#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 -1.45 0.00 3.17 4.76 -1.26 -4.86 118.16 118.52 2k8d n LYS 5 Ca 0.00 -0.38 0.00 0.00 -2.87 0.00 0.00 58.31 55.06 2k8d n LYS 5 Cb 0.00 -2.17 0.00 0.00 -1.84 0.00 0.00 35.03 31.02 2k8d n LYS 5 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2k8d n ASP 6 N -4.06 1.10 -3.96 4.39 2.03 -1.26 -4.68 116.55 110.11 2k8d n ASP 6 Ca 0.06 -1.72 -0.09 0.00 0.52 0.00 0.00 54.79 53.56 2k8d n ASP 6 Cb 0.54 -0.43 -0.10 0.00 -0.72 0.00 0.00 41.12 40.41 2k8d n ASP 6 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2k8d s ARG 7 N -0.84 0.54 -0.23 -0.67 0.52 -1.26 -1.30 118.95 115.70 2k8d s ARG 7 Ca 0.00 -0.78 -0.01 0.00 -0.52 0.00 0.00 55.73 54.42 2k8d s ARG 7 Cb 0.00 0.21 0.07 0.00 0.52 0.00 0.00 34.95 35.75 2k8d s ARG 7 CO 0.00 -0.12 0.02 0.96 0.02 0.00 0.00 175.30 176.18 2k8d s ILE 8 N -2.54 0.90 -0.58 1.52 -4.36 0.10 -4.82 121.20 111.42 2k8d s ILE 8 Ca -0.06 -0.95 -0.27 0.00 -0.26 0.00 0.00 60.65 59.11 2k8d s ILE 8 Cb -0.02 -1.40 0.01 0.00 1.25 0.00 0.00 42.46 42.30 2k8d s ILE 8 CO -0.04 -0.29 1.52 -2.16 0.24 0.00 0.00 174.94 174.21 2k8d s PRO 9 N 1.67 3.14 -0.75 0.37 0.04 -1.26 -1.77 135.00 136.43 2k8d s PRO 9 Ca 0.00 0.46 -0.23 0.00 0.04 0.00 0.00 61.00 61.26 2k8d s PRO 9 Cb -0.18 -4.19 0.07 0.00 0.04 0.00 0.00 34.50 30.23 2k8d s PRO 9 CO -0.11 -2.14 1.12 0.42 0.04 0.00 0.00 177.00 176.33 2k8d s ILE 10 N 6.73 4.17 -0.81 0.56 1.01 0.71 -3.93 121.20 129.64 2k8d s ILE 10 Ca 0.55 -0.36 -0.25 0.00 0.00 0.00 0.00 60.65 60.59 2k8d s ILE 10 Cb -0.12 -4.80 0.01 0.00 0.01 0.00 0.00 42.46 37.56 2k8d s ILE 10 CO 0.23 -1.62 1.60 -0.36 0.00 0.00 0.00 174.94 174.78 2k8d s PHE 11 N 4.43 2.09 -0.59 3.97 0.40 -1.26 -0.48 117.98 126.54 2k8d s PHE 11 Ca 0.29 0.10 -0.20 0.00 -0.60 0.00 0.00 56.93 56.53 2k8d s PHE 11 Cb -0.11 -4.40 -0.17 0.00 0.51 0.00 0.00 43.02 38.85 2k8d s PHE 11 CO 0.07 -2.04 1.83 0.43 0.70 0.00 0.00 175.22 176.20 2k8d n SER 12 N 10.99 2.43 -0.02 1.36 7.64 -0.27 -4.74 113.62 131.01 2k8d n SER 12 Ca 0.22 -2.54 -0.01 0.00 1.01 0.00 0.00 58.87 57.55 2k8d n SER 12 Cb 0.50 -0.95 0.27 0.00 -1.01 0.00 0.00 64.21 63.02 2k8d n SER 12 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 2k8d h VAL 13 N 4.38 1.21 0.00 0.44 3.04 -1.90 -0.17 116.25 123.24 2k8d h VAL 13 Ca 0.37 -0.81 0.00 0.00 -1.01 0.00 0.00 66.70 65.25 2k8d h VAL 13 Cb 0.55 0.92 0.00 0.00 -2.01 0.00 0.00 31.29 30.74 2k8d h VAL 13 CO 1.83 0.28 0.00 0.00 -1.01 0.00 0.00 177.57 178.67 2k8d n ALA 14 N -2.48 1.17 -0.46 3.17 0.00 -1.26 -0.73 120.51 119.92 2k8d n ALA 14 Ca 0.02 0.06 0.02 0.00 0.00 0.00 0.00 53.44 53.54 2k8d n ALA 14 Cb 0.25 -1.16 0.03 0.00 0.00 0.00 0.00 19.45 18.58 2k8d n ALA 14 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2k8d n LYS 15 N -1.77 2.10 -3.34 0.00 4.81 -0.31 -4.98 118.16 114.67 2k8d n LYS 15 Ca 0.00 -1.61 -0.16 0.00 -0.87 0.00 0.00 58.31 55.67 2k8d n LYS 15 Cb 0.05 -1.03 0.00 0.00 0.02 0.00 0.00 35.03 34.07 2k8d n LYS 15 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2k8d n ASN 16 N -0.64 -2.54 -4.32 3.14 2.85 0.09 -5.02 115.26 108.83 2k8d n ASN 16 Ca 0.04 -0.57 -0.17 0.00 -0.11 0.00 0.00 54.58 53.77 2k8d n ASN 16 Cb 0.39 -0.87 -0.10 0.00 1.24 0.00 0.00 39.78 40.44 2k8d n ASN 16 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 2k8d s ARG 17 N -4.12 1.31 -0.30 1.20 0.52 -0.23 -4.97 118.95 112.35 2k8d s ARG 17 Ca 0.05 -1.66 -0.01 0.00 -0.52 0.00 0.00 55.73 53.59 2k8d s ARG 17 Cb -0.03 -0.58 0.12 0.00 0.52 0.00 0.00 34.95 34.98 2k8d s ARG 17 CO 0.50 -0.10 0.23 0.08 0.02 0.00 0.00 175.30 176.04 2k8d s VAL 18 N -3.44 -0.24 -0.55 3.52 1.01 -1.26 -1.12 120.40 118.33 2k8d s VAL 18 Ca 0.28 -0.71 -0.20 0.00 0.00 0.00 0.00 61.98 61.35 2k8d s VAL 18 Cb 0.06 -0.97 0.07 0.00 0.00 0.00 0.00 36.38 35.54 2k8d s VAL 18 CO 0.08 -0.61 0.72 -1.61 0.00 0.00 0.00 175.10 173.68 2k8d s GLU 19 N 2.11 3.12 -1.02 2.72 0.41 0.37 -4.84 118.70 121.56 2k8d s GLU 19 Ca 0.10 -0.93 -0.23 0.00 -0.41 0.00 0.00 54.97 53.50 2k8d s GLU 19 Cb -0.15 -4.15 0.03 0.00 -1.78 0.00 0.00 34.13 28.07 2k8d s GLU 19 CO -0.30 -1.40 1.57 1.41 -0.49 0.00 0.00 175.26 176.06 2k8d s MET 20 N 2.94 3.40 0.66 1.61 1.75 -1.26 -0.21 119.30 128.19 2k8d s MET 20 Ca 0.17 -1.03 -0.06 0.00 -1.25 0.00 0.00 55.69 53.52 2k8d s MET 20 Cb -0.20 -5.32 0.04 0.00 2.84 0.00 0.00 34.83 32.20 2k8d s MET 20 CO 0.11 -2.47 0.97 0.08 -0.65 0.00 0.00 175.02 173.06 2k8d s VAL 21 N 6.00 2.74 0.42 10.11 1.01 -0.73 -4.81 120.40 135.13 2k8d s VAL 21 Ca 0.52 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 62.29 2k8d s VAL 21 Cb -0.01 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 33.20 2k8d s VAL 21 CO -0.07 -0.15 0.65 -1.61 0.00 0.00 0.00 175.10 173.93 2k8d s GLU 22 N -5.14 3.33 0.69 2.72 2.02 -1.26 0.02 118.70 121.09 2k8d s GLU 22 Ca 0.58 -0.26 -0.17 0.00 0.02 0.00 0.00 54.97 55.15 2k8d s GLU 22 Cb -0.11 -2.55 0.02 0.00 0.10 0.00 0.00 34.13 31.59 2k8d s GLU 22 CO 0.45 -0.10 1.27 1.03 0.02 0.00 0.00 175.26 177.93 2k8d s ARG 23 N -4.51 2.28 0.16 1.61 0.52 -0.42 -4.62 118.95 113.96 2k8d s ARG 23 Ca 0.45 1.98 -0.31 0.00 -0.52 0.00 0.00 55.73 57.32 2k8d s ARG 23 Cb -0.10 -1.82 -0.09 0.00 0.52 0.00 0.00 34.95 33.45 2k8d s ARG 23 CO 0.39 -1.79 1.50 -1.50 0.02 0.00 0.00 175.30 173.93 2k8d s ILE 24 N -1.61 2.83 -0.22 1.52 1.10 -1.26 -4.98 121.20 118.57 2k8d s ILE 24 Ca 0.80 0.61 -0.08 0.00 -0.51 0.00 0.00 60.65 61.47 2k8d s ILE 24 Cb -0.35 -3.39 0.10 0.00 0.15 0.00 0.00 42.46 38.97 2k8d s ILE 24 CO 0.43 0.05 0.47 -1.61 -2.11 0.00 0.00 174.94 172.17 2k8d s GLU 25 N 1.01 0.38 0.29 3.50 0.41 -1.26 -5.07 118.70 117.96 2k8d s GLU 25 Ca 0.67 1.13 -0.00 0.00 -0.41 0.00 0.00 54.97 56.36 2k8d s GLU 25 Cb -0.41 0.46 -0.02 0.00 -1.78 0.00 0.00 34.13 32.37 2k8d s GLU 25 CO 0.32 -0.24 0.32 -0.51 -0.49 0.00 0.00 175.26 174.66 2k8d s LEU 26 N 2.68 1.18 0.31 1.80 1.43 -1.26 -5.17 118.68 119.65 2k8d s LEU 26 Ca -0.03 -1.47 -0.02 0.00 -1.03 0.00 0.00 54.13 51.58 2k8d s LEU 26 Cb -0.12 0.93 -0.04 0.00 0.03 0.00 0.00 46.19 46.99 2k8d s LEU 26 CO -0.14 -1.08 0.54 -0.44 0.23 0.00 0.00 176.35 175.45 2k8d s SER 27 N -3.23 6.36 0.38 2.29 0.01 -1.26 -5.02 113.70 113.23 2k8d s SER 27 Ca 0.35 0.56 0.10 0.00 1.31 0.00 0.00 55.95 58.27 2k8d s SER 27 Cb 0.02 -2.08 0.86 0.00 0.21 0.00 0.00 66.02 65.04 2k8d s SER 27 CO 0.19 -0.23 1.90 0.44 0.41 0.00 0.00 173.24 175.95 2k8d h ASP 28 N 1.27 0.59 0.86 2.44 5.19 -2.02 -1.20 116.42 123.54 2k8d h ASP 28 Ca -0.49 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 2k8d h ASP 28 Cb 1.20 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.62 2k8d h ASP 28 CO 0.64 0.32 0.00 0.44 -3.12 0.00 0.00 179.24 177.52 2k8d h ASP 29 N 0.63 0.00 -0.23 6.45 3.32 -2.04 -3.15 116.42 121.40 2k8d h ASP 29 Ca 0.40 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.35 2k8d h ASP 29 Cb 0.67 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.21 2k8d h ASP 29 CO -0.16 0.00 -0.27 -0.33 -1.72 0.00 0.00 179.24 176.76 2k8d h GLU 30 N 0.00 0.58 -0.00 3.56 4.39 -1.62 -3.32 114.58 118.18 2k8d h GLU 30 Ca 0.00 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.38 2k8d h GLU 30 Cb 0.43 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2k8d h GLU 30 CO 0.00 0.92 0.00 0.91 -1.16 0.00 0.00 179.01 179.68 2k8d n TRP 31 N -4.34 0.00 -0.01 4.33 7.02 -1.19 -0.81 117.44 122.44 2k8d n TRP 31 Ca -0.05 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.43 2k8d n TRP 31 Cb 0.45 -0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.34 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 -0.45 3.19 0.00 -0.99 0.00 -1.25 -4.32 116.66 112.85 2k8d n ARG 32 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2k8d n ARG 32 Cb 0.00 -0.24 0.00 0.00 -0.00 0.00 0.00 32.46 32.22 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 -0.46 3.62 0.00 2.89 0.28 0.01 -4.70 120.64 122.28 2k8d n GLU 33 Ca 0.00 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.04 2k8d n GLU 33 Cb 0.00 -0.52 0.01 0.00 1.43 0.00 0.00 31.44 32.36 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 -0.79 0.00 -2.53 3.84 -5.35 -0.52 -5.07 119.36 108.94 2k8d n ILE 34 Ca 0.00 -0.46 -0.23 0.00 -0.27 0.00 0.00 62.75 61.79 2k8d n ILE 34 Cb 0.00 1.12 0.07 0.00 -1.74 0.00 0.00 39.64 39.09 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 -1.10 3.07 0.23 7.28 0.20 -1.26 -5.05 118.68 122.05 2k8d s LEU 35 Ca 0.07 -0.08 -0.32 0.00 0.69 0.00 0.00 54.13 54.50 2k8d s LEU 35 Cb 0.06 -2.53 -0.13 0.00 -0.43 0.00 0.00 46.19 43.16 2k8d s LEU 35 CO 0.15 -1.54 1.46 0.47 -0.29 0.00 0.00 176.35 176.60 2k8d n ASP 36 N -2.66 2.96 0.28 3.68 9.92 -1.26 -4.89 116.55 124.58 2k8d n ASP 36 Ca 0.11 1.13 0.17 0.00 -0.53 0.00 0.00 54.79 55.67 2k8d n ASP 36 Cb 0.60 -1.45 0.77 0.00 -0.64 0.00 0.00 41.12 40.40 2k8d n ASP 36 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2k8d h PRO 37 N 4.63 0.00 -0.01 -0.24 0.13 -1.96 0.57 132.00 135.12 2k8d h PRO 37 Ca -0.45 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.51 2k8d h PRO 37 Cb 1.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 2k8d h PRO 37 CO 0.79 0.04 -0.76 1.49 -0.23 0.00 0.00 178.00 179.33 2k8d h GLU 38 N 0.00 0.10 -0.84 0.86 4.81 -2.00 -3.33 114.58 114.18 2k8d h GLU 38 Ca -0.00 -0.09 0.04 0.00 -0.13 0.00 0.00 59.36 59.18 2k8d h GLU 38 Cb 0.42 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.77 2k8d h GLU 38 CO 0.01 0.81 0.53 0.00 -0.73 0.00 0.00 179.01 179.63 2k8d h ALA 39 N 1.16 1.11 -0.28 2.92 0.00 -1.20 0.32 119.26 123.29 2k8d h ALA 39 Ca -0.02 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.90 2k8d h ALA 39 Cb 1.34 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 2k8d h ALA 39 CO 0.11 0.33 0.07 0.35 0.00 0.00 0.00 179.25 180.11 2k8d h PHE 40 N 1.01 0.13 -0.14 0.00 3.57 -1.67 0.98 116.94 120.82 2k8d h PHE 40 Ca 0.34 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.80 2k8d h PHE 40 Cb 0.06 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.78 2k8d h PHE 40 CO -0.03 0.05 -0.14 0.07 -2.23 0.00 0.00 178.31 176.03 2k8d h ARG 41 N 0.19 0.33 -0.04 1.11 0.11 -1.43 -3.21 114.38 111.44 2k8d h ARG 41 Ca 0.13 -0.18 0.01 0.00 0.10 0.00 0.00 59.98 60.04 2k8d h ARG 41 Cb 0.12 0.01 -0.00 0.00 1.11 0.00 0.00 29.97 31.20 2k8d h ARG 41 CO -0.15 0.72 0.06 0.28 0.10 0.00 0.00 179.97 180.99 2k8d h VAL 42 N -0.05 0.34 0.00 0.08 2.07 -0.10 0.30 116.25 118.90 2k8d h VAL 42 Ca 0.02 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.51 2k8d h VAL 42 Cb 0.66 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2k8d h VAL 42 CO 0.03 0.00 -0.13 0.00 0.02 0.00 0.00 177.57 177.49 2k8d h ALA 43 N 1.91 1.74 0.07 1.67 0.00 -0.81 -0.55 119.26 123.29 2k8d h ALA 43 Ca 0.02 -0.12 -0.34 0.00 0.00 0.00 0.00 54.91 54.47 2k8d h ALA 43 Cb 0.15 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2k8d h ALA 43 CO -0.00 0.16 -1.96 2.89 0.00 0.00 0.00 179.25 180.34 2k8d n ARG 44 N -4.32 0.71 -0.17 0.00 1.85 0.10 -4.37 116.66 110.47 2k8d n ARG 44 Ca -0.03 0.25 0.11 0.00 -1.00 0.00 0.00 57.85 57.18 2k8d n ARG 44 Cb 0.20 -1.71 0.28 0.00 -1.05 0.00 0.00 32.46 30.18 2k8d n ARG 44 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 2k8d n LYS 45 N -3.30 2.16 -1.19 2.89 2.85 -0.85 -4.93 118.16 115.78 2k8d n LYS 45 Ca -0.28 -1.76 -0.08 0.00 -1.05 0.00 0.00 58.31 55.14 2k8d n LYS 45 Cb 1.05 -1.44 -0.03 0.00 -0.65 0.00 0.00 35.03 33.95 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 0.96 -0.12 0.00 0.58 0.00 -0.23 -1.09 120.51 120.61 2k8d n ALA 46 Ca 0.18 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.75 2k8d n ALA 46 Cb 0.47 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 -0.12 2.38 3.37 0.00 0.00 -1.08 -2.96 105.19 106.79 2k8d n GLY 47 Ca -0.08 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.30 -0.80 0.56 2.61 2.01 -0.25 -5.00 115.64 112.47 2k8d s THR 48 Ca 0.00 0.00 -0.20 0.00 0.31 0.00 0.00 61.69 61.80 2k8d s THR 48 Cb 0.00 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.45 2k8d s THR 48 CO 0.00 0.00 1.05 -0.62 -0.69 0.00 0.00 174.62 174.36 2k8d n GLU 49 N 5.34 1.14 -1.98 4.92 -0.58 -1.25 -4.94 120.64 123.30 2k8d n GLU 49 Ca -0.07 0.43 -0.42 0.00 -0.42 0.00 0.00 57.16 56.67 2k8d n GLU 49 Cb 0.51 -2.23 -0.03 0.00 -0.57 0.00 0.00 31.44 29.12 2k8d n GLU 49 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2k8d s PRO 50 N -2.65 4.19 0.72 3.49 0.04 -1.26 -4.99 135.00 134.54 2k8d s PRO 50 Ca 0.73 2.24 -0.12 0.00 0.04 0.00 0.00 61.00 63.88 2k8d s PRO 50 Cb -0.44 -3.89 0.03 0.00 0.04 0.00 0.00 34.50 30.23 2k8d s PRO 50 CO 0.49 -0.81 1.09 -1.25 0.04 0.00 0.00 177.00 176.56 2k8d s PRO 51 N 3.68 2.56 0.34 0.56 0.04 -1.26 -4.97 135.00 135.94 2k8d s PRO 51 Ca 0.74 1.22 0.00 0.00 0.04 0.00 0.00 61.00 63.00 2k8d s PRO 51 Cb -0.35 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.26 2k8d s PRO 51 CO 0.31 -1.42 0.00 0.34 0.04 0.00 0.00 177.00 176.27 2k8d n PHE 52 N -3.04 -3.21 -3.28 0.56 -0.00 -1.26 -5.02 117.46 102.21 2k8d n PHE 52 Ca 0.09 0.82 -0.28 0.00 -0.00 0.00 0.00 57.45 58.08 2k8d n PHE 52 Cb 0.53 1.71 -0.06 0.00 -0.00 0.00 0.00 39.48 41.66 2k8d n PHE 52 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 2k8d n THR 53 N -3.43 2.82 0.00 -2.13 -2.24 -1.26 -5.01 114.28 103.03 2k8d n THR 53 Ca 0.00 -5.37 0.00 0.00 -2.27 0.00 0.00 64.05 56.41 2k8d n THR 53 Cb 0.00 -1.95 0.00 0.00 -2.10 0.00 0.00 70.33 66.28 2k8d n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k8d n GLY 54 N 0.64 1.78 3.27 3.38 0.00 -1.26 -5.17 105.19 107.84 2k8d n GLY 54 Ca 0.30 -1.29 -0.11 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.95 0.92 0.34 1.61 2.20 -1.26 -4.99 119.74 116.60 2k8d s LYS 55 Ca 0.00 -0.66 -0.01 0.00 -0.36 0.00 0.00 55.97 54.94 2k8d s LYS 55 Cb 0.00 0.40 0.01 0.00 -1.51 0.00 0.00 37.83 36.72 2k8d s LYS 55 CO 0.00 -0.32 0.46 0.98 -0.36 0.00 0.00 175.35 176.10 2k8d n TYR 56 N 0.15 -1.37 -3.65 4.03 9.36 -1.26 -5.20 117.16 119.21 2k8d n TYR 56 Ca -0.17 -2.30 -0.06 0.00 3.32 0.00 0.00 57.90 58.69 2k8d n TYR 56 Cb 0.62 0.51 -0.02 0.00 -0.63 0.00 0.00 39.34 39.82 2k8d n TYR 56 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 2k8d s HIS 57 N -3.01 -0.23 0.32 2.98 2.46 -1.26 -5.19 115.29 111.35 2k8d s HIS 57 Ca 0.29 -0.02 0.05 0.00 0.47 0.00 0.00 55.06 55.85 2k8d s HIS 57 Cb -0.01 0.60 -0.06 0.00 -0.13 0.00 0.00 32.58 32.98 2k8d s HIS 57 CO 0.21 -0.76 0.02 -0.51 -2.47 0.00 0.00 174.74 171.23 2k8d s ASP 58 N -2.77 2.64 -0.26 9.88 1.01 -1.26 -5.16 116.67 120.75 2k8d s ASP 58 Ca 0.09 -1.32 -0.05 0.00 0.71 0.00 0.00 52.55 51.98 2k8d s ASP 58 Cb -0.01 -0.14 0.14 0.00 1.01 0.00 0.00 42.92 43.91 2k8d s ASP 58 CO -0.02 -0.52 0.51 -0.22 0.21 0.00 0.00 175.17 175.14 2k8d s LEU 59 N -3.50 -0.99 0.20 1.23 0.20 -1.26 -5.14 118.68 109.43 2k8d s LEU 59 Ca 0.34 0.88 -0.06 0.00 0.69 0.00 0.00 54.13 55.97 2k8d s LEU 59 Cb 0.08 1.75 -0.02 0.00 -0.43 0.00 0.00 46.19 47.57 2k8d s LEU 59 CO 0.15 -0.26 0.27 -1.00 -0.29 0.00 0.00 176.35 175.22 2k8d s HIS 60 N 2.73 0.74 -0.11 5.38 3.76 -1.26 -5.08 115.29 121.46 2k8d s HIS 60 Ca 0.09 -1.04 0.14 0.00 -0.15 0.00 0.00 55.06 54.09 2k8d s HIS 60 Cb -0.14 -0.22 0.27 0.00 1.11 0.00 0.00 32.58 33.60 2k8d s HIS 60 CO -0.18 -0.76 1.13 -0.40 -0.85 0.00 0.00 174.74 173.68 2k8d n ASP 61 N -0.29 1.57 -4.50 1.40 5.75 -1.26 -5.05 116.55 114.18 2k8d n ASP 61 Ca -0.01 -2.91 -0.24 0.00 -0.01 0.00 0.00 54.79 51.61 2k8d n ASP 61 Cb 0.64 -0.39 -0.10 0.00 -1.03 0.00 0.00 41.12 40.24 2k8d n ASP 61 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2k8d s ASP 62 N -2.45 3.35 0.00 -1.12 2.15 -1.26 -4.38 116.67 112.96 2k8d s ASP 62 Ca 0.26 -1.19 0.00 0.00 0.43 0.00 0.00 52.55 52.05 2k8d s ASP 62 Cb 0.25 -0.28 0.00 0.00 -0.30 0.00 0.00 42.92 42.59 2k8d s ASP 62 CO -0.02 -0.25 0.00 0.61 -0.17 0.00 0.00 175.17 175.35 2k8d n GLY 63 N -0.71 -2.85 3.36 2.66 0.00 -1.26 -4.64 105.19 101.75 2k8d n GLY 63 Ca -0.05 -1.88 -0.19 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.56 1.80 0.63 -0.61 -4.36 -0.04 -2.08 121.20 115.99 2k8d s ILE 64 Ca 0.00 -2.23 -0.15 0.00 -0.26 0.00 0.00 60.65 58.01 2k8d s ILE 64 Cb 0.00 -2.09 -0.02 0.00 1.25 0.00 0.00 42.46 41.60 2k8d s ILE 64 CO 0.00 -0.56 1.07 -0.31 0.24 0.00 0.00 174.94 175.38 2k8d s TYR 65 N -2.93 2.89 -0.22 1.37 1.51 0.22 -0.71 117.35 119.49 2k8d s TYR 65 Ca 0.24 1.51 -0.01 0.00 -1.01 0.00 0.00 57.07 57.80 2k8d s TYR 65 Cb -0.01 -3.04 0.06 0.00 -0.11 0.00 0.00 41.96 38.86 2k8d s TYR 65 CO 0.08 -1.30 -0.01 0.50 -1.11 0.00 0.00 175.55 173.70 2k8d s ARG 66 N -4.21 1.16 -1.19 -0.62 6.06 0.49 -0.79 118.95 119.85 2k8d s ARG 66 Ca 0.64 -0.72 -0.18 0.00 -2.50 0.00 0.00 55.73 52.96 2k8d s ARG 66 Cb -0.17 -2.37 -0.03 0.00 0.06 0.00 0.00 34.95 32.45 2k8d s ARG 66 CO 0.41 -0.62 1.99 0.00 -2.50 0.00 0.00 175.30 174.58 2k8d h ILE 68 N 4.83 0.00 0.00 0.00 2.10 -1.73 0.12 117.51 122.83 2k8d h ILE 68 Ca 0.45 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.39 2k8d h ILE 68 Cb 0.75 0.63 0.00 0.00 -1.09 0.00 0.00 36.82 37.11 2k8d h ILE 68 CO 1.71 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 178.78 2k8d n GLY 71 N 0.00 0.87 3.64 0.00 0.00 0.27 -4.99 105.19 104.99 2k8d n GLY 71 Ca 0.00 -0.03 -0.30 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 -2.00 2.29 0.11 2.61 2.01 -1.20 -4.87 115.64 114.59 2k8d s THR 72 Ca 0.00 0.09 0.06 0.00 0.31 0.00 0.00 61.69 62.15 2k8d s THR 72 Cb 0.00 -2.25 -0.04 0.00 0.01 0.00 0.00 72.50 70.22 2k8d s THR 72 CO 0.00 -0.12 -0.15 -1.81 -0.69 0.00 0.00 174.62 171.85 2k8d s ASP 73 N -2.83 2.00 0.00 3.53 1.01 -1.26 -0.02 116.67 119.10 2k8d s ASP 73 Ca 0.66 -0.77 0.00 0.00 0.71 0.00 0.00 52.55 53.15 2k8d s ASP 73 Cb -0.22 -0.07 0.00 0.00 1.01 0.00 0.00 42.92 43.64 2k8d s ASP 73 CO 0.59 -0.12 0.00 0.00 0.21 0.00 0.00 175.17 175.85 2k8d n LEU 74 N 0.67 0.00 -0.50 1.23 -0.00 0.03 -4.69 117.00 113.75 2k8d n LEU 74 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.84 2k8d n LEU 74 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 2k8d n LEU 74 CO 0.26 0.00 -0.01 0.49 -0.00 0.00 0.00 177.39 178.13 2k8d n PHE 75 N 0.00 0.00 -1.72 1.47 3.72 -1.26 -0.61 117.46 119.06 2k8d n PHE 75 Ca 0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 2k8d n PHE 75 Cb 0.00 -0.03 -0.01 0.00 -0.94 0.00 0.00 39.48 38.50 2k8d n PHE 75 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2k8d n ASP 76 N 1.43 3.33 0.33 4.37 9.92 -1.26 -1.47 116.55 133.19 2k8d n ASP 76 Ca 0.00 1.18 0.21 0.00 -0.53 0.00 0.00 54.79 55.64 2k8d n ASP 76 Cb 0.01 -1.54 1.13 0.00 -0.64 0.00 0.00 41.12 40.08 2k8d n ASP 76 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2k8d h SER 77 N 3.72 0.00 0.18 -2.24 0.02 -1.68 0.50 113.55 114.05 2k8d h SER 77 Ca -0.47 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2k8d h SER 77 Cb 1.25 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.79 2k8d h SER 77 CO 0.71 0.00 -0.01 1.05 -1.14 0.00 0.00 176.83 177.44 2k8d h GLU 78 N 0.00 0.00 0.00 3.45 4.11 -1.85 0.50 114.58 120.79 2k8d h GLU 78 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2k8d h GLU 78 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2k8d h GLU 78 CO -0.00 0.01 0.00 0.25 0.07 0.00 0.00 179.01 179.34 2k8d n THR 79 N -3.21 0.56 -3.59 -1.06 -2.24 0.17 -4.62 114.28 100.30 2k8d n THR 79 Ca -0.02 0.02 -0.28 0.00 -2.27 0.00 0.00 64.05 61.49 2k8d n THR 79 Cb 0.12 -0.77 -0.12 0.00 -2.10 0.00 0.00 70.33 67.46 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 -3.10 1.18 -0.30 -0.78 2.36 0.17 -3.13 119.74 116.14 2k8d s LYS 80 Ca 0.09 -2.10 0.19 0.00 -2.55 0.00 0.00 55.97 51.61 2k8d s LYS 80 Cb 0.13 -1.99 0.47 0.00 -1.05 0.00 0.00 37.83 35.39 2k8d s LYS 80 CO 0.46 -1.26 1.08 0.34 1.55 0.00 0.00 175.35 177.53 2k8d n PHE 81 N 3.19 0.71 -1.59 4.03 7.35 -1.26 -4.93 117.46 124.96 2k8d n PHE 81 Ca 0.18 -2.39 -0.32 0.00 -0.76 0.00 0.00 57.45 54.16 2k8d n PHE 81 Cb 0.39 -0.04 -0.04 0.00 0.35 0.00 0.00 39.48 40.14 2k8d n PHE 81 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2k8d s ASP 82 N -3.12 4.38 -0.36 -2.13 -1.08 -1.26 -4.84 116.67 108.26 2k8d s ASP 82 Ca 0.25 0.83 -0.29 0.00 -0.52 0.00 0.00 52.55 52.82 2k8d s ASP 82 Cb 0.40 -2.51 0.01 0.00 -1.46 0.00 0.00 42.92 39.35 2k8d s ASP 82 CO -0.01 -3.05 1.30 -0.44 0.52 0.00 0.00 175.17 173.49 2k8d s SER 83 N 11.71 6.58 0.00 -0.34 0.01 -1.26 0.10 113.70 130.50 2k8d s SER 83 Ca 0.95 1.00 0.00 0.00 1.31 0.00 0.00 55.95 59.20 2k8d s SER 83 Cb -0.16 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.53 2k8d s SER 83 CO 0.22 -1.20 0.00 0.61 0.41 0.00 0.00 173.24 173.28 2k8d n GLY 84 N 4.58 2.67 0.22 3.44 0.00 -1.26 -4.78 105.19 110.06 2k8d n GLY 84 Ca 0.15 -0.66 -0.15 0.00 0.00 0.00 0.00 46.02 45.36 2k8d n GLY 84 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2k8d h THR 85 N 0.00 0.64 -5.66 2.61 2.02 -1.96 -3.46 112.91 107.10 2k8d h THR 85 Ca 0.00 -0.11 -0.30 0.00 0.77 0.00 0.00 66.41 66.77 2k8d h THR 85 Cb 0.00 0.70 -0.18 0.00 -1.74 0.00 0.00 68.15 66.93 2k8d h THR 85 CO 0.00 0.02 -0.43 0.61 0.37 0.00 0.00 175.52 176.09 2k8d n GLY 86 N -1.13 -0.39 3.62 2.16 0.00 0.11 -4.96 105.19 104.60 2k8d n GLY 86 Ca -0.11 0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 2k8d n GLY 86 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2k8d n TRP 87 N -2.94 0.46 -1.95 1.61 4.27 -1.26 -4.85 117.44 112.77 2k8d n TRP 87 Ca 0.06 0.37 -0.31 0.00 -3.89 0.00 0.00 57.50 53.72 2k8d n TRP 87 Cb 0.41 -1.99 -0.06 0.00 -1.36 0.00 0.00 31.31 28.31 2k8d n TRP 87 CO 0.00 0.00 0.00 -0.35 -2.29 0.00 0.00 177.69 175.05 2k8d n PRO 88 N -3.17 1.66 -4.06 -2.67 -0.04 -1.26 -4.84 135.00 120.62 2k8d n PRO 88 Ca 0.11 -2.41 -0.08 0.00 -0.04 0.00 0.00 63.50 61.08 2k8d n PRO 88 Cb 0.52 -3.60 -0.10 0.00 -0.04 0.00 0.00 33.50 30.28 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 6.13 0.43 0.24 3.54 1.04 -1.26 -2.72 113.70 121.10 2k8d s SER 89 Ca 0.66 -0.87 0.01 0.00 0.48 0.00 0.00 55.95 56.23 2k8d s SER 89 Cb 0.02 0.17 -0.05 0.00 0.10 0.00 0.00 66.02 66.26 2k8d s SER 89 CO 0.13 -0.52 0.10 -0.36 0.98 0.00 0.00 173.24 173.58 2k8d s PHE 90 N -3.25 1.41 0.00 5.02 0.40 0.47 -4.65 117.98 117.37 2k8d s PHE 90 Ca 0.01 -1.24 0.00 0.00 -0.60 0.00 0.00 56.93 55.10 2k8d s PHE 90 Cb 0.03 -0.78 0.00 0.00 0.51 0.00 0.00 43.02 42.78 2k8d s PHE 90 CO -0.08 -0.43 0.14 2.48 0.70 0.00 0.00 175.22 178.04 2k8d n TYR 91 N -0.39 0.00 -3.96 0.36 0.18 -1.18 -0.39 117.16 111.77 2k8d n TYR 91 Ca 0.00 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.66 2k8d n TYR 91 Cb 0.66 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.61 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 -0.59 -1.62 -4.56 9.48 -0.08 -1.26 -4.63 116.55 113.29 2k8d n ASP 92 Ca 0.00 -2.76 -0.26 0.00 -1.51 0.00 0.00 54.79 50.27 2k8d n ASP 92 Cb 0.01 2.88 -0.10 0.00 2.34 0.00 0.00 41.12 46.25 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 -2.59 2.32 0.07 5.18 -7.23 -1.26 -4.88 120.40 112.01 2k8d s VAL 93 Ca 0.24 -2.16 -0.23 0.00 -1.81 0.00 0.00 61.98 58.02 2k8d s VAL 93 Cb -0.02 -2.67 -0.15 0.00 0.56 0.00 0.00 36.38 34.09 2k8d s VAL 93 CO 0.18 -0.20 1.66 1.62 -0.31 0.00 0.00 175.10 178.04 2k8d h VAL 94 N 1.98 1.08 0.00 1.32 3.04 -1.92 -3.47 116.25 118.28 2k8d h VAL 94 Ca -0.42 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.05 2k8d h VAL 94 Cb 1.25 1.20 0.00 0.00 -2.01 0.00 0.00 31.29 31.73 2k8d h VAL 94 CO 0.70 0.06 0.00 -1.20 -1.01 0.00 0.00 177.57 176.12 2k8d n SER 95 N -5.03 0.00 -4.58 3.17 7.64 -1.26 -4.99 113.62 108.57 2k8d n SER 95 Ca -0.07 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.53 2k8d n SER 95 Cb 0.07 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.21 2k8d n SER 95 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2k8d s GLU 96 N -2.00 2.54 0.17 1.43 8.01 -1.26 -4.51 118.70 123.09 2k8d s GLU 96 Ca 0.00 -1.03 0.00 0.00 0.01 0.00 0.00 54.97 53.95 2k8d s GLU 96 Cb 0.00 -5.22 0.00 0.00 -4.31 0.00 0.00 34.13 24.60 2k8d s GLU 96 CO 0.00 -3.84 0.00 -2.39 0.01 0.00 0.00 175.26 169.04 2k8d n HIS 97 N 14.18 -1.03 -1.34 1.61 1.44 -1.26 -4.88 115.22 123.93 2k8d n HIS 97 Ca 0.44 0.18 0.02 0.00 -2.01 0.00 0.00 57.72 56.36 2k8d n HIS 97 Cb 0.47 0.24 0.20 0.00 0.12 0.00 0.00 29.99 31.02 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 -3.46 2.54 -4.21 4.39 4.05 -1.25 -4.39 115.26 112.93 2k8d n ASN 98 Ca 0.00 -3.57 -0.14 0.00 0.45 0.00 0.00 54.58 51.33 2k8d n ASN 98 Cb 0.00 -0.56 -0.10 0.00 1.23 0.00 0.00 39.78 40.34 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 -3.12 1.01 -0.08 -1.44 2.07 -1.26 -0.75 121.20 117.64 2k8d s ILE 99 Ca 0.41 -1.88 -0.01 0.00 -1.41 0.00 0.00 60.65 57.76 2k8d s ILE 99 Cb 0.37 -1.63 0.03 0.00 0.13 0.00 0.00 42.46 41.35 2k8d s ILE 99 CO 0.00 -0.69 -0.00 -0.75 -1.91 0.00 0.00 174.94 171.59 2k8d s LYS 100 N -3.38 0.66 -0.01 3.50 2.36 0.62 -4.47 119.74 119.01 2k8d s LYS 100 Ca 0.12 0.07 0.01 0.00 -2.55 0.00 0.00 55.97 53.61 2k8d s LYS 100 Cb 0.01 -1.06 0.00 0.00 -1.05 0.00 0.00 37.83 35.73 2k8d s LYS 100 CO -0.00 -0.32 -0.04 -0.51 1.55 0.00 0.00 175.35 176.03 2k8d s LEU 101 N 1.95 1.81 -0.15 5.43 1.02 -1.26 -0.68 118.68 126.80 2k8d s LEU 101 Ca 0.05 -0.08 0.00 0.00 0.02 0.00 0.00 54.13 54.12 2k8d s LEU 101 Cb -0.12 -0.26 0.02 0.00 0.02 0.00 0.00 46.19 45.85 2k8d s LEU 101 CO -0.06 0.02 -0.13 -0.13 0.02 0.00 0.00 176.35 176.08 2k8d s ARG 102 N 0.17 2.12 0.34 1.70 3.00 -1.24 -4.97 118.95 120.08 2k8d s ARG 102 Ca -0.02 -0.52 -0.26 0.00 0.00 0.00 0.00 55.73 54.93 2k8d s ARG 102 Cb -0.05 -2.04 -0.09 0.00 0.00 0.00 0.00 34.95 32.77 2k8d s ARG 102 CO -0.00 -0.26 1.04 -2.00 0.00 0.00 0.00 175.30 174.07 2k8d s GLU 103 N 1.52 4.41 0.29 3.54 -6.30 -1.26 -0.98 118.70 119.92 2k8d s GLU 103 Ca 0.04 1.56 0.01 0.00 -2.50 0.00 0.00 54.97 54.08 2k8d s GLU 103 Cb -0.13 -2.81 -0.00 0.00 0.00 0.00 0.00 34.13 31.19 2k8d s GLU 103 CO -0.10 0.07 0.36 -3.47 0.02 0.00 0.00 175.26 172.14 2k8d n ASP 104 N 0.47 -0.99 -0.49 -1.70 -0.08 -0.20 -4.93 116.55 108.64 2k8d n ASP 104 Ca 0.02 -2.69 0.05 0.00 -1.51 0.00 0.00 54.79 50.66 2k8d n ASP 104 Cb 0.48 1.93 0.13 0.00 2.34 0.00 0.00 41.12 46.00 2k8d n ASP 104 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2k8d n ARG 105 N -0.51 2.84 0.00 -0.67 3.00 -1.26 -0.47 116.66 119.59 2k8d n ARG 105 Ca 0.02 -2.04 0.00 0.00 -0.01 0.00 0.00 57.85 55.82 2k8d n ARG 105 Cb 0.50 -1.29 0.00 0.00 0.00 0.00 0.00 32.46 31.68 2k8d n ARG 105 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2k8d n SER 106 N 0.05 0.00 -0.00 0.55 2.88 -1.26 -0.15 113.62 115.68 2k8d n SER 106 Ca 0.10 0.15 0.09 0.00 -1.33 0.00 0.00 58.87 57.89 2k8d n SER 106 Cb 0.45 -0.15 -0.11 0.00 -0.75 0.00 0.00 64.21 63.65 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 -1.08 0.88 0.00 2.46 -0.00 -1.26 -4.96 117.00 113.03 2k8d n LEU 107 Ca 0.00 -0.48 0.00 0.00 -0.00 0.00 0.00 56.01 55.53 2k8d n LEU 107 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.47 2k8d n LEU 107 CO 0.00 0.22 0.00 0.61 -0.00 0.00 0.00 177.39 178.22 2k8d n GLY 108 N 1.45 1.08 0.00 1.47 0.00 0.78 -5.01 105.19 104.97 2k8d n GLY 108 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.46 0.00 -3.61 1.61 0.00 -0.85 -5.11 117.12 107.71 2k8d n MET 109 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 57.70 57.51 2k8d n MET 109 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 33.22 33.07 2k8d n MET 109 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 2k8d s VAL 110 N 0.00 -0.26 -0.18 1.12 1.01 -1.26 -4.41 120.40 116.42 2k8d s VAL 110 Ca 0.00 0.14 -0.00 0.00 0.00 0.00 0.00 61.98 62.11 2k8d s VAL 110 Cb 0.00 -0.45 0.05 0.00 0.00 0.00 0.00 36.38 35.97 2k8d s VAL 110 CO 0.00 -0.02 -0.05 -0.60 0.00 0.00 0.00 175.10 174.43 2k8d s ARG 111 N 2.28 1.44 -0.05 2.72 3.52 0.38 -2.28 118.95 126.96 2k8d s ARG 111 Ca 0.04 -0.60 0.06 0.00 -0.13 0.00 0.00 55.73 55.10 2k8d s ARG 111 Cb -0.14 -2.13 -0.01 0.00 -1.56 0.00 0.00 34.95 31.12 2k8d s ARG 111 CO -0.08 -0.47 -0.23 0.00 -0.81 0.00 0.00 175.30 173.71 2k8d s GLU 113 N -0.18 1.70 -0.16 0.00 -1.05 -0.16 0.03 118.70 118.87 2k8d s GLU 113 Ca -0.01 1.36 -0.04 0.00 -0.15 0.00 0.00 54.97 56.12 2k8d s GLU 113 Cb -0.12 -1.82 0.07 0.00 -0.44 0.00 0.00 34.13 31.82 2k8d s GLU 113 CO 0.02 -2.09 0.14 0.08 0.95 0.00 0.00 175.26 174.36 2k8d s VAL 114 N -2.76 -0.19 0.30 1.83 1.01 -0.20 -3.70 120.40 116.68 2k8d s VAL 114 Ca 0.64 -0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.63 2k8d s VAL 114 Cb -0.20 -0.55 -0.06 0.00 0.00 0.00 0.00 36.38 35.57 2k8d s VAL 114 CO 0.56 -0.18 -0.04 -0.76 0.00 0.00 0.00 175.10 174.68 2k8d s LEU 115 N 2.22 2.50 0.84 3.92 1.02 0.14 -1.99 118.68 127.33 2k8d s LEU 115 Ca 0.04 -1.22 -0.11 0.00 0.02 0.00 0.00 54.13 52.86 2k8d s LEU 115 Cb -0.15 -0.67 0.10 0.00 0.02 0.00 0.00 46.19 45.49 2k8d s LEU 115 CO -0.09 -0.36 1.09 0.00 0.02 0.00 0.00 176.35 177.00 2k8d n ALA 117 N -3.72 2.76 0.04 0.00 0.00 0.07 -4.23 120.51 115.43 2k8d n ALA 117 Ca 0.08 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.19 2k8d n ALA 117 Cb 0.54 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 -0.60 0.00 -1.81 0.00 3.00 -1.26 -4.93 116.66 111.05 2k8d n ARG 118 Ca 0.16 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.60 2k8d n ARG 118 Cb 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.74 2k8d n ARG 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2k8d n ASP 120 N 4.17 2.86 -3.55 0.00 9.92 -1.26 -4.41 116.55 124.28 2k8d n ASP 120 Ca 0.58 -2.05 -0.25 0.00 -0.53 0.00 0.00 54.79 52.53 2k8d n ASP 120 Cb 0.32 -0.75 0.19 0.00 -0.64 0.00 0.00 41.12 40.24 2k8d n ASP 120 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k8d n ALA 121 N 3.42 -1.88 -0.38 2.24 0.00 -1.26 -4.92 120.51 117.72 2k8d n ALA 121 Ca 0.25 -1.45 -0.10 0.00 0.00 0.00 0.00 53.44 52.13 2k8d n ALA 121 Cb 0.28 -0.08 -0.09 0.00 0.00 0.00 0.00 19.45 19.56 2k8d n ALA 121 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2k8d n HIS 122 N -3.91 -0.40 0.00 0.00 -0.00 -1.26 -4.66 115.22 104.99 2k8d n HIS 122 Ca 0.14 1.13 0.00 0.00 -0.00 0.00 0.00 57.72 58.99 2k8d n HIS 122 Cb 0.50 -0.57 0.00 0.00 -0.00 0.00 0.00 29.99 29.92 2k8d n HIS 122 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2k8d n LEU 123 N -5.06 0.00 0.00 0.27 7.99 -0.85 -4.89 117.00 114.47 2k8d n LEU 123 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.02 2k8d n LEU 123 Cb 0.23 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.54 2k8d n LEU 123 CO -0.14 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.35 2k8d n GLY 124 N 0.00 -0.84 3.84 -0.72 0.00 -0.84 -0.36 105.19 106.26 2k8d n GLY 124 Ca 0.00 0.66 -0.06 0.00 0.00 0.00 0.00 46.02 46.62 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 -0.02 1.61 -3.43 -0.07 -1.04 115.29 112.39 2k8d s HIS 125 Ca 0.00 -0.54 0.05 0.00 -0.80 0.00 0.00 55.06 53.77 2k8d s HIS 125 Cb 0.00 0.75 -0.01 0.00 -1.43 0.00 0.00 32.58 31.89 2k8d s HIS 125 CO 0.00 -1.18 -0.16 0.54 -2.00 0.00 0.00 174.74 171.94 2k8d s VAL 126 N -2.50 1.27 0.09 -5.38 0.11 0.10 -0.04 120.40 114.05 2k8d s VAL 126 Ca 0.17 -0.67 0.00 0.00 -2.93 0.00 0.00 61.98 58.55 2k8d s VAL 126 Cb -0.04 -1.07 -0.04 0.00 -1.53 0.00 0.00 36.38 33.70 2k8d s VAL 126 CO 0.07 0.36 -0.03 0.72 -3.33 0.00 0.00 175.10 172.90 2k8d s PHE 127 N -0.24 0.74 -0.24 1.54 -0.71 -0.06 -0.45 117.98 118.55 2k8d s PHE 127 Ca 0.03 -1.04 -0.29 0.00 -1.04 0.00 0.00 56.93 54.59 2k8d s PHE 127 Cb -0.08 -0.47 -0.03 0.00 -1.21 0.00 0.00 43.02 41.24 2k8d s PHE 127 CO 0.00 -0.31 1.80 0.34 -1.34 0.00 0.00 175.22 175.71 2k8d s ASP 128 N -3.00 6.06 0.00 1.98 2.15 -0.97 0.00 116.67 122.90 2k8d s ASP 128 Ca 0.12 1.61 0.00 0.00 0.43 0.00 0.00 52.55 54.71 2k8d s ASP 128 Cb 0.07 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 2k8d s ASP 128 CO -0.06 -1.52 0.00 -0.67 -0.17 0.00 0.00 175.17 172.75 2k8d n ASP 129 N 9.57 0.00 -4.83 -0.34 2.03 -0.45 -4.89 116.55 117.65 2k8d n ASP 129 Ca 0.22 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 55.21 2k8d n ASP 129 Cb 0.45 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.83 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 -0.82 2.11 0.19 0.27 0.00 0.21 -4.90 107.32 104.39 2k8d s GLY 130 Ca 0.00 0.27 0.03 0.00 0.00 0.00 0.00 44.72 45.02 2k8d s GLY 130 CO 0.00 0.56 1.46 -0.56 0.00 0.00 0.00 173.10 174.56 2k8d h PRO 131 N 0.85 0.22 0.00 2.90 0.13 -1.94 -3.39 132.00 130.77 2k8d h PRO 131 Ca -0.47 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 2k8d h PRO 131 Cb 1.20 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2k8d h PRO 131 CO 0.60 0.88 0.00 2.89 -0.23 0.00 0.00 178.00 182.14 2k8d n ARG 132 N -3.76 0.00 -0.06 0.86 0.00 -1.26 -4.80 116.66 107.64 2k8d n ARG 132 Ca -0.03 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.69 2k8d n ARG 132 Cb 0.72 0.00 -0.06 0.00 -0.00 0.00 0.00 32.46 33.12 2k8d n ARG 132 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 2k8d h PRO 133 N 0.00 0.46 0.00 2.89 0.13 -1.95 -3.41 132.00 130.13 2k8d h PRO 133 Ca 0.00 -0.26 -0.03 0.00 -0.87 0.00 0.00 66.00 64.84 2k8d h PRO 133 Cb 0.00 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.14 2k8d h PRO 133 CO 0.00 0.84 -0.15 1.79 -0.23 0.00 0.00 178.00 180.25 2k8d h THR 134 N 0.12 0.33 0.00 1.56 1.35 -1.94 -3.47 112.91 110.85 2k8d h THR 134 Ca 0.03 -1.04 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 2k8d h THR 134 Cb 0.76 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 2k8d h THR 134 CO 0.05 0.15 0.00 0.61 -0.25 0.00 0.00 175.52 176.08 2k8d n GLY 135 N 0.41 1.04 3.37 5.82 0.00 -1.26 -4.97 105.19 109.60 2k8d n GLY 135 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 2k8d n GLY 135 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k8d s LYS 136 N -0.19 1.41 -0.24 1.61 -2.85 -1.26 -0.62 119.74 117.59 2k8d s LYS 136 Ca 0.00 -1.58 0.01 0.00 -1.00 0.00 0.00 55.97 53.40 2k8d s LYS 136 Cb 0.00 -1.37 0.06 0.00 -2.06 0.00 0.00 37.83 34.47 2k8d s LYS 136 CO 0.00 0.25 -0.04 0.50 0.10 0.00 0.00 175.35 176.17 2k8d s ARG 137 N -3.32 1.53 -0.21 1.78 6.06 0.10 -4.26 118.95 120.63 2k8d s ARG 137 Ca 0.22 -1.03 -0.28 0.00 -2.50 0.00 0.00 55.73 52.14 2k8d s ARG 137 Cb -0.04 -2.58 0.00 0.00 0.06 0.00 0.00 34.95 32.40 2k8d s ARG 137 CO 0.09 -0.64 1.00 0.71 -2.50 0.00 0.00 175.30 173.96 2k8d s TYR 138 N 1.39 3.36 -0.08 5.12 1.51 0.47 -0.88 117.35 128.24 2k8d s TYR 138 Ca -0.04 1.44 -0.00 0.00 -1.01 0.00 0.00 57.07 57.46 2k8d s TYR 138 Cb -0.19 -3.22 0.02 0.00 -0.11 0.00 0.00 41.96 38.46 2k8d s TYR 138 CO -0.07 -0.43 -0.04 0.00 -1.11 0.00 0.00 175.55 173.90 2k8d s MET 140 N 1.60 0.78 -0.13 0.00 0.23 -1.10 -0.89 119.30 119.79 2k8d s MET 140 Ca 0.01 -1.23 -0.08 0.00 -1.03 0.00 0.00 55.69 53.36 2k8d s MET 140 Cb -0.13 0.26 0.05 0.00 -1.53 0.00 0.00 34.83 33.47 2k8d s MET 140 CO -0.04 -0.21 0.33 -0.80 -2.03 0.00 0.00 175.02 172.27 2k8d s ASN 141 N -2.95 -0.37 0.03 -1.18 0.02 0.51 -4.66 114.94 106.34 2k8d s ASN 141 Ca 0.12 0.69 -0.27 0.00 -1.02 0.00 0.00 52.86 52.38 2k8d s ASN 141 Cb 0.07 0.61 0.10 0.00 0.02 0.00 0.00 41.25 42.04 2k8d s ASN 141 CO -0.06 -0.16 1.22 -0.94 0.02 0.00 0.00 177.10 177.18 2k8d s SER 142 N 1.02 -0.02 0.26 -1.22 1.04 -1.26 -2.00 113.70 111.52 2k8d s SER 142 Ca -0.07 -0.30 0.20 0.00 0.48 0.00 0.00 55.95 56.26 2k8d s SER 142 Cb -0.07 0.24 0.98 0.00 0.10 0.00 0.00 66.02 67.26 2k8d s SER 142 CO -0.08 -0.47 1.61 0.00 0.98 0.00 0.00 173.24 175.28 2k8d n ALA 143 N -0.74 1.28 1.58 5.32 0.00 -1.15 -3.86 120.51 122.94 2k8d n ALA 143 Ca -0.01 0.13 0.04 0.00 0.00 0.00 0.00 53.44 53.60 2k8d n ALA 143 Cb 0.60 -1.31 0.25 0.00 0.00 0.00 0.00 19.45 18.99 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 -1.74 2.34 -3.61 0.00 0.00 -1.26 -4.65 120.51 111.59 2k8d n ALA 144 Ca 0.00 -0.05 -0.38 0.00 0.00 0.00 0.00 53.44 53.01 2k8d n ALA 144 Cb 0.11 -1.14 -0.07 0.00 0.00 0.00 0.00 19.45 18.35 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 -1.33 5.64 0.37 0.00 1.43 -1.25 -2.78 118.68 120.76 2k8d s LEU 145 Ca 0.13 -3.26 0.08 0.00 -1.03 0.00 0.00 54.13 50.05 2k8d s LEU 145 Cb 0.06 -1.94 -0.05 0.00 0.03 0.00 0.00 46.19 44.29 2k8d s LEU 145 CO 0.10 -0.31 0.15 -0.75 0.23 0.00 0.00 176.35 175.77 2k8d s LYS 146 N -0.67 2.29 0.26 1.70 2.20 -0.78 -5.01 119.74 119.72 2k8d s LYS 146 Ca 0.22 -1.68 0.09 0.00 -0.36 0.00 0.00 55.97 54.25 2k8d s LYS 146 Cb -0.13 -2.08 -0.04 0.00 -1.51 0.00 0.00 37.83 34.07 2k8d s LYS 146 CO -0.08 0.01 -0.01 -0.06 -0.36 0.00 0.00 175.35 174.85 2k8d s PHE 147 N -2.50 2.71 0.20 4.03 0.40 -1.26 -0.38 117.98 121.17 2k8d s PHE 147 Ca 0.39 -0.22 -0.02 0.00 -0.60 0.00 0.00 56.93 56.48 2k8d s PHE 147 Cb 0.00 -1.21 -0.04 0.00 0.51 0.00 0.00 43.02 42.28 2k8d s PHE 147 CO 0.22 0.61 0.16 0.96 0.70 0.00 0.00 175.22 177.87 2k8d s ILE 148 N -2.26 0.01 1.28 0.64 -4.36 0.12 -4.72 121.20 111.91 2k8d s ILE 148 Ca 0.31 -1.93 -0.18 0.00 -0.26 0.00 0.00 60.65 58.59 2k8d s ILE 148 Cb -0.07 -2.42 0.30 0.00 1.25 0.00 0.00 42.46 41.53 2k8d s ILE 148 CO 0.20 -0.05 0.79 -0.81 0.24 0.00 0.00 174.94 175.31 2k8d n PRO 149 N -0.26 -3.33 -0.06 0.37 -0.04 -1.26 -0.86 135.00 129.56 2k8d n PRO 149 Ca 0.01 -0.97 0.25 0.00 -0.04 0.00 0.00 63.50 62.75 2k8d n PRO 149 Cb 0.65 -1.97 0.61 0.00 -0.04 0.00 0.00 33.50 32.76 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 -3.01 0.00 0.00 0.54 -0.00 -1.91 -3.30 114.38 106.69 2k8d h ARG 150 Ca -0.52 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 58.96 2k8d h ARG 150 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.27 2k8d h ARG 150 CO 0.37 0.00 0.00 -3.47 0.00 0.00 0.00 179.97 176.87 2k8d n ASP 151 N -3.50 -0.75 -0.49 7.04 -0.08 -1.26 -4.51 116.55 113.01 2k8d n ASP 151 Ca 0.15 0.58 0.00 0.00 -1.51 0.00 0.00 54.79 54.01 2k8d n ASP 151 Cb 1.05 1.11 0.00 0.00 2.34 0.00 0.00 41.12 45.62 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 -3.08 0.00 0.11 -0.67 1.13 -1.26 -4.88 117.38 108.73 2k8d n GLN 152 Ca 0.00 -0.41 0.12 0.00 -1.94 0.00 0.00 57.00 54.77 2k8d n GLN 152 Cb 0.00 -0.21 0.46 0.00 0.11 0.00 0.00 30.24 30.61 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 0.80 -1.60 5.09 -6.64 -1.26 -5.15 119.36 110.60 2k8d n ILE 153 Ca 0.00 0.17 0.00 0.00 -1.77 0.00 0.00 62.75 61.15 2k8d n ILE 153 Cb 0.58 -1.07 0.00 0.00 -1.44 0.00 0.00 39.64 37.71 2k8d n ILE 153 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39