#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 2.97 -0.13 1.61 0.15 -1.26 -5.08 113.70 111.96 1x5h s SER 2 Ca 0.00 -3.37 -0.30 0.00 0.70 0.00 0.00 55.95 52.99 1x5h s SER 2 Cb 0.00 -0.96 0.10 0.00 -1.71 0.00 0.00 66.02 63.44 1x5h s SER 2 CO 0.00 -0.14 0.84 -0.55 1.20 0.00 0.00 173.24 174.59 1x5h s SER 3 N -0.55 -0.54 0.00 5.45 0.15 -1.26 -5.16 113.70 111.80 1x5h s SER 3 Ca 0.29 0.67 0.00 0.00 0.70 0.00 0.00 55.95 57.61 1x5h s SER 3 Cb -0.01 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 1x5h s SER 3 CO -0.17 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 174.45 1x5h n GLY 4 N 1.12 4.01 3.13 9.45 0.00 -1.26 -5.08 105.19 116.56 1x5h n GLY 4 Ca -0.15 -1.21 -0.34 0.00 0.00 0.00 0.00 46.02 44.32 1x5h n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5h s SER 5 N 0.00 4.81 -0.02 1.61 0.15 -1.26 -4.96 113.70 114.04 1x5h s SER 5 Ca 0.00 -1.46 -0.05 0.00 0.70 0.00 0.00 55.95 55.14 1x5h s SER 5 Cb 0.00 -1.68 -0.02 0.00 -1.71 0.00 0.00 66.02 62.61 1x5h s SER 5 CO 0.00 -0.28 -0.10 -1.54 1.20 0.00 0.00 173.24 172.51 1x5h n SER 6 N 4.54 0.98 0.00 5.45 3.41 -1.26 -4.98 113.62 121.76 1x5h n SER 6 Ca -0.11 0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1x5h n SER 6 Cb 0.43 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1x5h n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5h n GLY 7 N 2.57 1.59 3.05 5.00 0.00 -1.26 -4.46 105.19 111.70 1x5h n GLY 7 Ca -0.04 0.39 -0.20 0.00 0.00 0.00 0.00 46.02 46.17 1x5h n GLY 7 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1x5h n ASP 8 N 2.55 -3.30 -4.51 1.61 2.03 -1.26 -4.82 116.55 108.85 1x5h n ASP 8 Ca 0.00 -0.52 -0.43 0.00 0.52 0.00 0.00 54.79 54.37 1x5h n ASP 8 Cb 0.00 -0.82 -0.00 0.00 -0.72 0.00 0.00 41.12 39.58 1x5h n ASP 8 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1x5h n VAL 9 N -4.75 1.99 -0.85 5.18 3.14 -1.26 -4.88 118.33 116.90 1x5h n VAL 9 Ca 0.08 -0.50 -0.35 0.00 -2.96 0.00 0.00 64.34 60.61 1x5h n VAL 9 Cb 0.39 -0.72 0.10 0.00 -1.06 0.00 0.00 33.84 32.55 1x5h n VAL 9 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1x5h n ALA 10 N -0.42 -4.26 -2.82 1.55 0.00 -1.26 -4.96 120.51 108.34 1x5h n ALA 10 Ca 0.11 -0.94 -0.37 0.00 0.00 0.00 0.00 53.44 52.24 1x5h n ALA 10 Cb 0.36 -1.39 -0.06 0.00 0.00 0.00 0.00 19.45 18.35 1x5h n ALA 10 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1x5h s VAL 11 N -2.19 5.43 0.37 0.00 1.01 -1.26 -5.11 120.40 118.66 1x5h s VAL 11 Ca 0.49 0.31 0.06 0.00 0.00 0.00 0.00 61.98 62.84 1x5h s VAL 11 Cb -0.12 -3.45 -0.00 0.00 0.00 0.00 0.00 36.38 32.80 1x5h s VAL 11 CO 0.71 0.61 0.52 -0.13 0.00 0.00 0.00 175.10 176.81 1x5h s ARG 12 N -1.01 3.02 -0.33 2.72 3.00 -1.26 -5.00 118.95 120.08 1x5h s ARG 12 Ca 0.16 -1.02 0.02 0.00 0.00 0.00 0.00 55.73 54.89 1x5h s ARG 12 Cb -0.13 -2.77 0.41 0.00 0.00 0.00 0.00 34.95 32.46 1x5h s ARG 12 CO 0.05 -0.08 1.71 2.41 0.00 0.00 0.00 175.30 179.40 1x5h n THR 13 N -1.75 2.62 -3.92 0.02 -1.04 -1.26 -4.85 114.28 104.09 1x5h n THR 13 Ca 0.02 -1.48 -0.35 0.00 -2.04 0.00 0.00 64.05 60.20 1x5h n THR 13 Cb 0.58 -0.80 -0.14 0.00 -1.82 0.00 0.00 70.33 68.15 1x5h n THR 13 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1x5h s LEU 14 N -2.27 3.01 -0.12 -4.42 2.96 -1.26 -5.10 118.68 111.48 1x5h s LEU 14 Ca 0.39 -0.59 -0.03 0.00 -0.22 0.00 0.00 54.13 53.68 1x5h s LEU 14 Cb 0.32 -1.71 -0.03 0.00 0.50 0.00 0.00 46.19 45.27 1x5h s LEU 14 CO 0.05 -0.07 -0.01 -0.94 -1.32 0.00 0.00 176.35 174.07 1x5h s SER 15 N 1.42 5.09 0.18 3.68 1.04 -1.26 -5.02 113.70 118.83 1x5h s SER 15 Ca 0.04 0.03 -0.27 0.00 0.48 0.00 0.00 55.95 56.22 1x5h s SER 15 Cb -0.15 -1.61 0.01 0.00 0.10 0.00 0.00 66.02 64.37 1x5h s SER 15 CO -0.04 0.28 1.54 0.47 0.98 0.00 0.00 173.24 176.47 1x5h n ASP 16 N 2.79 -0.95 -4.40 7.02 8.00 -1.26 -4.53 116.55 123.23 1x5h n ASP 16 Ca -0.18 1.77 -0.38 0.00 0.71 0.00 0.00 54.79 56.71 1x5h n ASP 16 Cb 0.53 -0.27 0.04 0.00 -0.02 0.00 0.00 41.12 41.39 1x5h n ASP 16 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1x5h n VAL 17 N -5.31 1.53 -1.93 2.53 0.24 -1.26 -4.92 118.33 109.21 1x5h n VAL 17 Ca 0.04 -0.47 -0.34 0.00 -2.04 0.00 0.00 64.34 61.53 1x5h n VAL 17 Cb 0.30 -0.51 0.03 0.00 -1.47 0.00 0.00 33.84 32.19 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 -2.02 2.99 -0.22 7.34 0.04 -1.25 -4.99 135.00 136.89 1x5h s PRO 18 Ca 0.64 1.46 0.14 0.00 0.04 0.00 0.00 61.00 63.28 1x5h s PRO 18 Cb -0.42 -1.97 0.46 0.00 0.04 0.00 0.00 34.50 32.61 1x5h s PRO 18 CO 0.59 -1.11 1.18 0.45 0.04 0.00 0.00 177.00 178.15 1x5h n SER 19 N -2.04 2.77 -4.31 6.66 2.88 -1.26 -3.99 113.62 114.33 1x5h n SER 19 Ca 0.11 -3.16 -0.34 0.00 -1.33 0.00 0.00 58.87 54.15 1x5h n SER 19 Cb 0.52 -0.41 -0.14 0.00 -0.75 0.00 0.00 64.21 63.42 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 -3.01 2.64 0.07 -1.46 0.00 -1.26 -4.88 121.76 113.85 1x5h s ALA 20 Ca 0.40 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 51.33 1x5h s ALA 20 Cb 0.38 -1.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.08 1x5h s ALA 20 CO -0.04 -0.08 0.15 0.00 0.00 0.00 0.00 175.76 175.79 1x5h s ALA 21 N 0.89 3.80 0.22 0.00 0.00 -1.26 -4.40 121.76 121.01 1x5h s ALA 21 Ca -0.03 -0.92 -0.30 0.00 0.00 0.00 0.00 51.96 50.72 1x5h s ALA 21 Cb -0.15 -1.64 -0.09 0.00 0.00 0.00 0.00 23.12 21.24 1x5h s ALA 21 CO -0.00 0.79 1.29 -1.25 0.00 0.00 0.00 175.76 176.59 1x5h s PRO 22 N -2.42 4.41 0.52 0.00 0.04 -1.26 -4.40 135.00 131.88 1x5h s PRO 22 Ca 0.32 2.05 0.08 0.00 0.04 0.00 0.00 61.00 63.49 1x5h s PRO 22 Cb -0.13 -3.18 0.05 0.00 0.04 0.00 0.00 34.50 31.28 1x5h s PRO 22 CO 0.25 -0.21 0.63 1.14 0.04 0.00 0.00 177.00 178.85 1x5h s GLN 23 N -0.42 2.44 -1.34 4.56 -2.07 -0.93 -4.63 119.66 117.26 1x5h s GLN 23 Ca 0.55 -1.61 -0.07 0.00 -1.82 0.00 0.00 55.36 52.41 1x5h s GLN 23 Cb -0.36 -2.55 0.02 0.00 -1.09 0.00 0.00 33.01 29.02 1x5h s GLN 23 CO 0.40 -0.61 1.08 0.09 -1.32 0.00 0.00 175.29 174.94 1x5h n ASN 24 N -1.99 -4.75 -4.78 12.60 3.02 -1.26 -1.32 115.26 116.78 1x5h n ASN 24 Ca 0.10 -0.61 -0.37 0.00 -0.03 0.00 0.00 54.58 53.67 1x5h n ASN 24 Cb 0.61 -4.86 -0.03 0.00 -0.61 0.00 0.00 39.78 34.90 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 -7.03 4.08 0.09 3.41 2.96 -1.26 -4.27 118.68 116.66 1x5h s LEU 25 Ca 0.41 2.13 -0.26 0.00 -0.22 0.00 0.00 54.13 56.20 1x5h s LEU 25 Cb -0.19 -4.22 0.08 0.00 0.50 0.00 0.00 46.19 42.36 1x5h s LEU 25 CO 0.75 -0.67 0.79 -0.44 -1.32 0.00 0.00 176.35 175.47 1x5h s SER 26 N -1.51 -0.39 -0.26 3.68 0.01 0.67 -4.98 113.70 110.92 1x5h s SER 26 Ca 0.60 -0.11 -0.02 0.00 1.31 0.00 0.00 55.95 57.73 1x5h s SER 26 Cb -0.24 0.50 0.09 0.00 0.21 0.00 0.00 66.02 66.57 1x5h s SER 26 CO 0.30 -0.83 0.08 -0.76 0.41 0.00 0.00 173.24 172.44 1x5h s LEU 27 N -2.67 1.43 -0.89 2.44 1.43 -1.26 -0.30 118.68 118.86 1x5h s LEU 27 Ca 0.05 -1.26 -0.22 0.00 -1.03 0.00 0.00 54.13 51.68 1x5h s LEU 27 Cb -0.01 -0.64 0.08 0.00 0.03 0.00 0.00 46.19 45.65 1x5h s LEU 27 CO -0.07 -0.38 1.24 -0.70 0.23 0.00 0.00 176.35 176.66 1x5h s GLU 28 N 1.83 3.46 -0.69 1.70 2.56 0.13 -4.87 118.70 122.81 1x5h s GLU 28 Ca 0.06 -1.16 -0.25 0.00 0.00 0.00 0.00 54.97 53.61 1x5h s GLU 28 Cb -0.17 -4.86 -0.12 0.00 2.00 0.00 0.00 34.13 30.98 1x5h s GLU 28 CO -0.22 -1.99 2.42 0.28 -0.56 0.00 0.00 175.26 175.19 1x5h n VAL 29 N 6.20 -0.04 -0.09 3.70 0.31 -1.26 -2.01 118.33 125.14 1x5h n VAL 29 Ca 0.20 -0.61 -0.14 0.00 -0.01 0.00 0.00 64.34 63.78 1x5h n VAL 29 Cb 0.49 -2.19 -0.04 0.00 -0.91 0.00 0.00 33.84 31.19 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 15.44 0.73 -3.91 5.55 2.47 -1.88 -3.47 114.38 129.32 1x5h h ARG 30 Ca -0.10 -0.41 -0.10 0.00 -1.26 0.00 0.00 59.98 58.12 1x5h h ARG 30 Cb 1.13 0.03 -0.14 0.00 -1.65 0.00 0.00 29.97 29.33 1x5h h ARG 30 CO 1.11 1.03 -0.40 -0.80 0.56 0.00 0.00 179.97 181.46 1x5h s ASN 31 N -6.63 0.15 0.28 7.04 0.01 -0.17 -4.96 114.94 110.65 1x5h s ASN 31 Ca -0.12 -0.78 0.20 0.00 -0.71 0.00 0.00 52.86 51.45 1x5h s ASN 31 Cb 0.09 0.35 1.03 0.00 0.41 0.00 0.00 41.25 43.13 1x5h s ASN 31 CO 0.84 -0.76 1.62 -1.20 -1.51 0.00 0.00 177.10 176.09 1x5h n SER 32 N -0.09 0.54 -0.00 -1.22 7.64 -1.26 -1.44 113.62 117.79 1x5h n SER 32 Ca -0.12 0.72 0.02 0.00 1.01 0.00 0.00 58.87 60.50 1x5h n SER 32 Cb 0.63 -0.80 -0.03 0.00 -1.01 0.00 0.00 64.21 63.00 1x5h n SER 32 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1x5h n LYS 33 N -2.19 4.65 -4.83 1.43 -0.00 -1.26 -3.32 118.16 112.64 1x5h n LYS 33 Ca -0.00 -0.01 -0.25 0.00 -0.00 0.00 0.00 58.31 58.05 1x5h n LYS 33 Cb 0.08 -0.78 -0.16 0.00 -0.00 0.00 0.00 35.03 34.18 1x5h n LYS 33 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1x5h s SER 34 N -1.61 2.07 -0.14 -5.58 1.04 -0.52 0.12 113.70 109.08 1x5h s SER 34 Ca 0.01 -0.33 -0.02 0.00 0.48 0.00 0.00 55.95 56.10 1x5h s SER 34 Cb 0.04 -0.33 0.04 0.00 0.10 0.00 0.00 66.02 65.87 1x5h s SER 34 CO 0.20 0.20 0.01 -0.63 0.98 0.00 0.00 173.24 173.99 1x5h s ILE 35 N -0.28 0.55 0.22 -1.02 1.01 0.72 -1.00 121.20 121.40 1x5h s ILE 35 Ca 0.04 -0.30 -0.24 0.00 0.00 0.00 0.00 60.65 60.14 1x5h s ILE 35 Cb -0.08 -0.88 -0.08 0.00 0.01 0.00 0.00 42.46 41.43 1x5h s ILE 35 CO 0.00 0.02 0.80 -0.32 0.00 0.00 0.00 174.94 175.45 1x5h s MET 36 N 1.87 4.49 -0.08 2.79 -2.45 -0.85 -1.71 119.30 123.35 1x5h s MET 36 Ca 0.02 1.12 0.01 0.00 -1.25 0.00 0.00 55.69 55.58 1x5h s MET 36 Cb -0.15 -3.05 -0.03 0.00 1.25 0.00 0.00 34.83 32.85 1x5h s MET 36 CO -0.07 0.46 -0.09 0.42 1.05 0.00 0.00 175.02 176.78 1x5h s ILE 37 N -1.36 3.45 -0.14 10.11 1.01 0.77 0.18 121.20 135.22 1x5h s ILE 37 Ca 0.41 -0.56 -0.00 0.00 0.00 0.00 0.00 60.65 60.50 1x5h s ILE 37 Cb -0.20 -2.41 0.03 0.00 0.01 0.00 0.00 42.46 39.89 1x5h s ILE 37 CO 0.24 0.57 -0.06 -1.00 0.00 0.00 0.00 174.94 174.69 1x5h s HIS 38 N -0.47 1.61 0.21 3.97 3.76 0.59 -2.31 115.29 122.65 1x5h s HIS 38 Ca 0.06 -0.93 0.01 0.00 -0.15 0.00 0.00 55.06 54.06 1x5h s HIS 38 Cb -0.12 -1.28 -0.05 0.00 1.11 0.00 0.00 32.58 32.24 1x5h s HIS 38 CO 0.02 -0.57 0.05 1.67 -0.85 0.00 0.00 174.74 175.06 1x5h s TRP 39 N 1.67 1.36 0.11 1.40 -2.14 -1.12 -0.24 118.94 119.97 1x5h s TRP 39 Ca 0.03 -1.11 0.08 0.00 2.66 0.00 0.00 56.10 57.75 1x5h s TRP 39 Cb -0.14 -0.78 -0.04 0.00 -3.10 0.00 0.00 33.47 29.42 1x5h s TRP 39 CO -0.08 -0.29 -0.19 -0.65 -2.66 0.00 0.00 176.95 173.07 1x5h s GLN 40 N -3.98 1.12 0.40 3.25 -1.52 -0.43 -4.78 119.66 113.71 1x5h s GLN 40 Ca 0.31 -1.20 -0.25 0.00 -1.95 0.00 0.00 55.36 52.27 1x5h s GLN 40 Cb 0.07 -1.29 -0.08 0.00 -0.22 0.00 0.00 33.01 31.49 1x5h s GLN 40 CO 0.09 0.29 1.19 -1.25 -0.25 0.00 0.00 175.29 175.36 1x5h s PRO 41 N -2.14 4.05 1.04 2.91 0.04 -1.26 -2.19 135.00 137.45 1x5h s PRO 41 Ca 0.08 1.89 -0.13 0.00 0.04 0.00 0.00 61.00 62.88 1x5h s PRO 41 Cb -0.09 -2.70 0.21 0.00 0.04 0.00 0.00 34.50 31.96 1x5h s PRO 41 CO 0.04 -0.34 1.10 -1.25 0.04 0.00 0.00 177.00 176.59 1x5h s PRO 42 N -2.27 0.09 0.69 0.56 0.04 -1.26 -4.64 135.00 128.21 1x5h s PRO 42 Ca 0.57 0.40 -0.16 0.00 0.04 0.00 0.00 61.00 61.85 1x5h s PRO 42 Cb -0.32 -1.71 -0.00 0.00 0.04 0.00 0.00 34.50 32.51 1x5h s PRO 42 CO 0.40 -2.93 1.00 0.00 0.04 0.00 0.00 177.00 175.51 1x5h n ALA 43 N -4.30 -0.02 -0.12 8.56 0.00 -1.26 -4.89 120.51 118.48 1x5h n ALA 43 Ca 0.06 -0.14 -0.13 0.00 0.00 0.00 0.00 53.44 53.23 1x5h n ALA 43 Cb 0.58 -2.14 -0.02 0.00 0.00 0.00 0.00 19.45 17.87 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 -0.05 0.94 -0.34 0.00 0.13 -1.94 -2.84 132.00 127.90 1x5h h PRO 44 Ca -0.48 -0.50 0.05 0.00 -0.87 0.00 0.00 66.00 64.20 1x5h h PRO 44 Cb 1.34 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.45 1x5h h PRO 44 CO 0.48 1.15 0.09 0.00 -0.23 0.00 0.00 178.00 179.50 1x5h h ALA 45 N 0.77 0.38 0.48 -0.56 0.00 -2.03 -2.99 119.26 115.32 1x5h h ALA 45 Ca 0.06 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1x5h h ALA 45 Cb 0.98 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1x5h h ALA 45 CO 0.10 -0.31 -0.23 1.79 0.00 0.00 0.00 179.25 180.60 1x5h h THR 46 N 0.22 0.52 -0.76 0.00 1.35 -1.94 -3.44 112.91 108.85 1x5h h THR 46 Ca 0.16 -0.16 -0.56 0.00 -0.55 0.00 0.00 66.41 65.29 1x5h h THR 46 Cb 0.16 0.59 0.06 0.00 -1.73 0.00 0.00 68.15 67.23 1x5h h THR 46 CO -0.19 0.03 -0.16 0.00 -0.25 0.00 0.00 175.52 174.95 1x5h n GLN 47 N -5.33 0.00 -1.29 4.72 6.02 -1.07 -4.81 117.38 115.62 1x5h n GLN 47 Ca -0.11 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.68 1x5h n GLN 47 Cb 0.29 -0.98 0.12 0.00 1.02 0.00 0.00 30.24 30.70 1x5h n GLN 47 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1x5h n ASN 48 N 1.32 4.52 0.00 1.08 3.02 -1.26 -5.00 115.26 118.94 1x5h n ASN 48 Ca 0.15 -3.76 0.00 0.00 -0.03 0.00 0.00 54.58 50.93 1x5h n ASN 48 Cb 0.12 -0.67 0.00 0.00 -0.61 0.00 0.00 39.78 38.62 1x5h n ASN 48 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x5h n GLY 49 N -0.98 -0.11 3.24 7.41 0.00 -1.26 -4.90 105.19 108.59 1x5h n GLY 49 Ca 0.47 -0.75 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 1x5h n GLY 49 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1x5h s GLN 50 N -1.91 2.57 0.19 1.61 0.74 -1.26 -5.12 119.66 116.48 1x5h s GLN 50 Ca 0.00 -0.87 -0.30 0.00 0.05 0.00 0.00 55.36 54.24 1x5h s GLN 50 Cb 0.00 -2.12 -0.08 0.00 1.10 0.00 0.00 33.01 31.91 1x5h s GLN 50 CO 0.00 0.33 1.01 0.42 -0.55 0.00 0.00 175.29 176.50 1x5h s ILE 51 N -0.04 4.07 -0.10 -2.34 1.01 -1.26 -4.15 121.20 118.38 1x5h s ILE 51 Ca -0.07 1.88 0.10 0.00 0.00 0.00 0.00 60.65 62.57 1x5h s ILE 51 Cb -0.14 -4.20 -0.14 0.00 0.01 0.00 0.00 42.46 37.99 1x5h s ILE 51 CO 0.05 0.37 0.05 0.35 0.00 0.00 0.00 174.94 175.75 1x5h n THR 52 N 2.09 0.72 -3.61 2.92 -2.24 0.13 -4.77 114.28 109.51 1x5h n THR 52 Ca 0.01 -0.46 -0.03 0.00 -2.27 0.00 0.00 64.05 61.30 1x5h n THR 52 Cb 0.47 -0.65 -0.02 0.00 -2.10 0.00 0.00 70.33 68.03 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 -4.31 -0.28 -0.08 3.38 0.00 -1.19 -0.82 107.32 104.02 1x5h s GLY 53 Ca -0.05 1.59 -0.00 0.00 0.00 0.00 0.00 44.72 46.25 1x5h s GLY 53 CO 0.46 0.52 -0.05 -0.19 0.00 0.00 0.00 173.10 173.84 1x5h s TYR 54 N -2.29 3.00 -0.60 1.90 2.02 -1.25 -0.13 117.35 120.00 1x5h s TYR 54 Ca 0.11 0.01 -0.18 0.00 -0.37 0.00 0.00 57.07 56.64 1x5h s TYR 54 Cb -0.00 -1.77 0.11 0.00 -0.40 0.00 0.00 41.96 39.91 1x5h s TYR 54 CO -0.04 0.31 0.67 0.21 -1.57 0.00 0.00 175.55 175.13 1x5h s LYS 55 N -0.65 3.06 -0.37 -0.62 2.20 0.12 -2.68 119.74 120.80 1x5h s LYS 55 Ca 0.10 -1.46 -0.19 0.00 -0.36 0.00 0.00 55.97 54.06 1x5h s LYS 55 Cb -0.12 -4.30 0.00 0.00 -1.51 0.00 0.00 37.83 31.91 1x5h s LYS 55 CO 0.02 -1.49 0.55 0.42 -0.36 0.00 0.00 175.35 174.49 1x5h s ILE 56 N 2.35 4.97 -0.07 5.43 1.01 0.19 -2.52 121.20 132.55 1x5h s ILE 56 Ca 0.10 0.29 0.05 0.00 0.00 0.00 0.00 60.65 61.09 1x5h s ILE 56 Cb -0.25 -4.03 -0.01 0.00 0.01 0.00 0.00 42.46 38.18 1x5h s ILE 56 CO 0.05 -0.31 -0.22 -0.13 0.00 0.00 0.00 174.94 174.32 1x5h s ARG 57 N 2.50 2.76 0.04 2.79 0.52 -0.32 0.08 118.95 127.32 1x5h s ARG 57 Ca 0.20 -0.85 0.04 0.00 -0.52 0.00 0.00 55.73 54.59 1x5h s ARG 57 Cb -0.15 -2.27 -0.02 0.00 0.52 0.00 0.00 34.95 33.03 1x5h s ARG 57 CO 0.15 0.34 -0.11 1.52 0.02 0.00 0.00 175.30 177.22 1x5h s TYR 58 N -0.04 0.96 0.30 -0.53 1.13 -1.05 0.42 117.35 118.53 1x5h s TYR 58 Ca -0.06 -0.37 0.03 0.00 -1.41 0.00 0.00 57.07 55.26 1x5h s TYR 58 Cb -0.15 -0.57 -0.04 0.00 -1.10 0.00 0.00 41.96 40.11 1x5h s TYR 58 CO 0.05 -0.00 0.16 -0.98 -2.51 0.00 0.00 175.55 172.26 1x5h s ARG 59 N -1.17 1.58 -0.05 -3.49 1.70 -0.61 -0.99 118.95 115.92 1x5h s ARG 59 Ca -0.02 -1.90 -0.16 0.00 -0.47 0.00 0.00 55.73 53.18 1x5h s ARG 59 Cb -0.08 -0.09 -0.05 0.00 -0.57 0.00 0.00 34.95 34.16 1x5h s ARG 59 CO 0.01 -0.45 0.41 0.15 -1.08 0.00 0.00 175.30 174.34 1x5h s LYS 60 N -3.82 4.07 0.15 3.89 1.02 -0.95 -1.52 119.74 122.58 1x5h s LYS 60 Ca 0.36 0.39 -0.17 0.00 0.02 0.00 0.00 55.97 56.56 1x5h s LYS 60 Cb 0.05 -3.30 0.03 0.00 -0.52 0.00 0.00 37.83 34.09 1x5h s LYS 60 CO 0.17 0.50 1.75 0.00 -0.92 0.00 0.00 175.35 176.85 1x5h h ALA 61 N 5.46 0.35 -0.23 5.17 0.00 -1.89 0.39 119.26 128.51 1x5h h ALA 61 Ca -0.48 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.38 1x5h h ALA 61 Cb 1.20 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1x5h h ALA 61 CO 0.67 -0.29 -0.19 0.77 0.00 0.00 0.00 179.25 180.20 1x5h h SER 62 N 0.24 0.56 -2.25 0.00 0.02 -1.94 -3.34 113.55 106.84 1x5h h SER 62 Ca 0.14 -0.46 -0.61 0.00 -0.84 0.00 0.00 61.79 60.02 1x5h h SER 62 Cb 0.11 -0.16 -0.41 0.00 0.14 0.00 0.00 62.40 62.08 1x5h h SER 62 CO -0.14 0.91 -0.50 -1.14 -1.14 0.00 0.00 176.83 174.82 1x5h n ARG 63 N -4.42 2.79 -0.32 3.45 3.00 -1.08 -4.91 116.66 115.16 1x5h n ARG 63 Ca -0.05 -4.70 0.18 0.00 -0.00 0.00 0.00 57.85 53.29 1x5h n ARG 63 Cb 0.40 -2.27 0.38 0.00 0.00 0.00 0.00 32.46 30.97 1x5h n ARG 63 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1x5h h LYS 64 N 4.08 0.27 -1.23 -0.14 1.57 -0.37 0.42 116.57 121.17 1x5h h LYS 64 Ca 0.19 -0.02 0.38 0.00 -1.87 0.00 0.00 60.65 59.33 1x5h h LYS 64 Cb 0.63 -0.06 -0.11 0.00 0.08 0.00 0.00 32.23 32.77 1x5h h LYS 64 CO 0.87 0.18 0.79 1.03 -0.57 0.00 0.00 179.45 181.75 1x5h h SER 65 N 0.28 0.30 -1.94 0.86 0.87 -1.91 -3.32 113.55 108.69 1x5h h SER 65 Ca 0.65 0.11 -0.53 0.00 -1.23 0.00 0.00 61.79 60.79 1x5h h SER 65 Cb 1.39 0.08 -0.07 0.00 -0.44 0.00 0.00 62.40 63.36 1x5h h SER 65 CO -0.63 -0.09 1.18 -0.62 -0.53 0.00 0.00 176.83 176.14 1x5h s ASP 66 N -4.76 6.00 0.00 6.23 2.15 0.15 -4.97 116.67 121.47 1x5h s ASP 66 Ca -0.08 -0.52 0.05 0.00 0.43 0.00 0.00 52.55 52.43 1x5h s ASP 66 Cb 0.28 -2.56 -0.01 0.00 -0.30 0.00 0.00 42.92 40.33 1x5h s ASP 66 CO 0.81 -1.93 -0.14 0.54 -0.17 0.00 0.00 175.17 174.28 1x5h s VAL 67 N 6.47 1.14 0.02 1.11 0.11 -1.25 -2.23 120.40 125.78 1x5h s VAL 67 Ca 0.45 -0.71 0.08 0.00 -2.93 0.00 0.00 61.98 58.87 1x5h s VAL 67 Cb -0.07 -0.97 -0.03 0.00 -1.53 0.00 0.00 36.38 33.78 1x5h s VAL 67 CO 0.10 0.25 -0.23 -0.89 -3.33 0.00 0.00 175.10 170.99 1x5h s THR 68 N -0.46 2.33 0.10 5.04 2.01 -0.16 -4.97 115.64 119.54 1x5h s THR 68 Ca 0.05 -1.21 -0.16 0.00 0.31 0.00 0.00 61.69 60.67 1x5h s THR 68 Cb -0.06 -1.90 -0.07 0.00 0.01 0.00 0.00 72.50 70.48 1x5h s THR 68 CO -0.00 0.44 0.55 -0.70 -0.69 0.00 0.00 174.62 174.22 1x5h s GLU 69 N -1.06 4.07 -0.23 4.92 -6.30 -1.26 -2.54 118.70 116.30 1x5h s GLU 69 Ca 0.12 0.59 -0.03 0.00 -2.50 0.00 0.00 54.97 53.15 1x5h s GLU 69 Cb -0.10 -3.08 0.11 0.00 0.00 0.00 0.00 34.13 31.06 1x5h s GLU 69 CO 0.02 0.56 0.26 0.99 0.02 0.00 0.00 175.26 177.11 1x5h s THR 70 N -1.29 -0.39 0.37 -1.70 2.01 0.11 -4.99 115.64 109.77 1x5h s THR 70 Ca 0.33 -0.19 0.03 0.00 0.31 0.00 0.00 61.69 62.17 1x5h s THR 70 Cb -0.17 -0.77 -0.01 0.00 0.01 0.00 0.00 72.50 71.56 1x5h s THR 70 CO 0.19 -0.25 0.55 -0.76 -0.69 0.00 0.00 174.62 173.65 1x5h s LEU 71 N 2.37 3.90 0.00 4.42 1.43 -1.26 0.54 118.68 130.08 1x5h s LEU 71 Ca 0.08 0.15 0.01 0.00 -1.03 0.00 0.00 54.13 53.34 1x5h s LEU 71 Cb -0.15 -3.03 -0.00 0.00 0.03 0.00 0.00 46.19 43.03 1x5h s LEU 71 CO -0.17 -0.46 0.25 1.33 0.23 0.00 0.00 176.35 177.53 1x5h n VAL 72 N -1.81 0.00 -2.67 -1.59 0.24 -1.09 -4.93 118.33 106.48 1x5h n VAL 72 Ca -0.02 -1.14 -0.33 0.00 -2.04 0.00 0.00 64.34 60.81 1x5h n VAL 72 Cb 0.57 0.66 -0.05 0.00 -1.47 0.00 0.00 33.84 33.55 1x5h n VAL 72 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1x5h s SER 73 N -2.29 6.79 0.46 -1.34 0.01 -1.26 -3.94 113.70 112.12 1x5h s SER 73 Ca 0.19 1.60 0.16 0.00 1.31 0.00 0.00 55.95 59.20 1x5h s SER 73 Cb -0.00 -2.51 1.06 0.00 0.21 0.00 0.00 66.02 64.78 1x5h s SER 73 CO 0.13 -0.44 2.01 1.23 0.41 0.00 0.00 173.24 176.58 1x5h h GLY 74 N 1.51 0.00 0.19 3.44 0.00 -1.28 -1.69 103.07 105.25 1x5h h GLY 74 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1x5h h GLY 74 CO 0.62 0.00 -0.36 -0.37 0.00 0.00 0.00 176.54 176.43 1x5h n THR 75 N -4.24 0.00 -3.04 4.70 5.66 -1.26 -4.77 114.28 111.33 1x5h n THR 75 Ca -0.02 -0.12 -0.42 0.00 -3.05 0.00 0.00 64.05 60.44 1x5h n THR 75 Cb 0.24 0.51 -0.06 0.00 -1.55 0.00 0.00 70.33 69.47 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 -2.60 3.83 -0.26 1.09 0.74 -0.63 -4.92 119.66 116.91 1x5h s GLN 76 Ca 0.21 0.32 0.13 0.00 0.05 0.00 0.00 55.36 56.07 1x5h s GLN 76 Cb 0.19 -3.76 0.76 0.00 1.10 0.00 0.00 33.01 31.29 1x5h s GLN 76 CO 0.57 -0.70 1.73 1.28 -0.55 0.00 0.00 175.29 177.62 1x5h n LEU 77 N 6.12 5.63 -3.82 3.68 4.77 -1.26 -4.67 117.00 127.45 1x5h n LEU 77 Ca 0.01 -3.06 -0.09 0.00 -0.03 0.00 0.00 56.01 52.83 1x5h n LEU 77 Cb 0.48 -0.69 -0.06 0.00 -2.33 0.00 0.00 43.42 40.82 1x5h n LEU 77 CO 0.49 0.71 0.01 -0.94 -1.33 0.00 0.00 177.39 176.33 1x5h s SER 78 N -1.05 -0.01 -0.29 -1.43 1.04 -1.26 -2.81 113.70 107.90 1x5h s SER 78 Ca 0.53 -0.61 -0.13 0.00 0.48 0.00 0.00 55.95 56.22 1x5h s SER 78 Cb 0.42 0.41 0.11 0.00 0.10 0.00 0.00 66.02 67.06 1x5h s SER 78 CO 0.14 -0.82 0.70 -1.58 0.98 0.00 0.00 173.24 172.66 1x5h s GLN 79 N -3.87 0.61 -0.40 4.02 2.00 -0.98 -4.95 119.66 116.09 1x5h s GLN 79 Ca 0.08 1.28 -0.16 0.00 -2.00 0.00 0.00 55.36 54.56 1x5h s GLN 79 Cb 0.03 0.48 0.02 0.00 0.80 0.00 0.00 33.01 34.34 1x5h s GLN 79 CO -0.08 -0.17 0.36 -1.17 -0.50 0.00 0.00 175.29 173.74 1x5h s LEU 80 N 2.23 4.90 -0.44 3.68 2.96 -1.26 -0.16 118.68 130.59 1x5h s LEU 80 Ca -0.08 -0.71 -0.18 0.00 -0.22 0.00 0.00 54.13 52.94 1x5h s LEU 80 Cb -0.08 -2.28 0.03 0.00 0.50 0.00 0.00 46.19 44.36 1x5h s LEU 80 CO -0.19 -0.49 0.49 -0.63 -1.32 0.00 0.00 176.35 174.21 1x5h s ILE 81 N 1.92 5.03 0.23 6.68 -1.09 -0.70 -4.93 121.20 128.34 1x5h s ILE 81 Ca 0.09 -0.38 0.06 0.00 -2.23 0.00 0.00 60.65 58.19 1x5h s ILE 81 Cb -0.18 -4.11 -0.03 0.00 -1.58 0.00 0.00 42.46 36.56 1x5h s ILE 81 CO 0.12 -0.52 0.24 -1.61 -1.23 0.00 0.00 174.94 171.94 1x5h s GLU 82 N 2.26 3.10 0.00 2.79 8.01 -1.26 -0.20 118.70 133.40 1x5h s GLU 82 Ca 0.13 -0.91 0.00 0.00 0.01 0.00 0.00 54.97 54.20 1x5h s GLU 82 Cb -0.18 -2.70 0.00 0.00 -4.31 0.00 0.00 34.13 26.95 1x5h s GLU 82 CO 0.13 0.43 0.00 0.41 0.01 0.00 0.00 175.26 176.24 1x5h n GLY 83 N -1.08 0.57 3.64 -1.39 0.00 -0.17 -4.95 105.19 101.81 1x5h n GLY 83 Ca -0.08 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.15 2.69 0.05 0.99 1.43 0.32 -5.01 118.68 118.99 1x5h s LEU 84 Ca 0.00 -1.44 0.03 0.00 -1.03 0.00 0.00 54.13 51.70 1x5h s LEU 84 Cb 0.00 -0.81 -0.04 0.00 0.03 0.00 0.00 46.19 45.37 1x5h s LEU 84 CO 0.00 -0.56 0.00 -1.81 0.23 0.00 0.00 176.35 174.22 1x5h s ASP 85 N -3.73 5.08 0.75 2.29 1.11 -1.26 -4.23 116.67 116.68 1x5h s ASP 85 Ca 0.29 -0.10 -0.11 0.00 0.18 0.00 0.00 52.55 52.80 1x5h s ASP 85 Cb 0.08 -1.26 0.04 0.00 1.07 0.00 0.00 42.92 42.85 1x5h s ASP 85 CO 0.14 0.22 1.09 0.00 1.18 0.00 0.00 175.17 177.80 1x5h s ARG 86 N -2.01 2.44 -1.30 8.23 1.70 -1.21 -3.91 118.95 122.90 1x5h s ARG 86 Ca 0.23 1.14 -0.16 0.00 -0.47 0.00 0.00 55.73 56.47 1x5h s ARG 86 Cb -0.12 -1.92 0.01 0.00 -0.57 0.00 0.00 34.95 32.35 1x5h s ARG 86 CO 0.15 -1.50 0.54 0.41 -1.08 0.00 0.00 175.30 173.82 1x5h n GLY 87 N -1.34 -0.60 3.22 3.88 0.00 -1.25 -4.96 105.19 104.14 1x5h n GLY 87 Ca 0.09 0.29 -0.09 0.00 0.00 0.00 0.00 46.02 46.32 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 -3.77 -0.64 0.23 2.61 2.01 -1.25 -4.98 115.64 109.86 1x5h s THR 88 Ca 0.27 0.14 -0.30 0.00 0.31 0.00 0.00 61.69 62.11 1x5h s THR 88 Cb -0.12 -0.68 -0.10 0.00 0.01 0.00 0.00 72.50 71.61 1x5h s THR 88 CO 0.92 0.05 1.38 -0.70 -0.69 0.00 0.00 174.62 175.58 1x5h s GLU 89 N 2.60 4.32 0.06 4.92 2.12 -1.26 -3.76 118.70 127.70 1x5h s GLU 89 Ca 0.00 2.20 0.05 0.00 0.36 0.00 0.00 54.97 57.58 1x5h s GLU 89 Cb -0.12 -3.14 -0.03 0.00 0.26 0.00 0.00 34.13 31.10 1x5h s GLU 89 CO -0.13 -0.34 -0.14 0.71 -0.54 0.00 0.00 175.26 174.82 1x5h s TYR 90 N -0.02 1.20 0.11 5.30 2.02 0.07 -2.89 117.35 123.14 1x5h s TYR 90 Ca 0.58 -0.43 0.07 0.00 -0.37 0.00 0.00 57.07 56.91 1x5h s TYR 90 Cb -0.40 -0.68 -0.04 0.00 -0.40 0.00 0.00 41.96 40.44 1x5h s TYR 90 CO 0.42 0.05 -0.08 -0.80 -1.57 0.00 0.00 175.55 173.57 1x5h s ASN 91 N -1.59 4.52 0.01 2.29 0.02 -0.57 -0.16 114.94 119.47 1x5h s ASN 91 Ca -0.01 -0.36 -0.06 0.00 -1.02 0.00 0.00 52.86 51.41 1x5h s ASN 91 Cb -0.09 -0.91 -0.00 0.00 0.02 0.00 0.00 41.25 40.27 1x5h s ASN 91 CO 0.02 0.17 0.11 -0.36 0.02 0.00 0.00 177.10 177.06 1x5h s PHE 92 N -1.27 0.09 -0.04 2.20 0.40 -0.86 -1.58 117.98 116.91 1x5h s PHE 92 Ca 0.23 -0.24 -0.02 0.00 -0.60 0.00 0.00 56.93 56.30 1x5h s PHE 92 Cb -0.11 -0.08 0.03 0.00 0.51 0.00 0.00 43.02 43.38 1x5h s PHE 92 CO 0.15 -0.29 0.09 -0.98 0.70 0.00 0.00 175.22 174.89 1x5h s ARG 93 N -1.59 0.02 -0.17 0.44 1.70 0.17 -2.91 118.95 116.61 1x5h s ARG 93 Ca -0.13 0.30 -0.04 0.00 -0.47 0.00 0.00 55.73 55.39 1x5h s ARG 93 Cb -0.07 -0.23 -0.02 0.00 -0.57 0.00 0.00 34.95 34.05 1x5h s ARG 93 CO 0.00 -0.18 -0.04 0.08 -1.08 0.00 0.00 175.30 174.09 1x5h s VAL 94 N 1.23 3.79 0.04 4.99 1.01 -1.26 -1.17 120.40 129.04 1x5h s VAL 94 Ca -0.08 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 61.56 1x5h s VAL 94 Cb -0.12 -2.68 -0.02 0.00 0.00 0.00 0.00 36.38 33.56 1x5h s VAL 94 CO -0.04 0.47 -0.11 0.00 0.00 0.00 0.00 175.10 175.41 1x5h s ALA 95 N 0.63 0.93 0.07 5.51 0.00 -1.05 -1.08 121.76 126.77 1x5h s ALA 95 Ca -0.02 -0.79 -0.17 0.00 0.00 0.00 0.00 51.96 50.98 1x5h s ALA 95 Cb -0.14 -0.09 -0.06 0.00 0.00 0.00 0.00 23.12 22.82 1x5h s ALA 95 CO 0.02 0.13 0.52 0.00 0.00 0.00 0.00 175.76 176.44 1x5h s ALA 96 N -1.02 3.61 -0.06 0.00 0.00 -1.17 0.14 121.76 123.27 1x5h s ALA 96 Ca -0.02 -0.07 0.05 0.00 0.00 0.00 0.00 51.96 51.92 1x5h s ALA 96 Cb -0.08 -2.55 -0.01 0.00 0.00 0.00 0.00 23.12 20.48 1x5h s ALA 96 CO 0.01 0.43 -0.22 -0.51 0.00 0.00 0.00 175.76 175.48 1x5h s LEU 97 N -1.31 2.01 0.35 0.00 1.43 0.81 -0.12 118.68 121.85 1x5h s LEU 97 Ca 0.30 -0.46 0.03 0.00 -1.03 0.00 0.00 54.13 52.98 1x5h s LEU 97 Cb -0.18 -1.23 -0.04 0.00 0.03 0.00 0.00 46.19 44.78 1x5h s LEU 97 CO 0.18 0.20 0.12 0.42 0.23 0.00 0.00 176.35 177.49 1x5h s THR 98 N -0.02 0.68 0.41 5.49 -4.23 -1.19 -0.70 115.64 116.08 1x5h s THR 98 Ca -0.06 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.60 1x5h s THR 98 Cb -0.13 -2.52 0.35 0.00 1.34 0.00 0.00 72.50 71.54 1x5h s THR 98 CO 0.04 0.00 1.88 -0.29 -0.54 0.00 0.00 174.62 175.71 1x5h h ILE 99 N 2.01 0.76 -0.03 2.99 6.09 -1.97 0.29 117.51 127.65 1x5h h ILE 99 Ca -0.36 -0.17 0.01 0.00 -1.37 0.00 0.00 64.86 62.97 1x5h h ILE 99 Cb 1.26 0.24 -0.00 0.00 0.47 0.00 0.00 36.82 38.79 1x5h h ILE 99 CO 0.59 0.09 0.07 0.78 -3.07 0.00 0.00 178.15 176.61 1x5h h ASN 100 N 0.48 0.00 0.00 2.19 2.35 -1.93 -3.47 115.58 115.20 1x5h h ASN 100 Ca 0.42 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.17 1x5h h ASN 100 Cb 0.92 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.29 1x5h h ASN 100 CO -0.16 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.23 1x5h n GLY 101 N -1.22 0.67 3.57 2.83 0.00 0.10 -4.65 105.19 106.49 1x5h n GLY 101 Ca -0.02 -0.30 -0.26 0.00 0.00 0.00 0.00 46.02 45.44 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 1.60 0.12 2.61 -4.23 -1.26 -3.18 115.64 111.30 1x5h s THR 102 Ca 0.00 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.52 1x5h s THR 102 Cb 0.00 -2.84 -0.00 0.00 1.34 0.00 0.00 72.50 71.00 1x5h s THR 102 CO 0.00 0.00 0.04 0.61 -0.54 0.00 0.00 174.62 174.73 1x5h n GLY 103 N -0.89 3.87 3.73 3.99 0.00 0.82 -3.97 105.19 112.74 1x5h n GLY 103 Ca -0.05 -2.00 -0.30 0.00 0.00 0.00 0.00 46.02 43.67 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 -2.46 1.50 0.11 1.61 0.04 -1.26 -4.64 135.00 129.91 1x5h s PRO 104 Ca 0.05 0.90 0.09 0.00 0.04 0.00 0.00 61.00 62.09 1x5h s PRO 104 Cb 0.00 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.68 1x5h s PRO 104 CO 0.04 -2.10 -0.23 0.00 0.04 0.00 0.00 177.00 174.75 1x5h s ALA 105 N -2.93 2.02 0.51 8.56 0.00 -1.26 -3.03 121.76 125.63 1x5h s ALA 105 Ca 0.63 -1.33 -0.18 0.00 0.00 0.00 0.00 51.96 51.08 1x5h s ALA 105 Cb -0.18 -0.30 -0.08 0.00 0.00 0.00 0.00 23.12 22.57 1x5h s ALA 105 CO 0.57 0.43 1.00 0.95 0.00 0.00 0.00 175.76 178.70 1x5h s THR 106 N -1.12 4.28 1.06 0.00 -4.23 -0.24 -4.94 115.64 110.44 1x5h s THR 106 Ca 0.09 1.20 -0.22 0.00 -1.18 0.00 0.00 61.69 61.58 1x5h s THR 106 Cb -0.10 -3.60 -0.04 0.00 1.34 0.00 0.00 72.50 70.10 1x5h s THR 106 CO 0.05 -0.52 -0.70 -0.67 -0.54 0.00 0.00 174.62 172.24 1x5h n ASP 107 N -1.37 -2.82 -4.52 3.99 2.03 -1.26 -4.49 116.55 108.11 1x5h n ASP 107 Ca 0.07 -0.04 -0.42 0.00 0.52 0.00 0.00 54.79 54.93 1x5h n ASP 107 Cb 0.54 -0.76 -0.03 0.00 -0.72 0.00 0.00 41.12 40.14 1x5h n ASP 107 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 1x5h s TRP 108 N -2.13 2.46 -0.30 -0.67 0.23 -1.26 -4.65 118.94 112.61 1x5h s TRP 108 Ca 0.47 -0.37 -0.23 0.00 -2.03 0.00 0.00 56.10 53.94 1x5h s TRP 108 Cb -0.03 -4.55 -0.00 0.00 0.03 0.00 0.00 33.47 28.92 1x5h s TRP 108 CO 0.67 -1.93 0.75 -1.17 0.96 0.00 0.00 176.95 176.23 1x5h s LEU 109 N 5.07 4.10 -0.18 2.99 2.96 -1.14 -4.90 118.68 127.58 1x5h s LEU 109 Ca 0.34 0.63 -0.12 0.00 -0.22 0.00 0.00 54.13 54.76 1x5h s LEU 109 Cb -0.08 -3.01 -0.05 0.00 0.50 0.00 0.00 46.19 43.54 1x5h s LEU 109 CO 0.08 -0.57 0.21 -0.94 -1.32 0.00 0.00 176.35 173.82 1x5h s SER 110 N 1.60 6.33 -0.02 3.68 1.04 -1.26 -2.03 113.70 123.05 1x5h s SER 110 Ca 0.31 0.38 0.05 0.00 0.48 0.00 0.00 55.95 57.16 1x5h s SER 110 Cb -0.14 -2.14 -0.01 0.00 0.10 0.00 0.00 66.02 63.83 1x5h s SER 110 CO 0.12 0.15 -0.15 0.00 0.98 0.00 0.00 173.24 174.33 1x5h s ALA 111 N 0.37 1.28 -0.22 5.32 0.00 0.78 -4.92 121.76 124.37 1x5h s ALA 111 Ca 0.13 -0.64 -0.09 0.00 0.00 0.00 0.00 51.96 51.35 1x5h s ALA 111 Cb -0.12 -0.35 -0.05 0.00 0.00 0.00 0.00 23.12 22.60 1x5h s ALA 111 CO 0.01 0.30 0.12 -2.00 0.00 0.00 0.00 175.76 174.19 1x5h s GLU 112 N -0.26 4.02 0.80 0.00 2.12 -1.26 -0.75 118.70 123.37 1x5h s GLU 112 Ca 0.04 -0.30 -0.11 0.00 0.36 0.00 0.00 54.97 54.95 1x5h s GLU 112 Cb -0.07 -3.41 0.07 0.00 0.26 0.00 0.00 34.13 30.98 1x5h s GLU 112 CO -0.00 0.13 1.09 0.95 -0.54 0.00 0.00 175.26 176.89 1x5h s THR 113 N 0.83 3.16 -0.10 -1.70 -4.23 -1.25 -4.98 115.64 107.37 1x5h s THR 113 Ca 0.06 0.38 -0.30 0.00 -1.18 0.00 0.00 61.69 60.65 1x5h s THR 113 Cb -0.13 -3.06 -0.02 0.00 1.34 0.00 0.00 72.50 70.63 1x5h s THR 113 CO 0.02 -0.49 1.23 -0.36 -0.54 0.00 0.00 174.62 174.48 1x5h s PHE 114 N -3.08 3.03 0.64 3.99 0.08 -1.26 -3.92 117.98 117.46 1x5h s PHE 114 Ca 0.61 1.12 0.21 0.00 0.12 0.00 0.00 56.93 58.98 1x5h s PHE 114 Cb -0.15 -3.46 1.03 0.00 -0.57 0.00 0.00 43.02 39.86 1x5h s PHE 114 CO 0.55 -1.51 1.55 0.93 -0.10 0.00 0.00 175.22 176.65 1x5h h GLU 115 N 7.79 0.00 -3.73 0.44 5.08 -1.93 -3.35 114.58 118.88 1x5h h GLU 115 Ca -0.31 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 57.82 1x5h h GLU 115 Cb 1.14 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 30.11 1x5h h GLU 115 CO 0.92 0.00 -0.72 -1.12 -1.00 0.00 0.00 179.01 177.09 1x5h s SER 116 N -4.03 0.00 0.28 1.42 0.01 -1.26 -4.64 113.70 105.49 1x5h s SER 116 Ca -0.02 -0.01 0.02 0.00 1.31 0.00 0.00 55.95 57.24 1x5h s SER 116 Cb 0.09 0.00 0.68 0.00 0.21 0.00 0.00 66.02 67.00 1x5h s SER 116 CO 0.29 -0.01 1.67 -2.24 0.41 0.00 0.00 173.24 173.36 1x5h h ASP 117 N 6.12 0.13 -0.27 2.44 2.03 -1.99 -3.42 116.42 121.47 1x5h h ASP 117 Ca -0.24 0.17 -0.62 0.00 -0.73 0.00 0.00 57.03 55.61 1x5h h ASP 117 Cb 1.21 0.20 -0.02 0.00 -0.83 0.00 0.00 39.33 39.90 1x5h h ASP 117 CO 0.51 -0.08 0.85 -0.11 -1.03 0.00 0.00 179.24 179.37 1x5h n LEU 118 N -5.15 0.70 -4.80 0.15 7.94 -1.26 -4.70 117.00 109.89 1x5h n LEU 118 Ca 0.21 0.66 -0.30 0.00 -1.11 0.00 0.00 56.01 55.47 1x5h n LEU 118 Cb 0.64 -0.69 0.08 0.00 0.53 0.00 0.00 43.42 43.99 1x5h n LEU 118 CO 0.10 -0.61 0.71 1.51 -1.11 0.00 0.00 177.39 177.98 1x5h s ASP 119 N 3.81 4.64 0.46 1.96 -4.77 -1.26 -5.03 116.67 116.47 1x5h s ASP 119 Ca 0.88 1.44 0.07 0.00 -3.30 0.00 0.00 52.55 51.65 1x5h s ASP 119 Cb -1.16 -2.21 0.00 0.00 -1.09 0.00 0.00 42.92 38.47 1x5h s ASP 119 CO 0.55 -1.89 0.41 -1.61 0.70 0.00 0.00 175.17 173.33 1x5h s GLU 120 N -5.09 2.43 0.00 2.11 0.41 -1.26 -5.13 118.70 112.18 1x5h s GLU 120 Ca 0.60 -1.68 -0.02 0.00 -0.41 0.00 0.00 54.97 53.46 1x5h s GLU 120 Cb -0.15 -2.32 -0.04 0.00 -1.78 0.00 0.00 34.13 29.85 1x5h s GLU 120 CO 0.55 -0.36 0.19 -0.08 -0.49 0.00 0.00 175.26 175.07 1x5h s THR 121 N -2.57 5.43 -0.24 3.63 -1.32 -1.26 -5.10 115.64 114.21 1x5h s THR 121 Ca 0.46 -0.19 -0.12 0.00 -1.21 0.00 0.00 61.69 60.63 1x5h s THR 121 Cb -0.03 -3.55 0.08 0.00 -1.51 0.00 0.00 72.50 67.49 1x5h s THR 121 CO 0.27 0.30 0.57 -0.13 -2.21 0.00 0.00 174.62 173.42 1x5h s ARG 122 N -2.02 0.55 -0.52 7.08 0.52 -1.26 -5.12 118.95 118.18 1x5h s ARG 122 Ca 0.28 1.11 -0.18 0.00 -0.52 0.00 0.00 55.73 56.43 1x5h s ARG 122 Cb -0.13 0.23 0.08 0.00 0.52 0.00 0.00 34.95 35.65 1x5h s ARG 122 CO 0.20 -0.17 0.57 0.14 0.02 0.00 0.00 175.30 176.06 1x5h s VAL 123 N 1.88 4.99 0.39 3.52 -7.23 -1.26 -5.05 120.40 117.63 1x5h s VAL 123 Ca -0.08 -0.81 -0.26 0.00 -1.81 0.00 0.00 61.98 59.02 1x5h s VAL 123 Cb -0.08 -4.29 -0.09 0.00 0.56 0.00 0.00 36.38 32.48 1x5h s VAL 123 CO -0.17 -0.81 1.19 -2.16 -0.31 0.00 0.00 175.10 172.85 1x5h s PRO 124 N 2.30 4.08 -0.19 4.82 0.04 -1.26 -5.05 135.00 139.74 1x5h s PRO 124 Ca 0.11 1.90 -0.05 0.00 0.04 0.00 0.00 61.00 63.00 1x5h s PRO 124 Cb -0.22 -2.73 0.09 0.00 0.04 0.00 0.00 34.50 31.68 1x5h s PRO 124 CO 0.09 -0.32 0.35 -2.00 0.04 0.00 0.00 177.00 175.16 1x5h s GLU 125 N -2.23 0.27 -0.07 4.56 2.56 -1.26 -5.15 118.70 117.38 1x5h s GLU 125 Ca 0.56 0.79 -0.06 0.00 0.00 0.00 0.00 54.97 56.26 1x5h s GLU 125 Cb -0.32 -0.05 0.02 0.00 2.00 0.00 0.00 34.13 35.77 1x5h s GLU 125 CO 0.41 -0.38 0.19 0.54 -0.56 0.00 0.00 175.26 175.46 1x5h s VAL 126 N 2.53 -0.01 -0.12 3.70 0.11 -1.26 -5.15 120.40 120.20 1x5h s VAL 126 Ca 0.03 0.02 -0.06 0.00 -2.93 0.00 0.00 61.98 59.04 1x5h s VAL 126 Cb -0.13 -0.27 0.05 0.00 -1.53 0.00 0.00 36.38 34.50 1x5h s VAL 126 CO -0.12 0.01 0.28 -0.44 -3.33 0.00 0.00 175.10 171.49 1x5h s SER 127 N 0.27 -0.31 0.00 3.54 0.01 -1.26 -5.13 113.70 110.82 1x5h s SER 127 Ca -0.01 0.59 0.00 0.00 1.31 0.00 0.00 55.95 57.83 1x5h s SER 127 Cb -0.03 0.48 0.00 0.00 0.21 0.00 0.00 66.02 66.68 1x5h s SER 127 CO -0.01 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.09 1x5h n GLY 128 N 4.14 0.94 3.65 3.44 0.00 -1.26 -5.17 105.19 110.93 1x5h n GLY 128 Ca -0.24 0.57 -0.29 0.00 0.00 0.00 0.00 46.02 46.06 1x5h n GLY 128 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5h s PRO 129 N 0.00 -0.01 0.24 1.61 0.04 -1.26 -5.09 135.00 130.54 1x5h s PRO 129 Ca 0.00 0.37 0.02 0.00 0.04 0.00 0.00 61.00 61.43 1x5h s PRO 129 Cb 0.00 -1.70 -0.04 0.00 0.04 0.00 0.00 34.50 32.80 1x5h s PRO 129 CO 0.00 -2.99 0.17 0.45 0.04 0.00 0.00 177.00 174.67 1x5h s SER 130 N -3.53 0.66 0.34 6.66 0.15 -1.26 -5.18 113.70 111.54 1x5h s SER 130 Ca 0.67 -1.50 -0.13 0.00 0.70 0.00 0.00 55.95 55.68 1x5h s SER 130 Cb -0.17 0.43 0.03 0.00 -1.71 0.00 0.00 66.02 64.60 1x5h s SER 130 CO 0.57 -0.90 0.66 -0.55 1.20 0.00 0.00 173.24 174.22 1x5h s SER 131 N -3.23 0.17 0.00 5.45 0.15 -1.26 -5.38 113.70 109.60 1x5h s SER 131 Ca 0.39 -1.12 0.00 0.00 0.70 0.00 0.00 55.95 55.93 1x5h s SER 131 Cb 0.06 0.75 0.00 0.00 -1.71 0.00 0.00 66.02 65.12 1x5h s SER 131 CO 0.17 -1.47 0.00 0.61 1.20 0.00 0.00 173.24 173.74