#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 6.75 -0.50 1.61 0.15 -1.26 -4.98 113.70 115.48 1x4m s SER 2 Ca 0.00 2.45 -0.14 0.00 0.70 0.00 0.00 55.95 58.96 1x4m s SER 2 Cb 0.00 -2.59 0.11 0.00 -1.71 0.00 0.00 66.02 61.82 1x4m s SER 2 CO 0.00 -0.69 0.42 -0.44 1.20 0.00 0.00 173.24 173.73 1x4m s SER 3 N 0.95 6.03 -0.34 5.45 0.01 -1.26 -5.02 113.70 119.52 1x4m s SER 3 Ca 0.65 -1.65 0.03 0.00 1.31 0.00 0.00 55.95 56.29 1x4m s SER 3 Cb -0.39 -2.14 0.10 0.00 0.21 0.00 0.00 66.02 63.80 1x4m s SER 3 CO 0.33 -0.74 0.06 -0.83 0.41 0.00 0.00 173.24 172.48 1x4m s GLY 4 N 2.99 1.80 0.47 3.44 0.00 -1.26 -5.10 107.32 109.66 1x4m s GLY 4 Ca 0.04 -2.41 -0.24 0.00 0.00 0.00 0.00 44.72 42.11 1x4m s GLY 4 CO 0.03 1.06 1.22 1.44 0.00 0.00 0.00 173.10 176.85 1x4m n SER 5 N 4.32 2.19 -3.76 1.64 7.64 -1.26 -5.02 113.62 119.37 1x4m n SER 5 Ca 0.03 1.04 -0.15 0.00 1.01 0.00 0.00 58.87 60.80 1x4m n SER 5 Cb 0.42 -1.48 -0.16 0.00 -1.01 0.00 0.00 64.21 61.98 1x4m n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x4m s SER 6 N -0.72 0.03 0.00 6.43 0.15 -1.26 -5.13 113.70 113.20 1x4m s SER 6 Ca 0.65 0.11 0.00 0.00 0.70 0.00 0.00 55.95 57.41 1x4m s SER 6 Cb -0.48 -0.00 0.00 0.00 -1.71 0.00 0.00 66.02 63.82 1x4m s SER 6 CO 0.55 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.46 1x4m n GLY 7 N 4.20 2.18 3.52 9.45 0.00 -1.26 -5.18 105.19 118.10 1x4m n GLY 7 Ca -0.28 0.21 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 2.36 -0.22 1.61 0.00 -1.26 -5.13 115.29 112.65 1x4m s HIS 8 Ca 0.00 -0.44 -0.03 0.00 -3.00 0.00 0.00 55.06 51.59 1x4m s HIS 8 Cb 0.00 -1.24 -0.00 0.00 -4.00 0.00 0.00 32.58 27.34 1x4m s HIS 8 CO 0.00 0.64 -0.05 0.20 -1.00 0.00 0.00 174.74 174.52 1x4m s GLY 9 N -3.57 1.60 -0.11 -1.38 0.00 -1.26 -5.08 107.32 97.51 1x4m s GLY 9 Ca 0.32 -1.20 -0.05 0.00 0.00 0.00 0.00 44.72 43.78 1x4m s GLY 9 CO 0.16 0.43 0.26 0.99 0.00 0.00 0.00 173.10 174.94 1x4m s ASP 10 N 1.45 -0.26 0.04 1.64 1.01 -1.26 -5.16 116.67 114.14 1x4m s ASP 10 Ca 0.05 0.55 -0.28 0.00 0.71 0.00 0.00 52.55 53.58 1x4m s ASP 10 Cb -0.14 0.44 0.09 0.00 1.01 0.00 0.00 42.92 44.32 1x4m s ASP 10 CO -0.04 -0.17 1.06 -0.83 0.21 0.00 0.00 175.17 175.40 1x4m s GLY 11 N 1.32 -0.33 0.08 0.21 0.00 -1.26 -5.05 107.32 102.28 1x4m s GLY 11 Ca -0.09 0.62 -0.16 0.00 0.00 0.00 0.00 44.72 45.08 1x4m s GLY 11 CO -0.09 0.16 1.40 -0.56 0.00 0.00 0.00 173.10 174.01 1x4m h PRO 12 N 2.00 0.60 0.00 2.90 0.13 -2.07 -3.50 132.00 132.07 1x4m h PRO 12 Ca -0.24 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 1x4m h PRO 12 Cb 1.22 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1x4m h PRO 12 CO 0.27 0.91 0.00 0.41 -0.23 0.00 0.00 178.00 179.36 1x4m n GLY 13 N 0.17 0.16 3.06 1.56 0.00 -1.26 -5.12 105.19 103.76 1x4m n GLY 13 Ca -0.04 -0.20 -0.47 0.00 0.00 0.00 0.00 46.02 45.30 1x4m n GLY 13 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x4m n ASN 14 N 0.00 -0.64 -4.84 1.61 4.13 -1.26 -4.90 115.26 109.36 1x4m n ASN 14 Ca 0.00 1.02 -0.34 0.00 1.68 0.00 0.00 54.58 56.94 1x4m n ASN 14 Cb 0.00 -0.83 -0.06 0.00 -1.54 0.00 0.00 39.78 37.35 1x4m n ASN 14 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1x4m s ALA 15 N -0.51 3.39 -0.04 5.41 0.00 -0.65 -4.85 121.76 124.52 1x4m s ALA 15 Ca 0.67 0.03 -0.04 0.00 0.00 0.00 0.00 51.96 52.62 1x4m s ALA 15 Cb -0.96 -2.73 0.01 0.00 0.00 0.00 0.00 23.12 19.44 1x4m s ALA 15 CO 0.50 0.36 0.12 0.54 0.00 0.00 0.00 175.76 177.28 1x4m s VAL 16 N -1.79 0.01 -0.02 0.00 0.11 -1.26 -0.13 120.40 117.32 1x4m s VAL 16 Ca 0.49 -0.08 -0.00 0.00 -2.93 0.00 0.00 61.98 59.46 1x4m s VAL 16 Cb -0.13 -0.20 0.03 0.00 -1.53 0.00 0.00 36.38 34.55 1x4m s VAL 16 CO 0.19 -0.04 0.03 -1.10 -3.33 0.00 0.00 175.10 170.85 1x4m s GLN 17 N -0.09 -0.04 -0.15 1.54 -1.52 -0.07 -4.95 119.66 114.37 1x4m s GLN 17 Ca -0.02 0.22 -0.07 0.00 -1.95 0.00 0.00 55.36 53.54 1x4m s GLN 17 Cb -0.02 -0.29 -0.04 0.00 -0.22 0.00 0.00 33.01 32.44 1x4m s GLN 17 CO 0.00 -0.19 0.09 -1.21 -0.25 0.00 0.00 175.29 173.73 1x4m s GLU 18 N 1.24 3.72 0.01 2.91 2.02 -1.26 -0.20 118.70 127.15 1x4m s GLU 18 Ca -0.07 -0.26 0.03 0.00 0.02 0.00 0.00 54.97 54.70 1x4m s GLU 18 Cb -0.13 -3.20 -0.01 0.00 0.10 0.00 0.00 34.13 30.89 1x4m s GLU 18 CO -0.03 0.50 -0.10 0.96 0.02 0.00 0.00 175.26 176.61 1x4m s ILE 19 N -0.24 0.77 -0.15 -1.63 -0.00 -0.31 -4.93 121.20 114.71 1x4m s ILE 19 Ca 0.09 -0.59 -0.29 0.00 -0.00 0.00 0.00 60.65 59.86 1x4m s ILE 19 Cb -0.12 -0.68 -0.01 0.00 -0.00 0.00 0.00 42.46 41.65 1x4m s ILE 19 CO 0.01 0.09 1.21 -0.04 -0.00 0.00 0.00 174.94 176.21 1x4m s MET 20 N -0.56 4.27 -0.17 0.37 -1.94 -1.26 -0.26 119.30 119.75 1x4m s MET 20 Ca 0.01 1.61 0.00 0.00 -1.71 0.00 0.00 55.69 55.61 1x4m s MET 20 Cb -0.05 -3.70 0.01 0.00 2.01 0.00 0.00 34.83 33.10 1x4m s MET 20 CO 0.00 -0.63 -0.16 0.42 -0.01 0.00 0.00 175.02 174.64 1x4m s ILE 21 N 3.15 2.50 -0.12 2.53 -1.09 0.27 -4.92 121.20 123.52 1x4m s ILE 21 Ca 0.53 -0.81 -0.29 0.00 -2.23 0.00 0.00 60.65 57.84 1x4m s ILE 21 Cb -0.21 -2.06 -0.04 0.00 -1.58 0.00 0.00 42.46 38.57 1x4m s ILE 21 CO 0.15 0.51 1.54 -2.16 -1.23 0.00 0.00 174.94 173.75 1x4m s PRO 22 N 1.03 4.13 0.61 2.79 0.04 -1.26 0.94 135.00 143.28 1x4m s PRO 22 Ca -0.01 1.94 0.25 0.00 0.04 0.00 0.00 61.00 63.22 1x4m s PRO 22 Cb -0.15 -3.93 0.88 0.00 0.04 0.00 0.00 34.50 31.35 1x4m s PRO 22 CO -0.04 -0.89 1.30 0.00 0.04 0.00 0.00 177.00 177.41 1x4m h ALA 23 N 9.37 2.90 0.10 8.56 0.00 -1.88 0.72 119.26 139.03 1x4m h ALA 23 Ca -0.35 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1x4m h ALA 23 Cb 1.15 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1x4m h ALA 23 CO 0.97 -1.68 -0.05 0.77 0.00 0.00 0.00 179.25 179.25 1x4m h SER 24 N 0.00 -0.12 0.42 0.00 0.02 -1.94 -3.09 113.55 108.84 1x4m h SER 24 Ca 0.46 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1x4m h SER 24 Cb 2.83 0.03 0.00 0.00 0.14 0.00 0.00 62.40 65.40 1x4m h SER 24 CO -0.00 0.28 -0.14 0.29 -1.14 0.00 0.00 176.83 176.11 1x4m n LYS 25 N -4.97 0.58 0.14 3.45 4.76 0.22 -4.01 118.16 118.34 1x4m n LYS 25 Ca -0.09 -0.21 -0.14 0.00 -2.87 0.00 0.00 58.31 55.01 1x4m n LYS 25 Cb 0.23 -1.50 -0.08 0.00 -1.84 0.00 0.00 35.03 31.84 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 3.52 -0.31 0.00 7.82 0.00 -0.76 -1.98 119.26 127.54 1x4m h ALA 26 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1x4m h ALA 26 Cb 0.39 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1x4m h ALA 26 CO 0.00 -0.61 0.00 0.41 0.00 0.00 0.00 179.25 179.05 1x4m n GLY 27 N -0.89 -0.44 0.10 0.00 0.00 -1.24 -1.06 105.19 101.66 1x4m n GLY 27 Ca -0.09 -0.01 -0.18 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 -1.39 1.87 0.12 0.99 4.32 -0.81 -2.36 117.00 119.75 1x4m n LEU 28 Ca 0.01 0.45 0.12 0.00 -0.02 0.00 0.00 56.01 56.57 1x4m n LEU 28 Cb 0.02 -0.89 0.47 0.00 -1.62 0.00 0.00 43.42 41.39 1x4m n LEU 28 CO 0.01 0.10 0.86 0.55 -1.22 0.00 0.00 177.39 177.69 1x4m n VAL 29 N -4.45 0.77 -0.12 4.08 3.14 -0.83 -3.17 118.33 117.76 1x4m n VAL 29 Ca -0.29 0.12 -0.16 0.00 -2.96 0.00 0.00 64.34 61.05 1x4m n VAL 29 Cb 0.60 -1.03 -0.13 0.00 -1.06 0.00 0.00 33.84 32.23 1x4m n VAL 29 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 1x4m n ILE 30 N -2.20 1.49 -4.04 1.55 5.41 -0.22 -0.30 119.36 121.05 1x4m n ILE 30 Ca 0.03 -0.64 0.00 0.00 1.00 0.00 0.00 62.75 63.14 1x4m n ILE 30 Cb 0.27 -1.24 0.00 0.00 -0.71 0.00 0.00 39.64 37.96 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 2.14 -0.51 3.35 7.39 0.00 -0.99 -1.07 105.19 115.49 1x4m n GLY 31 Ca -0.42 -1.13 -0.46 0.00 0.00 0.00 0.00 46.02 44.01 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 3.49 0.00 1.61 -0.14 -1.26 -4.37 119.74 119.07 1x4m s LYS 32 Ca 0.00 -2.19 0.00 0.00 -1.36 0.00 0.00 55.97 52.42 1x4m s LYS 32 Cb 0.00 -4.48 0.00 0.00 -1.68 0.00 0.00 37.83 31.67 1x4m s LYS 32 CO 0.00 -1.39 0.00 0.41 -0.76 0.00 0.00 175.35 173.61 1x4m n GLY 33 N 4.45 0.91 3.30 -3.33 0.00 -1.26 -4.13 105.19 105.12 1x4m n GLY 33 Ca 0.10 -0.61 -0.16 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.51 -0.33 0.13 -0.02 0.00 -1.14 -4.95 105.19 98.38 1x4m n GLY 34 Ca 0.00 0.08 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.95 0.72 -0.00 1.61 1.02 -0.23 -3.86 120.64 115.94 1x4m n GLU 35 Ca -0.27 0.28 -0.01 0.00 -0.02 0.00 0.00 57.16 57.13 1x4m n GLU 35 Cb 0.66 -1.67 -0.01 0.00 -0.02 0.00 0.00 31.44 30.40 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 -0.09 0.00 -1.29 2.62 2.02 -1.69 -3.26 112.91 111.22 1x4m h THR 36 Ca -0.45 -0.64 0.37 0.00 0.77 0.00 0.00 66.41 66.46 1x4m h THR 36 Cb 1.92 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 68.27 1x4m h THR 36 CO 0.01 0.00 0.92 -0.29 0.37 0.00 0.00 175.52 176.52 1x4m h ILE 37 N -0.71 0.34 -0.72 3.11 2.10 -0.73 0.65 117.51 121.56 1x4m h ILE 37 Ca -0.01 -0.02 -0.06 0.00 1.08 0.00 0.00 64.86 65.85 1x4m h ILE 37 Cb 0.06 0.29 -0.03 0.00 -1.09 0.00 0.00 36.82 36.04 1x4m h ILE 37 CO 0.01 0.01 0.20 0.50 -1.08 0.00 0.00 178.15 177.79 1x4m h LYS 38 N 0.05 1.13 0.00 2.19 3.64 -1.67 -2.66 116.57 119.25 1x4m h LYS 38 Ca 0.64 -0.25 -0.15 0.00 -1.27 0.00 0.00 60.65 59.62 1x4m h LYS 38 Cb 2.42 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 34.06 1x4m h LYS 38 CO -0.07 0.98 -0.71 1.96 -2.27 0.00 0.00 179.45 179.34 1x4m h GLN 39 N 1.08 0.00 0.00 1.90 1.08 0.23 -3.04 115.11 116.36 1x4m h GLN 39 Ca 0.23 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 1x4m h GLN 39 Cb 0.34 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.77 1x4m h GLN 39 CO -0.00 0.71 0.00 -0.07 -0.95 0.00 0.00 178.83 178.51 1x4m h LEU 40 N 0.00 0.00 -0.68 1.46 3.38 -0.98 -2.06 115.31 116.43 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 1.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.08 1x4m h LEU 40 CO 0.09 0.00 -0.52 1.56 0.09 0.00 0.00 178.44 179.66 1x4m h GLN 41 N 0.00 0.38 0.07 1.13 4.20 -1.41 -3.04 115.11 116.43 1x4m h GLN 41 Ca 0.00 -0.22 -0.27 0.00 0.06 0.00 0.00 58.65 58.22 1x4m h GLN 41 Cb 0.23 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 1x4m h GLN 41 CO 0.00 0.81 -1.35 0.93 -0.67 0.00 0.00 178.83 178.55 1x4m h GLU 42 N 0.29 0.14 -0.08 1.46 4.39 -1.55 0.63 114.58 119.87 1x4m h GLU 42 Ca 0.01 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.47 1x4m h GLU 42 Cb 1.01 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.75 1x4m h GLU 42 CO 0.09 1.01 0.05 0.00 -1.16 0.00 0.00 179.01 179.00 1x4m h ARG 43 N 0.04 0.09 0.00 2.33 3.08 -1.44 -3.15 114.38 115.33 1x4m h ARG 43 Ca -0.16 -0.01 -0.16 0.00 0.07 0.00 0.00 59.98 59.72 1x4m h ARG 43 Cb 1.93 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.93 1x4m h ARG 43 CO 0.15 0.06 -1.62 0.00 -1.07 0.00 0.00 179.97 177.49 1x4m n ALA 44 N -2.53 1.78 -0.60 0.04 0.00 -1.15 -5.04 120.51 113.00 1x4m n ALA 44 Ca -0.02 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1x4m n ALA 44 Cb 0.09 0.10 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 2.56 1.33 3.11 0.00 0.00 0.20 -4.91 105.19 107.47 1x4m n GLY 45 Ca -0.16 -0.22 -0.08 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.11 0.31 -0.20 1.61 -7.23 0.12 -4.73 120.40 108.17 1x4m s VAL 46 Ca 0.00 -1.84 -0.20 0.00 -1.81 0.00 0.00 61.98 58.13 1x4m s VAL 46 Cb 0.00 -1.60 -0.03 0.00 0.56 0.00 0.00 36.38 35.31 1x4m s VAL 46 CO 0.00 -0.93 0.59 -0.75 -0.31 0.00 0.00 175.10 173.70 1x4m s LYS 47 N -3.91 4.19 -0.35 4.82 2.20 0.56 -4.27 119.74 122.99 1x4m s LYS 47 Ca 0.09 0.53 -0.11 0.00 -0.36 0.00 0.00 55.97 56.13 1x4m s LYS 47 Cb 0.07 -3.58 0.01 0.00 -1.51 0.00 0.00 37.83 32.82 1x4m s LYS 47 CO -0.08 -0.23 0.19 -1.64 -0.36 0.00 0.00 175.35 173.23 1x4m s MET 48 N 1.87 3.08 -0.21 4.03 -1.94 -1.26 -0.98 119.30 123.89 1x4m s MET 48 Ca 0.27 -0.90 0.02 0.00 -1.71 0.00 0.00 55.69 53.36 1x4m s MET 48 Cb -0.16 -3.67 0.04 0.00 2.01 0.00 0.00 34.83 33.06 1x4m s MET 48 CO 0.10 -0.56 -0.14 0.08 -0.01 0.00 0.00 175.02 174.48 1x4m s VAL 49 N 1.59 1.99 -0.09 -6.03 1.01 -0.37 -4.96 120.40 113.54 1x4m s VAL 49 Ca 0.03 -1.20 -0.30 0.00 0.00 0.00 0.00 61.98 60.51 1x4m s VAL 49 Cb -0.18 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 1x4m s VAL 49 CO 0.07 0.24 1.10 -0.04 0.00 0.00 0.00 175.10 176.46 1x4m s MET 50 N 1.25 4.38 -0.11 2.72 -1.94 -1.26 -0.53 119.30 123.81 1x4m s MET 50 Ca -0.02 1.52 -0.14 0.00 -1.71 0.00 0.00 55.69 55.35 1x4m s MET 50 Cb -0.16 -3.55 -0.05 0.00 2.01 0.00 0.00 34.83 33.07 1x4m s MET 50 CO -0.09 -0.39 0.32 0.42 -0.01 0.00 0.00 175.02 175.27 1x4m s ILE 51 N 2.16 5.25 -0.87 2.53 -1.09 0.13 -4.92 121.20 124.39 1x4m s ILE 51 Ca 0.52 0.61 -0.02 0.00 -2.23 0.00 0.00 60.65 59.53 1x4m s ILE 51 Cb -0.21 -3.64 0.35 0.00 -1.58 0.00 0.00 42.46 37.38 1x4m s ILE 51 CO 0.19 0.46 1.95 1.67 -1.23 0.00 0.00 174.94 177.98 1x4m n GLN 52 N 2.98 3.35 -3.40 2.79 -0.06 -1.26 -3.62 117.38 118.17 1x4m n GLN 52 Ca -0.13 -3.81 -0.27 0.00 -2.00 0.00 0.00 57.00 50.80 1x4m n GLN 52 Cb 0.52 -2.31 -0.08 0.00 -4.06 0.00 0.00 30.24 24.31 1x4m n GLN 52 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 1x4m n ASP 53 N -0.43 3.51 -4.05 1.69 2.03 -1.26 -5.06 116.55 112.98 1x4m n ASP 53 Ca 0.52 -3.39 -0.16 0.00 0.52 0.00 0.00 54.79 52.27 1x4m n ASP 53 Cb 0.25 -0.67 -0.13 0.00 -0.72 0.00 0.00 41.12 39.85 1x4m n ASP 53 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1x4m s GLY 54 N -2.40 0.51 1.24 0.27 0.00 -1.26 -4.82 107.32 100.85 1x4m s GLY 54 Ca 0.40 -0.59 -0.20 0.00 0.00 0.00 0.00 44.72 44.33 1x4m s GLY 54 CO -0.02 -0.58 1.11 2.56 0.00 0.00 0.00 173.10 176.18 1x4m s PRO 55 N -0.88 -1.51 0.00 2.90 0.04 -1.26 -4.97 135.00 129.31 1x4m s PRO 55 Ca -0.02 -0.17 0.00 0.00 0.04 0.00 0.00 61.00 60.85 1x4m s PRO 55 Cb -0.06 -1.57 0.00 0.00 0.04 0.00 0.00 34.50 32.90 1x4m s PRO 55 CO 0.00 -3.88 0.20 1.04 0.04 0.00 0.00 177.00 174.40 1x4m n GLN 56 N -4.86 1.03 -0.00 4.56 3.00 -1.26 -4.60 117.38 115.25 1x4m n GLN 56 Ca 0.15 -0.20 -0.17 0.00 -0.01 0.00 0.00 57.00 56.76 1x4m n GLN 56 Cb 0.60 -0.63 -0.14 0.00 0.00 0.00 0.00 30.24 30.07 1x4m n GLN 56 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.06 176.09 1x4m h ASN 57 N 0.00 0.27 -0.77 1.08 -1.24 -2.03 -3.36 115.58 109.53 1x4m h ASN 57 Ca 0.00 -0.95 -0.68 0.00 0.71 0.00 0.00 56.30 55.38 1x4m h ASN 57 Cb 0.13 -0.09 -0.08 0.00 0.73 0.00 0.00 38.32 39.01 1x4m h ASN 57 CO 0.00 1.20 2.56 1.07 -1.29 0.00 0.00 177.43 180.97 1x4m n THR 58 N -4.35 4.75 0.00 -3.57 5.66 -1.26 -4.93 114.28 110.57 1x4m n THR 58 Ca -0.12 -3.61 0.00 0.00 -3.05 0.00 0.00 64.05 57.27 1x4m n THR 58 Cb 0.66 -2.19 0.00 0.00 -1.55 0.00 0.00 70.33 67.25 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 2.22 2.26 3.64 1.09 0.00 -1.26 -4.80 105.19 108.34 1x4m n GLY 59 Ca 0.65 -0.27 -0.06 0.00 0.00 0.00 0.00 46.02 46.35 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 -1.50 -2.12 0.23 4.61 0.00 -1.26 -4.59 121.76 117.13 1x4m s ALA 60 Ca 0.00 1.98 -0.22 0.00 0.00 0.00 0.00 51.96 53.73 1x4m s ALA 60 Cb 0.00 -1.58 0.04 0.00 0.00 0.00 0.00 23.12 21.58 1x4m s ALA 60 CO 0.00 -0.27 0.66 -0.51 0.00 0.00 0.00 175.76 175.65 1x4m s ASP 61 N 0.64 -0.38 -0.20 0.00 1.11 -1.26 -4.51 116.67 112.06 1x4m s ASP 61 Ca -0.01 -0.37 -0.04 0.00 0.18 0.00 0.00 52.55 52.31 1x4m s ASP 61 Cb -0.04 0.67 0.07 0.00 1.07 0.00 0.00 42.92 44.69 1x4m s ASP 61 CO -0.10 -1.19 0.08 -0.54 1.18 0.00 0.00 175.17 174.60 1x4m s LYS 62 N -3.85 0.27 -0.20 8.23 -0.14 0.27 -4.62 119.74 119.70 1x4m s LYS 62 Ca 0.07 -0.28 -0.29 0.00 -1.36 0.00 0.00 55.97 54.11 1x4m s LYS 62 Cb -0.04 -1.82 -0.03 0.00 -1.68 0.00 0.00 37.83 34.26 1x4m s LYS 62 CO -0.01 -0.72 1.60 -1.25 -0.76 0.00 0.00 175.35 174.20 1x4m s PRO 63 N 2.03 3.87 -0.25 -1.68 0.04 -1.24 -0.57 135.00 137.21 1x4m s PRO 63 Ca 0.02 1.73 -0.12 0.00 0.04 0.00 0.00 61.00 62.67 1x4m s PRO 63 Cb -0.16 -4.01 -0.05 0.00 0.04 0.00 0.00 34.50 30.32 1x4m s PRO 63 CO -0.13 -1.20 0.25 -1.17 0.04 0.00 0.00 177.00 174.79 1x4m s LEU 64 N 4.94 4.09 -0.35 -3.56 2.96 0.65 -0.69 118.68 126.71 1x4m s LEU 64 Ca 0.70 0.20 -0.16 0.00 -0.22 0.00 0.00 54.13 54.65 1x4m s LEU 64 Cb -0.26 -2.25 -0.01 0.00 0.50 0.00 0.00 46.19 44.18 1x4m s LEU 64 CO 0.28 -0.03 0.42 -0.60 -1.32 0.00 0.00 176.35 175.10 1x4m s ARG 65 N 1.45 3.54 -0.48 1.98 3.52 0.31 -1.16 118.95 128.12 1x4m s ARG 65 Ca 0.11 -0.35 -0.13 0.00 -0.13 0.00 0.00 55.73 55.23 1x4m s ARG 65 Cb -0.15 -3.82 0.10 0.00 -1.56 0.00 0.00 34.95 29.52 1x4m s ARG 65 CO 0.08 -0.60 0.38 0.42 -0.81 0.00 0.00 175.30 174.77 1x4m s ILE 66 N 2.16 4.77 0.23 4.11 1.01 0.71 -1.24 121.20 132.95 1x4m s ILE 66 Ca 0.14 -1.41 0.03 0.00 0.00 0.00 0.00 60.65 59.41 1x4m s ILE 66 Cb -0.16 -3.97 -0.03 0.00 0.01 0.00 0.00 42.46 38.30 1x4m s ILE 66 CO 0.12 -0.67 0.38 0.42 0.00 0.00 0.00 174.94 175.19 1x4m s THR 67 N 1.52 5.24 0.00 2.92 -4.23 -0.16 -0.89 115.64 120.04 1x4m s THR 67 Ca 0.04 -0.72 0.00 0.00 -1.18 0.00 0.00 61.69 59.83 1x4m s THR 67 Cb -0.26 -3.81 0.00 0.00 1.34 0.00 0.00 72.50 69.77 1x4m s THR 67 CO 0.03 -0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.44 1x4m n GLY 68 N -1.14 -0.05 3.43 3.99 0.00 0.82 -0.32 105.19 111.92 1x4m n GLY 68 Ca -0.07 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 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 3.42 0.31 1.61 1.01 -1.26 -1.63 116.67 116.13 1x4m s ASP 69 Ca 0.00 -0.93 0.10 0.00 0.71 0.00 0.00 52.55 52.43 1x4m s ASP 69 Cb 0.00 -0.26 0.50 0.00 1.01 0.00 0.00 42.92 44.17 1x4m s ASP 69 CO 0.00 0.08 1.70 1.55 0.21 0.00 0.00 175.17 178.71 1x4m h PRO 70 N 2.87 0.08 0.00 8.23 0.13 -1.91 0.60 132.00 142.01 1x4m h PRO 70 Ca -0.44 -0.04 -0.12 0.00 -0.87 0.00 0.00 66.00 64.53 1x4m h PRO 70 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 1x4m h PRO 70 CO 0.53 0.55 -1.10 -0.92 -0.23 0.00 0.00 178.00 176.82 1x4m h TYR 71 N 0.07 0.00 0.00 1.56 5.03 -2.00 -3.32 116.97 118.31 1x4m h TYR 71 Ca 0.00 0.00 -0.10 0.00 2.58 0.00 0.00 58.73 61.21 1x4m h TYR 71 Cb 0.87 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.14 1x4m h TYR 71 CO 0.01 0.43 -0.96 1.63 -1.32 0.00 0.00 178.16 177.95 1x4m n LYS 72 N -2.92 0.51 -0.32 1.82 5.02 -1.15 -3.99 118.16 117.12 1x4m n LYS 72 Ca -0.05 0.48 0.21 0.00 -2.02 0.00 0.00 58.31 56.93 1x4m n LYS 72 Cb 0.75 -1.66 0.41 0.00 -0.02 0.00 0.00 35.03 34.51 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 0.21 -0.22 -0.18 2.07 0.01 1.31 116.25 118.45 1x4m h VAL 73 Ca -0.16 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 1x4m h VAL 73 Cb 0.89 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1x4m h VAL 73 CO -0.10 0.03 -0.01 0.06 0.02 0.00 0.00 177.57 177.58 1x4m h GLN 74 N 0.18 0.33 -0.00 1.57 3.07 -1.73 -1.65 115.11 116.89 1x4m h GLN 74 Ca 0.68 -0.06 -0.02 0.00 0.09 0.00 0.00 58.65 59.35 1x4m h GLN 74 Cb 1.54 -0.06 0.00 0.00 0.08 0.00 0.00 27.48 29.04 1x4m h GLN 74 CO -0.70 0.37 -0.06 1.96 0.09 0.00 0.00 178.83 180.49 1x4m h GLN 75 N 0.32 0.05 -0.84 0.06 1.08 0.15 -3.30 115.11 112.63 1x4m h GLN 75 Ca 0.07 -0.05 0.08 0.00 -1.45 0.00 0.00 58.65 57.31 1x4m h GLN 75 Cb 0.24 0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 27.61 1x4m h GLN 75 CO 0.01 0.80 0.50 0.00 -0.95 0.00 0.00 178.83 179.19 1x4m h ALA 76 N 0.24 1.18 -1.17 3.87 0.00 -0.93 -0.97 119.26 121.49 1x4m h ALA 76 Ca -0.01 0.02 0.33 0.00 0.00 0.00 0.00 54.91 55.25 1x4m h ALA 76 Cb 0.83 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 1x4m h ALA 76 CO 0.01 0.17 0.80 -0.22 0.00 0.00 0.00 179.25 180.01 1x4m h LYS 77 N 0.86 0.15 -0.01 0.00 3.64 -1.38 0.15 116.57 119.98 1x4m h LYS 77 Ca 0.39 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.66 1x4m h LYS 77 Cb 0.29 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1x4m h LYS 77 CO -0.22 0.10 -0.39 0.93 -2.27 0.00 0.00 179.45 177.60 1x4m h GLU 78 N 0.16 0.29 -0.60 1.90 4.39 -1.29 -1.43 114.58 117.99 1x4m h GLU 78 Ca 0.61 -0.29 0.10 0.00 0.34 0.00 0.00 59.36 60.12 1x4m h GLU 78 Cb 2.05 0.08 -0.08 0.00 -0.10 0.00 0.00 28.75 30.70 1x4m h GLU 78 CO -0.15 0.99 0.18 0.52 -1.16 0.00 0.00 179.01 179.38 1x4m h MET 79 N -0.30 0.32 0.13 2.33 2.86 -0.63 0.64 114.93 120.29 1x4m h MET 79 Ca -0.05 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1x4m h MET 79 Cb 1.11 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.70 1x4m h MET 79 CO 0.08 0.21 -0.06 0.28 1.06 0.00 0.00 176.91 178.48 1x4m h VAL 80 N 0.33 0.99 -0.99 -2.22 2.07 -1.41 -2.32 116.25 112.71 1x4m h VAL 80 Ca 0.31 -1.18 0.29 0.00 0.82 0.00 0.00 66.70 66.94 1x4m h VAL 80 Cb 0.42 1.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.80 1x4m h VAL 80 CO -0.35 0.25 0.71 -0.07 0.02 0.00 0.00 177.57 178.13 1x4m h LEU 81 N -0.80 0.02 0.00 2.57 3.38 -1.01 0.59 115.31 120.06 1x4m h LEU 81 Ca -0.02 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.75 1x4m h LEU 81 Cb 0.55 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1x4m h LEU 81 CO 0.03 0.00 -1.09 -0.08 0.09 0.00 0.00 178.44 177.39 1x4m h GLU 82 N 0.02 0.00 -0.17 1.13 4.57 -0.85 -1.84 114.58 117.43 1x4m h GLU 82 Ca 0.47 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.59 1x4m h GLU 82 Cb 1.87 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.45 1x4m h GLU 82 CO -0.02 0.78 -0.17 1.25 -1.18 0.00 0.00 179.01 179.67 1x4m h LEU 83 N 0.00 0.28 0.03 1.64 7.12 0.76 -3.10 115.31 122.04 1x4m h LEU 83 Ca -0.07 -0.07 -0.34 0.00 0.13 0.00 0.00 57.88 57.53 1x4m h LEU 83 Cb 1.75 -0.07 -0.05 0.00 -0.53 0.00 0.00 40.66 41.76 1x4m h LEU 83 CO 0.10 0.47 -2.03 2.30 -0.13 0.00 0.00 178.44 179.16 1x4m n ILE 84 N -4.22 1.60 -1.79 4.05 -6.64 -0.90 -4.86 119.36 106.59 1x4m n ILE 84 Ca -0.01 -0.74 -0.43 0.00 -1.77 0.00 0.00 62.75 59.81 1x4m n ILE 84 Cb 0.31 -1.16 -0.03 0.00 -1.44 0.00 0.00 39.64 37.32 1x4m n ILE 84 CO 0.00 0.00 0.00 -0.13 -1.77 0.00 0.00 176.55 174.65 1x4m s ARG 85 N -2.56 3.41 -0.30 6.28 0.52 -0.69 -4.93 118.95 120.69 1x4m s ARG 85 Ca -0.15 1.89 -0.10 0.00 -0.52 0.00 0.00 55.73 56.86 1x4m s ARG 85 Cb 0.07 -4.25 -0.02 0.00 0.52 0.00 0.00 34.95 31.28 1x4m s ARG 85 CO 0.78 -1.77 0.15 0.34 0.02 0.00 0.00 175.30 174.82 1x4m s ASP 86 N 6.61 5.60 -0.34 0.23 -1.08 -1.26 -4.87 116.67 121.56 1x4m s ASP 86 Ca 0.89 -0.40 -0.01 0.00 -0.52 0.00 0.00 52.55 52.51 1x4m s ASP 86 Cb -0.30 -2.02 0.08 0.00 -1.46 0.00 0.00 42.92 39.22 1x4m s ASP 86 CO 0.35 -0.16 0.07 -1.10 0.52 0.00 0.00 175.17 174.85 1x4m s GLN 87 N 1.64 2.15 -0.70 4.34 -0.21 -1.26 -5.06 119.66 120.57 1x4m s GLN 87 Ca 0.05 -1.53 -0.17 0.00 0.02 0.00 0.00 55.36 53.74 1x4m s GLN 87 Cb -0.17 -3.30 0.15 0.00 1.00 0.00 0.00 33.01 30.70 1x4m s GLN 87 CO 0.07 -0.81 0.73 0.20 -2.12 0.00 0.00 175.29 173.36 1x4m s GLY 88 N 1.38 2.17 0.24 3.09 0.00 -1.26 -4.91 107.32 108.03 1x4m s GLY 88 Ca 0.01 -2.74 -0.05 0.00 0.00 0.00 0.00 44.72 41.94 1x4m s GLY 88 CO -0.03 1.43 1.72 0.23 0.00 0.00 0.00 173.10 176.45 1x4m h SER 89 N 8.60 0.19 -3.30 1.64 0.87 -1.97 -3.41 113.55 116.17 1x4m h SER 89 Ca -0.10 0.12 -0.56 0.00 -1.23 0.00 0.00 61.79 60.01 1x4m h SER 89 Cb 1.07 0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 63.11 1x4m h SER 89 CO 0.97 0.06 -0.17 -0.83 -0.53 0.00 0.00 176.83 176.33 1x4m s GLY 90 N -3.43 2.32 0.00 5.77 0.00 -1.26 -4.97 107.32 105.75 1x4m s GLY 90 Ca -0.13 -0.31 0.15 0.00 0.00 0.00 0.00 44.72 44.43 1x4m s GLY 90 CO 0.76 -0.13 1.43 -1.55 0.00 0.00 0.00 173.10 173.61 1x4m n PRO 91 N 0.31 0.11 -0.29 2.90 -0.04 -1.26 -3.75 135.00 132.98 1x4m n PRO 91 Ca -0.03 0.20 -0.02 0.00 -0.04 0.00 0.00 63.50 63.60 1x4m n PRO 91 Cb 0.52 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.51 1x4m n PRO 91 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1x4m h SER 92 N 0.00 -1.25 -3.65 3.54 4.64 -1.93 -3.39 113.55 111.51 1x4m h SER 92 Ca 0.00 0.27 -0.67 0.00 -0.47 0.00 0.00 61.79 60.92 1x4m h SER 92 Cb 0.19 0.65 -0.17 0.00 -0.31 0.00 0.00 62.40 62.76 1x4m h SER 92 CO 0.00 -0.29 -0.77 -0.94 -0.87 0.00 0.00 176.83 173.96 1x4m s SER 93 N -5.26 4.16 0.00 4.97 1.04 -1.25 -5.25 113.70 112.12 1x4m s SER 93 Ca -0.14 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 55.84 1x4m s SER 93 Cb 0.19 -0.71 0.00 0.00 0.10 0.00 0.00 66.02 65.59 1x4m s SER 93 CO 0.71 0.19 0.00 0.61 0.98 0.00 0.00 173.24 175.72