#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5h n SER 2 N 0.00 -2.82 -4.10 1.61 7.64 -1.26 -5.04 113.62 109.65 1x5h n SER 2 Ca 0.00 -0.28 -0.08 0.00 1.01 0.00 0.00 58.87 59.51 1x5h n SER 2 Cb 0.00 -0.79 -0.10 0.00 -1.01 0.00 0.00 64.21 62.31 1x5h n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x5h s SER 3 N -1.84 0.66 0.12 6.43 0.15 -1.26 -5.17 113.70 112.79 1x5h s SER 3 Ca 0.40 -0.93 0.00 0.00 0.70 0.00 0.00 55.95 56.12 1x5h s SER 3 Cb -0.06 0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.40 1x5h s SER 3 CO 0.44 -0.51 0.00 0.61 1.20 0.00 0.00 173.24 174.97 1x5h n GLY 4 N 0.28 -1.72 3.32 9.45 0.00 -1.26 -5.11 105.19 110.15 1x5h n GLY 4 Ca -0.15 -1.48 -0.10 0.00 0.00 0.00 0.00 46.02 44.28 1x5h n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5h s SER 5 N -1.34 -0.24 0.16 1.61 0.01 -1.26 -5.18 113.70 107.45 1x5h s SER 5 Ca 0.00 -0.30 -0.13 0.00 1.31 0.00 0.00 55.95 56.83 1x5h s SER 5 Cb 0.00 0.47 0.01 0.00 0.21 0.00 0.00 66.02 66.71 1x5h s SER 5 CO 0.00 -0.85 0.36 -0.94 0.41 0.00 0.00 173.24 172.22 1x5h s SER 6 N -2.78 -0.08 0.00 2.44 1.04 -1.26 -5.18 113.70 107.88 1x5h s SER 6 Ca 0.03 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 55.83 1x5h s SER 6 Cb 0.02 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1x5h s SER 6 CO -0.12 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 173.80 1x5h n GLY 7 N -0.23 3.52 2.90 7.32 0.00 -1.26 -5.16 105.19 112.27 1x5h n GLY 7 Ca -0.11 -0.74 -0.25 0.00 0.00 0.00 0.00 46.02 44.92 1x5h n GLY 7 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1x5h s ASP 8 N 1.84 1.91 0.71 1.61 1.47 -1.26 -5.12 116.67 117.82 1x5h s ASP 8 Ca 0.00 -0.25 -0.17 0.00 1.18 0.00 0.00 52.55 53.31 1x5h s ASP 8 Cb 0.00 -0.73 -0.15 0.00 -0.34 0.00 0.00 42.92 41.70 1x5h s ASP 8 CO 0.00 -0.11 -0.42 0.55 0.68 0.00 0.00 175.17 175.88 1x5h n VAL 9 N 4.75 0.00 -3.58 2.11 3.14 -1.26 -4.96 118.33 118.53 1x5h n VAL 9 Ca -0.14 -0.49 -0.29 0.00 -2.96 0.00 0.00 64.34 60.46 1x5h n VAL 9 Cb 0.50 0.00 -0.12 0.00 -1.06 0.00 0.00 33.84 33.16 1x5h n VAL 9 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1x5h s ALA 10 N -1.97 1.76 -0.02 1.55 0.00 -1.26 -5.11 121.76 116.72 1x5h s ALA 10 Ca 0.49 -2.46 -0.30 0.00 0.00 0.00 0.00 51.96 49.69 1x5h s ALA 10 Cb -0.35 -1.76 -0.04 0.00 0.00 0.00 0.00 23.12 20.97 1x5h s ALA 10 CO 0.72 -2.06 1.18 0.14 0.00 0.00 0.00 175.76 175.74 1x5h s VAL 11 N 0.33 4.25 -0.03 0.00 -7.23 -1.26 -5.03 120.40 111.43 1x5h s VAL 11 Ca 0.22 1.59 0.07 0.00 -1.81 0.00 0.00 61.98 62.05 1x5h s VAL 11 Cb -0.15 -4.02 -0.02 0.00 0.56 0.00 0.00 36.38 32.75 1x5h s VAL 11 CO -0.06 0.04 -0.25 0.00 -0.31 0.00 0.00 175.10 174.53 1x5h s ARG 12 N 1.80 2.10 -0.14 4.82 1.70 -1.26 -5.13 118.95 122.85 1x5h s ARG 12 Ca 0.56 -0.89 -0.06 0.00 -0.47 0.00 0.00 55.73 54.87 1x5h s ARG 12 Cb -0.26 -1.98 -0.04 0.00 -0.57 0.00 0.00 34.95 32.11 1x5h s ARG 12 CO 0.24 0.50 0.09 0.99 -1.08 0.00 0.00 175.30 176.04 1x5h s THR 13 N -0.50 5.05 -0.59 4.99 2.01 -1.26 -5.03 115.64 120.31 1x5h s THR 13 Ca 0.07 0.04 -0.26 0.00 0.31 0.00 0.00 61.69 61.85 1x5h s THR 13 Cb -0.10 -3.22 -0.03 0.00 0.01 0.00 0.00 72.50 69.16 1x5h s THR 13 CO -0.00 0.56 1.98 -0.76 -0.69 0.00 0.00 174.62 175.70 1x5h s LEU 14 N -0.48 3.31 -0.18 4.42 1.43 -1.26 -4.91 118.68 121.01 1x5h s LEU 14 Ca 0.11 0.47 -0.09 0.00 -1.03 0.00 0.00 54.13 53.59 1x5h s LEU 14 Cb -0.12 -2.52 0.06 0.00 0.03 0.00 0.00 46.19 43.64 1x5h s LEU 14 CO 0.02 -2.50 0.43 -0.94 0.23 0.00 0.00 176.35 173.59 1x5h s SER 15 N 8.97 -0.53 0.58 2.29 1.04 -1.26 -5.02 113.70 119.77 1x5h s SER 15 Ca 0.74 0.95 0.29 0.00 0.48 0.00 0.00 55.95 58.40 1x5h s SER 15 Cb -0.13 0.87 1.77 0.00 0.10 0.00 0.00 66.02 68.63 1x5h s SER 15 CO 0.21 -0.20 2.23 0.44 0.98 0.00 0.00 173.24 176.91 1x5h h ASP 16 N 7.21 0.00 -4.05 7.02 3.32 -1.94 -3.44 116.42 124.55 1x5h h ASP 16 Ca -0.34 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.17 1x5h h ASP 16 Cb 1.18 0.00 0.12 0.00 0.22 0.00 0.00 39.33 40.85 1x5h h ASP 16 CO 0.27 0.01 0.55 0.68 -1.72 0.00 0.00 179.24 179.03 1x5h s VAL 17 N -4.60 2.40 -1.16 -1.35 -7.23 -1.26 -4.78 120.40 102.43 1x5h s VAL 17 Ca -0.05 0.29 -0.23 0.00 -1.81 0.00 0.00 61.98 60.18 1x5h s VAL 17 Cb 0.15 -3.14 -0.08 0.00 0.56 0.00 0.00 36.38 33.87 1x5h s VAL 17 CO 0.55 -0.02 1.94 -2.16 -0.31 0.00 0.00 175.10 175.10 1x5h s PRO 18 N -3.00 2.49 -0.84 4.82 0.04 -1.26 -4.85 135.00 132.40 1x5h s PRO 18 Ca 0.72 -1.08 -0.21 0.00 0.04 0.00 0.00 61.00 60.48 1x5h s PRO 18 Cb -0.36 -5.22 -0.14 0.00 0.04 0.00 0.00 34.50 28.82 1x5h s PRO 18 CO 0.41 -3.94 1.96 0.45 0.04 0.00 0.00 177.00 175.93 1x5h n SER 19 N 14.39 2.76 -3.35 6.66 2.88 -1.26 -3.92 113.62 131.79 1x5h n SER 19 Ca 0.44 -2.68 0.02 0.00 -1.33 0.00 0.00 58.87 55.33 1x5h n SER 19 Cb 0.47 -1.16 -0.04 0.00 -0.75 0.00 0.00 64.21 62.72 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 4.75 -2.93 0.51 -1.46 0.00 -1.26 -4.97 121.76 116.40 1x5h s ALA 20 Ca 0.56 1.94 -0.03 0.00 0.00 0.00 0.00 51.96 54.43 1x5h s ALA 20 Cb 0.14 -2.13 -0.01 0.00 0.00 0.00 0.00 23.12 21.13 1x5h s ALA 20 CO 0.09 -0.86 0.77 0.00 0.00 0.00 0.00 175.76 175.76 1x5h s ALA 21 N 2.07 3.51 0.37 0.00 0.00 -1.26 -4.51 121.76 121.94 1x5h s ALA 21 Ca -0.02 -0.81 -0.27 0.00 0.00 0.00 0.00 51.96 50.86 1x5h s ALA 21 Cb -0.03 -2.40 -0.09 0.00 0.00 0.00 0.00 23.12 20.60 1x5h s ALA 21 CO -0.16 -0.52 1.20 -1.25 0.00 0.00 0.00 175.76 175.03 1x5h s PRO 22 N -4.75 4.19 0.55 0.00 0.04 -1.26 -4.41 135.00 129.36 1x5h s PRO 22 Ca 0.50 1.95 0.08 0.00 0.04 0.00 0.00 61.00 63.56 1x5h s PRO 22 Cb -0.10 -2.84 0.06 0.00 0.04 0.00 0.00 34.50 31.66 1x5h s PRO 22 CO 0.42 -0.23 0.62 -0.65 0.04 0.00 0.00 177.00 177.20 1x5h s GLN 23 N -2.06 2.33 -1.38 4.56 1.11 -0.65 -4.65 119.66 118.92 1x5h s GLN 23 Ca 0.53 -1.74 -0.06 0.00 0.01 0.00 0.00 55.36 54.11 1x5h s GLN 23 Cb -0.34 -2.45 0.03 0.00 -1.01 0.00 0.00 33.01 29.24 1x5h s GLN 23 CO 0.43 -0.70 0.86 0.09 0.01 0.00 0.00 175.29 175.97 1x5h n ASN 24 N -2.02 -2.92 -4.79 5.90 3.02 -1.26 -0.22 115.26 112.97 1x5h n ASN 24 Ca 0.09 -0.77 -0.35 0.00 -0.03 0.00 0.00 54.58 53.52 1x5h n ASN 24 Cb 0.62 -4.15 -0.03 0.00 -0.61 0.00 0.00 39.78 35.61 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 -6.92 3.90 0.10 3.41 2.96 -1.26 -4.11 118.68 116.76 1x5h s LEU 25 Ca 0.28 2.01 -0.25 0.00 -0.22 0.00 0.00 54.13 55.94 1x5h s LEU 25 Cb -0.14 -4.47 0.08 0.00 0.50 0.00 0.00 46.19 42.17 1x5h s LEU 25 CO 0.81 -0.79 0.71 -0.44 -1.32 0.00 0.00 176.35 175.32 1x5h s SER 26 N -1.83 -0.49 -0.35 3.68 0.01 0.30 -4.98 113.70 110.04 1x5h s SER 26 Ca 0.66 0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.92 1x5h s SER 26 Cb -0.19 0.52 0.11 0.00 0.21 0.00 0.00 66.02 66.67 1x5h s SER 26 CO 0.23 -0.83 0.14 -0.76 0.41 0.00 0.00 173.24 172.43 1x5h s LEU 27 N -2.64 2.42 -0.95 2.44 1.43 -1.26 -1.32 118.68 118.81 1x5h s LEU 27 Ca 0.03 -1.97 -0.23 0.00 -1.03 0.00 0.00 54.13 50.93 1x5h s LEU 27 Cb -0.01 -0.93 0.06 0.00 0.03 0.00 0.00 46.19 45.35 1x5h s LEU 27 CO -0.11 -0.37 1.34 -0.70 0.23 0.00 0.00 176.35 176.74 1x5h s GLU 28 N 1.20 3.51 -0.66 1.70 2.56 0.43 -4.89 118.70 122.55 1x5h s GLU 28 Ca 0.12 -1.10 -0.26 0.00 0.00 0.00 0.00 54.97 53.74 1x5h s GLU 28 Cb -0.20 -5.06 -0.08 0.00 2.00 0.00 0.00 34.13 30.79 1x5h s GLU 28 CO -0.16 -2.10 2.28 0.08 -0.56 0.00 0.00 175.26 174.80 1x5h s VAL 29 N 4.63 3.11 0.01 3.70 1.01 -1.26 -1.79 120.40 129.81 1x5h s VAL 29 Ca 0.41 -0.02 -0.22 0.00 0.00 0.00 0.00 61.98 62.15 1x5h s VAL 29 Cb -0.03 -3.26 -0.17 0.00 0.00 0.00 0.00 36.38 32.92 1x5h s VAL 29 CO -0.05 -0.25 1.30 0.03 0.00 0.00 0.00 175.10 176.12 1x5h h ARG 30 N 15.66 0.25 -4.34 2.72 2.47 -1.92 -3.48 114.38 125.74 1x5h h ARG 30 Ca -0.12 -0.14 -0.19 0.00 -1.26 0.00 0.00 59.98 58.27 1x5h h ARG 30 Cb 1.13 0.01 -0.14 0.00 -1.65 0.00 0.00 29.97 29.33 1x5h h ARG 30 CO 1.12 0.69 -0.50 -0.80 0.56 0.00 0.00 179.97 181.04 1x5h s ASN 31 N -6.03 0.10 0.04 7.04 0.01 -1.12 -4.98 114.94 110.00 1x5h s ASN 31 Ca -0.15 -1.25 0.15 0.00 -0.71 0.00 0.00 52.86 50.90 1x5h s ASN 31 Cb 0.04 0.42 0.65 0.00 0.41 0.00 0.00 41.25 42.77 1x5h s ASN 31 CO 0.73 -0.90 1.48 -1.20 -1.51 0.00 0.00 177.10 175.71 1x5h n SER 32 N -0.28 0.10 -0.00 -1.22 7.64 -1.26 -2.23 113.62 116.37 1x5h n SER 32 Ca 0.00 0.52 0.03 0.00 1.01 0.00 0.00 58.87 60.43 1x5h n SER 32 Cb 0.65 -0.54 -0.03 0.00 -1.01 0.00 0.00 64.21 63.27 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 -1.61 4.19 -4.34 1.43 2.85 -1.26 -3.35 118.16 116.07 1x5h n LYS 33 Ca 0.03 -0.01 -0.21 0.00 -1.05 0.00 0.00 58.31 57.07 1x5h n LYS 33 Cb 0.17 -0.83 -0.11 0.00 -0.65 0.00 0.00 35.03 33.61 1x5h n LYS 33 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1x5h s SER 34 N -1.74 2.67 -0.25 -5.58 0.15 -0.95 -0.59 113.70 107.40 1x5h s SER 34 Ca 0.01 -0.90 -0.02 0.00 0.70 0.00 0.00 55.95 55.75 1x5h s SER 34 Cb 0.04 -0.16 0.14 0.00 -1.71 0.00 0.00 66.02 64.33 1x5h s SER 34 CO 0.22 -0.06 0.39 -0.63 1.20 0.00 0.00 173.24 174.36 1x5h s ILE 35 N -2.24 -0.61 0.28 6.45 1.01 -0.57 -2.81 121.20 122.72 1x5h s ILE 35 Ca 0.17 -0.11 -0.28 0.00 0.00 0.00 0.00 60.65 60.43 1x5h s ILE 35 Cb -0.05 -0.84 -0.09 0.00 0.01 0.00 0.00 42.46 41.49 1x5h s ILE 35 CO 0.07 -0.15 1.00 -0.32 0.00 0.00 0.00 174.94 175.54 1x5h s MET 36 N 2.55 4.68 -0.19 2.79 -2.45 -0.74 -2.21 119.30 123.73 1x5h s MET 36 Ca 0.12 1.55 -0.00 0.00 -1.25 0.00 0.00 55.69 56.11 1x5h s MET 36 Cb -0.15 -3.09 0.01 0.00 1.25 0.00 0.00 34.83 32.85 1x5h s MET 36 CO -0.18 0.32 -0.15 0.42 1.05 0.00 0.00 175.02 176.48 1x5h s ILE 37 N -1.31 2.48 -0.25 10.11 1.01 0.20 -0.42 121.20 133.01 1x5h s ILE 37 Ca 0.45 -0.80 -0.04 0.00 0.00 0.00 0.00 60.65 60.27 1x5h s ILE 37 Cb -0.26 -2.07 0.01 0.00 0.01 0.00 0.00 42.46 40.15 1x5h s ILE 37 CO 0.33 0.51 -0.02 -1.00 0.00 0.00 0.00 174.94 174.75 1x5h s HIS 38 N 1.29 3.06 0.09 3.97 3.76 -0.43 -2.67 115.29 124.35 1x5h s HIS 38 Ca 0.04 -1.24 0.03 0.00 -0.15 0.00 0.00 55.06 53.74 1x5h s HIS 38 Cb -0.14 -2.12 -0.03 0.00 1.11 0.00 0.00 32.58 31.40 1x5h s HIS 38 CO -0.09 -0.64 -0.10 1.67 -0.85 0.00 0.00 174.74 174.73 1x5h s TRP 39 N 1.41 1.02 0.14 1.40 -2.14 -1.05 -0.54 118.94 119.18 1x5h s TRP 39 Ca 0.02 -0.65 0.07 0.00 2.66 0.00 0.00 56.10 58.20 1x5h s TRP 39 Cb -0.16 -0.56 -0.04 0.00 -3.10 0.00 0.00 33.47 29.61 1x5h s TRP 39 CO -0.02 -0.02 -0.01 -0.65 -2.66 0.00 0.00 176.95 173.59 1x5h s GLN 40 N -2.69 2.41 0.42 3.25 1.11 0.69 -4.78 119.66 120.06 1x5h s GLN 40 Ca 0.04 -1.02 -0.25 0.00 0.01 0.00 0.00 55.36 54.15 1x5h s GLN 40 Cb -0.03 -2.40 -0.08 0.00 -1.01 0.00 0.00 33.01 29.48 1x5h s GLN 40 CO -0.00 0.49 1.18 -1.25 0.01 0.00 0.00 175.29 175.72 1x5h s PRO 41 N -2.65 3.95 1.04 2.91 0.04 -1.26 -1.63 135.00 137.40 1x5h s PRO 41 Ca 0.26 1.85 -0.13 0.00 0.04 0.00 0.00 61.00 63.02 1x5h s PRO 41 Cb -0.10 -2.60 0.21 0.00 0.04 0.00 0.00 34.50 32.05 1x5h s PRO 41 CO 0.18 -0.41 1.09 -1.25 0.04 0.00 0.00 177.00 176.65 1x5h s PRO 42 N -2.41 0.10 0.69 0.56 0.04 -1.26 -4.54 135.00 128.17 1x5h s PRO 42 Ca 0.59 0.41 -0.17 0.00 0.04 0.00 0.00 61.00 61.88 1x5h s PRO 42 Cb -0.31 -1.71 -0.01 0.00 0.04 0.00 0.00 34.50 32.52 1x5h s PRO 42 CO 0.38 -2.93 0.97 0.00 0.04 0.00 0.00 177.00 175.46 1x5h n ALA 43 N -4.30 -0.11 0.16 8.56 0.00 -1.26 -4.91 120.51 118.65 1x5h n ALA 43 Ca 0.06 -0.13 0.01 0.00 0.00 0.00 0.00 53.44 53.37 1x5h n ALA 43 Cb 0.58 -2.12 0.27 0.00 0.00 0.00 0.00 19.45 18.19 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 0.00 0.00 0.00 0.13 -2.01 -2.67 132.00 127.40 1x5h h PRO 44 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1x5h h PRO 44 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1x5h h PRO 44 CO 0.48 0.48 0.00 0.00 -0.23 0.00 0.00 178.00 178.73 1x5h n ALA 45 N -2.44 1.84 -2.20 -0.56 0.00 -1.26 -3.15 120.51 112.74 1x5h n ALA 45 Ca -0.01 0.05 -0.26 0.00 0.00 0.00 0.00 53.44 53.21 1x5h n ALA 45 Cb 0.50 -1.41 0.01 0.00 0.00 0.00 0.00 19.45 18.56 1x5h n ALA 45 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1x5h n THR 46 N -2.21 2.54 0.00 0.00 -2.24 -1.01 -4.61 114.28 106.76 1x5h n THR 46 Ca 0.03 -4.51 0.00 0.00 -2.27 0.00 0.00 64.05 57.31 1x5h n THR 46 Cb 0.28 -1.21 0.00 0.00 -2.10 0.00 0.00 70.33 67.31 1x5h n THR 46 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x5h n GLN 47 N -0.60 3.06 -2.90 -0.78 6.02 -1.19 -4.35 117.38 116.64 1x5h n GLN 47 Ca 0.43 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 57.31 1x5h n GLN 47 Cb 0.78 -0.97 -0.02 0.00 1.02 0.00 0.00 30.24 31.05 1x5h n GLN 47 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1x5h n ASN 48 N -1.82 -1.14 0.00 1.08 0.23 -1.26 -4.53 115.26 107.82 1x5h n ASN 48 Ca 0.00 0.03 0.00 0.00 -0.53 0.00 0.00 54.58 54.08 1x5h n ASN 48 Cb 0.37 -1.08 0.00 0.00 -2.08 0.00 0.00 39.78 36.99 1x5h n ASN 48 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1x5h n GLY 49 N -0.62 -0.07 3.87 4.83 0.00 -1.26 -4.94 105.19 107.00 1x5h n GLY 49 Ca 0.03 -1.63 -0.34 0.00 0.00 0.00 0.00 46.02 44.08 1x5h n GLY 49 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1x5h s GLN 50 N -1.94 3.35 0.01 1.61 -2.07 -1.26 -5.08 119.66 114.28 1x5h s GLN 50 Ca 0.00 -0.32 -0.29 0.00 -1.82 0.00 0.00 55.36 52.93 1x5h s GLN 50 Cb 0.00 -3.06 -0.04 0.00 -1.09 0.00 0.00 33.01 28.83 1x5h s GLN 50 CO 0.00 0.69 0.93 0.42 -1.32 0.00 0.00 175.29 176.01 1x5h s ILE 51 N -1.23 4.83 -0.16 3.63 1.01 -1.26 -4.29 121.20 123.72 1x5h s ILE 51 Ca 0.24 1.95 0.08 0.00 0.00 0.00 0.00 60.65 62.92 1x5h s ILE 51 Cb -0.12 -4.27 -0.23 0.00 0.01 0.00 0.00 42.46 37.85 1x5h s ILE 51 CO 0.14 0.21 0.20 0.35 0.00 0.00 0.00 174.94 175.84 1x5h n THR 52 N 3.64 1.54 -3.60 2.92 -2.24 0.71 -4.57 114.28 112.69 1x5h n THR 52 Ca 0.04 -0.74 -0.04 0.00 -2.27 0.00 0.00 64.05 61.05 1x5h n THR 52 Cb 0.51 -1.06 -0.02 0.00 -2.10 0.00 0.00 70.33 67.66 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 -5.66 -0.34 -0.09 3.38 0.00 -1.19 -0.08 107.32 103.35 1x5h s GLY 53 Ca -0.17 1.28 -0.01 0.00 0.00 0.00 0.00 44.72 45.82 1x5h s GLY 53 CO 0.76 0.40 -0.04 -0.19 0.00 0.00 0.00 173.10 174.04 1x5h s TYR 54 N -2.54 3.04 -0.55 1.90 1.51 -1.20 -0.18 117.35 119.33 1x5h s TYR 54 Ca 0.10 0.04 -0.15 0.00 -1.01 0.00 0.00 57.07 56.05 1x5h s TYR 54 Cb 0.00 -1.78 0.14 0.00 -0.11 0.00 0.00 41.96 40.21 1x5h s TYR 54 CO -0.05 0.33 0.50 0.21 -1.11 0.00 0.00 175.55 175.44 1x5h s LYS 55 N -0.65 2.98 -0.40 -0.62 2.20 0.12 -1.93 119.74 121.44 1x5h s LYS 55 Ca 0.10 -1.78 -0.19 0.00 -0.36 0.00 0.00 55.97 53.74 1x5h s LYS 55 Cb -0.12 -4.27 0.01 0.00 -1.51 0.00 0.00 37.83 31.95 1x5h s LYS 55 CO 0.02 -1.31 0.57 0.42 -0.36 0.00 0.00 175.35 174.68 1x5h s ILE 56 N 1.46 4.94 -0.09 5.43 1.01 0.14 -2.53 121.20 131.56 1x5h s ILE 56 Ca 0.04 0.14 0.01 0.00 0.00 0.00 0.00 60.65 60.84 1x5h s ILE 56 Cb -0.28 -4.09 -0.02 0.00 0.01 0.00 0.00 42.46 38.07 1x5h s ILE 56 CO 0.02 -0.43 -0.10 -0.13 0.00 0.00 0.00 174.94 174.30 1x5h s ARG 57 N 2.56 2.94 0.01 2.79 0.52 -0.41 -0.91 118.95 126.45 1x5h s ARG 57 Ca 0.20 -0.63 0.02 0.00 -0.52 0.00 0.00 55.73 54.80 1x5h s ARG 57 Cb -0.15 -2.57 -0.01 0.00 0.52 0.00 0.00 34.95 32.74 1x5h s ARG 57 CO 0.16 0.49 -0.07 1.52 0.02 0.00 0.00 175.30 177.42 1x5h s TYR 58 N -0.36 0.60 0.34 -0.53 1.13 -1.01 -0.42 117.35 117.11 1x5h s TYR 58 Ca 0.04 -0.25 0.03 0.00 -1.41 0.00 0.00 57.07 55.49 1x5h s TYR 58 Cb -0.12 -0.38 -0.04 0.00 -1.10 0.00 0.00 41.96 40.32 1x5h s TYR 58 CO 0.02 -0.03 0.13 -0.98 -2.51 0.00 0.00 175.55 172.18 1x5h s ARG 59 N -0.70 1.72 -0.23 -3.49 1.70 -0.82 -1.39 118.95 115.76 1x5h s ARG 59 Ca -0.02 -2.00 -0.08 0.00 -0.47 0.00 0.00 55.73 53.15 1x5h s ARG 59 Cb -0.05 -0.43 -0.04 0.00 -0.57 0.00 0.00 34.95 33.86 1x5h s ARG 59 CO 0.00 -0.41 0.10 0.15 -1.08 0.00 0.00 175.30 174.06 1x5h s LYS 60 N -3.80 3.90 0.26 3.89 1.02 -1.13 -2.14 119.74 121.75 1x5h s LYS 60 Ca 0.32 -0.36 -0.04 0.00 0.02 0.00 0.00 55.97 55.91 1x5h s LYS 60 Cb 0.05 -3.37 0.54 0.00 -0.52 0.00 0.00 37.83 34.53 1x5h s LYS 60 CO 0.16 0.04 1.63 0.00 -0.92 0.00 0.00 175.35 176.26 1x5h h ALA 61 N 7.51 0.96 0.34 5.17 0.00 -1.94 0.43 119.26 131.72 1x5h h ALA 61 Ca -0.37 0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1x5h h ALA 61 Cb 1.17 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1x5h h ALA 61 CO 0.64 -0.45 -0.16 1.03 0.00 0.00 0.00 179.25 180.31 1x5h h SER 62 N 0.12 -0.38 -2.40 0.00 0.87 -1.94 -3.32 113.55 106.50 1x5h h SER 62 Ca 0.47 -0.14 -0.72 0.00 -1.23 0.00 0.00 61.79 60.17 1x5h h SER 62 Cb 0.88 0.10 -0.33 0.00 -0.44 0.00 0.00 62.40 62.61 1x5h h SER 62 CO -0.70 -0.06 0.30 -1.14 -0.53 0.00 0.00 176.83 174.71 1x5h n ARG 63 N -5.17 4.22 -0.35 2.24 3.00 -0.51 -4.88 116.66 115.20 1x5h n ARG 63 Ca -0.10 -4.70 0.08 0.00 -0.00 0.00 0.00 57.85 53.13 1x5h n ARG 63 Cb 0.26 -2.39 0.17 0.00 0.00 0.00 0.00 32.46 30.50 1x5h n ARG 63 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1x5h n LYS 64 N 0.35 -0.09 -0.33 -0.14 5.02 0.14 0.11 118.16 123.23 1x5h n LYS 64 Ca 0.35 1.53 0.21 0.00 -2.02 0.00 0.00 58.31 58.38 1x5h n LYS 64 Cb 0.33 -2.31 0.42 0.00 -0.02 0.00 0.00 35.03 33.45 1x5h n LYS 64 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1x5h h SER 65 N 0.00 0.41 -1.39 4.39 0.02 -1.90 -3.33 113.55 111.75 1x5h h SER 65 Ca 0.50 0.19 -0.42 0.00 -0.84 0.00 0.00 61.79 61.22 1x5h h SER 65 Cb 0.83 0.16 -0.05 0.00 0.14 0.00 0.00 62.40 63.48 1x5h h SER 65 CO -1.00 -0.12 1.07 -1.81 -1.14 0.00 0.00 176.83 173.83 1x5h s ASP 66 N -4.98 5.33 0.01 3.07 1.11 0.31 -4.94 116.67 116.59 1x5h s ASP 66 Ca -0.11 -0.26 0.05 0.00 0.18 0.00 0.00 52.55 52.41 1x5h s ASP 66 Cb 0.29 -2.55 -0.02 0.00 1.07 0.00 0.00 42.92 41.72 1x5h s ASP 66 CO 0.79 -2.46 -0.15 0.54 1.18 0.00 0.00 175.17 175.07 1x5h s VAL 67 N 9.10 1.15 -0.02 -1.27 0.11 -1.25 -2.85 120.40 125.38 1x5h s VAL 67 Ca 0.65 -0.77 0.06 0.00 -2.93 0.00 0.00 61.98 58.99 1x5h s VAL 67 Cb -0.09 -0.99 -0.03 0.00 -1.53 0.00 0.00 36.38 33.74 1x5h s VAL 67 CO 0.09 0.21 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.99 1x5h s THR 68 N -0.53 2.65 -0.17 5.04 2.01 -0.48 -4.98 115.64 119.17 1x5h s THR 68 Ca 0.04 -0.97 -0.09 0.00 0.31 0.00 0.00 61.69 60.99 1x5h s THR 68 Cb -0.06 -2.02 -0.05 0.00 0.01 0.00 0.00 72.50 70.38 1x5h s THR 68 CO 0.00 0.53 0.14 -0.70 -0.69 0.00 0.00 174.62 173.90 1x5h s GLU 69 N -0.86 3.95 -0.08 4.92 2.12 -1.26 -2.40 118.70 125.09 1x5h s GLU 69 Ca 0.12 -0.18 0.02 0.00 0.36 0.00 0.00 54.97 55.28 1x5h s GLU 69 Cb -0.10 -3.35 0.02 0.00 0.26 0.00 0.00 34.13 30.96 1x5h s GLU 69 CO 0.01 0.45 -0.11 0.99 -0.54 0.00 0.00 175.26 176.06 1x5h s THR 70 N -0.09 1.14 0.03 -1.70 2.01 -0.08 -5.01 115.64 111.94 1x5h s THR 70 Ca 0.11 -0.45 0.02 0.00 0.31 0.00 0.00 61.69 61.68 1x5h s THR 70 Cb -0.11 -1.07 -0.04 0.00 0.01 0.00 0.00 72.50 71.29 1x5h s THR 70 CO 0.00 0.36 0.02 -0.22 -0.69 0.00 0.00 174.62 174.10 1x5h s LEU 71 N 0.93 3.58 0.35 4.42 2.96 -1.26 0.25 118.68 129.91 1x5h s LEU 71 Ca -0.09 -0.03 0.07 0.00 -0.22 0.00 0.00 54.13 53.85 1x5h s LEU 71 Cb -0.15 -2.15 -0.03 0.00 0.50 0.00 0.00 46.19 44.36 1x5h s LEU 71 CO 0.00 0.24 0.26 0.68 -1.32 0.00 0.00 176.35 176.21 1x5h s VAL 72 N -1.19 0.10 0.87 1.68 -7.23 -0.81 -4.98 120.40 108.83 1x5h s VAL 72 Ca 0.23 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.28 1x5h s VAL 72 Cb -0.12 -2.45 0.11 0.00 0.56 0.00 0.00 36.38 34.48 1x5h s VAL 72 CO 0.14 0.00 1.11 -0.44 -0.31 0.00 0.00 175.10 175.60 1x5h s SER 73 N -3.43 3.86 0.05 4.85 0.01 -1.26 -3.25 113.70 114.53 1x5h s SER 73 Ca 0.37 1.23 -0.15 0.00 1.31 0.00 0.00 55.95 58.71 1x5h s SER 73 Cb 0.02 -1.90 -0.27 0.00 0.21 0.00 0.00 66.02 64.07 1x5h s SER 73 CO 0.26 -2.36 1.12 1.23 0.41 0.00 0.00 173.24 173.90 1x5h h GLY 74 N -1.36 0.70 1.08 3.44 0.00 -0.73 -3.19 103.07 103.00 1x5h h GLY 74 Ca -0.49 -1.38 0.00 0.00 0.00 0.00 0.00 47.33 45.46 1x5h h GLY 74 CO 0.59 1.21 -0.01 -0.37 0.00 0.00 0.00 176.54 177.97 1x5h n THR 75 N -3.86 0.00 -3.10 4.70 5.66 -1.26 -4.72 114.28 111.70 1x5h n THR 75 Ca -0.13 -0.02 -0.42 0.00 -3.05 0.00 0.00 64.05 60.44 1x5h n THR 75 Cb 0.93 -0.42 -0.07 0.00 -1.55 0.00 0.00 70.33 69.22 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 -2.18 3.58 -0.06 1.09 0.74 -1.21 -4.90 119.66 116.72 1x5h s GLN 76 Ca 0.41 -0.04 0.18 0.00 0.05 0.00 0.00 55.36 55.96 1x5h s GLN 76 Cb 0.21 -3.85 0.62 0.00 1.10 0.00 0.00 33.01 31.10 1x5h s GLN 76 CO 0.40 -0.82 1.53 1.28 -0.55 0.00 0.00 175.29 177.13 1x5h n LEU 77 N 6.14 4.15 -3.96 3.68 4.77 -1.26 -4.75 117.00 125.77 1x5h n LEU 77 Ca -0.01 -2.26 -0.09 0.00 -0.03 0.00 0.00 56.01 53.62 1x5h n LEU 77 Cb 0.48 -0.49 -0.10 0.00 -2.33 0.00 0.00 43.42 40.98 1x5h n LEU 77 CO 0.51 0.85 -0.27 -0.94 -1.33 0.00 0.00 177.39 176.21 1x5h s SER 78 N -1.02 0.22 -0.23 -1.43 1.04 -1.26 -2.54 113.70 108.49 1x5h s SER 78 Ca 0.45 -0.55 -0.22 0.00 0.48 0.00 0.00 55.95 56.12 1x5h s SER 78 Cb 0.27 0.18 0.06 0.00 0.10 0.00 0.00 66.02 66.64 1x5h s SER 78 CO 0.25 -0.44 0.62 -1.58 0.98 0.00 0.00 173.24 173.07 1x5h s GLN 79 N -2.31 0.73 -0.26 4.02 2.00 -1.09 -4.97 119.66 117.78 1x5h s GLN 79 Ca -0.08 0.84 -0.07 0.00 -2.00 0.00 0.00 55.36 54.06 1x5h s GLN 79 Cb -0.03 0.36 -0.01 0.00 0.80 0.00 0.00 33.01 34.13 1x5h s GLN 79 CO -0.04 -0.09 0.06 -1.17 -0.50 0.00 0.00 175.29 173.55 1x5h s LEU 80 N 0.28 3.52 -0.49 3.68 2.96 -1.26 -0.63 118.68 126.74 1x5h s LEU 80 Ca -0.00 -0.45 -0.14 0.00 -0.22 0.00 0.00 54.13 53.32 1x5h s LEU 80 Cb -0.04 -1.88 0.10 0.00 0.50 0.00 0.00 46.19 44.87 1x5h s LEU 80 CO 0.01 -0.10 0.42 -0.63 -1.32 0.00 0.00 176.35 174.73 1x5h s ILE 81 N 1.55 4.98 0.46 6.68 -1.09 -0.94 -4.92 121.20 127.92 1x5h s ILE 81 Ca 0.05 -1.37 0.02 0.00 -2.23 0.00 0.00 60.65 57.12 1x5h s ILE 81 Cb -0.16 -4.11 0.01 0.00 -1.58 0.00 0.00 42.46 36.62 1x5h s ILE 81 CO 0.02 -0.71 0.66 -1.61 -1.23 0.00 0.00 174.94 172.06 1x5h s GLU 82 N 1.56 2.90 0.00 2.79 2.02 -1.26 -1.51 118.70 125.21 1x5h s GLU 82 Ca 0.04 -0.73 0.00 0.00 0.02 0.00 0.00 54.97 54.30 1x5h s GLU 82 Cb -0.27 -2.60 0.00 0.00 0.10 0.00 0.00 34.13 31.36 1x5h s GLU 82 CO 0.04 -0.34 0.00 0.41 0.02 0.00 0.00 175.26 175.39 1x5h n GLY 83 N -2.06 0.51 3.69 -1.39 0.00 0.24 -4.94 105.19 101.24 1x5h n GLY 83 Ca 0.04 -0.35 -0.27 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.50 2.89 -0.16 0.99 1.43 -0.32 -5.03 118.68 116.98 1x5h s LEU 84 Ca 0.00 -1.29 -0.04 0.00 -1.03 0.00 0.00 54.13 51.76 1x5h s LEU 84 Cb 0.00 -1.09 -0.03 0.00 0.03 0.00 0.00 46.19 45.11 1x5h s LEU 84 CO 0.00 -0.55 -0.02 -1.81 0.23 0.00 0.00 176.35 174.20 1x5h s ASP 85 N -3.82 4.94 0.85 2.29 1.01 -1.26 -4.47 116.67 116.21 1x5h s ASP 85 Ca 0.34 -0.09 -0.13 0.00 0.71 0.00 0.00 52.55 53.38 1x5h s ASP 85 Cb 0.06 -1.81 0.08 0.00 1.01 0.00 0.00 42.92 42.26 1x5h s ASP 85 CO 0.18 0.17 0.98 -2.11 0.21 0.00 0.00 175.17 174.60 1x5h n ARG 86 N 3.54 -0.03 -4.10 8.23 1.85 -1.21 -3.18 116.66 121.76 1x5h n ARG 86 Ca -0.17 0.06 -0.30 0.00 -1.00 0.00 0.00 57.85 56.44 1x5h n ARG 86 Cb 0.52 -2.26 -0.05 0.00 -1.05 0.00 0.00 32.46 29.63 1x5h n ARG 86 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1x5h n GLY 87 N 0.77 -0.28 2.96 2.89 0.00 -1.22 -4.91 105.19 105.40 1x5h n GLY 87 Ca 0.12 0.20 -0.14 0.00 0.00 0.00 0.00 46.02 46.19 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 -4.07 -0.21 0.08 2.61 2.01 -1.19 -4.95 115.64 109.93 1x5h s THR 88 Ca 0.08 0.25 -0.31 0.00 0.31 0.00 0.00 61.69 62.01 1x5h s THR 88 Cb -0.04 -0.35 -0.07 0.00 0.01 0.00 0.00 72.50 72.05 1x5h s THR 88 CO 0.94 0.10 1.40 -0.70 -0.69 0.00 0.00 174.62 175.68 1x5h s GLU 89 N 1.86 4.31 -0.04 4.92 2.12 -1.26 -3.41 118.70 127.19 1x5h s GLU 89 Ca -0.03 2.06 0.04 0.00 0.36 0.00 0.00 54.97 57.39 1x5h s GLU 89 Cb -0.11 -3.35 0.00 0.00 0.26 0.00 0.00 34.13 30.93 1x5h s GLU 89 CO -0.07 -0.48 -0.15 0.71 -0.54 0.00 0.00 175.26 174.73 1x5h s TYR 90 N 1.50 1.52 0.04 5.30 2.02 0.09 -3.55 117.35 124.27 1x5h s TYR 90 Ca 0.65 -0.44 -0.02 0.00 -0.37 0.00 0.00 57.07 56.88 1x5h s TYR 90 Cb -0.36 -1.04 -0.04 0.00 -0.40 0.00 0.00 41.96 40.12 1x5h s TYR 90 CO 0.29 -0.16 0.22 -0.80 -1.57 0.00 0.00 175.55 173.53 1x5h s ASN 91 N 0.14 6.39 0.04 2.29 -0.87 -0.91 -0.02 114.94 122.00 1x5h s ASN 91 Ca -0.05 0.37 -0.04 0.00 -1.57 0.00 0.00 52.86 51.57 1x5h s ASN 91 Cb -0.11 -2.01 -0.02 0.00 -0.02 0.00 0.00 41.25 39.09 1x5h s ASN 91 CO 0.02 0.20 0.06 -0.36 -2.57 0.00 0.00 177.10 174.45 1x5h s PHE 92 N -1.43 0.25 -0.17 2.20 0.40 -0.76 -1.94 117.98 116.54 1x5h s PHE 92 Ca 0.32 -0.59 -0.07 0.00 -0.60 0.00 0.00 56.93 55.99 1x5h s PHE 92 Cb -0.13 -0.18 0.07 0.00 0.51 0.00 0.00 43.02 43.29 1x5h s PHE 92 CO 0.23 -0.34 0.37 -0.98 0.70 0.00 0.00 175.22 175.20 1x5h s ARG 93 N -2.63 0.31 -0.15 0.44 1.70 0.44 -2.55 118.95 116.51 1x5h s ARG 93 Ca -0.05 0.84 -0.07 0.00 -0.47 0.00 0.00 55.73 55.98 1x5h s ARG 93 Cb -0.01 0.08 -0.04 0.00 -0.57 0.00 0.00 34.95 34.41 1x5h s ARG 93 CO -0.05 -0.21 0.07 0.08 -1.08 0.00 0.00 175.30 174.12 1x5h s VAL 94 N 1.94 4.91 0.01 4.99 1.01 -1.26 -1.29 120.40 130.70 1x5h s VAL 94 Ca -0.05 -0.00 0.02 0.00 0.00 0.00 0.00 61.98 61.94 1x5h s VAL 94 Cb -0.10 -3.17 -0.01 0.00 0.00 0.00 0.00 36.38 33.09 1x5h s VAL 94 CO -0.12 0.52 -0.06 0.00 0.00 0.00 0.00 175.10 175.44 1x5h s ALA 95 N -0.13 0.50 0.10 5.51 0.00 -1.05 -0.49 121.76 126.20 1x5h s ALA 95 Ca 0.08 -0.36 -0.21 0.00 0.00 0.00 0.00 51.96 51.46 1x5h s ALA 95 Cb -0.12 -0.09 -0.07 0.00 0.00 0.00 0.00 23.12 22.84 1x5h s ALA 95 CO 0.01 0.09 0.64 0.00 0.00 0.00 0.00 175.76 176.50 1x5h s ALA 96 N -0.41 3.54 -0.02 0.00 0.00 -1.24 0.10 121.76 123.74 1x5h s ALA 96 Ca -0.00 0.14 0.07 0.00 0.00 0.00 0.00 51.96 52.18 1x5h s ALA 96 Cb -0.04 -2.75 -0.02 0.00 0.00 0.00 0.00 23.12 20.32 1x5h s ALA 96 CO -0.00 0.35 -0.24 -0.51 0.00 0.00 0.00 175.76 175.36 1x5h s LEU 97 N -1.08 2.05 0.26 0.00 1.43 0.75 0.32 118.68 122.41 1x5h s LEU 97 Ca 0.31 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 53.00 1x5h s LEU 97 Cb -0.21 -1.24 -0.04 0.00 0.03 0.00 0.00 46.19 44.73 1x5h s LEU 97 CO 0.21 0.29 0.18 0.42 0.23 0.00 0.00 176.35 177.69 1x5h s THR 98 N -0.58 0.09 0.47 5.49 -4.23 -0.49 -0.20 115.64 116.18 1x5h s THR 98 Ca 0.09 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 58.77 1x5h s THR 98 Cb -0.09 -2.51 0.33 0.00 1.34 0.00 0.00 72.50 71.57 1x5h s THR 98 CO -0.01 0.00 2.01 -0.29 -0.54 0.00 0.00 174.62 175.79 1x5h h ILE 99 N 2.38 0.88 0.00 2.99 2.10 -1.97 0.20 117.51 124.10 1x5h h ILE 99 Ca -0.32 -0.09 0.00 0.00 1.08 0.00 0.00 64.86 65.53 1x5h h ILE 99 Cb 1.24 0.59 0.00 0.00 -1.09 0.00 0.00 36.82 37.56 1x5h h ILE 99 CO 0.48 0.05 0.00 0.78 -1.08 0.00 0.00 178.15 178.38 1x5h h ASN 100 N 0.27 0.00 0.00 2.19 4.21 -1.92 -3.48 115.58 116.85 1x5h h ASN 100 Ca 0.23 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.74 1x5h h ASN 100 Cb 0.56 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.76 1x5h h ASN 100 CO -0.05 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.70 1x5h n GLY 101 N -0.46 0.41 3.82 2.83 0.00 0.72 -4.61 105.19 107.89 1x5h n GLY 101 Ca -0.00 -0.96 -0.22 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.21 2.69 0.49 2.61 -4.23 -1.26 -1.39 115.64 113.34 1x5h s THR 102 Ca 0.00 -1.48 0.02 0.00 -1.18 0.00 0.00 61.69 59.05 1x5h s THR 102 Cb 0.00 -3.02 -0.01 0.00 1.34 0.00 0.00 72.50 70.81 1x5h s THR 102 CO 0.00 -0.04 0.04 -0.83 -0.54 0.00 0.00 174.62 173.25 1x5h s GLY 103 N -4.02 2.95 0.57 3.99 0.00 0.15 -4.15 107.32 106.80 1x5h s GLY 103 Ca 0.44 -0.51 -0.19 0.00 0.00 0.00 0.00 44.72 44.46 1x5h s GLY 103 CO 0.26 -2.09 1.13 2.56 0.00 0.00 0.00 173.10 174.95 1x5h s PRO 104 N -3.83 3.25 -0.16 2.90 0.04 -1.25 -4.58 135.00 131.37 1x5h s PRO 104 Ca 0.09 1.57 -0.04 0.00 0.04 0.00 0.00 61.00 62.66 1x5h s PRO 104 Cb 0.01 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 1x5h s PRO 104 CO 0.06 -0.93 -0.03 0.00 0.04 0.00 0.00 177.00 176.15 1x5h s ALA 105 N -1.88 3.05 1.04 8.56 0.00 -1.26 -3.63 121.76 127.64 1x5h s ALA 105 Ca 0.72 -0.81 -0.17 0.00 0.00 0.00 0.00 51.96 51.69 1x5h s ALA 105 Cb -0.23 -1.60 0.03 0.00 0.00 0.00 0.00 23.12 21.33 1x5h s ALA 105 CO 0.30 0.22 -0.08 0.25 0.00 0.00 0.00 175.76 176.45 1x5h n THR 106 N 3.51 0.00 -0.50 0.00 -2.24 0.36 -4.87 114.28 110.53 1x5h n THR 106 Ca -0.17 -0.25 -0.29 0.00 -2.27 0.00 0.00 64.05 61.07 1x5h n THR 106 Cb 0.52 -0.51 0.25 0.00 -2.10 0.00 0.00 70.33 68.49 1x5h n THR 106 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1x5h n ASP 107 N -0.68 -2.02 -4.56 3.42 2.03 -1.26 -4.58 116.55 108.91 1x5h n ASP 107 Ca 0.02 -0.20 -0.41 0.00 0.52 0.00 0.00 54.79 54.72 1x5h n ASP 107 Cb 0.60 -1.18 -0.03 0.00 -0.72 0.00 0.00 41.12 39.79 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 -2.35 2.50 -0.42 -0.67 0.52 -1.26 -4.56 118.94 112.70 1x5h s TRP 108 Ca 0.66 -0.73 -0.25 0.00 0.02 0.00 0.00 56.10 55.80 1x5h s TRP 108 Cb -0.23 -4.69 0.02 0.00 -1.15 0.00 0.00 33.47 27.43 1x5h s TRP 108 CO 0.66 -1.96 0.87 -1.17 0.02 0.00 0.00 176.95 175.37 1x5h s LEU 109 N 5.07 4.07 0.03 2.99 2.96 -1.06 -4.85 118.68 127.89 1x5h s LEU 109 Ca 0.44 0.22 -0.18 0.00 -0.22 0.00 0.00 54.13 54.39 1x5h s LEU 109 Cb -0.01 -3.13 -0.06 0.00 0.50 0.00 0.00 46.19 43.49 1x5h s LEU 109 CO -0.06 -0.92 0.52 -0.44 -1.32 0.00 0.00 176.35 174.13 1x5h s SER 110 N 2.08 6.96 -0.04 3.68 0.01 -1.26 -1.83 113.70 123.30 1x5h s SER 110 Ca 0.35 1.14 0.01 0.00 1.31 0.00 0.00 55.95 58.76 1x5h s SER 110 Cb -0.11 -2.33 0.02 0.00 0.21 0.00 0.00 66.02 63.81 1x5h s SER 110 CO 0.22 0.25 -0.04 0.00 0.41 0.00 0.00 173.24 174.08 1x5h s ALA 111 N -0.86 0.62 -0.37 1.44 0.00 0.97 -4.90 121.76 118.66 1x5h s ALA 111 Ca 0.28 -0.05 -0.15 0.00 0.00 0.00 0.00 51.96 52.03 1x5h s ALA 111 Cb -0.18 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.56 1x5h s ALA 111 CO 0.17 0.01 0.35 -2.00 0.00 0.00 0.00 175.76 174.28 1x5h s GLU 112 N 0.79 3.33 1.08 0.00 2.12 -1.26 -0.73 118.70 124.02 1x5h s GLU 112 Ca -0.10 -0.66 -0.12 0.00 0.36 0.00 0.00 54.97 54.45 1x5h s GLU 112 Cb -0.13 -3.88 0.24 0.00 0.26 0.00 0.00 34.13 30.62 1x5h s GLU 112 CO 0.00 -0.63 1.07 0.95 -0.54 0.00 0.00 175.26 176.11 1x5h s THR 113 N 1.93 2.06 -0.04 -1.70 -4.23 -1.22 -4.90 115.64 107.54 1x5h s THR 113 Ca 0.09 0.02 -0.30 0.00 -1.18 0.00 0.00 61.69 60.33 1x5h s THR 113 Cb -0.17 -2.08 -0.03 0.00 1.34 0.00 0.00 72.50 71.55 1x5h s THR 113 CO 0.12 -0.03 1.17 -0.36 -0.54 0.00 0.00 174.62 174.98 1x5h s PHE 114 N -2.54 3.29 0.62 3.99 0.08 -1.26 -3.42 117.98 118.73 1x5h s PHE 114 Ca 0.68 1.29 0.25 0.00 0.12 0.00 0.00 56.93 59.26 1x5h s PHE 114 Cb -0.24 -3.38 1.12 0.00 -0.57 0.00 0.00 43.02 39.94 1x5h s PHE 114 CO 0.62 -1.14 1.57 0.93 -0.10 0.00 0.00 175.22 177.11 1x5h h GLU 115 N 7.28 0.00 -3.34 0.44 5.08 -1.91 -3.30 114.58 118.82 1x5h h GLU 115 Ca -0.36 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.85 1x5h h GLU 115 Cb 1.17 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.20 1x5h h GLU 115 CO 0.86 0.00 -0.46 0.45 -1.00 0.00 0.00 179.01 178.86 1x5h s SER 116 N -4.18 -0.10 0.23 1.42 0.15 -1.26 -4.60 113.70 105.36 1x5h s SER 116 Ca -0.03 0.08 -0.07 0.00 0.70 0.00 0.00 55.95 56.63 1x5h s SER 116 Cb 0.12 0.30 0.35 0.00 -1.71 0.00 0.00 66.02 65.08 1x5h s SER 116 CO 0.41 -0.26 1.77 0.44 1.20 0.00 0.00 173.24 176.79 1x5h h ASP 117 N 4.83 0.42 -0.61 5.45 5.19 -1.97 -3.37 116.42 126.35 1x5h h ASP 117 Ca -0.29 0.07 -0.11 0.00 -0.62 0.00 0.00 57.03 56.08 1x5h h ASP 117 Cb 1.19 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.70 1x5h h ASP 117 CO 0.39 0.23 0.36 -0.22 -3.12 0.00 0.00 179.24 176.88 1x5h s LEU 118 N -10.35 2.98 -0.22 1.55 1.98 -1.26 -4.77 118.68 108.60 1x5h s LEU 118 Ca -0.13 0.14 -0.06 0.00 -2.89 0.00 0.00 54.13 51.20 1x5h s LEU 118 Cb 0.18 -2.54 -0.03 0.00 0.66 0.00 0.00 46.19 44.46 1x5h s LEU 118 CO 0.76 -3.61 0.03 -1.81 -1.89 0.00 0.00 176.35 169.83 1x5h s ASP 119 N 10.77 4.96 -0.77 3.68 1.01 -1.26 -5.06 116.67 130.01 1x5h s ASP 119 Ca 0.91 -0.19 -0.14 0.00 0.71 0.00 0.00 52.55 53.84 1x5h s ASP 119 Cb -0.13 -1.86 0.20 0.00 1.01 0.00 0.00 42.92 42.14 1x5h s ASP 119 CO 0.10 0.03 0.70 -0.70 0.21 0.00 0.00 175.17 175.52 1x5h s GLU 120 N 1.19 3.44 -0.29 8.23 2.12 -1.26 -4.99 118.70 127.14 1x5h s GLU 120 Ca 0.04 -2.34 0.00 0.00 0.36 0.00 0.00 54.97 53.03 1x5h s GLU 120 Cb -0.14 -4.37 0.09 0.00 0.26 0.00 0.00 34.13 29.97 1x5h s GLU 120 CO 0.02 -1.29 0.06 0.99 -0.54 0.00 0.00 175.26 174.50 1x5h s THR 121 N 0.39 1.20 0.19 -1.70 2.01 -1.26 -5.10 115.64 111.37 1x5h s THR 121 Ca 0.15 -1.47 -0.33 0.00 0.31 0.00 0.00 61.69 60.35 1x5h s THR 121 Cb -0.14 -1.82 -0.13 0.00 0.01 0.00 0.00 72.50 70.42 1x5h s THR 121 CO -0.07 -0.54 1.66 -2.11 -0.69 0.00 0.00 174.62 172.88 1x5h n ARG 122 N 4.73 2.52 -3.54 4.92 1.85 -1.26 -4.97 116.66 120.91 1x5h n ARG 122 Ca -0.03 0.91 -0.37 0.00 -1.00 0.00 0.00 57.85 57.36 1x5h n ARG 122 Cb 0.43 -2.72 -0.08 0.00 -1.05 0.00 0.00 32.46 29.03 1x5h n ARG 122 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1x5h s VAL 123 N 1.06 5.29 0.85 8.89 1.01 -1.26 -5.08 120.40 131.16 1x5h s VAL 123 Ca 0.77 0.44 -0.11 0.00 0.00 0.00 0.00 61.98 63.07 1x5h s VAL 123 Cb -0.58 -3.61 0.10 0.00 0.00 0.00 0.00 36.38 32.30 1x5h s VAL 123 CO 0.35 0.32 1.09 -2.16 0.00 0.00 0.00 175.10 174.70 1x5h s PRO 124 N 1.01 1.63 -0.41 2.72 0.04 -1.26 -5.01 135.00 133.71 1x5h s PRO 124 Ca 0.13 0.95 -0.13 0.00 0.04 0.00 0.00 61.00 61.99 1x5h s PRO 124 Cb -0.14 -1.84 0.04 0.00 0.04 0.00 0.00 34.50 32.60 1x5h s PRO 124 CO 0.05 -2.02 0.28 -2.00 0.04 0.00 0.00 177.00 173.35 1x5h s GLU 125 N -4.92 2.88 -0.07 4.56 2.12 -1.26 -5.04 118.70 116.96 1x5h s GLU 125 Ca 0.63 -1.15 -0.03 0.00 0.36 0.00 0.00 54.97 54.78 1x5h s GLU 125 Cb -0.18 -3.90 0.04 0.00 0.26 0.00 0.00 34.13 30.35 1x5h s GLU 125 CO 0.57 -0.81 0.13 0.54 -0.54 0.00 0.00 175.26 175.15 1x5h s VAL 126 N 1.60 -0.20 0.35 3.70 0.11 -1.26 -5.16 120.40 119.55 1x5h s VAL 126 Ca 0.04 0.36 0.04 0.00 -2.93 0.00 0.00 61.98 59.48 1x5h s VAL 126 Cb -0.20 -0.25 -0.01 0.00 -1.53 0.00 0.00 36.38 34.39 1x5h s VAL 126 CO 0.07 0.15 0.51 -0.55 -3.33 0.00 0.00 175.10 171.95 1x5h s SER 127 N 2.13 6.01 -0.01 3.54 0.15 -1.26 -5.12 113.70 119.14 1x5h s SER 127 Ca 0.02 0.02 0.01 0.00 0.70 0.00 0.00 55.95 56.70 1x5h s SER 127 Cb -0.12 -1.47 0.01 0.00 -1.71 0.00 0.00 66.02 62.73 1x5h s SER 127 CO -0.05 -0.44 -0.01 -0.83 1.20 0.00 0.00 173.24 173.12 1x5h s GLY 128 N -4.14 0.15 0.24 9.45 0.00 -1.26 -5.16 107.32 106.60 1x5h s GLY 128 Ca 0.44 0.05 -0.04 0.00 0.00 0.00 0.00 44.72 45.17 1x5h s GLY 128 CO 0.33 0.26 0.21 -1.55 0.00 0.00 0.00 173.10 172.35 1x5h n PRO 129 N 3.57 -1.42 -4.35 2.90 -0.04 -1.26 -5.09 135.00 129.30 1x5h n PRO 129 Ca -0.20 -0.33 -0.18 0.00 -0.04 0.00 0.00 63.50 62.75 1x5h n PRO 129 Cb 0.55 -0.31 -0.10 0.00 -0.04 0.00 0.00 33.50 33.59 1x5h n PRO 129 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x5h s SER 130 N -2.07 2.23 -0.04 3.54 1.04 -1.26 -5.15 113.70 111.99 1x5h s SER 130 Ca 0.14 -1.15 0.00 0.00 0.48 0.00 0.00 55.95 55.42 1x5h s SER 130 Cb -0.01 -0.07 -0.03 0.00 0.10 0.00 0.00 66.02 66.00 1x5h s SER 130 CO 0.10 -0.38 -0.00 -0.44 0.98 0.00 0.00 173.24 173.50 1x5h s SER 131 N -3.33 5.15 0.00 7.02 0.01 -1.26 -5.38 113.70 115.91 1x5h s SER 131 Ca 0.26 0.06 0.13 0.00 1.31 0.00 0.00 55.95 57.71 1x5h s SER 131 Cb 0.04 -1.39 0.10 0.00 0.21 0.00 0.00 66.02 64.98 1x5h s SER 131 CO 0.08 0.32 0.90 0.61 0.41 0.00 0.00 173.24 175.57