#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4h s ALA 3 N 0.00 4.10 -0.52 4.61 0.00 -1.26 -5.00 121.76 123.69 2k4h s ALA 3 Ca 0.00 -1.52 -0.28 0.00 0.00 0.00 0.00 51.96 50.17 2k4h s ALA 3 Cb 0.00 -1.51 -0.09 0.00 0.00 0.00 0.00 23.12 21.52 2k4h s ALA 3 CO 0.00 -0.01 2.42 0.54 0.00 0.00 0.00 175.76 178.71 2k4h n ARG 4 N -1.55 1.01 -4.41 0.00 1.74 -1.26 -4.92 116.66 107.28 2k4h n ARG 4 Ca -0.01 0.07 -0.25 0.00 -0.77 0.00 0.00 57.85 56.90 2k4h n ARG 4 Cb 0.59 -3.10 -0.09 0.00 -1.02 0.00 0.00 32.46 28.83 2k4h n ARG 4 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2k4h s ASN 5 N 11.05 4.00 -0.36 0.55 2.47 -1.26 -5.12 114.94 126.28 2k4h s ASN 5 Ca 1.04 -1.02 0.03 0.00 0.42 0.00 0.00 52.86 53.34 2k4h s ASN 5 Cb -0.38 -0.48 0.11 0.00 -1.45 0.00 0.00 41.25 39.05 2k4h s ASN 5 CO 0.32 -0.16 0.10 -0.55 -3.72 0.00 0.00 177.10 173.09 2k4h s SER 6 N -3.65 4.48 -0.19 -4.21 0.15 -1.26 -4.94 113.70 104.09 2k4h s SER 6 Ca 0.33 -2.17 -0.03 0.00 0.70 0.00 0.00 55.95 54.78 2k4h s SER 6 Cb -0.01 -1.42 -0.22 0.00 -1.71 0.00 0.00 66.02 62.66 2k4h s SER 6 CO 0.18 -0.36 0.09 0.52 1.20 0.00 0.00 173.24 174.86 2k4h n VAL 7 N 4.21 1.65 -1.67 4.45 0.31 -1.26 -4.90 118.33 121.12 2k4h n VAL 7 Ca 0.03 -0.62 -0.44 0.00 -0.01 0.00 0.00 64.34 63.31 2k4h n VAL 7 Cb 0.40 -1.59 -0.03 0.00 -0.91 0.00 0.00 33.84 31.71 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 -3.38 4.00 0.00 7.52 4.77 -1.26 -4.97 117.00 123.68 2k4h n LEU 8 Ca -0.38 0.92 -0.11 0.00 -0.03 0.00 0.00 56.01 56.41 2k4h n LEU 8 Cb 1.02 -1.49 0.10 0.00 -2.33 0.00 0.00 43.42 40.72 2k4h n LEU 8 CO 0.35 0.14 0.19 -1.14 -1.33 0.00 0.00 177.39 175.61 2k4h n ARG 9 N 7.24 -2.24 -0.08 3.23 0.63 -1.26 -4.86 116.66 119.31 2k4h n ARG 9 Ca 0.21 -0.61 -0.12 0.00 -0.92 0.00 0.00 57.85 56.41 2k4h n ARG 9 Cb 0.38 -0.64 -0.06 0.00 0.45 0.00 0.00 32.46 32.59 2k4h n ARG 9 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 2k4h h GLY 10 N -1.55 0.00 1.50 5.14 0.00 -1.99 -3.18 103.07 102.99 2k4h h GLY 10 Ca -0.15 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 46.99 2k4h h GLY 10 CO 0.10 0.00 -0.74 0.50 0.00 0.00 0.00 176.54 176.39 2k4h h LYS 11 N -1.00 0.49 -0.45 4.80 6.56 -2.02 -3.23 116.57 121.73 2k4h h LYS 11 Ca -0.14 -0.40 -0.10 0.00 -1.06 0.00 0.00 60.65 58.95 2k4h h LYS 11 Cb 0.82 0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 32.55 2k4h h LYS 11 CO -0.09 1.03 -0.11 0.87 -2.06 0.00 0.00 179.45 179.09 2k4h h LYS 12 N 0.33 0.87 -0.85 3.15 1.79 -1.97 -2.91 116.57 116.98 2k4h h LYS 12 Ca -0.04 -0.34 0.18 0.00 -2.18 0.00 0.00 60.65 58.27 2k4h h LYS 12 Cb 1.33 -0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 31.87 2k4h h LYS 12 CO 0.13 0.98 0.56 0.00 -1.08 0.00 0.00 179.45 180.04 2k4h h ALA 13 N 0.87 2.11 -0.09 3.86 0.00 -1.56 0.26 119.26 124.71 2k4h h ALA 13 Ca 0.11 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.06 2k4h h ALA 13 Cb 0.66 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2k4h h ALA 13 CO 0.05 -0.37 0.08 0.22 0.00 0.00 0.00 179.25 179.22 2k4h h ASP 14 N 0.45 0.00 0.08 0.00 3.58 -1.55 0.22 116.42 119.21 2k4h h ASP 14 Ca 0.43 0.00 -0.29 0.00 0.42 0.00 0.00 57.03 57.60 2k4h h ASP 14 Cb 0.99 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.03 2k4h h ASP 14 CO -0.16 0.00 -1.52 -0.33 -2.88 0.00 0.00 179.24 174.35 2k4h h GLU 15 N 0.00 0.18 0.15 0.28 3.07 -0.62 -3.20 114.58 114.44 2k4h h GLU 15 Ca 0.04 -0.31 -0.01 0.00 -0.50 0.00 0.00 59.36 58.59 2k4h h GLU 15 Cb 0.20 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 2k4h h GLU 15 CO -0.00 1.15 -0.07 1.25 -1.40 0.00 0.00 179.01 179.93 2k4h h LEU 16 N -0.40 -0.17 -1.05 1.33 7.12 -0.97 -1.16 115.31 120.02 2k4h h LEU 16 Ca -0.35 -0.13 0.00 0.00 0.13 0.00 0.00 57.88 57.53 2k4h h LEU 16 Cb 1.70 0.05 0.00 0.00 -0.53 0.00 0.00 40.66 41.88 2k4h h LEU 16 CO -0.01 0.03 0.00 -0.62 -0.13 0.00 0.00 178.44 177.71 2k4h n GLU 17 N -5.10 0.18 -0.05 1.25 -0.58 0.74 -2.63 120.64 114.43 2k4h n GLU 17 Ca -0.09 0.52 -0.18 0.00 -0.42 0.00 0.00 57.16 57.00 2k4h n GLU 17 Cb 0.17 -1.92 -0.13 0.00 -0.57 0.00 0.00 31.44 28.98 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 0.07 -6.41 3.49 9.65 -1.40 -3.43 114.38 116.35 2k4h h ARG 18 Ca 0.00 -0.12 -0.63 0.00 -1.10 0.00 0.00 59.98 58.13 2k4h h ARG 18 Cb 0.21 0.04 0.07 0.00 -1.39 0.00 0.00 29.97 28.91 2k4h h ARG 18 CO 0.00 1.06 0.51 -0.89 2.80 0.00 0.00 179.97 183.45 2k4h n ILE 19 N -4.41 0.47 -3.60 1.20 5.41 -0.49 -4.92 119.36 113.01 2k4h n ILE 19 Ca -0.18 -0.12 -0.38 0.00 1.00 0.00 0.00 62.75 63.08 2k4h n ILE 19 Cb 0.63 -1.12 -0.06 0.00 -0.71 0.00 0.00 39.64 38.37 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 0.13 3.82 0.59 0.38 0.52 -1.10 -2.90 118.95 120.39 2k4h s ARG 20 Ca 0.76 0.25 0.28 0.00 -0.52 0.00 0.00 55.73 56.51 2k4h s ARG 20 Cb -0.80 -3.23 1.61 0.00 0.52 0.00 0.00 34.95 33.05 2k4h s ARG 20 CO 0.47 0.67 2.06 -0.07 0.02 0.00 0.00 175.30 178.45 2k4h h LEU 21 N 4.95 0.00 -8.15 2.53 3.38 -1.23 -1.32 115.31 115.47 2k4h h LEU 21 Ca -0.52 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.34 2k4h h LEU 21 Cb 1.22 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.82 2k4h h LEU 21 CO 0.62 0.00 -0.61 -0.13 0.09 0.00 0.00 178.44 178.41 2k4h s ARG 22 N -4.65 0.67 0.27 1.13 0.52 -1.26 -4.28 118.95 111.36 2k4h s ARG 22 Ca -0.05 -1.17 0.05 0.00 -0.52 0.00 0.00 55.73 54.04 2k4h s ARG 22 Cb 0.15 0.24 0.37 0.00 0.52 0.00 0.00 34.95 36.24 2k4h s ARG 22 CO 0.55 -0.15 1.65 -1.00 0.02 0.00 0.00 175.30 176.38 2k4h h PRO 23 N 3.05 0.28 -0.25 3.54 0.13 -1.92 -3.16 132.00 133.67 2k4h h PRO 23 Ca -0.34 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2k4h h PRO 23 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2k4h h PRO 23 CO 0.64 0.69 0.00 0.41 -0.23 0.00 0.00 178.00 179.50 2k4h n GLY 24 N -0.05 3.35 3.73 1.56 0.00 -1.26 -5.02 105.19 107.50 2k4h n GLY 24 Ca -0.02 -0.60 -0.19 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.07 1.66 0.00 -0.02 0.00 -1.20 -5.04 105.19 100.52 2k4h n GLY 25 Ca 0.14 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.98 2k4h n GLY 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k4h n LYS 26 N -2.34 -0.71 -3.08 1.61 5.02 -1.26 -4.85 118.16 112.56 2k4h n LYS 26 Ca 0.16 -0.40 -0.35 0.00 -2.02 0.00 0.00 58.31 55.69 2k4h n LYS 26 Cb 0.57 -0.88 -0.06 0.00 -0.02 0.00 0.00 35.03 34.64 2k4h n LYS 26 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2k4h s LYS 27 N -0.01 4.23 0.31 1.97 1.02 -1.26 -4.99 119.74 121.00 2k4h s LYS 27 Ca 0.00 0.87 0.11 0.00 0.02 0.00 0.00 55.97 56.96 2k4h s LYS 27 Cb 0.00 -2.77 -0.06 0.00 -0.52 0.00 0.00 37.83 34.48 2k4h s LYS 27 CO 0.00 0.33 -0.12 0.15 -0.92 0.00 0.00 175.35 174.79 2k4h s LYS 28 N -2.19 1.81 0.39 1.68 1.02 -1.26 -0.72 119.74 120.46 2k4h s LYS 28 Ca 0.46 -1.82 -0.27 0.00 0.02 0.00 0.00 55.97 54.37 2k4h s LYS 28 Cb -0.15 -1.78 -0.09 0.00 -0.52 0.00 0.00 37.83 35.28 2k4h s LYS 28 CO 0.20 0.23 1.32 0.71 -0.92 0.00 0.00 175.35 176.90 2k4h s TYR 29 N -2.54 2.84 0.15 3.18 2.02 -1.14 -4.78 117.35 117.08 2k4h s TYR 29 Ca 0.32 1.39 -0.06 0.00 -0.37 0.00 0.00 57.07 58.34 2k4h s TYR 29 Cb -0.02 -3.70 -0.02 0.00 -0.40 0.00 0.00 41.96 37.83 2k4h s TYR 29 CO 0.16 -2.12 0.21 0.50 -1.57 0.00 0.00 175.55 172.73 2k4h s ARG 30 N -2.15 1.08 0.47 -0.62 3.52 -1.26 -4.45 118.95 115.53 2k4h s ARG 30 Ca 0.55 -1.25 0.28 0.00 -0.13 0.00 0.00 55.73 55.17 2k4h s ARG 30 Cb -0.39 0.33 1.33 0.00 -1.56 0.00 0.00 34.95 34.67 2k4h s ARG 30 CO 0.51 -0.37 1.80 1.25 -0.81 0.00 0.00 175.30 177.68 2k4h h LEU 31 N 2.65 0.21 -0.90 -0.88 5.85 -2.00 0.19 115.31 120.43 2k4h h LEU 31 Ca -0.33 0.04 0.14 0.00 0.84 0.00 0.00 57.88 58.58 2k4h h LEU 31 Cb 1.22 0.01 -0.09 0.00 0.37 0.00 0.00 40.66 42.16 2k4h h LEU 31 CO 0.52 0.04 0.50 0.11 -0.34 0.00 0.00 178.44 179.27 2k4h h LYS 32 N 0.19 0.70 0.00 1.25 1.57 -1.99 0.70 116.57 118.99 2k4h h LYS 32 Ca 0.57 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 59.20 2k4h h LYS 32 Cb 1.85 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.99 2k4h h LYS 32 CO -0.15 0.46 -0.52 0.45 -0.57 0.00 0.00 179.45 179.13 2k4h h HIS 33 N 0.72 0.00 -0.17 -1.35 3.86 -1.03 -3.01 115.15 114.17 2k4h h HIS 33 Ca 0.48 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.49 2k4h h HIS 33 Cb 0.64 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.12 2k4h h HIS 33 CO -0.06 0.52 -0.68 0.82 0.86 0.00 0.00 177.93 179.39 2k4h h ILE 34 N 0.00 1.30 0.78 2.45 2.04 -0.87 -3.04 117.51 120.18 2k4h h ILE 34 Ca -0.01 -1.92 -0.04 0.00 1.00 0.00 0.00 64.86 63.89 2k4h h ILE 34 Cb 0.95 1.89 0.01 0.00 -0.74 0.00 0.00 36.82 38.93 2k4h h ILE 34 CO 0.07 0.61 -0.38 0.58 0.00 0.00 0.00 178.15 179.03 2k4h h VAL 35 N 0.50 0.20 -0.65 1.67 2.07 -1.20 0.25 116.25 119.09 2k4h h VAL 35 Ca -0.02 -0.06 0.19 0.00 0.82 0.00 0.00 66.70 67.62 2k4h h VAL 35 Cb 1.28 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 2k4h h VAL 35 CO 0.14 0.01 0.51 -0.25 0.02 0.00 0.00 177.57 177.99 2k4h h TRP 36 N -1.10 0.00 0.01 1.57 7.01 -1.62 -0.86 115.95 120.96 2k4h h TRP 36 Ca -0.11 0.00 -0.06 0.00 2.11 0.00 0.00 58.89 60.83 2k4h h TRP 36 Cb 0.82 0.00 0.01 0.00 -2.10 0.00 0.00 29.16 27.88 2k4h h TRP 36 CO -0.01 0.00 -0.24 0.00 -2.79 0.00 0.00 178.44 175.40 2k4h h ALA 37 N 1.59 0.01 -0.82 2.65 0.00 -1.32 -3.29 119.26 118.07 2k4h h ALA 37 Ca 0.31 -0.49 0.10 0.00 0.00 0.00 0.00 54.91 54.83 2k4h h ALA 37 Cb 1.33 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.08 2k4h h ALA 37 CO -0.00 0.08 0.54 0.00 0.00 0.00 0.00 179.25 179.86 2k4h h ALA 38 N 0.20 1.72 -0.59 0.00 0.00 0.40 -0.49 119.26 120.50 2k4h h ALA 38 Ca -0.03 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.94 2k4h h ALA 38 Cb 1.04 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 2k4h h ALA 38 CO 0.05 0.11 0.39 -0.97 0.00 0.00 0.00 179.25 178.83 2k4h h ASN 39 N 0.78 0.45 -0.09 0.00 -0.73 -1.40 -2.14 115.58 112.45 2k4h h ASN 39 Ca 0.38 0.00 -0.10 0.00 1.87 0.00 0.00 56.30 58.45 2k4h h ASN 39 Cb 0.43 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 38.93 2k4h h ASN 39 CO -0.15 0.29 -0.33 0.11 -0.37 0.00 0.00 177.43 176.98 2k4h h LYS 40 N 0.51 0.38 -0.53 6.67 1.79 -1.18 -3.09 116.57 121.12 2k4h h LYS 40 Ca 0.26 -0.29 0.15 0.00 -2.18 0.00 0.00 60.65 58.59 2k4h h LYS 40 Cb 0.36 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.05 2k4h h LYS 40 CO -0.07 0.92 0.51 -0.07 -1.08 0.00 0.00 179.45 179.65 2k4h h LEU 41 N -0.08 0.00 0.10 2.94 3.38 -1.10 -1.34 115.31 119.22 2k4h h LEU 41 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2k4h h LEU 41 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2k4h h LEU 41 CO 0.07 0.00 -0.05 0.44 0.09 0.00 0.00 178.44 178.99 2k4h h ASP 42 N 0.00 -0.12 -0.56 -0.43 3.32 -1.42 0.32 116.42 117.53 2k4h h ASP 42 Ca 0.25 -0.44 0.16 0.00 0.02 0.00 0.00 57.03 57.02 2k4h h ASP 42 Cb 1.27 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.82 2k4h h ASP 42 CO -0.00 0.51 0.63 -0.09 -1.72 0.00 0.00 179.24 178.56 2k4h h ARG 43 N -0.88 0.00 0.01 3.56 2.43 -1.21 -1.58 114.38 116.72 2k4h h ARG 43 Ca -0.01 0.00 -0.38 0.00 -0.81 0.00 0.00 59.98 58.77 2k4h h ARG 43 Cb 0.56 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.05 2k4h h ARG 43 CO 0.02 0.00 -2.16 1.19 -1.51 0.00 0.00 179.97 177.52 2k4h n PHE 44 N -3.59 0.40 0.00 2.20 3.72 -1.02 -5.05 117.46 114.11 2k4h n PHE 44 Ca 0.11 0.14 0.00 0.00 -0.05 0.00 0.00 57.45 57.65 2k4h n PHE 44 Cb 0.84 -1.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.33 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 1.57 3.88 3.48 1.37 0.00 0.10 -5.11 105.19 110.48 2k4h n GLY 45 Ca -0.45 -0.60 -0.52 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.08 -4.75 0.99 4.77 -0.57 -4.74 117.00 112.61 2k4h n LEU 46 Ca 0.00 1.14 -0.41 0.00 -0.03 0.00 0.00 56.01 56.72 2k4h n LEU 46 Cb 0.00 -1.02 -0.04 0.00 -2.33 0.00 0.00 43.42 40.03 2k4h n LEU 46 CO 0.00 -2.19 0.82 0.00 -1.33 0.00 0.00 177.39 174.69 2k4h s ALA 47 N -0.50 3.41 0.23 -1.18 0.00 -1.26 -3.88 121.76 118.58 2k4h s ALA 47 Ca 0.75 0.91 0.36 0.00 0.00 0.00 0.00 51.96 53.98 2k4h s ALA 47 Cb -1.01 -3.35 1.66 0.00 0.00 0.00 0.00 23.12 20.41 2k4h s ALA 47 CO 0.56 -0.23 2.08 1.05 0.00 0.00 0.00 175.76 179.21 2k4h h GLU 48 N 4.26 0.00 0.00 0.00 4.11 -1.89 -2.03 114.58 119.03 2k4h h GLU 48 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 2k4h h GLU 48 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2k4h h GLU 48 CO 0.69 0.00 0.00 0.43 0.07 0.00 0.00 179.01 180.20 2k4h n SER 49 N -3.02 0.09 -0.01 3.06 7.64 -1.26 -1.94 113.62 118.18 2k4h n SER 49 Ca -0.00 0.52 0.15 0.00 1.01 0.00 0.00 58.87 60.55 2k4h n SER 49 Cb 0.23 -0.54 0.90 0.00 -1.01 0.00 0.00 64.21 63.79 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 -1.60 0.03 -0.00 -3.43 4.77 -0.76 -3.28 117.00 112.72 2k4h n LEU 50 Ca 0.03 -0.01 0.11 0.00 -0.03 0.00 0.00 56.01 56.10 2k4h n LEU 50 Cb 0.16 -0.00 0.63 0.00 -2.33 0.00 0.00 43.42 41.88 2k4h n LEU 50 CO 0.13 0.01 0.90 0.18 -1.33 0.00 0.00 177.39 177.28 2k4h n LEU 51 N -0.95 0.00 -2.21 2.23 4.77 -0.82 -2.98 117.00 117.04 2k4h n LEU 51 Ca 0.23 -0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 56.02 2k4h n LEU 51 Cb 0.11 -0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.23 2k4h n LEU 51 CO 0.17 0.00 0.14 -1.84 -1.33 0.00 0.00 177.39 174.53 2k4h n GLU 52 N -0.83 3.19 -3.65 3.23 0.28 -1.21 -4.98 120.64 116.67 2k4h n GLU 52 Ca 0.16 -4.03 -0.02 0.00 -0.16 0.00 0.00 57.16 53.12 2k4h n GLU 52 Cb 0.07 -2.13 -0.06 0.00 1.43 0.00 0.00 31.44 30.75 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 -3.64 -0.43 0.15 -1.84 1.04 -1.22 -5.04 113.70 102.72 2k4h s SER 53 Ca 0.46 0.69 -0.18 0.00 0.48 0.00 0.00 55.95 57.40 2k4h s SER 53 Cb 0.39 1.18 0.05 0.00 0.10 0.00 0.00 66.02 67.73 2k4h s SER 53 CO 0.02 -0.11 1.69 0.07 0.98 0.00 0.00 173.24 175.89 2k4h h LYS 54 N 5.91 0.02 -0.79 4.02 2.10 -1.86 0.45 116.57 126.41 2k4h h LYS 54 Ca -0.28 -0.00 0.15 0.00 -2.00 0.00 0.00 60.65 58.52 2k4h h LYS 54 Cb 1.19 -0.01 -0.10 0.00 -0.90 0.00 0.00 32.23 32.41 2k4h h LYS 54 CO 0.20 0.02 0.34 1.49 -2.00 0.00 0.00 179.45 179.50 2k4h h GLU 55 N 0.02 0.45 -0.13 0.07 4.81 -1.97 0.25 114.58 118.09 2k4h h GLU 55 Ca 0.15 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.29 2k4h h GLU 55 Cb 0.23 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.50 2k4h h GLU 55 CO -0.31 0.30 -0.18 0.78 -0.73 0.00 0.00 179.01 178.88 2k4h h GLY 56 N 0.47 0.39 1.13 1.92 0.00 -1.51 -3.05 103.07 102.41 2k4h h GLY 56 Ca 0.45 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2k4h h GLY 56 CO -0.42 0.38 0.55 0.00 0.00 0.00 0.00 176.54 177.05 2k4h h GLN 58 N 1.19 1.14 0.00 0.00 4.15 -0.54 -0.44 115.11 120.62 2k4h h GLN 58 Ca 0.32 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.65 2k4h h GLN 58 Cb -0.09 -0.26 -0.00 0.00 0.21 0.00 0.00 27.48 27.34 2k4h h GLN 58 CO -0.06 0.76 -0.09 -0.22 -1.93 0.00 0.00 178.83 177.28 2k4h h LYS 59 N 1.18 0.00 0.07 1.69 3.64 -1.28 -2.83 116.57 119.04 2k4h h LYS 59 Ca 0.35 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.46 2k4h h LYS 59 Cb -0.05 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 31.80 2k4h h LYS 59 CO -0.09 0.09 -1.08 0.82 -2.27 0.00 0.00 179.45 176.92 2k4h h ILE 60 N 0.00 1.31 -0.80 2.00 2.04 -0.90 -3.10 117.51 118.06 2k4h h ILE 60 Ca -0.00 -2.35 -0.01 0.00 1.00 0.00 0.00 64.86 63.49 2k4h h ILE 60 Cb 0.45 2.63 -0.04 0.00 -0.74 0.00 0.00 36.82 39.12 2k4h h ILE 60 CO 0.01 0.71 0.45 -0.07 0.00 0.00 0.00 178.15 179.26 2k4h h LEU 61 N 0.22 0.99 -1.57 1.44 3.38 -1.21 0.08 115.31 118.64 2k4h h LEU 61 Ca -0.16 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 2k4h h LEU 61 Cb 1.76 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.25 2k4h h LEU 61 CO 0.21 0.79 -0.23 0.00 0.09 0.00 0.00 178.44 179.31 2k4h h THR 62 N 1.11 0.98 0.13 0.22 1.03 -1.60 0.36 112.91 115.15 2k4h h THR 62 Ca 0.28 -0.83 -0.29 0.00 -0.01 0.00 0.00 66.41 65.56 2k4h h THR 62 Cb 0.01 1.47 0.00 0.00 -1.07 0.00 0.00 68.15 68.56 2k4h h THR 62 CO -0.05 0.22 -1.38 0.58 -0.01 0.00 0.00 175.52 174.89 2k4h h VAL 63 N 0.00 1.34 0.00 0.00 2.07 -1.27 -3.31 116.25 115.08 2k4h h VAL 63 Ca -0.00 -2.94 -0.04 0.00 0.82 0.00 0.00 66.70 64.54 2k4h h VAL 63 Cb 0.45 2.87 -0.01 0.00 -1.52 0.00 0.00 31.29 33.08 2k4h h VAL 63 CO 0.03 0.85 -0.47 -0.07 0.02 0.00 0.00 177.57 177.93 2k4h h LEU 64 N 0.07 0.00 0.10 2.57 3.38 -0.70 -3.29 115.31 117.44 2k4h h LEU 64 Ca -0.19 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.80 2k4h h LEU 64 Cb 2.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.70 2k4h h LEU 64 CO 0.19 0.19 -0.49 -0.78 0.09 0.00 0.00 178.44 177.64 2k4h h ASP 65 N 0.00 -1.47 0.96 -0.43 3.58 -0.37 0.92 116.42 119.61 2k4h h ASP 65 Ca -0.02 0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.59 2k4h h ASP 65 Cb 1.16 0.54 0.00 0.00 1.72 0.00 0.00 39.33 42.75 2k4h h ASP 65 CO 0.02 -0.51 0.00 1.55 -2.88 0.00 0.00 179.24 177.42 2k4h h PRO 66 N -0.69 0.00 0.00 0.28 0.13 -1.73 -2.65 132.00 127.35 2k4h h PRO 66 Ca -0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.05 2k4h h PRO 66 Cb 0.69 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.81 2k4h h PRO 66 CO -0.27 0.00 -0.35 0.52 -0.23 0.00 0.00 178.00 177.67 2k4h h MET 67 N 0.00 0.00 0.30 0.86 2.86 -1.37 -3.33 114.93 114.25 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 0.48 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.11 2k4h h MET 67 CO 0.00 0.35 -0.41 0.28 1.06 0.00 0.00 176.91 178.20 2k4h h VAL 68 N 0.00 0.18 0.00 -2.22 2.07 -0.48 0.21 116.25 116.01 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 1.20 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2k4h h VAL 68 CO 0.05 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 176.83 2k4h n PRO 69 N -5.48 0.49 -1.55 1.57 -0.04 -1.25 -2.42 135.00 126.32 2k4h n PRO 69 Ca -0.09 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.40 2k4h n PRO 69 Cb 0.39 -1.40 0.05 0.00 -0.04 0.00 0.00 33.50 32.49 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 -0.90 0.45 -4.24 0.52 -1.04 -0.33 -5.10 114.28 103.65 2k4h n THR 70 Ca 0.10 -1.55 -0.18 0.00 -2.04 0.00 0.00 64.05 60.38 2k4h n THR 70 Cb 0.04 0.85 -0.07 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 0.16 2.75 0.00 3.41 0.00 0.59 -4.94 105.19 107.16 2k4h n GLY 71 Ca 0.08 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.68 1.79 -0.29 1.61 3.41 -1.26 -4.88 113.62 112.31 2k4h n SER 72 Ca 0.06 -0.91 0.08 0.00 -0.26 0.00 0.00 58.87 57.85 2k4h n SER 72 Cb 0.60 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.78 2k4h n SER 72 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2k4h h GLU 73 N 0.00 0.50 -0.83 4.33 4.81 -1.98 0.31 114.58 121.72 2k4h h GLU 73 Ca 0.00 -0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.29 2k4h h GLU 73 Cb 0.00 -0.11 -0.06 0.00 0.63 0.00 0.00 28.75 29.21 2k4h h GLU 73 CO 0.00 0.33 0.54 -0.91 -0.73 0.00 0.00 179.01 178.24 2k4h h ASN 74 N 0.52 0.73 0.00 1.04 4.21 -1.99 0.27 115.58 120.36 2k4h h ASN 74 Ca 0.47 0.02 -0.01 0.00 1.21 0.00 0.00 56.30 57.99 2k4h h ASN 74 Cb 0.74 -0.14 -0.00 0.00 -1.12 0.00 0.00 38.32 37.81 2k4h h ASN 74 CO -0.42 0.44 -0.05 0.25 -1.29 0.00 0.00 177.43 176.36 2k4h h LEU 75 N 0.81 0.00 -1.71 1.61 6.46 -1.11 -3.32 115.31 118.06 2k4h h LEU 75 Ca 0.37 -0.60 0.16 0.00 -0.12 0.00 0.00 57.88 57.70 2k4h h LEU 75 Cb 0.38 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.27 2k4h h LEU 75 CO -0.15 0.83 0.48 0.11 -0.62 0.00 0.00 178.44 179.09 2k4h h LYS 76 N -1.00 0.28 -0.82 1.25 1.57 -0.39 -0.52 116.57 116.94 2k4h h LYS 76 Ca -0.01 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.80 2k4h h LYS 76 Cb 0.63 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.83 2k4h h LYS 76 CO -0.01 0.18 0.51 0.77 -0.57 0.00 0.00 179.45 180.34 2k4h h SER 77 N 0.28 0.83 -0.37 0.86 0.02 -0.56 -2.26 113.55 112.36 2k4h h SER 77 Ca 0.34 0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 61.17 2k4h h SER 77 Cb 0.95 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 2k4h h SER 77 CO -0.08 0.55 -0.29 0.25 -1.14 0.00 0.00 176.83 176.12 2k4h h LEU 78 N 0.97 0.89 -1.02 5.07 5.85 -1.20 -2.86 115.31 123.01 2k4h h LEU 78 Ca 0.34 -0.44 0.13 0.00 0.84 0.00 0.00 57.88 58.74 2k4h h LEU 78 Cb 0.08 -0.25 -0.09 0.00 0.37 0.00 0.00 40.66 40.78 2k4h h LEU 78 CO -0.14 1.14 0.63 0.15 -0.34 0.00 0.00 178.44 179.88 2k4h h PHE 79 N 0.64 1.13 0.00 1.25 3.57 -1.09 0.45 116.94 122.89 2k4h h PHE 79 Ca 0.07 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.60 2k4h h PHE 79 Cb 0.86 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.24 2k4h h PHE 79 CO 0.06 0.43 0.00 -0.91 -2.23 0.00 0.00 178.31 175.66 2k4h h ASN 80 N 0.97 0.00 0.20 0.41 4.21 -1.32 -2.89 115.58 117.15 2k4h h ASN 80 Ca 0.50 0.00 -0.35 0.00 1.21 0.00 0.00 56.30 57.66 2k4h h ASN 80 Cb 0.53 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.72 2k4h h ASN 80 CO -0.27 0.00 -1.91 0.74 -1.29 0.00 0.00 177.43 174.70 2k4h h THR 81 N 0.00 0.72 -0.01 2.81 2.02 -0.28 -3.36 112.91 114.81 2k4h h THR 81 Ca 0.00 -2.43 -0.08 0.00 0.77 0.00 0.00 66.41 64.67 2k4h h THR 81 Cb 0.69 2.54 -0.01 0.00 -1.74 0.00 0.00 68.15 69.63 2k4h h THR 81 CO 0.00 0.84 -0.37 0.58 0.37 0.00 0.00 175.52 176.94 2k4h h VAL 82 N 0.07 1.27 0.00 3.16 2.07 -0.31 -2.37 116.25 120.14 2k4h h VAL 82 Ca -0.39 -1.28 -0.04 0.00 0.82 0.00 0.00 66.70 65.82 2k4h h VAL 82 Cb 2.04 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 33.48 2k4h h VAL 82 CO 0.10 0.37 -0.17 0.00 0.02 0.00 0.00 177.57 177.89 2k4h h VAL 84 N 0.00 0.00 -0.90 0.00 2.07 -1.57 -3.28 116.25 112.57 2k4h h VAL 84 Ca -0.00 -0.79 0.24 0.00 0.82 0.00 0.00 66.70 66.97 2k4h h VAL 84 Cb 0.49 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.10 2k4h h VAL 84 CO 0.02 0.00 0.11 0.40 0.02 0.00 0.00 177.57 178.12 2k4h h ILE 85 N -0.79 0.18 -0.34 4.57 1.08 -1.55 0.26 117.51 120.91 2k4h h ILE 85 Ca 0.00 -0.03 0.06 0.00 -0.39 0.00 0.00 64.86 64.50 2k4h h ILE 85 Cb 0.09 0.08 -0.06 0.00 -3.07 0.00 0.00 36.82 33.86 2k4h h ILE 85 CO 0.00 0.02 -0.04 -0.25 -0.69 0.00 0.00 178.15 177.19 2k4h h TRP 86 N 0.09 -0.09 -0.58 1.37 7.01 -1.65 -2.01 115.95 120.09 2k4h h TRP 86 Ca 0.55 0.03 0.12 0.00 2.11 0.00 0.00 58.89 61.70 2k4h h TRP 86 Cb 1.12 0.09 -0.09 0.00 -2.10 0.00 0.00 29.16 28.18 2k4h h TRP 86 CO -0.39 -0.10 0.06 0.00 -2.79 0.00 0.00 178.44 175.22 2k4h h ILE 88 N 0.18 0.64 0.07 0.00 2.04 -1.05 0.85 117.51 120.22 2k4h h ILE 88 Ca 0.30 -0.18 -0.24 0.00 1.00 0.00 0.00 64.86 65.74 2k4h h ILE 88 Cb 0.47 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 2k4h h ILE 88 CO -0.45 0.10 -1.09 0.45 0.00 0.00 0.00 178.15 177.15 2k4h h HIS 89 N 0.53 0.36 -0.16 1.37 3.86 -0.73 -3.18 115.15 117.21 2k4h h HIS 89 Ca 0.55 -0.24 0.00 0.00 -1.16 0.00 0.00 60.37 59.51 2k4h h HIS 89 Cb 1.17 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.62 2k4h h HIS 89 CO -0.00 1.15 0.00 0.00 0.86 0.00 0.00 177.93 179.94 2k4h n ALA 90 N -2.48 2.48 -3.00 2.45 0.00 0.13 -4.79 120.51 115.29 2k4h n ALA 90 Ca -0.06 -0.28 -0.13 0.00 0.00 0.00 0.00 53.44 52.98 2k4h n ALA 90 Cb 0.95 -0.99 0.06 0.00 0.00 0.00 0.00 19.45 19.47 2k4h n ALA 90 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2k4h n GLU 91 N -0.04 -3.42 -4.71 0.00 2.13 -0.44 -5.04 120.64 109.13 2k4h n GLU 91 Ca 0.06 0.68 -0.25 0.00 0.66 0.00 0.00 57.16 58.30 2k4h n GLU 91 Cb 0.14 -5.04 -0.16 0.00 0.27 0.00 0.00 31.44 26.65 2k4h n GLU 91 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2k4h s GLU 92 N -4.56 1.75 -0.18 5.31 0.41 -0.27 -5.02 118.70 116.14 2k4h s GLU 92 Ca 0.19 -0.51 -0.05 0.00 -0.41 0.00 0.00 54.97 54.19 2k4h s GLU 92 Cb -0.02 -1.47 -0.03 0.00 -1.78 0.00 0.00 34.13 30.82 2k4h s GLU 92 CO 0.58 0.13 0.00 0.15 -0.49 0.00 0.00 175.26 175.63 2k4h s LYS 93 N 0.35 3.72 -0.07 1.61 1.02 -1.26 -4.08 119.74 121.03 2k4h s LYS 93 Ca -0.10 -0.48 0.04 0.00 0.02 0.00 0.00 55.97 55.45 2k4h s LYS 93 Cb -0.14 -3.05 0.00 0.00 -0.52 0.00 0.00 37.83 34.13 2k4h s LYS 93 CO 0.03 0.16 -0.19 0.14 -0.92 0.00 0.00 175.35 174.57 2k4h s VAL 94 N 0.61 1.64 0.06 3.17 -7.23 -1.26 -5.04 120.40 112.35 2k4h s VAL 94 Ca -0.00 -0.79 -0.26 0.00 -1.81 0.00 0.00 61.98 59.11 2k4h s VAL 94 Cb -0.14 -1.43 -0.17 0.00 0.56 0.00 0.00 36.38 35.20 2k4h s VAL 94 CO 0.02 0.47 1.56 0.11 -0.31 0.00 0.00 175.10 176.95 2k4h h LYS 95 N 6.62 -0.28 -4.88 4.82 1.57 -1.97 -3.42 116.57 119.03 2k4h h LYS 95 Ca -0.27 0.02 -0.30 0.00 -1.87 0.00 0.00 60.65 58.23 2k4h h LYS 95 Cb 1.20 0.06 -0.18 0.00 0.08 0.00 0.00 32.23 33.40 2k4h h LYS 95 CO 0.47 -0.10 -0.73 0.16 -0.57 0.00 0.00 179.45 178.69 2k4h s ASP 96 N -5.04 1.35 0.21 0.86 1.47 -1.26 -2.71 116.67 111.55 2k4h s ASP 96 Ca -0.15 -0.80 -0.15 0.00 1.18 0.00 0.00 52.55 52.63 2k4h s ASP 96 Cb 0.04 0.02 0.23 0.00 -0.34 0.00 0.00 42.92 42.87 2k4h s ASP 96 CO 0.63 -0.28 1.62 0.74 0.68 0.00 0.00 175.17 178.56 2k4h h THR 97 N 3.60 0.32 -0.96 2.11 2.02 -1.42 0.56 112.91 119.15 2k4h h THR 97 Ca -0.37 0.00 0.28 0.00 0.77 0.00 0.00 66.41 67.09 2k4h h THR 97 Cb 1.19 0.32 -0.04 0.00 -1.74 0.00 0.00 68.15 67.88 2k4h h THR 97 CO 0.53 0.00 0.69 -0.33 0.37 0.00 0.00 175.52 176.78 2k4h h GLU 98 N -0.03 0.00 0.03 6.66 4.39 -1.86 0.33 114.58 124.10 2k4h h GLU 98 Ca 0.30 -0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.78 2k4h h GLU 98 Cb 0.49 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 2k4h h GLU 98 CO -0.67 0.00 -1.01 0.78 -1.16 0.00 0.00 179.01 176.95 2k4h h GLY 99 N 0.00 0.13 1.45 -3.84 0.00 -0.29 -3.27 103.07 97.25 2k4h h GLY 99 Ca 0.46 -0.30 -0.13 0.00 0.00 0.00 0.00 47.33 47.36 2k4h h GLY 99 CO -0.00 0.26 -0.37 0.00 0.00 0.00 0.00 176.54 176.42 2k4h h ALA 100 N 0.91 0.84 0.00 3.60 0.00 0.15 -2.67 119.26 122.09 2k4h h ALA 100 Ca -0.05 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 2k4h h ALA 100 Cb 1.72 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 2k4h h ALA 100 CO 0.15 0.64 -0.07 -0.22 0.00 0.00 0.00 179.25 179.75 2k4h h LYS 101 N 0.51 0.00 0.14 0.00 3.11 -1.45 -1.91 116.57 116.97 2k4h h LYS 101 Ca 0.05 0.00 -0.30 0.00 -2.81 0.00 0.00 60.65 57.59 2k4h h LYS 101 Cb 0.88 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.11 2k4h h LYS 101 CO 0.08 0.07 -1.40 1.96 -2.81 0.00 0.00 179.45 177.34 2k4h h GLN 102 N 0.00 0.29 -0.10 1.90 1.08 -1.53 -2.74 115.11 114.02 2k4h h GLN 102 Ca -0.00 -0.50 -0.06 0.00 -1.45 0.00 0.00 58.65 56.63 2k4h h GLN 102 Cb 0.36 0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.98 2k4h h GLN 102 CO 0.01 1.20 -0.18 0.82 -0.95 0.00 0.00 178.83 179.73 2k4h h ILE 103 N 0.08 1.39 -0.19 2.54 2.04 -1.24 -2.82 117.51 119.31 2k4h h ILE 103 Ca -0.20 -1.47 -0.02 0.00 1.00 0.00 0.00 64.86 64.17 2k4h h ILE 103 Cb 2.02 2.12 -0.01 0.00 -0.74 0.00 0.00 36.82 40.21 2k4h h ILE 103 CO 0.19 0.42 0.04 0.58 0.00 0.00 0.00 178.15 179.39 2k4h h VAL 104 N -0.16 1.21 -0.31 1.67 2.07 -1.50 -2.45 116.25 116.78 2k4h h VAL 104 Ca 0.00 -0.68 0.07 0.00 0.82 0.00 0.00 66.70 66.92 2k4h h VAL 104 Cb 0.77 1.29 -0.07 0.00 -1.52 0.00 0.00 31.29 31.76 2k4h h VAL 104 CO 0.04 0.21 -0.15 -0.09 0.02 0.00 0.00 177.57 177.60 2k4h h ARG 105 N 0.12 -0.10 -0.66 1.57 2.43 -1.56 -1.39 114.38 114.79 2k4h h ARG 105 Ca 0.06 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.29 2k4h h ARG 105 Cb 0.28 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.80 2k4h h ARG 105 CO 0.00 -0.07 0.38 0.00 -1.51 0.00 0.00 179.97 178.77 2k4h h ARG 106 N -0.10 0.69 0.00 0.20 3.08 -1.45 -1.05 114.38 115.75 2k4h h ARG 106 Ca 0.16 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 2k4h h ARG 106 Cb 0.35 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 2k4h h ARG 106 CO -0.38 0.45 -0.03 0.45 -1.07 0.00 0.00 179.97 179.40 2k4h h HIS 107 N 0.71 0.00 0.05 3.04 3.86 -0.79 -1.84 115.15 120.17 2k4h h HIS 107 Ca 0.29 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.33 2k4h h HIS 107 Cb 0.14 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.62 2k4h h HIS 107 CO -0.07 0.03 -0.68 -0.07 0.86 0.00 0.00 177.93 177.99 2k4h h LEU 108 N 0.00 0.51 -1.36 2.43 3.38 -0.32 -3.25 115.31 116.70 2k4h h LEU 108 Ca -0.00 -0.83 -0.01 0.00 0.09 0.00 0.00 57.88 57.13 2k4h h LEU 108 Cb 0.05 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2k4h h LEU 108 CO 0.00 1.28 0.25 0.58 0.09 0.00 0.00 178.44 180.64 2k4h h VAL 109 N -0.20 1.16 0.00 1.22 2.07 -1.05 -1.54 116.25 117.92 2k4h h VAL 109 Ca -0.10 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 2k4h h VAL 109 Cb 1.43 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 31.72 2k4h h VAL 109 CO 0.13 0.19 -0.13 0.00 0.02 0.00 0.00 177.57 177.78 2k4h h ALA 110 N 1.58 1.56 -0.87 1.67 0.00 -1.41 -1.89 119.26 119.90 2k4h h ALA 110 Ca 0.17 -0.12 -0.46 0.00 0.00 0.00 0.00 54.91 54.51 2k4h h ALA 110 Cb 0.06 -0.02 -0.27 0.00 0.00 0.00 0.00 17.79 17.56 2k4h h ALA 110 CO -0.03 0.16 0.59 -1.91 0.00 0.00 0.00 179.25 178.06 2k4h n GLU 111 N -4.06 2.11 -1.19 0.00 4.07 -0.58 -4.07 120.64 116.92 2k4h n GLU 111 Ca -0.02 -2.64 -0.01 0.00 -0.06 0.00 0.00 57.16 54.42 2k4h n GLU 111 Cb 0.21 -2.04 -0.02 0.00 -0.06 0.00 0.00 31.44 29.54 2k4h n GLU 111 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 2k4h n THR 112 N -0.93 0.00 -2.33 6.31 -1.04 -0.71 -4.90 114.28 110.68 2k4h n THR 112 Ca 0.53 -0.49 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 2k4h n THR 112 Cb 1.49 0.72 -0.01 0.00 -1.82 0.00 0.00 70.33 70.71 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 0.24 0.83 0.67 3.41 0.00 -1.24 -4.88 105.19 104.23 2k4h n GLY 113 Ca -0.09 -0.56 0.06 0.00 0.00 0.00 0.00 46.02 45.43 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 0.33 1.73 -1.48 2.61 5.66 -1.26 -4.67 114.28 117.19 2k4h n THR 114 Ca -0.06 -2.64 0.07 0.00 -3.05 0.00 0.00 64.05 58.38 2k4h n THR 114 Cb 1.00 -0.01 0.15 0.00 -1.55 0.00 0.00 70.33 69.92 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 -0.86 2.87 -2.70 1.79 0.00 -1.26 -4.77 120.51 115.57 2k4h n ALA 115 Ca 0.16 -2.79 -0.07 0.00 0.00 0.00 0.00 53.44 50.74 2k4h n ALA 115 Cb 0.76 -0.40 0.09 0.00 0.00 0.00 0.00 19.45 19.90 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 -1.05 0.93 -0.25 0.00 4.07 -1.26 -4.99 120.64 118.09 2k4h n GLU 116 Ca 0.15 -1.64 0.14 0.00 -0.06 0.00 0.00 57.16 55.76 2k4h n GLU 116 Cb 0.71 -0.42 0.43 0.00 -0.06 0.00 0.00 31.44 32.10 2k4h n GLU 116 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 2k4h h LYS 117 N 2.30 0.55 -3.03 5.31 3.64 -1.90 -3.48 116.57 119.96 2k4h h LYS 117 Ca -0.25 -0.03 0.30 0.00 -1.27 0.00 0.00 60.65 59.39 2k4h h LYS 117 Cb 1.21 -0.12 -0.16 0.00 -0.41 0.00 0.00 32.23 32.74 2k4h h LYS 117 CO -0.00 0.37 -1.11 -1.33 -2.27 0.00 0.00 179.45 175.11 2k4h n MET 118 N -4.54 -2.90 -1.25 1.90 2.81 -1.26 -4.90 117.12 106.98 2k4h n MET 118 Ca 0.18 2.38 -0.31 0.00 -1.81 0.00 0.00 57.70 58.14 2k4h n MET 118 Cb 0.55 -3.37 0.10 0.00 -0.71 0.00 0.00 33.22 29.78 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 -4.16 2.02 0.39 0.03 0.04 -1.26 -4.99 135.00 127.07 2k4h s PRO 119 Ca 0.00 1.08 -0.26 0.00 0.04 0.00 0.00 61.00 61.86 2k4h s PRO 119 Cb 0.00 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.57 2k4h s PRO 119 CO 0.00 -1.78 1.27 0.45 0.04 0.00 0.00 177.00 176.97 2k4h s SER 120 N -3.40 6.48 0.01 6.66 0.15 -1.26 -5.04 113.70 117.29 2k4h s SER 120 Ca 0.62 2.58 0.02 0.00 0.70 0.00 0.00 55.95 59.87 2k4h s SER 120 Cb -0.17 -2.63 -0.01 0.00 -1.71 0.00 0.00 66.02 61.49 2k4h s SER 120 CO 0.56 -0.73 -0.07 0.28 1.20 0.00 0.00 173.24 174.49 2k4h s THR 121 N -1.27 0.51 -0.00 6.45 -1.32 -1.26 -5.12 115.64 113.63 2k4h s THR 121 Ca 0.55 -0.44 -0.30 0.00 -1.21 0.00 0.00 61.69 60.29 2k4h s THR 121 Cb -0.37 -0.46 -0.06 0.00 -1.51 0.00 0.00 72.50 70.10 2k4h s THR 121 CO 0.47 0.03 1.56 -0.94 -2.21 0.00 0.00 174.62 173.53 2k4h s SER 122 N -0.46 6.71 -0.08 8.08 1.04 -1.26 -4.99 113.70 122.74 2k4h s SER 122 Ca -0.00 2.26 -0.20 0.00 0.48 0.00 0.00 55.95 58.49 2k4h s SER 122 Cb -0.04 -2.55 0.04 0.00 0.10 0.00 0.00 66.02 63.57 2k4h s SER 122 CO -0.00 -0.85 0.47 0.00 0.98 0.00 0.00 173.24 173.84 2k4h s ARG 123 N 3.09 0.74 -0.03 4.02 1.70 -1.26 -5.14 118.95 122.07 2k4h s ARG 123 Ca 0.70 0.23 -0.30 0.00 -0.47 0.00 0.00 55.73 55.89 2k4h s ARG 123 Cb -0.34 0.34 -0.05 0.00 -0.57 0.00 0.00 34.95 34.33 2k4h s ARG 123 CO 0.29 -0.18 1.47 -1.25 -1.08 0.00 0.00 175.30 174.55 2k4h s PRO 124 N -0.75 4.24 0.53 3.89 0.04 -1.26 -5.02 135.00 136.68 2k4h s PRO 124 Ca -0.08 2.02 -0.06 0.00 0.04 0.00 0.00 61.00 62.91 2k4h s PRO 124 Cb -0.03 -3.69 -0.03 0.00 0.04 0.00 0.00 34.50 30.79 2k4h s PRO 124 CO 0.05 -0.67 0.86 0.99 0.04 0.00 0.00 177.00 178.26 2k4h s THR 125 N 2.93 4.59 0.05 1.26 2.01 -1.26 -5.09 115.64 120.13 2k4h s THR 125 Ca 0.66 0.28 0.05 0.00 0.31 0.00 0.00 61.69 62.99 2k4h s THR 125 Cb -0.31 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 2k4h s THR 125 CO 0.26 -0.82 -0.07 0.00 -0.69 0.00 0.00 174.62 173.31 2k4h s ALA 126 N -2.88 3.04 -1.08 7.40 0.00 -1.26 -5.04 121.76 121.94 2k4h s ALA 126 Ca 0.50 -1.11 -0.23 0.00 0.00 0.00 0.00 51.96 51.12 2k4h s ALA 126 Cb -0.10 -1.06 -0.07 0.00 0.00 0.00 0.00 23.12 21.88 2k4h s ALA 126 CO 0.47 0.64 1.94 -1.25 0.00 0.00 0.00 175.76 177.55 2k4h s PRO 127 N -1.81 2.52 -0.66 0.00 0.04 -1.26 -4.80 135.00 129.04 2k4h s PRO 127 Ca 0.20 -0.84 0.04 0.00 0.04 0.00 0.00 61.00 60.44 2k4h s PRO 127 Cb -0.11 -5.18 0.31 0.00 0.04 0.00 0.00 34.50 29.56 2k4h s PRO 127 CO 0.11 -3.75 0.99 -1.13 0.04 0.00 0.00 177.00 173.26 2k4h n SER 128 N 14.21 4.63 -3.21 6.66 3.41 -1.26 -4.93 113.62 133.14 2k4h n SER 128 Ca 0.43 -3.61 -0.00 0.00 -0.26 0.00 0.00 58.87 55.43 2k4h n SER 128 Cb 0.47 -0.68 -0.02 0.00 -0.26 0.00 0.00 64.21 63.72 2k4h n SER 128 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2k4h s SER 129 N -2.94 -1.05 0.37 4.04 0.01 -1.26 -5.16 113.70 107.72 2k4h s SER 129 Ca 0.45 -0.22 -0.06 0.00 1.31 0.00 0.00 55.95 57.43 2k4h s SER 129 Cb 0.22 1.75 0.02 0.00 0.21 0.00 0.00 66.02 68.23 2k4h s SER 129 CO -0.09 -0.28 0.58 -1.83 0.41 0.00 0.00 173.24 172.03 2k4h s GLU 130 N 2.50 2.06 0.41 12.44 1.03 -1.26 -5.19 118.70 130.69 2k4h s GLU 130 Ca 0.11 -1.70 0.06 0.00 0.03 0.00 0.00 54.97 53.48 2k4h s GLU 130 Cb -0.10 0.50 0.06 0.00 -0.80 0.00 0.00 34.13 33.80 2k4h s GLU 130 CO -0.22 -0.89 0.54 1.17 -1.33 0.00 0.00 175.26 174.52 2k4h n LYS 131 N -0.57 0.74 0.00 -4.83 4.81 -1.26 -5.11 118.16 111.95 2k4h n LYS 131 Ca -0.02 -2.25 0.00 0.00 -0.87 0.00 0.00 58.31 55.17 2k4h n LYS 131 Cb 0.61 -0.12 0.00 0.00 0.02 0.00 0.00 35.03 35.54 2k4h n LYS 131 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2k4h n GLY 132 N 0.01 0.60 3.72 3.14 0.00 -1.26 -5.11 105.19 106.30 2k4h n GLY 132 Ca 0.10 0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2k4h n GLY 132 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k4h s GLY 133 N -0.27 1.80 -0.37 -0.02 0.00 -1.26 -4.90 107.32 102.31 2k4h s GLY 133 Ca 0.00 1.28 0.12 0.00 0.00 0.00 0.00 44.72 46.11 2k4h s GLY 133 CO 0.00 2.48 1.37 -2.01 0.00 0.00 0.00 173.10 174.94 2k4h n ASN 134 N 3.74 -1.32 0.00 1.64 2.85 -1.26 -5.32 115.26 115.60 2k4h n ASN 134 Ca 0.12 -2.39 0.08 0.00 -0.11 0.00 0.00 54.58 52.27 2k4h n ASN 134 Cb 0.40 0.71 0.45 0.00 1.24 0.00 0.00 39.78 42.59 2k4h n ASN 134 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93