 CO 0.07 2.60 0.00 0.61 0.00 0.00 0.00 173.10 176.39 2k4h n GLY 133 N 3.41 1.60 0.32 0.20 0.00 -1.26 -4.94 105.19 104.51 2k4h n GLY 133 Ca -0.18 -0.20 -0.02 0.00 0.00 0.00 0.00 46.02 45.62 2k4h n GLY 133 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2k4h h ASN 134 N 0.00 0.90 -0.02 1.61 2.35 -2.00 -3.58 115.58 114.83 2k4h h ASN 134 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2k4h h ASN 134 Cb 0.00 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.17 2k4h h ASN 134 CO 0.00 0.62 0.00 -1.22 -1.65 0.00 0.00 177.43 175.18