#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5h s SER 2 N 0.00 -0.43 -0.18 1.61 0.15 -1.26 -5.18 113.70 108.41 1x5h s SER 2 Ca 0.00 0.12 -0.31 0.00 0.70 0.00 0.00 55.95 56.46 1x5h s SER 2 Cb 0.00 0.50 0.14 0.00 -1.71 0.00 0.00 66.02 64.95 1x5h s SER 2 CO 0.00 -0.75 1.14 -0.55 1.20 0.00 0.00 173.24 174.28 1x5h s SER 3 N -2.09 -0.22 -0.30 5.45 0.15 -1.26 -5.17 113.70 110.27 1x5h s SER 3 Ca -0.04 0.14 -0.18 0.00 0.70 0.00 0.00 55.95 56.57 1x5h s SER 3 Cb -0.00 0.20 0.19 0.00 -1.71 0.00 0.00 66.02 64.70 1x5h s SER 3 CO -0.03 -0.27 1.23 -0.83 1.20 0.00 0.00 173.24 174.54 1x5h s GLY 4 N -1.61 0.30 0.07 9.45 0.00 -1.26 -5.18 107.32 109.10 1x5h s GLY 4 Ca 0.05 3.61 0.02 0.00 0.00 0.00 0.00 44.72 48.40 1x5h s GLY 4 CO -0.04 3.17 -0.07 -0.56 0.00 0.00 0.00 173.10 175.60 1x5h s SER 5 N 1.81 1.02 -0.06 1.64 0.01 -1.26 -5.16 113.70 111.70 1x5h s SER 5 Ca -0.03 -0.77 -0.02 0.00 1.31 0.00 0.00 55.95 56.44 1x5h s SER 5 Cb -0.02 0.06 0.04 0.00 0.21 0.00 0.00 66.02 66.31 1x5h s SER 5 CO -0.15 -0.33 0.13 -0.55 0.41 0.00 0.00 173.24 172.75 1x5h s SER 6 N -2.30 0.12 -0.59 2.44 0.15 -1.26 -5.04 113.70 107.22 1x5h s SER 6 Ca 0.01 0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.92 1x5h s SER 6 Cb -0.03 0.15 0.47 0.00 -1.71 0.00 0.00 66.02 64.90 1x5h s SER 6 CO -0.02 -0.17 1.89 0.61 1.20 0.00 0.00 173.24 176.75 1x5h n GLY 7 N 4.45 5.84 2.95 9.45 0.00 -1.26 -4.91 105.19 121.70 1x5h n GLY 7 Ca -0.22 -2.25 -0.26 0.00 0.00 0.00 0.00 46.02 43.29 1x5h n GLY 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x5h s ASP 8 N -2.08 2.08 0.02 1.61 1.01 -1.26 -5.12 116.67 112.93 1x5h s ASP 8 Ca 0.62 -0.31 -0.29 0.00 0.71 0.00 0.00 52.55 53.27 1x5h s ASP 8 Cb 0.49 -0.86 -0.04 0.00 1.01 0.00 0.00 42.92 43.52 1x5h s ASP 8 CO 0.01 -0.07 0.94 0.68 0.21 0.00 0.00 175.17 176.95 1x5h s VAL 9 N 1.36 4.80 -0.30 -1.27 -7.23 -1.26 -5.02 120.40 111.47 1x5h s VAL 9 Ca -0.01 1.99 -0.06 0.00 -1.81 0.00 0.00 61.98 62.09 1x5h s VAL 9 Cb -0.14 -4.29 0.17 0.00 0.56 0.00 0.00 36.38 32.69 1x5h s VAL 9 CO -0.05 0.21 0.74 0.00 -0.31 0.00 0.00 175.10 175.69 1x5h s ALA 10 N 0.73 -2.50 -0.27 1.32 0.00 -1.26 -5.16 121.76 114.62 1x5h s ALA 10 Ca 0.49 1.87 -0.21 0.00 0.00 0.00 0.00 51.96 54.12 1x5h s ALA 10 Cb -0.21 -2.16 0.07 0.00 0.00 0.00 0.00 23.12 20.83 1x5h s ALA 10 CO 0.27 -1.25 0.70 0.54 0.00 0.00 0.00 175.76 176.03 1x5h s VAL 11 N 2.84 -0.00 0.03 0.00 0.11 -1.26 -5.08 120.40 117.04 1x5h s VAL 11 Ca 0.10 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.11 1x5h s VAL 11 Cb -0.13 -0.99 -0.01 0.00 -1.53 0.00 0.00 36.38 33.71 1x5h s VAL 11 CO -0.18 0.00 -0.08 0.54 -3.33 0.00 0.00 175.10 172.05 1x5h n ARG 12 N 3.41 0.12 -4.59 1.54 1.74 -1.26 -5.06 116.66 112.56 1x5h n ARG 12 Ca -0.17 0.05 -0.31 0.00 -0.77 0.00 0.00 57.85 56.65 1x5h n ARG 12 Cb 0.57 -0.72 -0.12 0.00 -1.02 0.00 0.00 32.46 31.17 1x5h n ARG 12 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1x5h s THR 13 N -2.21 3.06 -0.30 0.55 2.01 -1.26 -5.10 115.64 112.39 1x5h s THR 13 Ca -0.07 -1.06 -0.14 0.00 0.31 0.00 0.00 61.69 60.73 1x5h s THR 13 Cb 0.01 -2.30 0.18 0.00 0.01 0.00 0.00 72.50 70.39 1x5h s THR 13 CO 0.10 0.35 1.08 -1.48 -0.69 0.00 0.00 174.62 173.98 1x5h s LEU 14 N -1.44 -0.39 -0.02 4.42 0.05 -1.26 -5.18 118.68 114.85 1x5h s LEU 14 Ca 0.16 0.26 -0.31 0.00 0.05 0.00 0.00 54.13 54.29 1x5h s LEU 14 Cb -0.11 1.33 0.12 0.00 -2.05 0.00 0.00 46.19 45.49 1x5h s LEU 14 CO 0.06 -0.07 1.26 -0.94 -0.55 0.00 0.00 176.35 176.11 1x5h s SER 15 N 2.93 -0.07 -0.06 1.48 1.04 -1.26 -5.06 113.70 112.69 1x5h s SER 15 Ca -0.03 -0.14 -0.27 0.00 0.48 0.00 0.00 55.95 56.00 1x5h s SER 15 Cb -0.10 0.18 -0.22 0.00 0.10 0.00 0.00 66.02 65.98 1x5h s SER 15 CO -0.11 -0.33 1.10 0.44 0.98 0.00 0.00 173.24 175.33 1x5h h ASP 16 N 2.00 0.00 -1.85 7.02 3.32 -2.02 -3.46 116.42 121.43 1x5h h ASP 16 Ca -0.28 -0.66 -0.53 0.00 0.02 0.00 0.00 57.03 55.58 1x5h h ASP 16 Cb 1.20 -0.00 0.19 0.00 0.22 0.00 0.00 39.33 40.95 1x5h h ASP 16 CO 0.28 0.66 -1.40 1.33 -1.72 0.00 0.00 179.24 178.38 1x5h n VAL 17 N -4.77 0.00 -2.26 -1.35 0.24 -1.26 -4.86 118.33 104.06 1x5h n VAL 17 Ca -0.09 -0.46 -0.37 0.00 -2.04 0.00 0.00 64.34 61.38 1x5h n VAL 17 Cb 0.33 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.69 1x5h n VAL 17 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1x5h s PRO 18 N -1.40 3.79 -0.27 7.34 0.04 -1.26 -4.98 135.00 138.27 1x5h s PRO 18 Ca 0.45 1.78 0.10 0.00 0.04 0.00 0.00 61.00 63.37 1x5h s PRO 18 Cb -0.31 -2.44 0.47 0.00 0.04 0.00 0.00 34.50 32.26 1x5h s PRO 18 CO 0.69 -0.53 1.18 0.45 0.04 0.00 0.00 177.00 178.83 1x5h n SER 19 N -0.42 4.05 -3.98 6.66 2.88 -1.26 -3.95 113.62 117.60 1x5h n SER 19 Ca 0.07 -3.43 -0.31 0.00 -1.33 0.00 0.00 58.87 53.87 1x5h n SER 19 Cb 0.48 -0.38 -0.15 0.00 -0.75 0.00 0.00 64.21 63.41 1x5h n SER 19 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x5h s ALA 20 N -3.55 2.12 0.31 -1.46 0.00 -1.26 -4.92 121.76 113.00 1x5h s ALA 20 Ca 0.46 -1.45 -0.00 0.00 0.00 0.00 0.00 51.96 50.97 1x5h s ALA 20 Cb 0.39 -1.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.02 1x5h s ALA 20 CO 0.01 -1.16 0.51 0.00 0.00 0.00 0.00 175.76 175.13 1x5h s ALA 21 N 1.32 3.72 0.29 0.00 0.00 -1.26 -4.61 121.76 121.22 1x5h s ALA 21 Ca -0.06 -0.87 -0.29 0.00 0.00 0.00 0.00 51.96 50.73 1x5h s ALA 21 Cb -0.19 -2.09 -0.10 0.00 0.00 0.00 0.00 23.12 20.74 1x5h s ALA 21 CO -0.06 0.10 1.24 -1.25 0.00 0.00 0.00 175.76 175.79 1x5h s PRO 22 N -4.04 4.45 0.37 0.00 0.04 -1.26 -4.26 135.00 130.30 1x5h s PRO 22 Ca 0.40 2.06 0.05 0.00 0.04 0.00 0.00 61.00 63.55 1x5h s PRO 22 Cb -0.10 -3.13 0.05 0.00 0.04 0.00 0.00 34.50 31.36 1x5h s PRO 22 CO 0.34 -0.08 0.43 0.00 0.04 0.00 0.00 177.00 177.73 1x5h n GLN 23 N 1.29 0.82 -4.15 4.56 10.64 -0.78 -4.63 117.38 125.14 1x5h n GLN 23 Ca 0.01 -2.10 -0.34 0.00 -1.83 0.00 0.00 57.00 52.74 1x5h n GLN 23 Cb 0.43 -0.02 -0.02 0.00 -0.86 0.00 0.00 30.24 29.78 1x5h n GLN 23 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1x5h n ASN 24 N -2.32 -3.15 -4.75 2.61 3.02 -1.26 -1.90 115.26 107.51 1x5h n ASN 24 Ca 0.06 -0.98 -0.32 0.00 -0.03 0.00 0.00 54.58 53.31 1x5h n ASN 24 Cb 0.40 -2.96 0.08 0.00 -0.61 0.00 0.00 39.78 36.69 1x5h n ASN 24 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1x5h s LEU 25 N -7.24 3.18 -0.14 3.41 2.96 -1.26 -4.36 118.68 115.24 1x5h s LEU 25 Ca 0.63 2.02 -0.33 0.00 -0.22 0.00 0.00 54.13 56.23 1x5h s LEU 25 Cb -0.34 -4.55 0.13 0.00 0.50 0.00 0.00 46.19 41.93 1x5h s LEU 25 CO 0.91 -2.06 1.12 -0.44 -1.32 0.00 0.00 176.35 174.56 1x5h s SER 26 N -2.79 -0.20 -0.27 3.68 0.01 0.03 -4.98 113.70 109.18 1x5h s SER 26 Ca 0.66 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.93 1x5h s SER 26 Cb -0.21 0.21 0.08 0.00 0.21 0.00 0.00 66.02 66.31 1x5h s SER 26 CO 0.49 -0.33 0.03 -0.76 0.41 0.00 0.00 173.24 173.08 1x5h s LEU 27 N -2.22 2.54 -1.20 2.44 1.43 -1.26 -0.98 118.68 119.44 1x5h s LEU 27 Ca 0.08 -1.43 -0.16 0.00 -1.03 0.00 0.00 54.13 51.59 1x5h s LEU 27 Cb -0.01 -1.04 0.12 0.00 0.03 0.00 0.00 46.19 45.30 1x5h s LEU 27 CO -0.06 -0.33 1.51 -0.70 0.23 0.00 0.00 176.35 177.00 1x5h s GLU 28 N 1.48 3.97 -0.84 1.70 2.56 0.32 -4.93 118.70 122.96 1x5h s GLU 28 Ca 0.03 -2.20 -0.20 0.00 0.00 0.00 0.00 54.97 52.60 1x5h s GLU 28 Cb -0.18 -5.23 -0.20 0.00 2.00 0.00 0.00 34.13 30.51 1x5h s GLU 28 CO -0.14 -1.97 2.25 0.28 -0.56 0.00 0.00 175.26 175.13 1x5h n VAL 29 N 5.47 0.00 0.21 3.70 0.31 -1.26 -2.51 118.33 124.25 1x5h n VAL 29 Ca 0.39 -0.46 -0.15 0.00 -0.01 0.00 0.00 64.34 64.12 1x5h n VAL 29 Cb 0.45 -1.29 -0.07 0.00 -0.91 0.00 0.00 33.84 32.02 1x5h n VAL 29 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1x5h h ARG 30 N 11.93 -0.58 0.00 5.55 2.47 -1.87 -3.47 114.38 128.41 1x5h h ARG 30 Ca 0.01 0.04 -0.41 0.00 -1.26 0.00 0.00 59.98 58.36 1x5h h ARG 30 Cb 1.04 0.13 -0.10 0.00 -1.65 0.00 0.00 29.97 29.39 1x5h h ARG 30 CO 1.20 -0.39 -0.37 0.09 0.56 0.00 0.00 179.97 181.06 1x5h n ASN 31 N -5.39 0.34 0.11 7.04 3.02 -0.23 -5.00 115.26 115.15 1x5h n ASN 31 Ca -0.09 -2.73 -0.03 0.00 -0.03 0.00 0.00 54.58 51.70 1x5h n ASN 31 Cb 0.30 1.06 0.08 0.00 -0.61 0.00 0.00 39.78 40.61 1x5h n ASN 31 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1x5h h SER 32 N 1.44 0.00 0.00 6.41 4.64 -1.89 -3.22 113.55 120.93 1x5h h SER 32 Ca -0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1x5h h SER 32 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1x5h h SER 32 CO 0.34 0.73 -1.49 2.29 -0.87 0.00 0.00 176.83 177.83 1x5h n LYS 33 N -3.63 0.47 -5.24 4.77 2.85 -1.26 -3.84 118.16 112.28 1x5h n LYS 33 Ca -0.01 -0.10 -0.30 0.00 -1.05 0.00 0.00 58.31 56.85 1x5h n LYS 33 Cb 0.72 -1.48 -0.16 0.00 -0.65 0.00 0.00 35.03 33.46 1x5h n LYS 33 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1x5h s SER 34 N -3.72 2.90 -0.16 -5.58 1.04 -1.21 0.34 113.70 107.31 1x5h s SER 34 Ca -0.00 -0.45 -0.03 0.00 0.48 0.00 0.00 55.95 55.95 1x5h s SER 34 Cb 0.14 -0.36 0.05 0.00 0.10 0.00 0.00 66.02 65.96 1x5h s SER 34 CO 0.86 0.30 0.03 -0.63 0.98 0.00 0.00 173.24 174.78 1x5h s ILE 35 N -0.55 0.42 0.28 -1.02 1.01 0.55 -1.07 121.20 120.82 1x5h s ILE 35 Ca 0.09 -0.36 -0.24 0.00 0.00 0.00 0.00 60.65 60.14 1x5h s ILE 35 Cb -0.10 -0.86 -0.09 0.00 0.01 0.00 0.00 42.46 41.42 1x5h s ILE 35 CO -0.01 -0.11 0.86 -0.32 0.00 0.00 0.00 174.94 175.36 1x5h s MET 36 N 1.92 4.47 -0.09 2.79 -2.45 -1.04 -2.08 119.30 122.81 1x5h s MET 36 Ca 0.01 1.15 0.03 0.00 -1.25 0.00 0.00 55.69 55.63 1x5h s MET 36 Cb -0.16 -2.86 -0.01 0.00 1.25 0.00 0.00 34.83 33.05 1x5h s MET 36 CO -0.07 0.34 -0.18 0.42 1.05 0.00 0.00 175.02 176.58 1x5h s ILE 37 N -1.55 2.65 -0.13 10.11 1.01 0.51 -0.52 121.20 133.27 1x5h s ILE 37 Ca 0.47 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 60.29 1x5h s ILE 37 Cb -0.18 -2.05 0.02 0.00 0.01 0.00 0.00 42.46 40.26 1x5h s ILE 37 CO 0.23 0.55 -0.13 -1.00 0.00 0.00 0.00 174.94 174.59 1x5h s HIS 38 N 0.03 2.00 0.05 3.97 3.76 -0.15 -2.38 115.29 122.57 1x5h s HIS 38 Ca -0.06 -1.06 0.00 0.00 -0.15 0.00 0.00 55.06 53.78 1x5h s HIS 38 Cb -0.15 -1.49 -0.03 0.00 1.11 0.00 0.00 32.58 32.02 1x5h s HIS 38 CO 0.05 -0.59 -0.04 1.67 -0.85 0.00 0.00 174.74 174.97 1x5h s TRP 39 N 1.39 0.55 0.08 1.40 -2.14 -1.13 -0.79 118.94 118.29 1x5h s TRP 39 Ca 0.02 -0.83 0.06 0.00 2.66 0.00 0.00 56.10 58.01 1x5h s TRP 39 Cb -0.13 -0.36 -0.04 0.00 -3.10 0.00 0.00 33.47 29.83 1x5h s TRP 39 CO -0.08 -0.25 -0.09 -0.65 -2.66 0.00 0.00 176.95 173.23 1x5h s GLN 40 N -2.96 2.26 0.42 3.25 1.11 -0.80 -4.79 119.66 118.15 1x5h s GLN 40 Ca -0.00 -0.94 -0.25 0.00 0.01 0.00 0.00 55.36 54.18 1x5h s GLN 40 Cb 0.00 -2.37 -0.08 0.00 -1.01 0.00 0.00 33.01 29.56 1x5h s GLN 40 CO -0.05 0.53 1.18 -1.25 0.01 0.00 0.00 175.29 175.71 1x5h s PRO 41 N -2.01 3.97 0.99 2.91 0.04 -1.26 -1.87 135.00 137.77 1x5h s PRO 41 Ca 0.21 1.86 -0.12 0.00 0.04 0.00 0.00 61.00 62.98 1x5h s PRO 41 Cb -0.11 -2.62 0.18 0.00 0.04 0.00 0.00 34.50 31.99 1x5h s PRO 41 CO 0.12 -0.40 1.09 -1.25 0.04 0.00 0.00 177.00 176.61 1x5h s PRO 42 N -2.39 0.50 0.64 0.56 0.04 -1.26 -4.61 135.00 128.48 1x5h s PRO 42 Ca 0.59 0.55 -0.18 0.00 0.04 0.00 0.00 61.00 62.00 1x5h s PRO 42 Cb -0.31 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 1x5h s PRO 42 CO 0.39 -2.69 0.93 0.00 0.04 0.00 0.00 177.00 175.67 1x5h n ALA 43 N -4.15 -0.00 -0.11 8.56 0.00 -1.26 -4.90 120.51 118.64 1x5h n ALA 43 Ca 0.05 -0.05 -0.13 0.00 0.00 0.00 0.00 53.44 53.32 1x5h n ALA 43 Cb 0.57 -2.09 -0.01 0.00 0.00 0.00 0.00 19.45 17.91 1x5h n ALA 43 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1x5h h PRO 44 N 0.26 0.92 -0.45 0.00 0.13 -1.94 -2.85 132.00 128.07 1x5h h PRO 44 Ca -0.48 -0.49 0.01 0.00 -0.87 0.00 0.00 66.00 64.17 1x5h h PRO 44 Cb 1.36 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.48 1x5h h PRO 44 CO 0.49 1.14 0.29 0.00 -0.23 0.00 0.00 178.00 179.69 1x5h h ALA 45 N 0.79 0.58 -0.30 -0.56 0.00 -2.04 -2.30 119.26 115.43 1x5h h ALA 45 Ca 0.06 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1x5h h ALA 45 Cb 0.98 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1x5h h ALA 45 CO 0.09 -0.00 -0.04 1.79 0.00 0.00 0.00 179.25 181.09 1x5h h THR 46 N 0.58 1.20 -2.13 0.00 1.35 -1.94 -3.42 112.91 108.55 1x5h h THR 46 Ca 0.17 -0.82 -0.57 0.00 -0.55 0.00 0.00 66.41 64.64 1x5h h THR 46 Cb -0.04 1.02 0.01 0.00 -1.73 0.00 0.00 68.15 67.42 1x5h h THR 46 CO -0.06 0.27 1.26 0.00 -0.25 0.00 0.00 175.52 176.75 1x5h n GLN 47 N -4.27 2.43 0.07 4.72 6.02 -0.87 -4.70 117.38 120.78 1x5h n GLN 47 Ca 0.01 0.85 -0.07 0.00 -0.01 0.00 0.00 57.00 57.77 1x5h n GLN 47 Cb 0.26 -2.94 -0.10 0.00 1.02 0.00 0.00 30.24 28.48 1x5h n GLN 47 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 1x5h h ASN 48 N 11.26 0.05 -5.40 1.08 2.35 -1.85 -3.48 115.58 119.58 1x5h h ASN 48 Ca -0.47 -0.05 -0.21 0.00 -0.55 0.00 0.00 56.30 55.02 1x5h h ASN 48 Cb 1.25 -0.02 -0.06 0.00 0.05 0.00 0.00 38.32 39.54 1x5h h ASN 48 CO 0.95 1.01 -0.09 -0.83 -1.65 0.00 0.00 177.43 176.82 1x5h s GLY 49 N -4.68 1.22 0.04 2.83 0.00 -1.26 -5.09 107.32 100.37 1x5h s GLY 49 Ca 0.00 -1.33 -0.30 0.00 0.00 0.00 0.00 44.72 43.09 1x5h s GLY 49 CO 0.82 -0.84 1.30 -0.86 0.00 0.00 0.00 173.10 173.52 1x5h s GLN 50 N -2.94 4.35 0.52 2.90 -2.07 -1.26 -5.00 119.66 116.16 1x5h s GLN 50 Ca 0.27 1.88 -0.20 0.00 -1.82 0.00 0.00 55.36 55.49 1x5h s GLN 50 Cb -0.01 -3.42 -0.07 0.00 -1.09 0.00 0.00 33.01 28.42 1x5h s GLN 50 CO 0.18 -0.42 1.11 0.42 -1.32 0.00 0.00 175.29 175.26 1x5h s ILE 51 N 1.63 3.33 -0.03 3.63 1.01 -1.26 -4.35 121.20 125.16 1x5h s ILE 51 Ca 0.61 0.85 -0.00 0.00 0.00 0.00 0.00 60.65 62.11 1x5h s ILE 51 Cb -0.31 -3.35 -0.02 0.00 0.01 0.00 0.00 42.46 38.79 1x5h s ILE 51 CO 0.28 -0.16 -0.03 0.35 0.00 0.00 0.00 174.94 175.38 1x5h n THR 52 N -1.12 0.16 -3.83 2.92 -2.24 0.07 -4.90 114.28 105.34 1x5h n THR 52 Ca 0.11 -0.06 -0.06 0.00 -2.27 0.00 0.00 64.05 61.76 1x5h n THR 52 Cb 0.51 -0.75 0.01 0.00 -2.10 0.00 0.00 70.33 68.01 1x5h n THR 52 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1x5h s GLY 53 N -4.40 0.17 -0.01 3.38 0.00 -1.16 -1.06 107.32 104.24 1x5h s GLY 53 Ca -0.04 -0.47 0.06 0.00 0.00 0.00 0.00 44.72 44.27 1x5h s GLY 53 CO 0.06 0.59 -0.20 -0.19 0.00 0.00 0.00 173.10 173.36 1x5h s TYR 54 N -2.57 1.80 -0.51 1.90 1.51 -1.24 0.55 117.35 118.79 1x5h s TYR 54 Ca 0.16 -0.34 -0.15 0.00 -1.01 0.00 0.00 57.07 55.74 1x5h s TYR 54 Cb -0.04 -1.15 0.11 0.00 -0.11 0.00 0.00 41.96 40.77 1x5h s TYR 54 CO 0.08 -0.02 0.45 0.21 -1.11 0.00 0.00 175.55 175.15 1x5h s LYS 55 N -0.52 2.90 -0.44 -0.62 2.20 0.12 -2.98 119.74 120.41 1x5h s LYS 55 Ca 0.08 -1.63 -0.16 0.00 -0.36 0.00 0.00 55.97 53.89 1x5h s LYS 55 Cb -0.08 -4.19 0.04 0.00 -1.51 0.00 0.00 37.83 32.09 1x5h s LYS 55 CO -0.01 -1.23 0.41 0.42 -0.36 0.00 0.00 175.35 174.59 1x5h s ILE 56 N 1.57 5.14 -0.10 5.43 1.01 -0.44 -2.50 121.20 131.32 1x5h s ILE 56 Ca 0.04 -0.62 -0.01 0.00 0.00 0.00 0.00 60.65 60.06 1x5h s ILE 56 Cb -0.28 -4.06 -0.03 0.00 0.01 0.00 0.00 42.46 38.10 1x5h s ILE 56 CO 0.03 -0.47 -0.05 -0.13 0.00 0.00 0.00 174.94 174.31 1x5h s ARG 57 N 1.95 3.06 -0.01 2.79 0.52 -0.66 -1.53 118.95 125.08 1x5h s ARG 57 Ca 0.09 -0.53 0.01 0.00 -0.52 0.00 0.00 55.73 54.78 1x5h s ARG 57 Cb -0.20 -2.71 0.00 0.00 0.52 0.00 0.00 34.95 32.57 1x5h s ARG 57 CO 0.11 0.53 -0.03 1.52 0.02 0.00 0.00 175.30 177.45 1x5h s TYR 58 N -0.45 0.30 0.46 -0.53 1.13 -0.82 -1.44 117.35 116.01 1x5h s TYR 58 Ca 0.07 -0.05 0.03 0.00 -1.41 0.00 0.00 57.07 55.71 1x5h s TYR 58 Cb -0.12 -0.23 -0.01 0.00 -1.10 0.00 0.00 41.96 40.50 1x5h s TYR 58 CO 0.02 -0.02 0.10 2.89 -2.51 0.00 0.00 175.55 176.03 1x5h n ARG 59 N 3.16 0.62 -3.92 -3.49 1.85 -0.79 -0.58 116.66 113.52 1x5h n ARG 59 Ca -0.15 -3.67 -0.37 0.00 -1.00 0.00 0.00 57.85 52.66 1x5h n ARG 59 Cb 0.58 1.63 -0.07 0.00 -1.05 0.00 0.00 32.46 33.55 1x5h n ARG 59 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1x5h s LYS 60 N -3.71 3.45 0.07 2.89 1.02 -0.75 -2.27 119.74 120.43 1x5h s LYS 60 Ca 0.14 -0.17 -0.24 0.00 0.02 0.00 0.00 55.97 55.72 1x5h s LYS 60 Cb 0.01 -3.17 -0.16 0.00 -0.52 0.00 0.00 37.83 33.99 1x5h s LYS 60 CO 0.10 0.73 1.66 0.00 -0.92 0.00 0.00 175.35 176.93 1x5h h ALA 61 N 5.13 -0.10 -1.15 5.17 0.00 -1.80 -2.45 119.26 124.07 1x5h h ALA 61 Ca -0.53 -0.05 0.32 0.00 0.00 0.00 0.00 54.91 54.65 1x5h h ALA 61 Cb 1.22 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.97 1x5h h ALA 61 CO 0.59 -0.53 0.78 1.03 0.00 0.00 0.00 179.25 181.12 1x5h h SER 62 N -0.16 0.22 -2.63 0.00 0.87 -1.96 -3.35 113.55 106.54 1x5h h SER 62 Ca -0.01 0.05 -0.30 0.00 -1.23 0.00 0.00 61.79 60.30 1x5h h SER 62 Cb 0.14 0.02 -0.35 0.00 -0.44 0.00 0.00 62.40 61.76 1x5h h SER 62 CO 0.02 0.02 -0.62 0.00 -0.53 0.00 0.00 176.83 175.72 1x5h s ARG 63 N -5.22 0.17 0.00 2.24 1.70 -0.93 -4.99 118.95 111.92 1x5h s ARG 63 Ca -0.07 0.31 0.16 0.00 -0.47 0.00 0.00 55.73 55.66 1x5h s ARG 63 Cb 0.25 -0.96 0.96 0.00 -0.57 0.00 0.00 34.95 34.63 1x5h s ARG 63 CO 0.81 -0.57 1.39 1.63 -1.08 0.00 0.00 175.30 177.47 1x5h n LYS 64 N 5.32 0.60 0.06 3.89 4.01 -1.18 -2.78 118.16 128.07 1x5h n LYS 64 Ca -0.05 0.00 -0.23 0.00 -0.51 0.00 0.00 58.31 57.52 1x5h n LYS 64 Cb 0.50 -1.42 -0.15 0.00 -0.51 0.00 0.00 35.03 33.45 1x5h n LYS 64 CO 0.00 0.00 0.00 0.77 -1.11 0.00 0.00 177.40 177.06 1x5h h SER 65 N 0.00 0.56 -1.92 4.39 0.02 -1.94 -3.43 113.55 111.21 1x5h h SER 65 Ca 0.00 -0.92 -0.49 0.00 -0.84 0.00 0.00 61.79 59.54 1x5h h SER 65 Cb 0.00 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.31 1x5h h SER 65 CO 0.00 1.74 1.25 -0.62 -1.14 0.00 0.00 176.83 178.06 1x5h s ASP 66 N -7.22 5.45 -0.04 3.07 2.15 -1.12 -4.95 116.67 114.01 1x5h s ASP 66 Ca -0.17 0.07 0.03 0.00 0.43 0.00 0.00 52.55 52.91 1x5h s ASP 66 Cb 0.05 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.13 1x5h s ASP 66 CO 0.83 -2.29 -0.13 0.54 -0.17 0.00 0.00 175.17 173.95 1x5h s VAL 67 N 8.46 1.11 0.03 1.11 0.11 -1.26 -1.81 120.40 128.15 1x5h s VAL 67 Ca 0.61 -0.53 0.06 0.00 -2.93 0.00 0.00 61.98 59.19 1x5h s VAL 67 Cb -0.11 -0.97 -0.03 0.00 -1.53 0.00 0.00 36.38 33.73 1x5h s VAL 67 CO 0.17 0.33 -0.15 -0.89 -3.33 0.00 0.00 175.10 171.24 1x5h s THR 68 N 0.20 3.04 0.03 5.04 2.01 0.25 -4.97 115.64 121.24 1x5h s THR 68 Ca -0.05 -1.06 -0.02 0.00 0.31 0.00 0.00 61.69 60.87 1x5h s THR 68 Cb -0.11 -2.29 -0.04 0.00 0.01 0.00 0.00 72.50 70.07 1x5h s THR 68 CO 0.02 0.36 0.21 -0.70 -0.69 0.00 0.00 174.62 173.81 1x5h s GLU 69 N -1.42 3.46 -0.14 4.92 -6.30 -1.26 -1.95 118.70 116.01 1x5h s GLU 69 Ca 0.15 -0.34 -0.04 0.00 -2.50 0.00 0.00 54.97 52.24 1x5h s GLU 69 Cb -0.11 -3.06 0.07 0.00 0.00 0.00 0.00 34.13 31.03 1x5h s GLU 69 CO 0.06 0.64 0.24 0.99 0.02 0.00 0.00 175.26 177.20 1x5h s THR 70 N -1.41 -0.38 0.23 -1.70 2.01 -0.58 -5.00 115.64 108.81 1x5h s THR 70 Ca 0.31 0.20 -0.03 0.00 0.31 0.00 0.00 61.69 62.48 1x5h s THR 70 Cb -0.13 -0.48 -0.05 0.00 0.01 0.00 0.00 72.50 71.86 1x5h s THR 70 CO 0.23 0.05 0.46 -0.22 -0.69 0.00 0.00 174.62 174.45 1x5h s LEU 71 N 2.38 4.16 0.30 4.42 2.96 -1.26 -1.32 118.68 130.32 1x5h s LEU 71 Ca 0.03 0.58 -0.05 0.00 -0.22 0.00 0.00 54.13 54.47 1x5h s LEU 71 Cb -0.13 -3.36 -0.01 0.00 0.50 0.00 0.00 46.19 43.20 1x5h s LEU 71 CO -0.09 -0.10 0.42 0.68 -1.32 0.00 0.00 176.35 175.95 1x5h s VAL 72 N -1.93 0.00 0.52 1.68 -7.23 -1.16 -4.98 120.40 107.30 1x5h s VAL 72 Ca 0.41 -1.62 -0.16 0.00 -1.81 0.00 0.00 61.98 58.81 1x5h s VAL 72 Cb -0.11 -2.51 -0.08 0.00 0.56 0.00 0.00 36.38 34.24 1x5h s VAL 72 CO 0.28 0.00 0.98 -0.55 -0.31 0.00 0.00 175.10 175.51 1x5h s SER 73 N -3.18 6.60 0.08 4.85 0.15 -1.26 -3.60 113.70 117.34 1x5h s SER 73 Ca 0.30 1.55 -0.30 0.00 0.70 0.00 0.00 55.95 58.20 1x5h s SER 73 Cb 0.01 -2.50 -0.17 0.00 -1.71 0.00 0.00 66.02 61.64 1x5h s SER 73 CO 0.17 -0.59 1.66 1.23 1.20 0.00 0.00 173.24 176.90 1x5h h GLY 74 N 0.87 -0.66 2.00 9.45 0.00 -1.42 -1.96 103.07 111.35 1x5h h GLY 74 Ca -0.47 0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1x5h h GLY 74 CO 0.62 -0.24 0.00 -0.37 0.00 0.00 0.00 176.54 176.54 1x5h n THR 75 N -5.37 1.17 -2.66 4.70 5.66 -1.26 -4.55 114.28 111.97 1x5h n THR 75 Ca -0.11 0.38 -0.43 0.00 -3.05 0.00 0.00 64.05 60.84 1x5h n THR 75 Cb 0.27 -1.27 -0.02 0.00 -1.55 0.00 0.00 70.33 67.75 1x5h n THR 75 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 1x5h s GLN 76 N -3.18 3.72 -0.31 1.09 0.74 -0.74 -4.88 119.66 116.10 1x5h s GLN 76 Ca 0.03 0.52 0.10 0.00 0.05 0.00 0.00 55.36 56.07 1x5h s GLN 76 Cb 0.07 -3.89 0.63 0.00 1.10 0.00 0.00 33.01 30.92 1x5h s GLN 76 CO 0.23 -1.30 1.66 1.28 -0.55 0.00 0.00 175.29 176.62 1x5h n LEU 77 N 7.59 5.26 -3.68 3.68 4.77 -1.26 -4.68 117.00 128.68 1x5h n LEU 77 Ca 0.11 -3.38 -0.15 0.00 -0.03 0.00 0.00 56.01 52.55 1x5h n LEU 77 Cb 0.49 -0.69 -0.08 0.00 -2.33 0.00 0.00 43.42 40.81 1x5h n LEU 77 CO 0.69 0.93 0.17 -0.94 -1.33 0.00 0.00 177.39 176.91 1x5h s SER 78 N -1.64 -0.38 -0.13 -1.43 1.04 -1.26 -2.85 113.70 107.05 1x5h s SER 78 Ca 0.50 0.39 -0.12 0.00 0.48 0.00 0.00 55.95 57.21 1x5h s SER 78 Cb 0.42 0.46 0.03 0.00 0.10 0.00 0.00 66.02 67.03 1x5h s SER 78 CO 0.09 -0.47 0.33 -1.58 0.98 0.00 0.00 173.24 172.59 1x5h s GLN 79 N -1.10 0.39 -0.35 4.02 2.00 -1.00 -4.97 119.66 118.64 1x5h s GLN 79 Ca -0.11 0.47 -0.07 0.00 -2.00 0.00 0.00 55.36 53.64 1x5h s GLN 79 Cb -0.03 0.19 0.04 0.00 0.80 0.00 0.00 33.01 34.00 1x5h s GLN 79 CO 0.06 -0.05 0.14 -1.17 -0.50 0.00 0.00 175.29 173.77 1x5h s LEU 80 N 0.19 4.48 -0.46 3.68 2.96 -1.26 -0.37 118.68 127.91 1x5h s LEU 80 Ca -0.00 -1.17 -0.17 0.00 -0.22 0.00 0.00 54.13 52.57 1x5h s LEU 80 Cb -0.02 -1.90 0.05 0.00 0.50 0.00 0.00 46.19 44.81 1x5h s LEU 80 CO 0.00 -0.36 0.47 -0.63 -1.32 0.00 0.00 176.35 174.51 1x5h s ILE 81 N 1.42 5.09 0.35 6.68 -1.09 -0.88 -4.93 121.20 127.83 1x5h s ILE 81 Ca -0.00 -0.63 0.07 0.00 -2.23 0.00 0.00 60.65 57.86 1x5h s ILE 81 Cb -0.20 -4.13 -0.02 0.00 -1.58 0.00 0.00 42.46 36.53 1x5h s ILE 81 CO 0.03 -0.57 0.38 -1.61 -1.23 0.00 0.00 174.94 171.95 1x5h s GLU 82 N 2.09 2.86 0.00 2.79 2.02 -1.26 -0.33 118.70 126.87 1x5h s GLU 82 Ca 0.10 -1.20 0.00 0.00 0.02 0.00 0.00 54.97 53.88 1x5h s GLU 82 Cb -0.20 -2.62 0.00 0.00 0.10 0.00 0.00 34.13 31.41 1x5h s GLU 82 CO 0.11 0.04 0.00 0.41 0.02 0.00 0.00 175.26 175.83 1x5h n GLY 83 N -1.52 0.87 3.69 -1.39 0.00 -0.50 -4.94 105.19 101.39 1x5h n GLY 83 Ca -0.00 -0.29 -0.26 0.00 0.00 0.00 0.00 46.02 45.47 1x5h n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x5h s LEU 84 N -0.56 3.01 0.05 0.99 1.43 0.15 -5.03 118.68 118.73 1x5h s LEU 84 Ca 0.00 -1.20 0.01 0.00 -1.03 0.00 0.00 54.13 51.91 1x5h s LEU 84 Cb 0.00 -1.21 -0.04 0.00 0.03 0.00 0.00 46.19 44.97 1x5h s LEU 84 CO 0.00 -0.49 0.16 -1.81 0.23 0.00 0.00 176.35 174.43 1x5h s ASP 85 N -3.82 6.06 0.74 2.29 1.11 -1.26 -4.17 116.67 117.62 1x5h s ASP 85 Ca 0.38 0.18 -0.11 0.00 0.18 0.00 0.00 52.55 53.19 1x5h s ASP 85 Cb 0.06 -1.80 0.04 0.00 1.07 0.00 0.00 42.92 42.29 1x5h s ASP 85 CO 0.21 0.19 1.08 0.00 1.18 0.00 0.00 175.17 177.82 1x5h s ARG 86 N -2.36 2.56 -1.43 8.23 1.70 -1.25 -4.03 118.95 122.38 1x5h s ARG 86 Ca 0.32 0.71 -0.05 0.00 -0.47 0.00 0.00 55.73 56.24 1x5h s ARG 86 Cb -0.13 -1.97 0.00 0.00 -0.57 0.00 0.00 34.95 32.29 1x5h s ARG 86 CO 0.24 -1.31 0.30 0.41 -1.08 0.00 0.00 175.30 173.87 1x5h n GLY 87 N -2.25 -0.29 3.08 3.88 0.00 -1.26 -4.95 105.19 103.41 1x5h n GLY 87 Ca 0.07 0.20 -0.12 0.00 0.00 0.00 0.00 46.02 46.17 1x5h n GLY 87 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x5h s THR 88 N -4.06 -0.04 0.09 2.61 2.01 -1.26 -4.99 115.64 110.00 1x5h s THR 88 Ca 0.08 0.13 -0.30 0.00 0.31 0.00 0.00 61.69 61.91 1x5h s THR 88 Cb -0.04 -0.41 -0.06 0.00 0.01 0.00 0.00 72.50 72.01 1x5h s THR 88 CO 0.94 0.05 1.19 -0.70 -0.69 0.00 0.00 174.62 175.41 1x5h s GLU 89 N 1.21 4.45 0.08 4.92 2.12 -1.26 -3.48 118.70 126.75 1x5h s GLU 89 Ca -0.09 1.78 0.08 0.00 0.36 0.00 0.00 54.97 57.10 1x5h s GLU 89 Cb -0.10 -3.33 -0.03 0.00 0.26 0.00 0.00 34.13 30.94 1x5h s GLU 89 CO -0.09 -0.21 -0.20 0.71 -0.54 0.00 0.00 175.26 174.94 1x5h s TYR 90 N 0.80 1.72 -0.07 5.30 2.02 0.01 -2.15 117.35 124.98 1x5h s TYR 90 Ca 0.57 -0.41 0.00 0.00 -0.37 0.00 0.00 57.07 56.86 1x5h s TYR 90 Cb -0.30 -0.97 -0.03 0.00 -0.40 0.00 0.00 41.96 40.26 1x5h s TYR 90 CO 0.31 0.16 -0.05 -0.80 -1.57 0.00 0.00 175.55 173.60 1x5h s ASN 91 N -1.69 4.80 0.06 2.29 0.02 -0.96 -0.14 114.94 119.33 1x5h s ASN 91 Ca 0.06 0.02 0.03 0.00 -1.02 0.00 0.00 52.86 51.94 1x5h s ASN 91 Cb -0.10 -1.26 -0.03 0.00 0.02 0.00 0.00 41.25 39.88 1x5h s ASN 91 CO 0.03 0.36 -0.08 -0.36 0.02 0.00 0.00 177.10 177.07 1x5h s PHE 92 N -0.80 0.82 -0.20 2.20 0.08 -0.90 -1.88 117.98 117.30 1x5h s PHE 92 Ca 0.12 -0.61 -0.13 0.00 0.12 0.00 0.00 56.93 56.44 1x5h s PHE 92 Cb -0.11 -0.47 0.06 0.00 -0.57 0.00 0.00 43.02 41.93 1x5h s PHE 92 CO 0.02 -0.07 0.50 -0.98 -0.10 0.00 0.00 175.22 174.59 1x5h s ARG 93 N -2.25 0.51 -0.05 0.44 1.70 -0.52 -2.13 118.95 116.65 1x5h s ARG 93 Ca -0.02 0.89 0.02 0.00 -0.47 0.00 0.00 55.73 56.15 1x5h s ARG 93 Cb -0.06 0.08 -0.03 0.00 -0.57 0.00 0.00 34.95 34.37 1x5h s ARG 93 CO -0.01 -0.14 -0.09 0.08 -1.08 0.00 0.00 175.30 174.06 1x5h s VAL 94 N 1.26 3.53 -0.02 4.99 1.01 -1.26 -1.66 120.40 128.25 1x5h s VAL 94 Ca -0.08 -0.59 -0.04 0.00 0.00 0.00 0.00 61.98 61.27 1x5h s VAL 94 Cb -0.07 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 33.88 1x5h s VAL 94 CO -0.12 0.57 0.10 0.00 0.00 0.00 0.00 175.10 175.64 1x5h s ALA 95 N -0.82 -0.22 0.19 5.51 0.00 -1.04 0.04 121.76 125.42 1x5h s ALA 95 Ca 0.13 0.02 -0.17 0.00 0.00 0.00 0.00 51.96 51.93 1x5h s ALA 95 Cb -0.11 -0.03 -0.08 0.00 0.00 0.00 0.00 23.12 22.90 1x5h s ALA 95 CO 0.02 -0.12 0.65 0.00 0.00 0.00 0.00 175.76 176.31 1x5h s ALA 96 N -0.66 3.48 -0.06 0.00 0.00 -1.19 0.15 121.76 123.49 1x5h s ALA 96 Ca -0.07 0.04 0.05 0.00 0.00 0.00 0.00 51.96 51.98 1x5h s ALA 96 Cb -0.05 -2.69 -0.01 0.00 0.00 0.00 0.00 23.12 20.37 1x5h s ALA 96 CO 0.00 0.38 -0.21 -0.51 0.00 0.00 0.00 175.76 175.42 1x5h s LEU 97 N -1.96 1.99 0.31 0.00 1.43 0.19 -0.00 118.68 120.64 1x5h s LEU 97 Ca 0.41 -0.44 0.03 0.00 -1.03 0.00 0.00 54.13 53.10 1x5h s LEU 97 Cb -0.16 -1.18 -0.04 0.00 0.03 0.00 0.00 46.19 44.84 1x5h s LEU 97 CO 0.20 0.19 0.12 0.42 0.23 0.00 0.00 176.35 177.51 1x5h s THR 98 N -0.00 0.55 0.37 5.49 -4.23 -1.18 -0.75 115.64 115.88 1x5h s THR 98 Ca -0.05 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.58 1x5h s THR 98 Cb -0.13 -2.56 0.35 0.00 1.34 0.00 0.00 72.50 71.50 1x5h s THR 98 CO 0.03 0.00 1.82 -0.29 -0.54 0.00 0.00 174.62 175.64 1x5h h ILE 99 N 2.18 0.68 -0.11 2.99 2.10 -1.96 0.41 117.51 123.80 1x5h h ILE 99 Ca -0.36 -0.19 0.03 0.00 1.08 0.00 0.00 64.86 65.42 1x5h h ILE 99 Cb 1.25 0.07 -0.00 0.00 -1.09 0.00 0.00 36.82 37.05 1x5h h ILE 99 CO 0.57 0.10 0.15 0.78 -1.08 0.00 0.00 178.15 178.68 1x5h h ASN 100 N 0.56 0.00 0.00 2.19 2.35 -1.96 -3.47 115.58 115.25 1x5h h ASN 100 Ca 0.52 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.27 1x5h h ASN 100 Cb 1.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.45 1x5h h ASN 100 CO -0.26 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.13 1x5h n GLY 101 N -1.32 0.63 3.72 2.83 0.00 0.14 -4.74 105.19 106.45 1x5h n GLY 101 Ca -0.00 -0.25 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 1x5h n GLY 101 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x5h s THR 102 N 0.00 1.25 0.15 2.61 -4.23 -1.26 -3.13 115.64 111.02 1x5h s THR 102 Ca 0.00 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.53 1x5h s THR 102 Cb 0.00 -2.31 -0.01 0.00 1.34 0.00 0.00 72.50 71.52 1x5h s THR 102 CO 0.00 0.00 0.08 0.61 -0.54 0.00 0.00 174.62 174.77 1x5h n GLY 103 N -1.18 3.68 3.77 3.99 0.00 1.00 -3.98 105.19 112.47 1x5h n GLY 103 Ca -0.16 -1.89 -0.34 0.00 0.00 0.00 0.00 46.02 43.64 1x5h n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5h s PRO 104 N -2.58 3.03 0.08 1.61 0.04 -1.25 -4.62 135.00 131.31 1x5h s PRO 104 Ca 0.12 1.48 0.07 0.00 0.04 0.00 0.00 61.00 62.71 1x5h s PRO 104 Cb 0.01 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1x5h s PRO 104 CO 0.08 -1.08 -0.15 0.00 0.04 0.00 0.00 177.00 175.89 1x5h s ALA 105 N -2.11 2.76 0.13 8.56 0.00 -1.26 -3.17 121.76 126.68 1x5h s ALA 105 Ca 0.69 -1.24 -0.30 0.00 0.00 0.00 0.00 51.96 51.11 1x5h s ALA 105 Cb -0.22 -0.79 -0.07 0.00 0.00 0.00 0.00 23.12 22.04 1x5h s ALA 105 CO 0.35 0.60 1.15 0.95 0.00 0.00 0.00 175.76 178.82 1x5h s THR 106 N -1.08 3.90 0.16 0.00 -4.23 0.11 -4.92 115.64 109.56 1x5h s THR 106 Ca 0.18 1.52 -0.27 0.00 -1.18 0.00 0.00 61.69 61.93 1x5h s THR 106 Cb -0.11 -3.97 -0.16 0.00 1.34 0.00 0.00 72.50 69.60 1x5h s THR 106 CO 0.09 0.21 0.55 0.47 -0.54 0.00 0.00 174.62 175.40 1x5h n ASP 107 N 2.96 -0.99 -4.49 3.99 8.00 -1.26 -4.39 116.55 120.37 1x5h n ASP 107 Ca 0.05 1.04 -0.44 0.00 0.71 0.00 0.00 54.79 56.16 1x5h n ASP 107 Cb 0.46 -0.87 -0.08 0.00 -0.02 0.00 0.00 41.12 40.62 1x5h n ASP 107 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1x5h n TRP 108 N 0.19 1.31 -3.44 1.24 7.02 -1.26 -4.83 117.44 117.67 1x5h n TRP 108 Ca 0.17 0.24 -0.42 0.00 -1.02 0.00 0.00 57.50 56.47 1x5h n TRP 108 Cb 0.21 -2.53 -0.10 0.00 -2.42 0.00 0.00 31.31 26.47 1x5h n TRP 108 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 1x5h s LEU 109 N 9.28 4.76 0.35 -0.99 2.96 -0.91 -4.92 118.68 129.21 1x5h s LEU 109 Ca 1.12 -0.58 -0.21 0.00 -0.22 0.00 0.00 54.13 54.24 1x5h s LEU 109 Cb -0.73 -2.24 -0.10 0.00 0.50 0.00 0.00 46.19 43.62 1x5h s LEU 109 CO 0.42 -0.39 0.88 -0.44 -1.32 0.00 0.00 176.35 175.50 1x5h s SER 110 N 1.73 7.04 -0.12 3.68 0.01 -1.26 -2.11 113.70 122.67 1x5h s SER 110 Ca 0.08 1.63 -0.06 0.00 1.31 0.00 0.00 55.95 58.91 1x5h s SER 110 Cb -0.18 -2.51 0.05 0.00 0.21 0.00 0.00 66.02 63.59 1x5h s SER 110 CO 0.11 -0.20 0.29 0.00 0.41 0.00 0.00 173.24 173.85 1x5h s ALA 111 N -1.90 -0.69 -0.26 1.44 0.00 0.80 -4.96 121.76 116.20 1x5h s ALA 111 Ca 0.55 1.14 -0.11 0.00 0.00 0.00 0.00 51.96 53.53 1x5h s ALA 111 Cb -0.13 -0.71 -0.05 0.00 0.00 0.00 0.00 23.12 22.23 1x5h s ALA 111 CO 0.18 -0.21 0.19 -2.00 0.00 0.00 0.00 175.76 173.92 1x5h s GLU 112 N 1.27 4.01 1.05 0.00 2.12 -1.26 -0.81 118.70 125.08 1x5h s GLU 112 Ca -0.09 -0.27 -0.13 0.00 0.36 0.00 0.00 54.97 54.84 1x5h s GLU 112 Cb -0.10 -3.61 0.22 0.00 0.26 0.00 0.00 34.13 30.90 1x5h s GLU 112 CO -0.09 -0.08 1.09 0.95 -0.54 0.00 0.00 175.26 176.58 1x5h s THR 113 N 1.47 1.96 -0.21 -1.70 -4.23 -1.23 -4.98 115.64 106.72 1x5h s THR 113 Ca 0.08 0.00 -0.25 0.00 -1.18 0.00 0.00 61.69 60.33 1x5h s THR 113 Cb -0.15 -2.45 -0.01 0.00 1.34 0.00 0.00 72.50 71.24 1x5h s THR 113 CO 0.08 0.00 0.86 -0.36 -0.54 0.00 0.00 174.62 174.66 1x5h s PHE 114 N -2.92 3.36 0.39 3.99 0.08 -1.26 -4.22 117.98 117.39 1x5h s PHE 114 Ca 0.66 1.23 0.27 0.00 0.12 0.00 0.00 56.93 59.22 1x5h s PHE 114 Cb -0.18 -3.07 1.33 0.00 -0.57 0.00 0.00 43.02 40.53 1x5h s PHE 114 CO 0.58 -0.35 1.43 0.39 -0.10 0.00 0.00 175.22 177.17 1x5h n GLU 115 N 5.76 -0.04 -4.04 0.44 1.02 -1.26 -4.19 120.64 118.33 1x5h n GLU 115 Ca 0.06 1.17 -0.12 0.00 -0.02 0.00 0.00 57.16 58.26 1x5h n GLU 115 Cb 0.48 -2.26 -0.05 0.00 -0.02 0.00 0.00 31.44 29.59 1x5h n GLU 115 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1x5h s SER 116 N -4.36 0.42 0.23 1.62 0.01 -1.26 -4.49 113.70 105.87 1x5h s SER 116 Ca -0.07 -1.25 -0.04 0.00 1.31 0.00 0.00 55.95 55.90 1x5h s SER 116 Cb 0.29 0.62 0.24 0.00 0.21 0.00 0.00 66.02 67.38 1x5h s SER 116 CO 0.74 -1.23 1.68 0.44 0.41 0.00 0.00 173.24 175.28 1x5h h ASP 117 N 2.20 0.80 -1.95 2.44 3.32 -2.02 -3.43 116.42 117.78 1x5h h ASP 117 Ca -0.28 -0.24 -0.60 0.00 0.02 0.00 0.00 57.03 55.93 1x5h h ASP 117 Cb 1.25 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 40.59 1x5h h ASP 117 CO 0.39 0.93 1.33 0.18 -1.72 0.00 0.00 179.24 180.35 1x5h n LEU 118 N -4.16 3.35 -3.52 1.55 4.32 -1.26 -4.92 117.00 112.37 1x5h n LEU 118 Ca 0.01 0.59 -0.00 0.00 -0.02 0.00 0.00 56.01 56.59 1x5h n LEU 118 Cb 0.37 -1.46 -0.05 0.00 -1.62 0.00 0.00 43.42 40.66 1x5h n LEU 118 CO 0.43 -0.33 0.58 -0.62 -1.22 0.00 0.00 177.39 176.23 1x5h s ASP 119 N 6.24 -0.64 0.21 -1.43 2.15 -1.26 -4.99 116.67 116.95 1x5h s ASP 119 Ca 0.97 0.93 -0.11 0.00 0.43 0.00 0.00 52.55 54.77 1x5h s ASP 119 Cb -0.52 1.59 -0.07 0.00 -0.30 0.00 0.00 42.92 43.61 1x5h s ASP 119 CO 0.43 -0.13 0.56 -0.70 -0.17 0.00 0.00 175.17 175.16 1x5h s GLU 120 N 2.13 3.87 -0.04 4.34 2.12 -1.26 -5.09 118.70 124.76 1x5h s GLU 120 Ca -0.05 0.37 0.05 0.00 0.36 0.00 0.00 54.97 55.70 1x5h s GLU 120 Cb -0.06 -2.71 -0.02 0.00 0.26 0.00 0.00 34.13 31.60 1x5h s GLU 120 CO -0.17 0.35 -0.18 -0.08 -0.54 0.00 0.00 175.26 174.64 1x5h s THR 121 N -1.73 2.72 0.35 -1.70 -1.32 -1.26 -5.13 115.64 107.57 1x5h s THR 121 Ca 0.45 -0.85 0.09 0.00 -1.21 0.00 0.00 61.69 60.17 1x5h s THR 121 Cb -0.12 -2.03 -0.06 0.00 -1.51 0.00 0.00 72.50 68.77 1x5h s THR 121 CO 0.20 0.59 -0.05 -0.13 -2.21 0.00 0.00 174.62 173.02 1x5h s ARG 122 N -0.64 1.91 -0.15 7.08 0.52 -1.26 -5.15 118.95 121.26 1x5h s ARG 122 Ca 0.10 -1.91 -0.07 0.00 -0.52 0.00 0.00 55.73 53.33 1x5h s ARG 122 Cb -0.11 -1.76 0.06 0.00 0.52 0.00 0.00 34.95 33.67 1x5h s ARG 122 CO 0.00 0.11 0.34 0.54 0.02 0.00 0.00 175.30 176.31 1x5h s VAL 123 N -2.60 -0.25 0.86 3.52 0.11 -1.26 -5.17 120.40 115.61 1x5h s VAL 123 Ca 0.34 0.17 -0.14 0.00 -2.93 0.00 0.00 61.98 59.41 1x5h s VAL 123 Cb 0.03 -0.53 0.21 0.00 -1.53 0.00 0.00 36.38 34.56 1x5h s VAL 123 CO 0.18 0.07 0.76 -0.81 -3.33 0.00 0.00 175.10 171.97 1x5h n PRO 124 N 4.75 -2.52 -4.48 1.54 -0.04 -1.26 -5.10 135.00 127.89 1x5h n PRO 124 Ca -0.17 -1.22 -0.24 0.00 -0.04 0.00 0.00 63.50 61.83 1x5h n PRO 124 Cb 0.52 -1.15 -0.09 0.00 -0.04 0.00 0.00 33.50 32.75 1x5h n PRO 124 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1x5h s GLU 125 N -4.73 1.84 -0.27 0.54 -1.05 -1.26 -5.17 118.70 108.59 1x5h s GLU 125 Ca 0.50 -2.10 -0.26 0.00 -0.15 0.00 0.00 54.97 52.96 1x5h s GLU 125 Cb -0.05 -0.59 0.16 0.00 -0.44 0.00 0.00 34.13 33.21 1x5h s GLU 125 CO 0.38 -0.43 1.24 0.54 0.95 0.00 0.00 175.26 177.94 1x5h s VAL 126 N -3.28 0.00 0.33 1.83 0.11 -1.26 -5.19 120.40 112.95 1x5h s VAL 126 Ca 0.27 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.35 1x5h s VAL 126 Cb 0.04 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.84 1x5h s VAL 126 CO 0.15 0.00 0.09 -0.44 -3.33 0.00 0.00 175.10 171.57 1x5h s SER 127 N -0.16 2.16 0.00 3.54 0.01 -1.26 -5.13 113.70 112.87 1x5h s SER 127 Ca 0.05 -1.48 0.00 0.00 1.31 0.00 0.00 55.95 55.83 1x5h s SER 127 Cb -0.04 0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.36 1x5h s SER 127 CO -0.09 -0.75 0.00 0.61 0.41 0.00 0.00 173.24 173.42 1x5h n GLY 128 N -0.69 -1.93 0.44 3.44 0.00 -1.26 -5.18 105.19 100.00 1x5h n GLY 128 Ca -0.03 1.02 -0.04 0.00 0.00 0.00 0.00 46.02 46.97 1x5h n GLY 128 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5h n PRO 129 N 0.00 -1.28 -3.27 1.61 -0.04 -1.26 -4.55 135.00 126.21 1x5h n PRO 129 Ca 0.00 -0.22 -0.15 0.00 -0.04 0.00 0.00 63.50 63.09 1x5h n PRO 129 Cb 0.00 -0.20 0.08 0.00 -0.04 0.00 0.00 33.50 33.33 1x5h n PRO 129 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x5h n SER 130 N -3.23 -2.45 -0.01 3.54 7.64 -1.26 -4.92 113.62 112.92 1x5h n SER 130 Ca 0.02 -0.53 -0.12 0.00 1.01 0.00 0.00 58.87 59.25 1x5h n SER 130 Cb 0.07 -4.52 -0.06 0.00 -1.01 0.00 0.00 64.21 58.69 1x5h n SER 130 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1x5h h SER 131 N -1.73 -1.28 0.00 6.43 0.02 -2.07 -3.58 113.55 111.34 1x5h h SER 131 Ca -0.51 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1x5h h SER 131 Cb 1.30 0.53 0.00 0.00 0.14 0.00 0.00 62.40 64.37 1x5h h SER 131 CO 0.44 -0.41 0.00 0.61 -1.14 0.00 0.00 176.83 176.33