#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 -2.49 2.12 5.02 -1.26 -5.02 118.16 117.99 2k8d n LYS 5 Ca 0.00 -1.59 -0.42 0.00 -2.02 0.00 0.00 58.31 54.28 2k8d n LYS 5 Cb 0.00 -0.99 -0.03 0.00 -0.02 0.00 0.00 35.03 33.99 2k8d n LYS 5 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 2k8d s ASP 6 N -1.43 7.16 0.96 4.39 -4.77 -1.26 -4.94 116.67 116.78 2k8d s ASP 6 Ca 0.10 1.97 -0.20 0.00 -3.30 0.00 0.00 52.55 51.12 2k8d s ASP 6 Cb 0.09 -2.58 -0.16 0.00 -1.09 0.00 0.00 42.92 39.18 2k8d s ASP 6 CO 0.01 -0.39 -1.06 0.54 0.70 0.00 0.00 175.17 174.97 2k8d n ARG 7 N 3.65 0.00 -4.61 2.11 1.74 -1.26 -4.76 116.66 113.53 2k8d n ARG 7 Ca 0.07 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.93 2k8d n ARG 7 Cb 0.47 -0.96 -0.16 0.00 -1.02 0.00 0.00 32.46 30.80 2k8d n ARG 7 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 2k8d s ILE 8 N -1.91 1.09 -0.21 0.55 -4.36 0.69 -4.87 121.20 112.17 2k8d s ILE 8 Ca 0.37 -0.55 -0.28 0.00 -0.26 0.00 0.00 60.65 59.93 2k8d s ILE 8 Cb -0.06 -0.93 0.00 0.00 1.25 0.00 0.00 42.46 42.72 2k8d s ILE 8 CO 0.73 0.32 0.99 -2.16 0.24 0.00 0.00 174.94 175.06 2k8d s PRO 9 N -0.02 4.27 0.19 0.37 0.04 -1.26 -0.94 135.00 137.65 2k8d s PRO 9 Ca -0.01 1.28 -0.13 0.00 0.04 0.00 0.00 61.00 62.18 2k8d s PRO 9 Cb -0.08 -3.62 -0.07 0.00 0.04 0.00 0.00 34.50 30.76 2k8d s PRO 9 CO 0.01 -0.55 0.57 0.42 0.04 0.00 0.00 177.00 177.49 2k8d s ILE 10 N 2.93 4.85 0.14 0.56 1.09 0.09 -3.42 121.20 127.44 2k8d s ILE 10 Ca 0.43 0.75 0.07 0.00 -1.10 0.00 0.00 60.65 60.80 2k8d s ILE 10 Cb -0.16 -3.69 -0.04 0.00 -1.06 0.00 0.00 42.46 37.51 2k8d s ILE 10 CO 0.08 0.10 -0.17 -0.36 -0.10 0.00 0.00 174.94 174.50 2k8d s PHE 11 N -1.63 1.64 -0.34 3.97 0.40 -1.26 -0.33 117.98 120.44 2k8d s PHE 11 Ca 0.43 -0.51 -0.01 0.00 -0.60 0.00 0.00 56.93 56.24 2k8d s PHE 11 Cb -0.13 -0.84 0.13 0.00 0.51 0.00 0.00 43.02 42.69 2k8d s PHE 11 CO 0.20 0.25 0.20 -1.12 0.70 0.00 0.00 175.22 175.44 2k8d s SER 12 N -2.55 3.10 0.13 1.36 0.01 -0.26 -4.79 113.70 110.70 2k8d s SER 12 Ca 0.13 -2.03 -0.15 0.00 1.31 0.00 0.00 55.95 55.21 2k8d s SER 12 Cb -0.05 -0.41 -0.00 0.00 0.21 0.00 0.00 66.02 65.76 2k8d s SER 12 CO 0.05 -0.33 1.62 1.62 0.41 0.00 0.00 173.24 176.60 2k8d h VAL 13 N 5.30 1.24 0.00 3.43 3.04 -1.89 0.27 116.25 127.64 2k8d h VAL 13 Ca 0.01 -0.87 -0.15 0.00 -1.01 0.00 0.00 66.70 64.68 2k8d h VAL 13 Cb 0.98 0.98 -0.02 0.00 -2.01 0.00 0.00 31.29 31.22 2k8d h VAL 13 CO 0.30 0.30 -0.71 0.00 -1.01 0.00 0.00 177.57 176.46 2k8d h ALA 14 N 0.94 0.72 -0.01 3.17 0.00 -1.95 -1.46 119.26 120.67 2k8d h ALA 14 Ca 0.13 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2k8d h ALA 14 Cb 0.37 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2k8d h ALA 14 CO 0.01 0.89 -0.05 1.17 0.00 0.00 0.00 179.25 181.26 2k8d n LYS 15 N -3.53 1.28 -3.85 0.00 4.81 -1.19 -4.99 118.16 110.70 2k8d n LYS 15 Ca -0.00 -0.61 -0.31 0.00 -0.87 0.00 0.00 58.31 56.51 2k8d n LYS 15 Cb 0.73 -1.49 0.01 0.00 0.02 0.00 0.00 35.03 34.30 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 -0.32 -4.08 -4.32 3.14 5.15 0.01 -5.02 115.26 109.83 2k8d n ASN 16 Ca 0.18 -1.02 -0.17 0.00 -0.60 0.00 0.00 54.58 52.97 2k8d n ASN 16 Cb 0.30 -1.44 -0.10 0.00 -0.53 0.00 0.00 39.78 38.01 2k8d n ASN 16 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2k8d s ARG 17 N -5.79 1.28 -0.01 1.20 1.81 0.74 -5.00 118.95 113.17 2k8d s ARG 17 Ca 0.19 -1.60 0.00 0.00 -1.72 0.00 0.00 55.73 52.60 2k8d s ARG 17 Cb -0.11 -0.81 0.02 0.00 -0.45 0.00 0.00 34.95 33.59 2k8d s ARG 17 CO 0.85 0.04 0.00 0.08 -0.68 0.00 0.00 175.30 175.59 2k8d s VAL 18 N -3.23 0.08 -0.31 3.52 1.01 -1.26 -1.10 120.40 119.11 2k8d s VAL 18 Ca 0.23 0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.25 2k8d s VAL 18 Cb 0.03 -0.14 0.12 0.00 0.00 0.00 0.00 36.38 36.38 2k8d s VAL 18 CO 0.06 0.08 0.18 -1.83 0.00 0.00 0.00 175.10 173.59 2k8d s GLU 19 N 0.56 0.30 0.09 2.72 1.03 0.56 -4.98 118.70 118.98 2k8d s GLU 19 Ca -0.05 -0.64 -0.30 0.00 0.03 0.00 0.00 54.97 54.01 2k8d s GLU 19 Cb -0.08 -1.08 -0.05 0.00 -0.80 0.00 0.00 34.13 32.12 2k8d s GLU 19 CO -0.01 -1.07 1.00 1.41 -1.33 0.00 0.00 175.26 175.26 2k8d s MET 20 N 1.91 4.63 0.10 -4.83 1.75 -1.26 -0.73 119.30 120.87 2k8d s MET 20 Ca 0.11 1.51 0.01 0.00 -1.25 0.00 0.00 55.69 56.06 2k8d s MET 20 Cb -0.17 -3.38 -0.04 0.00 2.84 0.00 0.00 34.83 34.08 2k8d s MET 20 CO -0.27 0.09 -0.03 0.08 -0.65 0.00 0.00 175.02 174.24 2k8d s VAL 21 N 0.30 0.51 1.20 10.11 1.01 -0.12 -4.93 120.40 128.47 2k8d s VAL 21 Ca 0.49 -1.91 -0.14 0.00 0.00 0.00 0.00 61.98 60.42 2k8d s VAL 21 Cb -0.24 -1.75 0.27 0.00 0.00 0.00 0.00 36.38 34.66 2k8d s VAL 21 CO 0.30 -0.80 0.79 -0.62 0.00 0.00 0.00 175.10 174.78 2k8d n GLU 22 N -0.04 -2.55 -1.07 2.72 -0.58 -1.26 -0.23 120.64 117.62 2k8d n GLU 22 Ca -0.11 -0.72 -0.30 0.00 -0.42 0.00 0.00 57.16 55.61 2k8d n GLU 22 Cb 0.62 -2.05 0.23 0.00 -0.57 0.00 0.00 31.44 29.67 2k8d n GLU 22 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2k8d s ARG 23 N -4.20 -1.01 -0.02 3.49 0.52 -1.26 -4.39 118.95 112.08 2k8d s ARG 23 Ca 0.66 0.04 -0.30 0.00 -0.52 0.00 0.00 55.73 55.61 2k8d s ARG 23 Cb -0.23 -1.61 -0.03 0.00 0.52 0.00 0.00 34.95 33.60 2k8d s ARG 23 CO 0.66 -3.59 1.05 -1.50 0.02 0.00 0.00 175.30 171.94 2k8d s ILE 24 N -2.98 4.63 -0.32 1.52 2.07 -1.26 -4.99 121.20 119.87 2k8d s ILE 24 Ca 0.70 1.90 0.06 0.00 -1.41 0.00 0.00 60.65 61.89 2k8d s ILE 24 Cb -0.11 -4.22 0.19 0.00 0.13 0.00 0.00 42.46 38.45 2k8d s ILE 24 CO 0.56 0.09 0.56 -0.70 -1.91 0.00 0.00 174.94 173.55 2k8d s GLU 25 N 1.42 0.60 0.30 3.50 2.12 -1.26 -5.05 118.70 120.34 2k8d s GLU 25 Ca 0.53 0.22 0.04 0.00 0.36 0.00 0.00 54.97 56.12 2k8d s GLU 25 Cb -0.22 0.08 -0.03 0.00 0.26 0.00 0.00 34.13 34.21 2k8d s GLU 25 CO 0.25 -1.09 0.21 -0.51 -0.54 0.00 0.00 175.26 173.58 2k8d s LEU 26 N 2.48 1.63 0.00 2.70 1.43 -1.26 -5.18 118.68 120.49 2k8d s LEU 26 Ca 0.12 -1.63 0.00 0.00 -1.03 0.00 0.00 54.13 51.58 2k8d s LEU 26 Cb -0.09 0.39 0.00 0.00 0.03 0.00 0.00 46.19 46.52 2k8d s LEU 26 CO -0.21 -0.97 0.00 -1.54 0.23 0.00 0.00 176.35 173.86 2k8d n SER 27 N -1.13 0.00 -0.03 2.29 3.41 -1.26 -5.02 113.62 111.88 2k8d n SER 27 Ca 0.04 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.52 2k8d n SER 27 Cb 0.64 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.50 2k8d n SER 27 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2k8d h ASP 28 N 0.00 0.13 0.10 4.04 3.58 -2.03 -3.40 116.42 118.85 2k8d h ASP 28 Ca 0.00 -0.50 0.00 0.00 0.42 0.00 0.00 57.03 56.95 2k8d h ASP 28 Cb 0.00 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.01 2k8d h ASP 28 CO 0.00 0.60 0.00 0.47 -2.88 0.00 0.00 179.24 177.43 2k8d n ASP 29 N -4.74 0.31 -0.06 2.28 9.92 -1.26 -2.09 116.55 120.91 2k8d n ASP 29 Ca -0.08 0.63 -0.19 0.00 -0.53 0.00 0.00 54.79 54.63 2k8d n ASP 29 Cb 0.30 -0.68 -0.13 0.00 -0.64 0.00 0.00 41.12 39.97 2k8d n ASP 29 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2k8d h GLU 30 N 0.00 0.07 0.00 -1.24 4.39 -1.97 -3.39 114.58 112.43 2k8d h GLU 30 Ca 0.00 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.58 2k8d h GLU 30 Cb 0.05 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2k8d h GLU 30 CO 0.00 1.06 0.00 0.91 -1.16 0.00 0.00 179.01 179.82 2k8d n TRP 31 N -4.37 0.00 0.00 4.33 7.02 -0.89 -0.93 117.44 122.61 2k8d n TRP 31 Ca -0.22 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.26 2k8d n TRP 31 Cb 0.67 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.56 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 -0.55 1.02 0.00 -0.99 1.85 -1.26 -4.04 116.66 112.69 2k8d n ARG 32 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2k8d n ARG 32 Cb 0.00 -0.09 0.00 0.00 -1.05 0.00 0.00 32.46 31.32 2k8d n ARG 32 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 2k8d n GLU 33 N -0.05 3.24 -0.26 2.89 0.28 -0.23 -4.76 120.64 121.75 2k8d n GLU 33 Ca 0.00 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 57.06 2k8d n GLU 33 Cb 0.00 -0.55 0.19 0.00 1.43 0.00 0.00 31.44 32.51 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 -0.60 1.43 -4.49 3.84 -5.35 -0.10 -5.04 119.36 109.05 2k8d n ILE 34 Ca 0.00 -1.29 -0.23 0.00 -0.27 0.00 0.00 62.75 60.96 2k8d n ILE 34 Cb 0.00 0.25 -0.11 0.00 -1.74 0.00 0.00 39.64 38.04 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 -1.61 2.47 0.31 7.28 0.20 -1.26 -4.99 118.68 121.08 2k8d s LEU 35 Ca 0.29 -1.30 -0.29 0.00 0.69 0.00 0.00 54.13 53.52 2k8d s LEU 35 Cb 0.19 -0.62 -0.12 0.00 -0.43 0.00 0.00 46.19 45.21 2k8d s LEU 35 CO 0.13 -0.46 1.38 0.47 -0.29 0.00 0.00 176.35 177.58 2k8d n ASP 36 N -0.72 2.97 0.00 3.68 9.92 -1.26 -4.84 116.55 126.30 2k8d n ASP 36 Ca -0.04 1.18 0.08 0.00 -0.53 0.00 0.00 54.79 55.48 2k8d n ASP 36 Cb 0.65 -1.49 0.42 0.00 -0.64 0.00 0.00 41.12 40.06 2k8d n ASP 36 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2k8d n PRO 37 N 1.19 0.32 -0.06 -0.24 -0.04 -1.26 -0.73 135.00 134.18 2k8d n PRO 37 Ca 0.07 0.09 -0.09 0.00 -0.04 0.00 0.00 63.50 63.53 2k8d n PRO 37 Cb 0.35 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.16 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 -1.18 0.66 -0.03 0.54 2.13 -1.26 -4.57 120.64 116.93 2k8d n GLU 38 Ca 0.09 0.15 -0.11 0.00 0.66 0.00 0.00 57.16 57.95 2k8d n GLU 38 Cb 0.10 -1.66 -0.05 0.00 0.27 0.00 0.00 31.44 30.10 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 1.00 0.19 -0.81 4.31 0.00 -1.24 0.24 119.26 122.94 2k8d h ALA 39 Ca -0.42 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.48 2k8d h ALA 39 Cb 2.13 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.82 2k8d h ALA 39 CO 0.05 -0.30 0.53 0.35 0.00 0.00 0.00 179.25 179.89 2k8d h PHE 40 N 0.16 0.97 0.10 0.00 3.57 -1.70 0.16 116.94 120.20 2k8d h PHE 40 Ca 0.05 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.41 2k8d h PHE 40 Cb 0.04 -0.33 0.01 0.00 2.79 0.00 0.00 35.95 38.46 2k8d h PHE 40 CO -0.05 0.58 -0.76 0.07 -2.23 0.00 0.00 178.31 175.92 2k8d h ARG 41 N 1.02 0.21 -0.11 1.11 0.11 -1.76 -3.34 114.38 111.62 2k8d h ARG 41 Ca 0.32 -0.37 0.03 0.00 0.10 0.00 0.00 59.98 60.06 2k8d h ARG 41 Cb 0.00 0.14 -0.00 0.00 1.11 0.00 0.00 29.97 31.21 2k8d h ARG 41 CO -0.09 1.18 0.10 0.28 0.10 0.00 0.00 179.97 181.53 2k8d h VAL 42 N -0.52 0.75 0.00 0.08 2.07 0.04 0.17 116.25 118.85 2k8d h VAL 42 Ca -0.15 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.37 2k8d h VAL 42 Cb 1.51 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 2k8d h VAL 42 CO 0.09 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.68 2k8d n ALA 43 N -2.47 1.49 -0.00 1.67 0.00 0.50 -0.88 120.51 120.82 2k8d n ALA 43 Ca -0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 53.44 53.40 2k8d n ALA 43 Cb 0.21 -1.15 -0.01 0.00 0.00 0.00 0.00 19.45 18.51 2k8d n ALA 43 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2k8d n ARG 44 N -1.41 2.92 -0.38 0.00 1.85 0.57 -4.68 116.66 115.52 2k8d n ARG 44 Ca 0.03 -0.00 0.09 0.00 -1.00 0.00 0.00 57.85 56.97 2k8d n ARG 44 Cb 0.09 -1.02 0.27 0.00 -1.05 0.00 0.00 32.46 30.75 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 -1.90 3.09 -0.90 2.89 2.85 -0.96 -4.98 118.16 118.25 2k8d n LYS 45 Ca -0.01 -2.54 0.00 0.00 -1.05 0.00 0.00 58.31 54.71 2k8d n LYS 45 Cb 0.40 -1.59 0.00 0.00 -0.65 0.00 0.00 35.03 33.19 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 0.90 0.00 0.00 0.58 0.00 -0.06 -2.60 120.51 119.33 2k8d n ALA 46 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2k8d n ALA 46 Cb 0.66 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 0.30 1.29 3.15 0.00 0.00 -1.12 -3.07 105.19 105.75 2k8d n GLY 47 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.00 1.44 0.67 2.61 -1.32 -1.07 -5.05 115.64 110.93 2k8d s THR 48 Ca 0.00 -0.74 -0.03 0.00 -1.21 0.00 0.00 61.69 59.70 2k8d s THR 48 Cb 0.00 -1.23 0.07 0.00 -1.51 0.00 0.00 72.50 69.84 2k8d s THR 48 CO 0.00 0.41 0.95 -1.61 -2.21 0.00 0.00 174.62 172.16 2k8d s GLU 49 N -0.12 2.10 0.92 7.08 2.02 -1.26 -4.75 118.70 124.69 2k8d s GLU 49 Ca -0.00 -0.62 -0.11 0.00 0.02 0.00 0.00 54.97 54.25 2k8d s GLU 49 Cb -0.10 -2.29 0.14 0.00 0.10 0.00 0.00 34.13 31.98 2k8d s GLU 49 CO 0.01 -1.18 1.09 -1.25 0.02 0.00 0.00 175.26 173.95 2k8d s PRO 50 N -5.10 1.07 0.00 0.39 0.04 -1.26 -4.90 135.00 125.24 2k8d s PRO 50 Ca 0.61 0.97 0.11 0.00 0.04 0.00 0.00 61.00 62.74 2k8d s PRO 50 Cb -0.09 -1.77 0.51 0.00 0.04 0.00 0.00 34.50 33.19 2k8d s PRO 50 CO 0.43 -2.42 1.30 -0.35 0.04 0.00 0.00 177.00 176.01 2k8d n PRO 51 N -4.02 0.08 0.28 0.56 -0.04 -1.26 -2.53 135.00 128.06 2k8d n PRO 51 Ca 0.07 0.25 0.17 0.00 -0.04 0.00 0.00 63.50 63.95 2k8d n PRO 51 Cb 0.54 -1.50 0.83 0.00 -0.04 0.00 0.00 33.50 33.33 2k8d n PRO 51 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2k8d h PHE 52 N 0.00 0.00 0.00 0.54 0.04 -2.05 -1.17 116.94 114.30 2k8d h PHE 52 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2k8d h PHE 52 Cb 0.15 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.30 2k8d h PHE 52 CO 0.00 0.00 -0.15 -2.37 -0.60 0.00 0.00 178.31 175.19 2k8d n THR 53 N -3.12 0.95 -3.36 -1.55 5.66 -1.05 -4.97 114.28 106.84 2k8d n THR 53 Ca -0.00 -1.11 -0.16 0.00 -3.05 0.00 0.00 64.05 59.73 2k8d n THR 53 Cb 0.40 0.25 -0.08 0.00 -1.55 0.00 0.00 70.33 69.36 2k8d n THR 53 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2k8d s GLY 54 N -1.66 -0.08 0.16 1.09 0.00 -0.44 -4.98 107.32 101.41 2k8d s GLY 54 Ca 0.13 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 43.99 2k8d s GLY 54 CO 0.01 2.76 0.00 1.17 0.00 0.00 0.00 173.10 177.04 2k8d n LYS 55 N 4.38 0.00 -1.20 2.90 4.81 -1.26 -4.46 118.16 123.33 2k8d n LYS 55 Ca 0.10 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.22 2k8d n LYS 55 Cb 0.46 0.00 0.11 0.00 0.02 0.00 0.00 35.03 35.61 2k8d n LYS 55 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2k8d s TYR 56 N -2.00 2.25 0.13 5.64 2.02 -1.26 -5.08 117.35 119.05 2k8d s TYR 56 Ca 0.00 1.63 -0.15 0.00 -0.37 0.00 0.00 57.07 58.18 2k8d s TYR 56 Cb 0.00 -3.20 0.03 0.00 -0.40 0.00 0.00 41.96 38.38 2k8d s TYR 56 CO 0.00 -2.16 0.38 -1.58 -1.57 0.00 0.00 175.55 170.61 2k8d s HIS 57 N -2.63 -0.12 0.38 2.71 2.46 -1.26 -5.19 115.29 111.64 2k8d s HIS 57 Ca 0.65 -0.22 0.06 0.00 0.47 0.00 0.00 55.06 56.02 2k8d s HIS 57 Cb -0.21 0.21 -0.02 0.00 -0.13 0.00 0.00 32.58 32.43 2k8d s HIS 57 CO 0.53 -0.70 0.21 0.16 -2.47 0.00 0.00 174.74 172.47 2k8d s ASP 58 N -2.83 2.28 -0.21 9.88 -4.77 -1.26 -5.17 116.67 114.59 2k8d s ASP 58 Ca 0.04 -1.75 -0.18 0.00 -3.30 0.00 0.00 52.55 47.37 2k8d s ASP 58 Cb 0.02 0.58 0.06 0.00 -1.09 0.00 0.00 42.92 42.48 2k8d s ASP 58 CO -0.11 -1.03 0.56 -0.22 0.70 0.00 0.00 175.17 175.07 2k8d s LEU 59 N -3.50 -0.20 0.19 2.11 0.20 -1.26 -5.18 118.68 111.04 2k8d s LEU 59 Ca 0.32 1.14 -0.15 0.00 0.69 0.00 0.00 54.13 56.13 2k8d s LEU 59 Cb 0.02 1.90 0.02 0.00 -0.43 0.00 0.00 46.19 47.70 2k8d s LEU 59 CO 0.22 -0.20 0.45 -2.28 -0.29 0.00 0.00 176.35 174.25 2k8d s HIS 60 N 0.53 0.06 0.00 5.38 2.46 -1.26 -5.02 115.29 117.43 2k8d s HIS 60 Ca -0.02 -0.41 0.00 0.00 0.47 0.00 0.00 55.06 55.10 2k8d s HIS 60 Cb -0.04 0.26 0.00 0.00 -0.13 0.00 0.00 32.58 32.66 2k8d s HIS 60 CO -0.02 -0.87 1.61 -0.40 -2.47 0.00 0.00 174.74 172.58 2k8d n ASP 61 N -0.31 4.31 -4.14 9.88 5.75 -1.26 -4.85 116.55 125.93 2k8d n ASP 61 Ca -0.09 -2.14 -0.10 0.00 -0.01 0.00 0.00 54.79 52.46 2k8d n ASP 61 Cb 0.62 -0.90 -0.10 0.00 -1.03 0.00 0.00 41.12 39.71 2k8d n ASP 61 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2k8d s ASP 62 N 1.94 0.95 0.00 -1.12 -1.08 -1.26 -4.63 116.67 111.46 2k8d s ASP 62 Ca 0.00 -0.99 0.00 0.00 -0.52 0.00 0.00 52.55 51.04 2k8d s ASP 62 Cb 0.00 0.12 0.00 0.00 -1.46 0.00 0.00 42.92 41.58 2k8d s ASP 62 CO 0.00 -0.49 0.00 0.61 0.52 0.00 0.00 175.17 175.81 2k8d n GLY 63 N 0.05 -0.85 3.49 2.66 0.00 -1.26 -4.59 105.19 104.69 2k8d n GLY 63 Ca -0.13 -1.67 -0.24 0.00 0.00 0.00 0.00 46.02 43.99 2k8d n GLY 63 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2k8d s ILE 64 N -2.02 0.99 -0.28 -0.61 -4.36 0.13 -2.70 121.20 112.34 2k8d s ILE 64 Ca 0.00 -2.00 -0.16 0.00 -0.26 0.00 0.00 60.65 58.23 2k8d s ILE 64 Cb 0.00 -2.60 -0.03 0.00 1.25 0.00 0.00 42.46 41.08 2k8d s ILE 64 CO 0.00 0.00 0.43 -0.31 0.24 0.00 0.00 174.94 175.30 2k8d s TYR 65 N -3.24 3.24 -0.00 1.37 1.51 0.12 -0.59 117.35 119.76 2k8d s TYR 65 Ca 0.30 0.42 -0.30 0.00 -1.01 0.00 0.00 57.07 56.48 2k8d s TYR 65 Cb 0.06 -2.67 -0.07 0.00 -0.11 0.00 0.00 41.96 39.17 2k8d s TYR 65 CO 0.14 -0.30 1.83 1.03 -1.11 0.00 0.00 175.55 177.14 2k8d s ARG 66 N 2.18 4.16 -1.10 -0.62 1.81 0.88 -0.18 118.95 126.07 2k8d s ARG 66 Ca 0.17 2.42 -0.19 0.00 -1.72 0.00 0.00 55.73 56.41 2k8d s ARG 66 Cb -0.16 -4.08 -0.06 0.00 -0.45 0.00 0.00 34.95 30.20 2k8d s ARG 66 CO 0.10 -0.91 2.03 0.00 -0.68 0.00 0.00 175.30 175.85 2k8d h ILE 68 N 4.49 0.73 0.00 0.00 2.10 -1.70 -0.51 117.51 122.62 2k8d h ILE 68 Ca 0.47 -0.38 0.00 0.00 1.08 0.00 0.00 64.86 66.03 2k8d h ILE 68 Cb 0.69 1.23 0.00 0.00 -1.09 0.00 0.00 36.82 37.65 2k8d h ILE 68 CO 1.85 0.09 0.00 0.00 -1.08 0.00 0.00 178.15 179.01 2k8d n GLY 71 N 0.08 -0.50 3.64 0.00 0.00 -0.62 -4.94 105.19 102.85 2k8d n GLY 71 Ca 0.01 0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 2k8d n GLY 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k8d s THR 72 N -3.07 1.02 0.02 2.61 2.01 -0.96 -4.99 115.64 112.28 2k8d s THR 72 Ca 0.42 -2.00 0.01 0.00 0.31 0.00 0.00 61.69 60.42 2k8d s THR 72 Cb -0.21 -2.34 -0.01 0.00 0.01 0.00 0.00 72.50 69.95 2k8d s THR 72 CO 0.51 0.00 -0.04 -1.81 -0.69 0.00 0.00 174.62 172.59 2k8d s ASP 73 N -3.74 0.40 0.00 3.53 1.01 -1.26 0.32 116.67 116.94 2k8d s ASP 73 Ca 0.17 -0.31 0.00 0.00 0.71 0.00 0.00 52.55 53.12 2k8d s ASP 73 Cb 0.03 0.03 0.00 0.00 1.01 0.00 0.00 42.92 43.99 2k8d s ASP 73 CO 0.09 -0.13 0.00 0.00 0.21 0.00 0.00 175.17 175.34 2k8d n LEU 74 N 2.19 0.00 -4.61 1.23 -0.00 0.75 -4.60 117.00 111.95 2k8d n LEU 74 Ca -0.19 0.00 -0.37 0.00 -0.00 0.00 0.00 56.01 55.45 2k8d n LEU 74 Cb 0.57 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 44.05 2k8d n LEU 74 CO 0.23 0.00 0.53 0.49 -0.00 0.00 0.00 177.39 178.63 2k8d n PHE 75 N 0.00 0.74 -4.58 1.47 3.72 -1.26 -4.33 117.46 113.22 2k8d n PHE 75 Ca 0.00 0.42 -0.32 0.00 -0.05 0.00 0.00 57.45 57.50 2k8d n PHE 75 Cb 0.00 -2.12 -0.11 0.00 -0.94 0.00 0.00 39.48 36.31 2k8d n PHE 75 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2k8d s ASP 76 N -1.34 4.33 0.44 4.37 -1.08 -1.26 0.15 116.67 122.28 2k8d s ASP 76 Ca 0.76 -0.22 0.30 0.00 -0.52 0.00 0.00 52.55 52.87 2k8d s ASP 76 Cb -0.40 -0.93 1.57 0.00 -1.46 0.00 0.00 42.92 41.70 2k8d s ASP 76 CO 0.47 0.29 1.90 0.28 0.52 0.00 0.00 175.17 178.63 2k8d h SER 77 N 4.67 0.00 -0.11 -0.34 0.02 -1.76 -1.16 113.55 114.88 2k8d h SER 77 Ca -0.48 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.50 2k8d h SER 77 Cb 1.16 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.70 2k8d h SER 77 CO 0.52 0.00 0.19 1.05 -1.14 0.00 0.00 176.83 177.44 2k8d h GLU 78 N 0.00 0.00 -0.01 3.45 4.11 -1.86 -1.22 114.58 119.05 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 0.00 -0.13 -2.37 0.07 0.00 0.00 179.01 176.58 2k8d n THR 79 N -3.46 0.00 -3.23 -1.06 5.66 -0.45 -4.73 114.28 107.01 2k8d n THR 79 Ca -0.00 -0.43 -0.31 0.00 -3.05 0.00 0.00 64.05 60.25 2k8d n THR 79 Cb 0.29 1.11 -0.05 0.00 -1.55 0.00 0.00 70.33 70.12 2k8d n THR 79 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2k8d n LYS 80 N -0.14 3.19 -2.63 1.09 0.00 -0.46 -3.73 118.16 115.48 2k8d n LYS 80 Ca 0.04 -4.68 -0.12 0.00 0.00 0.00 0.00 58.31 53.55 2k8d n LYS 80 Cb 0.18 -2.32 0.03 0.00 0.00 0.00 0.00 35.03 32.91 2k8d n LYS 80 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2k8d n PHE 81 N 0.75 1.62 -2.18 5.64 7.35 -1.23 -4.78 117.46 124.63 2k8d n PHE 81 Ca 0.30 -2.80 -0.35 0.00 -0.76 0.00 0.00 57.45 53.84 2k8d n PHE 81 Cb 0.38 -0.31 -0.04 0.00 0.35 0.00 0.00 39.48 39.86 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 -3.26 5.51 0.27 -2.13 -1.08 -1.26 -4.95 116.67 109.77 2k8d s ASP 82 Ca 0.31 -0.36 -0.30 0.00 -0.52 0.00 0.00 52.55 51.68 2k8d s ASP 82 Cb 0.44 -2.55 -0.12 0.00 -1.46 0.00 0.00 42.92 39.23 2k8d s ASP 82 CO -0.01 -2.32 1.58 -0.24 0.52 0.00 0.00 175.17 174.70 2k8d n SER 83 N 12.22 3.71 0.00 -0.34 2.88 -1.26 -0.00 113.62 130.82 2k8d n SER 83 Ca 0.27 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.94 2k8d n SER 83 Cb 0.50 -1.57 0.00 0.00 -0.75 0.00 0.00 64.21 62.39 2k8d n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k8d n GLY 84 N 2.39 2.07 0.24 0.46 0.00 -1.26 -4.57 105.19 104.53 2k8d n GLY 84 Ca 0.10 -0.10 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 0.55 -0.72 2.61 2.02 -1.97 -3.47 112.91 111.92 2k8d h THR 85 Ca 0.00 -0.45 -0.21 0.00 0.77 0.00 0.00 66.41 66.52 2k8d h THR 85 Cb 0.00 0.75 -0.08 0.00 -1.74 0.00 0.00 68.15 67.07 2k8d h THR 85 CO 0.00 0.08 -0.19 0.61 0.37 0.00 0.00 175.52 176.39 2k8d n GLY 86 N -0.54 0.97 3.54 2.16 0.00 1.00 -4.98 105.19 107.33 2k8d n GLY 86 Ca -0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.91 0.01 -1.56 1.61 4.27 -1.26 -4.86 117.44 113.75 2k8d n TRP 87 Ca -0.10 0.42 -0.42 0.00 -3.89 0.00 0.00 57.50 53.52 2k8d n TRP 87 Cb 0.49 -2.03 -0.03 0.00 -1.36 0.00 0.00 31.31 28.38 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 -0.69 2.14 -4.13 -2.67 -0.04 -1.26 -4.80 135.00 123.56 2k8d n PRO 88 Ca 0.13 -2.29 -0.14 0.00 -0.04 0.00 0.00 63.50 61.15 2k8d n PRO 88 Cb 0.48 -3.17 -0.11 0.00 -0.04 0.00 0.00 33.50 30.66 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 4.40 1.24 0.37 3.54 1.04 -1.26 -3.98 113.70 119.05 2k8d s SER 89 Ca 0.54 -0.68 0.04 0.00 0.48 0.00 0.00 55.95 56.33 2k8d s SER 89 Cb 0.12 0.01 -0.03 0.00 0.10 0.00 0.00 66.02 66.22 2k8d s SER 89 CO 0.04 -0.21 0.14 -0.36 0.98 0.00 0.00 173.24 173.83 2k8d s PHE 90 N -1.83 1.76 0.00 5.02 0.08 0.44 -4.67 117.98 118.77 2k8d s PHE 90 Ca -0.02 -1.30 0.00 0.00 0.12 0.00 0.00 56.93 55.73 2k8d s PHE 90 Cb -0.07 -1.07 0.00 0.00 -0.57 0.00 0.00 43.02 41.31 2k8d s PHE 90 CO 0.00 -0.36 0.26 2.48 -0.10 0.00 0.00 175.22 177.51 2k8d n TYR 91 N -0.79 0.00 -3.61 0.36 0.18 -1.24 -0.17 117.16 111.88 2k8d n TYR 91 Ca -0.03 0.00 -0.04 0.00 1.88 0.00 0.00 57.90 59.70 2k8d n TYR 91 Cb 0.65 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.60 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 -0.23 -0.54 -4.06 9.48 -0.08 -1.26 -4.55 116.55 115.30 2k8d n ASP 92 Ca 0.00 -1.61 -0.09 0.00 -1.51 0.00 0.00 54.79 51.58 2k8d n ASP 92 Cb 0.04 0.97 -0.11 0.00 2.34 0.00 0.00 41.12 44.37 2k8d n ASP 92 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2k8d s VAL 93 N -2.60 0.30 0.40 5.18 1.01 -1.26 -4.92 120.40 118.51 2k8d s VAL 93 Ca 0.09 -1.43 0.08 0.00 0.00 0.00 0.00 61.98 60.71 2k8d s VAL 93 Cb -0.01 -1.00 0.23 0.00 0.00 0.00 0.00 36.38 35.60 2k8d s VAL 93 CO 0.06 -0.73 2.01 1.62 0.00 0.00 0.00 175.10 178.06 2k8d h VAL 94 N 3.80 1.12 0.00 2.92 3.04 -1.93 -3.47 116.25 121.73 2k8d h VAL 94 Ca -0.34 -0.38 0.00 0.00 -1.01 0.00 0.00 66.70 64.97 2k8d h VAL 94 Cb 1.18 0.76 0.00 0.00 -2.01 0.00 0.00 31.29 31.21 2k8d h VAL 94 CO 0.54 0.14 0.00 -1.20 -1.01 0.00 0.00 177.57 176.05 2k8d n SER 95 N -4.41 0.00 -4.32 3.17 7.64 -1.26 -4.97 113.62 109.47 2k8d n SER 95 Ca 0.01 0.00 -0.44 0.00 1.01 0.00 0.00 58.87 59.45 2k8d n SER 95 Cb 0.13 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.32 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 4.08 0.05 1.43 2.02 -1.26 -4.67 118.70 118.34 2k8d s GLU 96 Ca 0.00 -3.18 0.00 0.00 0.02 0.00 0.00 54.97 51.81 2k8d s GLU 96 Cb 0.00 -4.49 0.00 0.00 0.10 0.00 0.00 34.13 29.74 2k8d s GLU 96 CO 0.00 -1.25 0.00 -2.39 0.02 0.00 0.00 175.26 171.64 2k8d n HIS 97 N 2.75 -0.21 -0.67 1.61 1.44 -1.26 -4.83 115.22 114.05 2k8d n HIS 97 Ca 0.23 0.04 0.00 0.00 -2.01 0.00 0.00 57.72 55.98 2k8d n HIS 97 Cb 0.39 0.14 0.31 0.00 0.12 0.00 0.00 29.99 30.95 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 -2.80 4.75 -4.23 4.39 2.85 -1.22 -4.48 115.26 114.52 2k8d n ASN 98 Ca 0.00 -2.91 -0.23 0.00 -0.11 0.00 0.00 54.58 51.33 2k8d n ASN 98 Cb 0.00 -0.69 -0.13 0.00 1.24 0.00 0.00 39.78 40.20 2k8d n ASN 98 CO 0.00 0.00 0.00 -0.51 -2.11 0.00 0.00 177.26 174.64 2k8d s ILE 99 N -2.56 1.51 -0.03 -1.44 2.07 -1.26 -0.58 121.20 118.91 2k8d s ILE 99 Ca 0.47 -1.32 0.05 0.00 -1.41 0.00 0.00 60.65 58.45 2k8d s ILE 99 Cb 0.37 -1.36 -0.01 0.00 0.13 0.00 0.00 42.46 41.58 2k8d s ILE 99 CO 0.13 0.00 -0.19 -0.54 -1.91 0.00 0.00 174.94 172.43 2k8d s LYS 100 N -1.54 1.68 -0.08 3.50 -0.14 0.60 -4.36 119.74 119.41 2k8d s LYS 100 Ca 0.05 -0.68 -0.04 0.00 -1.36 0.00 0.00 55.97 53.94 2k8d s LYS 100 Cb -0.09 -1.56 0.04 0.00 -1.68 0.00 0.00 37.83 34.54 2k8d s LYS 100 CO 0.03 0.36 0.17 -0.51 -0.76 0.00 0.00 175.35 174.64 2k8d s LEU 101 N -0.29 0.65 -0.19 3.17 1.02 -1.26 -1.49 118.68 120.29 2k8d s LEU 101 Ca 0.03 0.36 -0.01 0.00 0.02 0.00 0.00 54.13 54.54 2k8d s LEU 101 Cb -0.09 0.47 0.05 0.00 0.02 0.00 0.00 46.19 46.65 2k8d s LEU 101 CO 0.00 -0.15 -0.01 -0.13 0.02 0.00 0.00 176.35 176.08 2k8d s ARG 102 N 1.17 1.05 0.03 1.70 3.00 -1.26 -4.93 118.95 119.72 2k8d s ARG 102 Ca -0.09 -0.53 -0.30 0.00 0.00 0.00 0.00 55.73 54.80 2k8d s ARG 102 Cb -0.11 -2.12 -0.05 0.00 0.00 0.00 0.00 34.95 32.68 2k8d s ARG 102 CO -0.07 -0.56 1.21 -2.00 0.00 0.00 0.00 175.30 173.88 2k8d s GLU 103 N 1.71 4.40 0.37 3.54 -6.30 -1.26 -1.77 118.70 119.39 2k8d s GLU 103 Ca -0.01 1.75 0.05 0.00 -2.50 0.00 0.00 54.97 54.26 2k8d s GLU 103 Cb -0.17 -3.42 -0.03 0.00 0.00 0.00 0.00 34.13 30.52 2k8d s GLU 103 CO -0.07 -0.32 0.18 0.34 0.02 0.00 0.00 175.26 175.41 2k8d s ASP 104 N 1.22 2.24 -0.14 -1.70 2.15 0.07 -4.97 116.67 115.54 2k8d s ASP 104 Ca 0.58 -1.69 0.16 0.00 0.43 0.00 0.00 52.55 52.03 2k8d s ASP 104 Cb -0.28 0.52 0.42 0.00 -0.30 0.00 0.00 42.92 43.28 2k8d s ASP 104 CO 0.27 -0.98 1.32 0.54 -0.17 0.00 0.00 175.17 176.15 2k8d n ARG 105 N -0.77 2.53 0.00 4.34 3.00 -1.26 -0.07 116.66 124.43 2k8d n ARG 105 Ca -0.01 -2.63 0.18 0.00 -0.01 0.00 0.00 57.85 55.39 2k8d n ARG 105 Cb 0.64 -1.66 0.66 0.00 0.00 0.00 0.00 32.46 32.10 2k8d n ARG 105 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 2k8d h SER 106 N 1.30 0.05 1.09 0.55 0.02 -1.85 0.28 113.55 115.00 2k8d h SER 106 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k8d h SER 106 Cb 1.21 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.74 2k8d h SER 106 CO 0.13 0.03 0.00 0.00 -1.14 0.00 0.00 176.83 175.85 2k8d n LEU 107 N -4.40 0.49 0.00 5.07 -0.00 -1.26 -4.88 117.00 112.01 2k8d n LEU 107 Ca 0.09 0.57 0.00 0.00 -0.00 0.00 0.00 56.01 56.67 2k8d n LEU 107 Cb 0.55 -0.44 0.00 0.00 -0.00 0.00 0.00 43.42 43.53 2k8d n LEU 107 CO 0.36 -0.22 0.00 0.61 -0.00 0.00 0.00 177.39 178.14 2k8d n GLY 108 N 0.95 0.92 0.00 1.47 0.00 0.95 -5.00 105.19 104.48 2k8d n GLY 108 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.55 0.00 -3.62 1.61 2.81 -0.99 -5.07 117.12 111.31 2k8d n MET 109 Ca 0.00 0.00 -0.19 0.00 -1.81 0.00 0.00 57.70 55.70 2k8d n MET 109 Cb 0.00 0.00 -0.15 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 0.00 -0.24 -0.22 2.03 1.01 -1.26 -4.36 120.40 117.36 2k8d s VAL 110 Ca 0.00 0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.18 2k8d s VAL 110 Cb 0.00 -0.40 0.06 0.00 0.00 0.00 0.00 36.38 36.03 2k8d s VAL 110 CO 0.00 0.02 -0.06 -0.60 0.00 0.00 0.00 175.10 174.46 2k8d s ARG 111 N 2.27 1.71 -0.09 2.72 3.52 0.90 -2.17 118.95 127.81 2k8d s ARG 111 Ca 0.04 -0.94 0.01 0.00 -0.13 0.00 0.00 55.73 54.70 2k8d s ARG 111 Cb -0.13 -2.53 0.02 0.00 -1.56 0.00 0.00 34.95 30.75 2k8d s ARG 111 CO -0.07 -0.55 -0.10 0.00 -0.81 0.00 0.00 175.30 173.76 2k8d s GLU 113 N 1.14 1.14 -0.22 0.00 -1.05 -0.73 -0.14 118.70 118.85 2k8d s GLU 113 Ca -0.06 1.60 -0.04 0.00 -0.15 0.00 0.00 54.97 56.33 2k8d s GLU 113 Cb -0.14 -1.74 0.07 0.00 -0.44 0.00 0.00 34.13 31.88 2k8d s GLU 113 CO -0.02 -2.55 0.08 0.08 0.95 0.00 0.00 175.26 173.80 2k8d s VAL 114 N -2.54 0.22 0.41 1.83 1.01 -0.11 -4.02 120.40 117.19 2k8d s VAL 114 Ca 0.68 -0.56 0.07 0.00 0.00 0.00 0.00 61.98 62.17 2k8d s VAL 114 Cb -0.24 -0.93 -0.08 0.00 0.00 0.00 0.00 36.38 35.13 2k8d s VAL 114 CO 0.56 -0.40 0.01 -0.76 0.00 0.00 0.00 175.10 174.51 2k8d s LEU 115 N 1.98 2.80 0.95 3.92 1.02 -0.55 -1.41 118.68 127.39 2k8d s LEU 115 Ca 0.04 -1.38 -0.11 0.00 0.02 0.00 0.00 54.13 52.69 2k8d s LEU 115 Cb -0.16 -0.85 0.16 0.00 0.02 0.00 0.00 46.19 45.36 2k8d s LEU 115 CO -0.17 -0.48 1.10 0.00 0.02 0.00 0.00 176.35 176.82 2k8d h ALA 117 N -1.87 1.00 0.00 0.00 0.00 -1.04 -3.32 119.26 114.03 2k8d h ALA 117 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2k8d h ALA 117 Cb 1.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2k8d h ALA 117 CO 0.48 0.00 0.00 -2.13 0.00 0.00 0.00 179.25 177.60 2k8d n ARG 118 N -3.09 0.00 -1.59 0.00 3.00 -1.26 -4.89 116.66 108.83 2k8d n ARG 118 Ca -0.01 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.43 2k8d n ARG 118 Cb 0.20 -0.05 -0.01 0.00 0.00 0.00 0.00 32.46 32.59 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 4.79 2.51 -0.04 0.00 9.92 -1.26 -4.24 116.55 128.22 2k8d n ASP 120 Ca 0.63 -2.08 -0.14 0.00 -0.53 0.00 0.00 54.79 52.67 2k8d n ASP 120 Cb 0.32 -0.74 -0.09 0.00 -0.64 0.00 0.00 41.12 39.97 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 6.51 0.11 0.00 2.24 0.00 -1.94 -3.48 119.26 122.70 2k8d h ALA 121 Ca 0.22 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2k8d h ALA 121 Cb 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2k8d h ALA 121 CO 1.03 0.03 0.00 1.58 0.00 0.00 0.00 179.25 181.89 2k8d n HIS 122 N -4.59 -1.55 0.00 0.00 -0.00 -1.26 -5.07 115.22 102.76 2k8d n HIS 122 Ca -0.08 0.07 0.00 0.00 0.46 0.00 0.00 57.72 58.17 2k8d n HIS 122 Cb 0.40 0.44 0.00 0.00 -0.12 0.00 0.00 29.99 30.71 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 -2.14 0.00 0.00 0.27 4.77 -0.51 -4.72 117.00 114.67 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 -0.21 3.56 -0.72 0.00 -0.50 -1.14 105.19 106.18 2k8d n GLY 124 Ca 0.00 0.50 -0.10 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.38 -0.17 1.61 -3.43 -0.26 -0.93 115.29 111.73 2k8d s HIS 125 Ca 0.00 0.08 -0.08 0.00 -0.80 0.00 0.00 55.06 54.26 2k8d s HIS 125 Cb 0.00 0.59 -0.04 0.00 -1.43 0.00 0.00 32.58 31.69 2k8d s HIS 125 CO 0.00 -0.97 0.10 0.54 -2.00 0.00 0.00 174.74 172.41 2k8d s VAL 126 N -3.82 5.19 0.11 -5.38 0.11 0.80 -1.02 120.40 116.39 2k8d s VAL 126 Ca 0.05 0.10 0.05 0.00 -2.93 0.00 0.00 61.98 59.25 2k8d s VAL 126 Cb -0.03 -3.32 -0.04 0.00 -1.53 0.00 0.00 36.38 31.46 2k8d s VAL 126 CO -0.06 0.50 -0.12 0.72 -3.33 0.00 0.00 175.10 172.82 2k8d s PHE 127 N -0.04 1.21 -0.20 1.54 -0.71 -0.28 -0.88 117.98 118.61 2k8d s PHE 127 Ca 0.09 -0.63 -0.29 0.00 -1.04 0.00 0.00 56.93 55.06 2k8d s PHE 127 Cb -0.12 -0.64 -0.04 0.00 -1.21 0.00 0.00 43.02 41.01 2k8d s PHE 127 CO 0.00 0.06 1.95 0.34 -1.34 0.00 0.00 175.22 176.23 2k8d s ASP 128 N -2.52 5.92 0.00 1.98 -1.08 -0.92 -0.04 116.67 120.00 2k8d s ASP 128 Ca 0.08 1.82 0.00 0.00 -0.52 0.00 0.00 52.55 53.93 2k8d s ASP 128 Cb -0.03 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.91 2k8d s ASP 128 CO 0.01 -1.60 0.00 -0.67 0.52 0.00 0.00 175.17 173.43 2k8d n ASP 129 N 9.99 0.00 -4.84 -0.34 2.03 -0.38 -4.87 116.55 118.15 2k8d n ASP 129 Ca 0.24 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.34 2k8d n ASP 129 Cb 0.45 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.81 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 -0.45 1.69 0.25 0.27 0.00 0.35 -4.92 107.32 104.52 2k8d s GLY 130 Ca 0.00 -1.60 0.25 0.00 0.00 0.00 0.00 44.72 43.37 2k8d s GLY 130 CO 0.00 -1.56 1.70 -0.56 0.00 0.00 0.00 173.10 172.68 2k8d h PRO 131 N 1.33 0.00 0.00 2.90 0.13 -1.96 -3.40 132.00 131.00 2k8d h PRO 131 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2k8d h PRO 131 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2k8d h PRO 131 CO 0.59 0.00 0.00 2.89 -0.23 0.00 0.00 178.00 181.25 2k8d n ARG 132 N -2.42 0.00 0.12 0.86 1.85 -1.26 -4.87 116.66 110.94 2k8d n ARG 132 Ca 0.05 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 56.77 2k8d n ARG 132 Cb 0.45 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.78 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 0.00 -0.29 0.00 2.89 0.13 -1.95 -3.38 132.00 129.40 2k8d h PRO 133 Ca 0.00 0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 65.10 2k8d h PRO 133 Cb 0.00 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.19 2k8d h PRO 133 CO 0.00 0.02 -0.26 1.79 -0.23 0.00 0.00 178.00 179.32 2k8d h THR 134 N -0.60 0.56 0.00 1.56 1.35 -1.96 -3.47 112.91 110.34 2k8d h THR 134 Ca -0.03 -1.31 0.00 0.00 -0.55 0.00 0.00 66.41 64.52 2k8d h THR 134 Cb 0.44 1.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 2k8d h THR 134 CO 0.05 0.25 0.00 0.61 -0.25 0.00 0.00 175.52 176.18 2k8d n GLY 135 N 0.43 0.50 3.40 5.82 0.00 -1.26 -4.99 105.19 109.09 2k8d n GLY 135 Ca 0.01 0.00 -0.20 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 -0.48 1.47 -0.24 1.61 -2.85 -1.26 -0.50 119.74 117.49 2k8d s LYS 136 Ca 0.00 -1.70 0.01 0.00 -1.00 0.00 0.00 55.97 53.28 2k8d s LYS 136 Cb 0.00 -1.21 0.06 0.00 -2.06 0.00 0.00 37.83 34.62 2k8d s LYS 136 CO 0.00 0.13 -0.05 0.50 0.10 0.00 0.00 175.35 176.03 2k8d s ARG 137 N -3.67 1.65 -0.50 1.78 3.52 0.94 -4.30 118.95 118.37 2k8d s ARG 137 Ca 0.26 -1.04 -0.28 0.00 -0.13 0.00 0.00 55.73 54.54 2k8d s ARG 137 Cb 0.01 -2.62 0.01 0.00 -1.56 0.00 0.00 34.95 30.79 2k8d s ARG 137 CO 0.10 -0.61 1.49 0.71 -0.81 0.00 0.00 175.30 176.18 2k8d s TYR 138 N 1.36 2.22 -0.05 5.12 1.51 0.77 -1.12 117.35 127.15 2k8d s TYR 138 Ca -0.05 0.57 0.06 0.00 -1.01 0.00 0.00 57.07 56.63 2k8d s TYR 138 Cb -0.19 -4.32 -0.01 0.00 -0.11 0.00 0.00 41.96 37.33 2k8d s TYR 138 CO -0.06 -2.10 -0.23 0.00 -1.11 0.00 0.00 175.55 172.05 2k8d s MET 140 N -0.12 1.31 -0.05 0.00 0.23 -1.26 -1.10 119.30 118.31 2k8d s MET 140 Ca -0.03 -0.56 -0.12 0.00 -1.03 0.00 0.00 55.69 53.96 2k8d s MET 140 Cb -0.13 0.58 0.02 0.00 -1.53 0.00 0.00 34.83 33.77 2k8d s MET 140 CO 0.03 -0.57 0.28 1.21 -2.03 0.00 0.00 175.02 173.94 2k8d s ASN 141 N -2.78 -0.20 0.06 -1.18 3.84 -0.30 -4.81 114.94 109.57 2k8d s ASN 141 Ca 0.02 0.24 -0.13 0.00 0.21 0.00 0.00 52.86 53.20 2k8d s ASN 141 Cb -0.01 0.41 0.05 0.00 -0.55 0.00 0.00 41.25 41.14 2k8d s ASN 141 CO -0.11 -0.30 0.63 -1.54 -2.79 0.00 0.00 177.10 172.99 2k8d n SER 142 N 1.93 -0.85 0.33 -4.21 3.41 -1.26 -1.42 113.62 111.55 2k8d n SER 142 Ca -0.18 -1.37 0.21 0.00 -0.26 0.00 0.00 58.87 57.27 2k8d n SER 142 Cb 0.57 1.37 1.12 0.00 -0.26 0.00 0.00 64.21 67.01 2k8d n SER 142 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k8d h ALA 143 N 2.00 1.10 0.00 7.33 0.00 -1.84 -3.35 119.26 124.50 2k8d h ALA 143 Ca -0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2k8d h ALA 143 Cb 0.66 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2k8d h ALA 143 CO 0.19 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.45 2k8d n ALA 144 N -2.13 1.98 -3.80 0.00 0.00 -1.26 -4.59 120.51 110.71 2k8d n ALA 144 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.12 2k8d n ALA 144 Cb 0.09 -1.00 -0.16 0.00 0.00 0.00 0.00 19.45 18.39 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 0.00 2.08 -0.00 0.00 1.43 -1.26 -2.87 118.68 118.06 2k8d s LEU 145 Ca 0.00 -1.26 0.01 0.00 -1.03 0.00 0.00 54.13 51.85 2k8d s LEU 145 Cb 0.00 -0.89 -0.00 0.00 0.03 0.00 0.00 46.19 45.33 2k8d s LEU 145 CO 0.00 -0.33 -0.03 -0.75 0.23 0.00 0.00 176.35 175.47 2k8d s LYS 146 N 1.61 0.22 0.29 1.70 2.20 -0.94 -4.95 119.74 119.87 2k8d s LYS 146 Ca 0.02 -0.10 -0.28 0.00 -0.36 0.00 0.00 55.97 55.24 2k8d s LYS 146 Cb -0.18 -0.22 -0.09 0.00 -1.51 0.00 0.00 37.83 35.83 2k8d s LYS 146 CO -0.14 0.06 1.02 -0.06 -0.36 0.00 0.00 175.35 175.88 2k8d s PHE 147 N -0.07 3.68 0.24 4.03 0.08 -1.26 -0.09 117.98 124.59 2k8d s PHE 147 Ca 0.01 1.77 0.01 0.00 0.12 0.00 0.00 56.93 58.84 2k8d s PHE 147 Cb -0.01 -3.12 -0.04 0.00 -0.57 0.00 0.00 43.02 39.27 2k8d s PHE 147 CO -0.00 -0.14 0.12 0.96 -0.10 0.00 0.00 175.22 176.05 2k8d s ILE 148 N -1.29 0.29 1.06 0.64 -4.36 0.24 -4.82 121.20 112.96 2k8d s ILE 148 Ca 0.46 -2.00 -0.14 0.00 -0.26 0.00 0.00 60.65 58.71 2k8d s ILE 148 Cb -0.27 -2.57 0.16 0.00 1.25 0.00 0.00 42.46 41.03 2k8d s ILE 148 CO 0.34 0.00 0.64 -0.81 0.24 0.00 0.00 174.94 175.35 2k8d n PRO 149 N -0.39 -1.33 0.29 0.37 -0.04 -1.26 -0.69 135.00 131.94 2k8d n PRO 149 Ca 0.01 -0.35 0.05 0.00 -0.04 0.00 0.00 63.50 63.17 2k8d n PRO 149 Cb 0.66 -2.02 0.27 0.00 -0.04 0.00 0.00 33.50 32.37 2k8d n PRO 149 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k8d h ARG 150 N -2.11 0.00 0.00 0.54 -0.00 -1.91 -3.28 114.38 107.63 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 1.32 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.29 2k8d h ARG 150 CO 0.41 0.00 0.00 -0.25 0.00 0.00 0.00 179.97 180.13 2k8d n ASP 151 N -2.46 0.00 -2.74 7.04 8.00 -1.26 -4.47 116.55 120.66 2k8d n ASP 151 Ca -0.01 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.47 2k8d n ASP 151 Cb 0.72 0.05 0.09 0.00 -0.02 0.00 0.00 41.12 41.95 2k8d n ASP 151 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k8d n GLN 152 N -1.07 1.48 0.17 -1.24 1.13 -1.26 -4.98 117.38 111.60 2k8d n GLN 152 Ca 0.00 -2.43 0.05 0.00 -1.94 0.00 0.00 57.00 52.68 2k8d n GLN 152 Cb 0.00 -0.63 0.19 0.00 0.11 0.00 0.00 30.24 29.91 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 4.35 0.81 0.00 5.09 -0.00 -1.91 -3.53 117.51 122.33 2k8d h ILE 153 Ca -0.27 -1.84 0.00 0.00 -0.00 0.00 0.00 64.86 62.75 2k8d h ILE 153 Cb 1.28 2.18 0.00 0.00 -0.00 0.00 0.00 36.82 40.27 2k8d h ILE 153 CO 0.05 0.41 0.00 0.61 -0.00 0.00 0.00 178.15 179.22