#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5k h SER 2 N 0.00 0.00 -6.03 1.61 0.02 -2.09 -3.48 113.55 103.58 1x5k h SER 2 Ca 0.00 -0.23 -0.42 0.00 -0.84 0.00 0.00 61.79 60.30 1x5k h SER 2 Cb 0.00 0.00 0.07 0.00 0.14 0.00 0.00 62.40 62.61 1x5k h SER 2 CO 0.00 0.94 -0.74 -0.24 -1.14 0.00 0.00 176.83 175.65 1x5k n SER 3 N -4.59 -4.74 -4.83 3.07 2.88 -1.26 -4.99 113.62 99.16 1x5k n SER 3 Ca -0.13 -0.67 -0.26 0.00 -1.33 0.00 0.00 58.87 56.48 1x5k n SER 3 Cb 0.36 -4.49 -0.04 0.00 -0.75 0.00 0.00 64.21 59.28 1x5k n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x5k s GLY 4 N -3.54 2.40 -0.94 0.46 0.00 -1.26 -5.06 107.32 99.37 1x5k s GLY 4 Ca 0.49 -1.54 -0.17 0.00 0.00 0.00 0.00 44.72 43.50 1x5k s GLY 4 CO 0.78 -1.93 1.09 -0.45 0.00 0.00 0.00 173.10 172.59 1x5k s SER 5 N -4.09 6.72 -0.05 1.64 0.15 -1.26 -4.96 113.70 111.85 1x5k s SER 5 Ca 0.35 -2.30 -0.02 0.00 0.70 0.00 0.00 55.95 54.68 1x5k s SER 5 Cb 0.00 -2.36 0.04 0.00 -1.71 0.00 0.00 66.02 61.99 1x5k s SER 5 CO 0.20 -0.92 0.09 -0.44 1.20 0.00 0.00 173.24 173.38 1x5k s SER 6 N 3.22 0.70 -0.23 5.45 0.01 -1.26 -5.11 113.70 116.48 1x5k s SER 6 Ca 0.31 0.17 -0.36 0.00 1.31 0.00 0.00 55.95 57.38 1x5k s SER 6 Cb -0.06 0.02 -0.12 0.00 0.21 0.00 0.00 66.02 66.07 1x5k s SER 6 CO -0.08 -0.21 1.97 0.61 0.41 0.00 0.00 173.24 175.93 1x5k n GLY 7 N 4.98 0.98 3.58 3.44 0.00 -1.26 -4.88 105.19 112.03 1x5k n GLY 7 Ca -0.11 0.90 -0.43 0.00 0.00 0.00 0.00 46.02 46.39 1x5k n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x5k s THR 8 N 5.25 4.13 -0.56 2.61 2.01 -1.26 -4.91 115.64 122.91 1x5k s THR 8 Ca 1.00 0.95 -0.03 0.00 0.31 0.00 0.00 61.69 63.92 1x5k s THR 8 Cb -0.82 -4.66 0.19 0.00 0.01 0.00 0.00 72.50 67.22 1x5k s THR 8 CO 0.53 -1.20 2.43 0.00 -0.69 0.00 0.00 174.62 175.70 1x5k n ALA 9 N 8.12 6.30 -3.59 7.40 0.00 -1.26 -4.89 120.51 132.59 1x5k n ALA 9 Ca 0.09 -3.18 -0.05 0.00 0.00 0.00 0.00 53.44 50.30 1x5k n ALA 9 Cb 0.49 -1.98 -0.02 0.00 0.00 0.00 0.00 19.45 17.94 1x5k n ALA 9 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1x5k s HIS 10 N -2.50 -0.18 -0.33 0.00 5.65 -1.26 -5.13 115.29 111.53 1x5k s HIS 10 Ca 0.54 0.07 -0.20 0.00 0.25 0.00 0.00 55.06 55.72 1x5k s HIS 10 Cb 0.39 0.54 -0.00 0.00 -1.18 0.00 0.00 32.58 32.33 1x5k s HIS 10 CO -0.23 -0.39 0.62 0.20 -0.65 0.00 0.00 174.74 174.30 1x5k s GLY 11 N -2.48 1.77 0.07 1.59 0.00 -1.26 -5.00 107.32 102.01 1x5k s GLY 11 Ca 0.09 -0.77 -0.27 0.00 0.00 0.00 0.00 44.72 43.77 1x5k s GLY 11 CO -0.05 1.46 0.64 2.41 0.00 0.00 0.00 173.10 177.55 1x5k n THR 12 N 5.48 0.73 0.93 0.90 -1.04 -1.26 -4.81 114.28 115.21 1x5k n THR 12 Ca -0.01 -0.18 0.13 0.00 -2.04 0.00 0.00 64.05 61.95 1x5k n THR 12 Cb 0.49 0.00 0.51 0.00 -1.82 0.00 0.00 70.33 69.50 1x5k n THR 12 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1x5k n THR 13 N 0.63 0.10 -3.15 12.58 -2.24 -1.26 -4.74 114.28 116.20 1x5k n THR 13 Ca 0.15 -0.05 0.05 0.00 -2.27 0.00 0.00 64.05 61.93 1x5k n THR 13 Cb 0.13 -0.37 -0.02 0.00 -2.10 0.00 0.00 70.33 67.97 1x5k n THR 13 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1x5k s PHE 14 N -3.02 -0.42 1.08 4.78 5.36 -1.26 -5.17 117.98 119.33 1x5k s PHE 14 Ca 0.13 0.42 -0.12 0.00 -0.96 0.00 0.00 56.93 56.40 1x5k s PHE 14 Cb 0.18 0.14 0.22 0.00 -0.34 0.00 0.00 43.02 43.22 1x5k s PHE 14 CO 0.58 -0.23 0.98 0.39 -1.46 0.00 0.00 175.22 175.48 1x5k n GLU 15 N 5.44 -1.67 -3.97 10.12 -0.58 -1.26 -5.02 120.64 123.70 1x5k n GLU 15 Ca -0.06 -0.45 -0.31 0.00 -0.42 0.00 0.00 57.16 55.93 1x5k n GLU 15 Cb 0.54 -2.20 -0.16 0.00 -0.57 0.00 0.00 31.44 29.06 1x5k n GLU 15 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1x5k s LEU 16 N -6.47 2.66 0.71 -4.62 2.01 -1.26 -5.09 118.68 106.61 1x5k s LEU 16 Ca 0.67 -1.17 -0.16 0.00 0.01 0.00 0.00 54.13 53.48 1x5k s LEU 16 Cb -0.24 -1.24 -0.04 0.00 0.01 0.00 0.00 46.19 44.68 1x5k s LEU 16 CO 0.63 -0.22 0.54 1.33 1.01 0.00 0.00 176.35 179.65 1x5k n VAL 17 N 4.64 1.85 -2.04 -1.59 0.24 -1.26 -3.51 118.33 116.65 1x5k n VAL 17 Ca -0.13 -0.40 -0.32 0.00 -2.04 0.00 0.00 64.34 61.45 1x5k n VAL 17 Cb 0.44 -0.75 -0.04 0.00 -1.47 0.00 0.00 33.84 32.02 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 -2.73 2.58 0.00 7.34 0.04 -1.26 -4.80 135.00 136.18 1x5k s PRO 18 Ca 0.66 0.15 0.06 0.00 0.04 0.00 0.00 61.00 61.91 1x5k s PRO 18 Cb -0.36 -4.74 0.35 0.00 0.04 0.00 0.00 34.50 29.79 1x5k s PRO 18 CO 0.57 -3.07 1.07 0.25 0.04 0.00 0.00 177.00 175.87 1x5k n THR 19 N 7.56 0.00 -5.01 1.26 -2.24 -1.26 -3.94 114.28 110.66 1x5k n THR 19 Ca 0.31 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.76 1x5k n THR 19 Cb 0.49 -0.19 -0.14 0.00 -2.10 0.00 0.00 70.33 68.39 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 -1.35 3.70 0.90 3.42 0.15 -1.26 -4.64 113.70 114.62 1x5k s SER 20 Ca 0.09 -0.32 -0.12 0.00 0.70 0.00 0.00 55.95 56.31 1x5k s SER 20 Cb 0.04 -0.88 0.13 0.00 -1.71 0.00 0.00 66.02 63.61 1x5k s SER 20 CO 0.07 0.30 1.09 -2.16 1.20 0.00 0.00 173.24 173.74 1x5k s PRO 21 N -0.45 1.22 0.89 5.44 0.04 -1.26 -4.73 135.00 136.14 1x5k s PRO 21 Ca 0.05 0.81 -0.11 0.00 0.04 0.00 0.00 61.00 61.78 1x5k s PRO 21 Cb -0.12 -1.81 0.12 0.00 0.04 0.00 0.00 34.50 32.74 1x5k s PRO 21 CO 0.02 -2.27 1.09 -1.25 0.04 0.00 0.00 177.00 174.63 1x5k s PRO 22 N -4.94 1.32 0.46 0.56 0.04 -1.26 -4.39 135.00 126.79 1x5k s PRO 22 Ca 0.63 0.83 0.03 0.00 0.04 0.00 0.00 61.00 62.54 1x5k s PRO 22 Cb -0.18 -1.81 -0.01 0.00 0.04 0.00 0.00 34.50 32.53 1x5k s PRO 22 CO 0.57 -2.20 0.10 0.15 0.04 0.00 0.00 177.00 175.65 1x5k s LYS 23 N -4.94 2.08 -1.38 4.56 1.02 -0.67 -4.80 119.74 115.61 1x5k s LYS 23 Ca 0.63 -2.31 -0.11 0.00 0.02 0.00 0.00 55.97 54.20 1x5k s LYS 23 Cb -0.18 -0.88 0.08 0.00 -0.52 0.00 0.00 37.83 36.34 1x5k s LYS 23 CO 0.57 -0.50 0.60 -3.47 -0.92 0.00 0.00 175.35 171.63 1x5k n ASP 24 N -1.42 -3.89 -4.60 2.83 2.03 -1.26 -1.17 116.55 109.07 1x5k n ASP 24 Ca -0.11 -0.52 -0.43 0.00 0.52 0.00 0.00 54.79 54.24 1x5k n ASP 24 Cb 0.65 -3.19 -0.03 0.00 -0.72 0.00 0.00 41.12 37.83 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 -3.03 3.50 0.02 5.18 1.01 -1.26 -3.74 120.40 122.07 1x5k s VAL 25 Ca 0.48 0.51 0.01 0.00 0.00 0.00 0.00 61.98 62.98 1x5k s VAL 25 Cb -0.25 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 1x5k s VAL 25 CO 0.59 -0.41 -0.04 0.42 0.00 0.00 0.00 175.10 175.66 1x5k s THR 26 N 6.72 0.26 -0.20 3.92 -4.23 -0.10 -5.02 115.64 116.99 1x5k s THR 26 Ca 0.79 -0.80 -0.01 0.00 -1.18 0.00 0.00 61.69 60.48 1x5k s THR 26 Cb -0.23 -0.35 0.06 0.00 1.34 0.00 0.00 72.50 73.32 1x5k s THR 26 CO 0.34 -0.36 -0.00 -0.69 -0.54 0.00 0.00 174.62 173.37 1x5k s VAL 27 N -1.16 0.89 0.33 2.29 1.01 -1.26 -0.53 120.40 121.98 1x5k s VAL 27 Ca -0.11 -0.73 0.08 0.00 0.00 0.00 0.00 61.98 61.22 1x5k s VAL 27 Cb -0.08 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 1x5k s VAL 27 CO -0.00 -0.11 0.17 0.68 0.00 0.00 0.00 175.10 175.84 1x5k s VAL 28 N 1.70 3.21 0.14 2.92 -7.23 0.15 -4.99 120.40 116.30 1x5k s VAL 28 Ca -0.02 -1.62 0.05 0.00 -1.81 0.00 0.00 61.98 58.58 1x5k s VAL 28 Cb -0.17 -3.04 -0.04 0.00 0.56 0.00 0.00 36.38 33.69 1x5k s VAL 28 CO -0.07 -0.19 0.09 -0.94 -0.31 0.00 0.00 175.10 173.67 1x5k s SER 29 N -3.87 5.35 0.35 4.85 1.04 -1.26 -0.15 113.70 120.01 1x5k s SER 29 Ca 0.38 -0.15 -0.15 0.00 0.48 0.00 0.00 55.95 56.50 1x5k s SER 29 Cb -0.04 -1.36 -0.09 0.00 0.10 0.00 0.00 66.02 64.64 1x5k s SER 29 CO 0.24 0.10 0.78 -0.75 0.98 0.00 0.00 173.24 174.58 1x5k s LYS 30 N -2.85 4.01 -0.10 4.02 2.47 0.80 -4.74 119.74 123.36 1x5k s LYS 30 Ca 0.29 0.72 -0.04 0.00 -1.56 0.00 0.00 55.97 55.38 1x5k s LYS 30 Cb -0.11 -2.38 -0.01 0.00 -1.46 0.00 0.00 37.83 33.87 1x5k s LYS 30 CO 0.22 0.10 -0.09 1.49 0.16 0.00 0.00 175.35 177.23 1x5k h GLU 31 N 2.08 0.00 -1.42 4.03 4.81 -1.94 -3.37 114.58 118.78 1x5k h GLU 31 Ca -0.48 0.00 0.41 0.00 -0.13 0.00 0.00 59.36 59.16 1x5k h GLU 31 Cb 1.18 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.50 1x5k h GLU 31 CO 0.64 0.00 1.01 0.78 -0.73 0.00 0.00 179.01 180.72 1x5k h GLY 32 N -0.82 0.06 -6.23 1.92 0.00 -1.95 -3.38 103.07 92.66 1x5k h GLY 32 Ca 0.00 -0.01 -0.24 0.00 0.00 0.00 0.00 47.33 47.08 1x5k h GLY 32 CO 0.00 -0.01 -0.60 1.25 0.00 0.00 0.00 176.54 177.18 1x5k s LYS 33 N -4.94 0.09 -0.02 4.80 2.36 -1.26 -5.06 119.74 115.71 1x5k s LYS 33 Ca -0.05 0.37 -0.25 0.00 -2.55 0.00 0.00 55.97 53.49 1x5k s LYS 33 Cb 0.24 -0.18 -0.19 0.00 -1.05 0.00 0.00 37.83 36.66 1x5k s LYS 33 CO 0.83 -0.16 1.19 -1.00 1.55 0.00 0.00 175.35 177.76 1x5k h PRO 34 N 7.22 -0.11 0.00 4.03 0.13 -1.75 -3.05 132.00 138.47 1x5k h PRO 34 Ca -0.43 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1x5k h PRO 34 Cb 1.14 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1x5k h PRO 34 CO 0.42 0.33 0.04 0.87 -0.23 0.00 0.00 178.00 179.44 1x5k h LYS 35 N -0.60 0.00 -5.83 0.86 1.57 -1.90 -3.41 116.57 107.26 1x5k h LYS 35 Ca -0.01 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.20 1x5k h LYS 35 Cb 0.49 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.73 1x5k h LYS 35 CO 0.02 0.00 -0.06 0.99 -0.57 0.00 0.00 179.45 179.83 1x5k s THR 36 N -4.04 5.14 0.17 -0.16 2.01 -1.15 -3.95 115.64 113.65 1x5k s THR 36 Ca -0.04 1.12 0.03 0.00 0.31 0.00 0.00 61.69 63.11 1x5k s THR 36 Cb 0.11 -3.89 -0.05 0.00 0.01 0.00 0.00 72.50 68.69 1x5k s THR 36 CO 0.36 0.30 -0.06 0.27 -0.69 0.00 0.00 174.62 174.80 1x5k s ILE 37 N 0.70 1.00 -0.12 1.82 -4.36 -0.13 -0.14 121.20 119.97 1x5k s ILE 37 Ca 0.30 -2.03 -0.00 0.00 -0.26 0.00 0.00 60.65 58.66 1x5k s ILE 37 Cb -0.16 -2.00 0.02 0.00 1.25 0.00 0.00 42.46 41.57 1x5k s ILE 37 CO 0.13 -0.61 -0.10 -0.63 0.24 0.00 0.00 174.94 173.97 1x5k s ILE 38 N -3.44 1.19 -0.31 8.37 1.09 0.79 -1.62 121.20 127.27 1x5k s ILE 38 Ca 0.20 -0.40 -0.13 0.00 -1.10 0.00 0.00 60.65 59.23 1x5k s ILE 38 Cb 0.04 -1.17 -0.03 0.00 -1.06 0.00 0.00 42.46 40.24 1x5k s ILE 38 CO 0.03 0.39 0.26 -0.69 -0.10 0.00 0.00 174.94 174.83 1x5k s VAL 39 N 1.59 5.26 0.09 2.92 1.01 -0.95 -0.67 120.40 129.66 1x5k s VAL 39 Ca 0.04 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.11 1x5k s VAL 39 Cb -0.13 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 1x5k s VAL 39 CO -0.08 0.09 0.15 0.20 0.00 0.00 0.00 175.10 175.45 1x5k s ASN 40 N 1.73 5.86 0.18 3.32 -0.87 0.32 -2.48 114.94 122.99 1x5k s ASN 40 Ca 0.08 0.08 -0.23 0.00 -1.57 0.00 0.00 52.86 51.22 1x5k s ASN 40 Cb -0.17 -1.67 0.08 0.00 -0.02 0.00 0.00 41.25 39.48 1x5k s ASN 40 CO 0.11 0.14 1.04 -1.66 -2.57 0.00 0.00 177.10 174.16 1x5k s TRP 41 N -1.52 0.05 0.06 2.20 -2.14 -0.78 -0.92 118.94 115.89 1x5k s TRP 41 Ca 0.32 -0.43 -0.06 0.00 2.66 0.00 0.00 56.10 58.59 1x5k s TRP 41 Cb -0.12 0.69 -0.01 0.00 -3.10 0.00 0.00 33.47 30.93 1x5k s TRP 41 CO 0.25 -0.90 0.10 -0.65 -2.66 0.00 0.00 176.95 173.09 1x5k s GLN 42 N -2.29 0.68 0.62 3.25 -0.21 -0.32 -4.78 119.66 116.62 1x5k s GLN 42 Ca 0.21 -0.91 -0.17 0.00 0.02 0.00 0.00 55.36 54.51 1x5k s GLN 42 Cb -0.02 0.27 -0.02 0.00 1.00 0.00 0.00 33.01 34.23 1x5k s GLN 42 CO 0.05 -0.18 1.12 -1.25 -2.12 0.00 0.00 175.29 172.90 1x5k s PRO 43 N -3.30 3.01 0.45 2.91 0.04 -1.26 -1.67 135.00 135.18 1x5k s PRO 43 Ca 0.01 1.47 -0.23 0.00 0.04 0.00 0.00 61.00 62.29 1x5k s PRO 43 Cb 0.03 -1.97 -0.08 0.00 0.04 0.00 0.00 34.50 32.52 1x5k s PRO 43 CO -0.08 -1.10 1.17 -1.25 0.04 0.00 0.00 177.00 175.78 1x5k s PRO 44 N -3.80 3.79 0.57 0.56 0.04 -1.26 -4.53 135.00 130.37 1x5k s PRO 44 Ca 0.69 1.79 0.33 0.00 0.04 0.00 0.00 61.00 63.85 1x5k s PRO 44 Cb -0.22 -2.44 1.71 0.00 0.04 0.00 0.00 34.50 33.59 1x5k s PRO 44 CO 0.36 -0.53 2.15 1.03 0.04 0.00 0.00 177.00 180.06 1x5k h SER 45 N 2.12 0.00 -1.92 6.66 0.87 -1.95 -3.11 113.55 116.23 1x5k h SER 45 Ca -0.49 0.00 -0.78 0.00 -1.23 0.00 0.00 61.79 59.29 1x5k h SER 45 Cb 1.25 0.00 -0.23 0.00 -0.44 0.00 0.00 62.40 62.97 1x5k h SER 45 CO 0.60 0.06 1.35 -0.62 -0.53 0.00 0.00 176.83 177.70 1x5k n GLU 46 N -3.46 4.89 -1.44 2.24 -0.58 -1.26 -4.86 120.64 116.17 1x5k n GLU 46 Ca -0.02 -4.19 -0.39 0.00 -0.42 0.00 0.00 57.16 52.14 1x5k n GLU 46 Cb 0.19 -2.48 -0.02 0.00 -0.57 0.00 0.00 31.44 28.56 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 0.36 7.37 -0.34 0.62 0.00 -1.18 -4.66 120.51 122.69 1x5k n ALA 47 Ca 0.51 -3.64 0.29 0.00 0.00 0.00 0.00 53.44 50.61 1x5k n ALA 47 Cb 0.26 -3.29 0.49 0.00 0.00 0.00 0.00 19.45 16.91 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 3.39 0.15 -0.81 0.00 3.02 -1.26 -4.46 115.26 115.30 1x5k n ASN 48 Ca 0.75 1.00 0.00 0.00 -0.03 0.00 0.00 54.58 56.30 1x5k n ASN 48 Cb 0.24 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.92 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 -1.37 5.78 3.72 7.41 0.00 -1.23 -4.70 105.19 114.79 1x5k n GLY 49 Ca 0.29 -1.97 -0.35 0.00 0.00 0.00 0.00 46.02 43.99 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 -0.39 3.90 0.13 1.61 2.20 -1.26 -5.03 119.74 120.89 1x5k s LYS 50 Ca 0.00 -0.27 -0.27 0.00 -0.36 0.00 0.00 55.97 55.08 1x5k s LYS 50 Cb 0.00 -3.26 -0.07 0.00 -1.51 0.00 0.00 37.83 32.99 1x5k s LYS 50 CO 0.00 0.40 0.84 0.42 -0.36 0.00 0.00 175.35 176.65 1x5k s ILE 51 N 0.04 4.46 -0.10 5.43 -1.09 -1.26 -4.46 121.20 124.21 1x5k s ILE 51 Ca 0.08 1.82 0.08 0.00 -2.23 0.00 0.00 60.65 60.40 1x5k s ILE 51 Cb -0.12 -4.20 -0.12 0.00 -1.58 0.00 0.00 42.46 36.44 1x5k s ILE 51 CO 0.00 0.43 0.02 0.35 -1.23 0.00 0.00 174.94 174.51 1x5k n THR 52 N 2.18 0.71 -3.92 2.92 -2.24 -1.16 -4.99 114.28 107.77 1x5k n THR 52 Ca -0.03 -0.42 -0.02 0.00 -2.27 0.00 0.00 64.05 61.32 1x5k n THR 52 Cb 0.49 -0.75 0.02 0.00 -2.10 0.00 0.00 70.33 67.99 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 2.42 0.52 3.13 3.38 0.00 -1.21 -3.53 105.19 109.90 1x5k n GLY 53 Ca -0.17 -1.13 -0.08 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.11 0.55 -0.08 1.61 1.51 -1.24 -3.00 117.35 114.59 1x5k s TYR 54 Ca 0.24 -1.04 -0.02 0.00 -1.01 0.00 0.00 57.07 55.24 1x5k s TYR 54 Cb -0.02 -0.36 0.04 0.00 -0.11 0.00 0.00 41.96 41.50 1x5k s TYR 54 CO 0.04 -0.44 0.05 0.42 -1.11 0.00 0.00 175.55 174.51 1x5k s ILE 55 N -3.94 0.07 0.09 2.71 1.01 -1.18 0.06 121.20 120.02 1x5k s ILE 55 Ca 0.11 0.17 -0.07 0.00 0.00 0.00 0.00 60.65 60.86 1x5k s ILE 55 Cb 0.07 -0.40 -0.05 0.00 0.01 0.00 0.00 42.46 42.09 1x5k s ILE 55 CO -0.07 0.09 0.36 -0.63 0.00 0.00 0.00 174.94 174.68 1x5k s ILE 56 N 2.09 5.18 -0.12 2.92 1.01 0.09 -3.79 121.20 128.58 1x5k s ILE 56 Ca 0.04 0.18 -0.01 0.00 0.00 0.00 0.00 60.65 60.86 1x5k s ILE 56 Cb -0.13 -3.62 0.03 0.00 0.01 0.00 0.00 42.46 38.75 1x5k s ILE 56 CO -0.05 0.19 -0.07 -0.31 0.00 0.00 0.00 174.94 174.70 1x5k s TYR 57 N -1.50 1.48 0.11 3.97 1.51 -0.37 -0.54 117.35 122.01 1x5k s TYR 57 Ca 0.35 -0.78 0.10 0.00 -1.01 0.00 0.00 57.07 55.73 1x5k s TYR 57 Cb -0.13 -1.23 -0.04 0.00 -0.11 0.00 0.00 41.96 40.46 1x5k s TYR 57 CO 0.21 -0.53 -0.26 1.52 -1.11 0.00 0.00 175.55 175.38 1x5k s TYR 58 N 1.71 2.26 -0.23 2.71 -0.85 -1.25 -0.96 117.35 120.74 1x5k s TYR 58 Ca 0.04 -0.39 -0.28 0.00 -0.52 0.00 0.00 57.07 55.92 1x5k s TYR 58 Cb -0.13 -1.26 0.15 0.00 0.38 0.00 0.00 41.96 41.09 1x5k s TYR 58 CO -0.08 0.27 1.13 -1.12 -1.52 0.00 0.00 175.55 174.24 1x5k s SER 59 N -1.83 -0.28 0.27 -0.18 0.01 -0.98 -3.21 113.70 107.51 1x5k s SER 59 Ca 0.13 0.38 0.24 0.00 1.31 0.00 0.00 55.95 58.01 1x5k s SER 59 Cb -0.10 0.34 0.99 0.00 0.21 0.00 0.00 66.02 67.46 1x5k s SER 59 CO 0.05 -0.20 1.73 0.35 0.41 0.00 0.00 173.24 175.57 1x5k n THR 60 N 1.09 0.81 -3.61 1.44 -2.24 -1.26 -3.27 114.28 107.23 1x5k n THR 60 Ca -0.09 0.20 -0.38 0.00 -2.27 0.00 0.00 64.05 61.52 1x5k n THR 60 Cb 0.58 -1.14 -0.11 0.00 -2.10 0.00 0.00 70.33 67.56 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 -4.32 5.95 0.00 3.42 1.01 -1.26 -4.88 116.67 116.59 1x5k s ASP 61 Ca 0.04 -0.01 0.25 0.00 0.71 0.00 0.00 52.55 53.54 1x5k s ASP 61 Cb 0.09 -2.10 1.08 0.00 1.01 0.00 0.00 42.92 43.00 1x5k s ASP 61 CO 0.41 -0.03 1.74 0.55 0.21 0.00 0.00 175.17 178.04 1x5k n VAL 62 N 4.95 0.08 0.00 -1.27 3.14 -1.26 -3.67 118.33 120.30 1x5k n VAL 62 Ca -0.14 -0.21 0.00 0.00 -2.96 0.00 0.00 64.34 61.02 1x5k n VAL 62 Cb 0.52 0.20 0.00 0.00 -1.06 0.00 0.00 33.84 33.50 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 -0.08 3.66 -4.53 6.55 3.02 -1.26 -5.06 115.26 117.56 1x5k n ASN 63 Ca 0.18 -0.10 -0.45 0.00 -0.03 0.00 0.00 54.58 54.18 1x5k n ASN 63 Cb 0.27 0.93 -0.02 0.00 -0.61 0.00 0.00 39.78 40.36 1x5k n ASN 63 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x5k n ALA 64 N -1.30 -1.06 -1.55 5.41 0.00 -1.24 -4.74 120.51 116.04 1x5k n ALA 64 Ca 0.00 0.38 -0.57 0.00 0.00 0.00 0.00 53.44 53.24 1x5k n ALA 64 Cb 0.00 -1.89 -0.07 0.00 0.00 0.00 0.00 19.45 17.49 1x5k n ALA 64 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1x5k n GLU 65 N 0.77 0.38 -0.54 0.00 4.71 -1.26 -4.73 120.64 119.96 1x5k n GLU 65 Ca 0.12 0.14 0.44 0.00 -0.01 0.00 0.00 57.16 57.85 1x5k n GLU 65 Cb 0.31 -1.69 0.76 0.00 -1.01 0.00 0.00 31.44 29.82 1x5k n GLU 65 CO 0.00 0.00 0.00 0.97 0.09 0.00 0.00 177.13 178.19 1x5k h ILE 66 N 3.26 0.15 0.00 -3.67 6.09 -1.98 1.86 117.51 123.21 1x5k h ILE 66 Ca -0.50 -0.01 -0.24 0.00 -1.37 0.00 0.00 64.86 62.75 1x5k h ILE 66 Cb 1.40 0.12 -0.04 0.00 0.47 0.00 0.00 36.82 38.76 1x5k h ILE 66 CO 0.71 0.01 -1.24 1.12 -3.07 0.00 0.00 178.15 175.68 1x5k h HIS 67 N 0.03 0.00 -0.06 2.19 2.07 -2.00 -3.28 115.15 114.10 1x5k h HIS 67 Ca 0.81 0.00 0.02 0.00 -2.85 0.00 0.00 60.37 58.35 1x5k h HIS 67 Cb 3.08 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 33.05 1x5k h HIS 67 CO -0.00 0.99 0.06 -0.44 -3.07 0.00 0.00 177.93 175.46 1x5k h ASP 68 N 0.00 0.00 -4.20 3.10 5.19 0.26 -3.43 116.42 117.35 1x5k h ASP 68 Ca -0.11 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 55.77 1x5k h ASP 68 Cb 1.84 0.00 0.16 0.00 0.18 0.00 0.00 39.33 41.51 1x5k h ASP 68 CO 0.11 0.00 0.37 0.26 -3.12 0.00 0.00 179.24 176.86 1x5k s TRP 69 N -4.80 2.03 0.43 4.55 0.52 -1.05 -4.98 118.94 115.65 1x5k s TRP 69 Ca -0.05 1.62 -0.23 0.00 0.02 0.00 0.00 56.10 57.46 1x5k s TRP 69 Cb 0.16 -3.43 -0.09 0.00 -1.15 0.00 0.00 33.47 28.96 1x5k s TRP 69 CO 0.60 -2.58 1.06 0.54 0.02 0.00 0.00 176.95 176.59 1x5k s VAL 70 N -2.12 3.66 -0.28 4.03 0.11 -1.20 -4.95 120.40 119.67 1x5k s VAL 70 Ca 0.73 1.21 -0.12 0.00 -2.93 0.00 0.00 61.98 60.87 1x5k s VAL 70 Cb -0.28 -3.59 -0.05 0.00 -1.53 0.00 0.00 36.38 30.93 1x5k s VAL 70 CO 0.47 -0.05 0.23 -0.63 -3.33 0.00 0.00 175.10 171.79 1x5k s ILE 71 N -1.72 5.28 -0.56 7.04 1.01 -1.26 -3.77 121.20 127.22 1x5k s ILE 71 Ca 0.61 0.26 0.04 0.00 0.00 0.00 0.00 60.65 61.56 1x5k s ILE 71 Cb -0.21 -3.57 0.15 0.00 0.01 0.00 0.00 42.46 38.84 1x5k s ILE 71 CO 0.27 0.23 0.35 -1.61 0.00 0.00 0.00 174.94 174.18 1x5k s GLU 72 N 1.80 1.88 0.51 2.79 8.01 0.29 -4.99 118.70 128.99 1x5k s GLU 72 Ca 0.09 -2.70 -0.21 0.00 0.01 0.00 0.00 54.97 52.16 1x5k s GLU 72 Cb -0.16 -2.91 -0.06 0.00 -4.31 0.00 0.00 34.13 26.69 1x5k s GLU 72 CO 0.11 -1.22 1.14 -1.25 0.01 0.00 0.00 175.26 174.05 1x5k s PRO 73 N -0.55 3.52 -0.19 0.39 0.04 -1.26 -0.73 135.00 136.22 1x5k s PRO 73 Ca 0.22 1.67 0.01 0.00 0.04 0.00 0.00 61.00 62.94 1x5k s PRO 73 Cb -0.14 -2.16 0.02 0.00 0.04 0.00 0.00 34.50 32.26 1x5k s PRO 73 CO -0.09 -0.73 -0.19 0.08 0.04 0.00 0.00 177.00 176.12 1x5k s VAL 74 N -1.68 2.08 0.71 -0.36 1.01 0.11 -4.92 120.40 117.34 1x5k s VAL 74 Ca 0.69 -1.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.55 1x5k s VAL 74 Cb -0.26 -1.90 0.02 0.00 0.00 0.00 0.00 36.38 34.24 1x5k s VAL 74 CO 0.30 0.48 1.09 0.68 0.00 0.00 0.00 175.10 177.65 1x5k s VAL 75 N 1.27 3.54 -1.30 2.92 -7.23 -1.26 -3.61 120.40 114.73 1x5k s VAL 75 Ca 0.04 0.50 -0.08 0.00 -1.81 0.00 0.00 61.98 60.63 1x5k s VAL 75 Cb -0.14 -3.46 0.06 0.00 0.56 0.00 0.00 36.38 33.40 1x5k s VAL 75 CO -0.12 -0.65 0.47 0.61 -0.31 0.00 0.00 175.10 175.09 1x5k n GLY 76 N -2.86 -0.49 3.91 2.32 0.00 -1.26 -2.19 105.19 104.62 1x5k n GLY 76 Ca 0.07 0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.28 -1.04 -4.68 1.61 6.94 -1.23 -4.80 115.26 109.78 1x5k n ASN 77 Ca -0.04 -0.95 -0.43 0.00 -0.02 0.00 0.00 54.58 53.14 1x5k n ASN 77 Cb 0.56 -1.16 -0.02 0.00 -2.36 0.00 0.00 39.78 36.79 1x5k n ASN 77 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 1x5k s ARG 78 N -6.52 4.30 0.00 -3.83 6.06 -0.93 -4.89 118.95 113.14 1x5k s ARG 78 Ca 0.17 1.66 0.23 0.00 -2.50 0.00 0.00 55.73 55.29 1x5k s ARG 78 Cb -0.10 -3.64 1.25 0.00 0.06 0.00 0.00 34.95 32.52 1x5k s ARG 78 CO 0.73 -0.55 1.77 1.28 -2.50 0.00 0.00 175.30 176.03 1x5k n LEU 79 N 5.77 0.00 -3.90 -0.88 4.77 -1.26 -4.70 117.00 116.80 1x5k n LEU 79 Ca 0.12 0.20 -0.14 0.00 -0.03 0.00 0.00 56.01 56.16 1x5k n LEU 79 Cb 0.46 -0.20 -0.15 0.00 -2.33 0.00 0.00 43.42 41.20 1x5k n LEU 79 CO 0.55 -0.05 -0.38 0.28 -1.33 0.00 0.00 177.39 176.46 1x5k s THR 80 N -2.40 0.21 0.19 -5.08 -1.32 -1.26 -1.86 115.64 104.12 1x5k s THR 80 Ca 0.26 -0.09 0.08 0.00 -1.21 0.00 0.00 61.69 60.74 1x5k s THR 80 Cb 0.16 -0.20 -0.05 0.00 -1.51 0.00 0.00 72.50 70.90 1x5k s THR 80 CO 0.33 0.07 -0.16 -2.28 -2.21 0.00 0.00 174.62 170.38 1x5k s HIS 81 N 0.10 1.74 -0.38 9.09 2.46 -1.04 -4.97 115.29 122.29 1x5k s HIS 81 Ca -0.01 -0.54 0.04 0.00 0.47 0.00 0.00 55.06 55.03 1x5k s HIS 81 Cb -0.03 -0.82 0.11 0.00 -0.13 0.00 0.00 32.58 31.70 1x5k s HIS 81 CO -0.00 0.35 0.10 -0.65 -2.47 0.00 0.00 174.74 172.07 1x5k s GLN 82 N -3.38 1.59 -0.28 2.88 -0.21 -1.26 -2.23 119.66 116.77 1x5k s GLN 82 Ca 0.20 -2.05 -0.12 0.00 0.02 0.00 0.00 55.36 53.42 1x5k s GLN 82 Cb -0.02 -3.22 -0.05 0.00 1.00 0.00 0.00 33.01 30.73 1x5k s GLN 82 CO 0.07 -0.98 0.24 0.42 -2.12 0.00 0.00 175.29 172.92 1x5k s ILE 83 N 0.62 5.27 0.28 1.08 1.01 -0.64 -4.93 121.20 123.90 1x5k s ILE 83 Ca 0.12 0.28 0.01 0.00 0.00 0.00 0.00 60.65 61.07 1x5k s ILE 83 Cb -0.21 -3.58 -0.00 0.00 0.01 0.00 0.00 42.46 38.68 1x5k s ILE 83 CO -0.06 0.22 0.03 0.00 0.00 0.00 0.00 174.94 175.13 1x5k n GLN 84 N 5.13 1.06 -3.27 2.79 10.64 -1.26 -0.95 117.38 131.52 1x5k n GLN 84 Ca -0.12 -2.18 -0.15 0.00 -1.83 0.00 0.00 57.00 52.72 1x5k n GLN 84 Cb 0.52 0.80 0.08 0.00 -0.86 0.00 0.00 30.24 30.77 1x5k n GLN 84 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1x5k n GLU 85 N -0.69 -5.78 -4.57 2.61 1.02 -1.25 -4.94 120.64 107.03 1x5k n GLU 85 Ca -0.09 0.76 -0.30 0.00 -0.02 0.00 0.00 57.16 57.51 1x5k n GLU 85 Cb 0.38 -5.50 -0.08 0.00 -0.02 0.00 0.00 31.44 26.22 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 -5.86 2.64 0.25 -4.62 1.43 -1.25 -5.11 118.68 106.16 1x5k s LEU 86 Ca 0.01 -1.45 -0.17 0.00 -1.03 0.00 0.00 54.13 51.49 1x5k s LEU 86 Cb -0.00 -0.91 -0.08 0.00 0.03 0.00 0.00 46.19 45.22 1x5k s LEU 86 CO 0.65 -0.68 0.70 -0.89 0.23 0.00 0.00 176.35 176.36 1x5k s THR 87 N -2.77 4.66 0.50 5.49 2.01 -1.26 -4.83 115.64 119.43 1x5k s THR 87 Ca 0.23 1.08 0.05 0.00 0.31 0.00 0.00 61.69 63.36 1x5k s THR 87 Cb 0.05 -3.75 0.03 0.00 0.01 0.00 0.00 72.50 68.84 1x5k s THR 87 CO 0.12 0.06 0.69 -0.76 -0.69 0.00 0.00 174.62 174.04 1x5k s LEU 88 N -2.36 3.44 -1.75 4.42 1.43 -1.26 -4.45 118.68 118.14 1x5k s LEU 88 Ca 0.46 -0.28 -0.14 0.00 -1.03 0.00 0.00 54.13 53.14 1x5k s LEU 88 Cb -0.14 -2.65 0.14 0.00 0.03 0.00 0.00 46.19 43.58 1x5k s LEU 88 CO 0.20 -1.00 0.39 -0.67 0.23 0.00 0.00 176.35 175.49 1x5k n ASP 89 N -2.12 -0.85 -3.77 2.29 2.03 -1.24 -4.91 116.55 107.99 1x5k n ASP 89 Ca 0.09 -1.25 -0.13 0.00 0.52 0.00 0.00 54.79 54.02 1x5k n ASP 89 Cb 0.60 -1.68 -0.14 0.00 -0.72 0.00 0.00 41.12 39.18 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 -3.68 -0.03 -0.39 5.18 2.01 -1.26 -5.01 115.64 112.46 1x5k s THR 90 Ca 0.51 0.13 -0.28 0.00 0.31 0.00 0.00 61.69 62.36 1x5k s THR 90 Cb -0.30 -0.22 -0.01 0.00 0.01 0.00 0.00 72.50 71.98 1x5k s THR 90 CO 1.01 0.05 1.72 -2.16 -0.69 0.00 0.00 174.62 174.56 1x5k s PRO 91 N 0.85 3.29 0.01 4.92 0.04 -1.26 -3.40 135.00 139.45 1x5k s PRO 91 Ca -0.06 1.21 0.03 0.00 0.04 0.00 0.00 61.00 62.22 1x5k s PRO 91 Cb -0.08 -4.19 -0.04 0.00 0.04 0.00 0.00 34.50 30.23 1x5k s PRO 91 CO -0.04 -1.91 -0.04 0.71 0.04 0.00 0.00 177.00 175.76 1x5k s TYR 92 N 6.86 2.95 -0.02 0.56 1.51 -1.20 -4.81 117.35 123.21 1x5k s TYR 92 Ca 0.74 -0.00 0.05 0.00 -1.01 0.00 0.00 57.07 56.85 1x5k s TYR 92 Cb -0.19 -1.61 -0.03 0.00 -0.11 0.00 0.00 41.96 40.02 1x5k s TYR 92 CO 0.32 0.41 -0.16 0.71 -1.11 0.00 0.00 175.55 175.72 1x5k s TYR 93 N -1.06 2.64 0.12 2.71 1.51 -1.20 -1.08 117.35 120.98 1x5k s TYR 93 Ca 0.19 -0.21 0.07 0.00 -1.01 0.00 0.00 57.07 56.11 1x5k s TYR 93 Cb -0.11 -1.57 -0.04 0.00 -0.11 0.00 0.00 41.96 40.13 1x5k s TYR 93 CO 0.10 0.19 -0.16 -0.06 -1.11 0.00 0.00 175.55 174.51 1x5k s PHE 94 N -0.79 1.51 -0.02 2.71 0.40 -1.07 -2.31 117.98 118.41 1x5k s PHE 94 Ca 0.13 -0.52 0.00 0.00 -0.60 0.00 0.00 56.93 55.94 1x5k s PHE 94 Cb -0.11 -0.79 0.02 0.00 0.51 0.00 0.00 43.02 42.66 1x5k s PHE 94 CO 0.02 0.18 0.01 0.15 0.70 0.00 0.00 175.22 176.28 1x5k s LYS 95 N -2.54 0.16 0.03 0.44 1.02 -0.14 -1.35 119.74 117.37 1x5k s LYS 95 Ca 0.09 0.09 0.06 0.00 0.02 0.00 0.00 55.97 56.23 1x5k s LYS 95 Cb -0.06 -0.35 -0.03 0.00 -0.52 0.00 0.00 37.83 36.87 1x5k s LYS 95 CO 0.04 -0.12 -0.15 0.42 -0.92 0.00 0.00 175.35 174.62 1x5k s ILE 96 N 0.88 3.05 -0.19 2.17 1.01 -1.26 -1.23 121.20 125.64 1x5k s ILE 96 Ca -0.08 -1.05 -0.16 0.00 0.00 0.00 0.00 60.65 59.36 1x5k s ILE 96 Cb -0.12 -2.29 0.05 0.00 0.01 0.00 0.00 42.46 40.11 1x5k s ILE 96 CO -0.02 0.36 0.49 -1.58 0.00 0.00 0.00 174.94 174.19 1x5k s GLN 97 N -1.40 0.55 -0.04 2.79 0.74 -1.25 -2.85 119.66 118.20 1x5k s GLN 97 Ca 0.15 0.72 -0.04 0.00 0.05 0.00 0.00 55.36 56.24 1x5k s GLN 97 Cb -0.11 0.23 -0.04 0.00 1.10 0.00 0.00 33.01 34.20 1x5k s GLN 97 CO 0.06 -0.08 0.16 0.00 -0.55 0.00 0.00 175.29 174.87 1x5k s ALA 98 N 0.47 3.88 0.08 1.58 0.00 -1.26 -3.12 121.76 123.39 1x5k s ALA 98 Ca -0.02 -0.74 -0.12 0.00 0.00 0.00 0.00 51.96 51.08 1x5k s ALA 98 Cb -0.04 -1.87 0.01 0.00 0.00 0.00 0.00 23.12 21.23 1x5k s ALA 98 CO -0.02 0.71 0.28 -0.98 0.00 0.00 0.00 175.76 175.74 1x5k s ARG 99 N -1.66 0.88 0.29 0.00 1.70 -1.16 -2.66 118.95 116.34 1x5k s ARG 99 Ca 0.23 -0.73 0.01 0.00 -0.47 0.00 0.00 55.73 54.78 1x5k s ARG 99 Cb -0.12 0.37 -0.00 0.00 -0.57 0.00 0.00 34.95 34.62 1x5k s ARG 99 CO 0.14 -0.30 0.05 0.27 -1.08 0.00 0.00 175.30 174.38 1x5k n ASN 100 N 0.16 1.98 -0.29 -2.89 0.23 -0.14 -2.97 115.26 111.34 1x5k n ASN 100 Ca -0.17 -2.38 0.29 0.00 -0.53 0.00 0.00 54.58 51.79 1x5k n ASN 100 Cb 0.62 0.44 0.65 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 0.89 0.17 0.07 0.53 0.87 -1.96 -2.60 113.55 111.52 1x5k h SER 101 Ca -0.23 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.36 1x5k h SER 101 Cb 0.78 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.74 1x5k h SER 101 CO 0.38 0.04 -0.03 0.11 -0.53 0.00 0.00 176.83 176.79 1x5k h LYS 102 N 0.15 -0.09 0.00 2.24 1.79 -1.95 -3.50 116.57 115.22 1x5k h LYS 102 Ca 0.54 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 59.01 1x5k h LYS 102 Cb 1.83 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 32.50 1x5k h LYS 102 CO -0.11 -0.06 0.00 0.41 -1.08 0.00 0.00 179.45 178.61 1x5k n GLY 103 N 0.63 1.32 3.94 3.86 0.00 -0.98 -5.10 105.19 108.85 1x5k n GLY 103 Ca -0.01 -0.91 -0.19 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.93 2.81 0.00 1.61 -1.94 -1.26 -0.97 119.30 117.62 1x5k s MET 104 Ca 0.00 -1.26 0.00 0.00 -1.71 0.00 0.00 55.69 52.72 1x5k s MET 104 Cb 0.00 -2.62 0.00 0.00 2.01 0.00 0.00 34.83 34.22 1x5k s MET 104 CO 0.00 -0.08 0.00 0.41 -0.01 0.00 0.00 175.02 175.34 1x5k n GLY 105 N -1.61 5.04 3.77 -0.03 0.00 -1.09 -4.79 105.19 106.47 1x5k n GLY 105 Ca 0.03 -1.95 -0.39 0.00 0.00 0.00 0.00 46.02 43.70 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 2.11 4.15 0.44 1.61 0.04 -1.26 -4.93 135.00 137.16 1x5k s PRO 106 Ca 0.00 1.93 -0.15 0.00 0.04 0.00 0.00 61.00 62.82 1x5k s PRO 106 Cb 0.00 -2.80 -0.08 0.00 0.04 0.00 0.00 34.50 31.66 1x5k s PRO 106 CO 0.00 -0.27 0.88 -1.64 0.04 0.00 0.00 177.00 176.01 1x5k s MET 107 N -2.13 3.95 0.57 4.56 -1.94 -1.26 -4.47 119.30 118.58 1x5k s MET 107 Ca 0.54 0.79 -0.07 0.00 -1.71 0.00 0.00 55.69 55.24 1x5k s MET 107 Cb -0.33 -2.27 -0.02 0.00 2.01 0.00 0.00 34.83 34.23 1x5k s MET 107 CO 0.42 -0.10 0.90 -1.54 -0.01 0.00 0.00 175.02 174.70 1x5k s SER 108 N -2.83 5.93 0.01 3.03 1.04 -1.13 -4.96 113.70 114.80 1x5k s SER 108 Ca 0.56 0.96 -0.30 0.00 0.48 0.00 0.00 55.95 57.65 1x5k s SER 108 Cb -0.10 -2.06 -0.06 0.00 0.10 0.00 0.00 66.02 63.90 1x5k s SER 108 CO 0.26 -0.88 1.50 -1.83 0.98 0.00 0.00 173.24 173.27 1x5k s GLU 109 N -4.97 4.25 0.25 4.02 -1.05 -1.26 -4.74 118.70 115.19 1x5k s GLU 109 Ca 0.52 2.09 -0.18 0.00 -0.15 0.00 0.00 54.97 57.26 1x5k s GLU 109 Cb -0.11 -3.62 -0.12 0.00 -0.44 0.00 0.00 34.13 29.84 1x5k s GLU 109 CO 0.47 -0.65 0.18 0.00 0.95 0.00 0.00 175.26 176.21 1x5k n ALA 110 N 5.63 -2.53 -3.93 -0.84 0.00 -1.26 -4.92 120.51 112.66 1x5k n ALA 110 Ca 0.14 0.17 -0.33 0.00 0.00 0.00 0.00 53.44 53.43 1x5k n ALA 110 Cb 0.43 -1.15 -0.14 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.09 2.59 -0.66 0.00 1.01 -0.45 -4.92 120.40 116.88 1x5k s VAL 111 Ca 0.46 -2.11 -0.27 0.00 0.00 0.00 0.00 61.98 60.06 1x5k s VAL 111 Cb -0.56 -2.79 -0.00 0.00 0.00 0.00 0.00 36.38 33.03 1x5k s VAL 111 CO 0.46 -0.52 1.66 -1.58 0.00 0.00 0.00 175.10 175.12 1x5k s GLN 112 N 1.02 2.82 -0.26 2.72 0.74 -1.26 -2.58 119.66 122.85 1x5k s GLN 112 Ca 0.07 0.30 -0.01 0.00 0.05 0.00 0.00 55.36 55.76 1x5k s GLN 112 Cb -0.20 -4.33 0.03 0.00 1.10 0.00 0.00 33.01 29.62 1x5k s GLN 112 CO -0.06 -2.54 -0.05 0.12 -0.55 0.00 0.00 175.29 172.21 1x5k s PHE 113 N 7.92 3.13 0.13 1.67 2.19 -0.24 -4.97 117.98 127.81 1x5k s PHE 113 Ca 0.56 -1.69 -0.31 0.00 0.33 0.00 0.00 56.93 55.82 1x5k s PHE 113 Cb -0.11 -2.06 -0.08 0.00 -1.31 0.00 0.00 43.02 39.46 1x5k s PHE 113 CO 0.18 -0.76 1.30 0.50 1.83 0.00 0.00 175.22 178.27 1x5k s ARG 114 N 1.29 4.39 0.53 10.12 3.52 -1.26 -3.24 118.95 134.30 1x5k s ARG 114 Ca -0.02 1.97 -0.20 0.00 -0.13 0.00 0.00 55.73 57.35 1x5k s ARG 114 Cb -0.18 -3.26 -0.06 0.00 -1.56 0.00 0.00 34.95 29.89 1x5k s ARG 114 CO -0.04 -0.30 1.13 0.95 -0.81 0.00 0.00 175.30 176.23 1x5k s THR 115 N 0.70 3.19 0.00 4.11 -4.23 -1.22 -5.00 115.64 113.19 1x5k s THR 115 Ca 0.60 0.76 0.00 0.00 -1.18 0.00 0.00 61.69 61.86 1x5k s THR 115 Cb -0.34 -3.31 0.00 0.00 1.34 0.00 0.00 72.50 70.18 1x5k s THR 115 CO 0.33 -0.14 0.00 -0.81 -0.54 0.00 0.00 174.62 173.45 1x5k n PRO 116 N -1.19 0.25 -3.91 3.99 -0.04 -1.26 -4.11 135.00 128.73 1x5k n PRO 116 Ca 0.11 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.46 1x5k n PRO 116 Cb 0.51 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.85 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 -1.12 0.30 -1.14 0.54 -0.14 -1.26 -3.64 119.74 113.28 1x5k s LYS 117 Ca 0.00 -0.33 -0.21 0.00 -1.36 0.00 0.00 55.97 54.07 1x5k s LYS 117 Cb 0.00 0.12 -0.06 0.00 -1.68 0.00 0.00 37.83 36.20 1x5k s LYS 117 CO 0.00 -0.06 1.91 0.00 -0.76 0.00 0.00 175.35 176.44 1x5k n ALA 118 N 1.98 2.71 0.00 5.17 0.00 -1.26 -4.44 120.51 124.67 1x5k n ALA 118 Ca -0.20 -3.30 -0.00 0.00 0.00 0.00 0.00 53.44 49.94 1x5k n ALA 118 Cb 0.56 -3.54 -0.00 0.00 0.00 0.00 0.00 19.45 16.47 1x5k n ALA 118 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x5k n SER 119 N 11.23 0.06 0.00 0.00 2.88 -1.26 -5.10 113.62 121.43 1x5k n SER 119 Ca 0.47 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 58.02 1x5k n SER 119 Cb 0.45 -0.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 1x5k n SER 119 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5k n GLY 120 N 3.28 -1.73 3.55 0.46 0.00 -1.26 -5.10 105.19 104.40 1x5k n GLY 120 Ca -0.00 0.76 -0.34 0.00 0.00 0.00 0.00 46.02 46.44 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 0.00 2.59 -0.18 1.61 0.04 -1.26 -4.94 135.00 132.86 1x5k s PRO 121 Ca 0.00 0.27 -0.29 0.00 0.04 0.00 0.00 61.00 61.02 1x5k s PRO 121 Cb 0.00 -4.65 -0.03 0.00 0.04 0.00 0.00 34.50 29.87 1x5k s PRO 121 CO 0.00 -2.98 1.54 0.45 0.04 0.00 0.00 177.00 176.04 1x5k s SER 122 N 8.10 6.57 0.21 6.66 0.15 -1.26 -4.89 113.70 129.23 1x5k s SER 122 Ca 0.68 1.73 -0.09 0.00 0.70 0.00 0.00 55.95 58.98 1x5k s SER 122 Cb -0.10 -2.53 0.30 0.00 -1.71 0.00 0.00 66.02 61.98 1x5k s SER 122 CO 0.12 -1.08 1.22 -0.24 1.20 0.00 0.00 173.24 174.46 1x5k n SER 123 N 7.77 -0.36 0.00 5.45 2.88 -1.26 -5.22 113.62 122.89 1x5k n SER 123 Ca 0.17 1.35 0.00 0.00 -1.33 0.00 0.00 58.87 59.06 1x5k n SER 123 Cb 0.45 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 1x5k n SER 123 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42