#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 -4.08 -0.10 1.61 2.88 -1.26 -4.91 113.62 107.77 2d9d n SER 2 Ca 0.00 -0.68 -0.17 0.00 -1.33 0.00 0.00 58.87 56.69 2d9d n SER 2 Cb 0.00 -4.51 -0.08 0.00 -0.75 0.00 0.00 64.21 58.88 2d9d n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2d9d n SER 3 N -2.99 1.98 -4.29 -3.46 2.88 -1.26 -5.03 113.62 101.45 2d9d n SER 3 Ca -0.10 0.07 -0.23 0.00 -1.33 0.00 0.00 58.87 57.28 2d9d n SER 3 Cb 0.59 -0.43 -0.12 0.00 -0.75 0.00 0.00 64.21 63.50 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 -5.57 1.26 -0.30 0.46 0.00 -1.26 -5.13 107.32 96.78 2d9d s GLY 4 Ca -0.26 -1.30 -0.12 0.00 0.00 0.00 0.00 44.72 43.04 2d9d s GLY 4 CO 0.38 -1.32 0.71 -1.35 0.00 0.00 0.00 173.10 171.53 2d9d s SER 5 N -2.11 -1.02 0.10 1.64 1.04 -1.26 -5.01 113.70 107.08 2d9d s SER 5 Ca 0.08 1.44 0.00 0.00 0.48 0.00 0.00 55.95 57.95 2d9d s SER 5 Cb -0.09 2.05 -0.04 0.00 0.10 0.00 0.00 66.02 68.05 2d9d s SER 5 CO 0.05 -0.20 -0.03 -0.94 0.98 0.00 0.00 173.24 173.10 2d9d s SER 6 N 2.61 0.78 0.00 7.02 1.04 -1.26 -5.11 113.70 118.78 2d9d s SER 6 Ca -0.06 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.31 2d9d s SER 6 Cb -0.10 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.19 2d9d s SER 6 CO -0.19 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.07 2d9d n GLY 7 N -0.02 2.08 0.11 7.32 0.00 -1.26 -4.92 105.19 108.51 2d9d n GLY 7 Ca -0.11 -0.16 -0.08 0.00 0.00 0.00 0.00 46.02 45.67 2d9d n GLY 7 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2d9d h SER 8 N 0.00 -0.06 0.82 1.61 4.64 -1.99 0.17 113.55 118.74 2d9d h SER 8 Ca 0.00 0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 61.33 2d9d h SER 8 Cb 0.00 0.08 0.01 0.00 -0.31 0.00 0.00 62.40 62.18 2d9d h SER 8 CO 0.00 -0.00 -0.39 0.40 -0.87 0.00 0.00 176.83 175.96 2d9d h ILE 9 N 0.09 0.00 -0.72 0.95 1.08 -1.99 -2.24 117.51 114.67 2d9d h ILE 9 Ca 0.11 -0.01 0.15 0.00 -0.39 0.00 0.00 64.86 64.72 2d9d h ILE 9 Cb 0.13 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 33.77 2d9d h ILE 9 CO -0.17 0.00 0.20 -0.07 -0.69 0.00 0.00 178.15 177.42 2d9d h LEU 10 N -1.11 0.06 -0.26 1.44 3.38 -1.91 0.12 115.31 117.04 2d9d h LEU 10 Ca -0.11 0.14 0.06 0.00 0.09 0.00 0.00 57.88 58.06 2d9d h LEU 10 Cb 0.85 0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.70 2d9d h LEU 10 CO 0.19 -0.01 -0.23 0.11 0.09 0.00 0.00 178.44 178.59 2d9d h LYS 11 N 0.30 -0.22 -0.26 1.13 1.57 -0.56 -0.93 116.57 117.61 2d9d h LYS 11 Ca 0.40 0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 59.12 2d9d h LYS 11 Cb 0.67 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 2d9d h LYS 11 CO -0.48 -0.14 -0.19 0.82 -0.57 0.00 0.00 179.45 178.88 2d9d h ILE 12 N -0.22 1.25 0.41 1.86 2.04 -0.62 -3.11 117.51 119.11 2d9d h ILE 12 Ca 0.14 -1.14 -0.01 0.00 1.00 0.00 0.00 64.86 64.86 2d9d h ILE 12 Cb 0.44 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 2d9d h ILE 12 CO -0.39 0.36 -0.41 -0.33 0.00 0.00 0.00 178.15 177.39 2d9d h GLU 13 N 0.42 -0.81 -0.53 2.37 5.08 0.48 -2.74 114.58 118.85 2d9d h GLU 13 Ca 0.07 0.06 0.11 0.00 -1.00 0.00 0.00 59.36 58.59 2d9d h GLU 13 Cb 0.58 0.18 -0.10 0.00 0.50 0.00 0.00 28.75 29.92 2d9d h GLU 13 CO 0.04 -0.54 -0.09 0.87 -1.00 0.00 0.00 179.01 178.30 2d9d h LYS 14 N -0.84 0.04 -0.96 2.33 6.56 -1.27 0.21 116.57 122.64 2d9d h LYS 14 Ca -0.04 -0.00 0.21 0.00 -1.06 0.00 0.00 60.65 59.76 2d9d h LYS 14 Cb 0.74 -0.01 -0.18 0.00 -0.57 0.00 0.00 32.23 32.22 2d9d h LYS 14 CO -0.06 0.02 -0.18 0.28 -2.06 0.00 0.00 179.45 177.45 2d9d h VAL 15 N 0.04 0.05 0.01 0.50 2.07 -1.42 -0.90 116.25 116.60 2d9d h VAL 15 Ca 0.26 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.78 2d9d h VAL 15 Cb 0.40 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 2d9d h VAL 15 CO -0.51 0.00 -0.00 -0.07 0.02 0.00 0.00 177.57 177.01 2d9d h LEU 16 N 0.00 -0.01 -0.75 2.57 3.38 -1.12 -2.96 115.31 116.42 2d9d h LEU 16 Ca 0.49 -0.71 0.09 0.00 0.09 0.00 0.00 57.88 57.83 2d9d h LEU 16 Cb 0.81 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.46 2d9d h LEU 16 CO -0.96 0.83 -0.39 1.17 0.09 0.00 0.00 178.44 179.18 2d9d n LYS 17 N -4.67 -0.27 -0.12 1.13 4.81 0.62 0.14 118.16 119.80 2d9d n LYS 17 Ca -0.07 1.14 -0.08 0.00 -0.87 0.00 0.00 58.31 58.43 2d9d n LYS 17 Cb 0.35 -1.69 0.08 0.00 0.02 0.00 0.00 35.03 33.79 2d9d n LYS 17 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 2d9d h ARG 18 N 0.00 0.86 0.36 1.64 9.65 -1.35 -2.91 114.38 122.63 2d9d h ARG 18 Ca 0.17 -0.31 -0.00 0.00 -1.10 0.00 0.00 59.98 58.74 2d9d h ARG 18 Cb 0.36 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.86 2d9d h ARG 18 CO -0.72 0.95 -0.39 1.98 2.80 0.00 0.00 179.97 184.58 2d9d h MET 19 N 0.77 -0.76 -0.78 0.20 4.05 0.14 0.14 114.93 118.69 2d9d h MET 19 Ca 0.12 0.05 0.13 0.00 -0.28 0.00 0.00 59.70 59.72 2d9d h MET 19 Cb 0.66 0.17 -0.09 0.00 -0.80 0.00 0.00 31.60 31.54 2d9d h MET 19 CO 0.05 -0.50 0.36 0.00 0.23 0.00 0.00 176.91 177.05 2d9d h ARG 20 N -0.79 0.54 0.78 0.39 3.08 -0.51 0.14 114.38 118.01 2d9d h ARG 20 Ca -0.03 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 2d9d h ARG 20 Cb 0.71 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 30.65 2d9d h ARG 20 CO -0.08 0.36 -0.37 0.93 -1.07 0.00 0.00 179.97 179.73 2d9d h GLU 21 N 0.55 -1.01 -0.00 0.04 5.08 -1.24 -0.59 114.58 117.42 2d9d h GLU 21 Ca 0.41 0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.84 2d9d h GLU 21 Cb 0.56 0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 2d9d h GLU 21 CO -0.35 -0.65 0.07 0.82 -1.00 0.00 0.00 179.01 177.90 2d9d h ILE 22 N -1.15 0.00 0.22 3.13 2.04 -0.35 0.34 117.51 121.74 2d9d h ILE 22 Ca -0.11 0.00 -0.31 0.00 1.00 0.00 0.00 64.86 65.44 2d9d h ILE 22 Cb 0.82 0.93 0.03 0.00 -0.74 0.00 0.00 36.82 37.85 2d9d h ILE 22 CO 0.18 0.00 -1.41 0.50 0.00 0.00 0.00 178.15 177.42 2d9d h LYS 23 N 0.00 0.47 0.00 2.37 3.11 -0.28 -2.91 116.57 119.34 2d9d h LYS 23 Ca 0.00 -0.81 -0.11 0.00 -2.81 0.00 0.00 60.65 56.92 2d9d h LYS 23 Cb 0.15 0.30 -0.02 0.00 -1.00 0.00 0.00 32.23 31.66 2d9d h LYS 23 CO -0.00 1.39 -0.55 -0.97 -2.81 0.00 0.00 179.45 176.51 2d9d h ASN 24 N 0.03 0.00 0.82 4.20 -1.24 0.13 -2.86 115.58 116.65 2d9d h ASN 24 Ca -0.25 0.00 -0.17 0.00 0.71 0.00 0.00 56.30 56.58 2d9d h ASN 24 Cb 2.06 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 41.08 2d9d h ASN 24 CO 0.23 0.55 -0.82 1.05 -1.29 0.00 0.00 177.43 177.15 2d9d h GLU 25 N 0.00 0.00 0.02 6.67 4.11 -1.08 -2.56 114.58 121.75 2d9d h GLU 25 Ca -0.01 -0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.21 2d9d h GLU 25 Cb 1.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 2d9d h GLU 25 CO 0.07 0.82 -0.96 1.25 0.07 0.00 0.00 179.01 180.27 2d9d h LEU 26 N 0.00 0.19 0.13 3.06 5.85 -1.47 -1.49 115.31 121.58 2d9d h LEU 26 Ca -0.01 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 2d9d h LEU 26 Cb 1.46 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.43 2d9d h LEU 26 CO 0.11 1.04 -0.06 -0.07 -0.34 0.00 0.00 178.44 179.12 2d9d h LEU 27 N 0.06 -0.14 -0.34 2.25 3.38 -1.51 -3.33 115.31 115.67 2d9d h LEU 27 Ca -0.05 -0.42 -0.05 0.00 0.09 0.00 0.00 57.88 57.46 2d9d h LEU 27 Cb 1.64 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.41 2d9d h LEU 27 CO 0.14 0.43 0.04 1.56 0.09 0.00 0.00 178.44 180.70 2d9d h GLN 28 N -0.82 0.58 -4.41 1.13 4.20 -1.58 -3.45 115.11 110.77 2d9d h GLN 28 Ca -0.02 -0.17 -0.48 0.00 0.06 0.00 0.00 58.65 58.04 2d9d h GLN 28 Cb 0.55 -0.06 0.09 0.00 0.30 0.00 0.00 27.48 28.36 2d9d h GLN 28 CO 0.03 0.68 -0.47 0.00 -0.67 0.00 0.00 178.83 178.39 2d9d n ALA 29 N -2.36 -2.43 -0.08 3.87 0.00 -0.56 -4.91 120.51 114.05 2d9d n ALA 29 Ca -0.02 0.26 -0.12 0.00 0.00 0.00 0.00 53.44 53.57 2d9d n ALA 29 Cb 0.24 -1.16 -0.08 0.00 0.00 0.00 0.00 19.45 18.45 2d9d n ALA 29 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2d9d h GLN 30 N 0.60 0.00 -2.55 0.00 1.08 -1.89 -3.41 115.11 108.94 2d9d h GLN 30 Ca -0.22 0.00 -0.70 0.00 -1.45 0.00 0.00 58.65 56.28 2d9d h GLN 30 Cb 1.06 0.00 -0.36 0.00 -0.05 0.00 0.00 27.48 28.13 2d9d h GLN 30 CO 0.40 0.62 0.03 -1.71 -0.95 0.00 0.00 178.83 177.22 2d9d n ASN 31 N -4.60 4.96 0.00 1.46 2.85 -1.26 -4.85 115.26 113.83 2d9d n ASN 31 Ca -0.13 -3.42 0.06 0.00 -0.11 0.00 0.00 54.58 50.98 2d9d n ASN 31 Cb 0.40 -0.95 0.37 0.00 1.24 0.00 0.00 39.78 40.84 2d9d n ASN 31 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2d9d n PRO 32 N 1.10 0.49 -0.34 1.20 -0.04 -1.26 -3.91 135.00 132.24 2d9d n PRO 32 Ca 0.28 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.82 2d9d n PRO 32 Cb 0.37 -1.40 0.18 0.00 -0.04 0.00 0.00 33.50 32.61 2d9d n PRO 32 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2d9d h SER 33 N 0.00 -0.75 0.61 3.54 0.02 -1.98 0.44 113.55 115.44 2d9d h SER 33 Ca 0.00 0.28 -0.28 0.00 -0.84 0.00 0.00 61.79 60.95 2d9d h SER 33 Cb 0.00 0.55 0.01 0.00 0.14 0.00 0.00 62.40 63.10 2d9d h SER 33 CO 0.00 -0.32 -1.25 1.05 -1.14 0.00 0.00 176.83 175.17 2d9d h GLU 34 N 0.01 0.29 -0.15 3.45 9.09 -2.03 -3.25 114.58 121.99 2d9d h GLU 34 Ca 0.50 -0.48 0.04 0.00 0.05 0.00 0.00 59.36 59.46 2d9d h GLU 34 Cb 0.85 0.18 -0.01 0.00 -1.65 0.00 0.00 28.75 28.12 2d9d h GLU 34 CO -0.95 1.23 0.13 -0.07 0.05 0.00 0.00 179.01 179.39 2d9d h LEU 35 N 0.08 0.00 -0.69 3.06 3.38 -0.53 -1.83 115.31 118.78 2d9d h LEU 35 Ca -0.14 0.00 0.14 0.00 0.09 0.00 0.00 57.88 57.97 2d9d h LEU 35 Cb 1.97 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 42.63 2d9d h LEU 35 CO 0.21 0.00 0.19 1.88 0.09 0.00 0.00 178.44 180.80 2d9d h TYR 36 N 0.00 0.30 0.00 1.13 0.05 -0.67 0.13 116.97 117.92 2d9d h TYR 36 Ca 0.07 0.04 -0.06 0.00 0.05 0.00 0.00 58.73 58.83 2d9d h TYR 36 Cb 0.32 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.02 2d9d h TYR 36 CO 0.00 -0.03 -0.61 -0.07 -1.05 0.00 0.00 178.16 176.41 2d9d h LEU 37 N 0.31 0.00 -0.75 3.88 -0.00 -1.61 -3.20 115.31 113.94 2d9d h LEU 37 Ca 0.37 -0.17 0.12 0.00 -0.00 0.00 0.00 57.88 58.21 2d9d h LEU 37 Cb 0.59 0.00 -0.13 0.00 -0.00 0.00 0.00 40.66 41.12 2d9d h LEU 37 CO -0.44 0.91 -0.37 0.28 -0.00 0.00 0.00 178.44 178.82 2d9d h SER 38 N -1.00 -1.33 0.78 -0.43 0.02 -1.35 0.20 113.55 110.44 2d9d h SER 38 Ca -0.09 0.26 -0.04 0.00 -0.84 0.00 0.00 61.79 61.09 2d9d h SER 38 Cb 0.66 0.67 0.00 0.00 0.14 0.00 0.00 62.40 63.87 2d9d h SER 38 CO -0.05 -0.30 -0.43 0.28 -1.14 0.00 0.00 176.83 175.18 2d9d h SER 39 N -0.11 -1.07 -0.57 3.07 0.02 -0.93 -3.03 113.55 110.94 2d9d h SER 39 Ca 0.27 0.05 0.06 0.00 -0.84 0.00 0.00 61.79 61.32 2d9d h SER 39 Cb 0.57 0.30 -0.08 0.00 0.14 0.00 0.00 62.40 63.32 2d9d h SER 39 CO -0.80 -0.70 -0.45 0.50 -1.14 0.00 0.00 176.83 174.24 2d9d h LYS 40 N -1.13 -0.14 -0.89 3.45 3.64 -1.31 0.61 116.57 120.82 2d9d h LYS 40 Ca -0.10 0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.42 2d9d h LYS 40 Cb 0.89 0.03 -0.14 0.00 -0.41 0.00 0.00 32.23 32.60 2d9d h LYS 40 CO 0.14 -0.09 -0.34 2.41 -2.27 0.00 0.00 179.45 179.29 2d9d n THR 41 N -4.76 -0.46 0.45 1.00 -1.04 -0.03 -0.99 114.28 108.45 2d9d n THR 41 Ca -0.00 2.07 -0.18 0.00 -2.04 0.00 0.00 64.05 63.89 2d9d n THR 41 Cb 0.23 -2.74 -0.09 0.00 -1.82 0.00 0.00 70.33 65.91 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 -1.11 -0.82 -2.82 4.57 -0.96 -3.10 114.58 110.34 2d9d h GLU 42 Ca 0.31 0.08 0.11 0.00 -1.18 0.00 0.00 59.36 58.68 2d9d h GLU 42 Cb 0.53 0.25 -0.12 0.00 -0.16 0.00 0.00 28.75 29.25 2d9d h GLU 42 CO -0.88 -0.74 -0.36 1.28 -1.18 0.00 0.00 179.01 177.14 2d9d n LEU 43 N -5.55 -0.61 -0.33 1.64 4.77 0.04 0.20 117.00 117.15 2d9d n LEU 43 Ca -0.15 1.43 0.13 0.00 -0.03 0.00 0.00 56.01 57.40 2d9d n LEU 43 Cb 0.46 -0.29 0.32 0.00 -2.33 0.00 0.00 43.42 41.58 2d9d n LEU 43 CO 0.36 -1.26 1.14 1.56 -1.33 0.00 0.00 177.39 177.86 2d9d h GLN 44 N 0.00 0.59 0.67 3.23 4.20 -1.19 -2.07 115.11 120.55 2d9d h GLN 44 Ca 0.25 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.89 2d9d h GLN 44 Cb 0.45 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.10 2d9d h GLN 44 CO -0.80 0.39 -0.37 0.78 -0.67 0.00 0.00 178.83 178.16 2d9d h GLY 45 N 0.61 -1.03 -0.78 3.46 0.00 0.23 -2.96 103.07 102.60 2d9d h GLY 45 Ca 0.58 0.40 0.18 0.00 0.00 0.00 0.00 47.33 48.49 2d9d h GLY 45 CO -0.44 -0.37 -0.21 1.41 0.00 0.00 0.00 176.54 176.93 2d9d h LEU 46 N -0.96 -0.81 -0.87 3.11 3.38 -0.94 0.58 115.31 118.80 2d9d h LEU 46 Ca -0.09 0.27 0.20 0.00 0.09 0.00 0.00 57.88 58.35 2d9d h LEU 46 Cb 0.76 0.55 -0.12 0.00 0.09 0.00 0.00 40.66 41.94 2d9d h LEU 46 CO 0.12 -0.29 0.39 0.40 0.09 0.00 0.00 178.44 179.14 2d9d h ILE 47 N 0.00 0.54 -1.40 1.22 2.04 -1.35 0.15 117.51 118.70 2d9d h ILE 47 Ca 0.44 -0.15 0.41 0.00 1.00 0.00 0.00 64.86 66.55 2d9d h ILE 47 Cb 0.68 0.06 -0.07 0.00 -0.74 0.00 0.00 36.82 36.75 2d9d h ILE 47 CO -0.91 0.08 1.00 1.23 0.00 0.00 0.00 178.15 179.54 2d9d h GLY 48 N 0.44 0.18 1.31 5.37 0.00 0.24 0.73 103.07 111.34 2d9d h GLY 48 Ca 0.52 -0.02 -0.09 0.00 0.00 0.00 0.00 47.33 47.74 2d9d h GLY 48 CO -0.49 -0.04 -0.05 1.46 0.00 0.00 0.00 176.54 177.42 2d9d h GLN 49 N 0.03 0.83 0.18 4.80 4.20 -0.77 -3.13 115.11 121.25 2d9d h GLN 49 Ca 0.69 -0.26 -0.00 0.00 0.06 0.00 0.00 58.65 59.14 2d9d h GLN 49 Cb 2.65 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 30.34 2d9d h GLN 49 CO -0.06 0.87 -0.14 -0.07 -0.67 0.00 0.00 178.83 178.76 2d9d h LEU 50 N 0.76 -0.36 -0.92 1.46 3.38 0.37 -2.43 115.31 117.57 2d9d h LEU 50 Ca 0.14 0.03 0.39 0.00 0.09 0.00 0.00 57.88 58.52 2d9d h LEU 50 Cb 0.54 0.12 -0.16 0.00 0.09 0.00 0.00 40.66 41.24 2d9d h LEU 50 CO 0.03 -0.22 0.50 0.47 0.09 0.00 0.00 178.44 179.32 2d9d n ASP 51 N -5.26 0.32 0.02 -0.43 9.92 -1.18 0.11 116.55 120.04 2d9d n ASP 51 Ca -0.08 1.51 -0.11 0.00 -0.53 0.00 0.00 54.79 55.58 2d9d n ASP 51 Cb 0.18 -0.74 -0.05 0.00 -0.64 0.00 0.00 41.12 39.87 2d9d n ASP 51 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2d9d h GLU 52 N 0.00 -0.05 -6.75 -1.24 5.08 -1.53 -3.42 114.58 106.68 2d9d h GLU 52 Ca 0.78 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 58.62 2d9d h GLU 52 Cb 2.07 0.01 0.04 0.00 0.50 0.00 0.00 28.75 31.38 2d9d h GLU 52 CO -0.69 -0.03 0.65 0.08 -1.00 0.00 0.00 179.01 178.01 2d9d s VAL 53 N -6.19 3.04 0.34 3.13 1.01 0.29 -5.02 120.40 117.00 2d9d s VAL 53 Ca -0.13 0.91 0.07 0.00 0.00 0.00 0.00 61.98 62.83 2d9d s VAL 53 Cb 0.08 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 2d9d s VAL 53 CO 0.67 0.16 0.27 -0.94 0.00 0.00 0.00 175.10 175.27 2d9d s SER 54 N 0.04 1.80 -0.38 3.32 1.04 -1.26 -4.96 113.70 113.30 2d9d s SER 54 Ca 0.54 -1.77 -0.32 0.00 0.48 0.00 0.00 55.95 54.88 2d9d s SER 54 Cb -0.38 0.56 -0.10 0.00 0.10 0.00 0.00 66.02 66.21 2d9d s SER 54 CO 0.43 -1.06 2.26 0.18 0.98 0.00 0.00 173.24 176.02 2d9d n LEU 55 N -0.65 2.28 -2.01 2.42 7.99 -1.26 -4.80 117.00 120.96 2d9d n LEU 55 Ca 0.07 0.23 -0.06 0.00 -0.01 0.00 0.00 56.01 56.24 2d9d n LEU 55 Cb 0.62 -1.35 0.30 0.00 -0.11 0.00 0.00 43.42 42.89 2d9d n LEU 55 CO 0.32 -0.83 1.04 -0.62 -1.51 0.00 0.00 177.39 175.79 2d9d n GLU 56 N 8.45 3.72 -1.99 3.23 1.02 -1.26 -4.87 120.64 128.94 2d9d n GLU 56 Ca 0.40 -3.02 -0.07 0.00 -0.02 0.00 0.00 57.16 54.44 2d9d n GLU 56 Cb 0.30 -2.21 -0.01 0.00 -0.02 0.00 0.00 31.44 29.50 2d9d n GLU 56 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2d9d n LYS 57 N -0.12 -0.56 -3.92 3.49 3.00 -1.26 -5.03 118.16 113.75 2d9d n LYS 57 Ca 0.41 0.41 -0.13 0.00 -0.00 0.00 0.00 58.31 59.00 2d9d n LYS 57 Cb 1.38 -4.29 -0.14 0.00 0.00 0.00 0.00 35.03 31.98 2d9d n LYS 57 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 2d9d s ASN 58 N -2.72 0.12 0.00 3.14 0.01 -1.26 -5.02 114.94 109.21 2d9d s ASN 58 Ca 0.00 -0.02 0.14 0.00 -0.71 0.00 0.00 52.86 52.28 2d9d s ASN 58 Cb 0.00 -0.01 0.66 0.00 0.41 0.00 0.00 41.25 42.30 2d9d s ASN 58 CO 0.00 0.01 1.43 -0.81 -1.51 0.00 0.00 177.10 176.22 2d9d n PRO 59 N 3.07 0.08 0.08 -0.60 -0.04 -1.26 -2.70 135.00 133.62 2d9d n PRO 59 Ca -0.12 0.22 -0.22 0.00 -0.04 0.00 0.00 63.50 63.33 2d9d n PRO 59 Cb 0.60 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.41 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 0.11 1.37 0.00 0.00 1.08 -1.89 0.13 117.51 118.31 2d9d h ILE 61 Ca -0.32 -1.86 -0.05 0.00 -0.39 0.00 0.00 64.86 62.24 2d9d h ILE 61 Cb 2.10 1.92 -0.01 0.00 -3.07 0.00 0.00 36.82 37.76 2d9d h ILE 61 CO 0.19 0.55 -0.25 0.08 -0.69 0.00 0.00 178.15 178.02 2d9d h ARG 62 N 0.17 0.00 0.00 2.37 0.11 -1.67 -2.96 114.38 112.40 2d9d h ARG 62 Ca 0.00 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.02 2d9d h ARG 62 Cb 1.02 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.09 2d9d h ARG 62 CO 0.08 0.25 -0.87 -1.91 0.10 0.00 0.00 179.97 177.63 2d9d n GLU 63 N -3.37 0.50 -0.33 0.08 2.13 -1.09 -3.63 120.64 114.93 2d9d n GLU 63 Ca 0.00 0.43 0.24 0.00 0.66 0.00 0.00 57.16 58.49 2d9d n GLU 63 Cb 0.47 -1.62 0.47 0.00 0.27 0.00 0.00 31.44 31.03 2d9d n GLU 63 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2d9d h ALA 64 N -0.94 1.90 0.07 4.31 0.00 -0.86 0.33 119.26 124.07 2d9d h ALA 64 Ca -0.09 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2d9d h ALA 64 Cb 0.81 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2d9d h ALA 64 CO -0.05 -0.61 -0.03 -0.09 0.00 0.00 0.00 179.25 178.47 2d9d h ARG 65 N 0.27 -0.09 -0.52 0.00 2.43 -1.72 -2.28 114.38 112.47 2d9d h ARG 65 Ca 0.73 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 60.00 2d9d h ARG 65 Cb 1.68 0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 31.14 2d9d h ARG 65 CO -0.64 -0.06 -0.35 -0.09 -1.51 0.00 0.00 179.97 177.33 2d9d h ARG 66 N -0.14 -0.20 -0.53 0.20 2.43 -1.49 -0.25 114.38 114.41 2d9d h ARG 66 Ca -0.01 0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.28 2d9d h ARG 66 Cb 0.07 0.05 -0.10 0.00 -0.42 0.00 0.00 29.97 29.56 2d9d h ARG 66 CO 0.02 -0.13 -0.19 -0.09 -1.51 0.00 0.00 179.97 178.06 2d9d h ARG 67 N -0.21 -0.06 0.21 0.20 2.43 -0.48 -1.84 114.38 114.63 2d9d h ARG 67 Ca 0.20 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.38 2d9d h ARG 67 Cb 0.55 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 2d9d h ARG 67 CO -0.63 -0.04 -0.24 0.00 -1.51 0.00 0.00 179.97 177.55 2d9d h ALA 68 N 1.36 -0.47 -0.98 2.80 0.00 -0.51 -0.63 119.26 120.83 2d9d h ALA 68 Ca 0.25 -0.07 0.28 0.00 0.00 0.00 0.00 54.91 55.38 2d9d h ALA 68 Cb 0.45 0.35 -0.18 0.00 0.00 0.00 0.00 17.79 18.40 2d9d h ALA 68 CO -0.57 -0.80 0.08 0.28 0.00 0.00 0.00 179.25 178.24 2d9d h VAL 69 N -0.49 0.03 0.23 0.00 2.07 -0.28 0.23 116.25 118.04 2d9d h VAL 69 Ca 0.00 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 2d9d h VAL 69 Cb 0.47 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2d9d h VAL 69 CO -0.07 0.00 -0.11 0.40 0.02 0.00 0.00 177.57 177.81 2d9d h ILE 70 N 0.01 0.58 -1.26 4.57 2.04 -1.08 0.81 117.51 123.19 2d9d h ILE 70 Ca 0.62 -0.97 0.37 0.00 1.00 0.00 0.00 64.86 65.88 2d9d h ILE 70 Cb 1.33 0.97 -0.05 0.00 -0.74 0.00 0.00 36.82 38.33 2d9d h ILE 70 CO -0.90 0.15 0.93 -0.33 0.00 0.00 0.00 178.15 178.00 2d9d h GLU 71 N -0.94 0.00 0.00 2.37 4.39 0.47 0.35 114.58 121.22 2d9d h GLU 71 Ca -0.03 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.55 2d9d h GLU 71 Cb 0.48 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 2d9d h GLU 71 CO 0.05 0.00 -0.82 0.28 -1.16 0.00 0.00 179.01 177.36 2d9d h VAL 72 N 0.00 0.60 -0.59 3.13 2.07 -0.62 -3.37 116.25 117.48 2d9d h VAL 72 Ca 0.60 -1.70 0.17 0.00 0.82 0.00 0.00 66.70 66.59 2d9d h VAL 72 Cb 2.46 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 33.58 2d9d h VAL 72 CO -0.01 0.20 0.44 1.56 0.02 0.00 0.00 177.57 179.79 2d9d h GLN 73 N -1.00 0.00 -0.84 1.57 1.08 0.23 -1.51 115.11 114.64 2d9d h GLN 73 Ca -0.18 0.00 0.20 0.00 -1.45 0.00 0.00 58.65 57.22 2d9d h GLN 73 Cb 0.92 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 28.22 2d9d h GLN 73 CO -0.11 0.00 0.27 1.15 -0.95 0.00 0.00 178.83 179.19 2d9d h THR 74 N 0.00 0.44 0.38 -0.54 2.02 -0.50 -1.75 112.91 112.96 2d9d h THR 74 Ca 0.28 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.34 2d9d h THR 74 Cb 1.16 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 2d9d h THR 74 CO -0.00 0.05 -0.18 -0.07 0.37 0.00 0.00 175.52 175.69 2d9d h LEU 75 N 0.30 -0.43 -1.00 2.58 3.38 -1.49 -2.05 115.31 116.60 2d9d h LEU 75 Ca 0.50 -0.14 0.37 0.00 0.09 0.00 0.00 57.88 58.70 2d9d h LEU 75 Cb 0.94 0.11 -0.18 0.00 0.09 0.00 0.00 40.66 41.62 2d9d h LEU 75 CO -0.56 -0.05 0.38 0.40 0.09 0.00 0.00 178.44 178.70 2d9d h ILE 76 N -0.87 0.02 -0.08 1.22 2.04 -1.40 0.60 117.51 119.03 2d9d h ILE 76 Ca -0.05 -0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.68 2d9d h ILE 76 Cb 0.54 0.00 0.01 0.00 -0.74 0.00 0.00 36.82 36.63 2d9d h ILE 76 CO 0.08 0.00 -0.45 0.74 0.00 0.00 0.00 178.15 178.53 2d9d h THR 77 N 0.01 1.39 -0.91 -0.27 2.02 -1.33 -2.58 112.91 111.25 2d9d h THR 77 Ca 0.77 -1.82 0.11 0.00 0.77 0.00 0.00 66.41 66.24 2d9d h THR 77 Cb 1.90 2.28 -0.08 0.00 -1.74 0.00 0.00 68.15 70.51 2d9d h THR 77 CO -0.81 0.54 0.54 0.22 0.37 0.00 0.00 175.52 176.37 2d9d h TYR 78 N -0.00 0.98 -0.19 3.16 3.20 0.85 -1.92 116.97 123.05 2d9d h TYR 78 Ca -0.03 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 2d9d h TYR 78 Cb 1.10 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 39.06 2d9d h TYR 78 CO 0.12 0.39 -0.16 0.82 -1.64 0.00 0.00 178.16 177.69 2d9d h ILE 79 N 0.88 1.33 -0.85 1.81 2.04 -1.00 -2.57 117.51 119.14 2d9d h ILE 79 Ca 0.45 -1.30 0.16 0.00 1.00 0.00 0.00 64.86 65.17 2d9d h ILE 79 Cb 0.44 1.76 -0.10 0.00 -0.74 0.00 0.00 36.82 38.18 2d9d h ILE 79 CO -0.26 0.39 0.42 -0.78 0.00 0.00 0.00 178.15 177.92 2d9d h ASP 80 N 0.11 0.47 0.36 1.72 3.58 -0.95 0.24 116.42 121.95 2d9d h ASP 80 Ca 0.03 0.11 -0.02 0.00 0.42 0.00 0.00 57.03 57.57 2d9d h ASP 80 Cb 0.69 0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.78 2d9d h ASP 80 CO 0.04 0.17 -0.17 -0.07 -2.88 0.00 0.00 179.24 176.33 2d9d h LEU 81 N 0.57 -0.41 -1.07 2.28 3.38 -1.33 -3.15 115.31 115.58 2d9d h LEU 81 Ca 0.48 -0.15 0.14 0.00 0.09 0.00 0.00 57.88 58.44 2d9d h LEU 81 Cb 0.73 0.11 -0.09 0.00 0.09 0.00 0.00 40.66 41.50 2d9d h LEU 81 CO -0.40 -0.03 0.62 0.11 0.09 0.00 0.00 178.44 178.83 2d9d h LYS 82 N -0.84 0.86 -1.04 1.13 1.79 -1.00 -0.76 116.57 116.71 2d9d h LYS 82 Ca -0.05 -0.05 0.30 0.00 -2.18 0.00 0.00 60.65 58.66 2d9d h LYS 82 Cb 0.53 -0.19 -0.13 0.00 -1.58 0.00 0.00 32.23 30.86 2d9d h LYS 82 CO 0.08 0.57 0.63 0.93 -1.08 0.00 0.00 179.45 180.57 2d9d h GLU 83 N 0.88 0.39 -5.98 3.15 5.08 -0.50 -3.37 114.58 114.24 2d9d h GLU 83 Ca 0.51 -0.02 -0.54 0.00 -1.00 0.00 0.00 59.36 58.30 2d9d h GLU 83 Cb 0.63 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2d9d h GLU 83 CO -0.28 0.26 1.44 -1.12 -1.00 0.00 0.00 179.01 178.31 2d9d s SER 84 N -5.04 5.30 0.00 1.42 0.01 -0.29 -4.74 113.70 110.35 2d9d s SER 84 Ca -0.10 1.24 0.00 0.00 1.31 0.00 0.00 55.95 58.40 2d9d s SER 84 Cb 0.28 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 64.00 2d9d s SER 84 CO 0.80 -2.19 0.00 0.61 0.41 0.00 0.00 173.24 172.87 2d9d n GLY 85 N 5.71 1.26 0.00 3.44 0.00 -1.26 -4.92 105.19 109.42 2d9d n GLY 85 Ca 0.28 -0.15 0.07 0.00 0.00 0.00 0.00 46.02 46.22 2d9d n GLY 85 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d9d n PRO 86 N 0.00 0.00 -2.53 1.61 -0.04 -1.26 -4.58 135.00 128.21 2d9d n PRO 86 Ca 0.00 0.26 -0.41 0.00 -0.04 0.00 0.00 63.50 63.31 2d9d n PRO 86 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 2d9d n PRO 86 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2d9d s SER 87 N -3.01 6.13 0.35 3.54 1.04 -1.26 -4.98 113.70 115.50 2d9d s SER 87 Ca 0.07 -0.39 -0.26 0.00 0.48 0.00 0.00 55.95 55.85 2d9d s SER 87 Cb 0.09 -2.56 -0.13 0.00 0.10 0.00 0.00 66.02 63.53 2d9d s SER 87 CO 0.26 -1.85 0.97 -1.54 0.98 0.00 0.00 173.24 172.06 2d9d n SER 88 N 9.51 1.09 0.00 7.02 3.41 -1.26 -5.03 113.62 128.36 2d9d n SER 88 Ca 0.04 1.10 0.00 0.00 -0.26 0.00 0.00 58.87 59.75 2d9d n SER 88 Cb 0.49 -1.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.15 2d9d n SER 88 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49