#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4m h SER 2 N 0.00 0.13 -6.09 1.61 4.64 -2.13 -3.48 113.55 108.24 1x4m h SER 2 Ca 0.00 -0.71 -0.41 0.00 -0.47 0.00 0.00 61.79 60.20 1x4m h SER 2 Cb 0.00 -0.04 0.06 0.00 -0.31 0.00 0.00 62.40 62.11 1x4m h SER 2 CO 0.00 0.82 -0.85 -1.54 -0.87 0.00 0.00 176.83 174.39 1x4m n SER 3 N -4.63 -1.86 -3.10 4.97 3.41 -1.26 -4.94 113.62 106.21 1x4m n SER 3 Ca -0.09 -0.85 -0.21 0.00 -0.26 0.00 0.00 58.87 57.46 1x4m n SER 3 Cb 0.41 -4.00 -0.03 0.00 -0.26 0.00 0.00 64.21 60.33 1x4m n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x4m n GLY 4 N -1.59 4.31 3.46 5.00 0.00 -1.26 -5.05 105.19 110.06 1x4m n GLY 4 Ca -0.27 -2.08 -0.43 0.00 0.00 0.00 0.00 46.02 43.25 1x4m n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4m s SER 5 N -2.79 6.21 0.43 1.61 1.04 -1.26 -5.02 113.70 113.93 1x4m s SER 5 Ca 0.43 -1.07 0.07 0.00 0.48 0.00 0.00 55.95 55.87 1x4m s SER 5 Cb 0.32 -2.42 -0.02 0.00 0.10 0.00 0.00 66.02 64.01 1x4m s SER 5 CO -0.10 -1.43 0.37 -0.44 0.98 0.00 0.00 173.24 172.62 1x4m s SER 6 N 3.70 4.94 0.00 7.02 0.01 -1.26 -5.00 113.70 123.12 1x4m s SER 6 Ca 0.24 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 56.66 1x4m s SER 6 Cb -0.15 -0.44 0.00 0.00 0.21 0.00 0.00 66.02 65.63 1x4m s SER 6 CO 0.08 -0.70 0.00 0.61 0.41 0.00 0.00 173.24 173.64 1x4m n GLY 7 N -1.55 0.72 3.61 3.44 0.00 -1.26 -5.17 105.19 104.97 1x4m n GLY 7 Ca 0.03 -0.66 -0.09 0.00 0.00 0.00 0.00 46.02 45.30 1x4m n GLY 7 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1x4m s HIS 8 N -0.28 -0.35 0.00 1.61 0.00 -1.26 -5.07 115.29 109.93 1x4m s HIS 8 Ca 0.00 0.71 0.00 0.00 -3.00 0.00 0.00 55.06 52.77 1x4m s HIS 8 Cb 0.00 0.43 0.00 0.00 -4.00 0.00 0.00 32.58 29.01 1x4m s HIS 8 CO 0.00 -0.26 0.00 0.41 -1.00 0.00 0.00 174.74 173.89 1x4m n GLY 9 N 1.22 0.28 3.00 -1.38 0.00 -1.26 -5.12 105.19 101.94 1x4m n GLY 9 Ca -0.10 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 1x4m n GLY 9 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x4m s ASP 10 N 0.00 4.65 0.00 1.61 1.01 -1.26 -5.10 116.67 117.58 1x4m s ASP 10 Ca 0.00 -2.62 0.00 0.00 0.71 0.00 0.00 52.55 50.64 1x4m s ASP 10 Cb 0.00 -1.67 0.00 0.00 1.01 0.00 0.00 42.92 42.26 1x4m s ASP 10 CO 0.00 -0.32 0.00 0.61 0.21 0.00 0.00 175.17 175.67 1x4m n GLY 11 N 3.67 -2.32 3.77 0.21 0.00 -1.26 -4.96 105.19 104.29 1x4m n GLY 11 Ca 0.04 -1.33 -0.38 0.00 0.00 0.00 0.00 46.02 44.35 1x4m n GLY 11 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4m s PRO 12 N 0.00 3.99 0.18 1.61 0.04 -1.26 -5.04 135.00 134.52 1x4m s PRO 12 Ca 0.00 1.87 -0.22 0.00 0.04 0.00 0.00 61.00 62.69 1x4m s PRO 12 Cb 0.00 -2.64 0.06 0.00 0.04 0.00 0.00 34.50 31.96 1x4m s PRO 12 CO 0.00 -0.38 0.61 0.20 0.04 0.00 0.00 177.00 177.46 1x4m s GLY 13 N -1.12 -0.48 -0.11 0.56 0.00 -1.26 -5.17 107.32 99.73 1x4m s GLY 13 Ca 0.58 0.29 -0.08 0.00 0.00 0.00 0.00 44.72 45.51 1x4m s GLY 13 CO 0.39 0.07 0.28 -1.31 0.00 0.00 0.00 173.10 172.54 1x4m s ASN 14 N -2.79 -0.31 0.19 1.64 -0.87 -1.26 -5.01 114.94 106.54 1x4m s ASN 14 Ca 0.03 0.59 -0.21 0.00 -1.57 0.00 0.00 52.86 51.70 1x4m s ASN 14 Cb -0.02 0.55 -0.08 0.00 -0.02 0.00 0.00 41.25 41.68 1x4m s ASN 14 CO -0.09 -0.13 0.72 0.00 -2.57 0.00 0.00 177.10 175.03 1x4m s ALA 15 N 0.60 3.44 -0.01 0.60 0.00 -0.62 -4.84 121.76 120.93 1x4m s ALA 15 Ca -0.04 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.11 1x4m s ALA 15 Cb -0.05 -2.82 0.01 0.00 0.00 0.00 0.00 23.12 20.26 1x4m s ALA 15 CO -0.04 0.33 -0.00 0.54 0.00 0.00 0.00 175.76 176.59 1x4m s VAL 16 N -1.41 0.11 -0.04 0.00 0.11 -1.26 0.00 120.40 117.92 1x4m s VAL 16 Ca 0.40 0.02 0.02 0.00 -2.93 0.00 0.00 61.98 59.49 1x4m s VAL 16 Cb -0.18 -0.15 0.01 0.00 -1.53 0.00 0.00 36.38 34.53 1x4m s VAL 16 CO 0.22 0.07 -0.06 -1.10 -3.33 0.00 0.00 175.10 170.90 1x4m s GLN 17 N 0.43 0.88 -0.10 1.54 -1.52 -0.07 -4.96 119.66 115.85 1x4m s GLN 17 Ca -0.04 -0.18 -0.03 0.00 -1.95 0.00 0.00 55.36 53.16 1x4m s GLN 17 Cb -0.06 -0.84 -0.03 0.00 -0.22 0.00 0.00 33.01 31.85 1x4m s GLN 17 CO -0.01 -0.00 0.03 -1.21 -0.25 0.00 0.00 175.29 173.84 1x4m s GLU 18 N 0.60 3.15 0.05 2.91 2.02 -1.26 -0.63 118.70 125.55 1x4m s GLU 18 Ca -0.09 -0.37 0.01 0.00 0.02 0.00 0.00 54.97 54.55 1x4m s GLU 18 Cb -0.12 -2.89 -0.03 0.00 0.10 0.00 0.00 34.13 31.19 1x4m s GLU 18 CO 0.01 0.66 -0.06 0.96 0.02 0.00 0.00 175.26 176.85 1x4m s ILE 19 N -0.76 0.44 -0.22 -1.63 -0.00 -0.32 -4.95 121.20 113.76 1x4m s ILE 19 Ca 0.12 -1.37 -0.20 0.00 -0.00 0.00 0.00 60.65 59.20 1x4m s ILE 19 Cb -0.12 -0.94 -0.02 0.00 -0.00 0.00 0.00 42.46 41.38 1x4m s ILE 19 CO 0.02 -0.62 0.60 -0.04 -0.00 0.00 0.00 174.94 174.90 1x4m s MET 20 N -2.47 4.17 -0.07 0.37 -1.94 -1.26 0.28 119.30 118.38 1x4m s MET 20 Ca -0.03 0.54 0.05 0.00 -1.71 0.00 0.00 55.69 54.54 1x4m s MET 20 Cb -0.03 -3.60 -0.01 0.00 2.01 0.00 0.00 34.83 33.20 1x4m s MET 20 CO -0.03 -0.28 -0.23 0.42 -0.01 0.00 0.00 175.02 174.90 1x4m s ILE 21 N 2.06 1.89 -0.39 2.53 -1.09 0.06 -4.91 121.20 121.34 1x4m s ILE 21 Ca 0.27 -0.96 -0.28 0.00 -2.23 0.00 0.00 60.65 57.45 1x4m s ILE 21 Cb -0.16 -1.62 -0.01 0.00 -1.58 0.00 0.00 42.46 39.09 1x4m s ILE 21 CO 0.10 0.53 1.73 -2.16 -1.23 0.00 0.00 174.94 173.90 1x4m s PRO 22 N 0.04 3.27 0.38 2.79 0.04 -1.26 0.69 135.00 140.95 1x4m s PRO 22 Ca -0.08 1.19 0.32 0.00 0.04 0.00 0.00 61.00 62.47 1x4m s PRO 22 Cb -0.14 -4.19 1.23 0.00 0.04 0.00 0.00 34.50 31.43 1x4m s PRO 22 CO 0.05 -1.94 1.17 0.00 0.04 0.00 0.00 177.00 176.31 1x4m n ALA 23 N 10.39 1.26 0.05 8.56 0.00 -1.26 0.16 120.51 139.67 1x4m n ALA 23 Ca 0.21 0.56 -0.12 0.00 0.00 0.00 0.00 53.44 54.09 1x4m n ALA 23 Cb 0.48 -0.83 -0.06 0.00 0.00 0.00 0.00 19.45 19.03 1x4m n ALA 23 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1x4m h SER 24 N 0.00 -0.11 1.38 0.00 0.02 -1.96 -2.51 113.55 110.37 1x4m h SER 24 Ca 0.69 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.65 1x4m h SER 24 Cb 2.54 0.04 0.00 0.00 0.14 0.00 0.00 62.40 65.13 1x4m h SER 24 CO -0.15 -0.06 -0.23 0.11 -1.14 0.00 0.00 176.83 175.36 1x4m h LYS 25 N -0.08 0.00 -0.85 3.45 1.79 0.11 -3.31 116.57 117.69 1x4m h LYS 25 Ca 0.01 0.00 0.11 0.00 -2.18 0.00 0.00 60.65 58.59 1x4m h LYS 25 Cb 0.09 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.68 1x4m h LYS 25 CO -0.03 0.00 0.55 0.00 -1.08 0.00 0.00 179.45 178.89 1x4m h ALA 26 N 2.39 1.75 0.00 3.86 0.00 -0.59 0.25 119.26 126.93 1x4m h ALA 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1x4m h ALA 26 Cb 0.80 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1x4m h ALA 26 CO 0.00 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.72 1x4m n GLY 27 N -1.43 -0.95 0.10 0.00 0.00 -1.21 -1.32 105.19 100.38 1x4m n GLY 27 Ca 0.15 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 1x4m n GLY 27 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x4m n LEU 28 N -1.12 0.55 -0.01 0.99 4.32 0.84 -3.55 117.00 119.02 1x4m n LEU 28 Ca 0.17 -0.02 -0.05 0.00 -0.02 0.00 0.00 56.01 56.09 1x4m n LEU 28 Cb 0.14 0.22 -0.12 0.00 -1.62 0.00 0.00 43.42 42.03 1x4m n LEU 28 CO 0.17 0.54 -0.54 0.55 -1.22 0.00 0.00 177.39 176.89 1x4m n VAL 29 N -2.79 1.34 -0.08 4.08 3.14 -0.86 -4.46 118.33 118.70 1x4m n VAL 29 Ca -0.33 -0.75 -0.12 0.00 -2.96 0.00 0.00 64.34 60.19 1x4m n VAL 29 Cb 1.08 -0.78 -0.08 0.00 -1.06 0.00 0.00 33.84 33.00 1x4m n VAL 29 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 1x4m h ILE 30 N 0.00 0.88 0.00 1.55 2.04 -1.43 0.34 117.51 120.89 1x4m h ILE 30 Ca -0.27 -1.79 0.00 0.00 1.00 0.00 0.00 64.86 63.80 1x4m h ILE 30 Cb 1.84 1.79 0.00 0.00 -0.74 0.00 0.00 36.82 39.71 1x4m h ILE 30 CO 0.05 0.30 0.00 0.61 0.00 0.00 0.00 178.15 179.11 1x4m n GLY 31 N 1.60 -0.05 3.57 5.37 0.00 -1.23 -1.47 105.19 112.97 1x4m n GLY 31 Ca -0.13 -1.93 -0.18 0.00 0.00 0.00 0.00 46.02 43.78 1x4m n GLY 31 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x4m s LYS 32 N -1.13 1.68 0.00 1.61 2.20 -1.26 -2.69 119.74 120.15 1x4m s LYS 32 Ca 0.00 -0.35 0.00 0.00 -0.36 0.00 0.00 55.97 55.26 1x4m s LYS 32 Cb 0.00 -5.00 0.00 0.00 -1.51 0.00 0.00 37.83 31.32 1x4m s LYS 32 CO 0.00 -4.73 0.00 0.41 -0.36 0.00 0.00 175.35 170.67 1x4m n GLY 33 N 6.32 2.69 0.00 5.54 0.00 -1.26 -4.49 105.19 113.99 1x4m n GLY 33 Ca 0.43 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1x4m n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x4m n GLY 34 N 0.00 0.60 0.13 -0.02 0.00 -1.09 -5.07 105.19 99.74 1x4m n GLY 34 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1x4m n GLY 34 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1x4m h GLU 35 N 0.00 0.26 0.37 1.61 4.39 -1.48 -3.30 114.58 116.44 1x4m h GLU 35 Ca 0.00 -0.45 -0.02 0.00 0.34 0.00 0.00 59.36 59.23 1x4m h GLU 35 Cb 0.00 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1x4m h GLU 35 CO 0.00 1.15 -0.18 1.15 -1.16 0.00 0.00 179.01 179.97 1x4m h THR 36 N 0.07 0.00 -0.74 1.13 2.02 -1.48 -3.10 112.91 110.82 1x4m h THR 36 Ca -0.37 -0.25 0.21 0.00 0.77 0.00 0.00 66.41 66.78 1x4m h THR 36 Cb 2.05 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 68.43 1x4m h THR 36 CO 0.12 0.00 0.72 -0.29 0.37 0.00 0.00 175.52 176.43 1x4m h ILE 37 N -0.75 0.30 -0.58 3.11 2.10 -0.24 0.47 117.51 121.92 1x4m h ILE 37 Ca -0.05 0.00 -0.07 0.00 1.08 0.00 0.00 64.86 65.82 1x4m h ILE 37 Cb 0.38 0.45 -0.02 0.00 -1.09 0.00 0.00 36.82 36.54 1x4m h ILE 37 CO 0.08 0.00 0.08 0.50 -1.08 0.00 0.00 178.15 177.73 1x4m h LYS 38 N 0.00 0.94 0.00 2.19 3.64 -1.62 -2.57 116.57 119.15 1x4m h LYS 38 Ca 0.35 -0.24 -0.11 0.00 -1.27 0.00 0.00 60.65 59.38 1x4m h LYS 38 Cb 1.78 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 33.46 1x4m h LYS 38 CO -0.00 0.88 -0.53 1.96 -2.27 0.00 0.00 179.45 179.48 1x4m h GLN 39 N 0.88 0.00 0.00 1.90 4.20 -0.04 -3.08 115.11 118.98 1x4m h GLN 39 Ca 0.18 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.86 1x4m h GLN 39 Cb 0.41 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 1x4m h GLN 39 CO 0.01 0.53 -0.11 -0.07 -0.67 0.00 0.00 178.83 178.52 1x4m h LEU 40 N 0.00 0.00 -1.00 1.46 3.38 -1.11 -2.48 115.31 115.56 1x4m h LEU 40 Ca -0.01 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1x4m h LEU 40 Cb 1.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 1x4m h LEU 40 CO 0.07 0.11 -0.27 1.56 0.09 0.00 0.00 178.44 180.00 1x4m h GLN 41 N 0.00 0.40 0.21 1.13 4.20 -1.42 -2.80 115.11 116.82 1x4m h GLN 41 Ca -0.00 -0.15 -0.31 0.00 0.06 0.00 0.00 58.65 58.25 1x4m h GLN 41 Cb 0.45 -0.02 0.03 0.00 0.30 0.00 0.00 27.48 28.23 1x4m h GLN 41 CO 0.01 0.64 -1.40 0.93 -0.67 0.00 0.00 178.83 178.34 1x4m h GLU 42 N 0.35 0.44 -0.26 1.46 4.39 -1.61 0.92 114.58 120.27 1x4m h GLU 42 Ca 0.05 -0.75 0.04 0.00 0.34 0.00 0.00 59.36 59.04 1x4m h GLU 42 Cb 0.66 0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 29.58 1x4m h GLU 42 CO 0.05 1.36 0.18 0.00 -1.16 0.00 0.00 179.01 179.43 1x4m h ARG 43 N 0.12 0.18 0.00 2.33 3.08 -1.39 -2.78 114.38 115.92 1x4m h ARG 43 Ca -0.21 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.81 1x4m h ARG 43 Cb 2.10 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 32.10 1x4m h ARG 43 CO 0.25 0.12 -1.53 0.00 -1.07 0.00 0.00 179.97 177.74 1x4m n ALA 44 N -2.54 2.37 -0.78 0.04 0.00 -1.07 -5.00 120.51 113.53 1x4m n ALA 44 Ca 0.02 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1x4m n ALA 44 Cb 0.21 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.30 1x4m n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x4m n GLY 45 N 1.89 0.59 3.55 0.00 0.00 0.30 -4.86 105.19 106.67 1x4m n GLY 45 Ca -0.03 -0.19 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 1x4m n GLY 45 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x4m s VAL 46 N -2.00 2.42 -0.08 1.61 -7.23 0.09 -4.87 120.40 110.35 1x4m s VAL 46 Ca 0.00 -2.18 -0.17 0.00 -1.81 0.00 0.00 61.98 57.82 1x4m s VAL 46 Cb 0.00 -2.62 -0.05 0.00 0.56 0.00 0.00 36.38 34.27 1x4m s VAL 46 CO 0.00 -0.25 0.43 -0.75 -0.31 0.00 0.00 175.10 174.23 1x4m s LYS 47 N -3.62 4.18 -0.18 4.82 2.20 0.10 -4.10 119.74 123.15 1x4m s LYS 47 Ca 0.32 0.40 -0.03 0.00 -0.36 0.00 0.00 55.97 56.31 1x4m s LYS 47 Cb 0.00 -3.35 -0.01 0.00 -1.51 0.00 0.00 37.83 32.95 1x4m s LYS 47 CO 0.17 0.37 -0.07 -1.64 -0.36 0.00 0.00 175.35 173.82 1x4m s MET 48 N -0.04 3.43 -0.17 4.03 -1.94 -1.26 -0.76 119.30 122.58 1x4m s MET 48 Ca 0.24 -0.63 -0.03 0.00 -1.71 0.00 0.00 55.69 53.56 1x4m s MET 48 Cb -0.16 -2.88 0.06 0.00 2.01 0.00 0.00 34.83 33.86 1x4m s MET 48 CO 0.11 -0.00 0.04 0.08 -0.01 0.00 0.00 175.02 175.24 1x4m s VAL 49 N 0.95 0.37 0.00 -6.03 1.01 0.16 -4.96 120.40 111.91 1x4m s VAL 49 Ca -0.01 -0.39 -0.30 0.00 0.00 0.00 0.00 61.98 61.28 1x4m s VAL 49 Cb -0.15 -0.87 -0.05 0.00 0.00 0.00 0.00 36.38 35.31 1x4m s VAL 49 CO 0.00 -0.17 1.25 -0.04 0.00 0.00 0.00 175.10 176.14 1x4m s MET 50 N 1.93 4.36 0.08 2.72 -1.94 -1.26 0.06 119.30 125.26 1x4m s MET 50 Ca 0.00 1.78 -0.07 0.00 -1.71 0.00 0.00 55.69 55.70 1x4m s MET 50 Cb -0.16 -3.47 -0.05 0.00 2.01 0.00 0.00 34.83 33.15 1x4m s MET 50 CO -0.08 -0.41 0.35 0.42 -0.01 0.00 0.00 175.02 175.30 1x4m s ILE 51 N 1.80 5.19 0.12 2.53 -1.09 0.25 -4.89 121.20 125.12 1x4m s ILE 51 Ca 0.59 0.19 0.00 0.00 -2.23 0.00 0.00 60.65 59.20 1x4m s ILE 51 Cb -0.28 -3.62 0.00 0.00 -1.58 0.00 0.00 42.46 36.98 1x4m s ILE 51 CO 0.26 0.21 0.00 0.00 -1.23 0.00 0.00 174.94 174.17 1x4m n GLN 52 N 0.62 0.00 -4.33 2.79 1.13 -1.26 -3.80 117.38 112.54 1x4m n GLN 52 Ca -0.07 0.00 -0.34 0.00 -1.94 0.00 0.00 57.00 54.65 1x4m n GLN 52 Cb 0.52 -0.31 -0.08 0.00 0.11 0.00 0.00 30.24 30.49 1x4m n GLN 52 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1x4m n ASP 53 N -3.29 -0.37 -2.87 1.08 5.68 -1.26 -2.77 116.55 112.75 1x4m n ASP 53 Ca 0.00 -1.21 -0.18 0.00 -0.50 0.00 0.00 54.79 52.90 1x4m n ASP 53 Cb 0.09 -1.88 0.02 0.00 -1.14 0.00 0.00 41.12 38.21 1x4m n ASP 53 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1x4m n GLY 54 N -1.98 0.09 3.56 6.12 0.00 -1.26 -4.69 105.19 107.03 1x4m n GLY 54 Ca -0.17 0.53 -0.31 0.00 0.00 0.00 0.00 46.02 46.08 1x4m n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4m s PRO 55 N -1.46 2.58 0.27 1.61 0.04 -1.12 -4.96 135.00 131.96 1x4m s PRO 55 Ca 0.18 0.02 0.09 0.00 0.04 0.00 0.00 61.00 61.33 1x4m s PRO 55 Cb -0.02 -4.83 -0.04 0.00 0.04 0.00 0.00 34.50 29.65 1x4m s PRO 55 CO 0.40 -3.15 0.06 -0.65 0.04 0.00 0.00 177.00 173.69 1x4m s GLN 56 N 7.02 2.47 -1.47 4.56 -0.21 -1.26 -4.65 119.66 126.12 1x4m s GLN 56 Ca 0.69 -1.33 -0.05 0.00 0.02 0.00 0.00 55.36 54.70 1x4m s GLN 56 Cb -0.09 -2.27 0.05 0.00 1.00 0.00 0.00 33.01 31.70 1x4m s GLN 56 CO 0.07 0.36 0.11 0.09 -2.12 0.00 0.00 175.29 173.80 1x4m n ASN 57 N -0.99 0.34 -3.57 5.90 3.02 -1.26 -4.89 115.26 113.81 1x4m n ASN 57 Ca -0.07 -1.16 -0.12 0.00 -0.03 0.00 0.00 54.58 53.20 1x4m n ASN 57 Cb 0.59 -1.45 -0.04 0.00 -0.61 0.00 0.00 39.78 38.27 1x4m n ASN 57 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1x4m s THR 58 N -4.01 0.04 0.42 3.41 -1.32 -1.26 -5.15 115.64 107.78 1x4m s THR 58 Ca 0.16 -0.32 -0.25 0.00 -1.21 0.00 0.00 61.69 60.07 1x4m s THR 58 Cb -0.09 -1.04 -0.10 0.00 -1.51 0.00 0.00 72.50 69.76 1x4m s THR 58 CO 0.92 -0.18 1.16 0.61 -2.21 0.00 0.00 174.62 174.92 1x4m n GLY 59 N 0.06 0.21 3.56 6.08 0.00 -1.26 -4.82 105.19 109.03 1x4m n GLY 59 Ca -0.17 0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 1x4m n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x4m s ALA 60 N -1.23 1.96 0.26 4.61 0.00 -1.26 -4.88 121.76 121.22 1x4m s ALA 60 Ca 0.62 -0.05 -0.19 0.00 0.00 0.00 0.00 51.96 52.34 1x4m s ALA 60 Cb -0.53 -4.28 0.02 0.00 0.00 0.00 0.00 23.12 18.33 1x4m s ALA 60 CO 0.57 -4.02 0.65 0.34 0.00 0.00 0.00 175.76 173.30 1x4m s ASP 61 N 10.35 -0.25 -0.28 0.00 2.15 -1.26 -4.72 116.67 122.65 1x4m s ASP 61 Ca 0.89 -0.61 -0.02 0.00 0.43 0.00 0.00 52.55 53.24 1x4m s ASP 61 Cb -0.18 0.68 0.09 0.00 -0.30 0.00 0.00 42.92 43.21 1x4m s ASP 61 CO 0.26 -1.26 0.09 -0.54 -0.17 0.00 0.00 175.17 173.56 1x4m s LYS 62 N -3.92 0.56 -0.33 4.34 -0.14 0.22 -4.80 119.74 115.66 1x4m s LYS 62 Ca 0.12 -0.79 -0.29 0.00 -1.36 0.00 0.00 55.97 53.65 1x4m s LYS 62 Cb -0.04 -1.79 -0.01 0.00 -1.68 0.00 0.00 37.83 34.31 1x4m s LYS 62 CO 0.05 -0.93 1.69 -1.25 -0.76 0.00 0.00 175.35 174.15 1x4m s PRO 63 N 1.80 3.45 -0.09 -1.68 0.04 -1.25 -0.76 135.00 136.51 1x4m s PRO 63 Ca 0.07 1.36 -0.17 0.00 0.04 0.00 0.00 61.00 62.30 1x4m s PRO 63 Cb -0.17 -4.14 -0.05 0.00 0.04 0.00 0.00 34.50 30.19 1x4m s PRO 63 CO -0.25 -1.72 0.45 -1.17 0.04 0.00 0.00 177.00 174.36 1x4m s LEU 64 N 6.35 4.33 -0.29 -3.56 2.96 0.14 -0.58 118.68 128.02 1x4m s LEU 64 Ca 0.75 0.84 -0.09 0.00 -0.22 0.00 0.00 54.13 55.41 1x4m s LEU 64 Cb -0.21 -2.66 -0.02 0.00 0.50 0.00 0.00 46.19 43.81 1x4m s LEU 64 CO 0.33 0.09 0.13 -0.60 -1.32 0.00 0.00 176.35 174.99 1x4m s ARG 65 N 0.17 3.45 -0.36 1.98 3.52 0.11 -1.17 118.95 126.65 1x4m s ARG 65 Ca 0.25 -0.63 -0.08 0.00 -0.13 0.00 0.00 55.73 55.14 1x4m s ARG 65 Cb -0.15 -3.51 0.04 0.00 -1.56 0.00 0.00 34.95 29.76 1x4m s ARG 65 CO 0.11 -0.34 0.15 0.42 -0.81 0.00 0.00 175.30 174.82 1x4m s ILE 66 N 1.62 4.00 0.21 4.11 1.01 0.20 -0.66 121.20 131.69 1x4m s ILE 66 Ca 0.05 -1.13 0.05 0.00 0.00 0.00 0.00 60.65 59.62 1x4m s ILE 66 Cb -0.17 -3.29 -0.03 0.00 0.01 0.00 0.00 42.46 38.98 1x4m s ILE 66 CO 0.06 -0.24 0.28 0.42 0.00 0.00 0.00 174.94 175.46 1x4m s THR 67 N 1.43 5.03 0.00 2.92 -4.23 0.06 -0.89 115.64 119.95 1x4m s THR 67 Ca -0.00 -1.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.50 1x4m s THR 67 Cb -0.20 -3.68 0.00 0.00 1.34 0.00 0.00 72.50 69.96 1x4m s THR 67 CO 0.03 -0.25 0.00 0.61 -0.54 0.00 0.00 174.62 174.48 1x4m n GLY 68 N -1.03 -0.28 3.37 3.99 0.00 0.10 0.02 105.19 111.36 1x4m n GLY 68 Ca -0.08 0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 1x4m n GLY 68 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x4m s ASP 69 N -4.00 2.81 0.32 1.61 1.01 -1.26 -1.59 116.67 115.57 1x4m s ASP 69 Ca 0.00 -1.02 0.11 0.00 0.71 0.00 0.00 52.55 52.34 1x4m s ASP 69 Cb 0.00 -0.17 0.52 0.00 1.01 0.00 0.00 42.92 44.27 1x4m s ASP 69 CO 0.00 -0.12 1.71 1.55 0.21 0.00 0.00 175.17 178.52 1x4m h PRO 70 N 2.50 0.05 0.00 8.23 0.13 -1.94 0.61 132.00 141.58 1x4m h PRO 70 Ca -0.39 -0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 64.67 1x4m h PRO 70 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1x4m h PRO 70 CO 0.61 0.52 -1.29 0.98 -0.23 0.00 0.00 178.00 178.59 1x4m n TYR 71 N -3.96 0.81 -0.10 1.56 4.19 -1.26 -4.02 117.16 114.38 1x4m n TYR 71 Ca -0.02 0.25 -0.15 0.00 3.31 0.00 0.00 57.90 61.29 1x4m n TYR 71 Cb 0.51 -0.93 -0.06 0.00 0.49 0.00 0.00 39.34 39.34 1x4m n TYR 71 CO 0.00 0.00 0.00 1.63 0.91 0.00 0.00 176.86 179.40 1x4m n LYS 72 N -2.68 0.52 -0.45 2.98 5.02 -1.15 -4.08 118.16 118.32 1x4m n LYS 72 Ca -0.04 0.44 0.38 0.00 -2.02 0.00 0.00 58.31 57.07 1x4m n LYS 72 Cb 0.65 -1.63 0.70 0.00 -0.02 0.00 0.00 35.03 34.73 1x4m n LYS 72 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1x4m h VAL 73 N -1.00 0.25 -0.29 -0.18 2.07 0.02 1.10 116.25 118.23 1x4m h VAL 73 Ca -0.22 -0.03 -0.12 0.00 0.82 0.00 0.00 66.70 67.15 1x4m h VAL 73 Cb 1.02 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1x4m h VAL 73 CO -0.13 0.02 -0.34 0.06 0.02 0.00 0.00 177.57 177.20 1x4m h GLN 74 N 0.09 0.62 0.39 1.57 3.07 -1.73 -2.53 115.11 116.59 1x4m h GLN 74 Ca 0.73 -0.29 -0.02 0.00 0.09 0.00 0.00 58.65 59.16 1x4m h GLN 74 Cb 2.58 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 30.14 1x4m h GLN 74 CO -0.17 0.87 -0.19 1.96 0.09 0.00 0.00 178.83 181.40 1x4m h GLN 75 N 0.53 -0.51 -0.31 0.06 4.20 0.11 -3.28 115.11 115.90 1x4m h GLN 75 Ca 0.06 0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.87 1x4m h GLN 75 Cb 0.83 0.11 -0.08 0.00 0.30 0.00 0.00 27.48 28.65 1x4m h GLN 75 CO 0.07 -0.19 -0.22 0.00 -0.67 0.00 0.00 178.83 177.81 1x4m h ALA 76 N -0.53 -0.04 -0.85 3.87 0.00 -1.48 -0.91 119.26 119.33 1x4m h ALA 76 Ca -0.05 0.10 0.33 0.00 0.00 0.00 0.00 54.91 55.29 1x4m h ALA 76 Cb 0.55 0.50 -0.15 0.00 0.00 0.00 0.00 17.79 18.68 1x4m h ALA 76 CO 0.09 -0.63 0.38 1.17 0.00 0.00 0.00 179.25 180.26 1x4m n LYS 77 N -5.38 -0.05 -0.03 0.00 4.81 -0.95 0.22 118.16 116.78 1x4m n LYS 77 Ca 0.00 1.19 -0.17 0.00 -0.87 0.00 0.00 58.31 58.46 1x4m n LYS 77 Cb 0.29 -2.09 -0.07 0.00 0.02 0.00 0.00 35.03 33.18 1x4m n LYS 77 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1x4m h GLU 78 N 0.00 0.78 -0.67 1.64 4.39 -1.24 -1.53 114.58 117.94 1x4m h GLU 78 Ca 0.68 -0.62 0.05 0.00 0.34 0.00 0.00 59.36 59.81 1x4m h GLU 78 Cb 1.76 0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 30.49 1x4m h GLU 78 CO -0.68 1.23 0.44 0.52 -1.16 0.00 0.00 179.01 179.37 1x4m h MET 79 N 0.51 0.73 0.01 2.33 2.86 0.30 -0.50 114.93 121.16 1x4m h MET 79 Ca -0.05 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1x4m h MET 79 Cb 1.36 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.86 1x4m h MET 79 CO 0.15 0.48 -0.00 0.28 1.06 0.00 0.00 176.91 178.88 1x4m h VAL 80 N 0.75 1.23 -0.99 -2.22 2.07 -1.11 -3.15 116.25 112.83 1x4m h VAL 80 Ca 0.28 -1.90 0.20 0.00 0.82 0.00 0.00 66.70 66.11 1x4m h VAL 80 Cb 0.16 2.32 -0.10 0.00 -1.52 0.00 0.00 31.29 32.15 1x4m h VAL 80 CO -0.08 0.41 0.62 -0.07 0.02 0.00 0.00 177.57 178.47 1x4m h LEU 81 N -0.99 0.68 -1.17 2.57 3.38 -1.14 0.75 115.31 119.39 1x4m h LEU 81 Ca -0.00 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1x4m h LEU 81 Cb 0.68 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1x4m h LEU 81 CO 0.00 0.23 0.00 -0.08 0.09 0.00 0.00 178.44 178.68 1x4m h GLU 82 N 0.66 0.00 -0.14 1.13 4.81 -1.20 -1.09 114.58 118.75 1x4m h GLU 82 Ca 0.57 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.64 1x4m h GLU 82 Cb 1.04 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.42 1x4m h GLU 82 CO -0.35 0.00 -0.53 1.25 -0.73 0.00 0.00 179.01 178.66 1x4m h LEU 83 N 0.00 0.70 0.00 1.64 7.12 0.56 -3.24 115.31 122.09 1x4m h LEU 83 Ca 0.00 -0.61 -0.05 0.00 0.13 0.00 0.00 57.88 57.34 1x4m h LEU 83 Cb 0.57 -0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 40.49 1x4m h LEU 83 CO 0.00 1.20 -0.71 0.16 -0.13 0.00 0.00 178.44 178.96 1x4m h ILE 84 N 0.25 0.25 -4.19 4.05 -0.00 -1.38 -3.47 117.51 113.02 1x4m h ILE 84 Ca -0.03 -1.41 -0.51 0.00 -0.00 0.00 0.00 64.86 62.91 1x4m h ILE 84 Cb 1.16 1.91 0.18 0.00 -0.00 0.00 0.00 36.82 40.07 1x4m h ILE 84 CO 0.11 0.15 0.23 -0.13 -0.00 0.00 0.00 178.15 178.51 1x4m s ARG 85 N -3.16 1.15 0.03 0.16 0.52 -0.42 -4.97 118.95 112.26 1x4m s ARG 85 Ca 0.02 1.38 -0.05 0.00 -0.52 0.00 0.00 55.73 56.55 1x4m s ARG 85 Cb 0.08 -1.76 -0.01 0.00 0.52 0.00 0.00 34.95 33.78 1x4m s ARG 85 CO 0.75 -2.48 0.09 0.16 0.02 0.00 0.00 175.30 173.84 1x4m s ASP 86 N -2.86 0.16 0.33 0.23 -4.77 -1.26 -4.97 116.67 103.53 1x4m s ASP 86 Ca 0.65 -0.47 0.05 0.00 -3.30 0.00 0.00 52.55 49.48 1x4m s ASP 86 Cb -0.21 0.21 -0.07 0.00 -1.09 0.00 0.00 42.92 41.76 1x4m s ASP 86 CO 0.58 -0.46 0.04 -1.10 0.70 0.00 0.00 175.17 174.93 1x4m s GLN 87 N -2.25 1.68 -0.00 2.11 -0.21 -1.26 -5.10 119.66 114.63 1x4m s GLN 87 Ca -0.08 -1.93 -0.02 0.00 0.02 0.00 0.00 55.36 53.35 1x4m s GLN 87 Cb -0.03 -1.01 -0.01 0.00 1.00 0.00 0.00 33.01 32.96 1x4m s GLN 87 CO -0.03 -0.14 0.62 0.78 -2.12 0.00 0.00 175.29 174.40 1x4m h GLY 88 N 2.09 -0.09 -5.31 3.09 0.00 -2.08 -3.42 103.07 97.34 1x4m h GLY 88 Ca -0.41 0.03 -0.57 0.00 0.00 0.00 0.00 47.33 46.38 1x4m h GLY 88 CO 0.71 -0.03 0.88 -0.45 0.00 0.00 0.00 176.54 177.65 1x4m s SER 89 N -2.64 6.94 -0.00 0.19 0.15 -1.26 -5.02 113.70 112.06 1x4m s SER 89 Ca -0.01 1.45 -0.01 0.00 0.70 0.00 0.00 55.95 58.08 1x4m s SER 89 Cb 0.00 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.73 1x4m s SER 89 CO 0.04 -0.80 0.13 -0.83 1.20 0.00 0.00 173.24 172.98 1x4m s GLY 90 N 1.84 2.10 -0.01 9.45 0.00 -1.26 -5.03 107.32 114.40 1x4m s GLY 90 Ca 0.51 -0.82 -0.25 0.00 0.00 0.00 0.00 44.72 44.15 1x4m s GLY 90 CO 0.13 -0.71 1.28 -0.56 0.00 0.00 0.00 173.10 173.24 1x4m h PRO 91 N 3.92 0.06 -7.10 2.90 0.13 -1.99 -3.45 132.00 126.47 1x4m h PRO 91 Ca -0.49 -0.03 -0.52 0.00 -0.87 0.00 0.00 66.00 64.09 1x4m h PRO 91 Cb 1.18 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.42 1x4m h PRO 91 CO 0.66 0.53 0.46 -1.54 -0.23 0.00 0.00 178.00 177.87 1x4m s SER 92 N -5.76 5.26 -0.07 1.44 1.04 -1.26 -4.98 113.70 109.37 1x4m s SER 92 Ca -0.16 2.33 -0.23 0.00 0.48 0.00 0.00 55.95 58.37 1x4m s SER 92 Cb 0.02 -2.59 -0.19 0.00 0.10 0.00 0.00 66.02 63.36 1x4m s SER 92 CO 0.69 -1.54 0.87 -1.28 0.98 0.00 0.00 173.24 172.96 1x4m h SER 93 N 0.88 -0.08 -0.00 7.02 0.87 -2.06 -3.54 113.55 116.65 1x4m h SER 93 Ca -0.50 -0.55 0.00 0.00 -1.23 0.00 0.00 61.79 59.51 1x4m h SER 93 Cb 1.29 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 1x4m h SER 93 CO 0.55 0.59 0.00 0.61 -0.53 0.00 0.00 176.83 178.05