#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8d s LYS 5 N 0.00 4.24 0.00 0.03 1.02 -1.26 -4.99 119.74 118.78 2k8d s LYS 5 Ca 0.00 0.66 0.00 0.00 0.02 0.00 0.00 55.97 56.65 2k8d s LYS 5 Cb 0.00 -3.56 0.00 0.00 -0.52 0.00 0.00 37.83 33.75 2k8d s LYS 5 CO 0.00 -0.20 0.00 -0.40 -0.92 0.00 0.00 175.35 173.83 2k8d n ASP 6 N 4.87 0.00 -4.22 2.83 5.68 -1.26 -5.09 116.55 119.37 2k8d n ASP 6 Ca -0.01 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.15 2k8d n ASP 6 Cb 0.50 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.38 2k8d n ASP 6 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2k8d s ARG 7 N 1.23 0.96 -0.26 0.11 0.52 -1.26 -2.17 118.95 118.08 2k8d s ARG 7 Ca 0.00 -1.38 0.02 0.00 -0.52 0.00 0.00 55.73 53.85 2k8d s ARG 7 Cb 0.00 -0.49 0.06 0.00 0.52 0.00 0.00 34.95 35.05 2k8d s ARG 7 CO 0.00 0.05 -0.06 0.96 0.02 0.00 0.00 175.30 176.27 2k8d s ILE 8 N -3.29 1.83 -0.50 1.52 -4.36 0.91 -4.84 121.20 112.46 2k8d s ILE 8 Ca 0.14 -1.49 -0.27 0.00 -0.26 0.00 0.00 60.65 58.77 2k8d s ILE 8 Cb 0.03 -2.06 -0.01 0.00 1.25 0.00 0.00 42.46 41.66 2k8d s ILE 8 CO -0.01 -0.13 1.77 -2.16 0.24 0.00 0.00 174.94 174.65 2k8d s PRO 9 N 1.24 2.98 0.44 0.37 0.04 -1.26 -1.30 135.00 137.50 2k8d s PRO 9 Ca -0.05 0.87 -0.13 0.00 0.04 0.00 0.00 61.00 61.73 2k8d s PRO 9 Cb -0.19 -4.28 -0.07 0.00 0.04 0.00 0.00 34.50 30.00 2k8d s PRO 9 CO -0.06 -2.30 0.84 0.42 0.04 0.00 0.00 177.00 175.93 2k8d s ILE 10 N 7.86 4.70 0.06 0.56 -1.09 0.06 -4.57 121.20 128.78 2k8d s ILE 10 Ca 0.69 0.82 0.03 0.00 -2.23 0.00 0.00 60.65 59.96 2k8d s ILE 10 Cb -0.16 -3.73 -0.03 0.00 -1.58 0.00 0.00 42.46 36.97 2k8d s ILE 10 CO 0.26 -0.57 -0.09 -0.36 -1.23 0.00 0.00 174.94 172.95 2k8d s PHE 11 N -2.45 0.85 -0.56 3.97 0.40 -1.26 -0.31 117.98 118.61 2k8d s PHE 11 Ca 0.54 -0.58 0.05 0.00 -0.60 0.00 0.00 56.93 56.34 2k8d s PHE 11 Cb -0.10 -0.49 0.19 0.00 0.51 0.00 0.00 43.02 43.13 2k8d s PHE 11 CO 0.31 -0.06 0.47 0.43 0.70 0.00 0.00 175.22 177.07 2k8d n SER 12 N 1.08 1.58 -0.32 1.36 7.64 -0.12 -4.88 113.62 119.96 2k8d n SER 12 Ca -0.20 -2.89 0.10 0.00 1.01 0.00 0.00 58.87 56.89 2k8d n SER 12 Cb 0.56 -0.66 0.30 0.00 -1.01 0.00 0.00 64.21 63.40 2k8d n SER 12 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 2k8d h VAL 13 N 4.12 0.87 0.00 0.44 3.04 -1.92 0.56 116.25 123.36 2k8d h VAL 13 Ca 0.19 -0.29 0.00 0.00 -1.01 0.00 0.00 66.70 65.59 2k8d h VAL 13 Cb 0.81 -0.06 0.00 0.00 -2.01 0.00 0.00 31.29 30.03 2k8d h VAL 13 CO 0.58 0.16 0.03 0.00 -1.01 0.00 0.00 177.57 177.33 2k8d n ALA 14 N -2.38 1.00 -0.66 3.17 0.00 -1.26 -0.87 120.51 119.51 2k8d n ALA 14 Ca 0.19 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.81 2k8d n ALA 14 Cb 0.42 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.62 2k8d n ALA 14 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2k8d n LYS 15 N -2.20 1.16 -3.73 0.00 4.01 -0.10 -5.01 118.16 112.29 2k8d n LYS 15 Ca -0.01 -0.94 -0.30 0.00 -0.51 0.00 0.00 58.31 56.54 2k8d n LYS 15 Cb 0.06 -0.71 -0.06 0.00 -0.51 0.00 0.00 35.03 33.81 2k8d n LYS 15 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 2k8d n ASN 16 N -0.22 -1.13 -4.90 4.39 5.15 -0.00 -4.96 115.26 113.59 2k8d n ASN 16 Ca 0.00 -0.91 -0.29 0.00 -0.60 0.00 0.00 54.58 52.79 2k8d n ASN 16 Cb 0.42 -1.16 0.04 0.00 -0.53 0.00 0.00 39.78 38.54 2k8d n ASN 16 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2k8d s ARG 17 N -5.60 2.96 -0.03 1.20 0.52 -0.43 -4.88 118.95 112.69 2k8d s ARG 17 Ca 0.55 0.26 0.01 0.00 -0.52 0.00 0.00 55.73 56.03 2k8d s ARG 17 Cb -0.32 -2.15 0.02 0.00 0.52 0.00 0.00 34.95 33.02 2k8d s ARG 17 CO 0.75 -0.82 -0.03 0.08 0.02 0.00 0.00 175.30 175.29 2k8d s VAL 18 N -3.16 0.34 -0.26 3.52 1.01 -1.26 -0.95 120.40 119.64 2k8d s VAL 18 Ca 0.56 -0.06 -0.03 0.00 0.00 0.00 0.00 61.98 62.45 2k8d s VAL 18 Cb -0.11 -0.38 0.09 0.00 0.00 0.00 0.00 36.38 35.98 2k8d s VAL 18 CO 0.49 0.16 0.09 -1.83 0.00 0.00 0.00 175.10 174.00 2k8d s GLU 19 N 0.69 0.49 -0.07 2.72 1.03 0.57 -4.97 118.70 119.17 2k8d s GLU 19 Ca -0.08 -0.66 -0.30 0.00 0.03 0.00 0.00 54.97 53.97 2k8d s GLU 19 Cb -0.11 -1.77 -0.04 0.00 -0.80 0.00 0.00 34.13 31.41 2k8d s GLU 19 CO -0.01 -0.88 1.43 1.41 -1.33 0.00 0.00 175.26 175.89 2k8d s MET 20 N 1.86 4.24 0.20 -4.83 1.75 -1.26 -0.76 119.30 120.50 2k8d s MET 20 Ca 0.06 1.93 0.07 0.00 -1.25 0.00 0.00 55.69 56.51 2k8d s MET 20 Cb -0.17 -3.76 -0.04 0.00 2.84 0.00 0.00 34.83 33.70 2k8d s MET 20 CO -0.23 -0.69 0.04 0.08 -0.65 0.00 0.00 175.02 173.57 2k8d s VAL 21 N 3.23 3.87 0.54 10.11 1.01 -0.42 -4.91 120.40 133.82 2k8d s VAL 21 Ca 0.64 -1.46 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 2k8d s VAL 21 Cb -0.29 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.11 2k8d s VAL 21 CO 0.24 -0.19 0.82 -1.61 0.00 0.00 0.00 175.10 174.36 2k8d s GLU 22 N -3.21 2.97 0.44 2.72 2.02 -1.26 -0.06 118.70 122.32 2k8d s GLU 22 Ca 0.29 -0.18 -0.24 0.00 0.02 0.00 0.00 54.97 54.85 2k8d s GLU 22 Cb -0.09 -2.37 -0.08 0.00 0.10 0.00 0.00 34.13 31.69 2k8d s GLU 22 CO 0.20 -0.55 1.28 0.50 0.02 0.00 0.00 175.26 176.71 2k8d s ARG 23 N -4.84 3.77 -0.20 1.61 3.52 -0.92 -4.62 118.95 117.26 2k8d s ARG 23 Ca 0.52 2.07 -0.26 0.00 -0.13 0.00 0.00 55.73 57.94 2k8d s ARG 23 Cb -0.10 -2.58 -0.01 0.00 -1.56 0.00 0.00 34.95 30.70 2k8d s ARG 23 CO 0.43 -0.63 0.86 -1.50 -0.81 0.00 0.00 175.30 173.65 2k8d s ILE 24 N -1.34 4.83 -0.26 4.11 2.07 -1.26 -4.99 121.20 124.36 2k8d s ILE 24 Ca 0.61 1.67 -0.07 0.00 -1.41 0.00 0.00 60.65 61.45 2k8d s ILE 24 Cb -0.36 -4.16 0.13 0.00 0.13 0.00 0.00 42.46 38.20 2k8d s ILE 24 CO 0.45 -0.04 0.55 -1.83 -1.91 0.00 0.00 174.94 172.16 2k8d s GLU 25 N 2.55 0.48 0.35 3.50 -1.05 -1.26 -5.01 118.70 118.26 2k8d s GLU 25 Ca 0.38 1.21 0.05 0.00 -0.15 0.00 0.00 54.97 56.46 2k8d s GLU 25 Cb -0.16 0.58 -0.03 0.00 -0.44 0.00 0.00 34.13 34.08 2k8d s GLU 25 CO 0.10 -0.30 0.20 -0.51 0.95 0.00 0.00 175.26 175.69 2k8d s LEU 26 N 2.78 1.79 0.86 1.83 1.43 -1.26 -5.18 118.68 120.94 2k8d s LEU 26 Ca 0.00 -1.68 -0.09 0.00 -1.03 0.00 0.00 54.13 51.33 2k8d s LEU 26 Cb -0.13 0.25 0.18 0.00 0.03 0.00 0.00 46.19 46.52 2k8d s LEU 26 CO -0.17 -0.98 1.18 -0.94 0.23 0.00 0.00 176.35 175.68 2k8d s SER 27 N -3.45 3.58 0.29 2.29 1.04 -1.26 -5.00 113.70 111.20 2k8d s SER 27 Ca 0.34 -0.08 -0.03 0.00 0.48 0.00 0.00 55.95 56.66 2k8d s SER 27 Cb 0.03 -0.07 0.41 0.00 0.10 0.00 0.00 66.02 66.49 2k8d s SER 27 CO 0.20 -2.40 1.96 -0.78 0.98 0.00 0.00 173.24 173.21 2k8d h ASP 28 N -1.17 0.98 1.48 7.02 3.58 -2.02 -3.28 116.42 123.00 2k8d h ASP 28 Ca -0.40 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.02 2k8d h ASP 28 Cb 1.24 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 42.05 2k8d h ASP 28 CO 0.37 0.71 0.00 -0.78 -2.88 0.00 0.00 179.24 176.66 2k8d h ASP 29 N 1.15 0.00 -0.13 2.28 1.82 -2.04 -3.29 116.42 116.21 2k8d h ASP 29 Ca 0.31 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.87 2k8d h ASP 29 Cb -0.12 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 39.89 2k8d h ASP 29 CO -0.07 0.00 -0.22 -0.33 -1.61 0.00 0.00 179.24 177.02 2k8d h GLU 30 N 0.00 0.37 -0.44 0.28 4.39 -1.96 -3.27 114.58 113.95 2k8d h GLU 30 Ca 0.00 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.47 2k8d h GLU 30 Cb 0.74 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.41 2k8d h GLU 30 CO 0.00 0.82 0.00 0.91 -1.16 0.00 0.00 179.01 179.58 2k8d n TRP 31 N -4.49 0.00 0.00 4.33 7.02 -1.24 -0.84 117.44 122.22 2k8d n TRP 31 Ca -0.07 -0.01 0.00 0.00 -1.02 0.00 0.00 57.50 56.40 2k8d n TRP 31 Cb 0.42 -0.04 0.00 0.00 -2.42 0.00 0.00 31.31 29.27 2k8d n TRP 31 CO 0.00 0.00 0.00 2.89 -2.02 0.00 0.00 177.69 178.56 2k8d n ARG 32 N 0.48 1.68 0.00 -0.99 0.00 -1.23 -4.65 116.66 111.95 2k8d n ARG 32 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2k8d n ARG 32 Cb 0.05 -0.14 0.00 0.00 -0.00 0.00 0.00 32.46 32.37 2k8d n ARG 32 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 2k8d n GLU 33 N -0.21 1.50 -0.66 2.89 0.28 -0.02 -4.60 120.64 119.82 2k8d n GLU 33 Ca 0.00 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 57.01 2k8d n GLU 33 Cb 0.00 -0.88 0.23 0.00 1.43 0.00 0.00 31.44 32.22 2k8d n GLU 33 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 2k8d n ILE 34 N -1.35 2.47 -4.51 3.84 -5.35 -0.28 -5.02 119.36 109.16 2k8d n ILE 34 Ca 0.00 -2.27 -0.24 0.00 -0.27 0.00 0.00 62.75 59.97 2k8d n ILE 34 Cb 0.00 -0.30 -0.11 0.00 -1.74 0.00 0.00 39.64 37.49 2k8d n ILE 34 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2k8d s LEU 35 N -3.05 2.46 0.47 7.28 1.43 -1.26 -4.96 118.68 121.05 2k8d s LEU 35 Ca 0.44 -1.36 -0.24 0.00 -1.03 0.00 0.00 54.13 51.95 2k8d s LEU 35 Cb 0.38 -0.60 -0.07 0.00 0.03 0.00 0.00 46.19 45.93 2k8d s LEU 35 CO 0.05 -0.52 1.36 -1.81 0.23 0.00 0.00 176.35 175.65 2k8d s ASP 36 N -3.56 5.83 0.12 2.29 1.01 -1.26 -4.91 116.67 116.18 2k8d s ASP 36 Ca 0.35 2.76 0.17 0.00 0.71 0.00 0.00 52.55 56.54 2k8d s ASP 36 Cb 0.09 -2.64 0.73 0.00 1.01 0.00 0.00 42.92 42.11 2k8d s ASP 36 CO 0.16 -1.19 1.53 -0.81 0.21 0.00 0.00 175.17 175.07 2k8d n PRO 37 N -0.38 0.08 0.10 8.23 -0.04 -1.26 -1.38 135.00 140.35 2k8d n PRO 37 Ca 0.06 0.36 -0.23 0.00 -0.04 0.00 0.00 63.50 63.66 2k8d n PRO 37 Cb 0.44 -1.67 -0.14 0.00 -0.04 0.00 0.00 33.50 32.08 2k8d n PRO 37 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2k8d h GLU 38 N 0.00 0.53 -0.96 0.54 4.81 -2.00 -3.34 114.58 114.15 2k8d h GLU 38 Ca 0.00 -0.79 0.04 0.00 -0.13 0.00 0.00 59.36 58.47 2k8d h GLU 38 Cb 0.25 0.28 -0.06 0.00 0.63 0.00 0.00 28.75 29.86 2k8d h GLU 38 CO 0.00 1.37 0.63 0.00 -0.73 0.00 0.00 179.01 180.27 2k8d h ALA 39 N 0.20 1.38 -0.72 2.92 0.00 -1.59 0.30 119.26 121.75 2k8d h ALA 39 Ca -0.20 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2k8d h ALA 39 Cb 1.93 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 19.34 2k8d h ALA 39 CO 0.23 0.52 0.40 0.35 0.00 0.00 0.00 179.25 180.76 2k8d h PHE 40 N 1.21 0.97 0.01 0.00 3.57 -1.67 0.21 116.94 121.24 2k8d h PHE 40 Ca 0.38 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.85 2k8d h PHE 40 Cb 0.01 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.44 2k8d h PHE 40 CO -0.00 0.67 -0.07 0.07 -2.23 0.00 0.00 178.31 176.75 2k8d h ARG 41 N 1.00 0.03 0.00 1.11 0.11 -1.53 -3.36 114.38 111.75 2k8d h ARG 41 Ca 0.26 -0.05 -0.00 0.00 0.10 0.00 0.00 59.98 60.29 2k8d h ARG 41 Cb 0.01 0.02 -0.00 0.00 1.11 0.00 0.00 29.97 31.10 2k8d h ARG 41 CO -0.04 0.93 -0.00 0.28 0.10 0.00 0.00 179.97 181.24 2k8d h VAL 42 N -0.85 0.42 0.00 0.08 2.07 -0.04 0.24 116.25 118.18 2k8d h VAL 42 Ca -0.01 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 2k8d h VAL 42 Cb 0.96 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.74 2k8d h VAL 42 CO 0.01 0.00 -0.11 0.00 0.02 0.00 0.00 177.57 177.50 2k8d h ALA 43 N 2.00 1.24 0.00 1.67 0.00 -0.73 -1.49 119.26 121.95 2k8d h ALA 43 Ca -0.00 -0.10 -0.28 0.00 0.00 0.00 0.00 54.91 54.53 2k8d h ALA 43 Cb 0.01 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 2k8d h ALA 43 CO 0.00 0.14 -2.04 2.89 0.00 0.00 0.00 179.25 180.24 2k8d n ARG 44 N -3.57 0.74 -0.22 0.00 1.85 0.69 -4.55 116.66 111.60 2k8d n ARG 44 Ca -0.02 0.08 0.06 0.00 -1.00 0.00 0.00 57.85 56.97 2k8d n ARG 44 Cb 0.24 -1.37 0.18 0.00 -1.05 0.00 0.00 32.46 30.46 2k8d n ARG 44 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 2k8d n LYS 45 N -2.92 1.99 -4.20 2.89 2.85 -0.31 -4.94 118.16 113.52 2k8d n LYS 45 Ca -0.31 -1.43 -0.30 0.00 -1.05 0.00 0.00 58.31 55.22 2k8d n LYS 45 Cb 0.88 -1.34 -0.07 0.00 -0.65 0.00 0.00 35.03 33.84 2k8d n LYS 45 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2k8d n ALA 46 N 0.63 -2.05 -0.31 0.58 0.00 -0.60 -0.96 120.51 117.79 2k8d n ALA 46 Ca 0.13 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.18 2k8d n ALA 46 Cb 0.36 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.68 2k8d n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k8d n GLY 47 N -2.39 2.37 2.61 0.00 0.00 -0.97 -4.53 105.19 102.28 2k8d n GLY 47 Ca -0.31 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.45 2k8d n GLY 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k8d s THR 48 N -3.31 -0.12 0.05 2.61 -4.23 -0.13 -5.03 115.64 105.49 2k8d s THR 48 Ca 0.00 -0.37 -0.24 0.00 -1.18 0.00 0.00 61.69 59.91 2k8d s THR 48 Cb 0.00 -0.73 -0.16 0.00 1.34 0.00 0.00 72.50 72.94 2k8d s THR 48 CO 0.00 -0.43 1.57 -0.33 -0.54 0.00 0.00 174.62 174.89 2k8d h GLU 49 N 8.40 0.02 -7.23 3.99 5.08 -1.93 -3.45 114.58 119.46 2k8d h GLU 49 Ca -0.17 -0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.69 2k8d h GLU 49 Cb 1.10 -0.00 0.08 0.00 0.50 0.00 0.00 28.75 30.43 2k8d h GLU 49 CO 0.34 0.19 0.37 -1.25 -1.00 0.00 0.00 179.01 177.67 2k8d s PRO 50 N -5.48 3.13 0.00 2.33 0.04 -1.26 -4.95 135.00 128.82 2k8d s PRO 50 Ca -0.14 1.18 0.23 0.00 0.04 0.00 0.00 61.00 62.31 2k8d s PRO 50 Cb 0.05 -2.01 1.34 0.00 0.04 0.00 0.00 34.50 33.92 2k8d s PRO 50 CO 0.67 -0.96 1.76 -0.35 0.04 0.00 0.00 177.00 178.17 2k8d n PRO 51 N -2.35 0.64 -4.03 0.56 -0.04 -1.26 -4.73 135.00 123.79 2k8d n PRO 51 Ca 0.09 0.02 -0.08 0.00 -0.04 0.00 0.00 63.50 63.49 2k8d n PRO 51 Cb 0.53 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.40 2k8d n PRO 51 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2k8d s PHE 52 N -2.13 0.44 -0.19 0.54 0.40 -1.26 -5.11 117.98 110.66 2k8d s PHE 52 Ca 0.32 -0.95 -0.29 0.00 -0.60 0.00 0.00 56.93 55.42 2k8d s PHE 52 Cb 0.16 -0.30 -0.05 0.00 0.51 0.00 0.00 43.02 43.34 2k8d s PHE 52 CO 0.29 -0.44 1.95 0.95 0.70 0.00 0.00 175.22 178.68 2k8d s THR 53 N -3.91 3.26 1.28 0.64 -4.23 -1.26 -5.01 115.64 106.40 2k8d s THR 53 Ca 0.07 0.28 -0.17 0.00 -1.18 0.00 0.00 61.69 60.70 2k8d s THR 53 Cb 0.07 -3.29 0.32 0.00 1.34 0.00 0.00 72.50 70.95 2k8d s THR 53 CO -0.10 -0.14 0.99 -0.83 -0.54 0.00 0.00 174.62 174.00 2k8d s GLY 54 N 6.20 1.49 0.22 3.99 0.00 -1.26 -5.09 107.32 112.87 2k8d s GLY 54 Ca 0.88 -0.41 0.07 0.00 0.00 0.00 0.00 44.72 45.26 2k8d s GLY 54 CO 0.35 0.43 -0.13 0.54 0.00 0.00 0.00 173.10 174.29 2k8d s LYS 55 N -4.68 1.36 0.19 2.90 3.01 -1.26 -5.14 119.74 116.12 2k8d s LYS 55 Ca 0.69 -1.62 -0.09 0.00 -1.01 0.00 0.00 55.97 53.93 2k8d s LYS 55 Cb -0.21 -1.11 -0.01 0.00 -1.01 0.00 0.00 37.83 35.49 2k8d s LYS 55 CO 0.62 0.15 0.32 -0.47 0.51 0.00 0.00 175.35 176.49 2k8d s TYR 56 N -2.99 0.46 -0.07 3.18 5.04 -1.26 -5.16 117.35 116.55 2k8d s TYR 56 Ca 0.24 -0.81 -0.17 0.00 -2.44 0.00 0.00 57.07 53.89 2k8d s TYR 56 Cb 0.00 -0.04 0.03 0.00 0.35 0.00 0.00 41.96 42.30 2k8d s TYR 56 CO 0.08 -0.78 0.39 -3.38 -1.34 0.00 0.00 175.55 170.51 2k8d s HIS 57 N -4.00 -0.34 0.22 4.97 -3.43 -1.26 -4.43 115.29 107.03 2k8d s HIS 57 Ca 0.21 0.67 -0.00 0.00 -0.80 0.00 0.00 55.06 55.14 2k8d s HIS 57 Cb 0.03 0.15 -0.04 0.00 -1.43 0.00 0.00 32.58 31.29 2k8d s HIS 57 CO 0.04 -0.35 0.15 0.34 -2.00 0.00 0.00 174.74 172.91 2k8d s ASP 58 N -0.75 0.35 0.00 7.38 -1.08 -0.28 -4.93 116.67 117.36 2k8d s ASP 58 Ca -0.08 -1.43 0.00 0.00 -0.52 0.00 0.00 52.55 50.52 2k8d s ASP 58 Cb -0.04 0.39 0.00 0.00 -1.46 0.00 0.00 42.92 41.82 2k8d s ASP 58 CO 0.04 -0.86 0.24 0.18 0.52 0.00 0.00 175.17 175.29 2k8d n LEU 59 N -0.31 0.27 -3.74 -1.34 4.77 -1.26 -3.89 117.00 111.50 2k8d n LEU 59 Ca 0.03 -0.27 -0.29 0.00 -0.03 0.00 0.00 56.01 55.45 2k8d n LEU 59 Cb 0.66 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.59 2k8d n LEU 59 CO 0.33 0.07 -0.36 -1.00 -1.33 0.00 0.00 177.39 175.10 2k8d s HIS 60 N -0.06 1.29 0.00 -1.77 3.76 -1.26 -5.03 115.29 112.22 2k8d s HIS 60 Ca 0.00 -1.21 0.00 0.00 -0.15 0.00 0.00 55.06 53.70 2k8d s HIS 60 Cb 0.00 -1.28 0.00 0.00 1.11 0.00 0.00 32.58 32.41 2k8d s HIS 60 CO 0.00 -0.72 1.02 -0.25 -0.85 0.00 0.00 174.74 173.93 2k8d n ASP 61 N 4.97 2.72 -4.94 1.40 9.92 -1.26 -4.86 116.55 124.51 2k8d n ASP 61 Ca -0.07 -1.71 -0.25 0.00 -0.53 0.00 0.00 54.79 52.24 2k8d n ASP 61 Cb 0.45 -0.57 0.05 0.00 -0.64 0.00 0.00 41.12 40.41 2k8d n ASP 61 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2k8d s ASP 62 N 1.98 5.12 0.00 -2.24 2.15 -1.26 -4.60 116.67 117.83 2k8d s ASP 62 Ca 0.00 0.39 0.00 0.00 0.43 0.00 0.00 52.55 53.37 2k8d s ASP 62 Cb 0.00 -1.19 0.00 0.00 -0.30 0.00 0.00 42.92 41.43 2k8d s ASP 62 CO 0.00 -1.34 0.00 0.61 -0.17 0.00 0.00 175.17 174.27 2k8d n GLY 63 N -2.68 1.57 3.17 2.66 0.00 -1.26 -4.64 105.19 104.00 2k8d n GLY 63 Ca 0.07 -1.89 -0.13 0.00 0.00 0.00 0.00 46.02 44.06 2k8d n GLY 63 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2k8d s ILE 64 N -2.66 0.86 0.38 -0.61 -4.36 -0.56 -3.00 121.20 111.25 2k8d s ILE 64 Ca 0.00 -1.65 -0.24 0.00 -0.26 0.00 0.00 60.65 58.50 2k8d s ILE 64 Cb 0.00 -1.36 -0.10 0.00 1.25 0.00 0.00 42.46 42.25 2k8d s ILE 64 CO 0.00 -0.61 0.96 -0.31 0.24 0.00 0.00 174.94 175.23 2k8d s TYR 65 N -2.59 3.46 -0.32 1.37 2.02 0.64 -1.00 117.35 120.93 2k8d s TYR 65 Ca 0.05 1.69 -0.05 0.00 -0.37 0.00 0.00 57.07 58.39 2k8d s TYR 65 Cb -0.02 -2.92 0.04 0.00 -0.40 0.00 0.00 41.96 38.65 2k8d s TYR 65 CO -0.01 -0.06 0.07 1.03 -1.57 0.00 0.00 175.55 175.01 2k8d s ARG 66 N -2.59 2.65 -0.88 -0.62 1.81 0.92 -0.46 118.95 119.77 2k8d s ARG 66 Ca 0.56 -1.15 -0.25 0.00 -1.72 0.00 0.00 55.73 53.18 2k8d s ARG 66 Cb -0.15 -3.35 -0.11 0.00 -0.45 0.00 0.00 34.95 30.89 2k8d s ARG 66 CO 0.20 -0.61 2.17 0.00 -0.68 0.00 0.00 175.30 176.38 2k8d h ILE 68 N 7.35 0.88 0.00 0.00 2.10 -1.79 -0.14 117.51 125.91 2k8d h ILE 68 Ca 0.05 -0.35 0.00 0.00 1.08 0.00 0.00 64.86 65.64 2k8d h ILE 68 Cb 1.00 1.20 0.00 0.00 -1.09 0.00 0.00 36.82 37.93 2k8d h ILE 68 CO 1.10 0.09 0.00 0.00 -1.08 0.00 0.00 178.15 178.26 2k8d n GLY 71 N -0.02 -0.50 3.10 0.00 0.00 -0.15 -4.95 105.19 102.67 2k8d n GLY 71 Ca 0.00 0.15 -0.18 0.00 0.00 0.00 0.00 46.02 46.00 2k8d n GLY 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k8d s THR 72 N -3.16 0.90 0.87 2.61 2.01 -1.02 -5.00 115.64 112.84 2k8d s THR 72 Ca 0.54 -0.95 -0.13 0.00 0.31 0.00 0.00 61.69 61.45 2k8d s THR 72 Cb -0.27 -0.84 0.13 0.00 0.01 0.00 0.00 72.50 71.53 2k8d s THR 72 CO 0.66 -0.09 1.23 -1.81 -0.69 0.00 0.00 174.62 173.93 2k8d s ASP 73 N -1.17 3.91 0.00 3.53 1.11 -1.26 0.46 116.67 123.25 2k8d s ASP 73 Ca -0.01 0.54 0.00 0.00 0.18 0.00 0.00 52.55 53.25 2k8d s ASP 73 Cb -0.08 -0.84 0.00 0.00 1.07 0.00 0.00 42.92 43.07 2k8d s ASP 73 CO 0.01 -2.25 0.00 0.00 1.18 0.00 0.00 175.17 174.11 2k8d n LEU 74 N -3.49 0.00 -4.58 1.23 -0.00 0.39 -4.61 117.00 105.93 2k8d n LEU 74 Ca 0.11 0.00 -0.50 0.00 -0.00 0.00 0.00 56.01 55.62 2k8d n LEU 74 Cb 0.60 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.97 2k8d n LEU 74 CO 0.52 0.00 0.80 0.49 -0.00 0.00 0.00 177.39 179.20 2k8d n PHE 75 N 0.00 1.39 -2.83 1.47 3.72 -1.26 -4.15 117.46 115.80 2k8d n PHE 75 Ca 0.00 0.66 -0.36 0.00 -0.05 0.00 0.00 57.45 57.70 2k8d n PHE 75 Cb 0.00 -2.30 -0.06 0.00 -0.94 0.00 0.00 39.48 36.17 2k8d n PHE 75 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2k8d s ASP 76 N 0.23 7.24 0.58 4.37 -1.08 -1.26 -0.26 116.67 126.48 2k8d s ASP 76 Ca 0.79 1.76 0.28 0.00 -0.52 0.00 0.00 52.55 54.86 2k8d s ASP 76 Cb -0.90 -2.55 1.54 0.00 -1.46 0.00 0.00 42.92 39.54 2k8d s ASP 76 CO 0.50 -0.10 2.00 0.28 0.52 0.00 0.00 175.17 178.36 2k8d h SER 77 N 3.00 0.00 0.25 -0.34 0.02 -1.80 -0.96 113.55 113.72 2k8d h SER 77 Ca -0.47 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.47 2k8d h SER 77 Cb 1.19 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.73 2k8d h SER 77 CO 0.64 0.00 -0.02 1.05 -1.14 0.00 0.00 176.83 177.37 2k8d h GLU 78 N 0.00 0.00 0.00 3.45 4.11 -1.88 0.21 114.58 120.47 2k8d h GLU 78 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.59 2k8d h GLU 78 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2k8d h GLU 78 CO -0.00 0.02 0.00 0.25 0.07 0.00 0.00 179.01 179.34 2k8d n THR 79 N -3.24 0.15 -4.47 -1.06 -2.24 -0.36 -4.95 114.28 98.10 2k8d n THR 79 Ca -0.02 -0.02 -0.26 0.00 -2.27 0.00 0.00 64.05 61.48 2k8d n THR 79 Cb 0.14 -0.55 -0.04 0.00 -2.10 0.00 0.00 70.33 67.78 2k8d n THR 79 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2k8d n LYS 80 N -1.60 0.95 -1.01 -0.78 0.00 0.06 -3.22 118.16 112.56 2k8d n LYS 80 Ca 0.07 -3.02 0.02 0.00 0.00 0.00 0.00 58.31 55.37 2k8d n LYS 80 Cb 0.34 0.72 0.01 0.00 0.00 0.00 0.00 35.03 36.09 2k8d n LYS 80 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 2k8d n PHE 81 N -1.15 0.00 -0.15 5.64 3.72 -1.26 -4.86 117.46 119.40 2k8d n PHE 81 Ca -0.14 -0.26 0.11 0.00 -0.05 0.00 0.00 57.45 57.10 2k8d n PHE 81 Cb 0.53 -0.08 0.44 0.00 -0.94 0.00 0.00 39.48 39.43 2k8d n PHE 81 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2k8d h ASP 82 N 0.50 0.49 -0.59 4.37 3.32 -1.89 0.21 116.42 122.82 2k8d h ASP 82 Ca -0.13 0.01 -0.60 0.00 0.02 0.00 0.00 57.03 56.33 2k8d h ASP 82 Cb 1.64 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 41.05 2k8d h ASP 82 CO 0.04 0.29 2.09 -0.24 -1.72 0.00 0.00 179.24 179.71 2k8d n SER 83 N -4.49 4.21 0.00 6.45 2.88 -1.25 -1.13 113.62 120.30 2k8d n SER 83 Ca 0.12 -2.84 0.00 0.00 -1.33 0.00 0.00 58.87 54.81 2k8d n SER 83 Cb 0.37 -1.70 0.00 0.00 -0.75 0.00 0.00 64.21 62.13 2k8d n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k8d n GLY 84 N 5.24 0.17 0.00 0.46 0.00 -0.98 -4.95 105.19 105.13 2k8d n GLY 84 Ca 0.49 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.66 2k8d n GLY 84 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2k8d n THR 85 N 0.00 0.00 -1.47 2.61 5.66 0.44 -5.01 114.28 116.52 2k8d n THR 85 Ca 0.00 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.84 2k8d n THR 85 Cb 0.00 0.27 -0.07 0.00 -1.55 0.00 0.00 70.33 68.98 2k8d n THR 85 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2k8d n GLY 86 N 0.00 1.57 3.76 1.09 0.00 0.43 -4.69 105.19 107.34 2k8d n GLY 86 Ca 0.00 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 2k8d n GLY 86 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2k8d s TRP 87 N -2.46 2.83 -0.21 1.61 -0.00 -1.26 -4.78 118.94 114.68 2k8d s TRP 87 Ca 0.00 1.03 -0.06 0.00 -0.00 0.00 0.00 56.10 57.07 2k8d s TRP 87 Cb 0.00 -3.93 -0.23 0.00 -0.00 0.00 0.00 33.47 29.31 2k8d s TRP 87 CO 0.00 -2.93 3.39 -0.35 -0.00 0.00 0.00 176.95 177.05 2k8d n PRO 88 N 1.63 2.11 -3.69 5.86 -0.04 -1.26 -4.63 135.00 134.99 2k8d n PRO 88 Ca 0.05 -1.10 -0.22 0.00 -0.04 0.00 0.00 63.50 62.18 2k8d n PRO 88 Cb 0.39 -2.08 -0.18 0.00 -0.04 0.00 0.00 33.50 31.60 2k8d n PRO 88 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2k8d s SER 89 N 2.09 1.59 0.58 3.54 1.04 -1.26 -2.10 113.70 119.18 2k8d s SER 89 Ca 0.64 -0.14 0.08 0.00 0.48 0.00 0.00 55.95 57.00 2k8d s SER 89 Cb 0.29 -0.27 0.08 0.00 0.10 0.00 0.00 66.02 66.21 2k8d s SER 89 CO -0.01 -0.26 0.65 -0.36 0.98 0.00 0.00 173.24 174.24 2k8d s PHE 90 N 2.09 1.33 -0.02 5.02 0.08 0.69 -4.86 117.98 122.30 2k8d s PHE 90 Ca 0.04 -0.82 0.01 0.00 0.12 0.00 0.00 56.93 56.28 2k8d s PHE 90 Cb -0.13 -2.05 -0.01 0.00 -0.57 0.00 0.00 43.02 40.26 2k8d s PHE 90 CO -0.05 -0.94 0.02 2.48 -0.10 0.00 0.00 175.22 176.63 2k8d n TYR 91 N -2.09 0.00 -3.84 0.36 4.11 -1.20 -0.01 117.16 114.50 2k8d n TYR 91 Ca 0.08 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.88 2k8d n TYR 91 Cb 0.63 -0.00 -0.00 0.00 -0.00 0.00 0.00 39.34 39.96 2k8d n TYR 91 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.86 173.39 2k8d n ASP 92 N -1.17 -1.60 -4.15 9.48 -0.08 -1.26 -4.65 116.55 113.13 2k8d n ASP 92 Ca 0.00 -2.52 -0.14 0.00 -1.51 0.00 0.00 54.79 50.62 2k8d n ASP 92 Cb 0.01 2.78 -0.11 0.00 2.34 0.00 0.00 41.12 46.14 2k8d n ASP 92 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2k8d s VAL 93 N -2.50 0.84 0.02 5.18 1.01 -1.26 -4.90 120.40 118.78 2k8d s VAL 93 Ca 0.20 -1.49 -0.26 0.00 0.00 0.00 0.00 61.98 60.42 2k8d s VAL 93 Cb -0.03 -1.17 -0.16 0.00 0.00 0.00 0.00 36.38 35.02 2k8d s VAL 93 CO 0.14 -0.50 1.23 0.58 0.00 0.00 0.00 175.10 176.55 2k8d h VAL 94 N 3.83 0.40 0.00 2.92 2.07 -1.97 -3.50 116.25 120.01 2k8d h VAL 94 Ca -0.37 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 66.73 2k8d h VAL 94 Cb 1.19 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 2k8d h VAL 94 CO 0.49 0.06 0.00 -1.20 0.02 0.00 0.00 177.57 176.94 2k8d n SER 95 N -5.27 0.00 -4.57 0.57 7.64 -1.26 -4.93 113.62 105.81 2k8d n SER 95 Ca -0.11 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.41 2k8d n SER 95 Cb 0.31 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.48 2k8d n SER 95 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2k8d s GLU 96 N -2.00 3.33 0.08 1.43 2.02 -1.26 -4.55 118.70 117.75 2k8d s GLU 96 Ca 0.00 -1.25 -0.00 0.00 0.02 0.00 0.00 54.97 53.74 2k8d s GLU 96 Cb 0.00 -5.34 -0.00 0.00 0.10 0.00 0.00 34.13 28.89 2k8d s GLU 96 CO 0.00 -2.75 -0.01 -2.39 0.02 0.00 0.00 175.26 170.14 2k8d n HIS 97 N 10.62 0.00 0.71 1.61 1.44 -1.26 -4.79 115.22 123.55 2k8d n HIS 97 Ca 0.41 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 56.21 2k8d n HIS 97 Cb 0.48 -0.01 0.04 0.00 0.12 0.00 0.00 29.99 30.62 2k8d n HIS 97 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 2k8d n ASN 98 N -3.42 2.13 -4.32 4.39 6.94 -1.26 -4.53 115.26 115.19 2k8d n ASN 98 Ca -0.00 -1.57 -0.22 0.00 -0.02 0.00 0.00 54.58 52.77 2k8d n ASN 98 Cb 0.10 0.17 -0.12 0.00 -2.36 0.00 0.00 39.78 37.57 2k8d n ASN 98 CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 2k8d s ILE 99 N -1.60 1.79 -0.02 1.53 -1.16 -1.26 -0.08 121.20 120.40 2k8d s ILE 99 Ca 0.18 -1.82 -0.00 0.00 -0.51 0.00 0.00 60.65 58.49 2k8d s ILE 99 Cb 0.14 -1.77 0.02 0.00 0.61 0.00 0.00 42.46 41.46 2k8d s ILE 99 CO 0.28 -0.25 0.03 -0.75 -2.81 0.00 0.00 174.94 171.44 2k8d s LYS 100 N -2.57 -0.01 -0.01 3.50 2.47 0.91 -4.36 119.74 119.68 2k8d s LYS 100 Ca 0.13 0.12 -0.03 0.00 -1.56 0.00 0.00 55.97 54.64 2k8d s LYS 100 Cb -0.07 -0.13 -0.00 0.00 -1.46 0.00 0.00 37.83 36.17 2k8d s LYS 100 CO 0.06 -0.09 0.06 -0.48 0.16 0.00 0.00 175.35 175.05 2k8d s LEU 101 N 0.60 1.84 -0.05 5.43 0.05 -1.26 -0.84 118.68 124.45 2k8d s LEU 101 Ca -0.05 -0.12 -0.01 0.00 0.05 0.00 0.00 54.13 54.01 2k8d s LEU 101 Cb -0.07 0.29 0.03 0.00 -2.05 0.00 0.00 46.19 44.39 2k8d s LEU 101 CO -0.02 -0.18 0.01 -0.13 -0.55 0.00 0.00 176.35 175.49 2k8d s ARG 102 N -0.69 0.36 0.32 1.48 3.00 -1.25 -4.93 118.95 117.24 2k8d s ARG 102 Ca -0.08 0.15 -0.18 0.00 0.00 0.00 0.00 55.73 55.62 2k8d s ARG 102 Cb -0.05 -0.69 -0.09 0.00 0.00 0.00 0.00 34.95 34.12 2k8d s ARG 102 CO 0.00 -0.24 0.79 -2.00 0.00 0.00 0.00 175.30 173.85 2k8d s GLU 103 N 1.63 4.14 0.30 3.54 -6.30 -1.26 -0.64 118.70 120.10 2k8d s GLU 103 Ca -0.01 0.84 -0.13 0.00 -2.50 0.00 0.00 54.97 53.17 2k8d s GLU 103 Cb -0.13 -2.51 0.01 0.00 0.00 0.00 0.00 34.13 31.51 2k8d s GLU 103 CO -0.03 0.18 0.58 0.34 0.02 0.00 0.00 175.26 176.35 2k8d s ASP 104 N -2.08 0.10 -0.21 -1.70 2.15 0.25 -4.95 116.67 110.23 2k8d s ASP 104 Ca 0.53 -1.03 0.12 0.00 0.43 0.00 0.00 52.55 52.60 2k8d s ASP 104 Cb -0.12 0.68 0.70 0.00 -0.30 0.00 0.00 42.92 43.88 2k8d s ASP 104 CO 0.18 -1.31 1.57 -2.11 -0.17 0.00 0.00 175.17 173.33 2k8d n ARG 105 N -0.46 4.30 -0.27 4.34 0.00 -1.26 0.02 116.66 123.33 2k8d n ARG 105 Ca -0.03 -2.69 0.06 0.00 -0.00 0.00 0.00 57.85 55.19 2k8d n ARG 105 Cb 0.61 -2.16 0.20 0.00 -0.00 0.00 0.00 32.46 31.11 2k8d n ARG 105 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 2k8d h SER 106 N 3.36 0.41 0.51 2.89 0.02 -1.82 0.13 113.55 119.04 2k8d h SER 106 Ca 0.01 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 2k8d h SER 106 Cb 1.79 0.04 0.00 0.00 0.14 0.00 0.00 62.40 64.37 2k8d h SER 106 CO 0.43 0.17 0.00 0.00 -1.14 0.00 0.00 176.83 176.29 2k8d n LEU 107 N -4.93 0.00 0.00 5.07 -0.00 -1.26 -4.83 117.00 111.05 2k8d n LEU 107 Ca 0.15 0.38 0.00 0.00 -0.00 0.00 0.00 56.01 56.54 2k8d n LEU 107 Cb 0.42 -0.38 0.00 0.00 -0.00 0.00 0.00 43.42 43.46 2k8d n LEU 107 CO 0.20 -0.13 0.00 0.61 -0.00 0.00 0.00 177.39 178.07 2k8d n GLY 108 N 0.46 0.78 0.00 1.47 0.00 0.43 -5.00 105.19 103.34 2k8d n GLY 108 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2k8d n GLY 108 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2k8d n MET 109 N -1.62 0.00 -3.60 1.61 2.81 -1.16 -5.09 117.12 110.08 2k8d n MET 109 Ca 0.00 0.00 -0.27 0.00 -1.81 0.00 0.00 57.70 55.62 2k8d n MET 109 Cb 0.00 0.00 -0.16 0.00 -0.71 0.00 0.00 33.22 32.35 2k8d n MET 109 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2k8d s VAL 110 N 0.84 -0.01 -0.29 2.03 1.01 -1.26 -4.31 120.40 118.40 2k8d s VAL 110 Ca 0.00 -0.42 -0.05 0.00 0.00 0.00 0.00 61.98 61.50 2k8d s VAL 110 Cb 0.00 -0.77 0.02 0.00 0.00 0.00 0.00 36.38 35.63 2k8d s VAL 110 CO 0.00 -0.44 0.05 -0.60 0.00 0.00 0.00 175.10 174.11 2k8d s ARG 111 N 2.09 2.91 -0.15 2.72 3.52 0.10 -4.05 118.95 126.10 2k8d s ARG 111 Ca 0.04 -0.97 0.02 0.00 -0.13 0.00 0.00 55.73 54.70 2k8d s ARG 111 Cb -0.16 -3.29 0.01 0.00 -1.56 0.00 0.00 34.95 29.95 2k8d s ARG 111 CO -0.19 -0.49 -0.21 0.00 -0.81 0.00 0.00 175.30 173.60 2k8d s GLU 113 N 0.88 0.80 -0.23 0.00 -1.05 0.19 -0.22 118.70 119.08 2k8d s GLU 113 Ca -0.05 1.30 -0.04 0.00 -0.15 0.00 0.00 54.97 56.03 2k8d s GLU 113 Cb -0.15 -1.72 0.07 0.00 -0.44 0.00 0.00 34.13 31.89 2k8d s GLU 113 CO -0.03 -2.70 0.08 0.08 0.95 0.00 0.00 175.26 173.64 2k8d s VAL 114 N -2.67 0.23 0.30 1.83 1.01 -0.07 -3.95 120.40 117.09 2k8d s VAL 114 Ca 0.66 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 62.08 2k8d s VAL 114 Cb -0.22 -0.96 -0.06 0.00 0.00 0.00 0.00 36.38 35.14 2k8d s VAL 114 CO 0.59 -0.42 0.05 -0.76 0.00 0.00 0.00 175.10 174.56 2k8d s LEU 115 N 1.97 2.12 0.28 3.92 1.02 -0.02 -1.17 118.68 126.81 2k8d s LEU 115 Ca 0.04 -1.34 -0.29 0.00 0.02 0.00 0.00 54.13 52.56 2k8d s LEU 115 Cb -0.17 -0.32 -0.10 0.00 0.02 0.00 0.00 46.19 45.63 2k8d s LEU 115 CO -0.18 -0.59 1.22 0.00 0.02 0.00 0.00 176.35 176.82 2k8d n ALA 117 N 1.31 1.44 -0.38 0.00 0.00 0.89 -4.11 120.51 119.66 2k8d n ALA 117 Ca 0.01 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2k8d n ALA 117 Cb 0.43 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.60 2k8d n ALA 117 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2k8d n ARG 118 N -1.96 0.00 0.00 0.00 3.00 -1.26 -4.95 116.66 111.49 2k8d n ARG 118 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.86 2k8d n ARG 118 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.60 2k8d n ARG 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2k8d n ASP 120 N 0.07 0.00 -4.69 0.00 8.00 -1.26 -4.92 116.55 113.76 2k8d n ASP 120 Ca 0.00 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.20 2k8d n ASP 120 Cb 0.09 -0.32 0.15 0.00 -0.02 0.00 0.00 41.12 41.03 2k8d n ASP 120 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k8d s ALA 121 N -0.45 1.29 0.10 2.24 0.00 -1.26 -4.78 121.76 118.90 2k8d s ALA 121 Ca 0.00 -0.03 -0.20 0.00 0.00 0.00 0.00 51.96 51.73 2k8d s ALA 121 Cb 0.00 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 2k8d s ALA 121 CO 0.00 -2.58 1.20 1.58 0.00 0.00 0.00 175.76 175.96 2k8d n HIS 122 N -4.04 -0.28 0.00 0.00 -0.00 -1.26 -4.25 115.22 105.39 2k8d n HIS 122 Ca 0.07 0.79 0.00 0.00 0.46 0.00 0.00 57.72 59.04 2k8d n HIS 122 Cb 0.55 -0.53 0.00 0.00 -0.12 0.00 0.00 29.99 29.89 2k8d n HIS 122 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 2k8d n LEU 123 N -4.48 0.00 0.00 0.27 4.77 -1.15 -4.78 117.00 111.63 2k8d n LEU 123 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2k8d n LEU 123 Cb 0.16 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 2k8d n LEU 123 CO -0.10 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.57 2k8d n GLY 124 N 0.00 0.15 3.71 -0.72 0.00 -0.32 -0.12 105.19 107.89 2k8d n GLY 124 Ca 0.00 0.43 -0.04 0.00 0.00 0.00 0.00 46.02 46.41 2k8d n GLY 124 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2k8d s HIS 125 N 2.34 -0.16 -0.04 1.61 -3.43 -0.30 -0.89 115.29 114.42 2k8d s HIS 125 Ca 0.00 -0.11 -0.01 0.00 -0.80 0.00 0.00 55.06 54.14 2k8d s HIS 125 Cb 0.00 0.62 -0.04 0.00 -1.43 0.00 0.00 32.58 31.73 2k8d s HIS 125 CO 0.00 -0.76 0.04 0.54 -2.00 0.00 0.00 174.74 172.56 2k8d s VAL 126 N -3.22 4.55 0.15 -5.38 0.11 0.69 -0.47 120.40 116.83 2k8d s VAL 126 Ca 0.11 -0.33 -0.02 0.00 -2.93 0.00 0.00 61.98 58.82 2k8d s VAL 126 Cb -0.01 -3.00 -0.04 0.00 -1.53 0.00 0.00 36.38 31.80 2k8d s VAL 126 CO 0.00 0.47 0.09 0.72 -3.33 0.00 0.00 175.10 173.06 2k8d s PHE 127 N -1.05 0.88 -1.06 1.54 -0.71 -0.71 -2.06 117.98 114.80 2k8d s PHE 127 Ca 0.18 -1.22 -0.16 0.00 -1.04 0.00 0.00 56.93 54.68 2k8d s PHE 127 Cb -0.12 -0.46 -0.08 0.00 -1.21 0.00 0.00 43.02 41.16 2k8d s PHE 127 CO 0.08 -0.56 2.12 -0.25 -1.34 0.00 0.00 175.22 175.27 2k8d n ASP 128 N -0.14 3.71 -1.00 1.98 9.92 -1.26 0.19 116.55 129.95 2k8d n ASP 128 Ca -0.04 -2.67 0.01 0.00 -0.53 0.00 0.00 54.79 51.56 2k8d n ASP 128 Cb 0.64 -1.31 0.00 0.00 -0.64 0.00 0.00 41.12 39.81 2k8d n ASP 128 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2k8d n ASP 129 N 6.33 0.39 -4.93 -2.24 2.03 -1.09 -4.92 116.55 112.11 2k8d n ASP 129 Ca 0.52 -1.94 -0.19 0.00 0.52 0.00 0.00 54.79 53.69 2k8d n ASP 129 Cb 0.35 -0.20 -0.02 0.00 -0.72 0.00 0.00 41.12 40.54 2k8d n ASP 129 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2k8d s GLY 130 N -1.40 1.85 0.85 0.27 0.00 -0.07 -4.60 107.32 104.23 2k8d s GLY 130 Ca 0.16 -1.66 -0.12 0.00 0.00 0.00 0.00 44.72 43.10 2k8d s GLY 130 CO -0.08 -1.53 1.12 2.56 0.00 0.00 0.00 173.10 175.17 2k8d s PRO 131 N -4.16 1.65 0.56 2.90 0.04 -1.26 -4.23 135.00 130.50 2k8d s PRO 131 Ca 0.47 0.41 -0.21 0.00 0.04 0.00 0.00 61.00 61.71 2k8d s PRO 131 Cb -0.07 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 2k8d s PRO 131 CO 0.30 -1.87 1.24 2.89 0.04 0.00 0.00 177.00 179.59 2k8d n ARG 132 N -3.56 1.40 0.06 4.56 1.85 -1.26 -0.49 116.66 119.22 2k8d n ARG 132 Ca 0.07 0.52 -0.11 0.00 -1.00 0.00 0.00 57.85 57.33 2k8d n ARG 132 Cb 0.58 -2.44 -0.08 0.00 -1.05 0.00 0.00 32.46 29.47 2k8d n ARG 132 CO 0.00 0.00 0.00 -1.00 -0.01 0.00 0.00 177.63 176.62 2k8d h PRO 133 N 1.09 -0.22 0.00 2.89 0.13 -2.00 -3.45 132.00 130.45 2k8d h PRO 133 Ca -0.50 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2k8d h PRO 133 Cb 1.33 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.51 2k8d h PRO 133 CO 0.55 0.20 0.00 -2.37 -0.23 0.00 0.00 178.00 176.15 2k8d n THR 134 N -4.94 0.47 -0.73 1.56 5.66 -1.22 -4.91 114.28 110.17 2k8d n THR 134 Ca -0.08 -0.17 0.00 0.00 -3.05 0.00 0.00 64.05 60.75 2k8d n THR 134 Cb 0.26 -0.61 0.00 0.00 -1.55 0.00 0.00 70.33 68.44 2k8d n THR 134 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2k8d n GLY 135 N 1.25 0.87 3.45 1.09 0.00 0.36 -4.96 105.19 107.25 2k8d n GLY 135 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 2k8d n GLY 135 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k8d s LYS 136 N -0.27 1.62 -0.33 1.61 -2.85 -1.26 -0.89 119.74 117.36 2k8d s LYS 136 Ca 0.00 -1.58 0.01 0.00 -1.00 0.00 0.00 55.97 53.40 2k8d s LYS 136 Cb 0.00 -1.85 0.10 0.00 -2.06 0.00 0.00 37.83 34.02 2k8d s LYS 136 CO 0.00 0.38 0.10 0.50 0.10 0.00 0.00 175.35 176.43 2k8d s ARG 137 N -2.96 1.01 -0.89 1.78 3.52 0.13 -3.81 118.95 117.73 2k8d s ARG 137 Ca 0.24 -1.42 -0.25 0.00 -0.13 0.00 0.00 55.73 54.17 2k8d s ARG 137 Cb -0.07 -2.40 0.01 0.00 -1.56 0.00 0.00 34.95 30.93 2k8d s ARG 137 CO 0.12 -0.99 1.63 0.71 -0.81 0.00 0.00 175.30 175.95 2k8d s TYR 138 N 1.26 2.16 0.02 5.12 1.51 0.99 -1.74 117.35 126.66 2k8d s TYR 138 Ca 0.11 -0.05 -0.15 0.00 -1.01 0.00 0.00 57.07 55.96 2k8d s TYR 138 Cb -0.19 -4.41 -0.06 0.00 -0.11 0.00 0.00 41.96 37.19 2k8d s TYR 138 CO -0.17 -1.95 0.44 0.00 -1.11 0.00 0.00 175.55 172.75 2k8d s MET 140 N -1.13 0.38 -0.09 0.00 0.00 -0.89 -1.16 119.30 116.42 2k8d s MET 140 Ca 0.25 -0.22 -0.03 0.00 0.00 0.00 0.00 55.69 55.68 2k8d s MET 140 Cb -0.17 0.16 0.05 0.00 0.00 0.00 0.00 34.83 34.87 2k8d s MET 140 CO 0.15 -0.08 0.15 1.21 0.00 0.00 0.00 175.02 176.45 2k8d s ASN 141 N -0.94 0.87 0.04 1.11 3.84 0.82 -4.75 114.94 115.92 2k8d s ASN 141 Ca -0.10 0.25 -0.13 0.00 0.21 0.00 0.00 52.86 53.09 2k8d s ASN 141 Cb -0.06 0.23 0.04 0.00 -0.55 0.00 0.00 41.25 40.92 2k8d s ASN 141 CO 0.01 -0.25 0.60 -1.54 -2.79 0.00 0.00 177.10 173.13 2k8d n SER 142 N 5.32 -0.76 0.32 -4.21 3.41 -1.26 -2.92 113.62 113.52 2k8d n SER 142 Ca -0.05 -1.30 0.20 0.00 -0.26 0.00 0.00 58.87 57.46 2k8d n SER 142 Cb 0.50 1.21 1.04 0.00 -0.26 0.00 0.00 64.21 66.69 2k8d n SER 142 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k8d h ALA 143 N 2.00 1.25 0.00 7.33 0.00 -1.86 -3.39 119.26 124.59 2k8d h ALA 143 Ca -0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2k8d h ALA 143 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2k8d h ALA 143 CO 0.17 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.29 2k8d n ALA 144 N -2.09 1.91 -2.26 0.00 0.00 -1.26 -4.34 120.51 112.47 2k8d n ALA 144 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.23 2k8d n ALA 144 Cb 0.19 -1.00 0.02 0.00 0.00 0.00 0.00 19.45 18.66 2k8d n ALA 144 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2k8d n LEU 145 N 0.53 4.12 -4.79 0.00 4.77 -1.26 -3.82 117.00 116.56 2k8d n LEU 145 Ca 0.00 -4.43 -0.36 0.00 -0.03 0.00 0.00 56.01 51.18 2k8d n LEU 145 Cb 0.20 -0.17 -0.06 0.00 -2.33 0.00 0.00 43.42 41.07 2k8d n LEU 145 CO 0.00 1.90 0.67 -0.75 -1.33 0.00 0.00 177.39 177.88 2k8d s LYS 146 N -3.62 4.44 0.31 3.23 2.20 -0.99 -4.94 119.74 120.37 2k8d s LYS 146 Ca 0.45 1.36 0.01 0.00 -0.36 0.00 0.00 55.97 57.43 2k8d s LYS 146 Cb 0.39 -2.67 -0.03 0.00 -1.51 0.00 0.00 37.83 34.01 2k8d s LYS 146 CO -0.00 0.14 0.51 -0.06 -0.36 0.00 0.00 175.35 175.57 2k8d s PHE 147 N -1.68 3.49 0.23 4.03 0.08 -1.26 -0.06 117.98 122.81 2k8d s PHE 147 Ca 0.53 0.31 0.00 0.00 0.12 0.00 0.00 56.93 57.90 2k8d s PHE 147 Cb -0.19 -1.85 -0.04 0.00 -0.57 0.00 0.00 43.02 40.37 2k8d s PHE 147 CO 0.24 0.20 0.14 0.96 -0.10 0.00 0.00 175.22 176.65 2k8d s ILE 148 N -2.21 0.14 1.04 0.64 -4.36 -0.17 -4.77 121.20 111.51 2k8d s ILE 148 Ca 0.39 -2.00 -0.21 0.00 -0.26 0.00 0.00 60.65 58.57 2k8d s ILE 148 Cb -0.10 -2.53 -0.04 0.00 1.25 0.00 0.00 42.46 41.04 2k8d s ILE 148 CO 0.34 0.00 -0.57 -0.81 0.24 0.00 0.00 174.94 174.14 2k8d n PRO 149 N -0.36 -0.67 0.00 0.37 -0.04 -1.26 -1.49 135.00 131.55 2k8d n PRO 149 Ca 0.02 -0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 2k8d n PRO 149 Cb 0.66 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 2k8d n PRO 149 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2k8d n ARG 150 N 0.12 0.00 0.00 0.54 3.00 -1.26 -3.27 116.66 115.79 2k8d n ARG 150 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 2k8d n ARG 150 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.11 2k8d n ARG 150 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2k8d n ASP 151 N -3.06 0.00 -0.86 0.55 -0.08 -1.26 -4.61 116.55 107.23 2k8d n ASP 151 Ca 0.00 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.32 2k8d n ASP 151 Cb 0.00 0.00 0.15 0.00 2.34 0.00 0.00 41.12 43.61 2k8d n ASP 151 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k8d n GLN 152 N 0.00 2.23 0.02 -0.67 1.13 -1.26 -4.54 117.38 114.29 2k8d n GLN 152 Ca 0.00 -1.20 0.11 0.00 -1.94 0.00 0.00 57.00 53.97 2k8d n GLN 152 Cb 0.00 -1.58 0.49 0.00 0.11 0.00 0.00 30.24 29.26 2k8d n GLN 152 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 2k8d n ILE 153 N 0.30 0.44 -0.44 5.09 -6.64 -1.26 -5.14 119.36 111.72 2k8d n ILE 153 Ca 0.11 0.07 0.00 0.00 -1.77 0.00 0.00 62.75 61.16 2k8d n ILE 153 Cb 0.48 -0.72 0.00 0.00 -1.44 0.00 0.00 39.64 37.97 2k8d n ILE 153 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39