#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d9d n SER 2 N 0.00 1.93 -2.57 1.61 3.41 -1.26 -0.76 113.62 115.99 2d9d n SER 2 Ca 0.00 -0.14 -0.15 0.00 -0.26 0.00 0.00 58.87 58.32 2d9d n SER 2 Cb 0.00 -1.38 0.05 0.00 -0.26 0.00 0.00 64.21 62.62 2d9d n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2d9d n SER 3 N 13.35 -4.14 -3.95 4.04 2.88 -1.26 -5.01 113.62 119.54 2d9d n SER 3 Ca 0.43 -0.37 -0.31 0.00 -1.33 0.00 0.00 58.87 57.29 2d9d n SER 3 Cb 0.37 -3.53 -0.15 0.00 -0.75 0.00 0.00 64.21 60.16 2d9d n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2d9d s GLY 4 N -3.40 1.71 0.18 0.46 0.00 0.06 -5.11 107.32 101.22 2d9d s GLY 4 Ca 0.28 -2.28 -0.19 0.00 0.00 0.00 0.00 44.72 42.54 2d9d s GLY 4 CO 0.48 1.10 0.66 -0.56 0.00 0.00 0.00 173.10 174.79 2d9d s SER 5 N 1.09 7.02 0.62 1.64 0.01 -1.26 -4.10 113.70 118.72 2d9d s SER 5 Ca 0.10 1.32 -0.07 0.00 1.31 0.00 0.00 55.95 58.61 2d9d s SER 5 Cb -0.19 -2.38 0.02 0.00 0.21 0.00 0.00 66.02 63.68 2d9d s SER 5 CO -0.12 0.10 0.95 -0.94 0.41 0.00 0.00 173.24 173.63 2d9d s SER 6 N -1.56 5.47 0.00 2.44 1.04 -1.26 -5.03 113.70 114.80 2d9d s SER 6 Ca 0.39 0.75 0.00 0.00 0.48 0.00 0.00 55.95 57.57 2d9d s SER 6 Cb -0.17 -1.67 0.00 0.00 0.10 0.00 0.00 66.02 64.28 2d9d s SER 6 CO 0.21 -1.17 0.00 0.61 0.98 0.00 0.00 173.24 173.86 2d9d n GLY 7 N -2.69 1.51 0.74 7.32 0.00 -1.26 -4.98 105.19 105.82 2d9d n GLY 7 Ca 0.05 -1.95 -0.01 0.00 0.00 0.00 0.00 46.02 44.11 2d9d n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2d9d n SER 8 N 0.00 0.98 -0.31 1.61 7.64 -1.26 -4.54 113.62 117.74 2d9d n SER 8 Ca 0.00 0.01 0.15 0.00 1.01 0.00 0.00 58.87 60.04 2d9d n SER 8 Cb 0.00 -0.04 0.34 0.00 -1.01 0.00 0.00 64.21 63.50 2d9d n SER 8 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2d9d h ILE 9 N -0.04 0.41 -0.12 0.44 1.08 -2.01 0.65 117.51 117.91 2d9d h ILE 9 Ca -0.04 -0.12 -0.09 0.00 -0.39 0.00 0.00 64.86 64.23 2d9d h ILE 9 Cb 1.04 0.03 -0.01 0.00 -3.07 0.00 0.00 36.82 34.80 2d9d h ILE 9 CO -0.02 0.06 -0.32 -0.07 -0.69 0.00 0.00 178.15 177.12 2d9d h LEU 10 N 0.35 0.24 -0.49 1.44 3.38 -1.94 -2.47 115.31 115.83 2d9d h LEU 10 Ca 0.59 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.53 2d9d h LEU 10 Cb 1.19 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.83 2d9d h LEU 10 CO -0.57 0.56 0.22 0.11 0.09 0.00 0.00 178.44 178.85 2d9d h LYS 11 N 0.21 0.42 -0.19 1.13 1.79 0.08 0.23 116.57 120.23 2d9d h LYS 11 Ca 0.03 -0.03 -0.13 0.00 -2.18 0.00 0.00 60.65 58.34 2d9d h LYS 11 Cb 0.68 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 2d9d h LYS 11 CO 0.05 0.28 -0.39 0.82 -1.08 0.00 0.00 179.45 179.13 2d9d h ILE 12 N 0.43 1.33 -0.52 1.86 5.03 -1.36 -2.33 117.51 121.95 2d9d h ILE 12 Ca 0.22 -1.62 0.05 0.00 -0.12 0.00 0.00 64.86 63.39 2d9d h ILE 12 Cb 0.17 1.88 -0.03 0.00 -3.03 0.00 0.00 36.82 35.81 2d9d h ILE 12 CO -0.18 0.50 0.35 -0.33 -0.68 0.00 0.00 178.15 177.80 2d9d h GLU 13 N 0.28 0.50 0.04 2.37 4.39 -1.10 -2.60 114.58 118.46 2d9d h GLU 13 Ca 0.01 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 2d9d h GLU 13 Cb 0.98 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.52 2d9d h GLU 13 CO 0.09 0.33 -0.02 -0.22 -1.16 0.00 0.00 179.01 178.03 2d9d h LYS 14 N 0.51 -0.05 -1.19 2.33 3.64 -0.89 0.42 116.57 121.34 2d9d h LYS 14 Ca 0.22 0.00 0.34 0.00 -1.27 0.00 0.00 60.65 59.94 2d9d h LYS 14 Cb 0.22 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.00 2d9d h LYS 14 CO -0.06 0.58 0.85 0.28 -2.27 0.00 0.00 179.45 178.83 2d9d h VAL 15 N -0.76 0.41 0.01 2.00 2.07 -1.09 0.06 116.25 118.95 2d9d h VAL 15 Ca -0.01 -0.01 -0.37 0.00 0.82 0.00 0.00 66.70 67.14 2d9d h VAL 15 Cb 0.65 0.38 -0.06 0.00 -1.52 0.00 0.00 31.29 30.74 2d9d h VAL 15 CO 0.01 0.00 -2.31 0.18 0.02 0.00 0.00 177.57 175.47 2d9d n LEU 16 N -4.21 1.65 -0.36 2.57 4.77 -1.01 -3.49 117.00 116.92 2d9d n LEU 16 Ca 0.26 0.01 0.27 0.00 -0.03 0.00 0.00 56.01 56.52 2d9d n LEU 16 Cb 1.23 -0.31 0.54 0.00 -2.33 0.00 0.00 43.42 42.55 2d9d n LEU 16 CO 0.39 0.71 1.21 0.50 -1.33 0.00 0.00 177.39 178.88 2d9d h LYS 17 N 0.01 0.29 0.04 3.23 1.63 0.19 -1.51 116.57 120.44 2d9d h LYS 17 Ca -0.52 -0.02 -0.28 0.00 -0.85 0.00 0.00 60.65 58.98 2d9d h LYS 17 Cb 2.05 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 33.59 2d9d h LYS 17 CO -0.01 0.19 -1.55 -2.13 -3.45 0.00 0.00 179.45 172.50 2d9d n ARG 18 N -4.72 0.63 -0.50 1.90 3.00 -0.98 -4.15 116.66 111.84 2d9d n ARG 18 Ca 0.30 0.46 0.41 0.00 -0.00 0.00 0.00 57.85 59.03 2d9d n ARG 18 Cb 1.06 -1.73 0.68 0.00 0.00 0.00 0.00 32.46 32.47 2d9d n ARG 18 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.63 177.51 2d9d n MET 19 N -4.11 -0.03 0.12 -0.14 1.56 -0.63 0.72 117.12 114.62 2d9d n MET 19 Ca -0.33 1.17 -0.13 0.00 -0.27 0.00 0.00 57.70 58.14 2d9d n MET 19 Cb 0.81 -2.38 -0.08 0.00 2.15 0.00 0.00 33.22 33.72 2d9d n MET 19 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2d9d h ARG 20 N 0.00 -0.29 -0.65 2.12 3.08 -1.57 -2.73 114.38 114.35 2d9d h ARG 20 Ca 0.86 0.02 0.19 0.00 0.07 0.00 0.00 59.98 61.12 2d9d h ARG 20 Cb 2.92 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 33.01 2d9d h ARG 20 CO -0.36 0.01 0.84 0.93 -1.07 0.00 0.00 179.97 180.33 2d9d h GLU 21 N -0.60 0.00 0.18 0.04 4.39 0.12 0.67 114.58 119.37 2d9d h GLU 21 Ca -0.03 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.43 2d9d h GLU 21 Cb 0.44 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.12 2d9d h GLU 21 CO 0.05 0.00 -1.06 0.82 -1.16 0.00 0.00 179.01 177.66 2d9d h ILE 22 N 0.00 1.42 -0.16 3.13 5.03 -1.34 -2.75 117.51 122.85 2d9d h ILE 22 Ca 0.31 -2.57 -0.06 0.00 -0.12 0.00 0.00 64.86 62.41 2d9d h ILE 22 Cb 1.99 3.11 -0.00 0.00 -3.03 0.00 0.00 36.82 38.89 2d9d h ILE 22 CO -0.00 0.75 -0.15 0.50 -0.68 0.00 0.00 178.15 178.56 2d9d h LYS 23 N -0.16 0.38 -0.77 2.37 3.64 0.38 0.17 116.57 122.58 2d9d h LYS 23 Ca -0.18 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 58.99 2d9d h LYS 23 Cb 1.83 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 33.62 2d9d h LYS 23 CO 0.20 0.76 0.46 -0.97 -2.27 0.00 0.00 179.45 177.62 2d9d h ASN 24 N 0.02 0.92 -0.09 4.20 -0.00 -1.08 0.19 115.58 119.74 2d9d h ASN 24 Ca 0.02 -0.07 -0.13 0.00 -0.00 0.00 0.00 56.30 56.12 2d9d h ASN 24 Cb 0.69 -0.23 0.01 0.00 -0.00 0.00 0.00 38.32 38.78 2d9d h ASN 24 CO 0.04 0.72 -0.47 -0.08 -0.00 0.00 0.00 177.43 177.64 2d9d h GLU 25 N 1.05 0.48 -0.56 6.67 4.57 -1.48 -2.38 114.58 122.93 2d9d h GLU 25 Ca 0.27 -0.39 -0.04 0.00 -1.18 0.00 0.00 59.36 58.02 2d9d h GLU 25 Cb -0.03 0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.62 2d9d h GLU 25 CO -0.05 1.03 0.19 1.25 -1.18 0.00 0.00 179.01 180.24 2d9d h LEU 26 N 0.05 0.76 -0.60 1.64 5.85 -0.48 0.17 115.31 122.72 2d9d h LEU 26 Ca -0.03 -0.11 -0.15 0.00 0.84 0.00 0.00 57.88 58.43 2d9d h LEU 26 Cb 1.12 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 2d9d h LEU 26 CO 0.10 0.71 -0.51 -0.07 -0.34 0.00 0.00 178.44 178.33 2d9d h LEU 27 N 0.81 0.55 -3.89 2.25 3.38 -0.64 -3.20 115.31 114.57 2d9d h LEU 27 Ca 0.19 -0.28 -0.60 0.00 0.09 0.00 0.00 57.88 57.28 2d9d h LEU 27 Cb 0.22 -0.16 -0.38 0.00 0.09 0.00 0.00 40.66 40.43 2d9d h LEU 27 CO -0.01 0.97 -0.23 0.00 0.09 0.00 0.00 178.44 179.26 2d9d n GLN 28 N -3.97 3.29 -4.08 1.13 1.13 -0.90 -5.01 117.38 108.97 2d9d n GLN 28 Ca -0.03 -3.89 -0.36 0.00 -1.94 0.00 0.00 57.00 50.79 2d9d n GLN 28 Cb 0.58 -2.28 -0.08 0.00 0.11 0.00 0.00 30.24 28.57 2d9d n GLN 28 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2d9d s ALA 29 N -3.68 3.62 0.17 -1.58 0.00 0.56 -4.91 121.76 115.95 2d9d s ALA 29 Ca 0.55 -0.71 0.05 0.00 0.00 0.00 0.00 51.96 51.85 2d9d s ALA 29 Cb 0.44 -1.77 0.01 0.00 0.00 0.00 0.00 23.12 21.80 2d9d s ALA 29 CO 0.00 0.59 1.40 1.96 0.00 0.00 0.00 175.76 179.71 2d9d h GLN 30 N 5.13 0.13 -2.41 0.00 1.08 -1.92 -3.38 115.11 113.74 2d9d h GLN 30 Ca -0.53 -0.14 -0.59 0.00 -1.45 0.00 0.00 58.65 55.94 2d9d h GLN 30 Cb 1.21 0.04 -0.40 0.00 -0.05 0.00 0.00 27.48 28.28 2d9d h GLN 30 CO 0.57 0.91 -0.83 0.09 -0.95 0.00 0.00 178.83 178.62 2d9d n ASN 31 N -3.62 1.48 0.00 1.46 3.02 -1.26 -4.92 115.26 111.41 2d9d n ASN 31 Ca -0.03 -2.90 0.08 0.00 -0.03 0.00 0.00 54.58 51.71 2d9d n ASN 31 Cb 0.80 -0.65 0.46 0.00 -0.61 0.00 0.00 39.78 39.78 2d9d n ASN 31 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2d9d n PRO 32 N 1.82 0.47 0.00 3.52 -0.04 -1.26 -2.95 135.00 136.57 2d9d n PRO 32 Ca 0.25 0.01 -0.18 0.00 -0.04 0.00 0.00 63.50 63.54 2d9d n PRO 32 Cb 0.45 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.30 2d9d n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2d9d h SER 33 N 0.00 0.62 0.79 3.54 4.64 -1.96 -2.54 113.55 118.64 2d9d h SER 33 Ca 0.00 -0.73 0.00 0.00 -0.47 0.00 0.00 61.79 60.59 2d9d h SER 33 Cb 0.01 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 61.91 2d9d h SER 33 CO 0.00 1.27 -0.03 -1.84 -0.87 0.00 0.00 176.83 175.36 2d9d n GLU 34 N -4.15 0.19 -0.00 4.77 -0.00 -1.15 -3.44 120.64 116.85 2d9d n GLU 34 Ca -0.10 -0.01 -0.17 0.00 -0.00 0.00 0.00 57.16 56.88 2d9d n GLU 34 Cb 0.70 -1.50 -0.14 0.00 -0.00 0.00 0.00 31.44 30.50 2d9d n GLU 34 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2d9d n LEU 35 N -1.39 1.99 -0.10 -1.84 4.77 -1.20 -3.68 117.00 115.55 2d9d n LEU 35 Ca 0.10 0.29 0.26 0.00 -0.03 0.00 0.00 56.01 56.63 2d9d n LEU 35 Cb 0.30 -0.65 0.65 0.00 -2.33 0.00 0.00 43.42 41.39 2d9d n LEU 35 CO 0.26 0.68 1.24 1.88 -1.33 0.00 0.00 177.39 180.12 2d9d h TYR 36 N 0.05 0.00 0.03 -1.77 0.05 -1.48 1.19 116.97 115.04 2d9d h TYR 36 Ca -0.37 0.00 -0.26 0.00 0.05 0.00 0.00 58.73 58.15 2d9d h TYR 36 Cb 2.03 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 39.74 2d9d h TYR 36 CO 0.05 0.00 -1.42 -0.07 -1.05 0.00 0.00 178.16 175.67 2d9d h LEU 37 N 0.00 0.10 0.33 3.88 -0.00 -1.75 -3.36 115.31 114.50 2d9d h LEU 37 Ca 0.37 -0.61 -0.02 0.00 -0.00 0.00 0.00 57.88 57.63 2d9d h LEU 37 Cb 1.96 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 42.59 2d9d h LEU 37 CO -0.00 1.57 -0.16 0.28 -0.00 0.00 0.00 178.44 180.13 2d9d h SER 38 N -0.76 -0.38 -0.86 -0.43 0.02 -1.06 -2.49 113.55 107.58 2d9d h SER 38 Ca -0.36 0.01 0.36 0.00 -0.84 0.00 0.00 61.79 60.95 2d9d h SER 38 Cb 1.47 0.10 -0.15 0.00 0.14 0.00 0.00 62.40 63.95 2d9d h SER 38 CO -0.14 0.07 0.47 -1.54 -1.14 0.00 0.00 176.83 174.55 2d9d n SER 39 N -5.07 0.29 0.03 3.07 3.41 0.39 -1.13 113.62 114.61 2d9d n SER 39 Ca -0.06 1.40 -0.02 0.00 -0.26 0.00 0.00 58.87 59.93 2d9d n SER 39 Cb 0.18 -0.68 -0.01 0.00 -0.26 0.00 0.00 64.21 63.44 2d9d n SER 39 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2d9d h LYS 40 N 0.00 -0.11 -0.73 4.33 3.64 -1.67 -2.69 116.57 119.33 2d9d h LYS 40 Ca 0.72 0.01 0.18 0.00 -1.27 0.00 0.00 60.65 60.29 2d9d h LYS 40 Cb 1.93 0.03 -0.14 0.00 -0.41 0.00 0.00 32.23 33.64 2d9d h LYS 40 CO -0.64 -0.07 -0.08 2.41 -2.27 0.00 0.00 179.45 178.80 2d9d n THR 41 N -2.97 -0.31 0.25 1.00 -1.04 -0.28 -0.61 114.28 110.32 2d9d n THR 41 Ca -0.01 1.65 -0.10 0.00 -2.04 0.00 0.00 64.05 63.54 2d9d n THR 41 Cb 0.05 -2.35 -0.05 0.00 -1.82 0.00 0.00 70.33 66.16 2d9d n THR 41 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2d9d h GLU 42 N 0.00 -0.62 -0.78 -2.82 4.57 -1.28 -3.26 114.58 110.39 2d9d h GLU 42 Ca 0.40 0.04 0.08 0.00 -1.18 0.00 0.00 59.36 58.71 2d9d h GLU 42 Cb 0.74 0.14 -0.10 0.00 -0.16 0.00 0.00 28.75 29.37 2d9d h GLU 42 CO -0.72 -0.41 -0.41 1.28 -1.18 0.00 0.00 179.01 177.56 2d9d n LEU 43 N -4.04 -0.73 -0.10 1.64 4.77 0.22 -0.97 117.00 117.79 2d9d n LEU 43 Ca -0.08 1.38 -0.03 0.00 -0.03 0.00 0.00 56.01 57.25 2d9d n LEU 43 Cb 0.25 -0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 41.10 2d9d n LEU 43 CO 0.19 -1.15 0.36 0.00 -1.33 0.00 0.00 177.39 175.46 2d9d n GLN 44 N -5.02 -0.10 -0.33 3.23 3.00 -0.64 -0.59 117.38 116.93 2d9d n GLN 44 Ca 0.03 0.86 -0.08 0.00 -0.01 0.00 0.00 57.00 57.80 2d9d n GLN 44 Cb 0.23 -1.27 -0.07 0.00 0.00 0.00 0.00 30.24 29.13 2d9d n GLN 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2d9d n GLY 45 N -1.06 -2.00 0.39 1.08 0.00 -0.14 -0.48 105.19 102.97 2d9d n GLY 45 Ca 0.00 0.93 -0.10 0.00 0.00 0.00 0.00 46.02 46.85 2d9d n GLY 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2d9d n LEU 46 N -4.99 -0.96 -0.30 0.99 4.77 0.24 0.36 117.00 117.10 2d9d n LEU 46 Ca 0.02 1.65 0.07 0.00 -0.03 0.00 0.00 56.01 57.72 2d9d n LEU 46 Cb 0.21 -0.22 0.17 0.00 -2.33 0.00 0.00 43.42 41.25 2d9d n LEU 46 CO -0.12 -1.35 0.75 0.40 -1.33 0.00 0.00 177.39 175.74 2d9d h ILE 47 N 0.00 0.17 -0.98 -0.08 2.04 -0.67 0.30 117.51 118.28 2d9d h ILE 47 Ca 0.16 -0.01 0.34 0.00 1.00 0.00 0.00 64.86 66.35 2d9d h ILE 47 Cb 0.39 0.13 -0.16 0.00 -0.74 0.00 0.00 36.82 36.44 2d9d h ILE 47 CO -0.87 0.01 0.46 1.23 0.00 0.00 0.00 178.15 178.97 2d9d h GLY 48 N 0.03 1.97 0.65 5.37 0.00 0.07 0.61 103.07 111.78 2d9d h GLY 48 Ca 0.46 -0.14 0.07 0.00 0.00 0.00 0.00 47.33 47.72 2d9d h GLY 48 CO -0.83 -0.59 0.48 1.46 0.00 0.00 0.00 176.54 177.06 2d9d h GLN 49 N 0.17 0.84 -0.05 4.80 4.20 -0.37 -2.61 115.11 122.08 2d9d h GLN 49 Ca 0.74 -0.05 0.04 0.00 0.06 0.00 0.00 58.65 59.44 2d9d h GLN 49 Cb 1.76 -0.19 -0.05 0.00 0.30 0.00 0.00 27.48 29.29 2d9d h GLN 49 CO -0.70 0.55 -0.28 -0.07 -0.67 0.00 0.00 178.83 177.66 2d9d h LEU 50 N 0.86 -0.85 -0.82 1.46 3.38 0.17 -2.55 115.31 116.95 2d9d h LEU 50 Ca 0.37 0.12 0.11 0.00 0.09 0.00 0.00 57.88 58.57 2d9d h LEU 50 Cb 0.23 0.36 -0.12 0.00 0.09 0.00 0.00 40.66 41.22 2d9d h LEU 50 CO -0.20 -0.34 -0.37 0.47 0.09 0.00 0.00 178.44 178.09 2d9d n ASP 51 N -5.39 -0.64 -0.11 -0.43 8.00 -0.98 -1.03 116.55 115.97 2d9d n ASP 51 Ca -0.04 1.45 -0.03 0.00 0.71 0.00 0.00 54.79 56.88 2d9d n ASP 51 Cb 0.30 -0.29 -0.03 0.00 -0.02 0.00 0.00 41.12 41.09 2d9d n ASP 51 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2d9d n GLU 52 N -5.15 -0.12 -1.56 -1.24 -0.58 -0.96 -4.45 120.64 106.58 2d9d n GLU 52 Ca 0.06 1.06 -0.59 0.00 -0.42 0.00 0.00 57.16 57.27 2d9d n GLU 52 Cb 0.29 -1.58 -0.08 0.00 -0.57 0.00 0.00 31.44 29.51 2d9d n GLU 52 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2d9d n VAL 53 N -3.56 0.01 -3.86 2.62 0.31 -0.20 -4.94 118.33 108.71 2d9d n VAL 53 Ca 0.01 -0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.07 2d9d n VAL 53 Cb 0.07 -0.23 -0.03 0.00 -0.91 0.00 0.00 33.84 32.74 2d9d n VAL 53 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2d9d s SER 54 N 0.66 6.36 -0.56 4.52 0.15 -1.26 -5.01 113.70 118.56 2d9d s SER 54 Ca 0.93 0.25 -0.26 0.00 0.70 0.00 0.00 55.95 57.56 2d9d s SER 54 Cb -1.26 -1.94 -0.04 0.00 -1.71 0.00 0.00 66.02 61.06 2d9d s SER 54 CO 0.60 0.03 2.10 -0.76 1.20 0.00 0.00 173.24 176.40 2d9d s LEU 55 N -3.24 3.34 0.00 3.45 1.43 -1.26 -4.88 118.68 117.52 2d9d s LEU 55 Ca 0.36 0.67 -0.21 0.00 -1.03 0.00 0.00 54.13 53.92 2d9d s LEU 55 Cb -0.11 -2.53 0.32 0.00 0.03 0.00 0.00 46.19 43.90 2d9d s LEU 55 CO 0.29 -2.59 0.99 -0.62 0.23 0.00 0.00 176.35 174.65 2d9d n GLU 56 N 9.11 -3.56 -0.68 1.70 -0.58 -1.26 -4.88 120.64 120.48 2d9d n GLU 56 Ca 0.27 -1.61 -0.11 0.00 -0.42 0.00 0.00 57.16 55.30 2d9d n GLU 56 Cb 0.53 -1.65 0.04 0.00 -0.57 0.00 0.00 31.44 29.79 2d9d n GLU 56 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2d9d n LYS 57 N -5.00 1.54 -3.81 3.49 4.76 -1.26 -4.76 118.16 113.12 2d9d n LYS 57 Ca 0.14 -1.11 -0.12 0.00 -2.87 0.00 0.00 58.31 54.35 2d9d n LYS 57 Cb 0.57 -1.44 -0.10 0.00 -1.84 0.00 0.00 35.03 32.22 2d9d n LYS 57 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2d9d s ASN 58 N 0.54 -0.15 0.00 4.39 -0.87 -1.26 -5.02 114.94 112.57 2d9d s ASN 58 Ca 0.22 0.18 0.14 0.00 -1.57 0.00 0.00 52.86 51.82 2d9d s ASN 58 Cb 0.17 0.36 0.83 0.00 -0.02 0.00 0.00 41.25 42.60 2d9d s ASN 58 CO 0.01 -0.25 1.25 -0.81 -2.57 0.00 0.00 177.10 174.73 2d9d n PRO 59 N 2.12 0.49 -0.05 -0.60 -0.04 -1.26 -2.87 135.00 132.79 2d9d n PRO 59 Ca -0.18 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.28 2d9d n PRO 59 Cb 0.57 -1.45 -0.00 0.00 -0.04 0.00 0.00 33.50 32.58 2d9d n PRO 59 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2d9d h ILE 61 N -0.92 1.34 -0.57 0.00 5.03 -1.93 -1.27 117.51 119.18 2d9d h ILE 61 Ca 0.00 -1.71 -0.00 0.00 -0.12 0.00 0.00 64.86 63.02 2d9d h ILE 61 Cb 0.01 1.78 -0.03 0.00 -3.03 0.00 0.00 36.82 35.56 2d9d h ILE 61 CO 0.00 0.51 0.34 -0.09 -0.68 0.00 0.00 178.15 178.23 2d9d h ARG 62 N 0.25 0.77 0.00 2.37 2.43 -1.70 -2.23 114.38 116.27 2d9d h ARG 62 Ca 0.01 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2d9d h ARG 62 Cb 0.95 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 2d9d h ARG 62 CO 0.08 0.55 -0.11 1.49 -1.51 0.00 0.00 179.97 180.47 2d9d h GLU 63 N 0.79 0.00 -0.76 0.20 4.57 -1.49 -3.31 114.58 114.57 2d9d h GLU 63 Ca 0.21 0.00 0.15 0.00 -1.18 0.00 0.00 59.36 58.54 2d9d h GLU 63 Cb -0.02 0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 28.42 2d9d h GLU 63 CO -0.04 0.00 -0.18 0.00 -1.18 0.00 0.00 179.01 177.61 2d9d n ALA 64 N -2.56 0.19 0.02 2.92 0.00 -0.49 0.85 120.51 121.44 2d9d n ALA 64 Ca -0.02 0.84 -0.10 0.00 0.00 0.00 0.00 53.44 54.16 2d9d n ALA 64 Cb 0.06 -0.51 -0.03 0.00 0.00 0.00 0.00 19.45 18.96 2d9d n ALA 64 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2d9d h ARG 65 N 0.00 -0.31 0.00 0.00 2.43 -1.59 -0.64 114.38 114.28 2d9d h ARG 65 Ca 0.37 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.56 2d9d h ARG 65 Cb 0.57 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 2d9d h ARG 65 CO -0.78 -0.20 0.00 -2.13 -1.51 0.00 0.00 179.97 175.34 2d9d n ARG 66 N -5.36 0.00 -0.24 0.20 0.63 0.25 -2.64 116.66 109.50 2d9d n ARG 66 Ca -0.03 0.50 0.24 0.00 -0.92 0.00 0.00 57.85 57.64 2d9d n ARG 66 Cb 0.28 -1.37 0.45 0.00 0.45 0.00 0.00 32.46 32.27 2d9d n ARG 66 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 2d9d n ARG 67 N -1.99 -0.05 0.26 -0.14 1.85 0.07 0.11 116.66 116.78 2d9d n ARG 67 Ca 0.00 1.05 -0.16 0.00 -1.00 0.00 0.00 57.85 57.74 2d9d n ARG 67 Cb 0.00 -1.89 -0.08 0.00 -1.05 0.00 0.00 32.46 29.44 2d9d n ARG 67 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2d9d h ALA 68 N 1.52 -0.61 -0.79 2.89 0.00 -1.06 -0.19 119.26 121.02 2d9d h ALA 68 Ca 0.65 -0.14 0.15 0.00 0.00 0.00 0.00 54.91 55.57 2d9d h ALA 68 Cb 1.71 0.23 -0.15 0.00 0.00 0.00 0.00 17.79 19.59 2d9d h ALA 68 CO -0.59 -0.83 -0.25 0.28 0.00 0.00 0.00 179.25 177.86 2d9d h VAL 69 N -0.64 0.16 -0.00 0.00 2.07 0.11 0.56 116.25 118.51 2d9d h VAL 69 Ca -0.06 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 2d9d h VAL 69 Cb 0.48 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2d9d h VAL 69 CO 0.10 0.00 0.00 0.40 0.02 0.00 0.00 177.57 178.09 2d9d h ILE 70 N -0.04 1.23 -0.49 4.57 2.04 -1.39 -0.34 117.51 123.09 2d9d h ILE 70 Ca 0.35 -0.68 0.09 0.00 1.00 0.00 0.00 64.86 65.62 2d9d h ILE 70 Cb 0.59 1.69 -0.10 0.00 -0.74 0.00 0.00 36.82 38.25 2d9d h ILE 70 CO -0.82 0.18 -0.32 -0.33 0.00 0.00 0.00 178.15 176.85 2d9d h GLU 71 N -0.28 -0.20 -0.50 2.37 4.39 0.54 0.43 114.58 121.33 2d9d h GLU 71 Ca 0.00 0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.61 2d9d h GLU 71 Cb 0.29 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 2d9d h GLU 71 CO 0.00 -0.13 -0.11 0.28 -1.16 0.00 0.00 179.01 177.89 2d9d h VAL 72 N -0.20 1.26 -0.04 3.13 2.07 -0.96 -2.73 116.25 118.78 2d9d h VAL 72 Ca 0.20 -1.23 -0.03 0.00 0.82 0.00 0.00 66.70 66.46 2d9d h VAL 72 Cb 0.54 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 2d9d h VAL 72 CO -0.60 0.43 -0.11 1.56 0.02 0.00 0.00 177.57 178.86 2d9d h GLN 73 N 0.83 0.05 -0.57 1.57 4.20 0.63 -2.27 115.11 119.56 2d9d h GLN 73 Ca 0.13 -0.01 0.17 0.00 0.06 0.00 0.00 58.65 59.00 2d9d h GLN 73 Cb 0.64 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.39 2d9d h GLN 73 CO 0.04 0.17 0.63 1.15 -0.67 0.00 0.00 178.83 180.15 2d9d h THR 74 N 0.05 0.28 0.01 -0.54 2.02 0.11 -0.30 112.91 114.55 2d9d h THR 74 Ca 0.01 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.07 2d9d h THR 74 Cb 0.23 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 2d9d h THR 74 CO 0.01 0.00 -0.65 -0.07 0.37 0.00 0.00 175.52 175.18 2d9d h LEU 75 N 0.00 0.05 -1.52 2.58 3.38 -1.57 -2.91 115.31 115.32 2d9d h LEU 75 Ca 0.27 -0.79 0.24 0.00 0.09 0.00 0.00 57.88 57.69 2d9d h LEU 75 Cb 1.53 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 42.20 2d9d h LEU 75 CO -0.00 1.26 0.65 0.40 0.09 0.00 0.00 178.44 180.84 2d9d h ILE 76 N -0.92 0.59 0.18 1.22 2.04 -1.16 0.73 117.51 120.20 2d9d h ILE 76 Ca -0.17 -0.12 -0.27 0.00 1.00 0.00 0.00 64.86 65.30 2d9d h ILE 76 Cb 1.21 0.21 0.03 0.00 -0.74 0.00 0.00 36.82 37.53 2d9d h ILE 76 CO -0.08 0.06 -1.17 0.74 0.00 0.00 0.00 178.15 177.71 2d9d h THR 77 N 0.35 1.37 -0.63 -0.27 2.02 -1.49 -2.91 112.91 111.35 2d9d h THR 77 Ca 0.52 -2.58 -0.00 0.00 0.77 0.00 0.00 66.41 65.12 2d9d h THR 77 Cb 1.41 3.03 -0.03 0.00 -1.74 0.00 0.00 68.15 70.82 2d9d h THR 77 CO -0.20 0.76 0.39 0.22 0.37 0.00 0.00 175.52 177.05 2d9d h TYR 78 N -0.03 0.82 -0.18 3.16 3.20 -0.87 -1.95 116.97 121.12 2d9d h TYR 78 Ca -0.20 0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.54 2d9d h TYR 78 Cb 1.91 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 39.91 2d9d h TYR 78 CO 0.15 0.55 -0.40 0.82 -1.64 0.00 0.00 178.16 177.64 2d9d h ILE 79 N 0.87 1.33 -1.00 1.81 2.04 -1.02 -2.68 117.51 118.85 2d9d h ILE 79 Ca 0.23 -1.64 0.05 0.00 1.00 0.00 0.00 64.86 64.49 2d9d h ILE 79 Cb -0.04 1.91 -0.06 0.00 -0.74 0.00 0.00 36.82 37.89 2d9d h ILE 79 CO -0.04 0.51 0.66 -0.78 0.00 0.00 0.00 178.15 178.49 2d9d h ASP 80 N 0.26 1.08 0.37 1.72 3.58 -1.25 0.11 116.42 122.30 2d9d h ASP 80 Ca 0.00 -0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 2d9d h ASP 80 Cb 1.01 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.82 2d9d h ASP 80 CO 0.09 0.72 -0.18 -0.07 -2.88 0.00 0.00 179.24 176.92 2d9d h LEU 81 N 1.24 -0.42 -0.47 2.28 3.38 -1.35 -1.95 115.31 118.02 2d9d h LEU 81 Ca 0.41 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.30 2d9d h LEU 81 Cb 0.05 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 2d9d h LEU 81 CO -0.14 -0.10 0.22 0.11 0.09 0.00 0.00 178.44 178.62 2d9d h LYS 82 N -0.78 0.42 0.24 1.13 1.79 -1.27 -2.88 116.57 115.23 2d9d h LYS 82 Ca -0.05 -0.03 0.01 0.00 -2.18 0.00 0.00 60.65 58.40 2d9d h LYS 82 Cb 0.52 -0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 31.04 2d9d h LYS 82 CO 0.08 0.28 -0.37 0.93 -1.08 0.00 0.00 179.45 179.29 2d9d h GLU 83 N 0.43 -0.66 -4.06 3.15 4.39 -0.78 -3.46 114.58 113.59 2d9d h GLU 83 Ca 0.21 0.04 -0.40 0.00 0.34 0.00 0.00 59.36 59.55 2d9d h GLU 83 Cb 0.14 0.15 0.02 0.00 -0.10 0.00 0.00 28.75 28.96 2d9d h GLU 83 CO -0.16 -0.44 -0.56 0.43 -1.16 0.00 0.00 179.01 177.12 2d9d n SER 84 N -5.46 -5.75 -3.63 1.42 7.64 -0.74 -4.98 113.62 102.13 2d9d n SER 84 Ca -0.08 -0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.62 2d9d n SER 84 Cb 0.37 -4.71 0.00 0.00 -1.01 0.00 0.00 64.21 58.86 2d9d n SER 84 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d9d n GLY 85 N -1.30 -2.36 0.24 0.23 0.00 -1.26 -4.88 105.19 95.86 2d9d n GLY 85 Ca -0.15 -1.33 0.12 0.00 0.00 0.00 0.00 46.02 44.66 2d9d n GLY 85 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d9d h PRO 86 N 0.00 0.00 -0.99 1.61 0.13 -2.00 -3.26 132.00 127.49 2d9d h PRO 86 Ca 0.00 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 65.33 2d9d h PRO 86 Cb 0.00 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 30.94 2d9d h PRO 86 CO 0.00 0.17 -0.26 1.03 -0.23 0.00 0.00 178.00 178.72 2d9d h SER 87 N 0.00 -0.96 -3.47 1.44 0.87 -1.99 -3.38 113.55 106.06 2d9d h SER 87 Ca -0.00 0.30 -0.51 0.00 -1.23 0.00 0.00 61.79 60.35 2d9d h SER 87 Cb 0.62 0.62 -0.01 0.00 -0.44 0.00 0.00 62.40 63.19 2d9d h SER 87 CO 0.02 -0.32 -0.02 -0.94 -0.53 0.00 0.00 176.83 175.04 2d9d s SER 88 N -5.27 6.53 0.00 6.23 1.04 -1.23 -5.22 113.70 115.79 2d9d s SER 88 Ca -0.15 0.95 0.00 0.00 0.48 0.00 0.00 55.95 57.23 2d9d s SER 88 Cb 0.26 -2.24 0.00 0.00 0.10 0.00 0.00 66.02 64.14 2d9d s SER 88 CO 0.77 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 175.35