#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 0.00 -3.11 4.61 0.00 -1.26 -5.03 120.51 115.72 2k4h n ALA 3 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 2k4h n ALA 3 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.94 0.20 0.00 0.00 0.52 -1.26 -5.03 118.95 111.43 2k4h s ARG 4 Ca 0.00 0.16 0.00 0.00 -0.52 0.00 0.00 55.73 55.37 2k4h s ARG 4 Cb 0.00 0.08 0.00 0.00 0.52 0.00 0.00 34.95 35.55 2k4h s ARG 4 CO 0.00 -0.36 0.00 0.09 0.02 0.00 0.00 175.30 175.05 2k4h n ASN 5 N 4.99 0.00 -4.30 0.23 5.03 -1.26 -4.69 115.26 115.27 2k4h n ASN 5 Ca 0.09 0.00 -0.19 0.00 0.87 0.00 0.00 54.58 55.35 2k4h n ASN 5 Cb 0.58 0.00 -0.11 0.00 -1.02 0.00 0.00 39.78 39.23 2k4h n ASN 5 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 2k4h s SER 6 N -2.16 2.36 0.07 6.41 0.01 -1.26 -5.01 113.70 114.12 2k4h s SER 6 Ca 0.00 -0.90 -0.20 0.00 1.31 0.00 0.00 55.95 56.16 2k4h s SER 6 Cb 0.00 -0.11 -0.11 0.00 0.21 0.00 0.00 66.02 66.01 2k4h s SER 6 CO 0.00 -0.13 1.47 0.58 0.41 0.00 0.00 173.24 175.57 2k4h h VAL 7 N 3.10 1.28 -3.66 3.43 2.07 -1.96 -3.44 116.25 117.06 2k4h h VAL 7 Ca -0.40 -0.98 -0.42 0.00 0.82 0.00 0.00 66.70 65.72 2k4h h VAL 7 Cb 1.21 1.52 0.18 0.00 -1.52 0.00 0.00 31.29 32.68 2k4h h VAL 7 CO 0.55 0.30 0.24 -0.76 0.02 0.00 0.00 177.57 177.92 2k4h s LEU 8 N -9.41 1.42 1.31 2.57 1.43 -1.26 -5.00 118.68 109.74 2k4h s LEU 8 Ca -0.14 0.45 -0.20 0.00 -1.03 0.00 0.00 54.13 53.21 2k4h s LEU 8 Cb 0.06 -2.26 0.31 0.00 0.03 0.00 0.00 46.19 44.33 2k4h s LEU 8 CO 0.74 -3.68 0.71 0.54 0.23 0.00 0.00 176.35 174.90 2k4h n ARG 9 N -4.43 -3.76 0.07 1.70 1.74 -1.26 -4.68 116.66 106.03 2k4h n ARG 9 Ca 0.15 -1.11 -0.04 0.00 -0.77 0.00 0.00 57.85 56.08 2k4h n ARG 9 Cb 0.60 -1.83 -0.02 0.00 -1.02 0.00 0.00 32.46 30.19 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 -3.22 -0.27 0.57 -0.13 0.00 -1.95 -0.98 103.07 97.09 2k4h h GLY 10 Ca -0.40 0.10 0.15 0.00 0.00 0.00 0.00 47.33 47.18 2k4h h GLY 10 CO 0.26 -0.10 0.55 0.50 0.00 0.00 0.00 176.54 177.75 2k4h h LYS 11 N -0.91 0.51 -0.02 4.80 1.57 -2.02 -0.30 116.57 120.20 2k4h h LYS 11 Ca -0.03 -0.03 -0.23 0.00 -1.87 0.00 0.00 60.65 58.49 2k4h h LYS 11 Cb 0.20 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.40 2k4h h LYS 11 CO 0.04 0.34 -0.93 0.87 -0.57 0.00 0.00 179.45 179.20 2k4h h LYS 12 N 0.53 0.48 -0.92 3.15 6.56 -1.93 -3.22 116.57 121.21 2k4h h LYS 12 Ca 0.42 -0.49 0.17 0.00 -1.06 0.00 0.00 60.65 59.68 2k4h h LYS 12 Cb 0.84 0.14 -0.08 0.00 -0.57 0.00 0.00 32.23 32.55 2k4h h LYS 12 CO -0.16 1.14 0.59 0.00 -2.06 0.00 0.00 179.45 178.96 2k4h h ALA 13 N 0.69 1.89 0.60 3.86 0.00 0.38 -2.46 119.26 124.22 2k4h h ALA 13 Ca -0.08 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2k4h h ALA 13 Cb 1.56 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 2k4h h ALA 13 CO 0.17 -0.17 -0.34 0.22 0.00 0.00 0.00 179.25 179.12 2k4h h ASP 14 N 0.64 -0.86 -1.16 0.00 1.82 -1.51 -0.45 116.42 114.91 2k4h h ASP 14 Ca 0.48 0.04 0.33 0.00 -0.39 0.00 0.00 57.03 57.49 2k4h h ASP 14 Cb 0.88 0.24 -0.07 0.00 0.68 0.00 0.00 39.33 41.06 2k4h h ASP 14 CO -0.24 -0.54 0.80 -0.33 -1.61 0.00 0.00 179.24 177.32 2k4h h GLU 15 N -0.87 0.15 0.11 0.28 5.08 -1.59 0.38 114.58 118.12 2k4h h GLU 15 Ca -0.08 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 2k4h h GLU 15 Cb 0.69 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2k4h h GLU 15 CO 0.10 0.10 -0.05 1.25 -1.00 0.00 0.00 179.01 179.40 2k4h h LEU 16 N 0.16 -0.12 0.00 1.33 7.12 -1.00 -2.99 115.31 119.81 2k4h h LEU 16 Ca 0.61 -0.39 0.00 0.00 0.13 0.00 0.00 57.88 58.23 2k4h h LEU 16 Cb 2.03 0.03 0.00 0.00 -0.53 0.00 0.00 40.66 42.20 2k4h h LEU 16 CO -0.15 0.36 0.00 -0.62 -0.13 0.00 0.00 178.44 177.89 2k4h n GLU 17 N -4.93 0.06 0.10 1.25 1.02 0.02 -2.65 120.64 115.50 2k4h n GLU 17 Ca -0.09 0.17 -0.15 0.00 -0.02 0.00 0.00 57.16 57.08 2k4h n GLU 17 Cb 0.26 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.04 2k4h n GLU 17 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k4h h ARG 18 N 0.00 0.23 -6.54 3.49 3.08 -0.21 -3.41 114.38 111.02 2k4h h ARG 18 Ca 0.00 -0.40 -0.53 0.00 0.07 0.00 0.00 59.98 59.12 2k4h h ARG 18 Cb 0.28 0.15 0.03 0.00 0.08 0.00 0.00 29.97 30.51 2k4h h ARG 18 CO 0.00 1.18 0.93 0.42 -1.07 0.00 0.00 179.97 181.44 2k4h s ILE 19 N -2.66 2.77 0.03 2.04 1.01 -1.08 -4.94 121.20 118.36 2k4h s ILE 19 Ca -0.04 0.44 -0.17 0.00 0.00 0.00 0.00 60.65 60.89 2k4h s ILE 19 Cb 0.07 -3.28 -0.06 0.00 0.01 0.00 0.00 42.46 39.20 2k4h s ILE 19 CO 0.87 0.02 0.49 -0.13 0.00 0.00 0.00 174.94 176.19 2k4h s ARG 20 N 1.76 4.07 0.50 2.79 1.81 -0.94 -2.05 118.95 126.88 2k4h s ARG 20 Ca 0.72 0.58 0.20 0.00 -1.72 0.00 0.00 55.73 55.51 2k4h s ARG 20 Cb -0.42 -3.23 1.27 0.00 -0.45 0.00 0.00 34.95 32.11 2k4h s ARG 20 CO 0.32 0.65 2.01 -0.07 -0.68 0.00 0.00 175.30 177.53 2k4h h LEU 21 N 4.67 0.11 -8.41 2.53 3.38 -1.04 0.26 115.31 116.81 2k4h h LEU 21 Ca -0.50 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.26 2k4h h LEU 21 Cb 1.22 -0.02 -0.15 0.00 0.09 0.00 0.00 40.66 41.80 2k4h h LEU 21 CO 0.63 0.07 -0.69 -0.13 0.09 0.00 0.00 178.44 178.40 2k4h s ARG 22 N -5.14 0.80 0.27 1.13 0.52 -1.26 -4.06 118.95 111.21 2k4h s ARG 22 Ca -0.06 -1.32 0.05 0.00 -0.52 0.00 0.00 55.73 53.89 2k4h s ARG 22 Cb 0.19 -0.12 0.37 0.00 0.52 0.00 0.00 34.95 35.91 2k4h s ARG 22 CO 0.73 -0.04 1.65 -1.00 0.02 0.00 0.00 175.30 176.66 2k4h h PRO 23 N 2.99 0.27 -0.15 3.54 0.13 -1.93 -3.18 132.00 133.67 2k4h h PRO 23 Ca -0.35 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2k4h h PRO 23 Cb 1.16 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2k4h h PRO 23 CO 0.65 0.68 0.00 0.41 -0.23 0.00 0.00 178.00 179.51 2k4h n GLY 24 N -0.04 4.27 0.00 1.56 0.00 -1.26 -5.03 105.19 104.70 2k4h n GLY 24 Ca -0.02 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.84 1.52 0.00 -0.02 0.00 -1.20 -5.05 105.19 99.60 2k4h n GLY 25 Ca 0.18 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 44.13 2k4h n GLY 25 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k4h n LYS 26 N -0.92 0.62 -3.90 1.61 4.81 -1.26 -4.92 118.16 114.19 2k4h n LYS 26 Ca 0.00 -0.67 -0.34 0.00 -0.87 0.00 0.00 58.31 56.43 2k4h n LYS 26 Cb 0.00 -0.63 -0.05 0.00 0.02 0.00 0.00 35.03 34.37 2k4h n LYS 26 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2k4h s LYS 27 N -0.22 3.44 0.33 1.64 1.02 -1.26 -5.03 119.74 119.66 2k4h s LYS 27 Ca 0.00 -0.29 0.09 0.00 0.02 0.00 0.00 55.97 55.80 2k4h s LYS 27 Cb 0.00 -3.11 -0.06 0.00 -0.52 0.00 0.00 37.83 34.14 2k4h s LYS 27 CO 0.00 0.70 -0.03 0.15 -0.92 0.00 0.00 175.35 175.25 2k4h s LYS 28 N -1.76 2.00 0.54 1.68 1.02 -1.26 -0.43 119.74 121.52 2k4h s LYS 28 Ca 0.25 -1.78 -0.21 0.00 0.02 0.00 0.00 55.97 54.25 2k4h s LYS 28 Cb -0.12 -1.88 -0.05 0.00 -0.52 0.00 0.00 37.83 35.26 2k4h s LYS 28 CO 0.16 0.16 1.26 0.71 -0.92 0.00 0.00 175.35 176.71 2k4h s TYR 29 N -2.53 2.48 0.26 3.18 2.02 -0.87 -4.76 117.35 117.13 2k4h s TYR 29 Ca 0.34 1.46 -0.13 0.00 -0.37 0.00 0.00 57.07 58.38 2k4h s TYR 29 Cb -0.00 -3.59 -0.00 0.00 -0.40 0.00 0.00 41.96 37.97 2k4h s TYR 29 CO 0.18 -2.30 0.49 0.50 -1.57 0.00 0.00 175.55 172.86 2k4h s ARG 30 N -2.97 1.59 0.46 -0.62 3.52 -1.26 -4.50 118.95 115.16 2k4h s ARG 30 Ca 0.71 -1.27 0.23 0.00 -0.13 0.00 0.00 55.73 55.27 2k4h s ARG 30 Cb -0.34 0.48 1.24 0.00 -1.56 0.00 0.00 34.95 34.77 2k4h s ARG 30 CO 0.40 -0.66 1.86 -0.07 -0.81 0.00 0.00 175.30 176.01 2k4h h LEU 31 N 2.24 0.25 -0.65 -0.88 3.38 -1.96 -0.15 115.31 117.54 2k4h h LEU 31 Ca -0.26 0.03 0.12 0.00 0.09 0.00 0.00 57.88 57.86 2k4h h LEU 31 Cb 1.25 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.90 2k4h h LEU 31 CO 0.35 0.09 0.21 0.11 0.09 0.00 0.00 178.44 179.29 2k4h h LYS 32 N 0.25 0.34 0.00 1.13 1.79 -1.99 0.53 116.57 118.62 2k4h h LYS 32 Ca 0.47 -0.02 -0.07 0.00 -2.18 0.00 0.00 60.65 58.85 2k4h h LYS 32 Cb 1.44 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 32.00 2k4h h LYS 32 CO -0.13 0.23 -0.34 0.45 -1.08 0.00 0.00 179.45 178.58 2k4h h HIS 33 N 0.35 0.00 -0.22 -1.35 3.86 -1.43 -2.78 115.15 113.58 2k4h h HIS 33 Ca 0.35 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.39 2k4h h HIS 33 Cb 0.50 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.97 2k4h h HIS 33 CO -0.20 0.34 -0.53 0.82 0.86 0.00 0.00 177.93 179.22 2k4h h ILE 34 N 0.00 1.31 0.17 2.45 2.04 -0.88 -2.56 117.51 120.04 2k4h h ILE 34 Ca -0.00 -1.76 -0.01 0.00 1.00 0.00 0.00 64.86 64.09 2k4h h ILE 34 Cb 0.63 1.71 0.00 0.00 -0.74 0.00 0.00 36.82 38.43 2k4h h ILE 34 CO 0.04 0.55 -0.08 0.58 0.00 0.00 0.00 178.15 179.25 2k4h h VAL 35 N 0.49 0.94 0.00 1.67 2.07 -1.12 -0.99 116.25 119.31 2k4h h VAL 35 Ca 0.01 -0.53 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 2k4h h VAL 35 Cb 1.09 1.26 -0.00 0.00 -1.52 0.00 0.00 31.29 32.12 2k4h h VAL 35 CO 0.11 0.12 -0.02 -0.25 0.02 0.00 0.00 177.57 177.55 2k4h h TRP 36 N -0.48 0.00 -0.00 1.57 7.01 -1.55 0.51 115.95 123.00 2k4h h TRP 36 Ca -0.02 0.00 -0.01 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 0.02 -0.04 0.00 -2.79 0.00 0.00 178.44 175.64 2k4h h ALA 37 N 1.98 0.01 -0.65 2.65 0.00 -1.21 -3.22 119.26 118.81 2k4h h ALA 37 Ca -0.00 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.45 2k4h h ALA 37 Cb 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2k4h h ALA 37 CO 0.00 -0.10 0.07 0.00 0.00 0.00 0.00 179.25 179.23 2k4h h ALA 38 N 0.28 0.90 -0.77 0.00 0.00 -0.80 -2.65 119.26 116.21 2k4h h ALA 38 Ca -0.00 -0.29 0.18 0.00 0.00 0.00 0.00 54.91 54.80 2k4h h ALA 38 Cb 0.77 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 2k4h h ALA 38 CO 0.01 0.67 0.53 -0.97 0.00 0.00 0.00 179.25 179.48 2k4h h ASN 39 N 1.02 0.25 0.37 0.00 -1.24 -1.00 0.12 115.58 115.10 2k4h h ASN 39 Ca 0.19 0.02 -0.20 0.00 0.71 0.00 0.00 56.30 57.02 2k4h h ASN 39 Cb 0.48 -0.03 -0.00 0.00 0.73 0.00 0.00 38.32 39.50 2k4h h ASN 39 CO 0.02 0.12 -0.85 0.11 -1.29 0.00 0.00 177.43 175.54 2k4h h LYS 40 N 0.26 0.35 0.63 6.67 6.56 -1.48 -3.07 116.57 126.49 2k4h h LYS 40 Ca 0.38 -0.34 -0.03 0.00 -1.06 0.00 0.00 60.65 59.60 2k4h h LYS 40 Cb 1.11 0.09 0.01 0.00 -0.57 0.00 0.00 32.23 32.86 2k4h h LYS 40 CO -0.09 1.01 -0.30 -0.07 -2.06 0.00 0.00 179.45 177.94 2k4h h LEU 41 N 0.21 -0.71 -0.53 2.94 3.38 -0.67 0.25 115.31 120.19 2k4h h LEU 41 Ca -0.05 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.01 2k4h h LEU 41 Cb 1.46 0.18 -0.09 0.00 0.09 0.00 0.00 40.66 42.30 2k4h h LEU 41 CO 0.14 -0.45 0.01 -0.78 0.09 0.00 0.00 178.44 177.45 2k4h h ASP 42 N -0.94 -0.21 0.69 -0.43 3.58 -0.90 0.42 116.42 118.63 2k4h h ASP 42 Ca -0.09 0.13 -0.03 0.00 0.42 0.00 0.00 57.03 57.45 2k4h h ASP 42 Cb 0.68 0.22 0.01 0.00 1.72 0.00 0.00 39.33 41.95 2k4h h ASP 42 CO 0.14 -0.08 -0.33 -0.09 -2.88 0.00 0.00 179.24 176.00 2k4h h ARG 43 N 0.12 -0.90 -0.67 0.28 2.43 -1.46 -3.16 114.38 111.02 2k4h h ARG 43 Ca 0.27 0.06 0.14 0.00 -0.81 0.00 0.00 59.98 59.64 2k4h h ARG 43 Cb 0.41 0.20 -0.11 0.00 -0.42 0.00 0.00 29.97 30.06 2k4h h ARG 43 CO -0.44 -0.57 0.08 0.74 -1.51 0.00 0.00 179.97 178.28 2k4h h PHE 44 N -1.12 0.11 0.00 2.20 0.04 -0.18 -3.45 116.94 114.54 2k4h h PHE 44 Ca -0.10 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.72 2k4h h PHE 44 Cb 0.75 0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.95 2k4h h PHE 44 CO -0.00 -0.13 0.00 0.41 -0.60 0.00 0.00 178.31 177.99 2k4h n GLY 45 N -1.36 0.28 3.94 -1.45 0.00 0.89 -5.08 105.19 102.41 2k4h n GLY 45 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 2k4h n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k4h s LEU 46 N 0.00 3.38 0.37 0.99 1.43 0.11 -4.92 118.68 120.05 2k4h s LEU 46 Ca 0.00 0.46 0.05 0.00 -1.03 0.00 0.00 54.13 53.61 2k4h s LEU 46 Cb 0.00 -3.30 -0.00 0.00 0.03 0.00 0.00 46.19 42.92 2k4h s LEU 46 CO 0.00 -0.95 0.53 0.00 0.23 0.00 0.00 176.35 176.16 2k4h s ALA 47 N -2.80 4.18 -0.67 4.21 0.00 -1.26 -2.16 121.76 123.24 2k4h s ALA 47 Ca 0.52 -1.41 0.25 0.00 0.00 0.00 0.00 51.96 51.32 2k4h s ALA 47 Cb -0.10 -1.77 0.49 0.00 0.00 0.00 0.00 23.12 21.74 2k4h s ALA 47 CO 0.41 -0.16 1.47 -0.85 0.00 0.00 0.00 175.76 176.63 2k4h n GLU 48 N -1.77 0.28 0.06 0.00 0.28 -1.26 -3.58 120.64 114.65 2k4h n GLU 48 Ca 0.01 0.13 0.08 0.00 -0.16 0.00 0.00 57.16 57.22 2k4h n GLU 48 Cb 0.58 -1.72 0.36 0.00 1.43 0.00 0.00 31.44 32.09 2k4h n GLU 48 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2k4h n SER 49 N -2.15 0.28 -0.34 -1.84 7.64 -1.26 -1.65 113.62 114.29 2k4h n SER 49 Ca 0.04 0.58 0.11 0.00 1.01 0.00 0.00 58.87 60.61 2k4h n SER 49 Cb 0.44 -0.63 0.49 0.00 -1.01 0.00 0.00 64.21 63.50 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 -1.82 1.05 0.01 -3.43 4.77 -1.23 -3.39 117.00 112.96 2k4h n LEU 50 Ca 0.02 -0.42 0.11 0.00 -0.03 0.00 0.00 56.01 55.70 2k4h n LEU 50 Cb 0.16 -0.05 -0.00 0.00 -2.33 0.00 0.00 43.42 41.20 2k4h n LEU 50 CO 0.14 0.21 0.00 0.18 -1.33 0.00 0.00 177.39 176.59 2k4h n LEU 51 N -0.11 0.68 -1.08 2.23 4.77 -0.66 -1.74 117.00 121.09 2k4h n LEU 51 Ca 0.17 -0.18 -0.03 0.00 -0.03 0.00 0.00 56.01 55.94 2k4h n LEU 51 Cb 0.24 -0.08 0.20 0.00 -2.33 0.00 0.00 43.42 41.45 2k4h n LEU 51 CO 0.13 0.13 0.63 -1.84 -1.33 0.00 0.00 177.39 175.11 2k4h n GLU 52 N -1.74 1.79 -3.67 3.23 0.28 -1.22 -4.91 120.64 114.39 2k4h n GLU 52 Ca 0.03 -3.23 -0.11 0.00 -0.16 0.00 0.00 57.16 53.69 2k4h n GLU 52 Cb 0.39 -1.79 -0.11 0.00 1.43 0.00 0.00 31.44 31.36 2k4h n GLU 52 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2k4h s SER 53 N -2.68 -0.11 0.17 -1.84 0.15 -1.26 -5.04 113.70 103.09 2k4h s SER 53 Ca 0.44 0.80 -0.15 0.00 0.70 0.00 0.00 55.95 57.74 2k4h s SER 53 Cb 0.40 0.95 0.13 0.00 -1.71 0.00 0.00 66.02 65.79 2k4h s SER 53 CO -0.02 -0.22 1.72 0.50 1.20 0.00 0.00 173.24 176.42 2k4h h LYS 54 N 7.93 0.21 0.00 5.44 3.64 -1.90 0.13 116.57 132.02 2k4h h LYS 54 Ca -0.21 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.11 2k4h h LYS 54 Cb 1.13 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 2k4h h LYS 54 CO 0.18 0.14 -0.24 1.49 -2.27 0.00 0.00 179.45 178.75 2k4h h GLU 55 N 0.21 0.00 0.03 1.90 4.22 -1.96 -2.83 114.58 116.15 2k4h h GLU 55 Ca 0.21 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.65 2k4h h GLU 55 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2k4h h GLU 55 CO -0.27 0.24 -0.01 0.78 -2.18 0.00 0.00 179.01 177.56 2k4h h GLY 56 N 1.25 -0.04 1.79 1.92 0.00 -1.30 -3.24 103.07 103.45 2k4h h GLY 56 Ca -0.00 0.01 0.02 0.00 0.00 0.00 0.00 47.33 47.36 2k4h h GLY 56 CO 0.03 -0.01 0.08 0.00 0.00 0.00 0.00 176.54 176.64 2k4h h GLN 58 N 0.00 0.00 0.00 0.00 4.15 -1.53 -2.31 115.11 115.42 2k4h h GLN 58 Ca 0.04 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.46 2k4h h GLN 58 Cb 0.20 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.89 2k4h h GLN 58 CO -0.00 0.39 0.00 -0.22 -1.93 0.00 0.00 178.83 177.07 2k4h h LYS 59 N 0.00 0.00 0.13 1.69 3.64 -1.03 -2.79 116.57 118.20 2k4h h LYS 59 Ca -0.00 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.05 2k4h h LYS 59 Cb 0.74 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 2k4h h LYS 59 CO 0.05 0.00 -1.68 0.82 -2.27 0.00 0.00 179.45 176.37 2k4h h ILE 60 N 0.00 0.86 -0.02 2.00 2.04 -1.44 -3.35 117.51 117.60 2k4h h ILE 60 Ca 0.00 -2.39 -0.04 0.00 1.00 0.00 0.00 64.86 63.44 2k4h h ILE 60 Cb 0.64 2.61 -0.01 0.00 -0.74 0.00 0.00 36.82 39.33 2k4h h ILE 60 CO 0.00 0.78 -0.17 -0.07 0.00 0.00 0.00 178.15 178.68 2k4h h LEU 61 N -0.14 0.03 -1.47 1.44 3.38 -1.44 -0.89 115.31 116.22 2k4h h LEU 61 Ca -0.36 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.55 2k4h h LEU 61 Cb 1.90 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.63 2k4h h LEU 61 CO 0.07 0.20 -0.27 0.00 0.09 0.00 0.00 178.44 178.54 2k4h h THR 62 N 0.03 1.09 0.14 0.22 1.03 -1.63 0.27 112.91 114.05 2k4h h THR 62 Ca 0.00 -0.96 -0.35 0.00 -0.01 0.00 0.00 66.41 65.09 2k4h h THR 62 Cb 0.33 1.53 -0.01 0.00 -1.07 0.00 0.00 68.15 68.93 2k4h h THR 62 CO 0.02 0.26 -1.88 0.58 -0.01 0.00 0.00 175.52 174.50 2k4h h VAL 63 N 0.00 0.73 0.00 0.00 2.07 -1.47 -3.36 116.25 114.22 2k4h h VAL 63 Ca -0.00 -2.38 -0.06 0.00 0.82 0.00 0.00 66.70 65.08 2k4h h VAL 63 Cb 0.51 2.57 -0.01 0.00 -1.52 0.00 0.00 31.29 32.84 2k4h h VAL 63 CO 0.04 0.86 -0.30 -0.07 0.02 0.00 0.00 177.57 178.12 2k4h h LEU 64 N 0.02 0.00 0.28 2.57 3.38 -1.11 -3.19 115.31 117.26 2k4h h LEU 64 Ca -0.40 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.57 2k4h h LEU 64 Cb 2.01 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.73 2k4h h LEU 64 CO 0.10 0.30 -0.42 0.44 0.09 0.00 0.00 178.44 178.95 2k4h h ASP 65 N 0.00 -1.19 0.42 -0.43 3.32 -0.61 -0.36 116.42 117.56 2k4h h ASP 65 Ca -0.00 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2k4h h ASP 65 Cb 0.89 0.41 0.00 0.00 0.22 0.00 0.00 39.33 40.86 2k4h h ASP 65 CO 0.04 -0.50 0.00 -0.81 -1.72 0.00 0.00 179.24 176.24 2k4h n PRO 66 N -4.89 0.07 0.09 3.56 -0.04 -1.24 -2.09 135.00 130.45 2k4h n PRO 66 Ca -0.09 0.22 0.11 0.00 -0.04 0.00 0.00 63.50 63.71 2k4h n PRO 66 Cb 0.36 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.32 2k4h n PRO 66 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2k4h n MET 67 N -1.43 0.57 0.37 0.54 2.81 -0.61 -3.97 117.12 115.40 2k4h n MET 67 Ca 0.05 0.10 -0.16 0.00 -1.81 0.00 0.00 57.70 55.87 2k4h n MET 67 Cb 0.15 -1.79 -0.08 0.00 -0.71 0.00 0.00 33.22 30.79 2k4h n MET 67 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2k4h h VAL 68 N 0.00 0.15 0.00 2.03 2.07 -0.54 0.28 116.25 120.25 2k4h h VAL 68 Ca 0.00 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.29 2k4h h VAL 68 Cb 0.97 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 2k4h h VAL 68 CO 0.00 0.02 0.00 -0.81 0.02 0.00 0.00 177.57 176.80 2k4h n PRO 69 N -5.44 0.47 -2.79 1.57 -0.04 -1.26 -3.56 135.00 123.96 2k4h n PRO 69 Ca -0.13 0.01 -0.10 0.00 -0.04 0.00 0.00 63.50 63.24 2k4h n PRO 69 Cb 0.39 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.02 -0.03 -3.85 0.52 -1.04 -1.07 -5.14 114.28 102.65 2k4h n THR 70 Ca 0.11 -1.90 -0.10 0.00 -2.04 0.00 0.00 64.05 60.12 2k4h n THR 70 Cb 0.06 1.25 0.02 0.00 -1.82 0.00 0.00 70.33 69.83 2k4h n THR 70 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2k4h s GLY 71 N -1.44 0.57 0.75 3.41 0.00 0.98 -4.69 107.32 106.90 2k4h s GLY 71 Ca 0.25 -0.89 -0.06 0.00 0.00 0.00 0.00 44.72 44.01 2k4h s GLY 71 CO -0.07 -0.43 1.06 -1.35 0.00 0.00 0.00 173.10 172.31 2k4h s SER 72 N -3.10 4.37 0.32 1.64 1.04 -1.26 -4.96 113.70 111.74 2k4h s SER 72 Ca 0.18 0.17 0.06 0.00 0.48 0.00 0.00 55.95 56.83 2k4h s SER 72 Cb -0.04 -0.63 0.54 0.00 0.10 0.00 0.00 66.02 65.98 2k4h s SER 72 CO 0.13 -1.88 1.78 -0.08 0.98 0.00 0.00 173.24 174.18 2k4h h GLU 73 N -0.75 0.36 -0.34 4.02 4.57 -1.98 -2.53 114.58 117.93 2k4h h GLU 73 Ca -0.42 -0.12 0.10 0.00 -1.18 0.00 0.00 59.36 57.74 2k4h h GLU 73 Cb 1.28 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.83 2k4h h GLU 73 CO 0.50 0.58 0.35 -0.91 -1.18 0.00 0.00 179.01 178.34 2k4h h ASN 74 N 0.32 0.00 0.12 1.04 -0.26 -2.01 -1.04 115.58 113.75 2k4h h ASN 74 Ca 0.05 0.00 -0.24 0.00 -0.56 0.00 0.00 56.30 55.56 2k4h h ASN 74 Cb 0.59 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.86 2k4h h ASN 74 CO 0.04 0.00 -1.16 0.25 -1.06 0.00 0.00 177.43 175.50 2k4h h LEU 75 N 0.00 0.39 -1.49 1.61 6.46 -1.84 -3.31 115.31 117.14 2k4h h LEU 75 Ca 0.16 -0.88 0.10 0.00 -0.12 0.00 0.00 57.88 57.14 2k4h h LEU 75 Cb 0.86 -0.13 -0.05 0.00 -0.73 0.00 0.00 40.66 40.61 2k4h h LEU 75 CO -0.00 1.52 0.47 0.11 -0.62 0.00 0.00 178.44 179.92 2k4h h LYS 76 N -0.36 0.55 -0.12 1.25 1.57 -1.18 0.15 116.57 118.42 2k4h h LYS 76 Ca -0.24 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.50 2k4h h LYS 76 Cb 1.69 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.87 2k4h h LYS 76 CO 0.08 0.36 0.06 0.77 -0.57 0.00 0.00 179.45 180.15 2k4h h SER 77 N 0.56 0.16 -0.01 0.86 0.02 -1.46 -2.25 113.55 111.43 2k4h h SER 77 Ca 0.33 -0.14 -0.15 0.00 -0.84 0.00 0.00 61.79 61.00 2k4h h SER 77 Cb 0.54 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 2k4h h SER 77 CO -0.11 0.25 -0.50 0.25 -1.14 0.00 0.00 176.83 175.58 2k4h h LEU 78 N 0.06 0.63 -0.80 5.07 5.85 -1.43 -2.96 115.31 121.73 2k4h h LEU 78 Ca 0.04 -0.31 0.07 0.00 0.84 0.00 0.00 57.88 58.51 2k4h h LEU 78 Cb 0.14 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 40.93 2k4h h LEU 78 CO -0.00 1.02 0.48 0.15 -0.34 0.00 0.00 178.44 179.74 2k4h h PHE 79 N 0.45 0.88 -0.39 1.25 3.57 -0.58 0.27 116.94 122.39 2k4h h PHE 79 Ca 0.02 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.43 2k4h h PHE 79 Cb 1.03 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.48 2k4h h PHE 79 CO 0.04 0.43 -0.22 -0.91 -2.23 0.00 0.00 178.31 175.42 2k4h h ASN 80 N 0.86 0.79 -0.16 0.41 4.21 -1.34 -2.05 115.58 118.30 2k4h h ASN 80 Ca 0.36 -0.28 -0.17 0.00 1.21 0.00 0.00 56.30 57.41 2k4h h ASN 80 Cb 0.21 -0.22 -0.00 0.00 -1.12 0.00 0.00 38.32 37.19 2k4h h ASN 80 CO -0.19 0.99 -0.53 0.74 -1.29 0.00 0.00 177.43 177.15 2k4h h THR 81 N 0.68 1.29 -0.16 2.81 2.02 -1.16 -3.09 112.91 115.32 2k4h h THR 81 Ca 0.10 -1.74 -0.09 0.00 0.77 0.00 0.00 66.41 65.44 2k4h h THR 81 Cb 0.73 1.67 -0.01 0.00 -1.74 0.00 0.00 68.15 68.79 2k4h h THR 81 CO 0.06 0.56 -0.31 0.58 0.37 0.00 0.00 175.52 176.77 2k4h h VAL 82 N 0.57 1.27 -0.10 3.16 2.07 -0.39 -2.12 116.25 120.72 2k4h h VAL 82 Ca 0.02 -1.31 -0.04 0.00 0.82 0.00 0.00 66.70 66.19 2k4h h VAL 82 Cb 1.11 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.37 2k4h h VAL 82 CO 0.11 0.40 -0.13 0.00 0.02 0.00 0.00 177.57 177.98 2k4h h VAL 84 N 0.14 0.69 -1.02 0.00 2.07 -1.45 -3.17 116.25 113.51 2k4h h VAL 84 Ca 0.03 -1.54 0.33 0.00 0.82 0.00 0.00 66.70 66.34 2k4h h VAL 84 Cb 0.32 1.32 -0.15 0.00 -1.52 0.00 0.00 31.29 31.26 2k4h h VAL 84 CO 0.02 0.23 0.58 0.40 0.02 0.00 0.00 177.57 178.83 2k4h h ILE 85 N -1.00 0.28 -0.11 4.57 1.08 -1.39 0.26 117.51 121.20 2k4h h ILE 85 Ca -0.02 -0.10 -0.02 0.00 -0.39 0.00 0.00 64.86 64.34 2k4h h ILE 85 Cb 0.45 -0.04 -0.00 0.00 -3.07 0.00 0.00 36.82 34.15 2k4h h ILE 85 CO -0.01 0.05 0.00 -0.25 -0.69 0.00 0.00 178.15 177.26 2k4h h TRP 86 N 0.30 0.20 -0.48 1.37 7.01 -1.59 -3.15 115.95 119.61 2k4h h TRP 86 Ca 0.74 -0.03 0.09 0.00 2.11 0.00 0.00 58.89 61.80 2k4h h TRP 86 Cb 1.75 -0.05 -0.08 0.00 -2.10 0.00 0.00 29.16 28.67 2k4h h TRP 86 CO -0.01 0.43 -0.01 0.00 -2.79 0.00 0.00 178.44 176.06 2k4h h ILE 88 N 0.11 0.55 0.18 0.00 2.04 -1.31 0.12 117.51 119.20 2k4h h ILE 88 Ca 0.24 -0.09 -0.32 0.00 1.00 0.00 0.00 64.86 65.70 2k4h h ILE 88 Cb 0.36 0.28 0.01 0.00 -0.74 0.00 0.00 36.82 36.74 2k4h h ILE 88 CO -0.41 0.05 -1.49 0.45 0.00 0.00 0.00 178.15 176.74 2k4h h HIS 89 N 0.25 0.69 -0.09 1.37 3.86 -0.88 -3.26 115.15 117.08 2k4h h HIS 89 Ca 0.52 -0.50 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 2k4h h HIS 89 Cb 1.58 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 30.03 2k4h h HIS 89 CO -0.00 1.47 0.00 0.00 0.86 0.00 0.00 177.93 180.26 2k4h n ALA 90 N -2.69 2.50 -1.11 2.45 0.00 0.04 -4.84 120.51 116.87 2k4h n ALA 90 Ca -0.16 -0.17 -0.04 0.00 0.00 0.00 0.00 53.44 53.07 2k4h n ALA 90 Cb 1.07 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 19.51 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 -1.14 -2.26 0.00 2.13 -0.24 -4.95 120.64 113.97 2k4h n GLU 91 Ca 0.03 0.50 -0.42 0.00 0.66 0.00 0.00 57.16 57.93 2k4h n GLU 91 Cb 0.10 -4.47 -0.03 0.00 0.27 0.00 0.00 31.44 27.31 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 -1.78 4.30 -0.15 5.31 0.41 0.21 -4.98 118.70 122.02 2k4h s GLU 92 Ca 0.00 1.92 -0.07 0.00 -0.41 0.00 0.00 54.97 56.41 2k4h s GLU 92 Cb 0.00 -3.55 -0.04 0.00 -1.78 0.00 0.00 34.13 28.76 2k4h s GLU 92 CO 0.00 -0.54 0.08 -1.59 -0.49 0.00 0.00 175.26 172.72 2k4h s LYS 93 N 2.27 3.67 0.12 1.61 -2.85 -1.26 -4.22 119.74 119.07 2k4h s LYS 93 Ca 0.62 -0.28 0.00 0.00 -1.00 0.00 0.00 55.97 55.32 2k4h s LYS 93 Cb -0.30 -3.16 -0.04 0.00 -2.06 0.00 0.00 37.83 32.27 2k4h s LYS 93 CO 0.26 0.50 -0.01 0.14 0.10 0.00 0.00 175.35 176.35 2k4h s VAL 94 N -0.27 0.43 -0.23 1.79 -7.23 -1.26 -5.00 120.40 108.63 2k4h s VAL 94 Ca 0.09 -1.92 -0.09 0.00 -1.81 0.00 0.00 61.98 58.25 2k4h s VAL 94 Cb -0.12 -1.88 -0.18 0.00 0.56 0.00 0.00 36.38 34.77 2k4h s VAL 94 CO 0.01 -0.67 -0.06 1.17 -0.31 0.00 0.00 175.10 175.24 2k4h n LYS 95 N -0.08 0.64 -4.22 4.82 4.81 -1.26 -4.66 118.16 118.20 2k4h n LYS 95 Ca -0.09 0.29 -0.13 0.00 -0.87 0.00 0.00 58.31 57.52 2k4h n LYS 95 Cb 0.62 -1.59 -0.10 0.00 0.02 0.00 0.00 35.03 33.98 2k4h n LYS 95 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 2k4h s ASP 96 N -7.00 1.21 0.17 3.14 1.47 -1.26 -2.23 116.67 112.18 2k4h s ASP 96 Ca -0.32 -1.11 -0.22 0.00 1.18 0.00 0.00 52.55 52.07 2k4h s ASP 96 Cb 0.10 0.11 0.08 0.00 -0.34 0.00 0.00 42.92 42.86 2k4h s ASP 96 CO 0.60 -0.53 1.59 0.74 0.68 0.00 0.00 175.17 178.25 2k4h h THR 97 N 2.78 0.20 -0.91 2.11 2.02 -0.61 0.36 112.91 118.85 2k4h h THR 97 Ca -0.36 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.05 2k4h h THR 97 Cb 1.19 0.20 -0.06 0.00 -1.74 0.00 0.00 68.15 67.74 2k4h h THR 97 CO 0.63 0.00 0.62 -0.33 0.37 0.00 0.00 175.52 176.82 2k4h h GLU 98 N -0.22 0.22 -0.46 6.66 3.07 -1.85 0.14 114.58 122.15 2k4h h GLU 98 Ca 0.19 -0.01 -0.08 0.00 -0.50 0.00 0.00 59.36 58.96 2k4h h GLU 98 Cb 0.54 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.39 2k4h h GLU 98 CO -0.60 0.14 -0.05 0.78 -1.40 0.00 0.00 179.01 177.88 2k4h h GLY 99 N 0.22 0.85 2.00 -3.84 0.00 -0.69 -2.43 103.07 99.18 2k4h h GLY 99 Ca 0.46 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 47.19 2k4h h GLY 99 CO -0.11 0.55 0.00 0.00 0.00 0.00 0.00 176.54 176.98 2k4h h ALA 100 N 1.22 1.00 0.00 3.60 0.00 -0.41 -2.92 119.26 121.75 2k4h h ALA 100 Ca 0.13 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 2k4h h ALA 100 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2k4h h ALA 100 CO 0.03 0.00 -0.72 -0.22 0.00 0.00 0.00 179.25 178.34 2k4h h LYS 101 N 0.00 0.00 0.02 0.00 3.11 -0.94 -2.44 116.57 116.32 2k4h h LYS 101 Ca 0.00 0.00 -0.25 0.00 -2.81 0.00 0.00 60.65 57.59 2k4h h LYS 101 Cb 0.77 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.96 2k4h h LYS 101 CO 0.00 0.72 -1.29 0.37 -2.81 0.00 0.00 179.45 176.44 2k4h h GLN 102 N 0.00 0.04 0.09 1.90 4.15 -1.39 -2.80 115.11 117.10 2k4h h GLN 102 Ca -0.01 -0.07 -0.28 0.00 0.77 0.00 0.00 58.65 59.06 2k4h h GLN 102 Cb 1.54 0.03 0.03 0.00 0.21 0.00 0.00 27.48 29.28 2k4h h GLN 102 CO 0.09 0.87 -1.16 0.82 -1.93 0.00 0.00 178.83 177.52 2k4h h ILE 103 N 0.01 1.29 -0.23 2.39 2.04 -1.57 -3.19 117.51 118.25 2k4h h ILE 103 Ca -0.13 -2.39 -0.11 0.00 1.00 0.00 0.00 64.86 63.24 2k4h h ILE 103 Cb 1.88 2.64 -0.00 0.00 -0.74 0.00 0.00 36.82 40.59 2k4h h ILE 103 CO 0.12 0.73 -0.27 0.58 0.00 0.00 0.00 178.15 179.31 2k4h h VAL 104 N 0.26 1.32 -0.41 1.67 2.07 -1.56 -3.20 116.25 116.40 2k4h h VAL 104 Ca -0.17 -1.45 0.08 0.00 0.82 0.00 0.00 66.70 65.98 2k4h h VAL 104 Cb 1.83 1.72 -0.08 0.00 -1.52 0.00 0.00 31.29 33.24 2k4h h VAL 104 CO 0.22 0.45 -0.11 -0.09 0.02 0.00 0.00 177.57 178.07 2k4h h ARG 105 N 0.30 -0.00 -0.90 1.57 2.43 -1.60 0.23 114.38 116.41 2k4h h ARG 105 Ca 0.03 0.00 0.15 0.00 -0.81 0.00 0.00 59.98 59.35 2k4h h ARG 105 Cb 0.84 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.32 2k4h h ARG 105 CO 0.07 -0.00 0.58 -0.09 -1.51 0.00 0.00 179.97 179.01 2k4h h ARG 106 N -0.00 0.66 0.00 0.20 9.65 -1.57 0.30 114.38 123.61 2k4h h ARG 106 Ca 0.20 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.04 2k4h h ARG 106 Cb 0.30 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 28.73 2k4h h ARG 106 CO -0.43 0.44 0.00 0.45 2.80 0.00 0.00 179.97 183.23 2k4h h HIS 107 N 0.68 0.00 0.05 2.20 3.86 -0.99 -2.98 115.15 117.97 2k4h h HIS 107 Ca 0.46 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 59.40 2k4h h HIS 107 Cb 0.75 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.20 2k4h h HIS 107 CO -0.00 0.00 -1.44 -0.07 0.86 0.00 0.00 177.93 177.28 2k4h h LEU 108 N 0.00 0.17 -2.00 2.43 3.38 0.57 -3.33 115.31 116.53 2k4h h LEU 108 Ca 0.00 -0.69 -0.01 0.00 0.09 0.00 0.00 57.88 57.27 2k4h h LEU 108 Cb 0.73 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 2k4h h LEU 108 CO 0.00 1.59 -0.05 0.58 0.09 0.00 0.00 178.44 180.65 2k4h h VAL 109 N -0.61 0.92 0.00 1.22 2.07 -1.14 0.49 116.25 119.20 2k4h h VAL 109 Ca -0.35 -0.18 -0.10 0.00 0.82 0.00 0.00 66.70 66.89 2k4h h VAL 109 Cb 1.56 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 2k4h h VAL 109 CO -0.09 0.05 -0.48 0.00 0.02 0.00 0.00 177.57 177.07 2k4h h ALA 110 N 1.95 1.13 0.00 1.67 0.00 -1.67 -3.09 119.26 119.25 2k4h h ALA 110 Ca -0.00 -0.44 -0.24 0.00 0.00 0.00 0.00 54.91 54.23 2k4h h ALA 110 Cb 0.10 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2k4h h ALA 110 CO 0.01 0.61 -1.60 -1.91 0.00 0.00 0.00 179.25 176.35 2k4h n GLU 111 N -3.86 0.63 0.02 0.00 4.07 -0.47 -4.02 120.64 116.99 2k4h n GLU 111 Ca -0.01 0.25 0.15 0.00 -0.06 0.00 0.00 57.16 57.49 2k4h n GLU 111 Cb 0.52 -1.79 0.62 0.00 -0.06 0.00 0.00 31.44 30.72 2k4h n GLU 111 CO 0.00 0.00 0.00 1.15 -0.06 0.00 0.00 177.13 178.22 2k4h h THR 112 N 0.00 0.84 0.00 6.31 2.02 -0.87 0.15 112.91 121.36 2k4h h THR 112 Ca -0.24 -0.05 -0.05 0.00 0.77 0.00 0.00 66.41 66.85 2k4h h THR 112 Cb 1.83 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.91 2k4h h THR 112 CO 0.06 0.03 -0.22 1.23 0.37 0.00 0.00 175.52 176.99 2k4h h GLY 113 N 0.14 0.00 -3.44 2.16 0.00 -1.69 -2.94 103.07 97.30 2k4h h GLY 113 Ca 0.22 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 47.06 2k4h h GLY 113 CO -0.03 0.00 -0.75 -0.37 0.00 0.00 0.00 176.54 175.39 2k4h n THR 114 N -4.08 2.52 -2.61 4.70 5.66 -0.01 -4.69 114.28 115.77 2k4h n THR 114 Ca -0.02 -4.08 -0.03 0.00 -3.05 0.00 0.00 64.05 56.87 2k4h n THR 114 Cb 0.29 -1.04 0.01 0.00 -1.55 0.00 0.00 70.33 68.05 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 -0.76 -1.46 -2.86 1.79 0.00 -0.92 -5.04 120.51 111.27 2k4h n ALA 115 Ca 0.42 -0.42 -0.12 0.00 0.00 0.00 0.00 53.44 53.31 2k4h n ALA 115 Cb 0.93 -0.84 0.02 0.00 0.00 0.00 0.00 19.45 19.56 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 -0.47 1.08 -0.04 0.00 2.13 -1.15 -4.79 120.64 117.39 2k4h n GLU 116 Ca -0.17 -3.11 -0.03 0.00 0.66 0.00 0.00 57.16 54.52 2k4h n GLU 116 Cb 0.64 -1.30 -0.09 0.00 0.27 0.00 0.00 31.44 30.96 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 0.04 1.78 -2.89 5.31 4.81 -1.26 -5.00 118.16 120.95 2k4h n LYS 117 Ca 0.14 -0.03 -0.35 0.00 -0.87 0.00 0.00 58.31 57.20 2k4h n LYS 117 Cb 0.76 -1.28 -0.07 0.00 0.02 0.00 0.00 35.03 34.46 2k4h n LYS 117 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2k4h s MET 118 N -2.40 4.34 0.73 1.64 0.23 -1.26 -5.07 119.30 117.52 2k4h s MET 118 Ca -0.05 1.11 -0.12 0.00 -1.03 0.00 0.00 55.69 55.59 2k4h s MET 118 Cb 0.04 -2.56 0.18 0.00 -1.53 0.00 0.00 34.83 30.96 2k4h s MET 118 CO 0.46 0.18 0.64 -0.35 -2.03 0.00 0.00 175.02 173.93 2k4h n PRO 119 N 0.08 -2.29 -4.59 3.16 -0.04 -1.26 -5.09 135.00 124.97 2k4h n PRO 119 Ca 0.03 -1.03 -0.27 0.00 -0.04 0.00 0.00 63.50 62.20 2k4h n PRO 119 Cb 0.52 -0.97 -0.11 0.00 -0.04 0.00 0.00 33.50 32.90 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 -3.24 3.63 -0.20 3.54 0.15 -1.26 -5.14 113.70 111.19 2k4h s SER 120 Ca 0.42 -1.36 -0.01 0.00 0.70 0.00 0.00 55.95 55.70 2k4h s SER 120 Cb -0.04 -0.35 0.01 0.00 -1.71 0.00 0.00 66.02 63.93 2k4h s SER 120 CO 0.32 -0.46 -0.13 0.42 1.20 0.00 0.00 173.24 174.59 2k4h s THR 121 N -2.80 2.60 -0.04 6.45 -4.23 -1.26 -5.10 115.64 111.26 2k4h s THR 121 Ca 0.35 -0.78 0.02 0.00 -1.18 0.00 0.00 61.69 60.10 2k4h s THR 121 Cb 0.09 -2.15 0.01 0.00 1.34 0.00 0.00 72.50 71.79 2k4h s THR 121 CO 0.17 0.47 -0.08 -0.44 -0.54 0.00 0.00 174.62 174.21 2k4h s SER 122 N 1.36 1.16 0.07 3.99 0.01 -1.26 -5.15 113.70 113.88 2k4h s SER 122 Ca 0.05 -0.18 0.08 0.00 1.31 0.00 0.00 55.95 57.21 2k4h s SER 122 Cb -0.14 -0.42 -0.03 0.00 0.21 0.00 0.00 66.02 65.64 2k4h s SER 122 CO -0.09 0.02 -0.21 0.00 0.41 0.00 0.00 173.24 173.37 2k4h s ARG 123 N 0.47 1.28 1.08 12.44 1.70 -1.26 -5.15 118.95 129.52 2k4h s ARG 123 Ca -0.07 -1.06 -0.15 0.00 -0.47 0.00 0.00 55.73 53.98 2k4h s ARG 123 Cb -0.11 -1.48 0.23 0.00 -0.57 0.00 0.00 34.95 33.02 2k4h s ARG 123 CO 0.01 0.36 1.10 -1.25 -1.08 0.00 0.00 175.30 174.44 2k4h s PRO 124 N -1.54 -0.23 -0.12 3.89 0.04 -1.26 -5.09 135.00 130.70 2k4h s PRO 124 Ca 0.07 0.30 -0.23 0.00 0.04 0.00 0.00 61.00 61.18 2k4h s PRO 124 Cb -0.09 -1.68 0.05 0.00 0.04 0.00 0.00 34.50 32.82 2k4h s PRO 124 CO 0.03 -3.12 0.56 0.95 0.04 0.00 0.00 177.00 175.46 2k4h s THR 125 N -2.98 0.01 0.72 1.26 -4.23 -1.26 -5.17 115.64 104.00 2k4h s THR 125 Ca 0.67 -0.10 -0.12 0.00 -1.18 0.00 0.00 61.69 60.97 2k4h s THR 125 Cb -0.16 -0.84 0.03 0.00 1.34 0.00 0.00 72.50 72.87 2k4h s THR 125 CO 0.57 -0.05 1.08 0.00 -0.54 0.00 0.00 174.62 175.68 2k4h s ALA 126 N -0.55 2.47 0.56 3.99 0.00 -1.26 -5.01 121.76 121.95 2k4h s ALA 126 Ca -0.07 0.25 -0.19 0.00 0.00 0.00 0.00 51.96 51.96 2k4h s ALA 126 Cb -0.03 -3.24 -0.05 0.00 0.00 0.00 0.00 23.12 19.80 2k4h s ALA 126 CO 0.05 -1.44 1.13 -1.25 0.00 0.00 0.00 175.76 174.24 2k4h s PRO 127 N -4.77 3.29 0.48 0.00 0.04 -1.26 -5.04 135.00 127.74 2k4h s PRO 127 Ca 0.61 1.58 -0.08 0.00 0.04 0.00 0.00 61.00 63.16 2k4h s PRO 127 Cb -0.16 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.33 2k4h s PRO 127 CO 0.52 -0.89 0.82 -1.54 0.04 0.00 0.00 177.00 175.95 2k4h s SER 128 N -1.87 6.34 0.03 6.66 1.04 -1.26 -5.07 113.70 119.58 2k4h s SER 128 Ca 0.72 1.07 -0.16 0.00 0.48 0.00 0.00 55.95 58.06 2k4h s SER 128 Cb -0.23 -2.31 -0.06 0.00 0.10 0.00 0.00 66.02 63.52 2k4h s SER 128 CO 0.29 -0.57 0.46 -0.44 0.98 0.00 0.00 173.24 173.96 2k4h s SER 129 N -3.82 6.88 -0.30 7.02 0.01 -1.26 -5.06 113.70 117.17 2k4h s SER 129 Ca 0.50 1.05 -0.12 0.00 1.31 0.00 0.00 55.95 58.69 2k4h s SER 129 Cb -0.10 -2.28 0.18 0.00 0.21 0.00 0.00 66.02 64.02 2k4h s SER 129 CO 0.42 0.29 0.99 -0.70 0.41 0.00 0.00 173.24 174.65 2k4h s GLU 130 N -1.16 0.25 -0.22 12.44 2.56 -1.26 -5.16 118.70 126.14 2k4h s GLU 130 Ca 0.26 0.47 -0.14 0.00 0.00 0.00 0.00 54.97 55.56 2k4h s GLU 130 Cb -0.17 0.27 0.07 0.00 2.00 0.00 0.00 34.13 36.29 2k4h s GLU 130 CO 0.16 -0.24 0.55 0.15 -0.56 0.00 0.00 175.26 175.32 2k4h s LYS 131 N 2.85 0.57 0.00 4.30 1.02 -1.26 -5.11 119.74 122.11 2k4h s LYS 131 Ca 0.02 0.96 0.00 0.00 0.02 0.00 0.00 55.97 56.96 2k4h s LYS 131 Cb -0.10 0.11 0.00 0.00 -0.52 0.00 0.00 37.83 37.32 2k4h s LYS 131 CO -0.13 -0.14 0.00 0.41 -0.92 0.00 0.00 175.35 174.57 2k4h n GLY 132 N 3.97 -0.70 0.00 -3.33 0.00 -1.26 -5.16 105.19 98.72 2k4h n GLY 132 Ca -0.20 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 1.33 3.54 -0.02 0.00 -1.26 -5.19 105.19 103.59 2k4h n GLY 133 Ca 0.00 0.34 -0.26 0.00 0.00 0.00 0.00 46.02 46.09 2k4h n GLY 133 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2k4h s ASN 134 N 0.00 2.93 0.00 1.61 0.01 -1.26 -5.33 114.94 112.90 2k4h s ASN 134 Ca 0.00 -1.66 0.28 0.00 -0.71 0.00 0.00 52.86 50.76 2k4h s ASN 134 Cb 0.00 0.49 0.94 0.00 0.41 0.00 0.00 41.25 43.09 2k4h s ASN 134 CO 0.00 -0.91 1.69 0.00 -1.51 0.00 0.00 177.10 176.36