#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8d n LYS 5 N 0.00 0.36 -0.87 0.03 2.85 -1.26 -5.14 118.16 114.12 2k8d n LYS 5 Ca 0.00 -1.00 0.00 0.00 -1.05 0.00 0.00 58.31 56.26 2k8d n LYS 5 Cb 0.00 0.47 0.00 0.00 -0.65 0.00 0.00 35.03 34.85 2k8d n LYS 5 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2k8d n ASP 6 N -0.41 0.00 -4.74 -5.58 5.68 -1.26 -5.17 116.55 105.08 2k8d n ASP 6 Ca -0.24 -0.60 -0.32 0.00 -0.50 0.00 0.00 54.79 53.13 2k8d n ASP 6 Cb 0.73 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.63 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 -0.80 2.16 0.06 0.11 0.52 -1.26 -3.80 118.95 115.95 2k8d s ARG 7 Ca 0.00 -2.36 0.03 0.00 -0.52 0.00 0.00 55.73 52.88 2k8d s ARG 7 Cb 0.00 -1.53 -0.03 0.00 0.52 0.00 0.00 34.95 33.91 2k8d s ARG 7 CO 0.00 -0.32 -0.09 0.96 0.02 0.00 0.00 175.30 175.86 2k8d s ILE 8 N -2.86 0.74 -0.12 1.52 -4.36 0.19 -4.83 121.20 111.48 2k8d s ILE 8 Ca 0.10 -1.32 -0.30 0.00 -0.26 0.00 0.00 60.65 58.87 2k8d s ILE 8 Cb 0.03 -0.95 -0.01 0.00 1.25 0.00 0.00 42.46 42.78 2k8d s ILE 8 CO 0.05 -0.44 1.04 -2.16 0.24 0.00 0.00 174.94 173.67 2k8d s PRO 9 N -2.08 4.39 0.22 0.37 0.04 -1.26 -0.94 135.00 135.75 2k8d s PRO 9 Ca -0.03 1.43 -0.14 0.00 0.04 0.00 0.00 61.00 62.29 2k8d s PRO 9 Cb -0.07 -3.56 -0.08 0.00 0.04 0.00 0.00 34.50 30.83 2k8d s PRO 9 CO 0.00 -0.38 0.62 0.42 0.04 0.00 0.00 177.00 177.70 2k8d s ILE 10 N 2.22 4.79 -0.35 0.56 -1.09 0.24 -4.11 121.20 123.45 2k8d s ILE 10 Ca 0.49 0.84 0.02 0.00 -2.23 0.00 0.00 60.65 59.76 2k8d s ILE 10 Cb -0.19 -3.69 0.15 0.00 -1.58 0.00 0.00 42.46 37.15 2k8d s ILE 10 CO 0.17 0.05 0.33 0.12 -1.23 0.00 0.00 174.94 174.38 2k8d s PHE 11 N -1.69 -0.13 -1.02 3.97 2.19 -1.26 -0.31 117.98 119.73 2k8d s PHE 11 Ca 0.45 -0.87 -0.24 0.00 0.33 0.00 0.00 56.93 56.60 2k8d s PHE 11 Cb -0.13 -0.52 -0.05 0.00 -1.31 0.00 0.00 43.02 41.02 2k8d s PHE 11 CO 0.20 -0.93 1.89 -1.12 1.83 0.00 0.00 175.22 177.08 2k8d s SER 12 N 1.52 5.29 0.40 6.13 0.01 -0.95 -4.76 113.70 121.34 2k8d s SER 12 Ca 0.16 -1.12 0.08 0.00 1.31 0.00 0.00 55.95 56.38 2k8d s SER 12 Cb -0.16 -2.57 0.84 0.00 0.21 0.00 0.00 66.02 64.34 2k8d s SER 12 CO -0.08 -2.68 2.01 1.62 0.41 0.00 0.00 173.24 174.52 2k8d h VAL 13 N 6.82 1.04 0.00 3.43 3.04 -1.90 0.85 116.25 129.53 2k8d h VAL 13 Ca 0.16 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.64 2k8d h VAL 13 Cb 0.98 0.38 0.00 0.00 -2.01 0.00 0.00 31.29 30.64 2k8d h VAL 13 CO 1.24 0.11 0.17 0.00 -1.01 0.00 0.00 177.57 178.09 2k8d h ALA 14 N 1.68 1.12 0.00 3.17 0.00 -1.85 0.43 119.26 123.81 2k8d h ALA 14 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2k8d h ALA 14 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2k8d h ALA 14 CO -0.06 -0.12 0.00 1.63 0.00 0.00 0.00 179.25 180.70 2k8d n LYS 15 N -2.20 0.93 -3.27 0.00 5.02 -0.26 -5.02 118.16 113.36 2k8d n LYS 15 Ca -0.01 -0.78 -0.12 0.00 -2.02 0.00 0.00 58.31 55.37 2k8d n LYS 15 Cb 0.20 -0.72 0.00 0.00 -0.02 0.00 0.00 35.03 34.49 2k8d n LYS 15 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2k8d n ASN 16 N -0.17 -1.73 -4.68 4.39 5.15 0.14 -4.99 115.26 113.37 2k8d n ASN 16 Ca 0.00 -0.41 -0.23 0.00 -0.60 0.00 0.00 54.58 53.33 2k8d n ASN 16 Cb 0.33 -0.60 -0.07 0.00 -0.53 0.00 0.00 39.78 38.91 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 -4.01 2.33 -0.08 1.20 1.81 0.12 -4.96 118.95 115.36 2k8d s ARG 17 Ca 0.06 -1.47 -0.03 0.00 -1.72 0.00 0.00 55.73 52.57 2k8d s ARG 17 Cb -0.03 -2.17 0.04 0.00 -0.45 0.00 0.00 34.95 32.35 2k8d s ARG 17 CO 0.35 0.26 0.16 0.08 -0.68 0.00 0.00 175.30 175.47 2k8d s VAL 18 N -2.36 -0.20 -0.30 3.52 1.01 -1.26 -2.24 120.40 118.57 2k8d s VAL 18 Ca 0.34 0.30 -0.03 0.00 0.00 0.00 0.00 61.98 62.58 2k8d s VAL 18 Cb -0.05 -0.28 0.10 0.00 0.00 0.00 0.00 36.38 36.16 2k8d s VAL 18 CO 0.21 0.13 0.14 -1.83 0.00 0.00 0.00 175.10 173.74 2k8d s GLU 19 N 1.94 0.26 0.30 2.72 1.03 0.57 -4.98 118.70 120.54 2k8d s GLU 19 Ca -0.01 -0.65 -0.29 0.00 0.03 0.00 0.00 54.97 54.05 2k8d s GLU 19 Cb -0.12 -1.22 -0.10 0.00 -0.80 0.00 0.00 34.13 31.89 2k8d s GLU 19 CO -0.06 -1.04 1.27 1.41 -1.33 0.00 0.00 175.26 175.51 2k8d s MET 20 N 1.95 4.41 -0.02 -4.83 1.75 -1.26 -0.59 119.30 120.72 2k8d s MET 20 Ca 0.10 2.11 0.01 0.00 -1.25 0.00 0.00 55.69 56.67 2k8d s MET 20 Cb -0.17 -3.11 0.01 0.00 2.84 0.00 0.00 34.83 34.40 2k8d s MET 20 CO -0.32 -0.13 -0.04 0.08 -0.65 0.00 0.00 175.02 173.97 2k8d s VAL 21 N -0.92 0.39 1.09 10.11 1.01 -0.11 -4.85 120.40 127.11 2k8d s VAL 21 Ca 0.49 -0.13 -0.12 0.00 0.00 0.00 0.00 61.98 62.22 2k8d s VAL 21 Cb -0.38 -0.38 0.24 0.00 0.00 0.00 0.00 36.38 35.86 2k8d s VAL 21 CO 0.48 0.15 1.06 -1.83 0.00 0.00 0.00 175.10 174.96 2k8d s GLU 22 N 0.39 -0.33 0.00 2.72 1.03 -1.26 -0.64 118.70 120.60 2k8d s GLU 22 Ca -0.04 0.89 0.00 0.00 0.03 0.00 0.00 54.97 55.84 2k8d s GLU 22 Cb -0.08 -1.62 0.00 0.00 -0.80 0.00 0.00 34.13 31.63 2k8d s GLU 22 CO -0.00 -3.34 0.00 0.54 -1.33 0.00 0.00 175.26 171.12 2k8d n ARG 23 N -4.66 0.20 -2.89 -4.83 1.74 -1.25 -4.64 116.66 100.34 2k8d n ARG 23 Ca 0.05 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.70 2k8d n ARG 23 Cb 0.54 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.94 2k8d n ARG 23 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 2k8d s ILE 24 N -0.67 4.62 -0.30 0.55 -1.16 -1.26 -4.99 121.20 117.99 2k8d s ILE 24 Ca 0.00 0.88 -0.02 0.00 -0.51 0.00 0.00 60.65 61.00 2k8d s ILE 24 Cb 0.00 -4.31 0.12 0.00 0.61 0.00 0.00 42.46 38.88 2k8d s ILE 24 CO 0.00 -0.59 0.20 -1.61 -2.81 0.00 0.00 174.94 170.13 2k8d s GLU 25 N 3.37 0.29 0.28 3.50 0.41 -1.26 -5.08 118.70 120.21 2k8d s GLU 25 Ca 0.34 -0.53 0.02 0.00 -0.41 0.00 0.00 54.97 54.40 2k8d s GLU 25 Cb -0.12 -1.01 -0.04 0.00 -1.78 0.00 0.00 34.13 31.18 2k8d s GLU 25 CO 0.20 -1.05 0.14 -0.51 -0.49 0.00 0.00 175.26 173.55 2k8d s LEU 26 N 2.03 1.59 0.75 1.80 1.43 -1.26 -5.17 118.68 119.84 2k8d s LEU 26 Ca 0.10 -1.49 -0.12 0.00 -1.03 0.00 0.00 54.13 51.59 2k8d s LEU 26 Cb -0.16 0.19 0.04 0.00 0.03 0.00 0.00 46.19 46.29 2k8d s LEU 26 CO -0.30 -0.84 1.13 -0.44 0.23 0.00 0.00 176.35 176.12 2k8d s SER 27 N -3.33 5.09 0.05 2.29 0.01 -1.26 -5.04 113.70 111.51 2k8d s SER 27 Ca 0.37 1.00 -0.28 0.00 1.31 0.00 0.00 55.95 58.35 2k8d s SER 27 Cb 0.06 -1.68 -0.17 0.00 0.21 0.00 0.00 66.02 64.43 2k8d s SER 27 CO 0.16 -1.56 1.48 -0.78 0.41 0.00 0.00 173.24 172.95 2k8d h ASP 28 N -0.81 -0.45 0.42 2.44 3.58 -2.03 -3.18 116.42 116.38 2k8d h ASP 28 Ca -0.45 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 56.93 2k8d h ASP 28 Cb 1.28 0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.45 2k8d h ASP 28 CO 0.65 -0.21 0.00 0.44 -2.88 0.00 0.00 179.24 177.24 2k8d h ASP 29 N -0.68 0.00 -0.95 2.28 3.32 -2.04 -2.59 116.42 115.76 2k8d h ASP 29 Ca -0.05 0.00 0.08 0.00 0.02 0.00 0.00 57.03 57.07 2k8d h ASP 29 Cb 0.49 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.97 2k8d h ASP 29 CO 0.09 0.00 0.60 -0.33 -1.72 0.00 0.00 179.24 177.88 2k8d h GLU 30 N 0.00 1.02 0.00 3.56 5.08 -1.96 -2.87 114.58 119.41 2k8d h GLU 30 Ca 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2k8d h GLU 30 Cb 0.21 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2k8d h GLU 30 CO 0.00 0.68 0.00 0.91 -1.00 0.00 0.00 179.01 179.60 2k8d n TRP 31 N -4.58 0.00 -0.07 4.33 7.02 -0.98 -1.18 117.44 121.99 2k8d n TRP 31 Ca 0.15 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.63 2k8d n TRP 31 Cb 0.22 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.11 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 -0.64 2.12 -0.00 -0.99 0.00 -1.08 -4.16 116.66 111.91 2k8d n ARG 32 Ca 0.00 -0.02 0.01 0.00 -0.00 0.00 0.00 57.85 57.84 2k8d n ARG 32 Cb 0.00 -0.23 -0.02 0.00 -0.00 0.00 0.00 32.46 32.21 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 -0.31 0.95 0.00 2.89 0.28 -0.36 -4.60 120.64 119.49 2k8d n GLU 33 Ca 0.00 -0.02 0.07 0.00 -0.16 0.00 0.00 57.16 57.06 2k8d n GLU 33 Cb 0.02 -1.06 -0.08 0.00 1.43 0.00 0.00 31.44 31.75 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 -1.70 0.00 -2.61 3.84 -5.35 -0.32 -5.05 119.36 108.16 2k8d n ILE 34 Ca -0.01 -0.15 -0.23 0.00 -0.27 0.00 0.00 62.75 62.09 2k8d n ILE 34 Cb 0.19 1.02 0.08 0.00 -1.74 0.00 0.00 39.64 39.19 2k8d n ILE 34 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 2k8d s LEU 35 N -2.67 3.07 0.39 7.28 0.20 -1.25 -5.04 118.68 120.65 2k8d s LEU 35 Ca 0.07 -0.26 -0.27 0.00 0.69 0.00 0.00 54.13 54.35 2k8d s LEU 35 Cb 0.12 -2.25 -0.10 0.00 -0.43 0.00 0.00 46.19 43.52 2k8d s LEU 35 CO 0.62 -1.62 1.45 -1.81 -0.29 0.00 0.00 176.35 174.70 2k8d s ASP 36 N -4.64 6.27 0.12 3.68 1.01 -1.26 -4.91 116.67 116.94 2k8d s ASP 36 Ca 0.63 2.97 0.21 0.00 0.71 0.00 0.00 52.55 57.07 2k8d s ASP 36 Cb -0.07 -2.66 0.85 0.00 1.01 0.00 0.00 42.92 42.05 2k8d s ASP 36 CO 0.42 -0.91 1.65 -0.81 0.21 0.00 0.00 175.17 175.73 2k8d n PRO 37 N 0.32 0.10 0.11 8.23 -0.04 -1.26 -1.26 135.00 141.20 2k8d n PRO 37 Ca 0.02 0.28 -0.23 0.00 -0.04 0.00 0.00 63.50 63.53 2k8d n PRO 37 Cb 0.40 -1.67 -0.15 0.00 -0.04 0.00 0.00 33.50 32.04 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 0.45 -0.48 0.54 4.81 -1.99 -3.29 114.58 114.61 2k8d h GLU 38 Ca 0.00 -0.76 -0.02 0.00 -0.13 0.00 0.00 59.36 58.45 2k8d h GLU 38 Cb 0.38 0.28 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 2k8d h GLU 38 CO 0.00 1.35 0.23 0.00 -0.73 0.00 0.00 179.01 179.87 2k8d h ALA 39 N 0.22 0.61 -0.43 2.92 0.00 -1.53 0.19 119.26 121.25 2k8d h ALA 39 Ca -0.27 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.60 2k8d h ALA 39 Cb 2.12 -0.19 -0.09 0.00 0.00 0.00 0.00 17.79 19.63 2k8d h ALA 39 CO 0.23 0.17 -0.45 0.35 0.00 0.00 0.00 179.25 179.55 2k8d h PHE 40 N 0.63 -1.32 -0.01 0.00 3.57 -1.57 0.23 116.94 118.47 2k8d h PHE 40 Ca 0.16 0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 2k8d h PHE 40 Cb 0.11 0.64 0.00 0.00 2.79 0.00 0.00 35.95 39.49 2k8d h PHE 40 CO -0.01 -0.45 -0.04 0.07 -2.23 0.00 0.00 178.31 175.66 2k8d h ARG 41 N -0.32 0.04 -0.78 1.11 0.11 -1.55 -3.19 114.38 109.79 2k8d h ARG 41 Ca 0.13 -0.03 0.19 0.00 0.10 0.00 0.00 59.98 60.37 2k8d h ARG 41 Cb 0.58 0.01 -0.05 0.00 1.11 0.00 0.00 29.97 31.62 2k8d h ARG 41 CO -0.59 0.71 0.54 0.28 0.10 0.00 0.00 179.97 181.00 2k8d h VAL 42 N -0.62 0.70 0.00 0.08 2.07 -0.46 0.17 116.25 118.18 2k8d h VAL 42 Ca -0.00 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 2k8d h VAL 42 Cb 0.72 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2k8d h VAL 42 CO 0.01 0.05 -0.03 0.00 0.02 0.00 0.00 177.57 177.62 2k8d h ALA 43 N 1.63 1.80 0.00 1.67 0.00 -0.93 0.06 119.26 123.49 2k8d h ALA 43 Ca 0.39 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.15 2k8d h ALA 43 Cb 1.14 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2k8d h ALA 43 CO -0.09 0.03 -1.44 2.89 0.00 0.00 0.00 179.25 180.64 2k8d n ARG 44 N -4.28 0.63 0.00 0.00 1.85 0.56 -4.55 116.66 110.87 2k8d n ARG 44 Ca -0.03 0.14 0.05 0.00 -1.00 0.00 0.00 57.85 57.01 2k8d n ARG 44 Cb 0.11 -1.76 0.03 0.00 -1.05 0.00 0.00 32.46 29.78 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 -2.76 1.05 -4.45 2.89 2.85 -0.86 -4.98 118.16 111.89 2k8d n LYS 45 Ca -0.08 -0.93 -0.38 0.00 -1.05 0.00 0.00 58.31 55.86 2k8d n LYS 45 Cb 0.76 -1.16 -0.08 0.00 -0.65 0.00 0.00 35.03 33.90 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 0.28 -1.49 0.00 0.58 0.00 -0.05 -2.54 120.51 117.29 2k8d n ALA 46 Ca 0.05 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2k8d n ALA 46 Cb 0.24 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 17.74 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 -1.60 2.79 3.54 0.00 0.00 -1.22 -4.63 105.19 104.07 2k8d n GLY 47 Ca -0.04 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.69 -0.78 0.05 2.61 2.01 -1.05 -4.96 115.64 110.83 2k8d s THR 48 Ca 0.00 0.04 -0.27 0.00 0.31 0.00 0.00 61.69 61.77 2k8d s THR 48 Cb 0.00 -0.91 -0.14 0.00 0.01 0.00 0.00 72.50 71.46 2k8d s THR 48 CO 0.00 0.02 1.41 -0.33 -0.69 0.00 0.00 174.62 175.03 2k8d h GLU 49 N 7.91 -0.82 -7.39 4.92 5.08 -1.95 -3.43 114.58 118.90 2k8d h GLU 49 Ca -0.19 0.06 -0.47 0.00 -1.00 0.00 0.00 59.36 57.75 2k8d h GLU 49 Cb 1.12 0.19 0.13 0.00 0.50 0.00 0.00 28.75 30.69 2k8d h GLU 49 CO 0.12 -0.55 0.28 -1.25 -1.00 0.00 0.00 179.01 176.61 2k8d s PRO 50 N -5.13 1.36 0.70 2.33 0.04 -1.26 -5.05 135.00 127.98 2k8d s PRO 50 Ca -0.14 0.61 -0.15 0.00 0.04 0.00 0.00 61.00 61.36 2k8d s PRO 50 Cb 0.02 -1.84 0.02 0.00 0.04 0.00 0.00 34.50 32.75 2k8d s PRO 50 CO 0.44 -2.12 1.17 -1.25 0.04 0.00 0.00 177.00 175.28 2k8d s PRO 51 N -5.08 2.43 0.91 0.56 0.04 -1.26 -5.04 135.00 127.56 2k8d s PRO 51 Ca 0.63 1.62 -0.12 0.00 0.04 0.00 0.00 61.00 63.17 2k8d s PRO 51 Cb -0.16 -1.88 0.14 0.00 0.04 0.00 0.00 34.50 32.63 2k8d s PRO 51 CO 0.55 -1.58 1.11 -0.59 0.04 0.00 0.00 177.00 176.54 2k8d s PHE 52 N -2.10 2.44 0.07 0.56 -0.12 -1.26 -4.95 117.98 112.62 2k8d s PHE 52 Ca 0.72 1.00 0.00 0.00 -0.05 0.00 0.00 56.93 58.60 2k8d s PHE 52 Cb -0.26 -3.27 0.00 0.00 -0.63 0.00 0.00 43.02 38.86 2k8d s PHE 52 CO 0.43 -2.39 0.00 2.41 -0.05 0.00 0.00 175.22 175.62 2k8d n THR 53 N -3.82 0.00 -1.24 -4.49 -1.04 -1.26 -5.12 114.28 97.31 2k8d n THR 53 Ca 0.06 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.78 2k8d n THR 53 Cb 0.58 0.00 0.19 0.00 -1.82 0.00 0.00 70.33 69.28 2k8d n THR 53 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2k8d s GLY 54 N -2.00 1.58 0.30 3.41 0.00 -1.26 -5.11 107.32 104.24 2k8d s GLY 54 Ca 0.00 -0.63 0.04 0.00 0.00 0.00 0.00 44.72 44.13 2k8d s GLY 54 CO 0.00 0.07 0.27 -1.59 0.00 0.00 0.00 173.10 171.86 2k8d s LYS 55 N -5.20 1.65 0.66 2.90 -2.85 -1.26 -5.15 119.74 110.48 2k8d s LYS 55 Ca 0.67 -1.90 -0.16 0.00 -1.00 0.00 0.00 55.97 53.59 2k8d s LYS 55 Cb -0.14 0.33 -0.00 0.00 -2.06 0.00 0.00 37.83 35.95 2k8d s LYS 55 CO 0.56 -0.61 1.16 0.71 0.10 0.00 0.00 175.35 177.27 2k8d s TYR 56 N -3.56 2.40 0.49 1.78 2.02 -1.26 -5.07 117.35 114.16 2k8d s TYR 56 Ca 0.39 1.56 -0.08 0.00 -0.37 0.00 0.00 57.07 58.57 2k8d s TYR 56 Cb 0.03 -3.34 -0.04 0.00 -0.40 0.00 0.00 41.96 38.21 2k8d s TYR 56 CO 0.23 -2.06 0.83 -3.38 -1.57 0.00 0.00 175.55 169.60 2k8d s HIS 57 N -2.02 3.55 0.28 2.71 -3.43 -1.26 -5.07 115.29 110.06 2k8d s HIS 57 Ca 0.72 0.97 -0.30 0.00 -0.80 0.00 0.00 55.06 55.65 2k8d s HIS 57 Cb -0.25 -2.42 -0.12 0.00 -1.43 0.00 0.00 32.58 28.35 2k8d s HIS 57 CO 0.39 -0.31 1.47 -0.25 -2.00 0.00 0.00 174.74 174.04 2k8d n ASP 58 N -2.09 3.26 -1.72 7.38 9.92 -1.26 -5.00 116.55 127.03 2k8d n ASP 58 Ca 0.02 1.16 -0.04 0.00 -0.53 0.00 0.00 54.79 55.40 2k8d n ASP 58 Cb 0.55 -1.51 -0.01 0.00 -0.64 0.00 0.00 41.12 39.50 2k8d n ASP 58 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 2k8d n LEU 59 N 1.89 0.00 -3.50 0.64 0.00 -1.26 -5.01 117.00 109.76 2k8d n LEU 59 Ca 0.09 -0.55 -0.37 0.00 0.00 0.00 0.00 56.01 55.17 2k8d n LEU 59 Cb 0.35 0.22 -0.04 0.00 0.00 0.00 0.00 43.42 43.95 2k8d n LEU 59 CO 0.63 -0.09 2.32 1.41 0.00 0.00 0.00 177.39 181.66 2k8d n HIS 60 N -0.14 1.99 -1.15 1.96 8.25 -1.26 -4.83 115.22 120.04 2k8d n HIS 60 Ca -0.00 -2.07 -0.34 0.00 -0.26 0.00 0.00 57.72 55.05 2k8d n HIS 60 Cb 0.11 -1.85 -0.03 0.00 1.12 0.00 0.00 29.99 29.34 2k8d n HIS 60 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2k8d n ASP 61 N 6.24 7.65 -3.95 0.41 8.00 -1.26 -4.79 116.55 128.86 2k8d n ASP 61 Ca 0.50 -2.50 -0.29 0.00 0.71 0.00 0.00 54.79 53.21 2k8d n ASP 61 Cb 0.32 -1.43 -0.16 0.00 -0.02 0.00 0.00 41.12 39.83 2k8d n ASP 61 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2k8d s ASP 62 N 2.49 2.81 0.00 -2.24 2.15 -1.26 -5.01 116.67 115.61 2k8d s ASP 62 Ca 0.62 -0.61 0.00 0.00 0.43 0.00 0.00 52.55 52.99 2k8d s ASP 62 Cb 0.16 -1.04 0.00 0.00 -0.30 0.00 0.00 42.92 41.75 2k8d s ASP 62 CO -0.05 -0.13 0.00 0.61 -0.17 0.00 0.00 175.17 175.43 2k8d n GLY 63 N 4.82 -1.15 3.30 2.66 0.00 -1.26 -4.52 105.19 109.03 2k8d n GLY 63 Ca -0.14 -1.17 -0.16 0.00 0.00 0.00 0.00 46.02 44.55 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 -3.00 1.18 0.53 -0.61 -4.36 -0.01 -3.84 121.20 111.08 2k8d s ILE 64 Ca 0.00 -2.06 -0.16 0.00 -0.26 0.00 0.00 60.65 58.17 2k8d s ILE 64 Cb 0.00 -2.10 -0.07 0.00 1.25 0.00 0.00 42.46 41.54 2k8d s ILE 64 CO 0.00 -0.54 0.99 -0.31 0.24 0.00 0.00 174.94 175.32 2k8d s TYR 65 N -3.33 3.47 0.03 1.37 2.02 0.20 -1.14 117.35 119.97 2k8d s TYR 65 Ca 0.23 1.44 -0.00 0.00 -0.37 0.00 0.00 57.07 58.37 2k8d s TYR 65 Cb 0.04 -2.79 -0.03 0.00 -0.40 0.00 0.00 41.96 38.79 2k8d s TYR 65 CO 0.05 -0.43 -0.03 0.50 -1.57 0.00 0.00 175.55 174.07 2k8d s ARG 66 N -4.23 0.40 -0.70 -0.62 3.52 0.53 -1.30 118.95 116.55 2k8d s ARG 66 Ca 0.58 -0.78 -0.12 0.00 -0.13 0.00 0.00 55.73 55.28 2k8d s ARG 66 Cb -0.10 0.13 0.18 0.00 -1.56 0.00 0.00 34.95 33.60 2k8d s ARG 66 CO 0.35 -0.07 0.61 0.00 -0.81 0.00 0.00 175.30 175.38 2k8d h ILE 68 N 5.23 1.13 0.00 0.00 2.10 -0.68 0.41 117.51 125.70 2k8d h ILE 68 Ca -0.02 -0.35 0.00 0.00 1.08 0.00 0.00 64.86 65.57 2k8d h ILE 68 Cb 1.04 0.65 0.00 0.00 -1.09 0.00 0.00 36.82 37.42 2k8d h ILE 68 CO 0.80 0.14 0.00 0.00 -1.08 0.00 0.00 178.15 178.02 2k8d n GLY 71 N 0.00 0.29 3.32 0.00 0.00 0.01 -4.92 105.19 103.89 2k8d n GLY 71 Ca 0.00 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.33 2.25 0.71 2.61 2.01 -0.47 -4.90 115.64 116.51 2k8d s THR 72 Ca 0.00 -1.02 -0.11 0.00 0.31 0.00 0.00 61.69 60.87 2k8d s THR 72 Cb 0.00 -1.81 0.01 0.00 0.01 0.00 0.00 72.50 70.71 2k8d s THR 72 CO 0.00 0.58 1.09 1.51 -0.69 0.00 0.00 174.62 177.11 2k8d s ASP 73 N -0.43 5.44 0.00 3.53 -4.77 -1.26 0.05 116.67 119.23 2k8d s ASP 73 Ca 0.04 1.17 0.00 0.00 -3.30 0.00 0.00 52.55 50.46 2k8d s ASP 73 Cb -0.12 -1.98 0.00 0.00 -1.09 0.00 0.00 42.92 39.73 2k8d s ASP 73 CO 0.01 -1.35 0.00 0.00 0.70 0.00 0.00 175.17 174.53 2k8d n LEU 74 N -3.02 0.00 -4.72 2.11 -0.00 -0.42 -4.81 117.00 106.14 2k8d n LEU 74 Ca 0.07 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.66 2k8d n LEU 74 Cb 0.57 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.96 2k8d n LEU 74 CO 0.57 0.00 1.33 -0.36 -0.00 0.00 0.00 177.39 178.93 2k8d s PHE 75 N 1.13 2.87 0.15 1.47 0.08 -1.25 -4.64 117.98 117.79 2k8d s PHE 75 Ca 0.00 0.41 -0.30 0.00 0.12 0.00 0.00 56.93 57.16 2k8d s PHE 75 Cb 0.00 -4.06 -0.07 0.00 -0.57 0.00 0.00 43.02 38.32 2k8d s PHE 75 CO 0.00 -4.03 1.16 0.34 -0.10 0.00 0.00 175.22 172.59 2k8d s ASP 76 N 1.37 7.15 0.52 1.36 -1.08 -1.26 -0.63 116.67 124.09 2k8d s ASP 76 Ca 0.74 2.13 0.35 0.00 -0.52 0.00 0.00 52.55 55.25 2k8d s ASP 76 Cb -0.47 -2.60 1.80 0.00 -1.46 0.00 0.00 42.92 40.20 2k8d s ASP 76 CO 0.32 -0.34 2.06 0.28 0.52 0.00 0.00 175.17 178.01 2k8d h SER 77 N 5.54 0.00 -0.26 -0.34 0.02 -1.94 -1.80 113.55 114.78 2k8d h SER 77 Ca -0.44 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 60.57 2k8d h SER 77 Cb 1.21 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 2k8d h SER 77 CO 0.75 0.00 0.18 1.05 -1.14 0.00 0.00 176.83 177.67 2k8d h GLU 78 N 0.00 0.08 0.00 3.45 -0.00 -1.92 -0.41 114.58 115.78 2k8d h GLU 78 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 2k8d h GLU 78 Cb 0.11 -0.02 0.00 0.00 -0.00 0.00 0.00 28.75 28.85 2k8d h GLU 78 CO 0.00 0.05 0.00 1.79 -0.00 0.00 0.00 179.01 180.85 2k8d h THR 79 N 0.08 0.00 -3.37 -1.06 1.35 -1.64 -3.46 112.91 104.81 2k8d h THR 79 Ca 0.12 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 2k8d h THR 79 Cb 0.36 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.97 2k8d h THR 79 CO -0.01 0.00 0.00 1.17 -0.25 0.00 0.00 175.52 176.43 2k8d n LYS 80 N -2.63 2.36 -0.47 4.72 4.81 -0.16 -1.38 118.16 125.40 2k8d n LYS 80 Ca 0.01 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.49 2k8d n LYS 80 Cb 0.25 0.00 0.06 0.00 0.02 0.00 0.00 35.03 35.36 2k8d n LYS 80 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2k8d n PHE 81 N -0.33 0.00 -1.65 5.64 7.35 -1.26 -4.90 117.46 122.30 2k8d n PHE 81 Ca 0.00 -0.46 -0.50 0.00 -0.76 0.00 0.00 57.45 55.73 2k8d n PHE 81 Cb 0.00 -0.10 -0.05 0.00 0.35 0.00 0.00 39.48 39.67 2k8d n PHE 81 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 2k8d n ASP 82 N -0.47 3.14 0.00 -2.13 8.00 -1.26 -0.72 116.55 123.11 2k8d n ASP 82 Ca 0.07 0.88 0.00 0.00 0.71 0.00 0.00 54.79 56.45 2k8d n ASP 82 Cb 0.73 -1.34 0.00 0.00 -0.02 0.00 0.00 41.12 40.49 2k8d n ASP 82 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2k8d n SER 83 N 7.15 0.00 -0.13 -2.24 7.64 -1.26 -4.84 113.62 119.94 2k8d n SER 83 Ca 0.26 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.89 2k8d n SER 83 Cb 0.27 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.39 2k8d n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k8d n GLY 84 N -0.58 -0.50 0.00 0.23 0.00 -0.14 -4.94 105.19 99.25 2k8d n GLY 84 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -4.31 0.00 -1.45 2.61 5.66 -0.16 -5.04 114.28 111.59 2k8d n THR 85 Ca -0.45 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.40 2k8d n THR 85 Cb 0.80 0.30 -0.07 0.00 -1.55 0.00 0.00 70.33 69.82 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 1.48 3.74 1.09 0.00 0.10 -4.89 105.19 106.71 2k8d n GLY 86 Ca 0.00 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 2k8d n GLY 86 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2k8d s TRP 87 N -2.35 2.24 -0.15 1.61 1.48 -1.26 -4.75 118.94 115.76 2k8d s TRP 87 Ca 0.00 1.51 -0.06 0.00 -1.06 0.00 0.00 56.10 56.49 2k8d s TRP 87 Cb 0.00 -3.56 -0.23 0.00 -1.16 0.00 0.00 33.47 28.53 2k8d s TRP 87 CO 0.00 -2.52 3.25 -0.35 -4.06 0.00 0.00 176.95 173.27 2k8d n PRO 88 N -1.83 1.94 -4.34 3.25 -0.04 -1.26 -4.52 135.00 128.20 2k8d n PRO 88 Ca 0.14 -1.01 -0.20 0.00 -0.04 0.00 0.00 63.50 62.40 2k8d n PRO 88 Cb 0.49 -2.02 -0.13 0.00 -0.04 0.00 0.00 33.50 31.80 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 2.14 1.73 0.15 3.54 1.04 -1.26 -1.72 113.70 119.32 2k8d s SER 89 Ca 0.60 -0.49 -0.03 0.00 0.48 0.00 0.00 55.95 56.52 2k8d s SER 89 Cb 0.27 -0.10 -0.03 0.00 0.10 0.00 0.00 66.02 66.26 2k8d s SER 89 CO -0.01 0.02 0.12 0.72 0.98 0.00 0.00 173.24 175.08 2k8d s PHE 90 N -0.92 0.80 -0.19 5.02 -0.71 0.56 -4.09 117.98 118.46 2k8d s PHE 90 Ca 0.01 -1.15 0.04 0.00 -1.04 0.00 0.00 56.93 54.79 2k8d s PHE 90 Cb -0.08 -0.39 -0.03 0.00 -1.21 0.00 0.00 43.02 41.30 2k8d s PHE 90 CO 0.01 -0.58 0.19 2.48 -1.34 0.00 0.00 175.22 175.98 2k8d n TYR 91 N -0.15 0.00 -3.73 3.49 0.18 -0.48 -0.09 117.16 116.38 2k8d n TYR 91 Ca -0.05 0.00 -0.06 0.00 1.88 0.00 0.00 57.90 59.67 2k8d n TYR 91 Cb 0.64 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.59 2k8d n TYR 91 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 2k8d n ASP 92 N -0.99 -0.61 -4.34 9.48 -0.08 -1.26 -4.61 116.55 114.15 2k8d n ASP 92 Ca 0.01 -1.78 -0.17 0.00 -1.51 0.00 0.00 54.79 51.33 2k8d n ASP 92 Cb 0.06 1.11 -0.10 0.00 2.34 0.00 0.00 41.12 44.53 2k8d n ASP 92 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 2k8d s VAL 93 N -2.60 1.07 0.23 5.18 -7.23 -1.26 -4.83 120.40 110.97 2k8d s VAL 93 Ca 0.12 -2.04 -0.07 0.00 -1.81 0.00 0.00 61.98 58.18 2k8d s VAL 93 Cb -0.01 -2.35 0.18 0.00 0.56 0.00 0.00 36.38 34.77 2k8d s VAL 93 CO 0.08 -0.33 1.74 1.62 -0.31 0.00 0.00 175.10 177.91 2k8d h VAL 94 N 2.46 0.72 0.00 1.32 3.04 -1.90 -3.48 116.25 118.41 2k8d h VAL 94 Ca -0.38 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.16 2k8d h VAL 94 Cb 1.22 0.24 0.00 0.00 -2.01 0.00 0.00 31.29 30.74 2k8d h VAL 94 CO 0.65 0.08 0.00 -1.20 -1.01 0.00 0.00 177.57 176.09 2k8d n SER 95 N -4.99 0.00 -3.91 3.17 7.64 -1.26 -4.87 113.62 109.41 2k8d n SER 95 Ca 0.12 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.59 2k8d n SER 95 Cb 0.34 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.50 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 -1.14 1.89 0.04 1.43 1.02 -1.26 -4.26 120.64 118.35 2k8d n GLU 96 Ca 0.00 -2.22 0.00 0.00 -0.02 0.00 0.00 57.16 54.92 2k8d n GLU 96 Cb 0.00 -3.19 0.00 0.00 -0.02 0.00 0.00 31.44 28.23 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 8.67 -0.12 -0.38 -0.32 1.44 -1.26 -4.80 115.22 118.44 2k8d n HIS 97 Ca 0.49 0.02 0.04 0.00 -2.01 0.00 0.00 57.72 56.26 2k8d n HIS 97 Cb 0.42 0.04 0.08 0.00 0.12 0.00 0.00 29.99 30.65 2k8d n HIS 97 CO 0.00 0.00 0.00 -1.71 -2.81 0.00 0.00 176.34 171.82 2k8d n ASN 98 N -3.30 2.37 -4.15 4.39 5.15 -1.26 -4.26 115.26 114.21 2k8d n ASN 98 Ca 0.00 -2.37 -0.23 0.00 -0.60 0.00 0.00 54.58 51.39 2k8d n ASN 98 Cb 0.18 -0.19 -0.14 0.00 -0.53 0.00 0.00 39.78 39.09 2k8d n ASN 98 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 2k8d s ILE 99 N -1.64 1.24 0.06 -1.44 -1.16 -1.26 -0.34 121.20 116.66 2k8d s ILE 99 Ca 0.15 -0.82 0.09 0.00 -0.51 0.00 0.00 60.65 59.55 2k8d s ILE 99 Cb 0.12 -1.06 -0.03 0.00 0.61 0.00 0.00 42.46 42.10 2k8d s ILE 99 CO 0.04 0.23 -0.23 -0.75 -2.81 0.00 0.00 174.94 171.41 2k8d s LYS 100 N -0.69 1.50 0.16 3.50 2.36 0.62 -4.43 119.74 122.76 2k8d s LYS 100 Ca 0.05 -1.08 0.07 0.00 -2.55 0.00 0.00 55.97 52.46 2k8d s LYS 100 Cb -0.07 -1.70 -0.04 0.00 -1.05 0.00 0.00 37.83 34.97 2k8d s LYS 100 CO 0.00 0.43 -0.14 -0.51 1.55 0.00 0.00 175.35 176.68 2k8d s LEU 101 N -1.40 2.48 -0.03 5.43 1.02 -1.26 -1.66 118.68 123.25 2k8d s LEU 101 Ca 0.10 -0.92 -0.01 0.00 0.02 0.00 0.00 54.13 53.31 2k8d s LEU 101 Cb -0.09 -0.60 0.02 0.00 0.02 0.00 0.00 46.19 45.54 2k8d s LEU 101 CO 0.03 -0.17 0.07 -0.13 0.02 0.00 0.00 176.35 176.17 2k8d s ARG 102 N -3.19 0.03 0.35 1.70 3.00 -1.23 -4.97 118.95 114.65 2k8d s ARG 102 Ca 0.16 0.20 -0.26 0.00 0.00 0.00 0.00 55.73 55.83 2k8d s ARG 102 Cb -0.02 -0.13 -0.09 0.00 0.00 0.00 0.00 34.95 34.70 2k8d s ARG 102 CO 0.04 -0.11 1.02 -2.00 0.00 0.00 0.00 175.30 174.25 2k8d s GLU 103 N 0.74 4.40 0.34 3.54 -6.30 -1.26 -0.72 118.70 119.43 2k8d s GLU 103 Ca -0.06 1.48 -0.06 0.00 -2.50 0.00 0.00 54.97 53.83 2k8d s GLU 103 Cb -0.08 -2.74 0.01 0.00 0.00 0.00 0.00 34.13 31.33 2k8d s GLU 103 CO -0.03 0.07 0.54 0.34 0.02 0.00 0.00 175.26 176.21 2k8d s ASP 104 N -1.48 0.63 -0.19 -1.70 2.15 -0.91 -4.92 116.67 110.26 2k8d s ASP 104 Ca 0.53 -1.36 0.13 0.00 0.43 0.00 0.00 52.55 52.27 2k8d s ASP 104 Cb -0.22 0.70 0.39 0.00 -0.30 0.00 0.00 42.92 43.49 2k8d s ASP 104 CO 0.28 -1.37 1.20 -2.11 -0.17 0.00 0.00 175.17 173.01 2k8d n ARG 105 N -0.54 1.50 0.00 4.34 1.85 -1.26 0.08 116.66 122.63 2k8d n ARG 105 Ca -0.01 -3.14 0.00 0.00 -1.00 0.00 0.00 57.85 53.70 2k8d n ARG 105 Cb 0.61 -1.57 0.00 0.00 -1.05 0.00 0.00 32.46 30.45 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 -1.16 0.38 0.00 2.89 7.64 -1.26 -0.48 113.62 121.63 2k8d n SER 106 Ca 0.18 -0.60 0.00 0.00 1.01 0.00 0.00 58.87 59.46 2k8d n SER 106 Cb 0.69 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 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 0.41 0.34 0.00 -3.43 -0.00 -1.26 -4.93 117.00 108.13 2k8d n LEU 107 Ca 0.00 -0.34 0.00 0.00 -0.00 0.00 0.00 56.01 55.67 2k8d n LEU 107 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.51 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 -0.01 0.50 0.00 1.47 0.00 0.37 -4.96 105.19 102.56 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 -1.97 0.00 -3.48 1.61 2.81 -1.20 -5.09 117.12 109.80 2k8d n MET 109 Ca 0.00 0.00 -0.19 0.00 -1.81 0.00 0.00 57.70 55.70 2k8d n MET 109 Cb 0.00 0.00 -0.12 0.00 -0.71 0.00 0.00 33.22 32.39 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 0.00 -0.32 -0.65 2.03 1.01 -1.26 -4.40 120.40 116.81 2k8d s VAL 110 Ca 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 2k8d s VAL 110 Cb 0.00 -0.77 0.17 0.00 0.00 0.00 0.00 36.38 35.78 2k8d s VAL 110 CO 0.00 -0.30 0.46 -0.60 0.00 0.00 0.00 175.10 174.66 2k8d s ARG 111 N 2.32 2.58 0.00 2.72 3.52 0.11 -3.43 118.95 126.77 2k8d s ARG 111 Ca 0.08 -2.68 -0.24 0.00 -0.13 0.00 0.00 55.73 52.76 2k8d s ARG 111 Cb -0.15 -3.69 -0.05 0.00 -1.56 0.00 0.00 34.95 29.49 2k8d s ARG 111 CO -0.18 -1.18 0.71 0.00 -0.81 0.00 0.00 175.30 173.84 2k8d s GLU 113 N 0.17 2.07 -0.26 0.00 -1.05 0.10 -0.03 118.70 119.70 2k8d s GLU 113 Ca 0.37 1.26 -0.04 0.00 -0.15 0.00 0.00 54.97 56.41 2k8d s GLU 113 Cb -0.19 -1.87 0.10 0.00 -0.44 0.00 0.00 34.13 31.73 2k8d s GLU 113 CO 0.20 -1.79 0.16 0.08 0.95 0.00 0.00 175.26 174.86 2k8d s VAL 114 N -2.81 -0.15 0.13 1.83 1.01 0.16 -3.55 120.40 117.02 2k8d s VAL 114 Ca 0.63 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 62.10 2k8d s VAL 114 Cb -0.19 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 2k8d s VAL 114 CO 0.55 -0.55 -0.09 -0.76 0.00 0.00 0.00 175.10 174.25 2k8d s LEU 115 N 2.17 2.52 -0.34 3.92 1.02 -0.67 -1.53 118.68 125.77 2k8d s LEU 115 Ca 0.08 -1.00 -0.29 0.00 0.02 0.00 0.00 54.13 52.94 2k8d s LEU 115 Cb -0.16 -0.25 0.02 0.00 0.02 0.00 0.00 46.19 45.82 2k8d s LEU 115 CO -0.29 -0.37 1.12 0.00 0.02 0.00 0.00 176.35 176.84 2k8d h ALA 117 N 8.45 1.18 -0.06 0.00 0.00 -0.96 -1.86 119.26 126.02 2k8d h ALA 117 Ca -0.22 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.54 2k8d h ALA 117 Cb 1.07 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 2k8d h ALA 117 CO 1.05 0.23 0.05 -0.09 0.00 0.00 0.00 179.25 180.49 2k8d h ARG 118 N 0.00 0.00 0.00 0.00 9.65 -1.89 -3.43 114.38 118.71 2k8d h ARG 118 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2k8d h ARG 118 Cb 0.52 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.10 2k8d h ARG 118 CO 0.02 0.00 0.00 0.00 2.80 0.00 0.00 179.97 182.79 2k8d n ASP 120 N 0.00 0.00 -4.78 0.00 5.75 -0.74 -4.98 116.55 111.79 2k8d n ASP 120 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 54.79 54.43 2k8d n ASP 120 Cb 0.00 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.07 2k8d n ASP 120 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k8d s ALA 121 N 0.00 2.90 0.07 2.12 0.00 -1.24 -4.70 121.76 120.91 2k8d s ALA 121 Ca 0.00 0.74 -0.14 0.00 0.00 0.00 0.00 51.96 52.57 2k8d s ALA 121 Cb 0.00 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 2k8d s ALA 121 CO 0.00 -0.46 1.24 1.25 0.00 0.00 0.00 175.76 177.79 2k8d h HIS 122 N 1.79 -0.81 0.00 0.00 2.76 -1.93 -3.09 115.15 113.87 2k8d h HIS 122 Ca -0.49 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 57.73 2k8d h HIS 122 Cb 1.23 0.40 0.00 0.00 1.55 0.00 0.00 27.41 30.60 2k8d h HIS 122 CO 0.55 -0.17 0.00 1.28 -1.30 0.00 0.00 177.93 178.29 2k8d n LEU 123 N -3.96 0.00 0.00 0.26 7.99 -1.07 -4.71 117.00 115.51 2k8d n LEU 123 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 2k8d n LEU 123 Cb 0.12 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.43 2k8d n LEU 123 CO -0.05 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.44 2k8d n GLY 124 N 0.00 -0.43 3.82 -0.72 0.00 -0.58 -0.17 105.19 107.11 2k8d n GLY 124 Ca 0.00 0.61 -0.08 0.00 0.00 0.00 0.00 46.02 46.55 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 0.06 -0.03 1.61 -3.43 -0.57 -0.66 115.29 112.26 2k8d s HIS 125 Ca 0.00 -0.69 0.05 0.00 -0.80 0.00 0.00 55.06 53.62 2k8d s HIS 125 Cb 0.00 0.81 -0.01 0.00 -1.43 0.00 0.00 32.58 31.96 2k8d s HIS 125 CO 0.00 -1.50 -0.18 0.54 -2.00 0.00 0.00 174.74 171.60 2k8d s VAL 126 N -2.61 1.47 0.13 -5.38 0.11 0.96 -0.25 120.40 114.84 2k8d s VAL 126 Ca 0.15 -0.76 0.04 0.00 -2.93 0.00 0.00 61.98 58.48 2k8d s VAL 126 Cb -0.05 -1.24 -0.04 0.00 -1.53 0.00 0.00 36.38 33.51 2k8d s VAL 126 CO 0.10 0.42 -0.10 0.72 -3.33 0.00 0.00 175.10 172.91 2k8d s PHE 127 N -0.17 1.19 -1.10 1.54 -0.71 0.09 -1.86 117.98 116.96 2k8d s PHE 127 Ca 0.01 -0.76 -0.22 0.00 -1.04 0.00 0.00 56.93 54.92 2k8d s PHE 127 Cb -0.10 -0.62 -0.03 0.00 -1.21 0.00 0.00 43.02 41.06 2k8d s PHE 127 CO 0.01 0.04 1.84 0.34 -1.34 0.00 0.00 175.22 176.12 2k8d s ASP 128 N -3.02 5.55 0.00 1.98 2.15 -1.22 -0.01 116.67 122.10 2k8d s ASP 128 Ca 0.14 -1.47 0.00 0.00 0.43 0.00 0.00 52.55 51.65 2k8d s ASP 128 Cb 0.02 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.06 2k8d s ASP 128 CO -0.00 -2.46 0.00 -0.67 -0.17 0.00 0.00 175.17 171.87 2k8d n ASP 129 N 12.57 0.00 -4.99 -0.34 2.03 -1.03 -4.95 116.55 119.82 2k8d n ASP 129 Ca 0.43 -1.00 -0.18 0.00 0.52 0.00 0.00 54.79 54.55 2k8d n ASP 129 Cb 0.47 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.89 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 0.00 1.90 0.84 0.27 0.00 0.01 -4.72 107.32 105.62 2k8d s GLY 130 Ca 0.00 -1.57 -0.12 0.00 0.00 0.00 0.00 44.72 43.03 2k8d s GLY 130 CO 0.00 -1.35 1.10 2.56 0.00 0.00 0.00 173.10 175.41 2k8d s PRO 131 N -4.50 1.74 0.67 2.90 0.04 -1.26 -4.07 135.00 130.51 2k8d s PRO 131 Ca 0.56 0.69 -0.17 0.00 0.04 0.00 0.00 61.00 62.13 2k8d s PRO 131 Cb -0.10 -1.87 0.01 0.00 0.04 0.00 0.00 34.50 32.57 2k8d s PRO 131 CO 0.35 -1.88 1.23 1.03 0.04 0.00 0.00 177.00 177.78 2k8d s ARG 132 N -5.08 2.46 0.04 4.56 0.52 -1.26 -0.32 118.95 119.87 2k8d s ARG 132 Ca 0.62 1.87 -0.19 0.00 -0.52 0.00 0.00 55.73 57.51 2k8d s ARG 132 Cb -0.16 -1.86 -0.16 0.00 0.52 0.00 0.00 34.95 33.29 2k8d s ARG 132 CO 0.55 -1.62 1.27 -1.00 0.02 0.00 0.00 175.30 174.52 2k8d h PRO 133 N 0.23 0.45 0.00 3.54 0.13 -1.96 -3.45 132.00 130.95 2k8d h PRO 133 Ca -0.49 -0.31 -0.08 0.00 -0.87 0.00 0.00 66.00 64.25 2k8d h PRO 133 Cb 1.31 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.48 2k8d h PRO 133 CO 0.52 0.93 -0.37 1.79 -0.23 0.00 0.00 178.00 180.64 2k8d h THR 134 N 0.05 0.83 0.00 1.56 1.35 -1.83 -3.47 112.91 111.41 2k8d h THR 134 Ca -0.01 -1.53 0.00 0.00 -0.55 0.00 0.00 66.41 64.33 2k8d h THR 134 Cb 0.94 1.95 0.00 0.00 -1.73 0.00 0.00 68.15 69.31 2k8d h THR 134 CO 0.07 0.36 0.00 0.61 -0.25 0.00 0.00 175.52 176.31 2k8d n GLY 135 N 0.31 0.56 3.27 5.82 0.00 0.56 -4.98 105.19 110.74 2k8d n GLY 135 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.43 1.11 -0.32 1.61 -2.85 -1.26 -0.81 119.74 116.79 2k8d s LYS 136 Ca 0.00 -1.36 0.02 0.00 -1.00 0.00 0.00 55.97 53.63 2k8d s LYS 136 Cb 0.00 -0.92 0.10 0.00 -2.06 0.00 0.00 37.83 34.95 2k8d s LYS 136 CO 0.00 0.16 0.06 0.50 0.10 0.00 0.00 175.35 176.17 2k8d s ARG 137 N -3.08 1.21 0.24 1.78 3.52 0.99 -3.88 118.95 119.73 2k8d s ARG 137 Ca 0.13 -1.48 -0.30 0.00 -0.13 0.00 0.00 55.73 53.96 2k8d s ARG 137 Cb -0.03 -2.68 -0.10 0.00 -1.56 0.00 0.00 34.95 30.59 2k8d s ARG 137 CO 0.03 -0.92 1.37 0.71 -0.81 0.00 0.00 175.30 175.69 2k8d s TYR 138 N 1.22 3.12 -0.04 5.12 1.51 0.86 -0.73 117.35 128.41 2k8d s TYR 138 Ca 0.09 1.16 -0.05 0.00 -1.01 0.00 0.00 57.07 57.25 2k8d s TYR 138 Cb -0.18 -3.71 0.01 0.00 -0.11 0.00 0.00 41.96 37.96 2k8d s TYR 138 CO -0.14 -2.24 0.13 0.00 -1.11 0.00 0.00 175.55 172.19 2k8d s MET 140 N -0.13 0.61 -0.17 0.00 0.23 -0.70 -1.51 119.30 117.63 2k8d s MET 140 Ca -0.02 -1.09 -0.08 0.00 -1.03 0.00 0.00 55.69 53.47 2k8d s MET 140 Cb -0.02 0.22 0.07 0.00 -1.53 0.00 0.00 34.83 33.57 2k8d s MET 140 CO 0.00 -0.12 0.39 1.21 -2.03 0.00 0.00 175.02 174.47 2k8d s ASN 141 N -2.71 -0.34 -0.03 -1.18 2.47 0.76 -4.78 114.94 109.14 2k8d s ASN 141 Ca 0.04 0.89 -0.14 0.00 0.42 0.00 0.00 52.86 54.06 2k8d s ASN 141 Cb 0.05 0.96 0.02 0.00 -1.45 0.00 0.00 41.25 40.84 2k8d s ASN 141 CO -0.09 -0.21 0.31 -0.55 -3.72 0.00 0.00 177.10 172.84 2k8d s SER 142 N 1.92 -0.20 0.64 -4.21 0.15 -1.26 -2.60 113.70 108.13 2k8d s SER 142 Ca -0.06 0.14 0.42 0.00 0.70 0.00 0.00 55.95 57.16 2k8d s SER 142 Cb -0.10 0.35 2.20 0.00 -1.71 0.00 0.00 66.02 66.76 2k8d s SER 142 CO -0.12 -0.41 2.28 0.00 1.20 0.00 0.00 173.24 176.19 2k8d h ALA 143 N 4.05 1.00 0.00 5.45 0.00 -1.98 -1.57 119.26 126.20 2k8d h ALA 143 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2k8d h ALA 143 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2k8d h ALA 143 CO 0.39 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.64 2k8d n ALA 144 N -2.08 1.39 -2.35 0.00 0.00 -1.26 -4.70 120.51 111.51 2k8d n ALA 144 Ca -0.02 0.05 -0.42 0.00 0.00 0.00 0.00 53.44 53.05 2k8d n ALA 144 Cb 0.12 -1.24 -0.03 0.00 0.00 0.00 0.00 19.45 18.30 2k8d n ALA 144 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k8d s LEU 145 N -3.72 3.44 0.38 0.00 1.43 -0.59 -0.00 118.68 119.62 2k8d s LEU 145 Ca 0.03 0.44 0.08 0.00 -1.03 0.00 0.00 54.13 53.64 2k8d s LEU 145 Cb 0.07 -3.15 -0.04 0.00 0.03 0.00 0.00 46.19 43.10 2k8d s LEU 145 CO 0.23 -1.68 0.24 -0.75 0.23 0.00 0.00 176.35 174.62 2k8d s LYS 146 N 5.46 2.44 0.07 1.70 2.20 0.17 -4.95 119.74 126.84 2k8d s LYS 146 Ca 0.56 -1.57 0.08 0.00 -0.36 0.00 0.00 55.97 54.68 2k8d s LYS 146 Cb -0.12 -2.24 -0.03 0.00 -1.51 0.00 0.00 37.83 33.93 2k8d s LYS 146 CO 0.27 -0.03 -0.21 0.12 -0.36 0.00 0.00 175.35 175.13 2k8d s PHE 147 N -2.46 1.85 0.16 4.03 5.36 -1.26 -0.35 117.98 125.31 2k8d s PHE 147 Ca 0.42 -0.39 -0.00 0.00 -0.96 0.00 0.00 56.93 55.99 2k8d s PHE 147 Cb -0.02 -1.06 -0.04 0.00 -0.34 0.00 0.00 43.02 41.56 2k8d s PHE 147 CO 0.25 0.15 0.07 0.96 -1.46 0.00 0.00 175.22 175.19 2k8d s ILE 148 N -0.95 0.20 1.16 3.12 -4.36 -0.30 -4.90 121.20 115.17 2k8d s ILE 148 Ca 0.08 -1.95 -0.17 0.00 -0.26 0.00 0.00 60.65 58.35 2k8d s ILE 148 Cb -0.09 -2.21 0.18 0.00 1.25 0.00 0.00 42.46 41.59 2k8d s ILE 148 CO 0.03 -0.32 0.35 -0.81 0.24 0.00 0.00 174.94 174.43 2k8d n PRO 149 N -0.19 -2.06 0.03 0.37 -0.04 -1.26 -0.83 135.00 131.02 2k8d n PRO 149 Ca -0.03 -0.58 0.22 0.00 -0.04 0.00 0.00 63.50 63.06 2k8d n PRO 149 Cb 0.64 -1.85 0.73 0.00 -0.04 0.00 0.00 33.50 32.99 2k8d n PRO 149 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k8d h ARG 150 N -2.36 0.00 0.00 0.54 -0.00 -1.83 -3.24 114.38 107.50 2k8d h ARG 150 Ca -0.57 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 58.91 2k8d h ARG 150 Cb 1.35 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.32 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 -3.91 0.00 -0.03 7.04 2.03 -1.26 -4.63 116.55 115.79 2k8d n ASP 151 Ca 0.09 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.42 2k8d n ASP 151 Cb 0.67 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 41.10 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 -0.53 2.15 0.26 -0.67 1.13 -1.26 -4.84 117.38 113.62 2k8d n GLN 152 Ca 0.00 -1.54 0.13 0.00 -1.94 0.00 0.00 57.00 53.65 2k8d n GLN 152 Cb 0.00 -1.00 0.72 0.00 0.11 0.00 0.00 30.24 30.07 2k8d n GLN 152 CO 0.00 0.00 0.00 -0.84 -1.44 0.00 0.00 177.06 174.78 2k8d h ILE 153 N 0.69 0.54 0.00 5.09 -0.00 -1.93 -3.52 117.51 118.39 2k8d h ILE 153 Ca 0.00 -0.54 0.00 0.00 -0.00 0.00 0.00 64.86 64.32 2k8d h ILE 153 Cb 0.70 1.36 0.00 0.00 -0.00 0.00 0.00 36.82 38.87 2k8d h ILE 153 CO 0.00 0.11 0.00 0.61 -0.00 0.00 0.00 178.15 178.87