#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 -0.94 -4.58 1.61 2.88 -1.26 -4.77 113.62 106.57 1x5h n SER 2 Ca 0.00 -0.98 -0.42 0.00 -1.33 0.00 0.00 58.87 56.14 1x5h n SER 2 Cb 0.00 -1.25 -0.03 0.00 -0.75 0.00 0.00 64.21 62.18 1x5h n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x5h s SER 3 N -3.06 6.16 0.00 -3.46 0.01 -1.26 -4.87 113.70 107.22 1x5h s SER 3 Ca 0.51 0.30 0.00 0.00 1.31 0.00 0.00 55.95 58.07 1x5h s SER 3 Cb -0.30 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.39 1x5h s SER 3 CO 0.80 -1.68 0.00 0.61 0.41 0.00 0.00 173.24 173.38 1x5h n GLY 4 N 5.24 2.30 3.51 3.44 0.00 -1.26 -5.18 105.19 113.24 1x5h n GLY 4 Ca 0.12 -1.12 -0.13 0.00 0.00 0.00 0.00 46.02 44.90 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 0.00 0.55 0.25 1.61 0.01 -1.26 -5.19 113.70 109.68 1x5h s SER 5 Ca 0.00 -1.32 0.05 0.00 1.31 0.00 0.00 55.95 56.00 1x5h s SER 5 Cb 0.00 0.64 -0.05 0.00 0.21 0.00 0.00 66.02 66.81 1x5h s SER 5 CO 0.00 -1.25 -0.05 -0.94 0.41 0.00 0.00 173.24 171.42 1x5h s SER 6 N -3.17 2.39 0.00 2.44 1.04 -1.26 -5.17 113.70 109.98 1x5h s SER 6 Ca 0.28 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.53 1x5h s SER 6 Cb -0.00 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.02 1x5h s SER 6 CO 0.16 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.60 1x5h n GLY 7 N -0.50 4.27 3.63 7.32 0.00 -1.26 -5.16 105.19 113.49 1x5h n GLY 7 Ca -0.06 -1.86 -0.04 0.00 0.00 0.00 0.00 46.02 44.06 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 0.37 -0.87 0.13 1.61 2.15 -1.26 -5.17 116.67 113.63 1x5h s ASP 8 Ca 0.00 1.33 0.09 0.00 0.43 0.00 0.00 52.55 54.40 1x5h s ASP 8 Cb 0.00 1.54 -0.04 0.00 -0.30 0.00 0.00 42.92 44.12 1x5h s ASP 8 CO 0.00 -0.20 -0.15 0.54 -0.17 0.00 0.00 175.17 175.19 1x5h s VAL 9 N 1.87 3.02 -0.03 1.11 0.11 -1.26 -5.14 120.40 120.08 1x5h s VAL 9 Ca -0.09 -1.49 -0.04 0.00 -2.93 0.00 0.00 61.98 57.43 1x5h s VAL 9 Cb -0.06 -2.42 0.01 0.00 -1.53 0.00 0.00 36.38 32.38 1x5h s VAL 9 CO -0.19 0.06 0.11 0.00 -3.33 0.00 0.00 175.10 171.75 1x5h s ALA 10 N -1.28 -0.27 0.20 1.54 0.00 -1.26 -5.17 121.76 115.51 1x5h s ALA 10 Ca 0.20 0.20 0.09 0.00 0.00 0.00 0.00 51.96 52.46 1x5h s ALA 10 Cb -0.10 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 1x5h s ALA 10 CO 0.12 -0.09 -0.18 0.54 0.00 0.00 0.00 175.76 176.16 1x5h s VAL 11 N -0.26 1.93 -0.03 0.00 0.11 -1.26 -5.15 120.40 115.74 1x5h s VAL 11 Ca -0.03 -2.09 -0.06 0.00 -2.93 0.00 0.00 61.98 56.87 1x5h s VAL 11 Cb -0.02 -1.99 0.01 0.00 -1.53 0.00 0.00 36.38 32.84 1x5h s VAL 11 CO 0.00 -0.40 0.13 0.00 -3.33 0.00 0.00 175.10 171.50 1x5h s ARG 12 N -3.16 0.30 0.47 1.54 3.03 -1.26 -5.17 118.95 114.70 1x5h s ARG 12 Ca 0.20 -0.10 0.07 0.00 2.03 0.00 0.00 55.73 57.94 1x5h s ARG 12 Cb -0.04 0.13 0.01 0.00 -1.03 0.00 0.00 34.95 34.02 1x5h s ARG 12 CO 0.08 -0.06 0.45 0.95 -1.13 0.00 0.00 175.30 175.59 1x5h s THR 13 N -0.62 2.38 -0.17 4.99 -4.23 -1.26 -5.12 115.64 111.62 1x5h s THR 13 Ca -0.07 -1.31 -0.01 0.00 -1.18 0.00 0.00 61.69 59.12 1x5h s THR 13 Cb -0.04 -2.69 -0.00 0.00 1.34 0.00 0.00 72.50 71.10 1x5h s THR 13 CO 0.01 0.00 -0.13 -0.22 -0.54 0.00 0.00 174.62 173.74 1x5h s LEU 14 N -4.25 2.56 0.26 4.79 2.96 -1.26 -5.03 118.68 118.72 1x5h s LEU 14 Ca 0.47 -0.46 -0.19 0.00 -0.22 0.00 0.00 54.13 53.73 1x5h s LEU 14 Cb -0.04 -1.60 0.02 0.00 0.50 0.00 0.00 46.19 45.07 1x5h s LEU 14 CO 0.28 0.06 0.65 -0.55 -1.32 0.00 0.00 176.35 175.47 1x5h s SER 15 N 1.00 -0.25 0.14 3.68 0.15 -1.26 -5.06 113.70 112.09 1x5h s SER 15 Ca -0.02 -0.63 -0.29 0.00 0.70 0.00 0.00 55.95 55.72 1x5h s SER 15 Cb -0.15 0.68 -0.07 0.00 -1.71 0.00 0.00 66.02 64.77 1x5h s SER 15 CO -0.02 -1.27 1.49 0.44 1.20 0.00 0.00 173.24 175.08 1x5h h ASP 16 N 2.06 -1.89 -2.41 5.45 3.32 -1.99 -3.41 116.42 117.55 1x5h h ASP 16 Ca -0.22 0.28 -0.59 0.00 0.02 0.00 0.00 57.03 56.52 1x5h h ASP 16 Cb 1.25 0.82 0.18 0.00 0.22 0.00 0.00 39.33 41.80 1x5h h ASP 16 CO 0.27 -0.26 -0.84 1.33 -1.72 0.00 0.00 179.24 178.02 1x5h n VAL 17 N -5.07 0.95 -1.24 -1.35 0.24 -1.26 -4.92 118.33 105.67 1x5h n VAL 17 Ca 0.00 -0.50 -0.31 0.00 -2.04 0.00 0.00 64.34 61.50 1x5h n VAL 17 Cb 0.26 -0.29 0.11 0.00 -1.47 0.00 0.00 33.84 32.45 1x5h n VAL 17 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1x5h s PRO 18 N -1.49 1.90 -0.05 7.34 0.04 -1.26 -4.99 135.00 136.48 1x5h s PRO 18 Ca 0.62 1.04 0.07 0.00 0.04 0.00 0.00 61.00 62.77 1x5h s PRO 18 Cb -0.47 -1.87 0.11 0.00 0.04 0.00 0.00 34.50 32.31 1x5h s PRO 18 CO 0.61 -1.86 0.98 0.45 0.04 0.00 0.00 177.00 177.22 1x5h n SER 19 N -3.65 1.27 -4.52 6.66 2.88 -1.26 -4.19 113.62 110.81 1x5h n SER 19 Ca 0.08 -2.24 -0.34 0.00 -1.33 0.00 0.00 58.87 55.05 1x5h n SER 19 Cb 0.54 -0.21 -0.12 0.00 -0.75 0.00 0.00 64.21 63.67 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 -1.25 3.02 0.28 -1.46 0.00 -1.26 -4.84 121.76 116.25 1x5h s ALA 20 Ca 0.12 -0.82 0.07 0.00 0.00 0.00 0.00 51.96 51.33 1x5h s ALA 20 Cb 0.10 -1.53 -0.03 0.00 0.00 0.00 0.00 23.12 21.66 1x5h s ALA 20 CO 0.01 0.27 0.23 0.00 0.00 0.00 0.00 175.76 176.27 1x5h s ALA 21 N 0.19 3.67 0.38 0.00 0.00 -1.26 -4.31 121.76 120.43 1x5h s ALA 21 Ca -0.02 -1.50 -0.26 0.00 0.00 0.00 0.00 51.96 50.18 1x5h s ALA 21 Cb -0.14 -1.25 -0.09 0.00 0.00 0.00 0.00 23.12 21.64 1x5h s ALA 21 CO 0.03 0.17 1.20 -1.25 0.00 0.00 0.00 175.76 175.90 1x5h s PRO 22 N -3.90 4.14 0.54 0.00 0.04 -1.26 -4.17 135.00 130.40 1x5h s PRO 22 Ca 0.36 1.93 0.06 0.00 0.04 0.00 0.00 61.00 63.39 1x5h s PRO 22 Cb -0.07 -2.79 0.04 0.00 0.04 0.00 0.00 34.50 31.72 1x5h s PRO 22 CO 0.25 -0.27 0.45 -0.65 0.04 0.00 0.00 177.00 176.82 1x5h s GLN 23 N -2.14 2.28 -1.60 4.56 -0.21 -0.37 -4.64 119.66 117.54 1x5h s GLN 23 Ca 0.55 -1.93 0.00 0.00 0.02 0.00 0.00 55.36 54.00 1x5h s GLN 23 Cb -0.33 -2.19 0.00 0.00 1.00 0.00 0.00 33.01 31.49 1x5h s GLN 23 CO 0.42 -0.61 0.00 0.09 -2.12 0.00 0.00 175.29 173.07 1x5h n ASN 24 N -1.80 -5.32 -4.75 5.90 3.02 -1.26 -1.12 115.26 109.93 1x5h n ASN 24 Ca 0.01 0.02 -0.36 0.00 -0.03 0.00 0.00 54.58 54.22 1x5h n ASN 24 Cb 0.64 -4.38 0.04 0.00 -0.61 0.00 0.00 39.78 35.46 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 -5.20 3.65 -0.09 3.41 2.96 -1.25 -4.39 118.68 117.77 1x5h s LEU 25 Ca 0.00 2.44 -0.30 0.00 -0.22 0.00 0.00 54.13 56.05 1x5h s LEU 25 Cb 0.00 -4.60 0.12 0.00 0.50 0.00 0.00 46.19 42.21 1x5h s LEU 25 CO 0.00 -1.68 0.98 -0.44 -1.32 0.00 0.00 176.35 173.89 1x5h s SER 26 N -1.55 -0.33 -0.39 3.68 0.01 0.46 -4.96 113.70 110.62 1x5h s SER 26 Ca 0.79 0.15 0.02 0.00 1.31 0.00 0.00 55.95 58.22 1x5h s SER 26 Cb -0.32 0.32 0.11 0.00 0.21 0.00 0.00 66.02 66.34 1x5h s SER 26 CO 0.34 -0.46 0.14 -0.76 0.41 0.00 0.00 173.24 172.92 1x5h s LEU 27 N -1.91 3.52 -1.11 2.44 1.43 -1.26 -0.65 118.68 121.14 1x5h s LEU 27 Ca 0.03 -2.28 -0.21 0.00 -1.03 0.00 0.00 54.13 50.64 1x5h s LEU 27 Cb -0.01 -1.28 0.06 0.00 0.03 0.00 0.00 46.19 44.99 1x5h s LEU 27 CO -0.04 -0.34 1.53 -0.70 0.23 0.00 0.00 176.35 177.03 1x5h s GLU 28 N 0.76 3.73 -0.83 1.70 2.56 0.14 -4.86 118.70 121.90 1x5h s GLU 28 Ca 0.13 -1.46 -0.18 0.00 0.00 0.00 0.00 54.97 53.46 1x5h s GLU 28 Cb -0.21 -5.40 -0.21 0.00 2.00 0.00 0.00 34.13 30.31 1x5h s GLU 28 CO -0.09 -2.20 2.18 0.28 -0.56 0.00 0.00 175.26 174.86 1x5h n VAL 29 N 6.64 0.00 -0.01 3.70 0.31 -1.26 -2.03 118.33 125.67 1x5h n VAL 29 Ca 0.38 -0.44 -0.10 0.00 -0.01 0.00 0.00 64.34 64.16 1x5h n VAL 29 Cb 0.49 -1.15 -0.04 0.00 -0.91 0.00 0.00 33.84 32.23 1x5h n VAL 29 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1x5h h ARG 30 N 11.70 0.12 -4.57 5.55 2.47 -1.88 -3.47 114.38 124.30 1x5h h ARG 30 Ca 0.01 -0.01 -0.38 0.00 -1.26 0.00 0.00 59.98 58.35 1x5h h ARG 30 Cb 1.04 -0.03 -0.11 0.00 -1.65 0.00 0.00 29.97 29.23 1x5h h ARG 30 CO 1.22 0.08 -0.37 -0.80 0.56 0.00 0.00 179.97 180.65 1x5h s ASN 31 N -5.27 1.30 0.00 7.04 0.01 -0.84 -4.97 114.94 112.21 1x5h s ASN 31 Ca -0.13 -1.63 0.21 0.00 -0.71 0.00 0.00 52.86 50.60 1x5h s ASN 31 Cb 0.08 0.59 1.03 0.00 0.41 0.00 0.00 41.25 43.37 1x5h s ASN 31 CO 0.68 -1.15 1.68 -1.54 -1.51 0.00 0.00 177.10 175.26 1x5h n SER 32 N -1.44 0.00 0.00 -1.22 3.41 -1.26 -2.72 113.62 110.39 1x5h n SER 32 Ca 0.05 0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 1x5h n SER 32 Cb 0.62 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 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 -1.33 -0.26 -4.09 4.33 2.85 -1.26 -2.37 118.16 116.02 1x5h n LYS 33 Ca 0.09 -0.30 -0.14 0.00 -1.05 0.00 0.00 58.31 56.91 1x5h n LYS 33 Cb 0.18 -0.78 -0.12 0.00 -0.65 0.00 0.00 35.03 33.67 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 -0.05 1.09 -0.16 -5.58 0.15 -1.10 0.30 113.70 108.35 1x5h s SER 34 Ca 0.00 -0.58 -0.04 0.00 0.70 0.00 0.00 55.95 56.03 1x5h s SER 34 Cb 0.00 0.01 0.08 0.00 -1.71 0.00 0.00 66.02 64.40 1x5h s SER 34 CO 0.00 -0.17 0.25 -0.63 1.20 0.00 0.00 173.24 173.88 1x5h s ILE 35 N -1.39 -0.38 -0.05 6.45 1.01 -0.94 -1.98 121.20 123.92 1x5h s ILE 35 Ca -0.07 0.13 -0.27 0.00 0.00 0.00 0.00 60.65 60.43 1x5h s ILE 35 Cb -0.10 -0.54 -0.03 0.00 0.01 0.00 0.00 42.46 41.81 1x5h s ILE 35 CO 0.01 -0.01 0.86 -0.32 0.00 0.00 0.00 174.94 175.48 1x5h s MET 36 N 2.39 4.47 -0.29 2.79 -2.45 -0.86 -2.27 119.30 123.08 1x5h s MET 36 Ca 0.04 1.18 -0.10 0.00 -1.25 0.00 0.00 55.69 55.56 1x5h s MET 36 Cb -0.14 -3.48 -0.03 0.00 1.25 0.00 0.00 34.83 32.44 1x5h s MET 36 CO -0.10 -0.06 0.15 0.42 1.05 0.00 0.00 175.02 176.48 1x5h s ILE 37 N 1.15 4.81 -0.26 10.11 1.01 0.17 0.26 121.20 138.46 1x5h s ILE 37 Ca 0.45 -0.15 -0.05 0.00 0.00 0.00 0.00 60.65 60.90 1x5h s ILE 37 Cb -0.19 -3.35 0.01 0.00 0.01 0.00 0.00 42.46 38.93 1x5h s ILE 37 CO 0.22 0.19 0.01 -1.00 0.00 0.00 0.00 174.94 174.36 1x5h s HIS 38 N 1.67 3.07 0.43 3.97 3.76 0.18 -2.50 115.29 125.88 1x5h s HIS 38 Ca 0.06 -1.06 0.04 0.00 -0.15 0.00 0.00 55.06 53.95 1x5h s HIS 38 Cb -0.16 -2.17 -0.02 0.00 1.11 0.00 0.00 32.58 31.35 1x5h s HIS 38 CO 0.07 -0.59 0.14 1.67 -0.85 0.00 0.00 174.74 175.19 1x5h s TRP 39 N 1.46 1.78 0.03 1.40 -2.14 -0.98 -0.40 118.94 120.09 1x5h s TRP 39 Ca 0.03 -1.34 -0.11 0.00 2.66 0.00 0.00 56.10 57.34 1x5h s TRP 39 Cb -0.16 -1.16 0.01 0.00 -3.10 0.00 0.00 33.47 29.06 1x5h s TRP 39 CO -0.01 -0.34 0.23 -0.65 -2.66 0.00 0.00 176.95 173.52 1x5h s GLN 40 N -3.66 0.69 0.40 3.25 -0.21 -0.28 -4.80 119.66 115.05 1x5h s GLN 40 Ca 0.21 -0.51 -0.25 0.00 0.02 0.00 0.00 55.36 54.82 1x5h s GLN 40 Cb 0.01 0.29 -0.09 0.00 1.00 0.00 0.00 33.01 34.23 1x5h s GLN 40 CO 0.14 -0.20 1.19 -1.25 -2.12 0.00 0.00 175.29 173.05 1x5h s PRO 41 N -2.25 4.06 1.04 2.91 0.04 -1.26 -1.24 135.00 138.29 1x5h s PRO 41 Ca -0.07 1.90 -0.13 0.00 0.04 0.00 0.00 61.00 62.73 1x5h s PRO 41 Cb -0.02 -2.71 0.21 0.00 0.04 0.00 0.00 34.50 32.02 1x5h s PRO 41 CO -0.02 -0.33 1.10 -1.25 0.04 0.00 0.00 177.00 176.54 1x5h s PRO 42 N -2.25 0.10 0.72 0.56 0.04 -1.26 -4.52 135.00 128.39 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 0.01 0.00 0.04 0.00 0.00 34.50 32.52 1x5h s PRO 42 CO 0.41 -2.93 1.00 0.00 0.04 0.00 0.00 177.00 175.51 1x5h n ALA 43 N -4.29 -0.16 0.03 8.56 0.00 -1.26 -4.88 120.51 118.51 1x5h n ALA 43 Ca 0.06 -0.19 -0.06 0.00 0.00 0.00 0.00 53.44 53.26 1x5h n ALA 43 Cb 0.58 -2.13 0.14 0.00 0.00 0.00 0.00 19.45 18.03 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 -0.25 0.43 -0.18 0.00 0.13 -1.95 -2.74 132.00 127.44 1x5h h PRO 44 Ca -0.47 -0.23 -0.05 0.00 -0.87 0.00 0.00 66.00 64.38 1x5h h PRO 44 Cb 1.33 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 1x5h h PRO 44 CO 0.47 0.79 -0.11 0.00 -0.23 0.00 0.00 178.00 178.92 1x5h h ALA 45 N 1.18 1.47 0.00 -0.56 0.00 -2.04 -2.51 119.26 116.79 1x5h h ALA 45 Ca 0.03 -0.21 -0.19 0.00 0.00 0.00 0.00 54.91 54.54 1x5h h ALA 45 Cb 0.92 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1x5h h ALA 45 CO 0.08 0.37 -0.90 1.79 0.00 0.00 0.00 179.25 180.60 1x5h h THR 46 N 0.27 1.57 -3.74 0.00 1.35 -1.90 -3.46 112.91 107.01 1x5h h THR 46 Ca 0.06 -3.14 -0.56 0.00 -0.55 0.00 0.00 66.41 62.21 1x5h h THR 46 Cb 0.38 2.73 0.14 0.00 -1.73 0.00 0.00 68.15 69.67 1x5h h THR 46 CO 0.02 0.88 0.44 0.00 -0.25 0.00 0.00 175.52 176.61 1x5h n GLN 47 N -3.37 1.54 -0.00 4.72 6.02 -0.95 -4.68 117.38 120.66 1x5h n GLN 47 Ca 0.00 0.56 0.02 0.00 -0.01 0.00 0.00 57.00 57.58 1x5h n GLN 47 Cb 0.88 -2.40 -0.03 0.00 1.02 0.00 0.00 30.24 29.71 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 -0.57 3.71 0.00 1.08 3.02 -1.26 -5.01 115.26 116.23 1x5h n ASN 48 Ca 0.10 -0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 1x5h n ASN 48 Cb 0.44 1.16 0.00 0.00 -0.61 0.00 0.00 39.78 40.76 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 2.16 4.31 3.20 7.41 0.00 -1.26 -5.08 105.19 115.93 1x5h n GLY 49 Ca -0.01 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.31 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 4.67 2.94 -0.15 1.61 0.74 -1.26 -5.03 119.66 123.18 1x5h s GLN 50 Ca 0.00 -0.84 -0.29 0.00 0.05 0.00 0.00 55.36 54.28 1x5h s GLN 50 Cb 0.00 -2.26 -0.01 0.00 1.10 0.00 0.00 33.01 31.84 1x5h s GLN 50 CO 0.00 0.13 1.17 0.42 -0.55 0.00 0.00 175.29 176.46 1x5h s ILE 51 N 0.46 4.41 -0.20 -2.34 1.01 -1.26 -3.23 121.20 120.05 1x5h s ILE 51 Ca -0.16 1.71 0.13 0.00 0.00 0.00 0.00 60.65 62.33 1x5h s ILE 51 Cb -0.17 -4.10 -0.22 0.00 0.01 0.00 0.00 42.46 37.97 1x5h s ILE 51 CO 0.06 -0.10 -0.00 0.35 0.00 0.00 0.00 174.94 175.25 1x5h n THR 52 N 5.11 1.34 -3.68 2.92 -2.24 -0.14 -4.77 114.28 112.82 1x5h n THR 52 Ca 0.12 -0.75 -0.01 0.00 -2.27 0.00 0.00 64.05 61.14 1x5h n THR 52 Cb 0.46 -0.70 -0.01 0.00 -2.10 0.00 0.00 70.33 67.98 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 -5.60 -0.32 0.21 3.38 0.00 -1.22 -0.56 107.32 103.21 1x5h s GLY 53 Ca -0.15 0.46 0.10 0.00 0.00 0.00 0.00 44.72 45.13 1x5h s GLY 53 CO 0.73 0.08 -0.16 -0.19 0.00 0.00 0.00 173.10 173.57 1x5h s TYR 54 N -2.86 2.46 -0.30 1.90 1.51 -1.19 0.18 117.35 119.05 1x5h s TYR 54 Ca 0.13 -0.29 0.03 0.00 -1.01 0.00 0.00 57.07 55.93 1x5h s TYR 54 Cb 0.01 -1.17 0.08 0.00 -0.11 0.00 0.00 41.96 40.77 1x5h s TYR 54 CO -0.01 0.56 -0.03 0.21 -1.11 0.00 0.00 175.55 175.16 1x5h s LYS 55 N -2.98 1.93 -0.23 -0.62 2.20 0.98 -0.87 119.74 120.15 1x5h s LYS 55 Ca 0.25 -1.58 -0.13 0.00 -0.36 0.00 0.00 55.97 54.15 1x5h s LYS 55 Cb -0.08 -3.05 -0.04 0.00 -1.51 0.00 0.00 37.83 33.15 1x5h s LYS 55 CO 0.14 -0.74 0.29 0.42 -0.36 0.00 0.00 175.35 175.10 1x5h s ILE 56 N 1.02 5.27 0.09 5.43 1.01 0.11 -2.13 121.20 132.00 1x5h s ILE 56 Ca -0.00 0.45 0.07 0.00 0.00 0.00 0.00 60.65 61.17 1x5h s ILE 56 Cb -0.20 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.62 1x5h s ILE 56 CO -0.06 0.28 -0.18 -0.13 0.00 0.00 0.00 174.94 174.85 1x5h s ARG 57 N 1.29 1.00 0.13 2.79 0.52 -0.67 -1.16 118.95 122.85 1x5h s ARG 57 Ca 0.13 -1.08 -0.12 0.00 -0.52 0.00 0.00 55.73 54.14 1x5h s ARG 57 Cb -0.14 -1.15 0.01 0.00 0.52 0.00 0.00 34.95 34.19 1x5h s ARG 57 CO 0.07 0.26 0.31 1.52 0.02 0.00 0.00 175.30 177.48 1x5h s TYR 58 N -1.24 0.09 0.33 -0.53 1.13 -1.21 -1.43 117.35 114.48 1x5h s TYR 58 Ca 0.03 -0.46 -0.08 0.00 -1.41 0.00 0.00 57.07 55.15 1x5h s TYR 58 Cb -0.10 0.08 0.01 0.00 -1.10 0.00 0.00 41.96 40.85 1x5h s TYR 58 CO 0.03 -0.67 0.53 -0.98 -2.51 0.00 0.00 175.55 171.96 1x5h s ARG 59 N -3.87 1.88 -0.22 -3.49 1.70 -0.92 -2.06 118.95 111.97 1x5h s ARG 59 Ca 0.08 -1.56 -0.12 0.00 -0.47 0.00 0.00 55.73 53.66 1x5h s ARG 59 Cb 0.03 0.49 -0.05 0.00 -0.57 0.00 0.00 34.95 34.85 1x5h s ARG 59 CO -0.08 -0.80 0.22 0.15 -1.08 0.00 0.00 175.30 173.71 1x5h s LYS 60 N -3.17 4.14 0.18 3.89 1.02 -1.02 -1.93 119.74 122.86 1x5h s LYS 60 Ca 0.26 -0.13 -0.13 0.00 0.02 0.00 0.00 55.97 55.99 1x5h s LYS 60 Cb -0.01 -3.50 0.20 0.00 -0.52 0.00 0.00 37.83 33.99 1x5h s LYS 60 CO 0.16 0.11 1.21 0.00 -0.92 0.00 0.00 175.35 175.90 1x5h n ALA 61 N 4.10 -0.08 -0.04 5.17 0.00 -1.22 0.17 120.51 128.60 1x5h n ALA 61 Ca -0.14 0.78 -0.14 0.00 0.00 0.00 0.00 53.44 53.94 1x5h n ALA 61 Cb 0.52 -0.36 -0.08 0.00 0.00 0.00 0.00 19.45 19.53 1x5h n ALA 61 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1x5h h SER 62 N 0.00 0.38 -2.99 0.00 0.02 -1.94 -3.35 113.55 105.67 1x5h h SER 62 Ca 0.28 -0.57 -0.76 0.00 -0.84 0.00 0.00 61.79 59.89 1x5h h SER 62 Cb 0.47 -0.11 -0.31 0.00 0.14 0.00 0.00 62.40 62.59 1x5h h SER 62 CO -0.77 0.89 0.40 -1.14 -1.14 0.00 0.00 176.83 175.07 1x5h n ARG 63 N -4.49 3.77 -0.11 3.45 0.63 0.13 -4.83 116.66 115.21 1x5h n ARG 63 Ca -0.07 -4.55 -0.12 0.00 -0.92 0.00 0.00 57.85 52.19 1x5h n ARG 63 Cb 0.44 -2.47 -0.03 0.00 0.45 0.00 0.00 32.46 30.85 1x5h n ARG 63 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 1x5h h LYS 64 N 5.56 0.72 -0.93 -0.14 1.57 -1.19 -2.68 116.57 119.48 1x5h h LYS 64 Ca 0.19 -0.33 0.27 0.00 -1.87 0.00 0.00 60.65 58.91 1x5h h LYS 64 Cb 0.70 -0.01 -0.16 0.00 0.08 0.00 0.00 32.23 32.83 1x5h h LYS 64 CO 1.14 0.93 0.19 0.77 -0.57 0.00 0.00 179.45 181.91 1x5h h SER 65 N 0.49 -0.14 -3.11 0.86 0.02 -1.88 -3.35 113.55 106.45 1x5h h SER 65 Ca 0.07 0.24 -0.57 0.00 -0.84 0.00 0.00 61.79 60.69 1x5h h SER 65 Cb 0.73 0.35 -0.05 0.00 0.14 0.00 0.00 62.40 63.57 1x5h h SER 65 CO 0.05 -0.27 1.12 -0.62 -1.14 0.00 0.00 176.83 175.97 1x5h s ASP 66 N -4.99 6.21 0.03 3.07 2.15 -1.19 -4.99 116.67 116.96 1x5h s ASP 66 Ca -0.12 0.84 0.07 0.00 0.43 0.00 0.00 52.55 53.76 1x5h s ASP 66 Cb 0.28 -2.54 -0.02 0.00 -0.30 0.00 0.00 42.92 40.34 1x5h s ASP 66 CO 0.77 -1.53 -0.19 -0.69 -0.17 0.00 0.00 175.17 173.36 1x5h s VAL 67 N 5.83 1.56 -0.11 1.11 1.01 -1.26 -4.08 120.40 124.45 1x5h s VAL 67 Ca 0.64 -1.06 -0.02 0.00 0.00 0.00 0.00 61.98 61.53 1x5h s VAL 67 Cb -0.15 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 1x5h s VAL 67 CO 0.32 0.25 -0.03 -0.89 0.00 0.00 0.00 175.10 174.75 1x5h s THR 68 N -0.70 4.03 -0.25 3.92 2.01 -0.87 -4.97 115.64 118.81 1x5h s THR 68 Ca 0.07 -0.33 -0.12 0.00 0.31 0.00 0.00 61.69 61.61 1x5h s THR 68 Cb -0.08 -2.72 -0.05 0.00 0.01 0.00 0.00 72.50 69.66 1x5h s THR 68 CO 0.01 0.55 0.24 -0.70 -0.69 0.00 0.00 174.62 174.03 1x5h s GLU 69 N -0.30 4.04 -0.31 4.92 2.12 -1.26 -3.35 118.70 124.56 1x5h s GLU 69 Ca 0.05 -0.16 0.01 0.00 0.36 0.00 0.00 54.97 55.23 1x5h s GLU 69 Cb -0.12 -3.60 0.10 0.00 0.26 0.00 0.00 34.13 30.76 1x5h s GLU 69 CO 0.02 -0.09 0.07 0.99 -0.54 0.00 0.00 175.26 175.71 1x5h s THR 70 N 1.49 1.39 -0.14 -1.70 2.01 -0.31 -5.02 115.64 113.36 1x5h s THR 70 Ca 0.10 -1.67 -0.22 0.00 0.31 0.00 0.00 61.69 60.21 1x5h s THR 70 Cb -0.15 -2.00 -0.03 0.00 0.01 0.00 0.00 72.50 70.33 1x5h s THR 70 CO 0.08 -0.58 0.64 -0.22 -0.69 0.00 0.00 174.62 173.85 1x5h s LEU 71 N 1.37 4.22 0.00 4.42 1.98 -1.26 -0.71 118.68 128.70 1x5h s LEU 71 Ca 0.08 0.97 0.01 0.00 -2.89 0.00 0.00 54.13 52.31 1x5h s LEU 71 Cb -0.18 -2.95 0.01 0.00 0.66 0.00 0.00 46.19 43.74 1x5h s LEU 71 CO -0.17 -0.19 0.11 1.33 -1.89 0.00 0.00 176.35 175.54 1x5h n VAL 72 N 4.23 0.00 -2.51 1.68 0.24 -0.05 -5.00 118.33 116.92 1x5h n VAL 72 Ca -0.02 -1.47 -0.27 0.00 -2.04 0.00 0.00 64.34 60.55 1x5h n VAL 72 Cb 0.50 0.10 0.02 0.00 -1.47 0.00 0.00 33.84 32.99 1x5h n VAL 72 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1x5h s SER 73 N -2.88 5.89 0.01 -1.34 0.15 -1.26 -3.15 113.70 111.12 1x5h s SER 73 Ca 0.08 0.79 -0.25 0.00 0.70 0.00 0.00 55.95 57.28 1x5h s SER 73 Cb -0.01 -1.93 -0.16 0.00 -1.71 0.00 0.00 66.02 62.21 1x5h s SER 73 CO 0.05 -0.84 1.19 1.23 1.20 0.00 0.00 173.24 176.07 1x5h h GLY 74 N 0.01 -0.53 2.00 9.45 0.00 -1.13 -2.91 103.07 109.97 1x5h h GLY 74 Ca -0.46 0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1x5h h GLY 74 CO 0.61 -0.19 0.00 -0.37 0.00 0.00 0.00 176.54 176.59 1x5h n THR 75 N -5.18 1.34 -2.76 4.70 5.66 -1.26 -4.54 114.28 112.24 1x5h n THR 75 Ca -0.10 0.45 -0.43 0.00 -3.05 0.00 0.00 64.05 60.92 1x5h n THR 75 Cb 0.28 -1.37 -0.03 0.00 -1.55 0.00 0.00 70.33 67.65 1x5h n THR 75 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 1x5h s GLN 76 N -3.18 3.93 -0.13 1.09 0.74 -1.10 -4.89 119.66 116.13 1x5h s GLN 76 Ca 0.02 0.75 0.15 0.00 0.05 0.00 0.00 55.36 56.33 1x5h s GLN 76 Cb 0.05 -3.77 0.47 0.00 1.10 0.00 0.00 33.01 30.86 1x5h s GLN 76 CO 0.17 -0.91 1.38 1.28 -0.55 0.00 0.00 175.29 176.67 1x5h n LEU 77 N 6.77 3.66 -3.81 3.68 4.77 -1.26 -4.71 117.00 126.10 1x5h n LEU 77 Ca 0.09 -2.73 -0.12 0.00 -0.03 0.00 0.00 56.01 53.21 1x5h n LEU 77 Cb 0.48 -0.46 -0.10 0.00 -2.33 0.00 0.00 43.42 41.01 1x5h n LEU 77 CO 0.58 0.69 -0.08 -0.94 -1.33 0.00 0.00 177.39 176.31 1x5h s SER 78 N -1.64 -0.13 -0.15 -1.43 1.04 -1.26 -2.32 113.70 107.81 1x5h s SER 78 Ca 0.37 0.09 -0.18 0.00 0.48 0.00 0.00 55.95 56.71 1x5h s SER 78 Cb 0.28 0.33 0.05 0.00 0.10 0.00 0.00 66.02 66.77 1x5h s SER 78 CO 0.11 -0.32 0.48 -1.58 0.98 0.00 0.00 173.24 172.90 1x5h s GLN 79 N -0.96 0.62 -0.20 4.02 2.00 -1.04 -4.99 119.66 119.10 1x5h s GLN 79 Ca -0.10 0.53 -0.06 0.00 -2.00 0.00 0.00 55.36 53.73 1x5h s GLN 79 Cb -0.05 0.30 -0.03 0.00 0.80 0.00 0.00 33.01 34.03 1x5h s GLN 79 CO 0.02 -0.10 0.03 -1.17 -0.50 0.00 0.00 175.29 173.56 1x5h s LEU 80 N -0.06 3.41 -0.62 3.68 2.96 -1.26 -0.65 118.68 126.13 1x5h s LEU 80 Ca -0.03 -0.14 -0.07 0.00 -0.22 0.00 0.00 54.13 53.67 1x5h s LEU 80 Cb -0.03 -1.87 0.16 0.00 0.50 0.00 0.00 46.19 44.95 1x5h s LEU 80 CO 0.02 0.07 0.48 -0.63 -1.32 0.00 0.00 176.35 174.97 1x5h s ILE 81 N 0.97 4.30 0.43 6.68 -1.09 -0.96 -4.96 121.20 126.56 1x5h s ILE 81 Ca 0.02 -2.45 -0.02 0.00 -2.23 0.00 0.00 60.65 55.97 1x5h s ILE 81 Cb -0.14 -3.77 -0.03 0.00 -1.58 0.00 0.00 42.46 36.94 1x5h s ILE 81 CO 0.02 -0.88 0.67 -1.61 -1.23 0.00 0.00 174.94 171.92 1x5h s GLU 82 N 0.47 3.40 0.00 2.79 2.02 -1.26 -2.20 118.70 123.92 1x5h s GLU 82 Ca 0.13 -0.15 0.00 0.00 0.02 0.00 0.00 54.97 54.97 1x5h s GLU 82 Cb -0.20 -2.52 0.00 0.00 0.10 0.00 0.00 34.13 31.51 1x5h s GLU 82 CO -0.04 -0.09 0.00 0.41 0.02 0.00 0.00 175.26 175.56 1x5h n GLY 83 N -2.05 0.96 2.22 -1.39 0.00 -0.30 -4.96 105.19 99.67 1x5h n GLY 83 Ca -0.01 -0.30 -0.14 0.00 0.00 0.00 0.00 46.02 45.57 1x5h n GLY 83 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x5h n LEU 84 N -0.24 0.00 -4.36 0.99 4.77 0.15 -5.03 117.00 113.28 1x5h n LEU 84 Ca 0.00 -1.58 -0.31 0.00 -0.03 0.00 0.00 56.01 54.08 1x5h n LEU 84 Cb 0.23 -0.10 -0.15 0.00 -2.33 0.00 0.00 43.42 41.07 1x5h n LEU 84 CO 0.00 -0.51 -0.54 -1.81 -1.33 0.00 0.00 177.39 173.21 1x5h s ASP 85 N -2.93 3.32 0.77 -1.43 1.01 -1.26 -4.55 116.67 111.60 1x5h s ASP 85 Ca 0.24 -0.40 -0.11 0.00 0.71 0.00 0.00 52.55 53.00 1x5h s ASP 85 Cb -0.02 -0.48 0.06 0.00 1.01 0.00 0.00 42.92 43.49 1x5h s ASP 85 CO 0.15 0.33 1.09 0.00 0.21 0.00 0.00 175.17 176.94 1x5h s ARG 86 N -0.65 2.26 -1.64 8.23 1.70 -1.00 -3.65 118.95 124.20 1x5h s ARG 86 Ca 0.10 1.09 -0.09 0.00 -0.47 0.00 0.00 55.73 56.37 1x5h s ARG 86 Cb -0.10 -1.90 0.08 0.00 -0.57 0.00 0.00 34.95 32.46 1x5h s ARG 86 CO -0.01 -1.62 0.31 0.41 -1.08 0.00 0.00 175.30 173.31 1x5h n GLY 87 N -1.34 -0.25 2.85 3.88 0.00 -1.25 -4.93 105.19 104.16 1x5h n GLY 87 Ca 0.09 0.14 -0.16 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.90 -0.17 0.20 2.61 2.01 -1.24 -4.97 115.64 110.18 1x5h s THR 88 Ca 0.31 0.30 -0.31 0.00 0.31 0.00 0.00 61.69 62.30 1x5h s THR 88 Cb -0.18 -0.25 -0.10 0.00 0.01 0.00 0.00 72.50 71.98 1x5h s THR 88 CO 0.98 0.12 1.47 -0.70 -0.69 0.00 0.00 174.62 175.80 1x5h s GLU 89 N 1.84 4.26 0.02 4.92 2.12 -1.26 -3.82 118.70 126.79 1x5h s GLU 89 Ca -0.02 2.28 0.05 0.00 0.36 0.00 0.00 54.97 57.64 1x5h s GLU 89 Cb -0.12 -3.15 -0.02 0.00 0.26 0.00 0.00 34.13 31.11 1x5h s GLU 89 CO -0.05 -0.47 -0.16 0.71 -0.54 0.00 0.00 175.26 174.74 1x5h s TYR 90 N 0.52 1.42 -0.15 5.30 2.02 -0.28 -3.44 117.35 122.73 1x5h s TYR 90 Ca 0.63 -0.32 -0.06 0.00 -0.37 0.00 0.00 57.07 56.95 1x5h s TYR 90 Cb -0.41 -0.87 -0.04 0.00 -0.40 0.00 0.00 41.96 40.24 1x5h s TYR 90 CO 0.37 0.02 0.08 -0.80 -1.57 0.00 0.00 175.55 173.65 1x5h s ASN 91 N -0.83 5.80 0.06 2.29 0.02 -0.81 -0.96 114.94 120.52 1x5h s ASN 91 Ca 0.05 0.21 0.04 0.00 -1.02 0.00 0.00 52.86 52.14 1x5h s ASN 91 Cb -0.07 -1.90 -0.03 0.00 0.02 0.00 0.00 41.25 39.27 1x5h s ASN 91 CO 0.01 0.28 -0.11 -0.36 0.02 0.00 0.00 177.10 176.93 1x5h s PHE 92 N -0.27 1.00 -0.23 2.20 0.40 -0.80 -2.16 117.98 118.11 1x5h s PHE 92 Ca 0.09 -0.50 -0.20 0.00 -0.60 0.00 0.00 56.93 55.72 1x5h s PHE 92 Cb -0.12 -0.57 0.06 0.00 0.51 0.00 0.00 43.02 42.90 1x5h s PHE 92 CO 0.01 -0.00 0.61 -0.98 0.70 0.00 0.00 175.22 175.56 1x5h s ARG 93 N -1.79 0.69 -0.05 0.44 1.70 -0.51 -2.07 118.95 117.35 1x5h s ARG 93 Ca -0.04 0.89 0.04 0.00 -0.47 0.00 0.00 55.73 56.15 1x5h s ARG 93 Cb -0.09 0.30 -0.02 0.00 -0.57 0.00 0.00 34.95 34.56 1x5h s ARG 93 CO 0.01 -0.10 -0.15 0.08 -1.08 0.00 0.00 175.30 174.06 1x5h s VAL 94 N 0.56 2.97 0.01 4.99 1.01 -1.26 -1.66 120.40 127.01 1x5h s VAL 94 Ca -0.02 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.24 1x5h s VAL 94 Cb -0.05 -2.16 -0.01 0.00 0.00 0.00 0.00 36.38 34.16 1x5h s VAL 94 CO -0.03 0.59 -0.09 0.00 0.00 0.00 0.00 175.10 175.57 1x5h s ALA 95 N -0.64 0.74 0.07 5.51 0.00 -0.91 -1.16 121.76 125.38 1x5h s ALA 95 Ca 0.10 -0.47 -0.15 0.00 0.00 0.00 0.00 51.96 51.43 1x5h s ALA 95 Cb -0.11 -0.15 -0.06 0.00 0.00 0.00 0.00 23.12 22.80 1x5h s ALA 95 CO 0.01 0.15 0.49 0.00 0.00 0.00 0.00 175.76 176.41 1x5h s ALA 96 N -0.42 3.64 -0.04 0.00 0.00 -1.23 -0.01 121.76 123.69 1x5h s ALA 96 Ca 0.01 -0.14 0.07 0.00 0.00 0.00 0.00 51.96 51.90 1x5h s ALA 96 Cb -0.05 -2.48 -0.02 0.00 0.00 0.00 0.00 23.12 20.58 1x5h s ALA 96 CO -0.00 0.46 -0.24 -0.51 0.00 0.00 0.00 175.76 175.47 1x5h s LEU 97 N -1.44 2.15 0.00 0.00 1.43 0.13 0.73 118.68 121.68 1x5h s LEU 97 Ca 0.30 -0.45 0.04 0.00 -1.03 0.00 0.00 54.13 52.99 1x5h s LEU 97 Cb -0.17 -1.38 -0.02 0.00 0.03 0.00 0.00 46.19 44.66 1x5h s LEU 97 CO 0.17 0.29 0.15 0.35 0.23 0.00 0.00 176.35 177.54 1x5h n THR 98 N 2.62 0.00 -0.03 5.49 -2.24 0.91 -0.97 114.28 120.06 1x5h n THR 98 Ca -0.17 -2.33 0.07 0.00 -2.27 0.00 0.00 64.05 59.35 1x5h n THR 98 Cb 0.51 0.85 0.45 0.00 -2.10 0.00 0.00 70.33 70.05 1x5h n THR 98 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1x5h h ILE 99 N 1.67 1.03 0.00 2.28 6.09 -1.95 0.37 117.51 127.00 1x5h h ILE 99 Ca -0.31 -0.17 -0.00 0.00 -1.37 0.00 0.00 64.86 63.01 1x5h h ILE 99 Cb 1.19 0.48 -0.00 0.00 0.47 0.00 0.00 36.82 38.96 1x5h h ILE 99 CO 0.49 0.09 -0.01 0.78 -3.07 0.00 0.00 178.15 176.43 1x5h h ASN 100 N 0.50 0.00 0.00 2.19 -0.26 -1.92 -3.49 115.58 112.60 1x5h h ASN 100 Ca 0.20 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.94 1x5h h ASN 100 Cb 0.16 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.42 1x5h h ASN 100 CO -0.05 0.01 0.00 0.61 -1.06 0.00 0.00 177.43 176.94 1x5h n GLY 101 N -0.17 0.50 3.95 2.83 0.00 0.12 -4.56 105.19 107.85 1x5h n GLY 101 Ca -0.00 -1.21 -0.24 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.96 3.10 0.00 2.61 -4.23 -1.26 -0.06 115.64 112.84 1x5h s THR 102 Ca 0.00 -0.39 0.00 0.00 -1.18 0.00 0.00 61.69 60.12 1x5h s THR 102 Cb 0.00 -3.21 0.00 0.00 1.34 0.00 0.00 72.50 70.63 1x5h s THR 102 CO 0.00 -0.18 0.00 0.61 -0.54 0.00 0.00 174.62 174.51 1x5h n GLY 103 N -2.46 4.28 3.74 3.99 0.00 0.22 -4.09 105.19 110.87 1x5h n GLY 103 Ca 0.06 -2.14 -0.30 0.00 0.00 0.00 0.00 46.02 43.64 1x5h n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5h s PRO 104 N -1.91 1.64 -0.02 1.61 0.04 -1.26 -4.65 135.00 130.45 1x5h s PRO 104 Ca 0.00 0.95 0.05 0.00 0.04 0.00 0.00 61.00 62.05 1x5h s PRO 104 Cb 0.00 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.67 1x5h s PRO 104 CO 0.00 -2.02 -0.17 0.00 0.04 0.00 0.00 177.00 174.86 1x5h s ALA 105 N -2.92 2.59 0.27 8.56 0.00 -1.26 -3.50 121.76 125.49 1x5h s ALA 105 Ca 0.63 -1.06 -0.29 0.00 0.00 0.00 0.00 51.96 51.23 1x5h s ALA 105 Cb -0.18 -0.85 -0.09 0.00 0.00 0.00 0.00 23.12 22.00 1x5h s ALA 105 CO 0.57 0.56 1.23 0.95 0.00 0.00 0.00 175.76 179.06 1x5h s THR 106 N -0.78 3.17 0.16 0.00 -4.23 -0.31 -4.92 115.64 108.74 1x5h s THR 106 Ca 0.12 1.10 -0.29 0.00 -1.18 0.00 0.00 61.69 61.44 1x5h s THR 106 Cb -0.10 -3.70 -0.17 0.00 1.34 0.00 0.00 72.50 69.86 1x5h s THR 106 CO 0.02 0.23 0.60 0.47 -0.54 0.00 0.00 174.62 175.40 1x5h n ASP 107 N 1.52 -1.03 -4.51 3.99 8.00 -1.26 -4.50 116.55 118.76 1x5h n ASP 107 Ca 0.01 1.11 -0.44 0.00 0.71 0.00 0.00 54.79 56.19 1x5h n ASP 107 Cb 0.43 -0.93 -0.06 0.00 -0.02 0.00 0.00 41.12 40.55 1x5h n ASP 107 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1x5h n TRP 108 N 0.24 1.51 -3.38 1.24 7.02 -1.26 -4.82 117.44 117.98 1x5h n TRP 108 Ca 0.18 0.16 -0.42 0.00 -1.02 0.00 0.00 57.50 56.41 1x5h n TRP 108 Cb 0.22 -2.58 -0.09 0.00 -2.42 0.00 0.00 31.31 26.43 1x5h n TRP 108 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 1x5h s LEU 109 N 9.09 4.63 0.12 -0.99 2.96 -0.88 -4.92 118.68 128.69 1x5h s LEU 109 Ca 1.08 -0.43 -0.21 0.00 -0.22 0.00 0.00 54.13 54.35 1x5h s LEU 109 Cb -0.61 -2.34 -0.07 0.00 0.50 0.00 0.00 46.19 43.67 1x5h s LEU 109 CO 0.40 -0.42 0.65 -0.94 -1.32 0.00 0.00 176.35 174.72 1x5h s SER 110 N 1.75 7.17 -0.05 3.68 1.04 -1.26 -1.91 113.70 124.13 1x5h s SER 110 Ca 0.11 1.40 -0.02 0.00 0.48 0.00 0.00 55.95 57.93 1x5h s SER 110 Cb -0.17 -2.41 0.03 0.00 0.10 0.00 0.00 66.02 63.58 1x5h s SER 110 CO 0.12 0.23 0.10 0.00 0.98 0.00 0.00 173.24 174.67 1x5h s ALA 111 N -1.17 -0.14 -0.34 5.32 0.00 -0.13 -4.94 121.76 120.36 1x5h s ALA 111 Ca 0.33 0.53 -0.12 0.00 0.00 0.00 0.00 51.96 52.69 1x5h s ALA 111 Cb -0.20 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.54 1x5h s ALA 111 CO 0.22 -0.13 0.22 -2.00 0.00 0.00 0.00 175.76 174.06 1x5h s GLU 112 N 1.09 3.39 1.24 0.00 2.12 -1.26 -1.13 118.70 124.16 1x5h s GLU 112 Ca -0.09 -0.70 -0.15 0.00 0.36 0.00 0.00 54.97 54.39 1x5h s GLU 112 Cb -0.12 -3.74 0.31 0.00 0.26 0.00 0.00 34.13 30.85 1x5h s GLU 112 CO -0.05 -0.46 1.00 0.95 -0.54 0.00 0.00 175.26 176.16 1x5h s THR 113 N 1.68 1.80 -0.17 -1.70 -4.23 -1.25 -4.94 115.64 106.84 1x5h s THR 113 Ca 0.05 0.00 -0.25 0.00 -1.18 0.00 0.00 61.69 60.32 1x5h s THR 113 Cb -0.17 -2.06 -0.02 0.00 1.34 0.00 0.00 72.50 71.59 1x5h s THR 113 CO 0.09 0.00 0.80 -0.36 -0.54 0.00 0.00 174.62 174.61 1x5h s PHE 114 N -2.41 3.42 0.55 3.99 0.08 -1.26 -3.93 117.98 118.42 1x5h s PHE 114 Ca 0.69 1.22 0.35 0.00 0.12 0.00 0.00 56.93 59.31 1x5h s PHE 114 Cb -0.22 -2.98 1.19 0.00 -0.57 0.00 0.00 43.02 40.44 1x5h s PHE 114 CO 0.63 -0.21 1.32 0.39 -0.10 0.00 0.00 175.22 177.25 1x5h n GLU 115 N 5.13 0.01 -3.80 0.44 1.02 -1.26 -4.09 120.64 118.09 1x5h n GLU 115 Ca 0.04 0.98 -0.07 0.00 -0.02 0.00 0.00 57.16 58.09 1x5h n GLU 115 Cb 0.49 -2.36 0.03 0.00 -0.02 0.00 0.00 31.44 29.58 1x5h n GLU 115 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1x5h n SER 116 N -3.41 -2.08 -4.57 1.62 2.88 -1.26 -4.61 113.62 102.19 1x5h n SER 116 Ca 0.31 -2.32 -0.40 0.00 -1.33 0.00 0.00 58.87 55.12 1x5h n SER 116 Cb 1.64 3.43 -0.02 0.00 -0.75 0.00 0.00 64.21 68.51 1x5h n SER 116 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 1x5h s ASP 117 N -3.21 6.47 -0.59 -3.46 1.47 -1.26 -4.80 116.67 111.29 1x5h s ASP 117 Ca 0.19 -1.74 0.05 0.00 1.18 0.00 0.00 52.55 52.23 1x5h s ASP 117 Cb -0.04 -2.57 0.19 0.00 -0.34 0.00 0.00 42.92 40.15 1x5h s ASP 117 CO 0.09 -1.54 0.49 0.18 0.68 0.00 0.00 175.17 175.07 1x5h n LEU 118 N 9.27 1.86 -3.74 2.11 7.99 -1.26 -5.03 117.00 128.20 1x5h n LEU 118 Ca 0.39 -4.96 -0.30 0.00 -0.01 0.00 0.00 56.01 51.14 1x5h n LEU 118 Cb 0.49 -0.25 -0.14 0.00 -0.11 0.00 0.00 43.42 43.41 1x5h n LEU 118 CO 0.69 1.85 -0.30 1.51 -1.51 0.00 0.00 177.39 179.64 1x5h s ASP 119 N -1.13 3.94 -0.22 -1.43 -4.77 -1.26 -4.95 116.67 106.85 1x5h s ASP 119 Ca 0.30 -2.05 0.16 0.00 -3.30 0.00 0.00 52.55 47.66 1x5h s ASP 119 Cb 0.02 -0.98 0.47 0.00 -1.09 0.00 0.00 42.92 41.34 1x5h s ASP 119 CO -0.15 -0.36 1.16 1.21 0.70 0.00 0.00 175.17 177.73 1x5h n GLU 120 N 4.31 2.02 -4.35 2.11 2.13 -1.26 -5.07 120.64 120.52 1x5h n GLU 120 Ca 0.03 -3.43 -0.19 0.00 0.66 0.00 0.00 57.16 54.23 1x5h n GLU 120 Cb 0.39 -1.55 -0.09 0.00 0.27 0.00 0.00 31.44 30.46 1x5h n GLU 120 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1x5h s THR 121 N -3.31 0.42 -0.08 6.31 -4.23 -1.26 -5.16 115.64 108.33 1x5h s THR 121 Ca 0.38 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.87 1x5h s THR 121 Cb 0.37 -2.53 0.03 0.00 1.34 0.00 0.00 72.50 71.72 1x5h s THR 121 CO -0.04 0.00 0.02 0.00 -0.54 0.00 0.00 174.62 174.05 1x5h s ARG 122 N -3.83 0.50 -0.05 3.99 1.70 -1.26 -5.11 118.95 114.89 1x5h s ARG 122 Ca 0.35 0.09 -0.34 0.00 -0.47 0.00 0.00 55.73 55.35 1x5h s ARG 122 Cb 0.05 -1.05 -0.12 0.00 -0.57 0.00 0.00 34.95 33.26 1x5h s ARG 122 CO 0.17 -0.35 1.84 1.55 -1.08 0.00 0.00 175.30 177.42 1x5h n VAL 123 N 5.16 0.50 -1.14 4.99 3.14 -1.26 -4.96 118.33 124.77 1x5h n VAL 123 Ca -0.07 -0.09 -0.29 0.00 -2.96 0.00 0.00 64.34 60.93 1x5h n VAL 123 Cb 0.50 -1.83 0.20 0.00 -1.06 0.00 0.00 33.84 31.65 1x5h n VAL 123 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1x5h s PRO 124 N 3.61 -0.20 0.37 1.45 0.04 -1.26 -5.07 135.00 133.93 1x5h s PRO 124 Ca 0.91 0.29 0.07 0.00 0.04 0.00 0.00 61.00 62.32 1x5h s PRO 124 Cb -0.69 -1.68 -0.02 0.00 0.04 0.00 0.00 34.50 32.15 1x5h s PRO 124 CO 0.49 -3.10 0.36 -1.21 0.04 0.00 0.00 177.00 173.58 1x5h s GLU 125 N -5.12 2.72 -0.09 4.56 0.41 -1.26 -5.08 118.70 114.84 1x5h s GLU 125 Ca 0.67 -1.33 -0.10 0.00 -0.41 0.00 0.00 54.97 53.80 1x5h s GLU 125 Cb -0.16 -2.51 -0.05 0.00 -1.78 0.00 0.00 34.13 29.64 1x5h s GLU 125 CO 0.57 -0.02 -0.21 0.28 -0.49 0.00 0.00 175.26 175.39 1x5h n VAL 126 N -1.49 1.28 -3.74 2.63 0.31 -1.26 -5.13 118.33 110.92 1x5h n VAL 126 Ca 0.01 0.13 0.01 0.00 -0.01 0.00 0.00 64.34 64.48 1x5h n VAL 126 Cb 0.60 -1.97 0.00 0.00 -0.91 0.00 0.00 33.84 31.56 1x5h n VAL 126 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1x5h s SER 127 N -6.08 -0.04 0.04 4.52 0.15 -1.26 -5.18 113.70 105.84 1x5h s SER 127 Ca -0.19 -0.21 0.04 0.00 0.70 0.00 0.00 55.95 56.29 1x5h s SER 127 Cb 0.04 0.20 -0.02 0.00 -1.71 0.00 0.00 66.02 64.53 1x5h s SER 127 CO 0.27 -0.38 -0.12 -0.83 1.20 0.00 0.00 173.24 173.38 1x5h s GLY 128 N -3.23 0.68 0.49 9.45 0.00 -1.26 -5.14 107.32 108.31 1x5h s GLY 128 Ca 0.19 -0.77 -0.22 0.00 0.00 0.00 0.00 44.72 43.92 1x5h s GLY 128 CO -0.02 -0.77 1.15 2.56 0.00 0.00 0.00 173.10 176.02 1x5h s PRO 129 N -1.20 3.60 0.47 2.90 0.04 -1.26 -5.06 135.00 134.49 1x5h s PRO 129 Ca -0.01 1.71 0.07 0.00 0.04 0.00 0.00 61.00 62.81 1x5h s PRO 129 Cb -0.08 -2.25 0.01 0.00 0.04 0.00 0.00 34.50 32.22 1x5h s PRO 129 CO 0.01 -0.67 0.44 -1.54 0.04 0.00 0.00 177.00 175.28 1x5h s SER 130 N -1.53 4.94 0.40 6.66 1.04 -1.26 -5.15 113.70 118.81 1x5h s SER 130 Ca 0.67 -0.90 0.04 0.00 0.48 0.00 0.00 55.95 56.25 1x5h s SER 130 Cb -0.27 -0.19 -0.05 0.00 0.10 0.00 0.00 66.02 65.61 1x5h s SER 130 CO 0.31 -0.87 0.04 -0.94 0.98 0.00 0.00 173.24 172.77 1x5h s SER 131 N -4.24 3.28 0.00 7.02 1.04 -1.26 -5.37 113.70 114.17 1x5h s SER 131 Ca 0.46 -1.48 0.00 0.00 0.48 0.00 0.00 55.95 55.41 1x5h s SER 131 Cb -0.03 0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.11 1x5h s SER 131 CO 0.27 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.45