#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5k s SER 2 N 0.00 0.46 0.27 1.61 0.15 -1.26 -5.15 113.70 109.78 1x5k s SER 2 Ca 0.00 0.06 -0.21 0.00 0.70 0.00 0.00 55.95 56.50 1x5k s SER 2 Cb 0.00 1.00 0.04 0.00 -1.71 0.00 0.00 66.02 65.35 1x5k s SER 2 CO 0.00 -0.31 0.81 -0.55 1.20 0.00 0.00 173.24 174.38 1x5k s SER 3 N 2.51 -0.17 -0.03 5.45 0.15 -1.26 -5.19 113.70 115.17 1x5k s SER 3 Ca 0.12 -0.67 -0.23 0.00 0.70 0.00 0.00 55.95 55.86 1x5k s SER 3 Cb -0.15 0.68 0.05 0.00 -1.71 0.00 0.00 66.02 64.89 1x5k s SER 3 CO -0.18 -1.29 0.51 -0.83 1.20 0.00 0.00 173.24 172.65 1x5k s GLY 4 N -2.99 -0.38 0.01 9.45 0.00 -1.26 -5.17 107.32 106.98 1x5k s GLY 4 Ca 0.13 0.83 -0.03 0.00 0.00 0.00 0.00 44.72 45.64 1x5k s GLY 4 CO 0.07 0.54 0.05 -0.56 0.00 0.00 0.00 173.10 173.20 1x5k s SER 5 N -1.33 0.12 0.30 1.64 0.01 -1.26 -5.17 113.70 108.02 1x5k s SER 5 Ca -0.11 -0.33 0.09 0.00 1.31 0.00 0.00 55.95 56.91 1x5k s SER 5 Cb -0.02 0.15 -0.04 0.00 0.21 0.00 0.00 66.02 66.31 1x5k s SER 5 CO 0.06 -0.31 0.05 -0.44 0.41 0.00 0.00 173.24 173.01 1x5k s SER 6 N -1.33 4.55 0.00 2.44 0.01 -1.26 -5.11 113.70 113.00 1x5k s SER 6 Ca -0.14 -0.73 0.00 0.00 1.31 0.00 0.00 55.95 56.38 1x5k s SER 6 Cb -0.08 -0.77 0.00 0.00 0.21 0.00 0.00 66.02 65.38 1x5k s SER 6 CO 0.00 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.13 1x5k n GLY 7 N -0.99 2.94 3.26 3.44 0.00 -1.26 -5.17 105.19 107.41 1x5k n GLY 7 Ca -0.05 0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 1.74 0.06 2.61 -4.23 -1.26 -5.05 115.64 109.51 1x5k s THR 8 Ca 0.00 -1.18 -0.19 0.00 -1.18 0.00 0.00 61.69 59.14 1x5k s THR 8 Cb 0.00 -1.50 -0.11 0.00 1.34 0.00 0.00 72.50 72.23 1x5k s THR 8 CO 0.00 0.27 1.43 0.00 -0.54 0.00 0.00 174.62 175.78 1x5k h ALA 9 N 4.97 0.29 -6.89 3.99 0.00 -2.02 -3.46 119.26 116.13 1x5k h ALA 9 Ca -0.43 -0.29 -0.58 0.00 0.00 0.00 0.00 54.91 53.62 1x5k h ALA 9 Cb 1.15 -0.07 -0.25 0.00 0.00 0.00 0.00 17.79 18.63 1x5k h ALA 9 CO 0.44 0.11 -0.88 -2.39 0.00 0.00 0.00 179.25 176.54 1x5k n HIS 10 N -4.56 -1.51 0.00 0.00 1.44 -1.26 -4.75 115.22 104.58 1x5k n HIS 10 Ca -0.05 0.74 0.00 0.00 -2.01 0.00 0.00 57.72 56.41 1x5k n HIS 10 Cb 0.32 -2.69 0.00 0.00 0.12 0.00 0.00 29.99 27.74 1x5k n HIS 10 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1x5k n GLY 11 N -1.48 2.45 3.57 -1.39 0.00 -1.26 -5.05 105.19 102.03 1x5k n GLY 11 Ca 0.01 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1x5k n GLY 11 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x5k s THR 12 N 2.19 3.96 -0.28 2.61 2.01 -1.26 -4.85 115.64 120.01 1x5k s THR 12 Ca 0.00 -1.19 -0.02 0.00 0.31 0.00 0.00 61.69 60.79 1x5k s THR 12 Cb 0.00 -5.05 0.17 0.00 0.01 0.00 0.00 72.50 67.63 1x5k s THR 12 CO 0.00 -1.89 0.52 -0.89 -0.69 0.00 0.00 174.62 171.66 1x5k s THR 13 N 5.15 -0.85 -0.12 -0.82 2.01 -1.26 -5.12 115.64 114.63 1x5k s THR 13 Ca 0.51 -0.03 -0.04 0.00 0.31 0.00 0.00 61.69 62.44 1x5k s THR 13 Cb 0.01 -0.93 -0.04 0.00 0.01 0.00 0.00 72.50 71.56 1x5k s THR 13 CO -0.02 -0.05 0.04 0.72 -0.69 0.00 0.00 174.62 174.63 1x5k s PHE 14 N 2.74 3.27 0.89 4.92 -0.71 -1.26 -5.07 117.98 122.76 1x5k s PHE 14 Ca 0.18 0.21 -0.12 0.00 -1.04 0.00 0.00 56.93 56.16 1x5k s PHE 14 Cb -0.15 -1.89 0.13 0.00 -1.21 0.00 0.00 43.02 39.90 1x5k s PHE 14 CO -0.19 0.44 1.10 -1.21 -1.34 0.00 0.00 175.22 174.02 1x5k s GLU 15 N -0.59 1.28 -0.23 1.99 8.01 -1.26 -5.05 118.70 122.85 1x5k s GLU 15 Ca 0.11 0.58 0.01 0.00 0.01 0.00 0.00 54.97 55.68 1x5k s GLU 15 Cb -0.12 -1.83 0.05 0.00 -4.31 0.00 0.00 34.13 27.93 1x5k s GLU 15 CO 0.02 -2.17 -0.07 -0.51 0.01 0.00 0.00 175.26 172.54 1x5k s LEU 16 N -6.11 2.54 0.70 1.80 2.01 -1.26 -5.11 118.68 113.24 1x5k s LEU 16 Ca 0.63 -1.10 -0.16 0.00 0.01 0.00 0.00 54.13 53.50 1x5k s LEU 16 Cb -0.16 -1.22 -0.02 0.00 0.01 0.00 0.00 46.19 44.80 1x5k s LEU 16 CO 0.55 -0.21 0.76 1.33 1.01 0.00 0.00 176.35 179.80 1x5k n VAL 17 N 4.66 2.49 -2.04 -1.59 0.24 -1.26 -3.99 118.33 116.84 1x5k n VAL 17 Ca -0.13 -0.41 -0.34 0.00 -2.04 0.00 0.00 64.34 61.42 1x5k n VAL 17 Cb 0.45 -0.93 -0.04 0.00 -1.47 0.00 0.00 33.84 31.85 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 -2.95 2.60 -0.01 7.34 0.04 -1.26 -4.81 135.00 135.96 1x5k s PRO 18 Ca 0.70 0.30 0.01 0.00 0.04 0.00 0.00 61.00 62.05 1x5k s PRO 18 Cb -0.36 -4.63 0.05 0.00 0.04 0.00 0.00 34.50 29.60 1x5k s PRO 18 CO 0.53 -2.96 0.84 -2.37 0.04 0.00 0.00 177.00 173.08 1x5k n THR 19 N 7.45 0.12 -5.13 1.26 5.66 -1.26 -3.82 114.28 118.56 1x5k n THR 19 Ca 0.27 -0.08 -0.29 0.00 -3.05 0.00 0.00 64.05 60.90 1x5k n THR 19 Cb 0.50 -0.19 -0.16 0.00 -1.55 0.00 0.00 70.33 68.94 1x5k n THR 19 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1x5k s SER 20 N -0.59 2.67 0.88 1.09 1.04 -1.26 -4.62 113.70 112.91 1x5k s SER 20 Ca 0.04 -0.42 -0.11 0.00 0.48 0.00 0.00 55.95 55.94 1x5k s SER 20 Cb 0.02 -0.35 0.12 0.00 0.10 0.00 0.00 66.02 65.91 1x5k s SER 20 CO 0.02 0.27 1.09 -2.16 0.98 0.00 0.00 173.24 173.44 1x5k s PRO 21 N -0.48 1.36 0.28 4.02 0.04 -1.26 -4.77 135.00 134.18 1x5k s PRO 21 Ca 0.07 0.85 -0.05 0.00 0.04 0.00 0.00 61.00 61.92 1x5k s PRO 21 Cb -0.09 -1.82 0.07 0.00 0.04 0.00 0.00 34.50 32.70 1x5k s PRO 21 CO -0.00 -2.18 0.25 -0.35 0.04 0.00 0.00 177.00 174.75 1x5k n PRO 22 N -3.85 -1.50 -4.03 0.56 -0.04 -1.26 -4.35 135.00 120.54 1x5k n PRO 22 Ca 0.07 -0.39 -0.10 0.00 -0.04 0.00 0.00 63.50 63.04 1x5k n PRO 22 Cb 0.55 -0.37 -0.07 0.00 -0.04 0.00 0.00 33.50 33.58 1x5k n PRO 22 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1x5k s LYS 23 N -3.56 1.38 -1.36 0.54 1.02 -0.26 -4.82 119.74 112.69 1x5k s LYS 23 Ca 0.16 -1.31 -0.08 0.00 0.02 0.00 0.00 55.97 54.76 1x5k s LYS 23 Cb -0.02 0.41 0.01 0.00 -0.52 0.00 0.00 37.83 37.71 1x5k s LYS 23 CO 0.12 -0.54 1.09 -0.25 -0.92 0.00 0.00 175.35 174.85 1x5k n ASP 24 N -0.32 -6.28 -4.60 2.83 8.00 -1.26 -0.29 116.55 114.63 1x5k n ASP 24 Ca -0.02 -0.50 -0.43 0.00 0.71 0.00 0.00 54.79 54.55 1x5k n ASP 24 Cb 0.63 -4.93 -0.02 0.00 -0.02 0.00 0.00 41.12 36.78 1x5k n ASP 24 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1x5k s VAL 25 N -3.29 3.89 0.05 2.53 1.01 -1.26 -3.83 120.40 119.49 1x5k s VAL 25 Ca 0.54 0.90 0.05 0.00 0.00 0.00 0.00 61.98 63.47 1x5k s VAL 25 Cb -0.24 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 31.92 1x5k s VAL 25 CO 0.67 -0.76 -0.14 0.42 0.00 0.00 0.00 175.10 175.29 1x5k s THR 26 N 5.50 1.07 -0.24 3.92 -4.23 0.02 -5.01 115.64 116.67 1x5k s THR 26 Ca 0.62 -1.12 -0.01 0.00 -1.18 0.00 0.00 61.69 60.00 1x5k s THR 26 Cb -0.14 -1.00 0.07 0.00 1.34 0.00 0.00 72.50 72.77 1x5k s THR 26 CO 0.33 -0.11 0.02 -0.69 -0.54 0.00 0.00 174.62 173.62 1x5k s VAL 27 N -1.05 1.05 0.32 2.29 1.01 -1.26 -0.68 120.40 122.08 1x5k s VAL 27 Ca -0.01 -1.07 0.08 0.00 0.00 0.00 0.00 61.98 60.98 1x5k s VAL 27 Cb -0.09 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 1x5k s VAL 27 CO 0.02 -0.29 0.18 0.68 0.00 0.00 0.00 175.10 175.69 1x5k s VAL 28 N 1.59 3.43 0.63 2.92 -7.23 0.00 -4.98 120.40 116.77 1x5k s VAL 28 Ca 0.00 -1.57 -0.02 0.00 -1.81 0.00 0.00 61.98 58.58 1x5k s VAL 28 Cb -0.18 -3.09 0.06 0.00 0.56 0.00 0.00 36.38 33.73 1x5k s VAL 28 CO -0.11 -0.22 0.90 -0.94 -0.31 0.00 0.00 175.10 174.41 1x5k s SER 29 N -3.88 4.93 0.02 4.85 1.04 -1.26 0.08 113.70 119.48 1x5k s SER 29 Ca 0.37 0.08 -0.06 0.00 0.48 0.00 0.00 55.95 56.83 1x5k s SER 29 Cb -0.05 -0.79 -0.05 0.00 0.10 0.00 0.00 66.02 65.23 1x5k s SER 29 CO 0.24 -1.44 0.26 -0.75 0.98 0.00 0.00 173.24 172.54 1x5k s LYS 30 N -5.00 3.56 -0.53 4.02 2.47 -0.30 -4.44 119.74 119.51 1x5k s LYS 30 Ca 0.60 -0.12 -0.28 0.00 -1.56 0.00 0.00 55.97 54.61 1x5k s LYS 30 Cb -0.10 -3.06 0.03 0.00 -1.46 0.00 0.00 37.83 33.25 1x5k s LYS 30 CO 0.42 0.63 1.14 -2.00 0.16 0.00 0.00 175.35 175.70 1x5k s GLU 31 N -1.89 3.57 0.00 4.03 2.56 -1.26 -3.61 118.70 122.10 1x5k s GLU 31 Ca 0.29 0.32 0.00 0.00 0.00 0.00 0.00 54.97 55.57 1x5k s GLU 31 Cb -0.13 -3.97 0.00 0.00 2.00 0.00 0.00 34.13 32.03 1x5k s GLU 31 CO 0.18 -1.53 0.00 0.41 -0.56 0.00 0.00 175.26 173.75 1x5k n GLY 32 N 4.99 3.13 3.04 -1.50 0.00 -1.26 -5.05 105.19 108.54 1x5k n GLY 32 Ca 0.09 -1.08 -0.28 0.00 0.00 0.00 0.00 46.02 44.75 1x5k n GLY 32 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x5k s LYS 33 N 0.00 2.11 -0.02 1.61 2.36 -1.24 -5.04 119.74 119.52 1x5k s LYS 33 Ca 0.00 -0.52 -0.25 0.00 -2.55 0.00 0.00 55.97 52.66 1x5k s LYS 33 Cb 0.00 -1.82 -0.18 0.00 -1.05 0.00 0.00 37.83 34.77 1x5k s LYS 33 CO 0.00 -0.08 1.17 -1.00 1.55 0.00 0.00 175.35 176.99 1x5k h PRO 34 N 7.48 -0.14 -1.05 4.03 0.13 -1.85 -3.20 132.00 137.39 1x5k h PRO 34 Ca -0.31 0.01 0.30 0.00 -0.87 0.00 0.00 66.00 65.12 1x5k h PRO 34 Cb 1.17 0.03 -0.12 0.00 0.13 0.00 0.00 31.00 32.21 1x5k h PRO 34 CO 0.48 0.29 0.64 0.87 -0.23 0.00 0.00 178.00 180.05 1x5k h LYS 35 N -0.64 0.38 -6.39 0.86 1.57 -1.92 -3.39 116.57 107.05 1x5k h LYS 35 Ca -0.02 -0.02 -0.54 0.00 -1.87 0.00 0.00 60.65 58.20 1x5k h LYS 35 Cb 0.50 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 1x5k h LYS 35 CO 0.02 0.25 0.46 0.99 -0.57 0.00 0.00 179.45 180.61 1x5k s THR 36 N -5.60 4.67 0.03 -0.16 2.01 -1.21 -3.97 115.64 111.41 1x5k s THR 36 Ca -0.10 1.92 0.01 0.00 0.31 0.00 0.00 61.69 63.84 1x5k s THR 36 Cb 0.28 -4.23 -0.02 0.00 0.01 0.00 0.00 72.50 68.54 1x5k s THR 36 CO 0.80 0.11 -0.06 0.27 -0.69 0.00 0.00 174.62 175.05 1x5k s ILE 37 N 1.27 0.39 -0.24 1.82 -4.36 -0.53 -1.15 121.20 118.40 1x5k s ILE 37 Ca 0.53 -0.83 -0.07 0.00 -0.26 0.00 0.00 60.65 60.01 1x5k s ILE 37 Cb -0.22 -0.45 -0.03 0.00 1.25 0.00 0.00 42.46 43.01 1x5k s ILE 37 CO 0.26 -0.30 0.07 -0.63 0.24 0.00 0.00 174.94 174.57 1x5k s ILE 38 N -1.10 4.37 -0.48 8.37 1.09 0.11 -2.02 121.20 131.53 1x5k s ILE 38 Ca -0.09 -0.16 -0.14 0.00 -1.10 0.00 0.00 60.65 59.17 1x5k s ILE 38 Cb -0.08 -3.03 0.10 0.00 -1.06 0.00 0.00 42.46 38.39 1x5k s ILE 38 CO -0.00 0.36 0.39 -0.69 -0.10 0.00 0.00 174.94 174.90 1x5k s VAL 39 N 1.41 4.89 0.22 2.92 1.01 -0.96 -0.82 120.40 129.08 1x5k s VAL 39 Ca 0.05 -1.35 -0.03 0.00 0.00 0.00 0.00 61.98 60.65 1x5k s VAL 39 Cb -0.15 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 1x5k s VAL 39 CO 0.03 -0.67 0.45 0.20 0.00 0.00 0.00 175.10 175.11 1x5k s ASN 40 N 2.80 6.43 0.17 3.32 -0.87 0.15 -2.84 114.94 124.09 1x5k s ASN 40 Ca 0.04 0.56 -0.22 0.00 -1.57 0.00 0.00 52.86 51.66 1x5k s ASN 40 Cb -0.26 -2.08 0.08 0.00 -0.02 0.00 0.00 41.25 38.97 1x5k s ASN 40 CO 0.04 -0.07 1.07 -1.66 -2.57 0.00 0.00 177.10 173.90 1x5k s TRP 41 N -1.89 0.08 0.04 2.20 -2.14 -1.11 -0.80 118.94 115.31 1x5k s TRP 41 Ca 0.41 -0.46 -0.05 0.00 2.66 0.00 0.00 56.10 58.65 1x5k s TRP 41 Cb -0.11 0.69 -0.01 0.00 -3.10 0.00 0.00 33.47 30.94 1x5k s TRP 41 CO 0.28 -0.86 0.09 -0.65 -2.66 0.00 0.00 176.95 173.15 1x5k s GLN 42 N -2.05 0.58 0.78 3.25 -1.52 0.60 -4.83 119.66 116.47 1x5k s GLN 42 Ca 0.24 -0.74 -0.11 0.00 -1.95 0.00 0.00 55.36 52.81 1x5k s GLN 42 Cb -0.03 0.23 0.06 0.00 -0.22 0.00 0.00 33.01 33.05 1x5k s GLN 42 CO 0.05 -0.14 1.09 -1.25 -0.25 0.00 0.00 175.29 174.79 1x5k s PRO 43 N -2.53 2.20 0.36 2.91 0.04 -1.26 -1.10 135.00 135.62 1x5k s PRO 43 Ca -0.06 1.15 -0.27 0.00 0.04 0.00 0.00 61.00 61.87 1x5k s PRO 43 Cb -0.02 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.54 1x5k s PRO 43 CO -0.04 -1.68 1.21 -1.25 0.04 0.00 0.00 177.00 175.28 1x5k s PRO 44 N -4.91 4.25 0.41 0.56 0.04 -1.26 -4.33 135.00 129.77 1x5k s PRO 44 Ca 0.61 1.97 0.11 0.00 0.04 0.00 0.00 61.00 63.73 1x5k s PRO 44 Cb -0.17 -2.90 0.94 0.00 0.04 0.00 0.00 34.50 32.41 1x5k s PRO 44 CO 0.56 -0.19 1.98 1.03 0.04 0.00 0.00 177.00 180.42 1x5k h SER 45 N 3.09 0.45 -1.28 6.66 0.87 -1.95 -3.20 113.55 118.20 1x5k h SER 45 Ca -0.48 0.01 -0.74 0.00 -1.23 0.00 0.00 61.79 59.34 1x5k h SER 45 Cb 1.23 -0.09 -0.14 0.00 -0.44 0.00 0.00 62.40 62.96 1x5k h SER 45 CO 0.64 0.28 2.09 -0.62 -0.53 0.00 0.00 176.83 178.70 1x5k n GLU 46 N -4.48 3.43 -1.32 2.24 -0.58 -1.26 -4.86 120.64 113.81 1x5k n GLU 46 Ca 0.09 -3.43 -0.39 0.00 -0.42 0.00 0.00 57.16 53.01 1x5k n GLU 46 Cb 0.30 -3.03 -0.03 0.00 -0.57 0.00 0.00 31.44 28.10 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 4.78 7.57 -0.46 0.62 0.00 -1.21 -4.72 120.51 127.09 1x5k n ALA 47 Ca 0.42 -3.54 0.36 0.00 0.00 0.00 0.00 53.44 50.68 1x5k n ALA 47 Cb 0.38 -3.37 0.58 0.00 0.00 0.00 0.00 19.45 17.04 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 3.55 0.08 0.00 0.00 3.02 -1.26 -4.42 115.26 116.23 1x5k n ASN 48 Ca 0.79 0.92 0.00 0.00 -0.03 0.00 0.00 54.58 56.26 1x5k n ASN 48 Cb 0.23 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 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 -1.55 3.20 2.70 7.41 0.00 -1.26 -4.61 105.19 111.07 1x5k n GLY 49 Ca 0.33 -0.29 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 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 3.70 0.10 -0.22 1.61 2.20 -1.26 -5.12 119.74 120.75 1x5k s LYS 50 Ca 0.00 0.31 -0.29 0.00 -0.36 0.00 0.00 55.97 55.62 1x5k s LYS 50 Cb 0.00 -0.63 0.00 0.00 -1.51 0.00 0.00 37.83 35.69 1x5k s LYS 50 CO 0.00 -0.32 1.13 0.42 -0.36 0.00 0.00 175.35 176.22 1x5k s ILE 51 N 2.10 4.50 0.00 5.43 -1.09 -1.26 -4.31 121.20 126.57 1x5k s ILE 51 Ca 0.05 1.80 0.00 0.00 -2.23 0.00 0.00 60.65 60.27 1x5k s ILE 51 Cb -0.12 -4.20 0.00 0.00 -1.58 0.00 0.00 42.46 36.55 1x5k s ILE 51 CO -0.04 -0.21 0.43 1.07 -1.23 0.00 0.00 174.94 174.97 1x5k n THR 52 N 5.44 0.16 -3.64 2.92 5.66 -1.18 -4.95 114.28 118.68 1x5k n THR 52 Ca 0.13 -0.38 -0.12 0.00 -3.05 0.00 0.00 64.05 60.63 1x5k n THR 52 Cb 0.46 1.22 -0.07 0.00 -1.55 0.00 0.00 70.33 70.38 1x5k n THR 52 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1x5k s GLY 53 N -0.16 -0.55 0.20 1.09 0.00 -0.92 -3.92 107.32 103.07 1x5k s GLY 53 Ca 0.00 2.08 0.10 0.00 0.00 0.00 0.00 44.72 46.90 1x5k s GLY 53 CO 0.00 1.87 -0.19 -0.19 0.00 0.00 0.00 173.10 174.59 1x5k s TYR 54 N 0.66 1.97 -0.03 1.90 1.51 -1.26 -1.30 117.35 120.81 1x5k s TYR 54 Ca -0.02 -0.44 0.01 0.00 -1.01 0.00 0.00 57.07 55.60 1x5k s TYR 54 Cb -0.05 -0.94 0.02 0.00 -0.11 0.00 0.00 41.96 40.88 1x5k s TYR 54 CO -0.04 0.44 -0.03 0.42 -1.11 0.00 0.00 175.55 175.23 1x5k s ILE 55 N -2.28 0.36 -0.15 2.71 1.01 -1.08 -0.29 121.20 121.48 1x5k s ILE 55 Ca 0.21 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.78 1x5k s ILE 55 Cb -0.05 -0.39 -0.00 0.00 0.01 0.00 0.00 42.46 42.03 1x5k s ILE 55 CO 0.09 0.16 -0.15 -0.63 0.00 0.00 0.00 174.94 174.41 1x5k s ILE 56 N 0.62 2.75 -0.18 2.92 1.01 -0.66 -1.51 121.20 126.13 1x5k s ILE 56 Ca -0.07 -0.75 -0.03 0.00 0.00 0.00 0.00 60.65 59.80 1x5k s ILE 56 Cb -0.10 -2.16 -0.01 0.00 0.01 0.00 0.00 42.46 40.19 1x5k s ILE 56 CO -0.01 0.51 -0.06 -0.31 0.00 0.00 0.00 174.94 175.08 1x5k s TYR 57 N 0.74 2.94 0.03 3.97 1.51 -0.47 -1.22 117.35 124.84 1x5k s TYR 57 Ca -0.06 -0.73 0.01 0.00 -1.01 0.00 0.00 57.07 55.28 1x5k s TYR 57 Cb -0.15 -2.01 -0.02 0.00 -0.11 0.00 0.00 41.96 39.66 1x5k s TYR 57 CO 0.01 -0.36 -0.05 1.52 -1.11 0.00 0.00 175.55 175.56 1x5k s TYR 58 N 0.97 0.44 0.11 2.71 -0.85 -1.24 0.18 117.35 119.67 1x5k s TYR 58 Ca -0.00 -0.51 -0.25 0.00 -0.52 0.00 0.00 57.07 55.78 1x5k s TYR 58 Cb -0.15 -0.28 0.08 0.00 0.38 0.00 0.00 41.96 41.99 1x5k s TYR 58 CO 0.00 -0.14 1.09 0.45 -1.52 0.00 0.00 175.55 175.43 1x5k s SER 59 N -1.49 -0.07 -0.49 -0.18 0.15 -1.14 -2.75 113.70 107.73 1x5k s SER 59 Ca -0.13 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.09 1x5k s SER 59 Cb -0.10 0.39 0.43 0.00 -1.71 0.00 0.00 66.02 65.04 1x5k s SER 59 CO -0.00 -0.75 1.94 0.35 1.20 0.00 0.00 173.24 175.98 1x5k n THR 60 N -0.60 3.18 -3.65 6.45 -2.24 -1.26 -3.05 114.28 113.11 1x5k n THR 60 Ca -0.04 -2.20 -0.06 0.00 -2.27 0.00 0.00 64.05 59.47 1x5k n THR 60 Cb 0.60 -1.00 -0.07 0.00 -2.10 0.00 0.00 70.33 67.77 1x5k n THR 60 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1x5k s ASP 61 N -1.08 -0.92 -0.04 3.42 1.01 -1.26 -5.04 116.67 112.75 1x5k s ASP 61 Ca 0.52 1.45 0.09 0.00 0.71 0.00 0.00 52.55 55.32 1x5k s ASP 61 Cb 0.41 1.53 -0.24 0.00 1.01 0.00 0.00 42.92 45.64 1x5k s ASP 61 CO 0.03 -0.23 0.68 1.62 0.21 0.00 0.00 175.17 177.47 1x5k h VAL 62 N 5.33 0.89 -0.72 -1.27 3.04 -1.98 -3.34 116.25 118.20 1x5k h VAL 62 Ca -0.27 -2.71 -0.32 0.00 -1.01 0.00 0.00 66.70 62.38 1x5k h VAL 62 Cb 1.19 2.48 -0.19 0.00 -2.01 0.00 0.00 31.29 32.76 1x5k h VAL 62 CO 0.16 0.59 0.41 0.59 -1.01 0.00 0.00 177.57 178.31 1x5k n ASN 63 N -3.14 3.86 -4.84 3.17 5.03 -1.26 -4.92 115.26 113.16 1x5k n ASN 63 Ca -0.18 -3.16 -0.35 0.00 0.87 0.00 0.00 54.58 51.76 1x5k n ASN 63 Cb 1.04 -0.74 -0.06 0.00 -1.02 0.00 0.00 39.78 38.99 1x5k n ASN 63 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1x5k s ALA 64 N -2.58 3.75 0.33 5.41 0.00 -1.25 -5.07 121.76 122.35 1x5k s ALA 64 Ca 0.45 -0.74 -0.29 0.00 0.00 0.00 0.00 51.96 51.38 1x5k s ALA 64 Cb 0.37 -1.80 -0.11 0.00 0.00 0.00 0.00 23.12 21.58 1x5k s ALA 64 CO 0.10 0.66 1.50 -1.21 0.00 0.00 0.00 175.76 176.80 1x5k s GLU 65 N -1.36 4.15 0.59 0.00 2.02 -1.26 -4.81 118.70 118.03 1x5k s GLU 65 Ca 0.19 2.51 0.32 0.00 0.02 0.00 0.00 54.97 58.02 1x5k s GLU 65 Cb -0.12 -3.01 1.19 0.00 0.10 0.00 0.00 34.13 32.29 1x5k s GLU 65 CO 0.09 -0.52 1.46 0.97 0.02 0.00 0.00 175.26 177.28 1x5k h ILE 66 N 3.17 0.07 -0.45 -1.63 6.09 -1.97 0.52 117.51 123.30 1x5k h ILE 66 Ca -0.49 0.00 0.05 0.00 -1.37 0.00 0.00 64.86 63.05 1x5k h ILE 66 Cb 1.23 0.10 -0.04 0.00 0.47 0.00 0.00 36.82 38.58 1x5k h ILE 66 CO 0.70 0.00 0.19 0.45 -3.07 0.00 0.00 178.15 176.43 1x5k h HIS 67 N 0.00 0.35 -0.23 2.19 3.86 -2.01 -1.72 115.15 117.58 1x5k h HIS 67 Ca 0.56 0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.71 1x5k h HIS 67 Cb 2.86 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 31.23 1x5k h HIS 67 CO 0.00 0.15 -0.18 -0.44 0.86 0.00 0.00 177.93 178.32 1x5k h ASP 68 N 0.39 0.40 -3.79 2.45 3.32 -0.29 -3.44 116.42 115.46 1x5k h ASP 68 Ca 0.20 -0.11 -0.53 0.00 0.02 0.00 0.00 57.03 56.61 1x5k h ASP 68 Cb 0.16 -0.11 0.09 0.00 0.22 0.00 0.00 39.33 39.70 1x5k h ASP 68 CO -0.18 0.60 0.78 0.26 -1.72 0.00 0.00 179.24 178.98 1x5k s TRP 69 N -4.63 2.71 0.54 4.55 0.52 -0.65 -4.98 118.94 117.00 1x5k s TRP 69 Ca -0.06 1.12 -0.17 0.00 0.02 0.00 0.00 56.10 57.01 1x5k s TRP 69 Cb 0.15 -3.97 -0.06 0.00 -1.15 0.00 0.00 33.47 28.43 1x5k s TRP 69 CO 0.77 -2.92 1.02 0.54 0.02 0.00 0.00 176.95 176.38 1x5k s VAL 70 N -0.86 4.08 -0.35 4.03 0.11 -1.11 -4.90 120.40 121.40 1x5k s VAL 70 Ca 0.54 1.06 -0.08 0.00 -2.93 0.00 0.00 61.98 60.57 1x5k s VAL 70 Cb -0.45 -3.52 0.03 0.00 -1.53 0.00 0.00 36.38 30.91 1x5k s VAL 70 CO 0.58 -0.51 0.14 -0.63 -3.33 0.00 0.00 175.10 171.35 1x5k s ILE 71 N -2.42 4.08 -0.79 7.04 1.01 -1.26 -3.71 121.20 125.16 1x5k s ILE 71 Ca 0.63 -1.00 -0.04 0.00 0.00 0.00 0.00 60.65 60.24 1x5k s ILE 71 Cb -0.14 -3.28 0.20 0.00 0.01 0.00 0.00 42.46 39.25 1x5k s ILE 71 CO 0.31 -0.18 0.65 -1.61 0.00 0.00 0.00 174.94 174.11 1x5k s GLU 72 N 1.46 3.06 0.02 2.79 0.41 -0.36 -4.96 118.70 121.13 1x5k s GLU 72 Ca -0.00 -2.90 -0.30 0.00 -0.41 0.00 0.00 54.97 51.36 1x5k s GLU 72 Cb -0.19 -3.94 -0.06 0.00 -1.78 0.00 0.00 34.13 28.16 1x5k s GLU 72 CO 0.04 -1.23 1.43 -1.25 -0.49 0.00 0.00 175.26 173.76 1x5k s PRO 73 N -0.68 4.28 0.20 0.39 0.04 -1.26 -1.66 135.00 136.31 1x5k s PRO 73 Ca 0.22 2.02 -0.12 0.00 0.04 0.00 0.00 61.00 63.17 1x5k s PRO 73 Cb -0.13 -3.53 -0.07 0.00 0.04 0.00 0.00 34.50 30.81 1x5k s PRO 73 CO -0.08 -0.57 0.55 0.08 0.04 0.00 0.00 177.00 177.02 1x5k s VAL 74 N 2.26 4.90 0.44 -0.36 1.01 0.60 -5.00 120.40 124.24 1x5k s VAL 74 Ca 0.65 0.62 0.07 0.00 0.00 0.00 0.00 61.98 63.32 1x5k s VAL 74 Cb -0.33 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.38 1x5k s VAL 74 CO 0.28 0.05 0.38 0.68 0.00 0.00 0.00 175.10 176.49 1x5k s VAL 75 N -1.68 2.52 -1.50 2.92 -7.23 -1.26 -4.08 120.40 110.08 1x5k s VAL 75 Ca 0.44 -1.37 -0.15 0.00 -1.81 0.00 0.00 61.98 59.09 1x5k s VAL 75 Cb -0.13 -2.88 0.12 0.00 0.56 0.00 0.00 36.38 34.06 1x5k s VAL 75 CO 0.20 0.00 0.67 0.61 -0.31 0.00 0.00 175.10 176.28 1x5k n GLY 76 N -1.58 -0.47 3.73 2.32 0.00 -1.26 -0.76 105.19 107.18 1x5k n GLY 76 Ca 0.03 0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.50 -1.49 -4.75 1.61 0.23 -1.25 -4.82 115.26 102.29 1x5k n ASN 77 Ca 0.05 -0.58 -0.41 0.00 -0.53 0.00 0.00 54.58 53.11 1x5k n ASN 77 Cb 0.51 -1.35 -0.03 0.00 -2.08 0.00 0.00 39.78 36.83 1x5k n ASN 77 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 1x5k s ARG 78 N -6.30 4.41 0.00 -3.83 3.52 0.06 -4.92 118.95 111.89 1x5k s ARG 78 Ca 0.51 2.08 0.26 0.00 -0.13 0.00 0.00 55.73 58.45 1x5k s ARG 78 Cb -0.30 -3.16 0.70 0.00 -1.56 0.00 0.00 34.95 30.63 1x5k s ARG 78 CO 0.63 -0.18 1.53 1.28 -0.81 0.00 0.00 175.30 177.75 1x5k n LEU 79 N 1.93 1.44 -4.14 -0.88 4.77 -1.26 -4.78 117.00 114.08 1x5k n LEU 79 Ca 0.04 -0.45 -0.24 0.00 -0.03 0.00 0.00 56.01 55.33 1x5k n LEU 79 Cb 0.43 -0.06 -0.15 0.00 -2.33 0.00 0.00 43.42 41.30 1x5k n LEU 79 CO 0.58 0.26 -0.49 0.28 -1.33 0.00 0.00 177.39 176.68 1x5k s THR 80 N -2.32 1.28 -0.03 -5.08 -1.32 -1.26 -2.77 115.64 104.14 1x5k s THR 80 Ca 0.28 -0.69 0.02 0.00 -1.21 0.00 0.00 61.69 60.09 1x5k s THR 80 Cb 0.20 -1.07 0.01 0.00 -1.51 0.00 0.00 72.50 70.13 1x5k s THR 80 CO 0.46 0.36 -0.08 -2.28 -2.21 0.00 0.00 174.62 170.87 1x5k s HIS 81 N -0.33 0.89 -0.28 9.09 2.46 -1.13 -4.98 115.29 121.00 1x5k s HIS 81 Ca 0.05 -0.24 -0.14 0.00 0.47 0.00 0.00 55.06 55.21 1x5k s HIS 81 Cb -0.07 -0.68 -0.04 0.00 -0.13 0.00 0.00 32.58 31.67 1x5k s HIS 81 CO -0.00 -0.14 0.32 -0.65 -2.47 0.00 0.00 174.74 171.80 1x5k s GLN 82 N 0.44 3.94 -0.19 2.88 1.11 -1.26 -2.26 119.66 124.31 1x5k s GLN 82 Ca -0.07 -0.12 -0.02 0.00 0.01 0.00 0.00 55.36 55.16 1x5k s GLN 82 Cb -0.11 -3.68 -0.00 0.00 -1.01 0.00 0.00 33.01 28.22 1x5k s GLN 82 CO 0.01 -0.28 -0.10 0.42 0.01 0.00 0.00 175.29 175.34 1x5k s ILE 83 N 1.97 2.92 0.30 1.08 1.01 -0.86 -4.98 121.20 122.66 1x5k s ILE 83 Ca 0.12 -0.66 0.01 0.00 0.00 0.00 0.00 60.65 60.12 1x5k s ILE 83 Cb -0.16 -2.29 0.01 0.00 0.01 0.00 0.00 42.46 40.03 1x5k s ILE 83 CO 0.10 0.47 0.05 0.00 0.00 0.00 0.00 174.94 175.56 1x5k n GLN 84 N 4.54 1.23 -2.81 2.79 6.02 -1.26 -1.46 117.38 126.43 1x5k n GLN 84 Ca -0.19 -2.15 -0.22 0.00 -0.01 0.00 0.00 57.00 54.43 1x5k n GLN 84 Cb 0.51 0.51 0.02 0.00 1.02 0.00 0.00 30.24 32.30 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 -0.84 -3.82 -3.05 -1.09 1.02 -1.26 -4.92 120.64 106.68 1x5k n GLU 85 Ca -0.10 0.95 -0.23 0.00 -0.02 0.00 0.00 57.16 57.76 1x5k n GLU 85 Cb 0.38 -5.75 0.01 0.00 -0.02 0.00 0.00 31.44 26.06 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 -6.47 3.69 0.11 -4.62 1.43 -1.25 -5.09 118.68 106.47 1x5k s LEU 86 Ca 0.20 0.24 -0.20 0.00 -1.03 0.00 0.00 54.13 53.35 1x5k s LEU 86 Cb -0.09 -3.13 -0.07 0.00 0.03 0.00 0.00 46.19 42.93 1x5k s LEU 86 CO 0.25 -0.66 0.61 -0.89 0.23 0.00 0.00 176.35 175.89 1x5k s THR 87 N -2.51 4.69 0.49 5.49 2.01 -1.26 -4.72 115.64 119.83 1x5k s THR 87 Ca 0.48 1.25 -0.02 0.00 0.31 0.00 0.00 61.69 63.70 1x5k s THR 87 Cb -0.10 -3.91 -0.01 0.00 0.01 0.00 0.00 72.50 68.49 1x5k s THR 87 CO 0.37 0.49 0.75 -0.76 -0.69 0.00 0.00 174.62 174.79 1x5k s LEU 88 N -1.27 3.54 -1.54 4.42 1.43 -1.26 -4.30 118.68 119.69 1x5k s LEU 88 Ca 0.32 0.53 -0.10 0.00 -1.03 0.00 0.00 54.13 53.85 1x5k s LEU 88 Cb -0.19 -3.40 0.08 0.00 0.03 0.00 0.00 46.19 42.70 1x5k s LEU 88 CO 0.20 -0.77 0.70 -0.67 0.23 0.00 0.00 176.35 176.04 1x5k n ASP 89 N -2.25 -2.44 -3.69 2.29 2.03 -1.23 -4.95 116.55 106.31 1x5k n ASP 89 Ca 0.02 -0.95 -0.12 0.00 0.52 0.00 0.00 54.79 54.26 1x5k n ASP 89 Cb 0.57 -3.19 -0.12 0.00 -0.72 0.00 0.00 41.12 37.66 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 -3.55 -0.23 -0.38 5.18 2.01 -1.26 -4.99 115.64 112.42 1x5k s THR 90 Ca 0.42 0.17 -0.28 0.00 0.31 0.00 0.00 61.69 62.31 1x5k s THR 90 Cb -0.22 -0.50 -0.01 0.00 0.01 0.00 0.00 72.50 71.78 1x5k s THR 90 CO 0.89 0.07 1.72 -2.16 -0.69 0.00 0.00 174.62 174.44 1x5k s PRO 91 N 1.82 3.32 -0.20 4.92 0.04 -1.26 -3.15 135.00 140.49 1x5k s PRO 91 Ca -0.05 1.24 -0.05 0.00 0.04 0.00 0.00 61.00 62.17 1x5k s PRO 91 Cb -0.11 -4.18 -0.03 0.00 0.04 0.00 0.00 34.50 30.23 1x5k s PRO 91 CO -0.10 -1.87 0.01 0.71 0.04 0.00 0.00 177.00 175.78 1x5k s TYR 92 N 6.76 3.05 -0.14 0.56 1.51 -1.08 -4.86 117.35 123.15 1x5k s TYR 92 Ca 0.74 -0.42 -0.22 0.00 -1.01 0.00 0.00 57.07 56.16 1x5k s TYR 92 Cb -0.19 -2.09 -0.03 0.00 -0.11 0.00 0.00 41.96 39.54 1x5k s TYR 92 CO 0.32 -0.22 0.68 0.71 -1.11 0.00 0.00 175.55 175.94 1x5k s TYR 93 N 0.98 3.46 0.05 2.71 1.51 -1.17 -1.96 117.35 122.92 1x5k s TYR 93 Ca 0.02 1.10 0.05 0.00 -1.01 0.00 0.00 57.07 57.23 1x5k s TYR 93 Cb -0.14 -2.82 -0.04 0.00 -0.11 0.00 0.00 41.96 38.85 1x5k s TYR 93 CO 0.02 -0.07 -0.10 -0.06 -1.11 0.00 0.00 175.55 174.23 1x5k s PHE 94 N 1.48 2.78 0.06 2.71 0.40 -0.39 -2.89 117.98 122.12 1x5k s PHE 94 Ca 0.33 -0.12 0.03 0.00 -0.60 0.00 0.00 56.93 56.57 1x5k s PHE 94 Cb -0.17 -1.52 -0.03 0.00 0.51 0.00 0.00 43.02 41.81 1x5k s PHE 94 CO 0.13 0.37 -0.09 0.15 0.70 0.00 0.00 175.22 176.48 1x5k s LYS 95 N -1.70 0.62 0.03 0.44 1.02 0.13 -0.86 119.74 119.42 1x5k s LYS 95 Ca 0.18 -0.87 0.04 0.00 0.02 0.00 0.00 55.97 55.34 1x5k s LYS 95 Cb -0.11 -0.37 -0.02 0.00 -0.52 0.00 0.00 37.83 36.81 1x5k s LYS 95 CO 0.09 0.06 -0.11 0.42 -0.92 0.00 0.00 175.35 174.90 1x5k s ILE 96 N -1.65 0.87 0.04 2.17 1.01 -1.26 -1.37 121.20 121.00 1x5k s ILE 96 Ca -0.06 -0.87 -0.05 0.00 0.00 0.00 0.00 60.65 59.67 1x5k s ILE 96 Cb -0.08 -0.81 -0.01 0.00 0.01 0.00 0.00 42.46 41.57 1x5k s ILE 96 CO 0.00 -0.05 0.09 -1.58 0.00 0.00 0.00 174.94 173.40 1x5k s GLN 97 N -1.04 0.57 -0.15 2.79 0.74 -0.57 -3.11 119.66 118.90 1x5k s GLN 97 Ca -0.01 -0.75 -0.02 0.00 0.05 0.00 0.00 55.36 54.64 1x5k s GLN 97 Cb -0.07 0.22 -0.02 0.00 1.10 0.00 0.00 33.01 34.24 1x5k s GLN 97 CO 0.01 -0.14 -0.09 0.00 -0.55 0.00 0.00 175.29 174.52 1x5k s ALA 98 N -2.55 2.79 0.02 1.58 0.00 -1.26 -2.64 121.76 119.70 1x5k s ALA 98 Ca -0.05 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 51.06 1x5k s ALA 98 Cb -0.02 -1.38 -0.01 0.00 0.00 0.00 0.00 23.12 21.71 1x5k s ALA 98 CO -0.04 0.20 -0.09 0.50 0.00 0.00 0.00 175.76 176.32 1x5k s ARG 99 N 0.42 0.65 0.45 0.00 3.52 -0.42 -2.44 118.95 121.13 1x5k s ARG 99 Ca -0.07 -0.49 0.03 0.00 -0.13 0.00 0.00 55.73 55.07 1x5k s ARG 99 Cb -0.15 -0.59 -0.02 0.00 -1.56 0.00 0.00 34.95 32.63 1x5k s ARG 99 CO 0.04 0.15 0.06 0.54 -0.81 0.00 0.00 175.30 175.28 1x5k s ASN 100 N -0.71 3.44 0.64 -2.12 4.22 0.11 -2.15 114.94 118.37 1x5k s ASN 100 Ca -0.00 -1.64 0.20 0.00 -2.14 0.00 0.00 52.86 49.28 1x5k s ASN 100 Cb -0.06 0.44 1.03 0.00 1.28 0.00 0.00 41.25 43.95 1x5k s ASN 100 CO 0.00 -0.86 1.56 0.28 -2.04 0.00 0.00 177.10 176.05 1x5k h SER 101 N 1.60 0.00 0.00 3.54 0.02 -1.97 -1.39 113.55 115.36 1x5k h SER 101 Ca -0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1x5k h SER 101 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1x5k h SER 101 CO 0.66 0.00 -0.04 0.11 -1.14 0.00 0.00 176.83 176.43 1x5k h LYS 102 N 0.00 0.00 0.00 3.45 6.56 -1.94 -3.51 116.57 121.13 1x5k h LYS 102 Ca 0.10 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.69 1x5k h LYS 102 Cb 1.44 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.10 1x5k h LYS 102 CO -0.00 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 177.80 1x5k n GLY 103 N 1.82 1.78 3.40 3.86 0.00 -0.52 -5.09 105.19 110.44 1x5k n GLY 103 Ca -0.01 -0.37 -0.22 0.00 0.00 0.00 0.00 46.02 45.43 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 1.87 1.47 0.00 1.61 1.00 -1.26 0.08 119.30 124.07 1x5k s MET 104 Ca 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 55.69 54.07 1x5k s MET 104 Cb 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 34.83 33.36 1x5k s MET 104 CO 0.00 0.28 0.00 0.41 0.00 0.00 0.00 175.02 175.71 1x5k n GLY 105 N -0.28 2.87 3.77 -0.03 0.00 -1.02 -4.84 105.19 105.66 1x5k n GLY 105 Ca -0.08 -2.07 -0.34 0.00 0.00 0.00 0.00 46.02 43.53 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 1.40 3.18 0.49 1.61 0.04 -1.26 -4.89 135.00 135.58 1x5k s PRO 106 Ca 0.00 1.54 -0.20 0.00 0.04 0.00 0.00 61.00 62.38 1x5k s PRO 106 Cb 0.00 -1.99 -0.08 0.00 0.04 0.00 0.00 34.50 32.47 1x5k s PRO 106 CO 0.00 -0.97 1.04 -1.64 0.04 0.00 0.00 177.00 175.46 1x5k s MET 107 N -3.54 3.78 0.74 4.56 -1.94 -1.26 -4.59 119.30 117.05 1x5k s MET 107 Ca 0.71 1.34 -0.06 0.00 -1.71 0.00 0.00 55.69 55.97 1x5k s MET 107 Cb -0.23 -2.09 0.10 0.00 2.01 0.00 0.00 34.83 34.62 1x5k s MET 107 CO 0.31 -0.44 1.04 -1.54 -0.01 0.00 0.00 175.02 174.38 1x5k s SER 108 N -2.05 4.40 0.38 3.03 1.04 -1.18 -4.92 113.70 114.40 1x5k s SER 108 Ca 0.67 0.14 -0.26 0.00 0.48 0.00 0.00 55.95 56.98 1x5k s SER 108 Cb -0.16 -0.62 -0.09 0.00 0.10 0.00 0.00 66.02 65.25 1x5k s SER 108 CO 0.21 -1.84 1.18 -1.61 0.98 0.00 0.00 173.24 172.16 1x5k s GLU 109 N -5.29 4.15 -0.06 4.02 2.02 -1.26 -4.79 118.70 117.48 1x5k s GLU 109 Ca 0.64 1.89 -0.30 0.00 0.02 0.00 0.00 54.97 57.22 1x5k s GLU 109 Cb -0.08 -2.78 -0.05 0.00 0.10 0.00 0.00 34.13 31.33 1x5k s GLU 109 CO 0.46 -0.25 1.55 0.00 0.02 0.00 0.00 175.26 177.03 1x5k s ALA 110 N -1.35 3.63 -0.46 5.21 0.00 -1.26 -4.72 121.76 122.80 1x5k s ALA 110 Ca 0.55 0.85 -0.18 0.00 0.00 0.00 0.00 51.96 53.18 1x5k s ALA 110 Cb -0.32 -3.70 0.05 0.00 0.00 0.00 0.00 23.12 19.14 1x5k s ALA 110 CO 0.41 -1.29 0.51 0.08 0.00 0.00 0.00 175.76 175.47 1x5k s VAL 111 N 3.69 5.03 -0.70 0.00 1.01 -0.04 -4.86 120.40 124.52 1x5k s VAL 111 Ca 0.69 -0.53 -0.27 0.00 0.00 0.00 0.00 61.98 61.87 1x5k s VAL 111 Cb -0.31 -4.16 0.02 0.00 0.00 0.00 0.00 36.38 31.93 1x5k s VAL 111 CO 0.26 -0.60 1.38 -1.58 0.00 0.00 0.00 175.10 174.56 1x5k s GLN 112 N 2.25 3.13 -0.27 2.72 0.74 -1.26 -1.27 119.66 125.69 1x5k s GLN 112 Ca 0.12 -0.03 -0.05 0.00 0.05 0.00 0.00 55.36 55.45 1x5k s GLN 112 Cb -0.19 -4.20 0.01 0.00 1.10 0.00 0.00 33.01 29.73 1x5k s GLN 112 CO 0.12 -2.20 0.03 0.12 -0.55 0.00 0.00 175.29 172.80 1x5k s PHE 113 N 6.24 3.11 -0.12 1.67 2.19 -0.83 -4.94 117.98 125.29 1x5k s PHE 113 Ca 0.42 -1.13 -0.29 0.00 0.33 0.00 0.00 56.93 56.25 1x5k s PHE 113 Cb -0.09 -2.18 -0.03 0.00 -1.31 0.00 0.00 43.02 39.41 1x5k s PHE 113 CO 0.17 -0.61 1.40 0.50 1.83 0.00 0.00 175.22 178.51 1x5k s ARG 114 N 1.45 4.21 0.55 10.12 3.52 -1.26 -2.63 118.95 134.91 1x5k s ARG 114 Ca 0.02 1.85 -0.22 0.00 -0.13 0.00 0.00 55.73 57.26 1x5k s ARG 114 Cb -0.17 -3.84 -0.05 0.00 -1.56 0.00 0.00 34.95 29.34 1x5k s ARG 114 CO -0.00 -0.75 1.37 0.95 -0.81 0.00 0.00 175.30 176.05 1x5k s THR 115 N 3.68 2.01 0.00 4.11 -4.23 -1.19 -4.99 115.64 115.03 1x5k s THR 115 Ca 0.61 0.01 0.00 0.00 -1.18 0.00 0.00 61.69 61.13 1x5k s THR 115 Cb -0.26 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 70.58 1x5k s THR 115 CO 0.20 -0.00 0.00 -0.81 -0.54 0.00 0.00 174.62 173.47 1x5k n PRO 116 N -1.08 0.27 -4.09 3.99 -0.04 -1.26 -3.88 135.00 128.91 1x5k n PRO 116 Ca 0.11 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.49 1x5k n PRO 116 Cb 0.45 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.81 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 -1.09 0.74 -0.37 0.54 -0.14 -1.26 -3.48 119.74 114.68 1x5k s LYS 117 Ca 0.00 -1.27 -0.01 0.00 -1.36 0.00 0.00 55.97 53.33 1x5k s LYS 117 Cb 0.00 0.23 0.23 0.00 -1.68 0.00 0.00 37.83 36.61 1x5k s LYS 117 CO 0.00 -0.18 2.09 0.00 -0.76 0.00 0.00 175.35 176.50 1x5k n ALA 118 N 0.02 5.37 -3.71 5.17 0.00 -1.26 -4.74 120.51 121.37 1x5k n ALA 118 Ca -0.11 -1.98 -0.17 0.00 0.00 0.00 0.00 53.44 51.18 1x5k n ALA 118 Cb 0.62 -1.48 -0.16 0.00 0.00 0.00 0.00 19.45 18.43 1x5k n ALA 118 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1x5k s SER 119 N -0.03 0.44 0.00 0.00 1.04 -1.26 -5.05 113.70 108.84 1x5k s SER 119 Ca 0.37 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.78 1x5k s SER 119 Cb 0.28 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.18 1x5k s SER 119 CO -0.02 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.70 1x5k n GLY 120 N 4.16 -1.27 3.66 7.32 0.00 -1.26 -5.16 105.19 112.64 1x5k n GLY 120 Ca -0.26 0.64 -0.29 0.00 0.00 0.00 0.00 46.02 46.11 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 0.48 0.15 -0.08 1.61 0.04 -1.26 -5.02 135.00 130.92 1x5k s PRO 121 Ca 0.00 0.42 -0.20 0.00 0.04 0.00 0.00 61.00 61.26 1x5k s PRO 121 Cb 0.00 -1.71 -0.04 0.00 0.04 0.00 0.00 34.50 32.78 1x5k s PRO 121 CO 0.00 -2.90 0.55 0.45 0.04 0.00 0.00 177.00 175.14 1x5k s SER 122 N -3.51 6.82 0.59 6.66 0.15 -1.26 -5.07 113.70 118.08 1x5k s SER 122 Ca 0.66 0.99 -0.06 0.00 0.70 0.00 0.00 55.95 58.24 1x5k s SER 122 Cb -0.18 -2.33 0.01 0.00 -1.71 0.00 0.00 66.02 61.81 1x5k s SER 122 CO 0.57 0.01 0.89 -0.44 1.20 0.00 0.00 173.24 175.48 1x5k s SER 123 N 0.42 5.60 0.00 5.45 0.01 -1.26 -5.31 113.70 118.62 1x5k s SER 123 Ca 0.30 0.70 0.00 0.00 1.31 0.00 0.00 55.95 58.26 1x5k s SER 123 Cb -0.16 -1.70 0.00 0.00 0.21 0.00 0.00 66.02 64.36 1x5k s SER 123 CO 0.14 -1.05 0.00 0.61 0.41 0.00 0.00 173.24 173.35