#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 -2.53 -2.46 4.61 0.00 -1.26 -5.03 120.51 113.85 2k4h n ALA 3 Ca 0.00 -0.01 -0.23 0.00 0.00 0.00 0.00 53.44 53.20 2k4h n ALA 3 Cb 0.00 -4.16 -0.09 0.00 0.00 0.00 0.00 19.45 15.19 2k4h n ALA 3 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k4h s ARG 4 N -4.54 1.77 -0.23 0.00 0.52 -1.26 -5.10 118.95 110.11 2k4h s ARG 4 Ca 0.34 -2.04 -0.16 0.00 -0.52 0.00 0.00 55.73 53.36 2k4h s ARG 4 Cb -0.07 -0.59 -0.10 0.00 0.52 0.00 0.00 34.95 34.71 2k4h s ARG 4 CO 0.78 -0.38 -0.32 0.09 0.02 0.00 0.00 175.30 175.49 2k4h n ASN 5 N -1.02 1.94 -4.12 0.23 4.13 -1.26 -4.96 115.26 110.20 2k4h n ASN 5 Ca -0.04 0.35 -0.30 0.00 1.68 0.00 0.00 54.58 56.27 2k4h n ASN 5 Cb 0.65 -0.80 -0.17 0.00 -1.54 0.00 0.00 39.78 37.93 2k4h n ASN 5 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2k4h s SER 6 N -6.79 2.77 0.06 6.41 1.04 -1.26 -4.84 113.70 111.10 2k4h s SER 6 Ca -0.34 -0.51 -0.10 0.00 0.48 0.00 0.00 55.95 55.48 2k4h s SER 6 Cb 0.10 -1.27 -0.29 0.00 0.10 0.00 0.00 66.02 64.66 2k4h s SER 6 CO 0.46 0.06 1.10 0.58 0.98 0.00 0.00 173.24 176.42 2k4h h VAL 7 N 5.87 1.37 -3.64 5.02 2.07 -2.01 -3.46 116.25 121.48 2k4h h VAL 7 Ca -0.30 -2.77 -0.45 0.00 0.82 0.00 0.00 66.70 64.00 2k4h h VAL 7 Cb 1.19 2.89 0.15 0.00 -1.52 0.00 0.00 31.29 33.99 2k4h h VAL 7 CO 0.51 0.82 0.36 -0.76 0.02 0.00 0.00 177.57 178.53 2k4h s LEU 8 N -7.49 2.77 1.34 2.57 1.43 -1.26 -5.06 118.68 112.98 2k4h s LEU 8 Ca -0.07 0.13 -0.20 0.00 -1.03 0.00 0.00 54.13 52.97 2k4h s LEU 8 Cb 0.06 -2.23 0.33 0.00 0.03 0.00 0.00 46.19 44.38 2k4h s LEU 8 CO 0.91 -2.57 0.81 0.54 0.23 0.00 0.00 176.35 176.28 2k4h n ARG 9 N -3.58 -3.86 0.19 1.70 1.74 -1.26 -4.66 116.66 106.93 2k4h n ARG 9 Ca 0.15 -1.13 -0.09 0.00 -0.77 0.00 0.00 57.85 56.01 2k4h n ARG 9 Cb 0.60 -1.93 -0.04 0.00 -1.02 0.00 0.00 32.46 30.07 2k4h n ARG 9 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2k4h h GLY 10 N -3.24 -0.59 0.79 -0.13 0.00 -1.97 -0.06 103.07 97.88 2k4h h GLY 10 Ca -0.46 0.22 0.06 0.00 0.00 0.00 0.00 47.33 47.15 2k4h h GLY 10 CO 0.31 -0.22 0.64 0.50 0.00 0.00 0.00 176.54 177.77 2k4h h LYS 11 N -1.15 1.13 -0.39 4.80 1.57 -2.02 -2.03 116.57 118.48 2k4h h LYS 11 Ca -0.06 -0.07 -0.16 0.00 -1.87 0.00 0.00 60.65 58.50 2k4h h LYS 11 Cb 0.44 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 2k4h h LYS 11 CO 0.10 0.75 -0.36 0.87 -0.57 0.00 0.00 179.45 180.23 2k4h h LYS 12 N 1.17 0.94 -1.00 3.15 6.56 -1.93 -3.08 116.57 122.38 2k4h h LYS 12 Ca 0.42 -0.48 0.17 0.00 -1.06 0.00 0.00 60.65 59.69 2k4h h LYS 12 Cb 0.14 0.01 -0.10 0.00 -0.57 0.00 0.00 32.23 31.72 2k4h h LYS 12 CO -0.16 1.14 0.62 0.00 -2.06 0.00 0.00 179.45 178.99 2k4h h ALA 13 N 0.78 1.67 0.56 3.86 0.00 -0.26 -2.00 119.26 123.88 2k4h h ALA 13 Ca 0.07 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2k4h h ALA 13 Cb 0.96 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2k4h h ALA 13 CO 0.09 -0.00 -0.41 0.22 0.00 0.00 0.00 179.25 179.15 2k4h h ASP 14 N 0.80 -1.06 -0.85 0.00 1.82 -1.40 0.18 116.42 115.91 2k4h h ASP 14 Ca 0.55 0.07 0.17 0.00 -0.39 0.00 0.00 57.03 57.43 2k4h h ASP 14 Cb 0.80 0.33 -0.06 0.00 0.68 0.00 0.00 39.33 41.07 2k4h h ASP 14 CO -0.33 -0.60 0.56 -0.33 -1.61 0.00 0.00 179.24 176.93 2k4h h GLU 15 N -0.94 0.46 0.05 0.28 5.08 -1.46 0.11 114.58 118.15 2k4h h GLU 15 Ca -0.07 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2k4h h GLU 15 Cb 0.79 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2k4h h GLU 15 CO 0.03 0.31 -0.02 1.25 -1.00 0.00 0.00 179.01 179.57 2k4h h LEU 16 N 0.48 -0.06 -0.24 1.33 7.12 -0.80 -2.20 115.31 120.94 2k4h h LEU 16 Ca 0.43 -0.36 0.00 0.00 0.13 0.00 0.00 57.88 58.09 2k4h h LEU 16 Cb 0.96 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 41.11 2k4h h LEU 16 CO -0.17 0.33 0.00 -0.62 -0.13 0.00 0.00 178.44 177.85 2k4h n GLU 17 N -4.94 0.06 0.05 1.25 -0.58 -0.00 -2.69 120.64 113.80 2k4h n GLU 17 Ca -0.08 0.32 -0.22 0.00 -0.42 0.00 0.00 57.16 56.75 2k4h n GLU 17 Cb 0.21 -1.62 -0.15 0.00 -0.57 0.00 0.00 31.44 29.32 2k4h n GLU 17 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 2k4h h ARG 18 N 0.00 0.34 -6.44 3.49 2.43 -0.57 -3.43 114.38 110.20 2k4h h ARG 18 Ca 0.00 -0.57 -0.62 0.00 -0.81 0.00 0.00 59.98 57.98 2k4h h ARG 18 Cb 0.28 0.21 0.08 0.00 -0.42 0.00 0.00 29.97 30.12 2k4h h ARG 18 CO 0.00 1.27 0.47 -0.89 -1.51 0.00 0.00 179.97 179.32 2k4h n ILE 19 N -3.83 0.72 -3.63 1.20 5.41 -0.85 -4.94 119.36 113.43 2k4h n ILE 19 Ca -0.22 -0.18 -0.36 0.00 1.00 0.00 0.00 62.75 62.99 2k4h n ILE 19 Cb 0.97 -1.15 -0.07 0.00 -0.71 0.00 0.00 39.64 38.68 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 -0.15 4.09 0.61 0.38 0.52 -1.07 -3.03 118.95 120.29 2k4h s ARG 20 Ca 0.73 0.01 0.31 0.00 -0.52 0.00 0.00 55.73 56.26 2k4h s ARG 20 Cb -0.77 -3.37 1.73 0.00 0.52 0.00 0.00 34.95 33.05 2k4h s ARG 20 CO 0.49 0.37 2.09 -0.07 0.02 0.00 0.00 175.30 178.20 2k4h h LEU 21 N 6.26 0.00 -8.70 2.53 3.38 -0.82 -1.51 115.31 116.45 2k4h h LEU 21 Ca -0.44 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.19 2k4h h LEU 21 Cb 1.17 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.78 2k4h h LEU 21 CO 0.72 0.00 -0.70 -0.13 0.09 0.00 0.00 178.44 178.42 2k4h s ARG 22 N -4.51 1.12 0.27 1.13 0.52 -1.26 -4.18 118.95 112.04 2k4h s ARG 22 Ca -0.04 -1.50 0.06 0.00 -0.52 0.00 0.00 55.73 53.72 2k4h s ARG 22 Cb 0.14 -0.64 0.38 0.00 0.52 0.00 0.00 34.95 35.36 2k4h s ARG 22 CO 0.50 0.05 1.66 -1.00 0.02 0.00 0.00 175.30 176.52 2k4h h PRO 23 N 2.71 0.25 0.00 3.54 0.13 -1.93 -3.26 132.00 133.44 2k4h h PRO 23 Ca -0.37 -0.13 -0.02 0.00 -0.87 0.00 0.00 66.00 64.61 2k4h h PRO 23 Cb 1.20 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 2k4h h PRO 23 CO 0.64 0.67 -0.37 0.41 -0.23 0.00 0.00 178.00 179.12 2k4h n GLY 24 N -0.05 4.06 3.13 1.56 0.00 -1.26 -5.01 105.19 107.62 2k4h n GLY 24 Ca -0.02 -1.05 -0.18 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.93 2.32 0.00 -0.02 0.00 -1.23 -5.05 105.19 100.28 2k4h n GLY 25 Ca 0.14 -2.24 0.00 0.00 0.00 0.00 0.00 46.02 43.92 2k4h n GLY 25 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2k4h n LYS 26 N -1.82 1.73 -3.12 1.61 2.85 -1.26 -4.85 118.16 113.30 2k4h n LYS 26 Ca 0.07 -1.14 -0.39 0.00 -1.05 0.00 0.00 58.31 55.80 2k4h n LYS 26 Cb 0.50 -0.94 -0.06 0.00 -0.65 0.00 0.00 35.03 33.87 2k4h n LYS 26 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 2k4h s LYS 27 N -0.66 4.38 0.21 -1.58 1.02 -1.26 -5.00 119.74 116.86 2k4h s LYS 27 Ca 0.00 0.90 0.10 0.00 0.02 0.00 0.00 55.97 56.99 2k4h s LYS 27 Cb 0.00 -3.30 -0.04 0.00 -0.52 0.00 0.00 37.83 33.96 2k4h s LYS 27 CO 0.00 0.46 -0.14 0.15 -0.92 0.00 0.00 175.35 174.91 2k4h s LYS 28 N -0.61 1.90 0.44 1.68 1.02 -1.26 -0.09 119.74 122.81 2k4h s LYS 28 Ca 0.33 -1.43 -0.25 0.00 0.02 0.00 0.00 55.97 54.64 2k4h s LYS 28 Cb -0.20 -2.02 -0.08 0.00 -0.52 0.00 0.00 37.83 35.01 2k4h s LYS 28 CO 0.21 0.40 1.33 0.71 -0.92 0.00 0.00 175.35 177.08 2k4h s TYR 29 N -1.90 2.67 0.15 3.18 2.02 -1.17 -4.82 117.35 117.48 2k4h s TYR 29 Ca 0.25 1.38 -0.07 0.00 -0.37 0.00 0.00 57.07 58.26 2k4h s TYR 29 Cb -0.08 -3.73 -0.02 0.00 -0.40 0.00 0.00 41.96 37.74 2k4h s TYR 29 CO 0.14 -2.36 0.21 0.50 -1.57 0.00 0.00 175.55 172.48 2k4h s ARG 30 N -2.40 1.07 0.44 -0.62 3.52 -1.26 -4.51 118.95 115.18 2k4h s ARG 30 Ca 0.60 -1.23 0.26 0.00 -0.13 0.00 0.00 55.73 55.23 2k4h s ARG 30 Cb -0.39 0.34 1.28 0.00 -1.56 0.00 0.00 34.95 34.62 2k4h s ARG 30 CO 0.50 -0.36 1.75 -0.07 -0.81 0.00 0.00 175.30 176.30 2k4h h LEU 31 N 2.65 0.29 -0.69 -0.88 4.07 -1.96 0.18 115.31 118.98 2k4h h LEU 31 Ca -0.33 0.07 0.13 0.00 0.08 0.00 0.00 57.88 57.83 2k4h h LEU 31 Cb 1.22 0.03 -0.09 0.00 1.08 0.00 0.00 40.66 42.90 2k4h h LEU 31 CO 0.52 0.01 0.23 0.50 -1.08 0.00 0.00 178.44 178.62 2k4h h LYS 32 N 0.23 0.37 -0.06 1.13 3.11 -1.99 0.52 116.57 119.88 2k4h h LYS 32 Ca 0.64 -0.02 -0.08 0.00 -2.81 0.00 0.00 60.65 58.38 2k4h h LYS 32 Cb 1.93 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 33.07 2k4h h LYS 32 CO -0.25 0.24 -0.31 0.45 -2.81 0.00 0.00 179.45 176.77 2k4h h HIS 33 N 0.38 0.13 -0.35 1.91 3.86 -1.04 -2.80 115.15 117.24 2k4h h HIS 33 Ca 0.37 -0.03 -0.12 0.00 -1.16 0.00 0.00 60.37 59.43 2k4h h HIS 33 Cb 0.55 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.97 2k4h h HIS 33 CO -0.20 0.42 -0.28 0.82 0.86 0.00 0.00 177.93 179.55 2k4h h ILE 34 N 0.10 1.28 0.18 2.45 2.04 -0.86 -3.00 117.51 119.69 2k4h h ILE 34 Ca 0.01 -1.41 -0.01 0.00 1.00 0.00 0.00 64.86 64.45 2k4h h ILE 34 Cb 0.61 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 2k4h h ILE 34 CO 0.04 0.46 -0.08 0.58 0.00 0.00 0.00 178.15 179.15 2k4h h VAL 35 N 0.63 0.92 -0.71 1.67 2.07 -1.14 -1.54 116.25 118.15 2k4h h VAL 35 Ca 0.08 -0.50 0.21 0.00 0.82 0.00 0.00 66.70 67.30 2k4h h VAL 35 Cb 0.80 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 2k4h h VAL 35 CO 0.07 0.11 0.53 -0.25 0.02 0.00 0.00 177.57 178.05 2k4h h TRP 36 N -0.48 0.00 0.02 1.57 7.01 -1.51 -1.45 115.95 121.10 2k4h h TRP 36 Ca -0.02 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 60.97 2k4h h TRP 36 Cb 0.37 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.43 2k4h h TRP 36 CO 0.01 0.00 -0.01 0.00 -2.79 0.00 0.00 178.44 175.65 2k4h h ALA 37 N 1.61 -0.02 -0.92 2.65 0.00 -1.35 -3.30 119.26 117.94 2k4h h ALA 37 Ca 0.34 -0.39 0.20 0.00 0.00 0.00 0.00 54.91 55.06 2k4h h ALA 37 Cb 1.39 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.11 2k4h h ALA 37 CO -0.00 -0.07 0.60 0.00 0.00 0.00 0.00 179.25 179.77 2k4h h ALA 38 N -0.01 2.13 -0.30 0.00 0.00 -0.29 0.24 119.26 121.03 2k4h h ALA 38 Ca -0.00 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2k4h h ALA 38 Cb 0.78 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2k4h h ALA 38 CO 0.00 -0.42 0.20 -0.97 0.00 0.00 0.00 179.25 178.06 2k4h h ASN 39 N 0.46 0.23 0.01 0.00 -0.73 -1.41 -2.50 115.58 111.64 2k4h h ASN 39 Ca 0.48 -0.00 -0.07 0.00 1.87 0.00 0.00 56.30 58.58 2k4h h ASN 39 Cb 1.13 -0.05 0.01 0.00 0.27 0.00 0.00 38.32 39.67 2k4h h ASN 39 CO -0.20 0.16 -0.26 0.11 -0.37 0.00 0.00 177.43 176.87 2k4h h LYS 40 N 0.27 0.17 -0.67 6.67 1.79 -0.63 -3.17 116.57 121.00 2k4h h LYS 40 Ca 0.12 -0.19 0.20 0.00 -2.18 0.00 0.00 60.65 58.60 2k4h h LYS 40 Cb 0.16 0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 30.84 2k4h h LYS 40 CO -0.03 0.94 0.57 -0.07 -1.08 0.00 0.00 179.45 179.79 2k4h h LEU 41 N -0.53 0.00 0.21 2.94 3.38 -1.09 -1.50 115.31 118.71 2k4h h LEU 41 Ca -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2k4h h LEU 41 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2k4h h LEU 41 CO 0.05 0.00 -0.10 0.44 0.09 0.00 0.00 178.44 178.92 2k4h h ASP 42 N 0.00 -0.24 -1.05 -0.43 3.32 -1.49 0.36 116.42 116.90 2k4h h ASP 42 Ca 0.32 -0.26 0.31 0.00 0.02 0.00 0.00 57.03 57.42 2k4h h ASP 42 Cb 1.46 0.06 -0.04 0.00 0.22 0.00 0.00 39.33 41.02 2k4h h ASP 42 CO -0.00 0.29 0.80 0.03 -1.72 0.00 0.00 179.24 178.64 2k4h h ARG 43 N -0.94 0.00 0.01 3.56 2.47 -1.26 -1.55 114.38 116.67 2k4h h ARG 43 Ca -0.03 0.00 -0.27 0.00 -1.26 0.00 0.00 59.98 58.42 2k4h h ARG 43 Cb 0.48 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.76 2k4h h ARG 43 CO 0.05 0.00 -1.48 1.19 0.56 0.00 0.00 179.97 180.29 2k4h n PHE 44 N -4.10 0.90 0.00 3.04 3.72 -0.97 -5.05 117.46 115.01 2k4h n PHE 44 Ca 0.22 0.37 0.00 0.00 -0.05 0.00 0.00 57.45 58.00 2k4h n PHE 44 Cb 1.15 -1.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 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 1.45 3.07 3.52 1.37 0.00 0.12 -5.11 105.19 109.61 2k4h n GLY 45 Ca -0.35 -0.42 -0.56 0.00 0.00 0.00 0.00 46.02 44.68 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 0.37 -4.77 0.99 4.77 -0.54 -4.73 117.00 113.09 2k4h n LEU 46 Ca 0.00 1.15 -0.39 0.00 -0.03 0.00 0.00 56.01 56.74 2k4h n LEU 46 Cb 0.00 -1.00 -0.03 0.00 -2.33 0.00 0.00 43.42 40.06 2k4h n LEU 46 CO 0.00 -1.75 0.82 0.00 -1.33 0.00 0.00 177.39 175.13 2k4h s ALA 47 N 0.04 3.27 0.12 -1.18 0.00 -1.26 -3.77 121.76 118.98 2k4h s ALA 47 Ca 0.87 0.94 0.31 0.00 0.00 0.00 0.00 51.96 54.08 2k4h s ALA 47 Cb -1.16 -3.36 1.26 0.00 0.00 0.00 0.00 23.12 19.87 2k4h s ALA 47 CO 0.54 -0.37 1.95 1.05 0.00 0.00 0.00 175.76 178.94 2k4h h GLU 48 N 3.11 0.00 0.00 0.00 4.11 -1.89 -2.61 114.58 117.30 2k4h h GLU 48 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 2k4h h GLU 48 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2k4h h GLU 48 CO 0.64 0.06 0.00 0.43 0.07 0.00 0.00 179.01 180.21 2k4h n SER 49 N -3.19 0.19 -0.24 3.06 7.64 -1.26 -1.47 113.62 118.36 2k4h n SER 49 Ca 0.00 0.56 0.09 0.00 1.01 0.00 0.00 58.87 60.54 2k4h n SER 49 Cb 0.33 -0.60 0.43 0.00 -1.01 0.00 0.00 64.21 63.37 2k4h n SER 49 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2k4h n LEU 50 N -1.73 0.71 -0.25 -3.43 4.77 -0.98 -3.46 117.00 112.64 2k4h n LEU 50 Ca 0.02 -0.30 0.14 0.00 -0.03 0.00 0.00 56.01 55.83 2k4h n LEU 50 Cb 0.12 -0.05 0.68 0.00 -2.33 0.00 0.00 43.42 41.84 2k4h n LEU 50 CO 0.10 0.15 0.95 0.18 -1.33 0.00 0.00 177.39 177.45 2k4h n LEU 51 N -0.30 0.76 -1.55 2.23 4.77 -0.54 -2.67 117.00 119.71 2k4h n LEU 51 Ca 0.14 -0.27 -0.12 0.00 -0.03 0.00 0.00 56.01 55.73 2k4h n LEU 51 Cb 0.17 -0.01 0.18 0.00 -2.33 0.00 0.00 43.42 41.43 2k4h n LEU 51 CO 0.11 0.13 0.87 -1.84 -1.33 0.00 0.00 177.39 175.33 2k4h n GLU 52 N -0.38 2.06 -3.82 3.23 0.28 -1.22 -4.99 120.64 115.79 2k4h n GLU 52 Ca 0.20 -3.20 -0.06 0.00 -0.16 0.00 0.00 57.16 53.94 2k4h n GLU 52 Cb 0.22 -1.96 0.00 0.00 1.43 0.00 0.00 31.44 31.14 2k4h n GLU 52 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 2k4h s SER 53 N -2.23 -0.11 -0.22 -1.84 1.04 -1.23 -5.08 113.70 104.03 2k4h s SER 53 Ca 0.49 -0.75 -0.12 0.00 0.48 0.00 0.00 55.95 56.06 2k4h s SER 53 Cb 0.43 0.68 -0.19 0.00 0.10 0.00 0.00 66.02 67.05 2k4h s SER 53 CO 0.03 -1.30 0.02 2.29 0.98 0.00 0.00 173.24 175.25 2k4h n LYS 54 N -0.52 0.64 -0.34 4.02 2.85 -1.26 -3.55 118.16 119.99 2k4h n LYS 54 Ca -0.06 0.34 -0.01 0.00 -1.05 0.00 0.00 58.31 57.53 2k4h n LYS 54 Cb 0.60 -1.63 0.12 0.00 -0.65 0.00 0.00 35.03 33.47 2k4h n LYS 54 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 2k4h h GLU 55 N -0.55 1.13 -0.18 -1.58 4.22 -1.97 0.20 114.58 115.84 2k4h h GLU 55 Ca -0.51 -0.07 -0.07 0.00 0.08 0.00 0.00 59.36 58.80 2k4h h GLU 55 Cb 1.68 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 30.67 2k4h h GLU 55 CO -0.17 0.74 -0.14 0.78 -2.18 0.00 0.00 179.01 178.04 2k4h h GLY 56 N 1.16 0.46 1.72 1.92 0.00 -1.77 -3.15 103.07 103.42 2k4h h GLY 56 Ca 0.36 -0.45 -0.09 0.00 0.00 0.00 0.00 47.33 47.16 2k4h h GLY 56 CO -0.12 0.41 -0.27 0.00 0.00 0.00 0.00 176.54 176.56 2k4h h GLN 58 N 0.29 0.73 0.00 0.00 4.15 -0.56 0.25 115.11 119.97 2k4h h GLN 58 Ca 0.04 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2k4h h GLN 58 Cb 0.63 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.16 2k4h h GLN 58 CO 0.05 0.48 0.00 0.87 -1.93 0.00 0.00 178.83 178.30 2k4h h LYS 59 N 0.75 0.00 0.07 1.69 1.57 -1.51 -2.67 116.57 116.47 2k4h h LYS 59 Ca 0.41 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.93 2k4h h LYS 59 Cb 0.55 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.88 2k4h h LYS 59 CO -0.17 0.00 -1.05 0.82 -0.57 0.00 0.00 179.45 178.47 2k4h h ILE 60 N 0.00 1.32 -0.73 1.86 2.04 -0.59 -2.99 117.51 118.42 2k4h h ILE 60 Ca 0.00 -2.35 -0.02 0.00 1.00 0.00 0.00 64.86 63.49 2k4h h ILE 60 Cb 0.32 2.65 -0.03 0.00 -0.74 0.00 0.00 36.82 39.01 2k4h h ILE 60 CO 0.00 0.71 0.37 -0.07 0.00 0.00 0.00 178.15 179.16 2k4h h LEU 61 N 0.18 0.94 -1.36 1.44 3.38 -1.31 0.92 115.31 119.50 2k4h h LEU 61 Ca -0.15 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 2k4h h LEU 61 Cb 1.74 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.24 2k4h h LEU 61 CO 0.20 0.79 -0.32 0.00 0.09 0.00 0.00 178.44 179.20 2k4h h THR 62 N 1.02 1.19 0.18 0.22 1.03 -1.61 0.32 112.91 115.26 2k4h h THR 62 Ca 0.25 -1.12 -0.25 0.00 -0.01 0.00 0.00 66.41 65.29 2k4h h THR 62 Cb 0.09 1.61 0.03 0.00 -1.07 0.00 0.00 68.15 68.81 2k4h h THR 62 CO -0.04 0.32 -1.08 0.58 -0.01 0.00 0.00 175.52 175.29 2k4h h VAL 63 N 0.00 1.41 0.00 0.00 2.07 -1.24 -3.30 116.25 115.19 2k4h h VAL 63 Ca -0.00 -2.57 -0.03 0.00 0.82 0.00 0.00 66.70 64.92 2k4h h VAL 63 Cb 0.58 3.09 -0.00 0.00 -1.52 0.00 0.00 31.29 33.44 2k4h h VAL 63 CO 0.04 0.75 -0.12 -0.07 0.02 0.00 0.00 177.57 178.19 2k4h h LEU 64 N -0.13 0.00 0.12 2.57 3.38 -0.72 -3.26 115.31 117.27 2k4h h LEU 64 Ca -0.19 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.79 2k4h h LEU 64 Cb 1.84 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.55 2k4h h LEU 64 CO 0.20 0.12 -0.45 0.44 0.09 0.00 0.00 178.44 178.84 2k4h h ASP 65 N 0.00 -1.36 0.87 -0.43 3.32 -0.43 -1.44 116.42 116.94 2k4h h ASP 65 Ca -0.00 0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2k4h h ASP 65 Cb 0.97 0.50 0.00 0.00 0.22 0.00 0.00 39.33 41.02 2k4h h ASP 65 CO 0.02 -0.48 0.00 1.55 -1.72 0.00 0.00 179.24 178.60 2k4h h PRO 66 N -0.66 0.00 0.00 3.56 0.13 -1.71 -2.56 132.00 130.76 2k4h h PRO 66 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2k4h h PRO 66 Cb 0.66 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.79 2k4h h PRO 66 CO -0.24 0.00 0.00 0.52 -0.23 0.00 0.00 178.00 178.05 2k4h h MET 67 N 0.00 0.00 0.83 0.86 2.86 -1.33 -3.18 114.93 114.97 2k4h h MET 67 Ca 0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 2k4h h MET 67 Cb 0.43 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.10 2k4h h MET 67 CO 0.00 0.00 -0.40 0.28 1.06 0.00 0.00 176.91 177.85 2k4h h VAL 68 N 0.00 0.01 0.00 -2.22 2.07 -0.91 -0.67 116.25 114.53 2k4h h VAL 68 Ca 0.00 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.34 2k4h h VAL 68 Cb 0.73 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 2k4h h VAL 68 CO 0.00 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 176.78 2k4h n PRO 69 N -5.51 0.16 -3.10 1.57 -0.04 -1.24 -3.45 135.00 123.38 2k4h n PRO 69 Ca -0.14 0.17 -0.16 0.00 -0.04 0.00 0.00 63.50 63.33 2k4h n PRO 69 Cb 0.44 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.38 2k4h n PRO 69 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2k4h n THR 70 N -1.34 -0.03 -2.81 0.52 -2.24 -1.11 -5.11 114.28 102.17 2k4h n THR 70 Ca 0.06 -4.22 0.00 0.00 -2.27 0.00 0.00 64.05 57.62 2k4h n THR 70 Cb 0.13 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 2k4h n THR 70 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k4h n GLY 71 N 0.24 2.45 0.42 3.38 0.00 -0.28 -4.72 105.19 106.69 2k4h n GLY 71 Ca 0.22 -1.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.84 0.70 0.11 1.61 3.41 -1.26 -5.01 113.62 112.34 2k4h n SER 72 Ca 0.00 -1.19 -0.04 0.00 -0.26 0.00 0.00 58.87 57.38 2k4h n SER 72 Cb 0.00 -0.03 0.09 0.00 -0.26 0.00 0.00 64.21 64.01 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 0.07 0.66 4.33 4.39 -1.99 -3.14 114.58 118.91 2k4h h GLU 73 Ca -0.03 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.57 2k4h h GLU 73 Cb 0.14 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.80 2k4h h GLU 73 CO 0.05 0.75 -0.40 -0.97 -1.16 0.00 0.00 179.01 177.29 2k4h h ASN 74 N 0.05 -1.00 -0.76 1.42 -1.24 -2.01 -2.81 115.58 109.23 2k4h h ASN 74 Ca -0.01 0.06 0.10 0.00 0.71 0.00 0.00 56.30 57.16 2k4h h ASN 74 Cb 1.26 0.29 -0.08 0.00 0.73 0.00 0.00 38.32 40.53 2k4h h ASN 74 CO 0.10 -0.63 0.39 0.25 -1.29 0.00 0.00 177.43 176.25 2k4h h LEU 75 N -1.00 0.50 -1.84 0.34 6.46 -1.97 0.26 115.31 118.06 2k4h h LEU 75 Ca -0.08 0.07 0.27 0.00 -0.12 0.00 0.00 57.88 58.01 2k4h h LEU 75 Cb 0.80 -0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 40.67 2k4h h LEU 75 CO 0.09 0.27 0.68 0.11 -0.62 0.00 0.00 178.44 178.97 2k4h h LYS 76 N 0.63 0.11 -0.16 1.25 1.57 -1.45 0.31 116.57 118.83 2k4h h LYS 76 Ca 0.38 -0.01 -0.20 0.00 -1.87 0.00 0.00 60.65 58.96 2k4h h LYS 76 Cb 0.43 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.71 2k4h h LYS 76 CO -0.29 0.07 -0.69 0.77 -0.57 0.00 0.00 179.45 178.75 2k4h h SER 77 N 0.11 0.76 -0.22 0.86 0.02 -0.72 -3.20 113.55 111.16 2k4h h SER 77 Ca 0.48 -0.47 -0.06 0.00 -0.84 0.00 0.00 61.79 60.91 2k4h h SER 77 Cb 1.70 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 64.01 2k4h h SER 77 CO -0.07 1.23 -0.08 0.25 -1.14 0.00 0.00 176.83 177.02 2k4h h LEU 78 N 0.46 0.45 -1.41 5.07 5.85 -0.34 -2.59 115.31 122.80 2k4h h LEU 78 Ca -0.03 -0.39 0.23 0.00 0.84 0.00 0.00 57.88 58.53 2k4h h LEU 78 Cb 1.28 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 42.11 2k4h h LEU 78 CO 0.13 0.74 0.64 0.15 -0.34 0.00 0.00 178.44 179.76 2k4h h PHE 79 N 0.16 0.63 -0.01 1.25 3.57 -1.27 0.35 116.94 121.61 2k4h h PHE 79 Ca 0.05 0.02 -0.24 0.00 3.53 0.00 0.00 57.97 61.33 2k4h h PHE 79 Cb 0.56 -0.19 0.01 0.00 2.79 0.00 0.00 35.95 39.12 2k4h h PHE 79 CO 0.06 0.12 -0.96 -0.91 -2.23 0.00 0.00 178.31 174.39 2k4h h ASN 80 N 0.43 0.70 -0.35 0.41 4.21 -1.52 -3.17 115.58 116.29 2k4h h ASN 80 Ca 0.53 -0.55 -0.15 0.00 1.21 0.00 0.00 56.30 57.34 2k4h h ASN 80 Cb 1.31 -0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 38.29 2k4h h ASN 80 CO -0.24 1.34 -0.38 0.74 -1.29 0.00 0.00 177.43 177.61 2k4h h THR 81 N 0.31 1.27 0.00 2.81 2.02 -0.34 -2.89 112.91 116.10 2k4h h THR 81 Ca -0.09 -1.55 -0.01 0.00 0.77 0.00 0.00 66.41 65.53 2k4h h THR 81 Cb 1.60 1.38 -0.00 0.00 -1.74 0.00 0.00 68.15 69.38 2k4h h THR 81 CO 0.18 0.52 -0.05 0.58 0.37 0.00 0.00 175.52 177.12 2k4h h VAL 82 N 0.74 0.74 -0.20 3.16 2.07 -0.52 -1.61 116.25 120.63 2k4h h VAL 82 Ca 0.06 -0.18 -0.14 0.00 0.82 0.00 0.00 66.70 67.26 2k4h h VAL 82 Cb 0.96 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 2k4h h VAL 82 CO 0.09 0.05 -0.46 0.00 0.02 0.00 0.00 177.57 177.27 2k4h h VAL 84 N 0.41 1.29 0.81 0.00 2.07 -1.32 -2.91 116.25 116.60 2k4h h VAL 84 Ca 0.03 -1.88 -0.04 0.00 0.82 0.00 0.00 66.70 65.62 2k4h h VAL 84 Cb 0.96 1.94 0.01 0.00 -1.52 0.00 0.00 31.29 32.68 2k4h h VAL 84 CO 0.08 0.60 -0.39 0.40 0.02 0.00 0.00 177.57 178.28 2k4h h ILE 85 N 0.49 0.00 -0.90 4.57 1.08 -1.42 -2.62 117.51 118.71 2k4h h ILE 85 Ca -0.03 -0.05 0.22 0.00 -0.39 0.00 0.00 64.86 64.60 2k4h h ILE 85 Cb 1.30 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 34.93 2k4h h ILE 85 CO 0.14 0.00 0.42 -0.25 -0.69 0.00 0.00 178.15 177.77 2k4h h TRP 86 N -1.14 0.69 0.09 1.37 7.01 -1.58 -1.15 115.95 121.25 2k4h h TRP 86 Ca -0.11 0.04 0.02 0.00 2.11 0.00 0.00 58.89 60.95 2k4h h TRP 86 Cb 0.83 -0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 27.68 2k4h h TRP 86 CO 0.03 -0.02 -0.35 0.00 -2.79 0.00 0.00 178.44 175.31 2k4h h ILE 88 N -0.56 0.51 0.01 0.00 2.04 -0.83 0.40 117.51 119.08 2k4h h ILE 88 Ca 0.04 -0.13 -0.19 0.00 1.00 0.00 0.00 64.86 65.57 2k4h h ILE 88 Cb 0.60 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 2k4h h ILE 88 CO -0.23 0.07 -0.89 0.45 0.00 0.00 0.00 178.15 177.56 2k4h h HIS 89 N 0.39 0.10 -0.30 1.37 3.86 -0.97 -3.13 115.15 116.46 2k4h h HIS 89 Ca 0.60 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.75 2k4h h HIS 89 Cb 1.53 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.99 2k4h h HIS 89 CO -0.00 0.92 0.00 0.00 0.86 0.00 0.00 177.93 179.70 2k4h n ALA 90 N -2.41 2.84 -0.97 2.45 0.00 0.12 -4.78 120.51 117.76 2k4h n ALA 90 Ca -0.02 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.66 2k4h n ALA 90 Cb 0.83 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 19.26 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 0.38 -1.03 -2.68 0.00 -0.58 -0.72 -4.96 120.64 111.05 2k4h n GLU 91 Ca 0.12 0.26 -0.41 0.00 -0.42 0.00 0.00 57.16 56.71 2k4h n GLU 91 Cb 0.52 -4.10 -0.05 0.00 -0.57 0.00 0.00 31.44 27.23 2k4h n GLU 91 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2k4h s GLU 92 N -1.10 4.72 -0.09 3.49 0.41 0.03 -4.97 118.70 121.19 2k4h s GLU 92 Ca 0.00 1.54 0.03 0.00 -0.41 0.00 0.00 54.97 56.13 2k4h s GLU 92 Cb 0.00 -3.32 -0.01 0.00 -1.78 0.00 0.00 34.13 29.02 2k4h s GLU 92 CO 0.00 0.28 -0.19 0.15 -0.49 0.00 0.00 175.26 175.00 2k4h s LYS 93 N -0.51 2.92 -0.04 1.61 1.02 -1.26 -3.69 119.74 119.79 2k4h s LYS 93 Ca 0.46 -0.80 0.03 0.00 0.02 0.00 0.00 55.97 55.67 2k4h s LYS 93 Cb -0.26 -2.37 0.01 0.00 -0.52 0.00 0.00 37.83 34.68 2k4h s LYS 93 CO 0.32 0.32 -0.11 0.14 -0.92 0.00 0.00 175.35 175.10 2k4h s VAL 94 N 0.02 0.99 0.02 3.17 -7.23 -1.26 -5.01 120.40 111.10 2k4h s VAL 94 Ca -0.07 -0.45 -0.25 0.00 -1.81 0.00 0.00 61.98 59.40 2k4h s VAL 94 Cb -0.15 -0.88 -0.18 0.00 0.56 0.00 0.00 36.38 35.73 2k4h s VAL 94 CO 0.05 0.31 1.45 0.11 -0.31 0.00 0.00 175.10 176.70 2k4h h LYS 95 N 6.56 -0.05 -4.96 4.82 1.57 -1.96 -3.44 116.57 119.11 2k4h h LYS 95 Ca -0.33 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.14 2k4h h LYS 95 Cb 1.17 0.01 -0.17 0.00 0.08 0.00 0.00 32.23 33.32 2k4h h LYS 95 CO 0.48 0.23 -0.73 0.16 -0.57 0.00 0.00 179.45 179.02 2k4h s ASP 96 N -5.42 1.46 0.43 0.86 1.47 -1.26 -2.61 116.67 111.60 2k4h s ASP 96 Ca -0.15 -0.83 0.26 0.00 1.18 0.00 0.00 52.55 53.01 2k4h s ASP 96 Cb 0.03 0.01 1.31 0.00 -0.34 0.00 0.00 42.92 43.94 2k4h s ASP 96 CO 0.66 -0.27 1.69 0.74 0.68 0.00 0.00 175.17 178.66 2k4h h THR 97 N 3.49 0.29 0.04 2.11 2.02 -1.43 0.12 112.91 119.54 2k4h h THR 97 Ca -0.37 -0.07 0.02 0.00 0.77 0.00 0.00 66.41 66.76 2k4h h THR 97 Cb 1.19 0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 2k4h h THR 97 CO 0.54 0.04 -0.21 -0.33 0.37 0.00 0.00 175.52 175.93 2k4h h GLU 98 N 0.20 -0.35 0.00 6.66 5.08 -1.86 -1.54 114.58 122.77 2k4h h GLU 98 Ca 0.72 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 59.10 2k4h h GLU 98 Cb 2.16 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 31.49 2k4h h GLU 98 CO -0.34 -0.23 -0.00 0.78 -1.00 0.00 0.00 179.01 178.22 2k4h h GLY 99 N -0.36 0.00 1.23 -3.84 0.00 -1.18 -1.90 103.07 97.02 2k4h h GLY 99 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.30 2k4h h GLY 99 CO -0.17 0.00 0.04 0.00 0.00 0.00 0.00 176.54 176.41 2k4h h ALA 100 N 2.00 1.00 0.00 3.60 0.00 -1.01 -0.70 119.26 124.15 2k4h h ALA 100 Ca -0.00 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 2k4h h ALA 100 Cb 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2k4h h ALA 100 CO 0.00 0.62 -0.20 -0.22 0.00 0.00 0.00 179.25 179.45 2k4h h LYS 101 N 0.88 0.00 0.00 0.00 3.64 -0.88 -2.49 116.57 117.72 2k4h h LYS 101 Ca 0.17 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.53 2k4h h LYS 101 Cb 0.46 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2k4h h LYS 101 CO 0.02 0.20 -0.17 1.96 -2.27 0.00 0.00 179.45 179.18 2k4h h GLN 102 N 0.00 0.00 -0.37 1.90 4.20 -1.24 -2.69 115.11 116.90 2k4h h GLN 102 Ca -0.00 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.78 2k4h h GLN 102 Cb 0.69 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.39 2k4h h GLN 102 CO 0.03 0.30 -0.12 0.82 -0.67 0.00 0.00 178.83 179.19 2k4h h ILE 103 N -1.00 0.58 -0.20 2.54 2.04 -1.20 -0.44 117.51 119.82 2k4h h ILE 103 Ca -0.03 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 2k4h h ILE 103 Cb 0.41 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 2k4h h ILE 103 CO -0.02 0.00 0.09 0.58 0.00 0.00 0.00 178.15 178.80 2k4h h VAL 104 N -0.03 1.15 -0.34 1.67 2.07 -1.62 -2.76 116.25 116.39 2k4h h VAL 104 Ca 0.18 -0.44 0.07 0.00 0.82 0.00 0.00 66.70 67.33 2k4h h VAL 104 Cb 0.31 1.07 -0.07 0.00 -1.52 0.00 0.00 31.29 31.07 2k4h h VAL 104 CO -0.40 0.15 -0.15 -0.09 0.02 0.00 0.00 177.57 177.09 2k4h h ARG 105 N 0.19 -0.09 -0.95 1.57 1.12 -1.05 -0.21 114.38 114.95 2k4h h ARG 105 Ca 0.07 0.01 0.12 0.00 -1.11 0.00 0.00 59.98 59.07 2k4h h ARG 105 Cb 0.15 0.02 -0.08 0.00 -0.01 0.00 0.00 29.97 30.05 2k4h h ARG 105 CO -0.01 -0.06 0.61 -0.09 -3.11 0.00 0.00 179.97 177.31 2k4h h ARG 106 N -0.09 0.86 -0.39 0.20 2.43 -1.00 -1.09 114.38 115.30 2k4h h ARG 106 Ca 0.17 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 59.15 2k4h h ARG 106 Cb 0.35 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 2k4h h ARG 106 CO -0.40 0.57 -0.29 0.45 -1.51 0.00 0.00 179.97 178.79 2k4h h HIS 107 N 0.89 1.05 -0.37 2.20 3.86 -0.81 -2.45 115.15 119.51 2k4h h HIS 107 Ca 0.47 -0.29 -0.04 0.00 -1.16 0.00 0.00 60.37 59.36 2k4h h HIS 107 Cb 0.55 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.78 2k4h h HIS 107 CO -0.00 1.09 0.09 -0.07 0.86 0.00 0.00 177.93 179.90 2k4h h LEU 108 N 0.70 0.57 -1.05 2.43 3.38 -0.08 -2.75 115.31 118.51 2k4h h LEU 108 Ca 0.07 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.83 2k4h h LEU 108 Cb 0.87 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.42 2k4h h LEU 108 CO 0.08 0.66 0.64 0.58 0.09 0.00 0.00 178.44 180.49 2k4h h VAL 109 N 0.46 1.21 -0.20 1.22 2.07 -1.24 -1.24 116.25 118.53 2k4h h VAL 109 Ca 0.12 -0.44 0.01 0.00 0.82 0.00 0.00 66.70 67.20 2k4h h VAL 109 Cb 0.31 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 2k4h h VAL 109 CO 0.00 0.23 0.12 0.00 0.02 0.00 0.00 177.57 177.95 2k4h h ALA 110 N 1.41 0.25 -0.42 1.67 0.00 -1.23 -1.65 119.26 119.28 2k4h h ALA 110 Ca 0.37 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 2k4h h ALA 110 Cb -0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2k4h h ALA 110 CO -0.10 -0.29 0.15 1.49 0.00 0.00 0.00 179.25 180.51 2k4h h GLU 111 N 0.25 0.64 -0.01 0.00 4.81 -1.18 -2.34 114.58 116.75 2k4h h GLU 111 Ca 0.08 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2k4h h GLU 111 Cb -0.01 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 2k4h h GLU 111 CO -0.03 0.61 0.01 1.15 -0.73 0.00 0.00 179.01 180.02 2k4h h THR 112 N 0.53 0.59 -0.74 0.32 2.02 -1.01 -1.07 112.91 113.55 2k4h h THR 112 Ca 0.14 0.00 -0.35 0.00 0.77 0.00 0.00 66.41 66.97 2k4h h THR 112 Cb 0.22 0.99 -0.21 0.00 -1.74 0.00 0.00 68.15 67.41 2k4h h THR 112 CO -0.01 0.00 0.44 0.61 0.37 0.00 0.00 175.52 176.93 2k4h n GLY 113 N -1.36 3.79 2.29 2.16 0.00 -0.64 -4.23 105.19 107.19 2k4h n GLY 113 Ca -0.03 -0.85 -0.02 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.60 0.00 -1.10 2.61 5.66 -0.42 -4.98 114.28 115.45 2k4h n THR 114 Ca 0.44 -0.67 -0.13 0.00 -3.05 0.00 0.00 64.05 60.63 2k4h n THR 114 Cb 1.37 0.75 0.25 0.00 -1.55 0.00 0.00 70.33 71.16 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 -0.70 5.00 -1.54 1.79 0.00 -1.14 -4.32 120.51 119.61 2k4h n ALA 115 Ca -0.12 -2.54 -0.03 0.00 0.00 0.00 0.00 53.44 50.75 2k4h n ALA 115 Cb 0.70 -1.34 0.19 0.00 0.00 0.00 0.00 19.45 19.00 2k4h n ALA 115 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2k4h n GLU 116 N -0.54 1.89 0.19 0.00 2.13 -1.26 -4.66 120.64 118.40 2k4h n GLU 116 Ca 0.49 -3.30 0.06 0.00 0.66 0.00 0.00 57.16 55.07 2k4h n GLU 116 Cb 1.51 -1.80 0.35 0.00 0.27 0.00 0.00 31.44 31.77 2k4h n GLU 116 CO 0.00 0.00 0.00 1.57 -0.41 0.00 0.00 177.13 178.29 2k4h h LYS 117 N 1.09 0.00 -6.73 5.31 2.10 -2.01 -3.45 116.57 112.88 2k4h h LYS 117 Ca 0.18 0.00 -0.57 0.00 -2.00 0.00 0.00 60.65 58.26 2k4h h LYS 117 Cb 1.45 0.00 0.16 0.00 -0.90 0.00 0.00 32.23 32.94 2k4h h LYS 117 CO 0.33 0.37 0.06 -1.33 -2.00 0.00 0.00 179.45 176.88 2k4h n MET 118 N -3.57 0.97 -0.56 0.07 2.81 -1.26 -4.99 117.12 110.59 2k4h n MET 118 Ca -0.00 0.37 -0.16 0.00 -1.81 0.00 0.00 57.70 56.09 2k4h n MET 118 Cb 0.49 -2.07 0.14 0.00 -0.71 0.00 0.00 33.22 31.07 2k4h n MET 118 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 2k4h n PRO 119 N -0.54 -2.17 -0.70 0.03 -0.04 -1.26 -5.03 135.00 125.28 2k4h n PRO 119 Ca 0.12 -0.94 -0.30 0.00 -0.04 0.00 0.00 63.50 62.34 2k4h n PRO 119 Cb 0.45 -0.88 0.26 0.00 -0.04 0.00 0.00 33.50 33.29 2k4h n PRO 119 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2k4h s SER 120 N -3.10 -0.06 -0.01 3.54 0.15 -1.26 -5.01 113.70 107.96 2k4h s SER 120 Ca 0.38 0.80 0.25 0.00 0.70 0.00 0.00 55.95 58.09 2k4h s SER 120 Cb -0.04 -1.15 0.43 0.00 -1.71 0.00 0.00 66.02 63.55 2k4h s SER 120 CO 0.29 -4.74 1.17 0.35 1.20 0.00 0.00 173.24 171.51 2k4h n THR 121 N -5.20 0.15 -2.64 6.45 -2.24 -1.26 -4.84 114.28 104.69 2k4h n THR 121 Ca 0.12 -1.14 -0.04 0.00 -2.27 0.00 0.00 64.05 60.71 2k4h n THR 121 Cb 0.59 0.92 0.04 0.00 -2.10 0.00 0.00 70.33 69.78 2k4h n THR 121 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2k4h n SER 122 N 0.39 2.19 -3.19 3.42 7.64 -1.26 -4.91 113.62 117.91 2k4h n SER 122 Ca 0.07 -2.39 -0.21 0.00 1.01 0.00 0.00 58.87 57.36 2k4h n SER 122 Cb 1.12 -0.44 -0.05 0.00 -1.01 0.00 0.00 64.21 63.83 2k4h n SER 122 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2k4h n ARG 123 N -0.56 0.88 -2.09 1.43 3.00 -1.26 -5.09 116.66 112.96 2k4h n ARG 123 Ca 0.14 -3.33 -0.43 0.00 -0.00 0.00 0.00 57.85 54.24 2k4h n ARG 123 Cb 0.85 -1.50 -0.03 0.00 0.00 0.00 0.00 32.46 31.78 2k4h n ARG 123 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2k4h s PRO 124 N -1.90 3.43 0.44 -0.14 0.04 -1.26 -4.99 135.00 130.61 2k4h s PRO 124 Ca 0.38 1.33 -0.18 0.00 0.04 0.00 0.00 61.00 62.57 2k4h s PRO 124 Cb 0.27 -4.14 -0.09 0.00 0.04 0.00 0.00 34.50 30.57 2k4h s PRO 124 CO -0.09 -1.74 0.92 0.95 0.04 0.00 0.00 177.00 177.08 2k4h s THR 125 N 6.41 4.50 0.47 1.26 -4.23 -1.26 -5.02 115.64 117.76 2k4h s THR 125 Ca 0.75 1.28 -0.24 0.00 -1.18 0.00 0.00 61.69 62.30 2k4h s THR 125 Cb -0.21 -3.65 -0.07 0.00 1.34 0.00 0.00 72.50 69.92 2k4h s THR 125 CO 0.33 -0.44 1.29 0.00 -0.54 0.00 0.00 174.62 175.27 2k4h s ALA 126 N -2.31 3.03 1.08 3.99 0.00 -1.26 -5.02 121.76 121.27 2k4h s ALA 126 Ca 0.59 1.20 -0.07 0.00 0.00 0.00 0.00 51.96 53.69 2k4h s ALA 126 Cb -0.10 -3.49 0.10 0.00 0.00 0.00 0.00 23.12 19.63 2k4h s ALA 126 CO 0.21 -0.99 0.35 -0.35 0.00 0.00 0.00 175.76 174.97 2k4h n PRO 127 N -0.46 -1.70 -3.11 0.00 -0.04 -1.26 -5.08 135.00 123.35 2k4h n PRO 127 Ca 0.07 -0.56 0.03 0.00 -0.04 0.00 0.00 63.50 63.00 2k4h n PRO 127 Cb 0.45 -0.52 -0.00 0.00 -0.04 0.00 0.00 33.50 33.39 2k4h n PRO 127 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2k4h s SER 128 N -2.45 -1.19 0.25 3.54 1.04 -1.26 -5.14 113.70 108.49 2k4h s SER 128 Ca 0.23 -0.25 -0.31 0.00 0.48 0.00 0.00 55.95 56.10 2k4h s SER 128 Cb -0.02 1.62 -0.12 0.00 0.10 0.00 0.00 66.02 67.59 2k4h s SER 128 CO 0.17 -0.17 1.61 -0.24 0.98 0.00 0.00 173.24 175.59 2k4h n SER 129 N 4.71 3.68 -4.21 7.02 2.88 -1.26 -5.00 113.62 121.45 2k4h n SER 129 Ca 0.08 1.11 -0.28 0.00 -1.33 0.00 0.00 58.87 58.45 2k4h n SER 129 Cb 0.57 -1.55 -0.07 0.00 -0.75 0.00 0.00 64.21 62.41 2k4h n SER 129 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 2k4h s GLU 130 N 0.14 2.06 0.00 -1.46 -1.05 -1.26 -5.12 118.70 112.02 2k4h s GLU 130 Ca 0.69 -2.29 0.00 0.00 -0.15 0.00 0.00 54.97 53.22 2k4h s GLU 130 Cb -0.54 -0.79 0.00 0.00 -0.44 0.00 0.00 34.13 32.36 2k4h s GLU 130 CO 0.43 -0.51 0.00 1.63 0.95 0.00 0.00 175.26 177.76 2k4h n LYS 131 N -1.05 0.00 0.00 -4.83 4.76 -1.26 -5.04 118.16 110.73 2k4h n LYS 131 Ca -0.10 0.23 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 2k4h n LYS 131 Cb 0.65 -0.68 0.00 0.00 -1.84 0.00 0.00 35.03 33.16 2k4h n LYS 131 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k4h n GLY 132 N 1.94 1.10 0.00 0.72 0.00 -1.26 -4.73 105.19 102.97 2k4h n GLY 132 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 2k4h n GLY 132 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4h n GLY 133 N 0.00 1.84 1.88 -0.02 0.00 -1.26 -5.08 105.19 102.56 2k4h n GLY 133 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2k4h n GLY 133 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2k4h n ASN 134 N 0.00 -0.03 0.00 1.61 3.02 -1.26 -5.28 115.26 113.32 2k4h n ASN 134 Ca 0.00 0.46 0.00 0.00 -0.03 0.00 0.00 54.58 55.01 2k4h n ASN 134 Cb 0.00 0.33 0.00 0.00 -0.61 0.00 0.00 39.78 39.50 2k4h n ASN 134 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42