#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 4.54 0.13 1.61 1.04 -1.26 -5.12 113.70 114.64 1x5h s SER 2 Ca 0.00 -0.06 0.02 0.00 0.48 0.00 0.00 55.95 56.39 1x5h s SER 2 Cb 0.00 -1.17 -0.04 0.00 0.10 0.00 0.00 66.02 64.91 1x5h s SER 2 CO 0.00 0.34 -0.04 -0.94 0.98 0.00 0.00 173.24 173.58 1x5h s SER 3 N -0.69 1.26 0.00 7.02 1.04 -1.26 -5.10 113.70 115.97 1x5h s SER 3 Ca 0.10 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.46 1x5h s SER 3 Cb -0.11 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.10 1x5h s SER 3 CO 0.02 -0.49 0.00 0.61 0.98 0.00 0.00 173.24 174.36 1x5h n GLY 4 N -0.14 0.13 0.79 7.32 0.00 -1.26 -5.12 105.19 106.92 1x5h n GLY 4 Ca -0.10 0.26 -0.02 0.00 0.00 0.00 0.00 46.02 46.17 1x5h n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x5h n SER 5 N 0.00 1.08 -3.66 1.61 2.88 -1.26 -5.15 113.62 109.12 1x5h n SER 5 Ca 0.00 0.15 0.01 0.00 -1.33 0.00 0.00 58.87 57.71 1x5h n SER 5 Cb 0.00 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.08 1x5h n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x5h s SER 6 N -5.74 -0.04 -0.01 -3.46 0.15 -1.26 -5.01 113.70 98.32 1x5h s SER 6 Ca -0.06 -0.20 -0.00 0.00 0.70 0.00 0.00 55.95 56.39 1x5h s SER 6 Cb 0.01 0.20 -0.00 0.00 -1.71 0.00 0.00 66.02 64.51 1x5h s SER 6 CO 0.09 -0.37 2.05 0.61 1.20 0.00 0.00 173.24 176.82 1x5h n GLY 7 N -0.60 2.56 4.43 9.45 0.00 -1.26 -4.75 105.19 115.02 1x5h n GLY 7 Ca -0.05 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 1x5h n GLY 7 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x5h n ASP 8 N 1.50 -1.33 -1.88 1.61 9.92 -1.26 -4.77 116.55 120.34 1x5h n ASP 8 Ca 0.02 -1.22 -0.14 0.00 -0.53 0.00 0.00 54.79 52.92 1x5h n ASP 8 Cb 0.52 -1.80 0.01 0.00 -0.64 0.00 0.00 41.12 39.20 1x5h n ASP 8 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1x5h n VAL 9 N -4.24 2.69 -4.57 2.53 0.24 -1.26 -4.88 118.33 108.85 1x5h n VAL 9 Ca -0.00 -1.56 -0.26 0.00 -2.04 0.00 0.00 64.34 60.48 1x5h n VAL 9 Cb 0.52 -1.42 -0.10 0.00 -1.47 0.00 0.00 33.84 31.36 1x5h n VAL 9 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x5h s ALA 10 N -1.34 2.95 -0.35 2.33 0.00 -1.26 -5.12 121.76 118.96 1x5h s ALA 10 Ca 0.29 -2.00 0.04 0.00 0.00 0.00 0.00 51.96 50.29 1x5h s ALA 10 Cb 0.21 0.37 0.10 0.00 0.00 0.00 0.00 23.12 23.80 1x5h s ALA 10 CO -0.03 -0.19 0.06 0.08 0.00 0.00 0.00 175.76 175.69 1x5h s VAL 11 N -2.96 2.25 0.22 0.00 1.01 -1.26 -4.99 120.40 114.66 1x5h s VAL 11 Ca 0.32 -2.38 -0.14 0.00 0.00 0.00 0.00 61.98 59.78 1x5h s VAL 11 Cb 0.08 -2.66 0.25 0.00 0.00 0.00 0.00 36.38 34.05 1x5h s VAL 11 CO 0.16 -0.61 1.60 0.03 0.00 0.00 0.00 175.10 176.28 1x5h h ARG 12 N 7.56 -0.04 -5.28 2.72 3.08 -2.00 -3.42 114.38 117.00 1x5h h ARG 12 Ca -0.05 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.44 1x5h h ARG 12 Cb 1.01 0.01 0.12 0.00 0.08 0.00 0.00 29.97 31.19 1x5h h ARG 12 CO 0.53 -0.03 -0.63 2.41 -1.07 0.00 0.00 179.97 181.18 1x5h n THR 13 N -5.47 1.23 -3.92 2.04 -1.04 -1.26 -4.93 114.28 100.94 1x5h n THR 13 Ca 0.08 -0.44 -0.30 0.00 -2.04 0.00 0.00 64.05 61.35 1x5h n THR 13 Cb 0.36 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.73 1x5h n THR 13 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 1x5h s LEU 14 N 3.17 4.02 0.04 -4.42 2.34 -1.26 -5.09 118.68 117.47 1x5h s LEU 14 Ca 0.54 -2.52 0.09 0.00 0.06 0.00 0.00 54.13 52.30 1x5h s LEU 14 Cb -0.70 -1.47 -0.03 0.00 -0.56 0.00 0.00 46.19 43.43 1x5h s LEU 14 CO 0.52 -0.31 -0.26 -0.44 -1.06 0.00 0.00 176.35 174.80 1x5h s SER 15 N 0.41 3.13 0.20 1.48 0.01 -1.26 -5.04 113.70 112.63 1x5h s SER 15 Ca 0.14 -0.57 -0.17 0.00 1.31 0.00 0.00 55.95 56.66 1x5h s SER 15 Cb -0.22 -0.29 0.19 0.00 0.21 0.00 0.00 66.02 65.90 1x5h s SER 15 CO -0.05 0.26 1.61 -2.24 0.41 0.00 0.00 173.24 173.23 1x5h h ASP 16 N 4.88 -0.81 -2.30 2.44 2.03 -1.98 -3.42 116.42 117.26 1x5h h ASP 16 Ca -0.46 0.20 -0.58 0.00 -0.73 0.00 0.00 57.03 55.47 1x5h h ASP 16 Cb 1.14 0.46 0.20 0.00 -0.83 0.00 0.00 39.33 40.30 1x5h h ASP 16 CO 0.44 -0.25 -1.15 1.33 -1.03 0.00 0.00 179.24 178.58 1x5h n VAL 17 N -5.44 0.45 -2.26 4.15 0.24 -1.26 -4.89 118.33 109.32 1x5h n VAL 17 Ca 0.06 -0.48 -0.36 0.00 -2.04 0.00 0.00 64.34 61.53 1x5h n VAL 17 Cb 0.34 -0.18 -0.00 0.00 -1.47 0.00 0.00 33.84 32.53 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 -1.69 3.46 -0.31 7.34 0.04 -1.26 -4.98 135.00 137.60 1x5h s PRO 18 Ca 0.55 1.65 0.10 0.00 0.04 0.00 0.00 61.00 63.34 1x5h s PRO 18 Cb -0.38 -2.11 0.46 0.00 0.04 0.00 0.00 34.50 32.52 1x5h s PRO 18 CO 0.68 -0.77 1.16 0.45 0.04 0.00 0.00 177.00 178.56 1x5h n SER 19 N -1.09 4.18 -3.90 6.66 2.88 -1.26 -4.12 113.62 116.96 1x5h n SER 19 Ca 0.11 -3.40 -0.24 0.00 -1.33 0.00 0.00 58.87 54.00 1x5h n SER 19 Cb 0.50 -0.39 -0.17 0.00 -0.75 0.00 0.00 64.21 63.41 1x5h n SER 19 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x5h s ALA 20 N -3.61 1.03 0.22 -1.46 0.00 -1.26 -5.00 121.76 111.68 1x5h s ALA 20 Ca 0.45 -0.31 0.07 0.00 0.00 0.00 0.00 51.96 52.17 1x5h s ALA 20 Cb 0.39 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 1x5h s ALA 20 CO -0.01 -0.20 0.11 0.00 0.00 0.00 0.00 175.76 175.66 1x5h s ALA 21 N 1.32 3.44 0.33 0.00 0.00 -1.26 -4.51 121.76 121.08 1x5h s ALA 21 Ca -0.03 -1.40 -0.28 0.00 0.00 0.00 0.00 51.96 50.24 1x5h s ALA 21 Cb -0.14 -1.17 -0.10 0.00 0.00 0.00 0.00 23.12 21.72 1x5h s ALA 21 CO -0.03 0.36 1.22 -1.25 0.00 0.00 0.00 175.76 176.06 1x5h s PRO 22 N -3.46 4.37 0.33 0.00 0.04 -1.26 -4.30 135.00 130.72 1x5h s PRO 22 Ca 0.31 2.02 0.03 0.00 0.04 0.00 0.00 61.00 63.41 1x5h s PRO 22 Cb -0.08 -3.03 0.03 0.00 0.04 0.00 0.00 34.50 31.46 1x5h s PRO 22 CO 0.22 -0.10 0.28 0.00 0.04 0.00 0.00 177.00 177.45 1x5h n GLN 23 N 0.76 0.97 -4.08 4.56 10.64 -1.12 -4.68 117.38 124.44 1x5h n GLN 23 Ca 0.01 -2.02 -0.33 0.00 -1.83 0.00 0.00 57.00 52.82 1x5h n GLN 23 Cb 0.44 0.16 -0.00 0.00 -0.86 0.00 0.00 30.24 29.97 1x5h n GLN 23 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1x5h n ASN 24 N -2.02 -3.97 -4.76 2.61 3.02 -1.26 -2.69 115.26 106.19 1x5h n ASN 24 Ca 0.01 -0.90 -0.36 0.00 -0.03 0.00 0.00 54.58 53.29 1x5h n ASN 24 Cb 0.37 -3.30 0.02 0.00 -0.61 0.00 0.00 39.78 36.27 1x5h n ASN 24 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1x5h s LEU 25 N -7.27 3.77 0.04 3.41 2.96 -1.26 -4.51 118.68 115.82 1x5h s LEU 25 Ca 0.69 2.39 -0.27 0.00 -0.22 0.00 0.00 54.13 56.72 1x5h s LEU 25 Cb -0.36 -4.48 0.08 0.00 0.50 0.00 0.00 46.19 41.92 1x5h s LEU 25 CO 0.88 -1.40 0.72 -0.44 -1.32 0.00 0.00 176.35 174.79 1x5h s SER 26 N -1.49 -0.54 -0.30 3.68 0.01 -0.18 -5.00 113.70 109.88 1x5h s SER 26 Ca 0.73 0.24 0.00 0.00 1.31 0.00 0.00 55.95 58.23 1x5h s SER 26 Cb -0.30 0.51 0.09 0.00 0.21 0.00 0.00 66.02 66.53 1x5h s SER 26 CO 0.34 -0.74 0.06 -0.76 0.41 0.00 0.00 173.24 172.55 1x5h s LEU 27 N -2.11 2.72 -1.23 2.44 1.43 -1.26 -1.16 118.68 119.50 1x5h s LEU 27 Ca -0.02 -1.62 -0.14 0.00 -1.03 0.00 0.00 54.13 51.32 1x5h s LEU 27 Cb -0.01 -1.04 0.15 0.00 0.03 0.00 0.00 46.19 45.32 1x5h s LEU 27 CO -0.04 -0.38 1.53 1.21 0.23 0.00 0.00 176.35 178.90 1x5h n GLU 28 N 4.72 3.35 -1.51 1.70 2.13 0.54 -4.89 120.64 126.68 1x5h n GLU 28 Ca -0.03 -3.72 -0.41 0.00 0.66 0.00 0.00 57.16 53.66 1x5h n GLU 28 Cb 0.43 -3.11 -0.08 0.00 0.27 0.00 0.00 31.44 28.95 1x5h n GLU 28 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1x5h n VAL 29 N 4.80 0.00 0.01 6.31 0.31 -1.26 -2.45 118.33 126.05 1x5h n VAL 29 Ca 0.39 -0.40 -0.13 0.00 -0.01 0.00 0.00 64.34 64.19 1x5h n VAL 29 Cb 0.43 -1.74 -0.09 0.00 -0.91 0.00 0.00 33.84 31.53 1x5h n VAL 29 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1x5h h ARG 30 N 15.36 -0.07 0.00 5.55 2.47 -1.90 -3.47 114.38 132.32 1x5h h ARG 30 Ca -0.18 0.01 -0.27 0.00 -1.26 0.00 0.00 59.98 58.27 1x5h h ARG 30 Cb 1.30 0.02 -0.07 0.00 -1.65 0.00 0.00 29.97 29.57 1x5h h ARG 30 CO 1.21 0.39 -0.25 0.09 0.56 0.00 0.00 179.97 181.98 1x5h n ASN 31 N -4.89 0.34 0.10 7.04 3.02 -1.05 -4.90 115.26 114.92 1x5h n ASN 31 Ca -0.09 -2.15 -0.02 0.00 -0.03 0.00 0.00 54.58 52.29 1x5h n ASN 31 Cb 0.26 0.72 -0.02 0.00 -0.61 0.00 0.00 39.78 40.12 1x5h n ASN 31 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1x5h h SER 32 N 0.97 0.00 -0.02 6.41 4.64 -1.89 -3.23 113.55 120.44 1x5h h SER 32 Ca -0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1x5h h SER 32 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1x5h h SER 32 CO 0.22 0.75 -0.04 2.29 -0.87 0.00 0.00 176.83 179.18 1x5h n LYS 33 N -3.33 1.73 -4.11 4.77 -0.00 -1.26 -3.78 118.16 112.18 1x5h n LYS 33 Ca 0.01 -1.60 -0.12 0.00 -0.00 0.00 0.00 58.31 56.59 1x5h n LYS 33 Cb 0.82 -1.38 -0.11 0.00 -0.00 0.00 0.00 35.03 34.36 1x5h n LYS 33 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1x5h s SER 34 N -1.71 1.03 -0.11 -5.58 0.01 -1.22 0.25 113.70 106.38 1x5h s SER 34 Ca 0.22 -0.74 -0.05 0.00 1.31 0.00 0.00 55.95 56.70 1x5h s SER 34 Cb 0.16 0.05 0.05 0.00 0.21 0.00 0.00 66.02 66.50 1x5h s SER 34 CO 0.27 -0.30 0.25 -0.63 0.41 0.00 0.00 173.24 173.25 1x5h s ILE 35 N -2.26 -0.18 0.04 1.44 1.01 -0.81 -2.53 121.20 117.92 1x5h s ILE 35 Ca -0.01 0.20 -0.19 0.00 0.00 0.00 0.00 60.65 60.65 1x5h s ILE 35 Cb -0.04 -0.40 -0.06 0.00 0.01 0.00 0.00 42.46 41.97 1x5h s ILE 35 CO -0.01 0.08 0.55 -0.32 0.00 0.00 0.00 174.94 175.24 1x5h s MET 36 N 1.70 4.19 -0.22 2.79 -2.45 -1.03 -1.28 119.30 123.00 1x5h s MET 36 Ca -0.05 0.69 -0.01 0.00 -1.25 0.00 0.00 55.69 55.06 1x5h s MET 36 Cb -0.11 -3.26 0.02 0.00 1.25 0.00 0.00 34.83 32.72 1x5h s MET 36 CO -0.09 0.58 -0.10 0.42 1.05 0.00 0.00 175.02 176.89 1x5h s ILE 37 N -0.88 2.75 -0.19 10.11 1.01 0.99 -0.34 121.20 134.65 1x5h s ILE 37 Ca 0.29 -0.87 -0.02 0.00 0.00 0.00 0.00 60.65 60.05 1x5h s ILE 37 Cb -0.19 -2.30 -0.00 0.00 0.01 0.00 0.00 42.46 39.98 1x5h s ILE 37 CO 0.18 0.36 -0.10 -1.00 0.00 0.00 0.00 174.94 174.38 1x5h s HIS 38 N 1.35 2.89 0.16 3.97 3.76 -0.31 -2.08 115.29 125.03 1x5h s HIS 38 Ca 0.03 -1.04 -0.01 0.00 -0.15 0.00 0.00 55.06 53.89 1x5h s HIS 38 Cb -0.15 -2.01 -0.04 0.00 1.11 0.00 0.00 32.58 31.49 1x5h s HIS 38 CO -0.07 -0.54 0.09 1.67 -0.85 0.00 0.00 174.74 175.04 1x5h s TRP 39 N 1.21 0.98 0.15 1.40 -2.14 -1.17 -1.01 118.94 118.36 1x5h s TRP 39 Ca 0.02 -1.29 0.08 0.00 2.66 0.00 0.00 56.10 57.57 1x5h s TRP 39 Cb -0.14 -0.51 -0.04 0.00 -3.10 0.00 0.00 33.47 29.68 1x5h s TRP 39 CO -0.04 -0.57 -0.18 -0.65 -2.66 0.00 0.00 176.95 172.86 1x5h s GLN 40 N -4.09 1.21 0.42 3.25 -1.52 -1.10 -4.80 119.66 113.03 1x5h s GLN 40 Ca 0.30 -1.36 -0.25 0.00 -1.95 0.00 0.00 55.36 52.11 1x5h s GLN 40 Cb 0.07 -1.24 -0.08 0.00 -0.22 0.00 0.00 33.01 31.54 1x5h s GLN 40 CO 0.06 0.25 1.18 -1.25 -0.25 0.00 0.00 175.29 175.29 1x5h s PRO 41 N -2.71 3.97 1.01 2.91 0.04 -1.26 -2.79 135.00 136.16 1x5h s PRO 41 Ca 0.14 1.86 -0.12 0.00 0.04 0.00 0.00 61.00 62.91 1x5h s PRO 41 Cb -0.06 -2.62 0.19 0.00 0.04 0.00 0.00 34.50 32.06 1x5h s PRO 41 CO 0.06 -0.40 1.09 -1.25 0.04 0.00 0.00 177.00 176.54 1x5h s PRO 42 N -2.39 0.35 0.60 0.56 0.04 -1.26 -4.65 135.00 128.24 1x5h s PRO 42 Ca 0.59 0.49 -0.19 0.00 0.04 0.00 0.00 61.00 61.93 1x5h s PRO 42 Cb -0.31 -1.73 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 1x5h s PRO 42 CO 0.39 -2.78 1.01 0.00 0.04 0.00 0.00 177.00 175.65 1x5h n ALA 43 N -4.21 0.32 -0.05 8.56 0.00 -1.26 -4.86 120.51 119.01 1x5h n ALA 43 Ca 0.05 0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.38 1x5h n ALA 43 Cb 0.57 -2.14 -0.07 0.00 0.00 0.00 0.00 19.45 17.81 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 0.56 0.30 -0.98 0.00 0.13 -1.95 -2.42 132.00 127.64 1x5h h PRO 44 Ca -0.49 -0.16 0.26 0.00 -0.87 0.00 0.00 66.00 64.75 1x5h h PRO 44 Cb 1.36 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.43 1x5h h PRO 44 CO 0.51 0.70 0.67 0.00 -0.23 0.00 0.00 178.00 179.66 1x5h h ALA 45 N 0.59 2.58 0.10 -0.56 0.00 -2.04 -1.06 119.26 118.87 1x5h h ALA 45 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 1x5h h ALA 45 Cb 0.65 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.48 1x5h h ALA 45 CO 0.03 -0.89 -0.73 1.79 0.00 0.00 0.00 179.25 179.45 1x5h h THR 46 N 0.20 1.49 -0.72 0.00 1.35 -1.92 -3.47 112.91 109.85 1x5h h THR 46 Ca 0.50 -2.47 -0.54 0.00 -0.55 0.00 0.00 66.41 63.36 1x5h h THR 46 Cb 1.62 3.15 0.05 0.00 -1.73 0.00 0.00 68.15 71.24 1x5h h THR 46 CO -0.12 0.68 -0.10 0.00 -0.25 0.00 0.00 175.52 175.72 1x5h n GLN 47 N -4.22 0.00 -1.46 4.72 6.02 -0.40 -4.75 117.38 117.29 1x5h n GLN 47 Ca -0.15 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.63 1x5h n GLN 47 Cb 0.75 -0.96 0.09 0.00 1.02 0.00 0.00 30.24 31.15 1x5h n GLN 47 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1x5h n ASN 48 N 1.20 4.83 0.00 1.08 3.02 -1.26 -5.01 115.26 119.11 1x5h n ASN 48 Ca 0.14 -3.78 0.00 0.00 -0.03 0.00 0.00 54.58 50.91 1x5h n ASN 48 Cb 0.10 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 38.67 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 -0.90 0.95 3.72 7.41 0.00 -1.26 -4.83 105.19 110.28 1x5h n GLY 49 Ca 0.46 -1.88 -0.38 0.00 0.00 0.00 0.00 46.02 44.22 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 -2.00 4.32 -0.01 1.61 0.74 -1.26 -5.05 119.66 118.01 1x5h s GLN 50 Ca 0.00 0.38 -0.30 0.00 0.05 0.00 0.00 55.36 55.48 1x5h s GLN 50 Cb 0.00 -3.43 -0.04 0.00 1.10 0.00 0.00 33.01 30.64 1x5h s GLN 50 CO 0.00 0.18 1.10 0.42 -0.55 0.00 0.00 175.29 176.44 1x5h s ILE 51 N 0.57 4.46 -0.19 -2.34 1.01 -1.26 -4.14 121.20 119.32 1x5h s ILE 51 Ca 0.24 1.76 -0.07 0.00 0.00 0.00 0.00 60.65 62.58 1x5h s ILE 51 Cb -0.15 -4.13 -0.21 0.00 0.01 0.00 0.00 42.46 37.98 1x5h s ILE 51 CO 0.09 0.08 0.10 0.35 0.00 0.00 0.00 174.94 175.56 1x5h n THR 52 N 4.18 1.64 -3.83 2.92 -2.24 0.19 -4.73 114.28 112.40 1x5h n THR 52 Ca 0.08 -0.50 -0.04 0.00 -2.27 0.00 0.00 64.05 61.33 1x5h n THR 52 Cb 0.48 -1.71 0.01 0.00 -2.10 0.00 0.00 70.33 67.01 1x5h n THR 52 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1x5h s GLY 53 N -5.72 0.00 -0.05 3.38 0.00 -1.22 -0.92 107.32 102.79 1x5h s GLY 53 Ca -0.29 -0.19 0.05 0.00 0.00 0.00 0.00 44.72 44.29 1x5h s GLY 53 CO 0.66 1.35 -0.19 -0.19 0.00 0.00 0.00 173.10 174.73 1x5h s TYR 54 N -2.57 2.57 -0.71 1.90 1.51 -1.23 0.15 117.35 118.97 1x5h s TYR 54 Ca 0.18 -0.35 -0.11 0.00 -1.01 0.00 0.00 57.07 55.77 1x5h s TYR 54 Cb -0.02 -1.61 0.19 0.00 -0.11 0.00 0.00 41.96 40.41 1x5h s TYR 54 CO 0.05 0.04 0.62 0.21 -1.11 0.00 0.00 175.55 175.35 1x5h s LYS 55 N -0.53 3.20 -0.18 -0.62 2.20 0.13 -2.65 119.74 121.29 1x5h s LYS 55 Ca 0.07 -2.31 -0.20 0.00 -0.36 0.00 0.00 55.97 53.17 1x5h s LYS 55 Cb -0.11 -4.22 -0.03 0.00 -1.51 0.00 0.00 37.83 31.96 1x5h s LYS 55 CO 0.01 -1.26 0.60 0.42 -0.36 0.00 0.00 175.35 174.76 1x5h s ILE 56 N 0.42 5.05 0.03 5.43 1.01 -0.12 -2.63 121.20 130.38 1x5h s ILE 56 Ca 0.15 1.14 0.06 0.00 0.00 0.00 0.00 60.65 62.00 1x5h s ILE 56 Cb -0.16 -3.92 -0.02 0.00 0.01 0.00 0.00 42.46 38.36 1x5h s ILE 56 CO -0.05 0.15 -0.19 -0.13 0.00 0.00 0.00 174.94 174.72 1x5h s ARG 57 N 1.68 1.33 0.04 2.79 0.52 -0.26 -0.83 118.95 124.22 1x5h s ARG 57 Ca 0.28 -0.83 -0.02 0.00 -0.52 0.00 0.00 55.73 54.65 1x5h s ARG 57 Cb -0.16 -1.38 -0.03 0.00 0.52 0.00 0.00 34.95 33.90 1x5h s ARG 57 CO 0.11 0.36 -0.01 1.52 0.02 0.00 0.00 175.30 177.30 1x5h s TYR 58 N -0.70 0.40 0.30 -0.53 1.13 -1.14 -0.33 117.35 116.47 1x5h s TYR 58 Ca 0.06 -0.84 -0.06 0.00 -1.41 0.00 0.00 57.07 54.83 1x5h s TYR 58 Cb -0.08 -0.29 -0.00 0.00 -1.10 0.00 0.00 41.96 40.48 1x5h s TYR 58 CO 0.01 -0.33 0.45 -0.98 -2.51 0.00 0.00 175.55 172.19 1x5h s ARG 59 N -3.07 1.75 -0.13 -3.49 1.70 -0.49 -1.68 118.95 113.53 1x5h s ARG 59 Ca -0.01 -1.59 -0.12 0.00 -0.47 0.00 0.00 55.73 53.54 1x5h s ARG 59 Cb 0.02 0.44 -0.05 0.00 -0.57 0.00 0.00 34.95 34.79 1x5h s ARG 59 CO -0.07 -0.72 0.27 0.15 -1.08 0.00 0.00 175.30 173.85 1x5h s LYS 60 N -3.42 4.04 0.26 3.89 1.02 -1.13 -0.71 119.74 123.69 1x5h s LYS 60 Ca 0.28 0.07 -0.05 0.00 0.02 0.00 0.00 55.97 56.30 1x5h s LYS 60 Cb 0.00 -3.35 0.51 0.00 -0.52 0.00 0.00 37.83 34.48 1x5h s LYS 60 CO 0.16 0.42 1.61 0.00 -0.92 0.00 0.00 175.35 176.62 1x5h h ALA 61 N 6.03 0.86 0.25 5.17 0.00 -1.93 -1.80 119.26 127.84 1x5h h ALA 61 Ca -0.45 0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1x5h h ALA 61 Cb 1.18 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1x5h h ALA 61 CO 0.70 -0.45 -0.12 1.03 0.00 0.00 0.00 179.25 180.41 1x5h h SER 62 N 0.07 -0.29 -3.64 0.00 0.87 -1.94 -3.38 113.55 105.25 1x5h h SER 62 Ca 0.46 -0.23 -0.78 0.00 -1.23 0.00 0.00 61.79 60.01 1x5h h SER 62 Cb 0.84 0.07 -0.29 0.00 -0.44 0.00 0.00 62.40 62.59 1x5h h SER 62 CO -0.76 0.21 0.26 -0.60 -0.53 0.00 0.00 176.83 175.40 1x5h s ARG 63 N -3.58 3.87 0.01 2.24 6.06 -0.74 -4.85 118.95 121.96 1x5h s ARG 63 Ca -0.12 -2.99 -0.19 0.00 -2.50 0.00 0.00 55.73 49.94 1x5h s ARG 63 Cb 0.01 -4.42 -0.24 0.00 0.06 0.00 0.00 34.95 30.36 1x5h s ARG 63 CO 0.42 -1.25 1.10 0.87 -2.50 0.00 0.00 175.30 173.94 1x5h h LYS 64 N 6.92 0.46 -0.95 5.12 1.57 -1.57 -2.99 116.57 125.13 1x5h h LYS 64 Ca 0.15 -0.50 0.36 0.00 -1.87 0.00 0.00 60.65 58.78 1x5h h LYS 64 Cb 0.92 0.14 -0.17 0.00 0.08 0.00 0.00 32.23 33.20 1x5h h LYS 64 CO 0.91 1.15 0.36 0.45 -0.57 0.00 0.00 179.45 181.75 1x5h n SER 65 N -4.15 0.19 -4.59 0.86 2.88 -1.26 -3.81 113.62 103.75 1x5h n SER 65 Ca -0.11 1.59 -0.43 0.00 -1.33 0.00 0.00 58.87 58.59 1x5h n SER 65 Cb 0.72 -0.71 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1x5h n SER 65 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1x5h s ASP 66 N -4.69 6.59 0.08 -3.46 2.15 -1.24 -5.02 116.67 111.08 1x5h s ASP 66 Ca -0.10 0.34 0.08 0.00 0.43 0.00 0.00 52.55 53.30 1x5h s ASP 66 Cb 0.31 -2.49 -0.03 0.00 -0.30 0.00 0.00 42.92 40.41 1x5h s ASP 66 CO 0.74 -1.10 -0.21 -0.69 -0.17 0.00 0.00 175.17 173.75 1x5h s VAL 67 N 3.98 1.69 -0.08 1.11 1.01 -1.25 -4.21 120.40 122.65 1x5h s VAL 67 Ca 0.42 -1.40 -0.00 0.00 0.00 0.00 0.00 61.98 60.99 1x5h s VAL 67 Cb -0.09 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 1x5h s VAL 67 CO 0.27 0.04 -0.05 -0.89 0.00 0.00 0.00 175.10 174.47 1x5h s THR 68 N -1.02 3.86 -0.07 3.92 2.01 -0.68 -4.97 115.64 118.69 1x5h s THR 68 Ca 0.07 -0.41 -0.10 0.00 0.31 0.00 0.00 61.69 61.55 1x5h s THR 68 Cb -0.09 -2.60 -0.05 0.00 0.01 0.00 0.00 72.50 69.77 1x5h s THR 68 CO 0.03 0.59 0.26 -0.70 -0.69 0.00 0.00 174.62 174.11 1x5h s GLU 69 N -0.68 3.66 -0.08 4.92 -6.30 -1.26 -2.91 118.70 116.05 1x5h s GLU 69 Ca 0.10 0.11 -0.02 0.00 -2.50 0.00 0.00 54.97 52.67 1x5h s GLU 69 Cb -0.11 -3.21 0.03 0.00 0.00 0.00 0.00 34.13 30.84 1x5h s GLU 69 CO 0.02 0.73 0.03 0.99 0.02 0.00 0.00 175.26 177.05 1x5h s THR 70 N -1.03 0.19 -0.18 -1.70 2.01 -0.01 -5.01 115.64 109.91 1x5h s THR 70 Ca 0.19 0.13 -0.05 0.00 0.31 0.00 0.00 61.69 62.27 1x5h s THR 70 Cb -0.14 -0.46 -0.03 0.00 0.01 0.00 0.00 72.50 71.88 1x5h s THR 70 CO 0.08 0.14 0.01 -0.22 -0.69 0.00 0.00 174.62 173.95 1x5h s LEU 71 N 2.04 3.43 0.47 4.42 1.98 -1.26 -0.95 118.68 128.81 1x5h s LEU 71 Ca 0.04 -0.09 0.02 0.00 -2.89 0.00 0.00 54.13 51.21 1x5h s LEU 71 Cb -0.13 -1.86 -0.02 0.00 0.66 0.00 0.00 46.19 44.85 1x5h s LEU 71 CO -0.05 0.13 0.06 0.68 -1.89 0.00 0.00 176.35 175.27 1x5h s VAL 72 N 0.63 0.91 0.63 1.68 -7.23 -1.08 -5.01 120.40 110.92 1x5h s VAL 72 Ca 0.00 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.03 1x5h s VAL 72 Cb -0.14 -2.22 -0.02 0.00 0.56 0.00 0.00 36.38 34.56 1x5h s VAL 72 CO 0.02 0.00 1.06 -0.44 -0.31 0.00 0.00 175.10 175.43 1x5h s SER 73 N -3.77 5.65 0.04 4.85 0.01 -1.26 -3.50 113.70 115.72 1x5h s SER 73 Ca 0.13 1.74 -0.29 0.00 1.31 0.00 0.00 55.95 58.83 1x5h s SER 73 Cb 0.02 -2.52 -0.17 0.00 0.21 0.00 0.00 66.02 63.56 1x5h s SER 73 CO 0.08 -1.26 1.42 1.23 0.41 0.00 0.00 173.24 175.12 1x5h h GLY 74 N 0.02 -0.75 2.00 3.44 0.00 -1.31 -2.72 103.07 103.74 1x5h h GLY 74 Ca -0.46 0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1x5h h GLY 74 CO 0.57 -0.27 0.00 0.00 0.00 0.00 0.00 176.54 176.84 1x5h h THR 75 N -0.88 0.00 -3.12 4.70 1.03 -1.87 -3.42 112.91 109.36 1x5h h THR 75 Ca -0.07 -0.16 -0.57 0.00 -0.01 0.00 0.00 66.41 65.59 1x5h h THR 75 Cb 0.61 0.90 -0.05 0.00 -1.07 0.00 0.00 68.15 68.55 1x5h h THR 75 CO 0.12 0.00 1.07 -1.58 -0.01 0.00 0.00 175.52 175.13 1x5h s GLN 76 N -3.59 3.66 -0.38 0.00 0.74 -1.03 -4.87 119.66 114.19 1x5h s GLN 76 Ca -0.00 1.16 0.06 0.00 0.05 0.00 0.00 55.36 56.63 1x5h s GLN 76 Cb 0.09 -4.01 0.63 0.00 1.10 0.00 0.00 33.01 30.82 1x5h s GLN 76 CO 0.36 -1.45 1.76 1.28 -0.55 0.00 0.00 175.29 176.69 1x5h n LEU 77 N 8.63 5.84 -3.74 3.68 4.77 -1.26 -4.72 117.00 130.20 1x5h n LEU 77 Ca 0.17 -3.59 -0.13 0.00 -0.03 0.00 0.00 56.01 52.43 1x5h n LEU 77 Cb 0.47 -0.76 -0.08 0.00 -2.33 0.00 0.00 43.42 40.72 1x5h n LEU 77 CO 0.68 1.07 0.05 -0.94 -1.33 0.00 0.00 177.39 176.91 1x5h s SER 78 N -1.64 -0.19 -0.18 -1.43 1.04 -1.26 -3.06 113.70 106.98 1x5h s SER 78 Ca 0.53 -0.01 -0.11 0.00 0.48 0.00 0.00 55.95 56.84 1x5h s SER 78 Cb 0.45 0.34 0.06 0.00 0.10 0.00 0.00 66.02 66.97 1x5h s SER 78 CO 0.08 -0.53 0.46 -1.58 0.98 0.00 0.00 173.24 172.64 1x5h s GLN 79 N -1.87 0.46 -0.34 4.02 -0.44 -0.88 -4.96 119.66 115.64 1x5h s GLN 79 Ca -0.10 0.82 -0.06 0.00 -2.50 0.00 0.00 55.36 53.52 1x5h s GLN 79 Cb -0.03 0.05 0.04 0.00 -1.64 0.00 0.00 33.01 31.43 1x5h s GLN 79 CO 0.01 -0.14 0.11 -1.17 0.50 0.00 0.00 175.29 174.60 1x5h s LEU 80 N 1.23 4.33 -0.55 3.68 2.96 -1.26 -0.01 118.68 129.07 1x5h s LEU 80 Ca -0.08 -1.15 -0.20 0.00 -0.22 0.00 0.00 54.13 52.48 1x5h s LEU 80 Cb -0.07 -1.87 0.06 0.00 0.50 0.00 0.00 46.19 44.81 1x5h s LEU 80 CO -0.11 -0.33 0.74 -0.63 -1.32 0.00 0.00 176.35 174.70 1x5h s ILE 81 N 1.40 4.71 0.32 6.68 -1.09 -0.40 -4.91 121.20 127.90 1x5h s ILE 81 Ca -0.02 -0.40 0.03 0.00 -2.23 0.00 0.00 60.65 58.03 1x5h s ILE 81 Cb -0.20 -4.42 -0.03 0.00 -1.58 0.00 0.00 42.46 36.24 1x5h s ILE 81 CO 0.03 -0.99 0.49 -1.61 -1.23 0.00 0.00 174.94 171.62 1x5h s GLU 82 N 3.07 3.37 0.00 2.79 2.02 -1.26 -1.92 118.70 126.77 1x5h s GLU 82 Ca 0.18 -0.59 0.00 0.00 0.02 0.00 0.00 54.97 54.59 1x5h s GLU 82 Cb -0.18 -2.75 0.00 0.00 0.10 0.00 0.00 34.13 31.30 1x5h s GLU 82 CO 0.12 0.19 0.00 0.41 0.02 0.00 0.00 175.26 176.00 1x5h n GLY 83 N -1.67 0.92 3.80 -1.39 0.00 -0.25 -4.97 105.19 101.64 1x5h n GLY 83 Ca -0.05 -0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.30 2.78 0.27 0.99 1.43 0.14 -5.02 118.68 118.96 1x5h s LEU 84 Ca 0.00 -1.27 0.10 0.00 -1.03 0.00 0.00 54.13 51.93 1x5h s LEU 84 Cb 0.00 -1.19 -0.04 0.00 0.03 0.00 0.00 46.19 44.99 1x5h s LEU 84 CO 0.00 -0.82 -0.03 -1.81 0.23 0.00 0.00 176.35 173.93 1x5h s ASP 85 N -4.03 4.41 0.55 2.29 1.11 -1.25 -4.16 116.67 115.59 1x5h s ASP 85 Ca 0.30 -0.71 -0.08 0.00 0.18 0.00 0.00 52.55 52.25 1x5h s ASP 85 Cb 0.01 -0.76 -0.03 0.00 1.07 0.00 0.00 42.92 43.21 1x5h s ASP 85 CO 0.18 -0.01 0.90 0.00 1.18 0.00 0.00 175.17 177.41 1x5h s ARG 86 N -3.66 3.51 -1.38 8.23 1.70 -1.25 -4.24 118.95 121.86 1x5h s ARG 86 Ca 0.31 0.41 -0.03 0.00 -0.47 0.00 0.00 55.73 55.95 1x5h s ARG 86 Cb -0.06 -2.25 0.00 0.00 -0.57 0.00 0.00 34.95 32.08 1x5h s ARG 86 CO 0.19 -0.40 0.43 0.41 -1.08 0.00 0.00 175.30 174.85 1x5h n GLY 87 N -2.49 -0.31 3.25 3.88 0.00 -1.26 -4.94 105.19 103.32 1x5h n GLY 87 Ca 0.03 0.19 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.93 -0.00 0.18 2.61 2.01 -1.26 -5.00 115.64 110.24 1x5h s THR 88 Ca 0.07 0.01 -0.22 0.00 0.31 0.00 0.00 61.69 61.86 1x5h s THR 88 Cb -0.03 -0.51 -0.08 0.00 0.01 0.00 0.00 72.50 71.90 1x5h s THR 88 CO 0.90 0.00 0.72 -0.70 -0.69 0.00 0.00 174.62 174.85 1x5h s GLU 89 N 0.29 4.35 -0.04 4.92 2.12 -1.26 -2.93 118.70 126.14 1x5h s GLU 89 Ca -0.01 0.95 -0.03 0.00 0.36 0.00 0.00 54.97 56.24 1x5h s GLU 89 Cb -0.03 -3.05 0.02 0.00 0.26 0.00 0.00 34.13 31.32 1x5h s GLU 89 CO -0.01 0.49 0.11 0.71 -0.54 0.00 0.00 175.26 176.02 1x5h s TYR 90 N -1.34 -0.12 0.11 5.30 2.02 -0.66 -3.64 117.35 119.01 1x5h s TYR 90 Ca 0.39 0.32 -0.05 0.00 -0.37 0.00 0.00 57.07 57.36 1x5h s TYR 90 Cb -0.19 0.00 -0.05 0.00 -0.40 0.00 0.00 41.96 41.31 1x5h s TYR 90 CO 0.22 -0.08 0.35 -0.80 -1.57 0.00 0.00 175.55 173.67 1x5h s ASN 91 N 0.35 6.49 0.04 2.29 0.02 0.11 -1.50 114.94 122.74 1x5h s ASN 91 Ca -0.02 0.58 -0.03 0.00 -1.02 0.00 0.00 52.86 52.36 1x5h s ASN 91 Cb -0.04 -2.09 -0.02 0.00 0.02 0.00 0.00 41.25 39.13 1x5h s ASN 91 CO -0.01 0.10 0.04 -0.36 0.02 0.00 0.00 177.10 176.89 1x5h s PHE 92 N -1.57 0.28 -0.18 2.20 0.40 -1.10 -1.39 117.98 116.62 1x5h s PHE 92 Ca 0.38 -0.62 -0.15 0.00 -0.60 0.00 0.00 56.93 55.94 1x5h s PHE 92 Cb -0.13 -0.20 0.05 0.00 0.51 0.00 0.00 43.02 43.25 1x5h s PHE 92 CO 0.23 -0.33 0.46 -0.98 0.70 0.00 0.00 175.22 175.30 1x5h s ARG 93 N -2.60 0.51 -0.09 0.44 1.70 0.55 -2.85 118.95 116.61 1x5h s ARG 93 Ca -0.05 0.69 0.00 0.00 -0.47 0.00 0.00 55.73 55.90 1x5h s ARG 93 Cb -0.01 0.20 -0.03 0.00 -0.57 0.00 0.00 34.95 34.54 1x5h s ARG 93 CO -0.05 -0.09 -0.08 0.08 -1.08 0.00 0.00 175.30 174.08 1x5h s VAL 94 N 0.54 3.55 0.04 4.99 1.01 -1.26 -1.11 120.40 128.16 1x5h s VAL 94 Ca -0.02 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.46 1x5h s VAL 94 Cb -0.04 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 1x5h s VAL 94 CO -0.03 0.57 -0.08 0.00 0.00 0.00 0.00 175.10 175.56 1x5h s ALA 95 N -0.42 0.60 0.09 5.51 0.00 -1.08 0.14 121.76 126.61 1x5h s ALA 95 Ca 0.06 -0.79 -0.04 0.00 0.00 0.00 0.00 51.96 51.19 1x5h s ALA 95 Cb -0.12 0.04 -0.05 0.00 0.00 0.00 0.00 23.12 22.99 1x5h s ALA 95 CO 0.02 -0.02 0.31 0.00 0.00 0.00 0.00 175.76 176.07 1x5h s ALA 96 N -1.43 3.86 -0.04 0.00 0.00 -1.08 0.22 121.76 123.31 1x5h s ALA 96 Ca -0.09 -0.64 0.05 0.00 0.00 0.00 0.00 51.96 51.28 1x5h s ALA 96 Cb -0.10 -2.03 -0.01 0.00 0.00 0.00 0.00 23.12 20.98 1x5h s ALA 96 CO 0.00 0.71 -0.20 -0.51 0.00 0.00 0.00 175.76 175.77 1x5h s LEU 97 N -2.45 1.99 0.24 0.00 1.43 0.12 -0.85 118.68 119.16 1x5h s LEU 97 Ca 0.37 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 1x5h s LEU 97 Cb -0.13 -1.08 -0.05 0.00 0.03 0.00 0.00 46.19 44.97 1x5h s LEU 97 CO 0.24 0.21 0.11 0.42 0.23 0.00 0.00 176.35 177.56 1x5h s THR 98 N -0.19 0.33 0.45 5.49 -4.23 -0.94 -0.64 115.64 115.91 1x5h s THR 98 Ca 0.01 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 58.71 1x5h s THR 98 Cb -0.11 -2.58 0.38 0.00 1.34 0.00 0.00 72.50 71.53 1x5h s THR 98 CO 0.01 0.00 1.91 -0.29 -0.54 0.00 0.00 174.62 175.72 1x5h h ILE 99 N 2.47 0.73 0.00 2.99 2.10 -1.94 0.44 117.51 124.30 1x5h h ILE 99 Ca -0.37 -0.11 -0.00 0.00 1.08 0.00 0.00 64.86 65.46 1x5h h ILE 99 Cb 1.25 0.40 -0.00 0.00 -1.09 0.00 0.00 36.82 37.38 1x5h h ILE 99 CO 0.58 0.06 -0.01 0.78 -1.08 0.00 0.00 178.15 178.47 1x5h h ASN 100 N 0.31 0.00 -3.36 2.19 2.35 -1.92 -3.48 115.58 111.66 1x5h h ASN 100 Ca 0.38 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.13 1x5h h ASN 100 Cb 1.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.41 1x5h h ASN 100 CO -0.10 0.01 0.00 0.61 -1.65 0.00 0.00 177.43 176.30 1x5h n GLY 101 N -0.47 0.61 3.36 2.83 0.00 0.15 -4.51 105.19 107.16 1x5h n GLY 101 Ca -0.01 -2.13 -0.34 0.00 0.00 0.00 0.00 46.02 43.55 1x5h n GLY 101 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1x5h n THR 102 N 3.97 0.16 -4.27 2.61 -2.24 -1.26 -2.22 114.28 111.02 1x5h n THR 102 Ca 0.00 -0.25 -0.13 0.00 -2.27 0.00 0.00 64.05 61.40 1x5h n THR 102 Cb 0.00 -0.54 -0.03 0.00 -2.10 0.00 0.00 70.33 67.65 1x5h n THR 102 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x5h n GLY 103 N 1.79 3.78 3.77 3.38 0.00 -0.03 -4.40 105.19 113.48 1x5h n GLY 103 Ca 0.06 -2.11 -0.33 0.00 0.00 0.00 0.00 46.02 43.64 1x5h n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5h s PRO 104 N -2.76 2.70 0.18 1.61 0.04 -1.26 -4.61 135.00 130.90 1x5h s PRO 104 Ca 0.06 1.35 0.10 0.00 0.04 0.00 0.00 61.00 62.56 1x5h s PRO 104 Cb 0.00 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 1x5h s PRO 104 CO 0.04 -1.32 -0.22 0.00 0.04 0.00 0.00 177.00 175.54 1x5h s ALA 105 N -2.43 2.32 0.85 8.56 0.00 -1.26 -2.62 121.76 127.19 1x5h s ALA 105 Ca 0.66 -1.56 -0.12 0.00 0.00 0.00 0.00 51.96 50.94 1x5h s ALA 105 Cb -0.20 -0.28 0.10 0.00 0.00 0.00 0.00 23.12 22.74 1x5h s ALA 105 CO 0.44 0.37 1.14 0.95 0.00 0.00 0.00 175.76 178.66 1x5h s THR 106 N -1.73 2.29 1.19 0.00 -4.23 0.12 -4.93 115.64 108.36 1x5h s THR 106 Ca 0.18 0.09 -0.14 0.00 -1.18 0.00 0.00 61.69 60.64 1x5h s THR 106 Cb -0.07 -2.91 0.29 0.00 1.34 0.00 0.00 72.50 71.15 1x5h s THR 106 CO 0.08 -0.12 1.02 -0.62 -0.54 0.00 0.00 174.62 174.44 1x5h s ASP 107 N -4.15 0.76 -0.85 3.99 2.15 -1.26 -4.56 116.67 112.75 1x5h s ASP 107 Ca 0.62 1.37 -0.21 0.00 0.43 0.00 0.00 52.55 54.76 1x5h s ASP 107 Cb -0.14 -2.11 0.10 0.00 -0.30 0.00 0.00 42.92 40.47 1x5h s ASP 107 CO 0.52 -4.31 1.12 0.26 -0.17 0.00 0.00 175.17 172.59 1x5h s TRP 108 N -2.49 2.87 -0.31 -5.34 0.52 -1.26 -4.54 118.94 108.38 1x5h s TRP 108 Ca 0.68 -1.00 -0.24 0.00 0.02 0.00 0.00 56.10 55.56 1x5h s TRP 108 Cb -0.23 -4.35 0.00 0.00 -1.15 0.00 0.00 33.47 27.74 1x5h s TRP 108 CO 0.64 -1.62 0.81 -1.17 0.02 0.00 0.00 176.95 175.63 1x5h s LEU 109 N 3.54 4.08 -0.02 2.99 2.96 -1.13 -4.87 118.68 126.23 1x5h s LEU 109 Ca 0.31 0.66 -0.24 0.00 -0.22 0.00 0.00 54.13 54.64 1x5h s LEU 109 Cb -0.08 -3.11 -0.04 0.00 0.50 0.00 0.00 46.19 43.45 1x5h s LEU 109 CO -0.02 -0.65 0.73 -0.94 -1.32 0.00 0.00 176.35 174.15 1x5h s SER 110 N 1.65 7.08 -0.05 3.68 1.04 -1.26 -2.73 113.70 123.11 1x5h s SER 110 Ca 0.33 1.30 0.01 0.00 0.48 0.00 0.00 55.95 58.08 1x5h s SER 110 Cb -0.14 -2.44 0.02 0.00 0.10 0.00 0.00 66.02 63.56 1x5h s SER 110 CO 0.13 -0.07 -0.07 0.00 0.98 0.00 0.00 173.24 174.21 1x5h s ALA 111 N 0.48 0.88 -0.31 5.32 0.00 -0.56 -4.96 121.76 122.61 1x5h s ALA 111 Ca 0.38 -0.18 -0.11 0.00 0.00 0.00 0.00 51.96 52.05 1x5h s ALA 111 Cb -0.19 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.41 1x5h s ALA 111 CO 0.20 -0.01 0.18 -2.00 0.00 0.00 0.00 175.76 174.13 1x5h s GLU 112 N 0.91 3.57 1.20 0.00 2.12 -1.26 -1.66 118.70 123.59 1x5h s GLU 112 Ca -0.11 -0.57 -0.14 0.00 0.36 0.00 0.00 54.97 54.51 1x5h s GLU 112 Cb -0.15 -3.65 0.29 0.00 0.26 0.00 0.00 34.13 30.89 1x5h s GLU 112 CO 0.01 -0.35 0.92 0.25 -0.54 0.00 0.00 175.26 175.55 1x5h n THR 113 N 5.04 0.00 -2.53 -1.70 -2.24 -1.15 -4.90 114.28 106.79 1x5h n THR 113 Ca -0.14 -0.48 -0.43 0.00 -2.27 0.00 0.00 64.05 60.73 1x5h n THR 113 Cb 0.50 -0.97 -0.02 0.00 -2.10 0.00 0.00 70.33 67.75 1x5h n THR 113 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1x5h s PHE 114 N -2.37 2.93 0.28 4.78 0.08 -1.26 -4.18 117.98 118.24 1x5h s PHE 114 Ca 0.68 1.03 0.18 0.00 0.12 0.00 0.00 56.93 58.94 1x5h s PHE 114 Cb -0.25 -3.79 1.00 0.00 -0.57 0.00 0.00 43.02 39.42 1x5h s PHE 114 CO 0.66 -1.24 1.12 -1.91 -0.10 0.00 0.00 175.22 173.75 1x5h n GLU 115 N 7.06 -0.04 -4.19 0.44 2.13 -1.26 -4.06 120.64 120.72 1x5h n GLU 115 Ca 0.13 0.95 -0.11 0.00 0.66 0.00 0.00 57.16 58.78 1x5h n GLU 115 Cb 0.47 -1.76 -0.10 0.00 0.27 0.00 0.00 31.44 30.32 1x5h n GLU 115 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1x5h s SER 116 N -4.54 1.31 -0.66 4.31 0.15 -1.26 -4.23 113.70 108.78 1x5h s SER 116 Ca -0.06 -1.01 -0.26 0.00 0.70 0.00 0.00 55.95 55.32 1x5h s SER 116 Cb 0.23 0.07 -0.04 0.00 -1.71 0.00 0.00 66.02 64.58 1x5h s SER 116 CO 0.57 -0.43 1.96 1.51 1.20 0.00 0.00 173.24 178.05 1x5h s ASP 117 N -3.07 5.10 -0.17 5.45 1.47 -1.26 -4.85 116.67 119.34 1x5h s ASP 117 Ca 0.13 0.24 -0.04 0.00 1.18 0.00 0.00 52.55 54.05 1x5h s ASP 117 Cb 0.05 -2.53 0.07 0.00 -0.34 0.00 0.00 42.92 40.16 1x5h s ASP 117 CO -0.03 -2.56 0.15 -0.22 0.68 0.00 0.00 175.17 173.19 1x5h s LEU 118 N 9.83 0.09 -0.69 2.11 1.98 -1.26 -5.10 118.68 125.64 1x5h s LEU 118 Ca 0.72 -0.29 -0.27 0.00 -2.89 0.00 0.00 54.13 51.40 1x5h s LEU 118 Cb -0.12 0.10 0.01 0.00 0.66 0.00 0.00 46.19 46.84 1x5h s LEU 118 CO 0.17 -0.32 1.52 -0.62 -1.89 0.00 0.00 176.35 175.20 1x5h s ASP 119 N 2.24 5.80 0.44 3.68 -1.08 -1.26 -4.98 116.67 121.51 1x5h s ASP 119 Ca 0.04 -0.13 -0.25 0.00 -0.52 0.00 0.00 52.55 51.69 1x5h s ASP 119 Cb -0.15 -2.55 -0.08 0.00 -1.46 0.00 0.00 42.92 38.68 1x5h s ASP 119 CO -0.10 -2.06 1.29 -0.70 0.52 0.00 0.00 175.17 174.13 1x5h s GLU 120 N 6.27 3.77 0.10 4.34 2.12 -1.26 -5.02 118.70 129.03 1x5h s GLU 120 Ca 0.48 2.11 -0.02 0.00 0.36 0.00 0.00 54.97 57.91 1x5h s GLU 120 Cb -0.10 -2.60 -0.05 0.00 0.26 0.00 0.00 34.13 31.64 1x5h s GLU 120 CO 0.17 -0.64 0.29 0.95 -0.54 0.00 0.00 175.26 175.49 1x5h s THR 121 N -1.32 5.29 0.31 -1.70 -4.23 -1.26 -5.11 115.64 107.62 1x5h s THR 121 Ca 0.61 -0.24 0.04 0.00 -1.18 0.00 0.00 61.69 60.92 1x5h s THR 121 Cb -0.37 -3.64 -0.03 0.00 1.34 0.00 0.00 72.50 69.80 1x5h s THR 121 CO 0.46 0.07 0.20 -0.13 -0.54 0.00 0.00 174.62 174.68 1x5h s ARG 122 N -2.65 1.65 -0.26 3.99 0.52 -1.26 -5.17 118.95 115.77 1x5h s ARG 122 Ca 0.37 -1.95 -0.13 0.00 -0.52 0.00 0.00 55.73 53.50 1x5h s ARG 122 Cb -0.12 0.05 0.09 0.00 0.52 0.00 0.00 34.95 35.49 1x5h s ARG 122 CO 0.27 -0.53 0.62 0.54 0.02 0.00 0.00 175.30 176.22 1x5h s VAL 123 N -3.56 -0.32 1.10 3.52 0.11 -1.26 -5.17 120.40 114.81 1x5h s VAL 123 Ca 0.37 0.03 -0.16 0.00 -2.93 0.00 0.00 61.98 59.28 1x5h s VAL 123 Cb 0.04 -0.92 0.24 0.00 -1.53 0.00 0.00 36.38 34.20 1x5h s VAL 123 CO 0.20 0.01 1.10 -2.16 -3.33 0.00 0.00 175.10 170.93 1x5h s PRO 124 N 2.02 -0.40 -0.35 1.54 0.04 -1.26 -5.01 135.00 131.59 1x5h s PRO 124 Ca -0.08 0.23 0.10 0.00 0.04 0.00 0.00 61.00 61.28 1x5h s PRO 124 Cb -0.08 -1.67 0.45 0.00 0.04 0.00 0.00 34.50 33.25 1x5h s PRO 124 CO -0.18 -3.23 1.12 0.39 0.04 0.00 0.00 177.00 175.14 1x5h n GLU 125 N -4.47 2.99 -3.48 4.56 1.02 -1.26 -4.96 120.64 115.04 1x5h n GLU 125 Ca 0.09 -4.09 -0.22 0.00 -0.02 0.00 0.00 57.16 52.92 1x5h n GLU 125 Cb 0.58 -2.05 -0.05 0.00 -0.02 0.00 0.00 31.44 29.90 1x5h n GLU 125 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1x5h n VAL 126 N -0.53 -0.33 -0.32 2.62 3.14 -1.26 -4.69 118.33 116.96 1x5h n VAL 126 Ca 0.33 -0.16 0.20 0.00 -2.96 0.00 0.00 64.34 61.74 1x5h n VAL 126 Cb 0.81 -0.46 0.39 0.00 -1.06 0.00 0.00 33.84 33.52 1x5h n VAL 126 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 1x5h h SER 127 N -0.61 -0.03 -3.73 6.55 0.02 -2.03 -3.47 113.55 110.26 1x5h h SER 127 Ca -0.38 0.24 0.18 0.00 -0.84 0.00 0.00 61.79 60.99 1x5h h SER 127 Cb 0.84 0.33 -0.07 0.00 0.14 0.00 0.00 62.40 63.65 1x5h h SER 127 CO 0.48 -0.30 -0.40 0.61 -1.14 0.00 0.00 176.83 176.08 1x5h n GLY 128 N -1.38 -2.17 3.58 -3.77 0.00 -1.26 -4.94 105.19 95.25 1x5h n GLY 128 Ca 0.27 -1.32 -0.30 0.00 0.00 0.00 0.00 46.02 44.67 1x5h n GLY 128 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5h s PRO 129 N -2.44 -1.41 0.07 1.61 0.04 -1.26 -5.05 135.00 126.55 1x5h s PRO 129 Ca 0.00 -0.13 0.00 0.00 0.04 0.00 0.00 61.00 60.91 1x5h s PRO 129 Cb 0.00 -1.58 0.00 0.00 0.04 0.00 0.00 34.50 32.96 1x5h s PRO 129 CO 0.00 -3.82 0.00 -1.13 0.04 0.00 0.00 177.00 172.09 1x5h n SER 130 N -4.83 0.51 -3.59 6.66 3.41 -1.26 -5.13 113.62 109.39 1x5h n SER 130 Ca 0.14 0.10 -0.10 0.00 -0.26 0.00 0.00 58.87 58.75 1x5h n SER 130 Cb 0.60 -0.13 -0.06 0.00 -0.26 0.00 0.00 64.21 64.36 1x5h n SER 130 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x5h s SER 131 N -5.47 -0.37 0.00 4.04 0.01 -1.26 -5.35 113.70 105.30 1x5h s SER 131 Ca 0.00 0.48 0.00 0.00 1.31 0.00 0.00 55.95 57.74 1x5h s SER 131 Cb 0.00 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.64 1x5h s SER 131 CO 0.00 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 173.97