#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8p s TRP 2 N 0.00 -0.18 -0.00 1.61 1.48 -1.26 -5.18 118.94 115.41 2k8p s TRP 2 Ca 0.00 -0.06 -0.24 0.00 -1.06 0.00 0.00 56.10 54.74 2k8p s TRP 2 Cb 0.00 0.20 0.05 0.00 -1.16 0.00 0.00 33.47 32.57 2k8p s TRP 2 CO 0.00 -0.63 0.54 1.14 -4.06 0.00 0.00 176.95 173.94 2k8p s GLN 3 N -3.33 0.98 0.43 3.25 -2.07 -1.26 -5.18 119.66 112.48 2k8p s GLN 3 Ca 0.00 -0.04 0.04 0.00 -1.82 0.00 0.00 55.36 53.54 2k8p s GLN 3 Cb 0.01 0.45 -0.04 0.00 -1.09 0.00 0.00 33.01 32.34 2k8p s GLN 3 CO -0.08 -0.32 0.04 0.00 -1.32 0.00 0.00 175.29 173.60 2k8p s ALA 4 N -1.77 3.34 0.04 2.60 0.00 -1.26 -5.17 121.76 119.54 2k8p s ALA 4 Ca -0.09 -1.31 -0.04 0.00 0.00 0.00 0.00 51.96 50.52 2k8p s ALA 4 Cb -0.01 0.32 -0.02 0.00 0.00 0.00 0.00 23.12 23.41 2k8p s ALA 4 CO 0.04 -0.16 0.06 -0.06 0.00 0.00 0.00 175.76 175.64 2k8p s PHE 5 N -2.98 0.26 0.11 0.00 0.40 -1.26 -5.17 117.98 109.34 2k8p s PHE 5 Ca 0.22 -0.59 0.03 0.00 -0.60 0.00 0.00 56.93 55.99 2k8p s PHE 5 Cb 0.05 -0.19 -0.04 0.00 0.51 0.00 0.00 43.02 43.36 2k8p s PHE 5 CO 0.11 -0.34 -0.09 0.15 0.70 0.00 0.00 175.22 175.75 2k8p s LYS 6 N -2.64 0.89 -0.30 0.44 3.01 -1.26 -5.15 119.74 114.73 2k8p s LYS 6 Ca -0.05 -1.28 -0.12 0.00 -1.01 0.00 0.00 55.97 53.51 2k8p s LYS 6 Cb -0.01 -0.45 0.14 0.00 -1.01 0.00 0.00 37.83 36.51 2k8p s LYS 6 CO -0.05 0.05 0.78 1.21 0.51 0.00 0.00 175.35 177.85 2k8p s ASN 7 N -2.81 -0.94 -0.08 2.83 3.84 -1.26 -5.15 114.94 111.37 2k8p s ASN 7 Ca 0.10 1.28 -0.01 0.00 0.21 0.00 0.00 52.86 54.44 2k8p s ASN 7 Cb 0.01 2.06 0.03 0.00 -0.55 0.00 0.00 41.25 42.80 2k8p s ASN 7 CO -0.01 -0.18 -0.02 -1.81 -2.79 0.00 0.00 177.10 172.28 2k8p s ASP 8 N 2.73 1.71 -0.40 -4.21 1.11 -1.26 -5.05 116.67 111.31 2k8p s ASP 8 Ca -0.04 -0.15 0.11 0.00 0.18 0.00 0.00 52.55 52.64 2k8p s ASP 8 Cb -0.10 -0.55 0.33 0.00 1.07 0.00 0.00 42.92 43.67 2k8p s ASP 8 CO -0.18 -0.16 0.72 0.00 1.18 0.00 0.00 175.17 176.72 2k8p n ALA 9 N 5.02 2.37 -3.83 5.23 0.00 -1.26 -5.03 120.51 123.01 2k8p n ALA 9 Ca -0.10 -3.56 -0.33 0.00 0.00 0.00 0.00 53.44 49.46 2k8p n ALA 9 Cb 0.50 -0.89 -0.12 0.00 0.00 0.00 0.00 19.45 18.94 2k8p n ALA 9 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2k8p s THR 10 N -2.45 3.18 -0.11 0.00 2.01 -1.26 -5.07 115.64 111.95 2k8p s THR 10 Ca 0.40 -3.27 0.01 0.00 0.31 0.00 0.00 61.69 59.15 2k8p s THR 10 Cb 0.31 -3.12 -0.01 0.00 0.01 0.00 0.00 72.50 69.69 2k8p s THR 10 CO -0.09 -0.86 -0.15 -1.61 -0.69 0.00 0.00 174.62 171.22 2k8p s GLU 11 N -0.34 3.20 -0.61 4.92 2.02 -1.26 -5.08 118.70 121.55 2k8p s GLU 11 Ca 0.18 -0.72 -0.15 0.00 0.02 0.00 0.00 54.97 54.30 2k8p s GLU 11 Cb -0.21 -2.54 0.15 0.00 0.10 0.00 0.00 34.13 31.63 2k8p s GLU 11 CO -0.03 0.27 0.55 0.42 0.02 0.00 0.00 175.26 176.49 2k8p s ILE 12 N 0.20 5.19 -0.54 -1.63 1.01 -1.26 -4.95 121.20 119.21 2k8p s ILE 12 Ca -0.09 -1.82 0.06 0.00 0.00 0.00 0.00 60.65 58.80 2k8p s ILE 12 Cb -0.15 -4.30 0.23 0.00 0.01 0.00 0.00 42.46 38.24 2k8p s ILE 12 CO 0.05 -0.90 0.58 -0.38 0.00 0.00 0.00 174.94 174.29 2k8p n ILE 13 N 4.84 0.80 -1.58 2.92 -0.00 -1.26 -5.11 119.36 119.97 2k8p n ILE 13 Ca -0.06 -4.54 -0.32 0.00 -0.00 0.00 0.00 62.75 57.83 2k8p n ILE 13 Cb 0.42 -2.01 0.06 0.00 -0.00 0.00 0.00 39.64 38.11 2k8p n ILE 13 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 2k8p s PRO 14 N -1.56 2.60 -0.40 0.38 0.04 -1.26 -5.05 135.00 129.76 2k8p s PRO 14 Ca 0.35 1.31 0.04 0.00 0.04 0.00 0.00 61.00 62.74 2k8p s PRO 14 Cb 0.11 -1.93 0.16 0.00 0.04 0.00 0.00 34.50 32.88 2k8p s PRO 14 CO -0.09 -1.39 0.40 -1.21 0.04 0.00 0.00 177.00 174.75 2k8p s GLU 15 N -4.38 0.74 -0.17 4.56 0.41 -1.26 -5.12 118.70 113.48 2k8p s GLU 15 Ca 0.65 -1.17 -0.16 0.00 -0.41 0.00 0.00 54.97 53.88 2k8p s GLU 15 Cb -0.19 -0.81 -0.04 0.00 -1.78 0.00 0.00 34.13 31.31 2k8p s GLU 15 CO 0.47 -1.25 0.41 -0.51 -0.49 0.00 0.00 175.26 173.88 2k8p s LEU 16 N 1.06 4.20 -0.42 1.80 1.02 -1.26 -5.02 118.68 120.07 2k8p s LEU 16 Ca 0.22 0.60 0.07 0.00 0.02 0.00 0.00 54.13 55.04 2k8p s LEU 16 Cb -0.10 -2.55 0.22 0.00 0.02 0.00 0.00 46.19 43.78 2k8p s LEU 16 CO -0.06 -0.03 0.47 0.61 0.02 0.00 0.00 176.35 177.36 2k8p n GLY 17 N 3.65 2.74 3.31 -3.19 0.00 -1.26 -5.09 105.19 105.35 2k8p n GLY 17 Ca -0.08 -1.56 -0.35 0.00 0.00 0.00 0.00 46.02 44.02 2k8p n GLY 17 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k8p s GLU 18 N -0.86 3.27 -0.71 1.61 -1.05 -1.26 -5.03 118.70 114.67 2k8p s GLU 18 Ca 0.34 -0.71 0.04 0.00 -0.15 0.00 0.00 54.97 54.50 2k8p s GLU 18 Cb 0.12 -3.10 0.24 0.00 -0.44 0.00 0.00 34.13 30.96 2k8p s GLU 18 CO -0.14 -0.27 0.77 0.66 0.95 0.00 0.00 175.26 177.23 2k8p n TYR 19 N 4.80 3.50 -2.07 4.83 4.02 -1.26 -5.01 117.16 125.97 2k8p n TYR 19 Ca -0.17 -4.05 -0.28 0.00 -0.01 0.00 0.00 57.90 53.39 2k8p n TYR 19 Cb 0.50 -0.67 -0.06 0.00 -0.02 0.00 0.00 39.34 39.09 2k8p n TYR 19 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 2k8p s PRO 20 N -2.26 2.51 -0.41 -0.72 0.04 -1.26 -4.73 135.00 128.16 2k8p s PRO 20 Ca 0.36 -1.11 0.07 0.00 0.04 0.00 0.00 61.00 60.36 2k8p s PRO 20 Cb 0.09 -5.23 0.23 0.00 0.04 0.00 0.00 34.50 29.63 2k8p s PRO 20 CO -0.04 -3.93 0.51 -1.91 0.04 0.00 0.00 177.00 171.67 2k8p n GLU 21 N 8.33 0.58 -1.18 4.56 2.13 -1.26 -5.14 120.64 128.65 2k8p n GLU 21 Ca 0.44 -3.05 -0.29 0.00 0.66 0.00 0.00 57.16 54.92 2k8p n GLU 21 Cb 0.47 -1.35 0.16 0.00 0.27 0.00 0.00 31.44 30.98 2k8p n GLU 21 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2k8p s PRO 22 N -0.65 0.75 0.96 5.31 0.04 -1.26 -5.04 135.00 135.10 2k8p s PRO 22 Ca 0.34 0.63 -0.12 0.00 0.04 0.00 0.00 61.00 61.89 2k8p s PRO 22 Cb 0.14 -1.76 0.17 0.00 0.04 0.00 0.00 34.50 33.08 2k8p s PRO 22 CO -0.14 -2.54 1.09 -1.25 0.04 0.00 0.00 177.00 174.20 2k8p s PRO 23 N -4.95 0.73 0.37 0.56 0.04 -1.26 -5.00 135.00 125.49 2k8p s PRO 23 Ca 0.65 0.64 -0.27 0.00 0.04 0.00 0.00 61.00 62.06 2k8p s PRO 23 Cb -0.18 -1.76 -0.09 0.00 0.04 0.00 0.00 34.50 32.50 2k8p s PRO 23 CO 0.57 -2.55 1.20 -1.25 0.04 0.00 0.00 177.00 175.01 2k8p s PRO 24 N -4.95 4.19 -0.41 0.56 0.04 -1.26 -5.02 135.00 128.15 2k8p s PRO 24 Ca 0.65 1.95 0.02 0.00 0.04 0.00 0.00 61.00 63.66 2k8p s PRO 24 Cb -0.18 -2.84 0.15 0.00 0.04 0.00 0.00 34.50 31.67 2k8p s PRO 24 CO 0.57 -0.23 0.29 -1.83 0.04 0.00 0.00 177.00 175.84 2k8p s GLU 25 N -2.06 0.93 -0.58 4.56 -1.05 -1.26 -5.03 118.70 114.20 2k8p s GLU 25 Ca 0.53 -1.88 0.04 0.00 -0.15 0.00 0.00 54.97 53.52 2k8p s GLU 25 Cb -0.34 -1.63 0.17 0.00 -0.44 0.00 0.00 34.13 31.89 2k8p s GLU 25 CO 0.43 -1.28 0.42 -0.51 0.95 0.00 0.00 175.26 175.27 2k8p s LEU 26 N 0.38 3.38 0.31 1.83 1.02 -1.26 -5.10 118.68 119.24 2k8p s LEU 26 Ca 0.25 -3.50 -0.28 0.00 0.02 0.00 0.00 54.13 50.62 2k8p s LEU 26 Cb -0.11 -1.13 -0.09 0.00 0.02 0.00 0.00 46.19 44.88 2k8p s LEU 26 CO -0.09 -0.13 1.05 -1.61 0.02 0.00 0.00 176.35 175.60 2k8p s GLU 27 N -0.78 4.53 0.26 1.70 2.02 -1.26 -5.04 118.70 120.13 2k8p s GLU 27 Ca 0.28 1.64 -0.21 0.00 0.02 0.00 0.00 54.97 56.71 2k8p s GLU 27 Cb -0.02 -2.99 0.02 0.00 0.10 0.00 0.00 34.13 31.25 2k8p s GLU 27 CO -0.17 0.16 0.69 -0.80 0.02 0.00 0.00 175.26 175.15 2k8p s ASN 28 N -1.17 -0.28 0.17 -0.19 -0.87 -1.26 -5.19 114.94 106.15 2k8p s ASN 28 Ca 0.48 -0.57 -0.23 0.00 -1.57 0.00 0.00 52.86 50.98 2k8p s ASN 28 Cb -0.27 0.70 0.07 0.00 -0.02 0.00 0.00 41.25 41.72 2k8p s ASN 28 CO 0.35 -1.29 0.62 0.21 -2.57 0.00 0.00 177.10 174.42 2k8p s ASN 29 N -2.91 -0.53 0.18 -1.22 2.47 -1.26 -5.19 114.94 106.49 2k8p s ASN 29 Ca 0.11 -0.07 -0.04 0.00 0.42 0.00 0.00 52.86 53.28 2k8p s ASN 29 Cb -0.05 0.61 -0.03 0.00 -1.45 0.00 0.00 41.25 40.33 2k8p s ASN 29 CO 0.05 -1.00 0.18 -0.54 -3.72 0.00 0.00 177.10 172.07 2k8p s LYS 30 N -3.75 1.17 -0.16 0.43 1.02 -1.26 -5.18 119.74 112.02 2k8p s LYS 30 Ca 0.02 -1.46 -0.31 0.00 0.02 0.00 0.00 55.97 54.24 2k8p s LYS 30 Cb -0.02 0.31 0.14 0.00 -0.52 0.00 0.00 37.83 37.74 2k8p s LYS 30 CO -0.11 -0.40 1.08 -0.08 -0.92 0.00 0.00 175.35 174.93 2k8p s THR 31 N -4.08 0.00 0.22 2.17 -1.32 -1.26 -5.19 115.64 106.17 2k8p s THR 31 Ca 0.30 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.78 2k8p s THR 31 Cb 0.05 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 70.00 2k8p s THR 31 CO 0.07 0.00 0.09 -0.04 -2.21 0.00 0.00 174.62 172.54 2k8p s MET 32 N -1.65 1.26 -0.21 7.08 -1.94 -1.26 -5.17 119.30 117.41 2k8p s MET 32 Ca 0.03 -1.66 -0.32 0.00 -1.71 0.00 0.00 55.69 52.03 2k8p s MET 32 Cb -0.01 -0.02 0.15 0.00 2.01 0.00 0.00 34.83 36.96 2k8p s MET 32 CO -0.03 -0.31 1.20 1.21 -0.01 0.00 0.00 175.02 177.09 2k8p s ASN 33 N -3.22 -0.16 -0.09 3.03 3.84 -1.26 -5.18 114.94 111.90 2k8p s ASN 33 Ca 0.36 0.11 -0.14 0.00 0.21 0.00 0.00 52.86 53.40 2k8p s ASN 33 Cb 0.07 0.15 0.03 0.00 -0.55 0.00 0.00 41.25 40.95 2k8p s ASN 33 CO 0.11 -0.20 0.36 0.00 -2.79 0.00 0.00 177.10 174.58 2k8p s ARG 34 N -1.60 0.54 -0.29 0.43 1.70 -1.26 -5.16 118.95 113.32 2k8p s ARG 34 Ca 0.06 0.23 -0.17 0.00 -0.47 0.00 0.00 55.73 55.38 2k8p s ARG 34 Cb -0.01 0.25 0.16 0.00 -0.57 0.00 0.00 34.95 34.78 2k8p s ARG 34 CO -0.04 -0.11 1.04 0.00 -1.08 0.00 0.00 175.30 175.11 2k8p s ALA 35 N -0.45 -2.31 -0.29 7.88 0.00 -1.26 -5.16 121.76 120.17 2k8p s ALA 35 Ca -0.06 2.12 -0.14 0.00 0.00 0.00 0.00 51.96 53.88 2k8p s ALA 35 Cb -0.04 -1.73 0.14 0.00 0.00 0.00 0.00 23.12 21.49 2k8p s ALA 35 CO 0.02 -0.32 0.86 -2.00 0.00 0.00 0.00 175.76 174.32 2k8p s GLU 36 N 1.14 0.45 -0.03 0.00 2.12 -1.26 -5.17 118.70 115.95 2k8p s GLU 36 Ca -0.07 0.94 -0.29 0.00 0.36 0.00 0.00 54.97 55.91 2k8p s GLU 36 Cb -0.04 0.36 0.09 0.00 0.26 0.00 0.00 34.13 34.80 2k8p s GLU 36 CO -0.13 -0.12 0.76 0.54 -0.54 0.00 0.00 175.26 175.76 2k8p s ASN 37 N 2.05 -0.55 0.00 -1.70 4.22 -1.26 -5.13 114.94 112.57 2k8p s ASN 37 Ca -0.07 0.44 0.00 0.00 -2.14 0.00 0.00 52.86 51.09 2k8p s ASN 37 Cb -0.06 0.48 0.00 0.00 1.28 0.00 0.00 41.25 42.95 2k8p s ASN 37 CO -0.17 -0.62 0.00 0.61 -2.04 0.00 0.00 177.10 174.88 2k8p n GLY 38 N 0.50 2.36 2.75 0.45 0.00 -1.26 -5.13 105.19 104.86 2k8p n GLY 38 Ca -0.16 -0.39 -0.06 0.00 0.00 0.00 0.00 46.02 45.41 2k8p n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k8p n GLY 39 N 0.00 -0.28 2.26 -0.02 0.00 -1.26 -5.05 105.19 100.84 2k8p n GLY 39 Ca 0.00 0.31 -0.25 0.00 0.00 0.00 0.00 46.02 46.08 2k8p n GLY 39 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2k8p n ARG 40 N 2.19 0.82 -2.10 1.61 0.63 -1.26 -5.10 116.66 113.45 2k8p n ARG 40 Ca 0.13 -3.38 -0.43 0.00 -0.92 0.00 0.00 57.85 53.25 2k8p n ARG 40 Cb 0.60 -1.41 -0.03 0.00 0.45 0.00 0.00 32.46 32.08 2k8p n ARG 40 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2k8p s PRO 41 N -1.11 3.59 0.77 -0.14 0.04 -1.26 -5.00 135.00 131.90 2k8p s PRO 41 Ca 0.35 1.47 -0.10 0.00 0.04 0.00 0.00 61.00 62.75 2k8p s PRO 41 Cb 0.14 -4.09 0.06 0.00 0.04 0.00 0.00 34.50 30.65 2k8p s PRO 41 CO -0.12 -1.54 1.09 -1.25 0.04 0.00 0.00 177.00 175.22 2k8p s PRO 42 N 5.08 2.25 -0.03 0.56 0.04 -1.26 -5.07 135.00 136.57 2k8p s PRO 42 Ca 0.73 1.17 -0.00 0.00 0.04 0.00 0.00 61.00 62.93 2k8p s PRO 42 Cb -0.22 -1.90 0.03 0.00 0.04 0.00 0.00 34.50 32.45 2k8p s PRO 42 CO 0.31 -1.65 0.03 -3.38 0.04 0.00 0.00 177.00 172.35 2k8p s HIS 43 N -2.90 0.11 -0.41 0.56 -3.43 -1.26 -5.06 115.29 102.89 2k8p s HIS 43 Ca 0.61 0.12 0.01 0.00 -0.80 0.00 0.00 55.06 55.00 2k8p s HIS 43 Cb -0.17 -0.34 0.25 0.00 -1.43 0.00 0.00 32.58 30.89 2k8p s HIS 43 CO 0.56 -0.12 1.05 1.58 -2.00 0.00 0.00 174.74 175.80 2k8p n HIS 44 N 4.42 -1.92 -1.16 0.38 -0.00 -1.26 -5.17 115.22 110.52 2k8p n HIS 44 Ca -0.22 -1.15 -0.29 0.00 -0.00 0.00 0.00 57.72 56.06 2k8p n HIS 44 Cb 0.50 1.31 0.19 0.00 -0.00 0.00 0.00 29.99 31.99 2k8p n HIS 44 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 2k8p s PRO 45 N 0.49 0.15 0.27 1.57 0.04 -1.26 -5.09 135.00 131.18 2k8p s PRO 45 Ca 0.28 0.42 -0.01 0.00 0.04 0.00 0.00 61.00 61.73 2k8p s PRO 45 Cb 0.19 -1.71 -0.02 0.00 0.04 0.00 0.00 34.50 32.99 2k8p s PRO 45 CO -0.15 -2.90 0.30 -0.59 0.04 0.00 0.00 177.00 173.71 2k8p s PHE 46 N -2.98 1.16 0.43 0.56 -0.71 -1.26 -5.18 117.98 110.01 2k8p s PHE 46 Ca 0.66 -1.33 0.08 0.00 -1.04 0.00 0.00 56.93 55.30 2k8p s PHE 46 Cb -0.18 -0.37 -0.00 0.00 -1.21 0.00 0.00 43.02 41.26 2k8p s PHE 46 CO 0.57 -0.87 0.47 -1.21 -1.34 0.00 0.00 175.22 172.84 2k8p s GLU 47 N -3.70 2.63 -0.24 1.99 0.41 -1.26 -5.13 118.70 113.40 2k8p s GLU 47 Ca 0.35 -1.44 -0.06 0.00 -0.41 0.00 0.00 54.97 53.40 2k8p s GLU 47 Cb 0.03 -2.52 0.12 0.00 -1.78 0.00 0.00 34.13 29.97 2k8p s GLU 47 CO 0.17 -0.26 0.48 0.99 -0.49 0.00 0.00 175.26 176.15 2k8p s THR 48 N -2.44 -0.75 0.36 3.63 2.01 -1.26 -5.17 115.64 112.01 2k8p s THR 48 Ca 0.51 0.08 0.07 0.00 0.31 0.00 0.00 61.69 62.66 2k8p s THR 48 Cb -0.06 -0.80 -0.01 0.00 0.01 0.00 0.00 72.50 71.65 2k8p s THR 48 CO 0.30 0.02 0.48 -0.54 -0.69 0.00 0.00 174.62 174.19 2k8p s LYS 49 N 2.69 3.01 -0.07 4.92 3.01 -1.26 -5.13 119.74 126.92 2k8p s LYS 49 Ca 0.02 -1.10 -0.21 0.00 -1.01 0.00 0.00 55.97 53.67 2k8p s LYS 49 Cb -0.13 -2.77 0.04 0.00 -1.01 0.00 0.00 37.83 33.96 2k8p s LYS 49 CO -0.15 -0.02 0.48 0.34 0.51 0.00 0.00 175.35 176.51 2k8p s ASP 50 N -4.20 -0.43 -0.28 2.83 -1.08 -1.26 -5.17 116.67 107.09 2k8p s ASP 50 Ca 0.47 0.51 -0.21 0.00 -0.52 0.00 0.00 52.55 52.80 2k8p s ASP 50 Cb -0.09 0.55 0.10 0.00 -1.46 0.00 0.00 42.92 42.02 2k8p s ASP 50 CO 0.31 -0.44 0.83 0.54 0.52 0.00 0.00 175.17 176.93 2k8p s VAL 51 N -0.93 0.00 -0.29 1.11 0.11 -1.26 -5.14 120.40 114.00 2k8p s VAL 51 Ca -0.10 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 58.99 2k8p s VAL 51 Cb -0.03 -1.00 0.08 0.00 -1.53 0.00 0.00 36.38 33.90 2k8p s VAL 51 CO 0.05 0.00 -0.04 -0.55 -3.33 0.00 0.00 175.10 171.23 2k8p s SER 52 N 0.83 4.56 0.78 3.54 0.15 -1.26 -5.11 113.70 117.20 2k8p s SER 52 Ca -0.03 -1.70 -0.08 0.00 0.70 0.00 0.00 55.95 54.83 2k8p s SER 52 Cb -0.05 -1.57 0.11 0.00 -1.71 0.00 0.00 66.02 62.81 2k8p s SER 52 CO -0.09 -0.27 1.10 -0.70 1.20 0.00 0.00 173.24 174.48 2k8p s GLU 53 N 1.03 1.65 0.02 5.44 2.56 -1.26 -5.11 118.70 123.02 2k8p s GLU 53 Ca -0.01 -0.46 0.00 0.00 0.00 0.00 0.00 54.97 54.51 2k8p s GLU 53 Cb -0.20 -2.10 -0.02 0.00 2.00 0.00 0.00 34.13 33.81 2k8p s GLU 53 CO -0.06 -1.63 -0.04 1.52 -0.56 0.00 0.00 175.26 174.49 2k8p s TYR 54 N -3.42 0.31 0.13 5.30 1.13 -1.26 -5.01 117.35 114.54 2k8p s TYR 54 Ca 0.65 -0.47 0.00 0.00 -1.41 0.00 0.00 57.07 55.84 2k8p s TYR 54 Cb -0.08 -0.21 0.00 0.00 -1.10 0.00 0.00 41.96 40.57 2k8p s TYR 54 CO 0.47 -0.15 0.00 0.45 -2.51 0.00 0.00 175.55 173.81 2k8p n SER 55 N 1.72 -6.10 -4.64 -0.18 2.88 -1.26 -4.67 113.62 101.37 2k8p n SER 55 Ca -0.23 0.60 -0.40 0.00 -1.33 0.00 0.00 58.87 57.52 2k8p n SER 55 Cb 0.55 -1.69 -0.07 0.00 -0.75 0.00 0.00 64.21 62.25 2k8p n SER 55 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k8p s ARG 57 N 2.12 2.56 -0.28 0.00 1.70 0.15 -4.89 118.95 120.31 2k8p s ARG 57 Ca 0.25 0.09 -0.06 0.00 -0.47 0.00 0.00 55.73 55.54 2k8p s ARG 57 Cb -0.16 -2.12 0.01 0.00 -0.57 0.00 0.00 34.95 32.12 2k8p s ARG 57 CO 0.09 -1.09 0.05 -1.83 -1.08 0.00 0.00 175.30 171.45 2k8p s GLU 58 N -5.26 3.06 -0.38 3.89 -1.05 -1.26 -2.87 118.70 114.83 2k8p s GLU 58 Ca 0.58 -0.87 -0.16 0.00 -0.15 0.00 0.00 54.97 54.38 2k8p s GLU 58 Cb -0.11 -3.29 0.01 0.00 -0.44 0.00 0.00 34.13 30.30 2k8p s GLU 58 CO 0.48 -0.42 0.36 -1.17 0.95 0.00 0.00 175.26 175.46 2k8p s LEU 59 N 1.47 4.73 -0.33 1.83 2.96 -0.20 -4.89 118.68 124.25 2k8p s LEU 59 Ca 0.02 -0.54 -0.29 0.00 -0.22 0.00 0.00 54.13 53.11 2k8p s LEU 59 Cb -0.17 -2.30 0.02 0.00 0.50 0.00 0.00 46.19 44.24 2k8p s LEU 59 CO 0.01 -0.44 1.07 -1.00 -1.32 0.00 0.00 176.35 174.68 2k8p s HIS 60 N 1.96 3.13 -0.17 5.38 3.76 -1.26 -0.10 115.29 127.99 2k8p s HIS 60 Ca 0.10 1.16 -0.07 0.00 -0.15 0.00 0.00 55.06 56.10 2k8p s HIS 60 Cb -0.17 -3.72 -0.04 0.00 1.11 0.00 0.00 32.58 29.76 2k8p s HIS 60 CO 0.12 -0.79 0.08 0.12 -0.85 0.00 0.00 174.74 173.42 2k8p s PHE 61 N 3.67 3.32 0.14 1.40 5.36 0.15 -4.94 117.98 127.08 2k8p s PHE 61 Ca 0.45 0.19 0.07 0.00 -0.96 0.00 0.00 56.93 56.69 2k8p s PHE 61 Cb -0.12 -2.05 -0.04 0.00 -0.34 0.00 0.00 43.02 40.47 2k8p s PHE 61 CO 0.16 0.28 -0.06 0.99 -1.46 0.00 0.00 175.22 175.13 2k8p s THR 62 N 0.08 3.49 -0.29 0.12 2.01 -1.26 -0.38 115.64 119.42 2k8p s THR 62 Ca 0.06 -1.36 -0.34 0.00 0.31 0.00 0.00 61.69 60.37 2k8p s THR 62 Cb -0.12 -2.69 0.18 0.00 0.01 0.00 0.00 72.50 69.88 2k8p s THR 62 CO 0.00 0.01 1.37 -0.13 -0.69 0.00 0.00 174.62 175.19 2k8p s ARG 63 N -2.53 0.04 -0.33 4.92 0.52 -0.94 -4.99 118.95 115.65 2k8p s ARG 63 Ca 0.24 -0.00 -0.20 0.00 -0.52 0.00 0.00 55.73 55.24 2k8p s ARG 63 Cb -0.10 0.02 -0.00 0.00 0.52 0.00 0.00 34.95 35.39 2k8p s ARG 63 CO 0.16 -0.02 0.62 0.71 0.02 0.00 0.00 175.30 176.79 2k8p s TYR 64 N -1.55 3.18 0.22 -0.53 1.51 -1.26 -0.10 117.35 118.82 2k8p s TYR 64 Ca 0.10 0.44 -0.12 0.00 -1.01 0.00 0.00 57.07 56.49 2k8p s TYR 64 Cb -0.01 -3.06 -0.07 0.00 -0.11 0.00 0.00 41.96 38.71 2k8p s TYR 64 CO -0.05 -0.55 0.57 0.54 -1.11 0.00 0.00 175.55 174.95 2k8p s VAL 65 N 2.64 4.88 -0.12 0.71 0.11 -1.26 -4.98 120.40 122.38 2k8p s VAL 65 Ca 0.24 0.64 -0.06 0.00 -2.93 0.00 0.00 61.98 59.87 2k8p s VAL 65 Cb -0.15 -3.65 0.05 0.00 -1.53 0.00 0.00 36.38 31.10 2k8p s VAL 65 CO 0.13 0.01 0.28 0.42 -3.33 0.00 0.00 175.10 172.61 2k8p s THR 66 N -1.74 -0.08 -0.30 5.04 -4.23 -1.26 -1.79 115.64 111.28 2k8p s THR 66 Ca 0.45 0.15 -0.02 0.00 -1.18 0.00 0.00 61.69 61.10 2k8p s THR 66 Cb -0.12 -0.43 0.10 0.00 1.34 0.00 0.00 72.50 73.38 2k8p s THR 66 CO 0.20 0.06 0.10 -0.62 -0.54 0.00 0.00 174.62 173.82 2k8p s ASP 67 N 1.42 3.84 0.00 3.99 2.15 -1.24 -5.03 116.67 121.80 2k8p s ASP 67 Ca -0.08 -1.50 0.00 0.00 0.43 0.00 0.00 52.55 51.40 2k8p s ASP 67 Cb -0.10 -0.73 0.00 0.00 -0.30 0.00 0.00 42.92 41.79 2k8p s ASP 67 CO -0.09 -0.41 0.00 0.61 -0.17 0.00 0.00 175.17 175.10 2k8p n GLY 68 N 4.95 -1.54 0.00 2.66 0.00 -1.26 -4.21 105.19 105.79 2k8p n GLY 68 Ca -0.03 -1.78 0.07 0.00 0.00 0.00 0.00 46.02 44.28 2k8p n GLY 68 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k8p n PRO 69 N 0.00 0.19 -3.58 1.61 -0.04 -1.26 -4.75 135.00 127.18 2k8p n PRO 69 Ca 0.00 0.16 -0.20 0.00 -0.04 0.00 0.00 63.50 63.42 2k8p n PRO 69 Cb 0.00 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.94 2k8p n PRO 69 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k8p s ARG 71 N -4.11 0.21 0.18 0.00 3.00 0.94 -3.71 118.95 115.47 2k8p s ARG 71 Ca 0.44 -0.20 -0.33 0.00 0.00 0.00 0.00 55.73 55.64 2k8p s ARG 71 Cb -0.08 -0.14 -0.14 0.00 0.00 0.00 0.00 34.95 34.60 2k8p s ARG 71 CO 0.29 0.03 1.57 -1.13 0.00 0.00 0.00 175.30 176.06 2k8p n SER 72 N 2.71 3.17 0.15 0.23 3.41 -0.74 -0.11 113.62 122.44 2k8p n SER 72 Ca -0.15 1.09 0.01 0.00 -0.26 0.00 0.00 58.87 59.56 2k8p n SER 72 Cb 0.58 -1.45 0.30 0.00 -0.26 0.00 0.00 64.21 63.39 2k8p n SER 72 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k8p h ALA 73 N 5.72 1.28 -2.23 7.33 0.00 -1.83 -3.45 119.26 126.07 2k8p h ALA 73 Ca -0.45 -0.37 -0.29 0.00 0.00 0.00 0.00 54.91 53.80 2k8p h ALA 73 Cb 1.25 -0.07 -0.15 0.00 0.00 0.00 0.00 17.79 18.82 2k8p h ALA 73 CO 0.87 0.52 -0.70 0.15 0.00 0.00 0.00 179.25 180.10 2k8p s LYS 74 N -4.14 0.98 0.26 0.00 1.02 -1.26 -5.12 119.74 111.48 2k8p s LYS 74 Ca -0.03 -1.42 -0.30 0.00 0.02 0.00 0.00 55.97 54.24 2k8p s LYS 74 Cb 0.14 -0.44 -0.09 0.00 -0.52 0.00 0.00 37.83 36.92 2k8p s LYS 74 CO 0.74 0.02 1.27 -1.25 -0.92 0.00 0.00 175.35 175.21 2k8p s PRO 75 N -3.80 4.43 0.13 -1.68 0.04 -1.26 -4.67 135.00 128.19 2k8p s PRO 75 Ca 0.16 2.05 -0.17 0.00 0.04 0.00 0.00 61.00 63.08 2k8p s PRO 75 Cb 0.04 -3.16 -0.07 0.00 0.04 0.00 0.00 34.50 31.35 2k8p s PRO 75 CO -0.01 -0.14 0.59 0.54 0.04 0.00 0.00 177.00 178.02 2k8p s VAL 76 N -0.53 4.76 -0.18 -0.36 0.11 0.86 -4.85 120.40 120.22 2k8p s VAL 76 Ca 0.52 1.05 -0.05 0.00 -2.93 0.00 0.00 61.98 60.57 2k8p s VAL 76 Cb -0.37 -3.82 -0.03 0.00 -1.53 0.00 0.00 36.38 30.64 2k8p s VAL 76 CO 0.43 0.35 -0.01 -0.89 -3.33 0.00 0.00 175.10 171.66 2k8p s THR 77 N -1.35 4.04 -0.10 5.04 2.01 -1.26 -2.22 115.64 121.80 2k8p s THR 77 Ca 0.35 -0.29 0.02 0.00 0.31 0.00 0.00 61.69 62.08 2k8p s THR 77 Cb -0.17 -2.80 0.02 0.00 0.01 0.00 0.00 72.50 69.55 2k8p s THR 77 CO 0.19 0.46 -0.14 -1.83 -0.69 0.00 0.00 174.62 172.62 2k8p s GLU 78 N 0.63 2.07 0.22 4.92 -1.05 0.49 -4.96 118.70 121.03 2k8p s GLU 78 Ca -0.01 -0.51 -0.30 0.00 -0.15 0.00 0.00 54.97 54.01 2k8p s GLU 78 Cb -0.14 -1.79 -0.09 0.00 -0.44 0.00 0.00 34.13 31.68 2k8p s GLU 78 CO 0.02 -0.07 1.17 -1.17 0.95 0.00 0.00 175.26 176.16 2k8p s LEU 79 N 1.01 4.48 0.13 1.83 0.20 -1.26 -0.67 118.68 124.40 2k8p s LEU 79 Ca -0.07 2.25 0.09 0.00 0.69 0.00 0.00 54.13 57.10 2k8p s LEU 79 Cb -0.15 -3.61 -0.04 0.00 -0.43 0.00 0.00 46.19 41.96 2k8p s LEU 79 CO -0.02 -0.30 -0.23 -0.69 -0.29 0.00 0.00 176.35 174.83 2k8p s VAL 80 N -0.43 1.94 -0.16 1.68 1.01 0.85 -3.89 120.40 121.39 2k8p s VAL 80 Ca 0.50 -1.69 -0.10 0.00 0.00 0.00 0.00 61.98 60.68 2k8p s VAL 80 Cb -0.32 -1.77 -0.05 0.00 0.00 0.00 0.00 36.38 34.24 2k8p s VAL 80 CO 0.39 -0.05 0.18 0.00 0.00 0.00 0.00 175.10 175.62 2k8p s SER 82 N -0.00 -0.23 0.00 0.00 0.15 -1.14 -4.94 113.70 107.55 2k8p s SER 82 Ca 0.12 -0.68 0.00 0.00 0.70 0.00 0.00 55.95 56.10 2k8p s SER 82 Cb -0.12 0.74 0.00 0.00 -1.71 0.00 0.00 66.02 64.94 2k8p s SER 82 CO 0.01 -1.39 0.00 0.61 1.20 0.00 0.00 173.24 173.67 2k8p n GLY 83 N -0.47 3.27 3.13 9.45 0.00 -1.26 -0.67 105.19 118.64 2k8p n GLY 83 Ca -0.05 -1.83 -0.33 0.00 0.00 0.00 0.00 46.02 43.81 2k8p n GLY 83 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k8p s GLN 84 N -2.32 2.77 -0.06 1.61 -1.52 -1.26 -4.98 119.66 113.89 2k8p s GLN 84 Ca 0.00 -0.99 -0.00 0.00 -1.95 0.00 0.00 55.36 52.41 2k8p s GLN 84 Cb 0.00 -2.75 -0.03 0.00 -0.22 0.00 0.00 33.01 30.01 2k8p s GLN 84 CO 0.00 -0.34 -0.02 0.00 -0.25 0.00 0.00 175.29 174.68 2k8p n GLY 86 N 1.99 -0.06 3.71 0.00 0.00 -1.26 -5.10 105.19 104.47 2k8p n GLY 86 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 2k8p n GLY 86 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k8p s PRO 87 N -0.45 1.06 -0.29 1.61 0.04 -1.26 -5.07 135.00 130.64 2k8p s PRO 87 Ca 0.00 0.75 0.01 0.00 0.04 0.00 0.00 61.00 61.80 2k8p s PRO 87 Cb 0.00 -1.79 0.18 0.00 0.04 0.00 0.00 34.50 32.93 2k8p s PRO 87 CO 0.00 -2.36 0.55 0.00 0.04 0.00 0.00 177.00 175.22 2k8p s ALA 88 N -2.94 -2.02 -0.42 8.56 0.00 -1.26 -4.94 121.76 118.74 2k8p s ALA 88 Ca 0.64 1.33 -0.04 0.00 0.00 0.00 0.00 51.96 53.89 2k8p s ALA 88 Cb -0.18 -2.19 0.11 0.00 0.00 0.00 0.00 23.12 20.86 2k8p s ALA 88 CO 0.57 -1.50 0.23 1.03 0.00 0.00 0.00 175.76 176.09 2k8p s ARG 89 N 2.77 2.09 0.66 0.00 1.81 -1.26 -5.09 118.95 119.93 2k8p s ARG 89 Ca 0.16 -1.83 -0.12 0.00 -1.72 0.00 0.00 55.73 52.22 2k8p s ARG 89 Cb -0.13 -3.64 -0.01 0.00 -0.45 0.00 0.00 34.95 30.72 2k8p s ARG 89 CO -0.23 -1.10 1.06 -0.51 -0.68 0.00 0.00 175.30 173.85 2k8p s LEU 90 N 1.15 3.25 0.81 2.53 1.02 -1.26 -5.03 118.68 121.16 2k8p s LEU 90 Ca 0.08 1.67 -0.11 0.00 0.02 0.00 0.00 54.13 55.80 2k8p s LEU 90 Cb -0.23 -4.51 0.08 0.00 0.02 0.00 0.00 46.19 41.55 2k8p s LEU 90 CO -0.04 -1.34 1.10 -0.76 0.02 0.00 0.00 176.35 175.33 2k8p s LEU 91 N -5.21 2.88 0.38 1.79 1.02 -1.26 -4.92 118.68 113.36 2k8p s LEU 91 Ca 0.60 1.84 0.28 0.00 0.02 0.00 0.00 54.13 56.86 2k8p s LEU 91 Cb -0.14 -4.44 1.15 0.00 0.02 0.00 0.00 46.19 42.77 2k8p s LEU 91 CO 0.49 -2.31 1.82 1.55 0.02 0.00 0.00 176.35 177.93 2k8p h PRO 92 N -1.32 0.00 0.00 1.29 0.13 -2.05 -2.91 132.00 127.14 2k8p h PRO 92 Ca -0.44 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.66 2k8p h PRO 92 Cb 1.24 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.31 2k8p h PRO 92 CO 0.50 0.00 -0.58 -1.71 -0.23 0.00 0.00 178.00 175.98 2k8p n ASN 93 N -2.57 1.60 -3.27 1.44 5.15 -1.26 -4.84 115.26 111.50 2k8p n ASN 93 Ca 0.01 -3.59 -0.29 0.00 -0.60 0.00 0.00 54.58 50.11 2k8p n ASN 93 Cb 0.25 -0.49 -0.05 0.00 -0.53 0.00 0.00 39.78 38.96 2k8p n ASN 93 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k8p n ALA 94 N -0.87 4.61 -2.26 5.20 0.00 -1.10 -5.04 120.51 121.05 2k8p n ALA 94 Ca 0.17 -4.74 -0.14 0.00 0.00 0.00 0.00 53.44 48.73 2k8p n ALA 94 Cb 0.76 -1.05 -0.10 0.00 0.00 0.00 0.00 19.45 19.06 2k8p n ALA 94 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2k8p s ILE 95 N -3.55 0.27 -0.14 0.00 -5.25 -1.26 -4.74 121.20 106.53 2k8p s ILE 95 Ca 0.43 -2.00 -0.14 0.00 -0.99 0.00 0.00 60.65 57.96 2k8p s ILE 95 Cb 0.20 -2.56 -0.05 0.00 2.95 0.00 0.00 42.46 43.00 2k8p s ILE 95 CO -0.07 0.00 -0.26 0.61 -1.79 0.00 0.00 174.94 173.43 2k8p n GLY 96 N -0.37 -0.58 3.61 6.27 0.00 -1.26 -5.09 105.19 107.77 2k8p n GLY 96 Ca 0.01 -0.25 -0.08 0.00 0.00 0.00 0.00 46.02 45.70 2k8p n GLY 96 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k8p s ARG 97 N -2.47 0.43 0.29 1.61 3.52 -1.26 -5.15 118.95 115.92 2k8p s ARG 97 Ca -0.22 0.27 0.00 0.00 -0.13 0.00 0.00 55.73 55.66 2k8p s ARG 97 Cb 0.03 0.21 0.00 0.00 -1.56 0.00 0.00 34.95 33.63 2k8p s ARG 97 CO 0.32 -0.10 0.00 0.41 -0.81 0.00 0.00 175.30 175.12 2k8p n GLY 98 N 1.32 -3.53 2.34 8.12 0.00 -1.26 -4.74 105.19 107.44 2k8p n GLY 98 Ca -0.10 -1.04 -0.33 0.00 0.00 0.00 0.00 46.02 44.55 2k8p n GLY 98 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k8p n LYS 99 N -1.78 2.95 -2.80 1.61 5.02 -1.26 -4.49 118.16 117.41 2k8p n LYS 99 Ca 0.00 -3.59 -0.02 0.00 -2.02 0.00 0.00 58.31 52.69 2k8p n LYS 99 Cb 0.18 -2.28 0.05 0.00 -0.02 0.00 0.00 35.03 32.96 2k8p n LYS 99 CO 0.00 0.00 0.00 -2.67 -0.52 0.00 0.00 177.40 174.21 2k8p n TRP 100 N -0.80 0.96 -3.52 2.13 2.14 -1.26 -5.02 117.44 112.07 2k8p n TRP 100 Ca 0.56 -2.20 -0.42 0.00 2.07 0.00 0.00 57.50 57.51 2k8p n TRP 100 Cb 0.68 -0.10 -0.06 0.00 -0.81 0.00 0.00 31.31 31.02 2k8p n TRP 100 CO 0.00 0.00 0.00 -0.46 2.07 0.00 0.00 177.69 179.30 2k8p s TRP 101 N -3.38 3.59 0.17 -2.67 -0.11 -1.26 -5.06 118.94 110.21 2k8p s TRP 101 Ca 0.26 -2.34 0.03 0.00 1.22 0.00 0.00 56.10 55.27 2k8p s TRP 101 Cb 0.35 -3.52 -0.03 0.00 -1.50 0.00 0.00 33.47 28.77 2k8p s TRP 101 CO -0.04 -0.92 0.27 -0.98 -4.62 0.00 0.00 176.95 170.66 2k8p s ARG 102 N 0.05 3.33 0.45 5.86 1.70 -1.26 -5.09 118.95 123.99 2k8p s ARG 102 Ca 0.17 -0.69 -0.23 0.00 -0.47 0.00 0.00 55.73 54.51 2k8p s ARG 102 Cb -0.15 -2.88 -0.07 0.00 -0.57 0.00 0.00 34.95 31.27 2k8p s ARG 102 CO -0.06 0.50 1.17 -1.25 -1.08 0.00 0.00 175.30 174.57 2k8p s PRO 103 N -3.35 3.78 -0.28 3.89 0.04 -1.26 -4.97 135.00 132.85 2k8p s PRO 103 Ca 0.34 1.78 0.08 0.00 0.04 0.00 0.00 61.00 63.24 2k8p s PRO 103 Cb -0.10 -2.43 0.45 0.00 0.04 0.00 0.00 34.50 32.46 2k8p s PRO 103 CO 0.28 -0.54 1.21 0.45 0.04 0.00 0.00 177.00 178.44 2k8p n SER 104 N -0.44 4.18 0.00 6.66 2.88 -1.26 -4.92 113.62 120.72 2k8p n SER 104 Ca 0.07 -3.79 0.00 0.00 -1.33 0.00 0.00 58.87 53.82 2k8p n SER 104 Cb 0.48 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 2k8p n SER 104 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k8p n GLY 105 N -0.81 0.76 3.65 0.46 0.00 -1.26 -5.06 105.19 102.93 2k8p n GLY 105 Ca 0.38 -0.71 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 2k8p n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k8p s PRO 106 N -1.31 -0.03 0.29 1.61 0.04 -1.26 -4.83 135.00 129.51 2k8p s PRO 106 Ca 0.00 0.35 0.00 0.00 0.04 0.00 0.00 61.00 61.39 2k8p s PRO 106 Cb 0.00 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.84 2k8p s PRO 106 CO 0.00 -3.00 0.00 -3.47 0.04 0.00 0.00 177.00 170.57 2k8p n ASP 107 N -4.34 -2.38 -4.48 6.66 2.03 -1.26 -5.08 116.55 107.70 2k8p n ASP 107 Ca 0.07 0.55 -0.47 0.00 0.52 0.00 0.00 54.79 55.46 2k8p n ASP 107 Cb 0.58 2.38 -0.06 0.00 -0.72 0.00 0.00 41.12 43.29 2k8p n ASP 107 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 2k8p n PHE 108 N -3.12 1.57 0.00 -0.67 7.35 -1.26 -4.85 117.46 116.48 2k8p n PHE 108 Ca 0.00 0.20 0.00 0.00 -0.76 0.00 0.00 57.45 56.89 2k8p n PHE 108 Cb 0.00 -2.57 0.00 0.00 0.35 0.00 0.00 39.48 37.26 2k8p n PHE 108 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2k8p n ARG 109 N 8.41 0.00 -3.99 -4.13 1.74 -1.26 -4.13 116.66 113.30 2k8p n ARG 109 Ca 0.41 0.21 -0.36 0.00 -0.77 0.00 0.00 57.85 57.34 2k8p n ARG 109 Cb 0.29 -0.66 -0.08 0.00 -1.02 0.00 0.00 32.46 30.99 2k8p n ARG 109 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2k8p s ILE 111 N -0.44 3.92 1.15 0.00 -4.36 0.12 -4.97 121.20 116.61 2k8p s ILE 111 Ca 0.11 -0.70 -0.17 0.00 -0.26 0.00 0.00 60.65 59.62 2k8p s ILE 111 Cb -0.12 -2.73 0.26 0.00 1.25 0.00 0.00 42.46 41.12 2k8p s ILE 111 CO 0.02 0.37 1.11 -2.16 0.24 0.00 0.00 174.94 174.52 2k8p s PRO 112 N -1.53 -0.79 0.05 0.37 0.04 -1.26 -1.63 135.00 130.26 2k8p s PRO 112 Ca 0.19 0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.31 2k8p s PRO 112 Cb -0.11 -1.63 -0.00 0.00 0.04 0.00 0.00 34.50 32.79 2k8p s PRO 112 CO 0.09 -3.46 0.06 -3.47 0.04 0.00 0.00 177.00 170.27 2k8p n ASP 113 N -4.61 -0.17 -4.54 6.66 -0.08 -1.22 -4.47 116.55 108.13 2k8p n ASP 113 Ca 0.11 -1.32 -0.40 0.00 -1.51 0.00 0.00 54.79 51.67 2k8p n ASP 113 Cb 0.59 0.34 0.02 0.00 2.34 0.00 0.00 41.12 44.41 2k8p n ASP 113 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2k8p n ARG 114 N -0.09 0.87 -3.42 -0.67 3.00 -1.26 -4.62 116.66 110.46 2k8p n ARG 114 Ca 0.01 0.32 -0.22 0.00 -0.00 0.00 0.00 57.85 57.96 2k8p n ARG 114 Cb 0.09 -1.85 0.01 0.00 0.00 0.00 0.00 32.46 30.72 2k8p n ARG 114 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 2k8p s TYR 115 N -1.47 1.96 -0.09 -0.14 1.51 -1.26 -0.91 117.35 116.94 2k8p s TYR 115 Ca 0.67 -0.67 -0.07 0.00 -1.01 0.00 0.00 57.07 55.99 2k8p s TYR 115 Cb -0.52 -2.13 0.03 0.00 -0.11 0.00 0.00 41.96 39.24 2k8p s TYR 115 CO 0.55 -0.61 0.24 1.03 -1.11 0.00 0.00 175.55 175.64 2k8p s ARG 116 N -4.38 0.24 -0.16 -0.62 0.52 0.97 -4.51 118.95 111.01 2k8p s ARG 116 Ca 0.49 0.41 -0.11 0.00 -0.52 0.00 0.00 55.73 56.00 2k8p s ARG 116 Cb -0.05 0.03 -0.05 0.00 0.52 0.00 0.00 34.95 35.41 2k8p s ARG 116 CO 0.30 -0.09 0.19 0.00 0.02 0.00 0.00 175.30 175.72 2k8p s ALA 117 N 0.58 3.71 -0.16 2.13 0.00 -1.26 -0.60 121.76 126.17 2k8p s ALA 117 Ca -0.04 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.33 2k8p s ALA 117 Cb -0.05 -2.19 0.00 0.00 0.00 0.00 0.00 23.12 20.88 2k8p s ALA 117 CO -0.03 0.26 -0.16 -1.14 0.00 0.00 0.00 175.76 174.69 2k8p s GLN 118 N -0.01 3.19 -0.24 0.00 0.74 0.78 -4.87 119.66 119.25 2k8p s GLN 118 Ca 0.13 -0.76 -0.17 0.00 0.05 0.00 0.00 55.36 54.61 2k8p s GLN 118 Cb -0.12 -2.62 -0.03 0.00 1.10 0.00 0.00 33.01 31.34 2k8p s GLN 118 CO 0.02 -0.01 0.46 1.03 -0.55 0.00 0.00 175.29 176.23 2k8p s ARG 119 N 0.88 4.10 0.14 1.67 0.52 -1.26 0.01 118.95 125.01 2k8p s ARG 119 Ca -0.04 0.25 0.07 0.00 -0.52 0.00 0.00 55.73 55.48 2k8p s ARG 119 Cb -0.15 -3.61 -0.04 0.00 0.52 0.00 0.00 34.95 31.67 2k8p s ARG 119 CO -0.01 -0.23 -0.02 0.54 0.02 0.00 0.00 175.30 175.60 2k8p s VAL 120 N 1.90 3.74 -0.39 3.52 0.11 0.71 -4.92 120.40 125.08 2k8p s VAL 120 Ca 0.20 -1.28 -0.09 0.00 -2.93 0.00 0.00 61.98 57.88 2k8p s VAL 120 Cb -0.15 -2.83 0.06 0.00 -1.53 0.00 0.00 36.38 31.92 2k8p s VAL 120 CO 0.09 -0.01 0.20 -1.58 -3.33 0.00 0.00 175.10 170.47 2k8p s GLN 121 N -2.65 2.63 0.03 1.54 0.74 -1.26 -1.32 119.66 119.37 2k8p s GLN 121 Ca 0.26 -1.32 -0.18 0.00 0.05 0.00 0.00 55.36 54.17 2k8p s GLN 121 Cb -0.10 -3.67 -0.06 0.00 1.10 0.00 0.00 33.01 30.28 2k8p s GLN 121 CO 0.18 -0.82 0.51 -0.51 -0.55 0.00 0.00 175.29 174.09 2k8p s LEU 122 N 1.43 4.48 0.05 3.68 1.43 0.47 -2.56 118.68 127.67 2k8p s LEU 122 Ca 0.02 1.12 0.01 0.00 -1.03 0.00 0.00 54.13 54.25 2k8p s LEU 122 Cb -0.21 -2.78 -0.04 0.00 0.03 0.00 0.00 46.19 43.19 2k8p s LEU 122 CO 0.03 0.26 0.13 -0.76 0.23 0.00 0.00 176.35 176.24 2k8p s LEU 123 N -0.89 4.06 0.27 1.79 2.01 0.85 -0.09 118.68 126.67 2k8p s LEU 123 Ca 0.27 0.14 0.10 0.00 0.01 0.00 0.00 54.13 54.66 2k8p s LEU 123 Cb -0.18 -2.63 -0.05 0.00 0.01 0.00 0.00 46.19 43.35 2k8p s LEU 123 CO 0.16 0.20 -0.07 0.00 1.01 0.00 0.00 176.35 177.65 2k8p s PRO 125 N -3.62 -0.33 4.76 0.00 0.04 -1.26 -4.58 135.00 130.02 2k8p s PRO 125 Ca 0.31 0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.61 2k8p s PRO 125 Cb -0.06 -1.67 0.00 0.00 0.04 0.00 0.00 34.50 32.81 2k8p s PRO 125 CO 0.18 -3.18 0.00 0.41 0.04 0.00 0.00 177.00 174.45 2k8p n GLY 126 N -1.00 3.23 0.77 0.56 0.00 -1.26 -1.96 105.19 105.53 2k8p n GLY 126 Ca 0.08 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.16 2k8p n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k8p n GLY 127 N 0.00 3.56 3.72 -0.02 0.00 -1.26 -5.01 105.19 106.18 2k8p n GLY 127 Ca 0.00 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 2k8p n GLY 127 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k8p s GLU 128 N -2.11 4.34 0.89 1.61 2.02 -0.83 -4.99 118.70 119.63 2k8p s GLU 128 Ca 0.34 2.05 -0.10 0.00 0.02 0.00 0.00 54.97 57.28 2k8p s GLU 128 Cb 0.25 -3.24 0.13 0.00 0.10 0.00 0.00 34.13 31.37 2k8p s GLU 128 CO 0.11 -0.39 1.14 0.00 0.02 0.00 0.00 175.26 176.14 2k8p s ALA 129 N 0.91 1.60 1.09 5.21 0.00 -1.26 -4.07 121.76 125.24 2k8p s ALA 129 Ca 0.63 0.53 -0.08 0.00 0.00 0.00 0.00 51.96 53.04 2k8p s ALA 129 Cb -0.36 -3.42 0.12 0.00 0.00 0.00 0.00 23.12 19.45 2k8p s ALA 129 CO 0.32 -2.60 0.41 -0.35 0.00 0.00 0.00 175.76 173.54 2k8p n PRO 130 N -4.12 -1.83 -3.70 0.00 -0.04 -1.26 -4.35 135.00 119.70 2k8p n PRO 130 Ca 0.11 -0.66 -0.11 0.00 -0.04 0.00 0.00 63.50 62.81 2k8p n PRO 130 Cb 0.52 -0.62 -0.11 0.00 -0.04 0.00 0.00 33.50 33.25 2k8p n PRO 130 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2k8p s ARG 131 N -3.93 0.33 -0.08 0.54 0.52 0.86 -4.95 118.95 112.24 2k8p s ARG 131 Ca 0.27 0.72 -0.21 0.00 -0.52 0.00 0.00 55.73 55.99 2k8p s ARG 131 Cb -0.03 -0.05 -0.04 0.00 0.52 0.00 0.00 34.95 35.36 2k8p s ARG 131 CO 0.20 -0.16 0.60 0.00 0.02 0.00 0.00 175.30 175.96 2k8p s ALA 132 N 1.40 3.41 -0.03 2.13 0.00 -1.26 -0.39 121.76 127.02 2k8p s ALA 132 Ca -0.09 -0.01 0.04 0.00 0.00 0.00 0.00 51.96 51.90 2k8p s ALA 132 Cb -0.09 -2.80 -0.00 0.00 0.00 0.00 0.00 23.12 20.22 2k8p s ALA 132 CO -0.12 -0.03 -0.15 0.50 0.00 0.00 0.00 175.76 175.97 2k8p s ARG 133 N 0.60 1.42 -0.16 0.00 3.00 -0.43 -4.95 118.95 118.44 2k8p s ARG 133 Ca 0.32 -0.52 -0.10 0.00 -1.00 0.00 0.00 55.73 54.43 2k8p s ARG 133 Cb -0.17 -1.29 -0.05 0.00 0.00 0.00 0.00 34.95 33.44 2k8p s ARG 133 CO 0.15 0.24 0.18 0.21 0.00 0.00 0.00 175.30 176.08 2k8p s LYS 134 N -0.05 3.96 -0.18 5.12 2.20 -1.26 -0.21 119.74 129.32 2k8p s LYS 134 Ca -0.01 -0.10 0.01 0.00 -0.36 0.00 0.00 55.97 55.51 2k8p s LYS 134 Cb -0.09 -3.34 0.02 0.00 -1.51 0.00 0.00 37.83 32.91 2k8p s LYS 134 CO 0.01 0.46 -0.20 0.08 -0.36 0.00 0.00 175.35 175.34 2k8p s VAL 135 N -0.12 2.12 -0.56 4.02 1.01 0.10 -4.90 120.40 122.08 2k8p s VAL 135 Ca 0.13 -0.92 -0.23 0.00 0.00 0.00 0.00 61.98 60.95 2k8p s VAL 135 Cb -0.12 -1.89 0.05 0.00 0.00 0.00 0.00 36.38 34.42 2k8p s VAL 135 CO 0.02 0.54 0.90 -0.60 0.00 0.00 0.00 175.10 175.95 2k8p s ARG 136 N 1.23 3.27 0.04 2.72 3.52 -1.26 -0.16 118.95 128.32 2k8p s ARG 136 Ca 0.03 -0.43 0.08 0.00 -0.13 0.00 0.00 55.73 55.28 2k8p s ARG 136 Cb -0.13 -4.08 -0.03 0.00 -1.56 0.00 0.00 34.95 29.15 2k8p s ARG 136 CO -0.11 -1.49 -0.23 -0.48 -0.81 0.00 0.00 175.30 172.18 2k8p s LEU 137 N 3.78 2.17 0.28 -0.88 2.34 0.23 -4.95 118.68 121.65 2k8p s LEU 137 Ca 0.27 -0.55 -0.28 0.00 0.06 0.00 0.00 54.13 53.63 2k8p s LEU 137 Cb -0.14 -1.08 -0.14 0.00 -0.56 0.00 0.00 46.19 44.27 2k8p s LEU 137 CO 0.17 0.19 1.05 0.52 -1.06 0.00 0.00 176.35 177.22 2k8p n VAL 138 N 1.81 1.89 -0.10 1.48 0.31 -1.25 -0.02 118.33 122.45 2k8p n VAL 138 Ca -0.17 -0.47 -0.14 0.00 -0.01 0.00 0.00 64.34 63.55 2k8p n VAL 138 Cb 0.53 -1.03 -0.11 0.00 -0.91 0.00 0.00 33.84 32.32 2k8p n VAL 138 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k8p n ALA 139 N 0.36 1.54 -4.15 3.52 0.00 -0.09 -4.00 120.51 117.69 2k8p n ALA 139 Ca 0.10 -0.99 -0.21 0.00 0.00 0.00 0.00 53.44 52.34 2k8p n ALA 139 Cb 0.32 -0.03 -0.07 0.00 0.00 0.00 0.00 19.45 19.66 2k8p n ALA 139 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2k8p n SER 140 N -3.03 -0.64 -3.63 0.00 3.41 -0.61 -4.99 113.62 104.12 2k8p n SER 140 Ca -0.37 -3.01 -0.07 0.00 -0.26 0.00 0.00 58.87 55.17 2k8p n SER 140 Cb 0.95 1.53 -0.06 0.00 -0.26 0.00 0.00 64.21 66.37 2k8p n SER 140 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k8p s LYS 142 N -0.13 0.65 -0.25 0.00 0.00 -0.64 -4.89 119.74 114.48 2k8p s LYS 142 Ca 0.04 -0.96 0.01 0.00 0.00 0.00 0.00 55.97 55.05 2k8p s LYS 142 Cb -0.04 -0.30 0.07 0.00 0.00 0.00 0.00 37.83 37.56 2k8p s LYS 142 CO -0.08 0.04 -0.03 0.00 0.00 0.00 0.00 175.35 175.28 2k8p s LYS 144 N 1.38 0.25 0.90 0.00 2.20 -1.16 -4.85 119.74 118.47 2k8p s LYS 144 Ca -0.04 0.48 -0.11 0.00 -0.36 0.00 0.00 55.97 55.95 2k8p s LYS 144 Cb -0.19 -0.01 0.13 0.00 -1.51 0.00 0.00 37.83 36.25 2k8p s LYS 144 CO -0.08 -0.12 1.13 2.89 -0.36 0.00 0.00 175.35 178.82 2k8p n ARG 145 N 3.75 -0.35 -3.57 4.03 -4.01 -1.26 -4.77 116.66 110.48 2k8p n ARG 145 Ca -0.20 -0.03 -0.07 0.00 -1.04 0.00 0.00 57.85 56.50 2k8p n ARG 145 Cb 0.55 -2.37 -0.03 0.00 -3.04 0.00 0.00 32.46 27.57 2k8p n ARG 145 CO 0.00 0.00 0.00 -1.17 -3.04 0.00 0.00 177.63 173.42 2k8p s LEU 146 N -6.25 -0.27 0.16 2.89 2.96 -1.26 -5.09 118.68 111.82 2k8p s LEU 146 Ca 0.68 0.16 0.04 0.00 -0.22 0.00 0.00 54.13 54.79 2k8p s LEU 146 Cb -0.24 1.70 -0.04 0.00 0.50 0.00 0.00 46.19 48.11 2k8p s LEU 146 CO 0.57 -0.35 0.17 -0.89 -1.32 0.00 0.00 176.35 174.53 2k8p s THR 147 N -1.95 4.68 0.06 3.68 2.01 -1.26 -4.36 115.64 118.49 2k8p s THR 147 Ca 0.04 -0.99 0.02 0.00 0.31 0.00 0.00 61.69 61.08 2k8p s THR 147 Cb -0.01 -3.39 -0.03 0.00 0.01 0.00 0.00 72.50 69.08 2k8p s THR 147 CO -0.04 -0.10 -0.08 -0.13 -0.69 0.00 0.00 174.62 173.58 2k8p s ARG 148 N -3.13 0.63 -0.09 4.92 0.52 -1.26 -5.05 118.95 115.49 2k8p s ARG 148 Ca 0.32 -0.92 0.07 0.00 -0.52 0.00 0.00 55.73 54.68 2k8p s ARG 148 Cb -0.10 -0.33 -0.11 0.00 0.52 0.00 0.00 34.95 34.93 2k8p s ARG 148 CO 0.25 0.05 0.01 1.97 0.02 0.00 0.00 175.30 177.60 2k8p n PHE 149 N 1.07 0.00 -2.28 -0.53 1.16 -1.26 -4.99 117.46 110.63 2k8p n PHE 149 Ca -0.20 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 55.00 2k8p n PHE 149 Cb 0.56 -0.45 -0.02 0.00 -1.61 0.00 0.00 39.48 37.97 2k8p n PHE 149 CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 2k8p s HIS 150 N -2.22 3.00 0.68 2.97 2.46 -1.26 -5.04 115.29 115.88 2k8p s HIS 150 Ca -0.06 1.55 -0.04 0.00 0.47 0.00 0.00 55.06 56.98 2k8p s HIS 150 Cb 0.03 -3.39 0.08 0.00 -0.13 0.00 0.00 32.58 29.17 2k8p s HIS 150 CO 0.36 -1.38 0.97 -0.80 -2.47 0.00 0.00 174.74 171.41 2k8p s ASN 151 N -1.22 4.72 -0.41 9.88 0.01 -1.26 -5.06 114.94 121.60 2k8p s ASN 151 Ca 0.59 0.14 -0.11 0.00 -0.71 0.00 0.00 52.86 52.76 2k8p s ASN 151 Cb -0.30 -0.75 0.05 0.00 0.41 0.00 0.00 41.25 40.67 2k8p s ASN 151 CO 0.37 -1.61 0.27 -1.10 -1.51 0.00 0.00 177.10 173.52 2k8p s GLN 152 N -5.14 2.78 -1.23 -0.60 -1.52 -1.26 -5.01 119.66 107.68 2k8p s GLN 152 Ca 0.62 -1.27 -0.14 0.00 -1.95 0.00 0.00 55.36 52.62 2k8p s GLN 152 Cb -0.09 -3.84 0.16 0.00 -0.22 0.00 0.00 33.01 29.02 2k8p s GLN 152 CO 0.43 -0.86 1.52 -1.13 -0.25 0.00 0.00 175.29 175.01 2k8p n SER 153 N 5.02 5.17 -2.67 5.90 3.41 -1.26 -4.75 113.62 124.44 2k8p n SER 153 Ca -0.11 -2.99 -0.20 0.00 -0.26 0.00 0.00 58.87 55.32 2k8p n SER 153 Cb 0.44 -1.58 0.00 0.00 -0.26 0.00 0.00 64.21 62.82 2k8p n SER 153 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2k8p n GLU 154 N 5.70 2.32 -3.27 4.33 1.02 -1.26 -5.02 120.64 124.47 2k8p n GLU 154 Ca 0.38 -3.98 -0.46 0.00 -0.02 0.00 0.00 57.16 53.09 2k8p n GLU 154 Cb 0.42 -1.83 -0.04 0.00 -0.02 0.00 0.00 31.44 29.98 2k8p n GLU 154 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k8p s LEU 155 N -3.27 6.24 0.12 -4.62 1.02 -1.26 -5.02 118.68 111.89 2k8p s LEU 155 Ca 0.40 -2.10 0.01 0.00 0.02 0.00 0.00 54.13 52.45 2k8p s LEU 155 Cb 0.40 -2.23 -0.04 0.00 0.02 0.00 0.00 46.19 44.34 2k8p s LEU 155 CO -0.09 -0.80 -0.01 -0.54 0.02 0.00 0.00 176.35 174.94 2k8p s LYS 156 N 1.26 0.92 -0.29 1.70 1.02 -1.26 -5.14 119.74 117.95 2k8p s LYS 156 Ca 0.12 -1.41 0.01 0.00 0.02 0.00 0.00 55.97 54.71 2k8p s LYS 156 Cb -0.20 -0.05 0.15 0.00 -0.52 0.00 0.00 37.83 37.21 2k8p s LYS 156 CO -0.02 -0.13 0.37 -0.51 -0.92 0.00 0.00 175.35 174.14 2k8p s ASP 157 N -3.07 0.84 -0.27 2.83 1.01 -1.26 -5.11 116.67 111.64 2k8p s ASP 157 Ca 0.18 -0.51 -0.00 0.00 0.71 0.00 0.00 52.55 52.93 2k8p s ASP 157 Cb 0.07 0.89 0.16 0.00 1.01 0.00 0.00 42.92 45.05 2k8p s ASP 157 CO -0.01 -0.37 0.48 -0.36 0.21 0.00 0.00 175.17 175.12 2k8p s PHE 158 N 2.48 -1.22 0.00 4.23 0.08 -1.26 -5.16 117.98 117.13 2k8p s PHE 158 Ca 0.10 1.05 0.00 0.00 0.12 0.00 0.00 56.93 58.20 2k8p s PHE 158 Cb -0.13 0.20 0.00 0.00 -0.57 0.00 0.00 43.02 42.52 2k8p s PHE 158 CO -0.31 -0.86 0.00 0.41 -0.10 0.00 0.00 175.22 174.36 2k8p n GLY 159 N 5.39 -0.91 3.28 4.36 0.00 -1.26 -5.10 105.19 110.95 2k8p n GLY 159 Ca -0.01 -1.52 -0.10 0.00 0.00 0.00 0.00 46.02 44.39 2k8p n GLY 159 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k8p s THR 160 N 0.00 -0.19 -0.09 2.61 -4.23 -1.26 -5.16 115.64 107.32 2k8p s THR 160 Ca 0.00 0.11 -0.08 0.00 -1.18 0.00 0.00 61.69 60.54 2k8p s THR 160 Cb 0.00 -0.64 0.03 0.00 1.34 0.00 0.00 72.50 73.23 2k8p s THR 160 CO 0.00 0.05 0.25 -1.61 -0.54 0.00 0.00 174.62 172.76 2k8p s GLU 161 N 1.74 0.28 0.06 3.99 2.02 -1.26 -5.16 118.70 120.36 2k8p s GLU 161 Ca -0.07 0.37 -0.01 0.00 0.02 0.00 0.00 54.97 55.27 2k8p s GLU 161 Cb -0.09 0.11 0.01 0.00 0.10 0.00 0.00 34.13 34.25 2k8p s GLU 161 CO -0.13 -0.05 0.10 0.00 0.02 0.00 0.00 175.26 175.20 2k8p n ALA 162 N 3.11 -0.18 -3.63 5.21 0.00 -1.26 -5.19 120.51 118.57 2k8p n ALA 162 Ca -0.14 -0.22 -0.03 0.00 0.00 0.00 0.00 53.44 53.04 2k8p n ALA 162 Cb 0.58 0.18 -0.04 0.00 0.00 0.00 0.00 19.45 20.17 2k8p n ALA 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k8p s ALA 163 N -1.42 -2.10 -0.07 0.00 0.00 -1.26 -5.18 121.76 111.72 2k8p s ALA 163 Ca 0.03 1.85 -0.06 0.00 0.00 0.00 0.00 51.96 53.79 2k8p s ALA 163 Cb -0.01 -1.32 0.02 0.00 0.00 0.00 0.00 23.12 21.82 2k8p s ALA 163 CO 0.02 -0.28 0.18 0.50 0.00 0.00 0.00 175.76 176.19 2k8p s ARG 164 N -1.14 0.19 0.42 0.00 3.52 -1.26 -5.15 118.95 115.53 2k8p s ARG 164 Ca 0.08 0.30 -0.25 0.00 -0.13 0.00 0.00 55.73 55.73 2k8p s ARG 164 Cb -0.01 0.04 -0.08 0.00 -1.56 0.00 0.00 34.95 33.34 2k8p s ARG 164 CO -0.06 -0.06 1.18 -1.25 -0.81 0.00 0.00 175.30 174.30 2k8p s PRO 165 N 0.36 3.96 -0.04 5.12 0.04 -1.26 -5.05 135.00 138.14 2k8p s PRO 165 Ca -0.02 1.86 0.03 0.00 0.04 0.00 0.00 61.00 62.91 2k8p s PRO 165 Cb -0.04 -2.62 0.00 0.00 0.04 0.00 0.00 34.50 31.89 2k8p s PRO 165 CO -0.02 -0.40 -0.12 1.14 0.04 0.00 0.00 177.00 177.65 2k8p s GLN 166 N -2.39 1.27 0.04 4.56 -2.07 -1.26 -5.14 119.66 114.66 2k8p s GLN 166 Ca 0.59 -0.40 0.03 0.00 -1.82 0.00 0.00 55.36 53.76 2k8p s GLN 166 Cb -0.31 -1.14 -0.04 0.00 -1.09 0.00 0.00 33.01 30.43 2k8p s GLN 166 CO 0.39 0.14 -0.02 -1.59 -1.32 0.00 0.00 175.29 172.89 2k8p s LYS 167 N 0.22 2.63 0.00 9.60 -2.85 -1.26 -5.12 119.74 122.95 2k8p s LYS 167 Ca -0.05 -0.73 0.00 0.00 -1.00 0.00 0.00 55.97 54.19 2k8p s LYS 167 Cb -0.10 -2.57 0.00 0.00 -2.06 0.00 0.00 37.83 33.09 2k8p s LYS 167 CO 0.01 0.59 0.00 0.41 0.10 0.00 0.00 175.35 176.46 2k8p n GLY 168 N 1.10 1.44 3.64 0.59 0.00 -1.26 -5.17 105.19 105.53 2k8p n GLY 168 Ca -0.13 -0.88 -0.11 0.00 0.00 0.00 0.00 46.02 44.90 2k8p n GLY 168 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2k8p s ARG 169 N 4.50 1.96 -0.43 1.61 1.70 -1.26 -5.12 118.95 121.92 2k8p s ARG 169 Ca 0.00 -1.52 0.02 0.00 -0.47 0.00 0.00 55.73 53.76 2k8p s ARG 169 Cb 0.00 0.52 0.24 0.00 -0.57 0.00 0.00 34.95 35.14 2k8p s ARG 169 CO 0.00 -0.86 1.00 1.17 -1.08 0.00 0.00 175.30 175.53 2k8p n LYS 170 N -0.52 0.48 -2.26 3.89 4.81 -1.26 -5.16 118.16 118.14 2k8p n LYS 170 Ca -0.03 -1.35 -0.37 0.00 -0.87 0.00 0.00 58.31 55.69 2k8p n LYS 170 Cb 0.61 -0.93 -0.01 0.00 0.02 0.00 0.00 35.03 34.73 2k8p n LYS 170 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2k8p s PRO 171 N 0.56 3.65 -0.40 1.64 0.04 -1.26 -5.02 135.00 134.22 2k8p s PRO 171 Ca 0.29 1.73 0.08 0.00 0.04 0.00 0.00 61.00 63.14 2k8p s PRO 171 Cb 0.18 -2.30 0.25 0.00 0.04 0.00 0.00 34.50 32.67 2k8p s PRO 171 CO -0.16 -0.63 0.55 2.89 0.04 0.00 0.00 177.00 179.70 2k8p n ARG 172 N -0.70 0.70 -1.17 4.56 1.85 -1.26 -5.13 116.66 115.50 2k8p n ARG 172 Ca 0.08 -3.06 -0.29 0.00 -1.00 0.00 0.00 57.85 53.58 2k8p n ARG 172 Cb 0.49 -1.25 0.17 0.00 -1.05 0.00 0.00 32.46 30.81 2k8p n ARG 172 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 2k8p s PRO 173 N -0.94 0.58 -0.01 2.89 0.04 -1.26 -5.07 135.00 131.23 2k8p s PRO 173 Ca 0.35 0.58 0.08 0.00 0.04 0.00 0.00 61.00 62.04 2k8p s PRO 173 Cb 0.17 -1.75 -0.02 0.00 0.04 0.00 0.00 34.50 32.94 2k8p s PRO 173 CO -0.13 -2.65 -0.25 -0.98 0.04 0.00 0.00 177.00 173.03 2k8p s ARG 174 N -4.96 2.00 0.21 4.56 1.70 -1.26 -5.14 118.95 116.06 2k8p s ARG 174 Ca 0.65 -0.94 0.06 0.00 -0.47 0.00 0.00 55.73 55.03 2k8p s ARG 174 Cb -0.18 -1.97 -0.04 0.00 -0.57 0.00 0.00 34.95 32.19 2k8p s ARG 174 CO 0.57 0.54 0.18 0.00 -1.08 0.00 0.00 175.30 175.51 2k8p s ALA 175 N -0.63 3.60 0.24 7.88 0.00 -1.26 -5.13 121.76 126.47 2k8p s ALA 175 Ca 0.10 -1.31 0.05 0.00 0.00 0.00 0.00 51.96 50.81 2k8p s ALA 175 Cb -0.10 -1.36 -0.03 0.00 0.00 0.00 0.00 23.12 21.63 2k8p s ALA 175 CO -0.00 0.38 0.32 1.03 0.00 0.00 0.00 175.76 177.48 2k8p s ARG 176 N -3.48 3.32 0.24 0.00 3.00 -1.26 -5.13 118.95 115.64 2k8p s ARG 176 Ca 0.32 -0.83 0.04 0.00 0.00 0.00 0.00 55.73 55.26 2k8p s ARG 176 Cb -0.09 -2.82 -0.05 0.00 0.00 0.00 0.00 34.95 31.99 2k8p s ARG 176 CO 0.24 0.42 -0.01 0.45 0.00 0.00 0.00 175.30 176.41 2k8p s SER 177 N -3.94 1.98 -0.28 0.23 0.15 -1.26 -5.13 113.70 105.45 2k8p s SER 177 Ca 0.34 -1.21 -0.08 0.00 0.70 0.00 0.00 55.95 55.69 2k8p s SER 177 Cb -0.09 -0.02 -0.02 0.00 -1.71 0.00 0.00 66.02 64.19 2k8p s SER 177 CO 0.28 -0.49 0.11 0.00 1.20 0.00 0.00 173.24 174.34 2k8p s ALA 178 N -3.35 3.21 -0.46 5.45 0.00 -1.26 -4.97 121.76 120.38 2k8p s ALA 178 Ca 0.29 -1.27 0.04 0.00 0.00 0.00 0.00 51.96 51.01 2k8p s ALA 178 Cb 0.05 -2.22 0.50 0.00 0.00 0.00 0.00 23.12 21.45 2k8p s ALA 178 CO 0.09 -0.71 1.68 1.63 0.00 0.00 0.00 175.76 178.46 2k8p n LYS 179 N 4.94 2.64 -0.39 0.00 5.02 -1.26 -5.03 118.16 124.08 2k8p n LYS 179 Ca -0.15 -3.44 -0.30 0.00 -2.02 0.00 0.00 58.31 52.41 2k8p n LYS 179 Cb 0.50 -2.16 0.28 0.00 -0.02 0.00 0.00 35.03 33.63 2k8p n LYS 179 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k8p s ALA 180 N -3.56 -0.79 0.23 7.82 0.00 -1.26 -5.07 121.76 119.13 2k8p s ALA 180 Ca 0.56 -0.56 -0.03 0.00 0.00 0.00 0.00 51.96 51.93 2k8p s ALA 180 Cb 0.46 -3.06 -0.03 0.00 0.00 0.00 0.00 23.12 20.49 2k8p s ALA 180 CO 0.02 -4.42 0.23 0.54 0.00 0.00 0.00 175.76 172.13 2k8p s ASN 181 N -2.85 0.25 -0.23 0.00 2.20 -1.26 -5.14 114.94 107.90 2k8p s ASN 181 Ca 0.69 -1.33 -0.15 0.00 -0.94 0.00 0.00 52.86 51.13 2k8p s ASN 181 Cb -0.18 0.45 -0.04 0.00 -2.00 0.00 0.00 41.25 39.48 2k8p s ASN 181 CO 0.61 -0.94 0.38 -1.10 -2.94 0.00 0.00 177.10 173.11 2k8p s GLN 182 N -4.03 4.10 -0.27 3.55 -0.21 -1.26 -5.04 119.66 116.50 2k8p s GLN 182 Ca 0.35 0.11 -0.09 0.00 0.02 0.00 0.00 55.36 55.75 2k8p s GLN 182 Cb 0.05 -3.59 0.11 0.00 1.00 0.00 0.00 33.01 30.58 2k8p s GLN 182 CO 0.13 -0.14 0.58 0.00 -2.12 0.00 0.00 175.29 173.74 2k8p s ALA 183 N 1.64 -1.75 0.24 6.09 0.00 -1.26 -5.17 121.76 121.54 2k8p s ALA 183 Ca 0.17 2.09 0.01 0.00 0.00 0.00 0.00 51.96 54.23 2k8p s ALA 183 Cb -0.15 -1.60 -0.05 0.00 0.00 0.00 0.00 23.12 21.32 2k8p s ALA 183 CO 0.08 -0.83 0.08 -2.00 0.00 0.00 0.00 175.76 173.09 2k8p s GLU 184 N 2.70 1.34 -1.48 0.00 2.12 -1.26 -5.05 118.70 117.06 2k8p s GLU 184 Ca -0.05 -1.71 -0.10 0.00 0.36 0.00 0.00 54.97 53.47 2k8p s GLU 184 Cb -0.11 -0.25 0.02 0.00 0.26 0.00 0.00 34.13 34.05 2k8p s GLU 184 CO -0.17 -0.26 2.49 -0.11 -0.54 0.00 0.00 175.26 176.67 2k8p n LEU 185 N -0.41 7.77 -1.25 2.70 0.00 -1.26 -4.92 117.00 119.64 2k8p n LEU 185 Ca -0.01 -4.42 0.16 0.00 0.00 0.00 0.00 56.01 51.74 2k8p n LEU 185 Cb 0.66 -1.55 -0.06 0.00 0.00 0.00 0.00 43.42 42.47 2k8p n LEU 185 CO 0.36 1.67 -0.37 -0.62 0.00 0.00 0.00 177.39 178.44 2k8p n GLU 186 N 4.14 -2.68 0.00 1.96 1.02 -1.26 -4.91 120.64 118.91 2k8p n GLU 186 Ca 0.62 1.97 0.00 0.00 -0.02 0.00 0.00 57.16 59.73 2k8p n GLU 186 Cb 0.30 -3.21 0.00 0.00 -0.02 0.00 0.00 31.44 28.52 2k8p n GLU 186 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2k8p n ASN 187 N -4.03 3.53 -3.68 1.62 5.15 -1.26 -5.03 115.26 111.57 2k8p n ASN 187 Ca -0.03 0.00 -0.21 0.00 -0.60 0.00 0.00 54.58 53.74 2k8p n ASN 187 Cb 0.58 0.00 -0.18 0.00 -0.53 0.00 0.00 39.78 39.65 2k8p n ASN 187 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k8p s ALA 188 N -1.97 0.35 -2.00 5.20 0.00 -1.26 -5.29 121.76 116.79 2k8p s ALA 188 Ca 0.00 0.05 0.03 0.00 0.00 0.00 0.00 51.96 52.04 2k8p s ALA 188 Cb 0.00 -0.71 0.19 0.00 0.00 0.00 0.00 23.12 22.59 2k8p s ALA 188 CO 0.00 -0.60 0.67 0.98 0.00 0.00 0.00 175.76 176.81