#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5k s SER 2 N 0.00 6.83 -0.17 1.61 0.01 -1.26 -4.97 113.70 115.75 1x5k s SER 2 Ca 0.00 -2.71 -0.29 0.00 1.31 0.00 0.00 55.95 54.26 1x5k s SER 2 Cb 0.00 -2.25 0.10 0.00 0.21 0.00 0.00 66.02 64.08 1x5k s SER 2 CO 0.00 -0.63 0.85 -0.55 0.41 0.00 0.00 173.24 173.32 1x5k s SER 3 N 2.34 -0.55 0.00 2.44 0.15 -1.26 -5.09 113.70 111.73 1x5k s SER 3 Ca 0.23 0.79 0.00 0.00 0.70 0.00 0.00 55.95 57.67 1x5k s SER 3 Cb -0.09 0.70 0.00 0.00 -1.71 0.00 0.00 66.02 64.93 1x5k s SER 3 CO -0.09 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.59 1x5k n GLY 4 N 1.43 0.58 3.71 9.45 0.00 -1.26 -5.16 105.19 113.94 1x5k n GLY 4 Ca -0.14 -0.66 0.01 0.00 0.00 0.00 0.00 46.02 45.23 1x5k n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5k s SER 5 N 0.00 -0.06 -0.35 1.61 1.04 -1.26 -5.07 113.70 109.61 1x5k s SER 5 Ca 0.00 -0.23 0.13 0.00 0.48 0.00 0.00 55.95 56.33 1x5k s SER 5 Cb 0.00 0.24 0.45 0.00 0.10 0.00 0.00 66.02 66.81 1x5k s SER 5 CO 0.00 -0.45 1.05 -1.54 0.98 0.00 0.00 173.24 173.28 1x5k n SER 6 N -0.62 2.96 0.00 7.02 3.41 -1.26 -5.11 113.62 120.02 1x5k n SER 6 Ca -0.06 -3.08 0.00 0.00 -0.26 0.00 0.00 58.87 55.47 1x5k n SER 6 Cb 0.62 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 1x5k n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5k n GLY 7 N -0.35 1.56 2.70 5.00 0.00 -1.26 -3.65 105.19 109.20 1x5k n GLY 7 Ca 0.23 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 45.19 1x5k n GLY 7 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1x5k n THR 8 N 0.00 5.45 -3.67 2.61 -2.24 -1.26 -4.91 114.28 110.26 1x5k n THR 8 Ca 0.00 -5.68 -0.08 0.00 -2.27 0.00 0.00 64.05 56.02 1x5k n THR 8 Cb 0.00 -1.49 -0.09 0.00 -2.10 0.00 0.00 70.33 66.66 1x5k n THR 8 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x5k s ALA 9 N -4.22 -1.34 0.04 6.98 0.00 -1.24 -5.07 121.76 116.91 1x5k s ALA 9 Ca 0.42 1.75 -0.03 0.00 0.00 0.00 0.00 51.96 54.10 1x5k s ALA 9 Cb 0.24 -1.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.09 1x5k s ALA 9 CO -0.18 -0.56 -0.06 0.72 0.00 0.00 0.00 175.76 175.68 1x5k n HIS 10 N 4.86 0.00 0.00 0.00 -0.00 -1.26 -4.69 115.22 114.12 1x5k n HIS 10 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.56 1x5k n HIS 10 Cb 0.53 -0.09 0.00 0.00 -0.00 0.00 0.00 29.99 30.43 1x5k n HIS 10 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1x5k n GLY 11 N 3.07 0.78 3.13 -1.41 0.00 -1.26 -5.10 105.19 104.40 1x5k n GLY 11 Ca -0.03 -0.72 -0.34 0.00 0.00 0.00 0.00 46.02 44.93 1x5k n GLY 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x5k s THR 12 N -1.47 2.84 -0.45 2.61 -4.23 -1.26 -4.93 115.64 108.74 1x5k s THR 12 Ca 0.00 -1.67 0.15 0.00 -1.18 0.00 0.00 61.69 58.99 1x5k s THR 12 Cb 0.00 -2.76 0.48 0.00 1.34 0.00 0.00 72.50 71.57 1x5k s THR 12 CO 0.00 -0.27 1.39 0.35 -0.54 0.00 0.00 174.62 175.55 1x5k n THR 13 N 4.54 1.90 -3.56 3.99 -2.24 -1.26 -4.99 114.28 112.66 1x5k n THR 13 Ca -0.09 -1.56 -0.14 0.00 -2.27 0.00 0.00 64.05 59.98 1x5k n THR 13 Cb 0.43 -0.01 -0.05 0.00 -2.10 0.00 0.00 70.33 68.59 1x5k n THR 13 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1x5k s PHE 14 N -2.23 -0.47 0.50 4.78 -0.12 -1.26 -5.18 117.98 114.01 1x5k s PHE 14 Ca 0.37 0.57 0.06 0.00 -0.05 0.00 0.00 56.93 57.89 1x5k s PHE 14 Cb 0.28 0.36 0.02 0.00 -0.63 0.00 0.00 43.02 43.05 1x5k s PHE 14 CO 0.12 -0.64 0.41 -2.00 -0.05 0.00 0.00 175.22 173.05 1x5k s GLU 15 N -2.27 2.32 -0.20 1.99 2.12 -1.26 -5.08 118.70 116.32 1x5k s GLU 15 Ca -0.06 -1.86 -0.04 0.00 0.36 0.00 0.00 54.97 53.37 1x5k s GLU 15 Cb -0.01 -2.19 0.09 0.00 0.26 0.00 0.00 34.13 32.28 1x5k s GLU 15 CO -0.00 -0.49 0.20 -0.51 -0.54 0.00 0.00 175.26 173.92 1x5k s LEU 16 N -4.24 -0.02 0.66 2.70 1.43 -0.92 -5.07 118.68 113.22 1x5k s LEU 16 Ca 0.40 -0.33 -0.17 0.00 -1.03 0.00 0.00 54.13 53.00 1x5k s LEU 16 Cb -0.02 0.26 -0.10 0.00 0.03 0.00 0.00 46.19 46.35 1x5k s LEU 16 CO 0.24 -0.33 0.08 1.33 0.23 0.00 0.00 176.35 177.90 1x5k n VAL 17 N 5.31 0.90 -2.04 -1.59 0.24 -1.26 -4.34 118.33 115.55 1x5k n VAL 17 Ca -0.06 -0.47 -0.37 0.00 -2.04 0.00 0.00 64.34 61.41 1x5k n VAL 17 Cb 0.49 -0.34 -0.03 0.00 -1.47 0.00 0.00 33.84 32.49 1x5k n VAL 17 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1x5k s PRO 18 N -1.87 2.61 -0.04 7.34 0.04 -1.26 -4.82 135.00 137.00 1x5k s PRO 18 Ca 0.59 0.48 0.02 0.00 0.04 0.00 0.00 61.00 62.13 1x5k s PRO 18 Cb -0.40 -4.49 0.13 0.00 0.04 0.00 0.00 34.50 29.79 1x5k s PRO 18 CO 0.64 -2.83 0.72 -2.37 0.04 0.00 0.00 177.00 173.20 1x5k n THR 19 N 7.31 0.43 -4.27 1.26 5.66 -1.26 -4.04 114.28 119.37 1x5k n THR 19 Ca 0.23 -0.22 -0.17 0.00 -3.05 0.00 0.00 64.05 60.83 1x5k n THR 19 Cb 0.51 -0.44 -0.13 0.00 -1.55 0.00 0.00 70.33 68.72 1x5k n THR 19 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1x5k s SER 20 N -0.16 1.15 0.80 1.09 0.15 -1.26 -4.87 113.70 110.60 1x5k s SER 20 Ca 0.09 -0.33 -0.11 0.00 0.70 0.00 0.00 55.95 56.30 1x5k s SER 20 Cb 0.07 -0.07 0.07 0.00 -1.71 0.00 0.00 66.02 64.38 1x5k s SER 20 CO 0.03 0.01 1.09 -2.16 1.20 0.00 0.00 173.24 173.41 1x5k s PRO 21 N -0.79 2.01 0.69 5.44 0.04 -1.26 -4.78 135.00 136.36 1x5k s PRO 21 Ca -0.00 1.09 -0.12 0.00 0.04 0.00 0.00 61.00 62.01 1x5k s PRO 21 Cb -0.06 -1.87 0.17 0.00 0.04 0.00 0.00 34.50 32.78 1x5k s PRO 21 CO 0.00 -1.79 0.61 -0.35 0.04 0.00 0.00 177.00 175.52 1x5k n PRO 22 N -3.61 -2.22 -4.23 0.56 -0.04 -1.26 -4.58 135.00 119.61 1x5k n PRO 22 Ca 0.09 -0.98 -0.16 0.00 -0.04 0.00 0.00 63.50 62.41 1x5k n PRO 22 Cb 0.53 -0.92 -0.09 0.00 -0.04 0.00 0.00 33.50 32.99 1x5k n PRO 22 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1x5k s LYS 23 N -4.39 1.53 -1.30 0.54 1.02 -0.97 -4.87 119.74 111.30 1x5k s LYS 23 Ca 0.40 -1.82 -0.12 0.00 0.02 0.00 0.00 55.97 54.45 1x5k s LYS 23 Cb -0.04 0.31 0.10 0.00 -0.52 0.00 0.00 37.83 37.68 1x5k s LYS 23 CO 0.31 -0.55 0.51 -0.25 -0.92 0.00 0.00 175.35 174.44 1x5k n ASP 24 N -0.98 -3.22 -4.58 2.83 8.00 -1.26 -1.22 116.55 116.13 1x5k n ASP 24 Ca 0.05 -0.50 -0.41 0.00 0.71 0.00 0.00 54.79 54.64 1x5k n ASP 24 Cb 0.64 -2.68 -0.03 0.00 -0.02 0.00 0.00 41.12 39.03 1x5k n ASP 24 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1x5k s VAL 25 N -2.94 3.57 0.13 2.53 1.01 -1.26 -3.81 120.40 119.64 1x5k s VAL 25 Ca 0.47 0.50 0.08 0.00 0.00 0.00 0.00 61.98 63.03 1x5k s VAL 25 Cb -0.25 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1x5k s VAL 25 CO 0.57 -0.81 -0.19 0.42 0.00 0.00 0.00 175.10 175.09 1x5k s THR 26 N 7.16 1.72 -0.19 3.92 -4.23 0.01 -5.00 115.64 119.02 1x5k s THR 26 Ca 0.66 -1.74 -0.02 0.00 -1.18 0.00 0.00 61.69 59.42 1x5k s THR 26 Cb -0.15 -1.68 0.06 0.00 1.34 0.00 0.00 72.50 72.06 1x5k s THR 26 CO 0.27 -0.22 0.00 -0.69 -0.54 0.00 0.00 174.62 173.44 1x5k s VAL 27 N -1.69 0.84 0.46 2.29 1.01 -1.26 -0.46 120.40 121.59 1x5k s VAL 27 Ca 0.11 -0.70 0.06 0.00 0.00 0.00 0.00 61.98 61.46 1x5k s VAL 27 Cb -0.07 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.06 1x5k s VAL 27 CO 0.05 -0.11 0.24 0.68 0.00 0.00 0.00 175.10 175.96 1x5k s VAL 28 N 1.72 2.02 0.37 2.92 -7.23 -0.22 -4.98 120.40 115.01 1x5k s VAL 28 Ca -0.02 -1.65 0.07 0.00 -1.81 0.00 0.00 61.98 58.58 1x5k s VAL 28 Cb -0.17 -2.67 -0.02 0.00 0.56 0.00 0.00 36.38 34.08 1x5k s VAL 28 CO -0.07 0.00 0.37 -0.55 -0.31 0.00 0.00 175.10 174.54 1x5k s SER 29 N -4.02 5.34 0.30 4.85 0.15 -1.26 -0.07 113.70 118.98 1x5k s SER 29 Ca 0.36 -0.53 -0.16 0.00 0.70 0.00 0.00 55.95 56.32 1x5k s SER 29 Cb 0.01 -0.84 -0.09 0.00 -1.71 0.00 0.00 66.02 63.40 1x5k s SER 29 CO 0.20 -0.51 0.73 -0.75 1.20 0.00 0.00 173.24 174.11 1x5k s LYS 30 N -4.10 4.04 -0.70 5.44 2.47 -0.48 -4.56 119.74 121.84 1x5k s LYS 30 Ca 0.45 0.69 -0.27 0.00 -1.56 0.00 0.00 55.97 55.28 1x5k s LYS 30 Cb -0.06 -2.52 0.02 0.00 -1.46 0.00 0.00 37.83 33.82 1x5k s LYS 30 CO 0.28 0.20 1.34 -2.00 0.16 0.00 0.00 175.35 175.34 1x5k s GLU 31 N -2.80 3.17 0.00 4.03 2.12 -1.26 -3.60 118.70 120.36 1x5k s GLU 31 Ca 0.52 -0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.79 1x5k s GLU 31 Cb -0.11 -4.18 0.00 0.00 0.26 0.00 0.00 34.13 30.09 1x5k s GLU 31 CO 0.18 -2.15 0.00 0.41 -0.54 0.00 0.00 175.26 173.16 1x5k n GLY 32 N 5.37 3.12 3.35 -1.50 0.00 -1.26 -5.03 105.19 109.25 1x5k n GLY 32 Ca 0.06 -1.00 -0.40 0.00 0.00 0.00 0.00 46.02 44.67 1x5k n GLY 32 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x5k s LYS 33 N 0.00 2.77 0.01 1.61 2.47 -1.24 -4.97 119.74 120.40 1x5k s LYS 33 Ca 0.00 -1.16 -0.23 0.00 -1.56 0.00 0.00 55.97 53.03 1x5k s LYS 33 Cb 0.00 -3.73 -0.17 0.00 -1.46 0.00 0.00 37.83 32.47 1x5k s LYS 33 CO 0.00 -0.75 1.31 -1.00 0.16 0.00 0.00 175.35 175.07 1x5k h PRO 34 N 8.43 0.20 0.00 4.03 0.13 -1.91 -2.97 132.00 139.91 1x5k h PRO 34 Ca -0.25 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1x5k h PRO 34 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1x5k h PRO 34 CO 0.68 0.63 0.13 0.87 -0.23 0.00 0.00 178.00 180.08 1x5k h LYS 35 N -0.22 0.00 -5.57 0.86 1.57 -1.93 -3.40 116.57 107.88 1x5k h LYS 35 Ca 0.01 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.14 1x5k h LYS 35 Cb 0.59 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.79 1x5k h LYS 35 CO 0.02 0.00 -0.52 0.99 -0.57 0.00 0.00 179.45 179.37 1x5k s THR 36 N -3.74 5.15 0.08 -0.16 2.01 -1.12 -3.16 115.64 114.70 1x5k s THR 36 Ca -0.03 0.08 0.02 0.00 0.31 0.00 0.00 61.69 62.07 1x5k s THR 36 Cb 0.08 -3.26 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 1x5k s THR 36 CO 0.24 0.56 -0.07 0.27 -0.69 0.00 0.00 174.62 174.93 1x5k s ILE 37 N -0.51 0.63 -0.18 1.82 -4.36 -0.56 -1.39 121.20 116.65 1x5k s ILE 37 Ca 0.11 -1.67 0.01 0.00 -0.26 0.00 0.00 60.65 58.85 1x5k s ILE 37 Cb -0.12 -1.35 0.03 0.00 1.25 0.00 0.00 42.46 42.27 1x5k s ILE 37 CO 0.02 -0.73 -0.17 -0.63 0.24 0.00 0.00 174.94 173.67 1x5k s ILE 38 N -2.95 1.90 -0.26 8.37 1.09 0.89 -1.70 121.20 128.55 1x5k s ILE 38 Ca 0.05 -0.93 -0.15 0.00 -1.10 0.00 0.00 60.65 58.52 1x5k s ILE 38 Cb 0.01 -1.79 -0.04 0.00 -1.06 0.00 0.00 42.46 39.58 1x5k s ILE 38 CO -0.03 0.43 0.38 -0.69 -0.10 0.00 0.00 174.94 174.93 1x5k s VAL 39 N 1.33 5.17 0.24 2.92 1.01 -0.26 -1.05 120.40 129.76 1x5k s VAL 39 Ca 0.03 0.60 0.08 0.00 0.00 0.00 0.00 61.98 62.70 1x5k s VAL 39 Cb -0.14 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1x5k s VAL 39 CO -0.11 0.16 0.07 0.20 0.00 0.00 0.00 175.10 175.42 1x5k s ASN 40 N 1.57 4.93 0.04 3.32 -0.87 0.39 -1.40 114.94 122.91 1x5k s ASN 40 Ca 0.16 -0.46 -0.26 0.00 -1.57 0.00 0.00 52.86 50.73 1x5k s ASN 40 Cb -0.16 -1.07 0.09 0.00 -0.02 0.00 0.00 41.25 40.09 1x5k s ASN 40 CO 0.10 0.00 1.18 -2.67 -2.57 0.00 0.00 177.10 173.14 1x5k n TRP 41 N -0.86 -0.65 -4.06 2.20 2.14 -1.01 -0.81 117.44 114.39 1x5k n TRP 41 Ca -0.07 -0.85 -0.08 0.00 2.07 0.00 0.00 57.50 58.56 1x5k n TRP 41 Cb 0.58 0.40 -0.10 0.00 -0.81 0.00 0.00 31.31 31.37 1x5k n TRP 41 CO 0.00 0.00 0.00 -0.65 2.07 0.00 0.00 177.69 179.11 1x5k s GLN 42 N -2.02 0.52 0.40 -2.67 -1.52 -0.35 -4.81 119.66 109.20 1x5k s GLN 42 Ca 0.27 -1.02 -0.25 0.00 -1.95 0.00 0.00 55.36 52.41 1x5k s GLN 42 Cb -0.01 0.16 -0.08 0.00 -0.22 0.00 0.00 33.01 32.85 1x5k s GLN 42 CO 0.01 -0.09 1.19 -1.25 -0.25 0.00 0.00 175.29 174.91 1x5k s PRO 43 N -3.11 4.05 0.85 2.91 0.04 -1.26 -2.28 135.00 136.19 1x5k s PRO 43 Ca -0.00 1.89 -0.11 0.00 0.04 0.00 0.00 61.00 62.82 1x5k s PRO 43 Cb 0.02 -2.70 0.10 0.00 0.04 0.00 0.00 34.50 31.96 1x5k s PRO 43 CO -0.07 -0.34 1.09 -1.25 0.04 0.00 0.00 177.00 176.48 1x5k s PRO 44 N -2.27 1.65 0.20 0.56 0.04 -1.26 -4.69 135.00 129.22 1x5k s PRO 44 Ca 0.57 0.95 -0.08 0.00 0.04 0.00 0.00 61.00 62.48 1x5k s PRO 44 Cb -0.32 -1.84 0.12 0.00 0.04 0.00 0.00 34.50 32.49 1x5k s PRO 44 CO 0.40 -2.01 1.72 1.03 0.04 0.00 0.00 177.00 178.18 1x5k h SER 45 N -1.38 1.08 -0.35 6.66 0.87 -1.95 -3.22 113.55 115.25 1x5k h SER 45 Ca -0.47 -0.23 0.03 0.00 -1.23 0.00 0.00 61.79 59.89 1x5k h SER 45 Cb 1.26 -0.28 -0.05 0.00 -0.44 0.00 0.00 62.40 62.89 1x5k h SER 45 CO 0.53 1.03 -0.30 -0.33 -0.53 0.00 0.00 176.83 177.24 1x5k h GLU 46 N 1.08 -0.11 -6.30 2.24 4.39 -1.95 -3.43 114.58 110.49 1x5k h GLU 46 Ca 0.22 0.01 -0.45 0.00 0.34 0.00 0.00 59.36 59.48 1x5k h GLU 46 Cb 0.37 0.03 -0.21 0.00 -0.10 0.00 0.00 28.75 28.83 1x5k h GLU 46 CO 0.00 -0.07 -0.68 0.00 -1.16 0.00 0.00 179.01 177.09 1x5k n ALA 47 N -3.00 -1.34 -0.87 3.43 0.00 -1.22 -4.69 120.51 112.82 1x5k n ALA 47 Ca -0.01 -0.23 -0.16 0.00 0.00 0.00 0.00 53.44 53.04 1x5k n ALA 47 Cb 0.16 -1.14 -0.10 0.00 0.00 0.00 0.00 19.45 18.37 1x5k n ALA 47 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1x5k n ASN 48 N -1.81 5.02 0.00 0.00 3.02 -1.26 -4.65 115.26 115.58 1x5k n ASN 48 Ca -0.09 -2.33 0.00 0.00 -0.03 0.00 0.00 54.58 52.13 1x5k n ASN 48 Cb 0.42 -1.19 0.00 0.00 -0.61 0.00 0.00 39.78 38.41 1x5k n ASN 48 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x5k n GLY 49 N 2.94 3.99 3.54 7.41 0.00 -1.26 -2.16 105.19 119.65 1x5k n GLY 49 Ca 0.43 -0.40 -0.59 0.00 0.00 0.00 0.00 46.02 45.46 1x5k n GLY 49 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x5k n LYS 50 N -0.56 0.17 -2.77 1.61 4.81 -1.26 -4.89 118.16 115.28 1x5k n LYS 50 Ca 0.00 0.06 -0.38 0.00 -0.87 0.00 0.00 58.31 57.12 1x5k n LYS 50 Cb 0.00 -1.59 -0.06 0.00 0.02 0.00 0.00 35.03 33.40 1x5k n LYS 50 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1x5k s ILE 51 N 0.39 4.16 -0.04 3.15 -1.09 -1.26 -4.07 121.20 122.45 1x5k s ILE 51 Ca 0.91 1.91 0.01 0.00 -2.23 0.00 0.00 60.65 61.26 1x5k s ILE 51 Cb -1.24 -4.11 -0.03 0.00 -1.58 0.00 0.00 42.46 35.49 1x5k s ILE 51 CO 0.58 0.26 -0.03 0.35 -1.23 0.00 0.00 174.94 174.87 1x5k n THR 52 N 0.86 0.25 -3.01 2.92 -2.24 -1.18 -4.92 114.28 106.96 1x5k n THR 52 Ca 0.01 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1x5k n THR 52 Cb 0.49 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 1x5k n THR 52 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x5k n GLY 53 N 3.17 1.31 3.29 3.38 0.00 -1.19 -3.35 105.19 111.80 1x5k n GLY 53 Ca -0.07 -0.73 -0.09 0.00 0.00 0.00 0.00 46.02 45.13 1x5k n GLY 53 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x5k s TYR 54 N -3.10 0.28 -0.08 1.61 1.51 -1.22 -2.92 117.35 113.43 1x5k s TYR 54 Ca 0.00 -0.67 0.00 0.00 -1.01 0.00 0.00 57.07 55.39 1x5k s TYR 54 Cb 0.00 -0.04 0.02 0.00 -0.11 0.00 0.00 41.96 41.83 1x5k s TYR 54 CO 0.00 -0.66 -0.07 0.42 -1.11 0.00 0.00 175.55 174.13 1x5k s ILE 55 N -3.92 0.86 -0.07 2.71 1.01 0.57 -0.23 121.20 122.14 1x5k s ILE 55 Ca 0.12 -0.24 -0.01 0.00 0.00 0.00 0.00 60.65 60.52 1x5k s ILE 55 Cb 0.04 -0.88 -0.03 0.00 0.01 0.00 0.00 42.46 41.60 1x5k s ILE 55 CO -0.04 0.32 0.00 -0.63 0.00 0.00 0.00 174.94 174.59 1x5k s ILE 56 N 1.34 4.31 -0.09 2.92 1.01 -0.50 -0.65 121.20 129.55 1x5k s ILE 56 Ca -0.03 -0.30 0.03 0.00 0.00 0.00 0.00 60.65 60.35 1x5k s ILE 56 Cb -0.14 -2.83 0.01 0.00 0.01 0.00 0.00 42.46 39.51 1x5k s ILE 56 CO -0.03 0.57 -0.17 -0.31 0.00 0.00 0.00 174.94 175.00 1x5k s TYR 57 N -0.92 1.94 0.02 3.97 1.51 0.43 -0.21 117.35 124.09 1x5k s TYR 57 Ca 0.14 -0.79 -0.00 0.00 -1.01 0.00 0.00 57.07 55.41 1x5k s TYR 57 Cb -0.11 -1.36 -0.02 0.00 -0.11 0.00 0.00 41.96 40.36 1x5k s TYR 57 CO 0.04 -0.37 -0.03 1.52 -1.11 0.00 0.00 175.55 175.61 1x5k s TYR 58 N 0.62 0.29 -0.15 2.71 -0.85 -1.24 -0.62 117.35 118.11 1x5k s TYR 58 Ca -0.15 -0.60 -0.32 0.00 -0.52 0.00 0.00 57.07 55.49 1x5k s TYR 58 Cb -0.16 -0.21 0.13 0.00 0.38 0.00 0.00 41.96 42.10 1x5k s TYR 58 CO 0.04 -0.22 1.12 0.45 -1.52 0.00 0.00 175.55 175.42 1x5k s SER 59 N -1.67 -0.22 -0.19 -0.18 0.15 -1.20 -2.56 113.70 107.84 1x5k s SER 59 Ca -0.13 0.08 -0.04 0.00 0.70 0.00 0.00 55.95 56.56 1x5k s SER 59 Cb -0.07 0.21 -0.06 0.00 -1.71 0.00 0.00 66.02 64.39 1x5k s SER 59 CO -0.02 -0.32 2.92 0.35 1.20 0.00 0.00 173.24 177.37 1x5k n THR 60 N 0.09 2.94 -3.32 6.45 -2.24 -1.26 -3.58 114.28 113.35 1x5k n THR 60 Ca -0.04 -1.88 0.02 0.00 -2.27 0.00 0.00 64.05 59.89 1x5k n THR 60 Cb 0.59 -1.71 -0.04 0.00 -2.10 0.00 0.00 70.33 67.07 1x5k n THR 60 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1x5k s ASP 61 N 1.22 -0.48 0.18 3.42 1.01 -1.26 -5.03 116.67 115.72 1x5k s ASP 61 Ca 0.51 0.60 0.10 0.00 0.71 0.00 0.00 52.55 54.46 1x5k s ASP 61 Cb 0.29 1.52 -0.11 0.00 1.01 0.00 0.00 42.92 45.63 1x5k s ASP 61 CO -0.07 -0.09 1.34 1.62 0.21 0.00 0.00 175.17 178.17 1x5k h VAL 62 N 5.41 1.41 -0.82 -1.27 3.04 -1.97 -3.23 116.25 118.81 1x5k h VAL 62 Ca -0.15 -2.99 -0.35 0.00 -1.01 0.00 0.00 66.70 62.20 1x5k h VAL 62 Cb 1.13 2.69 -0.21 0.00 -2.01 0.00 0.00 31.29 32.89 1x5k h VAL 62 CO 0.06 0.80 0.45 0.59 -1.01 0.00 0.00 177.57 178.46 1x5k n ASN 63 N -3.30 4.13 -4.85 3.17 3.02 -1.26 -4.94 115.26 111.23 1x5k n ASN 63 Ca 0.01 -3.32 -0.38 0.00 -0.03 0.00 0.00 54.58 50.86 1x5k n ASN 63 Cb 0.87 -0.78 -0.06 0.00 -0.61 0.00 0.00 39.78 39.20 1x5k n ASN 63 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x5k s ALA 64 N -2.93 3.76 0.19 5.41 0.00 -1.22 -5.03 121.76 121.93 1x5k s ALA 64 Ca 0.52 -0.38 -0.32 0.00 0.00 0.00 0.00 51.96 51.78 1x5k s ALA 64 Cb 0.43 -2.24 -0.15 0.00 0.00 0.00 0.00 23.12 21.16 1x5k s ALA 64 CO 0.11 0.51 1.18 0.39 0.00 0.00 0.00 175.76 177.96 1x5k n GLU 65 N 1.96 1.29 -0.37 0.00 -0.58 -1.26 -4.79 120.64 116.89 1x5k n GLU 65 Ca -0.16 0.46 0.32 0.00 -0.42 0.00 0.00 57.16 57.36 1x5k n GLU 65 Cb 0.53 -1.97 0.59 0.00 -0.57 0.00 0.00 31.44 30.03 1x5k n GLU 65 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 1x5k h ILE 66 N 2.67 0.10 -0.77 -3.67 6.09 -1.96 1.32 117.51 121.29 1x5k h ILE 66 Ca -0.43 -0.03 -0.02 0.00 -1.37 0.00 0.00 64.86 63.00 1x5k h ILE 66 Cb 1.33 -0.00 -0.04 0.00 0.47 0.00 0.00 36.82 38.58 1x5k h ILE 66 CO 0.70 0.02 0.38 1.12 -3.07 0.00 0.00 178.15 177.30 1x5k h HIS 67 N 0.09 1.08 -0.51 2.19 2.07 -2.02 -2.12 115.15 115.94 1x5k h HIS 67 Ca 0.82 -0.04 0.07 0.00 -2.85 0.00 0.00 60.37 58.37 1x5k h HIS 67 Cb 2.27 -0.34 -0.03 0.00 2.57 0.00 0.00 27.41 31.88 1x5k h HIS 67 CO -0.01 0.78 0.34 0.22 -3.07 0.00 0.00 177.93 176.19 1x5k h ASP 68 N 1.09 0.36 -3.75 3.10 3.58 0.14 -3.42 116.42 117.52 1x5k h ASP 68 Ca 0.27 0.00 -0.52 0.00 0.42 0.00 0.00 57.03 57.20 1x5k h ASP 68 Cb 0.09 -0.07 0.06 0.00 1.72 0.00 0.00 39.33 41.12 1x5k h ASP 68 CO -0.04 0.23 0.67 0.26 -2.88 0.00 0.00 179.24 177.48 1x5k s TRP 69 N -5.38 3.04 0.54 0.28 0.52 -0.80 -4.98 118.94 112.15 1x5k s TRP 69 Ca -0.08 1.32 -0.18 0.00 0.02 0.00 0.00 56.10 57.18 1x5k s TRP 69 Cb 0.19 -3.71 -0.06 0.00 -1.15 0.00 0.00 33.47 28.73 1x5k s TRP 69 CO 0.74 -2.06 1.06 0.54 0.02 0.00 0.00 176.95 177.25 1x5k s VAL 70 N -0.82 3.68 -0.36 4.03 0.11 -1.06 -4.89 120.40 121.08 1x5k s VAL 70 Ca 0.52 0.95 -0.12 0.00 -2.93 0.00 0.00 61.98 60.40 1x5k s VAL 70 Cb -0.40 -3.39 0.01 0.00 -1.53 0.00 0.00 36.38 31.07 1x5k s VAL 70 CO 0.50 -0.32 0.21 -0.63 -3.33 0.00 0.00 175.10 171.54 1x5k s ILE 71 N -2.12 4.76 -0.85 7.04 1.01 -1.26 -3.62 121.20 126.16 1x5k s ILE 71 Ca 0.67 -0.67 -0.04 0.00 0.00 0.00 0.00 60.65 60.61 1x5k s ILE 71 Cb -0.17 -3.59 0.21 0.00 0.01 0.00 0.00 42.46 38.92 1x5k s ILE 71 CO 0.27 -0.16 0.73 -1.61 0.00 0.00 0.00 174.94 174.17 1x5k s GLU 72 N 1.60 3.22 -0.06 2.79 8.01 0.71 -4.98 118.70 130.00 1x5k s GLU 72 Ca 0.03 -3.03 -0.30 0.00 0.01 0.00 0.00 54.97 51.68 1x5k s GLU 72 Cb -0.19 -4.00 -0.05 0.00 -4.31 0.00 0.00 34.13 25.59 1x5k s GLU 72 CO 0.07 -1.24 1.49 -1.25 0.01 0.00 0.00 175.26 174.35 1x5k s PRO 73 N -0.92 4.22 -0.52 0.39 0.04 -1.26 -1.41 135.00 135.55 1x5k s PRO 73 Ca 0.24 2.02 -0.20 0.00 0.04 0.00 0.00 61.00 63.10 1x5k s PRO 73 Cb -0.11 -3.80 0.06 0.00 0.04 0.00 0.00 34.50 30.70 1x5k s PRO 73 CO -0.10 -0.73 0.66 0.08 0.04 0.00 0.00 177.00 176.96 1x5k s VAL 74 N 3.36 4.82 0.91 -0.36 1.01 0.69 -5.00 120.40 125.84 1x5k s VAL 74 Ca 0.66 -0.47 -0.10 0.00 0.00 0.00 0.00 61.98 62.08 1x5k s VAL 74 Cb -0.31 -4.34 0.15 0.00 0.00 0.00 0.00 36.38 31.88 1x5k s VAL 74 CO 0.25 -0.87 1.14 1.33 0.00 0.00 0.00 175.10 176.96 1x5k n VAL 75 N 5.66 0.11 -1.21 2.92 0.24 -1.26 -3.37 118.33 121.43 1x5k n VAL 75 Ca -0.06 -0.01 0.14 0.00 -2.04 0.00 0.00 64.34 62.37 1x5k n VAL 75 Cb 0.45 -1.01 -0.05 0.00 -1.47 0.00 0.00 33.84 31.77 1x5k n VAL 75 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1x5k n GLY 76 N 0.30 -1.88 2.61 7.63 0.00 -1.26 -3.95 105.19 108.64 1x5k n GLY 76 Ca 0.12 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 1x5k n GLY 76 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x5k n ASN 77 N -4.29 5.43 -4.89 1.61 0.23 -1.21 -4.32 115.26 107.82 1x5k n ASN 77 Ca -0.02 -2.73 -0.35 0.00 -0.53 0.00 0.00 54.58 50.95 1x5k n ASN 77 Cb 0.64 -1.58 -0.05 0.00 -2.08 0.00 0.00 39.78 36.70 1x5k n ASN 77 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 1x5k s ARG 78 N 2.96 3.50 0.00 -3.83 6.06 -1.25 -4.99 118.95 121.39 1x5k s ARG 78 Ca 0.55 -0.17 0.12 0.00 -2.50 0.00 0.00 55.73 53.73 1x5k s ARG 78 Cb 0.15 -3.12 0.12 0.00 0.06 0.00 0.00 34.95 32.17 1x5k s ARG 78 CO -0.07 0.69 0.94 1.28 -2.50 0.00 0.00 175.30 175.64 1x5k n LEU 79 N 1.30 2.14 -4.13 -0.88 4.77 -1.26 -4.67 117.00 114.28 1x5k n LEU 79 Ca -0.13 -1.11 -0.18 0.00 -0.03 0.00 0.00 56.01 54.56 1x5k n LEU 79 Cb 0.53 -0.03 -0.13 0.00 -2.33 0.00 0.00 43.42 41.47 1x5k n LEU 79 CO 0.39 0.42 -0.45 0.28 -1.33 0.00 0.00 177.39 176.71 1x5k s THR 80 N -1.03 0.97 0.08 -5.08 -1.32 -1.26 -2.41 115.64 105.59 1x5k s THR 80 Ca 0.16 -1.06 0.04 0.00 -1.21 0.00 0.00 61.69 59.61 1x5k s THR 80 Cb 0.11 -0.92 -0.03 0.00 -1.51 0.00 0.00 72.50 70.15 1x5k s THR 80 CO 0.16 -0.13 -0.11 -2.28 -2.21 0.00 0.00 174.62 170.05 1x5k s HIS 81 N -1.03 1.04 -0.10 9.09 2.46 -0.49 -4.97 115.29 121.27 1x5k s HIS 81 Ca -0.02 -0.57 0.03 0.00 0.47 0.00 0.00 55.06 54.97 1x5k s HIS 81 Cb -0.09 -0.58 0.01 0.00 -0.13 0.00 0.00 32.58 31.80 1x5k s HIS 81 CO 0.01 0.00 -0.18 -0.65 -2.47 0.00 0.00 174.74 171.45 1x5k s GLN 82 N -2.28 2.50 -0.15 2.88 -0.21 -1.26 -1.10 119.66 120.03 1x5k s GLN 82 Ca 0.01 -0.68 0.00 0.00 0.02 0.00 0.00 55.36 54.71 1x5k s GLN 82 Cb -0.06 -2.01 0.03 0.00 1.00 0.00 0.00 33.01 31.97 1x5k s GLN 82 CO 0.01 0.03 -0.10 0.42 -2.12 0.00 0.00 175.29 173.53 1x5k s ILE 83 N 0.71 1.34 0.23 1.08 1.01 -0.69 -4.99 121.20 119.89 1x5k s ILE 83 Ca -0.12 -0.60 0.02 0.00 0.00 0.00 0.00 60.65 59.96 1x5k s ILE 83 Cb -0.16 -1.36 0.02 0.00 0.01 0.00 0.00 42.46 40.97 1x5k s ILE 83 CO 0.02 0.32 0.17 0.00 0.00 0.00 0.00 174.94 175.46 1x5k n GLN 84 N 4.83 1.15 -3.92 2.79 10.64 -1.26 -1.49 117.38 130.11 1x5k n GLN 84 Ca -0.14 -1.45 -0.32 0.00 -1.83 0.00 0.00 57.00 53.26 1x5k n GLN 84 Cb 0.49 0.16 -0.00 0.00 -0.86 0.00 0.00 30.24 30.03 1x5k n GLN 84 CO 0.00 0.00 0.00 -0.85 -1.83 0.00 0.00 177.06 174.38 1x5k n GLU 85 N -1.04 -1.82 -2.57 2.61 0.28 -1.25 -4.90 120.64 111.94 1x5k n GLU 85 Ca -0.01 0.33 -0.13 0.00 -0.16 0.00 0.00 57.16 57.19 1x5k n GLU 85 Cb 0.26 -3.93 0.01 0.00 1.43 0.00 0.00 31.44 29.21 1x5k n GLU 85 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1x5k n LEU 86 N -4.47 0.00 -4.66 -1.84 4.77 -1.19 -5.09 117.00 104.53 1x5k n LEU 86 Ca -0.21 -1.52 -0.35 0.00 -0.03 0.00 0.00 56.01 53.91 1x5k n LEU 86 Cb 0.63 -0.09 -0.09 0.00 -2.33 0.00 0.00 43.42 41.54 1x5k n LEU 86 CO 0.73 -0.49 -0.26 -0.89 -1.33 0.00 0.00 177.39 175.15 1x5k s THR 87 N -1.34 4.70 0.74 -5.08 2.01 -1.26 -4.90 115.64 110.50 1x5k s THR 87 Ca 0.22 -0.08 -0.02 0.00 0.31 0.00 0.00 61.69 62.12 1x5k s THR 87 Cb -0.02 -3.08 0.13 0.00 0.01 0.00 0.00 72.50 69.55 1x5k s THR 87 CO 0.14 0.51 1.02 -0.76 -0.69 0.00 0.00 174.62 174.84 1x5k s LEU 88 N -0.01 2.95 -1.66 4.42 1.43 -1.26 -4.34 118.68 120.22 1x5k s LEU 88 Ca 0.05 -0.31 -0.21 0.00 -1.03 0.00 0.00 54.13 52.63 1x5k s LEU 88 Cb -0.12 -2.01 0.21 0.00 0.03 0.00 0.00 46.19 44.30 1x5k s LEU 88 CO 0.01 -1.93 0.53 -0.67 0.23 0.00 0.00 176.35 174.52 1x5k n ASP 89 N -2.91 -1.64 -3.74 2.29 -0.08 -1.24 -4.88 116.55 104.36 1x5k n ASP 89 Ca 0.15 -1.08 -0.12 0.00 -1.51 0.00 0.00 54.79 52.23 1x5k n ASP 89 Cb 0.60 -1.44 -0.12 0.00 2.34 0.00 0.00 41.12 42.51 1x5k n ASP 89 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1x5k s THR 90 N -3.00 -0.02 0.08 5.18 2.01 -1.26 -5.01 115.64 113.62 1x5k s THR 90 Ca 0.74 0.06 -0.31 0.00 0.31 0.00 0.00 61.69 62.49 1x5k s THR 90 Cb -0.43 -0.45 -0.07 0.00 0.01 0.00 0.00 72.50 71.56 1x5k s THR 90 CO 0.90 0.03 1.38 -2.16 -0.69 0.00 0.00 174.62 174.08 1x5k s PRO 91 N 0.74 4.32 -0.06 4.92 0.04 -1.26 -3.28 135.00 140.42 1x5k s PRO 91 Ca -0.05 2.03 0.02 0.00 0.04 0.00 0.00 61.00 63.04 1x5k s PRO 91 Cb -0.06 -3.34 0.02 0.00 0.04 0.00 0.00 34.50 31.16 1x5k s PRO 91 CO -0.05 -0.46 -0.09 0.71 0.04 0.00 0.00 177.00 177.14 1x5k s TYR 92 N 1.44 1.20 -0.14 0.56 1.51 -1.17 -4.78 117.35 115.98 1x5k s TYR 92 Ca 0.64 -0.42 -0.06 0.00 -1.01 0.00 0.00 57.07 56.22 1x5k s TYR 92 Cb -0.35 -0.92 -0.04 0.00 -0.11 0.00 0.00 41.96 40.54 1x5k s TYR 92 CO 0.29 -0.25 0.08 0.71 -1.11 0.00 0.00 175.55 175.28 1x5k s TYR 93 N 0.76 3.36 0.15 2.71 1.51 -1.24 -1.11 117.35 123.49 1x5k s TYR 93 Ca -0.13 0.28 0.11 0.00 -1.01 0.00 0.00 57.07 56.31 1x5k s TYR 93 Cb -0.15 -1.97 -0.04 0.00 -0.11 0.00 0.00 41.96 39.69 1x5k s TYR 93 CO 0.02 0.44 -0.24 -0.06 -1.11 0.00 0.00 175.55 174.60 1x5k s PHE 94 N -0.40 2.19 -0.05 2.71 0.08 -0.65 -3.23 117.98 118.64 1x5k s PHE 94 Ca 0.10 -0.39 -0.02 0.00 0.12 0.00 0.00 56.93 56.74 1x5k s PHE 94 Cb -0.12 -1.15 0.03 0.00 -0.57 0.00 0.00 43.02 41.22 1x5k s PHE 94 CO 0.02 0.37 0.11 0.15 -0.10 0.00 0.00 175.22 175.76 1x5k s LYS 95 N -2.29 0.05 -0.04 0.44 1.02 0.21 -1.70 119.74 117.43 1x5k s LYS 95 Ca 0.15 0.30 -0.02 0.00 0.02 0.00 0.00 55.97 56.42 1x5k s LYS 95 Cb -0.09 -0.19 -0.04 0.00 -0.52 0.00 0.00 37.83 36.99 1x5k s LYS 95 CO 0.07 -0.16 0.09 0.42 -0.92 0.00 0.00 175.35 174.85 1x5k s ILE 96 N 1.09 4.91 -0.00 2.17 1.01 -1.26 -0.42 121.20 128.69 1x5k s ILE 96 Ca -0.09 -0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.34 1x5k s ILE 96 Cb -0.12 -3.20 0.01 0.00 0.01 0.00 0.00 42.46 39.16 1x5k s ILE 96 CO -0.05 0.45 0.00 -1.58 0.00 0.00 0.00 174.94 173.76 1x5k s GLN 97 N -1.47 0.02 -0.08 2.79 0.74 0.17 -3.19 119.66 118.65 1x5k s GLN 97 Ca 0.20 0.02 -0.05 0.00 0.05 0.00 0.00 55.36 55.59 1x5k s GLN 97 Cb -0.12 -0.08 -0.04 0.00 1.10 0.00 0.00 33.01 33.87 1x5k s GLN 97 CO 0.10 -0.03 0.12 0.00 -0.55 0.00 0.00 175.29 174.93 1x5k s ALA 98 N 0.21 3.76 -0.01 1.58 0.00 -1.26 -0.31 121.76 125.73 1x5k s ALA 98 Ca -0.02 -0.72 -0.06 0.00 0.00 0.00 0.00 51.96 51.16 1x5k s ALA 98 Cb -0.03 -1.82 0.00 0.00 0.00 0.00 0.00 23.12 21.27 1x5k s ALA 98 CO -0.01 0.65 0.12 -0.98 0.00 0.00 0.00 175.76 175.54 1x5k s ARG 99 N -1.25 0.41 0.30 0.00 1.70 -1.15 -1.80 118.95 117.17 1x5k s ARG 99 Ca 0.18 -0.31 0.02 0.00 -0.47 0.00 0.00 55.73 55.14 1x5k s ARG 99 Cb -0.12 0.17 -0.01 0.00 -0.57 0.00 0.00 34.95 34.42 1x5k s ARG 99 CO 0.07 -0.09 0.07 0.27 -1.08 0.00 0.00 175.30 174.54 1x5k n ASN 100 N 1.74 1.73 -0.34 -2.89 0.23 0.33 -3.11 115.26 112.96 1x5k n ASN 100 Ca -0.21 -2.49 0.33 0.00 -0.53 0.00 0.00 54.58 51.68 1x5k n ASN 100 Cb 0.56 0.55 0.59 0.00 -2.08 0.00 0.00 39.78 39.41 1x5k n ASN 100 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 1x5k h SER 101 N 1.01 0.32 0.00 0.53 0.87 -1.93 -2.19 113.55 112.16 1x5k h SER 101 Ca -0.24 0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1x5k h SER 101 Cb 0.84 0.25 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 1x5k h SER 101 CO 0.39 -0.40 0.00 0.29 -0.53 0.00 0.00 176.83 176.57 1x5k n LYS 102 N -5.19 0.00 -0.17 2.24 4.76 -1.26 -5.05 118.16 113.49 1x5k n LYS 102 Ca 0.38 0.25 0.00 0.00 -2.87 0.00 0.00 58.31 56.07 1x5k n LYS 102 Cb 1.31 -1.08 0.00 0.00 -1.84 0.00 0.00 35.03 33.42 1x5k n LYS 102 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x5k n GLY 103 N 0.27 2.35 3.81 0.72 0.00 -0.82 -5.08 105.19 106.44 1x5k n GLY 103 Ca 0.00 -0.75 -0.20 0.00 0.00 0.00 0.00 46.02 45.07 1x5k n GLY 103 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1x5k n MET 104 N 0.00 0.36 0.00 1.61 0.00 -1.26 -0.51 117.12 117.32 1x5k n MET 104 Ca 0.00 -2.91 0.00 0.00 0.00 0.00 0.00 57.70 54.79 1x5k n MET 104 Cb 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 33.22 32.84 1x5k n MET 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1x5k n GLY 105 N -2.11 6.25 3.63 3.17 0.00 -0.74 -4.66 105.19 110.74 1x5k n GLY 105 Ca 0.16 -1.67 -0.29 0.00 0.00 0.00 0.00 46.02 44.22 1x5k n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5k s PRO 106 N 1.15 -0.38 0.15 1.61 0.04 -1.26 -4.85 135.00 131.47 1x5k s PRO 106 Ca 0.00 0.24 0.07 0.00 0.04 0.00 0.00 61.00 61.36 1x5k s PRO 106 Cb 0.00 -1.67 -0.04 0.00 0.04 0.00 0.00 34.50 32.83 1x5k s PRO 106 CO 0.00 -3.21 -0.03 -1.64 0.04 0.00 0.00 177.00 172.16 1x5k s MET 107 N -5.15 2.32 0.49 4.56 -1.94 -1.26 -4.54 119.30 113.78 1x5k s MET 107 Ca 0.68 -1.09 -0.09 0.00 -1.71 0.00 0.00 55.69 53.48 1x5k s MET 107 Cb -0.15 -2.34 -0.05 0.00 2.01 0.00 0.00 34.83 34.30 1x5k s MET 107 CO 0.57 0.47 0.85 -1.54 -0.01 0.00 0.00 175.02 175.36 1x5k s SER 108 N -2.73 6.38 0.38 3.03 1.04 -1.19 -4.93 113.70 115.68 1x5k s SER 108 Ca 0.26 1.16 -0.25 0.00 0.48 0.00 0.00 55.95 57.61 1x5k s SER 108 Cb -0.10 -2.35 -0.13 0.00 0.10 0.00 0.00 66.02 63.55 1x5k s SER 108 CO 0.17 -0.58 0.80 -0.62 0.98 0.00 0.00 173.24 174.00 1x5k n GLU 109 N -1.95 0.96 -1.53 4.02 -0.58 -1.26 -4.73 120.64 115.57 1x5k n GLU 109 Ca 0.03 0.34 -0.43 0.00 -0.42 0.00 0.00 57.16 56.68 1x5k n GLU 109 Cb 0.54 -1.72 -0.05 0.00 -0.57 0.00 0.00 31.44 29.64 1x5k n GLU 109 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1x5k n ALA 110 N -0.44 1.20 -2.61 0.62 0.00 -1.26 -4.81 120.51 113.20 1x5k n ALA 110 Ca 0.11 -0.39 -0.42 0.00 0.00 0.00 0.00 53.44 52.74 1x5k n ALA 110 Cb 0.37 -2.85 -0.03 0.00 0.00 0.00 0.00 19.45 16.94 1x5k n ALA 110 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1x5k s VAL 111 N 9.18 4.03 -0.21 0.00 1.01 -0.69 -4.86 120.40 128.87 1x5k s VAL 111 Ca 1.05 0.51 -0.29 0.00 0.00 0.00 0.00 61.98 63.25 1x5k s VAL 111 Cb -0.51 -4.75 -0.00 0.00 0.00 0.00 0.00 36.38 31.12 1x5k s VAL 111 CO 0.38 -1.47 1.19 -1.58 0.00 0.00 0.00 175.10 173.62 1x5k s GLN 112 N 4.91 4.20 -0.22 2.72 0.74 -1.26 -1.63 119.66 129.12 1x5k s GLN 112 Ca 0.36 1.49 -0.02 0.00 0.05 0.00 0.00 55.36 57.24 1x5k s GLN 112 Cb -0.10 -3.74 0.06 0.00 1.10 0.00 0.00 33.01 30.34 1x5k s GLN 112 CO 0.20 -0.74 0.02 0.12 -0.55 0.00 0.00 175.29 174.33 1x5k s PHE 113 N 3.51 1.52 0.00 1.67 2.19 -0.26 -5.00 117.98 121.61 1x5k s PHE 113 Ca 0.51 -1.23 -0.30 0.00 0.33 0.00 0.00 56.93 56.23 1x5k s PHE 113 Cb -0.18 -1.28 -0.05 0.00 -1.31 0.00 0.00 43.02 40.19 1x5k s PHE 113 CO 0.13 -0.69 1.38 0.50 1.83 0.00 0.00 175.22 178.37 1x5k s ARG 114 N 1.69 4.29 0.40 10.12 3.52 -1.26 -3.04 118.95 134.68 1x5k s ARG 114 Ca -0.01 1.95 -0.26 0.00 -0.13 0.00 0.00 55.73 57.28 1x5k s ARG 114 Cb -0.18 -3.56 -0.09 0.00 -1.56 0.00 0.00 34.95 29.57 1x5k s ARG 114 CO -0.09 -0.56 1.27 0.95 -0.81 0.00 0.00 175.30 176.06 1x5k s THR 115 N 2.31 2.75 0.00 4.11 -4.23 -1.21 -5.01 115.64 114.37 1x5k s THR 115 Ca 0.63 0.66 0.00 0.00 -1.18 0.00 0.00 61.69 61.80 1x5k s THR 115 Cb -0.31 -3.39 0.00 0.00 1.34 0.00 0.00 72.50 70.14 1x5k s THR 115 CO 0.26 0.09 0.00 -0.81 -0.54 0.00 0.00 174.62 173.62 1x5k n PRO 116 N 0.12 0.28 -4.10 3.99 -0.04 -1.26 -3.83 135.00 130.15 1x5k n PRO 116 Ca 0.04 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.41 1x5k n PRO 116 Cb 0.44 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.80 1x5k n PRO 116 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1x5k s LYS 117 N -1.06 0.65 -0.04 0.54 -0.14 -1.26 -3.59 119.74 114.84 1x5k s LYS 117 Ca 0.00 -1.16 -0.02 0.00 -1.36 0.00 0.00 55.97 53.43 1x5k s LYS 117 Cb 0.00 0.03 -0.05 0.00 -1.68 0.00 0.00 37.83 36.13 1x5k s LYS 117 CO 0.00 -0.06 2.45 0.00 -0.76 0.00 0.00 175.35 176.98 1x5k n ALA 118 N 0.30 4.79 -2.92 5.17 0.00 -1.26 -4.84 120.51 121.75 1x5k n ALA 118 Ca -0.15 -0.71 -0.34 0.00 0.00 0.00 0.00 53.44 52.24 1x5k n ALA 118 Cb 0.60 -1.41 -0.11 0.00 0.00 0.00 0.00 19.45 18.52 1x5k n ALA 118 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x5k s SER 119 N 1.80 5.16 0.00 0.00 0.15 -1.26 -4.86 113.70 114.69 1x5k s SER 119 Ca 0.22 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.81 1x5k s SER 119 Cb 0.12 -1.87 0.00 0.00 -1.71 0.00 0.00 66.02 62.56 1x5k s SER 119 CO -0.01 0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.19 1x5k n GLY 120 N 3.72 0.33 3.64 9.45 0.00 -1.26 -5.12 105.19 115.96 1x5k n GLY 120 Ca -0.17 -0.70 -0.29 0.00 0.00 0.00 0.00 46.02 44.86 1x5k n GLY 120 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5k s PRO 121 N -0.18 -0.22 0.72 1.61 0.04 -1.26 -5.05 135.00 130.66 1x5k s PRO 121 Ca 0.00 0.29 -0.10 0.00 0.04 0.00 0.00 61.00 61.23 1x5k s PRO 121 Cb 0.00 -1.68 0.04 0.00 0.04 0.00 0.00 34.50 32.90 1x5k s PRO 121 CO 0.00 -3.12 1.08 -1.12 0.04 0.00 0.00 177.00 173.88 1x5k s SER 122 N -3.61 5.05 -0.09 6.66 0.01 -1.26 -5.08 113.70 115.38 1x5k s SER 122 Ca 0.67 0.82 0.04 0.00 1.31 0.00 0.00 55.95 58.80 1x5k s SER 122 Cb -0.16 -1.52 -0.00 0.00 0.21 0.00 0.00 66.02 64.55 1x5k s SER 122 CO 0.57 -1.53 -0.24 -0.55 0.41 0.00 0.00 173.24 171.91 1x5k s SER 123 N -4.45 3.15 0.00 2.44 0.15 -1.26 -5.33 113.70 108.40 1x5k s SER 123 Ca 0.59 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.72 1x5k s SER 123 Cb -0.11 -1.22 0.00 0.00 -1.71 0.00 0.00 66.02 62.98 1x5k s SER 123 CO 0.48 0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.73