#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5k n SER 2 N 0.00 -1.43 -3.61 1.61 3.41 -1.26 -5.02 113.62 107.32 1x5k n SER 2 Ca 0.00 0.43 -0.01 0.00 -0.26 0.00 0.00 58.87 59.02 1x5k n SER 2 Cb 0.00 -1.25 -0.01 0.00 -0.26 0.00 0.00 64.21 62.69 1x5k n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x5k s SER 3 N -1.92 -0.10 0.00 4.04 0.15 -1.26 -5.19 113.70 109.43 1x5k s SER 3 Ca 0.61 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 57.17 1x5k s SER 3 Cb -0.25 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.23 1x5k s SER 3 CO 0.63 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 175.38 1x5k n GLY 4 N -0.32 5.17 3.29 9.45 0.00 -1.26 -5.16 105.19 116.35 1x5k n GLY 4 Ca -0.05 -1.61 0.03 0.00 0.00 0.00 0.00 46.02 44.38 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 1.00 -1.21 -0.11 1.61 1.04 -1.26 -5.15 113.70 109.61 1x5k s SER 5 Ca 0.00 1.00 -0.06 0.00 0.48 0.00 0.00 55.95 57.37 1x5k s SER 5 Cb 0.00 2.11 0.05 0.00 0.10 0.00 0.00 66.02 68.28 1x5k s SER 5 CO 0.00 -0.23 0.27 -0.94 0.98 0.00 0.00 173.24 173.32 1x5k s SER 6 N 2.86 -0.30 0.00 7.02 1.04 -1.26 -5.10 113.70 117.96 1x5k s SER 6 Ca 0.11 0.58 0.00 0.00 0.48 0.00 0.00 55.95 57.13 1x5k s SER 6 Cb -0.13 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1x5k s SER 6 CO -0.19 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.47 1x5k n GLY 7 N 4.15 1.32 3.55 7.32 0.00 -1.26 -5.03 105.19 115.24 1x5k n GLY 7 Ca -0.24 -1.53 -0.41 0.00 0.00 0.00 0.00 46.02 43.83 1x5k n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x5k s THR 8 N -1.75 3.96 0.16 2.61 -4.23 -1.26 -4.95 115.64 110.19 1x5k s THR 8 Ca 0.00 -0.67 0.06 0.00 -1.18 0.00 0.00 61.69 59.90 1x5k s THR 8 Cb 0.00 -5.02 -0.04 0.00 1.34 0.00 0.00 72.50 68.78 1x5k s THR 8 CO 0.00 -1.89 -0.14 0.00 -0.54 0.00 0.00 174.62 172.05 1x5k s ALA 9 N 4.89 1.72 -1.03 3.99 0.00 -1.26 -5.07 121.76 125.01 1x5k s ALA 9 Ca 0.43 -1.50 -0.23 0.00 0.00 0.00 0.00 51.96 50.67 1x5k s ALA 9 Cb -0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.04 1x5k s ALA 9 CO -0.07 0.05 1.77 -3.38 0.00 0.00 0.00 175.76 174.13 1x5k s HIS 10 N -2.74 2.16 -0.05 0.00 0.00 -1.26 -4.10 115.29 109.30 1x5k s HIS 10 Ca 0.16 -0.10 -0.02 0.00 -3.00 0.00 0.00 55.06 52.11 1x5k s HIS 10 Cb -0.02 -4.32 0.00 0.00 -4.00 0.00 0.00 32.58 24.25 1x5k s HIS 10 CO 0.04 -1.73 0.07 0.41 -1.00 0.00 0.00 174.74 172.53 1x5k n GLY 11 N 6.54 -0.75 0.29 -1.38 0.00 -1.26 -4.92 105.19 103.70 1x5k n GLY 11 Ca 0.40 0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.53 1x5k n GLY 11 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1x5k h THR 12 N 0.22 0.33 -2.84 2.61 1.35 -1.93 -3.39 112.91 109.26 1x5k h THR 12 Ca 0.00 -0.04 -0.53 0.00 -0.55 0.00 0.00 66.41 65.29 1x5k h THR 12 Cb 0.13 0.19 0.03 0.00 -1.73 0.00 0.00 68.15 66.76 1x5k h THR 12 CO 0.02 0.02 0.87 -0.89 -0.25 0.00 0.00 175.52 175.29 1x5k s THR 13 N -6.07 3.00 -0.12 6.82 2.01 -1.26 -5.01 115.64 115.02 1x5k s THR 13 Ca -0.13 0.64 0.03 0.00 0.31 0.00 0.00 61.69 62.54 1x5k s THR 13 Cb 0.23 -3.41 0.00 0.00 0.01 0.00 0.00 72.50 69.33 1x5k s THR 13 CO 0.76 0.03 -0.22 0.12 -0.69 0.00 0.00 174.62 174.62 1x5k s PHE 14 N 1.64 2.62 0.05 4.92 5.36 -1.26 -5.12 117.98 126.18 1x5k s PHE 14 Ca 0.69 -1.09 -0.03 0.00 -0.96 0.00 0.00 56.93 55.54 1x5k s PHE 14 Cb -0.40 -1.76 -0.02 0.00 -0.34 0.00 0.00 43.02 40.50 1x5k s PHE 14 CO 0.31 -0.45 0.03 -1.21 -1.46 0.00 0.00 175.22 172.43 1x5k s GLU 15 N 0.48 0.58 -0.20 10.12 2.02 -1.26 -5.05 118.70 125.39 1x5k s GLU 15 Ca -0.15 -0.96 -0.02 0.00 0.02 0.00 0.00 54.97 53.86 1x5k s GLU 15 Cb -0.17 0.21 0.06 0.00 0.10 0.00 0.00 34.13 34.33 1x5k s GLU 15 CO 0.06 -0.13 0.02 -0.51 0.02 0.00 0.00 175.26 174.72 1x5k s LEU 16 N -2.45 1.38 0.64 1.80 1.43 -0.82 -5.04 118.68 115.62 1x5k s LEU 16 Ca -0.00 -0.87 -0.17 0.00 -1.03 0.00 0.00 54.13 52.05 1x5k s LEU 16 Cb 0.02 -0.68 -0.09 0.00 0.03 0.00 0.00 46.19 45.47 1x5k s LEU 16 CO -0.07 -0.30 0.29 1.33 0.23 0.00 0.00 176.35 177.84 1x5k n VAL 17 N 5.00 1.44 -2.04 -1.59 0.24 -1.26 -4.22 118.33 115.89 1x5k n VAL 17 Ca -0.09 -0.46 -0.39 0.00 -2.04 0.00 0.00 64.34 61.35 1x5k n VAL 17 Cb 0.47 -0.51 -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 -2.08 2.74 -0.01 7.34 0.04 -1.26 -4.80 135.00 136.97 1x5k s PRO 18 Ca 0.63 0.72 0.02 0.00 0.04 0.00 0.00 61.00 62.41 1x5k s PRO 18 Cb -0.40 -4.35 0.07 0.00 0.04 0.00 0.00 34.50 29.85 1x5k s PRO 18 CO 0.60 -2.59 0.95 0.25 0.04 0.00 0.00 177.00 176.25 1x5k n THR 19 N 7.23 0.13 -4.55 1.26 -2.24 -1.26 -3.88 114.28 110.97 1x5k n THR 19 Ca 0.21 -0.10 -0.21 0.00 -2.27 0.00 0.00 64.05 61.67 1x5k n THR 19 Cb 0.51 -0.08 -0.15 0.00 -2.10 0.00 0.00 70.33 68.51 1x5k n THR 19 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1x5k s SER 20 N -0.78 1.47 0.94 3.42 0.15 -1.26 -4.75 113.70 112.89 1x5k s SER 20 Ca 0.05 -0.23 -0.12 0.00 0.70 0.00 0.00 55.95 56.35 1x5k s SER 20 Cb 0.03 -0.21 0.15 0.00 -1.71 0.00 0.00 66.02 64.28 1x5k s SER 20 CO 0.03 0.14 1.09 -2.16 1.20 0.00 0.00 173.24 173.54 1x5k s PRO 21 N -0.20 0.93 0.92 5.44 0.04 -1.26 -4.71 135.00 136.15 1x5k s PRO 21 Ca 0.03 0.70 -0.12 0.00 0.04 0.00 0.00 61.00 61.65 1x5k s PRO 21 Cb -0.06 -1.78 0.14 0.00 0.04 0.00 0.00 34.50 32.85 1x5k s PRO 21 CO -0.00 -2.44 1.09 -1.25 0.04 0.00 0.00 177.00 174.44 1x5k s PRO 22 N -4.95 1.04 0.39 0.56 0.04 -1.26 -4.37 135.00 126.46 1x5k s PRO 22 Ca 0.64 0.74 0.01 0.00 0.04 0.00 0.00 61.00 62.44 1x5k s PRO 22 Cb -0.18 -1.79 0.01 0.00 0.04 0.00 0.00 34.50 32.58 1x5k s PRO 22 CO 0.57 -2.37 0.10 1.63 0.04 0.00 0.00 177.00 176.97 1x5k n LYS 23 N -3.96 1.01 -4.33 4.56 5.02 -0.52 -4.77 118.16 115.17 1x5k n LYS 23 Ca 0.07 -2.73 -0.32 0.00 -2.02 0.00 0.00 58.31 53.31 1x5k n LYS 23 Cb 0.56 0.59 -0.09 0.00 -0.02 0.00 0.00 35.03 36.07 1x5k n LYS 23 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1x5k n ASP 24 N -1.44 0.52 -4.60 4.39 9.92 -1.26 -1.09 116.55 122.97 1x5k n ASP 24 Ca -0.11 -1.26 -0.43 0.00 -0.53 0.00 0.00 54.79 52.46 1x5k n ASP 24 Cb 0.48 -1.67 -0.02 0.00 -0.64 0.00 0.00 41.12 39.27 1x5k n ASP 24 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1x5k s VAL 25 N -4.22 4.26 0.03 2.53 1.01 -1.26 -3.64 120.40 119.11 1x5k s VAL 25 Ca 0.11 1.28 0.00 0.00 0.00 0.00 0.00 61.98 63.38 1x5k s VAL 25 Cb -0.07 -4.57 -0.02 0.00 0.00 0.00 0.00 36.38 31.72 1x5k s VAL 25 CO 1.00 -0.93 -0.04 0.42 0.00 0.00 0.00 175.10 175.55 1x5k s THR 26 N 4.31 0.23 -0.24 3.92 -4.23 -0.03 -5.03 115.64 114.57 1x5k s THR 26 Ca 0.47 -1.11 -0.01 0.00 -1.18 0.00 0.00 61.69 59.87 1x5k s THR 26 Cb -0.08 -0.56 0.07 0.00 1.34 0.00 0.00 72.50 73.28 1x5k s THR 26 CO 0.29 -0.56 0.02 -0.69 -0.54 0.00 0.00 174.62 173.14 1x5k s VAL 27 N -1.87 1.02 0.54 2.29 1.01 -1.26 -0.91 120.40 121.21 1x5k s VAL 27 Ca -0.11 -1.07 0.08 0.00 0.00 0.00 0.00 61.98 60.89 1x5k s VAL 27 Cb -0.07 -1.52 0.05 0.00 0.00 0.00 0.00 36.38 34.85 1x5k s VAL 27 CO -0.02 -0.31 0.60 0.68 0.00 0.00 0.00 175.10 176.05 1x5k s VAL 28 N 1.60 2.08 0.13 2.92 -7.23 -0.63 -4.98 120.40 114.29 1x5k s VAL 28 Ca 0.01 -1.21 0.09 0.00 -1.81 0.00 0.00 61.98 59.06 1x5k s VAL 28 Cb -0.18 -2.28 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 1x5k s VAL 28 CO -0.12 0.00 -0.18 -0.44 -0.31 0.00 0.00 175.10 174.05 1x5k s SER 29 N -4.46 3.84 0.32 4.85 0.01 -1.26 -1.82 113.70 115.18 1x5k s SER 29 Ca 0.50 -0.61 -0.15 0.00 1.31 0.00 0.00 55.95 57.00 1x5k s SER 29 Cb -0.05 -0.51 -0.09 0.00 0.21 0.00 0.00 66.02 65.59 1x5k s SER 29 CO 0.31 0.16 0.74 -0.75 0.41 0.00 0.00 173.24 174.12 1x5k s LYS 30 N -2.27 4.03 -0.03 12.44 2.47 0.64 -4.77 119.74 132.25 1x5k s LYS 30 Ca 0.19 0.70 -0.01 0.00 -1.56 0.00 0.00 55.97 55.28 1x5k s LYS 30 Cb -0.10 -2.46 -0.00 0.00 -1.46 0.00 0.00 37.83 33.81 1x5k s LYS 30 CO 0.10 0.17 -0.02 1.49 0.16 0.00 0.00 175.35 177.25 1x5k h GLU 31 N 2.34 0.00 -1.35 4.03 4.81 -1.95 -3.35 114.58 119.10 1x5k h GLU 31 Ca -0.48 0.00 0.39 0.00 -0.13 0.00 0.00 59.36 59.14 1x5k h GLU 31 Cb 1.18 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.50 1x5k h GLU 31 CO 0.65 0.00 1.25 0.41 -0.73 0.00 0.00 179.01 180.59 1x5k n GLY 32 N 1.85 -0.81 3.12 1.92 0.00 -1.26 -4.12 105.19 105.89 1x5k n GLY 32 Ca -0.01 0.47 -0.12 0.00 0.00 0.00 0.00 46.02 46.36 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 -4.50 0.27 -0.02 1.61 2.36 -1.26 -5.07 119.74 113.13 1x5k s LYS 33 Ca -0.03 0.55 -0.25 0.00 -2.55 0.00 0.00 55.97 53.69 1x5k s LYS 33 Cb 0.18 -0.04 -0.18 0.00 -1.05 0.00 0.00 37.83 36.74 1x5k s LYS 33 CO 0.61 -0.13 1.17 -1.00 1.55 0.00 0.00 175.35 177.55 1x5k h PRO 34 N 6.84 -0.13 -0.04 4.03 0.13 -1.72 -3.11 132.00 138.00 1x5k h PRO 34 Ca -0.37 0.01 0.01 0.00 -0.87 0.00 0.00 66.00 64.78 1x5k h PRO 34 Cb 1.17 0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1x5k h PRO 34 CO 0.35 0.30 0.05 0.87 -0.23 0.00 0.00 178.00 179.35 1x5k h LYS 35 N -0.63 0.00 -6.59 0.86 1.57 -1.89 -3.42 116.57 106.47 1x5k h LYS 35 Ca -0.01 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.25 1x5k h LYS 35 Cb 0.50 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 1x5k h LYS 35 CO 0.02 0.00 0.35 0.99 -0.57 0.00 0.00 179.45 180.24 1x5k s THR 36 N -4.54 4.42 0.21 -0.16 2.01 -1.18 -3.78 115.64 112.63 1x5k s THR 36 Ca -0.05 2.05 0.00 0.00 0.31 0.00 0.00 61.69 64.00 1x5k s THR 36 Cb 0.15 -4.31 -0.05 0.00 0.01 0.00 0.00 72.50 68.30 1x5k s THR 36 CO 0.52 0.36 0.09 0.27 -0.69 0.00 0.00 174.62 175.16 1x5k s ILE 37 N -0.28 0.34 -0.11 1.82 -4.36 -0.58 -0.26 121.20 117.78 1x5k s ILE 37 Ca 0.45 -1.98 -0.02 0.00 -0.26 0.00 0.00 60.65 58.84 1x5k s ILE 37 Cb -0.24 -2.43 0.04 0.00 1.25 0.00 0.00 42.46 41.08 1x5k s ILE 37 CO 0.30 -0.14 0.01 -0.63 0.24 0.00 0.00 174.94 174.72 1x5k s ILE 38 N -3.91 0.43 -0.37 8.37 1.09 -0.75 -2.37 121.20 123.69 1x5k s ILE 38 Ca 0.34 -0.09 -0.17 0.00 -1.10 0.00 0.00 60.65 59.62 1x5k s ILE 38 Cb 0.07 -0.70 0.00 0.00 -1.06 0.00 0.00 42.46 40.78 1x5k s ILE 38 CO 0.10 0.12 0.48 -0.69 -0.10 0.00 0.00 174.94 174.85 1x5k s VAL 39 N 1.93 5.05 -0.11 2.92 1.01 -0.65 -1.60 120.40 128.94 1x5k s VAL 39 Ca 0.03 0.14 -0.08 0.00 0.00 0.00 0.00 61.98 62.07 1x5k s VAL 39 Cb -0.14 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 1x5k s VAL 39 CO -0.06 -0.26 0.16 0.20 0.00 0.00 0.00 175.10 175.14 1x5k s ASN 40 N 1.78 6.42 0.30 3.32 -0.87 -0.09 -2.83 114.94 122.96 1x5k s ASN 40 Ca 0.16 0.50 -0.19 0.00 -1.57 0.00 0.00 52.86 51.76 1x5k s ASN 40 Cb -0.16 -2.09 0.02 0.00 -0.02 0.00 0.00 41.25 39.01 1x5k s ASN 40 CO 0.13 0.39 0.70 -1.66 -2.57 0.00 0.00 177.10 174.10 1x5k s TRP 41 N -0.98 -0.05 0.11 2.20 -2.14 -1.07 -0.85 118.94 116.17 1x5k s TRP 41 Ca 0.15 -0.44 0.02 0.00 2.66 0.00 0.00 56.10 58.49 1x5k s TRP 41 Cb -0.12 0.66 -0.04 0.00 -3.10 0.00 0.00 33.47 30.86 1x5k s TRP 41 CO 0.04 -1.27 -0.05 -0.65 -2.66 0.00 0.00 176.95 172.36 1x5k s GLN 42 N -3.62 0.88 0.65 3.25 -0.21 -0.25 -4.75 119.66 115.60 1x5k s GLN 42 Ca 0.13 -1.37 -0.15 0.00 0.02 0.00 0.00 55.36 53.99 1x5k s GLN 42 Cb -0.05 -0.21 -0.01 0.00 1.00 0.00 0.00 33.01 33.74 1x5k s GLN 42 CO 0.08 -0.04 1.11 -1.25 -2.12 0.00 0.00 175.29 173.08 1x5k s PRO 43 N -3.85 2.86 0.62 2.91 0.04 -1.26 -1.44 135.00 134.88 1x5k s PRO 43 Ca 0.14 1.41 -0.17 0.00 0.04 0.00 0.00 61.00 62.43 1x5k s PRO 43 Cb 0.05 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.62 1x5k s PRO 43 CO -0.03 -1.21 1.12 -1.25 0.04 0.00 0.00 177.00 175.67 1x5k s PRO 44 N -4.01 3.00 0.06 0.56 0.04 -1.26 -4.33 135.00 129.06 1x5k s PRO 44 Ca 0.68 1.46 -0.23 0.00 0.04 0.00 0.00 61.00 62.95 1x5k s PRO 44 Cb -0.21 -1.97 -0.16 0.00 0.04 0.00 0.00 34.50 32.21 1x5k s PRO 44 CO 0.40 -1.11 1.62 1.03 0.04 0.00 0.00 177.00 178.99 1x5k h SER 45 N 0.44 0.03 -0.53 6.66 0.87 -1.92 -3.12 113.55 115.98 1x5k h SER 45 Ca -0.48 -0.13 0.09 0.00 -1.23 0.00 0.00 61.79 60.04 1x5k h SER 45 Cb 1.25 -0.01 -0.10 0.00 -0.44 0.00 0.00 62.40 63.10 1x5k h SER 45 CO 0.55 0.15 -0.39 -0.33 -0.53 0.00 0.00 176.83 176.28 1x5k h GLU 46 N -0.10 -0.22 -6.73 2.24 4.39 -1.94 -3.44 114.58 108.77 1x5k h GLU 46 Ca 0.01 0.02 -0.49 0.00 0.34 0.00 0.00 59.36 59.23 1x5k h GLU 46 Cb 0.13 0.05 -0.14 0.00 -0.10 0.00 0.00 28.75 28.69 1x5k h GLU 46 CO -0.00 -0.15 -0.78 0.00 -1.16 0.00 0.00 179.01 176.93 1x5k n ALA 47 N -3.12 -1.89 -0.86 3.43 0.00 -1.18 -4.70 120.51 112.18 1x5k n ALA 47 Ca 0.02 -0.36 -0.15 0.00 0.00 0.00 0.00 53.44 52.95 1x5k n ALA 47 Cb 0.35 -0.88 -0.11 0.00 0.00 0.00 0.00 19.45 18.81 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 -2.09 4.87 0.00 0.00 3.02 -1.26 -4.73 115.26 115.07 1x5k n ASN 48 Ca -0.23 -2.33 0.00 0.00 -0.03 0.00 0.00 54.58 51.99 1x5k n ASN 48 Cb 0.53 -1.20 0.00 0.00 -0.61 0.00 0.00 39.78 38.51 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 2.83 3.64 3.66 7.41 0.00 -1.26 -1.94 105.19 119.53 1x5k n GLY 49 Ca 0.41 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.31 4.15 0.11 1.61 2.20 -1.26 -4.95 119.74 119.28 1x5k s LYS 50 Ca 0.00 2.33 -0.31 0.00 -0.36 0.00 0.00 55.97 57.63 1x5k s LYS 50 Cb 0.00 -4.06 -0.07 0.00 -1.51 0.00 0.00 37.83 32.20 1x5k s LYS 50 CO 0.00 -0.91 1.25 0.42 -0.36 0.00 0.00 175.35 175.75 1x5k s ILE 51 N 4.26 3.72 -0.24 5.43 -1.09 -1.26 -4.16 121.20 127.86 1x5k s ILE 51 Ca 0.79 1.28 0.02 0.00 -2.23 0.00 0.00 60.65 60.51 1x5k s ILE 51 Cb -0.36 -3.82 -0.16 0.00 -1.58 0.00 0.00 42.46 36.53 1x5k s ILE 51 CO 0.34 0.13 -0.21 0.35 -1.23 0.00 0.00 174.94 174.32 1x5k n THR 52 N 3.57 1.39 -3.90 2.92 -2.24 -1.11 -5.00 114.28 109.90 1x5k n THR 52 Ca 0.08 -0.54 -0.01 0.00 -2.27 0.00 0.00 64.05 61.31 1x5k n THR 52 Cb 0.45 -1.34 0.02 0.00 -2.10 0.00 0.00 70.33 67.35 1x5k n THR 52 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1x5k s GLY 53 N -6.34 0.02 0.12 3.38 0.00 -1.06 -4.11 107.32 99.32 1x5k s GLY 53 Ca -0.32 -0.18 0.04 0.00 0.00 0.00 0.00 44.72 44.26 1x5k s GLY 53 CO 0.57 3.28 -0.11 -0.19 0.00 0.00 0.00 173.10 176.65 1x5k s TYR 54 N -2.15 1.21 0.06 1.90 1.51 -1.26 -2.14 117.35 116.48 1x5k s TYR 54 Ca 0.24 -0.68 0.08 0.00 -1.01 0.00 0.00 57.07 55.70 1x5k s TYR 54 Cb -0.02 -0.63 -0.03 0.00 -0.11 0.00 0.00 41.96 41.17 1x5k s TYR 54 CO 0.03 0.06 -0.23 0.42 -1.11 0.00 0.00 175.55 174.72 1x5k s ILE 55 N -2.77 1.84 -0.06 2.71 1.01 -0.26 -1.05 121.20 122.61 1x5k s ILE 55 Ca 0.11 -1.36 0.03 0.00 0.00 0.00 0.00 60.65 59.43 1x5k s ILE 55 Cb -0.01 -1.61 0.00 0.00 0.01 0.00 0.00 42.46 40.86 1x5k s ILE 55 CO 0.01 0.18 -0.16 -0.63 0.00 0.00 0.00 174.94 174.34 1x5k s ILE 56 N -0.89 1.39 -0.11 2.92 1.01 -0.67 -1.42 121.20 123.43 1x5k s ILE 56 Ca 0.09 -0.65 0.03 0.00 0.00 0.00 0.00 60.65 60.12 1x5k s ILE 56 Cb -0.09 -1.22 0.00 0.00 0.01 0.00 0.00 42.46 41.16 1x5k s ILE 56 CO 0.03 0.41 -0.23 -0.31 0.00 0.00 0.00 174.94 174.84 1x5k s TYR 57 N 0.38 2.61 -0.04 3.97 1.51 -0.38 -0.26 117.35 125.14 1x5k s TYR 57 Ca -0.11 -1.09 -0.03 0.00 -1.01 0.00 0.00 57.07 54.83 1x5k s TYR 57 Cb -0.14 -1.75 0.02 0.00 -0.11 0.00 0.00 41.96 39.97 1x5k s TYR 57 CO 0.04 -0.45 0.09 1.52 -1.11 0.00 0.00 175.55 175.63 1x5k s TYR 58 N 0.47 -0.09 -0.24 2.71 -0.85 -1.25 -0.15 117.35 117.94 1x5k s TYR 58 Ca -0.15 0.26 -0.23 0.00 -0.52 0.00 0.00 57.07 56.43 1x5k s TYR 58 Cb -0.17 -0.02 0.06 0.00 0.38 0.00 0.00 41.96 42.22 1x5k s TYR 58 CO 0.06 -0.07 0.66 0.45 -1.52 0.00 0.00 175.55 175.13 1x5k s SER 59 N 0.34 -0.69 0.36 -0.18 0.15 -1.12 -3.40 113.70 109.17 1x5k s SER 59 Ca -0.02 1.31 0.14 0.00 0.70 0.00 0.00 55.95 58.08 1x5k s SER 59 Cb -0.04 1.33 0.99 0.00 -1.71 0.00 0.00 66.02 66.59 1x5k s SER 59 CO -0.01 -0.24 1.76 0.71 1.20 0.00 0.00 173.24 176.66 1x5k h THR 60 N 4.07 0.56 -3.85 6.45 1.35 -1.89 -3.30 112.91 116.31 1x5k h THR 60 Ca -0.29 -0.17 -0.48 0.00 -0.55 0.00 0.00 66.41 64.93 1x5k h THR 60 Cb 1.16 0.01 -0.02 0.00 -1.73 0.00 0.00 68.15 67.57 1x5k h THR 60 CO 0.09 0.09 0.19 -1.81 -0.25 0.00 0.00 175.52 173.83 1x5k s ASP 61 N -5.28 6.80 -0.03 5.36 1.11 -1.26 -4.71 116.67 118.66 1x5k s ASP 61 Ca -0.10 1.41 0.12 0.00 0.18 0.00 0.00 52.55 54.16 1x5k s ASP 61 Cb 0.26 -2.43 -0.18 0.00 1.07 0.00 0.00 42.92 41.64 1x5k s ASP 61 CO 0.80 -0.28 0.22 0.55 1.18 0.00 0.00 175.17 177.64 1x5k n VAL 62 N -0.56 0.15 -1.35 -1.27 3.14 -1.26 -4.51 118.33 112.67 1x5k n VAL 62 Ca 0.05 -0.31 -0.10 0.00 -2.96 0.00 0.00 64.34 61.01 1x5k n VAL 62 Cb 0.53 0.04 0.20 0.00 -1.06 0.00 0.00 33.84 33.56 1x5k n VAL 62 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1x5k n ASN 63 N -2.02 3.02 -4.80 6.55 3.02 -1.26 -4.98 115.26 114.80 1x5k n ASN 63 Ca -0.05 -3.68 -0.36 0.00 -0.03 0.00 0.00 54.58 50.46 1x5k n ASN 63 Cb 0.42 -0.70 -0.07 0.00 -0.61 0.00 0.00 39.78 38.82 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 -3.24 3.76 0.16 5.41 0.00 -1.26 -5.04 121.76 121.55 1x5k s ALA 64 Ca 0.49 -0.67 -0.33 0.00 0.00 0.00 0.00 51.96 51.45 1x5k s ALA 64 Cb 0.43 -2.03 -0.16 0.00 0.00 0.00 0.00 23.12 21.36 1x5k s ALA 64 CO 0.04 0.42 1.16 0.39 0.00 0.00 0.00 175.76 177.77 1x5k n GLU 65 N 2.67 1.11 0.06 0.00 1.02 -1.26 -4.74 120.64 119.49 1x5k n GLU 65 Ca -0.18 0.40 0.19 0.00 -0.02 0.00 0.00 57.16 57.54 1x5k n GLU 65 Cb 0.54 -1.89 0.50 0.00 -0.02 0.00 0.00 31.44 30.56 1x5k n GLU 65 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1x5k h ILE 66 N 2.68 0.10 -0.62 -3.67 6.09 -1.96 0.32 117.51 120.45 1x5k h ILE 66 Ca -0.43 0.00 0.04 0.00 -1.37 0.00 0.00 64.86 63.10 1x5k h ILE 66 Cb 1.35 0.28 -0.04 0.00 0.47 0.00 0.00 36.82 38.87 1x5k h ILE 66 CO 0.70 0.00 0.36 0.45 -3.07 0.00 0.00 178.15 176.59 1x5k h HIS 67 N 0.00 0.67 -0.32 2.19 3.86 -2.02 -2.14 115.15 117.39 1x5k h HIS 67 Ca 0.24 0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.36 1x5k h HIS 67 Cb 1.91 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 30.15 1x5k h HIS 67 CO 0.00 0.36 -0.27 -0.44 0.86 0.00 0.00 177.93 178.44 1x5k h ASP 68 N 0.70 0.67 -2.54 2.45 5.19 -0.67 -3.44 116.42 118.77 1x5k h ASP 68 Ca 0.26 -0.25 -0.59 0.00 -0.62 0.00 0.00 57.03 55.83 1x5k h ASP 68 Cb 0.08 -0.18 0.08 0.00 0.18 0.00 0.00 39.33 39.49 1x5k h ASP 68 CO -0.13 0.91 0.61 0.79 -3.12 0.00 0.00 179.24 178.30 1x5k n TRP 69 N -4.10 2.10 -2.05 4.55 7.02 -0.81 -4.94 117.44 119.22 1x5k n TRP 69 Ca -0.00 0.43 -0.34 0.00 -1.02 0.00 0.00 57.50 56.57 1x5k n TRP 69 Cb 0.44 -2.46 0.02 0.00 -2.42 0.00 0.00 31.31 26.89 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 0.09 3.33 -0.33 -0.99 0.11 -1.22 -4.89 120.40 116.50 1x5k s VAL 70 Ca 0.70 0.72 -0.09 0.00 -2.93 0.00 0.00 61.98 60.38 1x5k s VAL 70 Cb -0.68 -3.24 0.01 0.00 -1.53 0.00 0.00 36.38 30.95 1x5k s VAL 70 CO 0.48 -0.29 0.16 -0.63 -3.33 0.00 0.00 175.10 171.49 1x5k s ILE 71 N -2.11 4.42 -0.83 7.04 1.01 -1.26 -3.77 121.20 125.70 1x5k s ILE 71 Ca 0.69 -0.68 -0.05 0.00 0.00 0.00 0.00 60.65 60.61 1x5k s ILE 71 Cb -0.21 -3.36 0.21 0.00 0.01 0.00 0.00 42.46 39.11 1x5k s ILE 71 CO 0.34 -0.06 0.72 -1.61 0.00 0.00 0.00 174.94 174.32 1x5k s GLU 72 N 1.56 3.22 0.19 2.79 8.01 0.64 -4.95 118.70 130.15 1x5k s GLU 72 Ca 0.03 -2.95 -0.30 0.00 0.01 0.00 0.00 54.97 51.76 1x5k s GLU 72 Cb -0.18 -4.02 -0.09 0.00 -4.31 0.00 0.00 34.13 25.53 1x5k s GLU 72 CO 0.05 -1.24 1.31 -1.25 0.01 0.00 0.00 175.26 174.14 1x5k s PRO 73 N -0.77 4.39 -0.13 0.39 0.04 -1.26 -1.66 135.00 135.99 1x5k s PRO 73 Ca 0.23 2.04 -0.07 0.00 0.04 0.00 0.00 61.00 63.25 1x5k s PRO 73 Cb -0.12 -3.20 -0.04 0.00 0.04 0.00 0.00 34.50 31.18 1x5k s PRO 73 CO -0.09 -0.26 0.13 0.08 0.04 0.00 0.00 177.00 176.90 1x5k s VAL 74 N 0.19 5.40 0.43 -0.36 1.01 -0.22 -4.99 120.40 121.86 1x5k s VAL 74 Ca 0.57 0.17 0.08 0.00 0.00 0.00 0.00 61.98 62.80 1x5k s VAL 74 Cb -0.36 -3.37 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 1x5k s VAL 74 CO 0.37 0.59 0.42 0.68 0.00 0.00 0.00 175.10 177.17 1x5k s VAL 75 N -0.76 2.66 -1.47 2.92 -7.23 -1.26 -4.18 120.40 111.08 1x5k s VAL 75 Ca 0.13 -1.28 -0.06 0.00 -1.81 0.00 0.00 61.98 58.96 1x5k s VAL 75 Cb -0.12 -2.94 0.03 0.00 0.56 0.00 0.00 36.38 33.91 1x5k s VAL 75 CO 0.03 0.00 0.60 0.61 -0.31 0.00 0.00 175.10 176.03 1x5k n GLY 76 N -1.63 -0.51 3.91 2.32 0.00 -1.26 -1.88 105.19 106.14 1x5k n GLY 76 Ca 0.04 0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1x5k n GLY 76 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1x5k n ASN 77 N -2.48 -1.68 -4.77 1.61 5.15 -1.26 -4.85 115.26 106.98 1x5k n ASN 77 Ca -0.08 -0.71 -0.38 0.00 -0.60 0.00 0.00 54.58 52.82 1x5k n ASN 77 Cb 0.59 -1.50 -0.03 0.00 -0.53 0.00 0.00 39.78 38.31 1x5k n ASN 77 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1x5k s ARG 78 N -6.55 4.23 0.00 1.20 3.52 -0.79 -4.95 118.95 115.63 1x5k s ARG 78 Ca 0.58 1.67 0.23 0.00 -0.13 0.00 0.00 55.73 58.08 1x5k s ARG 78 Cb -0.34 -2.72 0.53 0.00 -1.56 0.00 0.00 34.95 30.86 1x5k s ARG 78 CO 0.71 -0.12 1.47 1.28 -0.81 0.00 0.00 175.30 177.83 1x5k n LEU 79 N 0.25 3.72 -4.10 -0.88 4.77 -1.26 -4.66 117.00 114.83 1x5k n LEU 79 Ca 0.03 -1.72 -0.09 0.00 -0.03 0.00 0.00 56.01 54.20 1x5k n LEU 79 Cb 0.48 -0.36 -0.10 0.00 -2.33 0.00 0.00 43.42 41.10 1x5k n LEU 79 CO 0.49 0.86 -0.38 0.28 -1.33 0.00 0.00 177.39 177.31 1x5k s THR 80 N -1.28 0.42 -0.02 -5.08 -1.32 -1.26 -2.58 115.64 104.52 1x5k s THR 80 Ca 0.44 -1.61 -0.07 0.00 -1.21 0.00 0.00 61.69 59.24 1x5k s THR 80 Cb 0.24 -1.25 0.01 0.00 -1.51 0.00 0.00 72.50 69.99 1x5k s THR 80 CO 0.33 -0.79 0.14 -2.28 -2.21 0.00 0.00 174.62 169.82 1x5k s HIS 81 N -3.06 -0.04 -0.31 9.09 2.46 -1.13 -4.99 115.29 117.30 1x5k s HIS 81 Ca 0.03 0.09 0.00 0.00 0.47 0.00 0.00 55.06 55.65 1x5k s HIS 81 Cb 0.02 -0.01 0.07 0.00 -0.13 0.00 0.00 32.58 32.53 1x5k s HIS 81 CO -0.05 -0.21 0.01 -0.65 -2.47 0.00 0.00 174.74 171.37 1x5k s GLN 82 N -0.80 2.17 -0.19 2.88 1.11 -1.26 -1.64 119.66 121.93 1x5k s GLN 82 Ca -0.09 -1.46 -0.09 0.00 0.01 0.00 0.00 55.36 53.73 1x5k s GLN 82 Cb -0.05 -3.16 -0.05 0.00 -1.01 0.00 0.00 33.01 28.74 1x5k s GLN 82 CO 0.01 -0.72 0.11 0.42 0.01 0.00 0.00 175.29 175.12 1x5k s ILE 83 N 1.14 5.23 0.51 1.08 1.01 -1.00 -4.92 121.20 124.25 1x5k s ILE 83 Ca -0.02 0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.76 1x5k s ILE 83 Cb -0.20 -3.37 0.00 0.00 0.01 0.00 0.00 42.46 38.90 1x5k s ILE 83 CO -0.04 0.47 0.02 0.00 0.00 0.00 0.00 174.94 175.39 1x5k n GLN 84 N 3.35 0.77 -3.03 2.79 6.02 -1.26 -1.53 117.38 124.49 1x5k n GLN 84 Ca -0.17 -3.68 -0.20 0.00 -0.01 0.00 0.00 57.00 52.94 1x5k n GLN 84 Cb 0.52 0.96 0.04 0.00 1.02 0.00 0.00 30.24 32.78 1x5k n GLN 84 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1x5k n GLU 85 N -1.29 -4.86 -3.71 -1.09 1.02 -1.26 -4.94 120.64 104.51 1x5k n GLU 85 Ca -0.20 0.81 -0.26 0.00 -0.02 0.00 0.00 57.16 57.50 1x5k n GLU 85 Cb 0.64 -5.51 -0.03 0.00 -0.02 0.00 0.00 31.44 26.52 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 -6.16 4.22 0.42 -4.62 1.43 -1.25 -5.08 118.68 107.63 1x5k s LEU 86 Ca 0.31 0.34 -0.23 0.00 -1.03 0.00 0.00 54.13 53.52 1x5k s LEU 86 Cb -0.14 -3.12 -0.09 0.00 0.03 0.00 0.00 46.19 42.87 1x5k s LEU 86 CO 0.39 -0.08 1.03 -0.89 0.23 0.00 0.00 176.35 177.02 1x5k s THR 87 N -1.95 3.86 0.47 5.49 2.01 -1.26 -4.69 115.64 119.57 1x5k s THR 87 Ca 0.38 1.34 0.07 0.00 0.31 0.00 0.00 61.69 63.78 1x5k s THR 87 Cb -0.10 -3.65 0.02 0.00 0.01 0.00 0.00 72.50 68.78 1x5k s THR 87 CO 0.30 -0.08 0.64 -0.76 -0.69 0.00 0.00 174.62 174.03 1x5k s LEU 88 N -2.85 3.52 -1.43 4.42 1.43 -1.26 -4.44 118.68 118.07 1x5k s LEU 88 Ca 0.60 -0.39 -0.18 0.00 -1.03 0.00 0.00 54.13 53.13 1x5k s LEU 88 Cb -0.19 -2.58 0.18 0.00 0.03 0.00 0.00 46.19 43.64 1x5k s LEU 88 CO 0.24 -0.92 0.45 -0.67 0.23 0.00 0.00 176.35 175.69 1x5k n ASP 89 N -2.00 -1.51 -3.85 2.29 2.03 -1.23 -4.88 116.55 107.41 1x5k n ASP 89 Ca 0.09 -0.89 -0.14 0.00 0.52 0.00 0.00 54.79 54.37 1x5k n ASP 89 Cb 0.59 -1.33 -0.15 0.00 -0.72 0.00 0.00 41.12 39.51 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 -2.81 0.09 -0.01 5.18 2.01 -1.26 -4.98 115.64 113.85 1x5k s THR 90 Ca 0.64 0.04 -0.30 0.00 0.31 0.00 0.00 61.69 62.38 1x5k s THR 90 Cb -0.37 -0.14 -0.06 0.00 0.01 0.00 0.00 72.50 71.94 1x5k s THR 90 CO 0.78 0.07 1.46 -2.16 -0.69 0.00 0.00 174.62 174.08 1x5k s PRO 91 N 0.49 4.25 -0.03 4.92 0.04 -1.26 -3.25 135.00 140.16 1x5k s PRO 91 Ca -0.04 2.02 0.04 0.00 0.04 0.00 0.00 61.00 63.06 1x5k s PRO 91 Cb -0.07 -3.65 -0.00 0.00 0.04 0.00 0.00 34.50 30.82 1x5k s PRO 91 CO -0.01 -0.65 -0.14 0.71 0.04 0.00 0.00 177.00 176.95 1x5k s TYR 92 N 2.76 1.39 -0.19 0.56 1.51 -1.24 -4.77 117.35 117.36 1x5k s TYR 92 Ca 0.66 -0.34 -0.06 0.00 -1.01 0.00 0.00 57.07 56.31 1x5k s TYR 92 Cb -0.32 -0.93 -0.03 0.00 -0.11 0.00 0.00 41.96 40.57 1x5k s TYR 92 CO 0.27 -0.10 0.03 0.71 -1.11 0.00 0.00 175.55 175.34 1x5k s TYR 93 N -0.05 3.11 0.24 2.71 1.51 -1.24 -1.66 117.35 121.97 1x5k s TYR 93 Ca -0.00 -0.24 0.09 0.00 -1.01 0.00 0.00 57.07 55.90 1x5k s TYR 93 Cb -0.09 -2.08 -0.04 0.00 -0.11 0.00 0.00 41.96 39.64 1x5k s TYR 93 CO 0.01 -0.09 0.03 -0.06 -1.11 0.00 0.00 175.55 174.33 1x5k s PHE 94 N 0.78 2.80 -0.05 2.71 0.08 -0.96 -2.81 117.98 120.52 1x5k s PHE 94 Ca 0.02 -0.19 -0.11 0.00 0.12 0.00 0.00 56.93 56.77 1x5k s PHE 94 Cb -0.14 -1.27 0.02 0.00 -0.57 0.00 0.00 43.02 41.06 1x5k s PHE 94 CO 0.02 0.58 0.26 0.15 -0.10 0.00 0.00 175.22 176.13 1x5k s LYS 95 N -3.53 0.48 0.07 0.44 1.02 0.78 -1.62 119.74 117.38 1x5k s LYS 95 Ca 0.31 0.02 0.07 0.00 0.02 0.00 0.00 55.97 56.39 1x5k s LYS 95 Cb -0.07 0.22 -0.03 0.00 -0.52 0.00 0.00 37.83 37.42 1x5k s LYS 95 CO 0.20 -0.11 -0.19 0.42 -0.92 0.00 0.00 175.35 174.76 1x5k s ILE 96 N -0.69 1.55 -0.03 2.17 1.01 -1.26 -1.25 121.20 122.71 1x5k s ILE 96 Ca -0.08 -1.31 -0.19 0.00 0.00 0.00 0.00 60.65 59.07 1x5k s ILE 96 Cb -0.04 -1.39 0.04 0.00 0.01 0.00 0.00 42.46 41.07 1x5k s ILE 96 CO 0.02 0.03 0.41 -1.58 0.00 0.00 0.00 174.94 173.82 1x5k s GLN 97 N -1.51 0.77 0.12 2.79 0.74 -0.51 -3.29 119.66 118.77 1x5k s GLN 97 Ca 0.05 -0.06 0.04 0.00 0.05 0.00 0.00 55.36 55.44 1x5k s GLN 97 Cb -0.09 0.35 -0.04 0.00 1.10 0.00 0.00 33.01 34.33 1x5k s GLN 97 CO 0.03 -0.22 0.10 0.00 -0.55 0.00 0.00 175.29 174.65 1x5k s ALA 98 N -1.27 3.56 -0.16 1.58 0.00 -1.26 -1.10 121.76 123.11 1x5k s ALA 98 Ca -0.13 -1.10 -0.13 0.00 0.00 0.00 0.00 51.96 50.60 1x5k s ALA 98 Cb -0.04 -1.40 0.05 0.00 0.00 0.00 0.00 23.12 21.73 1x5k s ALA 98 CO 0.06 0.64 0.41 0.50 0.00 0.00 0.00 175.76 177.37 1x5k s ARG 99 N -2.69 0.46 0.38 0.00 3.52 -0.91 -2.03 118.95 117.68 1x5k s ARG 99 Ca 0.30 0.63 0.01 0.00 -0.13 0.00 0.00 55.73 56.54 1x5k s ARG 99 Cb -0.11 0.16 -0.00 0.00 -1.56 0.00 0.00 34.95 33.43 1x5k s ARG 99 CO 0.22 -0.09 0.04 0.27 -0.81 0.00 0.00 175.30 174.94 1x5k n ASN 100 N 3.26 2.51 -0.28 -2.12 0.23 0.12 -2.58 115.26 116.40 1x5k n ASN 100 Ca -0.16 -2.77 0.15 0.00 -0.53 0.00 0.00 54.58 51.27 1x5k n ASN 100 Cb 0.57 0.46 0.28 0.00 -2.08 0.00 0.00 39.78 39.00 1x5k n ASN 100 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1x5k n SER 101 N -1.37 -0.03 0.00 0.53 7.64 -1.26 -1.22 113.62 117.91 1x5k n SER 101 Ca -0.13 1.38 0.00 0.00 1.01 0.00 0.00 58.87 61.13 1x5k n SER 101 Cb 0.51 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 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 -5.11 0.00 0.00 1.43 4.76 -1.26 -5.05 118.16 112.93 1x5k n LYS 102 Ca 0.21 0.48 0.00 0.00 -2.87 0.00 0.00 58.31 56.13 1x5k n LYS 102 Cb 0.70 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 32.48 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 -0.55 1.64 3.92 0.72 0.00 -0.36 -5.08 105.19 105.49 1x5k n GLY 103 Ca 0.00 -0.36 -0.22 0.00 0.00 0.00 0.00 46.02 45.44 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 1.86 2.44 0.00 1.61 -1.94 -1.26 0.14 119.30 122.14 1x5k s MET 104 Ca 0.00 -1.67 0.00 0.00 -1.71 0.00 0.00 55.69 52.31 1x5k s MET 104 Cb 0.00 -2.38 0.00 0.00 2.01 0.00 0.00 34.83 34.46 1x5k s MET 104 CO 0.00 -0.44 0.00 0.41 -0.01 0.00 0.00 175.02 174.98 1x5k n GLY 105 N -1.76 6.18 3.77 -0.03 0.00 -0.86 -4.69 105.19 107.80 1x5k n GLY 105 Ca 0.05 -1.91 -0.33 0.00 0.00 0.00 0.00 46.02 43.82 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 1.61 2.89 -0.09 1.61 0.04 -1.25 -4.91 135.00 134.89 1x5k s PRO 106 Ca 0.00 1.42 -0.15 0.00 0.04 0.00 0.00 61.00 62.31 1x5k s PRO 106 Cb 0.00 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 1x5k s PRO 106 CO 0.00 -1.19 0.38 -1.64 0.04 0.00 0.00 177.00 174.59 1x5k s MET 107 N -3.98 4.14 0.78 4.56 -1.94 -1.26 -4.62 119.30 116.98 1x5k s MET 107 Ca 0.68 0.29 -0.11 0.00 -1.71 0.00 0.00 55.69 54.84 1x5k s MET 107 Cb -0.21 -3.35 0.06 0.00 2.01 0.00 0.00 34.83 33.34 1x5k s MET 107 CO 0.39 0.38 1.09 -1.54 -0.01 0.00 0.00 175.02 175.33 1x5k s SER 108 N -0.05 4.58 1.06 3.03 1.04 -1.21 -5.01 113.70 117.14 1x5k s SER 108 Ca 0.22 1.43 -0.14 0.00 0.48 0.00 0.00 55.95 57.94 1x5k s SER 108 Cb -0.15 -2.19 0.16 0.00 0.10 0.00 0.00 66.02 63.95 1x5k s SER 108 CO 0.09 -1.93 0.67 -1.84 0.98 0.00 0.00 173.24 171.21 1x5k n GLU 109 N -3.42 -1.36 -2.93 4.02 0.00 -1.26 -4.73 120.64 110.95 1x5k n GLU 109 Ca 0.07 -0.36 -0.42 0.00 0.00 0.00 0.00 57.16 56.45 1x5k n GLU 109 Cb 0.55 -2.03 -0.05 0.00 0.00 0.00 0.00 31.44 29.91 1x5k n GLU 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1x5k s ALA 110 N -2.41 3.38 -0.57 -1.84 0.00 -1.26 -4.67 121.76 114.39 1x5k s ALA 110 Ca 0.63 -0.72 -0.26 0.00 0.00 0.00 0.00 51.96 51.60 1x5k s ALA 110 Cb -0.21 -3.42 0.04 0.00 0.00 0.00 0.00 23.12 19.53 1x5k s ALA 110 CO 0.64 -1.64 1.07 0.08 0.00 0.00 0.00 175.76 175.92 1x5k s VAL 111 N 3.23 4.19 -0.66 0.00 1.01 -0.64 -4.83 120.40 122.70 1x5k s VAL 111 Ca 0.32 0.62 -0.27 0.00 0.00 0.00 0.00 61.98 62.64 1x5k s VAL 111 Cb -0.13 -4.64 0.02 0.00 0.00 0.00 0.00 36.38 31.64 1x5k s VAL 111 CO 0.19 -1.23 1.31 -1.58 0.00 0.00 0.00 175.10 173.78 1x5k s GLN 112 N 4.48 3.26 -0.27 2.72 0.74 -1.26 -2.26 119.66 127.08 1x5k s GLN 112 Ca 0.37 0.04 0.00 0.00 0.05 0.00 0.00 55.36 55.82 1x5k s GLN 112 Cb -0.10 -4.14 0.05 0.00 1.10 0.00 0.00 33.01 29.92 1x5k s GLN 112 CO 0.23 -2.03 -0.06 0.12 -0.55 0.00 0.00 175.29 173.00 1x5k s PHE 113 N 5.75 3.22 -0.06 1.67 5.36 -0.66 -4.96 117.98 128.30 1x5k s PHE 113 Ca 0.41 -2.02 -0.30 0.00 -0.96 0.00 0.00 56.93 54.07 1x5k s PHE 113 Cb -0.08 -2.02 -0.04 0.00 -0.34 0.00 0.00 43.02 40.53 1x5k s PHE 113 CO 0.20 -0.83 1.43 0.50 -1.46 0.00 0.00 175.22 175.06 1x5k s ARG 114 N 1.20 4.24 0.50 10.12 3.52 -1.26 -3.59 118.95 133.68 1x5k s ARG 114 Ca -0.06 1.93 -0.23 0.00 -0.13 0.00 0.00 55.73 57.25 1x5k s ARG 114 Cb -0.19 -3.75 -0.07 0.00 -1.56 0.00 0.00 34.95 29.38 1x5k s ARG 114 CO -0.04 -0.69 1.30 0.25 -0.81 0.00 0.00 175.30 175.32 1x5k n THR 115 N 5.10 3.33 -0.19 4.11 -2.24 -1.20 -4.98 114.28 118.21 1x5k n THR 115 Ca 0.14 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 1x5k n THR 115 Cb 0.44 -1.60 0.00 0.00 -2.10 0.00 0.00 70.33 67.07 1x5k n THR 115 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1x5k n PRO 116 N -0.61 0.22 -4.06 -0.78 -0.04 -1.26 -3.61 135.00 124.85 1x5k n PRO 116 Ca 0.09 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.42 1x5k n PRO 116 Cb 0.43 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.77 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 -1.16 0.49 -0.24 0.54 -0.14 -1.26 -3.50 119.74 114.47 1x5k s LYS 117 Ca 0.00 -0.67 -0.29 0.00 -1.36 0.00 0.00 55.97 53.65 1x5k s LYS 117 Cb 0.00 -0.27 -0.02 0.00 -1.68 0.00 0.00 37.83 35.86 1x5k s LYS 117 CO 0.00 0.05 1.62 0.00 -0.76 0.00 0.00 175.35 176.25 1x5k s ALA 118 N -1.22 3.22 0.57 5.17 0.00 -1.26 -4.95 121.76 123.29 1x5k s ALA 118 Ca -0.09 0.41 0.06 0.00 0.00 0.00 0.00 51.96 52.34 1x5k s ALA 118 Cb -0.09 -3.87 0.06 0.00 0.00 0.00 0.00 23.12 19.22 1x5k s ALA 118 CO 0.00 -2.03 0.53 0.43 0.00 0.00 0.00 175.76 174.68 1x5k n SER 119 N 8.63 2.65 -3.19 0.00 7.64 -1.26 -5.10 113.62 122.99 1x5k n SER 119 Ca 0.19 -2.85 -0.23 0.00 1.01 0.00 0.00 58.87 56.99 1x5k n SER 119 Cb 0.46 -0.14 -0.06 0.00 -1.01 0.00 0.00 64.21 63.45 1x5k n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5k n GLY 120 N -1.93 2.94 3.67 0.23 0.00 -1.26 -5.11 105.19 103.73 1x5k n GLY 120 Ca 0.03 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.33 4.23 0.59 1.61 0.04 -1.26 -4.98 135.00 133.90 1x5k s PRO 121 Ca 0.36 2.02 -0.20 0.00 0.04 0.00 0.00 61.00 63.22 1x5k s PRO 121 Cb 0.20 -3.77 -0.04 0.00 0.04 0.00 0.00 34.50 30.93 1x5k s PRO 121 CO -0.11 -0.72 1.24 0.45 0.04 0.00 0.00 177.00 177.91 1x5k n SER 122 N 6.30 2.00 -4.54 6.66 2.88 -1.26 -4.96 113.62 120.70 1x5k n SER 122 Ca 0.15 0.89 -0.41 0.00 -1.33 0.00 0.00 58.87 58.17 1x5k n SER 122 Cb 0.43 -1.52 -0.09 0.00 -0.75 0.00 0.00 64.21 62.28 1x5k n SER 122 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x5k s SER 123 N -1.16 6.19 0.00 -3.46 0.15 -1.26 -5.33 113.70 108.83 1x5k s SER 123 Ca 0.77 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 57.20 1x5k s SER 123 Cb -0.41 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1x5k s SER 123 CO 0.45 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 175.15