#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 3.94 0.21 1.61 0.15 -1.26 -5.11 113.70 113.24 1x5k s SER 2 Ca 0.00 -2.09 -0.30 0.00 0.70 0.00 0.00 55.95 54.25 1x5k s SER 2 Cb 0.00 -1.00 -0.09 0.00 -1.71 0.00 0.00 66.02 63.21 1x5k s SER 2 CO 0.00 -0.35 1.40 -0.44 1.20 0.00 0.00 173.24 175.05 1x5k s SER 3 N 1.03 6.75 0.00 5.45 0.01 -1.26 -4.91 113.70 120.78 1x5k s SER 3 Ca 0.13 2.53 0.00 0.00 1.31 0.00 0.00 55.95 59.92 1x5k s SER 3 Cb -0.20 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.41 1x5k s SER 3 CO -0.13 -0.64 0.00 0.61 0.41 0.00 0.00 173.24 173.49 1x5k n GLY 4 N 2.53 1.96 3.70 3.44 0.00 -1.26 -5.20 105.19 110.36 1x5k n GLY 4 Ca 0.08 0.12 -0.04 0.00 0.00 0.00 0.00 46.02 46.18 1x5k n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5k s SER 5 N 0.00 -0.19 -1.19 1.61 0.15 -1.26 -4.99 113.70 107.83 1x5k s SER 5 Ca 0.00 -0.30 -0.05 0.00 0.70 0.00 0.00 55.95 56.30 1x5k s SER 5 Cb 0.00 0.42 0.01 0.00 -1.71 0.00 0.00 66.02 64.74 1x5k s SER 5 CO 0.00 -0.77 1.03 -0.24 1.20 0.00 0.00 173.24 174.46 1x5k n SER 6 N -0.43 -4.49 -4.64 5.45 2.88 -1.26 -4.98 113.62 106.15 1x5k n SER 6 Ca -0.07 -0.53 -0.29 0.00 -1.33 0.00 0.00 58.87 56.66 1x5k n SER 6 Cb 0.61 -4.71 0.19 0.00 -0.75 0.00 0.00 64.21 59.55 1x5k n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x5k s GLY 7 N -3.67 1.58 -0.17 0.46 0.00 -1.26 -5.00 107.32 99.26 1x5k s GLY 7 Ca 0.33 -0.20 -0.18 0.00 0.00 0.00 0.00 44.72 44.67 1x5k s GLY 7 CO 0.67 0.40 0.48 -1.59 0.00 0.00 0.00 173.10 173.06 1x5k s THR 8 N -2.83 5.16 0.36 0.90 2.01 -1.26 -5.03 115.64 114.94 1x5k s THR 8 Ca 0.66 0.90 -0.25 0.00 0.31 0.00 0.00 61.69 63.31 1x5k s THR 8 Cb -0.20 -3.81 -0.13 0.00 0.01 0.00 0.00 72.50 68.37 1x5k s THR 8 CO 0.59 0.25 0.87 0.00 -0.69 0.00 0.00 174.62 175.64 1x5k n ALA 9 N 4.30 -0.55 -3.23 7.40 0.00 -1.26 -2.39 120.51 124.78 1x5k n ALA 9 Ca -0.06 0.29 -0.16 0.00 0.00 0.00 0.00 53.44 53.50 1x5k n ALA 9 Cb 0.51 -1.96 0.06 0.00 0.00 0.00 0.00 19.45 18.06 1x5k n ALA 9 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1x5k n HIS 10 N -0.29 -1.98 -3.76 0.00 -0.00 -1.26 -4.78 115.22 103.16 1x5k n HIS 10 Ca 0.10 0.74 0.00 0.00 -0.00 0.00 0.00 57.72 58.56 1x5k n HIS 10 Cb 0.36 -4.10 0.00 0.00 -0.00 0.00 0.00 29.99 26.24 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 -1.45 0.94 1.24 -1.41 0.00 -1.01 -4.75 105.19 98.76 1x5k n GLY 11 Ca -0.07 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1x5k n GLY 11 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1x5k n THR 12 N 0.00 0.66 -3.31 2.61 -1.04 -1.26 -4.57 114.28 107.37 1x5k n THR 12 Ca 0.00 0.22 -0.43 0.00 -2.04 0.00 0.00 64.05 61.80 1x5k n THR 12 Cb 0.00 -1.33 -0.08 0.00 -1.82 0.00 0.00 70.33 67.10 1x5k n THR 12 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1x5k s THR 13 N -2.00 5.08 0.20 12.58 2.01 -1.26 -5.04 115.64 127.21 1x5k s THR 13 Ca 0.00 -0.51 -0.32 0.00 0.31 0.00 0.00 61.69 61.18 1x5k s THR 13 Cb 0.00 -4.10 -0.11 0.00 0.01 0.00 0.00 72.50 68.30 1x5k s THR 13 CO 0.00 -0.51 1.66 0.72 -0.69 0.00 0.00 174.62 175.80 1x5k s PHE 14 N 2.12 2.95 0.98 4.92 -0.71 -1.26 -4.97 117.98 122.01 1x5k s PHE 14 Ca 0.11 0.47 -0.14 0.00 -1.04 0.00 0.00 56.93 56.33 1x5k s PHE 14 Cb -0.19 -4.07 0.21 0.00 -1.21 0.00 0.00 43.02 37.77 1x5k s PHE 14 CO 0.12 -3.97 0.48 0.39 -1.34 0.00 0.00 175.22 170.90 1x5k n GLU 15 N 3.84 -2.10 -3.52 1.99 4.71 -1.26 -5.03 120.64 119.26 1x5k n GLU 15 Ca 0.15 -0.80 -0.20 0.00 -0.01 0.00 0.00 57.16 56.29 1x5k n GLU 15 Cb 0.36 -1.38 -0.14 0.00 -1.01 0.00 0.00 31.44 29.28 1x5k n GLU 15 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1x5k s LEU 16 N 0.00 0.02 0.73 -4.62 1.43 -1.26 -5.11 118.68 109.86 1x5k s LEU 16 Ca 0.37 -0.33 -0.16 0.00 -1.03 0.00 0.00 54.13 52.98 1x5k s LEU 16 Cb -0.07 0.21 -0.03 0.00 0.03 0.00 0.00 46.19 46.34 1x5k s LEU 16 CO 0.31 -0.33 0.61 1.33 0.23 0.00 0.00 176.35 178.50 1x5k n VAL 17 N 5.31 1.88 -2.05 -1.59 0.24 -1.26 -3.57 118.33 117.29 1x5k n VAL 17 Ca -0.06 -0.38 -0.33 0.00 -2.04 0.00 0.00 64.34 61.53 1x5k n VAL 17 Cb 0.49 -0.80 -0.04 0.00 -1.47 0.00 0.00 33.84 32.02 1x5k n VAL 17 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1x5k s PRO 18 N -2.90 2.59 -0.12 7.34 0.04 -1.26 -4.81 135.00 135.88 1x5k s PRO 18 Ca 0.67 0.15 0.03 0.00 0.04 0.00 0.00 61.00 61.89 1x5k s PRO 18 Cb -0.34 -4.73 0.26 0.00 0.04 0.00 0.00 34.50 29.72 1x5k s PRO 18 CO 0.57 -3.06 1.13 -2.37 0.04 0.00 0.00 177.00 173.31 1x5k n THR 19 N 7.55 1.37 -4.72 1.26 5.66 -1.26 -3.75 114.28 120.39 1x5k n THR 19 Ca 0.30 -0.58 -0.23 0.00 -3.05 0.00 0.00 64.05 60.49 1x5k n THR 19 Cb 0.49 -0.63 -0.15 0.00 -1.55 0.00 0.00 70.33 68.50 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 1.81 0.77 1.09 0.15 -1.26 -4.76 113.70 111.48 1x5k s SER 20 Ca 0.19 -0.28 -0.11 0.00 0.70 0.00 0.00 55.95 56.46 1x5k s SER 20 Cb 0.16 -0.22 0.06 0.00 -1.71 0.00 0.00 66.02 64.30 1x5k s SER 20 CO 0.05 0.19 1.09 -2.16 1.20 0.00 0.00 173.24 173.61 1x5k s PRO 21 N -0.34 2.26 1.05 5.44 0.04 -1.26 -4.72 135.00 137.48 1x5k s PRO 21 Ca 0.05 1.18 -0.14 0.00 0.04 0.00 0.00 61.00 62.13 1x5k s PRO 21 Cb -0.06 -1.90 0.22 0.00 0.04 0.00 0.00 34.50 32.80 1x5k s PRO 21 CO -0.00 -1.64 1.10 -1.25 0.04 0.00 0.00 177.00 175.24 1x5k s PRO 22 N -4.88 -0.01 0.42 0.56 0.04 -1.26 -4.57 135.00 125.29 1x5k s PRO 22 Ca 0.61 0.37 0.02 0.00 0.04 0.00 0.00 61.00 62.05 1x5k s PRO 22 Cb -0.17 -1.70 -0.01 0.00 0.04 0.00 0.00 34.50 32.66 1x5k s PRO 22 CO 0.56 -3.00 0.07 1.63 0.04 0.00 0.00 177.00 176.30 1x5k n LYS 23 N -4.34 0.73 -3.54 4.56 5.02 -0.97 -4.79 118.16 114.84 1x5k n LYS 23 Ca 0.07 -3.28 -0.25 0.00 -2.02 0.00 0.00 58.31 52.82 1x5k n LYS 23 Cb 0.58 1.34 -0.02 0.00 -0.02 0.00 0.00 35.03 36.91 1x5k n LYS 23 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1x5k n ASP 24 N -1.43 -3.20 -4.60 4.39 9.92 -1.26 -1.61 116.55 118.76 1x5k n ASP 24 Ca -0.12 -0.49 -0.43 0.00 -0.53 0.00 0.00 54.79 53.22 1x5k n ASP 24 Cb 0.58 -2.67 -0.03 0.00 -0.64 0.00 0.00 41.12 38.36 1x5k n ASP 24 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1x5k s VAL 25 N -2.93 3.57 0.03 2.53 1.01 -1.26 -3.73 120.40 119.61 1x5k s VAL 25 Ca 0.46 0.58 0.01 0.00 0.00 0.00 0.00 61.98 63.03 1x5k s VAL 25 Cb -0.25 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 1x5k s VAL 25 CO 0.57 -0.48 -0.05 0.42 0.00 0.00 0.00 175.10 175.56 1x5k s THR 26 N 6.52 0.26 -0.18 3.92 -4.23 -0.16 -5.03 115.64 116.75 1x5k s THR 26 Ca 0.76 -0.97 -0.02 0.00 -1.18 0.00 0.00 61.69 60.28 1x5k s THR 26 Cb -0.21 -0.39 0.05 0.00 1.34 0.00 0.00 72.50 73.30 1x5k s THR 26 CO 0.34 -0.46 0.01 -0.69 -0.54 0.00 0.00 174.62 173.27 1x5k s VAL 27 N -1.44 0.73 0.45 2.29 1.01 -1.26 -1.11 120.40 121.07 1x5k s VAL 27 Ca -0.14 -0.58 0.06 0.00 0.00 0.00 0.00 61.98 61.32 1x5k s VAL 27 Cb -0.10 -1.12 0.06 0.00 0.00 0.00 0.00 36.38 35.22 1x5k s VAL 27 CO -0.01 -0.10 0.49 1.33 0.00 0.00 0.00 175.10 176.82 1x5k n VAL 28 N 4.98 0.00 -4.28 2.92 0.24 -0.10 -5.00 118.33 117.09 1x5k n VAL 28 Ca -0.10 -1.65 -0.21 0.00 -2.04 0.00 0.00 64.34 60.34 1x5k n VAL 28 Cb 0.47 -0.36 -0.12 0.00 -1.47 0.00 0.00 33.84 32.36 1x5k n VAL 28 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1x5k s SER 29 N -3.74 2.36 -0.43 -1.34 0.15 -1.26 -2.57 113.70 106.87 1x5k s SER 29 Ca 0.37 -0.79 -0.19 0.00 0.70 0.00 0.00 55.95 56.05 1x5k s SER 29 Cb -0.03 -0.12 0.02 0.00 -1.71 0.00 0.00 66.02 64.19 1x5k s SER 29 CO 0.23 -0.05 0.53 -0.75 1.20 0.00 0.00 173.24 174.41 1x5k s LYS 30 N -2.46 3.17 0.28 5.44 2.20 -1.13 -4.80 119.74 122.44 1x5k s LYS 30 Ca 0.10 -0.61 -0.02 0.00 -0.36 0.00 0.00 55.97 55.08 1x5k s LYS 30 Cb -0.07 -3.97 0.43 0.00 -1.51 0.00 0.00 37.83 32.71 1x5k s LYS 30 CO 0.05 -0.93 1.91 1.49 -0.36 0.00 0.00 175.35 177.50 1x5k h GLU 31 N 8.80 1.12 0.00 4.03 4.81 -1.99 -0.43 114.58 130.92 1x5k h GLU 31 Ca -0.26 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 1x5k h GLU 31 Cb 1.10 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.23 1x5k h GLU 31 CO 0.84 0.74 0.00 0.78 -0.73 0.00 0.00 179.01 180.64 1x5k h GLY 32 N 1.15 0.00 -6.64 1.92 0.00 -1.97 -3.40 103.07 94.14 1x5k h GLY 32 Ca 0.39 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.42 1x5k h GLY 32 CO -0.13 0.00 -0.61 1.25 0.00 0.00 0.00 176.54 177.05 1x5k s LYS 33 N -3.55 0.26 0.48 4.80 2.47 -0.17 -5.01 119.74 119.01 1x5k s LYS 33 Ca 0.02 0.12 0.26 0.00 -1.56 0.00 0.00 55.97 54.82 1x5k s LYS 33 Cb 0.09 -0.90 1.11 0.00 -1.46 0.00 0.00 37.83 36.67 1x5k s LYS 33 CO 0.50 -0.79 1.91 -1.00 0.16 0.00 0.00 175.35 176.12 1x5k h PRO 34 N 8.28 0.00 -0.10 4.03 0.13 -1.77 -2.41 132.00 140.16 1x5k h PRO 34 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1x5k h PRO 34 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1x5k h PRO 34 CO 0.30 0.17 0.00 1.63 -0.23 0.00 0.00 178.00 179.87 1x5k n LYS 35 N -3.39 1.54 -4.27 0.86 5.02 -1.26 -4.39 118.16 112.26 1x5k n LYS 35 Ca -0.00 -0.80 -0.20 0.00 -2.02 0.00 0.00 58.31 55.29 1x5k n LYS 35 Cb 0.37 -1.40 -0.11 0.00 -0.02 0.00 0.00 35.03 33.87 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 -1.88 1.52 0.13 -0.18 2.01 -0.91 0.09 115.64 116.42 1x5k s THR 36 Ca 0.33 -1.71 -0.05 0.00 0.31 0.00 0.00 61.69 60.58 1x5k s THR 36 Cb 0.17 -1.59 -0.03 0.00 0.01 0.00 0.00 72.50 71.07 1x5k s THR 36 CO 0.27 -0.31 0.14 0.27 -0.69 0.00 0.00 174.62 174.30 1x5k s ILE 37 N -1.87 0.11 -0.12 1.82 -4.36 -0.27 -2.81 121.20 113.69 1x5k s ILE 37 Ca 0.09 -1.64 0.01 0.00 -0.26 0.00 0.00 60.65 58.85 1x5k s ILE 37 Cb -0.06 -1.84 0.02 0.00 1.25 0.00 0.00 42.46 41.82 1x5k s ILE 37 CO 0.04 -0.49 -0.13 -0.63 0.24 0.00 0.00 174.94 173.97 1x5k s ILE 38 N -3.99 1.42 -0.28 8.37 1.09 -1.06 -2.22 121.20 124.53 1x5k s ILE 38 Ca 0.18 -0.56 -0.09 0.00 -1.10 0.00 0.00 60.65 59.07 1x5k s ILE 38 Cb 0.06 -1.33 -0.03 0.00 -1.06 0.00 0.00 42.46 40.10 1x5k s ILE 38 CO -0.02 0.43 0.13 -0.69 -0.10 0.00 0.00 174.94 174.69 1x5k s VAL 39 N 1.27 4.68 0.03 2.92 1.01 -0.89 -0.93 120.40 128.50 1x5k s VAL 39 Ca -0.01 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 61.84 1x5k s VAL 39 Cb -0.14 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 1x5k s VAL 39 CO -0.06 0.23 0.03 0.20 0.00 0.00 0.00 175.10 175.50 1x5k s ASN 40 N 1.66 5.26 0.20 3.32 -0.87 -0.27 -2.60 114.94 121.64 1x5k s ASN 40 Ca 0.06 -0.02 -0.11 0.00 -1.57 0.00 0.00 52.86 51.22 1x5k s ASN 40 Cb -0.16 -1.38 0.04 0.00 -0.02 0.00 0.00 41.25 39.73 1x5k s ASN 40 CO 0.06 0.24 0.56 -2.67 -2.57 0.00 0.00 177.10 172.73 1x5k n TRP 41 N 1.05 -1.57 -3.86 2.20 2.14 -1.08 -0.99 117.44 115.33 1x5k n TRP 41 Ca -0.13 -1.05 -0.09 0.00 2.07 0.00 0.00 57.50 58.31 1x5k n TRP 41 Cb 0.52 0.52 -0.07 0.00 -0.81 0.00 0.00 31.31 31.47 1x5k n TRP 41 CO 0.00 0.00 0.00 -0.65 2.07 0.00 0.00 177.69 179.11 1x5k s GLN 42 N -2.05 0.95 0.53 -2.67 -0.21 -0.63 -4.84 119.66 110.75 1x5k s GLN 42 Ca 0.12 -0.98 -0.20 0.00 0.02 0.00 0.00 55.36 54.31 1x5k s GLN 42 Cb -0.03 0.37 -0.06 0.00 1.00 0.00 0.00 33.01 34.29 1x5k s GLN 42 CO 0.06 -0.33 1.14 -1.25 -2.12 0.00 0.00 175.29 172.79 1x5k s PRO 43 N -3.88 3.43 0.74 2.91 0.04 -1.26 -2.29 135.00 134.68 1x5k s PRO 43 Ca 0.08 1.64 -0.12 0.00 0.04 0.00 0.00 61.00 62.64 1x5k s PRO 43 Cb 0.04 -2.08 0.04 0.00 0.04 0.00 0.00 34.50 32.54 1x5k s PRO 43 CO -0.08 -0.79 1.10 -1.25 0.04 0.00 0.00 177.00 176.01 1x5k s PRO 44 N -3.18 2.43 0.19 0.56 0.04 -1.26 -4.54 135.00 129.24 1x5k s PRO 44 Ca 0.71 1.25 -0.05 0.00 0.04 0.00 0.00 61.00 62.95 1x5k s PRO 44 Cb -0.25 -1.91 0.12 0.00 0.04 0.00 0.00 34.50 32.50 1x5k s PRO 44 CO 0.28 -1.52 1.54 1.03 0.04 0.00 0.00 177.00 178.38 1x5k h SER 45 N -0.74 0.73 -1.34 6.66 0.87 -1.95 -3.33 113.55 114.44 1x5k h SER 45 Ca -0.45 -0.34 -0.74 0.00 -1.23 0.00 0.00 61.79 59.04 1x5k h SER 45 Cb 1.24 -0.21 -0.14 0.00 -0.44 0.00 0.00 62.40 62.85 1x5k h SER 45 CO 0.52 1.05 2.04 -0.62 -0.53 0.00 0.00 176.83 179.29 1x5k n GLU 46 N -4.03 3.44 -1.41 2.24 -0.58 -1.26 -4.84 120.64 114.20 1x5k n GLU 46 Ca -0.02 -3.46 -0.27 0.00 -0.42 0.00 0.00 57.16 52.99 1x5k n GLU 46 Cb 0.54 -3.03 -0.08 0.00 -0.57 0.00 0.00 31.44 28.30 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 4.82 6.71 -0.49 0.62 0.00 -1.25 -4.70 120.51 126.20 1x5k n ALA 47 Ca 0.41 -2.97 0.41 0.00 0.00 0.00 0.00 53.44 51.29 1x5k n ALA 47 Cb 0.39 -2.55 0.63 0.00 0.00 0.00 0.00 19.45 17.92 1x5k n ALA 47 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1x5k n ASN 48 N 2.03 0.00 -3.98 0.00 0.23 -1.26 -4.25 115.26 108.02 1x5k n ASN 48 Ca 0.55 0.83 -0.11 0.00 -0.53 0.00 0.00 54.58 55.32 1x5k n ASN 48 Cb 0.55 -0.38 -0.12 0.00 -2.08 0.00 0.00 39.78 37.75 1x5k n ASN 48 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1x5k s GLY 49 N -3.61 0.28 0.29 4.83 0.00 -1.23 -4.44 107.32 103.44 1x5k s GLY 49 Ca -0.04 -0.51 -0.29 0.00 0.00 0.00 0.00 44.72 43.88 1x5k s GLY 49 CO 0.68 -0.56 1.23 1.17 0.00 0.00 0.00 173.10 175.62 1x5k n LYS 50 N 1.92 1.82 -3.36 2.90 4.81 -1.26 -4.89 118.16 120.10 1x5k n LYS 50 Ca -0.21 0.64 -0.36 0.00 -0.87 0.00 0.00 58.31 57.52 1x5k n LYS 50 Cb 0.56 -2.18 -0.06 0.00 0.02 0.00 0.00 35.03 33.38 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 -0.79 4.86 0.00 3.15 -1.09 -1.26 -4.24 121.20 121.82 1x5k s ILE 51 Ca 0.60 0.86 0.00 0.00 -2.23 0.00 0.00 60.65 59.89 1x5k s ILE 51 Cb -0.64 -3.75 0.00 0.00 -1.58 0.00 0.00 42.46 36.49 1x5k s ILE 51 CO 0.58 0.29 0.00 0.35 -1.23 0.00 0.00 174.94 174.93 1x5k n THR 52 N 0.95 0.00 -3.29 2.92 -2.24 -1.23 -4.98 114.28 106.41 1x5k n THR 52 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1x5k n THR 52 Cb 0.52 -0.95 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 1x5k n THR 52 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x5k n GLY 53 N 2.89 1.10 3.32 3.38 0.00 -1.24 -4.15 105.19 110.49 1x5k n GLY 53 Ca 0.00 -0.78 -0.09 0.00 0.00 0.00 0.00 46.02 45.15 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 -3.43 0.27 -0.07 1.61 1.51 -1.24 -3.40 117.35 112.60 1x5k s TYR 54 Ca 0.00 -0.65 0.03 0.00 -1.01 0.00 0.00 57.07 55.44 1x5k s TYR 54 Cb 0.00 -0.01 0.01 0.00 -0.11 0.00 0.00 41.96 41.85 1x5k s TYR 54 CO 0.00 -0.69 -0.15 0.42 -1.11 0.00 0.00 175.55 174.02 1x5k s ILE 55 N -3.93 1.33 -0.07 2.71 1.01 -0.93 -0.25 121.20 121.07 1x5k s ILE 55 Ca 0.13 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.17 1x5k s ILE 55 Cb 0.03 -1.19 -0.03 0.00 0.01 0.00 0.00 42.46 41.28 1x5k s ILE 55 CO -0.03 0.40 -0.05 -0.63 0.00 0.00 0.00 174.94 174.62 1x5k s ILE 56 N 0.49 3.88 -0.11 2.92 1.01 -0.48 -2.28 121.20 126.61 1x5k s ILE 56 Ca -0.13 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.11 1x5k s ILE 56 Cb -0.15 -2.60 0.02 0.00 0.01 0.00 0.00 42.46 39.73 1x5k s ILE 56 CO 0.04 0.60 -0.13 -0.31 0.00 0.00 0.00 174.94 175.14 1x5k s TYR 57 N -0.84 1.87 0.03 3.97 1.51 -0.25 -0.63 117.35 123.01 1x5k s TYR 57 Ca 0.13 -0.92 0.00 0.00 -1.01 0.00 0.00 57.07 55.27 1x5k s TYR 57 Cb -0.11 -1.39 -0.02 0.00 -0.11 0.00 0.00 41.96 40.33 1x5k s TYR 57 CO 0.02 -0.51 -0.04 1.52 -1.11 0.00 0.00 175.55 175.43 1x5k s TYR 58 N 1.22 0.36 -0.02 2.71 -0.85 -1.24 -0.44 117.35 119.09 1x5k s TYR 58 Ca -0.02 -0.54 -0.30 0.00 -0.52 0.00 0.00 57.07 55.69 1x5k s TYR 58 Cb -0.14 -0.24 0.11 0.00 0.38 0.00 0.00 41.96 42.06 1x5k s TYR 58 CO -0.05 -0.17 1.06 0.45 -1.52 0.00 0.00 175.55 175.32 1x5k s SER 59 N -1.53 -0.21 -0.30 -0.18 0.15 -1.23 -2.65 113.70 107.75 1x5k s SER 59 Ca -0.14 -0.11 -0.03 0.00 0.70 0.00 0.00 55.95 56.37 1x5k s SER 59 Cb -0.09 0.30 0.05 0.00 -1.71 0.00 0.00 66.02 64.57 1x5k s SER 59 CO -0.01 -0.52 2.60 0.35 1.20 0.00 0.00 173.24 176.86 1x5k n THR 60 N -0.30 2.98 -3.60 6.45 -2.24 -1.26 -3.78 114.28 112.53 1x5k n THR 60 Ca -0.06 -2.10 -0.00 0.00 -2.27 0.00 0.00 64.05 59.62 1x5k n THR 60 Cb 0.61 -1.57 -0.06 0.00 -2.10 0.00 0.00 70.33 67.21 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 0.70 -0.36 -0.03 3.42 1.01 -1.26 -5.05 116.67 115.10 1x5k s ASP 61 Ca 0.46 0.57 -0.03 0.00 0.71 0.00 0.00 52.55 54.25 1x5k s ASP 61 Cb 0.30 1.20 -0.27 0.00 1.01 0.00 0.00 42.92 45.15 1x5k s ASP 61 CO -0.10 -0.09 0.73 1.62 0.21 0.00 0.00 175.17 177.54 1x5k h VAL 62 N 5.06 1.00 -0.41 -1.27 3.04 -1.95 -3.32 116.25 118.40 1x5k h VAL 62 Ca -0.25 -2.66 -0.14 0.00 -1.01 0.00 0.00 66.70 62.63 1x5k h VAL 62 Cb 1.17 2.68 -0.08 0.00 -2.01 0.00 0.00 31.29 33.05 1x5k h VAL 62 CO 0.19 0.80 0.18 0.59 -1.01 0.00 0.00 177.57 178.32 1x5k n ASN 63 N -3.44 3.42 -4.75 3.17 3.02 -1.26 -4.89 115.26 110.53 1x5k n ASN 63 Ca -0.20 -2.66 -0.37 0.00 -0.03 0.00 0.00 54.58 51.31 1x5k n ASN 63 Cb 1.05 -0.64 -0.07 0.00 -0.61 0.00 0.00 39.78 39.52 1x5k n ASN 63 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x5k s ALA 64 N -1.80 3.60 0.11 5.41 0.00 -1.25 -5.02 121.76 122.81 1x5k s ALA 64 Ca 0.29 -0.36 -0.35 0.00 0.00 0.00 0.00 51.96 51.53 1x5k s ALA 64 Cb 0.23 -2.43 -0.17 0.00 0.00 0.00 0.00 23.12 20.76 1x5k s ALA 64 CO 0.07 0.17 1.25 0.39 0.00 0.00 0.00 175.76 177.64 1x5k n GLU 65 N 3.20 1.07 -0.19 0.00 4.71 -1.26 -4.74 120.64 123.42 1x5k n GLU 65 Ca -0.12 0.38 0.29 0.00 -0.01 0.00 0.00 57.16 57.71 1x5k n GLU 65 Cb 0.52 -1.96 0.57 0.00 -1.01 0.00 0.00 31.44 29.56 1x5k n GLU 65 CO 0.00 0.00 0.00 0.97 0.09 0.00 0.00 177.13 178.19 1x5k h ILE 66 N 3.05 0.11 -0.55 -3.67 6.09 -1.95 0.89 117.51 121.48 1x5k h ILE 66 Ca -0.46 0.00 -0.07 0.00 -1.37 0.00 0.00 64.86 62.96 1x5k h ILE 66 Cb 1.35 0.19 -0.02 0.00 0.47 0.00 0.00 36.82 38.80 1x5k h ILE 66 CO 0.74 0.00 0.06 1.12 -3.07 0.00 0.00 178.15 177.00 1x5k h HIS 67 N 0.00 1.01 -0.08 2.19 2.07 -2.01 -2.71 115.15 115.61 1x5k h HIS 67 Ca 0.46 -0.15 -0.05 0.00 -2.85 0.00 0.00 60.37 57.78 1x5k h HIS 67 Cb 2.51 -0.27 -0.01 0.00 2.57 0.00 0.00 27.41 32.21 1x5k h HIS 67 CO 0.00 0.90 -0.21 -0.44 -3.07 0.00 0.00 177.93 175.11 1x5k h ASP 68 N 0.82 0.12 -3.98 3.10 3.32 0.51 -3.44 116.42 116.88 1x5k h ASP 68 Ca 0.16 -0.03 -0.54 0.00 0.02 0.00 0.00 57.03 56.65 1x5k h ASP 68 Cb 0.46 -0.03 0.10 0.00 0.22 0.00 0.00 39.33 40.08 1x5k h ASP 68 CO 0.02 0.33 0.66 0.26 -1.72 0.00 0.00 179.24 178.79 1x5k s TRP 69 N -4.57 2.60 0.53 4.55 0.52 -1.03 -4.99 118.94 116.56 1x5k s TRP 69 Ca -0.04 1.33 -0.18 0.00 0.02 0.00 0.00 56.10 57.23 1x5k s TRP 69 Cb 0.15 -3.80 -0.07 0.00 -1.15 0.00 0.00 33.47 28.60 1x5k s TRP 69 CO 0.72 -2.57 1.03 0.54 0.02 0.00 0.00 176.95 176.69 1x5k s VAL 70 N -1.24 4.03 -0.37 4.03 0.11 -1.09 -4.92 120.40 120.96 1x5k s VAL 70 Ca 0.60 1.07 -0.07 0.00 -2.93 0.00 0.00 61.98 60.65 1x5k s VAL 70 Cb -0.41 -3.50 0.06 0.00 -1.53 0.00 0.00 36.38 31.00 1x5k s VAL 70 CO 0.52 -0.47 0.16 -0.63 -3.33 0.00 0.00 175.10 171.36 1x5k s ILE 71 N -2.35 3.83 -0.77 7.04 1.01 -1.26 -3.70 121.20 125.00 1x5k s ILE 71 Ca 0.63 -1.35 -0.06 0.00 0.00 0.00 0.00 60.65 59.87 1x5k s ILE 71 Cb -0.14 -3.29 0.20 0.00 0.01 0.00 0.00 42.46 39.24 1x5k s ILE 71 CO 0.29 -0.35 0.64 -1.61 0.00 0.00 0.00 174.94 173.91 1x5k s GLU 72 N 1.37 3.08 0.33 2.79 0.41 0.20 -4.97 118.70 121.91 1x5k s GLU 72 Ca 0.01 -2.74 -0.28 0.00 -0.41 0.00 0.00 54.97 51.55 1x5k s GLU 72 Cb -0.21 -4.00 -0.10 0.00 -1.78 0.00 0.00 34.13 28.04 1x5k s GLU 72 CO 0.01 -1.23 1.22 -1.25 -0.49 0.00 0.00 175.26 173.53 1x5k s PRO 73 N -0.39 4.40 -0.26 0.39 0.04 -1.26 -1.39 135.00 136.53 1x5k s PRO 73 Ca 0.20 2.03 -0.08 0.00 0.04 0.00 0.00 61.00 63.19 1x5k s PRO 73 Cb -0.14 -3.05 -0.03 0.00 0.04 0.00 0.00 34.50 31.32 1x5k s PRO 73 CO -0.07 -0.08 0.09 0.08 0.04 0.00 0.00 177.00 177.06 1x5k s VAL 74 N -1.19 4.40 0.87 -0.36 1.01 0.65 -4.95 120.40 120.83 1x5k s VAL 74 Ca 0.49 -0.19 -0.12 0.00 0.00 0.00 0.00 61.98 62.16 1x5k s VAL 74 Cb -0.36 -3.08 0.11 0.00 0.00 0.00 0.00 36.38 33.05 1x5k s VAL 74 CO 0.47 0.30 1.14 0.68 0.00 0.00 0.00 175.10 177.69 1x5k s VAL 75 N 1.62 2.12 0.02 2.92 -7.23 -1.26 -3.69 120.40 114.91 1x5k s VAL 75 Ca 0.06 0.04 0.00 0.00 -1.81 0.00 0.00 61.98 60.27 1x5k s VAL 75 Cb -0.15 -2.86 0.00 0.00 0.56 0.00 0.00 36.38 33.92 1x5k s VAL 75 CO 0.04 -0.05 0.00 0.61 -0.31 0.00 0.00 175.10 175.39 1x5k n GLY 76 N -2.52 -0.52 2.19 2.32 0.00 -1.26 -3.46 105.19 101.94 1x5k n GLY 76 Ca 0.07 -0.50 -0.23 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.63 6.66 -4.80 1.61 6.94 -1.26 -4.34 115.26 116.44 1x5k n ASN 77 Ca 0.00 -3.23 -0.38 0.00 -0.02 0.00 0.00 54.58 50.95 1x5k n ASN 77 Cb 0.05 -1.11 -0.06 0.00 -2.36 0.00 0.00 39.78 36.30 1x5k n ASN 77 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 1x5k s ARG 78 N -2.10 4.38 0.00 -3.83 3.52 -1.22 -4.97 118.95 114.73 1x5k s ARG 78 Ca 0.45 0.97 0.09 0.00 -0.13 0.00 0.00 55.73 57.11 1x5k s ARG 78 Cb 0.33 -3.13 0.22 0.00 -1.56 0.00 0.00 34.95 30.81 1x5k s ARG 78 CO -0.10 0.53 1.14 1.28 -0.81 0.00 0.00 175.30 177.34 1x5k n LEU 79 N 1.33 2.60 -4.01 -0.88 4.77 -1.26 -4.72 117.00 114.82 1x5k n LEU 79 Ca -0.06 -1.85 -0.20 0.00 -0.03 0.00 0.00 56.01 53.88 1x5k n LEU 79 Cb 0.50 -0.16 -0.15 0.00 -2.33 0.00 0.00 43.42 41.28 1x5k n LEU 79 CO 0.44 0.64 -0.44 0.28 -1.33 0.00 0.00 177.39 176.98 1x5k s THR 80 N -0.96 0.78 0.07 -5.08 -1.32 -1.26 -2.64 115.64 105.23 1x5k s THR 80 Ca 0.17 -0.38 0.07 0.00 -1.21 0.00 0.00 61.69 60.35 1x5k s THR 80 Cb 0.09 -0.69 -0.03 0.00 -1.51 0.00 0.00 72.50 70.37 1x5k s THR 80 CO 0.13 0.24 -0.20 -2.28 -2.21 0.00 0.00 174.62 170.30 1x5k s HIS 81 N 0.07 1.72 -0.32 9.09 2.46 -1.07 -4.98 115.29 122.26 1x5k s HIS 81 Ca -0.01 -0.39 0.01 0.00 0.47 0.00 0.00 55.06 55.14 1x5k s HIS 81 Cb -0.07 -0.99 0.08 0.00 -0.13 0.00 0.00 32.58 31.47 1x5k s HIS 81 CO 0.00 0.13 0.02 -0.65 -2.47 0.00 0.00 174.74 171.78 1x5k s GLN 82 N -1.48 2.01 -0.23 2.88 -0.21 -1.26 -2.10 119.66 119.27 1x5k s GLN 82 Ca 0.06 -1.58 -0.10 0.00 0.02 0.00 0.00 55.36 53.77 1x5k s GLN 82 Cb -0.09 -3.19 -0.05 0.00 1.00 0.00 0.00 33.01 30.68 1x5k s GLN 82 CO 0.03 -0.79 0.14 0.42 -2.12 0.00 0.00 175.29 172.97 1x5k s ILE 83 N 1.09 5.21 0.28 1.08 1.01 -0.94 -4.95 121.20 123.97 1x5k s ILE 83 Ca 0.01 0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.81 1x5k s ILE 83 Cb -0.20 -3.42 0.02 0.00 0.01 0.00 0.00 42.46 38.86 1x5k s ILE 83 CO -0.05 0.36 0.13 0.00 0.00 0.00 0.00 174.94 175.38 1x5k n GLN 84 N 4.24 1.18 -3.49 2.79 6.02 -1.26 -1.12 117.38 125.75 1x5k n GLN 84 Ca -0.15 -1.86 -0.20 0.00 -0.01 0.00 0.00 57.00 54.77 1x5k n GLN 84 Cb 0.52 0.33 0.08 0.00 1.02 0.00 0.00 30.24 32.19 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 -0.97 -7.18 -4.68 -1.09 4.71 -0.89 -4.89 120.64 105.65 1x5k n GLU 85 Ca -0.05 0.82 -0.33 0.00 -0.01 0.00 0.00 57.16 57.58 1x5k n GLU 85 Cb 0.33 -5.80 -0.12 0.00 -1.01 0.00 0.00 31.44 24.85 1x5k n GLU 85 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1x5k s LEU 86 N -6.73 3.05 1.32 -4.62 1.43 0.11 -5.05 118.68 108.20 1x5k s LEU 86 Ca 0.31 -0.08 -0.19 0.00 -1.03 0.00 0.00 54.13 53.14 1x5k s LEU 86 Cb -0.13 -1.66 0.34 0.00 0.03 0.00 0.00 46.19 44.76 1x5k s LEU 86 CO 0.71 0.35 0.97 0.28 0.23 0.00 0.00 176.35 178.89 1x5k s THR 87 N -0.81 1.52 0.35 5.49 -1.32 -1.26 -4.29 115.64 115.31 1x5k s THR 87 Ca 0.13 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.69 1x5k s THR 87 Cb -0.11 -2.09 -0.04 0.00 -1.51 0.00 0.00 72.50 68.75 1x5k s THR 87 CO 0.02 0.00 0.17 -0.76 -2.21 0.00 0.00 174.62 171.83 1x5k s LEU 88 N -7.59 3.29 -1.10 9.08 1.43 -1.26 -4.70 118.68 117.83 1x5k s LEU 88 Ca 0.69 -0.77 -0.14 0.00 -1.03 0.00 0.00 54.13 52.88 1x5k s LEU 88 Cb -0.18 -1.78 0.02 0.00 0.03 0.00 0.00 46.19 44.29 1x5k s LEU 88 CO 0.60 -0.33 0.27 -0.67 0.23 0.00 0.00 176.35 176.45 1x5k n ASP 89 N -1.19 -1.22 -3.76 2.29 -0.08 -1.14 -4.92 116.55 106.53 1x5k n ASP 89 Ca -0.03 -1.03 -0.15 0.00 -1.51 0.00 0.00 54.79 52.08 1x5k n ASP 89 Cb 0.61 -1.25 -0.16 0.00 2.34 0.00 0.00 41.12 42.66 1x5k n ASP 89 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1x5k s THR 90 N -3.97 -0.06 -0.36 5.18 2.01 -1.26 -4.93 115.64 112.24 1x5k s THR 90 Ca 0.20 0.22 -0.28 0.00 0.31 0.00 0.00 61.69 62.13 1x5k s THR 90 Cb -0.11 -0.14 -0.01 0.00 0.01 0.00 0.00 72.50 72.24 1x5k s THR 90 CO 0.78 0.09 1.71 -2.16 -0.69 0.00 0.00 174.62 174.35 1x5k s PRO 91 N 1.18 3.35 -0.01 4.92 0.04 -1.26 -2.80 135.00 140.42 1x5k s PRO 91 Ca -0.08 1.27 0.01 0.00 0.04 0.00 0.00 61.00 62.24 1x5k s PRO 91 Cb -0.12 -4.17 -0.04 0.00 0.04 0.00 0.00 34.50 30.21 1x5k s PRO 91 CO -0.04 -1.84 -0.01 0.71 0.04 0.00 0.00 177.00 175.87 1x5k s TYR 92 N 6.66 3.06 -0.21 0.56 1.51 -1.00 -4.79 117.35 123.13 1x5k s TYR 92 Ca 0.75 0.08 0.02 0.00 -1.01 0.00 0.00 57.07 56.90 1x5k s TYR 92 Cb -0.20 -1.67 0.03 0.00 -0.11 0.00 0.00 41.96 40.01 1x5k s TYR 92 CO 0.33 0.45 -0.17 0.71 -1.11 0.00 0.00 175.55 175.76 1x5k s TYR 93 N -1.05 2.96 0.20 2.71 1.51 -1.25 -1.36 117.35 121.08 1x5k s TYR 93 Ca 0.18 -1.90 0.07 0.00 -1.01 0.00 0.00 57.07 54.41 1x5k s TYR 93 Cb -0.11 -1.92 -0.04 0.00 -0.11 0.00 0.00 41.96 39.77 1x5k s TYR 93 CO 0.09 -0.84 0.11 -0.06 -1.11 0.00 0.00 175.55 173.74 1x5k s PHE 94 N 1.22 3.02 -0.04 2.71 0.40 -0.69 -3.51 117.98 121.08 1x5k s PHE 94 Ca -0.00 -0.09 -0.01 0.00 -0.60 0.00 0.00 56.93 56.22 1x5k s PHE 94 Cb -0.16 -1.42 0.03 0.00 0.51 0.00 0.00 43.02 41.99 1x5k s PHE 94 CO -0.10 0.53 0.08 0.15 0.70 0.00 0.00 175.22 176.58 1x5k s LYS 95 N -3.35 0.01 0.01 0.44 1.02 0.42 -1.07 119.74 117.21 1x5k s LYS 95 Ca 0.31 0.30 0.01 0.00 0.02 0.00 0.00 55.97 56.61 1x5k s LYS 95 Cb -0.09 -0.26 -0.04 0.00 -0.52 0.00 0.00 37.83 36.93 1x5k s LYS 95 CO 0.22 -0.20 0.06 0.42 -0.92 0.00 0.00 175.35 174.94 1x5k s ILE 96 N 1.33 4.57 -0.07 2.17 1.01 -1.26 -1.09 121.20 127.85 1x5k s ILE 96 Ca -0.07 -0.51 -0.08 0.00 0.00 0.00 0.00 60.65 59.99 1x5k s ILE 96 Cb -0.12 -3.10 0.02 0.00 0.01 0.00 0.00 42.46 39.27 1x5k s ILE 96 CO -0.04 0.32 0.22 -1.58 0.00 0.00 0.00 174.94 173.86 1x5k s GLN 97 N -1.81 0.31 -0.17 2.79 0.74 -0.97 -2.61 119.66 117.94 1x5k s GLN 97 Ca 0.23 0.22 -0.07 0.00 0.05 0.00 0.00 55.36 55.79 1x5k s GLN 97 Cb -0.12 0.14 -0.04 0.00 1.10 0.00 0.00 33.01 34.10 1x5k s GLN 97 CO 0.14 -0.05 0.07 0.00 -0.55 0.00 0.00 175.29 174.91 1x5k s ALA 98 N -0.11 3.47 0.02 1.58 0.00 -1.26 -2.20 121.76 123.26 1x5k s ALA 98 Ca -0.02 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.21 1x5k s ALA 98 Cb -0.02 -1.90 -0.02 0.00 0.00 0.00 0.00 23.12 21.18 1x5k s ALA 98 CO 0.01 0.27 -0.03 -0.98 0.00 0.00 0.00 175.76 175.03 1x5k s ARG 99 N 0.09 0.30 0.41 0.00 1.70 -1.22 -1.37 118.95 118.85 1x5k s ARG 99 Ca 0.06 -0.58 0.00 0.00 -0.47 0.00 0.00 55.73 54.74 1x5k s ARG 99 Cb -0.12 0.10 0.00 0.00 -0.57 0.00 0.00 34.95 34.36 1x5k s ARG 99 CO 0.01 -0.05 0.03 0.27 -1.08 0.00 0.00 175.30 174.48 1x5k n ASN 100 N 1.67 3.05 0.30 -2.89 0.23 -0.06 -3.47 115.26 114.10 1x5k n ASN 100 Ca -0.23 -2.74 0.17 0.00 -0.53 0.00 0.00 54.58 51.25 1x5k n ASN 100 Cb 0.55 0.25 0.89 0.00 -2.08 0.00 0.00 39.78 39.39 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 0.92 0.00 0.00 0.53 0.02 -1.94 -3.01 113.55 110.08 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 1.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.55 1x5k h SER 101 CO 0.54 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 176.52 1x5k n LYS 102 N -3.07 0.00 -0.56 3.45 4.76 -1.26 -5.08 118.16 116.40 1x5k n LYS 102 Ca -0.01 0.37 0.00 0.00 -2.87 0.00 0.00 58.31 55.80 1x5k n LYS 102 Cb 0.34 -0.89 0.00 0.00 -1.84 0.00 0.00 35.03 32.64 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 2.01 3.48 3.55 0.72 0.00 -1.14 -5.10 105.19 108.71 1x5k n GLY 103 Ca 0.00 -1.13 -0.31 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.20 2.35 0.06 1.61 -1.94 -1.26 -0.88 119.30 119.04 1x5k s MET 104 Ca 0.00 -0.84 -0.00 0.00 -1.71 0.00 0.00 55.69 53.14 1x5k s MET 104 Cb 0.00 -2.38 0.01 0.00 2.01 0.00 0.00 34.83 34.47 1x5k s MET 104 CO 0.00 0.57 0.08 0.41 -0.01 0.00 0.00 175.02 176.07 1x5k n GLY 105 N 1.46 0.48 3.72 -0.03 0.00 -0.47 -4.87 105.19 105.47 1x5k n GLY 105 Ca -0.15 -1.92 -0.30 0.00 0.00 0.00 0.00 46.02 43.65 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 -2.67 1.21 -0.06 1.61 0.04 -1.26 -4.80 135.00 129.07 1x5k s PRO 106 Ca 0.05 0.81 -0.08 0.00 0.04 0.00 0.00 61.00 61.82 1x5k s PRO 106 Cb -0.00 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.69 1x5k s PRO 106 CO 0.03 -2.27 0.21 -1.64 0.04 0.00 0.00 177.00 173.38 1x5k s MET 107 N -4.93 3.54 0.85 4.56 -1.94 -1.26 -4.49 119.30 115.62 1x5k s MET 107 Ca 0.64 -0.06 -0.12 0.00 -1.71 0.00 0.00 55.69 54.44 1x5k s MET 107 Cb -0.18 -3.16 0.10 0.00 2.01 0.00 0.00 34.83 33.60 1x5k s MET 107 CO 0.57 0.73 1.14 -1.54 -0.01 0.00 0.00 175.02 175.90 1x5k s SER 108 N -1.28 4.08 0.60 3.03 1.04 -1.07 -4.98 113.70 115.13 1x5k s SER 108 Ca 0.20 0.99 -0.19 0.00 0.48 0.00 0.00 55.95 57.43 1x5k s SER 108 Cb -0.13 -1.59 -0.04 0.00 0.10 0.00 0.00 66.02 64.36 1x5k s SER 108 CO 0.10 -2.19 1.15 -0.62 0.98 0.00 0.00 173.24 172.65 1x5k n GLU 109 N -3.54 1.12 -1.79 4.02 1.02 -1.26 -4.74 120.64 115.47 1x5k n GLU 109 Ca 0.07 0.43 -0.43 0.00 -0.02 0.00 0.00 57.16 57.21 1x5k n GLU 109 Cb 0.59 -2.36 -0.03 0.00 -0.02 0.00 0.00 31.44 29.62 1x5k n GLU 109 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1x5k s ALA 110 N -1.42 3.13 -0.49 0.62 0.00 -1.26 -4.80 121.76 117.53 1x5k s ALA 110 Ca 0.77 0.81 -0.27 0.00 0.00 0.00 0.00 51.96 53.28 1x5k s ALA 110 Cb -0.41 -3.94 0.03 0.00 0.00 0.00 0.00 23.12 18.80 1x5k s ALA 110 CO 0.45 -2.21 1.02 0.08 0.00 0.00 0.00 175.76 175.10 1x5k s VAL 111 N 6.27 4.34 -0.31 0.00 1.01 -0.24 -4.90 120.40 126.58 1x5k s VAL 111 Ca 0.88 0.86 -0.22 0.00 0.00 0.00 0.00 61.98 63.50 1x5k s VAL 111 Cb -0.33 -4.53 -0.00 0.00 0.00 0.00 0.00 36.38 31.52 1x5k s VAL 111 CO 0.35 -0.97 0.71 -1.58 0.00 0.00 0.00 175.10 173.61 1x5k s GLN 112 N 4.10 3.92 -0.04 2.72 0.74 -1.26 -1.71 119.66 128.13 1x5k s GLN 112 Ca 0.40 0.42 -0.02 0.00 0.05 0.00 0.00 55.36 56.22 1x5k s GLN 112 Cb -0.09 -3.73 0.03 0.00 1.10 0.00 0.00 33.01 30.32 1x5k s GLN 112 CO 0.27 -0.63 0.06 0.12 -0.55 0.00 0.00 175.29 174.56 1x5k s PHE 113 N 2.78 0.04 0.34 1.67 2.19 -0.46 -5.00 117.98 119.54 1x5k s PHE 113 Ca 0.29 0.25 -0.26 0.00 0.33 0.00 0.00 56.93 57.54 1x5k s PHE 113 Cb -0.14 -0.41 -0.10 0.00 -1.31 0.00 0.00 43.02 41.06 1x5k s PHE 113 CO 0.12 -0.17 0.97 0.50 1.83 0.00 0.00 175.22 178.48 1x5k s ARG 114 N 1.90 4.49 0.48 10.12 3.52 -1.26 -2.38 118.95 135.81 1x5k s ARG 114 Ca 0.01 1.37 -0.19 0.00 -0.13 0.00 0.00 55.73 56.80 1x5k s ARG 114 Cb -0.12 -2.73 -0.09 0.00 -1.56 0.00 0.00 34.95 30.44 1x5k s ARG 114 CO -0.03 0.18 0.98 0.95 -0.81 0.00 0.00 175.30 176.57 1x5k s THR 115 N -1.63 4.35 0.00 4.11 -4.23 -1.12 -4.95 115.64 112.16 1x5k s THR 115 Ca 0.52 1.30 0.00 0.00 -1.18 0.00 0.00 61.69 62.33 1x5k s THR 115 Cb -0.19 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 70.03 1x5k s THR 115 CO 0.25 -0.48 0.00 -0.81 -0.54 0.00 0.00 174.62 173.04 1x5k n PRO 116 N -1.16 0.20 -4.17 3.99 -0.04 -1.26 -3.56 135.00 129.01 1x5k n PRO 116 Ca 0.07 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.43 1x5k n PRO 116 Cb 0.54 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.90 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 -1.18 0.85 -0.02 0.54 -0.14 -1.26 -2.86 119.74 115.66 1x5k s LYS 117 Ca 0.00 -1.36 -0.19 0.00 -1.36 0.00 0.00 55.97 53.07 1x5k s LYS 117 Cb 0.00 -0.12 -0.11 0.00 -1.68 0.00 0.00 37.83 35.92 1x5k s LYS 117 CO 0.00 -0.07 0.77 0.00 -0.76 0.00 0.00 175.35 175.30 1x5k h ALA 118 N 2.94 -0.63 -1.58 5.17 0.00 -1.99 -3.45 119.26 119.72 1x5k h ALA 118 Ca -0.35 -0.15 -0.66 0.00 0.00 0.00 0.00 54.91 53.75 1x5k h ALA 118 Cb 1.17 0.24 0.09 0.00 0.00 0.00 0.00 17.79 19.29 1x5k h ALA 118 CO 0.64 -0.59 0.06 0.43 0.00 0.00 0.00 179.25 179.78 1x5k n SER 119 N -5.20 0.68 -3.83 0.00 7.64 -1.26 -4.98 113.62 106.68 1x5k n SER 119 Ca -0.08 1.15 -0.13 0.00 1.01 0.00 0.00 58.87 60.82 1x5k n SER 119 Cb 0.26 -1.15 -0.14 0.00 -1.01 0.00 0.00 64.21 62.17 1x5k n SER 119 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x5k s GLY 120 N -0.33 -0.02 0.20 0.23 0.00 -1.26 -5.02 107.32 101.12 1x5k s GLY 120 Ca 0.70 0.24 0.21 0.00 0.00 0.00 0.00 44.72 45.87 1x5k s GLY 120 CO 0.55 0.31 1.65 -1.55 0.00 0.00 0.00 173.10 174.06 1x5k n PRO 121 N 3.33 0.15 -4.29 2.90 -0.04 -1.26 -4.81 135.00 130.98 1x5k n PRO 121 Ca -0.16 0.39 -0.19 0.00 -0.04 0.00 0.00 63.50 63.50 1x5k n PRO 121 Cb 0.57 -1.79 -0.08 0.00 -0.04 0.00 0.00 33.50 32.16 1x5k n PRO 121 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x5k s SER 122 N -3.97 1.56 0.00 3.54 1.04 -1.26 -5.09 113.70 109.51 1x5k s SER 122 Ca 0.05 -1.71 0.00 0.00 0.48 0.00 0.00 55.95 54.76 1x5k s SER 122 Cb 0.09 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.74 1x5k s SER 122 CO 0.36 -1.03 0.00 -1.20 0.98 0.00 0.00 173.24 172.35 1x5k n SER 123 N -1.39 0.03 0.00 7.02 7.64 -1.26 -5.16 113.62 120.51 1x5k n SER 123 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1x5k n SER 123 Cb 0.63 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.83 1x5k n SER 123 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64