#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 2.09 0.00 2.12 1.02 -1.26 -4.79 119.74 118.92 2k8d s LYS 5 Ca 0.00 0.23 0.00 0.00 0.02 0.00 0.00 55.97 56.22 2k8d s LYS 5 Cb 0.00 -4.86 0.00 0.00 -0.52 0.00 0.00 37.83 32.45 2k8d s LYS 5 CO 0.00 -3.83 0.00 -0.40 -0.92 0.00 0.00 175.35 170.20 2k8d n ASP 6 N 16.20 0.00 -4.86 2.83 5.68 -1.26 -5.15 116.55 129.99 2k8d n ASP 6 Ca 0.42 -0.18 -0.23 0.00 -0.50 0.00 0.00 54.79 54.30 2k8d n ASP 6 Cb 0.46 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.41 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 0.46 2.40 -0.31 0.11 0.52 -1.26 -3.60 118.95 117.26 2k8d s ARG 7 Ca 0.00 -1.72 0.03 0.00 -0.52 0.00 0.00 55.73 53.51 2k8d s ARG 7 Cb 0.00 -2.24 0.09 0.00 0.52 0.00 0.00 34.95 33.32 2k8d s ARG 7 CO 0.00 -0.32 0.02 0.96 0.02 0.00 0.00 175.30 175.99 2k8d s ILE 8 N -2.58 1.94 -0.66 1.52 -4.36 0.50 -4.82 121.20 112.73 2k8d s ILE 8 Ca 0.44 -1.95 -0.26 0.00 -0.26 0.00 0.00 60.65 58.61 2k8d s ILE 8 Cb -0.02 -2.35 -0.01 0.00 1.25 0.00 0.00 42.46 41.33 2k8d s ILE 8 CO 0.26 -0.48 1.73 -2.16 0.24 0.00 0.00 174.94 174.53 2k8d s PRO 9 N 1.11 2.76 -1.07 0.37 0.04 -1.26 -1.96 135.00 134.99 2k8d s PRO 9 Ca 0.06 0.36 -0.22 0.00 0.04 0.00 0.00 61.00 61.24 2k8d s PRO 9 Cb -0.19 -4.38 0.05 0.00 0.04 0.00 0.00 34.50 30.02 2k8d s PRO 9 CO -0.10 -2.63 1.51 0.42 0.04 0.00 0.00 177.00 176.24 2k8d s ILE 10 N 8.33 3.95 -0.79 0.56 1.01 0.58 -4.55 121.20 130.29 2k8d s ILE 10 Ca 0.60 -0.95 -0.26 0.00 0.00 0.00 0.00 60.65 60.04 2k8d s ILE 10 Cb -0.11 -5.07 0.02 0.00 0.01 0.00 0.00 42.46 37.31 2k8d s ILE 10 CO 0.18 -1.94 1.42 -0.36 0.00 0.00 0.00 174.94 174.24 2k8d s PHE 11 N 4.93 2.24 -0.80 3.97 0.40 -1.26 -0.41 117.98 127.06 2k8d s PHE 11 Ca 0.48 -0.09 -0.23 0.00 -0.60 0.00 0.00 56.93 56.49 2k8d s PHE 11 Cb 0.01 -4.55 -0.16 0.00 0.51 0.00 0.00 43.02 38.82 2k8d s PHE 11 CO -0.07 -2.06 1.90 0.43 0.70 0.00 0.00 175.22 176.12 2k8d n SER 12 N 9.90 2.51 -0.28 1.36 7.64 -0.05 -4.78 113.62 129.92 2k8d n SER 12 Ca 0.14 -2.67 0.07 0.00 1.01 0.00 0.00 58.87 57.42 2k8d n SER 12 Cb 0.50 -1.19 0.30 0.00 -1.01 0.00 0.00 64.21 62.80 2k8d n SER 12 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2k8d h VAL 13 N 4.85 0.98 0.00 0.44 2.07 -1.83 0.63 116.25 123.39 2k8d h VAL 13 Ca 0.37 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.58 2k8d h VAL 13 Cb 0.72 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2k8d h VAL 13 CO 1.82 0.16 0.00 0.00 0.02 0.00 0.00 177.57 179.57 2k8d n ALA 14 N -2.41 1.22 -0.28 1.67 0.00 -1.26 -0.83 120.51 118.63 2k8d n ALA 14 Ca 0.15 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.65 2k8d n ALA 14 Cb 0.29 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.55 2k8d n ALA 14 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2k8d n LYS 15 N -1.84 1.34 -3.49 0.00 4.81 0.02 -5.01 118.16 113.98 2k8d n LYS 15 Ca 0.00 -0.98 -0.19 0.00 -0.87 0.00 0.00 58.31 56.28 2k8d n LYS 15 Cb 0.07 -0.86 -0.06 0.00 0.02 0.00 0.00 35.03 34.21 2k8d n LYS 15 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2k8d n ASN 16 N -0.26 0.28 -4.91 3.14 5.15 -0.01 -4.99 115.26 113.67 2k8d n ASN 16 Ca 0.00 -0.73 -0.27 0.00 -0.60 0.00 0.00 54.58 52.98 2k8d n ASN 16 Cb 0.25 -0.91 -0.02 0.00 -0.53 0.00 0.00 39.78 38.58 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 -5.34 3.58 -0.36 1.20 1.81 -0.52 -4.94 118.95 114.38 2k8d s ARG 17 Ca 0.08 0.05 0.03 0.00 -1.72 0.00 0.00 55.73 54.17 2k8d s ARG 17 Cb -0.05 -2.52 0.15 0.00 -0.45 0.00 0.00 34.95 32.09 2k8d s ARG 17 CO 0.57 0.01 0.38 0.08 -0.68 0.00 0.00 175.30 175.67 2k8d s VAL 18 N -2.42 -0.39 -0.50 3.52 1.01 -1.24 -0.87 120.40 119.52 2k8d s VAL 18 Ca 0.45 -0.85 -0.15 0.00 0.00 0.00 0.00 61.98 61.43 2k8d s VAL 18 Cb -0.10 -0.70 0.10 0.00 0.00 0.00 0.00 36.38 35.68 2k8d s VAL 18 CO 0.37 -0.53 0.43 -1.61 0.00 0.00 0.00 175.10 173.76 2k8d s GLU 19 N 1.62 2.95 -1.09 2.72 0.41 0.46 -4.86 118.70 120.91 2k8d s GLU 19 Ca 0.16 -1.51 -0.22 0.00 -0.41 0.00 0.00 54.97 52.99 2k8d s GLU 19 Cb -0.14 -4.18 0.06 0.00 -1.78 0.00 0.00 34.13 28.08 2k8d s GLU 19 CO -0.09 -1.15 1.52 1.41 -0.49 0.00 0.00 175.26 176.47 2k8d s MET 20 N 1.61 3.69 0.81 1.61 1.75 -1.26 -0.31 119.30 127.21 2k8d s MET 20 Ca 0.04 -1.35 -0.09 0.00 -1.25 0.00 0.00 55.69 53.03 2k8d s MET 20 Cb -0.27 -5.40 0.13 0.00 2.84 0.00 0.00 34.83 32.13 2k8d s MET 20 CO 0.05 -2.22 1.14 0.08 -0.65 0.00 0.00 175.02 173.41 2k8d s VAL 21 N 4.77 2.12 0.17 10.11 1.01 -0.83 -4.84 120.40 132.91 2k8d s VAL 21 Ca 0.48 -0.22 0.05 0.00 0.00 0.00 0.00 61.98 62.29 2k8d s VAL 21 Cb 0.01 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 2k8d s VAL 21 CO -0.05 0.00 0.14 -1.61 0.00 0.00 0.00 175.10 173.57 2k8d s GLU 22 N -5.49 2.90 0.62 2.72 2.02 -1.26 -0.37 118.70 119.84 2k8d s GLU 22 Ca 0.67 -0.88 -0.18 0.00 0.02 0.00 0.00 54.97 54.59 2k8d s GLU 22 Cb -0.07 -2.64 -0.02 0.00 0.10 0.00 0.00 34.13 31.50 2k8d s GLU 22 CO 0.48 0.48 1.25 0.50 0.02 0.00 0.00 175.26 177.99 2k8d s ARG 23 N -3.14 2.74 -0.24 1.61 3.00 -1.24 -4.75 118.95 116.93 2k8d s ARG 23 Ca 0.31 1.96 -0.29 0.00 -1.00 0.00 0.00 55.73 56.71 2k8d s ARG 23 Cb -0.10 -1.88 -0.02 0.00 0.00 0.00 0.00 34.95 32.94 2k8d s ARG 23 CO 0.23 -1.42 1.66 -1.50 0.00 0.00 0.00 175.30 174.27 2k8d s ILE 24 N -1.49 3.64 -0.23 4.11 -1.16 -1.26 -4.93 121.20 119.89 2k8d s ILE 24 Ca 0.80 0.70 -0.04 0.00 -0.51 0.00 0.00 60.65 61.60 2k8d s ILE 24 Cb -0.34 -3.69 0.08 0.00 0.61 0.00 0.00 42.46 39.11 2k8d s ILE 24 CO 0.37 -0.32 0.11 -1.61 -2.81 0.00 0.00 174.94 170.67 2k8d s GLU 25 N 4.89 0.14 0.30 3.50 2.02 -1.26 -5.05 118.70 123.24 2k8d s GLU 25 Ca 0.73 -0.30 0.02 0.00 0.02 0.00 0.00 54.97 55.45 2k8d s GLU 25 Cb -0.24 -1.53 -0.05 0.00 0.10 0.00 0.00 34.13 32.41 2k8d s GLU 25 CO 0.31 -0.83 0.11 -0.51 0.02 0.00 0.00 175.26 174.35 2k8d s LEU 26 N 2.11 1.78 0.62 1.80 1.43 -1.26 -5.16 118.68 120.00 2k8d s LEU 26 Ca 0.05 -1.45 -0.07 0.00 -1.03 0.00 0.00 54.13 51.63 2k8d s LEU 26 Cb -0.16 -0.02 0.02 0.00 0.03 0.00 0.00 46.19 46.05 2k8d s LEU 26 CO -0.22 -0.77 0.94 -0.55 0.23 0.00 0.00 176.35 175.99 2k8d s SER 27 N -3.39 5.48 0.30 2.29 0.15 -1.26 -5.00 113.70 112.27 2k8d s SER 27 Ca 0.36 0.74 0.01 0.00 0.70 0.00 0.00 55.95 57.75 2k8d s SER 27 Cb 0.07 -1.66 0.52 0.00 -1.71 0.00 0.00 66.02 63.24 2k8d s SER 27 CO 0.15 -1.17 1.90 -0.78 1.20 0.00 0.00 173.24 174.55 2k8d h ASP 28 N -0.29 0.92 -0.00 5.45 1.82 -2.02 -2.93 116.42 119.36 2k8d h ASP 28 Ca -0.45 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.20 2k8d h ASP 28 Cb 1.26 -0.19 -0.00 0.00 0.68 0.00 0.00 39.33 41.09 2k8d h ASP 28 CO 0.61 0.58 0.00 0.44 -1.61 0.00 0.00 179.24 179.26 2k8d h ASP 29 N 1.04 0.00 -0.26 2.28 3.32 -2.04 -1.70 116.42 119.05 2k8d h ASP 29 Ca 0.40 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.39 2k8d h ASP 29 Cb 0.22 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 2k8d h ASP 29 CO -0.16 0.00 -0.07 -0.33 -1.72 0.00 0.00 179.24 176.96 2k8d h GLU 30 N 0.00 0.51 -0.01 3.56 4.39 -1.92 -3.29 114.58 117.83 2k8d h GLU 30 Ca 0.00 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.50 2k8d h GLU 30 Cb 0.01 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 2k8d h GLU 30 CO -0.00 0.73 0.00 0.91 -1.16 0.00 0.00 179.01 179.49 2k8d n TRP 31 N -4.52 0.00 -0.23 4.33 7.02 -0.64 -0.90 117.44 122.50 2k8d n TRP 31 Ca -0.04 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.44 2k8d n TRP 31 Cb 0.31 -0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.20 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 -0.41 1.68 0.00 -0.99 0.00 -1.24 -4.43 116.66 111.27 2k8d n ARG 32 Ca 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 57.85 57.75 2k8d n ARG 32 Cb 0.00 -0.44 0.00 0.00 -0.00 0.00 0.00 32.46 32.02 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 -0.27 2.75 -0.13 2.89 0.28 -0.08 -4.63 120.64 121.46 2k8d n GLU 33 Ca 0.00 0.00 0.09 0.00 -0.16 0.00 0.00 57.16 57.09 2k8d n GLU 33 Cb 0.06 -0.73 0.15 0.00 1.43 0.00 0.00 31.44 32.35 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 -0.82 0.44 -4.27 3.84 -5.35 -0.29 -5.00 119.36 107.91 2k8d n ILE 34 Ca 0.00 -0.72 -0.23 0.00 -0.27 0.00 0.00 62.75 61.53 2k8d n ILE 34 Cb 0.00 0.99 -0.07 0.00 -1.74 0.00 0.00 39.64 38.82 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 -1.28 3.25 0.52 7.28 1.43 -1.26 -5.02 118.68 123.60 2k8d s LEU 35 Ca 0.28 -0.63 -0.22 0.00 -1.03 0.00 0.00 54.13 52.53 2k8d s LEU 35 Cb 0.17 -1.76 -0.06 0.00 0.03 0.00 0.00 46.19 44.56 2k8d s LEU 35 CO 0.24 -0.03 1.29 0.47 0.23 0.00 0.00 176.35 178.55 2k8d n ASP 36 N -0.94 2.45 0.00 2.29 9.92 -1.26 -4.83 116.55 124.19 2k8d n ASP 36 Ca -0.06 1.00 0.06 0.00 -0.53 0.00 0.00 54.79 55.25 2k8d n ASP 36 Cb 0.59 -1.54 0.31 0.00 -0.64 0.00 0.00 41.12 39.84 2k8d n ASP 36 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2k8d n PRO 37 N -0.69 0.21 -0.01 -0.24 -0.04 -1.26 -1.42 135.00 131.54 2k8d n PRO 37 Ca 0.10 0.14 -0.06 0.00 -0.04 0.00 0.00 63.50 63.63 2k8d n PRO 37 Cb 0.43 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.34 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 -0.09 -0.82 0.54 4.81 -2.00 -3.29 114.58 113.73 2k8d h GLU 38 Ca 0.00 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.34 2k8d h GLU 38 Cb 0.09 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 29.41 2k8d h GLU 38 CO 0.00 0.26 0.46 0.00 -0.73 0.00 0.00 179.01 179.00 2k8d h ALA 39 N -0.63 1.18 -0.35 2.92 0.00 -1.56 0.23 119.26 121.04 2k8d h ALA 39 Ca -0.01 0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.97 2k8d h ALA 39 Cb 0.39 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2k8d h ALA 39 CO 0.02 0.07 0.17 0.35 0.00 0.00 0.00 179.25 179.85 2k8d h PHE 40 N 0.76 0.31 -0.01 0.00 3.57 -1.53 0.06 116.94 120.10 2k8d h PHE 40 Ca 0.40 0.02 -0.25 0.00 3.53 0.00 0.00 57.97 61.67 2k8d h PHE 40 Cb 0.40 -0.09 0.02 0.00 2.79 0.00 0.00 35.95 39.07 2k8d h PHE 40 CO -0.07 0.16 -1.00 0.07 -2.23 0.00 0.00 178.31 175.24 2k8d h ARG 41 N 0.35 0.64 -0.43 1.11 0.11 -1.46 -3.21 114.38 111.48 2k8d h ARG 41 Ca 0.15 -0.67 0.12 0.00 0.10 0.00 0.00 59.98 59.69 2k8d h ARG 41 Cb 0.07 0.19 -0.02 0.00 1.11 0.00 0.00 29.97 31.32 2k8d h ARG 41 CO -0.11 1.27 0.34 0.28 0.10 0.00 0.00 179.97 181.84 2k8d h VAL 42 N 0.37 0.65 0.00 0.08 2.07 -0.18 0.20 116.25 119.43 2k8d h VAL 42 Ca -0.11 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 2k8d h VAL 42 Cb 1.64 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 32.17 2k8d h VAL 42 CO 0.19 0.00 -0.01 0.00 0.02 0.00 0.00 177.57 177.78 2k8d h ALA 43 N 1.72 1.05 0.00 1.67 0.00 -0.99 -0.74 119.26 121.97 2k8d h ALA 43 Ca 0.20 -0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.70 2k8d h ALA 43 Cb 0.88 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.61 2k8d h ALA 43 CO -0.00 0.01 -2.42 2.89 0.00 0.00 0.00 179.25 179.72 2k8d n ARG 44 N -3.16 0.58 -0.26 0.00 1.85 0.65 -4.60 116.66 111.72 2k8d n ARG 44 Ca -0.02 0.19 0.05 0.00 -1.00 0.00 0.00 57.85 57.07 2k8d n ARG 44 Cb 0.12 -1.46 0.17 0.00 -1.05 0.00 0.00 32.46 30.25 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 -3.70 2.14 -3.77 2.89 2.85 -0.93 -4.92 118.16 112.73 2k8d n LYS 45 Ca -0.47 -1.40 -0.28 0.00 -1.05 0.00 0.00 58.31 55.11 2k8d n LYS 45 Cb 0.91 -1.44 -0.04 0.00 -0.65 0.00 0.00 35.03 33.81 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 0.52 -1.13 -1.37 0.58 0.00 -0.29 -2.13 120.51 116.69 2k8d n ALA 46 Ca 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2k8d n ALA 46 Cb 0.42 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.57 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 -1.02 0.83 2.65 0.00 0.00 -1.16 -4.10 105.19 102.40 2k8d n GLY 47 Ca 0.05 -0.64 -0.23 0.00 0.00 0.00 0.00 46.02 45.20 2k8d n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k8d s THR 48 N -2.00 -0.21 0.95 2.61 2.01 -0.91 -4.90 115.64 113.19 2k8d s THR 48 Ca 0.00 -0.48 -0.12 0.00 0.31 0.00 0.00 61.69 61.40 2k8d s THR 48 Cb 0.00 -0.87 0.16 0.00 0.01 0.00 0.00 72.50 71.80 2k8d s THR 48 CO 0.00 -0.50 1.11 -1.61 -0.69 0.00 0.00 174.62 172.93 2k8d s GLU 49 N 2.22 0.81 0.82 4.92 2.02 -1.26 -4.87 118.70 123.36 2k8d s GLU 49 Ca 0.08 0.45 -0.12 0.00 0.02 0.00 0.00 54.97 55.39 2k8d s GLU 49 Cb -0.15 -1.79 0.09 0.00 0.10 0.00 0.00 34.13 32.38 2k8d s GLU 49 CO -0.27 -2.45 1.18 -1.25 0.02 0.00 0.00 175.26 172.48 2k8d s PRO 50 N -5.09 1.63 0.86 0.39 0.04 -1.26 -5.01 135.00 126.55 2k8d s PRO 50 Ca 0.64 1.64 -0.11 0.00 0.04 0.00 0.00 61.00 63.21 2k8d s PRO 50 Cb -0.17 -1.79 0.10 0.00 0.04 0.00 0.00 34.50 32.69 2k8d s PRO 50 CO 0.56 -2.20 1.09 -1.25 0.04 0.00 0.00 177.00 175.25 2k8d s PRO 51 N -4.30 1.60 0.23 0.56 0.04 -1.26 -5.09 135.00 126.78 2k8d s PRO 51 Ca 0.70 0.76 -0.06 0.00 0.04 0.00 0.00 61.00 62.44 2k8d s PRO 51 Cb -0.26 -1.85 -0.02 0.00 0.04 0.00 0.00 34.50 32.41 2k8d s PRO 51 CO 0.52 -1.99 0.31 -0.59 0.04 0.00 0.00 177.00 175.29 2k8d s PHE 52 N -3.02 0.80 -0.87 0.56 -0.12 -1.26 -5.09 117.98 108.98 2k8d s PHE 52 Ca 0.62 -1.08 -0.25 0.00 -0.05 0.00 0.00 56.93 56.18 2k8d s PHE 52 Cb -0.17 -0.19 -0.03 0.00 -0.63 0.00 0.00 43.02 42.00 2k8d s PHE 52 CO 0.56 -0.83 1.87 0.99 -0.05 0.00 0.00 175.22 177.76 2k8d s THR 53 N -4.03 3.49 0.80 -4.49 2.01 -1.26 -4.99 115.64 107.17 2k8d s THR 53 Ca 0.31 -0.31 -0.11 0.00 0.31 0.00 0.00 61.69 61.89 2k8d s THR 53 Cb 0.03 -4.12 0.07 0.00 0.01 0.00 0.00 72.50 68.49 2k8d s THR 53 CO 0.11 -1.06 1.13 -0.83 -0.69 0.00 0.00 174.62 173.28 2k8d s GLY 54 N 7.64 1.83 0.08 4.40 0.00 -1.26 -4.97 107.32 115.04 2k8d s GLY 54 Ca 0.66 0.48 0.00 0.00 0.00 0.00 0.00 44.72 45.87 2k8d s GLY 54 CO 0.02 0.86 0.00 1.17 0.00 0.00 0.00 173.10 175.15 2k8d n LYS 55 N -3.50 0.00 -1.74 2.90 3.00 -1.26 -5.11 118.16 112.45 2k8d n LYS 55 Ca 0.11 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 58.00 2k8d n LYS 55 Cb 0.52 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.55 2k8d n LYS 55 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2k8d n TYR 56 N -2.67 2.64 -3.86 5.64 4.01 -1.26 -5.01 117.16 116.65 2k8d n TYR 56 Ca 0.00 0.50 -0.07 0.00 -0.16 0.00 0.00 57.90 58.16 2k8d n TYR 56 Cb 0.00 -2.48 -0.01 0.00 -0.31 0.00 0.00 39.34 36.54 2k8d n TYR 56 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 2k8d s HIS 57 N -1.09 -0.11 0.14 -0.72 -3.43 -1.26 -5.20 115.29 103.62 2k8d s HIS 57 Ca 0.54 -0.38 -0.01 0.00 -0.80 0.00 0.00 55.06 54.41 2k8d s HIS 57 Cb -0.52 0.71 0.00 0.00 -1.43 0.00 0.00 32.58 31.34 2k8d s HIS 57 CO 0.63 -1.29 0.20 -3.47 -2.00 0.00 0.00 174.74 168.81 2k8d n ASP 58 N -0.63 -0.55 -0.87 7.38 -0.08 -1.26 -5.08 116.55 115.45 2k8d n ASP 58 Ca -0.05 -1.75 0.05 0.00 -1.51 0.00 0.00 54.79 51.53 2k8d n ASP 58 Cb 0.59 1.03 0.09 0.00 2.34 0.00 0.00 41.12 45.17 2k8d n ASP 58 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2k8d n LEU 59 N 0.00 1.57 -4.46 -2.67 4.32 -1.26 -5.06 117.00 109.44 2k8d n LEU 59 Ca 0.00 -2.61 -0.22 0.00 -0.02 0.00 0.00 56.01 53.16 2k8d n LEU 59 Cb 0.23 -0.23 -0.10 0.00 -1.62 0.00 0.00 43.42 41.71 2k8d n LEU 59 CO 0.12 0.78 -0.25 -1.00 -1.22 0.00 0.00 177.39 175.82 2k8d s HIS 60 N -1.42 1.90 0.00 -1.77 3.76 -1.26 -5.05 115.29 111.46 2k8d s HIS 60 Ca 0.30 -1.03 0.00 0.00 -0.15 0.00 0.00 55.06 54.17 2k8d s HIS 60 Cb 0.31 -1.25 0.00 0.00 1.11 0.00 0.00 32.58 32.75 2k8d s HIS 60 CO -0.09 -0.07 1.23 -0.40 -0.85 0.00 0.00 174.74 174.57 2k8d n ASP 61 N -0.81 3.39 -4.77 1.40 5.75 -1.26 -4.93 116.55 115.31 2k8d n ASP 61 Ca -0.03 -1.86 -0.38 0.00 -0.01 0.00 0.00 54.79 52.51 2k8d n ASP 61 Cb 0.66 -0.68 -0.04 0.00 -1.03 0.00 0.00 41.12 40.03 2k8d n ASP 61 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2k8d s ASP 62 N 1.66 7.06 0.00 -1.12 2.15 -1.26 -4.54 116.67 120.61 2k8d s ASP 62 Ca 0.00 2.10 0.00 0.00 0.43 0.00 0.00 52.55 55.08 2k8d s ASP 62 Cb 0.00 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 40.02 2k8d s ASP 62 CO 0.00 -0.28 0.00 0.61 -0.17 0.00 0.00 175.17 175.33 2k8d n GLY 63 N 0.75 2.29 3.25 2.66 0.00 -1.26 -4.91 105.19 107.97 2k8d n GLY 63 Ca 0.02 -1.77 -0.14 0.00 0.00 0.00 0.00 46.02 44.13 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 -2.18 0.97 0.24 -0.61 -4.36 -0.11 -3.22 121.20 111.92 2k8d s ILE 64 Ca 0.00 -2.02 -0.25 0.00 -0.26 0.00 0.00 60.65 58.12 2k8d s ILE 64 Cb 0.00 -1.97 -0.09 0.00 1.25 0.00 0.00 42.46 41.65 2k8d s ILE 64 CO 0.00 -0.63 0.84 -0.31 0.24 0.00 0.00 174.94 175.07 2k8d s TYR 65 N -3.46 3.79 -0.04 1.37 2.02 0.60 -0.52 117.35 121.11 2k8d s TYR 65 Ca 0.20 1.66 0.04 0.00 -0.37 0.00 0.00 57.07 58.60 2k8d s TYR 65 Cb 0.04 -2.81 -0.03 0.00 -0.40 0.00 0.00 41.96 38.77 2k8d s TYR 65 CO 0.02 0.37 -0.16 -0.98 -1.57 0.00 0.00 175.55 173.23 2k8d s ARG 66 N -1.64 2.44 -1.07 -0.62 1.70 0.90 -0.70 118.95 119.95 2k8d s ARG 66 Ca 0.43 -0.73 -0.23 0.00 -0.47 0.00 0.00 55.73 54.72 2k8d s ARG 66 Cb -0.20 -2.33 -0.06 0.00 -0.57 0.00 0.00 34.95 31.78 2k8d s ARG 66 CO 0.25 0.61 1.91 0.00 -1.08 0.00 0.00 175.30 177.00 2k8d n ILE 68 N 7.74 1.31 1.85 0.00 0.13 -1.26 -0.21 119.36 128.92 2k8d n ILE 68 Ca 0.43 0.67 0.12 0.00 -1.10 0.00 0.00 62.75 62.87 2k8d n ILE 68 Cb 0.47 -1.67 0.71 0.00 -0.84 0.00 0.00 39.64 38.31 2k8d n ILE 68 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2k8d n GLY 71 N 0.00 -0.22 2.87 0.00 0.00 0.71 -4.97 105.19 103.59 2k8d n GLY 71 Ca 0.00 0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.08 -0.03 0.10 2.61 2.01 -1.18 -5.02 115.64 111.05 2k8d s THR 72 Ca 0.10 0.10 0.01 0.00 0.31 0.00 0.00 61.69 62.21 2k8d s THR 72 Cb -0.01 -0.10 -0.04 0.00 0.01 0.00 0.00 72.50 72.36 2k8d s THR 72 CO 0.28 0.04 0.24 1.51 -0.69 0.00 0.00 174.62 176.01 2k8d s ASP 73 N 0.54 6.33 0.00 3.53 -4.77 -1.26 0.09 116.67 121.13 2k8d s ASP 73 Ca -0.04 0.22 0.00 0.00 -3.30 0.00 0.00 52.55 49.42 2k8d s ASP 73 Cb -0.06 -1.93 0.00 0.00 -1.09 0.00 0.00 42.92 39.84 2k8d s ASP 73 CO -0.02 0.11 0.00 0.00 0.70 0.00 0.00 175.17 175.97 2k8d n LEU 74 N -0.10 0.00 -4.69 2.11 -0.00 0.12 -4.83 117.00 109.61 2k8d n LEU 74 Ca -0.06 0.00 -0.54 0.00 -0.00 0.00 0.00 56.01 55.41 2k8d n LEU 74 Cb 0.52 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.88 2k8d n LEU 74 CO 0.50 0.00 1.32 0.49 -0.00 0.00 0.00 177.39 179.71 2k8d n PHE 75 N 0.00 2.09 -2.79 1.47 3.72 -1.25 -4.46 117.46 116.24 2k8d n PHE 75 Ca 0.00 0.37 -0.29 0.00 -0.05 0.00 0.00 57.45 57.48 2k8d n PHE 75 Cb 0.00 -2.51 -0.02 0.00 -0.94 0.00 0.00 39.48 36.01 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 3.24 6.41 0.52 4.37 2.15 -1.26 -0.29 116.67 131.81 2k8d s ASP 76 Ca 0.94 1.03 0.29 0.00 0.43 0.00 0.00 52.55 55.24 2k8d s ASP 76 Cb -0.93 -2.28 1.59 0.00 -0.30 0.00 0.00 42.92 41.00 2k8d s ASP 76 CO 0.58 -0.46 1.88 -1.28 -0.17 0.00 0.00 175.17 175.72 2k8d h SER 77 N 0.87 0.00 0.23 -0.34 0.87 -1.79 0.80 113.55 114.20 2k8d h SER 77 Ca -0.47 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.06 2k8d h SER 77 Cb 1.19 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2k8d h SER 77 CO 0.63 0.00 -0.12 1.05 -0.53 0.00 0.00 176.83 177.86 2k8d h GLU 78 N 0.00 0.00 0.03 2.24 4.11 -1.91 -3.07 114.58 115.99 2k8d h GLU 78 Ca 0.00 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.12 2k8d h GLU 78 Cb 0.28 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 2k8d h GLU 78 CO 0.00 0.12 -1.70 0.25 0.07 0.00 0.00 179.01 177.76 2k8d n THR 79 N -3.95 1.59 -2.53 -1.06 -2.24 0.17 -4.96 114.28 101.29 2k8d n THR 79 Ca -0.02 -0.26 -0.43 0.00 -2.27 0.00 0.00 64.05 61.07 2k8d n THR 79 Cb 0.21 -1.91 -0.02 0.00 -2.10 0.00 0.00 70.33 66.51 2k8d n THR 79 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2k8d s LYS 80 N -2.44 3.82 0.47 -0.78 2.36 -0.55 -4.43 119.74 118.19 2k8d s LYS 80 Ca -0.29 0.88 -0.22 0.00 -2.55 0.00 0.00 55.97 53.79 2k8d s LYS 80 Cb 0.08 -3.88 -0.09 0.00 -1.05 0.00 0.00 37.83 32.88 2k8d s LYS 80 CO 0.62 -1.25 0.93 1.19 1.55 0.00 0.00 175.35 178.39 2k8d n PHE 81 N 7.73 0.83 0.01 4.03 3.01 -1.26 -4.75 117.46 127.06 2k8d n PHE 81 Ca 0.13 0.52 0.00 0.00 1.01 0.00 0.00 57.45 59.11 2k8d n PHE 81 Cb 0.48 -2.17 0.00 0.00 -0.01 0.00 0.00 39.48 37.78 2k8d n PHE 81 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2k8d n ASP 82 N 0.27 -0.01 -4.66 4.37 2.03 -1.26 -4.41 116.55 112.88 2k8d n ASP 82 Ca 0.11 0.02 -0.43 0.00 0.52 0.00 0.00 54.79 55.01 2k8d n ASP 82 Cb 0.42 0.05 -0.02 0.00 -0.72 0.00 0.00 41.12 40.84 2k8d n ASP 82 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2k8d s SER 83 N -3.90 6.88 0.00 1.67 0.01 -1.26 -1.71 113.70 115.39 2k8d s SER 83 Ca 0.00 1.84 0.00 0.00 1.31 0.00 0.00 55.95 59.10 2k8d s SER 83 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 2k8d s SER 83 CO 0.00 -0.79 0.00 0.61 0.41 0.00 0.00 173.24 173.47 2k8d n GLY 84 N 3.72 1.65 2.83 3.44 0.00 -1.26 -4.60 105.19 110.97 2k8d n GLY 84 Ca 0.14 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 2k8d n GLY 84 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k8d n THR 85 N 0.00 1.70 0.51 2.61 -1.04 -1.23 -4.95 114.28 111.88 2k8d n THR 85 Ca 0.00 -4.90 0.00 0.00 -2.04 0.00 0.00 64.05 57.11 2k8d n THR 85 Cb 0.00 -2.17 0.00 0.00 -1.82 0.00 0.00 70.33 66.34 2k8d n THR 85 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k8d n GLY 86 N 1.81 1.92 3.70 3.41 0.00 -0.69 -4.18 105.19 111.16 2k8d n GLY 86 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 2k8d n GLY 86 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2k8d n TRP 87 N 0.84 1.55 -1.24 1.61 4.27 -1.26 -4.68 117.44 118.52 2k8d n TRP 87 Ca 0.00 0.41 -0.37 0.00 -3.89 0.00 0.00 57.50 53.65 2k8d n TRP 87 Cb 0.44 -2.19 -0.03 0.00 -1.36 0.00 0.00 31.31 28.18 2k8d n TRP 87 CO 0.00 0.00 0.00 -0.35 -2.29 0.00 0.00 177.69 175.05 2k8d n PRO 88 N -2.43 3.50 -3.83 -2.67 -0.04 -1.26 -4.50 135.00 123.76 2k8d n PRO 88 Ca 0.15 -2.11 -0.12 0.00 -0.04 0.00 0.00 63.50 61.38 2k8d n PRO 88 Cb 0.49 -2.76 -0.11 0.00 -0.04 0.00 0.00 33.50 31.08 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 2.33 -0.09 0.32 3.54 1.04 -1.26 -1.61 113.70 117.98 2k8d s SER 89 Ca 0.66 0.06 -0.11 0.00 0.48 0.00 0.00 55.95 57.05 2k8d s SER 89 Cb 0.17 0.30 0.02 0.00 0.10 0.00 0.00 66.02 66.60 2k8d s SER 89 CO -0.06 -0.26 0.59 0.72 0.98 0.00 0.00 173.24 175.22 2k8d s PHE 90 N -0.78 0.48 -0.29 5.02 -0.12 0.55 -4.35 117.98 118.49 2k8d s PHE 90 Ca -0.09 -0.90 0.08 0.00 -0.05 0.00 0.00 56.93 55.98 2k8d s PHE 90 Cb -0.05 0.34 -0.10 0.00 -0.63 0.00 0.00 43.02 42.57 2k8d s PHE 90 CO 0.01 -1.24 0.31 2.48 -0.05 0.00 0.00 175.22 176.74 2k8d n TYR 91 N -0.50 0.00 -3.66 3.49 4.11 -1.26 -0.17 117.16 119.18 2k8d n TYR 91 Ca -0.03 0.00 -0.07 0.00 -0.00 0.00 0.00 57.90 57.80 2k8d n TYR 91 Cb 0.61 -0.06 -0.00 0.00 -0.00 0.00 0.00 39.34 39.89 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 -1.37 -1.11 -4.09 9.48 -0.08 -1.26 -4.58 116.55 113.54 2k8d n ASP 92 Ca 0.01 -2.05 -0.11 0.00 -1.51 0.00 0.00 54.79 51.13 2k8d n ASP 92 Cb 0.16 1.93 -0.11 0.00 2.34 0.00 0.00 41.12 45.44 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 -2.56 0.51 0.42 5.18 1.01 -1.26 -4.85 120.40 118.85 2k8d s VAL 93 Ca 0.13 -1.42 0.10 0.00 0.00 0.00 0.00 61.98 60.79 2k8d s VAL 93 Cb -0.02 -1.02 0.21 0.00 0.00 0.00 0.00 36.38 35.55 2k8d s VAL 93 CO 0.10 -0.62 2.00 1.62 0.00 0.00 0.00 175.10 178.20 2k8d h VAL 94 N 3.86 1.12 0.00 2.92 3.04 -1.93 -3.48 116.25 121.79 2k8d h VAL 94 Ca -0.35 -0.45 0.00 0.00 -1.01 0.00 0.00 66.70 64.89 2k8d h VAL 94 Cb 1.18 0.95 0.00 0.00 -2.01 0.00 0.00 31.29 31.41 2k8d h VAL 94 CO 0.51 0.15 0.00 -1.20 -1.01 0.00 0.00 177.57 176.03 2k8d n SER 95 N -4.39 0.00 -4.01 3.17 7.64 -1.26 -4.66 113.62 110.11 2k8d n SER 95 Ca 0.00 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.50 2k8d n SER 95 Cb 0.17 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.33 2k8d n SER 95 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k8d n GLU 96 N -1.35 3.21 0.00 1.43 1.02 -1.26 -4.68 120.64 119.01 2k8d n GLU 96 Ca 0.00 -4.53 0.00 0.00 -0.02 0.00 0.00 57.16 52.61 2k8d n GLU 96 Cb 0.00 -2.43 0.00 0.00 -0.02 0.00 0.00 31.44 28.99 2k8d n GLU 96 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 2k8d n HIS 97 N 1.87 0.00 -0.74 -0.32 1.44 -1.26 -4.73 115.22 111.48 2k8d n HIS 97 Ca 0.24 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 56.02 2k8d n HIS 97 Cb 0.37 0.00 0.09 0.00 0.12 0.00 0.00 29.99 30.57 2k8d n HIS 97 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 2k8d n ASN 98 N -1.01 2.15 -4.10 4.39 5.03 -1.26 -4.54 115.26 115.93 2k8d n ASN 98 Ca 0.00 -2.68 -0.18 0.00 0.87 0.00 0.00 54.58 52.59 2k8d n ASN 98 Cb 0.17 -0.28 -0.13 0.00 -1.02 0.00 0.00 39.78 38.52 2k8d n ASN 98 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 2k8d s ILE 99 N -2.16 0.89 -0.10 2.41 2.07 -1.26 -0.16 121.20 122.89 2k8d s ILE 99 Ca 0.20 -0.93 0.01 0.00 -1.41 0.00 0.00 60.65 58.52 2k8d s ILE 99 Cb 0.18 -0.83 0.02 0.00 0.13 0.00 0.00 42.46 41.95 2k8d s ILE 99 CO 0.02 -0.08 -0.11 -0.75 -1.91 0.00 0.00 174.94 172.10 2k8d s LYS 100 N -1.14 1.80 -0.03 3.50 2.36 0.11 -4.41 119.74 121.93 2k8d s LYS 100 Ca -0.01 -0.40 0.07 0.00 -2.55 0.00 0.00 55.97 53.08 2k8d s LYS 100 Cb -0.08 -1.64 -0.02 0.00 -1.05 0.00 0.00 37.83 35.05 2k8d s LYS 100 CO 0.01 -0.12 -0.24 -0.51 1.55 0.00 0.00 175.35 176.04 2k8d s LEU 101 N 1.19 2.19 -0.13 5.43 1.02 -1.26 -1.50 118.68 125.62 2k8d s LEU 101 Ca -0.04 -0.42 -0.01 0.00 0.02 0.00 0.00 54.13 53.69 2k8d s LEU 101 Cb -0.14 -1.39 0.04 0.00 0.02 0.00 0.00 46.19 44.72 2k8d s LEU 101 CO -0.03 0.32 -0.03 -0.13 0.02 0.00 0.00 176.35 176.50 2k8d s ARG 102 N -0.62 1.14 0.14 1.70 3.00 -1.18 -4.97 118.95 118.17 2k8d s ARG 102 Ca 0.10 -0.28 -0.30 0.00 0.00 0.00 0.00 55.73 55.25 2k8d s ARG 102 Cb -0.10 -1.65 -0.07 0.00 0.00 0.00 0.00 34.95 33.13 2k8d s ARG 102 CO -0.01 -0.39 0.98 -1.83 0.00 0.00 0.00 175.30 174.06 2k8d s GLU 103 N 1.77 4.70 0.07 3.54 1.03 -1.26 -0.74 118.70 127.81 2k8d s GLU 103 Ca 0.03 1.51 0.01 0.00 0.03 0.00 0.00 54.97 56.54 2k8d s GLU 103 Cb -0.14 -3.34 -0.00 0.00 -0.80 0.00 0.00 34.13 29.84 2k8d s GLU 103 CO -0.07 0.24 0.08 -3.47 -1.33 0.00 0.00 175.26 170.70 2k8d n ASP 104 N 2.51 -0.20 0.00 0.83 2.03 -0.34 -4.94 116.55 116.45 2k8d n ASP 104 Ca 0.02 -1.43 0.00 0.00 0.52 0.00 0.00 54.79 53.89 2k8d n ASP 104 Cb 0.48 0.42 0.00 0.00 -0.72 0.00 0.00 41.12 41.31 2k8d n ASP 104 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 2k8d n ARG 105 N -0.13 1.61 -0.01 -0.67 1.85 -1.25 -0.60 116.66 117.47 2k8d n ARG 105 Ca 0.01 -1.10 0.00 0.00 -1.00 0.00 0.00 57.85 55.76 2k8d n ARG 105 Cb 0.13 -0.93 0.00 0.00 -1.05 0.00 0.00 32.46 30.60 2k8d n ARG 105 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2k8d n SER 106 N -0.31 0.88 0.00 2.89 7.64 -1.26 -0.42 113.62 123.04 2k8d n SER 106 Ca 0.00 -0.60 0.00 0.00 1.01 0.00 0.00 58.87 59.28 2k8d n SER 106 Cb 0.21 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 2k8d n SER 106 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k8d n LEU 107 N 0.90 0.33 0.00 -3.43 -0.00 -1.26 -4.92 117.00 108.62 2k8d n LEU 107 Ca 0.00 -0.39 0.00 0.00 -0.00 0.00 0.00 56.01 55.62 2k8d n LEU 107 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.56 2k8d n LEU 107 CO 0.00 0.08 0.00 0.61 -0.00 0.00 0.00 177.39 178.08 2k8d n GLY 108 N 0.11 0.72 0.00 1.47 0.00 0.44 -4.99 105.19 102.95 2k8d n GLY 108 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.79 0.00 -3.57 1.61 2.81 -1.02 -5.11 117.12 110.06 2k8d n MET 109 Ca 0.00 0.00 -0.21 0.00 -1.81 0.00 0.00 57.70 55.68 2k8d n MET 109 Cb 0.00 0.00 -0.15 0.00 -0.71 0.00 0.00 33.22 32.36 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 0.53 -0.21 -0.34 2.03 1.01 -1.26 -4.41 120.40 117.74 2k8d s VAL 110 Ca 0.00 -0.07 0.03 0.00 0.00 0.00 0.00 61.98 61.94 2k8d s VAL 110 Cb 0.00 -0.58 0.10 0.00 0.00 0.00 0.00 36.38 35.90 2k8d s VAL 110 CO 0.00 -0.19 0.06 -0.60 0.00 0.00 0.00 175.10 174.37 2k8d s ARG 111 N 2.24 1.61 -0.21 2.72 3.52 0.23 -3.19 118.95 125.86 2k8d s ARG 111 Ca 0.04 -1.83 -0.10 0.00 -0.13 0.00 0.00 55.73 53.71 2k8d s ARG 111 Cb -0.15 -3.24 -0.05 0.00 -1.56 0.00 0.00 34.95 29.95 2k8d s ARG 111 CO -0.10 -0.93 0.12 0.00 -0.81 0.00 0.00 175.30 173.59 2k8d s GLU 113 N 0.62 1.71 -0.30 0.00 -1.05 0.08 0.02 118.70 119.79 2k8d s GLU 113 Ca 0.07 1.43 -0.03 0.00 -0.15 0.00 0.00 54.97 56.29 2k8d s GLU 113 Cb -0.12 -1.82 0.11 0.00 -0.44 0.00 0.00 34.13 31.86 2k8d s GLU 113 CO 0.01 -2.10 0.18 0.08 0.95 0.00 0.00 175.26 174.38 2k8d s VAL 114 N -2.64 -0.13 0.26 1.83 1.01 0.10 -3.08 120.40 117.75 2k8d s VAL 114 Ca 0.66 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 61.91 2k8d s VAL 114 Cb -0.21 -0.99 -0.05 0.00 0.00 0.00 0.00 36.38 35.13 2k8d s VAL 114 CO 0.55 -0.69 -0.06 -0.76 0.00 0.00 0.00 175.10 174.13 2k8d s LEU 115 N 2.05 2.44 0.36 3.92 1.02 -0.56 -1.57 118.68 126.35 2k8d s LEU 115 Ca 0.10 -1.17 -0.25 0.00 0.02 0.00 0.00 54.13 52.83 2k8d s LEU 115 Cb -0.16 -0.57 -0.10 0.00 0.02 0.00 0.00 46.19 45.38 2k8d s LEU 115 CO -0.32 -0.35 1.00 0.00 0.02 0.00 0.00 176.35 176.70 2k8d h ALA 117 N 2.80 0.76 0.05 0.00 0.00 -0.76 -2.45 119.26 119.66 2k8d h ALA 117 Ca -0.48 -0.30 -0.26 0.00 0.00 0.00 0.00 54.91 53.87 2k8d h ALA 117 Cb 1.20 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 19.00 2k8d h ALA 117 CO 0.64 0.38 -1.09 -0.09 0.00 0.00 0.00 179.25 179.09 2k8d h ARG 118 N 0.00 0.55 -2.58 0.00 9.65 -1.92 -3.45 114.38 116.64 2k8d h ARG 118 Ca -0.02 -0.66 -0.22 0.00 -1.10 0.00 0.00 59.98 57.98 2k8d h ARG 118 Cb 1.24 0.20 -0.32 0.00 -1.39 0.00 0.00 29.97 29.69 2k8d h ARG 118 CO 0.03 1.27 -0.53 0.00 2.80 0.00 0.00 179.97 183.54 2k8d n ASP 120 N 5.35 2.81 -4.91 0.00 9.92 -0.93 -2.94 116.55 125.86 2k8d n ASP 120 Ca -0.06 -2.09 -0.27 0.00 -0.53 0.00 0.00 54.79 51.84 2k8d n ASP 120 Cb 0.50 -0.76 0.07 0.00 -0.64 0.00 0.00 41.12 40.28 2k8d n ASP 120 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k8d s ALA 121 N 3.31 2.99 0.08 2.24 0.00 -1.26 -4.88 121.76 124.24 2k8d s ALA 121 Ca 0.26 -0.72 -0.19 0.00 0.00 0.00 0.00 51.96 51.30 2k8d s ALA 121 Cb 0.09 -2.77 -0.06 0.00 0.00 0.00 0.00 23.12 20.38 2k8d s ALA 121 CO -0.01 -1.31 1.33 1.25 0.00 0.00 0.00 175.76 177.01 2k8d h HIS 122 N -0.68 -1.04 0.00 0.00 2.76 -1.90 -3.38 115.15 110.90 2k8d h HIS 122 Ca -0.45 0.06 0.00 0.00 -2.20 0.00 0.00 60.37 57.77 2k8d h HIS 122 Cb 1.30 0.50 0.00 0.00 1.55 0.00 0.00 27.41 30.76 2k8d h HIS 122 CO 0.37 -0.28 0.00 1.28 -1.30 0.00 0.00 177.93 178.00 2k8d n LEU 123 N -4.31 0.00 0.00 0.26 7.99 -1.24 -4.82 117.00 114.88 2k8d n LEU 123 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.99 2k8d n LEU 123 Cb 0.19 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.50 2k8d n LEU 123 CO -0.02 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.47 2k8d n GLY 124 N 0.00 -0.11 3.84 -0.72 0.00 -0.61 -0.05 105.19 107.54 2k8d n GLY 124 Ca 0.00 0.57 -0.06 0.00 0.00 0.00 0.00 46.02 46.52 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 0.00 -0.16 -0.05 1.61 -3.43 -0.16 -0.72 115.29 112.39 2k8d s HIS 125 Ca 0.00 -0.29 0.04 0.00 -0.80 0.00 0.00 55.06 54.01 2k8d s HIS 125 Cb 0.00 0.71 -0.02 0.00 -1.43 0.00 0.00 32.58 31.83 2k8d s HIS 125 CO 0.00 -1.19 -0.16 0.54 -2.00 0.00 0.00 174.74 171.92 2k8d s VAL 126 N -3.69 2.88 0.07 -5.38 0.11 0.10 -0.13 120.40 114.36 2k8d s VAL 126 Ca 0.12 -0.79 0.04 0.00 -2.93 0.00 0.00 61.98 58.42 2k8d s VAL 126 Cb -0.05 -2.11 -0.03 0.00 -1.53 0.00 0.00 36.38 32.66 2k8d s VAL 126 CO 0.07 0.59 -0.12 0.72 -3.33 0.00 0.00 175.10 173.02 2k8d s PHE 127 N -0.67 1.06 -0.34 1.54 -0.71 -0.04 -1.77 117.98 117.06 2k8d s PHE 127 Ca 0.10 -0.49 -0.28 0.00 -1.04 0.00 0.00 56.93 55.23 2k8d s PHE 127 Cb -0.11 -0.60 -0.03 0.00 -1.21 0.00 0.00 43.02 41.07 2k8d s PHE 127 CO 0.00 0.02 1.90 0.34 -1.34 0.00 0.00 175.22 176.15 2k8d s ASP 128 N -1.76 5.70 0.00 1.98 -1.08 -1.19 0.19 116.67 120.50 2k8d s ASP 128 Ca -0.03 1.31 0.00 0.00 -0.52 0.00 0.00 52.55 53.31 2k8d s ASP 128 Cb -0.09 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.84 2k8d s ASP 128 CO 0.02 -1.86 0.00 -0.67 0.52 0.00 0.00 175.17 173.17 2k8d n ASP 129 N 11.00 0.00 -3.60 -0.34 -0.08 -0.70 -4.91 116.55 117.91 2k8d n ASP 129 Ca 0.24 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 53.23 2k8d n ASP 129 Cb 0.47 0.22 0.24 0.00 2.34 0.00 0.00 41.12 44.39 2k8d n ASP 129 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2k8d n GLY 130 N -1.49 -2.53 3.71 0.27 0.00 -0.15 -4.92 105.19 100.09 2k8d n GLY 130 Ca 0.00 -1.53 -0.30 0.00 0.00 0.00 0.00 46.02 44.19 2k8d n GLY 130 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k8d s PRO 131 N -5.52 1.19 0.72 1.61 0.04 -1.26 -4.43 135.00 127.34 2k8d s PRO 131 Ca 0.71 0.81 -0.15 0.00 0.04 0.00 0.00 61.00 62.42 2k8d s PRO 131 Cb -0.06 -1.80 0.03 0.00 0.04 0.00 0.00 34.50 32.71 2k8d s PRO 131 CO 0.53 -2.28 1.17 1.03 0.04 0.00 0.00 177.00 177.49 2k8d s ARG 132 N -4.93 2.27 -0.05 4.56 3.00 -1.26 -1.12 118.95 121.43 2k8d s ARG 132 Ca 0.64 1.62 -0.20 0.00 0.00 0.00 0.00 55.73 57.79 2k8d s ARG 132 Cb -0.18 -1.86 -0.14 0.00 0.00 0.00 0.00 34.95 32.76 2k8d s ARG 132 CO 0.57 -1.70 0.84 -1.00 0.00 0.00 0.00 175.30 174.00 2k8d h PRO 133 N -0.31 -0.27 -0.07 3.54 0.13 -1.96 -3.44 132.00 129.61 2k8d h PRO 133 Ca -0.47 0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 64.60 2k8d h PRO 133 Cb 1.28 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 2k8d h PRO 133 CO 0.51 0.10 -0.30 1.79 -0.23 0.00 0.00 178.00 179.86 2k8d h THR 134 N -0.91 1.24 0.00 1.56 1.35 -1.84 -3.46 112.91 110.86 2k8d h THR 134 Ca -0.03 -1.16 0.00 0.00 -0.55 0.00 0.00 66.41 64.67 2k8d h THR 134 Cb 0.50 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 2k8d h THR 134 CO 0.05 0.34 0.00 0.61 -0.25 0.00 0.00 175.52 176.27 2k8d n GLY 135 N -0.54 0.87 3.88 5.82 0.00 -0.27 -4.98 105.19 109.96 2k8d n GLY 135 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.31 3.14 -0.32 1.61 -2.85 -1.26 -0.98 119.74 118.77 2k8d s LYS 136 Ca 0.00 -0.90 0.00 0.00 -1.00 0.00 0.00 55.97 54.07 2k8d s LYS 136 Cb 0.00 -2.71 0.10 0.00 -2.06 0.00 0.00 37.83 33.16 2k8d s LYS 136 CO 0.00 0.43 0.09 0.50 0.10 0.00 0.00 175.35 176.47 2k8d s ARG 137 N -3.77 0.89 0.22 1.78 3.52 0.13 -4.03 118.95 117.70 2k8d s ARG 137 Ca 0.33 -1.27 -0.31 0.00 -0.13 0.00 0.00 55.73 54.35 2k8d s ARG 137 Cb -0.09 -2.27 -0.11 0.00 -1.56 0.00 0.00 34.95 30.92 2k8d s ARG 137 CO 0.26 -0.98 1.59 0.71 -0.81 0.00 0.00 175.30 176.08 2k8d s TYR 138 N 1.44 2.94 -0.01 5.12 1.51 0.77 -0.86 117.35 128.26 2k8d s TYR 138 Ca 0.10 0.66 -0.02 0.00 -1.01 0.00 0.00 57.07 56.80 2k8d s TYR 138 Cb -0.18 -4.00 -0.00 0.00 -0.11 0.00 0.00 41.96 37.67 2k8d s TYR 138 CO -0.21 -3.56 0.05 0.00 -1.11 0.00 0.00 175.55 170.72 2k8d s MET 140 N -0.68 0.89 -0.37 0.00 0.23 -0.63 -0.98 119.30 117.75 2k8d s MET 140 Ca -0.08 -0.73 0.02 0.00 -1.03 0.00 0.00 55.69 53.87 2k8d s MET 140 Cb -0.05 0.38 0.15 0.00 -1.53 0.00 0.00 34.83 33.78 2k8d s MET 140 CO 0.00 -0.30 0.33 -0.80 -2.03 0.00 0.00 175.02 172.22 2k8d s ASN 141 N -2.56 1.70 0.12 -1.18 0.02 0.92 -4.70 114.94 109.26 2k8d s ASN 141 Ca 0.01 -1.89 -0.09 0.00 -1.02 0.00 0.00 52.86 49.87 2k8d s ASN 141 Cb 0.02 0.22 -0.00 0.00 0.02 0.00 0.00 41.25 41.50 2k8d s ASN 141 CO -0.09 -0.26 0.23 -0.44 0.02 0.00 0.00 177.10 176.56 2k8d s SER 142 N 1.20 0.08 0.62 -1.22 0.01 -1.26 -3.71 113.70 109.42 2k8d s SER 142 Ca 0.19 -0.75 0.40 0.00 1.31 0.00 0.00 55.95 57.10 2k8d s SER 142 Cb -0.16 0.38 2.03 0.00 0.21 0.00 0.00 66.02 68.47 2k8d s SER 142 CO -0.02 -0.80 2.23 0.00 0.41 0.00 0.00 173.24 175.06 2k8d h ALA 143 N 2.66 1.02 0.00 1.44 0.00 -1.91 -3.37 119.26 119.10 2k8d h ALA 143 Ca -0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2k8d h ALA 143 Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2k8d h ALA 143 CO 0.53 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.79 2k8d n ALA 144 N -2.10 1.61 -2.58 0.00 0.00 -1.26 -4.02 120.51 112.17 2k8d n ALA 144 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.29 2k8d n ALA 144 Cb 0.16 -1.00 0.02 0.00 0.00 0.00 0.00 19.45 18.63 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 0.89 2.66 -4.67 0.00 4.77 -1.24 -3.62 117.00 115.80 2k8d n LEU 145 Ca 0.00 -4.10 -0.43 0.00 -0.03 0.00 0.00 56.01 51.46 2k8d n LEU 145 Cb 0.07 0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.26 2k8d n LEU 145 CO 0.00 1.70 1.05 -0.75 -1.33 0.00 0.00 177.39 178.07 2k8d s LYS 146 N -3.39 4.28 0.17 3.23 2.20 -0.78 -4.87 119.74 120.58 2k8d s LYS 146 Ca 0.35 1.72 -0.31 0.00 -0.36 0.00 0.00 55.97 57.37 2k8d s LYS 146 Cb 0.42 -3.68 -0.09 0.00 -1.51 0.00 0.00 37.83 32.96 2k8d s LYS 146 CO -0.03 -0.61 1.44 -0.06 -0.36 0.00 0.00 175.35 175.73 2k8d s PHE 147 N 2.94 3.14 0.33 4.03 0.08 -1.26 -0.07 117.98 127.18 2k8d s PHE 147 Ca 0.57 0.92 0.09 0.00 0.12 0.00 0.00 56.93 58.63 2k8d s PHE 147 Cb -0.24 -3.77 -0.05 0.00 -0.57 0.00 0.00 43.02 38.39 2k8d s PHE 147 CO 0.19 -2.66 0.06 0.96 -0.10 0.00 0.00 175.22 173.67 2k8d s ILE 148 N 0.69 2.85 1.30 0.64 -4.36 0.32 -4.88 121.20 117.76 2k8d s ILE 148 Ca 0.64 -1.87 -0.17 0.00 -0.26 0.00 0.00 60.65 58.99 2k8d s ILE 148 Cb -0.40 -2.86 0.33 0.00 1.25 0.00 0.00 42.46 40.78 2k8d s ILE 148 CO 0.35 -0.21 0.97 -2.16 0.24 0.00 0.00 174.94 174.13 2k8d s PRO 149 N -3.76 -2.00 0.57 0.37 0.04 -1.26 -0.94 135.00 128.03 2k8d s PRO 149 Ca 0.35 0.58 0.41 0.00 0.04 0.00 0.00 61.00 62.38 2k8d s PRO 149 Cb -0.02 -1.45 1.46 0.00 0.04 0.00 0.00 34.50 34.54 2k8d s PRO 149 CO 0.21 -4.37 1.54 0.00 0.04 0.00 0.00 177.00 174.41 2k8d h ARG 150 N -3.08 0.00 0.00 4.56 -0.00 -1.91 -3.37 114.38 110.59 2k8d h ARG 150 Ca -0.56 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 58.92 2k8d h ARG 150 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.31 2k8d h ARG 150 CO 0.42 0.00 0.00 -3.47 0.00 0.00 0.00 179.97 176.92 2k8d n ASP 151 N -3.75 0.00 -1.09 7.04 2.03 -1.26 -4.81 116.55 114.71 2k8d n ASP 151 Ca 0.34 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.65 2k8d n ASP 151 Cb 1.71 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 42.10 2k8d n ASP 151 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k8d n GLN 152 N -0.51 0.00 0.07 -0.67 10.64 -1.26 -4.82 117.38 120.83 2k8d n GLN 152 Ca 0.00 -1.39 0.11 0.00 -1.83 0.00 0.00 57.00 53.89 2k8d n GLN 152 Cb 0.00 0.00 0.44 0.00 -0.86 0.00 0.00 30.24 29.82 2k8d n GLN 152 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.06 175.67 2k8d n ILE 153 N 0.24 0.71 -1.27 -0.39 -6.64 -1.26 -5.16 119.36 105.59 2k8d n ILE 153 Ca -0.03 0.11 0.00 0.00 -1.77 0.00 0.00 62.75 61.06 2k8d n ILE 153 Cb 0.90 -0.91 0.00 0.00 -1.44 0.00 0.00 39.64 38.19 2k8d n ILE 153 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39