#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 -0.07 0.06 1.61 0.15 -1.26 -5.19 113.70 109.00 1x5h s SER 2 Ca 0.00 -0.40 -0.27 0.00 0.70 0.00 0.00 55.95 55.98 1x5h s SER 2 Cb 0.00 0.37 0.10 0.00 -1.71 0.00 0.00 66.02 64.77 1x5h s SER 2 CO 0.00 -0.71 1.18 -0.94 1.20 0.00 0.00 173.24 173.97 1x5h s SER 3 N -3.20 -0.04 -0.30 5.45 1.04 -1.26 -5.18 113.70 110.21 1x5h s SER 3 Ca 0.18 -0.32 -0.17 0.00 0.48 0.00 0.00 55.95 56.12 1x5h s SER 3 Cb -0.00 0.29 0.20 0.00 0.10 0.00 0.00 66.02 66.61 1x5h s SER 3 CO 0.01 -0.55 1.26 -0.83 0.98 0.00 0.00 173.24 174.11 1x5h s GLY 4 N -3.29 0.49 -0.02 7.32 0.00 -1.26 -5.18 107.32 105.37 1x5h s GLY 4 Ca 0.20 3.75 -0.30 0.00 0.00 0.00 0.00 44.72 48.38 1x5h s GLY 4 CO 0.00 2.99 0.97 -0.56 0.00 0.00 0.00 173.10 176.50 1x5h s SER 5 N 1.42 -0.29 0.01 1.64 0.01 -1.26 -5.19 113.70 110.04 1x5h s SER 5 Ca -0.05 -0.05 -0.28 0.00 1.31 0.00 0.00 55.95 56.88 1x5h s SER 5 Cb -0.02 0.34 0.09 0.00 0.21 0.00 0.00 66.02 66.65 1x5h s SER 5 CO -0.12 -0.57 0.80 -0.55 0.41 0.00 0.00 173.24 173.21 1x5h s SER 6 N -2.50 -0.46 0.00 2.44 0.15 -1.26 -5.18 113.70 106.89 1x5h s SER 6 Ca 0.07 0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.88 1x5h s SER 6 Cb -0.01 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 1x5h s SER 6 CO -0.07 -0.67 0.00 0.61 1.20 0.00 0.00 173.24 174.32 1x5h n GLY 7 N 0.03 1.72 3.53 9.45 0.00 -1.26 -5.16 105.19 113.49 1x5h n GLY 7 Ca -0.13 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1x5h n GLY 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x5h s ASP 8 N 0.00 -0.85 -0.03 1.61 -1.08 -1.26 -5.16 116.67 109.90 1x5h s ASP 8 Ca 0.00 1.18 0.01 0.00 -0.52 0.00 0.00 52.55 53.22 1x5h s ASP 8 Cb 0.00 1.95 0.02 0.00 -1.46 0.00 0.00 42.92 43.44 1x5h s ASP 8 CO 0.00 -0.17 -0.01 -0.69 0.52 0.00 0.00 175.17 174.83 1x5h s VAL 9 N 2.63 0.22 0.29 1.11 1.01 -1.26 -5.15 120.40 119.26 1x5h s VAL 9 Ca -0.04 0.04 -0.20 0.00 0.00 0.00 0.00 61.98 61.77 1x5h s VAL 9 Cb -0.09 -0.30 0.05 0.00 0.00 0.00 0.00 36.38 36.05 1x5h s VAL 9 CO -0.18 0.14 0.84 0.00 0.00 0.00 0.00 175.10 175.90 1x5h s ALA 10 N 0.87 -1.16 -0.04 5.51 0.00 -1.26 -5.18 121.76 120.50 1x5h s ALA 10 Ca -0.09 -0.43 -0.08 0.00 0.00 0.00 0.00 51.96 51.36 1x5h s ALA 10 Cb -0.12 0.73 0.01 0.00 0.00 0.00 0.00 23.12 23.74 1x5h s ALA 10 CO -0.01 -1.02 0.19 0.08 0.00 0.00 0.00 175.76 175.00 1x5h s VAL 11 N -2.86 0.04 -0.37 0.00 1.01 -1.26 -5.07 120.40 111.90 1x5h s VAL 11 Ca 0.15 -0.32 0.11 0.00 0.00 0.00 0.00 61.98 61.92 1x5h s VAL 11 Cb -0.04 -0.39 0.45 0.00 0.00 0.00 0.00 36.38 36.40 1x5h s VAL 11 CO 0.08 -0.18 1.07 0.54 0.00 0.00 0.00 175.10 176.61 1x5h n ARG 12 N 2.18 2.58 -4.58 2.72 1.74 -1.26 -5.06 116.66 114.98 1x5h n ARG 12 Ca -0.18 -3.98 -0.34 0.00 -0.77 0.00 0.00 57.85 52.59 1x5h n ARG 12 Cb 0.57 -1.88 -0.11 0.00 -1.02 0.00 0.00 32.46 30.02 1x5h n ARG 12 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1x5h s THR 13 N -4.49 3.77 0.14 0.55 -4.23 -1.26 -5.12 115.64 104.99 1x5h s THR 13 Ca 0.40 -0.48 0.11 0.00 -1.18 0.00 0.00 61.69 60.53 1x5h s THR 13 Cb 0.41 -2.56 -0.04 0.00 1.34 0.00 0.00 72.50 71.66 1x5h s THR 13 CO -0.07 0.58 -0.25 -1.48 -0.54 0.00 0.00 174.62 172.85 1x5h s LEU 14 N -0.89 2.34 0.07 4.79 2.34 -1.26 -5.13 118.68 120.95 1x5h s LEU 14 Ca 0.13 -0.77 -0.27 0.00 0.06 0.00 0.00 54.13 53.28 1x5h s LEU 14 Cb -0.11 -1.15 0.09 0.00 -0.56 0.00 0.00 46.19 44.46 1x5h s LEU 14 CO 0.02 0.14 1.13 -0.55 -1.06 0.00 0.00 176.35 176.04 1x5h s SER 15 N -2.17 -0.10 -0.09 1.48 0.15 -1.26 -5.06 113.70 106.65 1x5h s SER 15 Ca 0.14 -0.29 -0.27 0.00 0.70 0.00 0.00 55.95 56.23 1x5h s SER 15 Cb -0.09 0.32 -0.23 0.00 -1.71 0.00 0.00 66.02 64.31 1x5h s SER 15 CO 0.06 -0.60 0.98 0.44 1.20 0.00 0.00 173.24 175.33 1x5h h ASP 16 N 2.00 -0.01 -4.03 5.45 3.32 -1.98 -3.45 116.42 117.72 1x5h h ASP 16 Ca -0.27 -0.74 -0.52 0.00 0.02 0.00 0.00 57.03 55.52 1x5h h ASP 16 Cb 1.21 0.00 0.08 0.00 0.22 0.00 0.00 39.33 40.85 1x5h h ASP 16 CO 0.28 0.75 0.50 0.68 -1.72 0.00 0.00 179.24 179.73 1x5h s VAL 17 N -3.14 2.86 0.38 -1.35 -7.23 -1.26 -4.78 120.40 105.88 1x5h s VAL 17 Ca -0.17 0.63 -0.26 0.00 -1.81 0.00 0.00 61.98 60.37 1x5h s VAL 17 Cb -0.01 -3.31 -0.09 0.00 0.56 0.00 0.00 36.38 33.54 1x5h s VAL 17 CO 0.67 -0.03 1.20 -2.16 -0.31 0.00 0.00 175.10 174.47 1x5h s PRO 18 N -2.85 4.12 -0.27 4.82 0.04 -1.25 -4.96 135.00 134.64 1x5h s PRO 18 Ca 0.67 1.92 0.09 0.00 0.04 0.00 0.00 61.00 63.71 1x5h s PRO 18 Cb -0.31 -2.77 0.45 0.00 0.04 0.00 0.00 34.50 31.92 1x5h s PRO 18 CO 0.36 -0.29 1.30 0.45 0.04 0.00 0.00 177.00 178.87 1x5h n SER 19 N 0.24 3.11 -3.99 6.66 2.88 -1.26 -4.02 113.62 117.23 1x5h n SER 19 Ca 0.03 -3.83 -0.19 0.00 -1.33 0.00 0.00 58.87 53.55 1x5h n SER 19 Cb 0.45 -0.51 -0.15 0.00 -0.75 0.00 0.00 64.21 63.25 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 -3.38 0.76 0.39 -1.46 0.00 -1.26 -4.90 121.76 111.91 1x5h s ALA 20 Ca 0.45 -0.31 0.08 0.00 0.00 0.00 0.00 51.96 52.17 1x5h s ALA 20 Cb 0.40 -0.26 -0.05 0.00 0.00 0.00 0.00 23.12 23.20 1x5h s ALA 20 CO -0.02 0.14 0.14 0.00 0.00 0.00 0.00 175.76 176.02 1x5h s ALA 21 N 0.08 3.48 0.43 0.00 0.00 -1.26 -4.32 121.76 120.17 1x5h s ALA 21 Ca -0.01 -2.08 -0.24 0.00 0.00 0.00 0.00 51.96 49.63 1x5h s ALA 21 Cb -0.07 -0.37 -0.08 0.00 0.00 0.00 0.00 23.12 22.61 1x5h s ALA 21 CO 0.00 -0.11 1.18 -1.25 0.00 0.00 0.00 175.76 175.58 1x5h s PRO 22 N -3.85 3.89 0.55 0.00 0.04 -1.26 -4.21 135.00 130.16 1x5h s PRO 22 Ca 0.39 1.83 0.05 0.00 0.04 0.00 0.00 61.00 63.31 1x5h s PRO 22 Cb 0.03 -2.54 0.05 0.00 0.04 0.00 0.00 34.50 32.08 1x5h s PRO 22 CO 0.22 -0.45 0.43 1.04 0.04 0.00 0.00 177.00 178.27 1x5h n GLN 23 N -0.22 0.68 -3.44 4.56 3.00 0.05 -4.67 117.38 117.35 1x5h n GLN 23 Ca 0.06 -3.42 -0.25 0.00 -0.01 0.00 0.00 57.00 53.38 1x5h n GLN 23 Cb 0.47 0.34 0.02 0.00 0.00 0.00 0.00 30.24 31.07 1x5h n GLN 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1x5h n ASN 24 N -1.85 -4.84 -4.74 1.08 3.02 -1.26 -0.18 115.26 106.48 1x5h n ASN 24 Ca -0.01 -0.48 -0.41 0.00 -0.03 0.00 0.00 54.58 53.65 1x5h n ASN 24 Cb 0.62 -3.92 -0.02 0.00 -0.61 0.00 0.00 39.78 35.85 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 -6.81 4.38 0.06 3.41 2.96 -1.26 -4.31 118.68 117.11 1x5h s LEU 25 Ca 0.46 2.67 -0.11 0.00 -0.22 0.00 0.00 54.13 56.93 1x5h s LEU 25 Cb -0.23 -3.62 0.01 0.00 0.50 0.00 0.00 46.19 42.85 1x5h s LEU 25 CO 0.57 -0.71 0.23 -0.94 -1.32 0.00 0.00 176.35 174.18 1x5h s SER 26 N 0.38 0.00 -0.36 3.68 1.04 0.24 -4.98 113.70 113.71 1x5h s SER 26 Ca 0.60 -0.40 0.01 0.00 0.48 0.00 0.00 55.95 56.63 1x5h s SER 26 Cb -0.42 0.33 0.11 0.00 0.10 0.00 0.00 66.02 66.15 1x5h s SER 26 CO 0.43 -0.64 0.14 -0.76 0.98 0.00 0.00 173.24 173.40 1x5h s LEU 27 N -2.34 2.56 -0.98 2.42 1.43 -1.26 -0.25 118.68 120.26 1x5h s LEU 27 Ca -0.02 -2.03 -0.21 0.00 -1.03 0.00 0.00 54.13 50.85 1x5h s LEU 27 Cb 0.01 -0.97 0.09 0.00 0.03 0.00 0.00 46.19 45.35 1x5h s LEU 27 CO -0.06 -0.36 1.29 -0.70 0.23 0.00 0.00 176.35 176.75 1x5h s GLU 28 N 1.12 3.60 -0.29 1.70 -6.30 0.13 -4.86 118.70 113.80 1x5h s GLU 28 Ca 0.13 -1.46 -0.33 0.00 -2.50 0.00 0.00 54.97 50.81 1x5h s GLU 28 Cb -0.20 -5.14 -0.10 0.00 0.00 0.00 0.00 34.13 28.69 1x5h s GLU 28 CO -0.14 -1.99 2.16 0.28 0.02 0.00 0.00 175.26 175.59 1x5h n VAL 29 N 6.18 0.27 -0.05 3.70 0.31 -1.26 -1.54 118.33 125.93 1x5h n VAL 29 Ca 0.29 -0.29 -0.16 0.00 -0.01 0.00 0.00 64.34 64.16 1x5h n VAL 29 Cb 0.50 -1.90 -0.13 0.00 -0.91 0.00 0.00 33.84 31.40 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 12.68 0.06 -4.68 5.55 2.47 -1.89 -3.46 114.38 125.12 1x5h h ARG 30 Ca -0.33 -0.11 -0.36 0.00 -1.26 0.00 0.00 59.98 57.91 1x5h h ARG 30 Cb 1.30 0.04 -0.13 0.00 -1.65 0.00 0.00 29.97 29.53 1x5h h ARG 30 CO 1.00 1.05 -0.48 -0.80 0.56 0.00 0.00 179.97 181.29 1x5h s ASN 31 N -6.44 1.07 0.00 7.04 0.01 -0.94 -4.98 114.94 110.69 1x5h s ASN 31 Ca -0.19 -1.59 0.23 0.00 -0.71 0.00 0.00 52.86 50.60 1x5h s ASN 31 Cb -0.01 0.52 1.24 0.00 0.41 0.00 0.00 41.25 43.41 1x5h s ASN 31 CO 0.71 -1.02 1.74 -1.54 -1.51 0.00 0.00 177.10 175.47 1x5h n SER 32 N -1.10 0.00 0.00 -1.22 3.41 -1.26 -2.85 113.62 110.59 1x5h n SER 32 Ca 0.05 -0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.32 1x5h n SER 32 Cb 0.63 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 1x5h n SER 32 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1x5h n LYS 33 N -1.16 3.12 -4.35 4.33 2.85 -1.26 -2.77 118.16 118.92 1x5h n LYS 33 Ca 0.14 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 57.20 1x5h n LYS 33 Cb 0.13 -0.69 -0.10 0.00 -0.65 0.00 0.00 35.03 33.73 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 -1.27 2.64 -0.14 -5.58 0.15 -1.13 0.13 113.70 108.50 1x5h s SER 34 Ca 0.00 -0.97 -0.06 0.00 0.70 0.00 0.00 55.95 55.61 1x5h s SER 34 Cb 0.00 -0.15 0.06 0.00 -1.71 0.00 0.00 66.02 64.22 1x5h s SER 34 CO 0.00 -0.12 0.30 -0.63 1.20 0.00 0.00 173.24 173.99 1x5h s ILE 35 N -2.69 -0.25 0.06 6.45 1.01 -0.25 -2.20 121.20 123.33 1x5h s ILE 35 Ca 0.21 0.19 -0.26 0.00 0.00 0.00 0.00 60.65 60.79 1x5h s ILE 35 Cb -0.02 -0.48 -0.06 0.00 0.01 0.00 0.00 42.46 41.91 1x5h s ILE 35 CO 0.07 0.08 0.79 -0.32 0.00 0.00 0.00 174.94 175.56 1x5h s MET 36 N 1.86 4.52 -0.19 2.79 -2.45 -0.59 -1.52 119.30 123.72 1x5h s MET 36 Ca -0.05 1.11 -0.03 0.00 -1.25 0.00 0.00 55.69 55.47 1x5h s MET 36 Cb -0.11 -3.36 -0.01 0.00 1.25 0.00 0.00 34.83 32.60 1x5h s MET 36 CO -0.10 0.30 -0.05 0.42 1.05 0.00 0.00 175.02 176.64 1x5h s ILE 37 N -0.14 3.45 -0.21 10.11 1.01 0.26 0.18 121.20 135.86 1x5h s ILE 37 Ca 0.39 -0.49 0.02 0.00 0.00 0.00 0.00 60.65 60.57 1x5h s ILE 37 Cb -0.21 -2.54 0.04 0.00 0.01 0.00 0.00 42.46 39.76 1x5h s ILE 37 CO 0.24 0.45 -0.14 -1.00 0.00 0.00 0.00 174.94 174.49 1x5h s HIS 38 N 1.04 2.80 0.08 3.97 3.76 0.65 -2.22 115.29 125.37 1x5h s HIS 38 Ca 0.01 -1.82 0.03 0.00 -0.15 0.00 0.00 55.06 53.13 1x5h s HIS 38 Cb -0.15 -1.83 -0.03 0.00 1.11 0.00 0.00 32.58 31.68 1x5h s HIS 38 CO -0.00 -0.81 -0.09 1.67 -0.85 0.00 0.00 174.74 174.66 1x5h s TRP 39 N 1.27 0.97 0.10 1.40 -2.14 -1.15 0.81 118.94 120.20 1x5h s TRP 39 Ca -0.01 -0.65 0.06 0.00 2.66 0.00 0.00 56.10 58.16 1x5h s TRP 39 Cb -0.16 -0.54 -0.04 0.00 -3.10 0.00 0.00 33.47 29.63 1x5h s TRP 39 CO -0.09 -0.03 -0.04 -0.65 -2.66 0.00 0.00 176.95 173.47 1x5h s GLN 40 N -2.61 2.36 0.47 3.25 1.11 0.75 -4.75 119.66 120.24 1x5h s GLN 40 Ca 0.03 -0.92 -0.23 0.00 0.01 0.00 0.00 55.36 54.25 1x5h s GLN 40 Cb -0.04 -2.44 -0.07 0.00 -1.01 0.00 0.00 33.01 29.45 1x5h s GLN 40 CO -0.00 0.53 1.16 -1.25 0.01 0.00 0.00 175.29 175.73 1x5h s PRO 41 N -2.26 3.72 0.98 2.91 0.04 -1.26 -0.77 135.00 138.36 1x5h s PRO 41 Ca 0.24 1.76 -0.12 0.00 0.04 0.00 0.00 61.00 62.92 1x5h s PRO 41 Cb -0.11 -2.37 0.18 0.00 0.04 0.00 0.00 34.50 32.23 1x5h s PRO 41 CO 0.16 -0.58 1.09 -1.25 0.04 0.00 0.00 177.00 176.46 1x5h s PRO 42 N -2.75 0.60 0.72 0.56 0.04 -1.26 -4.54 135.00 128.36 1x5h s PRO 42 Ca 0.64 0.58 -0.16 0.00 0.04 0.00 0.00 61.00 62.11 1x5h s PRO 42 Cb -0.28 -1.75 0.01 0.00 0.04 0.00 0.00 34.50 32.51 1x5h s PRO 42 CO 0.34 -2.63 0.98 0.00 0.04 0.00 0.00 177.00 175.73 1x5h n ALA 43 N -4.12 -0.18 -0.08 8.56 0.00 -1.26 -4.86 120.51 118.57 1x5h n ALA 43 Ca 0.06 -0.18 -0.13 0.00 0.00 0.00 0.00 53.44 53.18 1x5h n ALA 43 Cb 0.57 -2.13 -0.05 0.00 0.00 0.00 0.00 19.45 17.84 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 -0.23 0.60 -0.77 0.00 0.13 -1.94 -2.40 132.00 127.40 1x5h h PRO 44 Ca -0.47 -0.31 0.12 0.00 -0.87 0.00 0.00 66.00 64.46 1x5h h PRO 44 Cb 1.33 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.39 1x5h h PRO 44 CO 0.47 0.91 0.37 0.00 -0.23 0.00 0.00 178.00 179.53 1x5h h ALA 45 N 0.68 1.10 -0.26 -0.56 0.00 -2.04 -1.83 119.26 116.35 1x5h h ALA 45 Ca 0.04 0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 1x5h h ALA 45 Cb 0.80 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1x5h h ALA 45 CO 0.06 -0.08 -0.50 1.79 0.00 0.00 0.00 179.25 180.52 1x5h h THR 46 N 0.59 1.29 -0.49 0.00 1.35 -1.94 -3.43 112.91 110.28 1x5h h THR 46 Ca 0.40 -1.69 -0.58 0.00 -0.55 0.00 0.00 66.41 63.99 1x5h h THR 46 Cb 0.51 1.71 -0.05 0.00 -1.73 0.00 0.00 68.15 68.58 1x5h h THR 46 CO -0.32 0.54 1.59 0.00 -0.25 0.00 0.00 175.52 177.08 1x5h n GLN 47 N -4.09 0.39 -0.68 4.72 6.02 -0.69 -4.76 117.38 118.29 1x5h n GLN 47 Ca -0.05 0.06 -0.11 0.00 -0.01 0.00 0.00 57.00 56.89 1x5h n GLN 47 Cb 0.60 -2.02 0.04 0.00 1.02 0.00 0.00 30.24 29.87 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 10.72 5.36 0.00 1.08 3.02 -1.26 -4.89 115.26 129.28 1x5h n ASN 48 Ca 0.54 -2.79 0.00 0.00 -0.03 0.00 0.00 54.58 52.30 1x5h n ASN 48 Cb 0.14 -0.95 0.00 0.00 -0.61 0.00 0.00 39.78 38.36 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 0.48 3.67 3.76 7.41 0.00 -1.26 -4.86 105.19 114.39 1x5h n GLY 49 Ca 0.21 -1.59 -0.41 0.00 0.00 0.00 0.00 46.02 44.23 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 -2.41 4.32 0.17 1.61 -2.07 -1.26 -4.99 119.66 115.03 1x5h s GLN 50 Ca 0.00 2.26 -0.29 0.00 -1.82 0.00 0.00 55.36 55.51 1x5h s GLN 50 Cb 0.00 -3.08 -0.07 0.00 -1.09 0.00 0.00 33.01 28.77 1x5h s GLN 50 CO 0.00 -0.26 0.91 0.42 -1.32 0.00 0.00 175.29 175.03 1x5h s ILE 51 N -0.86 4.32 -0.11 3.63 1.01 -1.26 -4.21 121.20 123.72 1x5h s ILE 51 Ca 0.52 1.99 0.15 0.00 0.00 0.00 0.00 60.65 63.30 1x5h s ILE 51 Cb -0.41 -4.28 -0.21 0.00 0.01 0.00 0.00 42.46 37.57 1x5h s ILE 51 CO 0.51 0.43 0.16 0.35 0.00 0.00 0.00 174.94 176.39 1x5h n THR 52 N 2.07 0.70 0.00 2.92 -2.24 -0.09 -4.70 114.28 112.94 1x5h n THR 52 Ca -0.01 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 1x5h n THR 52 Cb 0.48 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 1x5h n THR 52 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x5h n GLY 53 N 1.88 0.28 3.40 3.38 0.00 -1.20 -1.26 105.19 111.65 1x5h n GLY 53 Ca -0.18 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.59 1x5h n GLY 53 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x5h s TYR 54 N -2.00 2.32 -0.43 1.61 1.51 -1.24 0.03 117.35 119.15 1x5h s TYR 54 Ca 0.00 -0.37 -0.06 0.00 -1.01 0.00 0.00 57.07 55.63 1x5h s TYR 54 Cb 0.00 -1.24 0.11 0.00 -0.11 0.00 0.00 41.96 40.71 1x5h s TYR 54 CO 0.00 0.35 0.25 0.21 -1.11 0.00 0.00 175.55 175.25 1x5h s LYS 55 N -2.11 2.23 -0.43 -0.62 2.20 0.95 -1.63 119.74 120.34 1x5h s LYS 55 Ca 0.15 -1.75 -0.21 0.00 -0.36 0.00 0.00 55.97 53.80 1x5h s LYS 55 Cb -0.10 -3.70 0.02 0.00 -1.51 0.00 0.00 37.83 32.54 1x5h s LYS 55 CO 0.06 -1.09 0.66 0.42 -0.36 0.00 0.00 175.35 175.05 1x5h s ILE 56 N 1.25 4.81 0.05 5.43 1.01 0.15 -2.47 121.20 131.43 1x5h s ILE 56 Ca 0.06 0.22 0.08 0.00 0.00 0.00 0.00 60.65 61.01 1x5h s ILE 56 Cb -0.24 -4.21 -0.03 0.00 0.01 0.00 0.00 42.46 37.99 1x5h s ILE 56 CO -0.02 -0.58 -0.21 -0.13 0.00 0.00 0.00 174.94 174.00 1x5h s ARG 57 N 2.87 1.94 0.06 2.79 0.52 -0.40 -2.27 118.95 124.46 1x5h s ARG 57 Ca 0.24 -1.05 -0.09 0.00 -0.52 0.00 0.00 55.73 54.31 1x5h s ARG 57 Cb -0.14 -2.11 0.00 0.00 0.52 0.00 0.00 34.95 33.23 1x5h s ARG 57 CO 0.19 0.52 0.19 1.52 0.02 0.00 0.00 175.30 177.75 1x5h s TYR 58 N -0.90 0.09 0.31 -0.53 1.13 -1.20 -0.61 117.35 115.63 1x5h s TYR 58 Ca 0.14 -0.38 0.06 0.00 -1.41 0.00 0.00 57.07 55.47 1x5h s TYR 58 Cb -0.10 -0.04 -0.03 0.00 -1.10 0.00 0.00 41.96 40.68 1x5h s TYR 58 CO 0.04 -0.47 0.25 -0.98 -2.51 0.00 0.00 175.55 171.88 1x5h s ARG 59 N -3.01 1.67 -0.20 -3.49 1.70 -0.44 -1.62 118.95 113.55 1x5h s ARG 59 Ca -0.02 -1.96 -0.10 0.00 -0.47 0.00 0.00 55.73 53.19 1x5h s ARG 59 Cb 0.01 0.28 -0.05 0.00 -0.57 0.00 0.00 34.95 34.62 1x5h s ARG 59 CO -0.06 -0.60 0.13 0.15 -1.08 0.00 0.00 175.30 173.84 1x5h s LYS 60 N -3.58 4.18 0.62 3.89 1.02 -1.02 -1.84 119.74 123.01 1x5h s LYS 60 Ca 0.40 -0.22 0.24 0.00 0.02 0.00 0.00 55.97 56.41 1x5h s LYS 60 Cb 0.03 -3.42 1.18 0.00 -0.52 0.00 0.00 37.83 35.11 1x5h s LYS 60 CO 0.24 0.30 1.65 0.00 -0.92 0.00 0.00 175.35 176.62 1x5h h ALA 61 N 6.67 2.10 0.00 5.17 0.00 -1.94 0.80 119.26 132.06 1x5h h ALA 61 Ca -0.41 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.21 1x5h h ALA 61 Cb 1.15 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 1x5h h ALA 61 CO 0.76 -0.88 -1.90 0.43 0.00 0.00 0.00 179.25 177.66 1x5h n SER 62 N -3.22 0.52 -3.70 0.00 7.64 -1.26 -4.71 113.62 108.89 1x5h n SER 62 Ca 0.08 0.24 -0.29 0.00 1.01 0.00 0.00 58.87 59.90 1x5h n SER 62 Cb 0.83 0.47 -0.13 0.00 -1.01 0.00 0.00 64.21 64.37 1x5h n SER 62 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1x5h s ARG 63 N -2.68 1.28 0.20 1.43 6.06 0.28 -4.96 118.95 120.56 1x5h s ARG 63 Ca -0.06 -2.02 -0.02 0.00 -2.50 0.00 0.00 55.73 51.13 1x5h s ARG 63 Cb 0.08 -2.30 0.15 0.00 0.06 0.00 0.00 34.95 32.93 1x5h s ARG 63 CO 0.83 -1.17 1.52 0.87 -2.50 0.00 0.00 175.30 174.85 1x5h h LYS 64 N 6.67 0.51 -0.67 5.12 6.56 -1.80 -2.68 116.57 130.27 1x5h h LYS 64 Ca 0.01 -0.32 0.08 0.00 -1.06 0.00 0.00 60.65 59.36 1x5h h LYS 64 Cb 0.92 0.04 -0.04 0.00 -0.57 0.00 0.00 32.23 32.58 1x5h h LYS 64 CO 0.48 0.92 0.44 1.03 -2.06 0.00 0.00 179.45 180.26 1x5h h SER 65 N 0.39 0.53 -3.54 0.86 0.87 -1.92 -3.38 113.55 107.35 1x5h h SER 65 Ca 0.01 0.01 -0.57 0.00 -1.23 0.00 0.00 61.79 60.01 1x5h h SER 65 Cb 1.08 -0.10 -0.08 0.00 -0.44 0.00 0.00 62.40 62.85 1x5h h SER 65 CO 0.10 0.33 0.87 -1.81 -0.53 0.00 0.00 176.83 175.79 1x5h s ASP 66 N -6.21 6.55 0.11 6.23 1.11 -1.15 -5.01 116.67 118.29 1x5h s ASP 66 Ca -0.09 0.27 0.08 0.00 0.18 0.00 0.00 52.55 52.99 1x5h s ASP 66 Cb 0.20 -2.53 -0.04 0.00 1.07 0.00 0.00 42.92 41.62 1x5h s ASP 66 CO 0.76 -1.29 -0.20 -0.69 1.18 0.00 0.00 175.17 174.93 1x5h s VAL 67 N 4.47 1.73 -0.11 -1.27 1.01 -1.26 -3.92 120.40 121.04 1x5h s VAL 67 Ca 0.44 -1.61 0.00 0.00 0.00 0.00 0.00 61.98 60.81 1x5h s VAL 67 Cb -0.08 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 1x5h s VAL 67 CO 0.29 -0.11 -0.13 -0.89 0.00 0.00 0.00 175.10 174.26 1x5h s THR 68 N -1.33 3.13 -0.04 3.92 2.01 -0.64 -4.96 115.64 117.72 1x5h s THR 68 Ca 0.08 -0.65 -0.16 0.00 0.31 0.00 0.00 61.69 61.27 1x5h s THR 68 Cb -0.09 -2.30 -0.05 0.00 0.01 0.00 0.00 72.50 70.07 1x5h s THR 68 CO 0.05 0.54 0.43 -0.70 -0.69 0.00 0.00 174.62 174.25 1x5h s GLU 69 N 0.09 4.10 -0.14 4.92 -6.30 -1.26 -3.26 118.70 116.85 1x5h s GLU 69 Ca -0.05 0.42 -0.04 0.00 -2.50 0.00 0.00 54.97 52.80 1x5h s GLU 69 Cb -0.15 -3.31 0.07 0.00 0.00 0.00 0.00 34.13 30.75 1x5h s GLU 69 CO 0.04 0.48 0.22 0.99 0.02 0.00 0.00 175.26 177.01 1x5h s THR 70 N -0.41 -0.34 -0.17 -1.70 2.01 -0.96 -5.01 115.64 109.06 1x5h s THR 70 Ca 0.24 0.17 -0.04 0.00 0.31 0.00 0.00 61.69 62.37 1x5h s THR 70 Cb -0.16 -0.48 -0.02 0.00 0.01 0.00 0.00 72.50 71.84 1x5h s THR 70 CO 0.12 0.02 -0.04 -0.22 -0.69 0.00 0.00 174.62 173.81 1x5h s LEU 71 N 2.35 3.17 0.00 4.42 2.96 -1.26 0.32 118.68 130.64 1x5h s LEU 71 Ca 0.04 -0.19 0.02 0.00 -0.22 0.00 0.00 54.13 53.78 1x5h s LEU 71 Cb -0.13 -1.78 0.02 0.00 0.50 0.00 0.00 46.19 44.81 1x5h s LEU 71 CO -0.09 0.12 0.20 1.33 -1.32 0.00 0.00 176.35 176.59 1x5h n VAL 72 N 3.84 0.00 -1.75 1.68 0.24 -0.64 -4.98 118.33 116.71 1x5h n VAL 72 Ca -0.17 -1.55 -0.30 0.00 -2.04 0.00 0.00 64.34 60.28 1x5h n VAL 72 Cb 0.52 -0.02 0.05 0.00 -1.47 0.00 0.00 33.84 32.92 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 -3.13 5.28 0.07 -1.34 0.01 -1.26 -3.61 113.70 109.72 1x5h s SER 73 Ca 0.15 1.28 -0.19 0.00 1.31 0.00 0.00 55.95 58.50 1x5h s SER 73 Cb -0.01 -2.11 -0.10 0.00 0.21 0.00 0.00 66.02 64.01 1x5h s SER 73 CO 0.09 -1.46 1.47 1.23 0.41 0.00 0.00 173.24 174.98 1x5h h GLY 74 N -0.74 0.44 -1.26 3.44 0.00 -1.46 -2.80 103.07 100.69 1x5h h GLY 74 Ca -0.45 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.52 1x5h h GLY 74 CO 0.61 0.33 0.00 -0.37 0.00 0.00 0.00 176.54 177.11 1x5h n THR 75 N -4.61 0.38 -3.61 4.70 5.66 -1.26 -4.71 114.28 110.83 1x5h n THR 75 Ca -0.04 -0.20 -0.39 0.00 -3.05 0.00 0.00 64.05 60.36 1x5h n THR 75 Cb 0.28 -0.40 -0.11 0.00 -1.55 0.00 0.00 70.33 68.55 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 -1.34 3.51 -0.18 1.09 0.74 -1.06 -4.94 119.66 117.48 1x5h s GLN 76 Ca 0.08 -0.61 0.16 0.00 0.05 0.00 0.00 55.36 55.04 1x5h s GLN 76 Cb 0.06 -3.65 0.53 0.00 1.10 0.00 0.00 33.01 31.05 1x5h s GLN 76 CO 0.03 -0.37 1.43 1.28 -0.55 0.00 0.00 175.29 177.10 1x5h n LEU 77 N 5.04 3.92 -3.67 3.68 4.77 -1.26 -4.81 117.00 124.67 1x5h n LEU 77 Ca -0.14 -3.05 -0.13 0.00 -0.03 0.00 0.00 56.01 52.67 1x5h n LEU 77 Cb 0.50 -0.55 -0.08 0.00 -2.33 0.00 0.00 43.42 40.96 1x5h n LEU 77 CO 0.35 0.69 0.29 -0.94 -1.33 0.00 0.00 177.39 176.45 1x5h s SER 78 N -1.95 -0.65 -0.05 -1.43 1.04 -1.26 -2.95 113.70 106.46 1x5h s SER 78 Ca 0.42 1.23 -0.04 0.00 0.48 0.00 0.00 55.95 58.04 1x5h s SER 78 Cb 0.35 1.22 0.01 0.00 0.10 0.00 0.00 66.02 67.70 1x5h s SER 78 CO 0.09 -0.21 0.13 -1.58 0.98 0.00 0.00 173.24 172.64 1x5h s GLN 79 N 0.48 0.14 -0.31 4.02 2.00 -0.94 -4.99 119.66 120.06 1x5h s GLN 79 Ca -0.01 0.19 -0.09 0.00 -2.00 0.00 0.00 55.36 53.45 1x5h s GLN 79 Cb -0.04 0.05 -0.00 0.00 0.80 0.00 0.00 33.01 33.81 1x5h s GLN 79 CO -0.02 -0.03 0.14 -1.17 -0.50 0.00 0.00 175.29 173.72 1x5h s LEU 80 N 0.15 4.08 -0.48 3.68 2.96 -1.26 -0.58 118.68 127.23 1x5h s LEU 80 Ca -0.01 -0.58 -0.16 0.00 -0.22 0.00 0.00 54.13 53.16 1x5h s LEU 80 Cb -0.02 -1.98 0.08 0.00 0.50 0.00 0.00 46.19 44.77 1x5h s LEU 80 CO -0.00 -0.20 0.41 -0.63 -1.32 0.00 0.00 176.35 174.61 1x5h s ILE 81 N 1.59 5.22 0.26 6.68 -1.09 -0.58 -4.93 121.20 128.35 1x5h s ILE 81 Ca 0.04 -1.06 0.06 0.00 -2.23 0.00 0.00 60.65 57.45 1x5h s ILE 81 Cb -0.17 -4.15 -0.03 0.00 -1.58 0.00 0.00 42.46 36.53 1x5h s ILE 81 CO 0.05 -0.61 0.36 -1.61 -1.23 0.00 0.00 174.94 171.91 1x5h s GLU 82 N 1.69 3.29 0.00 2.79 2.02 -1.26 -1.09 118.70 126.13 1x5h s GLU 82 Ca 0.04 -0.86 0.00 0.00 0.02 0.00 0.00 54.97 54.17 1x5h s GLU 82 Cb -0.24 -2.82 0.00 0.00 0.10 0.00 0.00 34.13 31.16 1x5h s GLU 82 CO 0.07 0.35 0.00 0.41 0.02 0.00 0.00 175.26 176.10 1x5h n GLY 83 N -1.42 0.70 3.67 -1.39 0.00 0.37 -4.94 105.19 102.17 1x5h n GLY 83 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 2.62 0.16 0.99 1.43 0.35 -5.01 118.68 119.22 1x5h s LEU 84 Ca 0.00 -1.48 0.08 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 -0.62 -0.08 -1.81 0.23 0.00 0.00 176.35 174.08 1x5h s ASP 85 N -3.77 4.38 0.75 2.29 1.11 -1.24 -4.16 116.67 116.04 1x5h s ASP 85 Ca 0.24 -0.50 -0.11 0.00 0.18 0.00 0.00 52.55 52.36 1x5h s ASP 85 Cb 0.07 -0.80 0.04 0.00 1.07 0.00 0.00 42.92 43.29 1x5h s ASP 85 CO 0.12 0.12 1.08 0.00 1.18 0.00 0.00 175.17 177.67 1x5h s ARG 86 N -2.69 2.49 -1.30 8.23 1.70 -1.12 -3.97 118.95 122.29 1x5h s ARG 86 Ca 0.24 1.00 -0.17 0.00 -0.47 0.00 0.00 55.73 56.34 1x5h s ARG 86 Cb -0.09 -1.94 0.01 0.00 -0.57 0.00 0.00 34.95 32.36 1x5h s ARG 86 CO 0.15 -1.43 0.52 0.41 -1.08 0.00 0.00 175.30 173.88 1x5h n GLY 87 N -1.64 -0.60 3.30 3.88 0.00 -1.26 -4.92 105.19 103.95 1x5h n GLY 87 Ca 0.08 0.29 -0.11 0.00 0.00 0.00 0.00 46.02 46.28 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 -3.78 -0.02 0.28 2.61 2.01 -1.26 -4.99 115.64 110.49 1x5h s THR 88 Ca 0.29 0.06 -0.25 0.00 0.31 0.00 0.00 61.69 62.10 1x5h s THR 88 Cb -0.13 -0.62 -0.09 0.00 0.01 0.00 0.00 72.50 71.66 1x5h s THR 88 CO 0.93 0.02 0.88 -0.70 -0.69 0.00 0.00 174.62 175.06 1x5h s GLU 89 N 1.03 4.54 -0.05 4.92 2.12 -1.26 -2.86 118.70 127.14 1x5h s GLU 89 Ca -0.07 1.22 -0.03 0.00 0.36 0.00 0.00 54.97 56.46 1x5h s GLU 89 Cb -0.07 -2.92 0.02 0.00 0.26 0.00 0.00 34.13 31.43 1x5h s GLU 89 CO -0.09 0.36 0.12 0.71 -0.54 0.00 0.00 175.26 175.82 1x5h s TYR 90 N -1.50 -0.12 -0.17 5.30 2.02 -0.30 -3.67 117.35 118.90 1x5h s TYR 90 Ca 0.46 0.35 -0.12 0.00 -0.37 0.00 0.00 57.07 57.39 1x5h s TYR 90 Cb -0.19 -0.03 -0.05 0.00 -0.40 0.00 0.00 41.96 41.29 1x5h s TYR 90 CO 0.24 -0.10 0.23 -0.80 -1.57 0.00 0.00 175.55 173.55 1x5h s ASN 91 N 0.57 6.36 0.15 2.29 0.02 -0.77 -0.22 114.94 123.34 1x5h s ASN 91 Ca -0.04 0.42 0.09 0.00 -1.02 0.00 0.00 52.86 52.31 1x5h s ASN 91 Cb -0.06 -2.15 -0.04 0.00 0.02 0.00 0.00 41.25 39.02 1x5h s ASN 91 CO -0.02 0.15 -0.21 -0.36 0.02 0.00 0.00 177.10 176.67 1x5h s PHE 92 N 0.32 1.98 -0.15 2.20 0.40 -0.39 -1.33 117.98 121.01 1x5h s PHE 92 Ca 0.14 -0.42 -0.16 0.00 -0.60 0.00 0.00 56.93 55.89 1x5h s PHE 92 Cb -0.12 -1.02 0.04 0.00 0.51 0.00 0.00 43.02 42.43 1x5h s PHE 92 CO 0.02 0.34 0.44 -0.98 0.70 0.00 0.00 175.22 175.74 1x5h s ARG 93 N -2.43 0.56 -0.03 0.44 1.70 0.21 -2.89 118.95 116.51 1x5h s ARG 93 Ca 0.14 0.52 0.06 0.00 -0.47 0.00 0.00 55.73 55.98 1x5h s ARG 93 Cb -0.08 0.27 -0.02 0.00 -0.57 0.00 0.00 34.95 34.55 1x5h s ARG 93 CO 0.07 -0.09 -0.22 0.08 -1.08 0.00 0.00 175.30 174.06 1x5h s VAL 94 N 0.00 2.39 0.03 4.99 1.01 -1.26 -1.28 120.40 126.28 1x5h s VAL 94 Ca -0.02 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.00 1x5h s VAL 94 Cb -0.03 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 1x5h s VAL 94 CO 0.01 0.58 -0.06 0.00 0.00 0.00 0.00 175.10 175.63 1x5h s ALA 95 N -0.61 0.47 0.15 5.51 0.00 -1.03 -1.37 121.76 124.88 1x5h s ALA 95 Ca 0.10 -0.57 -0.10 0.00 0.00 0.00 0.00 51.96 51.39 1x5h s ALA 95 Cb -0.10 0.01 -0.07 0.00 0.00 0.00 0.00 23.12 22.96 1x5h s ALA 95 CO -0.00 0.01 0.48 0.00 0.00 0.00 0.00 175.76 176.25 1x5h s ALA 96 N -0.97 3.64 0.02 0.00 0.00 -1.23 -0.03 121.76 123.19 1x5h s ALA 96 Ca -0.07 -0.30 0.05 0.00 0.00 0.00 0.00 51.96 51.64 1x5h s ALA 96 Cb -0.07 -2.37 -0.02 0.00 0.00 0.00 0.00 23.12 20.66 1x5h s ALA 96 CO 0.00 0.53 -0.14 -0.51 0.00 0.00 0.00 175.76 175.64 1x5h s LEU 97 N -2.31 2.11 0.33 0.00 1.43 0.10 -0.25 118.68 120.10 1x5h s LEU 97 Ca 0.40 -0.38 0.07 0.00 -1.03 0.00 0.00 54.13 53.19 1x5h s LEU 97 Cb -0.13 -0.66 -0.03 0.00 0.03 0.00 0.00 46.19 45.40 1x5h s LEU 97 CO 0.20 0.09 0.26 0.42 0.23 0.00 0.00 176.35 177.55 1x5h s THR 98 N -0.64 0.05 0.54 5.49 -4.23 -1.01 -0.91 115.64 114.94 1x5h s THR 98 Ca 0.03 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 58.84 1x5h s THR 98 Cb -0.07 -2.48 0.34 0.00 1.34 0.00 0.00 72.50 71.63 1x5h s THR 98 CO 0.01 0.00 2.21 -0.29 -0.54 0.00 0.00 174.62 176.01 1x5h h ILE 99 N 2.12 0.51 0.00 2.99 2.10 -1.95 -0.07 117.51 123.21 1x5h h ILE 99 Ca -0.26 -0.15 0.00 0.00 1.08 0.00 0.00 64.86 65.52 1x5h h ILE 99 Cb 1.24 1.10 0.00 0.00 -1.09 0.00 0.00 36.82 38.07 1x5h h ILE 99 CO 0.39 0.03 0.00 0.78 -1.08 0.00 0.00 178.15 178.27 1x5h h ASN 100 N 0.00 0.00 0.00 2.19 -0.26 -1.92 -3.49 115.58 112.11 1x5h h ASN 100 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1x5h h ASN 100 Cb 0.10 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.36 1x5h h ASN 100 CO 0.00 0.00 0.00 0.61 -1.06 0.00 0.00 177.43 176.98 1x5h n GLY 101 N 0.26 0.67 3.78 2.83 0.00 -0.04 -4.46 105.19 108.23 1x5h n GLY 101 Ca 0.03 -0.71 -0.26 0.00 0.00 0.00 0.00 46.02 45.07 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 2.02 0.27 2.61 -4.23 -1.26 -2.40 115.64 112.65 1x5h s THR 102 Ca 0.00 -1.68 0.02 0.00 -1.18 0.00 0.00 61.69 58.85 1x5h s THR 102 Cb 0.00 -2.70 -0.01 0.00 1.34 0.00 0.00 72.50 71.13 1x5h s THR 102 CO 0.00 0.00 0.07 0.61 -0.54 0.00 0.00 174.62 174.76 1x5h n GLY 103 N -1.37 3.62 3.73 3.99 0.00 0.66 -3.91 105.19 111.91 1x5h n GLY 103 Ca -0.03 -2.10 -0.30 0.00 0.00 0.00 0.00 46.02 43.58 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 -3.01 1.42 0.09 1.61 0.04 -1.26 -4.66 135.00 129.24 1x5h s PRO 104 Ca 0.10 0.87 0.09 0.00 0.04 0.00 0.00 61.00 62.10 1x5h s PRO 104 Cb 0.00 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.68 1x5h s PRO 104 CO 0.07 -2.14 -0.20 0.00 0.04 0.00 0.00 177.00 174.77 1x5h s ALA 105 N -2.93 2.58 0.52 8.56 0.00 -1.26 -3.50 121.76 125.73 1x5h s ALA 105 Ca 0.63 -1.32 -0.18 0.00 0.00 0.00 0.00 51.96 51.09 1x5h s ALA 105 Cb -0.18 -0.62 -0.07 0.00 0.00 0.00 0.00 23.12 22.25 1x5h s ALA 105 CO 0.57 0.58 1.02 0.95 0.00 0.00 0.00 175.76 178.88 1x5h s THR 106 N -1.04 4.01 1.03 0.00 -4.23 -0.47 -4.96 115.64 109.98 1x5h s THR 106 Ca 0.16 1.09 -0.24 0.00 -1.18 0.00 0.00 61.69 61.53 1x5h s THR 106 Cb -0.10 -3.50 -0.09 0.00 1.34 0.00 0.00 72.50 70.15 1x5h s THR 106 CO 0.07 -0.42 -0.94 -0.67 -0.54 0.00 0.00 174.62 172.12 1x5h n ASP 107 N -1.39 -3.08 -4.48 3.99 2.03 -1.26 -4.59 116.55 107.77 1x5h n ASP 107 Ca 0.08 -0.01 -0.43 0.00 0.52 0.00 0.00 54.79 54.96 1x5h n ASP 107 Cb 0.53 -0.69 -0.03 0.00 -0.72 0.00 0.00 41.12 40.21 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 -2.09 2.65 -0.28 -0.67 0.23 -1.26 -4.65 118.94 112.86 1x5h s TRP 108 Ca 0.43 -0.59 -0.18 0.00 -2.03 0.00 0.00 56.10 53.73 1x5h s TRP 108 Cb 0.00 -4.39 -0.02 0.00 0.03 0.00 0.00 33.47 29.09 1x5h s TRP 108 CO 0.68 -1.73 0.50 -1.17 0.96 0.00 0.00 176.95 176.19 1x5h s LEU 109 N 4.27 4.11 -0.05 2.99 2.96 -1.14 -4.92 118.68 126.90 1x5h s LEU 109 Ca 0.28 0.38 -0.17 0.00 -0.22 0.00 0.00 54.13 54.40 1x5h s LEU 109 Cb -0.12 -2.63 -0.05 0.00 0.50 0.00 0.00 46.19 43.89 1x5h s LEU 109 CO 0.07 -0.32 0.46 -0.94 -1.32 0.00 0.00 176.35 174.30 1x5h s SER 110 N 1.61 6.79 -0.06 3.68 1.04 -1.26 -1.26 113.70 124.23 1x5h s SER 110 Ca 0.20 0.93 0.02 0.00 0.48 0.00 0.00 55.95 57.58 1x5h s SER 110 Cb -0.16 -2.28 0.02 0.00 0.10 0.00 0.00 66.02 63.70 1x5h s SER 110 CO 0.10 0.16 -0.09 0.00 0.98 0.00 0.00 173.24 174.39 1x5h s ALA 111 N -0.25 1.04 -0.31 5.32 0.00 0.69 -4.92 121.76 123.34 1x5h s ALA 111 Ca 0.25 -0.28 -0.12 0.00 0.00 0.00 0.00 51.96 51.81 1x5h s ALA 111 Cb -0.16 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.39 1x5h s ALA 111 CO 0.13 0.03 0.24 -2.00 0.00 0.00 0.00 175.76 174.16 1x5h s GLU 112 N 0.83 3.76 1.15 0.00 2.12 -1.26 -1.15 118.70 124.15 1x5h s GLU 112 Ca -0.12 -0.40 -0.14 0.00 0.36 0.00 0.00 54.97 54.67 1x5h s GLU 112 Cb -0.15 -3.73 0.27 0.00 0.26 0.00 0.00 34.13 30.79 1x5h s GLU 112 CO 0.02 -0.32 1.04 0.95 -0.54 0.00 0.00 175.26 176.41 1x5h s THR 113 N 1.81 1.94 -0.13 -1.70 -4.23 -1.13 -4.95 115.64 107.24 1x5h s THR 113 Ca 0.08 0.00 -0.24 0.00 -1.18 0.00 0.00 61.69 60.35 1x5h s THR 113 Cb -0.17 -2.20 -0.02 0.00 1.34 0.00 0.00 72.50 71.45 1x5h s THR 113 CO 0.11 0.00 0.77 -0.36 -0.54 0.00 0.00 174.62 174.60 1x5h s PHE 114 N -2.61 3.48 0.61 3.99 0.08 -1.26 -4.06 117.98 118.21 1x5h s PHE 114 Ca 0.68 1.24 0.26 0.00 0.12 0.00 0.00 56.93 59.23 1x5h s PHE 114 Cb -0.22 -2.92 1.27 0.00 -0.57 0.00 0.00 43.02 40.57 1x5h s PHE 114 CO 0.62 -0.11 1.69 0.93 -0.10 0.00 0.00 175.22 178.25 1x5h h GLU 115 N 7.14 0.00 -3.41 0.44 5.08 -1.93 -3.35 114.58 118.54 1x5h h GLU 115 Ca -0.34 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.93 1x5h h GLU 115 Cb 1.16 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.37 1x5h h GLU 115 CO 0.80 0.00 0.08 0.45 -1.00 0.00 0.00 179.01 179.34 1x5h s SER 116 N -4.49 0.23 -1.02 1.42 0.15 -1.26 -4.63 113.70 104.10 1x5h s SER 116 Ca -0.03 -1.15 -0.23 0.00 0.70 0.00 0.00 55.95 55.23 1x5h s SER 116 Cb 0.13 0.75 0.03 0.00 -1.71 0.00 0.00 66.02 65.21 1x5h s SER 116 CO 0.44 -1.47 1.60 1.51 1.20 0.00 0.00 173.24 176.52 1x5h s ASP 117 N -3.09 6.18 -0.17 5.45 -4.77 -1.26 -4.77 116.67 114.23 1x5h s ASP 117 Ca 0.20 -1.35 -0.00 0.00 -3.30 0.00 0.00 52.55 48.10 1x5h s ASP 117 Cb -0.03 -2.57 0.04 0.00 -1.09 0.00 0.00 42.92 39.27 1x5h s ASP 117 CO 0.13 -1.81 -0.07 -0.22 0.70 0.00 0.00 175.17 173.90 1x5h s LEU 118 N 6.24 1.75 -0.19 2.11 1.98 -1.26 -5.12 118.68 124.20 1x5h s LEU 118 Ca 0.53 -0.68 -0.16 0.00 -2.89 0.00 0.00 54.13 50.93 1x5h s LEU 118 Cb -0.01 -1.00 -0.04 0.00 0.66 0.00 0.00 46.19 45.79 1x5h s LEU 118 CO -0.06 -0.16 0.39 -1.81 -1.89 0.00 0.00 176.35 172.82 1x5h s ASP 119 N 1.57 6.47 0.05 3.68 1.01 -1.26 -5.08 116.67 123.11 1x5h s ASP 119 Ca 0.01 0.55 0.00 0.00 0.71 0.00 0.00 52.55 53.82 1x5h s ASP 119 Cb -0.15 -2.23 -0.04 0.00 1.01 0.00 0.00 42.92 41.51 1x5h s ASP 119 CO -0.08 -0.04 0.17 -1.61 0.21 0.00 0.00 175.17 173.82 1x5h s GLU 120 N 1.11 3.30 0.02 8.23 2.02 -1.26 -5.12 118.70 127.00 1x5h s GLU 120 Ca 0.20 -0.48 0.07 0.00 0.02 0.00 0.00 54.97 54.78 1x5h s GLU 120 Cb -0.15 -2.97 -0.02 0.00 0.10 0.00 0.00 34.13 31.09 1x5h s GLU 120 CO 0.08 0.61 -0.21 -0.08 0.02 0.00 0.00 175.26 175.68 1x5h s THR 121 N -1.44 1.66 0.19 3.63 -1.32 -1.26 -5.15 115.64 111.96 1x5h s THR 121 Ca 0.32 -1.05 0.09 0.00 -1.21 0.00 0.00 61.69 59.83 1x5h s THR 121 Cb -0.13 -1.42 -0.04 0.00 -1.51 0.00 0.00 72.50 69.40 1x5h s THR 121 CO 0.24 0.33 -0.17 0.00 -2.21 0.00 0.00 174.62 172.82 1x5h s ARG 122 N -0.85 1.35 0.02 7.08 1.70 -1.26 -5.15 118.95 121.83 1x5h s ARG 122 Ca 0.08 -1.52 0.06 0.00 -0.47 0.00 0.00 55.73 53.87 1x5h s ARG 122 Cb -0.08 -1.31 -0.03 0.00 -0.57 0.00 0.00 34.95 32.95 1x5h s ARG 122 CO 0.01 0.25 -0.14 0.14 -1.08 0.00 0.00 175.30 174.47 1x5h s VAL 123 N -2.45 3.07 0.20 4.99 -7.23 -1.26 -5.14 120.40 112.59 1x5h s VAL 123 Ca 0.20 -1.01 -0.03 0.00 -1.81 0.00 0.00 61.98 59.33 1x5h s VAL 123 Cb -0.04 -2.30 0.05 0.00 0.56 0.00 0.00 36.38 34.66 1x5h s VAL 123 CO 0.08 0.39 0.18 -0.81 -0.31 0.00 0.00 175.10 174.62 1x5h n PRO 124 N 1.65 -1.38 -4.45 4.82 -0.04 -1.26 -5.10 135.00 129.25 1x5h n PRO 124 Ca -0.16 -0.29 -0.22 0.00 -0.04 0.00 0.00 63.50 62.79 1x5h n PRO 124 Cb 0.52 -0.27 -0.10 0.00 -0.04 0.00 0.00 33.50 33.61 1x5h n PRO 124 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1x5h s GLU 125 N -3.41 1.69 0.33 0.54 0.41 -1.26 -5.15 118.70 111.85 1x5h s GLU 125 Ca 0.12 -1.97 -0.15 0.00 -0.41 0.00 0.00 54.97 52.56 1x5h s GLU 125 Cb -0.01 -0.68 -0.09 0.00 -1.78 0.00 0.00 34.13 31.56 1x5h s GLU 125 CO 0.09 -0.29 0.75 0.14 -0.49 0.00 0.00 175.26 175.46 1x5h s VAL 126 N -3.35 4.65 -0.04 2.63 -7.23 -1.26 -5.08 120.40 110.72 1x5h s VAL 126 Ca 0.33 0.99 0.00 0.00 -1.81 0.00 0.00 61.98 61.49 1x5h s VAL 126 Cb 0.07 -3.61 0.03 0.00 0.56 0.00 0.00 36.38 33.43 1x5h s VAL 126 CO 0.15 -0.20 -0.00 -0.55 -0.31 0.00 0.00 175.10 174.18 1x5h s SER 127 N -2.27 0.70 -0.00 4.85 0.15 -1.26 -5.15 113.70 110.72 1x5h s SER 127 Ca 0.55 -0.05 -0.02 0.00 0.70 0.00 0.00 55.95 57.13 1x5h s SER 127 Cb -0.10 -0.28 -0.04 0.00 -1.71 0.00 0.00 66.02 63.88 1x5h s SER 127 CO 0.17 -0.11 0.15 -0.83 1.20 0.00 0.00 173.24 173.82 1x5h s GLY 128 N 1.17 2.13 0.62 9.45 0.00 -1.26 -5.11 107.32 114.32 1x5h s GLY 128 Ca -0.08 -0.80 -0.10 0.00 0.00 0.00 0.00 44.72 43.74 1x5h s GLY 128 CO -0.02 -0.69 0.55 -1.55 0.00 0.00 0.00 173.10 171.39 1x5h n PRO 129 N 0.98 -2.09 -3.62 2.90 -0.04 -1.26 -5.10 135.00 126.77 1x5h n PRO 129 Ca -0.11 -0.88 -0.00 0.00 -0.04 0.00 0.00 63.50 62.46 1x5h n PRO 129 Cb 0.53 -0.82 -0.01 0.00 -0.04 0.00 0.00 33.50 33.15 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 -2.99 -0.09 0.32 3.54 1.04 -1.26 -5.19 113.70 109.07 1x5h s SER 130 Ca 0.36 -0.11 0.04 0.00 0.48 0.00 0.00 55.95 56.72 1x5h s SER 130 Cb -0.04 0.18 -0.03 0.00 0.10 0.00 0.00 66.02 66.23 1x5h s SER 130 CO 0.27 -0.32 0.20 -0.44 0.98 0.00 0.00 173.24 173.94 1x5h s SER 131 N -2.77 1.63 0.00 7.02 0.01 -1.26 -5.37 113.70 112.96 1x5h s SER 131 Ca 0.13 -1.64 0.00 0.00 1.31 0.00 0.00 55.95 55.75 1x5h s SER 131 Cb 0.03 0.47 0.00 0.00 0.21 0.00 0.00 66.02 66.73 1x5h s SER 131 CO -0.04 -0.96 0.00 0.61 0.41 0.00 0.00 173.24 173.26