#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4m s SER 2 N 0.00 -0.20 0.17 1.61 1.04 -1.26 -5.18 113.70 109.89 1x4m s SER 2 Ca 0.00 -0.05 -0.23 0.00 0.48 0.00 0.00 55.95 56.14 1x4m s SER 2 Cb 0.00 0.37 0.06 0.00 0.10 0.00 0.00 66.02 66.55 1x4m s SER 2 CO 0.00 -0.59 0.74 -0.94 0.98 0.00 0.00 173.24 173.43 1x4m s SER 3 N -1.85 -0.38 0.00 7.02 1.04 -1.26 -5.12 113.70 113.15 1x4m s SER 3 Ca -0.07 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.09 1x4m s SER 3 Cb -0.02 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1x4m s SER 3 CO -0.01 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 173.79 1x4m n GLY 4 N -0.40 -1.96 3.77 7.32 0.00 -1.26 -5.02 105.19 107.64 1x4m n GLY 4 Ca -0.10 0.73 -0.29 0.00 0.00 0.00 0.00 46.02 46.37 1x4m n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x4m n SER 5 N -0.00 -4.38 -3.84 1.61 3.41 -1.26 -4.95 113.62 104.21 1x4m n SER 5 Ca 0.00 -0.69 -0.27 0.00 -0.26 0.00 0.00 58.87 57.66 1x4m n SER 5 Cb 0.00 -3.54 -0.17 0.00 -0.26 0.00 0.00 64.21 60.25 1x4m n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x4m s SER 6 N -3.10 2.56 0.00 4.04 0.15 -1.26 -5.09 113.70 110.99 1x4m s SER 6 Ca 0.59 -0.55 0.00 0.00 0.70 0.00 0.00 55.95 56.69 1x4m s SER 6 Cb -0.30 -0.76 0.00 0.00 -1.71 0.00 0.00 66.02 63.25 1x4m s SER 6 CO 0.73 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.58 1x4m n GLY 7 N 4.97 4.87 3.81 9.45 0.00 -1.26 -5.20 105.19 121.83 1x4m n GLY 7 Ca -0.10 -0.61 -0.04 0.00 0.00 0.00 0.00 46.02 45.26 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 2.10 -0.03 0.00 1.61 0.00 -1.26 -5.18 115.29 112.53 1x4m s HIS 8 Ca 0.00 -0.38 0.00 0.00 -3.00 0.00 0.00 55.06 51.68 1x4m s HIS 8 Cb 0.00 0.70 0.00 0.00 -4.00 0.00 0.00 32.58 29.28 1x4m s HIS 8 CO 0.00 -1.01 0.00 0.41 -1.00 0.00 0.00 174.74 173.14 1x4m n GLY 9 N -0.56 1.26 3.63 -1.38 0.00 -1.26 -5.13 105.19 101.76 1x4m n GLY 9 Ca -0.05 0.15 -0.07 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.27 0.00 1.61 1.01 -1.26 -4.99 116.67 112.77 1x4m s ASP 10 Ca 0.00 0.46 0.00 0.00 0.71 0.00 0.00 52.55 53.72 1x4m s ASP 10 Cb 0.00 0.45 0.00 0.00 1.01 0.00 0.00 42.92 44.38 1x4m s ASP 10 CO 0.00 -0.13 0.00 0.61 0.21 0.00 0.00 175.17 175.86 1x4m n GLY 11 N 1.56 1.54 0.00 0.21 0.00 -1.26 -5.10 105.19 102.14 1x4m n GLY 11 Ca -0.10 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1x4m n GLY 11 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4m n PRO 12 N -0.34 0.12 -1.11 1.61 -0.04 -1.26 -4.86 135.00 129.12 1x4m n PRO 12 Ca 0.00 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.51 1x4m n PRO 12 Cb 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.43 1x4m n PRO 12 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x4m n GLY 13 N 2.43 -3.51 3.41 0.55 0.00 -1.26 -4.88 105.19 101.93 1x4m n GLY 13 Ca 0.00 -1.05 -0.35 0.00 0.00 0.00 0.00 46.02 44.62 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 -5.43 4.80 0.11 1.61 -0.87 -1.26 -4.74 114.94 109.15 1x4m s ASN 14 Ca 0.00 -0.25 -0.17 0.00 -1.57 0.00 0.00 52.86 50.87 1x4m s ASN 14 Cb 0.00 -1.84 -0.07 0.00 -0.02 0.00 0.00 41.25 39.33 1x4m s ASN 14 CO 0.00 0.01 0.56 0.00 -2.57 0.00 0.00 177.10 175.10 1x4m s ALA 15 N 1.33 3.58 -0.18 0.60 0.00 -0.25 -4.86 121.76 121.98 1x4m s ALA 15 Ca 0.04 -0.05 -0.04 0.00 0.00 0.00 0.00 51.96 51.91 1x4m s ALA 15 Cb -0.15 -2.58 0.06 0.00 0.00 0.00 0.00 23.12 20.46 1x4m s ALA 15 CO 0.01 0.43 0.07 0.54 0.00 0.00 0.00 175.76 176.81 1x4m s VAL 16 N -1.28 0.11 -0.25 0.00 0.11 -1.26 -0.03 120.40 117.80 1x4m s VAL 16 Ca 0.33 -0.29 -0.06 0.00 -2.93 0.00 0.00 61.98 59.03 1x4m s VAL 16 Cb -0.17 -0.72 -0.01 0.00 -1.53 0.00 0.00 36.38 33.95 1x4m s VAL 16 CO 0.19 -0.26 0.02 -1.10 -3.33 0.00 0.00 175.10 170.62 1x4m s GLN 17 N 2.05 3.41 -0.11 1.54 -0.21 -0.02 -4.89 119.66 121.42 1x4m s GLN 17 Ca 0.01 -0.63 -0.09 0.00 0.02 0.00 0.00 55.36 54.67 1x4m s GLN 17 Cb -0.16 -3.19 -0.04 0.00 1.00 0.00 0.00 33.01 30.61 1x4m s GLN 17 CO -0.09 -0.25 0.20 -1.21 -2.12 0.00 0.00 175.29 171.82 1x4m s GLU 18 N 1.53 3.66 0.22 2.91 2.02 -1.26 -1.53 118.70 126.25 1x4m s GLU 18 Ca 0.05 -0.03 0.01 0.00 0.02 0.00 0.00 54.97 55.02 1x4m s GLU 18 Cb -0.15 -3.24 -0.05 0.00 0.10 0.00 0.00 34.13 30.79 1x4m s GLU 18 CO 0.00 0.68 0.07 0.96 0.02 0.00 0.00 175.26 176.99 1x4m s ILE 19 N -0.79 0.54 -0.24 -1.63 -0.00 -0.33 -4.94 121.20 113.81 1x4m s ILE 19 Ca 0.16 -1.99 -0.12 0.00 -0.00 0.00 0.00 60.65 58.70 1x4m s ILE 19 Cb -0.13 -2.44 -0.05 0.00 -0.00 0.00 0.00 42.46 39.85 1x4m s ILE 19 CO 0.05 -0.17 0.23 -0.04 -0.00 0.00 0.00 174.94 175.00 1x4m s MET 20 N -4.00 4.08 -0.15 0.37 -1.94 -1.26 0.14 119.30 116.54 1x4m s MET 20 Ca 0.33 -0.15 0.01 0.00 -1.71 0.00 0.00 55.69 54.16 1x4m s MET 20 Cb 0.07 -3.56 0.02 0.00 2.01 0.00 0.00 34.83 33.37 1x4m s MET 20 CO 0.10 -0.00 -0.16 0.42 -0.01 0.00 0.00 175.02 175.36 1x4m s ILE 21 N 1.23 1.71 -0.04 2.53 -1.09 -0.12 -4.93 121.20 120.50 1x4m s ILE 21 Ca 0.10 -0.74 -0.30 0.00 -2.23 0.00 0.00 60.65 57.49 1x4m s ILE 21 Cb -0.14 -1.57 -0.05 0.00 -1.58 0.00 0.00 42.46 39.12 1x4m s ILE 21 CO 0.06 0.48 1.48 -2.16 -1.23 0.00 0.00 174.94 173.57 1x4m s PRO 22 N 1.28 4.23 0.43 2.79 0.04 -1.26 0.01 135.00 142.52 1x4m s PRO 22 Ca 0.01 2.01 0.27 0.00 0.04 0.00 0.00 61.00 63.34 1x4m s PRO 22 Cb -0.14 -3.74 1.36 0.00 0.04 0.00 0.00 34.50 32.02 1x4m s PRO 22 CO -0.08 -0.70 1.65 0.00 0.04 0.00 0.00 177.00 177.91 1x4m h ALA 23 N 8.49 2.62 -0.59 8.56 0.00 -1.92 0.70 119.26 137.12 1x4m h ALA 23 Ca -0.37 0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.71 1x4m h ALA 23 Cb 1.17 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 19.07 1x4m h ALA 23 CO 0.93 -1.21 0.30 0.77 0.00 0.00 0.00 179.25 180.04 1x4m h SER 24 N 0.15 0.41 0.69 0.00 0.02 -1.92 -2.15 113.55 110.74 1x4m h SER 24 Ca 0.77 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.76 1x4m h SER 24 Cb 2.35 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 64.85 1x4m h SER 24 CO -0.40 0.27 -0.99 0.29 -1.14 0.00 0.00 176.83 174.86 1x4m n LYS 25 N -4.87 0.42 -0.10 3.45 4.76 0.18 -4.19 118.16 117.81 1x4m n LYS 25 Ca 0.07 0.04 -0.07 0.00 -2.87 0.00 0.00 58.31 55.48 1x4m n LYS 25 Cb 0.18 -1.69 0.00 0.00 -1.84 0.00 0.00 35.03 31.69 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 2.32 0.42 0.00 7.82 0.00 0.76 -0.68 119.26 129.89 1x4m h ALA 26 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1x4m h ALA 26 Cb 0.84 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1x4m h ALA 26 CO 0.00 -0.20 0.00 0.41 0.00 0.00 0.00 179.25 179.46 1x4m n GLY 27 N -1.20 -0.82 0.13 0.00 0.00 -1.08 -0.00 105.19 102.22 1x4m n GLY 27 Ca 0.00 0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.01 2.52 0.13 0.99 4.32 -0.35 -2.43 117.00 120.16 1x4m n LEU 28 Ca -0.00 0.19 0.00 0.00 -0.02 0.00 0.00 56.01 56.18 1x4m n LEU 28 Cb 0.05 -1.03 0.03 0.00 -1.62 0.00 0.00 43.42 40.85 1x4m n LEU 28 CO 0.08 0.75 0.41 1.62 -1.22 0.00 0.00 177.39 179.04 1x4m h VAL 29 N -0.21 1.09 0.06 4.08 3.04 -0.76 -3.34 116.25 120.21 1x4m h VAL 29 Ca -0.46 -2.44 -0.28 0.00 -1.01 0.00 0.00 66.70 62.51 1x4m h VAL 29 Cb 1.85 2.47 -0.02 0.00 -2.01 0.00 0.00 31.29 33.58 1x4m h VAL 29 CO -0.04 0.60 -1.49 0.40 -1.01 0.00 0.00 177.57 176.04 1x4m h ILE 30 N 0.00 0.87 0.00 3.17 2.04 -0.61 0.10 117.51 123.08 1x4m h ILE 30 Ca -0.01 -2.28 0.00 0.00 1.00 0.00 0.00 64.86 63.58 1x4m h ILE 30 Cb 1.42 2.43 0.00 0.00 -0.74 0.00 0.00 36.82 39.93 1x4m h ILE 30 CO 0.08 0.58 0.00 0.61 0.00 0.00 0.00 178.15 179.42 1x4m n GLY 31 N 1.67 -1.76 0.31 5.37 0.00 -1.02 -1.20 105.19 108.56 1x4m n GLY 31 Ca -0.30 -1.98 -0.15 0.00 0.00 0.00 0.00 46.02 43.59 1x4m n GLY 31 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x4m h LYS 32 N 0.00 -0.59 -0.57 1.61 1.57 -1.95 -3.36 116.57 113.27 1x4m h LYS 32 Ca 0.00 0.04 -0.28 0.00 -1.87 0.00 0.00 60.65 58.54 1x4m h LYS 32 Cb 0.00 0.13 -0.40 0.00 0.08 0.00 0.00 32.23 32.04 1x4m h LYS 32 CO 0.00 -0.40 -1.12 0.41 -0.57 0.00 0.00 179.45 177.78 1x4m n GLY 33 N -1.40 2.02 1.29 3.86 0.00 -1.26 -4.97 105.19 104.73 1x4m n GLY 33 Ca -0.09 -1.21 -0.01 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.50 0.54 0.12 -0.02 0.00 -1.11 -5.01 105.19 99.22 1x4m n GLY 34 Ca 0.10 -0.50 -0.24 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.06 0.60 0.15 1.61 1.02 -0.34 -3.94 120.64 118.68 1x4m n GLU 35 Ca -0.01 0.44 -0.06 0.00 -0.02 0.00 0.00 57.16 57.50 1x4m n GLU 35 Cb 0.51 -1.66 -0.03 0.00 -0.02 0.00 0.00 31.44 30.24 1x4m n GLU 35 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1x4m h THR 36 N -0.85 0.00 -1.22 2.62 2.02 -1.71 -2.94 112.91 110.85 1x4m h THR 36 Ca -0.47 -0.07 0.35 0.00 0.77 0.00 0.00 66.41 66.99 1x4m h THR 36 Cb 1.50 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.86 1x4m h THR 36 CO -0.24 0.00 0.98 -0.29 0.37 0.00 0.00 175.52 176.34 1x4m h ILE 37 N -0.46 0.25 -0.84 3.11 2.10 -1.04 0.69 117.51 121.32 1x4m h ILE 37 Ca -0.04 0.00 -0.04 0.00 1.08 0.00 0.00 64.86 65.86 1x4m h ILE 37 Cb 0.30 0.29 -0.04 0.00 -1.09 0.00 0.00 36.82 36.28 1x4m h ILE 37 CO 0.07 0.00 0.38 0.50 -1.08 0.00 0.00 178.15 178.02 1x4m h LYS 38 N 0.00 1.22 -0.10 2.19 3.64 -1.64 -2.72 116.57 119.17 1x4m h LYS 38 Ca 0.58 -0.19 -0.19 0.00 -1.27 0.00 0.00 60.65 59.58 1x4m h LYS 38 Cb 2.53 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 34.14 1x4m h LYS 38 CO -0.01 0.95 -0.73 1.96 -2.27 0.00 0.00 179.45 179.36 1x4m h GLN 39 N 1.20 0.48 0.00 1.90 1.08 0.47 -2.93 115.11 117.30 1x4m h GLN 39 Ca 0.28 -0.38 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 1x4m h GLN 39 Cb 0.15 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 1x4m h GLN 39 CO -0.03 1.02 0.00 1.28 -0.95 0.00 0.00 178.83 180.15 1x4m n LEU 40 N -3.86 0.20 0.14 1.46 4.77 -1.02 -0.85 117.00 117.84 1x4m n LEU 40 Ca -0.05 0.59 0.01 0.00 -0.03 0.00 0.00 56.01 56.54 1x4m n LEU 40 Cb 0.71 -0.62 0.15 0.00 -2.33 0.00 0.00 43.42 41.33 1x4m n LEU 40 CO 0.49 -0.66 0.49 1.56 -1.33 0.00 0.00 177.39 177.94 1x4m h GLN 41 N 0.00 0.00 0.05 3.23 4.20 -1.44 -2.85 115.11 118.29 1x4m h GLN 41 Ca 0.00 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.39 1x4m h GLN 41 Cb 0.01 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 1x4m h GLN 41 CO 0.00 0.57 -1.78 0.39 -0.67 0.00 0.00 178.83 177.34 1x4m n GLU 42 N -3.48 0.65 0.16 1.46 1.02 -0.03 -0.11 120.64 120.31 1x4m n GLU 42 Ca 0.00 0.39 0.13 0.00 -0.02 0.00 0.00 57.16 57.66 1x4m n GLU 42 Cb 0.66 -1.69 0.67 0.00 -0.02 0.00 0.00 31.44 31.06 1x4m n GLU 42 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1x4m h ARG 43 N -0.49 0.00 0.00 3.49 3.08 -1.60 -1.70 114.38 117.16 1x4m h ARG 43 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.62 1x4m h ARG 43 Cb 1.68 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.73 1x4m h ARG 43 CO -0.10 0.00 -1.20 0.00 -1.07 0.00 0.00 179.97 177.60 1x4m n ALA 44 N -2.57 3.41 -2.88 0.04 0.00 -1.08 -5.02 120.51 112.40 1x4m n ALA 44 Ca 0.02 -0.42 -0.11 0.00 0.00 0.00 0.00 53.44 52.93 1x4m n ALA 44 Cb 0.29 -0.57 0.06 0.00 0.00 0.00 0.00 19.45 19.23 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 1.46 -0.26 3.82 0.00 0.00 -0.62 -4.71 105.19 104.89 1x4m n GLY 45 Ca 0.00 0.06 -0.08 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.25 0.00 -0.24 1.61 -7.23 0.84 -4.61 120.40 107.51 1x4m s VAL 46 Ca 0.11 -1.03 -0.07 0.00 -1.81 0.00 0.00 61.98 59.18 1x4m s VAL 46 Cb -0.01 -2.39 -0.03 0.00 0.56 0.00 0.00 36.38 34.51 1x4m s VAL 46 CO 0.50 0.00 0.07 -0.75 -0.31 0.00 0.00 175.10 174.61 1x4m s LYS 47 N -3.24 3.71 -0.24 4.82 2.20 -0.35 -4.34 119.74 122.30 1x4m s LYS 47 Ca 0.14 -0.46 -0.08 0.00 -0.36 0.00 0.00 55.97 55.21 1x4m s LYS 47 Cb -0.05 -3.31 -0.04 0.00 -1.51 0.00 0.00 37.83 32.92 1x4m s LYS 47 CO 0.09 -0.12 0.09 -1.64 -0.36 0.00 0.00 175.35 173.41 1x4m s MET 48 N 1.44 3.79 -0.18 4.03 -1.94 -1.26 -1.32 119.30 123.85 1x4m s MET 48 Ca 0.06 -0.42 -0.02 0.00 -1.71 0.00 0.00 55.69 53.60 1x4m s MET 48 Cb -0.15 -3.36 0.05 0.00 2.01 0.00 0.00 34.83 33.38 1x4m s MET 48 CO 0.04 -0.08 0.02 0.08 -0.01 0.00 0.00 175.02 175.06 1x4m s VAL 49 N 1.35 0.64 0.03 -6.03 1.01 0.07 -4.99 120.40 112.49 1x4m s VAL 49 Ca 0.06 -0.53 -0.30 0.00 0.00 0.00 0.00 61.98 61.20 1x4m s VAL 49 Cb -0.15 -1.06 -0.05 0.00 0.00 0.00 0.00 36.38 35.12 1x4m s VAL 49 CO 0.04 -0.11 1.28 -0.04 0.00 0.00 0.00 175.10 176.28 1x4m s MET 50 N 1.81 4.36 -0.51 2.72 -1.94 -1.26 -0.97 119.30 123.52 1x4m s MET 50 Ca -0.00 1.85 -0.19 0.00 -1.71 0.00 0.00 55.69 55.63 1x4m s MET 50 Cb -0.16 -3.43 0.06 0.00 2.01 0.00 0.00 34.83 33.30 1x4m s MET 50 CO -0.07 -0.41 0.62 0.42 -0.01 0.00 0.00 175.02 175.57 1x4m s ILE 51 N 1.65 4.88 -0.51 2.53 -1.09 -0.02 -4.90 121.20 123.74 1x4m s ILE 51 Ca 0.60 -0.52 0.07 0.00 -2.23 0.00 0.00 60.65 58.57 1x4m s ILE 51 Cb -0.30 -4.30 0.36 0.00 -1.58 0.00 0.00 42.46 36.64 1x4m s ILE 51 CO 0.27 -0.81 0.95 1.67 -1.23 0.00 0.00 174.94 175.79 1x4m n GLN 52 N 6.15 2.84 -2.25 2.79 0.00 -1.26 -3.84 117.38 121.82 1x4m n GLN 52 Ca -0.07 -4.50 -0.43 0.00 -0.00 0.00 0.00 57.00 52.00 1x4m n GLN 52 Cb 0.45 -2.12 -0.02 0.00 0.00 0.00 0.00 30.24 28.55 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 -3.32 6.55 0.00 1.69 2.15 -1.26 -4.77 116.67 117.71 1x4m s ASP 53 Ca 0.46 1.50 0.00 0.00 0.43 0.00 0.00 52.55 54.94 1x4m s ASP 53 Cb 0.32 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.41 1x4m s ASP 53 CO -0.13 -1.14 0.00 0.61 -0.17 0.00 0.00 175.17 174.34 1x4m n GLY 54 N 4.42 -0.93 0.00 2.66 0.00 -1.26 -5.03 105.19 105.05 1x4m n GLY 54 Ca 0.17 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 44.11 1x4m n GLY 54 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4m n PRO 55 N 0.00 -0.36 -0.02 1.61 -0.04 -1.26 -5.05 135.00 129.88 1x4m n PRO 55 Ca 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.43 1x4m n PRO 55 Cb 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.44 1x4m n PRO 55 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1x4m n GLN 56 N -1.02 0.08 -0.05 0.54 3.00 -1.26 -4.66 117.38 114.02 1x4m n GLN 56 Ca 0.00 0.03 0.22 0.00 -0.01 0.00 0.00 57.00 57.23 1x4m n GLN 56 Cb 0.00 -0.88 0.69 0.00 0.00 0.00 0.00 30.24 30.05 1x4m n GLN 56 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.06 174.11 1x4m h ASN 57 N -0.06 0.02 -2.46 1.08 -1.07 -2.02 -3.42 115.58 107.65 1x4m h ASN 57 Ca -0.09 0.00 -0.57 0.00 0.07 0.00 0.00 56.30 55.71 1x4m h ASN 57 Cb 1.11 -0.00 0.06 0.00 -2.07 0.00 0.00 38.32 37.42 1x4m h ASN 57 CO -0.03 0.01 0.80 1.07 0.07 0.00 0.00 177.43 179.35 1x4m n THR 58 N -4.36 0.22 -3.09 6.14 5.66 -1.26 -4.70 114.28 112.89 1x4m n THR 58 Ca 0.12 -0.06 0.07 0.00 -3.05 0.00 0.00 64.05 61.13 1x4m n THR 58 Cb 0.68 -1.62 -0.02 0.00 -1.55 0.00 0.00 70.33 67.82 1x4m n THR 58 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1x4m n GLY 59 N 3.21 -1.14 1.81 1.09 0.00 -1.26 -4.63 105.19 104.27 1x4m n GLY 59 Ca 0.15 -0.91 -0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.83 3.00 -3.49 4.61 0.00 -1.26 -5.07 120.51 117.46 1x4m n ALA 60 Ca 0.00 -2.82 -0.15 0.00 0.00 0.00 0.00 53.44 50.48 1x4m n ALA 60 Cb 0.23 -0.66 -0.04 0.00 0.00 0.00 0.00 19.45 18.98 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 -2.96 -0.58 -0.14 0.00 1.47 -1.26 -4.47 116.67 108.73 1x4m s ASP 61 Ca 0.35 0.40 0.00 0.00 1.18 0.00 0.00 52.55 54.48 1x4m s ASP 61 Cb 0.37 0.52 0.02 0.00 -0.34 0.00 0.00 42.92 43.49 1x4m s ASP 61 CO -0.09 -0.70 -0.12 -0.54 0.68 0.00 0.00 175.17 174.40 1x4m s LYS 62 N -2.16 2.07 -0.17 2.11 -0.14 0.10 -4.92 119.74 116.63 1x4m s LYS 62 Ca -0.05 -0.48 -0.29 0.00 -1.36 0.00 0.00 55.97 53.79 1x4m s LYS 62 Cb -0.00 -1.97 -0.03 0.00 -1.68 0.00 0.00 37.83 34.14 1x4m s LYS 62 CO 0.00 -0.25 1.58 -1.25 -0.76 0.00 0.00 175.35 174.67 1x4m s PRO 63 N 1.55 3.95 -0.22 -1.68 0.04 -1.25 -0.94 135.00 136.45 1x4m s PRO 63 Ca 0.05 1.79 -0.13 0.00 0.04 0.00 0.00 61.00 62.74 1x4m s PRO 63 Cb -0.13 -3.99 -0.04 0.00 0.04 0.00 0.00 34.50 30.38 1x4m s PRO 63 CO -0.10 -1.11 0.28 -1.17 0.04 0.00 0.00 177.00 174.95 1x4m s LEU 64 N 4.70 4.14 -0.23 -3.56 2.96 0.12 -0.84 118.68 125.97 1x4m s LEU 64 Ca 0.70 0.34 -0.13 0.00 -0.22 0.00 0.00 54.13 54.81 1x4m s LEU 64 Cb -0.26 -2.32 -0.04 0.00 0.50 0.00 0.00 46.19 44.06 1x4m s LEU 64 CO 0.27 -0.00 0.30 -0.60 -1.32 0.00 0.00 176.35 175.00 1x4m s ARG 65 N 1.13 4.09 -0.34 1.98 3.52 -0.14 -1.19 118.95 128.00 1x4m s ARG 65 Ca 0.14 -0.03 0.00 0.00 -0.13 0.00 0.00 55.73 55.71 1x4m s ARG 65 Cb -0.14 -3.57 0.09 0.00 -1.56 0.00 0.00 34.95 29.77 1x4m s ARG 65 CO 0.06 -0.05 0.07 0.42 -0.81 0.00 0.00 175.30 174.99 1x4m s ILE 66 N 1.38 2.78 0.23 4.11 1.01 -0.58 -0.75 121.20 129.37 1x4m s ILE 66 Ca 0.13 -1.94 0.00 0.00 0.00 0.00 0.00 60.65 58.85 1x4m s ILE 66 Cb -0.15 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.44 1x4m s ILE 66 CO 0.07 -0.45 0.41 0.42 0.00 0.00 0.00 174.94 175.39 1x4m s THR 67 N 1.09 5.20 -4.37 2.92 -4.23 -0.43 -0.84 115.64 114.98 1x4m s THR 67 Ca 0.04 -0.46 0.00 0.00 -1.18 0.00 0.00 61.69 60.09 1x4m s THR 67 Cb -0.21 -3.77 0.00 0.00 1.34 0.00 0.00 72.50 69.87 1x4m s THR 67 CO -0.05 -0.25 0.00 0.61 -0.54 0.00 0.00 174.62 174.39 1x4m n GLY 68 N -0.92 0.98 3.39 3.99 0.00 0.95 -1.21 105.19 112.39 1x4m n GLY 68 Ca -0.05 -1.99 -0.46 0.00 0.00 0.00 0.00 46.02 43.52 1x4m n GLY 68 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1x4m n ASP 69 N 2.62 -1.39 0.25 1.61 2.03 -1.26 -1.09 116.55 119.32 1x4m n ASP 69 Ca 0.00 1.06 0.16 0.00 0.52 0.00 0.00 54.79 56.53 1x4m n ASP 69 Cb 0.00 -0.97 0.67 0.00 -0.72 0.00 0.00 41.12 40.10 1x4m n ASP 69 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1x4m h PRO 70 N 0.92 0.00 0.00 -0.67 0.13 -1.88 0.28 132.00 130.78 1x4m h PRO 70 Ca -0.31 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.70 1x4m h PRO 70 Cb 1.43 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.54 1x4m h PRO 70 CO 0.55 0.00 -1.57 0.98 -0.23 0.00 0.00 178.00 177.73 1x4m n TYR 71 N -2.90 0.66 -0.11 1.56 4.19 -1.26 -4.12 117.16 115.18 1x4m n TYR 71 Ca 0.01 0.21 -0.23 0.00 3.31 0.00 0.00 57.90 61.20 1x4m n TYR 71 Cb 0.28 -0.93 -0.10 0.00 0.49 0.00 0.00 39.34 39.08 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 -2.70 0.56 -0.32 2.98 5.02 -1.05 -4.16 118.16 118.49 1x4m n LYS 72 Ca -0.09 0.43 0.21 0.00 -2.02 0.00 0.00 58.31 56.83 1x4m n LYS 72 Cb 0.76 -1.62 0.42 0.00 -0.02 0.00 0.00 35.03 34.56 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 0.22 -0.42 -0.18 2.07 -0.68 1.13 116.25 117.39 1x4m h VAL 73 Ca -0.43 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 1x4m h VAL 73 Cb 1.34 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1x4m h VAL 73 CO -0.26 0.04 0.16 0.06 0.02 0.00 0.00 177.57 177.58 1x4m h GLN 74 N 0.19 0.60 0.25 1.57 3.07 -1.76 -2.28 115.11 116.75 1x4m h GLN 74 Ca 0.68 -0.08 -0.01 0.00 0.09 0.00 0.00 58.65 59.33 1x4m h GLN 74 Cb 1.55 -0.11 0.00 0.00 0.08 0.00 0.00 27.48 29.00 1x4m h GLN 74 CO -0.69 0.50 -0.12 1.96 0.09 0.00 0.00 178.83 180.57 1x4m h GLN 75 N 0.60 -0.33 -1.01 0.06 1.08 0.11 -3.25 115.11 112.38 1x4m h GLN 75 Ca 0.15 0.02 0.24 0.00 -1.45 0.00 0.00 58.65 57.61 1x4m h GLN 75 Cb 0.14 0.07 -0.12 0.00 -0.05 0.00 0.00 27.48 27.52 1x4m h GLN 75 CO -0.01 0.02 0.60 0.00 -0.95 0.00 0.00 178.83 178.49 1x4m h ALA 76 N -0.48 1.80 -0.79 3.87 0.00 -1.16 0.38 119.26 122.87 1x4m h ALA 76 Ca -0.03 0.12 0.17 0.00 0.00 0.00 0.00 54.91 55.17 1x4m h ALA 76 Cb 0.50 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 1x4m h ALA 76 CO 0.06 -0.26 0.53 -0.22 0.00 0.00 0.00 179.25 179.36 1x4m h LYS 77 N 0.59 0.33 -0.11 0.00 3.64 -1.44 0.41 116.57 120.00 1x4m h LYS 77 Ca 0.64 -0.02 -0.21 0.00 -1.27 0.00 0.00 60.65 59.78 1x4m h LYS 77 Cb 1.20 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 32.95 1x4m h LYS 77 CO -0.46 0.22 -0.80 0.93 -2.27 0.00 0.00 179.45 177.07 1x4m h GLU 78 N 0.34 0.63 -0.64 1.90 5.08 -0.32 -1.21 114.58 120.36 1x4m h GLU 78 Ca 0.39 -0.54 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 1x4m h GLU 78 Cb 1.03 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.37 1x4m h GLU 78 CO -0.12 1.15 0.31 0.52 -1.00 0.00 0.00 179.01 179.87 1x4m h MET 79 N 0.42 0.93 0.18 2.33 2.86 -0.76 -1.55 114.93 119.35 1x4m h MET 79 Ca -0.05 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.44 1x4m h MET 79 Cb 1.41 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.90 1x4m h MET 79 CO 0.15 0.75 -0.09 0.28 1.06 0.00 0.00 176.91 179.06 1x4m h VAL 80 N 0.89 0.60 -1.08 -2.22 2.07 -1.35 -2.73 116.25 112.43 1x4m h VAL 80 Ca 0.22 -1.08 0.29 0.00 0.82 0.00 0.00 66.70 66.96 1x4m h VAL 80 Cb 0.13 1.03 -0.10 0.00 -1.52 0.00 0.00 31.29 30.82 1x4m h VAL 80 CO -0.03 0.16 0.69 -0.07 0.02 0.00 0.00 177.57 178.35 1x4m h LEU 81 N -0.96 0.41 -0.58 2.57 3.38 -1.25 0.84 115.31 119.73 1x4m h LEU 81 Ca -0.03 0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 1x4m h LEU 81 Cb 0.46 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1x4m h LEU 81 CO 0.04 0.04 -0.65 -0.08 0.09 0.00 0.00 178.44 177.88 1x4m h GLU 82 N 0.34 0.00 -0.07 1.13 4.22 -1.33 -1.92 114.58 116.95 1x4m h GLU 82 Ca 0.63 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 60.06 1x4m h GLU 82 Cb 1.67 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.92 1x4m h GLU 82 CO -0.32 0.65 0.02 1.25 -2.18 0.00 0.00 179.01 178.44 1x4m h LEU 83 N 0.00 0.11 -0.34 1.64 7.12 0.10 -2.87 115.31 121.07 1x4m h LEU 83 Ca -0.01 -0.19 -0.01 0.00 0.13 0.00 0.00 57.88 57.80 1x4m h LEU 83 Cb 1.23 -0.03 -0.00 0.00 -0.53 0.00 0.00 40.66 41.33 1x4m h LEU 83 CO 0.09 0.27 -0.05 0.16 -0.13 0.00 0.00 178.44 178.77 1x4m h ILE 84 N -0.06 0.10 -3.70 4.05 -0.00 -1.47 -3.46 117.51 112.97 1x4m h ILE 84 Ca 0.02 -1.02 -0.45 0.00 -0.00 0.00 0.00 64.86 63.42 1x4m h ILE 84 Cb 0.20 1.93 0.15 0.00 -0.00 0.00 0.00 36.82 39.10 1x4m h ILE 84 CO -0.00 0.05 0.36 -0.13 -0.00 0.00 0.00 178.15 178.44 1x4m s ARG 85 N -3.30 0.90 -0.28 0.16 0.52 -0.72 -4.94 118.95 111.29 1x4m s ARG 85 Ca 0.05 -0.52 -0.03 0.00 -0.52 0.00 0.00 55.73 54.71 1x4m s ARG 85 Cb 0.06 -1.94 0.16 0.00 0.52 0.00 0.00 34.95 33.75 1x4m s ARG 85 CO 0.65 -2.19 0.55 -0.51 0.02 0.00 0.00 175.30 173.82 1x4m s ASP 86 N -4.85 -0.93 0.36 0.23 1.01 -1.26 -4.92 116.67 106.31 1x4m s ASP 86 Ca 0.72 0.84 -0.23 0.00 0.71 0.00 0.00 52.55 54.59 1x4m s ASP 86 Cb -0.04 1.91 -0.15 0.00 1.01 0.00 0.00 42.92 45.64 1x4m s ASP 86 CO 0.51 -0.26 0.38 1.67 0.21 0.00 0.00 175.17 177.68 1x4m n GLN 87 N 5.42 0.25 0.00 8.23 -0.06 -1.26 -4.92 117.38 125.04 1x4m n GLN 87 Ca -0.04 0.09 0.00 0.00 -2.00 0.00 0.00 57.00 55.05 1x4m n GLN 87 Cb 0.50 -1.20 0.00 0.00 -4.06 0.00 0.00 30.24 25.48 1x4m n GLN 87 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1x4m n GLY 88 N 2.03 -1.79 3.15 1.69 0.00 -1.26 -5.14 105.19 103.87 1x4m n GLY 88 Ca 0.13 0.81 0.04 0.00 0.00 0.00 0.00 46.02 47.00 1x4m n GLY 88 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4m s SER 89 N 0.00 -1.39 0.00 1.61 0.01 -1.26 -5.00 113.70 107.66 1x4m s SER 89 Ca 0.00 0.85 0.00 0.00 1.31 0.00 0.00 55.95 58.11 1x4m s SER 89 Cb 0.00 2.16 0.00 0.00 0.21 0.00 0.00 66.02 68.39 1x4m s SER 89 CO 0.00 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.00 1x4m n GLY 90 N 5.43 0.33 3.61 3.44 0.00 -1.26 -4.98 105.19 111.77 1x4m n GLY 90 Ca -0.01 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 1x4m n GLY 90 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4m s PRO 91 N -2.96 3.55 -0.61 1.61 0.04 -1.26 -4.95 135.00 130.41 1x4m s PRO 91 Ca 0.00 1.43 -0.28 0.00 0.04 0.00 0.00 61.00 62.19 1x4m s PRO 91 Cb 0.00 -4.11 0.03 0.00 0.04 0.00 0.00 34.50 30.46 1x4m s PRO 91 CO 0.00 -1.60 1.21 0.45 0.04 0.00 0.00 177.00 177.10 1x4m s SER 92 N 5.03 6.39 -0.45 6.66 0.15 -1.26 -4.94 113.70 125.29 1x4m s SER 92 Ca 0.74 -0.01 -0.43 0.00 0.70 0.00 0.00 55.95 56.94 1x4m s SER 92 Cb -0.22 -2.55 -0.18 0.00 -1.71 0.00 0.00 66.02 61.36 1x4m s SER 92 CO 0.32 -1.56 1.89 -0.24 1.20 0.00 0.00 173.24 174.85 1x4m n SER 93 N 8.63 1.34 0.00 5.45 2.88 -1.26 -5.29 113.62 125.37 1x4m n SER 93 Ca 0.07 0.89 0.00 0.00 -1.33 0.00 0.00 58.87 58.51 1x4m n SER 93 Cb 0.49 -0.97 0.00 0.00 -0.75 0.00 0.00 64.21 62.98 1x4m n SER 93 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42