#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 0.48 -0.74 0.03 2.85 -1.26 -4.85 118.16 114.67 2k8d n LYS 5 Ca 0.00 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.96 2k8d n LYS 5 Cb 0.00 -1.25 0.25 0.00 -0.65 0.00 0.00 35.03 33.38 2k8d n LYS 5 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2k8d s ASP 6 N 0.53 0.37 0.16 -5.58 1.01 -1.26 -4.90 116.67 107.00 2k8d s ASP 6 Ca 0.00 0.92 0.10 0.00 0.71 0.00 0.00 52.55 54.28 2k8d s ASP 6 Cb 0.00 -1.36 -0.04 0.00 1.01 0.00 0.00 42.92 42.53 2k8d s ASP 6 CO 0.00 -4.49 -0.22 -0.13 0.21 0.00 0.00 175.17 170.54 2k8d s ARG 7 N -5.07 1.34 -0.12 8.23 1.81 -1.26 -2.54 118.95 121.35 2k8d s ARG 7 Ca 0.69 -1.39 0.01 0.00 -1.72 0.00 0.00 55.73 53.32 2k8d s ARG 7 Cb -0.15 -1.59 -0.01 0.00 -0.45 0.00 0.00 34.95 32.75 2k8d s ARG 7 CO 0.58 0.35 -0.15 0.96 -0.68 0.00 0.00 175.30 176.36 2k8d s ILE 8 N -1.63 2.87 0.46 1.52 -4.36 0.81 -4.82 121.20 116.04 2k8d s ILE 8 Ca 0.15 -0.73 -0.23 0.00 -0.26 0.00 0.00 60.65 59.58 2k8d s ILE 8 Cb -0.08 -2.18 -0.07 0.00 1.25 0.00 0.00 42.46 41.38 2k8d s ILE 8 CO 0.07 0.54 1.16 -2.16 0.24 0.00 0.00 174.94 174.78 2k8d s PRO 9 N 0.24 3.78 -0.28 0.37 0.04 -1.26 -1.10 135.00 136.80 2k8d s PRO 9 Ca -0.10 1.75 0.01 0.00 0.04 0.00 0.00 61.00 62.71 2k8d s PRO 9 Cb -0.16 -2.41 0.08 0.00 0.04 0.00 0.00 34.50 32.05 2k8d s PRO 9 CO 0.06 -0.52 -0.00 0.42 0.04 0.00 0.00 177.00 176.99 2k8d s ILE 10 N -1.56 1.65 -0.54 0.56 1.01 0.46 -4.30 121.20 118.47 2k8d s ILE 10 Ca 0.63 -1.56 -0.17 0.00 0.00 0.00 0.00 60.65 59.55 2k8d s ILE 10 Cb -0.28 -2.03 0.11 0.00 0.01 0.00 0.00 42.46 40.27 2k8d s ILE 10 CO 0.34 -0.32 0.54 -0.36 0.00 0.00 0.00 174.94 175.14 2k8d s PHE 11 N 1.29 3.17 -0.81 3.97 0.40 -1.26 -0.14 117.98 124.60 2k8d s PHE 11 Ca 0.01 -1.11 -0.24 0.00 -0.60 0.00 0.00 56.93 54.99 2k8d s PHE 11 Cb -0.19 -3.75 -0.18 0.00 0.51 0.00 0.00 43.02 39.41 2k8d s PHE 11 CO -0.10 -1.06 1.89 0.43 0.70 0.00 0.00 175.22 177.08 2k8d n SER 12 N 5.58 2.29 -0.11 1.36 7.64 -0.61 -4.78 113.62 124.98 2k8d n SER 12 Ca -0.12 -2.63 -0.07 0.00 1.01 0.00 0.00 58.87 57.05 2k8d n SER 12 Cb 0.41 -1.28 0.01 0.00 -1.01 0.00 0.00 64.21 62.34 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 5.38 1.00 0.00 0.44 3.04 -1.91 0.09 116.25 124.29 2k8d h VAL 13 Ca 0.28 -0.14 0.00 0.00 -1.01 0.00 0.00 66.70 65.83 2k8d h VAL 13 Cb 0.80 0.57 0.00 0.00 -2.01 0.00 0.00 31.29 30.65 2k8d h VAL 13 CO 1.62 0.07 0.00 0.00 -1.01 0.00 0.00 177.57 178.26 2k8d h ALA 14 N 1.18 1.00 -0.06 3.17 0.00 -1.94 -2.08 119.26 120.52 2k8d h ALA 14 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2k8d h ALA 14 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2k8d h ALA 14 CO -0.09 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.79 2k8d n LYS 15 N -2.61 2.31 -4.11 0.00 5.02 -0.79 -5.00 118.16 112.99 2k8d n LYS 15 Ca 0.03 -1.91 -0.46 0.00 -2.02 0.00 0.00 58.31 53.95 2k8d n LYS 15 Cb 0.37 -1.47 0.01 0.00 -0.02 0.00 0.00 35.03 33.93 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 1.30 -3.76 -4.48 4.39 4.05 -0.26 -5.02 115.26 111.48 2k8d n ASN 16 Ca 0.15 -1.30 -0.23 0.00 0.45 0.00 0.00 54.58 53.65 2k8d n ASN 16 Cb 0.59 -1.56 -0.10 0.00 1.23 0.00 0.00 39.78 39.93 2k8d n ASN 16 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 2k8d s ARG 17 N -7.49 1.68 -0.08 1.20 0.52 -0.14 -5.01 118.95 109.63 2k8d s ARG 17 Ca 0.47 -1.87 -0.03 0.00 -0.52 0.00 0.00 55.73 53.77 2k8d s ARG 17 Cb -0.26 -1.33 0.04 0.00 0.52 0.00 0.00 34.95 33.92 2k8d s ARG 17 CO 0.97 0.04 0.15 0.08 0.02 0.00 0.00 175.30 176.56 2k8d s VAL 18 N -2.89 -0.17 -0.15 3.52 1.01 -1.26 -1.58 120.40 118.88 2k8d s VAL 18 Ca 0.32 0.28 -0.03 0.00 0.00 0.00 0.00 61.98 62.55 2k8d s VAL 18 Cb 0.04 -0.27 0.05 0.00 0.00 0.00 0.00 36.38 36.21 2k8d s VAL 18 CO 0.14 0.12 0.04 -1.83 0.00 0.00 0.00 175.10 173.57 2k8d s GLU 19 N 1.80 0.43 0.36 2.72 1.03 0.79 -4.99 118.70 120.84 2k8d s GLU 19 Ca -0.02 -0.15 -0.24 0.00 0.03 0.00 0.00 54.97 54.58 2k8d s GLU 19 Cb -0.12 -1.67 -0.10 0.00 -0.80 0.00 0.00 34.13 31.44 2k8d s GLU 19 CO -0.06 -0.55 0.96 1.41 -1.33 0.00 0.00 175.26 175.69 2k8d s MET 20 N 1.98 4.44 0.07 -4.83 1.75 -1.26 -0.41 119.30 121.04 2k8d s MET 20 Ca 0.02 1.29 0.01 0.00 -1.25 0.00 0.00 55.69 55.75 2k8d s MET 20 Cb -0.15 -2.60 -0.04 0.00 2.84 0.00 0.00 34.83 34.89 2k8d s MET 20 CO -0.07 0.15 -0.05 0.08 -0.65 0.00 0.00 175.02 174.47 2k8d s VAL 21 N -1.78 0.45 0.98 10.11 1.01 -0.26 -4.91 120.40 126.00 2k8d s VAL 21 Ca 0.54 -1.65 -0.12 0.00 0.00 0.00 0.00 61.98 60.75 2k8d s VAL 21 Cb -0.16 -1.31 0.18 0.00 0.00 0.00 0.00 36.38 35.09 2k8d s VAL 21 CO 0.21 -0.80 1.08 -1.61 0.00 0.00 0.00 175.10 173.98 2k8d s GLU 22 N -3.27 0.52 1.23 2.72 8.01 -1.26 -0.13 118.70 126.53 2k8d s GLU 22 Ca 0.04 0.92 -0.17 0.00 0.01 0.00 0.00 54.97 55.77 2k8d s GLU 22 Cb 0.02 -1.72 0.30 0.00 -4.31 0.00 0.00 34.13 28.43 2k8d s GLU 22 CO -0.05 -2.77 1.02 1.03 0.01 0.00 0.00 175.26 174.50 2k8d s ARG 23 N -4.76 -1.46 -0.55 1.61 1.81 -1.05 -4.42 118.95 110.13 2k8d s ARG 23 Ca 0.66 0.36 -0.27 0.00 -1.72 0.00 0.00 55.73 54.75 2k8d s ARG 23 Cb -0.21 -1.53 -0.00 0.00 -0.45 0.00 0.00 34.95 32.76 2k8d s ARG 23 CO 0.59 -3.96 1.63 -1.50 -0.68 0.00 0.00 175.30 171.38 2k8d s ILE 24 N -2.60 3.57 -0.26 1.52 -1.16 -1.26 -4.90 121.20 116.11 2k8d s ILE 24 Ca 0.69 0.45 -0.02 0.00 -0.51 0.00 0.00 60.65 61.25 2k8d s ILE 24 Cb -0.17 -4.16 0.08 0.00 0.61 0.00 0.00 42.46 38.82 2k8d s ILE 24 CO 0.60 -1.00 0.08 -1.61 -2.81 0.00 0.00 174.94 170.20 2k8d s GLU 25 N 6.11 0.55 0.34 3.50 2.02 -1.26 -4.92 118.70 125.04 2k8d s GLU 25 Ca 0.61 -0.69 0.05 0.00 0.02 0.00 0.00 54.97 54.96 2k8d s GLU 25 Cb -0.13 -1.84 -0.03 0.00 0.10 0.00 0.00 34.13 32.23 2k8d s GLU 25 CO 0.24 -0.86 0.21 -0.51 0.02 0.00 0.00 175.26 174.36 2k8d s LEU 26 N 1.83 1.75 0.34 1.80 1.43 -1.26 -5.17 118.68 119.39 2k8d s LEU 26 Ca 0.05 -1.68 0.08 0.00 -1.03 0.00 0.00 54.13 51.56 2k8d s LEU 26 Cb -0.17 0.32 -0.04 0.00 0.03 0.00 0.00 46.19 46.33 2k8d s LEU 26 CO -0.21 -0.99 0.14 -0.55 0.23 0.00 0.00 176.35 174.97 2k8d s SER 27 N -3.41 4.70 0.57 2.29 0.15 -1.26 -5.03 113.70 111.71 2k8d s SER 27 Ca 0.36 -0.76 0.27 0.00 0.70 0.00 0.00 55.95 56.52 2k8d s SER 27 Cb 0.03 -0.75 1.51 0.00 -1.71 0.00 0.00 66.02 65.11 2k8d s SER 27 CO 0.22 -0.29 2.01 0.44 1.20 0.00 0.00 173.24 176.82 2k8d h ASP 28 N 1.55 0.00 0.60 5.45 5.19 -2.02 -0.47 116.42 126.72 2k8d h ASP 28 Ca -0.44 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 55.91 2k8d h ASP 28 Cb 1.25 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.75 2k8d h ASP 28 CO 0.63 0.00 -0.32 0.44 -3.12 0.00 0.00 179.24 176.87 2k8d h ASP 29 N 0.00 0.00 -0.18 6.45 3.32 -2.03 -3.18 116.42 120.80 2k8d h ASP 29 Ca 0.17 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.09 2k8d h ASP 29 Cb 0.83 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.38 2k8d h ASP 29 CO -0.00 0.32 -0.39 -0.33 -1.72 0.00 0.00 179.24 177.12 2k8d h GLU 30 N 0.00 0.58 -0.09 3.56 4.39 -1.48 -3.26 114.58 118.28 2k8d h GLU 30 Ca -0.00 -0.39 0.00 0.00 0.34 0.00 0.00 59.36 59.31 2k8d h GLU 30 Cb 0.70 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.41 2k8d h GLU 30 CO 0.04 1.00 0.00 0.91 -1.16 0.00 0.00 179.01 179.80 2k8d n TRP 31 N -4.27 0.00 -0.84 4.33 7.02 -1.20 -0.70 117.44 121.78 2k8d n TRP 31 Ca -0.06 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.42 2k8d n TRP 31 Cb 0.53 -0.01 0.00 0.00 -2.42 0.00 0.00 31.31 29.41 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 0.42 -0.09 0.00 -0.99 0.00 -1.23 -4.74 116.66 110.03 2k8d n ARG 32 Ca 0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 57.85 57.71 2k8d n ARG 32 Cb 0.02 -0.58 0.00 0.00 -0.00 0.00 0.00 32.46 31.90 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 -0.01 3.55 0.00 2.89 0.28 0.12 -4.77 120.64 122.70 2k8d n GLU 33 Ca 0.00 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 57.05 2k8d n GLU 33 Cb 0.24 -0.53 -0.00 0.00 1.43 0.00 0.00 31.44 32.58 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 -0.45 0.00 -1.82 3.84 -5.35 -0.41 -5.02 119.36 110.15 2k8d n ILE 34 Ca 0.00 -0.39 -0.29 0.00 -0.27 0.00 0.00 62.75 61.80 2k8d n ILE 34 Cb 0.00 1.12 0.13 0.00 -1.74 0.00 0.00 39.64 39.15 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 -1.67 2.42 0.56 7.28 1.43 -1.26 -5.04 118.68 122.41 2k8d s LEU 35 Ca 0.09 0.66 -0.15 0.00 -1.03 0.00 0.00 54.13 53.69 2k8d s LEU 35 Cb 0.09 -2.96 -0.06 0.00 0.03 0.00 0.00 46.19 43.28 2k8d s LEU 35 CO 0.27 -2.32 1.01 -1.81 0.23 0.00 0.00 176.35 173.73 2k8d s ASP 36 N -4.56 6.32 0.00 2.29 1.01 -1.26 -4.90 116.67 115.58 2k8d s ASP 36 Ca 0.66 1.60 0.00 0.00 0.71 0.00 0.00 52.55 55.52 2k8d s ASP 36 Cb -0.09 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.33 2k8d s ASP 36 CO 0.51 -0.80 0.28 -0.81 0.21 0.00 0.00 175.17 174.57 2k8d n PRO 37 N -1.93 0.43 0.00 8.23 -0.04 -1.26 -0.66 135.00 139.76 2k8d n PRO 37 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 2k8d n PRO 37 Cb 0.54 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.85 2k8d n PRO 37 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2k8d n GLU 38 N 0.04 1.95 -0.12 0.54 2.13 -1.26 -4.78 120.64 119.13 2k8d n GLU 38 Ca 0.00 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 2k8d n GLU 38 Cb 0.07 -0.80 0.05 0.00 0.27 0.00 0.00 31.44 31.03 2k8d n GLU 38 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k8d h ALA 39 N 0.00 0.79 -0.45 4.31 0.00 -1.20 -0.05 119.26 122.66 2k8d h ALA 39 Ca 0.00 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.55 2k8d h ALA 39 Cb 0.59 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 2k8d h ALA 39 CO 0.00 0.65 0.27 0.74 0.00 0.00 0.00 179.25 180.92 2k8d h PHE 40 N 0.77 0.51 -0.02 0.00 0.04 -1.59 0.33 116.94 116.98 2k8d h PHE 40 Ca 0.10 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.86 2k8d h PHE 40 Cb 0.76 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.75 2k8d h PHE 40 CO 0.05 0.30 -0.08 0.07 -0.60 0.00 0.00 178.31 178.04 2k8d h ARG 41 N 0.55 0.09 -1.04 1.51 0.11 -1.80 -3.02 114.38 110.78 2k8d h ARG 41 Ca 0.18 -0.07 0.29 0.00 0.10 0.00 0.00 59.98 60.47 2k8d h ARG 41 Cb -0.00 0.01 -0.06 0.00 1.11 0.00 0.00 29.97 31.03 2k8d h ARG 41 CO -0.07 0.72 0.72 0.28 0.10 0.00 0.00 179.97 181.72 2k8d h VAL 42 N -0.52 0.50 0.00 0.08 2.07 -0.81 0.22 116.25 117.80 2k8d h VAL 42 Ca -0.00 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 2k8d h VAL 42 Cb 0.73 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2k8d h VAL 42 CO 0.02 0.03 -0.01 0.00 0.02 0.00 0.00 177.57 177.62 2k8d h ALA 43 N 1.53 1.53 0.00 1.67 0.00 -0.21 0.02 119.26 123.80 2k8d h ALA 43 Ca 0.53 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 55.17 2k8d h ALA 43 Cb 1.80 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.54 2k8d h ALA 43 CO -0.10 0.02 -1.91 2.89 0.00 0.00 0.00 179.25 180.15 2k8d n ARG 44 N -3.87 0.65 0.00 0.00 1.85 0.77 -4.66 116.66 111.40 2k8d n ARG 44 Ca -0.03 0.11 0.04 0.00 -1.00 0.00 0.00 57.85 56.97 2k8d n ARG 44 Cb 0.10 -1.67 0.03 0.00 -1.05 0.00 0.00 32.46 29.87 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 -2.81 0.35 -4.27 2.89 2.85 -0.85 -4.99 118.16 111.33 2k8d n LYS 45 Ca -0.19 -0.92 -0.36 0.00 -1.05 0.00 0.00 58.31 55.78 2k8d n LYS 45 Cb 0.98 -1.14 -0.04 0.00 -0.65 0.00 0.00 35.03 34.18 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 0.36 -1.40 0.00 0.58 0.00 -0.06 -2.82 120.51 117.17 2k8d n ALA 46 Ca 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2k8d n ALA 46 Cb 0.19 -2.83 0.00 0.00 0.00 0.00 0.00 19.45 16.82 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 -1.49 2.96 2.95 0.00 0.00 -1.23 -4.42 105.19 103.95 2k8d n GLY 47 Ca 0.01 -0.83 -0.15 0.00 0.00 0.00 0.00 46.02 45.06 2k8d n GLY 47 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2k8d s THR 48 N 0.00 -0.34 0.04 2.61 -1.32 -1.13 -4.73 115.64 110.77 2k8d s THR 48 Ca 0.00 0.30 -0.21 0.00 -1.21 0.00 0.00 61.69 60.56 2k8d s THR 48 Cb 0.00 -0.39 -0.11 0.00 -1.51 0.00 0.00 72.50 70.49 2k8d s THR 48 CO 0.00 0.13 1.33 -0.33 -2.21 0.00 0.00 174.62 173.53 2k8d h GLU 49 N 8.25 -0.65 -7.26 7.08 5.08 -1.95 -3.43 114.58 121.70 2k8d h GLU 49 Ca -0.15 0.04 -0.51 0.00 -1.00 0.00 0.00 59.36 57.74 2k8d h GLU 49 Cb 1.12 0.15 0.11 0.00 0.50 0.00 0.00 28.75 30.63 2k8d h GLU 49 CO 0.15 -0.43 0.35 -1.25 -1.00 0.00 0.00 179.01 176.83 2k8d s PRO 50 N -4.69 2.56 0.50 2.33 0.04 -1.26 -4.94 135.00 129.54 2k8d s PRO 50 Ca -0.11 1.26 0.33 0.00 0.04 0.00 0.00 61.00 62.53 2k8d s PRO 50 Cb 0.02 -1.93 1.52 0.00 0.04 0.00 0.00 34.50 34.15 2k8d s PRO 50 CO 0.35 -1.42 1.99 -1.00 0.04 0.00 0.00 177.00 176.96 2k8d h PRO 51 N -0.54 0.00 -3.30 0.56 0.13 -2.03 -3.43 132.00 123.39 2k8d h PRO 51 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 2k8d h PRO 51 Cb 1.24 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.28 2k8d h PRO 51 CO 0.53 0.00 0.05 -0.59 -0.23 0.00 0.00 178.00 177.76 2k8d s PHE 52 N -3.70 -0.04 0.00 1.56 -0.12 -1.26 -5.07 117.98 109.36 2k8d s PHE 52 Ca 0.00 -0.33 0.00 0.00 -0.05 0.00 0.00 56.93 56.55 2k8d s PHE 52 Cb 0.10 0.43 0.00 0.00 -0.63 0.00 0.00 43.02 42.92 2k8d s PHE 52 CO 0.45 -1.01 0.41 -2.37 -0.05 0.00 0.00 175.22 172.65 2k8d n THR 53 N -0.38 0.03 0.00 -4.49 5.66 -1.26 -5.05 114.28 108.78 2k8d n THR 53 Ca -0.07 -0.03 0.00 0.00 -3.05 0.00 0.00 64.05 60.90 2k8d n THR 53 Cb 0.62 1.19 0.00 0.00 -1.55 0.00 0.00 70.33 70.59 2k8d n THR 53 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2k8d n GLY 54 N -0.01 -0.83 2.83 1.09 0.00 -1.26 -5.12 105.19 101.88 2k8d n GLY 54 Ca 0.00 -1.15 -0.14 0.00 0.00 0.00 0.00 46.02 44.73 2k8d n GLY 54 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k8d s LYS 55 N -2.00 0.58 0.25 1.61 2.20 -1.26 -5.14 119.74 115.98 2k8d s LYS 55 Ca 0.00 -0.56 -0.21 0.00 -0.36 0.00 0.00 55.97 54.84 2k8d s LYS 55 Cb 0.00 -0.57 0.03 0.00 -1.51 0.00 0.00 37.83 35.78 2k8d s LYS 55 CO 0.00 -1.15 0.68 1.52 -0.36 0.00 0.00 175.35 176.04 2k8d s TYR 56 N 1.76 -0.23 -0.41 4.03 1.13 -1.26 -5.13 117.35 117.24 2k8d s TYR 56 Ca 0.15 -0.17 0.02 0.00 -1.41 0.00 0.00 57.07 55.66 2k8d s TYR 56 Cb -0.14 0.64 0.19 0.00 -1.10 0.00 0.00 41.96 41.56 2k8d s TYR 56 CO -0.12 -1.14 0.80 -1.58 -2.51 0.00 0.00 175.55 171.01 2k8d s HIS 57 N -3.89 -1.25 -0.50 -3.49 2.46 -1.26 -5.12 115.29 102.24 2k8d s HIS 57 Ca 0.09 -0.05 0.03 0.00 0.47 0.00 0.00 55.06 55.60 2k8d s HIS 57 Cb -0.05 0.24 0.14 0.00 -0.13 0.00 0.00 32.58 32.78 2k8d s HIS 57 CO 0.03 -0.90 0.27 -0.51 -2.47 0.00 0.00 174.74 171.15 2k8d s ASP 58 N 1.49 4.04 0.14 9.88 1.01 -1.26 -5.03 116.67 126.94 2k8d s ASP 58 Ca 0.20 -2.92 0.01 0.00 0.71 0.00 0.00 52.55 50.56 2k8d s ASP 58 Cb 0.01 -1.38 -0.00 0.00 1.01 0.00 0.00 42.92 42.55 2k8d s ASP 58 CO -0.09 -0.23 0.15 0.18 0.21 0.00 0.00 175.17 175.39 2k8d n LEU 59 N 3.20 0.00 -3.95 1.23 4.77 -1.26 -5.20 117.00 115.80 2k8d n LEU 59 Ca 0.08 -1.20 -0.08 0.00 -0.03 0.00 0.00 56.01 54.78 2k8d n LEU 59 Cb 0.33 0.84 -0.04 0.00 -2.33 0.00 0.00 43.42 42.22 2k8d n LEU 59 CO 0.29 -0.23 0.29 -2.28 -1.33 0.00 0.00 177.39 174.13 2k8d s HIS 60 N -3.34 0.15 -1.28 -1.77 5.65 -1.26 -4.88 115.29 108.56 2k8d s HIS 60 Ca 0.14 -0.55 -0.18 0.00 0.25 0.00 0.00 55.06 54.72 2k8d s HIS 60 Cb 0.00 0.39 0.01 0.00 -1.18 0.00 0.00 32.58 31.80 2k8d s HIS 60 CO 0.10 -1.09 1.97 -3.47 -0.65 0.00 0.00 174.74 171.60 2k8d n ASP 61 N -0.41 3.99 -4.03 9.88 -0.08 -1.26 -4.79 116.55 119.86 2k8d n ASP 61 Ca -0.02 -2.83 -0.08 0.00 -1.51 0.00 0.00 54.79 50.34 2k8d n ASP 61 Cb 0.61 -1.63 -0.09 0.00 2.34 0.00 0.00 41.12 42.35 2k8d n ASP 61 CO 0.00 0.00 0.00 1.51 0.12 0.00 0.00 177.20 178.83 2k8d s ASP 62 N 4.20 0.30 0.00 1.67 1.47 -1.26 -5.02 116.67 118.03 2k8d s ASP 62 Ca 0.53 -0.94 0.00 0.00 1.18 0.00 0.00 52.55 53.32 2k8d s ASP 62 Cb 0.09 0.29 0.00 0.00 -0.34 0.00 0.00 42.92 42.96 2k8d s ASP 62 CO 0.03 -0.70 0.00 0.61 0.68 0.00 0.00 175.17 175.79 2k8d n GLY 63 N -0.02 -1.18 3.23 2.12 0.00 -1.26 -4.91 105.19 103.16 2k8d n GLY 63 Ca -0.11 -1.62 -0.13 0.00 0.00 0.00 0.00 46.02 44.16 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 -1.63 0.57 0.47 -0.61 -4.36 0.09 -3.87 121.20 111.86 2k8d s ILE 64 Ca 0.00 -1.97 -0.22 0.00 -0.26 0.00 0.00 60.65 58.21 2k8d s ILE 64 Cb 0.00 -2.11 -0.08 0.00 1.25 0.00 0.00 42.46 41.52 2k8d s ILE 64 CO 0.00 -0.47 1.09 -0.31 0.24 0.00 0.00 174.94 175.49 2k8d s TYR 65 N -3.73 2.98 -0.14 1.37 2.02 -1.04 -0.93 117.35 117.88 2k8d s TYR 65 Ca 0.24 1.58 -0.04 0.00 -0.37 0.00 0.00 57.07 58.48 2k8d s TYR 65 Cb 0.06 -3.20 0.06 0.00 -0.40 0.00 0.00 41.96 38.49 2k8d s TYR 65 CO 0.04 -1.07 0.11 0.50 -1.57 0.00 0.00 175.55 173.56 2k8d s ARG 66 N -2.92 0.05 -0.62 -0.62 3.00 0.41 -1.65 118.95 116.60 2k8d s ARG 66 Ca 0.65 0.11 -0.26 0.00 -1.00 0.00 0.00 55.73 55.22 2k8d s ARG 66 Cb -0.22 -1.35 -0.10 0.00 0.00 0.00 0.00 34.95 33.27 2k8d s ARG 66 CO 0.27 -0.57 2.42 0.00 0.00 0.00 0.00 175.30 177.41 2k8d h ILE 68 N 7.70 0.00 -0.05 0.00 2.10 -1.32 0.27 117.51 126.22 2k8d h ILE 68 Ca -0.14 -0.16 0.00 0.00 1.08 0.00 0.00 64.86 65.65 2k8d h ILE 68 Cb 1.16 0.88 0.00 0.00 -1.09 0.00 0.00 36.82 37.76 2k8d h ILE 68 CO 1.10 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 178.17 2k8d n GLY 71 N 0.00 0.70 3.88 0.00 0.00 0.88 -4.95 105.19 105.71 2k8d n GLY 71 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.36 5.31 0.23 2.61 2.01 -1.21 -4.88 115.64 117.35 2k8d s THR 72 Ca 0.00 0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.22 2k8d s THR 72 Cb 0.00 -3.55 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 2k8d s THR 72 CO 0.00 0.42 0.40 1.51 -0.69 0.00 0.00 174.62 176.26 2k8d s ASP 73 N -1.57 6.36 0.00 3.53 -4.77 -1.26 -0.01 116.67 118.95 2k8d s ASP 73 Ca 0.25 0.35 0.00 0.00 -3.30 0.00 0.00 52.55 49.86 2k8d s ASP 73 Cb -0.13 -1.99 0.00 0.00 -1.09 0.00 0.00 42.92 39.71 2k8d s ASP 73 CO 0.14 -0.08 0.00 0.00 0.70 0.00 0.00 175.17 175.93 2k8d n LEU 74 N -0.92 0.00 -4.61 2.11 -0.00 -0.66 -4.89 117.00 108.04 2k8d n LEU 74 Ca -0.05 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.53 2k8d n LEU 74 Cb 0.55 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.94 2k8d n LEU 74 CO 0.48 0.00 1.82 -0.36 -0.00 0.00 0.00 177.39 179.33 2k8d s PHE 75 N 0.58 1.18 -0.11 1.47 0.08 -1.26 -4.75 117.98 115.17 2k8d s PHE 75 Ca 0.00 0.44 -0.29 0.00 0.12 0.00 0.00 56.93 57.20 2k8d s PHE 75 Cb 0.00 -3.96 -0.06 0.00 -0.57 0.00 0.00 43.02 38.43 2k8d s PHE 75 CO 0.00 -4.22 1.91 -0.51 -0.10 0.00 0.00 175.22 172.30 2k8d s ASP 76 N 7.90 6.18 0.04 1.36 1.01 -1.26 -2.51 116.67 129.39 2k8d s ASP 76 Ca 0.99 2.13 0.02 0.00 0.71 0.00 0.00 52.55 56.41 2k8d s ASP 76 Cb -0.34 -2.53 0.12 0.00 1.01 0.00 0.00 42.92 41.19 2k8d s ASP 76 CO 0.36 -1.35 0.98 -1.20 0.21 0.00 0.00 175.17 174.17 2k8d n SER 77 N 8.89 0.06 0.27 0.27 7.64 -1.25 -0.20 113.62 129.29 2k8d n SER 77 Ca 0.22 0.44 0.13 0.00 1.01 0.00 0.00 58.87 60.66 2k8d n SER 77 Cb 0.43 -0.44 0.76 0.00 -1.01 0.00 0.00 64.21 63.96 2k8d n SER 77 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 2k8d h GLU 78 N 0.00 0.00 -0.84 1.43 9.09 -1.91 -0.44 114.58 121.91 2k8d h GLU 78 Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.39 2k8d h GLU 78 Cb 0.21 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.29 2k8d h GLU 78 CO 0.00 0.08 0.02 0.25 0.05 0.00 0.00 179.01 179.42 2k8d n THR 79 N -3.81 1.25 -4.65 -1.06 -2.24 0.72 -4.84 114.28 99.64 2k8d n THR 79 Ca -0.02 -0.62 -0.33 0.00 -2.27 0.00 0.00 64.05 60.81 2k8d n THR 79 Cb 0.18 -0.44 -0.06 0.00 -2.10 0.00 0.00 70.33 67.91 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 -1.73 2.23 0.34 -0.78 2.20 -0.17 -4.65 119.74 117.18 2k8d s LYS 80 Ca 0.23 -2.39 0.08 0.00 -0.36 0.00 0.00 55.97 53.54 2k8d s LYS 80 Cb 0.18 -1.60 -0.05 0.00 -1.51 0.00 0.00 37.83 34.85 2k8d s LYS 80 CO 0.07 -0.44 0.09 -0.06 -0.36 0.00 0.00 175.35 174.64 2k8d s PHE 81 N -2.89 2.64 0.18 4.03 0.40 -1.26 -4.93 117.98 116.15 2k8d s PHE 81 Ca 0.06 -0.42 0.00 0.00 -0.60 0.00 0.00 56.93 55.97 2k8d s PHE 81 Cb 0.00 -1.59 0.00 0.00 0.51 0.00 0.00 43.02 41.94 2k8d s PHE 81 CO 0.04 0.39 0.00 -3.47 0.70 0.00 0.00 175.22 172.88 2k8d n ASP 82 N -1.07 -0.80 -4.55 1.36 -0.08 -1.26 -4.44 116.55 105.71 2k8d n ASP 82 Ca -0.03 0.32 -0.31 0.00 -1.51 0.00 0.00 54.79 53.25 2k8d n ASP 82 Cb 0.62 0.90 0.17 0.00 2.34 0.00 0.00 41.12 45.15 2k8d n ASP 82 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2k8d n SER 83 N -2.98 -0.79 0.00 1.67 7.64 -1.26 -1.01 113.62 116.90 2k8d n SER 83 Ca 0.00 0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.17 2k8d n SER 83 Cb 0.00 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 61.86 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 0.82 1.50 0.00 0.23 0.00 -1.26 -3.47 105.19 103.01 2k8d n GLY 84 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.67 2.61 5.66 -1.25 -5.05 114.28 114.58 2k8d n THR 85 Ca 0.00 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.93 2k8d n THR 85 Cb 0.00 0.36 -0.02 0.00 -1.55 0.00 0.00 70.33 69.12 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 0.27 3.72 1.09 0.00 -0.18 -4.90 105.19 105.19 2k8d n GLY 86 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.90 2.04 0.00 1.61 1.48 -1.26 -4.75 118.94 116.16 2k8d s TRP 87 Ca 0.00 1.65 -0.05 0.00 -1.06 0.00 0.00 56.10 56.64 2k8d s TRP 87 Cb 0.00 -3.36 -0.20 0.00 -1.16 0.00 0.00 33.47 28.75 2k8d s TRP 87 CO 0.00 -2.48 3.20 -0.35 -4.06 0.00 0.00 176.95 173.26 2k8d n PRO 88 N -3.23 1.74 -3.83 3.25 -0.04 -1.26 -4.39 135.00 127.24 2k8d n PRO 88 Ca 0.12 -0.76 -0.12 0.00 -0.04 0.00 0.00 63.50 62.70 2k8d n PRO 88 Cb 0.51 -1.77 -0.11 0.00 -0.04 0.00 0.00 33.50 32.09 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 2.01 -0.10 0.36 3.54 1.04 -1.26 -1.39 113.70 117.91 2k8d s SER 89 Ca 0.51 0.11 -0.15 0.00 0.48 0.00 0.00 55.95 56.89 2k8d s SER 89 Cb 0.24 0.30 0.04 0.00 0.10 0.00 0.00 66.02 66.70 2k8d s SER 89 CO 0.00 -0.21 0.74 0.72 0.98 0.00 0.00 173.24 175.48 2k8d s PHE 90 N -0.58 0.15 0.00 5.02 -0.71 -0.24 -4.23 117.98 117.38 2k8d s PHE 90 Ca -0.07 -0.75 0.00 0.00 -1.04 0.00 0.00 56.93 55.07 2k8d s PHE 90 Cb -0.04 0.73 0.00 0.00 -1.21 0.00 0.00 43.02 42.50 2k8d s PHE 90 CO 0.01 -1.47 0.31 2.48 -1.34 0.00 0.00 175.22 175.21 2k8d n TYR 91 N -0.52 0.00 -3.62 3.49 0.18 -1.26 -0.18 117.16 115.25 2k8d n TYR 91 Ca -0.07 -0.01 -0.06 0.00 1.88 0.00 0.00 57.90 59.64 2k8d n TYR 91 Cb 0.60 -0.00 0.02 0.00 -0.38 0.00 0.00 39.34 39.58 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 -0.01 -1.65 -4.13 9.48 -0.08 -1.26 -4.39 116.55 114.51 2k8d n ASP 92 Ca 0.00 -2.10 -0.10 0.00 -1.51 0.00 0.00 54.79 51.08 2k8d n ASP 92 Cb 0.12 2.73 -0.10 0.00 2.34 0.00 0.00 41.12 46.22 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 -2.30 0.09 0.07 5.18 -7.23 -1.26 -4.79 120.40 110.15 2k8d s VAL 93 Ca 0.13 -1.86 -0.29 0.00 -1.81 0.00 0.00 61.98 58.14 2k8d s VAL 93 Cb -0.03 -2.06 -0.18 0.00 0.56 0.00 0.00 36.38 34.67 2k8d s VAL 93 CO 0.08 -0.40 1.60 1.62 -0.31 0.00 0.00 175.10 177.68 2k8d h VAL 94 N 2.81 0.55 0.00 1.32 3.04 -1.90 -3.49 116.25 118.58 2k8d h VAL 94 Ca -0.35 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 65.26 2k8d h VAL 94 Cb 1.21 0.59 0.00 0.00 -2.01 0.00 0.00 31.29 31.08 2k8d h VAL 94 CO 0.57 0.02 0.00 -0.24 -1.01 0.00 0.00 177.57 176.91 2k8d n SER 95 N -5.33 0.00 -4.51 3.17 2.88 -1.26 -4.89 113.62 103.67 2k8d n SER 95 Ca -0.11 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.06 2k8d n SER 95 Cb 0.27 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.70 2k8d n SER 95 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2k8d n GLU 96 N -0.22 2.49 0.01 -1.46 1.02 -1.26 -4.38 120.64 116.84 2k8d n GLU 96 Ca 0.00 -2.88 0.00 0.00 -0.02 0.00 0.00 57.16 54.26 2k8d n GLU 96 Cb 0.00 -3.56 0.00 0.00 -0.02 0.00 0.00 31.44 27.86 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 10.64 -0.10 0.11 -0.32 1.44 -1.26 -4.83 115.22 120.90 2k8d n HIS 97 Ca 0.48 0.02 0.02 0.00 -2.01 0.00 0.00 57.72 56.22 2k8d n HIS 97 Cb 0.46 0.17 0.02 0.00 0.12 0.00 0.00 29.99 30.76 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 -2.90 1.44 -4.25 4.39 4.05 -1.26 -4.49 115.26 112.24 2k8d n ASN 98 Ca 0.00 -1.28 -0.22 0.00 0.45 0.00 0.00 54.58 53.53 2k8d n ASN 98 Cb 0.29 -0.01 -0.13 0.00 1.23 0.00 0.00 39.78 41.17 2k8d n ASN 98 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 177.26 173.70 2k8d s ILE 99 N -0.40 1.53 0.01 -1.44 -1.16 -1.26 -0.31 121.20 118.18 2k8d s ILE 99 Ca 0.05 -1.43 0.03 0.00 -0.51 0.00 0.00 60.65 58.78 2k8d s ILE 99 Cb 0.03 -1.40 -0.01 0.00 0.61 0.00 0.00 42.46 41.68 2k8d s ILE 99 CO 0.04 -0.08 -0.08 -0.75 -2.81 0.00 0.00 174.94 171.26 2k8d s LYS 100 N -1.78 0.61 0.16 3.50 2.36 0.92 -4.35 119.74 121.16 2k8d s LYS 100 Ca 0.04 -0.44 0.11 0.00 -2.55 0.00 0.00 55.97 53.13 2k8d s LYS 100 Cb -0.10 -0.54 -0.04 0.00 -1.05 0.00 0.00 37.83 36.10 2k8d s LYS 100 CO 0.03 0.14 -0.25 -0.51 1.55 0.00 0.00 175.35 176.31 2k8d s LEU 101 N -0.64 2.38 -0.08 5.43 1.02 -1.26 -1.17 118.68 124.35 2k8d s LEU 101 Ca -0.00 -0.80 0.01 0.00 0.02 0.00 0.00 54.13 53.35 2k8d s LEU 101 Cb -0.05 -1.15 0.02 0.00 0.02 0.00 0.00 46.19 45.03 2k8d s LEU 101 CO 0.00 0.13 -0.10 -0.13 0.02 0.00 0.00 176.35 176.27 2k8d s ARG 102 N -2.36 1.61 0.40 1.70 3.00 -1.25 -4.96 118.95 117.09 2k8d s ARG 102 Ca 0.16 -0.35 -0.26 0.00 0.00 0.00 0.00 55.73 55.29 2k8d s ARG 102 Cb -0.09 -1.45 -0.09 0.00 0.00 0.00 0.00 34.95 33.32 2k8d s ARG 102 CO 0.08 -0.08 1.24 -2.00 0.00 0.00 0.00 175.30 174.54 2k8d s GLU 103 N 1.04 4.03 0.27 3.54 -6.30 -1.26 -0.90 118.70 119.12 2k8d s GLU 103 Ca -0.08 2.02 -0.04 0.00 -2.50 0.00 0.00 54.97 54.37 2k8d s GLU 103 Cb -0.15 -2.75 -0.02 0.00 0.00 0.00 0.00 34.13 31.22 2k8d s GLU 103 CO -0.01 -0.39 0.36 0.34 0.02 0.00 0.00 175.26 175.57 2k8d s ASP 104 N -0.89 0.46 -0.23 -1.70 2.15 -0.97 -4.90 116.67 110.58 2k8d s ASP 104 Ca 0.56 -1.32 0.14 0.00 0.43 0.00 0.00 52.55 52.37 2k8d s ASP 104 Cb -0.35 0.55 0.62 0.00 -0.30 0.00 0.00 42.92 43.44 2k8d s ASP 104 CO 0.45 -1.09 1.56 -2.11 -0.17 0.00 0.00 175.17 173.81 2k8d n ARG 105 N -0.43 3.26 0.00 4.34 0.00 -1.26 0.10 116.66 122.67 2k8d n ARG 105 Ca 0.01 -2.99 0.00 0.00 -0.00 0.00 0.00 57.85 54.87 2k8d n ARG 105 Cb 0.63 -1.99 0.00 0.00 -0.00 0.00 0.00 32.46 31.10 2k8d n ARG 105 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2k8d n SER 106 N -0.35 0.57 0.00 2.89 7.64 -1.26 -0.24 113.62 122.87 2k8d n SER 106 Ca 0.28 -0.69 0.00 0.00 1.01 0.00 0.00 58.87 59.47 2k8d n SER 106 Cb 1.07 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 64.09 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 0.49 0.19 0.00 -3.43 -0.00 -1.26 -4.94 117.00 108.05 2k8d n LEU 107 Ca 0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 56.01 55.69 2k8d n LEU 107 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.53 2k8d n LEU 107 CO 0.00 0.05 0.00 0.61 -0.00 0.00 0.00 177.39 178.05 2k8d n GLY 108 N 0.25 0.68 0.00 1.47 0.00 0.66 -4.99 105.19 103.26 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 -1.47 0.00 -3.57 1.61 2.81 -1.21 -5.09 117.12 110.21 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 0.08 -0.22 -0.46 2.03 1.01 -1.26 -4.40 120.40 117.17 2k8d s VAL 110 Ca 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 61.98 61.96 2k8d s VAL 110 Cb 0.00 -0.57 0.14 0.00 0.00 0.00 0.00 36.38 35.95 2k8d s VAL 110 CO 0.00 -0.17 0.27 -0.60 0.00 0.00 0.00 175.10 174.60 2k8d s ARG 111 N 2.25 1.33 0.15 2.72 3.52 0.12 -1.63 118.95 127.41 2k8d s ARG 111 Ca 0.04 -2.11 -0.16 0.00 -0.13 0.00 0.00 55.73 53.37 2k8d s ARG 111 Cb -0.15 -2.31 -0.07 0.00 -1.56 0.00 0.00 34.95 30.85 2k8d s ARG 111 CO -0.10 -1.19 0.59 0.00 -0.81 0.00 0.00 175.30 173.79 2k8d s GLU 113 N -1.83 1.34 -0.18 0.00 -1.05 -0.07 -0.27 118.70 116.63 2k8d s GLU 113 Ca 0.38 1.14 -0.04 0.00 -0.15 0.00 0.00 54.97 56.29 2k8d s GLU 113 Cb -0.16 -1.79 0.06 0.00 -0.44 0.00 0.00 34.13 31.80 2k8d s GLU 113 CO 0.19 -2.28 0.06 0.08 0.95 0.00 0.00 175.26 174.27 2k8d s VAL 114 N -2.81 0.26 0.15 1.83 1.01 -0.13 -3.80 120.40 116.92 2k8d s VAL 114 Ca 0.64 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 62.28 2k8d s VAL 114 Cb -0.20 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 2k8d s VAL 114 CO 0.58 -0.24 -0.10 -0.76 0.00 0.00 0.00 175.10 174.58 2k8d s LEU 115 N 1.98 2.51 -0.28 3.92 1.43 -0.32 -1.52 118.68 126.40 2k8d s LEU 115 Ca 0.00 -1.03 -0.28 0.00 -1.03 0.00 0.00 54.13 51.80 2k8d s LEU 115 Cb -0.17 -0.36 0.01 0.00 0.03 0.00 0.00 46.19 45.70 2k8d s LEU 115 CO -0.08 -0.33 0.99 0.00 0.23 0.00 0.00 176.35 177.15 2k8d n ALA 117 N 6.48 1.39 0.24 0.00 0.00 0.58 -0.63 120.51 128.58 2k8d n ALA 117 Ca 0.10 -0.02 0.02 0.00 0.00 0.00 0.00 53.44 53.54 2k8d n ALA 117 Cb 0.47 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.81 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 -1.32 5.26 -2.79 0.00 0.63 -1.26 -4.94 116.66 112.25 2k8d n ARG 118 Ca 0.02 -0.01 -0.03 0.00 -0.92 0.00 0.00 57.85 56.92 2k8d n ARG 118 Cb 0.04 -0.75 0.01 0.00 0.45 0.00 0.00 32.46 32.22 2k8d n ARG 118 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2k8d n ASP 120 N 3.06 3.73 -0.04 0.00 8.00 -0.90 -4.01 116.55 126.39 2k8d n ASP 120 Ca 0.15 -2.17 -0.14 0.00 0.71 0.00 0.00 54.79 53.34 2k8d n ASP 120 Cb 0.58 -0.91 -0.11 0.00 -0.02 0.00 0.00 41.12 40.66 2k8d n ASP 120 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k8d h ALA 121 N 5.74 0.01 0.00 2.24 0.00 -1.98 -3.47 119.26 121.81 2k8d h ALA 121 Ca 0.31 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2k8d h ALA 121 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2k8d h ALA 121 CO 1.01 -0.08 0.00 1.58 0.00 0.00 0.00 179.25 181.76 2k8d n HIS 122 N -4.68 -3.07 0.00 0.00 -0.00 -1.26 -5.12 115.22 101.09 2k8d n HIS 122 Ca -0.09 0.43 0.00 0.00 0.46 0.00 0.00 57.72 58.52 2k8d n HIS 122 Cb 0.39 1.44 0.00 0.00 -0.12 0.00 0.00 29.99 31.70 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 -2.75 0.00 0.00 0.27 4.77 -1.26 -4.79 117.00 113.24 2k8d n LEU 123 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2k8d n LEU 123 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2k8d n LEU 123 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 2k8d n GLY 124 N 0.00 -0.23 3.80 -0.72 0.00 -0.57 -0.17 105.19 107.30 2k8d n GLY 124 Ca 0.00 0.49 -0.08 0.00 0.00 0.00 0.00 46.02 46.43 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 0.04 0.00 1.61 -3.43 -0.43 -0.96 115.29 112.12 2k8d s HIS 125 Ca 0.00 -0.57 0.07 0.00 -0.80 0.00 0.00 55.06 53.76 2k8d s HIS 125 Cb 0.00 0.69 -0.02 0.00 -1.43 0.00 0.00 32.58 31.82 2k8d s HIS 125 CO 0.00 -1.36 -0.22 0.54 -2.00 0.00 0.00 174.74 171.70 2k8d s VAL 126 N -3.22 1.79 -0.03 -5.38 0.11 0.63 -0.50 120.40 113.80 2k8d s VAL 126 Ca 0.15 -1.05 0.01 0.00 -2.93 0.00 0.00 61.98 58.16 2k8d s VAL 126 Cb -0.05 -1.50 0.01 0.00 -1.53 0.00 0.00 36.38 33.31 2k8d s VAL 126 CO 0.10 0.43 -0.05 0.72 -3.33 0.00 0.00 175.10 172.97 2k8d s PHE 127 N -0.61 0.65 -0.36 1.54 -0.71 -0.02 -1.54 117.98 116.94 2k8d s PHE 127 Ca 0.09 -0.15 -0.28 0.00 -1.04 0.00 0.00 56.93 55.55 2k8d s PHE 127 Cb -0.09 -0.54 -0.03 0.00 -1.21 0.00 0.00 43.02 41.15 2k8d s PHE 127 CO -0.00 -0.12 2.00 0.34 -1.34 0.00 0.00 175.22 176.09 2k8d s ASP 128 N 0.56 5.51 0.00 1.98 2.15 -0.65 0.01 116.67 126.23 2k8d s ASP 128 Ca -0.07 1.30 0.00 0.00 0.43 0.00 0.00 52.55 54.21 2k8d s ASP 128 Cb -0.11 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.00 2k8d s ASP 128 CO -0.00 -2.01 0.00 -0.67 -0.17 0.00 0.00 175.17 172.32 2k8d n ASP 129 N 11.70 0.00 -4.90 -0.34 2.03 -0.06 -4.87 116.55 120.10 2k8d n ASP 129 Ca 0.26 -0.43 -0.27 0.00 0.52 0.00 0.00 54.79 54.87 2k8d n ASP 129 Cb 0.48 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.87 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 2.42 0.43 0.27 0.00 0.11 -4.97 107.32 105.59 2k8d s GLY 130 Ca 0.00 -1.14 -0.23 0.00 0.00 0.00 0.00 44.72 43.35 2k8d s GLY 130 CO 0.00 -1.97 1.09 2.56 0.00 0.00 0.00 173.10 174.78 2k8d s PRO 131 N -4.28 3.97 0.74 2.90 0.04 -1.26 -4.38 135.00 132.72 2k8d s PRO 131 Ca 0.31 1.59 -0.15 0.00 0.04 0.00 0.00 61.00 62.78 2k8d s PRO 131 Cb -0.02 -2.43 0.04 0.00 0.04 0.00 0.00 34.50 32.13 2k8d s PRO 131 CO 0.20 -0.33 1.23 2.89 0.04 0.00 0.00 177.00 181.02 2k8d n ARG 132 N -0.35 0.60 0.07 4.56 1.85 -1.26 -1.85 116.66 120.29 2k8d n ARG 132 Ca 0.06 0.27 -0.21 0.00 -1.00 0.00 0.00 57.85 56.97 2k8d n ARG 132 Cb 0.49 -2.47 -0.13 0.00 -1.05 0.00 0.00 32.46 29.31 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 -0.26 0.54 -4.40 2.89 0.13 -2.01 -3.45 132.00 125.44 2k8d h PRO 133 Ca -0.48 -0.73 -0.68 0.00 -0.87 0.00 0.00 66.00 63.24 2k8d h PRO 133 Cb 1.32 0.24 -0.03 0.00 0.13 0.00 0.00 31.00 32.66 2k8d h PRO 133 CO 0.49 1.32 2.75 0.25 -0.23 0.00 0.00 178.00 182.58 2k8d n THR 134 N -3.92 3.10 0.14 1.56 -2.24 -1.23 -4.52 114.28 107.17 2k8d n THR 134 Ca -0.13 -2.80 0.10 0.00 -2.27 0.00 0.00 64.05 58.94 2k8d n THR 134 Cb 0.91 -2.50 0.19 0.00 -2.10 0.00 0.00 70.33 66.84 2k8d n THR 134 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k8d n GLY 135 N 4.43 1.75 3.85 3.38 0.00 -0.77 -4.38 105.19 113.46 2k8d n GLY 135 Ca 0.51 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.24 3.73 -0.37 1.61 -2.85 -1.26 0.07 119.74 119.43 2k8d s LYS 136 Ca 0.33 0.86 0.00 0.00 -1.00 0.00 0.00 55.97 56.16 2k8d s LYS 136 Cb 0.19 -2.10 0.12 0.00 -2.06 0.00 0.00 37.83 33.98 2k8d s LYS 136 CO 0.26 -0.45 0.17 0.50 0.10 0.00 0.00 175.35 175.93 2k8d s ARG 137 N -4.65 0.92 0.43 1.78 3.52 0.10 -4.20 118.95 116.85 2k8d s ARG 137 Ca 0.57 -1.48 -0.25 0.00 -0.13 0.00 0.00 55.73 54.44 2k8d s ARG 137 Cb -0.11 -2.03 -0.08 0.00 -1.56 0.00 0.00 34.95 31.17 2k8d s ARG 137 CO 0.43 -1.09 1.29 0.71 -0.81 0.00 0.00 175.30 175.83 2k8d s TYR 138 N 1.03 2.76 -0.04 5.12 1.51 0.75 -0.84 117.35 127.63 2k8d s TYR 138 Ca 0.14 1.43 -0.02 0.00 -1.01 0.00 0.00 57.07 57.60 2k8d s TYR 138 Cb -0.21 -3.64 0.02 0.00 -0.11 0.00 0.00 41.96 38.02 2k8d s TYR 138 CO -0.11 -2.10 0.09 0.00 -1.11 0.00 0.00 175.55 172.32 2k8d s MET 140 N 0.57 0.72 -0.37 0.00 0.23 -0.48 -1.31 119.30 118.66 2k8d s MET 140 Ca -0.04 -0.43 0.01 0.00 -1.03 0.00 0.00 55.69 54.20 2k8d s MET 140 Cb -0.06 -0.68 0.15 0.00 -1.53 0.00 0.00 34.83 32.71 2k8d s MET 140 CO -0.02 0.18 0.25 -0.80 -2.03 0.00 0.00 175.02 172.60 2k8d s ASN 141 N -0.49 2.45 0.34 -1.18 0.02 0.76 -4.75 114.94 112.09 2k8d s ASN 141 Ca 0.02 -2.36 -0.09 0.00 -1.02 0.00 0.00 52.86 49.41 2k8d s ASN 141 Cb -0.05 -0.33 0.02 0.00 0.02 0.00 0.00 41.25 40.91 2k8d s ASN 141 CO -0.00 -0.27 0.60 -0.94 0.02 0.00 0.00 177.10 176.50 2k8d s SER 142 N 0.85 0.42 0.00 -1.22 1.04 -1.26 -4.14 113.70 109.39 2k8d s SER 142 Ca 0.22 -1.26 0.14 0.00 0.48 0.00 0.00 55.95 55.53 2k8d s SER 142 Cb -0.16 0.72 0.65 0.00 0.10 0.00 0.00 66.02 67.34 2k8d s SER 142 CO -0.04 -1.42 1.43 0.00 0.98 0.00 0.00 173.24 174.18 2k8d n ALA 143 N -0.53 1.72 0.24 5.32 0.00 -1.26 -3.98 120.51 122.02 2k8d n ALA 143 Ca -0.03 -0.06 0.16 0.00 0.00 0.00 0.00 53.44 53.51 2k8d n ALA 143 Cb 0.61 -1.23 0.85 0.00 0.00 0.00 0.00 19.45 19.68 2k8d n ALA 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k8d h ALA 144 N 2.57 1.72 0.00 0.00 0.00 -1.94 -3.39 119.26 118.21 2k8d h ALA 144 Ca 0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2k8d h ALA 144 Cb 0.20 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2k8d h ALA 144 CO 0.00 -0.18 -0.11 1.28 0.00 0.00 0.00 179.25 180.24 2k8d n LEU 145 N -3.85 4.42 -4.80 0.00 4.77 -1.26 -0.94 117.00 115.34 2k8d n LEU 145 Ca -0.00 -2.34 -0.32 0.00 -0.03 0.00 0.00 56.01 53.31 2k8d n LEU 145 Cb 0.23 -1.05 0.03 0.00 -2.33 0.00 0.00 43.42 40.29 2k8d n LEU 145 CO 0.28 1.07 0.72 -0.75 -1.33 0.00 0.00 177.39 177.38 2k8d s LYS 146 N 0.79 3.12 0.26 3.23 2.20 -1.22 -4.92 119.74 123.21 2k8d s LYS 146 Ca 0.26 1.19 0.06 0.00 -0.36 0.00 0.00 55.97 57.12 2k8d s LYS 146 Cb 0.12 -2.01 -0.03 0.00 -1.51 0.00 0.00 37.83 34.41 2k8d s LYS 146 CO 0.00 -0.97 0.27 -0.06 -0.36 0.00 0.00 175.35 174.23 2k8d s PHE 147 N -2.56 3.21 0.21 4.03 0.08 -1.26 -0.45 117.98 121.25 2k8d s PHE 147 Ca 0.63 -0.10 0.03 0.00 0.12 0.00 0.00 56.93 57.61 2k8d s PHE 147 Cb -0.16 -1.51 -0.05 0.00 -0.57 0.00 0.00 43.02 40.72 2k8d s PHE 147 CO 0.42 0.45 0.01 0.96 -0.10 0.00 0.00 175.22 176.95 2k8d s ILE 148 N -2.10 0.87 0.61 0.64 -4.36 -0.10 -4.78 121.20 111.98 2k8d s ILE 148 Ca 0.34 -2.01 -0.18 0.00 -0.26 0.00 0.00 60.65 58.54 2k8d s ILE 148 Cb -0.08 -2.29 -0.07 0.00 1.25 0.00 0.00 42.46 41.27 2k8d s ILE 148 CO 0.27 -0.35 0.59 -0.81 0.24 0.00 0.00 174.94 174.88 2k8d n PRO 149 N -0.36 0.53 -0.33 0.37 -0.04 -1.26 -0.73 135.00 133.17 2k8d n PRO 149 Ca -0.05 0.21 0.20 0.00 -0.04 0.00 0.00 63.50 63.82 2k8d n PRO 149 Cb 0.64 -1.80 0.38 0.00 -0.04 0.00 0.00 33.50 32.68 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 0.15 0.02 0.00 0.54 2.47 -1.90 -3.39 114.38 112.27 2k8d h ARG 150 Ca -0.46 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.26 2k8d h ARG 150 Cb 1.38 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.70 2k8d h ARG 150 CO 0.47 0.01 0.00 -0.40 0.56 0.00 0.00 179.97 180.61 2k8d n ASP 151 N -5.41 0.00 0.00 7.04 5.75 -1.26 -4.51 116.55 118.16 2k8d n ASP 151 Ca 0.28 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.06 2k8d n ASP 151 Cb 0.92 0.07 0.00 0.00 -1.03 0.00 0.00 41.12 41.08 2k8d n ASP 151 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k8d n GLN 152 N -1.70 0.00 0.15 0.11 1.13 -1.26 -4.84 117.38 110.96 2k8d n GLN 152 Ca 0.00 -0.31 0.09 0.00 -1.94 0.00 0.00 57.00 54.84 2k8d n GLN 152 Cb 0.00 -0.35 0.51 0.00 0.11 0.00 0.00 30.24 30.51 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 0.00 1.09 -1.58 5.09 -6.64 -1.26 -5.16 119.36 110.91 2k8d n ILE 153 Ca 0.00 0.72 0.00 0.00 -1.77 0.00 0.00 62.75 61.70 2k8d n ILE 153 Cb 0.47 -1.72 0.00 0.00 -1.44 0.00 0.00 39.64 36.96 2k8d n ILE 153 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39