#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 1.68 -1.35 1.61 -2.14 -1.26 -5.05 118.94 112.42 2k8p s TRP 2 Ca 0.00 -1.62 0.21 0.00 2.66 0.00 0.00 56.10 57.34 2k8p s TRP 2 Cb 0.00 -0.64 -0.14 0.00 -3.10 0.00 0.00 33.47 29.60 2k8p s TRP 2 CO 0.00 -0.91 0.94 1.04 -2.66 0.00 0.00 176.95 175.36 2k8p n GLN 3 N -0.62 0.68 -3.08 3.25 6.02 -1.26 -4.98 117.38 117.39 2k8p n GLN 3 Ca 0.07 -0.39 -0.22 0.00 -0.01 0.00 0.00 57.00 56.45 2k8p n GLN 3 Cb 0.62 -1.46 0.04 0.00 1.02 0.00 0.00 30.24 30.47 2k8p n GLN 3 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2k8p n ALA 4 N -0.91 -1.00 -1.26 -1.58 0.00 -1.26 -4.67 120.51 109.82 2k8p n ALA 4 Ca 0.06 0.30 0.15 0.00 0.00 0.00 0.00 53.44 53.96 2k8p n ALA 4 Cb 0.37 -4.09 -0.08 0.00 0.00 0.00 0.00 19.45 15.65 2k8p n ALA 4 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2k8p n PHE 5 N -4.57 -3.39 -3.51 0.00 3.72 -1.26 -4.90 117.46 103.55 2k8p n PHE 5 Ca -0.10 1.86 -0.29 0.00 -0.05 0.00 0.00 57.45 58.88 2k8p n PHE 5 Cb 0.61 -3.08 -0.12 0.00 -0.94 0.00 0.00 39.48 35.95 2k8p n PHE 5 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 176.76 175.12 2k8p s LYS 6 N -4.02 0.71 0.83 -1.08 0.00 -1.26 -5.13 119.74 109.78 2k8p s LYS 6 Ca 0.00 -1.48 -0.14 0.00 0.00 0.00 0.00 55.97 54.35 2k8p s LYS 6 Cb 0.00 -1.52 0.20 0.00 0.00 0.00 0.00 37.83 36.51 2k8p s LYS 6 CO 0.00 -1.20 0.85 0.27 0.00 0.00 0.00 175.35 175.27 2k8p n ASN 7 N 3.93 -1.17 -3.18 0.03 6.94 -1.26 -5.10 115.26 115.44 2k8p n ASN 7 Ca 0.11 -1.11 -0.16 0.00 -0.02 0.00 0.00 54.58 53.40 2k8p n ASN 7 Cb 0.37 -0.73 -0.05 0.00 -2.36 0.00 0.00 39.78 37.00 2k8p n ASN 7 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 2k8p s ASP 8 N -3.95 1.22 -0.29 0.53 1.11 -1.26 -5.18 116.67 108.86 2k8p s ASP 8 Ca 0.53 -1.60 -0.20 0.00 0.18 0.00 0.00 52.55 51.45 2k8p s ASP 8 Cb -0.04 0.65 0.14 0.00 1.07 0.00 0.00 42.92 44.75 2k8p s ASP 8 CO 0.39 -1.27 1.04 0.00 1.18 0.00 0.00 175.17 176.52 2k8p s ALA 9 N -3.04 -2.16 -0.44 5.23 0.00 -1.26 -5.11 121.76 114.98 2k8p s ALA 9 Ca 0.33 2.03 0.05 0.00 0.00 0.00 0.00 51.96 54.37 2k8p s ALA 9 Cb 0.00 -1.61 0.19 0.00 0.00 0.00 0.00 23.12 21.69 2k8p s ALA 9 CO 0.23 -0.28 0.47 2.41 0.00 0.00 0.00 175.76 178.59 2k8p n THR 10 N 2.92 -0.84 -2.63 0.00 -1.04 -1.26 -5.13 114.28 106.30 2k8p n THR 10 Ca -0.15 -2.85 -0.34 0.00 -2.04 0.00 0.00 64.05 58.67 2k8p n THR 10 Cb 0.57 -0.95 -0.05 0.00 -1.82 0.00 0.00 70.33 68.09 2k8p n THR 10 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2k8p s GLU 11 N 0.14 3.97 -0.42 -2.82 2.02 -1.26 -5.04 118.70 115.30 2k8p s GLU 11 Ca 0.32 1.30 0.03 0.00 0.02 0.00 0.00 54.97 56.65 2k8p s GLU 11 Cb 0.05 -2.17 0.11 0.00 0.10 0.00 0.00 34.13 32.23 2k8p s GLU 11 CO -0.16 -0.28 0.15 0.42 0.02 0.00 0.00 175.26 175.42 2k8p s ILE 12 N -2.01 2.19 -0.52 -1.63 1.01 -1.26 -5.00 121.20 113.99 2k8p s ILE 12 Ca 0.65 -2.66 0.06 0.00 0.00 0.00 0.00 60.65 58.70 2k8p s ILE 12 Cb -0.15 -2.58 0.23 0.00 0.01 0.00 0.00 42.46 39.98 2k8p s ILE 12 CO 0.18 -0.71 0.59 -0.38 0.00 0.00 0.00 174.94 174.62 2k8p n ILE 13 N 3.79 0.68 -1.10 2.92 -0.00 -1.26 -5.11 119.36 119.27 2k8p n ILE 13 Ca 0.04 -4.51 -0.29 0.00 -0.00 0.00 0.00 62.75 57.99 2k8p n ILE 13 Cb 0.37 -2.00 0.22 0.00 -0.00 0.00 0.00 39.64 38.23 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 -1.58 -0.67 -0.38 0.38 0.04 -1.26 -5.05 135.00 126.47 2k8p s PRO 14 Ca 0.36 0.14 0.02 0.00 0.04 0.00 0.00 61.00 61.55 2k8p s PRO 14 Cb 0.13 -1.64 0.12 0.00 0.04 0.00 0.00 34.50 33.14 2k8p s PRO 14 CO -0.09 -3.39 0.16 -2.00 0.04 0.00 0.00 177.00 171.72 2k8p s GLU 15 N -5.24 1.16 -0.12 4.56 2.12 -1.26 -5.10 118.70 114.82 2k8p s GLU 15 Ca 0.69 -1.70 0.03 0.00 0.36 0.00 0.00 54.97 54.35 2k8p s GLU 15 Cb -0.13 -2.42 0.01 0.00 0.26 0.00 0.00 34.13 31.84 2k8p s GLU 15 CO 0.57 -1.06 -0.22 -0.51 -0.54 0.00 0.00 175.26 173.49 2k8p s LEU 16 N 0.84 2.12 -0.28 2.70 1.43 -1.26 -5.00 118.68 119.23 2k8p s LEU 16 Ca 0.14 -0.58 0.12 0.00 -1.03 0.00 0.00 54.13 52.78 2k8p s LEU 16 Cb -0.21 -1.44 0.72 0.00 0.03 0.00 0.00 46.19 45.29 2k8p s LEU 16 CO -0.10 0.11 1.72 0.61 0.23 0.00 0.00 176.35 178.92 2k8p n GLY 17 N 3.85 3.67 1.31 -3.19 0.00 -1.26 -5.07 105.19 104.51 2k8p n GLY 17 Ca -0.20 -1.01 0.17 0.00 0.00 0.00 0.00 46.02 44.99 2k8p n GLY 17 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k8p n GLU 18 N -0.12 -2.66 -3.26 1.61 1.02 -1.26 -4.72 120.64 111.24 2k8p n GLU 18 Ca 0.35 1.85 -0.25 0.00 -0.02 0.00 0.00 57.16 59.08 2k8p n GLU 18 Cb 1.25 -3.25 -0.07 0.00 -0.02 0.00 0.00 31.44 29.35 2k8p n GLU 18 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 2k8p n TYR 19 N -3.91 1.06 -0.06 -0.32 9.36 -1.26 -4.94 117.16 117.09 2k8p n TYR 19 Ca -0.01 -3.77 -0.13 0.00 3.32 0.00 0.00 57.90 57.31 2k8p n TYR 19 Cb 0.65 -0.42 -0.07 0.00 -0.63 0.00 0.00 39.34 38.87 2k8p n TYR 19 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 2k8p h PRO 20 N 4.00 0.40 -5.66 2.98 0.13 -2.06 -3.48 132.00 128.31 2k8p h PRO 20 Ca 0.11 -0.21 -0.12 0.00 -0.87 0.00 0.00 66.00 64.92 2k8p h PRO 20 Cb 0.80 0.01 0.01 0.00 0.13 0.00 0.00 31.00 31.95 2k8p h PRO 20 CO 0.59 0.77 -0.27 -1.91 -0.23 0.00 0.00 178.00 176.96 2k8p n GLU 21 N -4.52 -1.39 -1.18 0.86 2.13 -1.26 -4.98 120.64 110.30 2k8p n GLU 21 Ca -0.06 1.31 -0.29 0.00 0.66 0.00 0.00 57.16 58.78 2k8p n GLU 21 Cb 0.38 -5.05 0.16 0.00 0.27 0.00 0.00 31.44 27.20 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 -3.50 0.73 0.96 5.31 0.04 -1.26 -5.04 135.00 132.24 2k8p s PRO 22 Ca 0.03 0.63 -0.12 0.00 0.04 0.00 0.00 61.00 61.58 2k8p s PRO 22 Cb -0.01 -1.76 0.17 0.00 0.04 0.00 0.00 34.50 32.94 2k8p s PRO 22 CO 0.78 -2.55 1.09 -1.25 0.04 0.00 0.00 177.00 175.11 2k8p s PRO 23 N -4.95 0.75 1.22 0.56 0.04 -1.26 -5.05 135.00 126.31 2k8p s PRO 23 Ca 0.65 0.64 -0.20 0.00 0.04 0.00 0.00 61.00 62.13 2k8p s PRO 23 Cb -0.18 -1.76 0.29 0.00 0.04 0.00 0.00 34.50 32.89 2k8p s PRO 23 CO 0.57 -2.54 1.11 -1.25 0.04 0.00 0.00 177.00 174.93 2k8p s PRO 24 N -4.95 -1.37 -0.36 0.56 0.04 -1.26 -5.08 135.00 122.58 2k8p s PRO 24 Ca 0.65 -0.11 0.02 0.00 0.04 0.00 0.00 61.00 61.59 2k8p s PRO 24 Cb -0.18 -1.58 0.18 0.00 0.04 0.00 0.00 34.50 32.96 2k8p s PRO 24 CO 0.57 -3.80 0.77 -1.83 0.04 0.00 0.00 177.00 172.76 2k8p s GLU 25 N -5.44 0.56 0.00 4.56 -1.05 -1.26 -5.16 118.70 110.91 2k8p s GLU 25 Ca 0.71 -0.08 0.00 0.00 -0.15 0.00 0.00 54.97 55.46 2k8p s GLU 25 Cb -0.09 0.09 0.00 0.00 -0.44 0.00 0.00 34.13 33.69 2k8p s GLU 25 CO 0.56 -0.84 0.00 1.28 0.95 0.00 0.00 175.26 177.20 2k8p n LEU 26 N 4.38 0.00 0.00 1.83 4.77 -1.26 -5.19 117.00 121.53 2k8p n LEU 26 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 2k8p n LEU 26 Cb 0.58 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 2k8p n LEU 26 CO -0.05 0.00 0.25 1.21 -1.33 0.00 0.00 177.39 177.47 2k8p n GLU 27 N 0.00 0.10 -3.59 3.23 0.00 -1.26 -5.19 120.64 113.93 2k8p n GLU 27 Ca 0.00 -0.28 -0.10 0.00 0.00 0.00 0.00 57.16 56.77 2k8p n GLU 27 Cb 0.00 0.42 -0.02 0.00 0.00 0.00 0.00 31.44 31.84 2k8p n GLU 27 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 2k8p s ASN 28 N -1.68 -0.45 0.27 4.31 3.84 -1.26 -5.19 114.94 114.78 2k8p s ASN 28 Ca 0.07 -0.24 -0.20 0.00 0.21 0.00 0.00 52.86 52.70 2k8p s ASN 28 Cb -0.00 0.65 0.06 0.00 -0.55 0.00 0.00 41.25 41.41 2k8p s ASN 28 CO 0.01 -1.12 0.90 0.54 -2.79 0.00 0.00 177.10 174.64 2k8p s ASN 29 N -2.82 -0.04 0.09 -4.21 2.20 -1.26 -5.19 114.94 103.72 2k8p s ASN 29 Ca 0.05 -0.83 -0.04 0.00 -0.94 0.00 0.00 52.86 51.10 2k8p s ASN 29 Cb -0.03 0.66 -0.03 0.00 -2.00 0.00 0.00 41.25 39.85 2k8p s ASN 29 CO -0.05 -1.30 0.08 -0.54 -2.94 0.00 0.00 177.10 172.35 2k8p s LYS 30 N -2.49 0.81 0.24 3.55 3.01 -1.26 -5.18 119.74 118.42 2k8p s LYS 30 Ca 0.17 -1.21 -0.12 0.00 -1.01 0.00 0.00 55.97 53.81 2k8p s LYS 30 Cb -0.04 0.27 -0.01 0.00 -1.01 0.00 0.00 37.83 37.05 2k8p s LYS 30 CO 0.08 -0.22 0.46 0.95 0.51 0.00 0.00 175.35 177.12 2k8p s THR 31 N -3.94 0.00 -0.29 2.17 -4.23 -1.26 -5.18 115.64 102.91 2k8p s THR 31 Ca 0.12 -1.45 -0.20 0.00 -1.18 0.00 0.00 61.69 58.98 2k8p s THR 31 Cb 0.07 -2.22 0.17 0.00 1.34 0.00 0.00 72.50 71.85 2k8p s THR 31 CO -0.06 -0.00 1.19 -0.04 -0.54 0.00 0.00 174.62 175.17 2k8p s MET 32 N -4.03 0.23 0.10 3.99 -1.94 -1.26 -5.19 119.30 111.21 2k8p s MET 32 Ca 0.24 0.33 -0.26 0.00 -1.71 0.00 0.00 55.69 54.28 2k8p s MET 32 Cb -0.00 0.08 0.08 0.00 2.01 0.00 0.00 34.83 37.00 2k8p s MET 32 CO 0.09 -0.04 1.06 -0.80 -0.01 0.00 0.00 175.02 175.33 2k8p s ASN 33 N 0.66 -0.13 -0.11 3.03 0.01 -1.26 -5.19 114.94 111.95 2k8p s ASN 33 Ca -0.02 -0.33 -0.31 0.00 -0.71 0.00 0.00 52.86 51.49 2k8p s ASN 33 Cb -0.04 0.39 0.12 0.00 0.41 0.00 0.00 41.25 42.13 2k8p s ASN 33 CO -0.12 -0.72 1.04 0.00 -1.51 0.00 0.00 177.10 175.79 2k8p s ARG 34 N -2.99 0.56 0.30 -0.60 1.70 -1.26 -5.19 118.95 111.47 2k8p s ARG 34 Ca 0.13 -0.14 -0.12 0.00 -0.47 0.00 0.00 55.73 55.14 2k8p s ARG 34 Cb 0.00 0.26 0.01 0.00 -0.57 0.00 0.00 34.95 34.66 2k8p s ARG 34 CO 0.01 -0.23 0.56 0.00 -1.08 0.00 0.00 175.30 174.55 2k8p s ALA 35 N -2.40 -0.20 -0.20 7.88 0.00 -1.26 -5.18 121.76 120.39 2k8p s ALA 35 Ca 0.05 -0.95 -0.29 0.00 0.00 0.00 0.00 51.96 50.78 2k8p s ALA 35 Cb -0.01 1.00 0.14 0.00 0.00 0.00 0.00 23.12 24.25 2k8p s ALA 35 CO -0.05 -0.88 1.09 -2.00 0.00 0.00 0.00 175.76 173.91 2k8p s GLU 36 N -3.47 0.46 -0.08 0.00 2.12 -1.26 -5.19 118.70 111.29 2k8p s GLU 36 Ca 0.22 0.17 -0.32 0.00 0.36 0.00 0.00 54.97 55.40 2k8p s GLU 36 Cb -0.02 0.22 0.13 0.00 0.26 0.00 0.00 34.13 34.72 2k8p s GLU 36 CO 0.12 -0.13 1.29 -0.80 -0.54 0.00 0.00 175.26 175.20 2k8p s ASN 37 N -0.88 -0.07 0.00 -1.70 0.02 -1.26 -5.20 114.94 105.86 2k8p s ASN 37 Ca 0.01 -0.09 0.00 0.00 -1.02 0.00 0.00 52.86 51.77 2k8p s ASN 37 Cb -0.01 0.14 0.00 0.00 0.02 0.00 0.00 41.25 41.39 2k8p s ASN 37 CO -0.02 -0.25 0.00 0.61 0.02 0.00 0.00 177.10 177.46 2k8p n GLY 38 N -0.38 -0.54 0.00 0.66 0.00 -1.26 -5.15 105.19 98.52 2k8p n GLY 38 Ca -0.06 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.18 1.07 2.55 -0.02 0.00 -1.26 -5.12 105.19 102.24 2k8p n GLY 39 Ca 0.00 0.29 -0.14 0.00 0.00 0.00 0.00 46.02 46.17 2k8p n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k8p n ARG 40 N 0.00 0.69 -1.18 1.61 3.00 -1.26 -5.15 116.66 114.37 2k8p n ARG 40 Ca 0.00 -2.34 -0.29 0.00 -0.01 0.00 0.00 57.85 55.21 2k8p n ARG 40 Cb 0.00 -1.40 0.16 0.00 0.00 0.00 0.00 32.46 31.22 2k8p n ARG 40 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2k8p s PRO 41 N 0.08 0.74 0.48 5.56 0.04 -1.26 -5.01 135.00 135.63 2k8p s PRO 41 Ca 0.33 0.64 -0.22 0.00 0.04 0.00 0.00 61.00 61.78 2k8p s PRO 41 Cb 0.17 -1.76 -0.07 0.00 0.04 0.00 0.00 34.50 32.88 2k8p s PRO 41 CO -0.18 -2.55 1.16 -1.25 0.04 0.00 0.00 177.00 174.22 2k8p s PRO 42 N -4.95 3.67 -0.44 0.56 0.04 -1.26 -5.03 135.00 127.59 2k8p s PRO 42 Ca 0.65 1.74 0.05 0.00 0.04 0.00 0.00 61.00 63.47 2k8p s PRO 42 Cb -0.18 -2.32 0.18 0.00 0.04 0.00 0.00 34.50 32.21 2k8p s PRO 42 CO 0.57 -0.61 0.52 -1.58 0.04 0.00 0.00 177.00 175.94 2k8p s HIS 43 N -1.60 -0.50 0.28 0.56 2.46 -1.26 -5.14 115.29 110.09 2k8p s HIS 43 Ca 0.66 -1.11 0.11 0.00 0.47 0.00 0.00 55.06 55.19 2k8p s HIS 43 Cb -0.27 -0.22 -0.05 0.00 -0.13 0.00 0.00 32.58 31.90 2k8p s HIS 43 CO 0.33 -1.06 -0.12 -1.01 -2.47 0.00 0.00 174.74 170.41 2k8p s HIS 44 N 0.82 2.45 0.66 3.88 3.76 -1.26 -5.15 115.29 120.45 2k8p s HIS 44 Ca 0.27 -0.31 -0.11 0.00 -0.15 0.00 0.00 55.06 54.76 2k8p s HIS 44 Cb -0.03 -1.11 0.16 0.00 1.11 0.00 0.00 32.58 32.72 2k8p s HIS 44 CO -0.09 0.67 0.59 -0.35 -0.85 0.00 0.00 174.74 174.70 2k8p n PRO 45 N -0.74 -2.16 -3.04 8.40 -0.04 -1.26 -5.09 135.00 131.07 2k8p n PRO 45 Ca -0.05 -0.94 0.00 0.00 -0.04 0.00 0.00 63.50 62.47 2k8p n PRO 45 Cb 0.60 -0.88 0.00 0.00 -0.04 0.00 0.00 33.50 33.18 2k8p n PRO 45 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2k8p n PHE 46 N -3.77 0.00 -1.40 0.54 7.35 -1.26 -5.17 117.46 113.75 2k8p n PHE 46 Ca 0.08 0.00 0.18 0.00 -0.76 0.00 0.00 57.45 56.95 2k8p n PHE 46 Cb 0.32 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 40.08 2k8p n PHE 46 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 2k8p n GLU 47 N -0.04 -2.98 -3.66 -4.13 1.02 -1.26 -4.97 120.64 104.62 2k8p n GLU 47 Ca 0.00 2.15 -0.07 0.00 -0.02 0.00 0.00 57.16 59.22 2k8p n GLU 47 Cb 0.00 -3.57 -0.09 0.00 -0.02 0.00 0.00 31.44 27.76 2k8p n GLU 47 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2k8p s THR 48 N -2.93 -0.45 -0.05 2.62 2.01 -1.26 -5.16 115.64 110.42 2k8p s THR 48 Ca 0.00 0.10 0.03 0.00 0.31 0.00 0.00 61.69 62.12 2k8p s THR 48 Cb 0.00 -0.76 -0.03 0.00 0.01 0.00 0.00 72.50 71.73 2k8p s THR 48 CO 0.00 0.04 -0.11 -0.54 -0.69 0.00 0.00 174.62 173.32 2k8p s LYS 49 N 2.20 2.57 -0.27 4.92 -0.14 -1.26 -5.11 119.74 122.65 2k8p s LYS 49 Ca -0.06 -0.66 -0.30 0.00 -1.36 0.00 0.00 55.97 53.59 2k8p s LYS 49 Cb -0.10 -2.45 0.18 0.00 -1.68 0.00 0.00 37.83 33.78 2k8p s LYS 49 CO -0.15 0.63 1.32 0.34 -0.76 0.00 0.00 175.35 176.74 2k8p s ASP 50 N -0.83 -0.07 -0.23 2.83 2.15 -1.26 -5.19 116.67 114.07 2k8p s ASP 50 Ca 0.12 0.07 -0.30 0.00 0.43 0.00 0.00 52.55 52.87 2k8p s ASP 50 Cb -0.11 0.06 0.16 0.00 -0.30 0.00 0.00 42.92 42.73 2k8p s ASP 50 CO 0.01 -0.07 1.22 0.54 -0.17 0.00 0.00 175.17 176.71 2k8p s VAL 51 N -1.13 0.00 -0.28 1.11 0.11 -1.26 -5.18 120.40 113.76 2k8p s VAL 51 Ca 0.08 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 58.87 2k8p s VAL 51 Cb -0.01 -1.00 0.18 0.00 -1.53 0.00 0.00 36.38 34.02 2k8p s VAL 51 CO -0.07 0.00 1.32 -0.94 -3.33 0.00 0.00 175.10 172.09 2k8p s SER 52 N -1.23 -0.14 0.21 3.54 1.04 -1.26 -5.11 113.70 110.76 2k8p s SER 52 Ca 0.06 0.23 -0.05 0.00 0.48 0.00 0.00 55.95 56.66 2k8p s SER 52 Cb -0.01 0.22 -0.03 0.00 0.10 0.00 0.00 66.02 66.31 2k8p s SER 52 CO -0.04 -0.07 0.24 -0.70 0.98 0.00 0.00 173.24 173.65 2k8p s GLU 53 N -0.28 1.29 0.42 4.02 2.12 -1.26 -5.13 118.70 119.88 2k8p s GLU 53 Ca 0.06 -1.47 0.00 0.00 0.36 0.00 0.00 54.97 53.93 2k8p s GLU 53 Cb -0.04 0.34 0.00 0.00 0.26 0.00 0.00 34.13 34.69 2k8p s GLU 53 CO -0.11 -0.46 0.00 0.66 -0.54 0.00 0.00 175.26 174.81 2k8p n TYR 54 N -0.29 -3.73 0.05 5.30 4.01 -1.26 -4.53 117.16 116.71 2k8p n TYR 54 Ca -0.00 1.91 -0.02 0.00 -0.16 0.00 0.00 57.90 59.63 2k8p n TYR 54 Cb 0.64 -3.38 -0.01 0.00 -0.31 0.00 0.00 39.34 36.28 2k8p n TYR 54 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 2k8p h SER 55 N -1.38 -0.11 -2.85 7.72 0.02 -1.94 -3.41 113.55 111.60 2k8p h SER 55 Ca -0.03 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.37 2k8p h SER 55 Cb 1.36 0.03 -0.05 0.00 0.14 0.00 0.00 62.40 63.88 2k8p h SER 55 CO 0.03 -0.03 1.15 0.00 -1.14 0.00 0.00 176.83 176.83 2k8p s ARG 57 N 5.52 3.71 -0.12 0.00 1.70 0.21 -4.79 118.95 125.18 2k8p s ARG 57 Ca 0.61 2.15 -0.29 0.00 -0.47 0.00 0.00 55.73 57.72 2k8p s ARG 57 Cb -0.14 -4.19 -0.06 0.00 -0.57 0.00 0.00 34.95 29.99 2k8p s ARG 57 CO 0.28 -1.43 2.01 -1.21 -1.08 0.00 0.00 175.30 173.87 2k8p s GLU 58 N 5.15 3.66 -0.51 3.89 8.01 -1.26 -3.85 118.70 133.78 2k8p s GLU 58 Ca 0.87 2.20 -0.21 0.00 0.01 0.00 0.00 54.97 57.84 2k8p s GLU 58 Cb -0.34 -4.23 0.05 0.00 -4.31 0.00 0.00 34.13 25.29 2k8p s GLU 58 CO 0.36 -1.50 0.76 -0.51 0.01 0.00 0.00 175.26 174.38 2k8p s LEU 59 N 6.19 4.53 -0.35 1.80 2.01 -0.78 -4.91 118.68 127.17 2k8p s LEU 59 Ca 0.90 -0.58 -0.23 0.00 0.01 0.00 0.00 54.13 54.23 2k8p s LEU 59 Cb -0.35 -2.66 0.01 0.00 0.01 0.00 0.00 46.19 43.19 2k8p s LEU 59 CO 0.37 -1.01 0.77 -1.00 1.01 0.00 0.00 176.35 176.49 2k8p s HIS 60 N 3.20 3.13 -0.15 0.29 3.76 -1.26 -0.06 115.29 124.20 2k8p s HIS 60 Ca 0.23 0.57 -0.07 0.00 -0.15 0.00 0.00 55.06 55.64 2k8p s HIS 60 Cb -0.16 -3.35 -0.04 0.00 1.11 0.00 0.00 32.58 30.15 2k8p s HIS 60 CO 0.16 -0.70 0.11 -0.06 -0.85 0.00 0.00 174.74 173.40 2k8p s PHE 61 N 3.04 3.44 -0.07 1.40 0.40 -0.80 -4.96 117.98 120.42 2k8p s PHE 61 Ca 0.31 0.37 -0.00 0.00 -0.60 0.00 0.00 56.93 57.00 2k8p s PHE 61 Cb -0.13 -2.00 0.02 0.00 0.51 0.00 0.00 43.02 41.42 2k8p s PHE 61 CO 0.16 0.50 -0.04 0.99 0.70 0.00 0.00 175.22 177.52 2k8p s THR 62 N -0.42 0.65 0.15 0.64 2.01 -1.26 -1.28 115.64 116.13 2k8p s THR 62 Ca 0.11 -0.10 -0.17 0.00 0.31 0.00 0.00 61.69 61.84 2k8p s THR 62 Cb -0.12 -0.71 0.03 0.00 0.01 0.00 0.00 72.50 71.72 2k8p s THR 62 CO 0.02 0.28 0.45 -0.13 -0.69 0.00 0.00 174.62 174.55 2k8p s ARG 63 N 1.47 1.20 -0.26 4.92 0.52 -1.14 -4.93 118.95 120.72 2k8p s ARG 63 Ca -0.02 -0.77 -0.19 0.00 -0.52 0.00 0.00 55.73 54.24 2k8p s ARG 63 Cb -0.13 0.49 -0.02 0.00 0.52 0.00 0.00 34.95 35.81 2k8p s ARG 63 CO -0.04 -0.49 0.58 0.71 0.02 0.00 0.00 175.30 176.08 2k8p s TYR 64 N -3.83 3.27 0.21 -0.53 1.51 -1.26 -0.71 117.35 116.01 2k8p s TYR 64 Ca 0.06 0.70 -0.13 0.00 -1.01 0.00 0.00 57.07 56.69 2k8p s TYR 64 Cb 0.01 -2.80 -0.07 0.00 -0.11 0.00 0.00 41.96 38.98 2k8p s TYR 64 CO -0.08 -0.33 0.59 0.54 -1.11 0.00 0.00 175.55 175.16 2k8p s VAL 65 N 2.43 4.83 -0.15 0.71 0.11 -1.26 -4.98 120.40 122.08 2k8p s VAL 65 Ca 0.24 0.75 -0.08 0.00 -2.93 0.00 0.00 61.98 59.96 2k8p s VAL 65 Cb -0.15 -3.68 0.06 0.00 -1.53 0.00 0.00 36.38 31.07 2k8p s VAL 65 CO 0.09 0.06 0.37 0.42 -3.33 0.00 0.00 175.10 172.70 2k8p s THR 66 N -1.68 -0.07 -0.29 5.04 -4.23 -1.26 -1.65 115.64 111.49 2k8p s THR 66 Ca 0.44 0.12 -0.03 0.00 -1.18 0.00 0.00 61.69 61.04 2k8p s THR 66 Cb -0.13 -0.55 0.10 0.00 1.34 0.00 0.00 72.50 73.26 2k8p s THR 66 CO 0.20 0.05 0.11 -0.62 -0.54 0.00 0.00 174.62 173.82 2k8p s ASP 67 N 1.46 3.64 0.00 3.99 -1.08 -1.25 -5.03 116.67 118.41 2k8p s ASP 67 Ca -0.09 -1.37 0.00 0.00 -0.52 0.00 0.00 52.55 50.57 2k8p s ASP 67 Cb -0.09 -0.54 0.00 0.00 -1.46 0.00 0.00 42.92 40.83 2k8p s ASP 67 CO -0.12 -0.42 0.00 0.61 0.52 0.00 0.00 175.17 175.76 2k8p n GLY 68 N 5.10 -1.65 0.00 2.66 0.00 -1.26 -4.29 105.19 105.75 2k8p n GLY 68 Ca -0.05 -1.90 0.07 0.00 0.00 0.00 0.00 46.02 44.14 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 0.18 -3.48 1.61 -0.04 -1.26 -4.75 135.00 127.26 2k8p n PRO 69 Ca 0.00 0.16 -0.20 0.00 -0.04 0.00 0.00 63.50 63.43 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 -4.16 0.19 0.23 0.00 3.00 0.72 -3.79 118.95 115.15 2k8p s ARG 71 Ca 0.47 0.08 -0.32 0.00 0.00 0.00 0.00 55.73 55.96 2k8p s ARG 71 Cb -0.07 0.09 -0.13 0.00 0.00 0.00 0.00 34.95 34.84 2k8p s ARG 71 CO 0.30 -0.03 1.54 -1.13 0.00 0.00 0.00 175.30 175.98 2k8p n SER 72 N 2.78 3.29 0.21 0.23 3.41 -0.66 -0.23 113.62 122.66 2k8p n SER 72 Ca -0.14 1.12 0.08 0.00 -0.26 0.00 0.00 58.87 59.67 2k8p n SER 72 Cb 0.59 -1.49 0.42 0.00 -0.26 0.00 0.00 64.21 63.46 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 5.11 1.02 -2.27 7.33 0.00 -1.78 -3.46 119.26 125.21 2k8p h ALA 73 Ca -0.45 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.09 2k8p h ALA 73 Cb 1.25 -0.04 -0.15 0.00 0.00 0.00 0.00 17.79 18.84 2k8p h ALA 73 CO 0.82 0.34 -0.66 0.15 0.00 0.00 0.00 179.25 179.90 2k8p s LYS 74 N -3.64 0.62 0.91 0.00 -0.14 -1.26 -5.12 119.74 111.10 2k8p s LYS 74 Ca 0.00 -1.19 -0.12 0.00 -1.36 0.00 0.00 55.97 53.31 2k8p s LYS 74 Cb 0.10 0.22 0.14 0.00 -1.68 0.00 0.00 37.83 36.61 2k8p s LYS 74 CO 0.65 -0.12 1.09 -1.25 -0.76 0.00 0.00 175.35 174.97 2k8p s PRO 75 N -3.86 1.14 -0.13 -1.68 0.04 -1.26 -4.63 135.00 124.62 2k8p s PRO 75 Ca 0.06 0.77 0.02 0.00 0.04 0.00 0.00 61.00 61.90 2k8p s PRO 75 Cb 0.07 -1.80 -0.00 0.00 0.04 0.00 0.00 34.50 32.82 2k8p s PRO 75 CO -0.10 -2.31 -0.20 0.54 0.04 0.00 0.00 177.00 174.97 2k8p s VAL 76 N -2.94 2.34 -0.37 -0.36 0.11 0.11 -4.92 120.40 114.37 2k8p s VAL 76 Ca 0.64 -0.90 -0.14 0.00 -2.93 0.00 0.00 61.98 58.65 2k8p s VAL 76 Cb -0.18 -1.94 -0.00 0.00 -1.53 0.00 0.00 36.38 32.73 2k8p s VAL 76 CO 0.57 0.54 0.27 -0.89 -3.33 0.00 0.00 175.10 172.26 2k8p s THR 77 N 0.56 5.27 -0.15 5.04 2.01 -1.26 -2.90 115.64 124.22 2k8p s THR 77 Ca -0.12 -0.40 0.02 0.00 0.31 0.00 0.00 61.69 61.51 2k8p s THR 77 Cb -0.16 -3.80 0.01 0.00 0.01 0.00 0.00 72.50 68.55 2k8p s THR 77 CO 0.04 -0.13 -0.21 -1.83 -0.69 0.00 0.00 174.62 171.80 2k8p s GLU 78 N 1.71 3.05 0.23 4.92 1.03 -0.40 -4.96 118.70 124.27 2k8p s GLU 78 Ca 0.06 -0.83 -0.30 0.00 0.03 0.00 0.00 54.97 53.93 2k8p s GLU 78 Cb -0.18 -2.48 -0.09 0.00 -0.80 0.00 0.00 34.13 30.58 2k8p s GLU 78 CO 0.10 -0.03 1.22 -1.17 -1.33 0.00 0.00 175.26 174.06 2k8p s LEU 79 N 0.86 4.46 0.17 1.83 0.20 -1.22 -1.91 118.68 123.06 2k8p s LEU 79 Ca -0.06 2.34 0.11 0.00 0.69 0.00 0.00 54.13 57.21 2k8p s LEU 79 Cb -0.15 -3.62 -0.04 0.00 -0.43 0.00 0.00 46.19 41.95 2k8p s LEU 79 CO -0.02 -0.38 -0.23 -0.69 -0.29 0.00 0.00 176.35 174.73 2k8p s VAL 80 N -0.38 2.19 -0.31 1.68 1.01 0.91 -3.93 120.40 121.57 2k8p s VAL 80 Ca 0.51 -1.93 -0.13 0.00 0.00 0.00 0.00 61.98 60.44 2k8p s VAL 80 Cb -0.34 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 2k8p s VAL 80 CO 0.40 -0.12 0.27 0.00 0.00 0.00 0.00 175.10 175.65 2k8p s SER 82 N 1.73 -0.49 0.00 0.00 0.15 -1.25 -4.96 113.70 108.88 2k8p s SER 82 Ca 0.09 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.64 2k8p s SER 82 Cb -0.16 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.73 2k8p s SER 82 CO 0.11 -0.97 0.00 0.61 1.20 0.00 0.00 173.24 174.19 2k8p n GLY 83 N -0.37 4.23 3.73 9.45 0.00 -1.26 -0.62 105.19 120.34 2k8p n GLY 83 Ca -0.14 -1.14 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 2k8p n GLY 83 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2k8p s GLN 84 N -4.99 4.50 0.05 1.61 -2.07 -1.26 -4.71 119.66 112.79 2k8p s GLN 84 Ca 0.00 1.76 0.08 0.00 -1.82 0.00 0.00 55.36 55.38 2k8p s GLN 84 Cb 0.00 -3.31 -0.03 0.00 -1.09 0.00 0.00 33.01 28.59 2k8p s GLN 84 CO 0.00 -0.11 -0.22 0.00 -1.32 0.00 0.00 175.29 173.64 2k8p n GLY 86 N 1.77 4.41 3.77 0.00 0.00 -1.26 -5.11 105.19 108.76 2k8p n GLY 86 Ca -0.17 -2.12 -0.36 0.00 0.00 0.00 0.00 46.02 43.37 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 -0.41 3.50 -0.04 1.61 0.04 -1.26 -4.98 135.00 133.46 2k8p s PRO 87 Ca 0.00 1.67 0.23 0.00 0.04 0.00 0.00 61.00 62.94 2k8p s PRO 87 Cb 0.00 -2.15 0.41 0.00 0.04 0.00 0.00 34.50 32.80 2k8p s PRO 87 CO 0.00 -0.74 1.15 0.00 0.04 0.00 0.00 177.00 177.45 2k8p n ALA 88 N -1.01 2.51 -0.56 8.56 0.00 -1.26 -5.14 120.51 123.61 2k8p n ALA 88 Ca 0.10 -2.27 0.00 0.00 0.00 0.00 0.00 53.44 51.27 2k8p n ALA 88 Cb 0.50 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 19.22 2k8p n ALA 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2k8p n ARG 89 N 0.27 0.00 -1.73 0.00 1.74 -1.26 -4.92 116.66 110.76 2k8p n ARG 89 Ca 0.03 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.10 2k8p n ARG 89 Cb 1.06 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 32.50 2k8p n ARG 89 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 2k8p n LEU 90 N 0.00 0.00 -4.89 0.55 -0.00 -1.26 -5.06 117.00 106.34 2k8p n LEU 90 Ca 0.00 -0.10 -0.29 0.00 -0.00 0.00 0.00 56.01 55.62 2k8p n LEU 90 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.43 2k8p n LEU 90 CO 0.00 -0.19 0.58 -0.76 -0.00 0.00 0.00 177.39 177.02 2k8p s LEU 91 N 0.00 3.39 0.42 1.47 1.02 -1.26 -4.98 118.68 118.73 2k8p s LEU 91 Ca 0.01 1.12 0.21 0.00 0.02 0.00 0.00 54.13 55.49 2k8p s LEU 91 Cb -0.00 -4.10 0.90 0.00 0.02 0.00 0.00 46.19 43.01 2k8p s LEU 91 CO 0.00 -0.78 1.84 1.55 0.02 0.00 0.00 176.35 178.98 2k8p h PRO 92 N -0.09 0.00 0.00 1.29 0.13 -2.02 -3.38 132.00 127.93 2k8p h PRO 92 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2k8p h PRO 92 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2k8p h PRO 92 CO 0.62 0.29 0.00 0.09 -0.23 0.00 0.00 178.00 178.77 2k8p n ASN 93 N -3.60 0.00 -2.52 1.44 4.13 -1.26 -5.10 115.26 108.35 2k8p n ASN 93 Ca -0.01 0.00 -0.03 0.00 1.68 0.00 0.00 54.58 56.22 2k8p n ASN 93 Cb 0.42 -0.27 -0.03 0.00 -1.54 0.00 0.00 39.78 38.37 2k8p n ASN 93 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2k8p n ALA 94 N -2.07 -3.58 -2.23 5.41 0.00 -1.26 -5.07 120.51 111.70 2k8p n ALA 94 Ca 0.00 1.55 -0.12 0.00 0.00 0.00 0.00 53.44 54.87 2k8p n ALA 94 Cb 0.00 -3.03 -0.10 0.00 0.00 0.00 0.00 19.45 16.32 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 -0.93 0.86 0.28 0.00 -4.36 -1.26 -5.11 121.20 110.68 2k8p s ILE 95 Ca -0.16 -1.94 0.02 0.00 -0.26 0.00 0.00 60.65 58.31 2k8p s ILE 95 Cb 0.01 -1.69 -0.05 0.00 1.25 0.00 0.00 42.46 41.98 2k8p s ILE 95 CO 0.71 -0.80 0.11 -0.83 0.24 0.00 0.00 174.94 174.37 2k8p s GLY 96 N -3.01 1.88 0.04 6.27 0.00 -1.26 -5.04 107.32 106.20 2k8p s GLY 96 Ca 0.12 -1.83 0.00 0.00 0.00 0.00 0.00 44.72 43.01 2k8p s GLY 96 CO -0.03 -1.63 0.00 0.54 0.00 0.00 0.00 173.10 171.99 2k8p n ARG 97 N -0.53 0.00 -2.52 2.90 1.74 -1.26 -5.09 116.66 111.89 2k8p n ARG 97 Ca -0.00 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.65 2k8p n ARG 97 Cb 0.66 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 32.08 2k8p n ARG 97 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2k8p s GLY 98 N -2.00 1.26 0.37 -0.13 0.00 -1.26 -4.85 107.32 100.71 2k8p s GLY 98 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 44.72 44.39 2k8p s GLY 98 CO 0.00 2.51 0.00 0.28 0.00 0.00 0.00 173.10 175.89 2k8p n LYS 99 N 7.81 -2.99 -0.88 2.90 4.01 -1.26 -4.33 118.16 123.43 2k8p n LYS 99 Ca 0.13 2.04 0.03 0.00 -0.51 0.00 0.00 58.31 60.00 2k8p n LYS 99 Cb 0.48 -3.63 0.35 0.00 -0.51 0.00 0.00 35.03 31.73 2k8p n LYS 99 CO 0.00 0.00 0.00 0.91 -1.11 0.00 0.00 177.40 177.20 2k8p n TRP 100 N -4.28 2.02 -2.99 2.13 8.01 -1.26 -4.99 117.44 116.07 2k8p n TRP 100 Ca -0.00 -0.93 -0.06 0.00 -1.31 0.00 0.00 57.50 55.20 2k8p n TRP 100 Cb 0.67 -0.54 0.01 0.00 -2.01 0.00 0.00 31.31 29.43 2k8p n TRP 100 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.69 177.59 2k8p n TRP 101 N 0.16 -2.46 -1.82 -5.99 7.02 -1.26 -4.93 117.44 108.16 2k8p n TRP 101 Ca 0.31 1.06 -0.33 0.00 -1.02 0.00 0.00 57.50 57.53 2k8p n TRP 101 Cb 1.22 -2.76 0.04 0.00 -2.42 0.00 0.00 31.31 27.38 2k8p n TRP 101 CO 0.00 0.00 0.00 -0.98 -2.02 0.00 0.00 177.69 174.69 2k8p s ARG 102 N -1.68 2.95 0.84 -0.99 3.03 -1.26 -5.03 118.95 116.82 2k8p s ARG 102 Ca 0.09 1.30 -0.11 0.00 2.03 0.00 0.00 55.73 59.04 2k8p s ARG 102 Cb -0.02 -1.98 0.10 0.00 -1.03 0.00 0.00 34.95 32.03 2k8p s ARG 102 CO 0.54 -1.12 1.09 -1.25 -1.13 0.00 0.00 175.30 173.43 2k8p s PRO 103 N -4.17 1.69 0.12 3.89 0.04 -1.26 -4.84 135.00 130.47 2k8p s PRO 103 Ca 0.65 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.66 2k8p s PRO 103 Cb -0.19 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2k8p s PRO 103 CO 0.41 -1.98 0.00 0.45 0.04 0.00 0.00 177.00 175.92 2k8p n SER 104 N -3.73 0.22 0.00 6.66 2.88 -1.26 -5.09 113.62 113.29 2k8p n SER 104 Ca 0.08 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.81 2k8p n SER 104 Cb 0.54 0.05 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 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 2.38 1.91 0.49 0.46 0.00 -1.26 -5.11 105.19 104.07 2k8p n GLY 105 Ca 0.00 -0.43 -0.04 0.00 0.00 0.00 0.00 46.02 45.55 2k8p n GLY 105 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k8p n PRO 106 N 0.00 -1.32 -3.64 1.61 -0.04 -1.26 -5.10 135.00 125.25 2k8p n PRO 106 Ca 0.00 -0.25 -0.04 0.00 -0.04 0.00 0.00 63.50 63.18 2k8p n PRO 106 Cb 0.00 -0.23 -0.07 0.00 -0.04 0.00 0.00 33.50 33.16 2k8p n PRO 106 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2k8p s ASP 107 N -1.92 -0.51 0.42 3.54 1.01 -1.26 -5.04 116.67 112.91 2k8p s ASP 107 Ca 0.10 0.85 -0.14 0.00 0.71 0.00 0.00 52.55 54.07 2k8p s ASP 107 Cb -0.01 1.14 -0.08 0.00 1.01 0.00 0.00 42.92 44.98 2k8p s ASP 107 CO 0.08 -0.14 0.84 -0.36 0.21 0.00 0.00 175.17 175.80 2k8p s PHE 108 N 1.13 3.43 -0.20 4.23 0.40 -1.26 -5.02 117.98 120.69 2k8p s PHE 108 Ca -0.07 1.24 -0.18 0.00 -0.60 0.00 0.00 56.93 57.32 2k8p s PHE 108 Cb -0.04 -2.59 -0.15 0.00 0.51 0.00 0.00 43.02 40.76 2k8p s PHE 108 CO -0.13 -0.14 0.07 -2.13 0.70 0.00 0.00 175.22 173.58 2k8p n ARG 109 N -1.14 0.54 -4.65 0.44 0.63 -1.26 -4.91 116.66 106.32 2k8p n ARG 109 Ca 0.04 0.54 -0.23 0.00 -0.92 0.00 0.00 57.85 57.27 2k8p n ARG 109 Cb 0.54 -1.71 -0.16 0.00 0.45 0.00 0.00 32.46 31.58 2k8p n ARG 109 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2k8p s ILE 111 N -0.03 4.34 1.13 0.00 -4.36 0.14 -4.89 121.20 117.52 2k8p s ILE 111 Ca -0.01 1.64 -0.16 0.00 -0.26 0.00 0.00 60.65 61.85 2k8p s ILE 111 Cb -0.09 -3.95 0.25 0.00 1.25 0.00 0.00 42.46 39.92 2k8p s ILE 111 CO 0.01 0.16 1.10 -2.16 0.24 0.00 0.00 174.94 174.29 2k8p s PRO 112 N -2.04 -0.61 0.05 0.37 0.04 -1.26 -1.67 135.00 129.89 2k8p s PRO 112 Ca 0.48 0.16 0.01 0.00 0.04 0.00 0.00 61.00 61.68 2k8p s PRO 112 Cb -0.18 -1.65 -0.00 0.00 0.04 0.00 0.00 34.50 32.71 2k8p s PRO 112 CO 0.23 -3.35 0.06 -3.47 0.04 0.00 0.00 177.00 170.50 2k8p n ASP 113 N -4.55 -0.15 -4.59 6.66 -0.08 -1.22 -4.51 116.55 108.12 2k8p n ASP 113 Ca 0.10 -1.31 -0.43 0.00 -1.51 0.00 0.00 54.79 51.64 2k8p n ASP 113 Cb 0.59 0.30 -0.01 0.00 2.34 0.00 0.00 41.12 44.34 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 1.31 -3.77 -0.67 0.63 -1.26 -4.63 116.66 108.18 2k8p n ARG 114 Ca 0.01 0.46 -0.20 0.00 -0.92 0.00 0.00 57.85 57.20 2k8p n ARG 114 Cb 0.09 -1.88 -0.02 0.00 0.45 0.00 0.00 32.46 31.10 2k8p n ARG 114 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 2k8p s TYR 115 N -1.15 3.25 0.06 -0.14 1.51 -1.26 -1.39 117.35 118.24 2k8p s TYR 115 Ca 0.60 -0.13 -0.00 0.00 -1.01 0.00 0.00 57.07 56.53 2k8p s TYR 115 Cb -0.65 -1.74 -0.04 0.00 -0.11 0.00 0.00 41.96 39.41 2k8p s TYR 115 CO 0.59 0.25 -0.04 0.50 -1.11 0.00 0.00 175.55 175.74 2k8p s ARG 116 N -4.05 0.65 -0.12 -0.62 3.52 -0.01 -4.61 118.95 113.71 2k8p s ARG 116 Ca 0.39 -1.23 -0.01 0.00 -0.13 0.00 0.00 55.73 54.75 2k8p s ARG 116 Cb -0.09 0.11 0.03 0.00 -1.56 0.00 0.00 34.95 33.44 2k8p s ARG 116 CO 0.29 -0.09 -0.04 0.00 -0.81 0.00 0.00 175.30 174.66 2k8p s ALA 117 N -3.78 1.16 -0.12 6.12 0.00 -1.26 -0.82 121.76 123.06 2k8p s ALA 117 Ca 0.07 -0.50 -0.06 0.00 0.00 0.00 0.00 51.96 51.48 2k8p s ALA 117 Cb 0.07 -0.93 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 2k8p s ALA 117 CO -0.09 -0.55 0.11 -1.14 0.00 0.00 0.00 175.76 174.09 2k8p s GLN 118 N 1.78 3.42 -0.22 0.00 0.74 0.44 -4.89 119.66 120.93 2k8p s GLN 118 Ca 0.04 -0.20 -0.07 0.00 0.05 0.00 0.00 55.36 55.18 2k8p s GLN 118 Cb -0.13 -3.13 -0.03 0.00 1.10 0.00 0.00 33.01 30.82 2k8p s GLN 118 CO -0.07 0.71 0.05 1.03 -0.55 0.00 0.00 175.29 176.46 2k8p s ARG 119 N -0.85 3.69 0.12 1.67 0.52 -1.26 -0.26 118.95 122.58 2k8p s ARG 119 Ca 0.14 -0.47 0.05 0.00 -0.52 0.00 0.00 55.73 54.93 2k8p s ARG 119 Cb -0.12 -3.23 -0.04 0.00 0.52 0.00 0.00 34.95 32.08 2k8p s ARG 119 CO 0.03 -0.05 0.05 0.54 0.02 0.00 0.00 175.30 175.89 2k8p s VAL 120 N 1.23 4.18 -0.39 3.52 0.11 0.65 -4.96 120.40 124.74 2k8p s VAL 120 Ca 0.04 -1.05 -0.09 0.00 -2.93 0.00 0.00 61.98 57.96 2k8p s VAL 120 Cb -0.14 -3.05 0.06 0.00 -1.53 0.00 0.00 36.38 31.71 2k8p s VAL 120 CO 0.03 0.02 0.21 -1.58 -3.33 0.00 0.00 175.10 170.45 2k8p s GLN 121 N -2.64 2.64 -0.01 1.54 0.74 -1.26 -1.03 119.66 119.63 2k8p s GLN 121 Ca 0.28 -1.32 -0.23 0.00 0.05 0.00 0.00 55.36 54.15 2k8p s GLN 121 Cb -0.11 -3.68 -0.05 0.00 1.10 0.00 0.00 33.01 30.27 2k8p s GLN 121 CO 0.20 -0.83 0.67 -0.51 -0.55 0.00 0.00 175.29 174.27 2k8p s LEU 122 N 1.44 4.39 0.05 3.68 1.43 0.88 -2.22 118.68 128.32 2k8p s LEU 122 Ca 0.02 1.24 0.01 0.00 -1.03 0.00 0.00 54.13 54.36 2k8p s LEU 122 Cb -0.21 -3.05 -0.04 0.00 0.03 0.00 0.00 46.19 42.92 2k8p s LEU 122 CO 0.03 0.01 0.14 -0.76 0.23 0.00 0.00 176.35 176.00 2k8p s LEU 123 N 0.16 4.09 -0.34 1.79 2.01 0.68 -0.09 118.68 126.97 2k8p s LEU 123 Ca 0.35 0.16 0.01 0.00 0.01 0.00 0.00 54.13 54.66 2k8p s LEU 123 Cb -0.19 -2.64 0.09 0.00 0.01 0.00 0.00 46.19 43.47 2k8p s LEU 123 CO 0.19 0.20 0.07 0.00 1.01 0.00 0.00 176.35 177.82 2k8p s PRO 125 N 1.05 4.27 0.00 0.00 0.04 -1.26 -3.89 135.00 135.21 2k8p s PRO 125 Ca 0.05 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.11 2k8p s PRO 125 Cb -0.20 -3.57 0.00 0.00 0.04 0.00 0.00 34.50 30.77 2k8p s PRO 125 CO -0.05 -0.59 0.00 0.41 0.04 0.00 0.00 177.00 176.80 2k8p n GLY 126 N 3.69 2.61 0.00 0.56 0.00 -1.26 -4.78 105.19 106.01 2k8p n GLY 126 Ca 0.13 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 0.10 3.45 -0.02 0.00 -1.25 -5.14 105.19 102.32 2k8p n GLY 127 Ca 0.00 -0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 2k8p n GLY 127 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k8p n GLU 128 N -0.69 0.05 -2.59 1.61 4.71 -1.26 -4.98 120.64 117.49 2k8p n GLU 128 Ca 0.00 0.06 -0.27 0.00 -0.01 0.00 0.00 57.16 56.94 2k8p n GLU 128 Cb 0.00 -1.86 0.00 0.00 -1.01 0.00 0.00 31.44 28.58 2k8p n GLU 128 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2k8p s ALA 129 N -2.12 3.38 0.48 0.62 0.00 -1.26 -4.37 121.76 118.48 2k8p s ALA 129 Ca 0.62 -0.51 -0.22 0.00 0.00 0.00 0.00 51.96 51.85 2k8p s ALA 129 Cb -0.29 -2.61 -0.07 0.00 0.00 0.00 0.00 23.12 20.16 2k8p s ALA 129 CO 0.62 -0.40 1.16 -1.25 0.00 0.00 0.00 175.76 175.89 2k8p s PRO 130 N -4.78 3.68 -0.08 0.00 0.04 -1.26 -4.40 135.00 128.20 2k8p s PRO 130 Ca 0.48 1.74 0.05 0.00 0.04 0.00 0.00 61.00 63.31 2k8p s PRO 130 Cb -0.10 -2.33 -0.01 0.00 0.04 0.00 0.00 34.50 32.10 2k8p s PRO 130 CO 0.45 -0.61 -0.24 1.03 0.04 0.00 0.00 177.00 177.68 2k8p s ARG 131 N -2.81 2.86 -0.23 4.56 0.52 0.87 -4.93 118.95 119.78 2k8p s ARG 131 Ca 0.65 -0.87 -0.20 0.00 -0.52 0.00 0.00 55.73 54.79 2k8p s ARG 131 Cb -0.28 -2.27 -0.02 0.00 0.52 0.00 0.00 34.95 32.90 2k8p s ARG 131 CO 0.33 0.27 0.61 0.00 0.02 0.00 0.00 175.30 176.54 2k8p s ALA 132 N 0.12 3.59 -0.13 2.13 0.00 -1.26 -0.09 121.76 126.11 2k8p s ALA 132 Ca -0.12 -0.40 -0.01 0.00 0.00 0.00 0.00 51.96 51.43 2k8p s ALA 132 Cb -0.16 -2.99 -0.02 0.00 0.00 0.00 0.00 23.12 19.95 2k8p s ALA 132 CO 0.06 -0.70 -0.09 0.50 0.00 0.00 0.00 175.76 175.54 2k8p s ARG 133 N 2.25 3.40 -0.19 0.00 6.06 -0.20 -4.96 118.95 125.31 2k8p s ARG 133 Ca 0.26 -0.60 -0.08 0.00 -2.50 0.00 0.00 55.73 52.81 2k8p s ARG 133 Cb -0.16 -2.73 -0.04 0.00 0.06 0.00 0.00 34.95 32.08 2k8p s ARG 133 CO 0.09 0.29 0.08 0.21 -2.50 0.00 0.00 175.30 173.47 2k8p s LYS 134 N 0.18 3.98 -0.13 5.12 2.20 -1.26 -0.25 119.74 129.57 2k8p s LYS 134 Ca -0.05 -0.34 0.01 0.00 -0.36 0.00 0.00 55.97 55.24 2k8p s LYS 134 Cb -0.14 -3.27 -0.00 0.00 -1.51 0.00 0.00 37.83 32.90 2k8p s LYS 134 CO 0.04 0.23 -0.17 0.14 -0.36 0.00 0.00 175.35 175.22 2k8p s VAL 135 N 0.52 2.60 -0.46 4.02 -7.23 0.64 -4.97 120.40 115.51 2k8p s VAL 135 Ca 0.04 -0.81 -0.14 0.00 -1.81 0.00 0.00 61.98 59.26 2k8p s VAL 135 Cb -0.13 -2.07 0.08 0.00 0.56 0.00 0.00 36.38 34.82 2k8p s VAL 135 CO 0.01 0.53 0.36 -0.60 -0.31 0.00 0.00 175.10 175.09 2k8p s ARG 136 N 0.57 2.88 0.26 4.82 6.06 -1.26 -0.42 118.95 131.85 2k8p s ARG 136 Ca -0.10 -1.40 0.08 0.00 -2.50 0.00 0.00 55.73 51.81 2k8p s ARG 136 Cb -0.16 -4.04 -0.05 0.00 0.06 0.00 0.00 34.95 30.75 2k8p s ARG 136 CO 0.04 -1.02 -0.12 -0.48 -2.50 0.00 0.00 175.30 171.22 2k8p s LEU 137 N 1.58 2.55 0.40 -0.88 -0.00 -0.00 -4.98 118.68 117.34 2k8p s LEU 137 Ca 0.04 -1.10 -0.27 0.00 -0.00 0.00 0.00 54.13 52.80 2k8p s LEU 137 Cb -0.24 -0.76 -0.10 0.00 -0.00 0.00 0.00 46.19 45.08 2k8p s LEU 137 CO 0.05 -0.19 1.48 0.52 -0.00 0.00 0.00 176.35 178.20 2k8p n VAL 138 N -0.53 2.20 -0.11 1.48 0.31 -1.25 -0.83 118.33 119.59 2k8p n VAL 138 Ca -0.06 -0.50 -0.24 0.00 -0.01 0.00 0.00 64.34 63.53 2k8p n VAL 138 Cb 0.62 -1.95 -0.11 0.00 -0.91 0.00 0.00 33.84 31.49 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 0.27 1.15 -4.42 3.52 0.00 -0.48 -3.46 120.51 117.09 2k8p n ALA 139 Ca 0.02 -0.93 -0.26 0.00 0.00 0.00 0.00 53.44 52.27 2k8p n ALA 139 Cb 0.39 -0.16 -0.07 0.00 0.00 0.00 0.00 19.45 19.61 2k8p n ALA 139 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2k8p n SER 140 N -3.91 0.70 -3.63 0.00 7.64 -0.65 -4.90 113.62 108.88 2k8p n SER 140 Ca -0.45 -3.20 -0.07 0.00 1.01 0.00 0.00 58.87 56.16 2k8p n SER 140 Cb 0.90 1.22 -0.07 0.00 -1.01 0.00 0.00 64.21 65.25 2k8p n SER 140 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k8p s LYS 142 N -0.07 0.64 -0.31 0.00 0.00 -0.67 -4.95 119.74 114.38 2k8p s LYS 142 Ca 0.04 -0.96 -0.09 0.00 0.00 0.00 0.00 55.97 54.96 2k8p s LYS 142 Cb -0.04 -0.27 0.00 0.00 0.00 0.00 0.00 37.83 37.53 2k8p s LYS 142 CO -0.08 0.03 0.13 0.00 0.00 0.00 0.00 175.35 175.43 2k8p s LYS 144 N 1.56 0.69 -0.02 0.00 2.47 -1.25 -4.88 119.74 118.31 2k8p s LYS 144 Ca 0.03 -0.33 0.02 0.00 -1.56 0.00 0.00 55.97 54.13 2k8p s LYS 144 Cb -0.17 0.30 -0.03 0.00 -1.46 0.00 0.00 37.83 36.46 2k8p s LYS 144 CO 0.05 -0.20 -0.05 -0.98 0.16 0.00 0.00 175.35 174.33 2k8p s ARG 145 N -1.76 2.67 -0.29 4.03 1.70 -1.26 -4.35 118.95 119.68 2k8p s ARG 145 Ca -0.11 -0.64 -0.20 0.00 -0.47 0.00 0.00 55.73 54.31 2k8p s ARG 145 Cb -0.04 -2.57 0.17 0.00 -0.57 0.00 0.00 34.95 31.94 2k8p s ARG 145 CO 0.01 0.63 1.21 -1.17 -1.08 0.00 0.00 175.30 174.90 2k8p s LEU 146 N -1.26 -0.23 0.42 -1.89 0.20 -1.26 -5.14 118.68 109.52 2k8p s LEU 146 Ca 0.16 0.41 -0.21 0.00 0.69 0.00 0.00 54.13 55.18 2k8p s LEU 146 Cb -0.11 1.39 -0.11 0.00 -0.43 0.00 0.00 46.19 46.93 2k8p s LEU 146 CO 0.06 -0.07 0.95 0.42 -0.29 0.00 0.00 176.35 177.43 2k8p s THR 147 N 0.66 4.35 -0.12 3.68 -4.23 -1.26 -4.68 115.64 114.04 2k8p s THR 147 Ca -0.02 1.50 -0.08 0.00 -1.18 0.00 0.00 61.69 61.91 2k8p s THR 147 Cb -0.04 -3.63 0.03 0.00 1.34 0.00 0.00 72.50 70.21 2k8p s THR 147 CO -0.12 -0.28 0.17 -1.14 -0.54 0.00 0.00 174.62 172.71 2k8p n ARG 148 N -0.55 -4.33 -3.61 3.99 0.00 -1.26 -5.01 116.66 105.89 2k8p n ARG 148 Ca 0.07 3.27 -0.28 0.00 -0.00 0.00 0.00 57.85 60.90 2k8p n ARG 148 Cb 0.54 -4.58 -0.11 0.00 0.00 0.00 0.00 32.46 28.30 2k8p n ARG 148 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.63 177.75 2k8p s PHE 149 N -0.58 1.94 -0.11 -0.14 5.36 -1.26 -5.10 117.98 118.08 2k8p s PHE 149 Ca -0.19 -2.56 -0.23 0.00 -0.96 0.00 0.00 56.93 52.99 2k8p s PHE 149 Cb 0.01 -1.64 -0.03 0.00 -0.34 0.00 0.00 43.02 41.03 2k8p s PHE 149 CO 0.52 -0.74 0.70 -1.58 -1.46 0.00 0.00 175.22 172.65 2k8p s HIS 150 N -0.17 3.50 -0.07 10.12 2.46 -1.26 -5.06 115.29 124.81 2k8p s HIS 150 Ca 0.26 1.16 0.05 0.00 0.47 0.00 0.00 55.06 57.00 2k8p s HIS 150 Cb -0.08 -2.83 -0.01 0.00 -0.13 0.00 0.00 32.58 29.53 2k8p s HIS 150 CO -0.12 -0.02 -0.24 0.54 -2.47 0.00 0.00 174.74 172.43 2k8p s ASN 151 N 0.94 3.16 0.36 9.88 2.20 -1.26 -5.14 114.94 125.08 2k8p s ASN 151 Ca 0.35 -0.50 0.08 0.00 -0.94 0.00 0.00 52.86 51.85 2k8p s ASN 151 Cb -0.17 -0.98 -0.02 0.00 -2.00 0.00 0.00 41.25 38.07 2k8p s ASN 151 CO 0.15 0.23 0.32 -1.10 -2.94 0.00 0.00 177.10 173.76 2k8p s GLN 152 N -0.07 2.67 0.16 3.55 -0.21 -1.26 -5.11 119.66 119.40 2k8p s GLN 152 Ca -0.06 -1.36 -0.21 0.00 0.02 0.00 0.00 55.36 53.75 2k8p s GLN 152 Cb -0.15 -2.46 -0.08 0.00 1.00 0.00 0.00 33.01 31.33 2k8p s GLN 152 CO 0.05 0.00 0.69 -1.12 -2.12 0.00 0.00 175.29 172.79 2k8p s SER 153 N -4.04 7.14 -0.20 5.90 0.01 -1.26 -5.07 113.70 116.17 2k8p s SER 153 Ca 0.43 1.42 -0.12 0.00 1.31 0.00 0.00 55.95 58.99 2k8p s SER 153 Cb -0.05 -2.42 0.06 0.00 0.21 0.00 0.00 66.02 63.82 2k8p s SER 153 CO 0.27 0.15 0.49 -1.61 0.41 0.00 0.00 173.24 172.95 2k8p s GLU 154 N -1.52 0.50 -0.59 12.44 2.02 -1.26 -5.10 118.70 125.19 2k8p s GLU 154 Ca 0.37 0.89 0.05 0.00 0.02 0.00 0.00 54.97 56.31 2k8p s GLU 154 Cb -0.19 0.05 0.19 0.00 0.10 0.00 0.00 34.13 34.28 2k8p s GLU 154 CO 0.22 -0.15 0.50 1.47 0.02 0.00 0.00 175.26 177.32 2k8p n LEU 155 N 4.12 1.98 0.00 1.80 -0.00 -1.26 -5.09 117.00 118.56 2k8p n LEU 155 Ca -0.21 -4.99 -0.03 0.00 -0.00 0.00 0.00 56.01 50.78 2k8p n LEU 155 Cb 0.56 -0.27 -0.00 0.00 -0.00 0.00 0.00 43.42 43.71 2k8p n LEU 155 CO 0.06 1.86 -0.01 1.17 -0.00 0.00 0.00 177.39 180.47 2k8p n LYS 156 N 1.94 1.62 -3.53 1.47 4.81 -1.26 -5.17 118.16 118.05 2k8p n LYS 156 Ca 0.24 -0.39 -0.09 0.00 -0.87 0.00 0.00 58.31 57.20 2k8p n LYS 156 Cb 0.41 0.07 -0.03 0.00 0.02 0.00 0.00 35.03 35.50 2k8p n LYS 156 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 2k8p s ASP 157 N -1.33 -0.37 0.00 3.14 -4.77 -1.26 -5.19 116.67 106.89 2k8p s ASP 157 Ca 0.02 0.14 0.00 0.00 -3.30 0.00 0.00 52.55 49.41 2k8p s ASP 157 Cb -0.00 0.36 0.00 0.00 -1.09 0.00 0.00 42.92 42.19 2k8p s ASP 157 CO 0.01 -0.53 0.00 0.49 0.70 0.00 0.00 175.17 175.84 2k8p n PHE 158 N 0.07 -0.24 0.00 2.11 3.72 -1.26 -5.17 117.46 116.69 2k8p n PHE 158 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 2k8p n PHE 158 Cb 0.60 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.14 2k8p n PHE 158 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2k8p n GLY 159 N 0.00 0.02 3.31 1.37 0.00 -1.26 -5.10 105.19 103.53 2k8p n GLY 159 Ca 0.00 -0.53 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 2k8p n GLY 159 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2k8p s THR 160 N 0.00 -0.01 0.08 2.61 -1.32 -1.26 -5.17 115.64 110.57 2k8p s THR 160 Ca 0.00 0.02 0.03 0.00 -1.21 0.00 0.00 61.69 60.53 2k8p s THR 160 Cb 0.00 -0.60 -0.03 0.00 -1.51 0.00 0.00 72.50 70.36 2k8p s THR 160 CO 0.00 0.01 -0.08 -0.70 -2.21 0.00 0.00 174.62 171.63 2k8p s GLU 161 N 0.47 0.72 -0.01 7.08 2.12 -1.26 -5.16 118.70 122.66 2k8p s GLU 161 Ca -0.02 -1.06 0.01 0.00 0.36 0.00 0.00 54.97 54.26 2k8p s GLU 161 Cb -0.04 -0.36 0.01 0.00 0.26 0.00 0.00 34.13 34.00 2k8p s GLU 161 CO -0.02 0.04 -0.01 0.00 -0.54 0.00 0.00 175.26 174.73 2k8p s ALA 162 N -2.36 0.23 -0.27 6.30 0.00 -1.26 -5.15 121.76 119.25 2k8p s ALA 162 Ca 0.01 0.04 -0.25 0.00 0.00 0.00 0.00 51.96 51.76 2k8p s ALA 162 Cb -0.03 -0.16 0.07 0.00 0.00 0.00 0.00 23.12 22.99 2k8p s ALA 162 CO -0.01 -0.01 0.72 0.00 0.00 0.00 0.00 175.76 176.46 2k8p s ALA 163 N 0.43 -1.78 0.07 0.00 0.00 -1.26 -5.18 121.76 114.04 2k8p s ALA 163 Ca -0.04 2.04 -0.09 0.00 0.00 0.00 0.00 51.96 53.87 2k8p s ALA 163 Cb -0.07 -1.19 0.00 0.00 0.00 0.00 0.00 23.12 21.87 2k8p s ALA 163 CO -0.01 -0.34 0.19 -0.98 0.00 0.00 0.00 175.76 174.62 2k8p s ARG 164 N 0.43 0.78 0.86 0.00 3.03 -1.26 -5.17 118.95 117.62 2k8p s ARG 164 Ca -0.00 -0.81 -0.11 0.00 2.03 0.00 0.00 55.73 56.84 2k8p s ARG 164 Cb -0.05 0.32 0.11 0.00 -1.03 0.00 0.00 34.95 34.30 2k8p s ARG 164 CO 0.00 -0.24 1.09 -1.25 -1.13 0.00 0.00 175.30 173.78 2k8p s PRO 165 N -3.27 1.54 0.02 3.89 0.04 -1.26 -5.08 135.00 130.89 2k8p s PRO 165 Ca 0.00 0.92 0.00 0.00 0.04 0.00 0.00 61.00 61.96 2k8p s PRO 165 Cb 0.02 -1.83 -0.00 0.00 0.04 0.00 0.00 34.50 32.73 2k8p s PRO 165 CO -0.08 -2.07 0.01 0.94 0.04 0.00 0.00 177.00 175.84 2k8p n GLN 166 N -3.78 0.87 -3.72 4.56 7.27 -1.26 -5.18 117.38 116.14 2k8p n GLN 166 Ca 0.08 -0.21 -0.08 0.00 0.07 0.00 0.00 57.00 56.86 2k8p n GLN 166 Cb 0.55 0.12 -0.02 0.00 2.41 0.00 0.00 30.24 33.29 2k8p n GLN 166 CO 0.00 0.00 0.00 -1.59 0.07 0.00 0.00 177.06 175.54 2k8p s LYS 167 N -2.09 1.56 -0.35 3.69 -2.85 -1.26 -5.12 119.74 113.32 2k8p s LYS 167 Ca 0.01 -0.80 -0.03 0.00 -1.00 0.00 0.00 55.97 54.15 2k8p s LYS 167 Cb 0.00 0.58 0.25 0.00 -2.06 0.00 0.00 37.83 36.59 2k8p s LYS 167 CO 0.01 -0.71 1.15 0.41 0.10 0.00 0.00 175.35 176.31 2k8p n GLY 168 N -0.43 -1.58 2.99 0.59 0.00 -1.26 -5.16 105.19 100.34 2k8p n GLY 168 Ca -0.08 1.04 -0.19 0.00 0.00 0.00 0.00 46.02 46.80 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 0.50 0.73 0.24 1.61 1.70 -1.26 -5.16 118.95 117.32 2k8p s ARG 169 Ca 0.26 -0.27 0.12 0.00 -0.47 0.00 0.00 55.73 55.36 2k8p s ARG 169 Cb 0.17 -0.70 -0.05 0.00 -0.57 0.00 0.00 34.95 33.80 2k8p s ARG 169 CO -0.10 0.14 -0.21 -1.59 -1.08 0.00 0.00 175.30 172.45 2k8p s LYS 170 N -0.00 1.60 0.19 3.89 0.00 -1.26 -5.12 119.74 119.05 2k8p s LYS 170 Ca 0.00 -1.66 -0.30 0.00 0.00 0.00 0.00 55.97 54.01 2k8p s LYS 170 Cb -0.05 -1.77 -0.09 0.00 0.00 0.00 0.00 37.83 35.92 2k8p s LYS 170 CO -0.00 0.35 1.31 -1.25 0.00 0.00 0.00 175.35 175.76 2k8p s PRO 171 N -3.17 4.39 0.87 1.78 0.04 -1.26 -5.01 135.00 132.65 2k8p s PRO 171 Ca 0.26 2.05 -0.10 0.00 0.04 0.00 0.00 61.00 63.24 2k8p s PRO 171 Cb -0.06 -3.20 0.12 0.00 0.04 0.00 0.00 34.50 31.40 2k8p s PRO 171 CO 0.13 -0.25 1.12 1.03 0.04 0.00 0.00 177.00 179.06 2k8p s ARG 172 N -0.07 1.39 1.23 4.56 3.00 -1.26 -5.02 118.95 122.77 2k8p s ARG 172 Ca 0.57 1.35 -0.21 0.00 0.00 0.00 0.00 55.73 57.44 2k8p s ARG 172 Cb -0.36 -1.78 0.30 0.00 0.00 0.00 0.00 34.95 33.11 2k8p s ARG 172 CO 0.38 -2.31 1.09 -0.35 0.00 0.00 0.00 175.30 174.11 2k8p n PRO 173 N -3.99 -3.15 -4.45 3.54 -0.04 -1.26 -5.06 135.00 120.59 2k8p n PRO 173 Ca 0.10 -1.74 -0.33 0.00 -0.04 0.00 0.00 63.50 61.50 2k8p n PRO 173 Cb 0.53 -1.63 -0.10 0.00 -0.04 0.00 0.00 33.50 32.25 2k8p n PRO 173 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2k8p s ARG 174 N -5.47 2.65 0.23 0.54 1.70 -1.26 -5.12 118.95 112.22 2k8p s ARG 174 Ca 0.71 -0.65 -0.12 0.00 -0.47 0.00 0.00 55.73 55.20 2k8p s ARG 174 Cb -0.07 -2.56 -0.01 0.00 -0.57 0.00 0.00 34.95 31.74 2k8p s ARG 174 CO 0.54 0.62 0.43 0.00 -1.08 0.00 0.00 175.30 175.82 2k8p s ALA 175 N -0.97 -0.14 -0.30 7.88 0.00 -1.26 -5.18 121.76 121.79 2k8p s ALA 175 Ca 0.16 -0.91 -0.25 0.00 0.00 0.00 0.00 51.96 50.96 2k8p s ALA 175 Cb -0.11 1.06 0.18 0.00 0.00 0.00 0.00 23.12 24.25 2k8p s ALA 175 CO 0.07 -0.81 1.39 -0.98 0.00 0.00 0.00 175.76 175.43 2k8p s ARG 176 N -4.02 0.12 -0.04 0.00 1.70 -1.26 -5.17 118.95 110.28 2k8p s ARG 176 Ca 0.23 0.14 -0.02 0.00 -0.47 0.00 0.00 55.73 55.60 2k8p s ARG 176 Cb 0.00 0.06 0.02 0.00 -0.57 0.00 0.00 34.95 34.46 2k8p s ARG 176 CO 0.08 -0.01 0.08 0.45 -1.08 0.00 0.00 175.30 174.82 2k8p s SER 177 N 0.04 -0.05 -0.11 -2.89 0.15 -1.26 -5.15 113.70 104.43 2k8p s SER 177 Ca 0.07 0.17 -0.10 0.00 0.70 0.00 0.00 55.95 56.78 2k8p s SER 177 Cb -0.05 0.11 0.03 0.00 -1.71 0.00 0.00 66.02 64.40 2k8p s SER 177 CO -0.14 -0.09 0.29 0.00 1.20 0.00 0.00 173.24 174.50 2k8p s ALA 178 N 0.62 -0.73 0.03 5.45 0.00 -1.26 -5.17 121.76 120.70 2k8p s ALA 178 Ca -0.05 0.83 0.00 0.00 0.00 0.00 0.00 51.96 52.74 2k8p s ALA 178 Cb -0.07 -0.48 -0.02 0.00 0.00 0.00 0.00 23.12 22.55 2k8p s ALA 178 CO -0.02 -0.14 -0.04 -1.59 0.00 0.00 0.00 175.76 173.97 2k8p s LYS 179 N 0.15 0.40 0.47 0.00 -2.85 -1.26 -5.17 119.74 111.48 2k8p s LYS 179 Ca -0.00 -0.73 0.05 0.00 -1.00 0.00 0.00 55.97 54.29 2k8p s LYS 179 Cb -0.02 0.04 -0.02 0.00 -2.06 0.00 0.00 37.83 35.77 2k8p s LYS 179 CO 0.00 -0.04 0.18 0.00 0.10 0.00 0.00 175.35 175.60 2k8p s ALA 180 N -1.80 3.90 -0.03 0.59 0.00 -1.26 -5.06 121.76 118.08 2k8p s ALA 180 Ca -0.11 -1.50 0.04 0.00 0.00 0.00 0.00 51.96 50.39 2k8p s ALA 180 Cb -0.07 -0.33 -0.06 0.00 0.00 0.00 0.00 23.12 22.65 2k8p s ALA 180 CO -0.02 -0.20 0.04 0.27 0.00 0.00 0.00 175.76 175.85 2k8p n ASN 181 N -1.36 3.91 -3.06 0.00 0.23 -1.26 -5.08 115.26 108.64 2k8p n ASN 181 Ca -0.06 0.00 -0.15 0.00 -0.53 0.00 0.00 54.58 53.84 2k8p n ASN 181 Cb 0.65 0.76 0.02 0.00 -2.08 0.00 0.00 39.78 39.13 2k8p n ASN 181 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2k8p n GLN 182 N -2.04 -2.23 -3.64 -3.83 6.02 -1.26 -4.99 117.38 105.41 2k8p n GLN 182 Ca -0.06 1.90 -0.28 0.00 -0.01 0.00 0.00 57.00 58.55 2k8p n GLN 182 Cb 0.52 -4.13 -0.11 0.00 1.02 0.00 0.00 30.24 27.54 2k8p n GLN 182 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2k8p s ALA 183 N -1.97 2.42 -0.02 -1.58 0.00 -1.26 -5.10 121.76 114.25 2k8p s ALA 183 Ca 0.23 -2.97 -0.20 0.00 0.00 0.00 0.00 51.96 49.01 2k8p s ALA 183 Cb -0.04 -1.86 -0.05 0.00 0.00 0.00 0.00 23.12 21.16 2k8p s ALA 183 CO 0.73 -2.04 0.58 -2.00 0.00 0.00 0.00 175.76 173.04 2k8p s GLU 184 N -0.41 4.31 -1.21 0.00 2.56 -1.26 -4.98 118.70 117.72 2k8p s GLU 184 Ca 0.26 0.70 -0.18 0.00 0.00 0.00 0.00 54.97 55.76 2k8p s GLU 184 Cb -0.06 -3.35 -0.02 0.00 2.00 0.00 0.00 34.13 32.70 2k8p s GLU 184 CO -0.14 0.34 2.02 1.28 -0.56 0.00 0.00 175.26 178.21 2k8p n LEU 185 N 2.84 5.32 -3.99 2.70 7.99 -1.26 -4.87 117.00 125.73 2k8p n LEU 185 Ca -0.07 -3.64 -0.18 0.00 -0.01 0.00 0.00 56.01 52.11 2k8p n LEU 185 Cb 0.51 -1.53 -0.15 0.00 -0.11 0.00 0.00 43.42 42.14 2k8p n LEU 185 CO 0.43 0.20 -0.42 -0.70 -1.51 0.00 0.00 177.39 175.40 2k8p s GLU 186 N 4.25 0.62 -1.13 3.23 2.12 -1.26 -4.84 118.70 121.69 2k8p s GLU 186 Ca 0.54 -0.26 -0.02 0.00 0.36 0.00 0.00 54.97 55.59 2k8p s GLU 186 Cb 0.11 -0.60 0.00 0.00 0.26 0.00 0.00 34.13 33.90 2k8p s GLU 186 CO 0.02 0.15 0.95 0.09 -0.54 0.00 0.00 175.26 175.93 2k8p n ASN 187 N 2.95 -2.85 -3.99 -1.70 4.13 -1.26 -5.02 115.26 107.52 2k8p n ASN 187 Ca -0.14 -0.55 -0.25 0.00 1.68 0.00 0.00 54.58 55.32 2k8p n ASN 187 Cb 0.57 -4.71 -0.17 0.00 -1.54 0.00 0.00 39.78 33.94 2k8p n ASN 187 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2k8p s ALA 188 N -3.32 1.28 -2.04 5.41 0.00 -1.26 -5.25 121.76 116.57 2k8p s ALA 188 Ca 0.11 -0.46 0.32 0.00 0.00 0.00 0.00 51.96 51.93 2k8p s ALA 188 Cb -0.05 -0.67 1.84 0.00 0.00 0.00 0.00 23.12 24.24 2k8p s ALA 188 CO 0.67 -0.04 2.19 0.98 0.00 0.00 0.00 175.76 179.55