#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 3.91 0.14 1.61 0.01 -1.26 -5.15 113.70 112.97 1x5k s SER 2 Ca 0.00 -1.38 -0.00 0.00 1.31 0.00 0.00 55.95 55.87 1x5k s SER 2 Cb 0.00 -0.33 -0.04 0.00 0.21 0.00 0.00 66.02 65.86 1x5k s SER 2 CO 0.00 -0.48 0.31 -0.94 0.41 0.00 0.00 173.24 172.54 1x5k s SER 3 N -3.73 6.38 0.41 2.44 1.04 -1.26 -4.98 113.70 114.00 1x5k s SER 3 Ca 0.33 0.33 0.00 0.00 0.48 0.00 0.00 55.95 57.09 1x5k s SER 3 Cb 0.09 -1.98 0.00 0.00 0.10 0.00 0.00 66.02 64.23 1x5k s SER 3 CO 0.17 0.05 0.00 0.61 0.98 0.00 0.00 173.24 175.05 1x5k n GLY 4 N -0.28 -1.42 3.64 7.32 0.00 -1.26 -5.11 105.19 108.09 1x5k n GLY 4 Ca -0.05 0.27 -0.49 0.00 0.00 0.00 0.00 46.02 45.75 1x5k n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x5k n SER 5 N -3.42 2.59 -4.19 1.61 7.64 -1.26 -4.98 113.62 111.62 1x5k n SER 5 Ca 0.00 1.09 -0.11 0.00 1.01 0.00 0.00 58.87 60.86 1x5k n SER 5 Cb 0.00 -1.33 -0.10 0.00 -1.01 0.00 0.00 64.21 61.77 1x5k n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x5k s SER 6 N 1.03 1.25 0.23 6.43 1.04 -1.26 -5.14 113.70 117.27 1x5k s SER 6 Ca 0.82 -1.02 -0.26 0.00 0.48 0.00 0.00 55.95 55.98 1x5k s SER 6 Cb -0.79 0.08 -0.09 0.00 0.10 0.00 0.00 66.02 65.33 1x5k s SER 6 CO 0.43 -0.45 0.85 -0.83 0.98 0.00 0.00 173.24 174.22 1x5k s GLY 7 N -3.07 2.91 -0.19 7.32 0.00 -1.26 -5.06 107.32 107.97 1x5k s GLY 7 Ca 0.13 0.44 -0.04 0.00 0.00 0.00 0.00 44.72 45.25 1x5k s GLY 7 CO -0.04 0.93 -0.03 -1.08 0.00 0.00 0.00 173.10 172.88 1x5k s THR 8 N -1.31 3.73 -0.36 0.90 -1.32 -1.26 -5.08 115.64 110.93 1x5k s THR 8 Ca 0.41 -0.40 -0.21 0.00 -1.21 0.00 0.00 61.69 60.29 1x5k s THR 8 Cb -0.22 -2.67 0.00 0.00 -1.51 0.00 0.00 72.50 68.11 1x5k s THR 8 CO 0.27 0.45 0.64 0.00 -2.21 0.00 0.00 174.62 173.77 1x5k s ALA 9 N 0.91 3.45 -0.47 11.08 0.00 -1.26 -4.94 121.76 130.53 1x5k s ALA 9 Ca 0.00 -0.85 -0.02 0.00 0.00 0.00 0.00 51.96 51.09 1x5k s ALA 9 Cb -0.14 -3.18 0.26 0.00 0.00 0.00 0.00 23.12 20.05 1x5k s ALA 9 CO 0.01 -1.35 2.15 -2.39 0.00 0.00 0.00 175.76 174.18 1x5k n HIS 10 N 6.06 2.10 0.00 0.00 -0.00 -1.26 -4.87 115.22 117.24 1x5k n HIS 10 Ca -0.01 -2.28 0.00 0.00 -0.00 0.00 0.00 57.72 55.43 1x5k n HIS 10 Cb 0.49 -1.18 0.00 0.00 -0.00 0.00 0.00 29.99 29.30 1x5k n HIS 10 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1x5k n GLY 11 N 0.04 4.45 2.97 -1.39 0.00 -1.26 -5.15 105.19 104.85 1x5k n GLY 11 Ca 0.43 -1.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.32 1x5k n GLY 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x5k s THR 12 N -0.63 -0.03 -0.25 2.61 -4.23 -1.26 -5.05 115.64 106.80 1x5k s THR 12 Ca 0.00 0.12 -0.07 0.00 -1.18 0.00 0.00 61.69 60.55 1x5k s THR 12 Cb 0.00 -0.24 -0.13 0.00 1.34 0.00 0.00 72.50 73.47 1x5k s THR 12 CO 0.00 0.05 -0.28 0.35 -0.54 0.00 0.00 174.62 174.19 1x5k n THR 13 N 3.79 1.37 -1.73 3.99 -2.24 -1.26 -4.99 114.28 113.22 1x5k n THR 13 Ca -0.22 -0.42 -0.39 0.00 -2.27 0.00 0.00 64.05 60.76 1x5k n THR 13 Cb 0.54 -1.65 0.04 0.00 -2.10 0.00 0.00 70.33 67.16 1x5k n THR 13 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1x5k n PHE 14 N -3.78 2.20 -4.06 4.78 7.35 -1.26 -5.02 117.46 117.67 1x5k n PHE 14 Ca -0.47 0.44 -0.12 0.00 -0.76 0.00 0.00 57.45 56.54 1x5k n PHE 14 Cb 0.89 -2.36 -0.05 0.00 0.35 0.00 0.00 39.48 38.31 1x5k n PHE 14 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 1x5k s GLU 15 N -2.75 1.68 -0.17 -4.13 2.56 -1.26 -5.15 118.70 109.47 1x5k s GLU 15 Ca 0.70 -1.54 0.00 0.00 0.00 0.00 0.00 54.97 54.13 1x5k s GLU 15 Cb -0.43 0.43 0.04 0.00 2.00 0.00 0.00 34.13 36.17 1x5k s GLU 15 CO 0.51 -0.68 -0.08 -0.51 -0.56 0.00 0.00 175.26 173.93 1x5k s LEU 16 N -3.14 1.81 0.75 2.70 2.01 -1.26 -5.03 118.68 116.51 1x5k s LEU 16 Ca 0.28 -0.68 -0.16 0.00 0.01 0.00 0.00 54.13 53.59 1x5k s LEU 16 Cb 0.00 -1.05 -0.01 0.00 0.01 0.00 0.00 46.19 45.15 1x5k s LEU 16 CO 0.15 -0.15 0.69 1.33 1.01 0.00 0.00 176.35 179.38 1x5k n VAL 17 N 4.80 1.94 -2.04 -1.59 0.24 -1.26 -3.69 118.33 116.73 1x5k n VAL 17 Ca -0.14 -0.36 -0.37 0.00 -2.04 0.00 0.00 64.34 61.44 1x5k n VAL 17 Cb 0.48 -0.86 -0.03 0.00 -1.47 0.00 0.00 33.84 31.95 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 -3.09 2.61 -0.04 7.34 0.04 -1.26 -4.75 135.00 135.86 1x5k s PRO 18 Ca 0.68 0.49 0.02 0.00 0.04 0.00 0.00 61.00 62.22 1x5k s PRO 18 Cb -0.33 -4.48 0.11 0.00 0.04 0.00 0.00 34.50 29.84 1x5k s PRO 18 CO 0.56 -2.82 0.75 -2.37 0.04 0.00 0.00 177.00 173.16 1x5k n THR 19 N 7.30 0.55 -4.54 1.26 5.66 -1.26 -3.99 114.28 119.26 1x5k n THR 19 Ca 0.23 -0.21 -0.22 0.00 -3.05 0.00 0.00 64.05 60.80 1x5k n THR 19 Cb 0.51 -0.54 -0.16 0.00 -1.55 0.00 0.00 70.33 68.59 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 0.02 1.52 0.69 1.09 0.15 -1.26 -4.81 113.70 111.10 1x5k s SER 20 Ca 0.08 -0.24 -0.14 0.00 0.70 0.00 0.00 55.95 56.35 1x5k s SER 20 Cb 0.06 -0.39 0.01 0.00 -1.71 0.00 0.00 66.02 64.00 1x5k s SER 20 CO 0.02 0.10 1.10 -2.16 1.20 0.00 0.00 173.24 173.51 1x5k s PRO 21 N 0.10 2.66 0.78 5.44 0.04 -1.26 -4.80 135.00 137.95 1x5k s PRO 21 Ca -0.02 1.33 -0.11 0.00 0.04 0.00 0.00 61.00 62.24 1x5k s PRO 21 Cb -0.09 -1.94 0.06 0.00 0.04 0.00 0.00 34.50 32.57 1x5k s PRO 21 CO 0.01 -1.35 1.09 -1.25 0.04 0.00 0.00 177.00 175.54 1x5k s PRO 22 N -4.31 2.23 0.35 0.56 0.04 -1.26 -4.56 135.00 128.05 1x5k s PRO 22 Ca 0.65 1.16 0.01 0.00 0.04 0.00 0.00 61.00 62.87 1x5k s PRO 22 Cb -0.20 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.46 1x5k s PRO 22 CO 0.45 -1.66 0.09 1.63 0.04 0.00 0.00 177.00 177.55 1x5k n LYS 23 N -3.54 1.10 -2.48 4.56 5.02 -0.54 -4.73 118.16 117.56 1x5k n LYS 23 Ca 0.09 -2.44 -0.17 0.00 -2.02 0.00 0.00 58.31 53.77 1x5k n LYS 23 Cb 0.53 0.54 -0.01 0.00 -0.02 0.00 0.00 35.03 36.07 1x5k n LYS 23 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1x5k n ASP 24 N -1.42 -5.04 -4.58 4.39 2.03 -1.26 0.21 116.55 110.88 1x5k n ASP 24 Ca -0.10 0.05 -0.41 0.00 0.52 0.00 0.00 54.79 54.84 1x5k n ASP 24 Cb 0.43 -4.21 -0.03 0.00 -0.72 0.00 0.00 41.12 36.59 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 -2.87 3.36 0.04 5.18 1.01 -1.26 -3.41 120.40 122.44 1x5k s VAL 25 Ca 0.03 0.33 0.04 0.00 0.00 0.00 0.00 61.98 62.37 1x5k s VAL 25 Cb -0.01 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 1x5k s VAL 25 CO 0.03 -0.46 -0.11 0.42 0.00 0.00 0.00 175.10 174.99 1x5k s THR 26 N 8.06 0.84 -0.24 3.92 -4.23 -0.92 -5.03 115.64 118.03 1x5k s THR 26 Ca 0.80 -0.94 -0.02 0.00 -1.18 0.00 0.00 61.69 60.36 1x5k s THR 26 Cb -0.20 -0.80 0.07 0.00 1.34 0.00 0.00 72.50 72.91 1x5k s THR 26 CO 0.30 -0.12 0.05 -0.69 -0.54 0.00 0.00 174.62 173.62 1x5k s VAL 27 N -0.94 0.77 0.35 2.29 1.01 -1.26 -2.11 120.40 120.50 1x5k s VAL 27 Ca -0.02 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 61.10 1x5k s VAL 27 Cb -0.08 -1.35 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 1x5k s VAL 27 CO 0.01 -0.36 0.12 0.68 0.00 0.00 0.00 175.10 175.54 1x5k s VAL 28 N 1.72 2.87 0.22 2.92 -7.23 0.10 -5.00 120.40 116.00 1x5k s VAL 28 Ca 0.02 -1.75 -0.04 0.00 -1.81 0.00 0.00 61.98 58.40 1x5k s VAL 28 Cb -0.17 -2.94 -0.05 0.00 0.56 0.00 0.00 36.38 33.78 1x5k s VAL 28 CO -0.14 -0.17 0.45 -0.94 -0.31 0.00 0.00 175.10 173.99 1x5k s SER 29 N -3.83 6.45 0.41 4.85 1.04 -1.26 -0.51 113.70 120.85 1x5k s SER 29 Ca 0.37 0.58 -0.24 0.00 0.48 0.00 0.00 55.95 57.15 1x5k s SER 29 Cb -0.01 -2.09 -0.09 0.00 0.10 0.00 0.00 66.02 63.93 1x5k s SER 29 CO 0.22 -0.07 1.08 -0.75 0.98 0.00 0.00 173.24 174.70 1x5k s LYS 30 N -3.21 4.07 -0.57 4.02 2.47 -0.04 -4.62 119.74 121.87 1x5k s LYS 30 Ca 0.41 1.59 -0.27 0.00 -1.56 0.00 0.00 55.97 56.15 1x5k s LYS 30 Cb -0.11 -2.53 0.03 0.00 -1.46 0.00 0.00 37.83 33.77 1x5k s LYS 30 CO 0.28 -0.24 1.09 -2.00 0.16 0.00 0.00 175.35 174.64 1x5k s GLU 31 N -2.52 3.44 0.00 4.03 2.12 -1.26 -3.77 118.70 120.73 1x5k s GLU 31 Ca 0.59 0.03 0.00 0.00 0.36 0.00 0.00 54.97 55.95 1x5k s GLU 31 Cb -0.24 -4.03 0.00 0.00 0.26 0.00 0.00 34.13 30.12 1x5k s GLU 31 CO 0.30 -1.61 0.00 0.41 -0.54 0.00 0.00 175.26 173.82 1x5k n GLY 32 N 5.09 3.11 3.29 -1.50 0.00 -1.26 -5.02 105.19 108.90 1x5k n GLY 32 Ca 0.06 -1.00 -0.38 0.00 0.00 0.00 0.00 46.02 44.70 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 2.72 0.26 1.61 2.47 -1.25 -4.97 119.74 120.58 1x5k s LYS 33 Ca 0.00 -1.11 0.04 0.00 -1.56 0.00 0.00 55.97 53.34 1x5k s LYS 33 Cb 0.00 -3.46 0.35 0.00 -1.46 0.00 0.00 37.83 33.26 1x5k s LYS 33 CO 0.00 -0.63 1.64 -1.00 0.16 0.00 0.00 175.35 175.52 1x5k h PRO 34 N 8.23 0.31 0.00 4.03 0.13 -1.90 -2.68 132.00 140.12 1x5k h PRO 34 Ca -0.25 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1x5k h PRO 34 Cb 1.09 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1x5k h PRO 34 CO 0.61 0.71 0.00 1.63 -0.23 0.00 0.00 178.00 180.72 1x5k n LYS 35 N -3.99 0.02 -4.52 0.86 5.02 -1.26 -4.54 118.16 109.75 1x5k n LYS 35 Ca -0.02 0.18 -0.32 0.00 -2.02 0.00 0.00 58.31 56.13 1x5k n LYS 35 Cb 0.52 -1.54 -0.11 0.00 -0.02 0.00 0.00 35.03 33.89 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 -3.02 3.60 0.10 -0.18 2.01 -1.01 -2.23 115.64 114.90 1x5k s THR 36 Ca 0.09 -0.73 -0.04 0.00 0.31 0.00 0.00 61.69 61.33 1x5k s THR 36 Cb 0.13 -2.54 -0.03 0.00 0.01 0.00 0.00 72.50 70.07 1x5k s THR 36 CO 0.37 0.44 0.08 0.27 -0.69 0.00 0.00 174.62 175.10 1x5k s ILE 37 N -0.94 0.14 -0.03 1.82 -4.36 -1.01 -0.86 121.20 115.96 1x5k s ILE 37 Ca 0.16 -1.67 0.07 0.00 -0.26 0.00 0.00 60.65 58.94 1x5k s ILE 37 Cb -0.11 -1.72 -0.01 0.00 1.25 0.00 0.00 42.46 41.87 1x5k s ILE 37 CO 0.06 -0.65 -0.23 -0.63 0.24 0.00 0.00 174.94 173.73 1x5k s ILE 38 N -3.96 1.85 -0.08 8.37 1.09 0.34 -2.34 121.20 126.46 1x5k s ILE 38 Ca 0.14 -0.98 0.02 0.00 -1.10 0.00 0.00 60.65 58.73 1x5k s ILE 38 Cb 0.07 -1.54 0.01 0.00 -1.06 0.00 0.00 42.46 39.94 1x5k s ILE 38 CO -0.05 0.52 -0.14 -0.69 -0.10 0.00 0.00 174.94 174.48 1x5k s VAL 39 N -0.40 1.33 0.37 2.92 1.01 -0.95 -0.72 120.40 123.94 1x5k s VAL 39 Ca 0.05 -0.57 0.08 0.00 0.00 0.00 0.00 61.98 61.55 1x5k s VAL 39 Cb -0.10 -1.21 -0.06 0.00 0.00 0.00 0.00 36.38 35.01 1x5k s VAL 39 CO 0.00 0.40 0.03 0.20 0.00 0.00 0.00 175.10 175.73 1x5k s ASN 40 N 0.81 4.10 0.06 3.32 0.01 -0.90 -1.98 114.94 120.37 1x5k s ASN 40 Ca -0.11 -1.10 -0.26 0.00 -0.71 0.00 0.00 52.86 50.67 1x5k s ASN 40 Cb -0.16 -0.47 0.09 0.00 0.41 0.00 0.00 41.25 41.12 1x5k s ASN 40 CO 0.02 -0.32 1.19 -1.66 -1.51 0.00 0.00 177.10 174.81 1x5k s TRP 41 N -2.58 0.04 0.04 2.20 -2.14 -0.93 -2.17 118.94 113.41 1x5k s TRP 41 Ca 0.36 -0.27 -0.00 0.00 2.66 0.00 0.00 56.10 58.85 1x5k s TRP 41 Cb 0.03 0.61 -0.03 0.00 -3.10 0.00 0.00 33.47 30.98 1x5k s TRP 41 CO 0.19 -0.52 -0.04 -0.65 -2.66 0.00 0.00 176.95 173.28 1x5k s GLN 42 N -2.09 0.50 0.49 3.25 -1.52 0.13 -4.80 119.66 115.63 1x5k s GLN 42 Ca 0.26 -0.96 -0.22 0.00 -1.95 0.00 0.00 55.36 52.49 1x5k s GLN 42 Cb -0.01 0.11 -0.07 0.00 -0.22 0.00 0.00 33.01 32.82 1x5k s GLN 42 CO 0.02 -0.07 1.15 -1.25 -0.25 0.00 0.00 175.29 174.88 1x5k s PRO 43 N -2.82 3.60 -0.03 2.91 0.04 -1.26 -1.47 135.00 135.97 1x5k s PRO 43 Ca -0.03 1.71 -0.30 0.00 0.04 0.00 0.00 61.00 62.42 1x5k s PRO 43 Cb -0.00 -2.25 -0.05 0.00 0.04 0.00 0.00 34.50 32.24 1x5k s PRO 43 CO -0.06 -0.67 1.47 -1.25 0.04 0.00 0.00 177.00 176.54 1x5k s PRO 44 N -2.93 4.24 0.49 0.56 0.04 -1.26 -4.64 135.00 131.50 1x5k s PRO 44 Ca 0.67 2.02 0.40 0.00 0.04 0.00 0.00 61.00 64.13 1x5k s PRO 44 Cb -0.27 -3.70 1.60 0.00 0.04 0.00 0.00 34.50 32.17 1x5k s PRO 44 CO 0.32 -0.68 1.57 0.43 0.04 0.00 0.00 177.00 178.68 1x5k n SER 45 N 6.00 0.12 0.45 6.66 7.64 -1.26 0.05 113.62 133.27 1x5k n SER 45 Ca 0.15 1.23 -0.19 0.00 1.01 0.00 0.00 58.87 61.07 1x5k n SER 45 Cb 0.43 -0.61 -0.09 0.00 -1.01 0.00 0.00 64.21 62.93 1x5k n SER 45 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1x5k h GLU 46 N 0.00 -1.08 -6.89 1.43 4.39 -1.97 -3.46 114.58 107.01 1x5k h GLU 46 Ca 0.91 0.07 -0.55 0.00 0.34 0.00 0.00 59.36 60.13 1x5k h GLU 46 Cb 3.25 0.25 -0.16 0.00 -0.10 0.00 0.00 28.75 31.98 1x5k h GLU 46 CO -0.28 -0.72 -0.87 0.00 -1.16 0.00 0.00 179.01 175.98 1x5k n ALA 47 N -2.59 -1.98 -0.59 3.43 0.00 0.11 -4.65 120.51 114.24 1x5k n ALA 47 Ca -0.15 -0.40 0.44 0.00 0.00 0.00 0.00 53.44 53.33 1x5k n ALA 47 Cb 0.45 -0.93 0.68 0.00 0.00 0.00 0.00 19.45 19.65 1x5k n ALA 47 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1x5k n ASN 48 N -2.45 0.00 -4.01 0.00 3.02 -1.26 -4.44 115.26 106.12 1x5k n ASN 48 Ca -0.27 0.82 -0.10 0.00 -0.03 0.00 0.00 54.58 55.01 1x5k n ASN 48 Cb 0.61 -0.41 -0.07 0.00 -0.61 0.00 0.00 39.78 39.29 1x5k n ASN 48 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1x5k s GLY 49 N -3.70 0.65 -0.35 7.41 0.00 -1.24 -4.55 107.32 105.53 1x5k s GLY 49 Ca -0.04 -1.04 -0.31 0.00 0.00 0.00 0.00 44.72 43.33 1x5k s GLY 49 CO 0.74 -0.93 2.26 1.17 0.00 0.00 0.00 173.10 176.34 1x5k n LYS 50 N -0.23 1.34 -1.74 2.90 4.81 -1.26 -4.85 118.16 119.13 1x5k n LYS 50 Ca -0.05 0.32 -0.43 0.00 -0.87 0.00 0.00 58.31 57.28 1x5k n LYS 50 Cb 0.63 -2.85 -0.03 0.00 0.02 0.00 0.00 35.03 32.80 1x5k n LYS 50 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1x5k s ILE 51 N 8.53 3.17 0.13 3.15 -1.09 -1.26 -3.97 121.20 129.86 1x5k s ILE 51 Ca 1.06 0.18 -0.10 0.00 -2.23 0.00 0.00 60.65 59.56 1x5k s ILE 51 Cb -0.58 -3.21 -0.09 0.00 -1.58 0.00 0.00 42.46 37.00 1x5k s ILE 51 CO 0.40 -0.11 1.41 0.71 -1.23 0.00 0.00 174.94 176.12 1x5k h THR 52 N 6.79 1.28 -0.13 2.92 1.35 -1.15 -3.48 112.91 120.49 1x5k h THR 52 Ca -0.40 -1.76 0.00 0.00 -0.55 0.00 0.00 66.41 63.70 1x5k h THR 52 Cb 1.22 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 69.31 1x5k h THR 52 CO 0.98 0.57 0.00 0.61 -0.25 0.00 0.00 175.52 177.43 1x5k n GLY 53 N 0.38 1.28 3.33 5.82 0.00 -1.17 -4.54 105.19 110.29 1x5k n GLY 53 Ca -0.04 -0.51 -0.15 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.77 -0.35 0.05 1.61 1.51 -1.25 -3.10 117.35 114.04 1x5k s TYR 54 Ca 0.00 0.62 0.08 0.00 -1.01 0.00 0.00 57.07 56.76 1x5k s TYR 54 Cb 0.00 0.19 -0.03 0.00 -0.11 0.00 0.00 41.96 42.02 1x5k s TYR 54 CO 0.00 -0.43 -0.22 0.42 -1.11 0.00 0.00 175.55 174.21 1x5k s ILE 55 N -1.09 1.79 -0.14 2.71 1.01 -1.23 0.29 121.20 124.54 1x5k s ILE 55 Ca -0.11 -1.26 0.00 0.00 0.00 0.00 0.00 60.65 59.28 1x5k s ILE 55 Cb -0.04 -1.55 -0.01 0.00 0.01 0.00 0.00 42.46 40.88 1x5k s ILE 55 CO 0.05 0.24 -0.15 -0.63 0.00 0.00 0.00 174.94 174.45 1x5k s ILE 56 N -0.81 2.76 -0.21 2.92 1.01 -0.22 -2.48 121.20 124.16 1x5k s ILE 56 Ca 0.09 -0.75 -0.05 0.00 0.00 0.00 0.00 60.65 59.93 1x5k s ILE 56 Cb -0.09 -2.15 -0.02 0.00 0.01 0.00 0.00 42.46 40.20 1x5k s ILE 56 CO 0.02 0.52 0.00 -0.31 0.00 0.00 0.00 174.94 175.17 1x5k s TYR 57 N 0.60 3.03 -0.05 3.97 2.02 0.10 -1.26 117.35 125.76 1x5k s TYR 57 Ca -0.09 -0.53 -0.05 0.00 -0.37 0.00 0.00 57.07 56.03 1x5k s TYR 57 Cb -0.16 -2.10 0.01 0.00 -0.40 0.00 0.00 41.96 39.31 1x5k s TYR 57 CO 0.03 -0.30 0.15 1.52 -1.57 0.00 0.00 175.55 175.37 1x5k s TYR 58 N 1.15 -0.14 0.24 2.71 -0.85 -1.24 -0.40 117.35 118.82 1x5k s TYR 58 Ca 0.03 0.33 -0.04 0.00 -0.52 0.00 0.00 57.07 56.87 1x5k s TYR 58 Cb -0.14 0.04 0.01 0.00 0.38 0.00 0.00 41.96 42.25 1x5k s TYR 58 CO 0.01 -0.10 0.38 0.45 -1.52 0.00 0.00 175.55 174.77 1x5k n SER 59 N 2.81 -1.07 -1.93 -0.18 2.88 -1.22 -2.73 113.62 112.18 1x5k n SER 59 Ca -0.14 -2.19 -0.13 0.00 -1.33 0.00 0.00 58.87 55.08 1x5k n SER 59 Cb 0.59 1.91 0.20 0.00 -0.75 0.00 0.00 64.21 66.16 1x5k n SER 59 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1x5k n THR 60 N -0.37 2.70 -3.52 2.46 -2.24 -1.26 -3.93 114.28 108.12 1x5k n THR 60 Ca -0.01 -1.48 -0.13 0.00 -2.27 0.00 0.00 64.05 60.15 1x5k n THR 60 Cb 0.39 -0.49 -0.05 0.00 -2.10 0.00 0.00 70.33 68.08 1x5k n THR 60 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x5k s ASP 61 N -0.84 -0.50 -0.01 3.42 -1.08 -1.26 -5.04 116.67 111.35 1x5k s ASP 61 Ca 0.47 0.40 0.17 0.00 -0.52 0.00 0.00 52.55 53.07 1x5k s ASP 61 Cb 0.39 0.44 -0.23 0.00 -1.46 0.00 0.00 42.92 42.06 1x5k s ASP 61 CO 0.10 -0.56 0.50 0.55 0.52 0.00 0.00 175.17 176.28 1x5k n VAL 62 N 0.49 0.00 0.70 1.11 3.14 -1.26 -4.34 118.33 118.17 1x5k n VAL 62 Ca -0.14 -0.27 0.11 0.00 -2.96 0.00 0.00 64.34 61.08 1x5k n VAL 62 Cb 0.59 0.49 0.05 0.00 -1.06 0.00 0.00 33.84 33.90 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 -1.79 0.64 -4.66 6.55 4.13 -1.26 -4.96 115.26 113.91 1x5k n ASN 63 Ca -0.00 -0.31 -0.33 0.00 1.68 0.00 0.00 54.58 55.62 1x5k n ASN 63 Cb 0.36 0.72 0.14 0.00 -1.54 0.00 0.00 39.78 39.46 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 -1.73 -0.44 -2.28 5.41 0.00 -1.26 -4.96 120.51 115.25 1x5k n ALA 64 Ca 0.03 -0.40 -0.40 0.00 0.00 0.00 0.00 53.44 52.66 1x5k n ALA 64 Cb 0.41 -2.20 -0.05 0.00 0.00 0.00 0.00 19.45 17.61 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 -4.17 4.57 0.39 0.00 2.02 -1.26 -4.90 118.70 115.35 1x5k s GLU 65 Ca 0.70 1.19 0.33 0.00 0.02 0.00 0.00 54.97 57.22 1x5k s GLU 65 Cb -0.27 -3.35 1.24 0.00 0.10 0.00 0.00 34.13 31.85 1x5k s GLU 65 CO 0.54 0.32 1.17 1.51 0.02 0.00 0.00 175.26 178.81 1x5k n ILE 66 N 2.58 -0.06 -0.08 -1.63 0.13 -1.26 0.13 119.36 119.17 1x5k n ILE 66 Ca -0.02 1.19 -0.07 0.00 -1.10 0.00 0.00 62.75 62.76 1x5k n ILE 66 Cb 0.50 -1.98 -0.01 0.00 -0.84 0.00 0.00 39.64 37.31 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 -0.16 -0.29 9.51 3.86 -2.01 -1.59 115.15 124.48 1x5k h HIS 67 Ca 0.69 0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.84 1x5k h HIS 67 Cb 2.61 0.12 -0.01 0.00 1.06 0.00 0.00 27.41 31.18 1x5k h HIS 67 CO -0.00 -0.13 -0.20 -0.44 0.86 0.00 0.00 177.93 178.02 1x5k h ASP 68 N 0.00 0.53 -1.98 2.45 3.32 0.76 -3.43 116.42 118.07 1x5k h ASP 68 Ca 0.14 -0.17 -0.63 0.00 0.02 0.00 0.00 57.03 56.40 1x5k h ASP 68 Cb 0.22 -0.14 0.02 0.00 0.22 0.00 0.00 39.33 39.65 1x5k h ASP 68 CO -0.31 0.74 1.03 0.79 -1.72 0.00 0.00 179.24 179.77 1x5k n TRP 69 N -4.15 2.27 -1.24 4.55 7.02 -0.60 -4.91 117.44 120.39 1x5k n TRP 69 Ca 0.00 0.10 -0.35 0.00 -1.02 0.00 0.00 57.50 56.24 1x5k n TRP 69 Cb 0.38 -2.62 0.10 0.00 -2.42 0.00 0.00 31.31 26.76 1x5k n TRP 69 CO 0.00 0.00 0.00 1.55 -2.02 0.00 0.00 177.69 177.22 1x5k n VAL 70 N 4.85 2.42 -3.79 -0.99 3.14 -1.10 -4.82 118.33 118.03 1x5k n VAL 70 Ca 0.22 -0.30 -0.37 0.00 -2.96 0.00 0.00 64.34 60.93 1x5k n VAL 70 Cb 0.27 -1.12 -0.12 0.00 -1.06 0.00 0.00 33.84 31.81 1x5k n VAL 70 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 1x5k s ILE 71 N -1.95 3.46 -0.82 1.55 1.01 -1.26 -3.71 121.20 119.49 1x5k s ILE 71 Ca 0.73 -1.44 -0.06 0.00 0.00 0.00 0.00 60.65 59.87 1x5k s ILE 71 Cb -0.32 -3.08 0.21 0.00 0.01 0.00 0.00 42.46 39.28 1x5k s ILE 71 CO 0.51 -0.30 0.71 -1.61 0.00 0.00 0.00 174.94 174.25 1x5k s GLU 72 N 1.30 3.26 0.16 2.79 0.41 -0.39 -4.95 118.70 121.27 1x5k s GLU 72 Ca -0.00 -2.82 -0.31 0.00 -0.41 0.00 0.00 54.97 51.43 1x5k s GLU 72 Cb -0.21 -4.09 -0.08 0.00 -1.78 0.00 0.00 34.13 27.97 1x5k s GLU 72 CO -0.00 -1.24 1.33 -1.25 -0.49 0.00 0.00 175.26 173.61 1x5k s PRO 73 N -0.53 4.37 -0.54 0.39 0.04 -1.26 -1.06 135.00 136.40 1x5k s PRO 73 Ca 0.22 2.04 -0.16 0.00 0.04 0.00 0.00 61.00 63.14 1x5k s PRO 73 Cb -0.13 -3.23 0.13 0.00 0.04 0.00 0.00 34.50 31.32 1x5k s PRO 73 CO -0.08 -0.32 0.51 0.08 0.04 0.00 0.00 177.00 177.22 1x5k s VAL 74 N 0.57 5.21 0.60 -0.36 1.01 0.15 -4.98 120.40 122.60 1x5k s VAL 74 Ca 0.60 -1.50 -0.20 0.00 0.00 0.00 0.00 61.98 60.88 1x5k s VAL 74 Cb -0.36 -4.34 -0.03 0.00 0.00 0.00 0.00 36.38 31.65 1x5k s VAL 74 CO 0.34 -0.88 1.33 0.68 0.00 0.00 0.00 175.10 176.58 1x5k s VAL 75 N 1.60 2.02 0.31 2.92 -7.23 -1.26 -3.89 120.40 114.86 1x5k s VAL 75 Ca 0.03 0.01 0.00 0.00 -1.81 0.00 0.00 61.98 60.22 1x5k s VAL 75 Cb -0.30 -3.01 0.00 0.00 0.56 0.00 0.00 36.38 33.64 1x5k s VAL 75 CO 0.03 -0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.43 1x5k n GLY 76 N 0.83 -2.29 0.01 2.32 0.00 -1.26 -3.91 105.19 100.89 1x5k n GLY 76 Ca 0.14 -1.24 0.02 0.00 0.00 0.00 0.00 46.02 44.94 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 -3.62 0.04 -3.09 1.61 6.94 -1.26 -4.72 115.26 111.17 1x5k n ASN 77 Ca -0.02 0.52 -0.31 0.00 -0.02 0.00 0.00 54.58 54.75 1x5k n ASN 77 Cb 0.45 -0.52 -0.00 0.00 -2.36 0.00 0.00 39.78 37.34 1x5k n ASN 77 CO 0.00 0.00 0.00 -1.14 -1.03 0.00 0.00 177.26 175.09 1x5k n ARG 78 N -1.55 0.00 -0.07 -3.83 0.63 -1.25 -4.89 116.66 105.70 1x5k n ARG 78 Ca 0.01 0.00 0.05 0.00 -0.92 0.00 0.00 57.85 56.98 1x5k n ARG 78 Cb 0.04 -0.72 0.06 0.00 0.45 0.00 0.00 32.46 32.30 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 1.64 1.90 -4.20 6.15 4.77 -1.26 -4.76 117.00 121.24 1x5k n LEU 79 Ca 0.09 -2.31 -0.17 0.00 -0.03 0.00 0.00 56.01 53.58 1x5k n LEU 79 Cb 0.27 -0.20 -0.11 0.00 -2.33 0.00 0.00 43.42 41.05 1x5k n LEU 79 CO 0.39 0.55 -0.45 0.28 -1.33 0.00 0.00 177.39 176.84 1x5k s THR 80 N -1.74 1.17 -0.02 -5.08 -1.32 -1.26 -2.19 115.64 105.20 1x5k s THR 80 Ca 0.15 -1.53 -0.06 0.00 -1.21 0.00 0.00 61.69 59.04 1x5k s THR 80 Cb 0.13 -1.30 0.01 0.00 -1.51 0.00 0.00 72.50 69.82 1x5k s THR 80 CO 0.01 -0.36 0.14 -2.28 -2.21 0.00 0.00 174.62 169.93 1x5k s HIS 81 N -1.82 -0.04 -0.26 9.09 2.46 -0.84 -5.00 115.29 118.89 1x5k s HIS 81 Ca 0.04 0.09 -0.03 0.00 0.47 0.00 0.00 55.06 55.62 1x5k s HIS 81 Cb -0.07 -0.01 0.01 0.00 -0.13 0.00 0.00 32.58 32.39 1x5k s HIS 81 CO 0.02 -0.20 -0.02 -0.65 -2.47 0.00 0.00 174.74 171.42 1x5k s GLN 82 N -0.77 3.01 -0.38 2.88 -0.21 -1.26 -2.24 119.66 120.68 1x5k s GLN 82 Ca -0.09 -0.88 -0.05 0.00 0.02 0.00 0.00 55.36 54.36 1x5k s GLN 82 Cb -0.05 -3.09 0.08 0.00 1.00 0.00 0.00 33.01 30.95 1x5k s GLN 82 CO 0.01 -0.37 0.17 0.42 -2.12 0.00 0.00 175.29 173.40 1x5k s ILE 83 N 1.40 3.65 0.57 1.08 1.01 -0.99 -4.99 121.20 122.94 1x5k s ILE 83 Ca 0.02 -1.57 0.08 0.00 0.00 0.00 0.00 60.65 59.18 1x5k s ILE 83 Cb -0.16 -3.27 0.07 0.00 0.01 0.00 0.00 42.46 39.11 1x5k s ILE 83 CO -0.02 -0.45 0.64 0.00 0.00 0.00 0.00 174.94 175.11 1x5k s GLN 84 N 1.30 2.26 -1.15 2.79 -2.07 -1.26 -2.42 119.66 119.11 1x5k s GLN 84 Ca 0.02 -1.84 -0.02 0.00 -1.82 0.00 0.00 55.36 51.71 1x5k s GLN 84 Cb -0.22 -2.40 0.00 0.00 -1.09 0.00 0.00 33.01 29.30 1x5k s GLN 84 CO -0.00 -0.80 0.97 0.39 -1.32 0.00 0.00 175.29 174.52 1x5k n GLU 85 N -2.07 -6.44 -3.57 9.60 1.02 -1.20 -4.93 120.64 113.06 1x5k n GLU 85 Ca 0.09 0.79 -0.24 0.00 -0.02 0.00 0.00 57.16 57.78 1x5k n GLU 85 Cb 0.63 -5.65 0.02 0.00 -0.02 0.00 0.00 31.44 26.42 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 -6.23 2.83 -0.00 -4.62 1.43 -0.95 -5.08 118.68 106.07 1x5k s LEU 86 Ca 0.11 -1.11 -0.01 0.00 -1.03 0.00 0.00 54.13 52.09 1x5k s LEU 86 Cb -0.05 -1.33 -0.04 0.00 0.03 0.00 0.00 46.19 44.80 1x5k s LEU 86 CO 0.68 -1.21 0.13 -0.89 0.23 0.00 0.00 176.35 175.29 1x5k s THR 87 N -2.74 5.08 0.66 5.49 2.01 -1.26 -4.79 115.64 120.08 1x5k s THR 87 Ca 0.44 -0.30 -0.01 0.00 0.31 0.00 0.00 61.69 62.13 1x5k s THR 87 Cb -0.04 -3.36 0.09 0.00 0.01 0.00 0.00 72.50 69.20 1x5k s THR 87 CO 0.28 0.32 0.92 -0.76 -0.69 0.00 0.00 174.62 174.69 1x5k s LEU 88 N -1.88 3.06 -1.74 4.42 1.43 -1.26 -4.34 118.68 118.37 1x5k s LEU 88 Ca 0.26 -0.13 -0.20 0.00 -1.03 0.00 0.00 54.13 53.03 1x5k s LEU 88 Cb -0.12 -2.44 0.20 0.00 0.03 0.00 0.00 46.19 43.85 1x5k s LEU 88 CO 0.17 -1.58 0.50 -0.67 0.23 0.00 0.00 176.35 175.00 1x5k n ASP 89 N -2.68 -1.43 -3.67 2.29 2.03 -1.23 -4.88 116.55 106.98 1x5k n ASP 89 Ca 0.12 -1.18 -0.14 0.00 0.52 0.00 0.00 54.79 54.12 1x5k n ASP 89 Cb 0.60 -1.50 -0.13 0.00 -0.72 0.00 0.00 41.12 39.37 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 -3.24 -0.39 -0.28 5.18 2.01 -1.26 -4.97 115.64 112.68 1x5k s THR 90 Ca 0.70 0.28 -0.29 0.00 0.31 0.00 0.00 61.69 62.69 1x5k s THR 90 Cb -0.41 -0.44 -0.02 0.00 0.01 0.00 0.00 72.50 71.65 1x5k s THR 90 CO 0.96 0.12 1.65 -2.16 -0.69 0.00 0.00 174.62 174.50 1x5k s PRO 91 N 2.36 3.60 -0.17 4.92 0.04 -1.26 -3.21 135.00 141.28 1x5k s PRO 91 Ca 0.01 1.48 -0.08 0.00 0.04 0.00 0.00 61.00 62.46 1x5k s PRO 91 Cb -0.12 -4.09 -0.04 0.00 0.04 0.00 0.00 34.50 30.29 1x5k s PRO 91 CO -0.08 -1.53 0.08 0.71 0.04 0.00 0.00 177.00 176.22 1x5k s TYR 92 N 5.83 3.32 -0.31 0.56 1.51 -1.01 -4.89 117.35 122.36 1x5k s TYR 92 Ca 0.73 0.19 -0.16 0.00 -1.01 0.00 0.00 57.07 56.82 1x5k s TYR 92 Cb -0.23 -2.06 -0.02 0.00 -0.11 0.00 0.00 41.96 39.54 1x5k s TYR 92 CO 0.31 0.28 0.44 0.71 -1.11 0.00 0.00 175.55 176.18 1x5k s TYR 93 N 0.11 3.22 0.11 2.71 1.51 -1.25 -2.16 117.35 121.60 1x5k s TYR 93 Ca 0.06 0.29 0.06 0.00 -1.01 0.00 0.00 57.07 56.47 1x5k s TYR 93 Cb -0.12 -2.72 -0.04 0.00 -0.11 0.00 0.00 41.96 38.97 1x5k s TYR 93 CO 0.00 -0.37 -0.03 -0.06 -1.11 0.00 0.00 175.55 173.98 1x5k s PHE 94 N 2.20 2.89 0.00 2.71 0.40 -0.67 -3.46 117.98 122.06 1x5k s PHE 94 Ca 0.16 -0.08 -0.02 0.00 -0.60 0.00 0.00 56.93 56.39 1x5k s PHE 94 Cb -0.16 -1.48 -0.01 0.00 0.51 0.00 0.00 43.02 41.89 1x5k s PHE 94 CO 0.11 0.47 0.02 0.15 0.70 0.00 0.00 175.22 176.68 1x5k s LYS 95 N -2.42 0.21 0.28 0.44 1.02 0.46 -0.19 119.74 119.54 1x5k s LYS 95 Ca 0.25 -0.27 0.12 0.00 0.02 0.00 0.00 55.97 56.09 1x5k s LYS 95 Cb -0.11 0.08 -0.05 0.00 -0.52 0.00 0.00 37.83 37.23 1x5k s LYS 95 CO 0.17 -0.04 -0.19 0.42 -0.92 0.00 0.00 175.35 174.80 1x5k s ILE 96 N -0.75 2.54 0.35 2.17 1.01 -1.26 -0.72 121.20 124.53 1x5k s ILE 96 Ca -0.08 -2.38 -0.15 0.00 0.00 0.00 0.00 60.65 58.04 1x5k s ILE 96 Cb -0.05 -2.34 0.04 0.00 0.01 0.00 0.00 42.46 40.12 1x5k s ILE 96 CO -0.00 -0.40 0.71 0.00 0.00 0.00 0.00 174.94 175.25 1x5k s GLN 97 N -3.52 2.05 -0.03 2.79 -2.07 -1.04 -3.03 119.66 114.82 1x5k s GLN 97 Ca 0.30 -1.38 -0.03 0.00 -1.82 0.00 0.00 55.36 52.43 1x5k s GLN 97 Cb -0.05 0.59 0.01 0.00 -1.09 0.00 0.00 33.01 32.46 1x5k s GLN 97 CO 0.15 -0.94 0.09 0.00 -1.32 0.00 0.00 175.29 173.28 1x5k s ALA 98 N -2.86 -0.22 0.05 2.60 0.00 -1.26 -3.54 121.76 116.52 1x5k s ALA 98 Ca 0.17 0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.34 1x5k s ALA 98 Cb -0.04 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.92 1x5k s ALA 98 CO 0.12 -0.06 -0.05 -0.98 0.00 0.00 0.00 175.76 174.79 1x5k s ARG 99 N -0.08 0.53 0.28 0.00 1.70 -1.18 -2.20 118.95 117.99 1x5k s ARG 99 Ca -0.01 -0.92 0.02 0.00 -0.47 0.00 0.00 55.73 54.34 1x5k s ARG 99 Cb -0.01 -0.02 -0.01 0.00 -0.57 0.00 0.00 34.95 34.34 1x5k s ARG 99 CO 0.00 -0.03 0.07 0.09 -1.08 0.00 0.00 175.30 174.35 1x5k n ASN 100 N 0.91 1.52 -0.15 -2.89 3.02 0.02 -0.56 115.26 117.13 1x5k n ASN 100 Ca -0.19 -2.41 0.27 0.00 -0.03 0.00 0.00 54.58 52.22 1x5k n ASN 100 Cb 0.57 0.57 0.51 0.00 -0.61 0.00 0.00 39.78 40.83 1x5k n ASN 100 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 1x5k h SER 101 N 0.99 0.00 0.00 6.41 0.87 -1.95 -2.35 113.55 117.52 1x5k h SER 101 Ca -0.22 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 1x5k h SER 101 Cb 0.79 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.75 1x5k h SER 101 CO 0.35 0.00 0.00 0.29 -0.53 0.00 0.00 176.83 176.94 1x5k n LYS 102 N -3.35 0.00 0.00 2.24 4.76 -1.26 -5.10 118.16 115.45 1x5k n LYS 102 Ca 0.20 0.21 0.00 0.00 -2.87 0.00 0.00 58.31 55.84 1x5k n LYS 102 Cb 1.33 -0.68 0.00 0.00 -1.84 0.00 0.00 35.03 33.84 1x5k n LYS 102 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x5k n GLY 103 N 2.26 2.36 3.99 0.72 0.00 -0.89 -5.08 105.19 108.55 1x5k n GLY 103 Ca 0.00 -0.70 -0.23 0.00 0.00 0.00 0.00 46.02 45.09 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 1.03 1.76 0.00 1.61 -1.94 -1.26 -0.80 119.30 119.70 1x5k s MET 104 Ca 0.00 -1.14 0.00 0.00 -1.71 0.00 0.00 55.69 52.84 1x5k s MET 104 Cb 0.00 -2.36 0.00 0.00 2.01 0.00 0.00 34.83 34.48 1x5k s MET 104 CO 0.00 -1.37 0.00 0.41 -0.01 0.00 0.00 175.02 174.05 1x5k n GLY 105 N -2.77 7.30 3.77 -0.03 0.00 -0.94 -4.65 105.19 107.87 1x5k n GLY 105 Ca 0.15 -1.93 -0.39 0.00 0.00 0.00 0.00 46.02 43.85 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 0.90 4.08 0.40 1.61 0.04 -1.26 -4.90 135.00 135.86 1x5k s PRO 106 Ca 0.00 1.91 -0.25 0.00 0.04 0.00 0.00 61.00 62.70 1x5k s PRO 106 Cb 0.00 -2.73 -0.09 0.00 0.04 0.00 0.00 34.50 31.72 1x5k s PRO 106 CO 0.00 -0.32 1.10 -1.64 0.04 0.00 0.00 177.00 176.18 1x5k s MET 107 N -2.22 4.13 0.92 4.56 -1.94 -1.26 -4.64 119.30 118.84 1x5k s MET 107 Ca 0.56 1.66 -0.14 0.00 -1.71 0.00 0.00 55.69 56.07 1x5k s MET 107 Cb -0.32 -2.62 0.18 0.00 2.01 0.00 0.00 34.83 34.07 1x5k s MET 107 CO 0.41 -0.21 1.27 -1.54 -0.01 0.00 0.00 175.02 174.94 1x5k s SER 108 N -1.36 3.40 0.10 3.03 1.04 -1.17 -4.97 113.70 113.78 1x5k s SER 108 Ca 0.57 0.23 -0.30 0.00 0.48 0.00 0.00 55.95 56.92 1x5k s SER 108 Cb -0.26 -0.35 -0.07 0.00 0.10 0.00 0.00 66.02 65.44 1x5k s SER 108 CO 0.33 -2.54 1.22 -1.61 0.98 0.00 0.00 173.24 171.61 1x5k s GLU 109 N -5.76 4.44 -0.19 4.02 0.41 -1.26 -4.84 118.70 115.51 1x5k s GLU 109 Ca 0.72 1.83 -0.34 0.00 -0.41 0.00 0.00 54.97 56.77 1x5k s GLU 109 Cb -0.05 -3.31 -0.11 0.00 -1.78 0.00 0.00 34.13 28.89 1x5k s GLU 109 CO 0.51 -0.23 2.00 0.00 -0.49 0.00 0.00 175.26 177.06 1x5k n ALA 110 N 3.54 0.97 -2.81 5.21 0.00 -1.26 -4.81 120.51 121.35 1x5k n ALA 110 Ca 0.08 0.13 -0.43 0.00 0.00 0.00 0.00 53.44 53.21 1x5k n ALA 110 Cb 0.45 -2.55 -0.04 0.00 0.00 0.00 0.00 19.45 17.31 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 5.51 4.46 -0.59 0.00 1.01 0.73 -4.88 120.40 126.65 1x5k s VAL 111 Ca 0.99 -0.27 -0.27 0.00 0.00 0.00 0.00 61.98 62.42 1x5k s VAL 111 Cb -0.72 -4.58 0.03 0.00 0.00 0.00 0.00 36.38 31.12 1x5k s VAL 111 CO 0.50 -1.25 1.16 -1.58 0.00 0.00 0.00 175.10 173.93 1x5k s GLN 112 N 3.71 3.46 -0.19 2.72 0.74 -1.26 -1.66 119.66 127.18 1x5k s GLN 112 Ca 0.22 0.13 0.01 0.00 0.05 0.00 0.00 55.36 55.78 1x5k s GLN 112 Cb -0.17 -4.03 0.03 0.00 1.10 0.00 0.00 33.01 29.94 1x5k s GLN 112 CO 0.12 -1.68 -0.15 0.12 -0.55 0.00 0.00 175.29 173.15 1x5k s PHE 113 N 4.84 2.66 0.24 1.67 2.19 -0.92 -4.98 117.98 123.68 1x5k s PHE 113 Ca 0.40 -1.67 -0.30 0.00 0.33 0.00 0.00 56.93 55.70 1x5k s PHE 113 Cb -0.08 -1.79 -0.09 0.00 -1.31 0.00 0.00 43.02 39.74 1x5k s PHE 113 CO 0.24 -0.78 1.20 0.50 1.83 0.00 0.00 175.22 178.20 1x5k s ARG 114 N 1.32 4.51 0.39 10.12 3.52 -1.26 -2.40 118.95 135.14 1x5k s ARG 114 Ca 0.01 1.93 -0.24 0.00 -0.13 0.00 0.00 55.73 57.30 1x5k s ARG 114 Cb -0.15 -3.19 -0.09 0.00 -1.56 0.00 0.00 34.95 29.96 1x5k s ARG 114 CO -0.10 -0.02 1.03 0.95 -0.81 0.00 0.00 175.30 176.34 1x5k s THR 115 N -0.59 3.84 0.00 4.11 -4.23 -1.20 -4.96 115.64 112.61 1x5k s THR 115 Ca 0.50 1.41 0.00 0.00 -1.18 0.00 0.00 61.69 62.42 1x5k s THR 115 Cb -0.34 -3.73 0.00 0.00 1.34 0.00 0.00 72.50 69.77 1x5k s THR 115 CO 0.41 0.01 0.00 -0.81 -0.54 0.00 0.00 174.62 173.69 1x5k n PRO 116 N 0.01 0.29 -4.14 3.99 -0.04 -1.26 -3.80 135.00 130.05 1x5k n PRO 116 Ca 0.05 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.41 1x5k n PRO 116 Cb 0.50 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.86 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 -1.05 0.79 -0.10 0.54 -0.14 -1.26 -3.54 119.74 114.99 1x5k s LYS 117 Ca 0.00 -1.33 -0.00 0.00 -1.36 0.00 0.00 55.97 53.27 1x5k s LYS 117 Cb 0.00 0.08 0.07 0.00 -1.68 0.00 0.00 37.83 36.30 1x5k s LYS 117 CO 0.00 -0.13 1.96 0.00 -0.76 0.00 0.00 175.35 176.42 1x5k n ALA 118 N -0.01 4.27 -3.60 5.17 0.00 -1.26 -4.70 120.51 120.37 1x5k n ALA 118 Ca -0.11 -0.50 -0.39 0.00 0.00 0.00 0.00 53.44 52.44 1x5k n ALA 118 Cb 0.62 -1.11 -0.07 0.00 0.00 0.00 0.00 19.45 18.89 1x5k n ALA 118 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x5k s SER 119 N 1.40 5.80 0.00 0.00 0.15 -1.26 -4.98 113.70 114.81 1x5k s SER 119 Ca 0.09 -3.05 0.00 0.00 0.70 0.00 0.00 55.95 53.69 1x5k s SER 119 Cb 0.07 -1.96 0.00 0.00 -1.71 0.00 0.00 66.02 62.43 1x5k s SER 119 CO -0.00 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.68 1x5k n GLY 120 N 3.29 1.86 3.59 9.45 0.00 -1.26 -5.18 105.19 116.94 1x5k n GLY 120 Ca 0.13 0.27 -0.30 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 0.00 -1.35 1.07 1.61 0.04 -1.26 -5.00 135.00 130.11 1x5k s PRO 121 Ca 0.00 -0.11 -0.16 0.00 0.04 0.00 0.00 61.00 60.77 1x5k s PRO 121 Cb 0.00 -1.58 0.11 0.00 0.04 0.00 0.00 34.50 33.06 1x5k s PRO 121 CO 0.00 -3.79 0.29 -1.13 0.04 0.00 0.00 177.00 172.41 1x5k n SER 122 N -4.81 -2.10 -4.58 6.66 3.41 -1.26 -5.01 113.62 105.93 1x5k n SER 122 Ca 0.14 0.03 -0.31 0.00 -0.26 0.00 0.00 58.87 58.46 1x5k n SER 122 Cb 0.60 -1.09 -0.10 0.00 -0.26 0.00 0.00 64.21 63.36 1x5k n SER 122 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x5k s SER 123 N -1.99 4.51 0.00 4.04 0.01 -1.26 -5.20 113.70 113.81 1x5k s SER 123 Ca 0.58 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.60 1x5k s SER 123 Cb -0.17 -0.97 0.00 0.00 0.21 0.00 0.00 66.02 65.09 1x5k s SER 123 CO 0.66 0.24 0.00 0.61 0.41 0.00 0.00 173.24 175.16