#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4h h ALA 3 N 0.00 -1.01 -2.85 4.61 0.00 -2.07 -3.47 119.26 114.47 2k4h h ALA 3 Ca 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 2k4h h ALA 3 Cb 0.00 0.49 -0.09 0.00 0.00 0.00 0.00 17.79 18.19 2k4h h ALA 3 CO 0.00 -1.08 -0.04 0.50 0.00 0.00 0.00 179.25 178.63 2k4h s ARG 4 N -6.00 1.51 -0.06 0.00 3.52 -1.26 -5.08 118.95 111.59 2k4h s ARG 4 Ca -0.18 -1.10 0.01 0.00 -0.13 0.00 0.00 55.73 54.33 2k4h s ARG 4 Cb 0.04 0.50 -0.04 0.00 -1.56 0.00 0.00 34.95 33.88 2k4h s ARG 4 CO 0.62 -0.64 -0.03 -1.71 -0.81 0.00 0.00 175.30 172.72 2k4h n ASN 5 N -0.37 3.62 -4.36 -2.12 5.15 -1.26 -4.88 115.26 111.04 2k4h n ASN 5 Ca -0.05 -0.02 -0.46 0.00 -0.60 0.00 0.00 54.58 53.45 2k4h n ASN 5 Cb 0.62 0.09 -0.02 0.00 -0.53 0.00 0.00 39.78 39.94 2k4h n ASN 5 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2k4h s SER 6 N -4.31 6.76 -0.21 1.20 0.01 -1.26 -4.77 113.70 111.12 2k4h s SER 6 Ca -0.06 -2.58 0.04 0.00 1.31 0.00 0.00 55.95 54.65 2k4h s SER 6 Cb 0.02 -2.26 -0.15 0.00 0.21 0.00 0.00 66.02 63.84 2k4h s SER 6 CO 0.15 -0.68 -0.14 0.52 0.41 0.00 0.00 173.24 173.51 2k4h n VAL 7 N 4.28 1.22 -1.27 3.43 0.31 -1.26 -5.00 118.33 120.03 2k4h n VAL 7 Ca 0.17 -0.52 -0.35 0.00 -0.01 0.00 0.00 64.34 63.63 2k4h n VAL 7 Cb 0.47 -1.11 0.10 0.00 -0.91 0.00 0.00 33.84 32.38 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 -3.02 3.34 0.00 7.52 4.77 -1.26 -5.02 117.00 123.32 2k4h n LEU 8 Ca -0.36 0.63 -0.19 0.00 -0.03 0.00 0.00 56.01 56.05 2k4h n LEU 8 Cb 0.94 -1.41 0.09 0.00 -2.33 0.00 0.00 43.42 40.71 2k4h n LEU 8 CO 0.25 -2.12 0.43 -1.14 -1.33 0.00 0.00 177.39 173.48 2k4h n ARG 9 N -2.07 0.25 -0.03 3.23 0.63 -1.26 -5.01 116.66 112.39 2k4h n ARG 9 Ca 0.13 -2.62 -0.02 0.00 -0.92 0.00 0.00 57.85 54.41 2k4h n ARG 9 Cb 0.50 -0.44 -0.01 0.00 0.45 0.00 0.00 32.46 32.96 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 -0.27 0.00 1.00 5.14 0.00 -1.98 -3.18 103.07 103.77 2k4h h GLY 10 Ca -0.28 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 2k4h h GLY 10 CO 0.33 0.00 0.37 0.50 0.00 0.00 0.00 176.54 177.74 2k4h h LYS 11 N -0.50 0.88 -0.81 4.80 6.56 -2.01 -2.59 116.57 122.90 2k4h h LYS 11 Ca 0.00 -0.09 -0.04 0.00 -1.06 0.00 0.00 60.65 59.45 2k4h h LYS 11 Cb 0.24 -0.18 -0.04 0.00 -0.57 0.00 0.00 32.23 31.68 2k4h h LYS 11 CO 0.00 0.65 0.34 0.87 -2.06 0.00 0.00 179.45 179.25 2k4h h LYS 12 N 0.87 1.21 -0.71 3.15 6.56 -2.00 -2.36 116.57 123.29 2k4h h LYS 12 Ca 0.23 -0.21 0.17 0.00 -1.06 0.00 0.00 60.65 59.77 2k4h h LYS 12 Cb 0.01 -0.20 -0.04 0.00 -0.57 0.00 0.00 32.23 31.43 2k4h h LYS 12 CO -0.04 0.97 0.49 0.00 -2.06 0.00 0.00 179.45 178.81 2k4h h ALA 13 N 1.18 2.33 0.00 3.86 0.00 -1.44 0.31 119.26 125.50 2k4h h ALA 13 Ca 0.27 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2k4h h ALA 13 Cb 0.20 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2k4h h ALA 13 CO -0.02 -0.53 -0.07 0.22 0.00 0.00 0.00 179.25 178.85 2k4h h ASP 14 N 0.24 0.00 0.11 0.00 1.82 -1.33 0.33 116.42 117.59 2k4h h ASP 14 Ca 0.35 0.00 -0.36 0.00 -0.39 0.00 0.00 57.03 56.63 2k4h h ASP 14 Cb 1.03 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 40.98 2k4h h ASP 14 CO -0.08 0.07 -2.23 -0.62 -1.61 0.00 0.00 179.24 174.77 2k4h n GLU 15 N -3.90 0.68 0.05 0.28 -0.58 0.92 -3.58 120.64 114.50 2k4h n GLU 15 Ca -0.03 0.12 -0.10 0.00 -0.42 0.00 0.00 57.16 56.73 2k4h n GLU 15 Cb 0.16 -1.59 0.02 0.00 -0.57 0.00 0.00 31.44 29.46 2k4h n GLU 15 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2k4h h LEU 16 N 0.01 0.49 0.00 -4.62 7.12 -0.71 -2.86 115.31 114.74 2k4h h LEU 16 Ca -0.49 -0.32 0.00 0.00 0.13 0.00 0.00 57.88 57.19 2k4h h LEU 16 Cb 2.10 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 42.08 2k4h h LEU 16 CO 0.02 1.07 -0.17 1.21 -0.13 0.00 0.00 178.44 180.43 2k4h n GLU 17 N -3.83 0.10 0.03 1.25 2.13 0.11 -3.76 120.64 116.67 2k4h n GLU 17 Ca -0.04 0.06 -0.21 0.00 0.66 0.00 0.00 57.16 57.63 2k4h n GLU 17 Cb 0.71 -1.59 -0.14 0.00 0.27 0.00 0.00 31.44 30.68 2k4h n GLU 17 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k4h h ARG 18 N 0.00 0.28 -6.56 5.31 3.08 -1.58 -3.42 114.38 111.49 2k4h h ARG 18 Ca 0.00 -0.48 -0.59 0.00 0.07 0.00 0.00 59.98 58.98 2k4h h ARG 18 Cb 0.59 0.18 0.09 0.00 0.08 0.00 0.00 29.97 30.91 2k4h h ARG 18 CO 0.00 1.23 0.44 -0.89 -1.07 0.00 0.00 179.97 179.68 2k4h n ILE 19 N -4.03 1.40 -3.90 2.04 5.41 -1.09 -4.93 119.36 114.27 2k4h n ILE 19 Ca -0.19 -0.35 -0.36 0.00 1.00 0.00 0.00 62.75 62.84 2k4h n ILE 19 Cb 0.87 -1.31 -0.06 0.00 -0.71 0.00 0.00 39.64 38.43 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 -0.99 3.42 0.60 0.38 3.00 -1.18 -3.10 118.95 121.09 2k4h s ARG 20 Ca 0.64 -0.16 0.35 0.00 0.00 0.00 0.00 55.73 56.56 2k4h s ARG 20 Cb -0.67 -3.17 1.91 0.00 0.00 0.00 0.00 34.95 33.02 2k4h s ARG 20 CO 0.55 0.76 2.22 -0.07 0.00 0.00 0.00 175.30 178.77 2k4h h LEU 21 N 4.85 0.00 -8.47 2.53 3.38 -1.12 -0.29 115.31 116.19 2k4h h LEU 21 Ca -0.54 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.19 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 0.59 0.03 -0.70 -0.13 0.09 0.00 0.00 178.44 178.32 2k4h s ARG 22 N -4.24 0.86 0.27 1.13 3.00 -1.26 -4.33 118.95 114.38 2k4h s ARG 22 Ca -0.04 -1.34 0.05 0.00 0.00 0.00 0.00 55.73 54.40 2k4h s ARG 22 Cb 0.13 -0.27 0.37 0.00 0.00 0.00 0.00 34.95 35.18 2k4h s ARG 22 CO 0.51 -0.00 1.65 -1.00 0.00 0.00 0.00 175.30 176.45 2k4h h PRO 23 N 2.97 0.29 -0.03 3.54 0.13 -1.93 -3.22 132.00 133.76 2k4h h PRO 23 Ca -0.35 -0.15 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 2k4h h PRO 23 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 2k4h h PRO 23 CO 0.64 0.69 -0.18 0.41 -0.23 0.00 0.00 178.00 179.33 2k4h n GLY 24 N -0.06 4.94 3.92 1.56 0.00 -1.26 -5.00 105.19 109.30 2k4h n GLY 24 Ca -0.02 -1.20 -0.25 0.00 0.00 0.00 0.00 46.02 44.55 2k4h n GLY 24 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k4h s GLY 25 N -2.95 2.27 0.00 -0.02 0.00 -1.22 -5.05 107.32 100.36 2k4h s GLY 25 Ca 0.35 -1.41 0.00 0.00 0.00 0.00 0.00 44.72 43.67 2k4h s GLY 25 CO -0.00 -1.90 0.94 0.58 0.00 0.00 0.00 173.10 172.72 2k4h n LYS 26 N -1.84 2.61 -2.89 2.90 0.00 -1.26 -4.83 118.16 112.85 2k4h n LYS 26 Ca 0.01 -1.38 -0.41 0.00 -0.00 0.00 0.00 58.31 56.54 2k4h n LYS 26 Cb 0.64 -0.95 -0.04 0.00 -0.00 0.00 0.00 35.03 34.67 2k4h n LYS 26 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2k4h s LYS 27 N -0.88 4.50 0.09 -1.58 2.47 -1.26 -5.00 119.74 118.09 2k4h s LYS 27 Ca 0.00 1.14 0.05 0.00 -1.56 0.00 0.00 55.97 55.60 2k4h s LYS 27 Cb 0.00 -3.44 -0.04 0.00 -1.46 0.00 0.00 37.83 32.89 2k4h s LYS 27 CO 0.00 0.06 0.00 0.15 0.16 0.00 0.00 175.35 175.72 2k4h s LYS 28 N 0.72 2.56 0.42 4.03 1.02 -1.26 -0.50 119.74 126.73 2k4h s LYS 28 Ca 0.44 -0.84 -0.26 0.00 0.02 0.00 0.00 55.97 55.32 2k4h s LYS 28 Cb -0.20 -2.54 -0.09 0.00 -0.52 0.00 0.00 37.83 34.48 2k4h s LYS 28 CO 0.23 0.54 1.42 0.71 -0.92 0.00 0.00 175.35 177.33 2k4h s TYR 29 N -1.32 2.57 0.25 3.18 2.02 -1.18 -4.87 117.35 118.00 2k4h s TYR 29 Ca 0.26 1.26 -0.12 0.00 -0.37 0.00 0.00 57.07 58.10 2k4h s TYR 29 Cb -0.12 -3.91 -0.00 0.00 -0.40 0.00 0.00 41.96 37.53 2k4h s TYR 29 CO 0.18 -2.80 0.47 0.50 -1.57 0.00 0.00 175.55 172.34 2k4h s ARG 30 N -2.29 1.56 0.47 -0.62 6.06 -1.26 -4.52 118.95 118.35 2k4h s ARG 30 Ca 0.58 -1.27 0.27 0.00 -2.50 0.00 0.00 55.73 52.81 2k4h s ARG 30 Cb -0.44 0.47 1.33 0.00 0.06 0.00 0.00 34.95 36.37 2k4h s ARG 30 CO 0.57 -0.65 1.79 -0.07 -2.50 0.00 0.00 175.30 174.44 2k4h h LEU 31 N 2.26 0.22 -1.40 -0.88 4.07 -1.99 0.28 115.31 117.86 2k4h h LEU 31 Ca -0.26 0.04 0.23 0.00 0.08 0.00 0.00 57.88 57.97 2k4h h LEU 31 Cb 1.25 0.01 -0.08 0.00 1.08 0.00 0.00 40.66 42.92 2k4h h LEU 31 CO 0.36 0.03 0.63 0.50 -1.08 0.00 0.00 178.44 178.88 2k4h h LYS 32 N 0.19 0.43 0.02 1.13 3.64 -1.98 0.16 116.57 120.16 2k4h h LYS 32 Ca 0.58 -0.03 -0.24 0.00 -1.27 0.00 0.00 60.65 59.69 2k4h h LYS 32 Cb 1.88 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 33.57 2k4h h LYS 32 CO -0.16 0.29 -1.20 0.45 -2.27 0.00 0.00 179.45 176.55 2k4h h HIS 33 N 0.45 0.09 -0.24 1.91 3.86 -0.85 -3.20 115.15 117.16 2k4h h HIS 33 Ca 0.53 -0.06 -0.20 0.00 -1.16 0.00 0.00 60.37 59.48 2k4h h HIS 33 Cb 1.28 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.75 2k4h h HIS 33 CO -0.00 1.06 -0.62 0.82 0.86 0.00 0.00 177.93 180.05 2k4h h ILE 34 N 0.01 1.28 -0.03 2.45 2.04 -0.73 -2.87 117.51 119.65 2k4h h ILE 34 Ca -0.09 -1.81 -0.00 0.00 1.00 0.00 0.00 64.86 63.96 2k4h h ILE 34 Cb 1.86 1.76 -0.00 0.00 -0.74 0.00 0.00 36.82 39.69 2k4h h ILE 34 CO 0.13 0.58 0.02 0.58 0.00 0.00 0.00 178.15 179.46 2k4h h VAL 35 N 0.61 1.05 0.00 1.67 2.07 -0.98 0.06 116.25 120.73 2k4h h VAL 35 Ca -0.01 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 2k4h h VAL 35 Cb 1.24 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 32.08 2k4h h VAL 35 CO 0.13 0.04 -0.00 -0.25 0.02 0.00 0.00 177.57 177.51 2k4h h TRP 36 N -0.00 0.00 -0.00 1.57 7.01 -1.60 -2.30 115.95 120.62 2k4h h TRP 36 Ca 0.01 0.00 -0.08 0.00 2.11 0.00 0.00 58.89 60.93 2k4h h TRP 36 Cb 0.04 0.00 0.01 0.00 -2.10 0.00 0.00 29.16 27.11 2k4h h TRP 36 CO -0.06 0.00 -0.30 0.00 -2.79 0.00 0.00 178.44 175.29 2k4h h ALA 37 N 2.00 0.04 -0.86 2.65 0.00 -1.18 -3.28 119.26 118.63 2k4h h ALA 37 Ca -0.00 -0.48 0.12 0.00 0.00 0.00 0.00 54.91 54.54 2k4h h ALA 37 Cb 0.00 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 2k4h h ALA 37 CO 0.00 0.12 0.56 0.00 0.00 0.00 0.00 179.25 179.93 2k4h h ALA 38 N 0.27 1.75 -0.24 0.00 0.00 -0.58 0.32 119.26 120.78 2k4h h ALA 38 Ca -0.04 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.92 2k4h h ALA 38 Cb 1.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2k4h h ALA 38 CO 0.06 0.04 0.17 -0.97 0.00 0.00 0.00 179.25 178.55 2k4h h ASN 39 N 0.76 0.12 -0.09 0.00 -1.24 -1.48 -2.09 115.58 111.55 2k4h h ASN 39 Ca 0.41 -0.00 -0.13 0.00 0.71 0.00 0.00 56.30 57.29 2k4h h ASN 39 Cb 0.55 -0.03 0.01 0.00 0.73 0.00 0.00 38.32 39.57 2k4h h ASN 39 CO -0.18 0.08 -0.45 0.50 -1.29 0.00 0.00 177.43 176.10 2k4h h LYS 40 N 0.14 0.46 -0.46 6.67 1.63 -1.02 -3.11 116.57 120.89 2k4h h LYS 40 Ca 0.11 -0.38 0.13 0.00 -0.85 0.00 0.00 60.65 59.66 2k4h h LYS 40 Cb 0.25 0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.94 2k4h h LYS 40 CO -0.02 1.01 0.43 -0.07 -3.45 0.00 0.00 179.45 177.36 2k4h h LEU 41 N 0.03 0.00 -0.00 5.20 3.38 -1.15 -1.14 115.31 121.62 2k4h h LEU 41 Ca -0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2k4h h LEU 41 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2k4h h LEU 41 CO 0.09 0.00 -0.00 0.44 0.09 0.00 0.00 178.44 179.06 2k4h h ASP 42 N 0.00 0.00 -0.41 -0.43 5.19 -1.45 0.31 116.42 119.63 2k4h h ASP 42 Ca 0.22 -0.71 0.12 0.00 -0.62 0.00 0.00 57.03 56.03 2k4h h ASP 42 Cb 1.08 -0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.57 2k4h h ASP 42 CO -0.00 0.71 0.53 0.03 -3.12 0.00 0.00 179.24 177.39 2k4h h ARG 43 N -0.71 0.00 0.00 3.56 2.47 -1.19 -1.62 114.38 116.90 2k4h h ARG 43 Ca -0.00 0.00 -0.41 0.00 -1.26 0.00 0.00 59.98 58.31 2k4h h ARG 43 Cb 0.71 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.97 2k4h h ARG 43 CO 0.00 0.00 -2.47 1.19 0.56 0.00 0.00 179.97 179.25 2k4h n PHE 44 N -3.51 0.06 0.00 3.04 3.72 -1.10 -5.05 117.46 114.63 2k4h n PHE 44 Ca 0.08 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.49 2k4h n PHE 44 Cb 0.69 -1.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.23 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 1.95 4.30 3.40 1.37 0.00 0.10 -5.12 105.19 111.21 2k4h n GLY 45 Ca -0.48 -0.83 -0.45 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.14 -4.75 0.99 4.32 -0.69 -4.76 117.00 110.97 2k4h n LEU 46 Ca 0.00 1.03 -0.40 0.00 -0.02 0.00 0.00 56.01 56.62 2k4h n LEU 46 Cb 0.00 -0.99 -0.05 0.00 -1.62 0.00 0.00 43.42 40.76 2k4h n LEU 46 CO 0.00 -3.09 0.76 0.00 -1.22 0.00 0.00 177.39 173.84 2k4h s ALA 47 N -1.23 3.38 -0.04 -1.18 0.00 -1.26 -4.04 121.76 117.39 2k4h s ALA 47 Ca 0.62 0.81 0.31 0.00 0.00 0.00 0.00 51.96 53.70 2k4h s ALA 47 Cb -0.79 -3.30 1.17 0.00 0.00 0.00 0.00 23.12 20.19 2k4h s ALA 47 CO 0.58 -0.08 1.90 1.05 0.00 0.00 0.00 175.76 179.21 2k4h h GLU 48 N 4.18 0.00 0.00 0.00 4.11 -1.89 -2.70 114.58 118.28 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 0.68 0.00 0.00 0.45 0.07 0.00 0.00 179.01 180.21 2k4h n SER 49 N -3.02 0.00 -0.03 3.06 2.88 -1.26 -1.95 113.62 113.30 2k4h n SER 49 Ca 0.01 0.47 0.15 0.00 -1.33 0.00 0.00 58.87 58.18 2k4h n SER 49 Cb 0.34 -0.49 0.87 0.00 -0.75 0.00 0.00 64.21 64.19 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 0.09 -0.07 2.46 4.77 -1.02 -3.25 117.00 118.50 2k4h n LEU 50 Ca 0.03 -0.03 0.14 0.00 -0.03 0.00 0.00 56.01 56.12 2k4h n LEU 50 Cb 0.15 -0.00 0.78 0.00 -2.33 0.00 0.00 43.42 42.02 2k4h n LEU 50 CO 0.12 0.02 1.01 0.18 -1.33 0.00 0.00 177.39 177.38 2k4h n LEU 51 N -0.90 0.22 -1.52 2.23 4.77 -0.82 -3.30 117.00 117.67 2k4h n LEU 51 Ca 0.22 -0.08 -0.14 0.00 -0.03 0.00 0.00 56.01 55.99 2k4h n LEU 51 Cb 0.12 -0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.31 2k4h n LEU 51 CO 0.17 0.04 0.45 -1.84 -1.33 0.00 0.00 177.39 174.88 2k4h n GLU 52 N -0.77 2.66 -3.64 3.23 0.28 -1.20 -4.98 120.64 116.21 2k4h n GLU 52 Ca 0.21 -3.68 -0.08 0.00 -0.16 0.00 0.00 57.16 53.45 2k4h n GLU 52 Cb 0.13 -2.02 -0.07 0.00 1.43 0.00 0.00 31.44 30.91 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 -3.13 -0.57 0.12 -1.84 1.04 -1.22 -5.05 113.70 103.04 2k4h s SER 53 Ca 0.48 1.02 -0.21 0.00 0.48 0.00 0.00 55.95 57.71 2k4h s SER 53 Cb 0.41 1.12 -0.07 0.00 0.10 0.00 0.00 66.02 67.58 2k4h s SER 53 CO -0.00 -0.17 1.71 0.07 0.98 0.00 0.00 173.24 175.83 2k4h h LYS 54 N 5.20 -0.02 -0.49 4.02 2.10 -1.86 -1.40 116.57 124.12 2k4h h LYS 54 Ca -0.29 0.00 0.10 0.00 -2.00 0.00 0.00 60.65 58.46 2k4h h LYS 54 Cb 1.19 0.01 -0.08 0.00 -0.90 0.00 0.00 32.23 32.44 2k4h h LYS 54 CO 0.13 -0.02 -0.02 1.49 -2.00 0.00 0.00 179.45 179.03 2k4h h GLU 55 N -0.02 0.09 -0.80 0.07 4.22 -1.97 0.32 114.58 116.49 2k4h h GLU 55 Ca 0.06 -0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.49 2k4h h GLU 55 Cb 0.12 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 2k4h h GLU 55 CO -0.14 0.06 0.46 0.78 -2.18 0.00 0.00 179.01 177.98 2k4h h GLY 56 N 0.09 1.18 2.00 1.92 0.00 -1.66 -2.27 103.07 104.33 2k4h h GLY 56 Ca 0.25 -0.52 -0.10 0.00 0.00 0.00 0.00 47.33 46.96 2k4h h GLY 56 CO -0.43 0.50 -0.48 0.00 0.00 0.00 0.00 176.54 176.13 2k4h h GLN 58 N 0.00 0.75 0.00 0.00 4.15 0.18 -1.07 115.11 119.12 2k4h h GLN 58 Ca -0.00 -0.10 -0.00 0.00 0.77 0.00 0.00 58.65 59.31 2k4h h GLN 58 Cb 0.89 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 28.44 2k4h h GLN 58 CO 0.06 0.61 -0.01 0.87 -1.93 0.00 0.00 178.83 178.44 2k4h h LYS 59 N 0.71 0.00 0.24 1.69 1.79 -1.42 -2.80 116.57 116.77 2k4h h LYS 59 Ca 0.18 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 58.31 2k4h h LYS 59 Cb 0.10 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 30.78 2k4h h LYS 59 CO -0.02 0.01 -1.53 0.82 -1.08 0.00 0.00 179.45 177.64 2k4h h ILE 60 N 0.00 1.22 -0.43 1.86 2.04 -1.26 -3.06 117.51 117.88 2k4h h ILE 60 Ca -0.00 -2.68 -0.08 0.00 1.00 0.00 0.00 64.86 63.10 2k4h h ILE 60 Cb 0.50 2.99 -0.02 0.00 -0.74 0.00 0.00 36.82 39.55 2k4h h ILE 60 CO 0.00 0.82 -0.06 -0.07 0.00 0.00 0.00 178.15 178.84 2k4h h LEU 61 N 0.14 0.72 -0.89 1.44 3.38 -1.07 0.46 115.31 119.49 2k4h h LEU 61 Ca -0.27 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 57.39 2k4h h LEU 61 Cb 2.16 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.70 2k4h h LEU 61 CO 0.26 0.82 -0.51 0.00 0.09 0.00 0.00 178.44 179.10 2k4h h THR 62 N 0.68 1.36 0.03 0.22 1.03 -1.60 0.31 112.91 114.95 2k4h h THR 62 Ca 0.13 -1.77 -0.24 0.00 -0.01 0.00 0.00 66.41 64.51 2k4h h THR 62 Cb 0.51 1.91 -0.03 0.00 -1.07 0.00 0.00 68.15 69.47 2k4h h THR 62 CO 0.03 0.51 -1.22 0.58 -0.01 0.00 0.00 175.52 175.42 2k4h h VAL 63 N 0.08 1.48 0.00 0.00 2.07 -1.36 -3.31 116.25 115.20 2k4h h VAL 63 Ca -0.00 -3.18 -0.10 0.00 0.82 0.00 0.00 66.70 64.24 2k4h h VAL 63 Cb 0.94 2.78 -0.02 0.00 -1.52 0.00 0.00 31.29 33.47 2k4h h VAL 63 CO 0.07 0.87 -0.95 -0.07 0.02 0.00 0.00 177.57 177.50 2k4h h LEU 64 N 0.02 0.00 0.35 2.57 3.38 -0.81 -3.29 115.31 117.52 2k4h h LEU 64 Ca -0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2k4h h LEU 64 Cb 1.87 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.60 2k4h h LEU 64 CO 0.14 0.40 -0.43 0.44 0.09 0.00 0.00 178.44 179.07 2k4h h ASP 65 N 0.00 -1.20 0.59 -0.43 3.32 -0.46 -1.96 116.42 116.28 2k4h h ASP 65 Ca -0.07 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2k4h h ASP 65 Cb 1.37 0.41 0.00 0.00 0.22 0.00 0.00 39.33 41.32 2k4h h ASP 65 CO 0.04 -0.54 0.00 -0.81 -1.72 0.00 0.00 179.24 176.21 2k4h n PRO 66 N -4.98 0.09 0.08 3.56 -0.04 -1.26 -2.25 135.00 130.20 2k4h n PRO 66 Ca -0.09 0.33 0.12 0.00 -0.04 0.00 0.00 63.50 63.82 2k4h n PRO 66 Cb 0.38 -1.67 0.46 0.00 -0.04 0.00 0.00 33.50 32.63 2k4h n PRO 66 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 2k4h n MET 67 N -1.83 0.16 0.41 0.54 1.56 -0.75 -3.70 117.12 113.51 2k4h n MET 67 Ca 0.03 0.22 -0.17 0.00 -0.27 0.00 0.00 57.70 57.51 2k4h n MET 67 Cb 0.19 -1.72 -0.08 0.00 2.15 0.00 0.00 33.22 33.75 2k4h n MET 67 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 2k4h h VAL 68 N 0.00 0.12 0.00 1.12 2.07 -1.28 -0.32 116.25 117.96 2k4h h VAL 68 Ca 0.00 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2k4h h VAL 68 Cb 0.55 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 2k4h h VAL 68 CO 0.00 0.01 0.00 -0.81 0.02 0.00 0.00 177.57 176.79 2k4h n PRO 69 N -5.49 0.25 -3.01 1.57 -0.04 -1.25 -3.41 135.00 123.63 2k4h n PRO 69 Ca -0.14 0.12 -0.15 0.00 -0.04 0.00 0.00 63.50 63.30 2k4h n PRO 69 Cb 0.42 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 2k4h n PRO 69 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2k4h n THR 70 N -1.24 0.07 -2.92 0.52 5.66 -1.07 -5.11 114.28 110.18 2k4h n THR 70 Ca 0.08 -3.73 0.00 0.00 -3.05 0.00 0.00 64.05 57.35 2k4h n THR 70 Cb 0.11 0.22 0.00 0.00 -1.55 0.00 0.00 70.33 69.11 2k4h n THR 70 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2k4h n GLY 71 N 0.20 3.44 2.23 1.09 0.00 -0.15 -4.76 105.19 107.23 2k4h n GLY 71 Ca 0.18 -1.17 -0.14 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.91 1.74 -0.01 1.61 3.41 -1.26 -5.02 113.62 113.18 2k4h n SER 72 Ca 0.00 -2.03 -0.09 0.00 -0.26 0.00 0.00 58.87 56.49 2k4h n SER 72 Cb 0.00 -0.10 0.06 0.00 -0.26 0.00 0.00 64.21 63.91 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 0.59 0.18 4.33 4.39 -2.00 -2.97 114.58 119.10 2k4h h GLU 73 Ca -0.19 -0.35 -0.01 0.00 0.34 0.00 0.00 59.36 59.15 2k4h h GLU 73 Cb 0.73 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 2k4h h GLU 73 CO 0.29 0.96 -0.09 -0.91 -1.16 0.00 0.00 179.01 178.10 2k4h h ASN 74 N 0.46 -0.21 -0.82 1.42 4.21 -2.01 -3.09 115.58 115.54 2k4h h ASN 74 Ca 0.02 -0.20 0.16 0.00 1.21 0.00 0.00 56.30 57.49 2k4h h ASN 74 Cb 1.06 0.05 -0.10 0.00 -1.12 0.00 0.00 38.32 38.21 2k4h h ASN 74 CO 0.10 0.09 0.38 0.25 -1.29 0.00 0.00 177.43 176.96 2k4h h LEU 75 N -0.51 0.41 -1.99 1.61 6.46 -1.96 0.25 115.31 119.57 2k4h h LEU 75 Ca -0.03 0.11 0.23 0.00 -0.12 0.00 0.00 57.88 58.07 2k4h h LEU 75 Cb 0.39 0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 40.35 2k4h h LEU 75 CO 0.04 0.14 0.59 0.11 -0.62 0.00 0.00 178.44 178.71 2k4h h LYS 76 N 0.52 0.00 -0.06 1.25 1.57 -1.43 0.76 116.57 119.18 2k4h h LYS 76 Ca 0.46 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 59.07 2k4h h LYS 76 Cb 0.71 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.03 2k4h h LYS 76 CO -0.40 0.00 -0.64 1.03 -0.57 0.00 0.00 179.45 178.86 2k4h h SER 77 N 0.00 0.67 -0.44 0.86 0.87 -0.52 -3.25 113.55 111.75 2k4h h SER 77 Ca 0.38 -0.69 -0.00 0.00 -1.23 0.00 0.00 61.79 60.25 2k4h h SER 77 Cb 1.56 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 63.30 2k4h h SER 77 CO -0.00 1.26 0.27 0.25 -0.53 0.00 0.00 176.83 178.08 2k4h h LEU 78 N 0.14 0.53 -0.92 2.23 5.85 -0.74 -1.43 115.31 120.98 2k4h h LEU 78 Ca -0.06 -0.06 0.19 0.00 0.84 0.00 0.00 57.88 58.79 2k4h h LEU 78 Cb 1.31 -0.13 -0.11 0.00 0.37 0.00 0.00 40.66 42.09 2k4h h LEU 78 CO 0.13 0.43 0.49 0.15 -0.34 0.00 0.00 178.44 179.30 2k4h h PHE 79 N 0.59 0.84 -0.09 1.25 3.57 -1.39 0.28 116.94 121.98 2k4h h PHE 79 Ca 0.16 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.60 2k4h h PHE 79 Cb -0.00 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.51 2k4h h PHE 79 CO -0.03 0.11 -0.32 -0.91 -2.23 0.00 0.00 178.31 174.93 2k4h h ASN 80 N 0.59 0.44 -0.79 0.41 4.21 -1.48 -3.21 115.58 115.75 2k4h h ASN 80 Ca 0.54 -0.62 0.03 0.00 1.21 0.00 0.00 56.30 57.46 2k4h h ASN 80 Cb 0.90 -0.13 -0.05 0.00 -1.12 0.00 0.00 38.32 37.93 2k4h h ASN 80 CO -0.43 0.99 0.51 0.74 -1.29 0.00 0.00 177.43 177.95 2k4h h THR 81 N -0.08 1.12 -0.23 2.81 2.02 -0.14 -2.75 112.91 115.67 2k4h h THR 81 Ca -0.01 -0.34 0.06 0.00 0.77 0.00 0.00 66.41 66.88 2k4h h THR 81 Cb 0.96 0.05 -0.06 0.00 -1.74 0.00 0.00 68.15 67.35 2k4h h THR 81 CO 0.07 0.18 -0.19 0.58 0.37 0.00 0.00 175.52 176.53 2k4h h VAL 82 N 0.99 0.49 -0.94 3.16 2.07 -0.54 -1.29 116.25 120.19 2k4h h VAL 82 Ca 0.32 0.00 0.28 0.00 0.82 0.00 0.00 66.70 68.11 2k4h h VAL 82 Cb 0.01 0.49 -0.15 0.00 -1.52 0.00 0.00 31.29 30.12 2k4h h VAL 82 CO -0.11 0.00 0.38 0.00 0.02 0.00 0.00 177.57 177.85 2k4h h VAL 84 N 0.25 1.18 0.70 0.00 2.07 -1.25 -1.63 116.25 117.56 2k4h h VAL 84 Ca 0.64 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.68 2k4h h VAL 84 Cb 1.37 0.48 0.01 0.00 -1.52 0.00 0.00 31.29 31.62 2k4h h VAL 84 CO -0.64 0.19 -0.34 0.40 0.02 0.00 0.00 177.57 177.20 2k4h h ILE 85 N 0.73 0.18 -0.77 4.57 1.08 -0.01 -2.83 117.51 120.44 2k4h h ILE 85 Ca 0.19 -0.23 0.18 0.00 -0.39 0.00 0.00 64.86 64.61 2k4h h ILE 85 Cb 0.03 0.22 -0.12 0.00 -3.07 0.00 0.00 36.82 33.89 2k4h h ILE 85 CO -0.03 0.02 0.19 -0.25 -0.69 0.00 0.00 178.15 177.38 2k4h h TRP 86 N -1.13 0.28 -0.25 1.37 7.01 -1.11 -0.72 115.95 121.39 2k4h h TRP 86 Ca -0.10 0.05 0.06 0.00 2.11 0.00 0.00 58.89 61.01 2k4h h TRP 86 Cb 0.75 -0.00 -0.07 0.00 -2.10 0.00 0.00 29.16 27.74 2k4h h TRP 86 CO -0.00 -0.12 -0.19 0.00 -2.79 0.00 0.00 178.44 175.34 2k4h h ILE 88 N -0.18 0.76 -0.00 0.00 2.04 -0.89 0.17 117.51 119.41 2k4h h ILE 88 Ca 0.14 -0.23 -0.20 0.00 1.00 0.00 0.00 64.86 65.57 2k4h h ILE 88 Cb 0.40 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 2k4h h ILE 88 CO -0.36 0.12 -0.87 0.45 0.00 0.00 0.00 178.15 177.49 2k4h h HIS 89 N 0.67 0.36 -0.31 1.37 3.86 -0.75 -3.13 115.15 117.22 2k4h h HIS 89 Ca 0.50 -0.19 -0.04 0.00 -1.16 0.00 0.00 60.37 59.48 2k4h h HIS 89 Cb 0.87 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 29.28 2k4h h HIS 89 CO -0.00 1.00 0.05 0.00 0.86 0.00 0.00 177.93 179.84 2k4h n ALA 90 N -2.48 3.30 -3.50 2.45 0.00 0.18 -4.73 120.51 115.73 2k4h n ALA 90 Ca -0.04 -0.99 -0.20 0.00 0.00 0.00 0.00 53.44 52.21 2k4h n ALA 90 Cb 0.80 -1.09 0.06 0.00 0.00 0.00 0.00 19.45 19.23 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 0.21 -3.98 -4.75 0.00 4.07 -0.80 -5.00 120.64 110.39 2k4h n GLU 91 Ca 0.16 0.72 -0.28 0.00 -0.06 0.00 0.00 57.16 57.70 2k4h n GLU 91 Cb 0.76 -5.37 -0.17 0.00 -0.06 0.00 0.00 31.44 26.60 2k4h n GLU 91 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 2k4h s GLU 92 N -5.37 2.23 -0.11 5.31 0.41 0.42 -5.01 118.70 116.58 2k4h s GLU 92 Ca 0.21 -0.59 0.01 0.00 -0.41 0.00 0.00 54.97 54.19 2k4h s GLU 92 Cb -0.04 -1.79 -0.02 0.00 -1.78 0.00 0.00 34.13 30.50 2k4h s GLU 92 CO 0.78 0.05 -0.14 0.15 -0.49 0.00 0.00 175.26 175.61 2k4h s LYS 93 N 0.64 3.19 0.01 1.61 3.01 -1.26 -3.84 119.74 123.10 2k4h s LYS 93 Ca -0.14 -0.70 0.05 0.00 -1.01 0.00 0.00 55.97 54.17 2k4h s LYS 93 Cb -0.16 -2.56 -0.02 0.00 -1.01 0.00 0.00 37.83 34.08 2k4h s LYS 93 CO 0.04 0.29 -0.14 0.14 0.51 0.00 0.00 175.35 176.19 2k4h s VAL 94 N 0.13 1.14 0.04 3.17 -7.23 -1.26 -5.03 120.40 111.37 2k4h s VAL 94 Ca -0.07 -0.81 -0.25 0.00 -1.81 0.00 0.00 61.98 59.05 2k4h s VAL 94 Cb -0.15 -0.99 -0.17 0.00 0.56 0.00 0.00 36.38 35.63 2k4h s VAL 94 CO 0.05 0.18 1.50 0.11 -0.31 0.00 0.00 175.10 176.62 2k4h h LYS 95 N 5.37 -0.10 -4.80 4.82 1.57 -1.97 -3.43 116.57 118.03 2k4h h LYS 95 Ca -0.36 0.01 -0.29 0.00 -1.87 0.00 0.00 60.65 58.13 2k4h h LYS 95 Cb 1.17 0.02 -0.18 0.00 0.08 0.00 0.00 32.23 33.32 2k4h h LYS 95 CO 0.46 0.13 -0.73 0.16 -0.57 0.00 0.00 179.45 178.91 2k4h s ASP 96 N -5.31 1.22 0.38 0.86 1.47 -1.26 -3.10 116.67 110.92 2k4h s ASP 96 Ca -0.14 -0.76 0.22 0.00 1.18 0.00 0.00 52.55 53.04 2k4h s ASP 96 Cb 0.04 0.03 1.29 0.00 -0.34 0.00 0.00 42.92 43.94 2k4h s ASP 96 CO 0.65 -0.28 1.62 0.74 0.68 0.00 0.00 175.17 178.58 2k4h h THR 97 N 3.76 0.14 -0.27 2.11 2.02 -1.23 0.29 112.91 119.73 2k4h h THR 97 Ca -0.37 -0.05 0.06 0.00 0.77 0.00 0.00 66.41 66.83 2k4h h THR 97 Cb 1.19 -0.01 -0.07 0.00 -1.74 0.00 0.00 68.15 67.52 2k4h h THR 97 CO 0.51 0.02 -0.19 -0.33 0.37 0.00 0.00 175.52 175.91 2k4h h GLU 98 N 0.14 -0.16 -0.06 6.66 4.39 -1.85 -0.47 114.58 123.22 2k4h h GLU 98 Ca 0.80 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 60.49 2k4h h GLU 98 Cb 2.17 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 30.85 2k4h h GLU 98 CO -0.60 -0.11 -0.07 0.78 -1.16 0.00 0.00 179.01 177.86 2k4h h GLY 99 N -0.17 0.09 1.00 -3.84 0.00 -0.83 -2.49 103.07 96.84 2k4h h GLY 99 Ca 0.15 -0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.39 2k4h h GLY 99 CO -0.37 0.04 0.21 0.00 0.00 0.00 0.00 176.54 176.42 2k4h h ALA 100 N 1.85 0.78 0.00 3.60 0.00 -0.83 -2.02 119.26 122.64 2k4h h ALA 100 Ca 0.02 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 2k4h h ALA 100 Cb 0.18 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2k4h h ALA 100 CO 0.01 0.42 -0.12 -0.22 0.00 0.00 0.00 179.25 179.34 2k4h h LYS 101 N 0.84 0.00 0.08 0.00 3.64 -0.94 -2.26 116.57 117.93 2k4h h LYS 101 Ca 0.19 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.30 2k4h h LYS 101 Cb 0.25 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 32.10 2k4h h LYS 101 CO -0.01 0.12 -1.12 0.37 -2.27 0.00 0.00 179.45 176.54 2k4h h GLN 102 N 0.00 0.62 -0.17 1.90 5.75 -1.20 -2.57 115.11 119.44 2k4h h GLN 102 Ca -0.00 -0.77 -0.05 0.00 -0.15 0.00 0.00 58.65 57.68 2k4h h GLN 102 Cb 0.51 0.24 -0.00 0.00 1.07 0.00 0.00 27.48 29.30 2k4h h GLN 102 CO 0.02 1.34 -0.09 0.82 -2.65 0.00 0.00 178.83 178.26 2k4h h ILE 103 N 0.24 1.32 -0.22 2.39 2.04 -1.17 -1.93 117.51 120.18 2k4h h ILE 103 Ca -0.16 -1.16 -0.00 0.00 1.00 0.00 0.00 64.86 64.54 2k4h h ILE 103 Cb 1.80 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 39.59 2k4h h ILE 103 CO 0.22 0.34 0.12 0.58 0.00 0.00 0.00 178.15 179.41 2k4h h VAL 104 N 0.03 1.11 0.36 1.67 2.07 -1.52 -1.92 116.25 118.05 2k4h h VAL 104 Ca 0.04 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 2k4h h VAL 104 Cb 0.58 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 2k4h h VAL 104 CO 0.03 0.11 -0.24 -0.09 0.02 0.00 0.00 177.57 177.39 2k4h h ARG 105 N 0.25 -0.57 -0.73 1.57 2.43 -1.48 0.22 114.38 116.06 2k4h h ARG 105 Ca 0.08 0.04 0.18 0.00 -0.81 0.00 0.00 59.98 59.46 2k4h h ARG 105 Cb 0.06 0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 2k4h h ARG 105 CO -0.01 -0.38 0.51 -0.09 -1.51 0.00 0.00 179.97 178.49 2k4h h ARG 106 N -0.59 0.22 0.05 0.20 1.12 -1.29 0.55 114.38 114.64 2k4h h ARG 106 Ca -0.04 -0.01 -0.23 0.00 -1.11 0.00 0.00 59.98 58.59 2k4h h ARG 106 Cb 0.49 -0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 30.39 2k4h h ARG 106 CO 0.03 0.14 -1.06 0.45 -3.11 0.00 0.00 179.97 176.43 2k4h h HIS 107 N 0.23 0.31 -0.05 2.20 3.86 -0.65 -3.22 115.15 117.83 2k4h h HIS 107 Ca 0.36 -0.21 -0.16 0.00 -1.16 0.00 0.00 60.37 59.20 2k4h h HIS 107 Cb 1.09 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.52 2k4h h HIS 107 CO -0.00 1.11 -0.69 -0.07 0.86 0.00 0.00 177.93 179.13 2k4h h LEU 108 N 0.07 0.27 -1.59 2.43 3.38 0.11 -2.50 115.31 117.49 2k4h h LEU 108 Ca -0.07 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 2k4h h LEU 108 Cb 1.76 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.42 2k4h h LEU 108 CO 0.16 0.88 -0.22 0.58 0.09 0.00 0.00 178.44 179.94 2k4h h VAL 109 N 0.16 0.85 0.00 1.22 2.07 -1.24 -0.39 116.25 118.92 2k4h h VAL 109 Ca -0.02 -0.83 -0.27 0.00 0.82 0.00 0.00 66.70 66.40 2k4h h VAL 109 Cb 1.24 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 32.46 2k4h h VAL 109 CO 0.11 0.21 -1.47 0.00 0.02 0.00 0.00 177.57 176.44 2k4h h ALA 110 N 1.78 0.62 0.00 1.67 0.00 -1.54 -3.34 119.26 118.46 2k4h h ALA 110 Ca -0.00 -1.28 -0.15 0.00 0.00 0.00 0.00 54.91 53.48 2k4h h ALA 110 Cb 0.48 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2k4h h ALA 110 CO 0.03 1.47 -0.70 1.49 0.00 0.00 0.00 179.25 181.53 2k4h h GLU 111 N 0.00 0.00 -0.28 0.00 4.57 -1.10 -3.21 114.58 114.56 2k4h h GLU 111 Ca -0.19 0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.07 2k4h h GLU 111 Cb 1.93 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.51 2k4h h GLU 111 CO 0.10 0.70 0.29 1.15 -1.18 0.00 0.00 179.01 180.07 2k4h h THR 112 N 0.00 0.48 -0.59 0.32 2.02 -1.19 -1.07 112.91 112.88 2k4h h THR 112 Ca -0.01 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.34 2k4h h THR 112 Cb 1.48 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 68.64 2k4h h THR 112 CO 0.09 0.00 0.51 1.23 0.37 0.00 0.00 175.52 177.72 2k4h h GLY 113 N 0.00 0.00 2.00 2.16 0.00 -1.75 0.23 103.07 105.72 2k4h h GLY 113 Ca 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.44 2k4h h GLY 113 CO -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 176.54 176.44 2k4h h THR 114 N 0.00 0.84 -0.99 4.70 1.03 -1.45 -1.77 112.91 115.27 2k4h h THR 114 Ca 0.28 -0.35 -0.55 0.00 -0.01 0.00 0.00 66.41 65.78 2k4h h THR 114 Cb 1.29 1.20 -0.30 0.00 -1.07 0.00 0.00 68.15 69.27 2k4h h THR 114 CO -0.00 0.09 0.70 0.00 -0.01 0.00 0.00 175.52 176.30 2k4h n ALA 115 N -2.42 5.74 -0.79 0.00 0.00 0.81 -4.48 120.51 119.38 2k4h n ALA 115 Ca -0.03 -3.00 -0.14 0.00 0.00 0.00 0.00 53.44 50.27 2k4h n ALA 115 Cb 0.18 -1.52 0.19 0.00 0.00 0.00 0.00 19.45 18.31 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 -1.09 2.54 -0.06 0.00 2.13 -0.67 -4.08 120.64 119.41 2k4h n GLU 116 Ca 0.60 -2.53 -0.03 0.00 0.66 0.00 0.00 57.16 55.87 2k4h n GLU 116 Cb 1.46 -2.02 -0.14 0.00 0.27 0.00 0.00 31.44 31.01 2k4h n GLU 116 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2k4h n LYS 117 N -0.56 0.96 -1.18 5.31 4.81 -1.26 -5.00 118.16 121.24 2k4h n LYS 117 Ca 0.44 -0.06 -0.35 0.00 -0.87 0.00 0.00 58.31 57.47 2k4h n LYS 117 Cb 1.38 -1.45 0.09 0.00 0.02 0.00 0.00 35.03 35.08 2k4h n LYS 117 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 2k4h n MET 118 N -2.48 0.24 -1.64 1.64 2.81 -1.26 -4.95 117.12 111.48 2k4h n MET 118 Ca -0.20 0.14 -0.33 0.00 -1.81 0.00 0.00 57.70 55.50 2k4h n MET 118 Cb 0.87 -2.06 0.06 0.00 -0.71 0.00 0.00 33.22 31.38 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 -3.32 2.67 0.28 0.03 0.04 -1.26 -5.06 135.00 128.38 2k4h s PRO 119 Ca 0.68 1.34 -0.20 0.00 0.04 0.00 0.00 61.00 62.86 2k4h s PRO 119 Cb -0.32 -1.94 0.06 0.00 0.04 0.00 0.00 34.50 32.34 2k4h s PRO 119 CO 0.56 -1.34 0.87 -1.54 0.04 0.00 0.00 177.00 175.58 2k4h s SER 120 N -2.78 -0.07 -0.58 6.66 1.04 -1.26 -5.09 113.70 111.63 2k4h s SER 120 Ca 0.66 -0.83 -0.30 0.00 0.48 0.00 0.00 55.95 55.96 2k4h s SER 120 Cb -0.20 0.69 -0.12 0.00 0.10 0.00 0.00 66.02 66.49 2k4h s SER 120 CO 0.45 -1.34 2.43 0.41 0.98 0.00 0.00 173.24 176.17 2k4h n THR 121 N -0.55 0.02 -3.96 2.02 -1.04 -1.26 -4.77 114.28 104.74 2k4h n THR 121 Ca -0.06 -0.44 0.02 0.00 -2.04 0.00 0.00 64.05 61.53 2k4h n THR 121 Cb 0.60 -1.90 0.01 0.00 -1.82 0.00 0.00 70.33 67.22 2k4h n THR 121 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2k4h n SER 122 N 12.83 -0.63 -4.76 8.00 2.88 -1.26 -5.15 113.62 125.54 2k4h n SER 122 Ca 0.46 -1.10 -0.37 0.00 -1.33 0.00 0.00 58.87 56.52 2k4h n SER 122 Cb 0.33 0.96 0.03 0.00 -0.75 0.00 0.00 64.21 64.78 2k4h n SER 122 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2k4h s ARG 123 N -2.01 3.22 0.67 -1.46 0.52 -1.26 -4.99 118.95 113.64 2k4h s ARG 123 Ca 0.17 1.98 -0.15 0.00 -0.52 0.00 0.00 55.73 57.21 2k4h s ARG 123 Cb -0.00 -2.17 0.01 0.00 0.52 0.00 0.00 34.95 33.30 2k4h s ARG 123 CO -0.01 -1.05 1.11 -1.25 0.02 0.00 0.00 175.30 174.12 2k4h s PRO 124 N -3.01 2.75 0.26 3.54 0.04 -1.26 -5.05 135.00 132.27 2k4h s PRO 124 Ca 0.72 1.37 -0.01 0.00 0.04 0.00 0.00 61.00 63.12 2k4h s PRO 124 Cb -0.34 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 2k4h s PRO 124 CO 0.39 -1.29 0.46 0.95 0.04 0.00 0.00 177.00 177.56 2k4h s THR 125 N -2.39 5.14 0.17 1.26 -4.23 -1.26 -5.10 115.64 109.23 2k4h s THR 125 Ca 0.66 -0.30 -0.06 0.00 -1.18 0.00 0.00 61.69 60.82 2k4h s THR 125 Cb -0.20 -3.76 -0.06 0.00 1.34 0.00 0.00 72.50 69.81 2k4h s THR 125 CO 0.43 -0.30 0.43 0.00 -0.54 0.00 0.00 174.62 174.64 2k4h s ALA 126 N -2.02 3.73 1.18 3.99 0.00 -1.26 -5.10 121.76 122.28 2k4h s ALA 126 Ca 0.40 -0.50 -0.18 0.00 0.00 0.00 0.00 51.96 51.67 2k4h s ALA 126 Cb -0.11 -2.20 0.27 0.00 0.00 0.00 0.00 23.12 21.09 2k4h s ALA 126 CO 0.31 0.60 1.11 -1.25 0.00 0.00 0.00 175.76 176.52 2k4h s PRO 127 N -2.78 -1.02 0.08 0.00 0.04 -1.26 -5.09 135.00 124.97 2k4h s PRO 127 Ca 0.43 0.01 0.03 0.00 0.04 0.00 0.00 61.00 61.51 2k4h s PRO 127 Cb -0.12 -1.61 -0.03 0.00 0.04 0.00 0.00 34.50 32.78 2k4h s PRO 127 CO 0.24 -3.59 -0.10 -1.12 0.04 0.00 0.00 177.00 172.47 2k4h s SER 128 N -3.83 1.33 0.39 6.66 0.01 -1.26 -5.15 113.70 111.84 2k4h s SER 128 Ca 0.70 -0.72 -0.09 0.00 1.31 0.00 0.00 55.95 57.16 2k4h s SER 128 Cb -0.11 0.01 -0.06 0.00 0.21 0.00 0.00 66.02 66.07 2k4h s SER 128 CO 0.56 -0.22 0.72 -0.55 0.41 0.00 0.00 173.24 174.16 2k4h s SER 129 N -2.12 6.48 -0.30 2.44 0.15 -1.26 -5.09 113.70 114.00 2k4h s SER 129 Ca 0.00 1.02 -0.13 0.00 0.70 0.00 0.00 55.95 57.54 2k4h s SER 129 Cb -0.06 -2.27 0.16 0.00 -1.71 0.00 0.00 66.02 62.14 2k4h s SER 129 CO 0.00 -0.37 0.92 -0.70 1.20 0.00 0.00 173.24 174.29 2k4h s GLU 130 N -3.88 0.34 -0.12 5.44 -6.30 -1.26 -5.16 118.70 107.76 2k4h s GLU 130 Ca 0.49 0.80 -0.07 0.00 -2.50 0.00 0.00 54.97 53.70 2k4h s GLU 130 Cb -0.10 0.48 0.05 0.00 0.00 0.00 0.00 34.13 34.55 2k4h s GLU 130 CO 0.32 -0.17 0.29 -1.59 0.02 0.00 0.00 175.26 174.13 2k4h s LYS 131 N 2.62 0.26 0.00 4.30 0.00 -1.26 -5.16 119.74 120.50 2k4h s LYS 131 Ca -0.01 0.59 0.00 0.00 0.00 0.00 0.00 55.97 56.55 2k4h s LYS 131 Cb -0.08 -0.08 0.00 0.00 0.00 0.00 0.00 37.83 37.67 2k4h s LYS 131 CO -0.17 -0.16 0.00 0.41 0.00 0.00 0.00 175.35 175.43 2k4h n GLY 132 N 4.17 2.97 0.95 0.59 0.00 -1.26 -5.07 105.19 107.55 2k4h n GLY 132 Ca -0.24 -1.03 0.01 0.00 0.00 0.00 0.00 46.02 44.76 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 0.74 3.60 -0.02 0.00 -1.26 -5.09 105.19 103.16 2k4h n GLY 133 Ca 0.00 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 2k4h n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k4h s ASN 134 N -1.36 -0.57 0.00 1.61 4.22 -1.26 -5.41 114.94 112.17 2k4h s ASN 134 Ca 0.14 0.94 0.19 0.00 -2.14 0.00 0.00 52.86 51.99 2k4h s ASN 134 Cb 0.17 0.89 1.13 0.00 1.28 0.00 0.00 41.25 44.72 2k4h s ASN 134 CO -0.07 -0.31 1.52 -1.22 -2.04 0.00 0.00 177.10 174.99