#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 0.65 -0.01 2.12 3.00 -1.26 -4.85 118.16 117.81 2k8d n LYS 5 Ca 0.00 -0.17 0.00 0.00 -0.00 0.00 0.00 58.31 58.14 2k8d n LYS 5 Cb 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 35.03 33.60 2k8d n LYS 5 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2k8d n ASP 6 N 2.11 0.00 -4.06 3.14 5.68 -1.26 -4.97 116.55 117.20 2k8d n ASP 6 Ca 0.07 -0.98 -0.10 0.00 -0.50 0.00 0.00 54.79 53.29 2k8d n ASP 6 Cb 0.31 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.18 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 -2.93 0.52 -0.29 0.11 1.81 -1.26 -3.28 118.95 113.63 2k8d s ARG 7 Ca 0.00 -0.92 -0.06 0.00 -1.72 0.00 0.00 55.73 53.03 2k8d s ARG 7 Cb 0.00 -0.02 0.01 0.00 -0.45 0.00 0.00 34.95 34.49 2k8d s ARG 7 CO 0.00 -0.04 0.07 0.96 -0.68 0.00 0.00 175.30 175.61 2k8d s ILE 8 N -2.41 3.87 0.02 1.52 -4.36 0.12 -4.83 121.20 115.13 2k8d s ILE 8 Ca -0.04 -0.71 -0.30 0.00 -0.26 0.00 0.00 60.65 59.33 2k8d s ILE 8 Cb -0.03 -2.99 -0.06 0.00 1.25 0.00 0.00 42.46 40.63 2k8d s ILE 8 CO -0.04 0.10 1.38 -2.16 0.24 0.00 0.00 174.94 174.46 2k8d s PRO 9 N 1.49 4.30 -0.59 0.37 0.04 -1.26 -0.92 135.00 138.43 2k8d s PRO 9 Ca 0.02 1.95 -0.05 0.00 0.04 0.00 0.00 61.00 62.97 2k8d s PRO 9 Cb -0.17 -3.51 0.15 0.00 0.04 0.00 0.00 34.50 31.01 2k8d s PRO 9 CO 0.02 -0.53 0.42 0.42 0.04 0.00 0.00 177.00 177.37 2k8d s ILE 10 N 2.13 3.94 -0.41 0.56 1.01 0.49 -4.02 121.20 124.91 2k8d s ILE 10 Ca 0.63 -2.56 -0.22 0.00 0.00 0.00 0.00 60.65 58.49 2k8d s ILE 10 Cb -0.32 -3.57 0.02 0.00 0.01 0.00 0.00 42.46 38.59 2k8d s ILE 10 CO 0.27 -0.85 0.75 -0.36 0.00 0.00 0.00 174.94 174.75 2k8d s PHE 11 N 0.39 3.06 -1.33 3.97 0.40 -1.26 -0.69 117.98 122.53 2k8d s PHE 11 Ca 0.14 0.30 -0.15 0.00 -0.60 0.00 0.00 56.93 56.63 2k8d s PHE 11 Cb -0.20 -3.47 0.10 0.00 0.51 0.00 0.00 43.02 39.95 2k8d s PHE 11 CO -0.04 -0.84 1.84 0.43 0.70 0.00 0.00 175.22 177.32 2k8d n SER 12 N 6.48 4.72 0.13 1.36 7.64 0.49 -4.78 113.62 129.66 2k8d n SER 12 Ca 0.02 -2.94 0.13 0.00 1.01 0.00 0.00 58.87 57.09 2k8d n SER 12 Cb 0.48 -1.65 0.66 0.00 -1.01 0.00 0.00 64.21 62.69 2k8d n SER 12 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 2k8d h VAL 13 N 4.65 0.88 0.00 0.44 -1.51 -1.89 -1.11 116.25 117.71 2k8d h VAL 13 Ca 0.45 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.91 2k8d h VAL 13 Cb 0.77 0.86 0.00 0.00 -2.13 0.00 0.00 31.29 30.79 2k8d h VAL 13 CO 1.57 0.00 0.08 0.00 -1.23 0.00 0.00 177.57 177.99 2k8d h ALA 14 N 1.87 1.07 0.00 5.19 0.00 -1.88 0.16 119.26 125.68 2k8d h ALA 14 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2k8d h ALA 14 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2k8d h ALA 14 CO -0.00 -0.07 -0.16 1.63 0.00 0.00 0.00 179.25 180.64 2k8d n LYS 15 N -2.70 0.88 -4.03 0.00 4.01 -0.59 -5.01 118.16 110.72 2k8d n LYS 15 Ca -0.02 -1.37 -0.31 0.00 -0.51 0.00 0.00 58.31 56.09 2k8d n LYS 15 Cb 0.13 -0.84 -0.07 0.00 -0.51 0.00 0.00 35.03 33.73 2k8d n LYS 15 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 2k8d n ASN 16 N -0.45 -0.49 -4.87 4.39 5.15 0.56 -4.98 115.26 114.57 2k8d n ASN 16 Ca 0.04 -1.05 -0.30 0.00 -0.60 0.00 0.00 54.58 52.67 2k8d n ASN 16 Cb 0.55 -1.33 -0.02 0.00 -0.53 0.00 0.00 39.78 38.46 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 -6.41 3.73 -0.08 1.20 0.52 -0.53 -4.92 118.95 112.46 2k8d s ARG 17 Ca 0.39 0.56 -0.03 0.00 -0.52 0.00 0.00 55.73 56.13 2k8d s ARG 17 Cb -0.23 -2.28 0.05 0.00 0.52 0.00 0.00 34.95 33.01 2k8d s ARG 17 CO 0.85 -0.21 0.16 0.08 0.02 0.00 0.00 175.30 176.20 2k8d s VAL 18 N -2.64 -0.23 -0.16 3.52 1.01 -1.26 -0.38 120.40 120.27 2k8d s VAL 18 Ca 0.53 0.32 -0.01 0.00 0.00 0.00 0.00 61.98 62.81 2k8d s VAL 18 Cb -0.10 -0.29 0.04 0.00 0.00 0.00 0.00 36.38 36.03 2k8d s VAL 18 CO 0.38 0.13 -0.03 -1.83 0.00 0.00 0.00 175.10 173.75 2k8d s GLU 19 N 2.08 1.24 0.10 2.72 1.03 0.13 -4.97 118.70 121.02 2k8d s GLU 19 Ca 0.01 -0.46 -0.28 0.00 0.03 0.00 0.00 54.97 54.27 2k8d s GLU 19 Cb -0.12 -1.94 -0.06 0.00 -0.80 0.00 0.00 34.13 31.21 2k8d s GLU 19 CO -0.06 -0.46 0.88 1.41 -1.33 0.00 0.00 175.26 175.70 2k8d s MET 20 N 1.69 4.63 0.10 -4.83 1.75 -1.26 -0.38 119.30 120.99 2k8d s MET 20 Ca 0.01 1.30 0.02 0.00 -1.25 0.00 0.00 55.69 55.76 2k8d s MET 20 Cb -0.15 -3.36 -0.04 0.00 2.84 0.00 0.00 34.83 34.12 2k8d s MET 20 CO -0.07 0.28 -0.07 0.08 -0.65 0.00 0.00 175.02 174.58 2k8d s VAL 21 N -0.15 0.72 0.93 10.11 1.01 -0.09 -4.94 120.40 127.98 2k8d s VAL 21 Ca 0.43 -1.88 -0.12 0.00 0.00 0.00 0.00 61.98 60.41 2k8d s VAL 21 Cb -0.22 -1.61 0.15 0.00 0.00 0.00 0.00 36.38 34.69 2k8d s VAL 21 CO 0.27 -0.82 1.09 -1.61 0.00 0.00 0.00 175.10 174.03 2k8d s GLU 22 N -3.64 1.02 1.01 2.72 8.01 -1.26 0.12 118.70 126.67 2k8d s GLU 22 Ca 0.10 0.75 -0.13 0.00 0.01 0.00 0.00 54.97 55.71 2k8d s GLU 22 Cb 0.04 -1.79 0.19 0.00 -4.31 0.00 0.00 34.13 28.26 2k8d s GLU 22 CO -0.04 -2.39 1.11 0.50 0.01 0.00 0.00 175.26 174.45 2k8d s ARG 23 N -4.93 0.37 0.23 1.61 6.06 -1.21 -4.34 118.95 116.74 2k8d s ARG 23 Ca 0.64 0.39 -0.30 0.00 -2.50 0.00 0.00 55.73 53.96 2k8d s ARG 23 Cb -0.18 -1.74 -0.09 0.00 0.06 0.00 0.00 34.95 33.00 2k8d s ARG 23 CO 0.57 -2.74 1.05 -1.50 -2.50 0.00 0.00 175.30 170.17 2k8d s ILE 24 N -3.04 3.81 -0.38 4.11 -1.16 -1.26 -5.01 121.20 118.27 2k8d s ILE 24 Ca 0.66 1.73 0.06 0.00 -0.51 0.00 0.00 60.65 62.59 2k8d s ILE 24 Cb -0.17 -4.10 0.18 0.00 0.61 0.00 0.00 42.46 38.98 2k8d s ILE 24 CO 0.57 0.37 0.56 -1.83 -2.81 0.00 0.00 174.94 171.79 2k8d s GLU 25 N -0.99 0.72 0.38 3.50 -1.05 -1.26 -5.16 118.70 114.84 2k8d s GLU 25 Ca 0.45 -0.25 0.02 0.00 -0.15 0.00 0.00 54.97 55.04 2k8d s GLU 25 Cb -0.29 -0.08 -0.01 0.00 -0.44 0.00 0.00 34.13 33.31 2k8d s GLU 25 CO 0.36 -1.16 0.08 1.28 0.95 0.00 0.00 175.26 176.77 2k8d n LEU 26 N 4.58 0.00 0.00 1.83 4.77 -1.26 -5.15 117.00 121.77 2k8d n LEU 26 Ca 0.09 -2.69 0.00 0.00 -0.03 0.00 0.00 56.01 53.38 2k8d n LEU 26 Cb 0.54 0.66 0.00 0.00 -2.33 0.00 0.00 43.42 42.29 2k8d n LEU 26 CO 0.01 -0.40 0.00 -1.54 -1.33 0.00 0.00 177.39 174.13 2k8d n SER 27 N -1.47 0.00 0.16 -1.43 3.41 -1.26 -5.08 113.62 107.95 2k8d n SER 27 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 2k8d n SER 27 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 2k8d n SER 27 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2k8d n ASP 28 N 0.00 -1.94 0.31 4.04 2.03 -1.26 -4.94 116.55 114.80 2k8d n ASP 28 Ca 0.00 0.59 0.19 0.00 0.52 0.00 0.00 54.79 56.10 2k8d n ASP 28 Cb 0.00 1.94 1.05 0.00 -0.72 0.00 0.00 41.12 43.39 2k8d n ASP 28 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2k8d h ASP 29 N 0.00 0.00 -0.60 1.67 3.32 -2.03 -0.95 116.42 117.83 2k8d h ASP 29 Ca 0.00 0.00 0.10 0.00 0.02 0.00 0.00 57.03 57.15 2k8d h ASP 29 Cb 0.00 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.47 2k8d h ASP 29 CO 0.00 0.00 0.19 -0.33 -1.72 0.00 0.00 179.24 177.38 2k8d h GLU 30 N 0.00 0.34 -2.05 3.56 4.39 -1.98 -2.72 114.58 116.11 2k8d h GLU 30 Ca 0.01 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2k8d h GLU 30 Cb 0.17 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 2k8d h GLU 30 CO -0.00 0.23 0.01 0.91 -1.16 0.00 0.00 179.01 179.00 2k8d n TRP 31 N -5.04 0.00 0.00 4.33 7.02 -0.36 -0.90 117.44 122.49 2k8d n TRP 31 Ca 0.09 -0.43 0.00 0.00 -1.02 0.00 0.00 57.50 56.14 2k8d n TRP 31 Cb 0.29 -0.40 0.00 0.00 -2.42 0.00 0.00 31.31 28.78 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 1.89 0.00 0.13 -0.99 0.00 -1.03 -4.71 116.66 111.95 2k8d n ARG 32 Ca 0.02 0.00 0.04 0.00 -0.00 0.00 0.00 57.85 57.91 2k8d n ARG 32 Cb 0.22 -0.14 0.03 0.00 -0.00 0.00 0.00 32.46 32.57 2k8d n ARG 32 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.63 178.68 2k8d h GLU 33 N 0.00 0.00 -0.48 2.89 4.11 -1.33 -3.19 114.58 116.59 2k8d h GLU 33 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.36 2k8d h GLU 33 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 2k8d h GLU 33 CO 0.00 0.35 0.07 0.44 0.07 0.00 0.00 179.01 179.94 2k8d n ILE 34 N -3.11 2.61 -3.87 -1.06 -5.35 -0.08 -5.02 119.36 103.49 2k8d n ILE 34 Ca 0.00 -1.78 -0.22 0.00 -0.27 0.00 0.00 62.75 60.48 2k8d n ILE 34 Cb 0.71 -0.30 -0.04 0.00 -1.74 0.00 0.00 39.64 38.27 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 -2.90 3.45 0.65 7.28 1.43 -1.21 -4.98 118.68 122.41 2k8d s LEU 35 Ca 0.49 -0.64 -0.17 0.00 -1.03 0.00 0.00 54.13 52.78 2k8d s LEU 35 Cb 0.39 -2.02 -0.02 0.00 0.03 0.00 0.00 46.19 44.57 2k8d s LEU 35 CO 0.11 -0.39 1.00 0.47 0.23 0.00 0.00 176.35 177.77 2k8d n ASP 36 N -1.33 0.80 -0.61 2.29 8.00 -1.26 -4.89 116.55 119.56 2k8d n ASP 36 Ca -0.01 0.75 0.00 0.00 0.71 0.00 0.00 54.79 56.24 2k8d n ASP 36 Cb 0.61 -1.42 0.00 0.00 -0.02 0.00 0.00 41.12 40.29 2k8d n ASP 36 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2k8d n PRO 37 N -1.43 0.55 0.00 -0.24 -0.04 -1.26 -2.56 135.00 130.01 2k8d n PRO 37 Ca 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 2k8d n PRO 37 Cb 0.48 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 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 0.34 0.00 -0.22 0.54 2.13 -1.26 -4.77 120.64 117.40 2k8d n GLU 38 Ca 0.00 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.85 2k8d n GLU 38 Cb 0.17 -0.23 0.29 0.00 0.27 0.00 0.00 31.44 31.93 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 1.57 -0.51 4.31 0.00 -1.86 0.30 119.26 123.06 2k8d h ALA 39 Ca 0.00 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.93 2k8d h ALA 39 Cb 0.33 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 2k8d h ALA 39 CO 0.00 0.35 0.23 0.35 0.00 0.00 0.00 179.25 180.17 2k8d h PHE 40 N 0.92 0.41 0.00 0.00 3.57 -1.83 0.69 116.94 120.69 2k8d h PHE 40 Ca 0.31 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.82 2k8d h PHE 40 Cb 0.09 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.72 2k8d h PHE 40 CO -0.00 0.17 -0.10 0.07 -2.23 0.00 0.00 178.31 176.22 2k8d h ARG 41 N 0.44 0.00 -0.02 1.11 0.11 -1.50 -3.30 114.38 111.22 2k8d h ARG 41 Ca 0.24 0.00 0.01 0.00 0.10 0.00 0.00 59.98 60.32 2k8d h ARG 41 Cb 0.20 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.28 2k8d h ARG 41 CO -0.20 0.89 0.03 0.28 0.10 0.00 0.00 179.97 181.07 2k8d h VAL 42 N -1.00 0.38 0.00 0.08 2.07 -0.47 0.18 116.25 117.49 2k8d h VAL 42 Ca -0.03 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 2k8d h VAL 42 Cb 0.92 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.66 2k8d h VAL 42 CO -0.02 0.00 -0.12 0.00 0.02 0.00 0.00 177.57 177.45 2k8d h ALA 43 N 1.96 1.35 0.00 1.67 0.00 -0.93 0.06 119.26 123.37 2k8d h ALA 43 Ca 0.01 -0.11 -0.37 0.00 0.00 0.00 0.00 54.91 54.44 2k8d h ALA 43 Cb 0.07 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 2k8d h ALA 43 CO -0.00 0.15 -2.38 2.89 0.00 0.00 0.00 179.25 179.91 2k8d n ARG 44 N -3.74 0.72 -0.10 0.00 1.85 0.56 -4.32 116.66 111.63 2k8d n ARG 44 Ca -0.02 0.06 0.09 0.00 -1.00 0.00 0.00 57.85 56.99 2k8d n ARG 44 Cb 0.23 -1.50 0.32 0.00 -1.05 0.00 0.00 32.46 30.46 2k8d n ARG 44 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 2k8d n LYS 45 N -2.97 1.70 -3.87 2.89 2.85 -0.87 -4.95 118.16 112.94 2k8d n LYS 45 Ca -0.38 -1.07 -0.25 0.00 -1.05 0.00 0.00 58.31 55.56 2k8d n LYS 45 Cb 1.06 -1.35 -0.00 0.00 -0.65 0.00 0.00 35.03 34.08 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 0.31 -2.08 -0.63 0.58 0.00 -0.31 -0.96 120.51 117.40 2k8d n ALA 46 Ca 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2k8d n ALA 46 Cb 0.30 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 17.87 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 -1.88 0.64 2.94 0.00 0.00 -0.14 -4.41 105.19 102.34 2k8d n GLY 47 Ca -0.28 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.39 2.76 0.56 2.61 2.01 -0.14 -4.98 115.64 116.08 2k8d s THR 48 Ca 0.00 -3.61 -0.15 0.00 0.31 0.00 0.00 61.69 58.24 2k8d s THR 48 Cb 0.00 -2.88 -0.06 0.00 0.01 0.00 0.00 72.50 69.58 2k8d s THR 48 CO 0.00 -0.87 1.02 -1.61 -0.69 0.00 0.00 174.62 172.47 2k8d s GLU 49 N -0.65 3.67 0.67 4.92 2.02 -1.26 -4.87 118.70 123.19 2k8d s GLU 49 Ca 0.19 0.99 -0.15 0.00 0.02 0.00 0.00 54.97 56.03 2k8d s GLU 49 Cb -0.19 -2.09 0.01 0.00 0.10 0.00 0.00 34.13 31.95 2k8d s GLU 49 CO -0.05 -0.51 1.14 -1.25 0.02 0.00 0.00 175.26 174.61 2k8d s PRO 50 N -4.28 2.67 0.54 0.39 0.04 -1.26 -5.00 135.00 128.10 2k8d s PRO 50 Ca 0.60 1.51 -0.18 0.00 0.04 0.00 0.00 61.00 62.96 2k8d s PRO 50 Cb -0.12 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.44 2k8d s PRO 50 CO 0.37 -1.37 1.07 -1.25 0.04 0.00 0.00 177.00 175.86 2k8d s PRO 51 N -3.98 3.50 0.24 0.56 0.04 -1.26 -5.08 135.00 129.03 2k8d s PRO 51 Ca 0.69 1.37 -0.04 0.00 0.04 0.00 0.00 61.00 63.06 2k8d s PRO 51 Cb -0.23 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.24 2k8d s PRO 51 CO 0.41 -0.68 0.29 -0.06 0.04 0.00 0.00 177.00 177.00 2k8d s PHE 52 N -2.10 0.96 0.92 0.56 0.08 -1.26 -5.17 117.98 111.97 2k8d s PHE 52 Ca 0.67 -1.19 -0.14 0.00 0.12 0.00 0.00 56.93 56.39 2k8d s PHE 52 Cb -0.18 -0.28 0.15 0.00 -0.57 0.00 0.00 43.02 42.14 2k8d s PHE 52 CO 0.28 -0.83 1.19 -0.08 -0.10 0.00 0.00 175.22 175.68 2k8d s THR 53 N -3.91 1.96 0.00 0.64 -1.32 -1.26 -4.84 115.64 106.92 2k8d s THR 53 Ca 0.33 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.81 2k8d s THR 53 Cb 0.03 -2.86 0.00 0.00 -1.51 0.00 0.00 72.50 68.16 2k8d s THR 53 CO 0.14 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.16 2k8d n GLY 54 N -2.80 -1.57 3.23 6.08 0.00 -1.26 -5.14 105.19 103.73 2k8d n GLY 54 Ca 0.10 -0.25 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 2k8d n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k8d s LYS 55 N -0.46 1.20 0.40 1.61 0.00 -1.26 -5.19 119.74 116.04 2k8d s LYS 55 Ca 0.00 -1.57 0.04 0.00 0.00 0.00 0.00 55.97 54.44 2k8d s LYS 55 Cb 0.00 0.29 -0.02 0.00 0.00 0.00 0.00 37.83 38.09 2k8d s LYS 55 CO 0.00 -0.40 0.15 0.71 0.00 0.00 0.00 175.35 175.81 2k8d s TYR 56 N -4.14 1.78 0.04 1.78 2.02 -1.26 -5.11 117.35 112.46 2k8d s TYR 56 Ca 0.36 -1.34 0.00 0.00 -0.37 0.00 0.00 57.07 55.71 2k8d s TYR 56 Cb 0.06 -1.10 0.00 0.00 -0.40 0.00 0.00 41.96 40.53 2k8d s TYR 56 CO 0.11 -0.38 0.00 0.72 -1.57 0.00 0.00 175.55 174.42 2k8d n HIS 57 N -0.88 -0.35 -2.01 2.71 8.25 -1.26 -5.07 115.22 116.60 2k8d n HIS 57 Ca -0.04 0.06 -0.30 0.00 -0.26 0.00 0.00 57.72 57.18 2k8d n HIS 57 Cb 0.65 0.42 0.01 0.00 1.12 0.00 0.00 29.99 32.18 2k8d n HIS 57 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 2k8d s ASP 58 N -4.36 6.20 0.25 0.41 -4.77 -1.26 -4.53 116.67 108.61 2k8d s ASP 58 Ca 0.00 1.31 -0.02 0.00 -3.30 0.00 0.00 52.55 50.54 2k8d s ASP 58 Cb 0.00 -2.40 0.01 0.00 -1.09 0.00 0.00 42.92 39.44 2k8d s ASP 58 CO 0.00 -0.84 0.36 -0.11 0.70 0.00 0.00 175.17 175.28 2k8d n LEU 59 N -2.67 0.00 -4.66 2.11 7.94 -1.26 -5.01 117.00 113.44 2k8d n LEU 59 Ca 0.05 -1.99 -0.42 0.00 -1.11 0.00 0.00 56.01 52.54 2k8d n LEU 59 Cb 0.54 1.85 -0.03 0.00 0.53 0.00 0.00 43.42 46.32 2k8d n LEU 59 CO 0.57 -0.47 1.33 -1.00 -1.11 0.00 0.00 177.39 176.71 2k8d s HIS 60 N -3.60 2.13 -0.35 1.96 3.76 -1.26 -4.90 115.29 113.02 2k8d s HIS 60 Ca 0.20 0.31 -0.29 0.00 -0.15 0.00 0.00 55.06 55.13 2k8d s HIS 60 Cb -0.01 -3.87 -0.01 0.00 1.11 0.00 0.00 32.58 29.81 2k8d s HIS 60 CO 0.14 -3.57 1.62 0.34 -0.85 0.00 0.00 174.74 172.42 2k8d s ASP 61 N 3.08 6.12 0.38 1.40 2.15 -1.26 -4.92 116.67 123.63 2k8d s ASP 61 Ca 0.71 1.13 -0.15 0.00 0.43 0.00 0.00 52.55 54.67 2k8d s ASP 61 Cb -0.32 -2.53 0.05 0.00 -0.30 0.00 0.00 42.92 39.82 2k8d s ASP 61 CO 0.28 -1.55 0.78 -0.62 -0.17 0.00 0.00 175.17 173.89 2k8d s ASP 62 N 5.01 0.02 0.00 -0.34 -1.08 -1.26 -5.15 116.67 113.87 2k8d s ASP 62 Ca 0.71 -1.15 0.00 0.00 -0.52 0.00 0.00 52.55 51.59 2k8d s ASP 62 Cb -0.19 0.85 0.00 0.00 -1.46 0.00 0.00 42.92 42.12 2k8d s ASP 62 CO 0.33 -1.68 0.00 0.61 0.52 0.00 0.00 175.17 174.95 2k8d n GLY 63 N -0.53 -2.19 3.20 2.66 0.00 -1.26 -4.73 105.19 102.34 2k8d n GLY 63 Ca -0.08 -1.53 -0.12 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.28 0.26 0.43 -0.61 -4.36 -0.12 -3.78 121.20 112.74 2k8d s ILE 64 Ca 0.00 -1.95 -0.22 0.00 -0.26 0.00 0.00 60.65 58.22 2k8d s ILE 64 Cb 0.00 -2.21 -0.10 0.00 1.25 0.00 0.00 42.46 41.40 2k8d s ILE 64 CO 0.00 -0.33 0.98 -0.31 0.24 0.00 0.00 174.94 175.51 2k8d s TYR 65 N -3.95 3.27 -0.11 1.37 2.02 0.44 -0.83 117.35 119.56 2k8d s TYR 65 Ca 0.28 1.62 -0.00 0.00 -0.37 0.00 0.00 57.07 58.60 2k8d s TYR 65 Cb 0.07 -2.93 0.02 0.00 -0.40 0.00 0.00 41.96 38.73 2k8d s TYR 65 CO 0.05 -0.28 -0.07 0.50 -1.57 0.00 0.00 175.55 174.18 2k8d s ARG 66 N -3.03 1.43 -1.05 -0.62 6.06 0.42 -1.57 118.95 120.59 2k8d s ARG 66 Ca 0.62 -0.22 -0.23 0.00 -2.50 0.00 0.00 55.73 53.40 2k8d s ARG 66 Cb -0.13 -1.52 -0.02 0.00 0.06 0.00 0.00 34.95 33.35 2k8d s ARG 66 CO 0.17 -0.26 1.79 0.00 -2.50 0.00 0.00 175.30 174.49 2k8d h ILE 68 N 6.69 1.23 0.00 0.00 2.10 -0.99 0.12 117.51 126.66 2k8d h ILE 68 Ca 0.20 -1.09 0.00 0.00 1.08 0.00 0.00 64.86 65.04 2k8d h ILE 68 Cb 0.97 1.54 0.00 0.00 -1.09 0.00 0.00 36.82 38.25 2k8d h ILE 68 CO 1.30 0.32 0.00 0.00 -1.08 0.00 0.00 178.15 178.69 2k8d n GLY 71 N 0.00 0.06 3.42 0.00 0.00 0.29 -4.93 105.19 104.03 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 -1.13 3.94 0.64 2.61 2.01 -0.78 -4.84 115.64 118.10 2k8d s THR 72 Ca 0.00 -0.31 -0.17 0.00 0.31 0.00 0.00 61.69 61.52 2k8d s THR 72 Cb 0.00 -2.80 -0.01 0.00 0.01 0.00 0.00 72.50 69.70 2k8d s THR 72 CO 0.00 0.40 1.20 1.51 -0.69 0.00 0.00 174.62 177.04 2k8d s ASP 73 N 1.25 4.88 0.00 3.53 -4.77 -1.26 0.11 116.67 120.41 2k8d s ASP 73 Ca 0.04 2.33 0.00 0.00 -3.30 0.00 0.00 52.55 51.62 2k8d s ASP 73 Cb -0.15 -2.59 0.00 0.00 -1.09 0.00 0.00 42.92 39.09 2k8d s ASP 73 CO 0.01 -1.80 0.00 0.00 0.70 0.00 0.00 175.17 174.08 2k8d n LEU 74 N -2.03 0.00 -4.72 2.11 -0.00 -0.61 -4.79 117.00 106.97 2k8d n LEU 74 Ca 0.13 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.72 2k8d n LEU 74 Cb 0.50 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.89 2k8d n LEU 74 CO 0.46 0.00 1.27 -0.36 -0.00 0.00 0.00 177.39 178.76 2k8d s PHE 75 N 1.14 3.00 0.37 1.47 0.08 -1.26 -4.71 117.98 118.07 2k8d s PHE 75 Ca 0.00 0.55 -0.25 0.00 0.12 0.00 0.00 56.93 57.35 2k8d s PHE 75 Cb 0.00 -4.00 -0.09 0.00 -0.57 0.00 0.00 43.02 38.36 2k8d s PHE 75 CO 0.00 -3.70 1.02 0.34 -0.10 0.00 0.00 175.22 172.78 2k8d s ASP 76 N 1.12 6.98 0.56 1.36 -1.08 -1.26 -0.42 116.67 123.94 2k8d s ASP 76 Ca 0.71 1.99 0.27 0.00 -0.52 0.00 0.00 52.55 55.00 2k8d s ASP 76 Cb -0.46 -2.59 1.49 0.00 -1.46 0.00 0.00 42.92 39.91 2k8d s ASP 76 CO 0.32 -0.33 2.00 0.28 0.52 0.00 0.00 175.17 177.96 2k8d h SER 77 N 2.80 0.00 0.40 -0.34 0.02 -1.85 -0.45 113.55 114.13 2k8d h SER 77 Ca -0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 2k8d h SER 77 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2k8d h SER 77 CO 0.63 0.00 0.00 1.05 -1.14 0.00 0.00 176.83 177.37 2k8d h GLU 78 N 0.00 0.00 0.00 3.45 4.11 -1.92 0.00 114.58 120.22 2k8d h GLU 78 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.63 2k8d h GLU 78 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2k8d h GLU 78 CO -0.00 0.00 0.00 0.25 0.07 0.00 0.00 179.01 179.33 2k8d n THR 79 N -3.07 0.32 -4.10 -1.06 -2.24 -0.18 -4.93 114.28 99.02 2k8d n THR 79 Ca -0.02 -0.15 -0.04 0.00 -2.27 0.00 0.00 64.05 61.57 2k8d n THR 79 Cb 0.16 -0.55 -0.01 0.00 -2.10 0.00 0.00 70.33 67.83 2k8d n THR 79 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2k8d n LYS 80 N -1.90 1.56 -4.11 -0.78 4.81 -0.01 -1.79 118.16 115.93 2k8d n LYS 80 Ca 0.06 -0.52 -0.17 0.00 -0.87 0.00 0.00 58.31 56.82 2k8d n LYS 80 Cb 0.39 0.18 -0.05 0.00 0.02 0.00 0.00 35.03 35.56 2k8d n LYS 80 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 2k8d n PHE 81 N -0.17 -1.21 0.00 5.64 3.72 -1.26 -5.00 117.46 119.18 2k8d n PHE 81 Ca -0.02 -2.57 0.00 0.00 -0.05 0.00 0.00 57.45 54.81 2k8d n PHE 81 Cb 0.09 0.46 0.00 0.00 -0.94 0.00 0.00 39.48 39.09 2k8d n PHE 81 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2k8d n ASP 82 N -1.64 0.00 -2.60 4.37 2.03 -1.22 -4.56 116.55 112.93 2k8d n ASP 82 Ca 0.04 0.00 -0.25 0.00 0.52 0.00 0.00 54.79 55.09 2k8d n ASP 82 Cb 0.60 0.34 -0.09 0.00 -0.72 0.00 0.00 41.12 41.26 2k8d n ASP 82 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2k8d n SER 83 N -2.30 6.67 0.00 1.67 7.64 -1.26 -1.90 113.62 124.14 2k8d n SER 83 Ca 0.00 -2.81 0.00 0.00 1.01 0.00 0.00 58.87 57.07 2k8d n SER 83 Cb 0.00 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 61.82 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 2.11 -0.42 2.20 0.23 0.00 -1.26 -4.91 105.19 103.13 2k8d n GLY 84 Ca 0.54 0.19 -0.19 0.00 0.00 0.00 0.00 46.02 46.57 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 2.98 -1.54 2.61 -1.04 -1.25 -4.72 114.28 111.31 2k8d n THR 85 Ca 0.00 -1.62 -0.29 0.00 -2.04 0.00 0.00 64.05 60.11 2k8d n THR 85 Cb 0.00 -2.12 -0.06 0.00 -1.82 0.00 0.00 70.33 66.33 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 2.96 4.38 3.24 3.41 0.00 -0.80 -3.37 105.19 115.02 2k8d n GLY 86 Ca 0.48 -1.83 -0.13 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.09 1.20 -1.17 1.61 1.48 -1.26 -4.94 118.94 114.77 2k8d s TRP 87 Ca 0.59 -1.04 -0.20 0.00 -1.06 0.00 0.00 56.10 54.40 2k8d s TRP 87 Cb 0.32 -0.69 -0.04 0.00 -1.16 0.00 0.00 33.47 31.90 2k8d s TRP 87 CO -0.16 -0.23 1.92 -0.35 -4.06 0.00 0.00 176.95 174.07 2k8d n PRO 88 N -0.24 2.22 -4.11 3.25 -0.04 -1.26 -4.82 135.00 129.99 2k8d n PRO 88 Ca -0.06 -2.58 -0.12 0.00 -0.04 0.00 0.00 63.50 60.70 2k8d n PRO 88 Cb 0.63 -3.42 -0.11 0.00 -0.04 0.00 0.00 33.50 30.56 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 5.02 0.99 0.20 3.54 1.04 -1.26 -1.61 113.70 121.61 2k8d s SER 89 Ca 0.59 -0.78 -0.05 0.00 0.48 0.00 0.00 55.95 56.19 2k8d s SER 89 Cb 0.06 0.07 -0.03 0.00 0.10 0.00 0.00 66.02 66.22 2k8d s SER 89 CO 0.08 -0.34 0.22 0.72 0.98 0.00 0.00 173.24 174.91 2k8d s PHE 90 N -2.50 0.83 -0.15 5.02 -0.71 -0.28 -4.46 117.98 115.73 2k8d s PHE 90 Ca 0.01 -1.12 0.05 0.00 -1.04 0.00 0.00 56.93 54.83 2k8d s PHE 90 Cb -0.02 -0.31 -0.07 0.00 -1.21 0.00 0.00 43.02 41.41 2k8d s PHE 90 CO -0.02 -0.72 0.18 2.48 -1.34 0.00 0.00 175.22 175.80 2k8d n TYR 91 N -0.26 0.00 -3.86 3.49 0.18 -0.74 -0.26 117.16 115.70 2k8d n TYR 91 Ca -0.01 0.00 -0.09 0.00 1.88 0.00 0.00 57.90 59.68 2k8d n TYR 91 Cb 0.64 -0.05 0.00 0.00 -0.38 0.00 0.00 39.34 39.56 2k8d n TYR 91 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 2k8d s ASP 92 N -1.93 0.06 0.11 9.48 -1.08 -1.26 -4.61 116.67 117.45 2k8d s ASP 92 Ca 0.00 -1.07 0.10 0.00 -0.52 0.00 0.00 52.55 51.06 2k8d s ASP 92 Cb 0.04 0.79 -0.04 0.00 -1.46 0.00 0.00 42.92 42.25 2k8d s ASP 92 CO 0.22 -1.55 -0.26 -0.69 0.52 0.00 0.00 175.17 173.41 2k8d s VAL 93 N -2.79 2.12 0.11 1.11 1.01 -1.26 -4.83 120.40 115.87 2k8d s VAL 93 Ca 0.17 -1.67 -0.33 0.00 0.00 0.00 0.00 61.98 60.15 2k8d s VAL 93 Cb -0.05 -1.88 -0.12 0.00 0.00 0.00 0.00 36.38 34.33 2k8d s VAL 93 CO 0.12 0.09 1.57 1.62 0.00 0.00 0.00 175.10 178.49 2k8d h VAL 94 N 3.96 0.08 0.00 2.92 3.04 -1.95 -3.49 116.25 120.81 2k8d h VAL 94 Ca -0.49 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.20 2k8d h VAL 94 Cb 1.17 0.08 0.00 0.00 -2.01 0.00 0.00 31.29 30.53 2k8d h VAL 94 CO 0.40 0.00 0.00 -1.20 -1.01 0.00 0.00 177.57 175.76 2k8d n SER 95 N -5.48 0.00 -4.57 3.17 7.64 -1.26 -4.96 113.62 108.16 2k8d n SER 95 Ca -0.08 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.38 2k8d n SER 95 Cb 0.40 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.60 2k8d n SER 95 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2k8d n GLU 96 N -0.53 3.09 0.03 1.43 2.13 -1.26 -4.41 120.64 121.12 2k8d n GLU 96 Ca 0.00 -3.22 0.00 0.00 0.66 0.00 0.00 57.16 54.60 2k8d n GLU 96 Cb 0.00 -3.51 0.00 0.00 0.27 0.00 0.00 31.44 28.20 2k8d n GLU 96 CO 0.00 0.00 0.00 -2.39 -0.41 0.00 0.00 177.13 174.33 2k8d n HIS 97 N 8.76 -0.27 -0.50 4.31 1.44 -1.26 -4.83 115.22 122.86 2k8d n HIS 97 Ca 0.49 0.05 0.06 0.00 -2.01 0.00 0.00 57.72 56.30 2k8d n HIS 97 Cb 0.46 0.15 0.14 0.00 0.12 0.00 0.00 29.99 30.86 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 -3.09 2.81 -4.44 4.39 5.15 -1.26 -4.23 115.26 114.59 2k8d n ASN 98 Ca 0.00 -2.46 -0.27 0.00 -0.60 0.00 0.00 54.58 51.25 2k8d n ASN 98 Cb 0.23 -0.29 -0.12 0.00 -0.53 0.00 0.00 39.78 39.08 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 -1.81 2.46 -0.10 -1.44 2.07 -1.26 -0.79 121.20 120.33 2k8d s ILE 99 Ca 0.24 -1.93 0.03 0.00 -1.41 0.00 0.00 60.65 57.57 2k8d s ILE 99 Cb 0.17 -2.17 0.01 0.00 0.13 0.00 0.00 42.46 40.60 2k8d s ILE 99 CO 0.08 -0.08 -0.18 -0.75 -1.91 0.00 0.00 174.94 172.10 2k8d s LYS 100 N -2.59 2.38 0.04 3.50 2.47 0.67 -4.28 119.74 121.93 2k8d s LYS 100 Ca 0.20 -0.64 0.03 0.00 -1.56 0.00 0.00 55.97 54.01 2k8d s LYS 100 Cb -0.08 -1.91 -0.02 0.00 -1.46 0.00 0.00 37.83 34.35 2k8d s LYS 100 CO 0.10 0.04 -0.10 -0.48 0.16 0.00 0.00 175.35 175.07 2k8d s LEU 101 N 0.68 2.19 0.04 5.43 0.05 -1.26 -1.32 118.68 124.49 2k8d s LEU 101 Ca -0.13 -0.45 0.01 0.00 0.05 0.00 0.00 54.13 53.61 2k8d s LEU 101 Cb -0.16 -0.35 -0.03 0.00 -2.05 0.00 0.00 46.19 43.60 2k8d s LEU 101 CO 0.03 -0.07 -0.05 -0.13 -0.55 0.00 0.00 176.35 175.58 2k8d s ARG 102 N -1.20 0.45 -0.05 1.48 3.00 -1.25 -4.97 118.95 116.41 2k8d s ARG 102 Ca -0.04 -0.79 0.02 0.00 0.00 0.00 0.00 55.73 54.92 2k8d s ARG 102 Cb -0.08 -0.01 0.02 0.00 0.00 0.00 0.00 34.95 34.88 2k8d s ARG 102 CO 0.01 -0.03 -0.08 -2.00 0.00 0.00 0.00 175.30 173.20 2k8d s GLU 103 N -2.01 1.21 0.31 3.54 2.12 -1.26 -0.62 118.70 121.99 2k8d s GLU 103 Ca -0.09 -0.25 0.06 0.00 0.36 0.00 0.00 54.97 55.04 2k8d s GLU 103 Cb -0.06 -1.08 -0.02 0.00 0.26 0.00 0.00 34.13 33.22 2k8d s GLU 103 CO -0.02 -0.02 0.21 -3.47 -0.54 0.00 0.00 175.26 171.42 2k8d n ASP 104 N 3.87 -0.05 -1.13 -1.70 -0.08 0.44 -4.98 116.55 112.92 2k8d n ASP 104 Ca -0.24 -2.92 0.10 0.00 -1.51 0.00 0.00 54.79 50.22 2k8d n ASP 104 Cb 0.51 1.29 0.27 0.00 2.34 0.00 0.00 41.12 45.53 2k8d n ASP 104 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2k8d n ARG 105 N -0.64 2.73 0.00 -0.67 0.63 -1.26 -0.59 116.66 116.86 2k8d n ARG 105 Ca 0.03 -2.45 0.00 0.00 -0.92 0.00 0.00 57.85 54.51 2k8d n ARG 105 Cb 0.53 -1.48 0.00 0.00 0.45 0.00 0.00 32.46 31.97 2k8d n ARG 105 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2k8d n SER 106 N 1.31 0.00 -0.00 6.15 2.88 -1.26 -0.04 113.62 122.66 2k8d n SER 106 Ca 0.20 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.75 2k8d n SER 106 Cb 0.56 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.02 2k8d n SER 106 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k8d n LEU 107 N -0.05 0.10 0.00 2.46 -0.00 -1.26 -4.94 117.00 113.31 2k8d n LEU 107 Ca 0.00 -0.52 0.00 0.00 -0.00 0.00 0.00 56.01 55.49 2k8d n LEU 107 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2k8d n LEU 107 CO 0.00 0.02 0.00 0.61 -0.00 0.00 0.00 177.39 178.02 2k8d n GLY 108 N 0.99 1.57 1.02 1.47 0.00 0.94 -4.99 105.19 106.19 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 -0.13 0.00 0.00 0.00 173.32 173.19 2k8d n MET 109 N 0.00 0.00 -3.24 1.61 0.00 -0.84 -5.02 117.12 109.62 2k8d n MET 109 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 57.70 57.66 2k8d n MET 109 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.18 2k8d n MET 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2k8d s VAL 110 N -0.56 -0.78 -0.15 1.12 0.11 -1.26 -4.38 120.40 114.50 2k8d s VAL 110 Ca 0.00 -0.17 -0.02 0.00 -2.93 0.00 0.00 61.98 58.86 2k8d s VAL 110 Cb 0.00 -0.99 -0.02 0.00 -1.53 0.00 0.00 36.38 33.84 2k8d s VAL 110 CO 0.00 -0.17 -0.08 -0.60 -3.33 0.00 0.00 175.10 170.92 2k8d s ARG 111 N 2.66 3.51 0.03 1.54 3.52 0.24 -3.28 118.95 127.17 2k8d s ARG 111 Ca 0.10 -0.61 0.05 0.00 -0.13 0.00 0.00 55.73 55.15 2k8d s ARG 111 Cb -0.12 -2.80 -0.02 0.00 -1.56 0.00 0.00 34.95 30.46 2k8d s ARG 111 CO -0.28 0.18 -0.15 0.00 -0.81 0.00 0.00 175.30 174.23 2k8d s GLU 113 N -1.01 3.71 -0.20 0.00 -1.05 0.21 -0.34 118.70 120.01 2k8d s GLU 113 Ca 0.03 0.92 -0.03 0.00 -0.15 0.00 0.00 54.97 55.74 2k8d s GLU 113 Cb -0.08 -2.10 0.06 0.00 -0.44 0.00 0.00 34.13 31.58 2k8d s GLU 113 CO 0.01 -0.48 0.05 0.08 0.95 0.00 0.00 175.26 175.87 2k8d s VAL 114 N -2.81 0.49 0.20 1.83 1.01 -0.37 -3.81 120.40 116.95 2k8d s VAL 114 Ca 0.58 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 62.02 2k8d s VAL 114 Cb -0.11 -1.05 -0.05 0.00 0.00 0.00 0.00 36.38 35.17 2k8d s VAL 114 CO 0.41 -0.26 -0.10 -0.76 0.00 0.00 0.00 175.10 174.38 2k8d s LEU 115 N 1.87 2.49 0.54 3.92 1.02 -0.43 -1.32 118.68 126.76 2k8d s LEU 115 Ca 0.00 -1.07 -0.19 0.00 0.02 0.00 0.00 54.13 52.90 2k8d s LEU 115 Cb -0.17 -0.51 -0.06 0.00 0.02 0.00 0.00 46.19 45.47 2k8d s LEU 115 CO -0.10 -0.29 1.11 0.00 0.02 0.00 0.00 176.35 177.09 2k8d h ALA 117 N 1.15 -0.19 0.57 0.00 0.00 -1.15 -3.33 119.26 116.32 2k8d h ALA 117 Ca -0.50 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.20 2k8d h ALA 117 Cb 1.25 0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.12 2k8d h ALA 117 CO 0.57 -0.43 -0.27 -0.09 0.00 0.00 0.00 179.25 179.03 2k8d h ARG 118 N -0.55 -0.74 -2.83 0.00 1.12 -1.91 -3.42 114.38 106.06 2k8d h ARG 118 Ca -0.02 0.05 -0.61 0.00 -1.11 0.00 0.00 59.98 58.29 2k8d h ARG 118 Cb 0.43 0.17 -0.42 0.00 -0.01 0.00 0.00 29.97 30.14 2k8d h ARG 118 CO 0.03 -0.43 -0.60 0.00 -3.11 0.00 0.00 179.97 175.86 2k8d n ASP 120 N 1.71 0.00 0.30 0.00 9.92 -1.25 -4.01 116.55 123.22 2k8d n ASP 120 Ca 0.23 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 54.34 2k8d n ASP 120 Cb 0.37 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.78 2k8d n ASP 120 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k8d h ALA 121 N 0.73 -0.78 -1.10 2.24 0.00 -1.94 -3.47 119.26 114.95 2k8d h ALA 121 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2k8d h ALA 121 Cb 0.00 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2k8d h ALA 121 CO 0.00 -0.79 0.00 1.58 0.00 0.00 0.00 179.25 180.04 2k8d n HIS 122 N -5.32 -1.46 0.00 0.00 -0.00 -1.26 -5.11 115.22 102.07 2k8d n HIS 122 Ca -0.11 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.07 2k8d n HIS 122 Cb 0.34 0.32 0.00 0.00 -0.12 0.00 0.00 29.99 30.53 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 -1.95 0.00 0.00 0.27 4.77 -1.03 -4.65 117.00 114.41 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 -0.47 3.53 -0.72 0.00 -0.44 -0.44 105.19 106.65 2k8d n GLY 124 Ca 0.00 0.55 -0.13 0.00 0.00 0.00 0.00 46.02 46.44 2k8d n GLY 124 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k8d s HIS 125 N 0.00 0.88 0.06 1.61 3.76 -0.62 -1.23 115.29 119.75 2k8d s HIS 125 Ca 0.00 -1.17 0.04 0.00 -0.15 0.00 0.00 55.06 53.78 2k8d s HIS 125 Cb 0.00 0.03 -0.03 0.00 1.11 0.00 0.00 32.58 33.69 2k8d s HIS 125 CO 0.00 -1.14 -0.12 0.54 -0.85 0.00 0.00 174.74 173.17 2k8d s VAL 126 N -3.15 0.91 0.11 -0.90 0.11 0.53 -0.48 120.40 117.53 2k8d s VAL 126 Ca 0.28 -1.20 -0.09 0.00 -2.93 0.00 0.00 61.98 58.05 2k8d s VAL 126 Cb -0.01 -0.90 -0.00 0.00 -1.53 0.00 0.00 36.38 33.94 2k8d s VAL 126 CO 0.18 -0.26 0.21 0.72 -3.33 0.00 0.00 175.10 172.62 2k8d s PHE 127 N -1.27 0.23 -0.03 1.54 -0.71 -0.44 -0.89 117.98 116.40 2k8d s PHE 127 Ca -0.04 -0.64 -0.30 0.00 -1.04 0.00 0.00 56.93 54.91 2k8d s PHE 127 Cb -0.10 -0.07 -0.06 0.00 -1.21 0.00 0.00 43.02 41.59 2k8d s PHE 127 CO 0.02 -0.59 1.61 0.34 -1.34 0.00 0.00 175.22 175.26 2k8d s ASP 128 N -2.89 6.69 0.00 1.98 2.15 -1.21 0.07 116.67 123.47 2k8d s ASP 128 Ca 0.08 2.24 0.00 0.00 0.43 0.00 0.00 52.55 55.30 2k8d s ASP 128 Cb 0.04 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.12 2k8d s ASP 128 CO -0.08 -0.89 0.00 -0.67 -0.17 0.00 0.00 175.17 173.36 2k8d n ASP 129 N 6.66 0.00 -4.79 -0.34 2.03 -0.08 -4.89 116.55 115.15 2k8d n ASP 129 Ca 0.16 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 55.12 2k8d n ASP 129 Cb 0.43 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.79 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 -0.96 2.62 0.21 0.27 0.00 0.96 -4.95 107.32 105.47 2k8d s GLY 130 Ca 0.00 0.68 0.25 0.00 0.00 0.00 0.00 44.72 45.65 2k8d s GLY 130 CO 0.00 1.05 1.75 -1.55 0.00 0.00 0.00 173.10 174.35 2k8d n PRO 131 N -0.64 0.22 0.00 2.90 -0.04 -1.26 -4.35 135.00 131.82 2k8d n PRO 131 Ca 0.08 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 2k8d n PRO 131 Cb 0.51 -1.81 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 2k8d n PRO 131 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2k8d n ARG 132 N -2.19 0.00 0.00 0.54 1.85 -1.26 -4.92 116.66 110.68 2k8d n ARG 132 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.89 2k8d n ARG 132 Cb 0.34 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.75 2k8d n ARG 132 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 2k8d n PRO 133 N -0.24 0.00 0.00 2.89 -0.04 -1.26 -4.42 135.00 131.93 2k8d n PRO 133 Ca 0.00 0.41 0.07 0.00 -0.04 0.00 0.00 63.50 63.94 2k8d n PRO 133 Cb 0.00 -1.14 0.33 0.00 -0.04 0.00 0.00 33.50 32.65 2k8d n PRO 133 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2k8d n THR 134 N -1.73 0.90 0.00 0.52 5.66 -1.26 -4.88 114.28 113.48 2k8d n THR 134 Ca 0.00 0.23 0.00 0.00 -3.05 0.00 0.00 64.05 61.23 2k8d n THR 134 Cb 0.00 -0.97 0.00 0.00 -1.55 0.00 0.00 70.33 67.81 2k8d n THR 134 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2k8d n GLY 135 N 0.04 2.73 3.92 1.09 0.00 -1.26 -5.00 105.19 106.71 2k8d n GLY 135 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.21 3.52 -0.24 1.61 -2.85 -1.26 -0.03 119.74 120.29 2k8d s LYS 136 Ca 0.00 -0.33 0.01 0.00 -1.00 0.00 0.00 55.97 54.65 2k8d s LYS 136 Cb 0.00 -2.90 0.06 0.00 -2.06 0.00 0.00 37.83 32.93 2k8d s LYS 136 CO 0.00 0.48 -0.04 0.50 0.10 0.00 0.00 175.35 176.39 2k8d s ARG 137 N -2.94 1.55 0.18 1.78 3.52 0.11 -4.51 118.95 118.65 2k8d s ARG 137 Ca 0.38 -0.98 -0.23 0.00 -0.13 0.00 0.00 55.73 54.77 2k8d s ARG 137 Cb -0.12 -2.57 -0.08 0.00 -1.56 0.00 0.00 34.95 30.63 2k8d s ARG 137 CO 0.28 -0.61 0.74 0.71 -0.81 0.00 0.00 175.30 175.60 2k8d s TYR 138 N 1.41 3.80 -0.05 5.12 1.51 0.64 -1.33 117.35 128.45 2k8d s TYR 138 Ca -0.05 1.52 -0.09 0.00 -1.01 0.00 0.00 57.07 57.44 2k8d s TYR 138 Cb -0.19 -2.69 0.02 0.00 -0.11 0.00 0.00 41.96 38.98 2k8d s TYR 138 CO -0.07 0.45 0.21 0.00 -1.11 0.00 0.00 175.55 175.03 2k8d s MET 140 N -0.59 0.46 -0.06 0.00 0.23 -0.63 -1.58 119.30 117.12 2k8d s MET 140 Ca -0.07 -0.66 -0.05 0.00 -1.03 0.00 0.00 55.69 53.88 2k8d s MET 140 Cb -0.04 0.18 0.02 0.00 -1.53 0.00 0.00 34.83 33.45 2k8d s MET 140 CO 0.01 -0.10 0.16 1.21 -2.03 0.00 0.00 175.02 174.27 2k8d s ASN 141 N -1.77 -0.16 -0.08 -1.18 2.47 0.42 -4.67 114.94 109.97 2k8d s ASN 141 Ca -0.10 0.32 -0.31 0.00 0.42 0.00 0.00 52.86 53.18 2k8d s ASN 141 Cb -0.05 0.30 0.12 0.00 -1.45 0.00 0.00 41.25 40.17 2k8d s ASN 141 CO -0.02 -0.07 1.39 -0.94 -3.72 0.00 0.00 177.10 173.74 2k8d s SER 142 N 0.27 -0.00 0.00 -4.21 1.04 -1.26 -2.45 113.70 107.08 2k8d s SER 142 Ca -0.02 -0.04 0.13 0.00 0.48 0.00 0.00 55.95 56.51 2k8d s SER 142 Cb -0.03 0.03 0.78 0.00 0.10 0.00 0.00 66.02 66.91 2k8d s SER 142 CO -0.01 -0.06 1.23 0.00 0.98 0.00 0.00 173.24 175.38 2k8d n ALA 143 N -0.75 2.16 1.35 5.32 0.00 -1.26 -3.81 120.51 123.52 2k8d n ALA 143 Ca -0.02 -0.08 0.14 0.00 0.00 0.00 0.00 53.44 53.49 2k8d n ALA 143 Cb 0.61 -1.21 0.67 0.00 0.00 0.00 0.00 19.45 19.52 2k8d n ALA 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k8d n ALA 144 N -0.85 2.60 -2.59 0.00 0.00 -1.26 -4.38 120.51 114.03 2k8d n ALA 144 Ca 0.10 -0.18 -0.43 0.00 0.00 0.00 0.00 53.44 52.93 2k8d n ALA 144 Cb 0.05 -1.42 -0.04 0.00 0.00 0.00 0.00 19.45 18.03 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 -2.62 4.02 0.04 0.00 1.43 -1.25 -0.39 118.68 119.92 2k8d s LEU 145 Ca 0.26 0.43 -0.02 0.00 -1.03 0.00 0.00 54.13 53.76 2k8d s LEU 145 Cb 0.20 -3.20 -0.03 0.00 0.03 0.00 0.00 46.19 43.19 2k8d s LEU 145 CO 0.49 -0.88 0.01 -0.75 0.23 0.00 0.00 176.35 175.45 2k8d s LYS 146 N 3.47 0.56 0.44 1.70 2.20 -0.92 -4.87 119.74 122.33 2k8d s LYS 146 Ca 0.37 -0.98 -0.01 0.00 -0.36 0.00 0.00 55.97 54.99 2k8d s LYS 146 Cb -0.12 0.20 -0.01 0.00 -1.51 0.00 0.00 37.83 36.39 2k8d s LYS 146 CO 0.20 -0.12 0.67 -0.06 -0.36 0.00 0.00 175.35 175.68 2k8d s PHE 147 N -3.13 3.34 0.26 4.03 0.08 -1.26 -0.44 117.98 120.86 2k8d s PHE 147 Ca -0.00 0.37 0.01 0.00 0.12 0.00 0.00 56.93 57.43 2k8d s PHE 147 Cb 0.02 -2.23 -0.05 0.00 -0.57 0.00 0.00 43.02 40.20 2k8d s PHE 147 CO -0.07 -0.25 0.12 0.96 -0.10 0.00 0.00 175.22 175.88 2k8d s ILE 148 N -2.55 0.39 1.17 0.64 -4.36 -0.01 -4.73 121.20 111.75 2k8d s ILE 148 Ca 0.46 -2.00 -0.17 0.00 -0.26 0.00 0.00 60.65 58.68 2k8d s ILE 148 Cb -0.10 -2.58 0.19 0.00 1.25 0.00 0.00 42.46 41.22 2k8d s ILE 148 CO 0.39 0.00 0.37 -0.81 0.24 0.00 0.00 174.94 175.13 2k8d n PRO 149 N -0.46 -2.28 -0.29 0.37 -0.04 -1.26 -0.94 135.00 130.09 2k8d n PRO 149 Ca 0.01 -0.65 0.27 0.00 -0.04 0.00 0.00 63.50 63.08 2k8d n PRO 149 Cb 0.66 -1.81 0.47 0.00 -0.04 0.00 0.00 33.50 32.78 2k8d n PRO 149 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2k8d n ARG 150 N -3.16 -0.04 0.00 0.54 3.00 -1.26 -3.29 116.66 112.45 2k8d n ARG 150 Ca 0.03 0.99 0.00 0.00 -0.01 0.00 0.00 57.85 58.86 2k8d n ARG 150 Cb 0.57 -1.86 0.00 0.00 0.00 0.00 0.00 32.46 31.17 2k8d n ARG 150 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2k8d n ASP 151 N -4.47 0.00 -0.32 0.55 -0.08 -1.26 -4.61 116.55 106.36 2k8d n ASP 151 Ca 0.29 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.60 2k8d n ASP 151 Cb 1.06 0.00 0.07 0.00 2.34 0.00 0.00 41.12 44.60 2k8d n ASP 151 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k8d n GLN 152 N 0.00 2.54 0.18 -0.67 1.13 -1.26 -4.85 117.38 114.45 2k8d n GLN 152 Ca 0.00 -1.67 0.14 0.00 -1.94 0.00 0.00 57.00 53.53 2k8d n GLN 152 Cb 0.00 -1.14 0.58 0.00 0.11 0.00 0.00 30.24 29.79 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 1.06 0.00 0.00 5.09 -0.00 -1.94 -3.51 117.51 118.21 2k8d h ILE 153 Ca 0.00 -0.30 0.00 0.00 -0.00 0.00 0.00 64.86 64.56 2k8d h ILE 153 Cb 0.57 1.12 0.00 0.00 -0.00 0.00 0.00 36.82 38.51 2k8d h ILE 153 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 178.15 178.76