#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5k s SER 2 N 0.00 6.98 0.20 1.61 0.01 -1.26 -5.06 113.70 116.18 1x5k s SER 2 Ca 0.00 1.51 -0.18 0.00 1.31 0.00 0.00 55.95 58.59 1x5k s SER 2 Cb 0.00 -2.46 -0.08 0.00 0.21 0.00 0.00 66.02 63.69 1x5k s SER 2 CO 0.00 -0.17 0.67 -0.44 0.41 0.00 0.00 173.24 173.71 1x5k s SER 3 N -2.00 7.00 0.00 2.44 0.01 -1.26 -4.99 113.70 114.90 1x5k s SER 3 Ca 0.53 1.33 0.00 0.00 1.31 0.00 0.00 55.95 59.12 1x5k s SER 3 Cb -0.13 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.72 1x5k s SER 3 CO 0.18 0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.50 1x5k n GLY 4 N 0.79 -1.08 0.10 3.44 0.00 -1.26 -5.07 105.19 102.11 1x5k n GLY 4 Ca -0.03 0.70 -0.11 0.00 0.00 0.00 0.00 46.02 46.58 1x5k n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1x5k h SER 5 N 0.00 -0.10 -1.96 1.61 4.64 -2.02 -3.39 113.55 112.34 1x5k h SER 5 Ca 0.00 -0.49 -0.70 0.00 -0.47 0.00 0.00 61.79 60.13 1x5k h SER 5 Cb 0.00 0.03 -0.16 0.00 -0.31 0.00 0.00 62.40 61.96 1x5k h SER 5 CO 0.00 0.55 1.33 -0.55 -0.87 0.00 0.00 176.83 177.29 1x5k s SER 6 N -5.69 6.85 0.00 4.97 0.15 -1.26 -4.77 113.70 113.95 1x5k s SER 6 Ca -0.13 -2.48 0.00 0.00 0.70 0.00 0.00 55.95 54.04 1x5k s SER 6 Cb -0.00 -2.44 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 1x5k s SER 6 CO 0.50 -0.98 0.00 0.61 1.20 0.00 0.00 173.24 174.57 1x5k n GLY 7 N 4.98 2.87 3.55 9.45 0.00 -1.26 -5.19 105.19 119.59 1x5k n GLY 7 Ca 0.34 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 46.19 1x5k n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1x5k s THR 8 N 2.31 0.00 0.50 2.61 -1.32 -1.26 -5.15 115.64 113.33 1x5k s THR 8 Ca 0.00 0.00 -0.23 0.00 -1.21 0.00 0.00 61.69 60.25 1x5k s THR 8 Cb 0.00 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.92 1x5k s THR 8 CO 0.00 0.00 1.22 0.00 -2.21 0.00 0.00 174.62 173.63 1x5k n ALA 9 N 1.10 1.10 -1.38 11.08 0.00 -1.26 -4.96 120.51 126.19 1x5k n ALA 9 Ca -0.17 0.16 -0.32 0.00 0.00 0.00 0.00 53.44 53.11 1x5k n ALA 9 Cb 0.57 -2.25 0.07 0.00 0.00 0.00 0.00 19.45 17.84 1x5k n ALA 9 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1x5k s HIS 10 N -1.30 2.51 0.00 0.00 0.00 -1.26 -4.50 115.29 110.74 1x5k s HIS 10 Ca 0.68 1.57 0.00 0.00 -3.00 0.00 0.00 55.06 54.31 1x5k s HIS 10 Cb -0.46 -3.17 0.00 0.00 -4.00 0.00 0.00 32.58 24.95 1x5k s HIS 10 CO 0.53 -1.86 0.00 0.41 -1.00 0.00 0.00 174.74 172.82 1x5k n GLY 11 N -0.61 0.83 3.64 -1.38 0.00 -1.26 -4.98 105.19 101.43 1x5k n GLY 11 Ca 0.10 -0.46 -0.53 0.00 0.00 0.00 0.00 46.02 45.14 1x5k n GLY 11 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1x5k n THR 12 N -0.84 0.14 -0.11 2.61 -2.24 -1.26 -4.88 114.28 107.68 1x5k n THR 12 Ca 0.00 -0.02 -0.23 0.00 -2.27 0.00 0.00 64.05 61.52 1x5k n THR 12 Cb 0.30 -1.11 -0.09 0.00 -2.10 0.00 0.00 70.33 67.33 1x5k n THR 12 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1x5k n THR 13 N 3.45 1.26 -3.67 4.28 -2.24 -1.26 -4.96 114.28 111.14 1x5k n THR 13 Ca 0.21 -0.35 -0.35 0.00 -2.27 0.00 0.00 64.05 61.29 1x5k n THR 13 Cb 0.19 -1.72 -0.08 0.00 -2.10 0.00 0.00 70.33 66.63 1x5k n THR 13 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1x5k s PHE 14 N -2.42 3.42 0.58 4.78 -0.71 -1.26 -5.09 117.98 117.28 1x5k s PHE 14 Ca -0.32 0.40 -0.03 0.00 -1.04 0.00 0.00 56.93 55.94 1x5k s PHE 14 Cb 0.12 -2.22 0.02 0.00 -1.21 0.00 0.00 43.02 39.73 1x5k s PHE 14 CO 0.42 0.27 0.86 -2.00 -1.34 0.00 0.00 175.22 173.43 1x5k s GLU 15 N 0.42 2.69 -0.25 1.99 2.56 -1.26 -5.08 118.70 119.76 1x5k s GLU 15 Ca 0.10 -0.31 0.02 0.00 0.00 0.00 0.00 54.97 54.78 1x5k s GLU 15 Cb -0.12 -2.34 0.06 0.00 2.00 0.00 0.00 34.13 33.73 1x5k s GLU 15 CO -0.00 -0.76 -0.08 -0.51 -0.56 0.00 0.00 175.26 173.35 1x5k s LEU 16 N -4.93 3.20 0.71 2.70 1.02 -1.26 -5.05 118.68 115.07 1x5k s LEU 16 Ca 0.55 -1.36 -0.17 0.00 0.02 0.00 0.00 54.13 53.17 1x5k s LEU 16 Cb -0.10 -1.43 -0.14 0.00 0.02 0.00 0.00 46.19 44.54 1x5k s LEU 16 CO 0.42 -0.21 -0.31 1.33 0.02 0.00 0.00 176.35 177.60 1x5k n VAL 17 N 4.50 0.18 -2.04 -1.59 0.24 -1.26 -3.74 118.33 114.62 1x5k n VAL 17 Ca -0.13 -0.49 -0.38 0.00 -2.04 0.00 0.00 64.34 61.30 1x5k n VAL 17 Cb 0.43 -0.08 -0.03 0.00 -1.47 0.00 0.00 33.84 32.69 1x5k n VAL 17 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1x5k s PRO 18 N -1.57 2.62 -0.08 7.34 0.04 -1.26 -4.79 135.00 137.30 1x5k s PRO 18 Ca 0.52 0.61 0.02 0.00 0.04 0.00 0.00 61.00 62.18 1x5k s PRO 18 Cb -0.36 -4.39 0.16 0.00 0.04 0.00 0.00 34.50 29.95 1x5k s PRO 18 CO 0.72 -2.73 1.04 -2.37 0.04 0.00 0.00 177.00 173.70 1x5k n THR 19 N 7.21 1.16 -4.44 1.26 5.66 -1.26 -3.54 114.28 120.34 1x5k n THR 19 Ca 0.20 -0.38 -0.21 0.00 -3.05 0.00 0.00 64.05 60.62 1x5k n THR 19 Cb 0.52 -0.73 -0.15 0.00 -1.55 0.00 0.00 70.33 68.42 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 0.26 1.29 0.72 1.09 0.15 -1.26 -4.79 113.70 111.15 1x5k s SER 20 Ca 0.12 -0.20 -0.13 0.00 0.70 0.00 0.00 55.95 56.44 1x5k s SER 20 Cb 0.10 -0.31 0.03 0.00 -1.71 0.00 0.00 66.02 64.13 1x5k s SER 20 CO 0.03 0.08 1.10 -2.16 1.20 0.00 0.00 173.24 173.49 1x5k s PRO 21 N 0.10 2.53 0.68 5.44 0.04 -1.26 -4.62 135.00 137.92 1x5k s PRO 21 Ca -0.02 1.28 -0.14 0.00 0.04 0.00 0.00 61.00 62.16 1x5k s PRO 21 Cb -0.08 -1.92 0.01 0.00 0.04 0.00 0.00 34.50 32.55 1x5k s PRO 21 CO 0.00 -1.44 1.11 -1.25 0.04 0.00 0.00 177.00 175.45 1x5k s PRO 22 N -4.50 2.68 0.46 0.56 0.04 -1.26 -4.59 135.00 128.39 1x5k s PRO 22 Ca 0.64 1.34 0.05 0.00 0.04 0.00 0.00 61.00 63.06 1x5k s PRO 22 Cb -0.19 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 1x5k s PRO 22 CO 0.49 -1.34 0.11 0.15 0.04 0.00 0.00 177.00 176.45 1x5k s LYS 23 N -4.29 2.15 -1.59 4.56 1.02 -1.03 -4.72 119.74 115.85 1x5k s LYS 23 Ca 0.66 -2.12 -0.03 0.00 0.02 0.00 0.00 55.97 54.49 1x5k s LYS 23 Cb -0.20 -1.76 0.00 0.00 -0.52 0.00 0.00 37.83 35.36 1x5k s LYS 23 CO 0.45 -0.25 0.40 -3.47 -0.92 0.00 0.00 175.35 171.56 1x5k n ASP 24 N -1.25 -5.95 -4.64 2.83 2.03 -1.26 -0.24 116.55 108.07 1x5k n ASP 24 Ca -0.08 -0.20 -0.43 0.00 0.52 0.00 0.00 54.79 54.61 1x5k n ASP 24 Cb 0.66 -4.83 -0.03 0.00 -0.72 0.00 0.00 41.12 36.20 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 -3.12 3.69 -0.04 5.18 1.01 -1.26 -3.53 120.40 122.34 1x5k s VAL 25 Ca 0.20 0.80 -0.03 0.00 0.00 0.00 0.00 61.98 62.94 1x5k s VAL 25 Cb -0.09 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.64 1x5k s VAL 25 CO 0.25 -0.24 0.10 0.42 0.00 0.00 0.00 175.10 175.63 1x5k s THR 26 N 4.95 -0.00 -0.21 3.92 -4.23 -0.75 -5.03 115.64 114.28 1x5k s THR 26 Ca 0.71 0.00 -0.00 0.00 -1.18 0.00 0.00 61.69 61.23 1x5k s THR 26 Cb -0.26 -0.15 0.06 0.00 1.34 0.00 0.00 72.50 73.48 1x5k s THR 26 CO 0.29 0.00 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.64 1x5k s VAL 27 N 0.08 1.28 0.56 2.29 1.01 -1.26 -1.46 120.40 122.89 1x5k s VAL 27 Ca -0.00 -0.99 0.05 0.00 0.00 0.00 0.00 61.98 61.04 1x5k s VAL 27 Cb -0.01 -1.57 0.05 0.00 0.00 0.00 0.00 36.38 34.85 1x5k s VAL 27 CO 0.00 -0.07 0.43 0.68 0.00 0.00 0.00 175.10 176.14 1x5k s VAL 28 N 1.52 1.57 0.09 2.92 -7.23 0.31 -5.00 120.40 114.57 1x5k s VAL 28 Ca -0.04 -1.47 0.10 0.00 -1.81 0.00 0.00 61.98 58.76 1x5k s VAL 28 Cb -0.18 -2.04 -0.03 0.00 0.56 0.00 0.00 36.38 34.68 1x5k s VAL 28 CO -0.07 0.00 -0.26 -0.94 -0.31 0.00 0.00 175.10 173.52 1x5k s SER 29 N -4.32 3.31 -0.06 4.85 1.04 -1.26 -2.37 113.70 114.89 1x5k s SER 29 Ca 0.34 -0.65 -0.18 0.00 0.48 0.00 0.00 55.95 55.93 1x5k s SER 29 Cb -0.03 -0.29 -0.05 0.00 0.10 0.00 0.00 66.02 65.76 1x5k s SER 29 CO 0.21 0.22 0.48 -0.75 0.98 0.00 0.00 173.24 174.38 1x5k s LYS 30 N -1.68 4.22 -0.02 4.02 2.20 -0.79 -4.83 119.74 122.87 1x5k s LYS 30 Ca 0.13 0.50 -0.04 0.00 -0.36 0.00 0.00 55.97 56.20 1x5k s LYS 30 Cb -0.10 -3.35 -0.02 0.00 -1.51 0.00 0.00 37.83 32.84 1x5k s LYS 30 CO 0.04 0.36 0.39 1.49 -0.36 0.00 0.00 175.35 177.27 1x5k h GLU 31 N 5.90 -0.14 -1.27 4.03 4.81 -1.97 -3.27 114.58 122.67 1x5k h GLU 31 Ca -0.45 0.01 0.43 0.00 -0.13 0.00 0.00 59.36 59.22 1x5k h GLU 31 Cb 1.19 0.03 -0.12 0.00 0.63 0.00 0.00 28.75 30.49 1x5k h GLU 31 CO 0.70 -0.10 0.83 0.41 -0.73 0.00 0.00 179.01 180.12 1x5k n GLY 32 N 0.90 -0.75 2.75 1.92 0.00 -1.26 -3.89 105.19 104.85 1x5k n GLY 32 Ca -0.02 0.67 -0.19 0.00 0.00 0.00 0.00 46.02 46.48 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 -5.02 -0.00 0.15 1.61 2.36 -1.24 -5.03 119.74 112.57 1x5k s LYS 33 Ca -0.06 0.43 -0.09 0.00 -2.55 0.00 0.00 55.97 53.70 1x5k s LYS 33 Cb 0.27 -0.51 -0.00 0.00 -1.05 0.00 0.00 37.83 36.54 1x5k s LYS 33 CO 0.73 -0.36 1.49 -1.00 1.55 0.00 0.00 175.35 177.76 1x5k h PRO 34 N 8.40 0.88 0.00 4.03 0.13 -1.67 -2.75 132.00 141.01 1x5k h PRO 34 Ca -0.13 -0.47 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 1x5k h PRO 34 Cb 1.12 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1x5k h PRO 34 CO 0.16 1.11 0.00 1.63 -0.23 0.00 0.00 178.00 180.67 1x5k n LYS 35 N -4.05 0.31 -4.88 0.86 5.02 -1.26 -4.51 118.16 109.64 1x5k n LYS 35 Ca -0.02 0.07 -0.33 0.00 -2.02 0.00 0.00 58.31 56.01 1x5k n LYS 35 Cb 0.55 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.93 1x5k n LYS 35 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1x5k s THR 36 N -2.24 3.05 0.10 -0.18 2.01 -1.04 -1.81 115.64 115.54 1x5k s THR 36 Ca 0.16 -0.72 0.02 0.00 0.31 0.00 0.00 61.69 61.46 1x5k s THR 36 Cb 0.09 -2.20 -0.04 0.00 0.01 0.00 0.00 72.50 70.35 1x5k s THR 36 CO 0.16 0.58 -0.07 0.27 -0.69 0.00 0.00 174.62 174.87 1x5k s ILE 37 N -0.57 0.73 -0.04 1.82 -4.36 -0.89 -1.88 121.20 116.00 1x5k s ILE 37 Ca 0.08 -1.88 0.06 0.00 -0.26 0.00 0.00 60.65 58.65 1x5k s ILE 37 Cb -0.11 -1.62 -0.01 0.00 1.25 0.00 0.00 42.46 41.96 1x5k s ILE 37 CO 0.01 -0.82 -0.23 -0.63 0.24 0.00 0.00 174.94 173.50 1x5k s ILE 38 N -3.43 1.90 -0.17 8.37 1.09 -1.00 -2.53 121.20 125.43 1x5k s ILE 38 Ca 0.11 -1.00 -0.00 0.00 -1.10 0.00 0.00 60.65 58.66 1x5k s ILE 38 Cb 0.04 -1.60 0.04 0.00 -1.06 0.00 0.00 42.46 39.88 1x5k s ILE 38 CO -0.04 0.53 -0.08 -0.69 -0.10 0.00 0.00 174.94 174.57 1x5k s VAL 39 N -0.28 1.29 0.21 2.92 1.01 -0.98 -0.53 120.40 124.04 1x5k s VAL 39 Ca 0.01 -0.69 0.05 0.00 0.00 0.00 0.00 61.98 61.35 1x5k s VAL 39 Cb -0.12 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 1x5k s VAL 39 CO 0.02 0.20 0.25 0.20 0.00 0.00 0.00 175.10 175.77 1x5k s ASN 40 N 1.56 5.90 0.13 3.32 0.01 -0.54 -2.51 114.94 122.82 1x5k s ASN 40 Ca 0.01 -0.06 -0.24 0.00 -0.71 0.00 0.00 52.86 51.86 1x5k s ASN 40 Cb -0.15 -1.63 0.08 0.00 0.41 0.00 0.00 41.25 39.96 1x5k s ASN 40 CO -0.08 -0.01 1.10 -1.66 -1.51 0.00 0.00 177.10 174.93 1x5k s TRP 41 N -1.95 0.05 0.06 2.20 -2.14 -0.89 -1.82 118.94 114.45 1x5k s TRP 41 Ca 0.33 -0.37 -0.00 0.00 2.66 0.00 0.00 56.10 58.72 1x5k s TRP 41 Cb -0.09 0.66 -0.04 0.00 -3.10 0.00 0.00 33.47 30.90 1x5k s TRP 41 CO 0.26 -0.75 -0.04 -0.65 -2.66 0.00 0.00 176.95 173.11 1x5k s GLN 42 N -2.20 0.66 0.52 3.25 -0.21 0.66 -4.80 119.66 117.53 1x5k s GLN 42 Ca 0.23 -1.22 -0.21 0.00 0.02 0.00 0.00 55.36 54.18 1x5k s GLN 42 Cb -0.02 0.08 -0.06 0.00 1.00 0.00 0.00 33.01 34.01 1x5k s GLN 42 CO 0.03 -0.08 1.14 -1.25 -2.12 0.00 0.00 175.29 173.02 1x5k s PRO 43 N -3.74 3.48 0.30 2.91 0.04 -1.26 -2.45 135.00 134.26 1x5k s PRO 43 Ca 0.07 1.66 -0.29 0.00 0.04 0.00 0.00 61.00 62.48 1x5k s PRO 43 Cb 0.06 -2.13 -0.10 0.00 0.04 0.00 0.00 34.50 32.38 1x5k s PRO 43 CO -0.08 -0.76 1.24 -1.25 0.04 0.00 0.00 177.00 176.19 1x5k s PRO 44 N -3.11 4.45 0.26 0.56 0.04 -1.26 -4.63 135.00 131.32 1x5k s PRO 44 Ca 0.70 2.06 -0.05 0.00 0.04 0.00 0.00 61.00 63.75 1x5k s PRO 44 Cb -0.25 -3.13 0.31 0.00 0.04 0.00 0.00 34.50 31.47 1x5k s PRO 44 CO 0.29 -0.06 1.92 1.03 0.04 0.00 0.00 177.00 180.22 1x5k h SER 45 N 3.80 1.07 -1.66 6.66 0.87 -1.94 -3.28 113.55 119.07 1x5k h SER 45 Ca -0.48 -0.05 -0.73 0.00 -1.23 0.00 0.00 61.79 59.31 1x5k h SER 45 Cb 1.22 -0.27 -0.15 0.00 -0.44 0.00 0.00 62.40 62.76 1x5k h SER 45 CO 0.68 0.80 1.75 -0.62 -0.53 0.00 0.00 176.83 178.91 1x5k n GLU 46 N -4.38 3.37 -3.05 2.24 1.02 -1.26 -4.86 120.64 113.72 1x5k n GLU 46 Ca 0.10 -3.61 -0.38 0.00 -0.02 0.00 0.00 57.16 53.25 1x5k n GLU 46 Cb 0.04 -3.10 -0.01 0.00 -0.02 0.00 0.00 31.44 28.34 1x5k n GLU 46 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1x5k n ALA 47 N 5.70 5.00 -0.49 0.62 0.00 -1.24 -4.53 120.51 125.58 1x5k n ALA 47 Ca 0.40 -4.77 0.38 0.00 0.00 0.00 0.00 53.44 49.45 1x5k n ALA 47 Cb 0.42 -1.86 0.60 0.00 0.00 0.00 0.00 19.45 18.60 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 0.90 0.05 0.00 0.00 3.02 -1.26 -4.39 115.26 113.59 1x5k n ASN 48 Ca 0.30 0.86 0.00 0.00 -0.03 0.00 0.00 54.58 55.71 1x5k n ASN 48 Cb 0.34 -0.43 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 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 -1.61 5.32 3.46 7.41 0.00 -1.25 -4.66 105.19 113.86 1x5k n GLY 49 Ca 0.33 -1.86 -0.33 0.00 0.00 0.00 0.00 46.02 44.16 1x5k n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x5k s LYS 50 N 1.96 2.69 0.18 1.61 -2.85 -1.26 -5.07 119.74 117.00 1x5k s LYS 50 Ca 0.00 -0.69 -0.22 0.00 -1.00 0.00 0.00 55.97 54.06 1x5k s LYS 50 Cb 0.00 -2.43 -0.08 0.00 -2.06 0.00 0.00 37.83 33.26 1x5k s LYS 50 CO 0.00 0.54 0.72 0.42 0.10 0.00 0.00 175.35 177.13 1x5k s ILE 51 N -0.50 4.52 0.00 3.79 -1.09 -1.26 -4.35 121.20 122.31 1x5k s ILE 51 Ca 0.07 1.42 0.00 0.00 -2.23 0.00 0.00 60.65 59.91 1x5k s ILE 51 Cb -0.12 -3.96 0.00 0.00 -1.58 0.00 0.00 42.46 36.80 1x5k s ILE 51 CO 0.02 0.37 0.00 0.35 -1.23 0.00 0.00 174.94 174.45 1x5k n THR 52 N 1.18 0.00 -3.84 2.92 -2.24 -1.15 -4.98 114.28 106.18 1x5k n THR 52 Ca -0.05 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.67 1x5k n THR 52 Cb 0.50 -0.50 0.02 0.00 -2.10 0.00 0.00 70.33 68.26 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 -2.24 0.29 0.17 3.38 0.00 -1.09 -3.59 107.32 104.24 1x5k s GLY 53 Ca 0.00 -0.61 -0.01 0.00 0.00 0.00 0.00 44.72 44.09 1x5k s GLY 53 CO 0.00 0.79 0.11 -0.19 0.00 0.00 0.00 173.10 173.81 1x5k s TYR 54 N -2.20 1.00 -0.04 1.90 1.51 -1.23 -1.63 117.35 116.65 1x5k s TYR 54 Ca 0.18 -1.29 -0.01 0.00 -1.01 0.00 0.00 57.07 54.95 1x5k s TYR 54 Cb -0.04 -0.50 0.03 0.00 -0.11 0.00 0.00 41.96 41.34 1x5k s TYR 54 CO 0.09 -0.60 0.02 0.42 -1.11 0.00 0.00 175.55 174.38 1x5k s ILE 55 N -4.10 0.08 -0.09 2.71 1.01 0.48 -1.16 121.20 120.14 1x5k s ILE 55 Ca 0.32 0.23 -0.03 0.00 0.00 0.00 0.00 60.65 61.16 1x5k s ILE 55 Cb 0.07 -0.25 -0.04 0.00 0.01 0.00 0.00 42.46 42.25 1x5k s ILE 55 CO 0.07 0.17 0.04 -0.63 0.00 0.00 0.00 174.94 174.60 1x5k s ILE 56 N 1.59 4.66 -0.08 2.92 1.01 -0.63 -1.94 121.20 128.73 1x5k s ILE 56 Ca -0.02 -0.13 0.03 0.00 0.00 0.00 0.00 60.65 60.52 1x5k s ILE 56 Cb -0.13 -2.99 0.01 0.00 0.01 0.00 0.00 42.46 39.36 1x5k s ILE 56 CO -0.03 0.59 -0.16 -0.31 0.00 0.00 0.00 174.94 175.03 1x5k s TYR 57 N -0.94 1.86 -0.05 3.97 1.51 -0.30 -0.73 117.35 122.67 1x5k s TYR 57 Ca 0.14 -0.73 -0.05 0.00 -1.01 0.00 0.00 57.07 55.42 1x5k s TYR 57 Cb -0.12 -1.31 0.01 0.00 -0.11 0.00 0.00 41.96 40.44 1x5k s TYR 57 CO 0.03 -0.33 0.14 1.52 -1.11 0.00 0.00 175.55 175.80 1x5k s TYR 58 N 0.56 -0.14 -0.11 2.71 -0.85 -1.25 -0.33 117.35 117.94 1x5k s TYR 58 Ca -0.16 0.33 -0.26 0.00 -0.52 0.00 0.00 57.07 56.47 1x5k s TYR 58 Cb -0.17 0.04 0.06 0.00 0.38 0.00 0.00 41.96 42.28 1x5k s TYR 58 CO 0.05 -0.10 0.62 0.45 -1.52 0.00 0.00 175.55 175.06 1x5k s SER 59 N -0.08 -0.60 0.49 -0.18 0.15 -1.16 -3.10 113.70 109.22 1x5k s SER 59 Ca -0.02 0.84 0.22 0.00 0.70 0.00 0.00 55.95 57.70 1x5k s SER 59 Cb -0.02 0.78 1.26 0.00 -1.71 0.00 0.00 66.02 66.34 1x5k s SER 59 CO 0.00 -0.46 1.94 0.71 1.20 0.00 0.00 173.24 176.64 1x5k h THR 60 N 3.50 0.72 -2.84 6.45 1.35 -1.90 -3.32 112.91 116.87 1x5k h THR 60 Ca -0.28 -0.06 -0.64 0.00 -0.55 0.00 0.00 66.41 64.88 1x5k h THR 60 Cb 1.15 0.52 -0.05 0.00 -1.73 0.00 0.00 68.15 68.04 1x5k h THR 60 CO 0.29 0.03 -0.42 -0.62 -0.25 0.00 0.00 175.52 174.55 1x5k s ASP 61 N -5.97 6.46 -0.02 5.36 -1.08 -1.26 -4.82 116.67 115.34 1x5k s ASP 61 Ca -0.06 0.51 0.21 0.00 -0.52 0.00 0.00 52.55 52.68 1x5k s ASP 61 Cb 0.21 -2.07 -0.29 0.00 -1.46 0.00 0.00 42.92 39.31 1x5k s ASP 61 CO 0.76 0.28 0.59 0.55 0.52 0.00 0.00 175.17 177.87 1x5k n VAL 62 N 1.24 0.00 0.36 1.11 3.14 -1.26 -4.27 118.33 118.65 1x5k n VAL 62 Ca -0.13 -0.32 0.11 0.00 -2.96 0.00 0.00 64.34 61.04 1x5k n VAL 62 Cb 0.53 0.36 -0.05 0.00 -1.06 0.00 0.00 33.84 33.62 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 -1.97 0.51 -4.57 6.55 4.13 -1.26 -4.97 115.26 113.69 1x5k n ASN 63 Ca -0.01 -0.12 -0.37 0.00 1.68 0.00 0.00 54.58 55.76 1x5k n ASN 63 Cb 0.47 1.09 0.06 0.00 -1.54 0.00 0.00 39.78 39.86 1x5k n ASN 63 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1x5k n ALA 64 N -1.98 -0.43 -1.97 5.41 0.00 -1.26 -4.92 120.51 115.36 1x5k n ALA 64 Ca 0.00 -0.10 -0.41 0.00 0.00 0.00 0.00 53.44 52.93 1x5k n ALA 64 Cb 0.48 -2.03 -0.04 0.00 0.00 0.00 0.00 19.45 17.87 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 -2.85 4.58 0.42 0.00 2.02 -1.26 -4.87 118.70 116.74 1x5k s GLU 65 Ca 0.73 1.79 0.36 0.00 0.02 0.00 0.00 54.97 57.86 1x5k s GLU 65 Cb -0.38 -3.24 1.34 0.00 0.10 0.00 0.00 34.13 31.95 1x5k s GLU 65 CO 0.51 0.07 1.27 1.51 0.02 0.00 0.00 175.26 178.64 1x5k n ILE 66 N 2.04 -0.07 -0.10 -1.63 0.13 -1.26 0.13 119.36 118.60 1x5k n ILE 66 Ca 0.02 1.30 -0.06 0.00 -1.10 0.00 0.00 62.75 62.91 1x5k n ILE 66 Cb 0.45 -2.15 0.01 0.00 -0.84 0.00 0.00 39.64 37.11 1x5k n ILE 66 CO 0.00 0.00 0.00 0.45 2.80 0.00 0.00 176.55 179.80 1x5k h HIS 67 N 0.00 -0.02 -0.43 9.51 3.86 -2.01 -1.66 115.15 124.41 1x5k h HIS 67 Ca 0.75 0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.92 1x5k h HIS 67 Cb 2.82 0.06 -0.02 0.00 1.06 0.00 0.00 27.41 31.33 1x5k h HIS 67 CO -0.00 -0.06 -0.01 0.22 0.86 0.00 0.00 177.93 178.94 1x5k h ASP 68 N 0.10 0.67 -2.54 2.45 1.82 0.75 -3.44 116.42 116.23 1x5k h ASP 68 Ca 0.16 -0.16 -0.58 0.00 -0.39 0.00 0.00 57.03 56.07 1x5k h ASP 68 Cb 0.22 -0.18 0.07 0.00 0.68 0.00 0.00 39.33 40.12 1x5k h ASP 68 CO -0.27 0.75 0.73 0.79 -1.61 0.00 0.00 179.24 179.63 1x5k n TRP 69 N -4.23 2.29 -1.54 0.28 7.02 -0.62 -4.94 117.44 115.69 1x5k n TRP 69 Ca 0.02 0.33 -0.33 0.00 -1.02 0.00 0.00 57.50 56.51 1x5k n TRP 69 Cb 0.29 -2.51 0.07 0.00 -2.42 0.00 0.00 31.31 26.74 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 0.41 2.92 -0.34 -0.99 0.11 -1.18 -4.88 120.40 116.46 1x5k s VAL 70 Ca 0.73 0.41 -0.06 0.00 -2.93 0.00 0.00 61.98 60.13 1x5k s VAL 70 Cb -0.65 -2.91 0.04 0.00 -1.53 0.00 0.00 36.38 31.34 1x5k s VAL 70 CO 0.44 -0.28 0.09 -0.63 -3.33 0.00 0.00 175.10 171.38 1x5k s ILE 71 N -2.33 3.63 -0.80 7.04 1.01 -1.26 -3.84 121.20 124.65 1x5k s ILE 71 Ca 0.68 -1.21 -0.05 0.00 0.00 0.00 0.00 60.65 60.07 1x5k s ILE 71 Cb -0.23 -3.08 0.20 0.00 0.01 0.00 0.00 42.46 39.37 1x5k s ILE 71 CO 0.45 -0.19 0.68 -1.61 0.00 0.00 0.00 174.94 174.28 1x5k s GLU 72 N 1.37 3.17 0.17 2.79 0.41 0.09 -4.97 118.70 121.73 1x5k s GLU 72 Ca -0.02 -2.82 -0.30 0.00 -0.41 0.00 0.00 54.97 51.41 1x5k s GLU 72 Cb -0.20 -4.03 -0.08 0.00 -1.78 0.00 0.00 34.13 28.04 1x5k s GLU 72 CO 0.02 -1.23 1.32 -1.25 -0.49 0.00 0.00 175.26 173.62 1x5k s PRO 73 N -0.55 4.38 -0.41 0.39 0.04 -1.26 -1.60 135.00 135.99 1x5k s PRO 73 Ca 0.22 2.04 -0.10 0.00 0.04 0.00 0.00 61.00 63.20 1x5k s PRO 73 Cb -0.13 -3.21 0.06 0.00 0.04 0.00 0.00 34.50 31.26 1x5k s PRO 73 CO -0.08 -0.29 0.25 0.08 0.04 0.00 0.00 177.00 177.01 1x5k s VAL 74 N 0.37 4.37 1.17 -0.36 1.01 -0.31 -4.98 120.40 121.67 1x5k s VAL 74 Ca 0.58 -1.24 -0.16 0.00 0.00 0.00 0.00 61.98 61.16 1x5k s VAL 74 Cb -0.36 -3.61 0.20 0.00 0.00 0.00 0.00 36.38 32.61 1x5k s VAL 74 CO 0.36 -0.44 0.43 1.33 0.00 0.00 0.00 175.10 176.79 1x5k n VAL 75 N 4.95 0.00 -1.48 2.92 0.24 -1.26 -3.54 118.33 120.16 1x5k n VAL 75 Ca -0.11 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.82 1x5k n VAL 75 Cb 0.44 -0.77 0.00 0.00 -1.47 0.00 0.00 33.84 32.03 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 1.65 0.14 0.74 7.63 0.00 -1.26 -3.45 105.19 110.64 1x5k n GLY 76 Ca 0.01 -0.55 0.08 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.70 2.16 -3.65 1.61 5.15 -1.24 -4.05 115.26 111.55 1x5k n ASN 77 Ca 0.00 -1.92 -0.33 0.00 -0.60 0.00 0.00 54.58 51.72 1x5k n ASN 77 Cb 0.00 -0.23 0.01 0.00 -0.53 0.00 0.00 39.78 39.03 1x5k n ASN 77 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1x5k n ARG 78 N 0.66 0.00 0.00 1.20 0.63 -1.22 -4.90 116.66 113.03 1x5k n ARG 78 Ca 0.15 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.08 1x5k n ARG 78 Cb 0.36 -0.86 0.00 0.00 0.45 0.00 0.00 32.46 32.41 1x5k n ARG 78 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1x5k n LEU 79 N 2.16 1.61 -4.07 6.15 4.77 -1.26 -4.81 117.00 121.54 1x5k n LEU 79 Ca 0.07 -1.61 -0.13 0.00 -0.03 0.00 0.00 56.01 54.31 1x5k n LEU 79 Cb 0.40 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.38 1x5k n LEU 79 CO 0.46 0.40 -0.41 0.28 -1.33 0.00 0.00 177.39 176.80 1x5k s THR 80 N -0.62 0.59 0.02 -5.08 -1.32 -1.26 -2.10 115.64 105.87 1x5k s THR 80 Ca 0.00 -1.11 0.01 0.00 -1.21 0.00 0.00 61.69 59.38 1x5k s THR 80 Cb 0.00 -0.66 -0.02 0.00 -1.51 0.00 0.00 72.50 70.31 1x5k s THR 80 CO 0.00 -0.38 -0.05 -2.28 -2.21 0.00 0.00 174.62 169.71 1x5k s HIS 81 N -1.40 0.40 -0.43 9.09 2.46 -1.04 -4.99 115.29 119.37 1x5k s HIS 81 Ca -0.09 -0.36 0.02 0.00 0.47 0.00 0.00 55.06 55.09 1x5k s HIS 81 Cb -0.10 -0.25 0.12 0.00 -0.13 0.00 0.00 32.58 32.22 1x5k s HIS 81 CO 0.00 -0.09 0.18 -0.65 -2.47 0.00 0.00 174.74 171.71 1x5k s GLN 82 N -1.05 1.85 -0.29 2.88 -0.21 -1.26 -2.32 119.66 119.26 1x5k s GLN 82 Ca -0.08 -2.12 -0.22 0.00 0.02 0.00 0.00 55.36 52.95 1x5k s GLN 82 Cb -0.07 -3.38 -0.01 0.00 1.00 0.00 0.00 33.01 30.55 1x5k s GLN 82 CO -0.00 -1.04 0.70 0.42 -2.12 0.00 0.00 175.29 173.25 1x5k s ILE 83 N 0.55 4.89 0.45 1.08 1.01 -1.05 -4.91 121.20 123.22 1x5k s ILE 83 Ca 0.13 1.11 0.05 0.00 0.00 0.00 0.00 60.65 61.93 1x5k s ILE 83 Cb -0.22 -4.05 0.05 0.00 0.01 0.00 0.00 42.46 38.25 1x5k s ILE 83 CO -0.05 -0.13 0.38 0.00 0.00 0.00 0.00 174.94 175.14 1x5k n GLN 84 N 5.96 0.81 -3.58 2.79 6.02 -1.26 -2.09 117.38 126.02 1x5k n GLN 84 Ca 0.01 -2.77 -0.23 0.00 -0.01 0.00 0.00 57.00 54.00 1x5k n GLN 84 Cb 0.48 0.23 0.08 0.00 1.02 0.00 0.00 30.24 32.05 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 -1.62 -7.72 -3.74 -1.09 -0.58 -1.15 -4.94 120.64 99.80 1x5k n GLU 85 Ca 0.00 0.83 -0.20 0.00 -0.42 0.00 0.00 57.16 57.37 1x5k n GLU 85 Cb 0.51 -5.87 -0.02 0.00 -0.57 0.00 0.00 31.44 25.49 1x5k n GLU 85 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1x5k s LEU 86 N -7.17 3.95 0.52 -4.62 1.43 -0.75 -5.08 118.68 106.96 1x5k s LEU 86 Ca 0.50 -0.21 -0.10 0.00 -1.03 0.00 0.00 54.13 53.29 1x5k s LEU 86 Cb -0.22 -2.61 -0.05 0.00 0.03 0.00 0.00 46.19 43.34 1x5k s LEU 86 CO 0.73 -0.28 0.91 -0.89 0.23 0.00 0.00 176.35 177.05 1x5k s THR 87 N -2.15 4.75 0.27 5.49 2.01 -1.26 -4.62 115.64 120.12 1x5k s THR 87 Ca 0.40 0.71 0.07 0.00 0.31 0.00 0.00 61.69 63.17 1x5k s THR 87 Cb -0.08 -3.82 -0.03 0.00 0.01 0.00 0.00 72.50 68.58 1x5k s THR 87 CO 0.29 -0.87 0.25 -0.76 -0.69 0.00 0.00 174.62 172.84 1x5k s LEU 88 N -4.62 3.86 -1.61 4.42 1.43 -1.26 -4.56 118.68 116.33 1x5k s LEU 88 Ca 0.53 -0.24 -0.09 0.00 -1.03 0.00 0.00 54.13 53.30 1x5k s LEU 88 Cb -0.10 -2.42 0.08 0.00 0.03 0.00 0.00 46.19 43.78 1x5k s LEU 88 CO 0.43 -0.11 0.38 -0.67 0.23 0.00 0.00 176.35 176.61 1x5k n ASP 89 N -1.27 -0.77 -3.76 2.29 2.03 -1.21 -4.93 116.55 108.93 1x5k n ASP 89 Ca -0.07 -1.15 -0.14 0.00 0.52 0.00 0.00 54.79 53.95 1x5k n ASP 89 Cb 0.58 -2.19 -0.15 0.00 -0.72 0.00 0.00 41.12 38.64 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 -3.83 -0.05 -0.42 5.18 2.01 -1.26 -4.97 115.64 112.30 1x5k s THR 90 Ca 0.32 0.18 -0.28 0.00 0.31 0.00 0.00 61.69 62.22 1x5k s THR 90 Cb -0.18 -0.19 -0.01 0.00 0.01 0.00 0.00 72.50 72.12 1x5k s THR 90 CO 0.96 0.07 1.75 -2.16 -0.69 0.00 0.00 174.62 174.55 1x5k s PRO 91 N 1.07 3.18 -0.08 4.92 0.04 -1.26 -3.37 135.00 139.50 1x5k s PRO 91 Ca -0.08 1.12 -0.01 0.00 0.04 0.00 0.00 61.00 62.06 1x5k s PRO 91 Cb -0.11 -4.22 -0.03 0.00 0.04 0.00 0.00 34.50 30.18 1x5k s PRO 91 CO -0.05 -2.04 -0.01 0.71 0.04 0.00 0.00 177.00 175.65 1x5k s TYR 92 N 7.23 3.12 -0.22 0.56 1.51 -0.72 -4.86 117.35 123.98 1x5k s TYR 92 Ca 0.73 0.16 -0.06 0.00 -1.01 0.00 0.00 57.07 56.90 1x5k s TYR 92 Cb -0.18 -1.77 -0.02 0.00 -0.11 0.00 0.00 41.96 39.87 1x5k s TYR 92 CO 0.30 0.45 0.02 0.71 -1.11 0.00 0.00 175.55 175.92 1x5k s TYR 93 N -0.88 3.05 0.17 2.71 1.51 -1.25 -0.67 117.35 121.99 1x5k s TYR 93 Ca 0.13 -0.50 0.07 0.00 -1.01 0.00 0.00 57.07 55.76 1x5k s TYR 93 Cb -0.11 -2.14 -0.04 0.00 -0.11 0.00 0.00 41.96 39.55 1x5k s TYR 93 CO 0.03 -0.32 0.03 -0.06 -1.11 0.00 0.00 175.55 174.12 1x5k s PHE 94 N 1.28 2.93 -0.05 2.71 0.08 -0.44 -2.98 117.98 121.50 1x5k s PHE 94 Ca 0.04 -0.10 -0.04 0.00 0.12 0.00 0.00 56.93 56.94 1x5k s PHE 94 Cb -0.15 -1.42 0.02 0.00 -0.57 0.00 0.00 43.02 40.90 1x5k s PHE 94 CO 0.02 0.52 0.13 0.15 -0.10 0.00 0.00 175.22 175.94 1x5k s LYS 95 N -2.97 0.15 0.04 0.44 1.02 0.55 -1.53 119.74 117.44 1x5k s LYS 95 Ca 0.28 0.20 0.05 0.00 0.02 0.00 0.00 55.97 56.52 1x5k s LYS 95 Cb -0.10 0.05 -0.04 0.00 -0.52 0.00 0.00 37.83 37.23 1x5k s LYS 95 CO 0.20 -0.03 -0.08 0.42 -0.92 0.00 0.00 175.35 174.94 1x5k s ILE 96 N 0.18 3.56 -0.17 2.17 1.01 -1.26 -1.15 121.20 125.54 1x5k s ILE 96 Ca -0.01 -0.95 -0.17 0.00 0.00 0.00 0.00 60.65 59.52 1x5k s ILE 96 Cb -0.02 -2.59 0.05 0.00 0.01 0.00 0.00 42.46 39.91 1x5k s ILE 96 CO -0.00 0.29 0.47 -1.58 0.00 0.00 0.00 174.94 174.11 1x5k s GLN 97 N -1.71 0.56 0.18 2.79 0.74 -0.82 -3.52 119.66 117.89 1x5k s GLN 97 Ca 0.19 0.61 0.04 0.00 0.05 0.00 0.00 55.36 56.25 1x5k s GLN 97 Cb -0.11 0.27 -0.03 0.00 1.10 0.00 0.00 33.01 34.24 1x5k s GLN 97 CO 0.10 -0.08 0.30 0.00 -0.55 0.00 0.00 175.29 175.06 1x5k s ALA 98 N 0.16 3.92 -0.04 1.58 0.00 -1.26 -0.38 121.76 125.73 1x5k s ALA 98 Ca -0.01 -1.12 -0.21 0.00 0.00 0.00 0.00 51.96 50.63 1x5k s ALA 98 Cb -0.03 -1.72 0.04 0.00 0.00 0.00 0.00 23.12 21.41 1x5k s ALA 98 CO 0.01 0.43 0.46 0.50 0.00 0.00 0.00 175.76 177.16 1x5k s ARG 99 N -3.48 0.80 0.41 0.00 3.52 -0.65 -1.35 118.95 118.20 1x5k s ARG 99 Ca 0.34 0.06 0.03 0.00 -0.13 0.00 0.00 55.73 56.03 1x5k s ARG 99 Cb -0.10 0.37 -0.01 0.00 -1.56 0.00 0.00 34.95 33.64 1x5k s ARG 99 CO 0.28 -0.22 0.11 0.27 -0.81 0.00 0.00 175.30 174.93 1x5k n ASN 100 N 1.31 1.73 0.09 -2.12 0.23 0.30 -2.68 115.26 114.11 1x5k n ASN 100 Ca -0.20 -3.09 0.17 0.00 -0.53 0.00 0.00 54.58 50.93 1x5k n ASN 100 Cb 0.56 0.83 0.45 0.00 -2.08 0.00 0.00 39.78 39.55 1x5k n ASN 100 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1x5k h SER 101 N 1.46 0.00 0.00 0.53 0.02 -1.95 -2.52 113.55 111.09 1x5k h SER 101 Ca -0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1x5k h SER 101 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1x5k h SER 101 CO 0.53 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 176.51 1x5k n LYS 102 N -3.08 0.00 0.00 3.45 4.01 -1.26 -5.11 118.16 116.17 1x5k n LYS 102 Ca 0.10 0.19 0.00 0.00 -0.51 0.00 0.00 58.31 58.09 1x5k n LYS 102 Cb 1.01 -0.64 0.00 0.00 -0.51 0.00 0.00 35.03 34.89 1x5k n LYS 102 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1x5k n GLY 103 N 2.21 2.80 4.00 0.72 0.00 -0.95 -5.12 105.19 108.86 1x5k n GLY 103 Ca 0.00 -0.71 -0.20 0.00 0.00 0.00 0.00 46.02 45.11 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 1.11 2.38 0.00 1.61 -1.94 -1.26 -0.54 119.30 120.65 1x5k s MET 104 Ca 0.00 -1.15 0.00 0.00 -1.71 0.00 0.00 55.69 52.83 1x5k s MET 104 Cb 0.00 -2.56 0.00 0.00 2.01 0.00 0.00 34.83 34.28 1x5k s MET 104 CO 0.00 -0.79 0.00 0.41 -0.01 0.00 0.00 175.02 174.63 1x5k n GLY 105 N -2.30 4.64 3.64 -0.03 0.00 -0.46 -4.66 105.19 106.03 1x5k n GLY 105 Ca 0.11 -1.82 -0.29 0.00 0.00 0.00 0.00 46.02 44.02 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 2.34 -0.25 -0.09 1.61 0.04 -1.23 -4.90 135.00 132.51 1x5k s PRO 106 Ca 0.00 0.28 0.05 0.00 0.04 0.00 0.00 61.00 61.37 1x5k s PRO 106 Cb 0.00 -1.68 -0.00 0.00 0.04 0.00 0.00 34.50 32.86 1x5k s PRO 106 CO 0.00 -3.14 -0.24 -1.64 0.04 0.00 0.00 177.00 172.02 1x5k s MET 107 N -5.12 2.90 0.92 4.56 -1.94 -1.26 -4.60 119.30 114.75 1x5k s MET 107 Ca 0.67 -0.88 -0.12 0.00 -1.71 0.00 0.00 55.69 53.65 1x5k s MET 107 Cb -0.15 -2.26 0.14 0.00 2.01 0.00 0.00 34.83 34.56 1x5k s MET 107 CO 0.57 0.25 1.10 -1.54 -0.01 0.00 0.00 175.02 175.39 1x5k s SER 108 N 0.17 3.35 0.34 3.03 1.04 -1.23 -4.98 113.70 115.42 1x5k s SER 108 Ca -0.14 1.25 -0.28 0.00 0.48 0.00 0.00 55.95 57.26 1x5k s SER 108 Cb -0.17 -1.91 -0.10 0.00 0.10 0.00 0.00 66.02 63.95 1x5k s SER 108 CO 0.07 -2.68 1.28 -1.61 0.98 0.00 0.00 173.24 171.27 1x5k s GLU 109 N -5.05 4.32 -0.37 4.02 0.41 -1.26 -4.83 118.70 115.93 1x5k s GLU 109 Ca 0.64 2.15 -0.33 0.00 -0.41 0.00 0.00 54.97 57.01 1x5k s GLU 109 Cb -0.17 -3.02 -0.10 0.00 -1.78 0.00 0.00 34.13 29.06 1x5k s GLU 109 CO 0.56 -0.20 2.25 0.00 -0.49 0.00 0.00 175.26 177.38 1x5k n ALA 110 N 0.70 1.13 -2.63 5.21 0.00 -1.26 -4.86 120.51 118.81 1x5k n ALA 110 Ca 0.01 -0.19 -0.43 0.00 0.00 0.00 0.00 53.44 52.83 1x5k n ALA 110 Cb 0.43 -2.66 -0.04 0.00 0.00 0.00 0.00 19.45 17.18 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 8.07 4.30 -0.30 0.00 1.01 -0.58 -4.89 120.40 128.00 1x5k s VAL 111 Ca 1.08 0.48 -0.28 0.00 0.00 0.00 0.00 61.98 63.27 1x5k s VAL 111 Cb -0.73 -4.58 0.01 0.00 0.00 0.00 0.00 36.38 31.09 1x5k s VAL 111 CO 0.44 -1.15 1.03 -1.58 0.00 0.00 0.00 175.10 173.84 1x5k s GLN 112 N 4.20 4.08 -0.04 2.72 0.74 -1.26 -1.33 119.66 128.77 1x5k s GLN 112 Ca 0.34 1.05 0.03 0.00 0.05 0.00 0.00 55.36 56.83 1x5k s GLN 112 Cb -0.11 -3.72 0.01 0.00 1.10 0.00 0.00 33.01 30.29 1x5k s GLN 112 CO 0.21 -0.82 -0.12 0.12 -0.55 0.00 0.00 175.29 174.13 1x5k s PHE 113 N 3.48 1.33 0.10 1.67 5.36 0.16 -4.98 117.98 125.09 1x5k s PHE 113 Ca 0.43 -0.40 -0.24 0.00 -0.96 0.00 0.00 56.93 55.76 1x5k s PHE 113 Cb -0.13 -0.94 -0.07 0.00 -0.34 0.00 0.00 43.02 41.54 1x5k s PHE 113 CO 0.13 -0.18 0.71 0.50 -1.46 0.00 0.00 175.22 174.93 1x5k s ARG 114 N 0.33 4.45 0.39 10.12 3.52 -1.26 -1.75 118.95 134.75 1x5k s ARG 114 Ca -0.07 1.01 -0.21 0.00 -0.13 0.00 0.00 55.73 56.33 1x5k s ARG 114 Cb -0.12 -3.29 -0.10 0.00 -1.56 0.00 0.00 34.95 29.88 1x5k s ARG 114 CO 0.02 0.50 0.91 0.95 -0.81 0.00 0.00 175.30 176.87 1x5k s THR 115 N -0.80 4.40 0.00 4.11 -4.23 -1.22 -4.99 115.64 112.91 1x5k s THR 115 Ca 0.35 1.47 0.00 0.00 -1.18 0.00 0.00 61.69 62.33 1x5k s THR 115 Cb -0.21 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 69.93 1x5k s THR 115 CO 0.23 -0.19 0.00 -0.81 -0.54 0.00 0.00 174.62 173.31 1x5k n PRO 116 N -0.31 0.24 -4.05 3.99 -0.04 -1.26 -3.69 135.00 129.88 1x5k n PRO 116 Ca 0.05 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.40 1x5k n PRO 116 Cb 0.53 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.88 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 0.51 0.13 0.54 -0.14 -1.26 -3.32 119.74 115.08 1x5k s LYS 117 Ca 0.00 -0.83 -0.13 0.00 -1.36 0.00 0.00 55.97 53.66 1x5k s LYS 117 Cb 0.00 -0.12 -0.05 0.00 -1.68 0.00 0.00 37.83 35.99 1x5k s LYS 117 CO 0.00 -0.00 1.48 0.00 -0.76 0.00 0.00 175.35 176.07 1x5k h ALA 118 N 4.23 0.54 -2.85 5.17 0.00 -1.98 -3.44 119.26 120.92 1x5k h ALA 118 Ca -0.34 -0.40 -0.61 0.00 0.00 0.00 0.00 54.91 53.55 1x5k h ALA 118 Cb 1.19 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 1x5k h ALA 118 CO 0.46 0.55 -0.44 -1.54 0.00 0.00 0.00 179.25 178.28 1x5k s SER 119 N -6.64 6.40 0.00 0.00 1.04 -1.26 -4.90 113.70 108.34 1x5k s SER 119 Ca -0.12 0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.68 1x5k s SER 119 Cb 0.10 -2.00 0.00 0.00 0.10 0.00 0.00 66.02 64.22 1x5k s SER 119 CO 0.85 0.15 0.00 0.61 0.98 0.00 0.00 173.24 175.83 1x5k n GLY 120 N 0.31 -1.56 3.60 7.32 0.00 -1.26 -4.96 105.19 108.64 1x5k n GLY 120 Ca -0.05 -0.60 -0.43 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.70 3.45 0.74 1.61 0.04 -1.26 -4.90 135.00 133.98 1x5k s PRO 121 Ca 0.00 1.35 -0.12 0.00 0.04 0.00 0.00 61.00 62.27 1x5k s PRO 121 Cb 0.00 -4.14 0.04 0.00 0.04 0.00 0.00 34.50 30.44 1x5k s PRO 121 CO 0.00 -1.71 1.10 0.45 0.04 0.00 0.00 177.00 176.87 1x5k s SER 122 N 5.36 4.65 0.01 6.66 0.15 -1.26 -5.05 113.70 124.21 1x5k s SER 122 Ca 0.75 1.89 0.06 0.00 0.70 0.00 0.00 55.95 59.35 1x5k s SER 122 Cb -0.21 -2.53 -0.03 0.00 -1.71 0.00 0.00 66.02 61.54 1x5k s SER 122 CO 0.33 -1.94 -0.19 -0.55 1.20 0.00 0.00 173.24 172.10 1x5k s SER 123 N -3.13 3.71 0.00 5.45 0.15 -1.26 -5.21 113.70 113.40 1x5k s SER 123 Ca 0.63 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.90 1x5k s SER 123 Cb -0.18 -0.61 0.00 0.00 -1.71 0.00 0.00 66.02 63.51 1x5k s SER 123 CO 0.52 0.29 0.00 0.61 1.20 0.00 0.00 173.24 175.86