#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x4i s LYS 3 N 0.00 3.88 -0.08 -3.83 1.02 -1.26 -5.00 119.74 114.47 2x4i s LYS 3 Ca 0.00 0.38 0.01 0.00 0.02 0.00 0.00 55.97 56.38 2x4i s LYS 3 Cb 0.00 -2.73 0.02 0.00 -0.52 0.00 0.00 37.83 34.60 2x4i s LYS 3 CO 0.00 0.36 -0.10 0.08 -0.92 0.00 0.00 175.35 174.77 2x4i s VAL 4 N -1.71 1.03 0.31 3.17 1.01 -1.26 -1.80 120.40 121.17 2x4i s VAL 4 Ca 0.45 -0.37 0.08 0.00 0.00 0.00 0.00 61.98 62.13 2x4i s VAL 4 Cb -0.12 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 2x4i s VAL 4 CO 0.20 0.35 0.18 -0.31 0.00 0.00 0.00 175.10 175.52 2x4i s TYR 5 N 1.07 2.84 -0.12 5.22 1.51 -0.21 -0.47 117.35 127.19 2x4i s TYR 5 Ca -0.07 -0.29 0.00 0.00 -1.01 0.00 0.00 57.07 55.70 2x4i s TYR 5 Cb -0.14 -1.60 0.02 0.00 -0.11 0.00 0.00 41.96 40.13 2x4i s TYR 5 CO -0.01 0.35 -0.12 -1.17 -1.11 0.00 0.00 175.55 173.49 2x4i s LEU 6 N -3.87 1.52 0.28 -1.29 2.96 -0.06 -1.61 118.68 116.59 2x4i s LEU 6 Ca 0.37 -0.40 0.02 0.00 -0.22 0.00 0.00 54.13 53.90 2x4i s LEU 6 Cb -0.05 -1.02 -0.04 0.00 0.50 0.00 0.00 46.19 45.58 2x4i s LEU 6 CO 0.24 -0.06 0.14 0.00 -1.32 0.00 0.00 176.35 175.36 2x4i s ALA 7 N 1.40 1.76 -0.22 5.97 0.00 -0.27 -0.94 121.76 129.47 2x4i s ALA 7 Ca 0.01 -1.79 0.14 0.00 0.00 0.00 0.00 51.96 50.33 2x4i s ALA 7 Cb -0.13 1.18 0.54 0.00 0.00 0.00 0.00 23.12 24.71 2x4i s ALA 7 CO -0.07 -0.52 1.46 0.27 0.00 0.00 0.00 175.76 176.91 2x4i n ASN 8 N -0.73 3.64 0.00 0.00 0.23 -1.26 -1.45 115.26 115.69 2x4i n ASN 8 Ca 0.01 -3.20 0.00 0.00 -0.53 0.00 0.00 54.58 50.86 2x4i n ASN 8 Cb 0.65 -0.58 0.00 0.00 -2.08 0.00 0.00 39.78 37.77 2x4i n ASN 8 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2x4i n ALA 9 N -0.63 0.00 -2.64 -2.53 0.00 -1.26 -4.63 120.51 108.82 2x4i n ALA 9 Ca 0.26 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.35 2x4i n ALA 9 Cb 0.97 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.32 2x4i n ALA 9 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2x4i s PHE 10 N -2.00 3.06 -0.02 0.00 5.36 -1.26 -4.98 117.98 118.14 2x4i s PHE 10 Ca 0.00 0.11 -0.02 0.00 -0.96 0.00 0.00 56.93 56.06 2x4i s PHE 10 Cb 0.00 -1.75 0.00 0.00 -0.34 0.00 0.00 43.02 40.94 2x4i s PHE 10 CO 0.00 0.41 0.06 0.45 -1.46 0.00 0.00 175.22 174.68 2x4i s SER 11 N -0.89 -0.03 0.34 6.13 0.15 -1.26 -5.04 113.70 113.10 2x4i s SER 11 Ca 0.13 0.04 0.05 0.00 0.70 0.00 0.00 55.95 56.87 2x4i s SER 11 Cb -0.11 0.13 0.70 0.00 -1.71 0.00 0.00 66.02 65.03 2x4i s SER 11 CO 0.02 -0.08 1.93 0.40 1.20 0.00 0.00 173.24 176.72 2x4i h ILE 12 N 4.95 1.00 0.00 6.45 2.04 -2.00 -1.77 117.51 128.18 2x4i h ILE 12 Ca -0.26 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.32 2x4i h ILE 12 Cb 1.21 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 2x4i h ILE 12 CO 0.46 0.15 0.04 0.78 0.00 0.00 0.00 178.15 179.58 2x4i h ASN 13 N 0.82 0.00 1.15 1.72 4.21 -1.98 -1.24 115.58 120.27 2x4i h ASN 13 Ca 0.36 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.87 2x4i h ASN 13 Cb 0.33 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.53 2x4i h ASN 13 CO -0.13 0.00 0.00 0.24 -1.29 0.00 0.00 177.43 176.25 2x4i h MET 14 N 0.00 0.00 -6.61 0.81 2.86 -1.54 -3.45 114.93 107.00 2x4i h MET 14 Ca 0.00 0.00 -0.51 0.00 -2.06 0.00 0.00 59.70 57.13 2x4i h MET 14 Cb 0.09 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 2x4i h MET 14 CO 0.00 0.00 0.17 -0.51 1.06 0.00 0.00 176.91 177.63 2x4i s LEU 15 N -6.01 4.42 -0.26 1.22 1.43 -0.47 0.51 118.68 119.51 2x4i s LEU 15 Ca 0.02 1.56 0.01 0.00 -1.03 0.00 0.00 54.13 54.70 2x4i s LEU 15 Cb 0.08 -3.57 -0.17 0.00 0.03 0.00 0.00 46.19 42.57 2x4i s LEU 15 CO 0.55 0.07 -0.23 0.35 0.23 0.00 0.00 176.35 177.32 2x4i n THR 16 N 0.96 1.48 -4.61 5.49 -2.24 -1.12 -4.88 114.28 109.35 2x4i n THR 16 Ca -0.03 -0.56 -0.30 0.00 -2.27 0.00 0.00 64.05 60.89 2x4i n THR 16 Cb 0.50 -1.43 -0.13 0.00 -2.10 0.00 0.00 70.33 67.17 2x4i n THR 16 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2x4i s LYS 17 N -2.51 1.97 0.02 -0.78 1.02 -1.26 -5.14 119.74 113.06 2x4i s LYS 17 Ca -0.35 -1.04 0.03 0.00 0.02 0.00 0.00 55.97 54.64 2x4i s LYS 17 Cb 0.09 -2.15 -0.02 0.00 -0.52 0.00 0.00 37.83 35.24 2x4i s LYS 17 CO 0.59 0.52 -0.10 -0.06 -0.92 0.00 0.00 175.35 175.38 2x4i s PHE 18 N -0.95 0.88 0.56 3.18 0.40 -1.26 -4.09 117.98 116.70 2x4i s PHE 18 Ca 0.15 -0.31 -0.18 0.00 -0.60 0.00 0.00 56.93 55.99 2x4i s PHE 18 Cb -0.10 -0.53 -0.05 0.00 0.51 0.00 0.00 43.02 42.84 2x4i s PHE 18 CO 0.06 -0.01 1.10 -1.25 0.70 0.00 0.00 175.22 175.81 2x4i s PRO 19 N -0.91 3.31 0.04 0.24 0.04 -1.26 -5.20 135.00 131.27 2x4i s PRO 19 Ca -0.01 1.46 -0.00 0.00 0.04 0.00 0.00 61.00 62.49 2x4i s PRO 19 Cb -0.07 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 2x4i s PRO 19 CO 0.00 -0.85 -0.04 -0.08 0.04 0.00 0.00 177.00 176.07 2x4i s THR 20 N -2.03 0.24 -0.05 1.26 -1.32 -1.26 -5.13 115.64 107.36 2x4i s THR 20 Ca 0.69 -1.36 0.04 0.00 -1.21 0.00 0.00 61.69 59.85 2x4i s THR 20 Cb -0.21 -0.90 -0.02 0.00 -1.51 0.00 0.00 72.50 69.86 2x4i s THR 20 CO 0.30 -0.71 -0.17 -0.75 -2.21 0.00 0.00 174.62 171.08 2x4i s LYS 21 N -2.63 2.49 0.01 7.08 2.20 -1.24 -4.99 119.74 122.67 2x4i s LYS 21 Ca -0.04 -0.75 0.05 0.00 -0.36 0.00 0.00 55.97 54.87 2x4i s LYS 21 Cb -0.02 -2.32 -0.02 0.00 -1.51 0.00 0.00 37.83 33.97 2x4i s LYS 21 CO -0.05 0.57 -0.16 0.14 -0.36 0.00 0.00 175.35 175.49 2x4i s VAL 22 N -0.60 1.25 -0.24 4.02 -7.23 -1.26 0.15 120.40 116.49 2x4i s VAL 22 Ca 0.09 -0.82 -0.08 0.00 -1.81 0.00 0.00 61.98 59.36 2x4i s VAL 22 Cb -0.11 -1.07 -0.04 0.00 0.56 0.00 0.00 36.38 35.72 2x4i s VAL 22 CO 0.01 0.24 0.10 -0.69 -0.31 0.00 0.00 175.10 174.44 2x4i s VAL 23 N -0.54 4.66 -0.10 1.32 1.01 -0.39 -4.98 120.40 121.36 2x4i s VAL 23 Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.97 2x4i s VAL 23 Cb -0.07 -3.17 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 2x4i s VAL 23 CO 0.00 0.35 -0.10 -0.63 0.00 0.00 0.00 175.10 174.72 2x4i s ILE 24 N 1.33 3.37 -0.02 2.22 1.01 -1.26 -1.59 121.20 126.27 2x4i s ILE 24 Ca 0.06 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 60.15 2x4i s ILE 24 Cb -0.15 -2.40 0.01 0.00 0.01 0.00 0.00 42.46 39.93 2x4i s ILE 24 CO 0.05 0.55 -0.05 -0.62 0.00 0.00 0.00 174.94 174.87 2x4i s ASP 25 N -0.14 0.68 -0.27 3.58 2.15 0.54 -4.98 116.67 118.23 2x4i s ASP 25 Ca 0.00 -0.10 -0.27 0.00 0.43 0.00 0.00 52.55 52.62 2x4i s ASP 25 Cb -0.13 -0.18 0.01 0.00 -0.30 0.00 0.00 42.92 42.31 2x4i s ASP 25 CO 0.03 0.02 0.94 -0.75 -0.17 0.00 0.00 175.17 175.24 2x4i s LYS 26 N 0.25 4.13 0.28 4.34 2.20 -1.26 0.39 119.74 130.07 2x4i s LYS 26 Ca -0.03 1.02 0.10 0.00 -0.36 0.00 0.00 55.97 56.70 2x4i s LYS 26 Cb -0.07 -3.68 -0.04 0.00 -1.51 0.00 0.00 37.83 32.53 2x4i s LYS 26 CO -0.00 -0.68 -0.03 0.96 -0.36 0.00 0.00 175.35 175.25 2x4i s ILE 27 N 3.16 3.23 0.89 5.43 -4.36 0.37 -4.96 121.20 124.97 2x4i s ILE 27 Ca 0.40 -1.98 -0.12 0.00 -0.26 0.00 0.00 60.65 58.68 2x4i s ILE 27 Cb -0.14 -2.77 0.17 0.00 1.25 0.00 0.00 42.46 40.97 2x4i s ILE 27 CO 0.10 -0.36 1.23 1.51 0.24 0.00 0.00 174.94 177.66 2x4i s ASP 28 N -3.66 3.56 0.27 4.36 1.47 -1.26 -4.13 116.67 117.28 2x4i s ASP 28 Ca 0.32 0.19 -0.04 0.00 1.18 0.00 0.00 52.55 54.19 2x4i s ASP 28 Cb -0.06 -0.36 0.35 0.00 -0.34 0.00 0.00 42.92 42.51 2x4i s ASP 28 CO 0.19 -2.44 1.94 -0.09 0.68 0.00 0.00 175.17 175.45 2x4i h ARG 29 N -1.32 1.19 -0.02 2.11 2.43 -1.99 -2.63 114.38 114.15 2x4i h ARG 29 Ca -0.43 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 58.66 2x4i h ARG 29 Cb 1.25 -0.26 -0.00 0.00 -0.42 0.00 0.00 29.97 30.54 2x4i h ARG 29 CO 0.42 0.80 0.01 -0.07 -1.51 0.00 0.00 179.97 179.62 2x4i h LEU 30 N 1.22 0.02 -0.64 3.80 3.38 -1.98 -0.94 115.31 120.17 2x4i h LEU 30 Ca 0.33 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 58.14 2x4i h LEU 30 Cb -0.12 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2x4i h LEU 30 CO -0.07 0.05 -0.27 -0.08 0.09 0.00 0.00 178.44 178.16 2x4i h GLU 31 N -0.01 0.78 0.60 1.13 4.81 -1.94 -2.07 114.58 117.87 2x4i h GLU 31 Ca 0.01 -0.34 -0.02 0.00 -0.13 0.00 0.00 59.36 58.87 2x4i h GLU 31 Cb 0.03 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 2x4i h GLU 31 CO -0.00 0.96 -0.35 0.35 -0.73 0.00 0.00 179.01 179.24 2x4i h PHE 32 N 0.67 -0.91 -0.70 0.92 3.57 -1.28 -1.49 116.94 117.72 2x4i h PHE 32 Ca 0.08 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 2x4i h PHE 32 Cb 0.79 0.32 -0.03 0.00 2.79 0.00 0.00 35.95 39.82 2x4i h PHE 32 CO 0.04 -0.54 0.37 0.00 -2.23 0.00 0.00 178.31 175.96 2x4i h GLU 34 N 0.97 1.13 0.00 0.00 4.81 -1.24 -1.33 114.58 118.92 2x4i h GLU 34 Ca 0.25 -0.11 -0.17 0.00 -0.13 0.00 0.00 59.36 59.20 2x4i h GLU 34 Cb 0.03 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.15 2x4i h GLU 34 CO -0.04 0.80 -1.01 -0.91 -0.73 0.00 0.00 179.01 177.12 2x4i h ASN 35 N 1.15 0.00 1.08 1.04 4.21 -0.72 -3.33 115.58 119.01 2x4i h ASN 35 Ca 0.30 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.81 2x4i h ASN 35 Cb -0.03 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.17 2x4i h ASN 35 CO -0.05 0.71 -0.89 0.16 -1.29 0.00 0.00 177.43 176.06 2x4i h ILE 36 N 0.00 0.00 -0.15 2.81 3.07 -1.27 -3.41 117.51 118.56 2x4i h ILE 36 Ca -0.08 -0.98 -0.69 0.00 1.55 0.00 0.00 64.86 64.67 2x4i h ILE 36 Cb 1.61 1.52 -0.03 0.00 -0.27 0.00 0.00 36.82 39.65 2x4i h ILE 36 CO 0.08 0.00 2.83 -0.67 -1.05 0.00 0.00 178.15 179.34 2x4i n ASP 37 N -2.69 3.84 -3.72 2.16 2.03 -0.50 -4.85 116.55 112.82 2x4i n ASP 37 Ca 0.01 -2.83 -0.11 0.00 0.52 0.00 0.00 54.79 52.38 2x4i n ASP 37 Cb 0.54 -1.61 -0.06 0.00 -0.72 0.00 0.00 41.12 39.27 2x4i n ASP 37 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 2x4i s ASN 38 N 3.68 -0.15 0.10 1.67 0.01 -1.26 -4.98 114.94 114.01 2x4i s ASN 38 Ca 0.50 -0.27 -0.16 0.00 -0.71 0.00 0.00 52.86 52.23 2x4i s ASN 38 Cb 0.12 0.40 -0.08 0.00 0.41 0.00 0.00 41.25 42.11 2x4i s ASN 38 CO -0.03 -0.71 1.45 -0.33 -1.51 0.00 0.00 177.10 175.97 2x4i h GLU 39 N 2.85 0.65 -0.60 -0.60 5.08 -1.97 -3.28 114.58 116.70 2x4i h GLU 39 Ca -0.33 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 57.74 2x4i h GLU 39 Cb 1.22 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2x4i h GLU 39 CO 0.47 0.89 0.00 -0.25 -1.00 0.00 0.00 179.01 179.12 2x4i n ASP 40 N -4.36 3.54 -4.78 1.42 10.43 -1.26 -4.94 116.55 116.60 2x4i n ASP 40 Ca -0.03 -2.25 -0.36 0.00 2.57 0.00 0.00 54.79 54.72 2x4i n ASP 40 Cb 0.40 -0.47 -0.01 0.00 1.84 0.00 0.00 41.12 42.88 2x4i n ASP 40 CO 0.00 0.00 0.00 -0.51 -1.07 0.00 0.00 177.20 175.62 2x4i s ILE 41 N -1.64 3.29 -0.30 0.53 1.10 -1.24 -4.54 121.20 118.39 2x4i s ILE 41 Ca 0.38 0.89 -0.03 0.00 -0.51 0.00 0.00 60.65 61.38 2x4i s ILE 41 Cb 0.24 -3.41 0.04 0.00 0.15 0.00 0.00 42.46 39.48 2x4i s ILE 41 CO 0.20 -0.09 0.02 -0.63 -2.11 0.00 0.00 174.94 172.33 2x4i s ILE 42 N -1.69 3.23 -0.39 2.00 1.01 0.38 -5.00 121.20 120.73 2x4i s ILE 42 Ca 0.67 -1.19 -0.25 0.00 0.00 0.00 0.00 60.65 59.87 2x4i s ILE 42 Cb -0.25 -2.79 0.02 0.00 0.01 0.00 0.00 42.46 39.45 2x4i s ILE 42 CO 0.29 -0.04 0.89 0.21 0.00 0.00 0.00 174.94 176.29 2x4i s ASN 43 N 1.32 6.60 0.00 3.58 2.47 -1.26 -0.88 114.94 126.77 2x4i s ASN 43 Ca -0.03 0.39 0.20 0.00 0.42 0.00 0.00 52.86 53.85 2x4i s ASN 43 Cb -0.19 -2.44 0.35 0.00 -1.45 0.00 0.00 41.25 37.52 2x4i s ASN 43 CO -0.01 -0.88 1.30 -0.24 -3.72 0.00 0.00 177.10 173.56 2x4i n SER 44 N 6.79 3.18 -4.68 -4.21 2.88 -0.11 -4.55 113.62 112.92 2x4i n SER 44 Ca 0.06 -1.93 -0.41 0.00 -1.33 0.00 0.00 58.87 55.26 2x4i n SER 44 Cb 0.48 -0.19 -0.04 0.00 -0.75 0.00 0.00 64.21 63.70 2x4i n SER 44 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2x4i s ILE 45 N -1.41 4.93 -0.11 2.46 1.01 -1.12 -4.10 121.20 122.87 2x4i s ILE 45 Ca 0.33 1.53 0.21 0.00 0.00 0.00 0.00 60.65 62.72 2x4i s ILE 45 Cb 0.20 -4.09 -0.22 0.00 0.01 0.00 0.00 42.46 38.35 2x4i s ILE 45 CO 0.28 0.08 0.59 0.61 0.00 0.00 0.00 174.94 176.49 2x4i n GLY 46 N 3.46 -1.13 3.82 6.18 0.00 -1.26 -2.20 105.19 114.06 2x4i n GLY 46 Ca 0.03 -0.37 -0.36 0.00 0.00 0.00 0.00 46.02 45.31 2x4i n GLY 46 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2x4i s HIS 47 N -3.24 3.66 0.22 1.61 3.76 -1.26 -4.72 115.29 115.33 2x4i s HIS 47 Ca -0.06 1.30 0.06 0.00 -0.15 0.00 0.00 55.06 56.21 2x4i s HIS 47 Cb 0.11 -2.54 0.18 0.00 1.11 0.00 0.00 32.58 31.44 2x4i s HIS 47 CO 0.86 0.39 1.51 -0.44 -0.85 0.00 0.00 174.74 176.21 2x4i h ASP 48 N 3.60 0.14 0.41 1.40 3.45 -1.99 -2.84 116.42 120.58 2x4i h ASP 48 Ca -0.48 -0.09 -0.02 0.00 0.43 0.00 0.00 57.03 56.87 2x4i h ASP 48 Cb 1.20 -0.04 -0.00 0.00 -0.56 0.00 0.00 39.33 39.92 2x4i h ASP 48 CO 0.65 0.80 -0.24 0.28 -1.57 0.00 0.00 179.24 179.17 2x4i h SER 49 N 0.07 -0.58 -0.59 6.45 0.02 -1.99 -1.06 113.55 115.87 2x4i h SER 49 Ca -0.02 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 2x4i h SER 49 Cb 1.26 0.17 -0.03 0.00 0.14 0.00 0.00 62.40 63.94 2x4i h SER 49 CO 0.10 -0.38 0.33 0.74 -1.14 0.00 0.00 176.83 176.48 2x4i h THR 50 N -0.61 1.19 0.03 -2.27 2.02 -1.99 -1.83 112.91 109.46 2x4i h THR 50 Ca -0.05 -0.49 -0.24 0.00 0.77 0.00 0.00 66.41 66.40 2x4i h THR 50 Cb 0.49 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 2x4i h THR 50 CO 0.06 0.21 -1.02 -0.29 0.37 0.00 0.00 175.52 174.85 2x4i h ILE 51 N 0.86 1.41 0.00 3.11 6.09 -1.27 -2.00 117.51 125.71 2x4i h ILE 51 Ca 0.22 -2.57 -0.18 0.00 -1.37 0.00 0.00 64.86 60.96 2x4i h ILE 51 Cb 0.04 2.54 -0.02 0.00 0.47 0.00 0.00 36.82 39.85 2x4i h ILE 51 CO -0.03 0.76 -0.84 1.56 -3.07 0.00 0.00 178.15 176.53 2x4i h GLN 52 N 0.20 0.11 -0.50 2.19 1.08 -1.14 -1.57 115.11 115.49 2x4i h GLN 52 Ca -0.10 -0.12 0.02 0.00 -1.45 0.00 0.00 58.65 57.01 2x4i h GLN 52 Cb 1.68 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 29.11 2x4i h GLN 52 CO 0.18 0.88 0.29 1.25 -0.95 0.00 0.00 178.83 180.48 2x4i h LEU 53 N 0.06 0.47 -0.27 1.46 5.85 -1.29 0.20 115.31 121.79 2x4i h LEU 53 Ca -0.03 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 2x4i h LEU 53 Cb 1.46 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.38 2x4i h LEU 53 CO 0.12 0.33 -0.11 0.40 -0.34 0.00 0.00 178.44 178.84 2x4i h ILE 54 N 0.59 1.29 -0.57 4.05 2.04 -1.30 -2.11 117.51 121.51 2x4i h ILE 54 Ca 0.20 -1.18 -0.02 0.00 1.00 0.00 0.00 64.86 64.86 2x4i h ILE 54 Cb 0.03 1.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 2x4i h ILE 54 CO -0.09 0.37 0.27 0.78 0.00 0.00 0.00 178.15 179.47 2x4i h ASN 55 N 0.29 0.75 -0.40 1.72 2.35 -1.17 0.10 115.58 119.21 2x4i h ASN 55 Ca 0.06 -0.14 0.05 0.00 -0.55 0.00 0.00 56.30 55.73 2x4i h ASN 55 Cb 0.61 -0.19 -0.05 0.00 0.05 0.00 0.00 38.32 38.75 2x4i h ASN 55 CO 0.04 0.67 0.13 0.28 -1.65 0.00 0.00 177.43 176.90 2x4i h SER 56 N 0.77 0.12 0.31 5.81 0.02 -0.59 0.39 113.55 120.39 2x4i h SER 56 Ca 0.19 0.05 -0.20 0.00 -0.84 0.00 0.00 61.79 60.99 2x4i h SER 56 Cb 0.13 0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.71 2x4i h SER 56 CO -0.02 0.11 -0.83 0.25 -1.14 0.00 0.00 176.83 175.19 2x4i h LEU 57 N 0.29 0.49 0.00 5.07 5.85 -1.03 -3.35 115.31 122.63 2x4i h LEU 57 Ca 0.19 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.55 2x4i h LEU 57 Cb 0.18 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.07 2x4i h LEU 57 CO -0.20 1.13 -0.71 0.00 -0.34 0.00 0.00 178.44 178.32 2x4i n GLY 59 N 1.36 0.13 3.89 0.00 0.00 0.14 -5.01 105.19 105.70 2x4i n GLY 59 Ca 0.02 -0.19 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 2x4i n GLY 59 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2x4i s THR 60 N -3.17 1.71 -0.33 2.61 -4.23 -1.16 -5.07 115.64 106.01 2x4i s THR 60 Ca 0.23 -1.51 0.17 0.00 -1.18 0.00 0.00 61.69 59.40 2x4i s THR 60 Cb -0.10 -2.22 0.46 0.00 1.34 0.00 0.00 72.50 71.98 2x4i s THR 60 CO 0.38 0.00 0.96 0.35 -0.54 0.00 0.00 174.62 175.77 2x4i n THR 61 N -1.72 1.08 -1.20 3.99 -2.24 -1.26 -4.65 114.28 108.29 2x4i n THR 61 Ca -0.02 -3.17 -0.30 0.00 -2.27 0.00 0.00 64.05 58.29 2x4i n THR 61 Cb 0.64 0.55 0.13 0.00 -2.10 0.00 0.00 70.33 69.55 2x4i n THR 61 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 2x4i s PHE 62 N -3.16 2.36 0.17 4.78 0.08 -1.26 -5.09 117.98 115.86 2x4i s PHE 62 Ca 0.28 1.34 0.07 0.00 0.12 0.00 0.00 56.93 58.75 2x4i s PHE 62 Cb 0.45 -3.14 -0.04 0.00 -0.57 0.00 0.00 43.02 39.73 2x4i s PHE 62 CO 0.02 -2.27 -0.15 -0.65 -0.10 0.00 0.00 175.22 172.07 2x4i s GLN 63 N -4.92 1.23 -0.43 0.44 -0.21 -1.26 -4.95 119.66 109.56 2x4i s GLN 63 Ca 0.63 -1.44 -0.27 0.00 0.02 0.00 0.00 55.36 54.30 2x4i s GLN 63 Cb -0.18 -1.13 -0.06 0.00 1.00 0.00 0.00 33.01 32.65 2x4i s GLN 63 CO 0.57 0.21 2.26 -1.59 -2.12 0.00 0.00 175.29 174.61 2x4i s LYS 64 N -3.14 2.49 -0.17 2.91 -2.85 -1.26 -4.91 119.74 112.81 2x4i s LYS 64 Ca 0.17 1.46 -0.01 0.00 -1.00 0.00 0.00 55.97 56.59 2x4i s LYS 64 Cb -0.03 -4.49 0.05 0.00 -2.06 0.00 0.00 37.83 31.30 2x4i s LYS 64 CO 0.06 -2.84 -0.03 1.21 0.10 0.00 0.00 175.35 173.84 2x4i s ASN 65 N 10.37 2.80 -0.16 0.03 3.84 -0.93 -4.96 114.94 125.92 2x4i s ASN 65 Ca 0.93 -0.68 -0.15 0.00 0.21 0.00 0.00 52.86 53.18 2x4i s ASN 65 Cb -0.21 -0.82 -0.05 0.00 -0.55 0.00 0.00 41.25 39.63 2x4i s ASN 65 CO 0.28 -0.21 0.32 -0.60 -2.79 0.00 0.00 177.10 174.10 2x4i s ARG 66 N 1.70 4.26 0.01 0.43 3.52 -1.26 -2.78 118.95 124.83 2x4i s ARG 66 Ca 0.00 0.15 -0.02 0.00 -0.13 0.00 0.00 55.73 55.73 2x4i s ARG 66 Cb -0.16 -3.44 -0.01 0.00 -1.56 0.00 0.00 34.95 29.78 2x4i s ARG 66 CO -0.07 0.20 0.01 0.08 -0.81 0.00 0.00 175.30 174.70 2x4i s VAL 67 N 0.57 0.10 -0.41 7.11 1.01 -1.26 -5.03 120.40 122.49 2x4i s VAL 67 Ca 0.18 -0.80 -0.24 0.00 0.00 0.00 0.00 61.98 61.12 2x4i s VAL 67 Cb -0.13 -0.28 0.02 0.00 0.00 0.00 0.00 36.38 35.98 2x4i s VAL 67 CO 0.05 -0.44 0.81 -0.70 0.00 0.00 0.00 175.10 174.82 2x4i s GLU 68 N -1.34 3.61 0.08 2.72 2.12 -1.26 -4.91 118.70 119.71 2x4i s GLU 68 Ca -0.15 0.17 -0.30 0.00 0.36 0.00 0.00 54.97 55.05 2x4i s GLU 68 Cb -0.09 -3.87 -0.05 0.00 0.26 0.00 0.00 34.13 30.38 2x4i s GLU 68 CO -0.00 -1.00 0.96 0.42 -0.54 0.00 0.00 175.26 175.09 2x4i s ILE 69 N 3.29 4.60 -0.31 -3.70 1.01 -1.26 -5.03 121.20 119.80 2x4i s ILE 69 Ca 0.32 2.05 -0.01 0.00 0.00 0.00 0.00 60.65 63.01 2x4i s ILE 69 Cb -0.12 -4.31 0.10 0.00 0.01 0.00 0.00 42.46 38.13 2x4i s ILE 69 CO 0.20 0.28 0.10 -0.54 0.00 0.00 0.00 174.94 174.99 2x4i s LYS 70 N 0.25 0.61 0.15 2.79 -0.14 -1.26 -4.50 119.74 117.64 2x4i s LYS 70 Ca 0.48 -0.97 -0.30 0.00 -1.36 0.00 0.00 55.97 53.82 2x4i s LYS 70 Cb -0.23 -1.83 -0.07 0.00 -1.68 0.00 0.00 37.83 34.02 2x4i s LYS 70 CO 0.29 -0.99 0.97 -0.51 -0.76 0.00 0.00 175.35 174.35 2x4i s LEU 71 N 1.71 4.54 0.00 3.17 1.43 0.18 -4.93 118.68 124.77 2x4i s LEU 71 Ca 0.10 1.86 0.01 0.00 -1.03 0.00 0.00 54.13 55.07 2x4i s LEU 71 Cb -0.17 -3.60 0.01 0.00 0.03 0.00 0.00 46.19 42.47 2x4i s LEU 71 CO -0.27 -0.02 0.11 -0.62 0.23 0.00 0.00 176.35 175.77 2x4i n GLU 72 N 2.41 1.03 -1.70 1.70 1.02 -1.26 -2.80 120.64 121.04 2x4i n GLU 72 Ca 0.01 -2.61 -0.44 0.00 -0.02 0.00 0.00 57.16 54.11 2x4i n GLU 72 Cb 0.48 0.55 -0.02 0.00 -0.02 0.00 0.00 31.44 32.44 2x4i n GLU 72 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2x4i n LYS 73 N -1.11 2.22 0.00 3.49 4.81 -1.26 -2.62 118.16 123.70 2x4i n LYS 73 Ca -0.10 0.79 0.00 0.00 -0.87 0.00 0.00 58.31 58.13 2x4i n LYS 73 Cb 0.46 -2.46 0.00 0.00 0.02 0.00 0.00 35.03 33.05 2x4i n LYS 73 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2x4i n GLU 74 N 1.77 0.00 -2.13 1.64 2.13 -0.67 -4.99 120.64 118.39 2x4i n GLU 74 Ca 0.09 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.57 2x4i n GLU 74 Cb 0.34 -1.11 0.01 0.00 0.27 0.00 0.00 31.44 30.94 2x4i n GLU 74 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2x4i s ASP 75 N -3.02 5.64 0.09 4.31 1.01 -1.08 -4.77 116.67 118.85 2x4i s ASP 75 Ca 0.00 2.05 0.09 0.00 0.71 0.00 0.00 52.55 55.40 2x4i s ASP 75 Cb 0.00 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.33 2x4i s ASP 75 CO 0.00 -1.27 -0.23 -0.54 0.21 0.00 0.00 175.17 173.34 2x4i s LYS 76 N -3.60 1.33 -0.06 8.23 1.02 -0.74 -1.90 119.74 124.02 2x4i s LYS 76 Ca 0.69 -1.16 0.01 0.00 0.02 0.00 0.00 55.97 55.54 2x4i s LYS 76 Cb -0.21 -1.62 0.02 0.00 -0.52 0.00 0.00 37.83 35.50 2x4i s LYS 76 CO 0.31 0.39 -0.08 -1.17 -0.92 0.00 0.00 175.35 173.88 2x4i s LEU 77 N -1.73 1.46 -0.25 3.17 2.96 0.83 -1.04 118.68 124.09 2x4i s LEU 77 Ca 0.09 -0.22 -0.06 0.00 -0.22 0.00 0.00 54.13 53.72 2x4i s LEU 77 Cb -0.10 -0.66 -0.01 0.00 0.50 0.00 0.00 46.19 45.92 2x4i s LEU 77 CO 0.04 -0.02 0.03 -0.31 -1.32 0.00 0.00 176.35 174.77 2x4i s TYR 78 N 0.86 3.05 -0.09 5.38 1.51 -0.64 -0.85 117.35 126.58 2x4i s TYR 78 Ca -0.11 -0.72 0.03 0.00 -1.01 0.00 0.00 57.07 55.26 2x4i s TYR 78 Cb -0.15 -2.19 -0.01 0.00 -0.11 0.00 0.00 41.96 39.49 2x4i s TYR 78 CO 0.01 -0.47 -0.18 0.08 -1.11 0.00 0.00 175.55 173.88 2x4i s VAL 79 N 1.54 2.65 -0.45 0.71 1.01 -0.73 -1.12 120.40 124.02 2x4i s VAL 79 Ca 0.05 -0.83 -0.16 0.00 0.00 0.00 0.00 61.98 61.04 2x4i s VAL 79 Cb -0.15 -2.05 0.05 0.00 0.00 0.00 0.00 36.38 34.23 2x4i s VAL 79 CO 0.01 0.55 0.38 -0.69 0.00 0.00 0.00 175.10 175.36 2x4i s VAL 80 N 0.00 5.21 -0.29 2.92 1.01 -0.53 -1.83 120.40 126.89 2x4i s VAL 80 Ca -0.06 -0.82 -0.14 0.00 0.00 0.00 0.00 61.98 60.96 2x4i s VAL 80 Cb -0.15 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 2x4i s VAL 80 CO 0.05 -0.48 0.35 -1.58 0.00 0.00 0.00 175.10 173.43 2x4i s GLN 81 N 1.77 3.91 -0.02 2.72 2.00 0.11 -4.32 119.66 125.83 2x4i s GLN 81 Ca 0.06 -0.10 0.03 0.00 -2.00 0.00 0.00 55.36 53.35 2x4i s GLN 81 Cb -0.21 -3.69 0.12 0.00 0.80 0.00 0.00 33.01 30.03 2x4i s GLN 81 CO 0.09 -0.32 0.90 -0.89 -0.50 0.00 0.00 175.29 174.57 2x4i n ILE 82 N 5.14 0.31 -3.06 -2.34 2.08 -1.26 -2.25 119.36 117.98 2x4i n ILE 82 Ca -0.09 -0.20 -0.15 0.00 0.56 0.00 0.00 62.75 62.87 2x4i n ILE 82 Cb 0.51 -0.19 -0.04 0.00 -0.75 0.00 0.00 39.64 39.16 2x4i n ILE 82 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 2x4i n SER 83 N -0.02 -2.05 0.00 4.38 2.88 -0.81 -4.78 113.62 113.22 2x4i n SER 83 Ca 0.04 -2.66 0.00 0.00 -1.33 0.00 0.00 58.87 54.92 2x4i n SER 83 Cb 0.26 0.66 0.00 0.00 -0.75 0.00 0.00 64.21 64.38 2x4i n SER 83 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2x4i n GLU 95 N 2.88 0.00 -0.20 -1.46 0.28 -1.26 -4.33 120.64 116.56 2x4i n GLU 95 Ca 0.24 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 57.14 2x4i n GLU 95 Cb 0.52 0.00 0.02 0.00 1.43 0.00 0.00 31.44 33.41 2x4i n GLU 95 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2x4i h GLU 96 N 0.00 1.04 -0.21 3.44 5.08 -2.04 -1.69 114.58 120.20 2x4i h GLU 96 Ca 0.00 -0.36 -0.21 0.00 -1.00 0.00 0.00 59.36 57.79 2x4i h GLU 96 Cb 0.00 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.18 2x4i h GLU 96 CO 0.00 1.05 -0.67 0.97 -1.00 0.00 0.00 179.01 179.36 2x4i h ILE 97 N 0.92 1.27 -0.64 3.13 6.09 -2.00 -3.00 117.51 123.28 2x4i h ILE 97 Ca 0.15 -1.86 -0.03 0.00 -1.37 0.00 0.00 64.86 61.76 2x4i h ILE 97 Cb 0.63 1.83 -0.03 0.00 0.47 0.00 0.00 36.82 39.72 2x4i h ILE 97 CO 0.04 0.60 0.30 -0.07 -3.07 0.00 0.00 178.15 175.95 2x4i h LEU 98 N 0.59 0.85 -0.68 2.19 3.38 -1.94 -2.31 115.31 117.39 2x4i h LEU 98 Ca -0.02 -0.14 0.06 0.00 0.09 0.00 0.00 57.88 57.87 2x4i h LEU 98 Cb 1.30 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.77 2x4i h LEU 98 CO 0.14 0.75 0.38 0.50 0.09 0.00 0.00 178.44 180.30 2x4i h LYS 99 N 0.89 0.67 -0.08 1.13 3.64 -1.31 -2.01 116.57 119.49 2x4i h LYS 99 Ca 0.22 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 2x4i h LYS 99 Cb 0.13 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2x4i h LYS 99 CO -0.03 0.44 0.01 -0.07 -2.27 0.00 0.00 179.45 177.54 2x4i h LEU 100 N 0.69 0.12 -1.66 5.20 3.38 -1.35 0.22 115.31 121.91 2x4i h LEU 100 Ca 0.31 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 2x4i h LEU 100 Cb 0.21 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2x4i h LEU 100 CO -0.19 0.34 -0.19 0.22 0.09 0.00 0.00 178.44 178.71 2x4i h TYR 101 N -0.10 0.00 0.00 1.13 3.20 -1.28 -0.43 116.97 119.49 2x4i h TYR 101 Ca 0.02 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2x4i h TYR 101 Cb 0.27 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.54 2x4i h TYR 101 CO 0.01 0.19 -1.06 0.39 -1.64 0.00 0.00 178.16 176.05 2x4i n GLU 102 N -4.10 0.31 0.00 1.82 1.02 -0.77 -3.76 120.64 115.16 2x4i n GLU 102 Ca -0.02 -0.02 0.13 0.00 -0.02 0.00 0.00 57.16 57.23 2x4i n GLU 102 Cb 0.27 -1.47 0.69 0.00 -0.02 0.00 0.00 31.44 30.91 2x4i n GLU 102 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2x4i n SER 103 N -1.56 0.00 -0.17 1.62 2.88 0.75 -4.92 113.62 112.23 2x4i n SER 103 Ca 0.03 -0.15 -0.00 0.00 -1.33 0.00 0.00 58.87 57.42 2x4i n SER 103 Cb 0.34 -0.27 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 2x4i n SER 103 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2x4i n GLY 104 N 0.99 0.52 0.30 0.46 0.00 -1.13 -4.97 105.19 101.36 2x4i n GLY 104 Ca 0.13 -0.82 0.03 0.00 0.00 0.00 0.00 46.02 45.36 2x4i n GLY 104 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2x4i n LYS 105 N -0.90 2.04 -4.92 1.61 4.81 -0.19 -4.94 118.16 115.66 2x4i n LYS 105 Ca -0.00 -1.52 -0.32 0.00 -0.87 0.00 0.00 58.31 55.60 2x4i n LYS 105 Cb 0.50 -1.13 -0.17 0.00 0.02 0.00 0.00 35.03 34.25 2x4i n LYS 105 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2x4i s VAL 106 N -0.85 2.02 0.15 3.15 1.01 -1.23 -1.93 120.40 122.71 2x4i s VAL 106 Ca 0.10 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.12 2x4i s VAL 106 Cb 0.06 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 2x4i s VAL 106 CO 0.08 0.55 0.02 -1.10 0.00 0.00 0.00 175.10 174.64 2x4i s GLN 107 N 0.59 1.01 -0.03 2.72 -0.21 -0.95 -4.97 119.66 117.82 2x4i s GLN 107 Ca -0.13 -1.48 0.06 0.00 0.02 0.00 0.00 55.36 53.83 2x4i s GLN 107 Cb -0.17 -0.05 -0.01 0.00 1.00 0.00 0.00 33.01 33.78 2x4i s GLN 107 CO 0.03 -0.18 -0.22 -0.06 -2.12 0.00 0.00 175.29 172.75 2x4i s PHE 108 N -3.82 2.08 0.00 0.91 0.40 -1.26 -0.71 117.98 115.58 2x4i s PHE 108 Ca 0.23 -0.49 0.00 0.00 -0.60 0.00 0.00 56.93 56.07 2x4i s PHE 108 Cb 0.07 -1.35 -0.00 0.00 0.51 0.00 0.00 43.02 42.24 2x4i s PHE 108 CO 0.02 -0.11 -0.02 -0.06 0.70 0.00 0.00 175.22 175.76 2x4i s PHE 109 N -0.33 0.15 -0.22 0.36 0.40 -0.76 -0.48 117.98 117.10 2x4i s PHE 109 Ca 0.03 -0.07 -0.08 0.00 -0.60 0.00 0.00 56.93 56.22 2x4i s PHE 109 Cb -0.11 -0.10 -0.04 0.00 0.51 0.00 0.00 43.02 43.29 2x4i s PHE 109 CO 0.01 -0.02 0.07 -2.00 0.70 0.00 0.00 175.22 173.99 2x4i s GLU 110 N -0.15 3.82 -0.22 0.44 2.12 0.16 -1.77 118.70 123.09 2x4i s GLU 110 Ca -0.01 -0.41 0.02 0.00 0.36 0.00 0.00 54.97 54.93 2x4i s GLU 110 Cb -0.01 -3.29 0.05 0.00 0.26 0.00 0.00 34.13 31.13 2x4i s GLU 110 CO -0.00 0.02 -0.13 0.42 -0.54 0.00 0.00 175.26 175.04 2x4i s ILE 111 N 1.06 1.95 -0.17 -3.70 1.01 -0.03 -0.34 121.20 120.99 2x4i s ILE 111 Ca 0.04 -1.27 -0.06 0.00 0.00 0.00 0.00 60.65 59.36 2x4i s ILE 111 Cb -0.14 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.30 2x4i s ILE 111 CO 0.03 0.16 0.04 -0.63 0.00 0.00 0.00 174.94 174.54 2x4i s ILE 112 N 1.25 4.64 -0.00 2.92 1.01 -0.62 -0.12 121.20 130.28 2x4i s ILE 112 Ca -0.03 -0.09 -0.06 0.00 0.00 0.00 0.00 60.65 60.47 2x4i s ILE 112 Cb -0.17 -3.07 -0.05 0.00 0.01 0.00 0.00 42.46 39.18 2x4i s ILE 112 CO -0.08 0.49 0.25 -0.69 0.00 0.00 0.00 174.94 174.91 2x4i s VAL 113 N 0.19 5.33 0.00 2.92 1.01 -0.80 -1.27 120.40 127.79 2x4i s VAL 113 Ca 0.03 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.13 2x4i s VAL 113 Cb -0.12 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.70 2x4i s VAL 113 CO 0.01 0.37 0.00 0.47 0.00 0.00 0.00 175.10 175.95