#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4m n SER 2 N 0.00 -2.74 0.08 1.61 7.64 -1.26 -5.00 113.62 113.96 1x4m n SER 2 Ca 0.00 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.83 1x4m n SER 2 Cb 0.00 -0.80 0.00 0.00 -1.01 0.00 0.00 64.21 62.40 1x4m n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x4m n SER 3 N 0.38 0.66 0.00 6.43 3.41 -1.26 -5.17 113.62 118.08 1x4m n SER 3 Ca -0.00 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 1x4m n SER 3 Cb 0.67 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 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 2.82 4.36 2.68 5.00 0.00 -1.26 -5.12 105.19 113.67 1x4m n GLY 4 Ca 0.00 -1.04 -0.22 0.00 0.00 0.00 0.00 46.02 44.76 1x4m n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x4m s SER 5 N 0.00 1.91 -0.10 1.61 0.15 -1.26 -5.11 113.70 110.90 1x4m s SER 5 Ca 0.00 -0.47 -0.40 0.00 0.70 0.00 0.00 55.95 55.78 1x4m s SER 5 Cb 0.00 0.10 -0.18 0.00 -1.71 0.00 0.00 66.02 64.22 1x4m s SER 5 CO 0.00 -0.35 1.34 -1.54 1.20 0.00 0.00 173.24 173.89 1x4m n SER 6 N 5.30 1.05 -4.61 5.45 3.41 -1.26 -4.82 113.62 118.14 1x4m n SER 6 Ca -0.06 1.14 -0.43 0.00 -0.26 0.00 0.00 58.87 59.26 1x4m n SER 6 Cb 0.49 -1.03 -0.02 0.00 -0.26 0.00 0.00 64.21 63.39 1x4m n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x4m s GLY 7 N 1.16 1.14 0.79 5.00 0.00 -1.26 -5.00 107.32 109.15 1x4m s GLY 7 Ca 0.92 -0.07 -0.11 0.00 0.00 0.00 0.00 44.72 45.46 1x4m s GLY 7 CO 0.59 2.76 1.09 0.30 0.00 0.00 0.00 173.10 177.84 1x4m s HIS 8 N 5.30 2.79 0.00 1.90 0.09 -1.26 -5.04 115.29 119.07 1x4m s HIS 8 Ca 0.61 1.28 0.00 0.00 -0.00 0.00 0.00 55.06 56.95 1x4m s HIS 8 Cb -0.15 -3.06 0.00 0.00 -0.00 0.00 0.00 32.58 29.37 1x4m s HIS 8 CO 0.31 -1.75 0.00 0.41 -0.00 0.00 0.00 174.74 173.71 1x4m n GLY 9 N -1.82 -1.62 3.13 -2.22 0.00 -1.26 -5.11 105.19 96.30 1x4m n GLY 9 Ca 0.07 0.87 -0.38 0.00 0.00 0.00 0.00 46.02 46.58 1x4m n GLY 9 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1x4m s ASP 10 N 0.00 5.50 0.05 1.61 -4.77 -1.26 -5.06 116.67 112.75 1x4m s ASP 10 Ca 0.00 -2.87 0.06 0.00 -3.30 0.00 0.00 52.55 46.44 1x4m s ASP 10 Cb 0.00 -1.92 -0.03 0.00 -1.09 0.00 0.00 42.92 39.89 1x4m s ASP 10 CO 0.00 -0.39 -0.17 -0.83 0.70 0.00 0.00 175.17 174.47 1x4m s GLY 11 N 0.88 0.98 0.65 2.12 0.00 -1.26 -5.14 107.32 105.55 1x4m s GLY 11 Ca 0.18 -0.99 -0.15 0.00 0.00 0.00 0.00 44.72 43.76 1x4m s GLY 11 CO -0.04 -0.96 1.11 2.56 0.00 0.00 0.00 173.10 175.77 1x4m s PRO 12 N -1.34 2.82 0.00 2.90 0.04 -1.26 -4.95 135.00 133.22 1x4m s PRO 12 Ca 0.04 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.48 1x4m s PRO 12 Cb -0.09 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1x4m s PRO 12 CO 0.02 -1.23 0.00 0.41 0.04 0.00 0.00 177.00 176.24 1x4m n GLY 13 N -0.48 2.89 3.78 0.56 0.00 -1.26 -5.05 105.19 105.62 1x4m n GLY 13 Ca 0.10 -1.76 -0.37 0.00 0.00 0.00 0.00 46.02 43.99 1x4m n GLY 13 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x4m s ASN 14 N 0.00 6.82 0.12 1.61 0.01 -1.26 -4.96 114.94 117.28 1x4m s ASN 14 Ca 0.00 2.12 -0.25 0.00 -0.71 0.00 0.00 52.86 54.01 1x4m s ASN 14 Cb 0.00 -2.60 -0.07 0.00 0.41 0.00 0.00 41.25 38.99 1x4m s ASN 14 CO 0.00 -0.45 0.77 0.00 -1.51 0.00 0.00 177.10 175.91 1x4m s ALA 15 N -1.53 3.42 0.01 0.60 0.00 -0.86 -4.85 121.76 118.54 1x4m s ALA 15 Ca 0.55 0.33 0.02 0.00 0.00 0.00 0.00 51.96 52.87 1x4m s ALA 15 Cb -0.25 -2.98 -0.01 0.00 0.00 0.00 0.00 23.12 19.89 1x4m s ALA 15 CO 0.31 0.20 -0.08 0.54 0.00 0.00 0.00 175.76 176.74 1x4m s VAL 16 N -0.71 0.61 -0.02 0.00 0.11 -1.26 -0.25 120.40 118.88 1x4m s VAL 16 Ca 0.37 -0.50 -0.00 0.00 -2.93 0.00 0.00 61.98 58.92 1x4m s VAL 16 Cb -0.22 -0.55 0.03 0.00 -1.53 0.00 0.00 36.38 34.11 1x4m s VAL 16 CO 0.25 0.05 0.04 -1.10 -3.33 0.00 0.00 175.10 171.01 1x4m s GLN 17 N -0.50 -0.04 -0.12 1.54 -1.52 0.18 -4.96 119.66 114.24 1x4m s GLN 17 Ca 0.01 0.22 -0.04 0.00 -1.95 0.00 0.00 55.36 53.60 1x4m s GLN 17 Cb -0.04 -0.28 -0.03 0.00 -0.22 0.00 0.00 33.01 32.43 1x4m s GLN 17 CO -0.00 -0.19 0.01 -1.21 -0.25 0.00 0.00 175.29 173.65 1x4m s GLU 18 N 1.22 3.36 0.23 2.91 2.02 -1.26 -0.18 118.70 127.01 1x4m s GLU 18 Ca -0.07 -0.41 0.02 0.00 0.02 0.00 0.00 54.97 54.53 1x4m s GLU 18 Cb -0.13 -2.92 -0.05 0.00 0.10 0.00 0.00 34.13 31.13 1x4m s GLU 18 CO -0.03 0.52 0.05 0.96 0.02 0.00 0.00 175.26 176.78 1x4m s ILE 19 N -0.37 0.70 -0.26 -1.63 -0.00 -0.29 -4.94 121.20 114.43 1x4m s ILE 19 Ca 0.07 -2.00 -0.10 0.00 -0.00 0.00 0.00 60.65 58.62 1x4m s ILE 19 Cb -0.12 -2.45 -0.05 0.00 -0.00 0.00 0.00 42.46 39.84 1x4m s ILE 19 CO 0.02 -0.19 0.16 0.00 -0.00 0.00 0.00 174.94 174.93 1x4m s MET 20 N -3.96 3.95 -0.14 0.37 0.23 -1.26 0.09 119.30 118.57 1x4m s MET 20 Ca 0.32 -0.33 0.02 0.00 -1.03 0.00 0.00 55.69 54.67 1x4m s MET 20 Cb 0.07 -3.55 0.00 0.00 -1.53 0.00 0.00 34.83 29.82 1x4m s MET 20 CO 0.10 -0.08 -0.20 0.42 -2.03 0.00 0.00 175.02 173.24 1x4m s ILE 21 N 1.44 2.30 -0.19 3.16 -1.09 -0.24 -4.92 121.20 121.66 1x4m s ILE 21 Ca 0.07 -0.90 -0.29 0.00 -2.23 0.00 0.00 60.65 57.30 1x4m s ILE 21 Cb -0.15 -1.94 -0.03 0.00 -1.58 0.00 0.00 42.46 38.77 1x4m s ILE 21 CO 0.07 0.54 1.59 -2.16 -1.23 0.00 0.00 174.94 173.75 1x4m s PRO 22 N 0.77 3.89 0.56 2.79 0.04 -1.26 -0.17 135.00 141.62 1x4m s PRO 22 Ca -0.07 1.74 0.36 0.00 0.04 0.00 0.00 61.00 63.06 1x4m s PRO 22 Cb -0.16 -4.00 1.23 0.00 0.04 0.00 0.00 34.50 31.62 1x4m s PRO 22 CO -0.00 -1.17 1.35 0.00 0.04 0.00 0.00 177.00 177.22 1x4m n ALA 23 N 8.07 1.35 0.13 8.56 0.00 -1.26 0.76 120.51 138.12 1x4m n ALA 23 Ca 0.18 0.47 -0.14 0.00 0.00 0.00 0.00 53.44 53.95 1x4m n ALA 23 Cb 0.45 -0.81 -0.08 0.00 0.00 0.00 0.00 19.45 19.01 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 -0.26 0.18 0.00 0.02 -1.93 -2.89 113.55 108.67 1x4m h SER 24 Ca 0.67 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.46 1x4m h SER 24 Cb 3.19 0.07 0.00 0.00 0.14 0.00 0.00 62.40 65.80 1x4m h SER 24 CO -0.01 0.01 -0.05 0.29 -1.14 0.00 0.00 176.83 175.93 1x4m n LYS 25 N -5.12 0.99 -0.02 3.45 4.76 0.23 -3.90 118.16 118.54 1x4m n LYS 25 Ca -0.09 -0.33 -0.13 0.00 -2.87 0.00 0.00 58.31 54.89 1x4m n LYS 25 Cb 0.22 -1.49 -0.09 0.00 -1.84 0.00 0.00 35.03 31.83 1x4m n LYS 25 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1x4m h ALA 26 N 3.88 0.07 0.00 7.82 0.00 -0.76 -2.42 119.26 127.86 1x4m h ALA 26 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1x4m h ALA 26 Cb 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1x4m h ALA 26 CO 0.00 -0.19 0.00 0.41 0.00 0.00 0.00 179.25 179.47 1x4m n GLY 27 N 0.02 -0.60 0.12 0.00 0.00 -1.22 -0.16 105.19 103.35 1x4m n GLY 27 Ca -0.07 0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.64 1.99 0.15 0.99 4.32 -1.07 -2.51 117.00 119.24 1x4m n LEU 28 Ca 0.00 0.36 0.02 0.00 -0.02 0.00 0.00 56.01 56.37 1x4m n LEU 28 Cb 0.02 -0.94 0.19 0.00 -1.62 0.00 0.00 43.42 41.07 1x4m n LEU 28 CO 0.03 0.44 0.53 1.62 -1.22 0.00 0.00 177.39 178.79 1x4m h VAL 29 N -0.87 1.11 0.14 4.08 3.04 -0.99 -3.28 116.25 119.48 1x4m h VAL 29 Ca -0.47 -2.02 -0.34 0.00 -1.01 0.00 0.00 66.70 62.86 1x4m h VAL 29 Cb 1.48 2.18 -0.00 0.00 -2.01 0.00 0.00 31.29 32.94 1x4m h VAL 29 CO -0.24 0.52 -1.75 0.40 -1.01 0.00 0.00 177.57 175.49 1x4m h ILE 30 N 0.00 0.84 -0.19 3.17 2.04 -0.75 0.20 117.51 122.82 1x4m h ILE 30 Ca -0.01 -2.41 0.01 0.00 1.00 0.00 0.00 64.86 63.46 1x4m h ILE 30 Cb 1.14 2.63 -0.00 0.00 -0.74 0.00 0.00 36.82 39.85 1x4m h ILE 30 CO 0.07 0.82 -0.02 0.61 0.00 0.00 0.00 178.15 179.63 1x4m n GLY 31 N 1.87 -2.10 3.58 5.37 0.00 -1.04 -1.19 105.19 111.67 1x4m n GLY 31 Ca -0.28 -1.44 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 1x4m n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4m s LYS 32 N -0.40 3.86 0.00 1.61 1.02 -1.26 -3.71 119.74 120.86 1x4m s LYS 32 Ca 0.00 -1.77 0.00 0.00 0.02 0.00 0.00 55.97 54.22 1x4m s LYS 32 Cb 0.00 -5.49 0.00 0.00 -0.52 0.00 0.00 37.83 31.82 1x4m s LYS 32 CO 0.00 -2.29 0.00 0.41 -0.92 0.00 0.00 175.35 172.55 1x4m n GLY 33 N 5.75 0.67 3.92 -3.33 0.00 -1.26 -4.48 105.19 106.45 1x4m n GLY 33 Ca 0.45 -0.15 -0.28 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.22 -0.43 0.12 -0.02 0.00 -1.03 -4.89 105.19 98.72 1x4m n GLY 34 Ca 0.00 0.23 -0.18 0.00 0.00 0.00 0.00 46.02 46.07 1x4m n GLY 34 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1x4m n GLU 35 N -4.41 0.72 -0.06 1.61 0.00 -0.33 -3.78 120.64 114.38 1x4m n GLU 35 Ca -0.25 0.24 -0.03 0.00 0.00 0.00 0.00 57.16 57.12 1x4m n GLU 35 Cb 0.66 -1.69 -0.02 0.00 0.00 0.00 0.00 31.44 30.38 1x4m n GLU 35 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 1x4m h THR 36 N 0.04 0.22 -0.95 6.31 2.02 -1.73 -3.31 112.91 115.52 1x4m h THR 36 Ca -0.42 -1.18 0.27 0.00 0.77 0.00 0.00 66.41 65.85 1x4m h THR 36 Cb 2.02 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 68.83 1x4m h THR 36 CO 0.06 0.07 0.68 -0.29 0.37 0.00 0.00 175.52 176.42 1x4m h ILE 37 N -1.00 0.53 -0.73 3.11 2.10 -0.69 0.25 117.51 121.08 1x4m h ILE 37 Ca -0.01 -0.01 -0.06 0.00 1.08 0.00 0.00 64.86 65.86 1x4m h ILE 37 Cb 0.27 0.50 -0.03 0.00 -1.09 0.00 0.00 36.82 36.47 1x4m h ILE 37 CO -0.01 0.01 0.22 0.50 -1.08 0.00 0.00 178.15 177.79 1x4m h LYS 38 N 0.03 1.14 0.00 2.19 3.64 -1.69 -2.57 116.57 119.31 1x4m h LYS 38 Ca 0.46 -0.25 -0.12 0.00 -1.27 0.00 0.00 60.65 59.47 1x4m h LYS 38 Cb 1.78 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 33.42 1x4m h LYS 38 CO -0.02 0.98 -0.56 1.96 -2.27 0.00 0.00 179.45 179.53 1x4m h GLN 39 N 1.09 0.00 0.00 1.90 1.08 -0.61 -2.99 115.11 115.58 1x4m h GLN 39 Ca 0.24 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.42 1x4m h GLN 39 Cb 0.31 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.74 1x4m h GLN 39 CO -0.01 0.56 -0.08 -0.07 -0.95 0.00 0.00 178.83 178.28 1x4m h LEU 40 N 0.00 0.00 -1.36 1.46 3.38 -0.98 -1.97 115.31 115.84 1x4m h LEU 40 Ca -0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1x4m h LEU 40 Cb 1.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1x4m h LEU 40 CO 0.07 0.08 -0.28 1.56 0.09 0.00 0.00 178.44 179.96 1x4m h GLN 41 N 0.00 0.05 0.10 1.13 4.20 -1.40 -2.93 115.11 116.26 1x4m h GLN 41 Ca -0.00 -0.02 -0.16 0.00 0.06 0.00 0.00 58.65 58.53 1x4m h GLN 41 Cb 0.29 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.08 1x4m h GLN 41 CO 0.01 0.34 -0.74 0.93 -0.67 0.00 0.00 178.83 178.70 1x4m h GLU 42 N 0.05 0.22 -1.01 1.46 5.08 -1.52 1.25 114.58 120.10 1x4m h GLU 42 Ca 0.01 -0.37 0.26 0.00 -1.00 0.00 0.00 59.36 58.25 1x4m h GLU 42 Cb 0.53 0.14 -0.08 0.00 0.50 0.00 0.00 28.75 29.84 1x4m h GLU 42 CO 0.04 1.18 0.66 0.00 -1.00 0.00 0.00 179.01 179.89 1x4m h ARG 43 N -0.52 0.35 0.00 2.33 2.47 -1.44 -2.24 114.38 115.34 1x4m h ARG 43 Ca -0.14 -0.02 -0.16 0.00 -1.26 0.00 0.00 59.98 58.40 1x4m h ARG 43 Cb 1.51 -0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 29.72 1x4m h ARG 43 CO 0.09 0.23 -1.76 0.00 0.56 0.00 0.00 179.97 179.10 1x4m n ALA 44 N -2.51 1.93 -1.63 0.04 0.00 -1.12 -5.03 120.51 112.19 1x4m n ALA 44 Ca 0.24 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1x4m n ALA 44 Cb 0.86 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 20.18 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 2.12 0.87 3.24 0.00 0.00 0.40 -4.86 105.19 106.94 1x4m n GLY 45 Ca -0.15 -0.59 -0.14 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.30 1.01 -0.28 1.61 -7.23 0.80 -4.75 120.40 109.26 1x4m s VAL 46 Ca 0.00 -2.02 -0.18 0.00 -1.81 0.00 0.00 61.98 57.96 1x4m s VAL 46 Cb 0.00 -1.88 -0.02 0.00 0.56 0.00 0.00 36.38 35.04 1x4m s VAL 46 CO 0.00 -0.72 0.54 -0.75 -0.31 0.00 0.00 175.10 173.86 1x4m s LYS 47 N -3.79 3.98 -0.37 4.82 2.20 0.13 -4.22 119.74 122.49 1x4m s LYS 47 Ca 0.17 0.26 -0.12 0.00 -0.36 0.00 0.00 55.97 55.92 1x4m s LYS 47 Cb 0.04 -3.69 0.01 0.00 -1.51 0.00 0.00 37.83 32.68 1x4m s LYS 47 CO 0.00 -0.43 0.23 -1.64 -0.36 0.00 0.00 175.35 173.15 1x4m s MET 48 N 2.38 3.03 -0.19 4.03 -1.94 -1.26 -0.99 119.30 124.36 1x4m s MET 48 Ca 0.22 -0.95 0.01 0.00 -1.71 0.00 0.00 55.69 53.26 1x4m s MET 48 Cb -0.15 -3.78 0.03 0.00 2.01 0.00 0.00 34.83 32.94 1x4m s MET 48 CO 0.10 -0.63 -0.14 0.08 -0.01 0.00 0.00 175.02 174.41 1x4m s VAL 49 N 1.62 1.86 -0.06 -6.03 1.01 0.10 -4.96 120.40 113.95 1x4m s VAL 49 Ca 0.04 -1.03 -0.30 0.00 0.00 0.00 0.00 61.98 60.69 1x4m s VAL 49 Cb -0.19 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 1x4m s VAL 49 CO 0.08 0.31 1.08 -0.04 0.00 0.00 0.00 175.10 176.53 1x4m s MET 50 N 1.33 4.42 -0.55 2.72 -1.94 -1.26 -0.49 119.30 123.53 1x4m s MET 50 Ca 0.01 1.51 -0.19 0.00 -1.71 0.00 0.00 55.69 55.31 1x4m s MET 50 Cb -0.15 -3.52 0.08 0.00 2.01 0.00 0.00 34.83 33.25 1x4m s MET 50 CO -0.10 -0.31 0.67 0.42 -0.01 0.00 0.00 175.02 175.70 1x4m s ILE 51 N 1.83 4.83 -0.60 2.53 -1.09 0.10 -4.91 121.20 123.89 1x4m s ILE 51 Ca 0.52 -0.70 -0.02 0.00 -2.23 0.00 0.00 60.65 58.22 1x4m s ILE 51 Cb -0.22 -4.39 0.15 0.00 -1.58 0.00 0.00 42.46 36.42 1x4m s ILE 51 CO 0.22 -0.96 0.40 -1.58 -1.23 0.00 0.00 174.94 171.79 1x4m s GLN 52 N 2.70 2.46 -0.17 2.79 0.74 -1.26 -3.74 119.66 123.18 1x4m s GLN 52 Ca 0.14 -2.48 -0.14 0.00 0.05 0.00 0.00 55.36 52.93 1x4m s GLN 52 Cb -0.21 -3.68 -0.06 0.00 1.10 0.00 0.00 33.01 30.16 1x4m s GLN 52 CO 0.09 -1.16 -0.25 -0.25 -0.55 0.00 0.00 175.29 173.17 1x4m n ASP 53 N 3.55 1.88 0.00 6.67 9.92 -1.26 -5.07 116.55 132.25 1x4m n ASP 53 Ca 0.07 0.46 0.00 0.00 -0.53 0.00 0.00 54.79 54.79 1x4m n ASP 53 Cb 0.38 -0.81 0.00 0.00 -0.64 0.00 0.00 41.12 40.05 1x4m n ASP 53 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1x4m n GLY 54 N 1.51 -0.46 3.65 0.44 0.00 -1.26 -5.12 105.19 103.95 1x4m n GLY 54 Ca -0.15 0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 4.08 -0.11 1.61 0.04 -1.26 -4.92 135.00 134.43 1x4m s PRO 55 Ca 0.00 1.90 -0.09 0.00 0.04 0.00 0.00 61.00 62.86 1x4m s PRO 55 Cb 0.00 -3.95 -0.03 0.00 0.04 0.00 0.00 34.50 30.56 1x4m s PRO 55 CO 0.00 -0.95 -0.17 0.94 0.04 0.00 0.00 177.00 176.86 1x4m n GLN 56 N 7.17 0.35 0.04 4.56 -0.06 -1.26 -4.62 117.38 123.56 1x4m n GLN 56 Ca 0.17 0.37 0.11 0.00 -2.00 0.00 0.00 57.00 55.65 1x4m n GLN 56 Cb 0.44 -1.37 -0.01 0.00 -4.06 0.00 0.00 30.24 25.24 1x4m n GLN 56 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 1x4m n ASN 57 N -3.99 0.59 -4.74 1.69 4.13 -1.26 -4.92 115.26 106.75 1x4m n ASN 57 Ca -0.07 -0.03 -0.41 0.00 1.68 0.00 0.00 54.58 55.76 1x4m n ASN 57 Cb 0.25 0.85 -0.03 0.00 -1.54 0.00 0.00 39.78 39.31 1x4m n ASN 57 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1x4m s THR 58 N -3.29 3.14 0.26 3.41 2.01 -1.26 -4.93 115.64 114.98 1x4m s THR 58 Ca 0.01 0.98 -0.27 0.00 0.31 0.00 0.00 61.69 62.72 1x4m s THR 58 Cb 0.13 -3.63 -0.16 0.00 0.01 0.00 0.00 72.50 68.86 1x4m s THR 58 CO 0.81 0.17 0.66 0.61 -0.69 0.00 0.00 174.62 176.19 1x4m n GLY 59 N 1.98 -1.28 3.53 4.40 0.00 -1.26 -4.58 105.19 107.97 1x4m n GLY 59 Ca 0.04 0.30 -0.19 0.00 0.00 0.00 0.00 46.02 46.17 1x4m n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x4m n ALA 60 N -0.04 0.71 -3.65 4.61 0.00 -1.26 -4.77 120.51 116.11 1x4m n ALA 60 Ca 0.14 -1.08 -0.08 0.00 0.00 0.00 0.00 53.44 52.42 1x4m n ALA 60 Cb 0.29 -2.85 -0.02 0.00 0.00 0.00 0.00 19.45 16.87 1x4m n ALA 60 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1x4m s ASP 61 N 5.93 -0.35 -0.13 0.00 1.47 -1.26 -4.53 116.67 117.80 1x4m s ASP 61 Ca 1.12 -0.29 -0.00 0.00 1.18 0.00 0.00 52.55 54.56 1x4m s ASP 61 Cb -0.50 0.59 0.02 0.00 -0.34 0.00 0.00 42.92 42.70 1x4m s ASP 61 CO 0.32 -1.03 -0.11 -0.54 0.68 0.00 0.00 175.17 174.49 1x4m s LYS 62 N -3.62 1.92 -0.20 2.11 -0.14 0.75 -4.85 119.74 115.72 1x4m s LYS 62 Ca 0.07 -0.41 -0.29 0.00 -1.36 0.00 0.00 55.97 53.98 1x4m s LYS 62 Cb -0.03 -1.86 -0.03 0.00 -1.68 0.00 0.00 37.83 34.24 1x4m s LYS 62 CO -0.02 -0.25 1.60 -1.25 -0.76 0.00 0.00 175.35 174.66 1x4m s PRO 63 N 1.60 3.86 -0.24 -1.68 0.04 -1.25 -1.07 135.00 136.26 1x4m s PRO 63 Ca 0.05 1.71 -0.13 0.00 0.04 0.00 0.00 61.00 62.67 1x4m s PRO 63 Cb -0.13 -4.01 -0.05 0.00 0.04 0.00 0.00 34.50 30.36 1x4m s PRO 63 CO -0.10 -1.21 0.26 -1.17 0.04 0.00 0.00 177.00 174.82 1x4m s LEU 64 N 4.97 4.11 -0.24 -3.56 2.96 0.11 -0.73 118.68 126.30 1x4m s LEU 64 Ca 0.70 0.24 -0.14 0.00 -0.22 0.00 0.00 54.13 54.71 1x4m s LEU 64 Cb -0.25 -2.27 -0.04 0.00 0.50 0.00 0.00 46.19 44.13 1x4m s LEU 64 CO 0.28 -0.02 0.31 -0.60 -1.32 0.00 0.00 176.35 175.01 1x4m s ARG 65 N 1.34 4.07 -0.36 1.98 3.52 0.36 -1.14 118.95 128.73 1x4m s ARG 65 Ca 0.12 -0.01 -0.03 0.00 -0.13 0.00 0.00 55.73 55.68 1x4m s ARG 65 Cb -0.14 -3.59 0.08 0.00 -1.56 0.00 0.00 34.95 29.73 1x4m s ARG 65 CO 0.07 -0.11 0.11 0.42 -0.81 0.00 0.00 175.30 174.98 1x4m s ILE 66 N 1.56 3.20 0.11 4.11 1.01 0.75 -0.72 121.20 131.22 1x4m s ILE 66 Ca 0.14 -1.70 0.02 0.00 0.00 0.00 0.00 60.65 59.11 1x4m s ILE 66 Cb -0.15 -3.03 -0.04 0.00 0.01 0.00 0.00 42.46 39.26 1x4m s ILE 66 CO 0.08 -0.41 0.18 0.42 0.00 0.00 0.00 174.94 175.21 1x4m s THR 67 N 1.21 4.98 0.00 2.92 -4.23 -0.16 -0.65 115.64 119.71 1x4m s THR 67 Ca 0.02 -0.70 0.00 0.00 -1.18 0.00 0.00 61.69 59.84 1x4m s THR 67 Cb -0.21 -3.48 0.00 0.00 1.34 0.00 0.00 72.50 70.15 1x4m s THR 67 CO -0.02 0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1x4m n GLY 68 N -0.01 -0.65 3.42 3.99 0.00 0.65 0.19 105.19 112.78 1x4m n GLY 68 Ca -0.07 0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 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 3.26 0.34 1.61 1.11 -1.26 -2.03 116.67 115.71 1x4m s ASP 69 Ca 0.00 -0.96 0.13 0.00 0.18 0.00 0.00 52.55 51.90 1x4m s ASP 69 Cb 0.00 -0.24 0.62 0.00 1.07 0.00 0.00 42.92 44.37 1x4m s ASP 69 CO 0.00 0.02 1.75 1.55 1.18 0.00 0.00 175.17 179.66 1x4m h PRO 70 N 2.68 0.00 0.00 8.23 0.13 -1.93 0.53 132.00 141.64 1x4m h PRO 70 Ca -0.42 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.64 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 0.56 0.45 -1.32 0.98 -0.23 0.00 0.00 178.00 178.44 1x4m n TYR 71 N -3.89 0.84 -0.09 1.56 9.36 -1.26 -3.83 117.16 119.84 1x4m n TYR 71 Ca -0.01 0.26 -0.14 0.00 3.32 0.00 0.00 57.90 61.32 1x4m n TYR 71 Cb 0.49 -0.96 -0.06 0.00 -0.63 0.00 0.00 39.34 38.17 1x4m n TYR 71 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1x4m n LYS 72 N -2.72 0.52 -0.24 2.98 5.02 -1.15 -3.97 118.16 118.61 1x4m n LYS 72 Ca -0.05 0.47 0.04 0.00 -2.02 0.00 0.00 58.31 56.75 1x4m n LYS 72 Cb 0.68 -1.65 0.15 0.00 -0.02 0.00 0.00 35.03 34.19 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 0.39 -0.11 -0.18 2.07 -0.16 0.68 116.25 117.95 1x4m h VAL 73 Ca -0.21 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.30 1x4m h VAL 73 Cb 0.99 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1x4m h VAL 73 CO -0.13 0.02 0.08 0.06 0.02 0.00 0.00 177.57 177.62 1x4m h GLN 74 N 0.12 0.00 0.12 1.57 3.07 -1.72 0.04 115.11 118.31 1x4m h GLN 74 Ca 0.39 0.00 -0.17 0.00 0.09 0.00 0.00 58.65 58.96 1x4m h GLN 74 Cb 0.68 0.00 0.02 0.00 0.08 0.00 0.00 27.48 28.26 1x4m h GLN 74 CO -0.62 0.00 -0.76 1.96 0.09 0.00 0.00 178.83 179.51 1x4m h GLN 75 N 0.00 0.26 -0.57 0.06 1.08 0.08 -3.33 115.11 112.69 1x4m h GLN 75 Ca 0.05 -0.44 -0.02 0.00 -1.45 0.00 0.00 58.65 56.79 1x4m h GLN 75 Cb 0.21 0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 27.77 1x4m h GLN 75 CO -0.00 1.21 0.26 0.00 -0.95 0.00 0.00 178.83 179.35 1x4m h ALA 76 N 0.06 1.39 -0.91 3.87 0.00 -0.22 -2.32 119.26 121.12 1x4m h ALA 76 Ca -0.14 -0.13 0.15 0.00 0.00 0.00 0.00 54.91 54.80 1x4m h ALA 76 Cb 1.57 -0.23 -0.08 0.00 0.00 0.00 0.00 17.79 19.05 1x4m h ALA 76 CO 0.12 0.47 0.59 -0.22 0.00 0.00 0.00 179.25 180.21 1x4m h LYS 77 N 0.80 0.68 -0.19 0.00 3.64 -1.11 -0.19 116.57 120.20 1x4m h LYS 77 Ca 0.20 -0.04 -0.18 0.00 -1.27 0.00 0.00 60.65 59.36 1x4m h LYS 77 Cb 0.11 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1x4m h LYS 77 CO -0.02 0.45 -0.62 0.93 -2.27 0.00 0.00 179.45 177.92 1x4m h GLU 78 N 0.70 0.64 -0.11 1.90 5.08 -1.53 -2.06 114.58 119.20 1x4m h GLU 78 Ca 0.47 -0.44 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1x4m h GLU 78 Cb 0.77 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 1x4m h GLU 78 CO -0.23 1.06 -0.03 0.52 -1.00 0.00 0.00 179.01 179.34 1x4m h MET 79 N 0.48 -0.00 0.24 2.33 2.86 -0.93 -0.34 114.93 119.57 1x4m h MET 79 Ca -0.01 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1x4m h MET 79 Cb 1.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.86 1x4m h MET 79 CO 0.12 -0.00 -0.12 0.28 1.06 0.00 0.00 176.91 178.25 1x4m h VAL 80 N -0.00 0.81 -1.00 -2.22 2.07 -1.43 -1.95 116.25 112.54 1x4m h VAL 80 Ca 0.05 -0.65 0.23 0.00 0.82 0.00 0.00 66.70 67.15 1x4m h VAL 80 Cb 0.08 1.17 -0.12 0.00 -1.52 0.00 0.00 31.29 30.90 1x4m h VAL 80 CO -0.11 0.14 0.59 -0.07 0.02 0.00 0.00 177.57 178.13 1x4m h LEU 81 N -0.68 0.69 -0.73 2.57 3.38 -1.31 0.41 115.31 119.65 1x4m h LEU 81 Ca -0.03 0.13 -0.14 0.00 0.09 0.00 0.00 57.88 57.93 1x4m h LEU 81 Cb 0.47 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1x4m h LEU 81 CO 0.05 0.14 -0.59 -0.08 0.09 0.00 0.00 178.44 178.06 1x4m h GLU 82 N 0.62 0.14 -0.61 1.13 4.81 -0.99 -2.00 114.58 117.68 1x4m h GLU 82 Ca 0.62 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.74 1x4m h GLU 82 Cb 1.13 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 1x4m h GLU 82 CO -0.45 0.69 0.32 1.25 -0.73 0.00 0.00 179.01 180.08 1x4m h LEU 83 N 0.11 0.75 0.00 1.64 7.12 0.62 -2.39 115.31 123.16 1x4m h LEU 83 Ca -0.01 -0.06 -0.14 0.00 0.13 0.00 0.00 57.88 57.80 1x4m h LEU 83 Cb 1.07 -0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 40.99 1x4m h LEU 83 CO 0.09 0.62 -1.02 0.16 -0.13 0.00 0.00 178.44 178.15 1x4m h ILE 84 N 0.85 0.69 -3.80 4.05 3.07 -1.33 -3.47 117.51 117.58 1x4m h ILE 84 Ca 0.21 -2.14 -0.44 0.00 1.55 0.00 0.00 64.86 64.05 1x4m h ILE 84 Cb 0.05 2.22 0.17 0.00 -0.27 0.00 0.00 36.82 38.99 1x4m h ILE 84 CO -0.03 0.40 0.22 -0.13 -1.05 0.00 0.00 178.15 177.55 1x4m s ARG 85 N -2.93 -0.17 0.09 0.16 0.52 -0.76 -4.94 118.95 110.92 1x4m s ARG 85 Ca 0.00 0.07 -0.26 0.00 -0.52 0.00 0.00 55.73 55.02 1x4m s ARG 85 Cb 0.08 -1.71 0.09 0.00 0.52 0.00 0.00 34.95 33.93 1x4m s ARG 85 CO 0.79 -3.04 1.12 -0.51 0.02 0.00 0.00 175.30 173.67 1x4m s ASP 86 N -3.97 -0.07 0.17 0.23 1.01 -1.26 -4.96 116.67 107.81 1x4m s ASP 86 Ca 0.69 -0.38 -0.11 0.00 0.71 0.00 0.00 52.55 53.47 1x4m s ASP 86 Cb -0.12 0.36 0.06 0.00 1.01 0.00 0.00 42.92 44.22 1x4m s ASP 86 CO 0.55 -0.68 1.65 1.56 0.21 0.00 0.00 175.17 178.46 1x4m h GLN 87 N 2.00 0.98 -5.87 8.23 4.20 -1.99 -3.40 115.11 119.27 1x4m h GLN 87 Ca -0.27 -0.28 -0.44 0.00 0.06 0.00 0.00 58.65 57.72 1x4m h GLN 87 Cb 1.21 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.86 1x4m h GLN 87 CO 0.30 0.95 1.23 0.20 -0.67 0.00 0.00 178.83 180.84 1x4m s GLY 88 N -3.45 0.09 0.74 3.46 0.00 -1.26 -4.95 107.32 101.96 1x4m s GLY 88 Ca -0.12 -0.74 -0.15 0.00 0.00 0.00 0.00 44.72 43.71 1x4m s GLY 88 CO 0.83 3.54 1.24 -1.26 0.00 0.00 0.00 173.10 177.45 1x4m n SER 89 N 13.51 1.45 -3.72 1.64 2.88 -1.26 -5.04 113.62 123.08 1x4m n SER 89 Ca 0.27 0.69 -0.11 0.00 -1.33 0.00 0.00 58.87 58.38 1x4m n SER 89 Cb 0.51 -1.53 -0.06 0.00 -0.75 0.00 0.00 64.21 62.38 1x4m n SER 89 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x4m s GLY 90 N -1.81 -0.16 0.27 0.46 0.00 -1.26 -5.15 107.32 99.67 1x4m s GLY 90 Ca 0.77 -0.02 -0.29 0.00 0.00 0.00 0.00 44.72 45.18 1x4m s GLY 90 CO 0.46 -0.25 1.25 2.56 0.00 0.00 0.00 173.10 177.12 1x4m s PRO 91 N -3.01 4.44 -0.26 2.90 0.04 -1.26 -5.02 135.00 132.84 1x4m s PRO 91 Ca -0.02 2.06 -0.11 0.00 0.04 0.00 0.00 61.00 62.97 1x4m s PRO 91 Cb 0.01 -3.14 -0.05 0.00 0.04 0.00 0.00 34.50 31.35 1x4m s PRO 91 CO -0.06 -0.11 0.17 0.45 0.04 0.00 0.00 177.00 177.49 1x4m s SER 92 N -0.31 6.06 0.21 6.66 0.15 -1.26 -5.09 113.70 120.13 1x4m s SER 92 Ca 0.50 0.06 0.07 0.00 0.70 0.00 0.00 55.95 57.28 1x4m s SER 92 Cb -0.37 -2.11 -0.04 0.00 -1.71 0.00 0.00 66.02 61.80 1x4m s SER 92 CO 0.45 0.02 0.09 -0.94 1.20 0.00 0.00 173.24 174.06 1x4m s SER 93 N 1.35 5.16 0.00 5.45 1.04 -1.26 -5.26 113.70 120.18 1x4m s SER 93 Ca 0.07 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.18 1x4m s SER 93 Cb -0.15 -1.22 0.00 0.00 0.10 0.00 0.00 66.02 64.76 1x4m s SER 93 CO 0.07 0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.93