#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 6.16 -0.28 1.61 0.01 -1.26 -5.12 113.70 114.82 1x4m s SER 2 Ca 0.00 -0.03 -0.15 0.00 1.31 0.00 0.00 55.95 57.07 1x4m s SER 2 Cb 0.00 -1.62 0.10 0.00 0.21 0.00 0.00 66.02 64.71 1x4m s SER 2 CO 0.00 -0.19 0.74 -0.44 0.41 0.00 0.00 173.24 173.76 1x4m s SER 3 N -4.04 -0.89 0.00 2.44 0.01 -1.26 -5.17 113.70 104.80 1x4m s SER 3 Ca 0.38 1.39 0.00 0.00 1.31 0.00 0.00 55.95 59.02 1x4m s SER 3 Cb -0.09 1.46 0.00 0.00 0.21 0.00 0.00 66.02 67.60 1x4m s SER 3 CO 0.30 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.34 1x4m n GLY 4 N 4.35 5.25 3.08 3.44 0.00 -1.26 -5.17 105.19 114.88 1x4m n GLY 4 Ca -0.19 -1.52 -0.12 0.00 0.00 0.00 0.00 46.02 44.19 1x4m n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4m s SER 5 N 1.00 -0.17 -0.14 1.61 0.01 -1.26 -5.07 113.70 109.69 1x4m s SER 5 Ca 0.00 0.29 -0.25 0.00 1.31 0.00 0.00 55.95 57.30 1x4m s SER 5 Cb 0.00 0.36 -0.23 0.00 0.21 0.00 0.00 66.02 66.37 1x4m s SER 5 CO 0.00 -0.12 0.66 0.28 0.41 0.00 0.00 173.24 174.47 1x4m h SER 6 N 5.56 0.00 -4.41 2.44 0.02 -2.09 -3.50 113.55 111.58 1x4m h SER 6 Ca -0.26 -0.87 0.00 0.00 -0.84 0.00 0.00 61.79 59.82 1x4m h SER 6 Cb 1.20 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.71 1x4m h SER 6 CO 0.39 0.94 -0.80 0.61 -1.14 0.00 0.00 176.83 176.84 1x4m n GLY 7 N 1.63 -4.05 3.26 -3.77 0.00 -1.26 -4.96 105.19 96.04 1x4m n GLY 7 Ca -0.09 0.49 -0.43 0.00 0.00 0.00 0.00 46.02 45.99 1x4m n GLY 7 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1x4m s HIS 8 N -0.91 3.75 0.65 1.61 0.09 -1.26 -5.06 115.29 114.16 1x4m s HIS 8 Ca -0.06 -2.33 -0.17 0.00 -0.00 0.00 0.00 55.06 52.50 1x4m s HIS 8 Cb 0.00 -3.63 -0.01 0.00 -0.00 0.00 0.00 32.58 28.95 1x4m s HIS 8 CO 0.53 -0.93 1.23 0.20 -0.00 0.00 0.00 174.74 175.78 1x4m s GLY 9 N 1.52 2.66 0.00 -2.22 0.00 -1.26 -5.00 107.32 103.02 1x4m s GLY 9 Ca 0.20 1.03 0.00 0.00 0.00 0.00 0.00 44.72 45.95 1x4m s GLY 9 CO -0.08 1.43 0.00 2.09 0.00 0.00 0.00 173.10 176.55 1x4m n ASP 10 N -2.02 0.00 0.00 1.64 5.75 -1.26 -4.98 116.55 115.69 1x4m n ASP 10 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.92 1x4m n ASP 10 Cb 0.49 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 1x4m n ASP 10 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1x4m n GLY 11 N 2.55 -1.08 0.21 6.12 0.00 -1.26 -4.97 105.19 106.77 1x4m n GLY 11 Ca 0.00 0.31 0.08 0.00 0.00 0.00 0.00 46.02 46.41 1x4m n GLY 11 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4m h PRO 12 N 0.00 0.00 0.00 1.61 0.13 -2.03 -3.48 132.00 128.23 1x4m h PRO 12 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1x4m h PRO 12 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1x4m h PRO 12 CO 0.00 0.29 0.00 0.41 -0.23 0.00 0.00 178.00 178.47 1x4m n GLY 13 N -0.09 -0.56 3.65 1.56 0.00 -1.26 -5.11 105.19 103.38 1x4m n GLY 13 Ca -0.01 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 44.83 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 -4.00 6.74 -0.03 1.61 0.01 -1.26 -4.61 114.94 113.39 1x4m s ASN 14 Ca 0.00 1.80 -0.16 0.00 -0.71 0.00 0.00 52.86 53.79 1x4m s ASN 14 Cb 0.00 -2.54 -0.05 0.00 0.41 0.00 0.00 41.25 39.07 1x4m s ASN 14 CO 0.00 -0.93 0.43 0.00 -1.51 0.00 0.00 177.10 175.09 1x4m s ALA 15 N 4.03 3.63 -0.08 0.60 0.00 -0.89 -4.88 121.76 124.17 1x4m s ALA 15 Ca 0.63 -0.21 -0.01 0.00 0.00 0.00 0.00 51.96 52.38 1x4m s ALA 15 Cb -0.25 -2.46 0.03 0.00 0.00 0.00 0.00 23.12 20.43 1x4m s ALA 15 CO 0.22 0.35 -0.03 0.54 0.00 0.00 0.00 175.76 176.84 1x4m s VAL 16 N -0.62 0.57 0.07 0.00 0.11 -1.26 -0.24 120.40 119.04 1x4m s VAL 16 Ca 0.24 -0.02 0.08 0.00 -2.93 0.00 0.00 61.98 59.35 1x4m s VAL 16 Cb -0.16 -0.67 -0.04 0.00 -1.53 0.00 0.00 36.38 33.98 1x4m s VAL 16 CO 0.13 0.28 -0.17 -1.58 -3.33 0.00 0.00 175.10 170.43 1x4m s GLN 17 N 1.74 1.98 -0.06 1.54 2.00 -0.42 -4.94 119.66 121.50 1x4m s GLN 17 Ca 0.02 -1.05 0.05 0.00 -2.00 0.00 0.00 55.36 52.39 1x4m s GLN 17 Cb -0.13 -2.18 -0.01 0.00 0.80 0.00 0.00 33.01 31.49 1x4m s GLN 17 CO -0.05 0.52 -0.23 -1.21 -0.50 0.00 0.00 175.29 173.82 1x4m s GLU 18 N -1.78 2.62 0.14 1.67 2.02 -1.26 -0.23 118.70 121.88 1x4m s GLU 18 Ca 0.17 -0.86 0.03 0.00 0.02 0.00 0.00 54.97 54.33 1x4m s GLU 18 Cb -0.11 -2.23 -0.04 0.00 0.10 0.00 0.00 34.13 31.85 1x4m s GLU 18 CO 0.08 0.40 -0.08 0.96 0.02 0.00 0.00 175.26 176.63 1x4m s ILE 19 N -0.19 1.00 -0.25 -1.63 -0.00 -0.32 -4.94 121.20 114.87 1x4m s ILE 19 Ca -0.02 -2.02 -0.16 0.00 -0.00 0.00 0.00 60.65 58.45 1x4m s ILE 19 Cb -0.14 -1.84 -0.04 0.00 -0.00 0.00 0.00 42.46 40.45 1x4m s ILE 19 CO 0.03 -0.75 0.41 0.00 -0.00 0.00 0.00 174.94 174.64 1x4m s MET 20 N -3.79 4.08 -0.14 0.37 0.23 -1.26 0.12 119.30 118.91 1x4m s MET 20 Ca 0.16 0.16 0.01 0.00 -1.03 0.00 0.00 55.69 54.98 1x4m s MET 20 Cb 0.04 -3.62 0.02 0.00 -1.53 0.00 0.00 34.83 29.74 1x4m s MET 20 CO -0.01 -0.22 -0.14 0.42 -2.03 0.00 0.00 175.02 173.04 1x4m s ILE 21 N 1.89 1.52 -0.25 3.16 -1.09 0.19 -4.93 121.20 121.70 1x4m s ILE 21 Ca 0.18 -0.61 -0.29 0.00 -2.23 0.00 0.00 60.65 57.69 1x4m s ILE 21 Cb -0.15 -1.43 -0.02 0.00 -1.58 0.00 0.00 42.46 39.28 1x4m s ILE 21 CO 0.09 0.45 1.63 -2.16 -1.23 0.00 0.00 174.94 173.72 1x4m s PRO 22 N 1.38 3.70 0.37 2.79 0.04 -1.26 0.96 135.00 142.98 1x4m s PRO 22 Ca 0.02 1.57 0.30 0.00 0.04 0.00 0.00 61.00 62.94 1x4m s PRO 22 Cb -0.13 -4.06 1.20 0.00 0.04 0.00 0.00 34.50 31.55 1x4m s PRO 22 CO -0.08 -1.41 1.18 0.00 0.04 0.00 0.00 177.00 176.73 1x4m n ALA 23 N 8.78 1.20 0.01 8.56 0.00 -1.23 0.18 120.51 138.01 1x4m n ALA 23 Ca 0.19 0.59 -0.11 0.00 0.00 0.00 0.00 53.44 54.11 1x4m n ALA 23 Cb 0.46 -0.83 -0.06 0.00 0.00 0.00 0.00 19.45 19.02 1x4m n ALA 23 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1x4m h SER 24 N 0.00 0.08 0.60 0.00 0.87 -1.89 -2.14 113.55 111.07 1x4m h SER 24 Ca 0.68 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.24 1x4m h SER 24 Cb 2.44 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 64.38 1x4m h SER 24 CO -0.21 0.06 -0.13 0.29 -0.53 0.00 0.00 176.83 176.30 1x4m n LYS 25 N -5.04 0.33 0.18 2.24 4.76 0.47 -3.96 118.16 117.14 1x4m n LYS 25 Ca -0.06 -0.09 -0.14 0.00 -2.87 0.00 0.00 58.31 55.15 1x4m n LYS 25 Cb 0.03 -1.50 -0.08 0.00 -1.84 0.00 0.00 35.03 31.64 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 3.30 -0.43 0.00 7.82 0.00 -0.42 -2.32 119.26 127.21 1x4m h ALA 26 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1x4m h ALA 26 Cb 0.41 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1x4m h ALA 26 CO 0.00 -0.67 0.35 0.78 0.00 0.00 0.00 179.25 179.71 1x4m h GLY 27 N -0.59 0.00 0.00 0.00 0.00 -1.67 0.16 103.07 100.96 1x4m h GLY 27 Ca -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.19 1x4m h GLY 27 CO 0.07 0.00 -0.72 1.41 0.00 0.00 0.00 176.54 177.31 1x4m h LEU 28 N 0.00 0.00 -0.55 3.11 4.07 -1.66 -2.45 115.31 117.83 1x4m h LEU 28 Ca 0.00 -0.34 -0.06 0.00 0.08 0.00 0.00 57.88 57.56 1x4m h LEU 28 Cb 0.69 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.41 1x4m h LEU 28 CO 0.00 1.08 0.12 1.62 -1.08 0.00 0.00 178.44 180.18 1x4m h VAL 29 N -1.00 1.25 0.09 1.22 3.04 -0.90 -3.26 116.25 116.69 1x4m h VAL 29 Ca -0.15 -0.90 -0.00 0.00 -1.01 0.00 0.00 66.70 64.64 1x4m h VAL 29 Cb 0.86 0.77 0.00 0.00 -2.01 0.00 0.00 31.29 30.91 1x4m h VAL 29 CO -0.09 0.33 -0.04 0.40 -1.01 0.00 0.00 177.57 177.15 1x4m h ILE 30 N 0.79 1.07 0.00 3.17 2.04 -0.94 0.10 117.51 123.74 1x4m h ILE 30 Ca 0.17 -1.38 0.00 0.00 1.00 0.00 0.00 64.86 64.65 1x4m h ILE 30 Cb 0.36 1.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.29 1x4m h ILE 30 CO 0.00 0.30 0.00 0.61 0.00 0.00 0.00 178.15 179.06 1x4m n GLY 31 N 0.85 -1.81 2.81 5.37 0.00 -0.92 -1.85 105.19 109.64 1x4m n GLY 31 Ca -0.08 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.69 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 4.14 0.00 1.61 4.01 -1.26 -4.28 118.16 122.38 1x4m n LYS 32 Ca 0.00 -3.85 0.00 0.00 -0.51 0.00 0.00 58.31 53.95 1x4m n LYS 32 Cb 0.00 -2.74 0.00 0.00 -0.51 0.00 0.00 35.03 31.78 1x4m n LYS 32 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1x4m n GLY 33 N 2.03 1.25 3.09 0.72 0.00 -1.26 -4.65 105.19 106.37 1x4m n GLY 33 Ca 0.41 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.19 -0.42 0.11 -0.02 0.00 -1.17 -4.95 105.19 98.56 1x4m n GLY 34 Ca 0.00 0.14 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.55 0.68 -0.09 1.61 1.02 -0.77 -3.80 120.64 115.74 1x4m n GLU 35 Ca -0.20 0.21 -0.14 0.00 -0.02 0.00 0.00 57.16 57.01 1x4m n GLU 35 Cb 0.64 -1.68 -0.06 0.00 -0.02 0.00 0.00 31.44 30.32 1x4m n GLU 35 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1x4m n THR 36 N -3.16 1.48 -0.33 2.62 -1.04 -1.09 -4.12 114.28 108.65 1x4m n THR 36 Ca -0.29 0.06 0.08 0.00 -2.04 0.00 0.00 64.05 61.87 1x4m n THR 36 Cb 1.06 -2.21 0.25 0.00 -1.82 0.00 0.00 70.33 67.61 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 0.78 -0.73 12.58 2.10 -0.81 0.95 117.51 131.38 1x4m h ILE 37 Ca -0.19 -0.26 0.13 0.00 1.08 0.00 0.00 64.86 65.62 1x4m h ILE 37 Cb 0.95 -0.04 -0.05 0.00 -1.09 0.00 0.00 36.82 36.59 1x4m h ILE 37 CO -0.12 0.14 0.49 0.50 -1.08 0.00 0.00 178.15 178.08 1x4m h LYS 38 N 0.76 0.46 0.00 2.19 3.64 -1.76 0.69 116.57 122.55 1x4m h LYS 38 Ca 0.50 -0.03 -0.15 0.00 -1.27 0.00 0.00 60.65 59.69 1x4m h LYS 38 Cb 0.66 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 1x4m h LYS 38 CO -0.34 0.31 -0.73 1.96 -2.27 0.00 0.00 179.45 178.38 1x4m h GLN 39 N 0.48 0.00 0.00 1.90 1.08 -0.98 -3.13 115.11 114.45 1x4m h GLN 39 Ca 0.35 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.53 1x4m h GLN 39 Cb 0.71 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.14 1x4m h GLN 39 CO -0.12 0.73 -0.11 -0.07 -0.95 0.00 0.00 178.83 178.32 1x4m h LEU 40 N 0.00 0.00 -1.09 1.46 3.38 -0.31 -1.86 115.31 116.90 1x4m h LEU 40 Ca -0.01 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1x4m h LEU 40 Cb 1.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.17 1x4m h LEU 40 CO 0.10 0.11 -0.43 1.56 0.09 0.00 0.00 178.44 179.86 1x4m h GLN 41 N 0.00 0.00 0.11 1.13 4.20 -1.44 -2.99 115.11 116.13 1x4m h GLN 41 Ca -0.00 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.41 1x4m h GLN 41 Cb 0.35 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1x4m h GLN 41 CO 0.01 0.43 -1.56 0.93 -0.67 0.00 0.00 178.83 177.98 1x4m h GLU 42 N 0.00 0.24 -0.96 1.46 4.39 -1.51 0.44 114.58 118.64 1x4m h GLU 42 Ca -0.00 -0.41 0.21 0.00 0.34 0.00 0.00 59.36 59.49 1x4m h GLU 42 Cb 0.82 0.15 -0.08 0.00 -0.10 0.00 0.00 28.75 29.54 1x4m h GLU 42 CO 0.06 1.20 0.62 0.00 -1.16 0.00 0.00 179.01 179.72 1x4m h ARG 43 N -0.25 0.52 0.00 2.33 3.08 -1.39 -2.79 114.38 115.89 1x4m h ARG 43 Ca -0.34 -0.03 -0.26 0.00 0.07 0.00 0.00 59.98 59.42 1x4m h ARG 43 Cb 1.81 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 31.70 1x4m h ARG 43 CO 0.05 0.35 -1.96 0.00 -1.07 0.00 0.00 179.97 177.33 1x4m n ALA 44 N -2.45 1.65 -0.76 0.04 0.00 -1.13 -5.04 120.51 112.82 1x4m n ALA 44 Ca 0.21 -0.88 0.00 0.00 0.00 0.00 0.00 53.44 52.77 1x4m n ALA 44 Cb 0.67 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.11 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 2.26 1.15 3.13 0.00 0.00 0.12 -4.96 105.19 106.89 1x4m n GLY 45 Ca -0.25 -0.25 -0.09 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.21 0.50 -0.17 1.61 -7.23 0.78 -4.81 120.40 108.85 1x4m s VAL 46 Ca 0.00 -1.80 -0.20 0.00 -1.81 0.00 0.00 61.98 58.16 1x4m s VAL 46 Cb 0.00 -1.51 -0.03 0.00 0.56 0.00 0.00 36.38 35.40 1x4m s VAL 46 CO 0.00 -0.87 0.60 -0.75 -0.31 0.00 0.00 175.10 173.77 1x4m s LYS 47 N -3.64 4.25 -0.34 4.82 2.20 0.11 -4.08 119.74 123.07 1x4m s LYS 47 Ca 0.08 0.60 -0.09 0.00 -0.36 0.00 0.00 55.97 56.20 1x4m s LYS 47 Cb 0.05 -3.54 0.02 0.00 -1.51 0.00 0.00 37.83 32.85 1x4m s LYS 47 CO -0.06 -0.14 0.14 -1.64 -0.36 0.00 0.00 175.35 173.29 1x4m s MET 48 N 1.57 2.91 -0.20 4.03 -1.94 -1.26 -0.55 119.30 123.86 1x4m s MET 48 Ca 0.29 -1.00 0.01 0.00 -1.71 0.00 0.00 55.69 53.28 1x4m s MET 48 Cb -0.16 -3.54 0.04 0.00 2.01 0.00 0.00 34.83 33.18 1x4m s MET 48 CO 0.11 -0.58 -0.10 0.08 -0.01 0.00 0.00 175.02 174.52 1x4m s VAL 49 N 1.51 1.66 0.18 -6.03 1.01 0.08 -4.98 120.40 113.82 1x4m s VAL 49 Ca 0.02 -1.04 -0.30 0.00 0.00 0.00 0.00 61.98 60.66 1x4m s VAL 49 Cb -0.18 -1.74 -0.08 0.00 0.00 0.00 0.00 36.38 34.38 1x4m s VAL 49 CO 0.05 0.15 1.08 -0.04 0.00 0.00 0.00 175.10 176.34 1x4m s MET 50 N 1.38 4.61 -0.23 2.72 -1.94 -1.26 -0.20 119.30 124.39 1x4m s MET 50 Ca -0.02 1.69 -0.06 0.00 -1.71 0.00 0.00 55.69 55.60 1x4m s MET 50 Cb -0.16 -3.28 -0.02 0.00 2.01 0.00 0.00 34.83 33.37 1x4m s MET 50 CO -0.08 0.10 0.03 0.42 -0.01 0.00 0.00 175.02 175.48 1x4m s ILE 51 N -0.28 4.05 -0.01 2.53 -1.09 0.26 -4.87 121.20 121.79 1x4m s ILE 51 Ca 0.49 -0.27 -0.03 0.00 -2.23 0.00 0.00 60.65 58.61 1x4m s ILE 51 Cb -0.29 -2.87 0.00 0.00 -1.58 0.00 0.00 42.46 37.73 1x4m s ILE 51 CO 0.35 0.39 0.07 0.00 -1.23 0.00 0.00 174.94 174.51 1x4m s GLN 52 N 1.35 0.24 -0.30 2.79 1.03 -1.26 -3.30 119.66 120.21 1x4m s GLN 52 Ca 0.05 -0.17 -0.13 0.00 0.04 0.00 0.00 55.36 55.15 1x4m s GLN 52 Cb -0.15 0.10 0.13 0.00 0.03 0.00 0.00 33.01 33.13 1x4m s GLN 52 CO 0.02 -0.04 0.77 -0.51 -2.54 0.00 0.00 175.29 172.98 1x4m s ASP 53 N -0.63 -0.92 0.00 12.60 1.01 -1.26 -5.14 116.67 122.33 1x4m s ASP 53 Ca -0.07 1.30 0.00 0.00 0.71 0.00 0.00 52.55 54.49 1x4m s ASP 53 Cb -0.04 1.92 0.00 0.00 1.01 0.00 0.00 42.92 45.80 1x4m s ASP 53 CO 0.00 -0.19 0.00 0.61 0.21 0.00 0.00 175.17 175.81 1x4m n GLY 54 N 5.02 0.37 3.77 0.21 0.00 -1.26 -5.05 105.19 108.25 1x4m n GLY 54 Ca -0.13 -2.08 -0.39 0.00 0.00 0.00 0.00 46.02 43.42 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 -0.18 4.19 0.43 1.61 0.04 -1.26 -5.05 135.00 134.77 1x4m s PRO 55 Ca 0.00 1.95 0.00 0.00 0.04 0.00 0.00 61.00 62.99 1x4m s PRO 55 Cb 0.00 -2.84 0.00 0.00 0.04 0.00 0.00 34.50 31.70 1x4m s PRO 55 CO 0.00 -0.24 0.00 1.04 0.04 0.00 0.00 177.00 177.85 1x4m n GLN 56 N 0.39 0.97 -2.29 4.56 6.02 -1.26 -4.74 117.38 121.04 1x4m n GLN 56 Ca 0.03 -3.09 -0.16 0.00 -0.01 0.00 0.00 57.00 53.76 1x4m n GLN 56 Cb 0.45 0.82 -0.02 0.00 1.02 0.00 0.00 30.24 32.51 1x4m n GLN 56 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1x4m n ASN 57 N -1.26 -4.62 -4.14 1.08 2.85 -1.26 -4.94 115.26 102.97 1x4m n ASN 57 Ca -0.18 0.15 -0.11 0.00 -0.11 0.00 0.00 54.58 54.33 1x4m n ASN 57 Cb 0.54 -3.93 -0.10 0.00 1.24 0.00 0.00 39.78 37.53 1x4m n ASN 57 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1x4m s THR 58 N -2.72 0.65 -0.25 -0.44 -1.32 -1.26 -5.09 115.64 105.21 1x4m s THR 58 Ca 0.00 -1.66 -0.28 0.00 -1.21 0.00 0.00 61.69 58.54 1x4m s THR 58 Cb 0.00 -1.34 -0.05 0.00 -1.51 0.00 0.00 72.50 69.60 1x4m s THR 58 CO 0.00 -0.72 2.20 -0.83 -2.21 0.00 0.00 174.62 173.06 1x4m s GLY 59 N -2.58 0.46 0.22 6.08 0.00 -1.26 -4.87 107.32 105.36 1x4m s GLY 59 Ca 0.05 0.68 -0.19 0.00 0.00 0.00 0.00 44.72 45.25 1x4m s GLY 59 CO -0.03 3.79 0.94 0.00 0.00 0.00 0.00 173.10 177.80 1x4m n ALA 60 N 11.92 -2.40 -2.54 3.20 0.00 -1.26 -5.15 120.51 124.28 1x4m n ALA 60 Ca 0.30 -1.03 -0.22 0.00 0.00 0.00 0.00 53.44 52.49 1x4m n ALA 60 Cb 0.46 0.63 -0.05 0.00 0.00 0.00 0.00 19.45 20.48 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 -3.26 4.90 -0.19 0.00 -4.77 -1.26 -3.51 116.67 108.58 1x4m s ASP 61 Ca 0.21 -0.65 -0.03 0.00 -3.30 0.00 0.00 52.55 48.77 1x4m s ASP 61 Cb -0.03 -0.85 0.06 0.00 -1.09 0.00 0.00 42.92 41.01 1x4m s ASP 61 CO 0.06 -0.28 0.05 -0.54 0.70 0.00 0.00 175.17 175.16 1x4m s LYS 62 N -3.88 0.52 -0.21 2.11 -0.14 0.27 -4.80 119.74 113.60 1x4m s LYS 62 Ca 0.38 -0.36 -0.29 0.00 -1.36 0.00 0.00 55.97 54.33 1x4m s LYS 62 Cb -0.04 -2.04 -0.03 0.00 -1.68 0.00 0.00 37.83 34.05 1x4m s LYS 62 CO 0.24 -0.66 1.60 -1.25 -0.76 0.00 0.00 175.35 174.52 1x4m s PRO 63 N 1.92 3.82 -0.14 -1.68 0.04 -1.21 -0.63 135.00 137.12 1x4m s PRO 63 Ca 0.00 1.68 -0.16 0.00 0.04 0.00 0.00 61.00 62.55 1x4m s PRO 63 Cb -0.17 -4.02 -0.04 0.00 0.04 0.00 0.00 34.50 30.30 1x4m s PRO 63 CO -0.09 -1.26 0.40 -1.17 0.04 0.00 0.00 177.00 174.93 1x4m s LEU 64 N 5.09 4.26 -0.34 -3.56 2.96 0.12 -0.58 118.68 126.64 1x4m s LEU 64 Ca 0.71 0.69 -0.10 0.00 -0.22 0.00 0.00 54.13 55.20 1x4m s LEU 64 Cb -0.25 -2.56 0.01 0.00 0.50 0.00 0.00 46.19 43.88 1x4m s LEU 64 CO 0.29 0.04 0.17 -0.60 -1.32 0.00 0.00 176.35 174.92 1x4m s ARG 65 N 0.58 3.12 -0.43 1.98 3.52 0.73 -1.18 118.95 127.27 1x4m s ARG 65 Ca 0.22 -0.87 -0.11 0.00 -0.13 0.00 0.00 55.73 54.84 1x4m s ARG 65 Cb -0.14 -3.62 0.07 0.00 -1.56 0.00 0.00 34.95 29.70 1x4m s ARG 65 CO 0.08 -0.53 0.29 0.42 -0.81 0.00 0.00 175.30 174.75 1x4m s ILE 66 N 1.58 4.50 0.13 4.11 1.01 0.68 -0.74 121.20 132.48 1x4m s ILE 66 Ca 0.03 -1.28 -0.02 0.00 0.00 0.00 0.00 60.65 59.39 1x4m s ILE 66 Cb -0.18 -3.72 -0.05 0.00 0.01 0.00 0.00 42.46 38.53 1x4m s ILE 66 CO 0.06 -0.50 0.32 0.42 0.00 0.00 0.00 174.94 175.24 1x4m s THR 67 N 1.49 5.26 0.00 2.92 -4.23 0.29 -1.30 115.64 120.07 1x4m s THR 67 Ca 0.03 -0.25 0.00 0.00 -1.18 0.00 0.00 61.69 60.29 1x4m s THR 67 Cb -0.23 -3.66 0.00 0.00 1.34 0.00 0.00 72.50 69.95 1x4m s THR 67 CO 0.04 0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.74 1x4m n GLY 68 N -0.06 -0.91 3.28 3.99 0.00 0.67 0.08 105.19 112.24 1x4m n GLY 68 Ca -0.04 0.33 -0.16 0.00 0.00 0.00 0.00 46.02 46.15 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 2.01 0.28 1.61 1.01 -1.25 -2.10 116.67 114.23 1x4m s ASP 69 Ca 0.00 -1.03 0.07 0.00 0.71 0.00 0.00 52.55 52.29 1x4m s ASP 69 Cb 0.00 -0.04 0.42 0.00 1.01 0.00 0.00 42.92 44.30 1x4m s ASP 69 CO 0.00 -0.30 1.67 1.55 0.21 0.00 0.00 175.17 178.30 1x4m h PRO 70 N 2.69 0.21 0.00 8.23 0.13 -1.85 0.65 132.00 142.06 1x4m h PRO 70 Ca -0.37 -0.11 -0.06 0.00 -0.87 0.00 0.00 66.00 64.58 1x4m h PRO 70 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1x4m h PRO 70 CO 0.63 0.64 -0.90 -0.92 -0.23 0.00 0.00 178.00 177.22 1x4m h TYR 71 N 0.17 0.00 0.00 1.56 5.03 -1.93 -3.34 116.97 118.46 1x4m h TYR 71 Ca 0.01 0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.29 1x4m h TYR 71 Cb 0.89 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.17 1x4m h TYR 71 CO 0.01 0.24 -0.82 1.63 -1.32 0.00 0.00 178.16 177.90 1x4m n LYS 72 N -2.88 0.49 -0.57 1.82 5.02 -1.15 -3.98 118.16 116.92 1x4m n LYS 72 Ca -0.02 0.40 0.45 0.00 -2.02 0.00 0.00 58.31 57.12 1x4m n LYS 72 Cb 0.66 -1.59 0.73 0.00 -0.02 0.00 0.00 35.03 34.81 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 -4.53 -0.14 -0.05 -0.18 0.31 0.23 0.23 118.33 114.20 1x4m n VAL 73 Ca -0.13 1.63 -0.16 0.00 -0.01 0.00 0.00 64.34 65.67 1x4m n VAL 73 Cb 0.41 -2.69 -0.05 0.00 -0.91 0.00 0.00 33.84 30.60 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 0.83 -0.20 5.55 1.08 -1.74 -2.09 115.11 118.54 1x4m h GLN 74 Ca 0.89 -0.59 -0.19 0.00 -1.45 0.00 0.00 58.65 57.31 1x4m h GLN 74 Cb 3.19 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 30.71 1x4m h GLN 74 CO -0.26 1.21 -0.63 1.96 -0.95 0.00 0.00 178.83 180.16 1x4m h GLN 75 N 0.61 0.71 0.00 1.46 1.08 0.28 -2.93 115.11 116.32 1x4m h GLN 75 Ca -0.01 -0.50 0.00 0.00 -1.45 0.00 0.00 58.65 56.69 1x4m h GLN 75 Cb 1.26 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.77 1x4m h GLN 75 CO 0.14 1.12 0.00 0.00 -0.95 0.00 0.00 178.83 179.14 1x4m h ALA 76 N 0.76 1.00 0.11 3.87 0.00 -0.95 -3.09 119.26 120.96 1x4m h ALA 76 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1x4m h ALA 76 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1x4m h ALA 76 CO 0.13 0.00 -0.05 -0.22 0.00 0.00 0.00 179.25 179.11 1x4m h LYS 77 N 0.00 -0.14 -0.45 0.00 3.64 -1.19 -3.07 116.57 115.36 1x4m h LYS 77 Ca 0.00 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.42 1x4m h LYS 77 Cb 0.54 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 1x4m h LYS 77 CO 0.00 0.31 0.30 1.05 -2.27 0.00 0.00 179.45 178.84 1x4m h GLU 78 N -0.92 0.47 -0.64 1.90 4.11 -1.58 -0.17 114.58 117.75 1x4m h GLU 78 Ca -0.01 -0.03 -0.02 0.00 0.07 0.00 0.00 59.36 59.37 1x4m h GLU 78 Cb 0.52 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 1x4m h GLU 78 CO 0.02 0.31 0.32 0.52 0.07 0.00 0.00 179.01 180.26 1x4m h MET 79 N 0.48 0.91 -0.06 1.06 2.86 -1.61 -0.97 114.93 117.60 1x4m h MET 79 Ca 0.18 -0.12 -0.25 0.00 -2.06 0.00 0.00 59.70 57.45 1x4m h MET 79 Cb 0.14 -0.17 0.02 0.00 0.06 0.00 0.00 31.60 31.64 1x4m h MET 79 CO -0.05 0.71 -0.93 0.28 1.06 0.00 0.00 176.91 177.99 1x4m h VAL 80 N 0.88 1.28 -0.76 -2.22 2.07 -1.24 -3.00 116.25 113.26 1x4m h VAL 80 Ca 0.22 -2.13 0.01 0.00 0.82 0.00 0.00 66.70 65.63 1x4m h VAL 80 Cb 0.09 2.23 -0.04 0.00 -1.52 0.00 0.00 31.29 32.05 1x4m h VAL 80 CO -0.03 0.66 0.50 -0.07 0.02 0.00 0.00 177.57 178.65 1x4m h LEU 81 N 0.44 0.85 -1.52 2.57 3.38 -0.90 -1.26 115.31 118.87 1x4m h LEU 81 Ca -0.10 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1x4m h LEU 81 Cb 1.57 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 1x4m h LEU 81 CO 0.19 0.61 -0.17 -0.08 0.09 0.00 0.00 178.44 179.07 1x4m h GLU 82 N 1.00 0.00 -0.53 1.13 4.81 -1.22 -2.46 114.58 117.31 1x4m h GLU 82 Ca 0.29 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.43 1x4m h GLU 82 Cb -0.08 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1x4m h GLU 82 CO -0.08 0.17 -0.00 1.25 -0.73 0.00 0.00 179.01 179.62 1x4m h LEU 83 N 0.00 0.92 -0.12 1.64 7.12 -1.08 -2.88 115.31 120.90 1x4m h LEU 83 Ca -0.00 -0.31 -0.08 0.00 0.13 0.00 0.00 57.88 57.62 1x4m h LEU 83 Cb 0.54 -0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 40.42 1x4m h LEU 83 CO 0.02 1.00 -0.38 0.16 -0.13 0.00 0.00 178.44 179.12 1x4m h ILE 84 N 0.81 0.67 -1.87 4.05 3.07 -1.32 -3.43 117.51 119.47 1x4m h ILE 84 Ca 0.15 -1.87 -0.48 0.00 1.55 0.00 0.00 64.86 64.21 1x4m h ILE 84 Cb 0.53 2.27 -0.03 0.00 -0.27 0.00 0.00 36.82 39.32 1x4m h ILE 84 CO 0.03 0.37 1.34 -0.13 -1.05 0.00 0.00 178.15 178.70 1x4m s ARG 85 N -3.08 2.57 0.19 0.16 0.52 -0.95 -4.85 118.95 113.52 1x4m s ARG 85 Ca 0.04 0.62 -0.13 0.00 -0.52 0.00 0.00 55.73 55.73 1x4m s ARG 85 Cb 0.07 -4.44 0.22 0.00 0.52 0.00 0.00 34.95 31.32 1x4m s ARG 85 CO 0.72 -2.82 1.28 -0.40 0.02 0.00 0.00 175.30 174.10 1x4m n ASP 86 N 13.10 -0.51 -0.24 0.23 5.75 -1.26 0.30 116.55 133.93 1x4m n ASP 86 Ca 0.23 1.43 -0.06 0.00 -0.01 0.00 0.00 54.79 56.39 1x4m n ASP 86 Cb 0.52 -0.34 -0.01 0.00 -1.03 0.00 0.00 41.12 40.26 1x4m n ASP 86 CO 0.00 0.00 0.00 -0.61 -0.11 0.00 0.00 177.20 176.48 1x4m h GLN 87 N 0.00 -0.15 0.00 0.11 5.75 -1.91 -3.26 115.11 115.65 1x4m h GLN 87 Ca 0.30 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.81 1x4m h GLN 87 Cb 0.51 0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.09 1x4m h GLN 87 CO -0.82 -0.10 0.00 0.41 -2.65 0.00 0.00 178.83 175.67 1x4m n GLY 88 N -1.43 -0.69 3.09 2.39 0.00 0.15 -4.84 105.19 103.86 1x4m n GLY 88 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 1x4m n GLY 88 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4m s SER 89 N -2.71 1.39 0.00 1.61 1.04 -1.23 -5.12 113.70 108.69 1x4m s SER 89 Ca 0.00 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.12 1x4m s SER 89 Cb 0.00 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.00 1x4m s SER 89 CO 0.00 0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.91 1x4m n GLY 90 N 2.41 7.42 3.55 7.32 0.00 -1.26 -4.67 105.19 119.95 1x4m n GLY 90 Ca -0.16 -1.95 -0.38 0.00 0.00 0.00 0.00 46.02 43.54 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 0.93 2.62 0.11 1.61 0.04 -1.26 -4.97 135.00 134.08 1x4m s PRO 91 Ca 0.00 0.56 0.10 0.00 0.04 0.00 0.00 61.00 61.69 1x4m s PRO 91 Cb 0.00 -4.43 -0.04 0.00 0.04 0.00 0.00 34.50 30.07 1x4m s PRO 91 CO 0.00 -2.78 -0.22 -1.54 0.04 0.00 0.00 177.00 172.51 1x4m s SER 92 N 8.12 3.63 0.44 6.66 1.04 -1.26 -5.14 113.70 127.18 1x4m s SER 92 Ca 0.67 -0.62 0.08 0.00 0.48 0.00 0.00 55.95 56.56 1x4m s SER 92 Cb -0.12 -0.42 0.01 0.00 0.10 0.00 0.00 66.02 65.59 1x4m s SER 92 CO 0.19 0.19 0.53 -0.55 0.98 0.00 0.00 173.24 174.58 1x4m s SER 93 N -2.02 5.41 0.00 7.02 0.15 -1.26 -5.31 113.70 117.70 1x4m s SER 93 Ca 0.16 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 56.24 1x4m s SER 93 Cb -0.10 -0.52 0.00 0.00 -1.71 0.00 0.00 66.02 63.68 1x4m s SER 93 CO 0.08 -0.79 0.00 0.61 1.20 0.00 0.00 173.24 174.34