#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 2.72 0.29 1.61 1.04 -1.26 -5.15 113.70 112.95 1x4m s SER 2 Ca 0.00 -0.68 0.09 0.00 0.48 0.00 0.00 55.95 55.84 1x4m s SER 2 Cb 0.00 -0.17 -0.06 0.00 0.10 0.00 0.00 66.02 65.90 1x4m s SER 2 CO 0.00 0.10 -0.11 -0.94 0.98 0.00 0.00 173.24 173.27 1x4m s SER 3 N -1.84 3.26 -0.31 7.02 1.04 -1.26 -5.08 113.70 116.53 1x4m s SER 3 Ca 0.08 -1.13 0.03 0.00 0.48 0.00 0.00 55.95 55.41 1x4m s SER 3 Cb -0.10 -0.26 0.32 0.00 0.10 0.00 0.00 66.02 66.09 1x4m s SER 3 CO 0.04 -0.19 1.41 0.61 0.98 0.00 0.00 173.24 176.10 1x4m n GLY 4 N -0.64 -1.75 3.64 7.32 0.00 -1.26 -5.13 105.19 107.38 1x4m n GLY 4 Ca -0.06 0.97 -0.43 0.00 0.00 0.00 0.00 46.02 46.51 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 -0.08 6.73 -0.36 1.61 0.15 -1.26 -4.99 113.70 115.50 1x4m s SER 5 Ca 0.21 1.41 -0.16 0.00 0.70 0.00 0.00 55.95 58.10 1x4m s SER 5 Cb 0.28 -2.54 -0.00 0.00 -1.71 0.00 0.00 66.02 62.05 1x4m s SER 5 CO -0.19 -0.99 0.42 -0.94 1.20 0.00 0.00 173.24 172.73 1x4m s SER 6 N 2.67 6.22 -0.44 5.45 1.04 -1.26 -4.98 113.70 122.40 1x4m s SER 6 Ca 0.57 -0.25 0.05 0.00 0.48 0.00 0.00 55.95 56.80 1x4m s SER 6 Cb -0.19 -2.22 0.19 0.00 0.10 0.00 0.00 66.02 63.90 1x4m s SER 6 CO 0.21 -0.43 0.50 0.61 0.98 0.00 0.00 173.24 175.11 1x4m n GLY 7 N 4.94 1.39 3.34 7.32 0.00 -1.26 -5.13 105.19 115.79 1x4m n GLY 7 Ca -0.07 -0.79 -0.18 0.00 0.00 0.00 0.00 46.02 44.98 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 0.14 1.62 0.00 1.61 0.00 -1.26 -5.08 115.29 112.33 1x4m s HIS 8 Ca 0.32 -0.76 0.00 0.00 -3.00 0.00 0.00 55.06 51.63 1x4m s HIS 8 Cb 0.06 -0.87 0.00 0.00 -4.00 0.00 0.00 32.58 27.76 1x4m s HIS 8 CO -0.15 0.15 0.00 0.41 -1.00 0.00 0.00 174.74 174.15 1x4m n GLY 9 N -0.40 2.02 2.99 -1.38 0.00 -1.26 -5.17 105.19 101.99 1x4m n GLY 9 Ca -0.07 -0.59 -0.14 0.00 0.00 0.00 0.00 46.02 45.22 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 0.62 0.02 1.61 1.01 -1.26 -5.16 116.67 113.51 1x4m s ASP 10 Ca 0.00 -0.29 -0.02 0.00 0.71 0.00 0.00 52.55 52.95 1x4m s ASP 10 Cb 0.00 -0.01 -0.02 0.00 1.01 0.00 0.00 42.92 43.90 1x4m s ASP 10 CO 0.00 -0.07 0.01 -0.83 0.21 0.00 0.00 175.17 174.49 1x4m s GLY 11 N -0.77 0.23 0.60 0.21 0.00 -1.26 -5.15 107.32 101.18 1x4m s GLY 11 Ca -0.04 -0.58 -0.17 0.00 0.00 0.00 0.00 44.72 43.93 1x4m s GLY 11 CO -0.00 -0.67 1.12 2.56 0.00 0.00 0.00 173.10 176.11 1x4m s PRO 12 N -1.83 3.10 0.00 2.90 0.04 -1.26 -4.96 135.00 132.99 1x4m s PRO 12 Ca -0.12 1.50 0.00 0.00 0.04 0.00 0.00 61.00 62.42 1x4m s PRO 12 Cb -0.07 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1x4m s PRO 12 CO -0.02 -1.03 0.00 0.41 0.04 0.00 0.00 177.00 176.40 1x4m n GLY 13 N -0.17 2.77 3.85 0.56 0.00 -1.26 -5.08 105.19 105.86 1x4m n GLY 13 Ca 0.11 -1.99 -0.37 0.00 0.00 0.00 0.00 46.02 43.77 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 6.51 0.25 1.61 -0.87 -1.26 -4.92 114.94 116.26 1x4m s ASN 14 Ca 0.00 0.61 -0.16 0.00 -1.57 0.00 0.00 52.86 51.74 1x4m s ASN 14 Cb 0.00 -2.13 -0.08 0.00 -0.02 0.00 0.00 41.25 39.01 1x4m s ASN 14 CO 0.00 0.35 0.69 0.00 -2.57 0.00 0.00 177.10 175.57 1x4m s ALA 15 N -0.87 3.41 -0.06 0.60 0.00 -0.83 -4.87 121.76 119.14 1x4m s ALA 15 Ca 0.17 0.04 -0.04 0.00 0.00 0.00 0.00 51.96 52.13 1x4m s ALA 15 Cb -0.13 -2.73 0.03 0.00 0.00 0.00 0.00 23.12 20.29 1x4m s ALA 15 CO 0.07 0.36 0.14 0.54 0.00 0.00 0.00 175.76 176.87 1x4m s VAL 16 N -1.72 -0.02 -0.05 0.00 0.11 -1.26 -0.45 120.40 117.00 1x4m s VAL 16 Ca 0.47 0.09 0.01 0.00 -2.93 0.00 0.00 61.98 59.62 1x4m s VAL 16 Cb -0.13 -0.22 0.02 0.00 -1.53 0.00 0.00 36.38 34.51 1x4m s VAL 16 CO 0.19 0.04 -0.07 -1.10 -3.33 0.00 0.00 175.10 170.83 1x4m s GLN 17 N 0.61 1.10 -0.17 1.54 -1.52 0.01 -4.95 119.66 116.28 1x4m s GLN 17 Ca -0.04 -0.19 -0.07 0.00 -1.95 0.00 0.00 55.36 53.10 1x4m s GLN 17 Cb -0.06 -1.04 -0.04 0.00 -0.22 0.00 0.00 33.01 31.64 1x4m s GLN 17 CO -0.03 -0.07 0.07 -1.21 -0.25 0.00 0.00 175.29 173.81 1x4m s GLU 18 N 0.93 3.86 0.01 2.91 2.02 -1.26 -0.31 118.70 126.86 1x4m s GLU 18 Ca -0.11 -0.31 0.03 0.00 0.02 0.00 0.00 54.97 54.60 1x4m s GLU 18 Cb -0.15 -3.20 -0.01 0.00 0.10 0.00 0.00 34.13 30.87 1x4m s GLU 18 CO 0.00 0.37 -0.08 0.96 0.02 0.00 0.00 175.26 176.54 1x4m s ILE 19 N 0.09 0.63 -0.13 -1.63 -0.00 -0.36 -4.94 121.20 114.88 1x4m s ILE 19 Ca 0.06 -0.50 -0.29 0.00 -0.00 0.00 0.00 60.65 59.91 1x4m s ILE 19 Cb -0.12 -0.56 -0.01 0.00 -0.00 0.00 0.00 42.46 41.76 1x4m s ILE 19 CO 0.00 0.07 1.11 0.00 -0.00 0.00 0.00 174.94 176.12 1x4m s MET 20 N -0.48 4.34 -0.07 0.37 0.23 -1.26 -0.15 119.30 122.26 1x4m s MET 20 Ca 0.01 1.51 0.05 0.00 -1.03 0.00 0.00 55.69 56.23 1x4m s MET 20 Cb -0.04 -3.60 -0.01 0.00 -1.53 0.00 0.00 34.83 29.64 1x4m s MET 20 CO -0.00 -0.48 -0.24 0.42 -2.03 0.00 0.00 175.02 172.69 1x4m s ILE 21 N 2.56 2.15 0.11 3.16 -1.09 -0.16 -4.92 121.20 123.01 1x4m s ILE 21 Ca 0.51 -1.02 -0.31 0.00 -2.23 0.00 0.00 60.65 57.60 1x4m s ILE 21 Cb -0.20 -1.80 -0.08 0.00 -1.58 0.00 0.00 42.46 38.81 1x4m s ILE 21 CO 0.16 0.57 1.36 -2.16 -1.23 0.00 0.00 174.94 173.63 1x4m s PRO 22 N -0.01 4.34 0.24 2.79 0.04 -1.26 0.25 135.00 141.38 1x4m s PRO 22 Ca -0.08 2.03 0.13 0.00 0.04 0.00 0.00 61.00 63.13 1x4m s PRO 22 Cb -0.15 -3.26 0.73 0.00 0.04 0.00 0.00 34.50 31.86 1x4m s PRO 22 CO 0.05 -0.40 1.36 0.00 0.04 0.00 0.00 177.00 178.05 1x4m n ALA 23 N 3.85 0.87 -0.04 8.56 0.00 -1.26 -0.44 120.51 132.05 1x4m n ALA 23 Ca 0.11 0.12 -0.08 0.00 0.00 0.00 0.00 53.44 53.59 1x4m n ALA 23 Cb 0.43 -1.04 -0.07 0.00 0.00 0.00 0.00 19.45 18.76 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 -0.03 1.17 0.00 0.02 -1.93 -3.33 113.55 109.45 1x4m h SER 24 Ca 0.00 -0.53 0.00 0.00 -0.84 0.00 0.00 61.79 60.42 1x4m h SER 24 Cb 0.21 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1x4m h SER 24 CO 0.00 0.71 -0.04 0.29 -1.14 0.00 0.00 176.83 176.65 1x4m n LYS 25 N -4.73 0.12 -0.10 3.45 4.76 -0.78 -3.75 118.16 117.12 1x4m n LYS 25 Ca -0.06 0.09 -0.07 0.00 -2.87 0.00 0.00 58.31 55.40 1x4m n LYS 25 Cb 0.27 -1.63 0.01 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 2.79 0.42 0.00 7.82 0.00 -0.86 -0.51 119.26 128.92 1x4m h ALA 26 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1x4m h ALA 26 Cb 0.61 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1x4m h ALA 26 CO 0.00 -0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.43 1x4m n GLY 27 N -1.21 -1.03 0.11 0.00 0.00 -1.25 -0.01 105.19 101.81 1x4m n GLY 27 Ca 0.01 0.09 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 1x4m n GLY 27 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1x4m h LEU 28 N 0.00 0.18 0.00 0.99 4.07 -1.32 -2.31 115.31 116.91 1x4m h LEU 28 Ca 0.00 -0.72 -0.16 0.00 0.08 0.00 0.00 57.88 57.08 1x4m h LEU 28 Cb 0.20 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 41.86 1x4m h LEU 28 CO 0.00 1.54 -0.77 1.62 -1.08 0.00 0.00 178.44 179.76 1x4m h VAL 29 N -0.63 1.30 0.16 1.22 3.04 -1.09 -3.32 116.25 116.94 1x4m h VAL 29 Ca -0.32 -2.84 -0.34 0.00 -1.01 0.00 0.00 66.70 62.19 1x4m h VAL 29 Cb 1.53 2.64 0.00 0.00 -2.01 0.00 0.00 31.29 33.45 1x4m h VAL 29 CO -0.07 0.74 -1.74 0.40 -1.01 0.00 0.00 177.57 175.89 1x4m h ILE 30 N 0.00 0.93 0.00 3.17 2.04 -0.61 -0.09 117.51 122.96 1x4m h ILE 30 Ca -0.01 -2.55 0.00 0.00 1.00 0.00 0.00 64.86 63.30 1x4m h ILE 30 Cb 1.59 2.73 0.00 0.00 -0.74 0.00 0.00 36.82 40.39 1x4m h ILE 30 CO 0.10 0.85 0.00 0.61 0.00 0.00 0.00 178.15 179.71 1x4m n GLY 31 N 1.84 -1.47 2.81 5.37 0.00 -0.87 -1.74 105.19 111.12 1x4m n GLY 31 Ca -0.24 -1.60 -0.38 0.00 0.00 0.00 0.00 46.02 43.80 1x4m n GLY 31 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x4m n LYS 32 N 0.00 2.95 0.00 1.61 4.76 -1.26 -4.45 118.16 121.77 1x4m n LYS 32 Ca 0.00 -3.39 0.00 0.00 -2.87 0.00 0.00 58.31 52.05 1x4m n LYS 32 Cb 0.00 -2.27 0.00 0.00 -1.84 0.00 0.00 35.03 30.92 1x4m n LYS 32 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x4m n GLY 33 N -0.19 1.27 2.18 0.72 0.00 -1.26 -4.83 105.19 103.09 1x4m n GLY 33 Ca 0.53 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.46 1x4m n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x4m n GLY 34 N 0.00 0.05 0.11 -0.02 0.00 -0.84 -4.97 105.19 99.52 1x4m n GLY 34 Ca 0.00 -0.20 -0.15 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.52 0.69 -0.09 1.61 4.71 -0.71 -4.01 120.64 120.33 1x4m n GLU 35 Ca -0.14 0.22 -0.11 0.00 -0.01 0.00 0.00 57.16 57.12 1x4m n GLU 35 Cb 0.58 -1.68 -0.05 0.00 -1.01 0.00 0.00 31.44 29.29 1x4m n GLU 35 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 1x4m n THR 36 N -3.21 1.46 -0.16 2.62 -1.04 -1.21 -4.17 114.28 108.58 1x4m n THR 36 Ca -0.30 0.11 0.29 0.00 -2.04 0.00 0.00 64.05 62.12 1x4m n THR 36 Cb 1.06 -2.28 0.70 0.00 -1.82 0.00 0.00 70.33 67.99 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 0.32 -0.36 12.58 2.10 -1.12 0.63 117.51 130.66 1x4m h ILE 37 Ca -0.12 0.00 -0.09 0.00 1.08 0.00 0.00 64.86 65.72 1x4m h ILE 37 Cb 0.83 0.42 -0.02 0.00 -1.09 0.00 0.00 36.82 36.96 1x4m h ILE 37 CO -0.08 0.00 -0.17 0.50 -1.08 0.00 0.00 178.15 177.33 1x4m h LYS 38 N 0.00 0.66 0.02 2.19 3.64 -1.74 -2.89 116.57 118.45 1x4m h LYS 38 Ca 0.42 -0.23 -0.20 0.00 -1.27 0.00 0.00 60.65 59.37 1x4m h LYS 38 Cb 1.97 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.72 1x4m h LYS 38 CO -0.00 0.79 -0.94 1.96 -2.27 0.00 0.00 179.45 178.99 1x4m h GLN 39 N 0.59 0.11 0.00 1.90 1.08 0.09 -3.16 115.11 115.72 1x4m h GLN 39 Ca 0.10 -0.15 -0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1x4m h GLN 39 Cb 0.62 0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 28.10 1x4m h GLN 39 CO 0.04 0.97 -0.01 -0.07 -0.95 0.00 0.00 178.83 178.80 1x4m h LEU 40 N 0.05 0.00 -1.25 1.46 3.38 -1.20 -0.91 115.31 116.84 1x4m h LEU 40 Ca -0.04 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 1x4m h LEU 40 Cb 1.62 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.35 1x4m h LEU 40 CO 0.14 0.01 -0.35 1.56 0.09 0.00 0.00 178.44 179.89 1x4m h GLN 41 N 0.00 0.04 0.10 1.13 4.20 -1.50 -2.87 115.11 116.21 1x4m h GLN 41 Ca -0.00 -0.01 -0.24 0.00 0.06 0.00 0.00 58.65 58.45 1x4m h GLN 41 Cb 0.06 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 1x4m h GLN 41 CO 0.00 0.39 -1.22 0.93 -0.67 0.00 0.00 178.83 178.26 1x4m h GLU 42 N 0.03 0.21 -0.72 1.46 5.08 -1.35 1.02 114.58 120.31 1x4m h GLU 42 Ca 0.00 -0.36 0.21 0.00 -1.00 0.00 0.00 59.36 58.21 1x4m h GLU 42 Cb 0.64 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 1x4m h GLU 42 CO 0.05 1.17 0.55 0.00 -1.00 0.00 0.00 179.01 179.78 1x4m h ARG 43 N -0.42 0.00 0.00 2.33 3.08 -1.43 -2.49 114.38 115.45 1x4m h ARG 43 Ca -0.26 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.71 1x4m h ARG 43 Cb 1.65 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.68 1x4m h ARG 43 CO 0.04 0.00 -1.37 0.00 -1.07 0.00 0.00 179.97 177.57 1x4m n ALA 44 N -2.63 1.95 -1.48 0.04 0.00 -1.09 -5.05 120.51 112.25 1x4m n ALA 44 Ca 0.14 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1x4m n ALA 44 Cb 0.82 0.04 0.00 0.00 0.00 0.00 0.00 19.45 20.31 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 2.51 0.46 3.31 0.00 0.00 0.30 -4.85 105.19 106.91 1x4m n GLY 45 Ca -0.07 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.48 0.06 -0.24 1.61 -7.23 0.20 -4.64 120.40 107.66 1x4m s VAL 46 Ca 0.00 -0.50 -0.21 0.00 -1.81 0.00 0.00 61.98 59.47 1x4m s VAL 46 Cb 0.00 -0.95 -0.02 0.00 0.56 0.00 0.00 36.38 35.97 1x4m s VAL 46 CO 0.00 -0.27 0.66 -0.75 -0.31 0.00 0.00 175.10 174.42 1x4m s LYS 47 N -2.49 4.14 -0.27 4.82 2.20 0.77 -4.11 119.74 124.80 1x4m s LYS 47 Ca -0.05 0.61 -0.10 0.00 -0.36 0.00 0.00 55.97 56.07 1x4m s LYS 47 Cb -0.01 -3.64 -0.05 0.00 -1.51 0.00 0.00 37.83 32.63 1x4m s LYS 47 CO -0.03 -0.40 0.17 -1.64 -0.36 0.00 0.00 175.35 173.09 1x4m s MET 48 N 2.46 3.90 -0.21 4.03 -1.94 -1.26 -0.85 119.30 125.43 1x4m s MET 48 Ca 0.28 -0.35 0.00 0.00 -1.71 0.00 0.00 55.69 53.91 1x4m s MET 48 Cb -0.16 -3.59 0.05 0.00 2.01 0.00 0.00 34.83 33.15 1x4m s MET 48 CO 0.09 -0.17 -0.06 0.08 -0.01 0.00 0.00 175.02 174.95 1x4m s VAL 49 N 1.70 1.39 -0.19 -6.03 1.01 0.17 -4.99 120.40 113.46 1x4m s VAL 49 Ca 0.07 -1.00 -0.29 0.00 0.00 0.00 0.00 61.98 60.76 1x4m s VAL 49 Cb -0.16 -1.61 -0.00 0.00 0.00 0.00 0.00 36.38 34.61 1x4m s VAL 49 CO 0.09 0.00 1.15 -0.04 0.00 0.00 0.00 175.10 176.31 1x4m s MET 50 N 1.48 4.25 -0.47 2.72 -1.94 -1.26 0.16 119.30 124.24 1x4m s MET 50 Ca -0.03 1.52 -0.18 0.00 -1.71 0.00 0.00 55.69 55.28 1x4m s MET 50 Cb -0.17 -3.70 0.04 0.00 2.01 0.00 0.00 34.83 33.01 1x4m s MET 50 CO -0.07 -0.66 0.55 0.42 -0.01 0.00 0.00 175.02 175.25 1x4m s ILE 51 N 3.32 4.97 -0.99 2.53 -1.09 0.26 -4.91 121.20 125.28 1x4m s ILE 51 Ca 0.50 -0.42 -0.13 0.00 -2.23 0.00 0.00 60.65 58.37 1x4m s ILE 51 Cb -0.19 -4.19 0.23 0.00 -1.58 0.00 0.00 42.46 36.73 1x4m s ILE 51 CO 0.11 -0.64 1.01 0.00 -1.23 0.00 0.00 174.94 174.18 1x4m s GLN 52 N 2.41 3.89 0.15 2.79 -2.07 -1.26 -3.06 119.66 122.50 1x4m s GLN 52 Ca 0.14 -2.69 0.07 0.00 -1.82 0.00 0.00 55.36 51.05 1x4m s GLN 52 Cb -0.18 -4.59 -0.04 0.00 -1.09 0.00 0.00 33.01 27.10 1x4m s GLN 52 CO 0.13 -1.37 -0.15 0.34 -1.32 0.00 0.00 175.29 172.92 1x4m s ASP 53 N 2.06 2.21 0.00 12.60 2.15 -1.26 -5.10 116.67 129.33 1x4m s ASP 53 Ca 0.27 -0.88 0.00 0.00 0.43 0.00 0.00 52.55 52.37 1x4m s ASP 53 Cb -0.09 -0.09 0.00 0.00 -0.30 0.00 0.00 42.92 42.44 1x4m s ASP 53 CO -0.08 -0.15 0.00 0.61 -0.17 0.00 0.00 175.17 175.39 1x4m n GLY 54 N 0.26 -1.62 3.77 2.66 0.00 -1.26 -4.91 105.19 104.10 1x4m n GLY 54 Ca -0.13 -1.55 -0.33 0.00 0.00 0.00 0.00 46.02 44.01 1x4m n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4m s PRO 55 N -1.95 2.92 -0.04 1.61 0.04 -1.26 -4.98 135.00 131.35 1x4m s PRO 55 Ca 0.00 1.44 0.21 0.00 0.04 0.00 0.00 61.00 62.69 1x4m s PRO 55 Cb 0.00 -1.96 -0.32 0.00 0.04 0.00 0.00 34.50 32.26 1x4m s PRO 55 CO 0.00 -1.16 0.43 0.00 0.04 0.00 0.00 177.00 176.32 1x4m n GLN 56 N -2.17 0.65 0.29 4.56 10.64 -1.26 -3.38 117.38 126.71 1x4m n GLN 56 Ca 0.11 -0.18 -0.12 0.00 -1.83 0.00 0.00 57.00 54.98 1x4m n GLN 56 Cb 0.52 -1.50 -0.06 0.00 -0.86 0.00 0.00 30.24 28.34 1x4m n GLN 56 CO 0.00 0.00 0.00 -0.91 -1.83 0.00 0.00 177.06 174.32 1x4m h ASN 57 N 0.00 -0.65 0.13 2.61 2.35 -2.00 -1.83 115.58 116.19 1x4m h ASN 57 Ca -0.04 0.02 -0.29 0.00 -0.55 0.00 0.00 56.30 55.44 1x4m h ASN 57 Cb 1.05 0.17 0.03 0.00 0.05 0.00 0.00 38.32 39.62 1x4m h ASN 57 CO 0.00 -0.38 -1.23 0.00 -1.65 0.00 0.00 177.43 174.18 1x4m h THR 58 N -0.94 1.30 0.00 2.81 1.03 -2.01 -3.38 112.91 111.72 1x4m h THR 58 Ca -0.08 -2.47 0.00 0.00 -0.01 0.00 0.00 66.41 63.86 1x4m h THR 58 Cb 0.59 2.75 0.00 0.00 -1.07 0.00 0.00 68.15 70.41 1x4m h THR 58 CO 0.13 0.75 0.00 0.61 -0.01 0.00 0.00 175.52 177.00 1x4m n GLY 59 N 1.41 -2.24 2.44 2.99 0.00 -1.22 -4.93 105.19 103.65 1x4m n GLY 59 Ca -0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.98 -0.53 -3.58 4.61 0.00 -0.69 -5.00 120.51 113.34 1x4m n ALA 60 Ca 0.00 0.16 -0.09 0.00 0.00 0.00 0.00 53.44 53.51 1x4m n ALA 60 Cb 0.00 -2.35 -0.02 0.00 0.00 0.00 0.00 19.45 17.08 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 -2.81 -0.40 -0.12 0.00 -4.77 -1.26 -4.45 116.67 102.86 1x4m s ASP 61 Ca 0.16 -0.18 -0.02 0.00 -3.30 0.00 0.00 52.55 49.21 1x4m s ASP 61 Cb -0.07 0.56 0.04 0.00 -1.09 0.00 0.00 42.92 42.36 1x4m s ASP 61 CO 0.20 -0.95 -0.00 -0.54 0.70 0.00 0.00 175.17 174.57 1x4m s LYS 62 N -3.57 0.80 -0.33 2.11 -0.14 0.14 -4.89 119.74 113.87 1x4m s LYS 62 Ca 0.06 -0.16 -0.29 0.00 -1.36 0.00 0.00 55.97 54.22 1x4m s LYS 62 Cb -0.02 -1.50 -0.01 0.00 -1.68 0.00 0.00 37.83 34.62 1x4m s LYS 62 CO -0.06 -0.42 1.69 -1.25 -0.76 0.00 0.00 175.35 174.55 1x4m s PRO 63 N 1.88 3.45 -0.18 -1.68 0.04 -1.17 -0.99 135.00 136.35 1x4m s PRO 63 Ca 0.03 1.36 -0.18 0.00 0.04 0.00 0.00 61.00 62.24 1x4m s PRO 63 Cb -0.14 -4.14 -0.03 0.00 0.04 0.00 0.00 34.50 30.23 1x4m s PRO 63 CO -0.07 -1.71 0.51 -1.17 0.04 0.00 0.00 177.00 174.60 1x4m s LEU 64 N 6.33 4.18 -0.36 -3.56 2.96 0.78 -0.58 118.68 128.44 1x4m s LEU 64 Ca 0.75 0.71 -0.15 0.00 -0.22 0.00 0.00 54.13 55.22 1x4m s LEU 64 Cb -0.21 -2.71 -0.01 0.00 0.50 0.00 0.00 46.19 43.77 1x4m s LEU 64 CO 0.33 -0.14 0.35 -0.60 -1.32 0.00 0.00 176.35 174.97 1x4m s ARG 65 N 1.38 3.45 -0.48 1.98 3.52 0.12 -1.22 118.95 127.71 1x4m s ARG 65 Ca 0.25 -0.54 -0.13 0.00 -0.13 0.00 0.00 55.73 55.18 1x4m s ARG 65 Cb -0.15 -3.84 0.11 0.00 -1.56 0.00 0.00 34.95 29.50 1x4m s ARG 65 CO 0.10 -0.57 0.39 0.42 -0.81 0.00 0.00 175.30 174.83 1x4m s ILE 66 N 1.96 4.75 0.15 4.11 1.01 0.58 -0.66 121.20 133.10 1x4m s ILE 66 Ca 0.10 -1.47 0.02 0.00 0.00 0.00 0.00 60.65 59.30 1x4m s ILE 66 Cb -0.17 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 1x4m s ILE 66 CO 0.12 -0.72 0.30 0.42 0.00 0.00 0.00 174.94 175.06 1x4m s THR 67 N 1.51 5.31 0.00 2.92 -4.23 -0.03 -0.81 115.64 120.31 1x4m s THR 67 Ca 0.04 -0.59 0.00 0.00 -1.18 0.00 0.00 61.69 59.96 1x4m s THR 67 Cb -0.26 -3.73 0.00 0.00 1.34 0.00 0.00 72.50 69.85 1x4m s THR 67 CO 0.03 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 1x4m n GLY 68 N -0.48 -0.41 3.47 3.99 0.00 0.40 -0.16 105.19 112.01 1x4m n GLY 68 Ca -0.06 0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 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 3.57 0.33 1.61 1.11 -1.26 -1.96 116.67 116.07 1x4m s ASP 69 Ca 0.00 -1.04 0.13 0.00 0.18 0.00 0.00 52.55 51.81 1x4m s ASP 69 Cb 0.00 -0.30 0.58 0.00 1.07 0.00 0.00 42.92 44.28 1x4m s ASP 69 CO 0.00 0.02 1.74 1.55 1.18 0.00 0.00 175.17 179.65 1x4m h PRO 70 N 2.26 0.00 0.00 8.23 0.13 -1.91 0.52 132.00 141.23 1x4m h PRO 70 Ca -0.40 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.72 1x4m h PRO 70 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 1x4m h PRO 70 CO 0.61 0.47 -1.31 0.98 -0.23 0.00 0.00 178.00 178.52 1x4m n TYR 71 N -3.92 0.70 -0.10 1.56 4.19 -1.26 -4.01 117.16 114.32 1x4m n TYR 71 Ca -0.01 0.20 -0.16 0.00 3.31 0.00 0.00 57.90 61.24 1x4m n TYR 71 Cb 0.50 -0.84 -0.07 0.00 0.49 0.00 0.00 39.34 39.42 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 -2.57 0.53 -0.37 2.98 5.02 -1.14 -4.02 118.16 118.59 1x4m n LYS 72 Ca -0.02 0.43 0.29 0.00 -2.02 0.00 0.00 58.31 56.99 1x4m n LYS 72 Cb 0.57 -1.62 0.58 0.00 -0.02 0.00 0.00 35.03 34.54 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 0.37 -0.04 -0.18 2.07 -0.18 1.11 116.25 118.40 1x4m h VAL 73 Ca -0.26 -0.09 -0.10 0.00 0.82 0.00 0.00 66.70 67.07 1x4m h VAL 73 Cb 1.09 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1x4m h VAL 73 CO -0.16 0.05 -0.43 0.06 0.02 0.00 0.00 177.57 177.11 1x4m h GLN 74 N 0.25 0.08 0.02 1.57 3.07 -1.73 -2.29 115.11 116.08 1x4m h GLN 74 Ca 0.68 -0.04 -0.00 0.00 0.09 0.00 0.00 58.65 59.38 1x4m h GLN 74 Cb 1.95 -0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.51 1x4m h GLN 74 CO -0.32 0.50 -0.01 1.96 0.09 0.00 0.00 178.83 181.05 1x4m h GLN 75 N 0.07 -0.03 -0.97 0.06 1.08 0.10 -3.32 115.11 112.10 1x4m h GLN 75 Ca 0.00 0.00 0.14 0.00 -1.45 0.00 0.00 58.65 57.34 1x4m h GLN 75 Cb 0.79 0.01 -0.09 0.00 -0.05 0.00 0.00 27.48 28.14 1x4m h GLN 75 CO 0.06 0.66 0.59 0.00 -0.95 0.00 0.00 178.83 179.19 1x4m h ALA 76 N -0.22 1.50 -0.58 3.87 0.00 -1.12 -1.60 119.26 121.10 1x4m h ALA 76 Ca -0.00 0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.07 1x4m h ALA 76 Cb 0.70 -0.15 -0.10 0.00 0.00 0.00 0.00 17.79 18.24 1x4m h ALA 76 CO 0.00 0.11 -0.02 -0.22 0.00 0.00 0.00 179.25 179.13 1x4m h LYS 77 N 0.88 0.10 -0.80 0.00 3.64 -1.52 0.02 116.57 118.89 1x4m h LYS 77 Ca 0.51 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.86 1x4m h LYS 77 Cb 0.60 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.36 1x4m h LYS 77 CO -0.30 0.06 0.40 0.93 -2.27 0.00 0.00 179.45 178.27 1x4m h GLU 78 N 0.10 1.13 -0.44 1.90 4.39 -1.39 0.23 114.58 120.50 1x4m h GLU 78 Ca 0.30 -0.15 0.05 0.00 0.34 0.00 0.00 59.36 59.90 1x4m h GLU 78 Cb 0.47 -0.21 -0.05 0.00 -0.10 0.00 0.00 28.75 28.87 1x4m h GLU 78 CO -0.51 0.86 0.16 0.52 -1.16 0.00 0.00 179.01 178.88 1x4m h MET 79 N 1.12 0.32 0.15 2.33 2.86 -0.77 -0.01 114.93 120.92 1x4m h MET 79 Ca 0.28 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.89 1x4m h MET 79 Cb 0.09 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.67 1x4m h MET 79 CO -0.04 0.21 -0.07 0.28 1.06 0.00 0.00 176.91 178.35 1x4m h VAL 80 N 0.33 0.98 -1.01 -2.22 2.07 -1.01 -2.24 116.25 113.16 1x4m h VAL 80 Ca 0.20 -1.03 0.24 0.00 0.82 0.00 0.00 66.70 66.93 1x4m h VAL 80 Cb 0.19 1.57 -0.11 0.00 -1.52 0.00 0.00 31.29 31.42 1x4m h VAL 80 CO -0.20 0.22 0.62 -0.07 0.02 0.00 0.00 177.57 178.16 1x4m h LEU 81 N -0.74 0.63 -0.52 2.57 3.38 -0.83 0.39 115.31 120.19 1x4m h LEU 81 Ca -0.02 0.11 -0.16 0.00 0.09 0.00 0.00 57.88 57.90 1x4m h LEU 81 Cb 0.52 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1x4m h LEU 81 CO 0.03 0.13 -0.71 -0.08 0.09 0.00 0.00 178.44 177.91 1x4m h GLU 82 N 0.57 0.19 -0.22 1.13 4.81 -1.00 -2.62 114.58 117.44 1x4m h GLU 82 Ca 0.62 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.68 1x4m h GLU 82 Cb 1.24 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.64 1x4m h GLU 82 CO -0.41 0.82 0.09 1.25 -0.73 0.00 0.00 179.01 180.03 1x4m h LEU 83 N 0.13 0.27 0.00 1.64 7.12 0.40 -1.46 115.31 123.41 1x4m h LEU 83 Ca -0.02 -0.02 0.00 0.00 0.13 0.00 0.00 57.88 57.97 1x4m h LEU 83 Cb 1.26 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 41.32 1x4m h LEU 83 CO 0.11 0.25 -0.80 0.16 -0.13 0.00 0.00 178.44 178.02 1x4m h ILE 84 N 0.30 0.00 -4.19 4.05 3.07 -1.34 -3.47 117.51 115.93 1x4m h ILE 84 Ca 0.08 -0.64 -0.46 0.00 1.55 0.00 0.00 64.86 65.38 1x4m h ILE 84 Cb 0.06 1.16 0.09 0.00 -0.27 0.00 0.00 36.82 37.86 1x4m h ILE 84 CO -0.01 0.00 0.33 -0.13 -1.05 0.00 0.00 178.15 177.29 1x4m s ARG 85 N -3.23 1.99 0.03 0.16 0.52 -0.55 -4.95 118.95 112.92 1x4m s ARG 85 Ca 0.04 -0.09 -0.28 0.00 -0.52 0.00 0.00 55.73 54.88 1x4m s ARG 85 Cb 0.12 -2.04 0.10 0.00 0.52 0.00 0.00 34.95 33.65 1x4m s ARG 85 CO 0.75 -1.48 1.23 0.16 0.02 0.00 0.00 175.30 175.98 1x4m s ASP 86 N -4.57 -0.02 -0.21 0.23 1.47 -1.26 -4.96 116.67 107.35 1x4m s ASP 86 Ca 0.62 -0.28 -0.29 0.00 1.18 0.00 0.00 52.55 53.78 1x4m s ASP 86 Cb -0.10 0.23 -0.03 0.00 -0.34 0.00 0.00 42.92 42.67 1x4m s ASP 86 CO 0.47 -0.44 1.67 -1.58 0.68 0.00 0.00 175.17 175.97 1x4m s GLN 87 N -2.19 3.76 -0.34 2.11 2.00 -1.26 -4.97 119.66 118.77 1x4m s GLN 87 Ca 0.23 1.72 0.01 0.00 -2.00 0.00 0.00 55.36 55.33 1x4m s GLN 87 Cb 0.00 -4.07 0.09 0.00 0.80 0.00 0.00 33.01 29.84 1x4m s GLN 87 CO -0.00 -1.34 0.06 0.20 -0.50 0.00 0.00 175.29 173.71 1x4m s GLY 88 N 4.52 1.88 -0.92 2.59 0.00 -1.26 -5.04 107.32 109.09 1x4m s GLY 88 Ca 0.74 -2.31 -0.25 0.00 0.00 0.00 0.00 44.72 42.90 1x4m s GLY 88 CO 0.30 0.88 2.15 -0.56 0.00 0.00 0.00 173.10 175.87 1x4m s SER 89 N 1.21 4.40 0.10 1.64 0.01 -1.26 -4.63 113.70 115.17 1x4m s SER 89 Ca 0.05 -0.57 0.00 0.00 1.31 0.00 0.00 55.95 56.74 1x4m s SER 89 Cb -0.20 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.46 1x4m s SER 89 CO -0.06 -3.52 0.00 0.61 0.41 0.00 0.00 173.24 170.69 1x4m n GLY 90 N 6.61 -3.04 3.77 3.44 0.00 -1.26 -4.96 105.19 109.76 1x4m n GLY 90 Ca 0.43 -1.21 -0.34 0.00 0.00 0.00 0.00 46.02 44.90 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 -4.39 3.11 0.01 1.61 0.04 -1.26 -5.07 135.00 129.05 1x4m s PRO 91 Ca 0.00 1.51 0.01 0.00 0.04 0.00 0.00 61.00 62.56 1x4m s PRO 91 Cb 0.00 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.55 1x4m s PRO 91 CO 0.00 -1.02 -0.05 0.45 0.04 0.00 0.00 177.00 176.42 1x4m s SER 92 N -2.14 0.51 -0.30 6.66 0.15 -1.26 -5.14 113.70 112.18 1x4m s SER 92 Ca 0.70 -0.24 -0.04 0.00 0.70 0.00 0.00 55.95 57.08 1x4m s SER 92 Cb -0.22 -0.01 0.17 0.00 -1.71 0.00 0.00 66.02 64.25 1x4m s SER 92 CO 0.33 -0.06 0.62 -0.55 1.20 0.00 0.00 173.24 174.79 1x4m s SER 93 N -0.62 -1.31 0.00 5.45 0.15 -1.26 -5.28 113.70 110.83 1x4m s SER 93 Ca -0.04 1.06 0.00 0.00 0.70 0.00 0.00 55.95 57.67 1x4m s SER 93 Cb -0.05 2.20 0.00 0.00 -1.71 0.00 0.00 66.02 66.46 1x4m s SER 93 CO -0.00 -0.25 0.29 0.61 1.20 0.00 0.00 173.24 175.09