#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 6.07 -4.02 1.61 7.64 -1.26 -4.83 113.62 118.83 1x4m n SER 2 Ca 0.00 -2.87 -0.22 0.00 1.01 0.00 0.00 58.87 56.80 1x4m n SER 2 Cb 0.00 -1.15 -0.16 0.00 -1.01 0.00 0.00 64.21 61.89 1x4m n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x4m s SER 3 N 0.85 1.40 0.00 6.43 0.15 -1.26 -5.11 113.70 116.17 1x4m s SER 3 Ca 0.33 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.76 1x4m s SER 3 Cb 0.22 -0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.10 1x4m s SER 3 CO -0.04 0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.08 1x4m n GLY 4 N 3.38 0.08 3.27 9.45 0.00 -1.26 -5.13 105.19 114.98 1x4m n GLY 4 Ca -0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.00 0.08 -0.24 1.61 0.15 -1.26 -5.15 113.70 107.90 1x4m s SER 5 Ca 0.00 -0.78 -0.01 0.00 0.70 0.00 0.00 55.95 55.86 1x4m s SER 5 Cb 0.00 0.39 0.07 0.00 -1.71 0.00 0.00 66.02 64.77 1x4m s SER 5 CO 0.00 -0.82 0.01 -0.44 1.20 0.00 0.00 173.24 173.20 1x4m s SER 6 N -2.92 3.58 0.00 5.45 0.01 -1.26 -5.08 113.70 113.48 1x4m s SER 6 Ca 0.12 -1.18 0.00 0.00 1.31 0.00 0.00 55.95 56.20 1x4m s SER 6 Cb 0.04 -0.92 0.00 0.00 0.21 0.00 0.00 66.02 65.35 1x4m s SER 6 CO -0.05 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 173.91 1x4m n GLY 7 N 4.83 2.05 0.69 3.44 0.00 -1.26 -5.01 105.19 109.92 1x4m n GLY 7 Ca -0.08 -2.09 -0.09 0.00 0.00 0.00 0.00 46.02 43.76 1x4m n GLY 7 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1x4m n HIS 8 N -1.32 0.00 -3.59 1.61 -0.00 -1.26 -5.11 115.22 105.54 1x4m n HIS 8 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.63 1x4m n HIS 8 Cb 0.00 -0.32 -0.05 0.00 -0.00 0.00 0.00 29.99 29.62 1x4m n HIS 8 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1x4m s GLY 9 N -4.94 -0.18 -0.24 -1.41 0.00 -1.26 -5.16 107.32 94.13 1x4m s GLY 9 Ca -0.13 2.25 -0.05 0.00 0.00 0.00 0.00 44.72 46.78 1x4m s GLY 9 CO 0.17 1.13 0.46 0.99 0.00 0.00 0.00 173.10 175.86 1x4m s ASP 10 N -0.96 -0.39 0.00 1.64 1.01 -1.26 -5.15 116.67 111.57 1x4m s ASP 10 Ca 0.01 0.85 0.00 0.00 0.71 0.00 0.00 52.55 54.12 1x4m s ASP 10 Cb -0.01 1.53 0.00 0.00 1.01 0.00 0.00 42.92 45.45 1x4m s ASP 10 CO -0.01 -0.25 0.00 0.61 0.21 0.00 0.00 175.17 175.73 1x4m n GLY 11 N 5.40 3.69 3.66 0.21 0.00 -1.26 -5.11 105.19 111.78 1x4m n GLY 11 Ca -0.07 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.93 4.20 -0.30 1.61 0.04 -1.26 -4.95 135.00 132.41 1x4m s PRO 12 Ca 0.00 2.01 -0.17 0.00 0.04 0.00 0.00 61.00 62.88 1x4m s PRO 12 Cb 0.00 -3.89 0.18 0.00 0.04 0.00 0.00 34.50 30.83 1x4m s PRO 12 CO 0.00 -0.78 1.18 0.20 0.04 0.00 0.00 177.00 177.64 1x4m s GLY 13 N 2.81 -0.10 0.11 0.56 0.00 -1.26 -5.13 107.32 104.30 1x4m s GLY 13 Ca 0.67 3.11 -0.31 0.00 0.00 0.00 0.00 44.72 48.19 1x4m s GLY 13 CO 0.25 3.84 1.88 1.16 0.00 0.00 0.00 173.10 180.23 1x4m n ASN 14 N 5.36 4.11 -4.79 1.64 6.94 -1.26 -4.78 115.26 122.48 1x4m n ASN 14 Ca -0.08 0.97 -0.39 0.00 -0.02 0.00 0.00 54.58 55.05 1x4m n ASN 14 Cb 0.55 -1.55 -0.06 0.00 -2.36 0.00 0.00 39.78 36.36 1x4m n ASN 14 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1x4m s ALA 15 N 3.12 3.49 -0.01 -2.53 0.00 -0.43 -4.87 121.76 120.53 1x4m s ALA 15 Ca 0.83 0.25 0.01 0.00 0.00 0.00 0.00 51.96 53.05 1x4m s ALA 15 Cb -0.46 -2.85 0.01 0.00 0.00 0.00 0.00 23.12 19.82 1x4m s ALA 15 CO 0.38 0.33 -0.02 0.54 0.00 0.00 0.00 175.76 176.99 1x4m s VAL 16 N -1.17 0.22 -0.09 0.00 0.11 -1.26 -0.28 120.40 117.93 1x4m s VAL 16 Ca 0.34 -0.05 0.01 0.00 -2.93 0.00 0.00 61.98 59.36 1x4m s VAL 16 Cb -0.22 -0.24 0.02 0.00 -1.53 0.00 0.00 36.38 34.41 1x4m s VAL 16 CO 0.24 0.10 -0.11 -1.10 -3.33 0.00 0.00 175.10 170.90 1x4m s GLN 17 N 0.35 1.66 -0.13 1.54 1.11 0.13 -4.95 119.66 119.38 1x4m s GLN 17 Ca -0.03 -0.36 -0.05 0.00 0.01 0.00 0.00 55.36 54.93 1x4m s GLN 17 Cb -0.06 -1.50 -0.04 0.00 -1.01 0.00 0.00 33.01 30.40 1x4m s GLN 17 CO -0.01 -0.09 0.04 -1.21 0.01 0.00 0.00 175.29 174.04 1x4m s GLU 18 N 1.08 3.46 0.11 2.91 2.02 -1.26 -0.60 118.70 126.42 1x4m s GLU 18 Ca -0.07 -0.34 0.03 0.00 0.02 0.00 0.00 54.97 54.61 1x4m s GLU 18 Cb -0.14 -3.02 -0.04 0.00 0.10 0.00 0.00 34.13 31.03 1x4m s GLU 18 CO -0.01 0.54 -0.09 0.96 0.02 0.00 0.00 175.26 176.68 1x4m s ILE 19 N -0.39 0.89 -0.39 -1.63 -0.00 -0.31 -4.94 121.20 114.42 1x4m s ILE 19 Ca 0.09 -1.81 -0.20 0.00 -0.00 0.00 0.00 60.65 58.73 1x4m s ILE 19 Cb -0.12 -1.54 0.01 0.00 -0.00 0.00 0.00 42.46 40.81 1x4m s ILE 19 CO 0.02 -0.70 0.60 0.00 -0.00 0.00 0.00 174.94 174.86 1x4m s MET 20 N -3.30 3.50 -0.10 0.37 0.23 -1.26 0.23 119.30 118.97 1x4m s MET 20 Ca 0.09 -0.18 -0.01 0.00 -1.03 0.00 0.00 55.69 54.56 1x4m s MET 20 Cb 0.01 -3.87 -0.03 0.00 -1.53 0.00 0.00 34.83 29.41 1x4m s MET 20 CO -0.01 -0.82 -0.05 0.42 -2.03 0.00 0.00 175.02 172.52 1x4m s ILE 21 N 2.65 3.80 0.10 3.16 -1.09 -0.22 -4.92 121.20 124.68 1x4m s ILE 21 Ca 0.22 -0.42 -0.31 0.00 -2.23 0.00 0.00 60.65 57.91 1x4m s ILE 21 Cb -0.15 -2.60 -0.07 0.00 -1.58 0.00 0.00 42.46 38.06 1x4m s ILE 21 CO 0.16 0.56 1.37 -2.16 -1.23 0.00 0.00 174.94 173.64 1x4m s PRO 22 N -0.36 4.33 0.34 2.79 0.04 -1.26 0.60 135.00 141.47 1x4m s PRO 22 Ca 0.06 2.03 0.16 0.00 0.04 0.00 0.00 61.00 63.29 1x4m s PRO 22 Cb -0.12 -3.28 0.85 0.00 0.04 0.00 0.00 34.50 31.99 1x4m s PRO 22 CO 0.02 -0.43 1.40 0.00 0.04 0.00 0.00 177.00 178.04 1x4m h ALA 23 N 6.88 1.16 0.00 8.56 0.00 -1.93 0.23 119.26 134.15 1x4m h ALA 23 Ca -0.42 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1x4m h ALA 23 Cb 1.21 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1x4m h ALA 23 CO 0.86 -0.16 -0.02 0.77 0.00 0.00 0.00 179.25 180.71 1x4m h SER 24 N 0.00 0.00 1.61 0.00 0.02 -1.98 -3.34 113.55 109.87 1x4m h SER 24 Ca 0.00 -0.79 0.00 0.00 -0.84 0.00 0.00 61.79 60.16 1x4m h SER 24 Cb 0.47 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.01 1x4m h SER 24 CO 0.00 0.90 0.00 0.11 -1.14 0.00 0.00 176.83 176.70 1x4m h LYS 25 N -1.00 0.00 -0.85 3.45 1.79 -1.57 -3.29 116.57 115.11 1x4m h LYS 25 Ca -0.00 0.00 0.14 0.00 -2.18 0.00 0.00 60.65 58.61 1x4m h LYS 25 Cb 0.80 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.36 1x4m h LYS 25 CO -0.00 0.00 0.44 0.00 -1.08 0.00 0.00 179.45 178.80 1x4m h ALA 26 N 2.26 1.27 0.00 3.86 0.00 -0.72 0.47 119.26 126.41 1x4m h ALA 26 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1x4m h ALA 26 Cb 0.81 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1x4m h ALA 26 CO 0.00 -0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.58 1x4m n GLY 27 N -1.32 -1.10 0.13 0.00 0.00 -1.24 -2.26 105.19 99.40 1x4m n GLY 27 Ca 0.17 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.38 2.32 0.24 0.99 4.32 0.15 -2.57 117.00 121.06 1x4m n LEU 28 Ca 0.08 0.21 0.12 0.00 -0.02 0.00 0.00 56.01 56.40 1x4m n LEU 28 Cb 0.20 -0.92 0.54 0.00 -1.62 0.00 0.00 43.42 41.63 1x4m n LEU 28 CO 0.18 0.66 0.86 1.62 -1.22 0.00 0.00 177.39 179.49 1x4m h VAL 29 N -0.57 0.44 0.05 4.08 3.04 -1.02 -3.19 116.25 119.09 1x4m h VAL 29 Ca -0.56 -0.92 -0.37 0.00 -1.01 0.00 0.00 66.70 63.84 1x4m h VAL 29 Cb 1.70 1.66 -0.05 0.00 -2.01 0.00 0.00 31.29 32.59 1x4m h VAL 29 CO -0.22 0.16 -2.22 -0.38 -1.01 0.00 0.00 177.57 173.91 1x4m n ILE 30 N -3.36 1.62 -3.04 3.17 5.41 -0.96 -0.82 119.36 121.37 1x4m n ILE 30 Ca -0.00 -0.64 0.00 0.00 1.00 0.00 0.00 62.75 63.11 1x4m n ILE 30 Cb 0.38 -1.48 0.00 0.00 -0.71 0.00 0.00 39.64 37.83 1x4m n ILE 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1x4m n GLY 31 N 2.07 -1.24 3.48 7.39 0.00 -1.06 0.41 105.19 116.25 1x4m n GLY 31 Ca -0.37 -1.42 -0.44 0.00 0.00 0.00 0.00 46.02 43.78 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 0.00 4.04 0.00 1.61 1.02 -1.26 -4.26 119.74 120.88 1x4m s LYS 32 Ca 0.00 -2.42 0.00 0.00 0.02 0.00 0.00 55.97 53.57 1x4m s LYS 32 Cb 0.00 -5.14 0.00 0.00 -0.52 0.00 0.00 37.83 32.17 1x4m s LYS 32 CO 0.00 -1.85 0.00 0.41 -0.92 0.00 0.00 175.35 172.99 1x4m n GLY 33 N 4.44 0.60 3.36 -3.33 0.00 -1.26 -4.37 105.19 104.62 1x4m n GLY 33 Ca 0.38 -0.39 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.00 -0.62 0.14 -0.02 0.00 -1.15 -4.95 105.19 97.59 1x4m n GLY 34 Ca 0.00 0.26 -0.20 0.00 0.00 0.00 0.00 46.02 46.08 1x4m n GLY 34 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x4m n GLU 35 N -3.81 0.73 -0.09 1.61 -0.58 0.17 -3.86 120.64 114.80 1x4m n GLU 35 Ca -0.21 0.23 -0.13 0.00 -0.42 0.00 0.00 57.16 56.62 1x4m n GLU 35 Cb 0.65 -1.66 -0.06 0.00 -0.57 0.00 0.00 31.44 29.80 1x4m n GLU 35 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1x4m n THR 36 N -3.41 1.48 -0.28 2.62 -1.04 -0.52 -4.07 114.28 109.05 1x4m n THR 36 Ca -0.36 0.09 0.07 0.00 -2.04 0.00 0.00 64.05 61.81 1x4m n THR 36 Cb 1.03 -2.22 0.22 0.00 -1.82 0.00 0.00 70.33 67.54 1x4m n THR 36 CO 0.00 0.00 0.00 -0.29 -0.64 0.00 0.00 175.07 174.14 1x4m h ILE 37 N -1.00 0.68 -0.98 12.58 2.10 -1.01 0.73 117.51 130.61 1x4m h ILE 37 Ca -0.18 -0.18 0.16 0.00 1.08 0.00 0.00 64.86 65.73 1x4m h ILE 37 Cb 0.91 0.10 -0.09 0.00 -1.09 0.00 0.00 36.82 36.65 1x4m h ILE 37 CO -0.11 0.10 0.62 0.50 -1.08 0.00 0.00 178.15 178.17 1x4m h LYS 38 N 0.54 0.79 0.00 2.19 3.64 -1.76 0.52 116.57 122.49 1x4m h LYS 38 Ca 0.45 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 59.60 1x4m h LYS 38 Cb 0.68 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.29 1x4m h LYS 38 CO -0.39 0.52 -0.87 1.96 -2.27 0.00 0.00 179.45 178.41 1x4m h GLN 39 N 0.82 0.00 0.00 1.90 1.08 -1.06 -3.15 115.11 114.70 1x4m h GLN 39 Ca 0.53 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.72 1x4m h GLN 39 Cb 0.75 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.18 1x4m h GLN 39 CO -0.30 0.87 -0.01 -0.07 -0.95 0.00 0.00 178.83 178.37 1x4m h LEU 40 N 0.00 0.00 -0.70 1.46 3.38 0.42 -1.10 115.31 118.76 1x4m h LEU 40 Ca -0.01 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 1x4m h LEU 40 Cb 1.57 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.30 1x4m h LEU 40 CO 0.11 0.01 -0.64 1.56 0.09 0.00 0.00 178.44 179.57 1x4m h GLN 41 N 0.00 0.05 0.11 1.13 4.20 -1.43 -3.14 115.11 116.02 1x4m h GLN 41 Ca -0.00 -0.03 -0.20 0.00 0.06 0.00 0.00 58.65 58.47 1x4m h GLN 41 Cb 0.10 0.01 0.02 0.00 0.30 0.00 0.00 27.48 27.91 1x4m h GLN 41 CO 0.00 0.67 -0.87 0.93 -0.67 0.00 0.00 178.83 178.89 1x4m h GLU 42 N 0.03 0.39 -0.95 1.46 4.39 -1.37 1.62 114.58 120.15 1x4m h GLU 42 Ca -0.01 -0.57 0.18 0.00 0.34 0.00 0.00 59.36 59.30 1x4m h GLU 42 Cb 1.13 0.20 -0.10 0.00 -0.10 0.00 0.00 28.75 29.88 1x4m h GLU 42 CO 0.09 1.24 0.54 0.00 -1.16 0.00 0.00 179.01 179.72 1x4m h ARG 43 N -0.19 0.68 0.00 2.33 3.08 -1.52 -2.63 114.38 116.13 1x4m h ARG 43 Ca -0.14 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 59.73 1x4m h ARG 43 Cb 1.64 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 31.51 1x4m h ARG 43 CO 0.16 0.45 -1.93 0.00 -1.07 0.00 0.00 179.97 177.59 1x4m n ALA 44 N -2.37 2.13 0.00 0.04 0.00 -1.19 -5.00 120.51 114.12 1x4m n ALA 44 Ca 0.21 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1x4m n ALA 44 Cb 0.53 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.64 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 1.78 2.20 3.92 0.00 0.00 0.55 -4.94 105.19 108.70 1x4m n GLY 45 Ca -0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.35 3.23 -0.13 1.61 -7.23 -0.90 -4.84 120.40 109.80 1x4m s VAL 46 Ca 0.00 -0.00 -0.11 0.00 -1.81 0.00 0.00 61.98 60.05 1x4m s VAL 46 Cb 0.00 -3.33 -0.05 0.00 0.56 0.00 0.00 36.38 33.57 1x4m s VAL 46 CO 0.00 -0.35 0.24 -0.75 -0.31 0.00 0.00 175.10 173.93 1x4m s LYS 47 N -5.12 3.96 -0.15 4.82 2.20 0.14 -4.18 119.74 121.40 1x4m s LYS 47 Ca 0.56 0.03 -0.00 0.00 -0.36 0.00 0.00 55.97 56.20 1x4m s LYS 47 Cb -0.11 -3.33 -0.01 0.00 -1.51 0.00 0.00 37.83 32.88 1x4m s LYS 47 CO 0.46 0.47 -0.13 -1.64 -0.36 0.00 0.00 175.35 174.15 1x4m s MET 48 N -0.22 3.31 -0.07 4.03 -1.94 -1.26 -1.16 119.30 121.99 1x4m s MET 48 Ca 0.16 -0.71 -0.03 0.00 -1.71 0.00 0.00 55.69 53.40 1x4m s MET 48 Cb -0.13 -2.67 0.04 0.00 2.01 0.00 0.00 34.83 34.08 1x4m s MET 48 CO 0.04 0.07 0.12 0.08 -0.01 0.00 0.00 175.02 175.33 1x4m s VAL 49 N 0.70 -0.20 -0.10 -6.03 1.01 -0.26 -4.93 120.40 110.59 1x4m s VAL 49 Ca -0.06 0.37 -0.30 0.00 0.00 0.00 0.00 61.98 62.00 1x4m s VAL 49 Cb -0.15 -0.24 -0.02 0.00 0.00 0.00 0.00 36.38 35.97 1x4m s VAL 49 CO 0.02 0.15 1.09 -0.04 0.00 0.00 0.00 175.10 176.32 1x4m s MET 50 N 2.24 4.37 -0.23 2.72 -1.94 -1.26 -0.35 119.30 124.85 1x4m s MET 50 Ca 0.04 1.50 -0.14 0.00 -1.71 0.00 0.00 55.69 55.38 1x4m s MET 50 Cb -0.12 -3.57 -0.04 0.00 2.01 0.00 0.00 34.83 33.11 1x4m s MET 50 CO -0.05 -0.41 0.32 0.42 -0.01 0.00 0.00 175.02 175.30 1x4m s ILE 51 N 2.27 5.23 -0.22 2.53 -1.09 0.15 -4.91 121.20 125.16 1x4m s ILE 51 Ca 0.51 0.51 -0.02 0.00 -2.23 0.00 0.00 60.65 59.42 1x4m s ILE 51 Cb -0.20 -3.66 -0.19 0.00 -1.58 0.00 0.00 42.46 36.83 1x4m s ILE 51 CO 0.18 0.24 -0.06 1.67 -1.23 0.00 0.00 174.94 175.74 1x4m n GLN 52 N 4.72 0.67 -3.83 2.79 0.00 -1.26 -3.13 117.38 117.34 1x4m n GLN 52 Ca -0.10 0.20 -0.36 0.00 -0.00 0.00 0.00 57.00 56.74 1x4m n GLN 52 Cb 0.51 -1.58 -0.13 0.00 0.00 0.00 0.00 30.24 29.05 1x4m n GLN 52 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1x4m s ASP 53 N -6.74 5.11 0.00 1.69 2.15 -1.26 -4.92 116.67 112.69 1x4m s ASP 53 Ca -0.32 -1.57 0.00 0.00 0.43 0.00 0.00 52.55 51.10 1x4m s ASP 53 Cb 0.09 -1.78 0.00 0.00 -0.30 0.00 0.00 42.92 40.92 1x4m s ASP 53 CO 0.64 -0.39 0.00 0.61 -0.17 0.00 0.00 175.17 175.86 1x4m n GLY 54 N 4.64 -0.37 3.73 2.66 0.00 -1.26 -5.12 105.19 109.46 1x4m n GLY 54 Ca -0.08 0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 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 0.10 4.38 0.00 1.61 0.04 -1.26 -4.89 135.00 134.98 1x4m s PRO 55 Ca 0.00 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 62.80 1x4m s PRO 55 Cb 0.00 -3.21 -0.14 0.00 0.04 0.00 0.00 34.50 31.18 1x4m s PRO 55 CO 0.00 -0.29 0.76 1.04 0.04 0.00 0.00 177.00 178.55 1x4m n GLN 56 N 2.97 0.00 -1.15 4.56 6.02 -1.26 -4.48 117.38 124.05 1x4m n GLN 56 Ca 0.07 0.00 -0.47 0.00 -0.01 0.00 0.00 57.00 56.59 1x4m n GLN 56 Cb 0.43 -1.08 -0.08 0.00 1.02 0.00 0.00 30.24 30.54 1x4m n GLN 56 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1x4m n ASN 57 N 1.10 0.77 -3.58 1.08 6.94 -1.26 -4.90 115.26 115.41 1x4m n ASN 57 Ca 0.14 0.75 -0.16 0.00 -0.02 0.00 0.00 54.58 55.30 1x4m n ASN 57 Cb 0.06 -0.64 -0.06 0.00 -2.36 0.00 0.00 39.78 36.78 1x4m n ASN 57 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1x4m s THR 58 N 2.79 0.00 0.00 5.53 -1.32 -1.26 -5.14 115.64 116.23 1x4m s THR 58 Ca 0.79 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.27 1x4m s THR 58 Cb -1.08 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 68.91 1x4m s THR 58 CO 0.55 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.57 1x4m n GLY 59 N 1.74 -0.08 2.77 6.08 0.00 -1.26 -4.57 105.19 109.86 1x4m n GLY 59 Ca -0.16 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.32 2.19 -0.29 4.61 0.00 -1.26 -5.07 121.76 120.62 1x4m s ALA 60 Ca 0.00 -2.45 -0.23 0.00 0.00 0.00 0.00 51.96 49.28 1x4m s ALA 60 Cb 0.00 -1.86 0.17 0.00 0.00 0.00 0.00 23.12 21.43 1x4m s ALA 60 CO 0.00 -1.94 1.28 0.16 0.00 0.00 0.00 175.76 175.26 1x4m s ASP 61 N 0.63 -0.19 -0.31 0.00 1.47 -1.26 -4.73 116.67 112.27 1x4m s ASP 61 Ca 0.15 0.36 -0.21 0.00 1.18 0.00 0.00 52.55 54.04 1x4m s ASP 61 Cb -0.23 0.49 -0.01 0.00 -0.34 0.00 0.00 42.92 42.84 1x4m s ASP 61 CO -0.06 -0.06 0.64 -0.54 0.68 0.00 0.00 175.17 175.83 1x4m s LYS 62 N 0.28 3.88 -0.34 2.11 -0.14 0.20 -4.79 119.74 120.94 1x4m s LYS 62 Ca 0.03 0.29 -0.29 0.00 -1.36 0.00 0.00 55.97 54.65 1x4m s LYS 62 Cb -0.05 -3.74 -0.01 0.00 -1.68 0.00 0.00 37.83 32.35 1x4m s LYS 62 CO -0.12 -0.60 1.70 -1.25 -0.76 0.00 0.00 175.35 174.31 1x4m s PRO 63 N 2.65 3.42 -0.18 -1.68 0.04 -1.18 -1.06 135.00 137.01 1x4m s PRO 63 Ca 0.26 1.32 -0.21 0.00 0.04 0.00 0.00 61.00 62.40 1x4m s PRO 63 Cb -0.15 -4.15 -0.03 0.00 0.04 0.00 0.00 34.50 30.22 1x4m s PRO 63 CO 0.12 -1.76 0.65 -1.17 0.04 0.00 0.00 177.00 174.89 1x4m s LEU 64 N 6.44 4.17 -0.26 -3.56 2.96 0.13 -0.68 118.68 127.90 1x4m s LEU 64 Ca 0.75 0.91 -0.12 0.00 -0.22 0.00 0.00 54.13 55.45 1x4m s LEU 64 Cb -0.20 -2.94 -0.05 0.00 0.50 0.00 0.00 46.19 43.50 1x4m s LEU 64 CO 0.33 -0.26 0.22 -0.60 -1.32 0.00 0.00 176.35 174.73 1x4m s ARG 65 N 1.75 4.03 -0.37 1.98 3.52 0.53 -1.17 118.95 129.21 1x4m s ARG 65 Ca 0.31 -0.21 -0.02 0.00 -0.13 0.00 0.00 55.73 55.68 1x4m s ARG 65 Cb -0.16 -3.60 0.09 0.00 -1.56 0.00 0.00 34.95 29.72 1x4m s ARG 65 CO 0.11 -0.08 0.14 0.42 -0.81 0.00 0.00 175.30 175.08 1x4m s ILE 66 N 1.48 3.16 0.15 4.11 1.01 0.24 -1.10 121.20 130.25 1x4m s ILE 66 Ca 0.09 -1.88 -0.01 0.00 0.00 0.00 0.00 60.65 58.85 1x4m s ILE 66 Cb -0.15 -3.08 -0.04 0.00 0.01 0.00 0.00 42.46 39.20 1x4m s ILE 66 CO 0.08 -0.52 0.34 0.42 0.00 0.00 0.00 174.94 175.26 1x4m s THR 67 N 1.16 5.24 0.00 2.92 -4.23 -0.31 -0.69 115.64 119.73 1x4m s THR 67 Ca 0.05 -0.30 0.00 0.00 -1.18 0.00 0.00 61.69 60.25 1x4m s THR 67 Cb -0.22 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 69.94 1x4m s THR 67 CO -0.03 -0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.61 1x4m n GLY 68 N -0.28 -0.35 3.85 3.99 0.00 0.61 0.23 105.19 113.25 1x4m n GLY 68 Ca -0.04 -0.10 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 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 5.72 0.36 1.61 1.01 -1.26 -1.31 116.67 118.80 1x4m s ASP 69 Ca 0.00 -0.13 0.15 0.00 0.71 0.00 0.00 52.55 53.29 1x4m s ASP 69 Cb 0.00 -1.53 0.70 0.00 1.01 0.00 0.00 42.92 43.09 1x4m s ASP 69 CO 0.00 -0.00 1.77 1.55 0.21 0.00 0.00 175.17 178.70 1x4m h PRO 70 N 1.78 0.00 0.00 8.23 0.13 -1.86 0.69 132.00 140.97 1x4m h PRO 70 Ca -0.49 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.54 1x4m h PRO 70 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1x4m h PRO 70 CO 0.62 0.41 -1.33 0.98 -0.23 0.00 0.00 178.00 178.45 1x4m n TYR 71 N -3.81 0.89 -0.09 1.56 4.19 -1.26 -4.13 117.16 114.51 1x4m n TYR 71 Ca -0.01 0.28 -0.14 0.00 3.31 0.00 0.00 57.90 61.34 1x4m n TYR 71 Cb 0.47 -1.01 -0.05 0.00 0.49 0.00 0.00 39.34 39.24 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 -2.77 0.52 -0.50 2.98 5.02 -1.14 -3.88 118.16 118.39 1x4m n LYS 72 Ca -0.07 0.41 0.42 0.00 -2.02 0.00 0.00 58.31 57.05 1x4m n LYS 72 Cb 0.73 -1.60 0.69 0.00 -0.02 0.00 0.00 35.03 34.82 1x4m n LYS 72 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1x4m n VAL 73 N -4.47 -0.20 0.04 -0.18 0.31 0.24 0.23 118.33 114.29 1x4m n VAL 73 Ca -0.22 1.71 -0.16 0.00 -0.01 0.00 0.00 64.34 65.66 1x4m n VAL 73 Cb 0.53 -2.81 -0.06 0.00 -0.91 0.00 0.00 33.84 30.58 1x4m n VAL 73 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1x4m h GLN 74 N 0.00 0.59 -0.22 5.55 1.08 -1.74 -2.62 115.11 117.76 1x4m h GLN 74 Ca 0.87 -0.58 -0.08 0.00 -1.45 0.00 0.00 58.65 57.41 1x4m h GLN 74 Cb 2.94 0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 30.52 1x4m h GLN 74 CO -0.38 1.20 -0.16 1.96 -0.95 0.00 0.00 178.83 180.50 1x4m h GLN 75 N 0.36 0.49 -0.03 1.46 1.08 0.28 -3.25 115.11 115.50 1x4m h GLN 75 Ca -0.09 -0.24 -0.00 0.00 -1.45 0.00 0.00 58.65 56.88 1x4m h GLN 75 Cb 1.55 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.98 1x4m h GLN 75 CO 0.17 0.80 0.02 0.00 -0.95 0.00 0.00 178.83 178.87 1x4m h ALA 76 N 0.68 0.03 -0.89 3.87 0.00 -0.95 -2.92 119.26 119.08 1x4m h ALA 76 Ca 0.04 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.11 1x4m h ALA 76 Cb 0.68 -0.01 -0.17 0.00 0.00 0.00 0.00 17.79 18.29 1x4m h ALA 76 CO 0.04 -0.45 -0.21 1.17 0.00 0.00 0.00 179.25 179.81 1x4m n LYS 77 N -5.05 -0.08 -0.14 0.00 4.81 -0.99 0.12 118.16 116.83 1x4m n LYS 77 Ca -0.07 1.39 -0.08 0.00 -0.87 0.00 0.00 58.31 58.68 1x4m n LYS 77 Cb 0.05 -2.08 0.00 0.00 0.02 0.00 0.00 35.03 33.02 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 0.60 -0.69 1.64 5.08 -1.59 0.13 114.58 119.75 1x4m h GLU 78 Ca 0.44 -0.08 0.20 0.00 -1.00 0.00 0.00 59.36 58.92 1x4m h GLU 78 Cb 0.69 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 1x4m h GLU 78 CO -0.91 0.49 0.52 0.52 -1.00 0.00 0.00 179.01 178.63 1x4m h MET 79 N 0.55 0.00 0.00 2.33 2.86 0.97 -0.39 114.93 121.26 1x4m h MET 79 Ca 0.15 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.69 1x4m h MET 79 Cb 0.07 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 1x4m h MET 79 CO -0.02 0.00 -0.84 0.28 1.06 0.00 0.00 176.91 177.39 1x4m n VAL 80 N -4.23 1.47 -0.34 -2.22 0.31 -0.72 -3.68 118.33 108.92 1x4m n VAL 80 Ca 0.14 0.11 0.22 0.00 -0.01 0.00 0.00 64.34 64.80 1x4m n VAL 80 Cb 0.78 -2.25 0.45 0.00 -0.91 0.00 0.00 33.84 31.92 1x4m n VAL 80 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1x4m h LEU 81 N -1.00 0.56 -1.12 7.52 3.38 -0.46 1.24 115.31 125.43 1x4m h LEU 81 Ca -0.15 0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 1x4m h LEU 81 Cb 0.84 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1x4m h LEU 81 CO -0.09 -0.07 -0.39 -0.08 0.09 0.00 0.00 178.44 177.90 1x4m h GLU 82 N 0.39 0.00 0.35 1.13 4.81 -1.26 -0.71 114.58 119.29 1x4m h GLU 82 Ca 0.71 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.92 1x4m h GLU 82 Cb 1.56 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.94 1x4m h GLU 82 CO -0.57 0.39 -0.17 1.25 -0.73 0.00 0.00 179.01 179.18 1x4m h LEU 83 N 0.00 -0.40 -0.77 1.64 7.12 0.15 -3.15 115.31 119.90 1x4m h LEU 83 Ca -0.00 -0.12 -0.12 0.00 0.13 0.00 0.00 57.88 57.76 1x4m h LEU 83 Cb 0.79 0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 41.01 1x4m h LEU 83 CO 0.05 -0.09 -0.59 0.16 -0.13 0.00 0.00 178.44 177.84 1x4m h ILE 84 N -0.71 1.35 -3.65 4.05 -0.00 -1.46 -3.45 117.51 113.64 1x4m h ILE 84 Ca -0.05 -2.05 -0.46 0.00 -0.00 0.00 0.00 64.86 62.30 1x4m h ILE 84 Cb 0.49 2.13 0.19 0.00 -0.00 0.00 0.00 36.82 39.63 1x4m h ILE 84 CO 0.08 0.57 0.12 -0.13 -0.00 0.00 0.00 178.15 178.79 1x4m s ARG 85 N -3.58 -0.06 -0.26 0.16 0.52 -0.28 -4.92 118.95 110.53 1x4m s ARG 85 Ca -0.01 0.83 -0.11 0.00 -0.52 0.00 0.00 55.73 55.92 1x4m s ARG 85 Cb 0.12 -1.66 0.10 0.00 0.52 0.00 0.00 34.95 34.04 1x4m s ARG 85 CO 0.75 -3.14 0.59 -0.51 0.02 0.00 0.00 175.30 173.01 1x4m s ASP 86 N -2.91 -0.85 -0.19 0.23 1.11 -1.26 -4.94 116.67 107.86 1x4m s ASP 86 Ca 0.67 1.37 -0.04 0.00 0.18 0.00 0.00 52.55 54.72 1x4m s ASP 86 Cb -0.22 1.68 0.07 0.00 1.07 0.00 0.00 42.92 45.51 1x4m s ASP 86 CO 0.61 -0.22 0.08 -1.10 1.18 0.00 0.00 175.17 175.72 1x4m s GLN 87 N 2.30 0.21 0.00 8.23 -1.52 -1.26 -4.90 119.66 122.72 1x4m s GLN 87 Ca -0.07 -0.22 0.00 0.00 -1.95 0.00 0.00 55.36 53.12 1x4m s GLN 87 Cb -0.10 -1.81 0.00 0.00 -0.22 0.00 0.00 33.01 30.88 1x4m s GLN 87 CO -0.17 -0.71 0.00 0.41 -0.25 0.00 0.00 175.29 174.57 1x4m n GLY 88 N 5.22 0.74 3.41 3.09 0.00 -1.26 -4.91 105.19 111.48 1x4m n GLY 88 Ca -0.07 -0.37 -0.52 0.00 0.00 0.00 0.00 46.02 45.06 1x4m n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x4m n SER 89 N -1.20 1.92 0.00 1.61 3.41 -1.26 -4.75 113.62 113.35 1x4m n SER 89 Ca 0.00 0.45 0.00 0.00 -0.26 0.00 0.00 58.87 59.06 1x4m n SER 89 Cb 0.46 -1.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.20 1x4m n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x4m n GLY 90 N 6.70 1.72 0.00 5.00 0.00 -1.26 -4.99 105.19 112.36 1x4m n GLY 90 Ca 0.43 -0.62 0.08 0.00 0.00 0.00 0.00 46.02 45.91 1x4m n GLY 90 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4m n PRO 91 N 0.00 0.43 -0.10 1.61 -0.04 -1.26 -3.02 135.00 132.61 1x4m n PRO 91 Ca 0.00 0.03 -0.07 0.00 -0.04 0.00 0.00 63.50 63.43 1x4m n PRO 91 Cb 0.00 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.07 1x4m n PRO 91 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1x4m h SER 92 N 0.00 0.79 -5.20 3.54 0.02 -1.94 -3.45 113.55 107.32 1x4m h SER 92 Ca 0.00 -0.25 -0.11 0.00 -0.84 0.00 0.00 61.79 60.59 1x4m h SER 92 Cb 0.03 -0.21 -0.15 0.00 0.14 0.00 0.00 62.40 62.20 1x4m h SER 92 CO 0.00 0.94 -0.59 -0.94 -1.14 0.00 0.00 176.83 175.09 1x4m s SER 93 N -6.70 0.37 0.00 3.07 1.04 -1.17 -5.21 113.70 105.09 1x4m s SER 93 Ca -0.09 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.47 1x4m s SER 93 Cb 0.14 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1x4m s SER 93 CO 0.83 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 175.04