#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 0.21 -0.03 1.61 0.01 -1.26 -5.17 113.70 109.07 1x5k s SER 2 Ca 0.00 -1.30 -0.08 0.00 1.31 0.00 0.00 55.95 55.87 1x5k s SER 2 Cb 0.00 0.35 0.01 0.00 0.21 0.00 0.00 66.02 66.59 1x5k s SER 2 CO 0.00 -0.80 0.19 -0.94 0.41 0.00 0.00 173.24 172.10 1x5k s SER 3 N -3.11 -0.10 -0.10 2.44 1.04 -1.26 -5.09 113.70 107.52 1x5k s SER 3 Ca 0.32 0.09 -0.02 0.00 0.48 0.00 0.00 55.95 56.82 1x5k s SER 3 Cb 0.07 0.31 -0.01 0.00 0.10 0.00 0.00 66.02 66.49 1x5k s SER 3 CO 0.08 -0.26 0.03 1.23 0.98 0.00 0.00 173.24 175.30 1x5k h GLY 4 N 4.87 0.00 -6.34 7.32 0.00 -2.03 -3.48 103.07 103.41 1x5k h GLY 4 Ca -0.28 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.57 1x5k h GLY 4 CO 0.39 0.00 -0.82 -1.26 0.00 0.00 0.00 176.54 174.86 1x5k n SER 5 N -4.77 -2.58 -0.08 0.19 2.88 -1.26 -4.88 113.62 103.13 1x5k n SER 5 Ca -0.01 -0.87 -0.16 0.00 -1.33 0.00 0.00 58.87 56.50 1x5k n SER 5 Cb 0.03 -3.62 -0.06 0.00 -0.75 0.00 0.00 64.21 59.82 1x5k n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x5k n SER 6 N -2.91 1.17 0.00 -3.46 7.64 -1.26 -5.14 113.62 109.65 1x5k n SER 6 Ca -0.13 0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1x5k n SER 6 Cb 0.60 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 1x5k n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5k n GLY 7 N 2.06 3.66 3.66 0.23 0.00 -1.26 -5.10 105.19 108.44 1x5k n GLY 7 Ca -0.30 -1.70 -0.40 0.00 0.00 0.00 0.00 46.02 43.61 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 -1.78 2.84 -2.41 2.61 -2.24 -1.26 -4.84 114.28 107.19 1x5k n THR 8 Ca 0.00 -0.50 -0.38 0.00 -2.27 0.00 0.00 64.05 60.90 1x5k n THR 8 Cb 0.00 -1.35 -0.03 0.00 -2.10 0.00 0.00 70.33 66.86 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 -1.29 2.68 0.16 6.98 0.00 -1.26 -4.87 121.76 124.16 1x5k s ALA 9 Ca 0.65 -2.45 -0.21 0.00 0.00 0.00 0.00 51.96 49.96 1x5k s ALA 9 Cb -0.50 -4.61 0.06 0.00 0.00 0.00 0.00 23.12 18.06 1x5k s ALA 9 CO 0.55 -3.93 0.57 -1.58 0.00 0.00 0.00 175.76 171.36 1x5k s HIS 10 N 6.42 -0.43 0.00 0.00 2.46 -1.26 -5.06 115.29 117.42 1x5k s HIS 10 Ca 0.57 0.18 0.00 0.00 0.47 0.00 0.00 55.06 56.27 1x5k s HIS 10 Cb 0.01 0.50 0.00 0.00 -0.13 0.00 0.00 32.58 32.96 1x5k s HIS 10 CO 0.04 -0.85 0.00 0.41 -2.47 0.00 0.00 174.74 171.86 1x5k n GLY 11 N -0.35 1.94 3.36 1.59 0.00 -1.26 -4.99 105.19 105.48 1x5k n GLY 11 Ca -0.16 -0.60 -0.46 0.00 0.00 0.00 0.00 46.02 44.80 1x5k n GLY 11 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x5k s THR 12 N 0.00 5.24 -0.08 2.61 2.01 -1.26 -5.04 115.64 119.13 1x5k s THR 12 Ca 0.00 -1.90 -0.03 0.00 0.31 0.00 0.00 61.69 60.07 1x5k s THR 12 Cb 0.00 -4.52 -0.04 0.00 0.01 0.00 0.00 72.50 67.96 1x5k s THR 12 CO 0.00 -1.12 0.04 -0.89 -0.69 0.00 0.00 174.62 171.96 1x5k s THR 13 N 1.30 4.62 -0.60 -0.82 2.01 -1.26 -5.07 115.64 115.82 1x5k s THR 13 Ca 0.18 -0.20 -0.13 0.00 0.31 0.00 0.00 61.69 61.85 1x5k s THR 13 Cb -0.14 -2.99 0.15 0.00 0.01 0.00 0.00 72.50 69.53 1x5k s THR 13 CO -0.05 0.56 0.52 0.12 -0.69 0.00 0.00 174.62 175.08 1x5k s PHE 14 N -0.97 3.43 0.18 4.92 5.36 -1.26 -5.05 117.98 124.59 1x5k s PHE 14 Ca 0.15 -1.71 0.10 0.00 -0.96 0.00 0.00 56.93 54.51 1x5k s PHE 14 Cb -0.12 -3.68 -0.04 0.00 -0.34 0.00 0.00 43.02 38.84 1x5k s PHE 14 CO 0.05 -0.99 -0.20 -2.00 -1.46 0.00 0.00 175.22 170.61 1x5k s GLU 15 N 1.08 1.38 -0.23 10.12 2.56 -1.26 -5.11 118.70 127.24 1x5k s GLU 15 Ca 0.08 -1.47 0.02 0.00 0.00 0.00 0.00 54.97 53.60 1x5k s GLU 15 Cb -0.24 -1.53 0.05 0.00 2.00 0.00 0.00 34.13 34.42 1x5k s GLU 15 CO -0.01 0.32 -0.10 -0.51 -0.56 0.00 0.00 175.26 174.39 1x5k s LEU 16 N -2.71 2.77 0.70 2.70 1.43 -1.26 -5.05 118.68 117.26 1x5k s LEU 16 Ca 0.18 -1.13 -0.17 0.00 -1.03 0.00 0.00 54.13 51.98 1x5k s LEU 16 Cb -0.06 -1.35 -0.08 0.00 0.03 0.00 0.00 46.19 44.73 1x5k s LEU 16 CO 0.08 -0.18 0.22 1.33 0.23 0.00 0.00 176.35 178.04 1x5k n VAL 17 N 4.58 1.17 -2.06 -1.59 0.24 -1.26 -3.31 118.33 116.10 1x5k n VAL 17 Ca -0.14 -0.43 -0.40 0.00 -2.04 0.00 0.00 64.34 61.32 1x5k n VAL 17 Cb 0.44 -0.48 -0.03 0.00 -1.47 0.00 0.00 33.84 32.30 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 -2.26 2.97 -0.10 7.34 0.04 -1.26 -4.81 135.00 136.92 1x5k s PRO 18 Ca 0.61 0.92 0.03 0.00 0.04 0.00 0.00 61.00 62.60 1x5k s PRO 18 Cb -0.36 -4.28 0.22 0.00 0.04 0.00 0.00 34.50 30.11 1x5k s PRO 18 CO 0.63 -2.30 1.06 -2.37 0.04 0.00 0.00 177.00 174.05 1x5k n THR 19 N 7.27 1.21 -4.40 1.26 5.66 -1.26 -3.84 114.28 120.17 1x5k n THR 19 Ca 0.21 -0.48 -0.20 0.00 -3.05 0.00 0.00 64.05 60.53 1x5k n THR 19 Cb 0.50 -0.64 -0.15 0.00 -1.55 0.00 0.00 70.33 68.49 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 0.05 1.17 0.95 1.09 0.15 -1.26 -4.76 113.70 111.09 1x5k s SER 20 Ca 0.16 -0.18 -0.12 0.00 0.70 0.00 0.00 55.95 56.51 1x5k s SER 20 Cb 0.13 -0.21 0.16 0.00 -1.71 0.00 0.00 66.02 64.39 1x5k s SER 20 CO 0.04 0.10 1.09 -2.16 1.20 0.00 0.00 173.24 173.51 1x5k s PRO 21 N -0.05 0.80 1.24 5.44 0.04 -1.26 -4.66 135.00 136.54 1x5k s PRO 21 Ca 0.01 0.65 -0.21 0.00 0.04 0.00 0.00 61.00 61.50 1x5k s PRO 21 Cb -0.06 -1.77 0.30 0.00 0.04 0.00 0.00 34.50 33.02 1x5k s PRO 21 CO -0.00 -2.51 1.11 -1.25 0.04 0.00 0.00 177.00 174.39 1x5k s PRO 22 N -4.95 -1.54 0.35 0.56 0.04 -1.26 -4.36 135.00 123.83 1x5k s PRO 22 Ca 0.64 -0.18 0.04 0.00 0.04 0.00 0.00 61.00 61.54 1x5k s PRO 22 Cb -0.18 -1.57 -0.01 0.00 0.04 0.00 0.00 34.50 32.77 1x5k s PRO 22 CO 0.57 -3.90 0.38 1.63 0.04 0.00 0.00 177.00 175.72 1x5k n LYS 23 N -4.87 0.55 -4.09 4.56 5.02 -0.22 -4.90 118.16 114.22 1x5k n LYS 23 Ca 0.15 -3.19 -0.32 0.00 -2.02 0.00 0.00 58.31 52.93 1x5k n LYS 23 Cb 0.60 2.79 -0.02 0.00 -0.02 0.00 0.00 35.03 38.39 1x5k n LYS 23 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1x5k n ASP 24 N -1.64 -2.51 -4.65 4.39 2.03 -1.26 0.41 116.55 113.33 1x5k n ASP 24 Ca 0.05 -0.97 -0.43 0.00 0.52 0.00 0.00 54.79 53.96 1x5k n ASP 24 Cb 0.61 -3.03 -0.02 0.00 -0.72 0.00 0.00 41.12 37.96 1x5k n ASP 24 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1x5k s VAL 25 N -3.52 4.06 0.00 5.18 1.01 -1.26 -3.69 120.40 122.18 1x5k s VAL 25 Ca 0.48 1.25 0.00 0.00 0.00 0.00 0.00 61.98 63.71 1x5k s VAL 25 Cb -0.26 -3.92 -0.00 0.00 0.00 0.00 0.00 36.38 32.20 1x5k s VAL 25 CO 0.90 -0.23 -0.02 0.42 0.00 0.00 0.00 175.10 176.17 1x5k s THR 26 N 4.05 0.11 -0.17 3.92 -4.23 -0.58 -5.02 115.64 113.73 1x5k s THR 26 Ca 0.60 -0.21 -0.01 0.00 -1.18 0.00 0.00 61.69 60.89 1x5k s THR 26 Cb -0.22 -0.13 0.05 0.00 1.34 0.00 0.00 72.50 73.53 1x5k s THR 26 CO 0.21 -0.07 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.51 1x5k s VAL 27 N -0.29 0.92 0.32 2.29 1.01 -1.26 -1.15 120.40 122.24 1x5k s VAL 27 Ca -0.02 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 61.45 1x5k s VAL 27 Cb -0.02 -1.18 -0.06 0.00 0.00 0.00 0.00 36.38 35.11 1x5k s VAL 27 CO -0.00 0.04 -0.06 0.68 0.00 0.00 0.00 175.10 175.75 1x5k s VAL 28 N 1.71 1.92 0.34 2.92 -7.23 -0.14 -4.99 120.40 114.91 1x5k s VAL 28 Ca 0.00 -2.14 -0.01 0.00 -1.81 0.00 0.00 61.98 58.02 1x5k s VAL 28 Cb -0.16 -2.60 -0.04 0.00 0.56 0.00 0.00 36.38 34.14 1x5k s VAL 28 CO -0.07 -0.21 0.56 -0.94 -0.31 0.00 0.00 175.10 174.12 1x5k s SER 29 N -3.54 6.33 0.04 4.85 1.04 -1.26 -0.35 113.70 120.81 1x5k s SER 29 Ca 0.32 0.55 -0.19 0.00 0.48 0.00 0.00 55.95 57.11 1x5k s SER 29 Cb 0.04 -2.07 -0.06 0.00 0.10 0.00 0.00 66.02 64.02 1x5k s SER 29 CO 0.15 -0.28 0.54 -0.75 0.98 0.00 0.00 173.24 173.87 1x5k s LYS 30 N -4.13 4.17 -0.31 4.02 2.20 -1.05 -4.73 119.74 119.90 1x5k s LYS 30 Ca 0.41 0.67 -0.29 0.00 -0.36 0.00 0.00 55.97 56.40 1x5k s LYS 30 Cb -0.10 -3.26 0.00 0.00 -1.51 0.00 0.00 37.83 32.97 1x5k s LYS 30 CO 0.35 0.60 1.33 -2.00 -0.36 0.00 0.00 175.35 175.26 1x5k s GLU 31 N -0.92 3.86 0.00 4.03 2.12 -1.26 -3.40 118.70 123.13 1x5k s GLU 31 Ca 0.28 1.21 0.00 0.00 0.36 0.00 0.00 54.97 56.82 1x5k s GLU 31 Cb -0.19 -3.91 0.00 0.00 0.26 0.00 0.00 34.13 30.30 1x5k s GLU 31 CO 0.17 -1.19 0.00 0.41 -0.54 0.00 0.00 175.26 174.11 1x5k n GLY 32 N 4.44 3.23 3.04 -1.50 0.00 -1.26 -5.03 105.19 108.12 1x5k n GLY 32 Ca 0.15 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.85 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 2.40 -0.02 1.61 2.36 -1.22 -5.03 119.74 119.84 1x5k s LYS 33 Ca 0.00 -0.79 -0.25 0.00 -2.55 0.00 0.00 55.97 52.38 1x5k s LYS 33 Cb 0.00 -2.40 -0.19 0.00 -1.05 0.00 0.00 37.83 34.20 1x5k s LYS 33 CO 0.00 -0.32 1.18 -1.00 1.55 0.00 0.00 175.35 176.77 1x5k h PRO 34 N 7.97 -0.12 -0.34 4.03 0.13 -1.89 -3.07 132.00 138.72 1x5k h PRO 34 Ca -0.35 0.01 0.10 0.00 -0.87 0.00 0.00 66.00 64.88 1x5k h PRO 34 Cb 1.12 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1x5k h PRO 34 CO 0.54 0.32 0.64 0.87 -0.23 0.00 0.00 178.00 180.13 1x5k h LYS 35 N -0.61 0.00 -6.03 0.86 1.57 -1.93 -3.39 116.57 107.03 1x5k h LYS 35 Ca -0.01 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.16 1x5k h LYS 35 Cb 0.50 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.75 1x5k h LYS 35 CO 0.02 0.00 -0.21 0.99 -0.57 0.00 0.00 179.45 179.68 1x5k s THR 36 N -4.33 5.05 0.06 -0.16 2.01 -1.16 -3.48 115.64 113.63 1x5k s THR 36 Ca -0.03 0.75 -0.06 0.00 0.31 0.00 0.00 61.69 62.66 1x5k s THR 36 Cb 0.11 -3.69 -0.01 0.00 0.01 0.00 0.00 72.50 68.91 1x5k s THR 36 CO 0.36 0.52 0.10 0.27 -0.69 0.00 0.00 174.62 175.19 1x5k s ILE 37 N -1.15 0.15 -0.06 1.82 -4.36 -0.20 -2.53 121.20 114.87 1x5k s ILE 37 Ca 0.26 -1.27 0.05 0.00 -0.26 0.00 0.00 60.65 59.43 1x5k s ILE 37 Cb -0.16 -1.17 -0.01 0.00 1.25 0.00 0.00 42.46 42.36 1x5k s ILE 37 CO 0.14 -0.70 -0.23 -0.63 0.24 0.00 0.00 174.94 173.76 1x5k s ILE 38 N -3.29 2.24 -0.25 8.37 1.09 0.52 -1.95 121.20 127.93 1x5k s ILE 38 Ca 0.01 -1.00 0.01 0.00 -1.10 0.00 0.00 60.65 58.58 1x5k s ILE 38 Cb 0.03 -1.83 0.06 0.00 -1.06 0.00 0.00 42.46 39.66 1x5k s ILE 38 CO -0.08 0.57 -0.05 -0.69 -0.10 0.00 0.00 174.94 174.59 1x5k s VAL 39 N -0.16 1.72 0.21 2.92 1.01 -0.94 -0.97 120.40 124.18 1x5k s VAL 39 Ca -0.03 -1.42 0.03 0.00 0.00 0.00 0.00 61.98 60.56 1x5k s VAL 39 Cb -0.14 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 1x5k s VAL 39 CO 0.04 -0.15 0.34 0.20 0.00 0.00 0.00 175.10 175.53 1x5k s ASN 40 N 1.29 6.33 0.37 3.32 0.01 -0.30 -2.27 114.94 123.69 1x5k s ASN 40 Ca -0.05 0.16 -0.16 0.00 -0.71 0.00 0.00 52.86 52.10 1x5k s ASN 40 Cb -0.19 -1.90 0.06 0.00 0.41 0.00 0.00 41.25 39.63 1x5k s ASN 40 CO -0.07 -0.03 0.83 -1.66 -1.51 0.00 0.00 177.10 174.66 1x5k s TRP 41 N -1.90 0.14 0.03 2.20 -2.14 -0.39 -1.52 118.94 115.36 1x5k s TRP 41 Ca 0.35 -0.80 0.00 0.00 2.66 0.00 0.00 56.10 58.31 1x5k s TRP 41 Cb -0.10 0.83 -0.03 0.00 -3.10 0.00 0.00 33.47 31.08 1x5k s TRP 41 CO 0.29 -1.51 -0.04 -0.65 -2.66 0.00 0.00 176.95 172.38 1x5k s GLN 42 N -2.14 0.44 0.56 3.25 -1.52 0.16 -4.82 119.66 115.59 1x5k s GLN 42 Ca 0.17 -0.81 -0.19 0.00 -1.95 0.00 0.00 55.36 52.59 1x5k s GLN 42 Cb -0.05 0.05 -0.05 0.00 -0.22 0.00 0.00 33.01 32.74 1x5k s GLN 42 CO 0.11 -0.05 1.13 -1.25 -0.25 0.00 0.00 175.29 174.98 1x5k s PRO 43 N -2.15 3.26 0.40 2.91 0.04 -1.26 -1.06 135.00 137.15 1x5k s PRO 43 Ca -0.08 1.57 -0.25 0.00 0.04 0.00 0.00 61.00 62.27 1x5k s PRO 43 Cb -0.05 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 32.41 1x5k s PRO 43 CO -0.03 -0.92 1.19 -1.25 0.04 0.00 0.00 177.00 176.03 1x5k s PRO 44 N -3.43 4.03 0.57 0.56 0.04 -1.26 -4.63 135.00 130.87 1x5k s PRO 44 Ca 0.72 1.89 0.32 0.00 0.04 0.00 0.00 61.00 63.96 1x5k s PRO 44 Cb -0.23 -2.68 1.75 0.00 0.04 0.00 0.00 34.50 33.38 1x5k s PRO 44 CO 0.30 -0.35 2.18 0.77 0.04 0.00 0.00 177.00 179.93 1x5k h SER 45 N 2.63 0.00 -3.08 6.66 0.02 -1.95 -3.25 113.55 114.58 1x5k h SER 45 Ca -0.49 0.00 -0.78 0.00 -0.84 0.00 0.00 61.79 59.68 1x5k h SER 45 Cb 1.24 0.00 -0.30 0.00 0.14 0.00 0.00 62.40 63.48 1x5k h SER 45 CO 0.62 0.05 0.51 -0.62 -1.14 0.00 0.00 176.83 176.26 1x5k n GLU 46 N -3.56 3.91 -2.81 3.45 -0.58 -1.26 -4.90 120.64 114.89 1x5k n GLU 46 Ca -0.02 -4.53 -0.42 0.00 -0.42 0.00 0.00 57.16 51.77 1x5k n GLU 46 Cb 0.16 -2.49 0.01 0.00 -0.57 0.00 0.00 31.44 28.55 1x5k n GLU 46 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1x5k n ALA 47 N 1.76 5.67 -0.46 0.62 0.00 -1.23 -4.53 120.51 122.33 1x5k n ALA 47 Ca 0.25 -4.70 0.38 0.00 0.00 0.00 0.00 53.44 49.38 1x5k n ALA 47 Cb 0.36 -2.24 0.64 0.00 0.00 0.00 0.00 19.45 18.21 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 0.54 0.19 -3.04 0.00 3.02 -1.26 -4.46 115.26 110.25 1x5k n ASN 48 Ca 0.38 1.28 -0.11 0.00 -0.03 0.00 0.00 54.58 56.10 1x5k n ASN 48 Cb 0.29 -0.63 -0.01 0.00 -0.61 0.00 0.00 39.78 38.82 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 -1.51 3.34 3.81 7.41 0.00 -1.21 -4.67 105.19 112.37 1x5k n GLY 49 Ca 0.38 -2.24 -0.38 0.00 0.00 0.00 0.00 46.02 43.78 1x5k n GLY 49 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x5k s LYS 50 N -2.78 3.98 0.22 1.61 2.20 -1.26 -5.00 119.74 118.70 1x5k s LYS 50 Ca 0.07 0.36 -0.30 0.00 -0.36 0.00 0.00 55.97 55.74 1x5k s LYS 50 Cb -0.01 -3.27 -0.08 0.00 -1.51 0.00 0.00 37.83 32.97 1x5k s LYS 50 CO 0.04 0.59 0.96 0.42 -0.36 0.00 0.00 175.35 177.01 1x5k s ILE 51 N -0.72 4.09 0.00 5.43 -1.09 -1.26 -4.48 121.20 123.17 1x5k s ILE 51 Ca 0.23 2.01 0.00 0.00 -2.23 0.00 0.00 60.65 60.66 1x5k s ILE 51 Cb -0.16 -4.28 0.00 0.00 -1.58 0.00 0.00 42.46 36.44 1x5k s ILE 51 CO 0.12 0.44 0.00 0.35 -1.23 0.00 0.00 174.94 174.62 1x5k n THR 52 N 1.75 0.00 -3.64 2.92 -2.24 -1.20 -4.97 114.28 106.90 1x5k n THR 52 Ca -0.01 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.73 1x5k n THR 52 Cb 0.47 -0.56 0.02 0.00 -2.10 0.00 0.00 70.33 68.16 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 3.01 1.08 3.20 3.38 0.00 -1.12 -3.54 105.19 111.20 1x5k n GLY 53 Ca 0.00 -1.14 -0.12 0.00 0.00 0.00 0.00 46.02 44.76 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 -3.83 1.12 -0.01 1.61 1.51 -1.20 -2.67 117.35 113.89 1x5k s TYR 54 Ca 0.13 -1.36 0.00 0.00 -1.01 0.00 0.00 57.07 54.84 1x5k s TYR 54 Cb -0.03 -0.54 0.01 0.00 -0.11 0.00 0.00 41.96 41.29 1x5k s TYR 54 CO 0.06 -0.64 -0.01 0.42 -1.11 0.00 0.00 175.55 174.28 1x5k s ILE 55 N -4.15 0.13 -0.09 2.71 1.01 -0.87 -0.55 121.20 119.38 1x5k s ILE 55 Ca 0.38 0.00 0.03 0.00 0.00 0.00 0.00 60.65 61.06 1x5k s ILE 55 Cb 0.07 -0.16 -0.01 0.00 0.01 0.00 0.00 42.46 42.37 1x5k s ILE 55 CO 0.11 0.07 -0.20 -0.63 0.00 0.00 0.00 174.94 174.30 1x5k s ILE 56 N 0.37 2.47 -0.17 2.92 1.01 -0.52 -2.31 121.20 124.97 1x5k s ILE 56 Ca -0.03 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 59.73 1x5k s ILE 56 Cb -0.06 -1.97 0.01 0.00 0.01 0.00 0.00 42.46 40.46 1x5k s ILE 56 CO -0.01 0.56 -0.18 -0.31 0.00 0.00 0.00 174.94 175.00 1x5k s TYR 57 N 0.09 2.78 -0.01 3.97 1.51 -0.42 -0.29 117.35 124.98 1x5k s TYR 57 Ca -0.09 -1.44 0.02 0.00 -1.01 0.00 0.00 57.07 54.54 1x5k s TYR 57 Cb -0.15 -1.92 0.00 0.00 -0.11 0.00 0.00 41.96 39.78 1x5k s TYR 57 CO 0.06 -0.71 -0.05 1.52 -1.11 0.00 0.00 175.55 175.26 1x5k s TYR 58 N 1.17 0.54 -0.00 2.71 -0.85 -1.24 0.06 117.35 119.72 1x5k s TYR 58 Ca 0.02 -0.11 -0.24 0.00 -0.52 0.00 0.00 57.07 56.22 1x5k s TYR 58 Cb -0.14 -0.39 0.05 0.00 0.38 0.00 0.00 41.96 41.86 1x5k s TYR 58 CO -0.08 -0.05 0.53 0.45 -1.52 0.00 0.00 175.55 174.88 1x5k s SER 59 N 0.12 -0.46 0.49 -0.18 0.15 -1.00 -3.29 113.70 109.54 1x5k s SER 59 Ca -0.01 0.35 0.17 0.00 0.70 0.00 0.00 55.95 57.16 1x5k s SER 59 Cb -0.05 0.47 1.21 0.00 -1.71 0.00 0.00 66.02 65.93 1x5k s SER 59 CO -0.00 -0.62 2.08 0.71 1.20 0.00 0.00 173.24 176.61 1x5k h THR 60 N 3.11 0.98 -3.24 6.45 1.35 -1.91 -3.22 112.91 116.43 1x5k h THR 60 Ca -0.29 -0.35 -0.55 0.00 -0.55 0.00 0.00 66.41 64.67 1x5k h THR 60 Cb 1.18 1.19 -0.03 0.00 -1.73 0.00 0.00 68.15 68.76 1x5k h THR 60 CO 0.40 0.10 -0.21 -1.81 -0.25 0.00 0.00 175.52 173.75 1x5k s ASP 61 N -6.88 6.52 -0.02 5.36 1.01 -1.26 -4.79 116.67 116.61 1x5k s ASP 61 Ca -0.04 0.71 0.12 0.00 0.71 0.00 0.00 52.55 54.05 1x5k s ASP 61 Cb 0.16 -2.14 -0.18 0.00 1.01 0.00 0.00 42.92 41.77 1x5k s ASP 61 CO 0.66 -0.05 0.25 0.55 0.21 0.00 0.00 175.17 176.79 1x5k n VAL 62 N -0.25 0.03 0.49 -1.27 3.14 -1.26 -4.50 118.33 114.70 1x5k n VAL 62 Ca -0.01 -0.27 0.11 0.00 -2.96 0.00 0.00 64.34 61.20 1x5k n VAL 62 Cb 0.53 0.20 -0.12 0.00 -1.06 0.00 0.00 33.84 33.38 1x5k n VAL 62 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 1x5k n ASN 63 N -1.92 0.51 -4.71 6.55 0.23 -1.26 -4.97 115.26 109.68 1x5k n ASN 63 Ca -0.03 -0.45 -0.41 0.00 -0.53 0.00 0.00 54.58 53.17 1x5k n ASN 63 Cb 0.33 1.42 0.01 0.00 -2.08 0.00 0.00 39.78 39.46 1x5k n ASN 63 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1x5k n ALA 64 N -1.88 1.42 -1.78 -2.53 0.00 -1.26 -4.90 120.51 109.58 1x5k n ALA 64 Ca 0.00 0.26 -0.41 0.00 0.00 0.00 0.00 53.44 53.29 1x5k n ALA 64 Cb 0.45 -2.29 -0.01 0.00 0.00 0.00 0.00 19.45 17.60 1x5k n ALA 64 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1x5k s GLU 65 N -2.24 4.14 0.58 0.00 8.01 -1.26 -4.82 118.70 123.12 1x5k s GLU 65 Ca 0.61 2.54 0.37 0.00 0.01 0.00 0.00 54.97 58.49 1x5k s GLU 65 Cb -0.50 -3.02 1.33 0.00 -4.31 0.00 0.00 34.13 27.63 1x5k s GLU 65 CO 0.58 -0.58 1.51 0.97 0.01 0.00 0.00 175.26 177.75 1x5k h ILE 66 N 3.32 0.08 -0.52 -1.63 6.09 -1.94 0.46 117.51 123.36 1x5k h ILE 66 Ca -0.48 0.00 0.08 0.00 -1.37 0.00 0.00 64.86 63.09 1x5k h ILE 66 Cb 1.22 0.10 -0.06 0.00 0.47 0.00 0.00 36.82 38.55 1x5k h ILE 66 CO 0.76 0.00 0.17 0.45 -3.07 0.00 0.00 178.15 176.46 1x5k h HIS 67 N 0.00 0.29 -0.21 2.19 3.86 -2.01 -1.29 115.15 117.98 1x5k h HIS 67 Ca 0.64 0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 59.77 1x5k h HIS 67 Cb 3.02 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 31.42 1x5k h HIS 67 CO 0.00 0.07 -0.33 0.22 0.86 0.00 0.00 177.93 178.76 1x5k h ASP 68 N 0.34 0.45 -2.25 2.45 1.82 -0.42 -3.44 116.42 115.37 1x5k h ASP 68 Ca 0.26 -0.17 -0.58 0.00 -0.39 0.00 0.00 57.03 56.14 1x5k h ASP 68 Cb 0.30 -0.12 0.05 0.00 0.68 0.00 0.00 39.33 40.23 1x5k h ASP 68 CO -0.28 0.76 0.92 0.79 -1.61 0.00 0.00 179.24 179.82 1x5k n TRP 69 N -4.08 2.35 -1.43 0.28 7.02 -0.49 -4.92 117.44 116.17 1x5k n TRP 69 Ca -0.01 0.14 -0.35 0.00 -1.02 0.00 0.00 57.50 56.26 1x5k n TRP 69 Cb 0.45 -2.60 0.10 0.00 -2.42 0.00 0.00 31.31 26.84 1x5k n TRP 69 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 1x5k s VAL 70 N 1.96 2.06 -0.31 -0.99 0.11 -1.21 -4.86 120.40 117.17 1x5k s VAL 70 Ca 0.83 0.03 -0.06 0.00 -2.93 0.00 0.00 61.98 59.85 1x5k s VAL 70 Cb -0.65 -2.72 0.03 0.00 -1.53 0.00 0.00 36.38 31.51 1x5k s VAL 70 CO 0.41 -0.01 0.07 -0.63 -3.33 0.00 0.00 175.10 171.61 1x5k s ILE 71 N -1.78 3.70 -0.86 7.04 1.01 -1.26 -3.70 121.20 125.35 1x5k s ILE 71 Ca 0.78 -0.99 -0.06 0.00 0.00 0.00 0.00 60.65 60.38 1x5k s ILE 71 Cb -0.33 -3.02 0.22 0.00 0.01 0.00 0.00 42.46 39.34 1x5k s ILE 71 CO 0.45 -0.05 0.76 -1.61 0.00 0.00 0.00 174.94 174.49 1x5k s GLU 72 N 1.42 3.34 0.18 2.79 0.41 0.60 -4.95 118.70 122.48 1x5k s GLU 72 Ca -0.00 -2.94 -0.30 0.00 -0.41 0.00 0.00 54.97 51.31 1x5k s GLU 72 Cb -0.18 -4.10 -0.08 0.00 -1.78 0.00 0.00 34.13 27.98 1x5k s GLU 72 CO 0.02 -1.24 1.32 -1.25 -0.49 0.00 0.00 175.26 173.61 1x5k s PRO 73 N -0.75 4.38 0.12 0.39 0.04 -1.26 -1.44 135.00 136.48 1x5k s PRO 73 Ca 0.24 2.04 0.08 0.00 0.04 0.00 0.00 61.00 63.40 1x5k s PRO 73 Cb -0.11 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.17 1x5k s PRO 73 CO -0.09 -0.28 -0.13 0.08 0.04 0.00 0.00 177.00 176.62 1x5k s VAL 74 N 0.33 3.15 0.32 -0.36 1.01 0.29 -4.99 120.40 120.15 1x5k s VAL 74 Ca 0.58 -1.40 0.01 0.00 0.00 0.00 0.00 61.98 61.17 1x5k s VAL 74 Cb -0.36 -2.47 -0.00 0.00 0.00 0.00 0.00 36.38 33.55 1x5k s VAL 74 CO 0.36 0.09 0.02 1.33 0.00 0.00 0.00 175.10 176.90 1x5k n VAL 75 N 0.68 0.00 -3.75 2.92 0.24 -1.26 -3.21 118.33 113.95 1x5k n VAL 75 Ca -0.14 -1.58 -0.26 0.00 -2.04 0.00 0.00 64.34 60.32 1x5k n VAL 75 Cb 0.53 0.38 0.05 0.00 -1.47 0.00 0.00 33.84 33.33 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 0.82 -0.49 2.40 7.63 0.00 -1.26 -1.81 105.19 112.48 1x5k n GLY 76 Ca -0.11 0.21 -0.04 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.94 -0.92 -4.74 1.61 0.23 -1.23 -4.79 115.26 102.47 1x5k n ASN 77 Ca -0.02 0.26 -0.41 0.00 -0.53 0.00 0.00 54.58 53.87 1x5k n ASN 77 Cb 0.56 -0.90 -0.02 0.00 -2.08 0.00 0.00 39.78 37.34 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 -4.46 4.26 0.00 -3.83 6.06 -0.75 -4.91 118.95 115.32 1x5k s ARG 78 Ca 0.08 2.32 0.23 0.00 -2.50 0.00 0.00 55.73 55.85 1x5k s ARG 78 Cb -0.05 -3.11 0.30 0.00 0.06 0.00 0.00 34.95 32.16 1x5k s ARG 78 CO 0.10 -0.44 1.31 1.28 -2.50 0.00 0.00 175.30 175.05 1x5k n LEU 79 N 2.36 3.19 -3.98 -0.88 4.77 -1.26 -4.73 117.00 116.47 1x5k n LEU 79 Ca 0.07 -1.27 -0.12 0.00 -0.03 0.00 0.00 56.01 54.67 1x5k n LEU 79 Cb 0.40 -0.13 -0.12 0.00 -2.33 0.00 0.00 43.42 41.24 1x5k n LEU 79 CO 0.61 0.62 -0.38 0.28 -1.33 0.00 0.00 177.39 177.19 1x5k s THR 80 N -1.68 0.24 -0.02 -5.08 -1.32 -1.26 -1.27 115.64 105.26 1x5k s THR 80 Ca 0.33 -0.69 0.03 0.00 -1.21 0.00 0.00 61.69 60.14 1x5k s THR 80 Cb 0.21 -0.32 0.00 0.00 -1.51 0.00 0.00 72.50 70.88 1x5k s THR 80 CO 0.30 -0.29 -0.09 -2.28 -2.21 0.00 0.00 174.62 170.04 1x5k s HIS 81 N -0.99 0.95 -0.47 9.09 2.46 -0.96 -4.98 115.29 120.39 1x5k s HIS 81 Ca -0.09 -0.22 -0.11 0.00 0.47 0.00 0.00 55.06 55.10 1x5k s HIS 81 Cb -0.07 -0.66 0.11 0.00 -0.13 0.00 0.00 32.58 31.82 1x5k s HIS 81 CO -0.00 -0.08 0.36 -0.65 -2.47 0.00 0.00 174.74 171.90 1x5k s GLN 82 N 0.09 2.67 0.01 2.88 -0.21 -1.26 -2.22 119.66 121.62 1x5k s GLN 82 Ca -0.01 -1.64 -0.09 0.00 0.02 0.00 0.00 55.36 53.64 1x5k s GLN 82 Cb -0.07 -4.00 -0.05 0.00 1.00 0.00 0.00 33.01 29.89 1x5k s GLN 82 CO 0.00 -1.15 0.31 0.42 -2.12 0.00 0.00 175.29 172.75 1x5k s ILE 83 N 1.46 5.23 0.31 1.08 1.01 -0.82 -4.94 121.20 124.52 1x5k s ILE 83 Ca 0.04 0.36 0.06 0.00 0.00 0.00 0.00 60.65 61.11 1x5k s ILE 83 Cb -0.26 -3.59 -0.02 0.00 0.01 0.00 0.00 42.46 38.59 1x5k s ILE 83 CO 0.02 0.41 0.23 0.00 0.00 0.00 0.00 174.94 175.60 1x5k n GLN 84 N 1.28 0.42 -3.30 2.79 -0.00 -1.26 -1.04 117.38 116.27 1x5k n GLN 84 Ca -0.12 -3.04 -0.16 0.00 -0.00 0.00 0.00 57.00 53.68 1x5k n GLN 84 Cb 0.53 2.32 0.08 0.00 -0.00 0.00 0.00 30.24 33.16 1x5k n GLN 84 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1x5k n GLU 85 N -0.63 -6.06 -4.16 2.61 1.02 -1.25 -4.95 120.64 107.22 1x5k n GLU 85 Ca 0.05 0.74 -0.24 0.00 -0.02 0.00 0.00 57.16 57.69 1x5k n GLU 85 Cb 0.55 -5.45 -0.07 0.00 -0.02 0.00 0.00 31.44 26.45 1x5k n GLU 85 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1x5k s LEU 86 N -5.97 3.17 0.34 -4.62 1.43 -1.23 -5.10 118.68 106.70 1x5k s LEU 86 Ca 0.11 -0.87 -0.15 0.00 -1.03 0.00 0.00 54.13 52.20 1x5k s LEU 86 Cb -0.05 -1.60 -0.09 0.00 0.03 0.00 0.00 46.19 44.48 1x5k s LEU 86 CO 0.64 -0.32 0.75 -0.89 0.23 0.00 0.00 176.35 176.76 1x5k s THR 87 N -2.47 4.68 0.48 5.49 2.01 -1.26 -4.72 115.64 119.85 1x5k s THR 87 Ca 0.37 0.93 0.08 0.00 0.31 0.00 0.00 61.69 63.39 1x5k s THR 87 Cb -0.01 -3.62 0.04 0.00 0.01 0.00 0.00 72.50 68.91 1x5k s THR 87 CO 0.22 -0.23 0.66 -0.76 -0.69 0.00 0.00 174.62 173.81 1x5k s LEU 88 N -3.10 3.45 -0.73 4.42 1.43 -1.26 -4.43 118.68 118.46 1x5k s LEU 88 Ca 0.54 -0.53 -0.04 0.00 -1.03 0.00 0.00 54.13 53.07 1x5k s LEU 88 Cb -0.10 -2.34 0.04 0.00 0.03 0.00 0.00 46.19 43.82 1x5k s LEU 88 CO 0.19 -0.99 0.16 -0.67 0.23 0.00 0.00 176.35 175.28 1x5k n ASP 89 N -2.02 -2.36 -3.70 2.29 2.03 -1.19 -4.89 116.55 106.70 1x5k n ASP 89 Ca 0.11 0.05 -0.17 0.00 0.52 0.00 0.00 54.79 55.30 1x5k n ASP 89 Cb 0.60 -2.06 -0.17 0.00 -0.72 0.00 0.00 41.12 38.77 1x5k n ASP 89 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1x5k s THR 90 N -2.48 -0.12 -0.25 5.18 2.01 -1.26 -4.95 115.64 113.78 1x5k s THR 90 Ca 0.17 0.33 -0.29 0.00 0.31 0.00 0.00 61.69 62.22 1x5k s THR 90 Cb -0.10 -0.17 -0.02 0.00 0.01 0.00 0.00 72.50 72.22 1x5k s THR 90 CO 0.21 0.14 1.63 -2.16 -0.69 0.00 0.00 174.62 173.75 1x5k s PRO 91 N 1.79 3.71 -0.09 4.92 0.04 -1.26 -3.04 135.00 141.06 1x5k s PRO 91 Ca -0.01 1.58 -0.03 0.00 0.04 0.00 0.00 61.00 62.58 1x5k s PRO 91 Cb -0.12 -4.06 -0.03 0.00 0.04 0.00 0.00 34.50 30.32 1x5k s PRO 91 CO -0.04 -1.40 0.03 0.71 0.04 0.00 0.00 177.00 176.34 1x5k s TYR 92 N 5.49 3.25 -0.22 0.56 1.51 -0.93 -4.92 117.35 122.08 1x5k s TYR 92 Ca 0.72 0.26 -0.08 0.00 -1.01 0.00 0.00 57.07 56.96 1x5k s TYR 92 Cb -0.24 -1.82 -0.04 0.00 -0.11 0.00 0.00 41.96 39.76 1x5k s TYR 92 CO 0.30 0.52 0.09 0.71 -1.11 0.00 0.00 175.55 176.06 1x5k s TYR 93 N -0.91 3.20 0.42 2.71 1.51 -1.22 -2.13 117.35 120.93 1x5k s TYR 93 Ca 0.14 -0.05 0.07 0.00 -1.01 0.00 0.00 57.07 56.22 1x5k s TYR 93 Cb -0.11 -2.18 -0.04 0.00 -0.11 0.00 0.00 41.96 39.52 1x5k s TYR 93 CO 0.03 -0.04 0.24 -0.06 -1.11 0.00 0.00 175.55 174.61 1x5k s PHE 94 N 0.96 2.60 -0.16 2.71 0.40 -0.66 -2.37 117.98 121.47 1x5k s PHE 94 Ca 0.05 -0.57 -0.16 0.00 -0.60 0.00 0.00 56.93 55.64 1x5k s PHE 94 Cb -0.14 -2.02 0.04 0.00 0.51 0.00 0.00 43.02 41.42 1x5k s PHE 94 CO 0.03 0.08 0.46 0.15 0.70 0.00 0.00 175.22 176.64 1x5k s LYS 95 N -3.98 0.55 0.13 0.44 1.02 0.11 -0.73 119.74 117.28 1x5k s LYS 95 Ca 0.43 0.60 0.10 0.00 0.02 0.00 0.00 55.97 57.12 1x5k s LYS 95 Cb 0.02 0.27 -0.04 0.00 -0.52 0.00 0.00 37.83 37.55 1x5k s LYS 95 CO 0.24 -0.07 -0.23 0.42 -0.92 0.00 0.00 175.35 174.78 1x5k s ILE 96 N 0.15 2.49 -0.06 2.17 1.01 -1.26 -1.30 121.20 124.40 1x5k s ILE 96 Ca -0.01 -1.67 -0.30 0.00 0.00 0.00 0.00 60.65 58.67 1x5k s ILE 96 Cb -0.03 -2.12 0.07 0.00 0.01 0.00 0.00 42.46 40.38 1x5k s ILE 96 CO 0.01 0.08 0.67 -1.58 0.00 0.00 0.00 174.94 174.12 1x5k s GLN 97 N -2.12 1.03 0.04 2.79 0.74 -0.98 -2.93 119.66 118.23 1x5k s GLN 97 Ca 0.16 0.29 0.04 0.00 0.05 0.00 0.00 55.36 55.90 1x5k s GLN 97 Cb -0.10 0.49 -0.04 0.00 1.10 0.00 0.00 33.01 34.46 1x5k s GLN 97 CO 0.08 -0.31 -0.05 0.00 -0.55 0.00 0.00 175.29 174.45 1x5k s ALA 98 N -1.10 3.09 0.01 1.58 0.00 -1.26 -2.05 121.76 122.02 1x5k s ALA 98 Ca -0.10 -1.07 -0.16 0.00 0.00 0.00 0.00 51.96 50.62 1x5k s ALA 98 Cb -0.00 -1.13 0.03 0.00 0.00 0.00 0.00 23.12 22.02 1x5k s ALA 98 CO 0.09 0.64 0.35 -0.98 0.00 0.00 0.00 175.76 175.86 1x5k s ARG 99 N -1.76 0.77 0.40 0.00 1.70 -1.09 -1.93 118.95 117.04 1x5k s ARG 99 Ca 0.20 -0.26 0.04 0.00 -0.47 0.00 0.00 55.73 55.24 1x5k s ARG 99 Cb -0.11 0.34 -0.05 0.00 -0.57 0.00 0.00 34.95 34.56 1x5k s ARG 99 CO 0.11 -0.23 0.05 0.54 -1.08 0.00 0.00 175.30 174.69 1x5k s ASN 100 N -1.60 3.20 0.35 -2.89 2.20 -0.03 -2.81 114.94 113.36 1x5k s ASN 100 Ca -0.10 -1.48 0.25 0.00 -0.94 0.00 0.00 52.86 50.59 1x5k s ASN 100 Cb -0.03 0.04 1.20 0.00 -2.00 0.00 0.00 41.25 40.46 1x5k s ASN 100 CO 0.02 -0.67 1.28 -1.20 -2.94 0.00 0.00 177.10 173.59 1x5k n SER 101 N -0.98 0.19 0.00 3.54 7.64 -1.26 -1.21 113.62 121.53 1x5k n SER 101 Ca -0.07 1.16 0.00 0.00 1.01 0.00 0.00 58.87 60.98 1x5k n SER 101 Cb 0.66 -0.57 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1x5k n SER 101 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1x5k n LYS 102 N -4.40 0.00 -0.60 1.43 4.76 -1.26 -5.05 118.16 113.04 1x5k n LYS 102 Ca 0.33 0.28 0.00 0.00 -2.87 0.00 0.00 58.31 56.05 1x5k n LYS 102 Cb 1.25 -1.14 0.00 0.00 -1.84 0.00 0.00 35.03 33.30 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 0.07 2.19 3.96 0.72 0.00 -0.35 -5.11 105.19 106.66 1x5k n GLY 103 Ca 0.00 -0.86 -0.21 0.00 0.00 0.00 0.00 46.02 44.95 1x5k n GLY 103 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x5k s MET 104 N -0.55 3.37 0.00 1.61 -1.94 -1.26 -0.85 119.30 119.67 1x5k s MET 104 Ca 0.00 -0.81 0.00 0.00 -1.71 0.00 0.00 55.69 53.17 1x5k s MET 104 Cb 0.00 -2.85 0.00 0.00 2.01 0.00 0.00 34.83 33.99 1x5k s MET 104 CO 0.00 0.40 0.00 0.41 -0.01 0.00 0.00 175.02 175.82 1x5k n GLY 105 N -1.40 3.50 3.77 -0.03 0.00 -0.81 -4.83 105.19 105.39 1x5k n GLY 105 Ca -0.08 -1.98 -0.34 0.00 0.00 0.00 0.00 46.02 43.62 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 2.72 3.14 0.31 1.61 0.04 -1.25 -4.91 135.00 136.65 1x5k s PRO 106 Ca 0.00 1.52 -0.06 0.00 0.04 0.00 0.00 61.00 62.50 1x5k s PRO 106 Cb 0.00 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 1x5k s PRO 106 CO 0.00 -1.00 0.59 -1.64 0.04 0.00 0.00 177.00 174.99 1x5k s MET 107 N -3.61 3.66 0.68 4.56 -1.94 -1.26 -4.51 119.30 116.88 1x5k s MET 107 Ca 0.70 0.09 0.02 0.00 -1.71 0.00 0.00 55.69 54.79 1x5k s MET 107 Cb -0.22 -2.60 0.11 0.00 2.01 0.00 0.00 34.83 34.13 1x5k s MET 107 CO 0.33 0.17 0.94 0.45 -0.01 0.00 0.00 175.02 176.90 1x5k s SER 108 N -3.15 4.56 0.61 3.03 0.15 -1.15 -4.90 113.70 112.85 1x5k s SER 108 Ca 0.45 -0.45 -0.16 0.00 0.70 0.00 0.00 55.95 56.49 1x5k s SER 108 Cb -0.11 0.01 -0.03 0.00 -1.71 0.00 0.00 66.02 64.18 1x5k s SER 108 CO 0.30 -1.71 1.09 -1.61 1.20 0.00 0.00 173.24 172.50 1x5k s GLU 109 N -5.02 3.15 -0.20 5.44 2.02 -1.26 -4.80 118.70 118.04 1x5k s GLU 109 Ca 0.65 1.34 -0.29 0.00 0.02 0.00 0.00 54.97 56.68 1x5k s GLU 109 Cb -0.06 -2.00 -0.03 0.00 0.10 0.00 0.00 34.13 32.15 1x5k s GLU 109 CO 0.43 -0.97 1.54 0.00 0.02 0.00 0.00 175.26 176.28 1x5k s ALA 110 N -2.30 3.38 -0.43 5.21 0.00 -1.26 -4.70 121.76 121.66 1x5k s ALA 110 Ca 0.66 0.49 -0.27 0.00 0.00 0.00 0.00 51.96 52.84 1x5k s ALA 110 Cb -0.19 -3.80 0.02 0.00 0.00 0.00 0.00 23.12 19.16 1x5k s ALA 110 CO 0.36 -1.75 1.02 0.08 0.00 0.00 0.00 175.76 175.47 1x5k s VAL 111 N 4.72 4.40 -0.35 0.00 1.01 0.09 -4.83 120.40 125.45 1x5k s VAL 111 Ca 0.68 1.13 -0.24 0.00 0.00 0.00 0.00 61.98 63.54 1x5k s VAL 111 Cb -0.25 -4.47 0.01 0.00 0.00 0.00 0.00 36.38 31.67 1x5k s VAL 111 CO 0.27 -0.80 0.82 -1.58 0.00 0.00 0.00 175.10 173.81 1x5k s GLN 112 N 3.94 3.83 -0.06 2.72 0.74 -1.26 -1.65 119.66 127.92 1x5k s GLN 112 Ca 0.42 0.45 -0.02 0.00 0.05 0.00 0.00 55.36 56.27 1x5k s GLN 112 Cb -0.10 -3.79 0.03 0.00 1.10 0.00 0.00 33.01 30.26 1x5k s GLN 112 CO 0.25 -0.84 0.02 0.12 -0.55 0.00 0.00 175.29 174.30 1x5k s PHE 113 N 3.17 0.45 0.24 1.67 2.19 -0.91 -5.00 117.98 119.79 1x5k s PHE 113 Ca 0.33 -0.02 -0.30 0.00 0.33 0.00 0.00 56.93 57.28 1x5k s PHE 113 Cb -0.13 -0.69 -0.09 0.00 -1.31 0.00 0.00 43.02 40.80 1x5k s PHE 113 CO 0.16 -0.28 1.09 0.50 1.83 0.00 0.00 175.22 178.52 1x5k s ARG 114 N 2.04 4.63 0.41 10.12 3.52 -1.26 -2.19 118.95 136.22 1x5k s ARG 114 Ca 0.05 1.76 -0.23 0.00 -0.13 0.00 0.00 55.73 57.17 1x5k s ARG 114 Cb -0.12 -3.23 -0.09 0.00 -1.56 0.00 0.00 34.95 29.95 1x5k s ARG 114 CO -0.04 0.18 1.01 0.95 -0.81 0.00 0.00 175.30 176.59 1x5k s THR 115 N -0.80 3.92 0.00 4.11 -4.23 -1.17 -4.96 115.64 112.50 1x5k s THR 115 Ca 0.46 1.39 0.00 0.00 -1.18 0.00 0.00 61.69 62.37 1x5k s THR 115 Cb -0.31 -3.68 0.00 0.00 1.34 0.00 0.00 72.50 69.85 1x5k s THR 115 CO 0.38 -0.06 0.00 -0.81 -0.54 0.00 0.00 174.62 173.59 1x5k n PRO 116 N -0.21 0.26 -4.13 3.99 -0.04 -1.26 -3.38 135.00 130.23 1x5k n PRO 116 Ca 0.06 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.43 1x5k n PRO 116 Cb 0.51 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.87 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 -1.10 0.80 -0.19 0.54 -0.14 -1.26 -3.19 119.74 115.20 1x5k s LYS 117 Ca 0.00 -1.35 -0.02 0.00 -1.36 0.00 0.00 55.97 53.23 1x5k s LYS 117 Cb 0.00 0.18 0.02 0.00 -1.68 0.00 0.00 37.83 36.35 1x5k s LYS 117 CO 0.00 -0.18 2.53 0.00 -0.76 0.00 0.00 175.35 176.93 1x5k n ALA 118 N -0.02 5.39 -3.54 5.17 0.00 -1.26 -4.81 120.51 121.45 1x5k n ALA 118 Ca -0.09 -1.56 -0.37 0.00 0.00 0.00 0.00 53.44 51.42 1x5k n ALA 118 Cb 0.62 -1.65 -0.12 0.00 0.00 0.00 0.00 19.45 18.31 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 1.09 5.27 0.00 0.00 0.15 -1.26 -5.03 113.70 113.92 1x5k s SER 119 Ca 0.37 -1.57 0.00 0.00 0.70 0.00 0.00 55.95 55.44 1x5k s SER 119 Cb 0.23 -1.85 0.00 0.00 -1.71 0.00 0.00 66.02 62.69 1x5k s SER 119 CO -0.05 -0.44 0.00 0.61 1.20 0.00 0.00 173.24 174.56 1x5k n GLY 120 N 4.72 2.97 3.31 9.45 0.00 -1.26 -5.16 105.19 119.22 1x5k n GLY 120 Ca -0.08 -1.14 -0.28 0.00 0.00 0.00 0.00 46.02 44.51 1x5k n GLY 120 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5k n PRO 121 N -1.25 -3.05 -0.07 1.61 -0.04 -1.26 -5.02 135.00 125.91 1x5k n PRO 121 Ca 0.00 -1.65 -0.13 0.00 -0.04 0.00 0.00 63.50 61.68 1x5k n PRO 121 Cb 0.00 -1.55 -0.10 0.00 -0.04 0.00 0.00 33.50 31.81 1x5k n PRO 121 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1x5k h SER 122 N -2.64 0.00 -2.40 3.54 4.64 -2.01 -3.47 113.55 111.20 1x5k h SER 122 Ca -0.39 -0.72 -0.06 0.00 -0.47 0.00 0.00 61.79 60.15 1x5k h SER 122 Cb 1.19 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 63.02 1x5k h SER 122 CO 0.25 1.00 -0.32 -0.94 -0.87 0.00 0.00 176.83 175.95 1x5k s SER 123 N -6.20 -0.43 0.00 4.97 1.04 -1.26 -4.90 113.70 106.91 1x5k s SER 123 Ca -0.18 1.10 0.25 0.00 0.48 0.00 0.00 55.95 57.60 1x5k s SER 123 Cb -0.01 1.54 0.32 0.00 0.10 0.00 0.00 66.02 67.98 1x5k s SER 123 CO 0.54 -0.23 1.34 0.61 0.98 0.00 0.00 173.24 176.48