#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 -0.64 0.24 1.61 0.01 -1.26 -5.18 113.70 108.49 1x4m s SER 2 Ca 0.00 0.94 0.07 0.00 1.31 0.00 0.00 55.95 58.28 1x4m s SER 2 Cb 0.00 0.88 -0.04 0.00 0.21 0.00 0.00 66.02 67.08 1x4m s SER 2 CO 0.00 -0.43 0.17 -0.44 0.41 0.00 0.00 173.24 172.95 1x4m s SER 3 N -0.52 5.43 0.00 2.44 0.01 -1.26 -5.04 113.70 114.76 1x4m s SER 3 Ca -0.06 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 56.92 1x4m s SER 3 Cb -0.02 -1.35 0.00 0.00 0.21 0.00 0.00 66.02 64.85 1x4m s SER 3 CO 0.06 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.29 1x4m n GLY 4 N -1.07 -1.01 3.48 3.44 0.00 -1.26 -5.08 105.19 103.70 1x4m n GLY 4 Ca -0.08 -1.56 -0.23 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.48 2.70 -0.16 1.61 0.15 -1.26 -5.14 113.70 109.13 1x4m s SER 5 Ca 0.00 -1.35 -0.14 0.00 0.70 0.00 0.00 55.95 55.16 1x4m s SER 5 Cb 0.00 -0.15 -0.05 0.00 -1.71 0.00 0.00 66.02 64.11 1x4m s SER 5 CO 0.00 -0.55 0.30 -0.94 1.20 0.00 0.00 173.24 173.26 1x4m s SER 6 N -3.52 6.44 0.00 5.45 1.04 -1.26 -4.92 113.70 116.92 1x4m s SER 6 Ca 0.35 0.52 0.00 0.00 0.48 0.00 0.00 55.95 57.30 1x4m s SER 6 Cb 0.08 -2.19 0.00 0.00 0.10 0.00 0.00 66.02 64.02 1x4m s SER 6 CO 0.16 0.09 0.00 0.61 0.98 0.00 0.00 173.24 175.07 1x4m n GLY 7 N 3.42 -1.76 3.88 7.32 0.00 -1.26 -5.17 105.19 111.62 1x4m n GLY 7 Ca -0.11 0.70 -0.29 0.00 0.00 0.00 0.00 46.02 46.32 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 0.00 3.57 0.00 1.61 0.09 -1.26 -4.96 115.29 114.35 1x4m s HIS 8 Ca 0.00 1.07 0.00 0.00 -0.00 0.00 0.00 55.06 56.13 1x4m s HIS 8 Cb 0.00 -2.52 0.00 0.00 -0.00 0.00 0.00 32.58 30.06 1x4m s HIS 8 CO 0.00 -0.43 0.00 0.41 -0.00 0.00 0.00 174.74 174.72 1x4m n GLY 9 N -2.31 0.08 0.07 -2.22 0.00 -1.26 -4.92 105.19 94.64 1x4m n GLY 9 Ca 0.03 -1.59 -0.13 0.00 0.00 0.00 0.00 46.02 44.33 1x4m n GLY 9 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1x4m h ASP 10 N 0.00 0.00 -0.60 1.61 3.32 -2.02 -3.51 116.42 115.23 1x4m h ASP 10 Ca 0.00 -0.67 0.00 0.00 0.02 0.00 0.00 57.03 56.38 1x4m h ASP 10 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1x4m h ASP 10 CO 0.00 1.02 0.00 0.61 -1.72 0.00 0.00 179.24 179.15 1x4m n GLY 11 N 1.60 0.60 0.21 2.75 0.00 -1.26 -4.78 105.19 104.31 1x4m n GLY 11 Ca -0.13 -2.21 -0.05 0.00 0.00 0.00 0.00 46.02 43.62 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 1.09 0.40 0.00 1.61 0.13 -2.04 -3.49 132.00 129.70 1x4m h PRO 12 Ca 0.00 -0.21 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1x4m h PRO 12 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1x4m h PRO 12 CO 0.00 0.78 0.00 0.41 -0.23 0.00 0.00 178.00 178.96 1x4m n GLY 13 N -0.01 -0.33 3.06 1.56 0.00 -1.26 -5.12 105.19 103.08 1x4m n GLY 13 Ca -0.02 -0.97 -0.46 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.73 -4.80 1.61 3.02 -1.26 -4.89 115.26 108.21 1x4m n ASN 14 Ca 0.00 1.02 -0.39 0.00 -0.03 0.00 0.00 54.58 55.18 1x4m n ASN 14 Cb 0.00 -0.84 -0.06 0.00 -0.61 0.00 0.00 39.78 38.27 1x4m n ASN 14 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x4m s ALA 15 N -0.58 3.54 -0.03 5.41 0.00 -1.06 -4.86 121.76 124.18 1x4m s ALA 15 Ca 0.65 0.12 0.01 0.00 0.00 0.00 0.00 51.96 52.75 1x4m s ALA 15 Cb -0.93 -2.73 0.02 0.00 0.00 0.00 0.00 23.12 19.47 1x4m s ALA 15 CO 0.50 0.35 -0.04 0.54 0.00 0.00 0.00 175.76 177.11 1x4m s VAL 16 N -1.03 0.47 -0.09 0.00 0.11 -1.26 -0.34 120.40 118.26 1x4m s VAL 16 Ca 0.31 -0.13 0.01 0.00 -2.93 0.00 0.00 61.98 59.25 1x4m s VAL 16 Cb -0.20 -0.49 0.02 0.00 -1.53 0.00 0.00 36.38 34.18 1x4m s VAL 16 CO 0.21 0.19 -0.12 -1.10 -3.33 0.00 0.00 175.10 170.96 1x4m s GLN 17 N 0.68 1.79 -0.19 1.54 -1.52 -0.16 -4.94 119.66 116.86 1x4m s GLN 17 Ca -0.09 -0.41 -0.07 0.00 -1.95 0.00 0.00 55.36 52.85 1x4m s GLN 17 Cb -0.12 -1.59 -0.04 0.00 -0.22 0.00 0.00 33.01 31.04 1x4m s GLN 17 CO -0.00 -0.09 0.06 -1.21 -0.25 0.00 0.00 175.29 173.80 1x4m s GLU 18 N 1.07 3.94 0.11 2.91 2.02 -1.26 -0.85 118.70 126.63 1x4m s GLU 18 Ca -0.06 -0.36 0.06 0.00 0.02 0.00 0.00 54.97 54.62 1x4m s GLU 18 Cb -0.15 -3.21 -0.04 0.00 0.10 0.00 0.00 34.13 30.83 1x4m s GLU 18 CO -0.01 0.23 -0.14 0.96 0.02 0.00 0.00 175.26 176.31 1x4m s ILE 19 N 0.49 1.26 -0.21 -1.63 -0.00 -0.41 -4.93 121.20 115.77 1x4m s ILE 19 Ca 0.03 -1.59 -0.24 0.00 -0.00 0.00 0.00 60.65 58.84 1x4m s ILE 19 Cb -0.13 -1.40 -0.01 0.00 -0.00 0.00 0.00 42.46 40.92 1x4m s ILE 19 CO 0.01 -0.36 0.81 -0.04 -0.00 0.00 0.00 174.94 175.36 1x4m s MET 20 N -2.39 4.23 -0.15 0.37 -1.94 -1.26 -0.04 119.30 118.10 1x4m s MET 20 Ca 0.06 0.93 0.02 0.00 -1.71 0.00 0.00 55.69 54.98 1x4m s MET 20 Cb -0.06 -3.61 0.02 0.00 2.01 0.00 0.00 34.83 33.18 1x4m s MET 20 CO 0.03 -0.42 -0.19 0.42 -0.01 0.00 0.00 175.02 174.84 1x4m s ILE 21 N 2.49 1.90 -0.10 2.53 -1.09 -0.14 -4.92 121.20 121.88 1x4m s ILE 21 Ca 0.35 -0.86 -0.29 0.00 -2.23 0.00 0.00 60.65 57.61 1x4m s ILE 21 Cb -0.16 -1.71 -0.04 0.00 -1.58 0.00 0.00 42.46 38.97 1x4m s ILE 21 CO 0.09 0.52 1.52 -2.16 -1.23 0.00 0.00 174.94 173.69 1x4m s PRO 22 N 1.09 4.18 0.36 2.79 0.04 -1.26 0.47 135.00 142.67 1x4m s PRO 22 Ca -0.01 1.99 0.21 0.00 0.04 0.00 0.00 61.00 63.23 1x4m s PRO 22 Cb -0.14 -3.92 1.28 0.00 0.04 0.00 0.00 34.50 31.76 1x4m s PRO 22 CO -0.07 -0.82 1.47 0.00 0.04 0.00 0.00 177.00 177.62 1x4m n ALA 23 N 7.03 1.01 -0.12 8.56 0.00 -1.26 0.11 120.51 135.84 1x4m n ALA 23 Ca 0.16 0.93 -0.05 0.00 0.00 0.00 0.00 53.44 54.48 1x4m n ALA 23 Cb 0.44 -0.96 0.03 0.00 0.00 0.00 0.00 19.45 18.96 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 -0.02 0.35 0.00 0.02 -1.89 -1.29 113.55 110.72 1x4m h SER 24 Ca 0.80 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.82 1x4m h SER 24 Cb 2.19 0.10 0.00 0.00 0.14 0.00 0.00 62.40 64.84 1x4m h SER 24 CO -0.67 0.03 -0.36 0.29 -1.14 0.00 0.00 176.83 174.98 1x4m n LYS 25 N -5.11 0.48 -0.04 3.45 4.76 0.30 -3.98 118.16 118.02 1x4m n LYS 25 Ca 0.03 -0.28 -0.03 0.00 -2.87 0.00 0.00 58.31 55.16 1x4m n LYS 25 Cb 0.19 -1.49 0.22 0.00 -1.84 0.00 0.00 35.03 32.10 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 3.39 1.20 0.00 7.82 0.00 0.10 -2.02 119.26 129.76 1x4m h ALA 26 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1x4m h ALA 26 Cb 0.50 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1x4m h ALA 26 CO 0.00 0.52 0.00 0.41 0.00 0.00 0.00 179.25 180.18 1x4m n GLY 27 N -0.67 -1.16 0.10 0.00 0.00 -1.16 -1.89 105.19 100.40 1x4m n GLY 27 Ca 0.01 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.19 1.00 -0.04 0.99 4.32 -0.77 -2.73 117.00 118.58 1x4m n LEU 28 Ca 0.17 0.24 -0.08 0.00 -0.02 0.00 0.00 56.01 56.32 1x4m n LEU 28 Cb 0.19 0.02 -0.14 0.00 -1.62 0.00 0.00 43.42 41.87 1x4m n LEU 28 CO 0.21 0.52 -0.66 0.55 -1.22 0.00 0.00 177.39 176.79 1x4m n VAL 29 N -3.04 1.52 0.03 4.08 3.14 -1.12 -4.38 118.33 118.56 1x4m n VAL 29 Ca -0.25 -0.80 -0.22 0.00 -2.96 0.00 0.00 64.34 60.11 1x4m n VAL 29 Cb 1.08 -0.88 -0.14 0.00 -1.06 0.00 0.00 33.84 32.84 1x4m n VAL 29 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 1x4m h ILE 30 N 0.00 0.99 -0.15 1.55 2.04 -1.57 0.12 117.51 120.49 1x4m h ILE 30 Ca -0.34 -2.44 0.00 0.00 1.00 0.00 0.00 64.86 63.09 1x4m h ILE 30 Cb 2.03 2.73 0.00 0.00 -0.74 0.00 0.00 36.82 40.84 1x4m h ILE 30 CO 0.06 0.76 0.00 0.61 0.00 0.00 0.00 178.15 179.59 1x4m n GLY 31 N 1.79 -1.21 3.42 5.37 0.00 -1.10 -1.93 105.19 111.53 1x4m n GLY 31 Ca -0.25 -1.25 -0.44 0.00 0.00 0.00 0.00 46.02 44.08 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 3.09 0.00 1.61 1.02 -1.26 -4.10 119.74 120.10 1x4m s LYS 32 Ca 0.00 -1.01 0.00 0.00 0.02 0.00 0.00 55.97 54.98 1x4m s LYS 32 Cb 0.00 -4.23 0.00 0.00 -0.52 0.00 0.00 37.83 33.08 1x4m s LYS 32 CO 0.00 -1.66 0.00 0.41 -0.92 0.00 0.00 175.35 173.18 1x4m n GLY 33 N 5.29 0.93 3.99 -3.33 0.00 -1.26 -4.13 105.19 106.68 1x4m n GLY 33 Ca -0.06 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.48 -0.50 0.12 -0.02 0.00 -1.20 -4.89 105.19 98.21 1x4m n GLY 34 Ca 0.00 0.26 -0.23 0.00 0.00 0.00 0.00 46.02 46.05 1x4m n GLY 34 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1x4m n GLU 35 N -4.54 0.61 0.31 1.61 -0.00 -0.81 -3.87 120.64 113.95 1x4m n GLU 35 Ca -0.22 0.41 -0.14 0.00 -0.00 0.00 0.00 57.16 57.21 1x4m n GLU 35 Cb 0.64 -1.66 -0.07 0.00 -0.00 0.00 0.00 31.44 30.35 1x4m n GLU 35 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 1x4m h THR 36 N -0.73 0.11 -0.62 3.84 2.02 -1.75 -3.00 112.91 112.78 1x4m h THR 36 Ca -0.47 -0.38 0.18 0.00 0.77 0.00 0.00 66.41 66.51 1x4m h THR 36 Cb 1.56 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 1x4m h THR 36 CO -0.20 0.02 0.58 -0.29 0.37 0.00 0.00 175.52 176.00 1x4m h ILE 37 N -1.17 0.38 -0.33 3.11 2.10 -1.05 0.38 117.51 120.92 1x4m h ILE 37 Ca -0.08 0.00 -0.06 0.00 1.08 0.00 0.00 64.86 65.79 1x4m h ILE 37 Cb 0.66 0.55 -0.02 0.00 -1.09 0.00 0.00 36.82 36.93 1x4m h ILE 37 CO 0.14 0.00 -0.06 0.50 -1.08 0.00 0.00 178.15 177.65 1x4m h LYS 38 N 0.00 0.54 0.00 2.19 3.64 -1.64 -2.29 116.57 119.02 1x4m h LYS 38 Ca 0.29 -0.14 -0.05 0.00 -1.27 0.00 0.00 60.65 59.48 1x4m h LYS 38 Cb 1.46 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.20 1x4m h LYS 38 CO -0.00 0.61 -0.27 1.96 -2.27 0.00 0.00 179.45 179.48 1x4m h GLN 39 N 0.51 0.00 0.00 1.90 1.08 -0.24 -3.18 115.11 115.17 1x4m h GLN 39 Ca 0.10 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.26 1x4m h GLN 39 Cb 0.42 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.84 1x4m h GLN 39 CO 0.02 0.25 -0.18 -0.07 -0.95 0.00 0.00 178.83 177.90 1x4m h LEU 40 N 0.00 0.00 -0.95 1.46 3.38 -1.11 -2.71 115.31 115.38 1x4m h LEU 40 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1x4m h LEU 40 Cb 1.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1x4m h LEU 40 CO 0.03 0.18 -0.32 1.56 0.09 0.00 0.00 178.44 179.98 1x4m h GLN 41 N 0.00 0.36 0.21 1.13 4.20 -1.48 -3.08 115.11 116.46 1x4m h GLN 41 Ca -0.00 -0.15 -0.35 0.00 0.06 0.00 0.00 58.65 58.21 1x4m h GLN 41 Cb 0.84 -0.01 0.02 0.00 0.30 0.00 0.00 27.48 28.62 1x4m h GLN 41 CO 0.02 0.65 -1.65 0.93 -0.67 0.00 0.00 178.83 178.11 1x4m h GLU 42 N 0.32 0.45 -0.98 1.46 4.39 -1.69 0.83 114.58 119.35 1x4m h GLU 42 Ca 0.04 -0.76 0.24 0.00 0.34 0.00 0.00 59.36 59.22 1x4m h GLU 42 Cb 0.73 0.28 -0.07 0.00 -0.10 0.00 0.00 28.75 29.59 1x4m h GLU 42 CO 0.06 1.36 0.65 0.00 -1.16 0.00 0.00 179.01 179.92 1x4m h ARG 43 N 0.12 0.34 0.00 2.33 3.08 -1.45 -2.80 114.38 116.00 1x4m h ARG 43 Ca -0.31 -0.02 -0.15 0.00 0.07 0.00 0.00 59.98 59.57 1x4m h ARG 43 Cb 2.13 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 32.07 1x4m h ARG 43 CO 0.21 0.22 -1.56 0.00 -1.07 0.00 0.00 179.97 177.78 1x4m n ALA 44 N -2.53 1.80 -0.73 0.04 0.00 -1.17 -5.05 120.51 112.87 1x4m n ALA 44 Ca 0.22 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1x4m n ALA 44 Cb 0.83 0.09 0.00 0.00 0.00 0.00 0.00 19.45 20.38 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 2.55 0.82 3.13 0.00 0.00 0.24 -4.90 105.19 107.02 1x4m n GLY 45 Ca -0.14 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.08 0.15 -0.29 1.61 -7.23 0.14 -4.68 120.40 108.01 1x4m s VAL 46 Ca 0.00 -1.20 -0.20 0.00 -1.81 0.00 0.00 61.98 58.78 1x4m s VAL 46 Cb 0.00 -1.06 -0.02 0.00 0.56 0.00 0.00 36.38 35.86 1x4m s VAL 46 CO 0.00 -0.66 0.59 -0.75 -0.31 0.00 0.00 175.10 173.97 1x4m s LYS 47 N -3.02 3.96 -0.35 4.82 2.20 0.76 -4.16 119.74 123.95 1x4m s LYS 47 Ca -0.01 0.32 -0.14 0.00 -0.36 0.00 0.00 55.97 55.77 1x4m s LYS 47 Cb 0.01 -3.70 -0.01 0.00 -1.51 0.00 0.00 37.83 32.62 1x4m s LYS 47 CO -0.06 -0.49 0.30 -1.64 -0.36 0.00 0.00 175.35 173.09 1x4m s MET 48 N 2.50 3.43 -0.15 4.03 -1.94 -1.26 -1.26 119.30 124.66 1x4m s MET 48 Ca 0.24 -0.63 0.00 0.00 -1.71 0.00 0.00 55.69 53.60 1x4m s MET 48 Cb -0.15 -3.84 0.02 0.00 2.01 0.00 0.00 34.83 32.88 1x4m s MET 48 CO 0.11 -0.53 -0.13 0.08 -0.01 0.00 0.00 175.02 174.54 1x4m s VAL 49 N 1.83 1.49 -0.16 -6.03 1.01 0.42 -4.99 120.40 113.97 1x4m s VAL 49 Ca 0.08 -0.60 -0.28 0.00 0.00 0.00 0.00 61.98 61.18 1x4m s VAL 49 Cb -0.17 -1.42 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 1x4m s VAL 49 CO 0.11 0.43 0.96 -0.04 0.00 0.00 0.00 175.10 176.56 1x4m s MET 50 N 1.52 4.33 -0.01 2.72 -1.94 -1.26 -0.02 119.30 124.64 1x4m s MET 50 Ca 0.05 1.26 -0.18 0.00 -1.71 0.00 0.00 55.69 55.11 1x4m s MET 50 Cb -0.13 -3.58 -0.06 0.00 2.01 0.00 0.00 34.83 33.07 1x4m s MET 50 CO -0.10 -0.41 0.51 0.42 -0.01 0.00 0.00 175.02 175.43 1x4m s ILE 51 N 2.41 4.96 -0.05 2.53 -1.09 -0.02 -4.92 121.20 125.02 1x4m s ILE 51 Ca 0.44 1.07 0.01 0.00 -2.23 0.00 0.00 60.65 59.94 1x4m s ILE 51 Cb -0.17 -3.84 -0.04 0.00 -1.58 0.00 0.00 42.46 36.83 1x4m s ILE 51 CO 0.13 0.47 -0.04 1.67 -1.23 0.00 0.00 174.94 175.94 1x4m n GLN 52 N 2.45 0.46 -2.00 2.79 7.27 -1.26 -3.76 117.38 123.33 1x4m n GLN 52 Ca -0.10 0.03 -0.41 0.00 0.07 0.00 0.00 57.00 56.59 1x4m n GLN 52 Cb 0.51 -1.10 -0.02 0.00 2.41 0.00 0.00 30.24 32.04 1x4m n GLN 52 CO 0.00 0.00 0.00 0.16 0.07 0.00 0.00 177.06 177.29 1x4m s ASP 53 N -4.40 6.62 0.00 1.69 1.47 -1.26 -4.96 116.67 115.83 1x4m s ASP 53 Ca -0.07 2.78 0.00 0.00 1.18 0.00 0.00 52.55 56.44 1x4m s ASP 53 Cb 0.02 -2.64 0.00 0.00 -0.34 0.00 0.00 42.92 39.95 1x4m s ASP 53 CO 0.13 -0.68 0.00 0.61 0.68 0.00 0.00 175.17 175.90 1x4m n GLY 54 N 1.24 1.16 3.77 2.12 0.00 -1.26 -5.06 105.19 107.16 1x4m n GLY 54 Ca 0.03 -0.73 -0.34 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.19 3.15 0.12 1.61 0.04 -1.26 -4.92 135.00 133.55 1x4m s PRO 55 Ca 0.00 1.53 -0.21 0.00 0.04 0.00 0.00 61.00 62.36 1x4m s PRO 55 Cb 0.00 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.53 1x4m s PRO 55 CO 0.00 -0.99 1.12 1.04 0.04 0.00 0.00 177.00 178.21 1x4m n GLN 56 N -1.71 -0.30 -3.44 4.56 6.02 -1.26 -3.23 117.38 118.02 1x4m n GLN 56 Ca 0.11 1.10 -0.43 0.00 -0.01 0.00 0.00 57.00 57.77 1x4m n GLN 56 Cb 0.51 -1.62 -0.07 0.00 1.02 0.00 0.00 30.24 30.08 1x4m n GLN 56 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1x4m s ASN 57 N -5.35 5.97 -0.23 1.08 2.47 -1.26 -4.89 114.94 112.73 1x4m s ASN 57 Ca -0.09 -1.70 -0.03 0.00 0.42 0.00 0.00 52.86 51.46 1x4m s ASN 57 Cb 0.09 -2.12 -0.19 0.00 -1.45 0.00 0.00 41.25 37.58 1x4m s ASN 57 CO 0.46 -0.73 -0.08 0.35 -3.72 0.00 0.00 177.10 173.38 1x4m n THR 58 N 5.10 1.57 0.00 -5.21 -2.24 -1.20 -5.12 114.28 107.18 1x4m n THR 58 Ca -0.11 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 1x4m n THR 58 Cb 0.41 -1.59 0.00 0.00 -2.10 0.00 0.00 70.33 67.05 1x4m n THR 58 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x4m n GLY 59 N 2.02 0.31 1.52 3.38 0.00 -1.26 -4.76 105.19 106.39 1x4m n GLY 59 Ca -0.43 -1.88 -0.13 0.00 0.00 0.00 0.00 46.02 43.58 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 -1.00 4.67 -2.26 4.61 0.00 -1.26 -5.02 120.51 120.26 1x4m n ALA 60 Ca 0.00 -3.50 -0.15 0.00 0.00 0.00 0.00 53.44 49.79 1x4m n ALA 60 Cb 0.00 -0.57 -0.10 0.00 0.00 0.00 0.00 19.45 18.79 1x4m n ALA 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x4m s ASP 61 N -3.09 0.80 -0.10 0.00 1.11 -1.26 -4.16 116.67 109.97 1x4m s ASP 61 Ca 0.48 -1.48 -0.01 0.00 0.18 0.00 0.00 52.55 51.72 1x4m s ASP 61 Cb 0.41 0.38 0.03 0.00 1.07 0.00 0.00 42.92 44.81 1x4m s ASP 61 CO -0.00 -0.87 -0.03 -0.54 1.18 0.00 0.00 175.17 174.91 1x4m s LYS 62 N -3.96 1.02 -0.34 8.23 -0.14 0.18 -4.86 119.74 119.86 1x4m s LYS 62 Ca 0.38 -0.08 -0.29 0.00 -1.36 0.00 0.00 55.97 54.63 1x4m s LYS 62 Cb 0.06 -1.29 -0.01 0.00 -1.68 0.00 0.00 37.83 34.90 1x4m s LYS 62 CO 0.16 -0.30 1.69 -1.25 -0.76 0.00 0.00 175.35 174.89 1x4m s PRO 63 N 1.85 3.44 -0.21 -1.68 0.04 -1.25 -0.97 135.00 136.22 1x4m s PRO 63 Ca 0.05 1.34 -0.18 0.00 0.04 0.00 0.00 61.00 62.25 1x4m s PRO 63 Cb -0.13 -4.14 -0.03 0.00 0.04 0.00 0.00 34.50 30.24 1x4m s PRO 63 CO -0.07 -1.73 0.49 -1.17 0.04 0.00 0.00 177.00 174.56 1x4m s LEU 64 N 6.38 4.13 -0.24 -3.56 2.96 0.94 -0.84 118.68 128.45 1x4m s LEU 64 Ca 0.75 0.62 -0.12 0.00 -0.22 0.00 0.00 54.13 55.16 1x4m s LEU 64 Cb -0.21 -2.66 -0.05 0.00 0.50 0.00 0.00 46.19 43.77 1x4m s LEU 64 CO 0.33 -0.18 0.22 -0.60 -1.32 0.00 0.00 176.35 174.80 1x4m s ARG 65 N 1.68 4.07 -0.32 1.98 3.52 0.97 -1.28 118.95 129.56 1x4m s ARG 65 Ca 0.23 -0.18 0.00 0.00 -0.13 0.00 0.00 55.73 55.65 1x4m s ARG 65 Cb -0.15 -3.56 0.07 0.00 -1.56 0.00 0.00 34.95 29.75 1x4m s ARG 65 CO 0.09 -0.01 0.03 0.42 -0.81 0.00 0.00 175.30 175.03 1x4m s ILE 66 N 1.25 2.75 0.11 4.11 1.01 -0.03 -0.43 121.20 129.96 1x4m s ILE 66 Ca 0.10 -1.75 0.02 0.00 0.00 0.00 0.00 60.65 59.01 1x4m s ILE 66 Cb -0.14 -2.73 -0.04 0.00 0.01 0.00 0.00 42.46 39.56 1x4m s ILE 66 CO 0.06 -0.30 0.25 0.42 0.00 0.00 0.00 174.94 175.37 1x4m s THR 67 N 1.13 5.31 0.00 2.92 -4.23 -0.39 -0.99 115.64 119.39 1x4m s THR 67 Ca -0.00 -0.58 0.00 0.00 -1.18 0.00 0.00 61.69 59.92 1x4m s THR 67 Cb -0.20 -3.67 0.00 0.00 1.34 0.00 0.00 72.50 69.97 1x4m s THR 67 CO -0.04 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 1x4m n GLY 68 N -0.19 -0.99 3.30 3.99 0.00 0.54 -0.17 105.19 111.67 1x4m n GLY 68 Ca -0.06 0.36 -0.18 0.00 0.00 0.00 0.00 46.02 46.14 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 2.26 0.34 1.61 1.01 -1.26 -2.56 116.67 114.07 1x4m s ASP 69 Ca 0.00 -0.95 0.13 0.00 0.71 0.00 0.00 52.55 52.44 1x4m s ASP 69 Cb 0.00 -0.09 0.59 0.00 1.01 0.00 0.00 42.92 44.43 1x4m s ASP 69 CO 0.00 -0.18 1.74 1.55 0.21 0.00 0.00 175.17 178.49 1x4m h PRO 70 N 2.93 0.00 0.00 8.23 0.13 -1.91 0.57 132.00 141.95 1x4m h PRO 70 Ca -0.39 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.73 1x4m h PRO 70 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1x4m h PRO 70 CO 0.58 0.46 -1.35 0.98 -0.23 0.00 0.00 178.00 178.44 1x4m n TYR 71 N -3.92 0.66 -0.10 1.56 4.19 -1.26 -3.93 117.16 114.36 1x4m n TYR 71 Ca -0.01 0.19 -0.16 0.00 3.31 0.00 0.00 57.90 61.23 1x4m n TYR 71 Cb 0.49 -0.83 -0.07 0.00 0.49 0.00 0.00 39.34 39.43 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 -2.56 0.53 -0.26 2.98 5.02 -1.15 -4.21 118.16 118.51 1x4m n LYS 72 Ca -0.02 0.41 0.07 0.00 -2.02 0.00 0.00 58.31 56.75 1x4m n LYS 72 Cb 0.58 -1.61 0.19 0.00 -0.02 0.00 0.00 35.03 34.18 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 0.39 -0.76 -0.18 2.07 -0.07 0.52 116.25 117.22 1x4m h VAL 73 Ca -0.26 -0.06 0.16 0.00 0.82 0.00 0.00 66.70 67.37 1x4m h VAL 73 Cb 1.09 0.20 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 1x4m h VAL 73 CO -0.16 0.03 0.52 0.06 0.02 0.00 0.00 177.57 178.04 1x4m h GLN 74 N 0.18 0.34 0.13 1.57 3.07 -1.72 -0.71 115.11 117.96 1x4m h GLN 74 Ca 0.44 -0.02 -0.01 0.00 0.09 0.00 0.00 58.65 59.16 1x4m h GLN 74 Cb 0.81 -0.08 0.00 0.00 0.08 0.00 0.00 27.48 28.29 1x4m h GLN 74 CO -0.61 0.22 -0.06 1.96 0.09 0.00 0.00 178.83 180.43 1x4m h GLN 75 N 0.35 -0.16 -1.14 0.06 1.08 -0.17 -3.31 115.11 111.81 1x4m h GLN 75 Ca 0.38 0.01 0.32 0.00 -1.45 0.00 0.00 58.65 57.91 1x4m h GLN 75 Cb 0.97 0.04 -0.08 0.00 -0.05 0.00 0.00 27.48 28.35 1x4m h GLN 75 CO -0.11 0.00 0.77 0.00 -0.95 0.00 0.00 178.83 178.54 1x4m h ALA 76 N -0.90 2.61 -0.65 3.87 0.00 -0.93 0.53 119.26 123.80 1x4m h ALA 76 Ca -0.02 0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.03 1x4m h ALA 76 Cb 0.24 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1x4m h ALA 76 CO 0.03 -1.03 0.43 -0.22 0.00 0.00 0.00 179.25 178.46 1x4m h LYS 77 N 0.22 0.46 -0.07 0.00 3.64 -1.22 -0.76 116.57 118.84 1x4m h LYS 77 Ca 0.62 -0.03 -0.20 0.00 -1.27 0.00 0.00 60.65 59.78 1x4m h LYS 77 Cb 1.93 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 33.65 1x4m h LYS 77 CO -0.22 0.31 -0.79 0.93 -2.27 0.00 0.00 179.45 177.41 1x4m h GLU 78 N 0.48 0.45 -0.43 1.90 5.08 -0.04 -2.07 114.58 119.95 1x4m h GLU 78 Ca 0.30 -0.40 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1x4m h GLU 78 Cb 0.53 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 1x4m h GLU 78 CO -0.09 1.04 0.26 0.52 -1.00 0.00 0.00 179.01 179.73 1x4m h MET 79 N 0.30 0.58 0.15 2.33 2.86 -1.04 -0.54 114.93 119.56 1x4m h MET 79 Ca -0.05 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 1x4m h MET 79 Cb 1.38 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.92 1x4m h MET 79 CO 0.14 0.43 -0.07 0.28 1.06 0.00 0.00 176.91 178.75 1x4m h VAL 80 N 0.57 0.98 -0.73 -2.22 2.07 -1.45 -2.39 116.25 113.07 1x4m h VAL 80 Ca 0.15 -1.04 0.15 0.00 0.82 0.00 0.00 66.70 66.79 1x4m h VAL 80 Cb -0.00 1.57 -0.10 0.00 -1.52 0.00 0.00 31.29 31.24 1x4m h VAL 80 CO -0.03 0.23 0.24 -0.07 0.02 0.00 0.00 177.57 177.96 1x4m h LEU 81 N -0.73 0.16 -1.39 2.57 3.38 -1.35 0.30 115.31 118.24 1x4m h LEU 81 Ca -0.02 0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1x4m h LEU 81 Cb 0.52 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1x4m h LEU 81 CO 0.03 0.04 -0.29 -0.08 0.09 0.00 0.00 178.44 178.23 1x4m h GLU 82 N 0.36 0.00 -0.25 1.13 4.22 -1.13 -1.97 114.58 116.95 1x4m h GLU 82 Ca 0.41 0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.81 1x4m h GLU 82 Cb 0.65 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1x4m h GLU 82 CO -0.44 0.29 -0.01 1.25 -2.18 0.00 0.00 179.01 177.92 1x4m h LEU 83 N 0.00 0.34 0.00 1.64 7.12 0.14 -2.58 115.31 121.97 1x4m h LEU 83 Ca -0.00 -0.05 -0.16 0.00 0.13 0.00 0.00 57.88 57.79 1x4m h LEU 83 Cb 0.59 -0.09 -0.03 0.00 -0.53 0.00 0.00 40.66 40.61 1x4m h LEU 83 CO 0.04 0.41 -1.36 0.16 -0.13 0.00 0.00 178.44 177.55 1x4m h ILE 84 N 0.36 0.51 -0.94 4.05 3.07 -1.14 -3.43 117.51 120.00 1x4m h ILE 84 Ca 0.08 -2.00 -0.59 0.00 1.55 0.00 0.00 64.86 63.90 1x4m h ILE 84 Cb 0.25 2.05 -0.08 0.00 -0.27 0.00 0.00 36.82 38.77 1x4m h ILE 84 CO 0.01 0.29 1.69 -0.13 -1.05 0.00 0.00 178.15 178.96 1x4m s ARG 85 N -2.93 3.59 -0.25 0.16 0.52 -0.77 -4.90 118.95 114.38 1x4m s ARG 85 Ca -0.03 -1.41 -0.01 0.00 -0.52 0.00 0.00 55.73 53.77 1x4m s ARG 85 Cb 0.09 -5.40 0.08 0.00 0.52 0.00 0.00 34.95 30.23 1x4m s ARG 85 CO 0.81 -2.45 0.04 0.34 0.02 0.00 0.00 175.30 174.06 1x4m s ASP 86 N 5.03 3.53 0.11 0.23 2.15 -1.26 -4.90 116.67 121.56 1x4m s ASP 86 Ca 0.53 -1.21 0.04 0.00 0.43 0.00 0.00 52.55 52.34 1x4m s ASP 86 Cb 0.01 -0.82 -0.04 0.00 -0.30 0.00 0.00 42.92 41.77 1x4m s ASP 86 CO -0.01 -0.33 -0.10 -1.10 -0.17 0.00 0.00 175.17 173.46 1x4m s GLN 87 N 1.67 0.92 -0.16 4.34 1.11 -1.26 -5.00 119.66 121.27 1x4m s GLN 87 Ca 0.02 -1.24 -0.09 0.00 0.01 0.00 0.00 55.36 54.06 1x4m s GLN 87 Cb -0.17 -0.59 0.04 0.00 -1.01 0.00 0.00 33.01 31.27 1x4m s GLN 87 CO -0.14 0.09 0.18 0.41 0.01 0.00 0.00 175.29 175.84 1x4m n GLY 88 N 0.37 -4.11 3.81 3.09 0.00 -1.26 -4.96 105.19 102.13 1x4m n GLY 88 Ca -0.15 1.37 -0.39 0.00 0.00 0.00 0.00 46.02 46.86 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 -0.61 7.01 0.00 1.61 0.01 -1.26 -4.68 113.70 115.78 1x4m s SER 89 Ca -0.21 1.20 0.00 0.00 1.31 0.00 0.00 55.95 58.25 1x4m s SER 89 Cb 0.01 -2.34 0.00 0.00 0.21 0.00 0.00 66.02 63.90 1x4m s SER 89 CO 0.63 0.27 0.00 0.61 0.41 0.00 0.00 173.24 175.16 1x4m n GLY 90 N 1.82 1.45 3.77 3.44 0.00 -1.26 -5.04 105.19 109.36 1x4m n GLY 90 Ca -0.11 -0.79 -0.36 0.00 0.00 0.00 0.00 46.02 44.77 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 0.00 3.57 -0.26 1.61 0.04 -1.26 -5.05 135.00 133.65 1x4m s PRO 91 Ca 0.00 1.69 -0.03 0.00 0.04 0.00 0.00 61.00 62.71 1x4m s PRO 91 Cb 0.00 -2.21 0.15 0.00 0.04 0.00 0.00 34.50 32.47 1x4m s PRO 91 CO 0.00 -0.69 0.46 -1.54 0.04 0.00 0.00 177.00 175.27 1x4m s SER 92 N -1.56 -0.35 -0.03 6.66 1.04 -1.26 -5.01 113.70 113.19 1x4m s SER 92 Ca 0.68 0.52 -0.05 0.00 0.48 0.00 0.00 55.95 57.58 1x4m s SER 92 Cb -0.26 1.50 -0.03 0.00 0.10 0.00 0.00 66.02 67.33 1x4m s SER 92 CO 0.31 -0.28 -0.10 -0.24 0.98 0.00 0.00 173.24 173.90 1x4m n SER 93 N 5.39 0.98 0.00 7.02 2.88 -1.26 -5.29 113.62 123.34 1x4m n SER 93 Ca -0.03 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 1x4m n SER 93 Cb 0.50 -0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.61 1x4m n SER 93 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42