#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4k n SER 2 N 0.00 -0.92 -4.94 1.61 7.64 -1.26 -4.95 113.62 110.81 1x4k n SER 2 Ca 0.00 1.03 -0.24 0.00 1.01 0.00 0.00 58.87 60.66 1x4k n SER 2 Cb 0.00 -1.05 -0.00 0.00 -1.01 0.00 0.00 64.21 62.15 1x4k n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x4k s SER 3 N -0.90 6.16 0.50 6.43 0.15 -1.26 -5.04 113.70 119.74 1x4k s SER 3 Ca 0.62 0.52 -0.22 0.00 0.70 0.00 0.00 55.95 57.57 1x4k s SER 3 Cb -0.75 -1.95 -0.08 0.00 -1.71 0.00 0.00 66.02 61.53 1x4k s SER 3 CO 0.58 -0.47 0.97 0.61 1.20 0.00 0.00 173.24 176.13 1x4k n GLY 4 N -1.98 -0.31 3.19 9.45 0.00 -1.26 -5.02 105.19 109.26 1x4k n GLY 4 Ca -0.02 0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1x4k n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4k s SER 5 N -0.94 0.04 0.17 1.61 0.01 -1.26 -5.18 113.70 108.15 1x4k s SER 5 Ca 0.68 -0.39 0.01 0.00 1.31 0.00 0.00 55.95 57.55 1x4k s SER 5 Cb -0.49 0.30 -0.04 0.00 0.21 0.00 0.00 66.02 65.99 1x4k s SER 5 CO 0.53 -0.58 0.04 -0.44 0.41 0.00 0.00 173.24 173.20 1x4k s SER 6 N -2.19 0.92 -0.27 2.44 0.01 -1.26 -5.17 113.70 108.18 1x4k s SER 6 Ca -0.04 -1.22 -0.24 0.00 1.31 0.00 0.00 55.95 55.76 1x4k s SER 6 Cb -0.00 0.18 0.07 0.00 0.21 0.00 0.00 66.02 66.48 1x4k s SER 6 CO -0.05 -0.65 0.71 -0.83 0.41 0.00 0.00 173.24 172.83 1x4k s GLY 7 N -3.16 -0.55 0.88 3.44 0.00 -1.26 -3.96 107.32 102.72 1x4k s GLY 7 Ca 0.27 2.06 -0.11 0.00 0.00 0.00 0.00 44.72 46.94 1x4k s GLY 7 CO 0.05 1.81 1.11 0.00 0.00 0.00 0.00 173.10 176.07 1x4k n GLN 9 N -4.01 1.37 0.03 0.00 1.13 -0.39 -3.64 117.38 111.87 1x4k n GLN 9 Ca 0.10 0.03 -0.01 0.00 -1.94 0.00 0.00 57.00 55.18 1x4k n GLN 9 Cb 0.53 -1.27 -0.01 0.00 0.11 0.00 0.00 30.24 29.60 1x4k n GLN 9 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 1x4k h GLU 10 N 0.00 -0.07 0.00 -1.09 4.22 -1.91 -3.31 114.58 112.41 1x4k h GLU 10 Ca -0.30 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.15 1x4k h GLU 10 Cb 1.57 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.84 1x4k h GLU 10 CO -0.01 -0.05 -0.53 0.00 -2.18 0.00 0.00 179.01 176.24 1x4k n LYS 12 N -1.76 -7.05 -5.00 0.00 4.76 -1.24 -5.01 118.16 102.86 1x4k n LYS 12 Ca 0.05 0.82 -0.32 0.00 -2.87 0.00 0.00 58.31 55.98 1x4k n LYS 12 Cb 0.38 -5.79 -0.15 0.00 -1.84 0.00 0.00 35.03 27.63 1x4k n LYS 12 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1x4k s LYS 13 N -5.76 2.84 -0.36 1.97 -0.14 -1.26 -4.84 119.74 112.19 1x4k s LYS 13 Ca 0.26 -0.77 -0.39 0.00 -1.36 0.00 0.00 55.97 53.71 1x4k s LYS 13 Cb -0.11 -2.38 -0.14 0.00 -1.68 0.00 0.00 37.83 33.51 1x4k s LYS 13 CO 0.71 0.39 2.02 2.41 -0.76 0.00 0.00 175.35 180.12 1x4k n THR 14 N 2.98 0.19 -2.61 2.17 -1.04 -1.26 -2.57 114.28 112.14 1x4k n THR 14 Ca -0.18 -0.13 -0.43 0.00 -2.04 0.00 0.00 64.05 61.27 1x4k n THR 14 Cb 0.52 -1.25 -0.02 0.00 -1.82 0.00 0.00 70.33 67.76 1x4k n THR 14 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1x4k s ILE 15 N 5.74 4.49 0.66 12.58 1.01 -1.25 -4.91 121.20 139.52 1x4k s ILE 15 Ca 1.08 1.75 -0.15 0.00 0.00 0.00 0.00 60.65 63.33 1x4k s ILE 15 Cb -1.07 -4.34 0.00 0.00 0.01 0.00 0.00 42.46 37.07 1x4k s ILE 15 CO 0.59 -0.38 1.13 -0.04 0.00 0.00 0.00 174.94 176.23 1x4k s MET 16 N 3.59 2.73 0.52 2.79 -1.94 -1.26 -4.80 119.30 120.92 1x4k s MET 16 Ca 0.47 1.46 0.33 0.00 -1.71 0.00 0.00 55.69 56.24 1x4k s MET 16 Cb -0.14 -1.93 1.36 0.00 2.01 0.00 0.00 34.83 36.12 1x4k s MET 16 CO 0.14 -1.32 1.96 -1.00 -0.01 0.00 0.00 175.02 174.79 1x4k h PRO 17 N 0.05 0.00 -0.15 2.03 0.13 -2.01 -3.15 132.00 128.90 1x4k h PRO 17 Ca -0.47 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.59 1x4k h PRO 17 Cb 1.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 1x4k h PRO 17 CO 0.53 0.00 -0.16 0.78 -0.23 0.00 0.00 178.00 178.92 1x4k h GLY 18 N 1.99 0.40 -1.79 1.56 0.00 -2.03 -3.45 103.07 99.76 1x4k h GLY 18 Ca 0.00 -0.42 -0.49 0.00 0.00 0.00 0.00 47.33 46.41 1x4k h GLY 18 CO 0.00 0.38 0.29 -1.08 0.00 0.00 0.00 176.54 176.14 1x4k s THR 19 N -4.26 4.71 0.05 4.70 -1.32 -1.19 -5.06 115.64 113.27 1x4k s THR 19 Ca -0.14 0.79 -0.16 0.00 -1.21 0.00 0.00 61.69 60.98 1x4k s THR 19 Cb 0.05 -3.80 -0.06 0.00 -1.51 0.00 0.00 72.50 67.18 1x4k s THR 19 CO 0.76 -0.86 0.48 -0.13 -2.21 0.00 0.00 174.62 172.66 1x4k s ARG 20 N -4.56 4.00 0.33 7.08 0.52 -1.26 -4.83 118.95 120.23 1x4k s ARG 20 Ca 0.54 0.51 0.06 0.00 -0.52 0.00 0.00 55.73 56.32 1x4k s ARG 20 Cb -0.10 -3.17 -0.06 0.00 0.52 0.00 0.00 34.95 32.13 1x4k s ARG 20 CO 0.42 0.64 -0.02 -1.59 0.02 0.00 0.00 175.30 174.77 1x4k s LYS 21 N -1.27 1.70 -0.40 3.54 -2.85 -1.26 -1.81 119.74 117.40 1x4k s LYS 21 Ca 0.28 -1.91 -0.05 0.00 -1.00 0.00 0.00 55.97 53.29 1x4k s LYS 21 Cb -0.17 -1.26 0.09 0.00 -2.06 0.00 0.00 37.83 34.43 1x4k s LYS 21 CO 0.16 -0.03 0.19 -1.64 0.10 0.00 0.00 175.35 174.14 1x4k s MET 22 N -3.75 2.25 -0.41 1.78 -1.94 0.12 -4.86 119.30 112.49 1x4k s MET 22 Ca 0.33 -1.63 -0.26 0.00 -1.71 0.00 0.00 55.69 52.42 1x4k s MET 22 Cb 0.06 -3.58 0.02 0.00 2.01 0.00 0.00 34.83 33.34 1x4k s MET 22 CO 0.15 -0.97 0.93 -1.21 -0.01 0.00 0.00 175.02 173.91 1x4k s GLU 23 N 1.24 3.70 -0.04 2.03 2.02 -1.26 -1.07 118.70 125.33 1x4k s GLU 23 Ca 0.04 0.39 -0.02 0.00 0.02 0.00 0.00 54.97 55.41 1x4k s GLU 23 Cb -0.22 -3.86 0.03 0.00 0.10 0.00 0.00 34.13 30.17 1x4k s GLU 23 CO -0.02 -1.09 0.06 -0.47 0.02 0.00 0.00 175.26 173.76 1x4k s TYR 24 N 3.64 0.04 -1.38 1.61 6.14 0.10 -4.85 117.35 122.65 1x4k s TYR 24 Ca 0.38 0.25 -0.10 0.00 0.64 0.00 0.00 57.07 58.24 1x4k s TYR 24 Cb -0.11 -0.40 0.02 0.00 0.42 0.00 0.00 41.96 41.89 1x4k s TYR 24 CO 0.23 -0.17 1.16 1.63 0.64 0.00 0.00 175.55 179.04 1x4k n LYS 25 N 5.00 -7.68 0.00 4.97 4.76 -1.26 -2.06 118.16 121.88 1x4k n LYS 25 Ca -0.10 0.80 0.00 0.00 -2.87 0.00 0.00 58.31 56.14 1x4k n LYS 25 Cb 0.50 -5.84 0.00 0.00 -1.84 0.00 0.00 35.03 27.85 1x4k n LYS 25 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x4k n GLY 26 N -1.98 1.51 3.83 0.72 0.00 -1.26 -4.97 105.19 103.04 1x4k n GLY 26 Ca 0.01 -0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 1x4k n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4k s SER 27 N 0.01 5.25 0.15 1.61 0.01 -0.88 -5.03 113.70 114.82 1x4k s SER 27 Ca 0.00 1.42 0.07 0.00 1.31 0.00 0.00 55.95 58.76 1x4k s SER 27 Cb 0.00 -2.27 -0.04 0.00 0.21 0.00 0.00 66.02 63.92 1x4k s SER 27 CO 0.00 -1.50 -0.17 -0.44 0.41 0.00 0.00 173.24 171.54 1x4k s SER 28 N -3.97 2.41 -0.04 2.44 0.01 -1.25 0.03 113.70 113.33 1x4k s SER 28 Ca 0.58 -0.84 -0.02 0.00 1.31 0.00 0.00 55.95 56.99 1x4k s SER 28 Cb -0.13 -0.12 0.03 0.00 0.21 0.00 0.00 66.02 66.01 1x4k s SER 28 CO 0.54 -0.08 0.08 0.26 0.41 0.00 0.00 173.24 174.45 1x4k s TRP 29 N -2.08 -0.02 0.43 2.43 0.51 -0.23 -1.26 118.94 118.71 1x4k s TRP 29 Ca 0.13 0.30 -0.22 0.00 -2.12 0.00 0.00 56.10 54.19 1x4k s TRP 29 Cb -0.05 -0.31 -0.13 0.00 -0.81 0.00 0.00 33.47 32.17 1x4k s TRP 29 CO 0.05 -0.17 0.50 0.72 -0.51 0.00 0.00 176.95 177.55 1x4k n HIS 30 N 4.78 -0.66 0.11 -1.98 8.25 -1.26 0.16 115.22 124.63 1x4k n HIS 30 Ca -0.15 0.60 0.15 0.00 -0.26 0.00 0.00 57.72 58.06 1x4k n HIS 30 Cb 0.50 -1.97 0.39 0.00 1.12 0.00 0.00 29.99 30.03 1x4k n HIS 30 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 1x4k h GLU 31 N 0.73 0.00 0.00 -0.41 4.11 -1.69 -1.55 114.58 115.77 1x4k h GLU 31 Ca -0.40 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 58.87 1x4k h GLU 31 Cb 1.40 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.63 1x4k h GLU 31 CO 0.51 0.00 -1.40 0.25 0.07 0.00 0.00 179.01 178.44 1x4k n THR 32 N -2.98 1.37 -0.04 -1.06 -2.24 -1.26 -4.38 114.28 103.69 1x4k n THR 32 Ca 0.09 -0.01 0.19 0.00 -2.27 0.00 0.00 64.05 62.05 1x4k n THR 32 Cb 1.02 -2.05 0.32 0.00 -2.10 0.00 0.00 70.33 67.53 1x4k n THR 32 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x4k n PHE 34 N -3.03 0.17 -0.39 0.00 7.35 -0.67 -4.87 117.46 116.02 1x4k n PHE 34 Ca 0.16 -0.27 -0.24 0.00 -0.76 0.00 0.00 57.45 56.33 1x4k n PHE 34 Cb 1.33 -0.20 0.22 0.00 0.35 0.00 0.00 39.48 41.18 1x4k n PHE 34 CO 0.00 0.00 0.00 0.44 -0.76 0.00 0.00 176.76 176.44 1x4k n ILE 35 N 0.19 0.00 -2.14 -2.13 -6.64 0.40 -4.07 119.36 104.96 1x4k n ILE 35 Ca 0.03 -0.05 -0.27 0.00 -1.77 0.00 0.00 62.75 60.69 1x4k n ILE 35 Cb 0.42 -0.74 0.07 0.00 -1.44 0.00 0.00 39.64 37.95 1x4k n ILE 35 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1x4k n HIS 37 N -2.97 0.00 -0.09 0.00 8.25 -0.55 -3.25 115.22 116.62 1x4k n HIS 37 Ca 0.08 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.36 1x4k n HIS 37 Cb 0.60 -0.18 -0.06 0.00 1.12 0.00 0.00 29.99 31.47 1x4k n HIS 37 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1x4k n ARG 38 N -1.74 0.41 0.01 -0.41 0.63 -1.26 -4.66 116.66 109.65 1x4k n ARG 38 Ca 0.01 0.18 0.11 0.00 -0.92 0.00 0.00 57.85 57.23 1x4k n ARG 38 Cb 0.37 -1.20 0.07 0.00 0.45 0.00 0.00 32.46 32.14 1x4k n ARG 38 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1x4k n GLN 40 N -1.73 -6.44 -4.40 0.00 3.00 -1.20 -4.91 117.38 101.70 1x4k n GLN 40 Ca 0.03 0.72 -0.30 0.00 -0.01 0.00 0.00 57.00 57.44 1x4k n GLN 40 Cb 0.38 -5.63 -0.11 0.00 0.00 0.00 0.00 30.24 24.88 1x4k n GLN 40 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 1x4k s GLN 41 N -6.20 2.07 -1.05 -1.09 -0.21 -1.26 -4.56 119.66 107.37 1x4k s GLN 41 Ca 0.41 -1.02 -0.24 0.00 0.02 0.00 0.00 55.36 54.53 1x4k s GLN 41 Cb -0.19 -2.24 -0.07 0.00 1.00 0.00 0.00 33.01 31.51 1x4k s GLN 41 CO 0.78 0.52 1.94 -1.25 -2.12 0.00 0.00 175.29 175.16 1x4k s PRO 42 N -1.88 2.53 0.11 2.91 0.04 -1.26 0.78 135.00 138.23 1x4k s PRO 42 Ca 0.18 -0.74 -0.32 0.00 0.04 0.00 0.00 61.00 60.16 1x4k s PRO 42 Cb -0.11 -5.16 -0.12 0.00 0.04 0.00 0.00 34.50 29.16 1x4k s PRO 42 CO 0.10 -3.69 1.52 0.82 0.04 0.00 0.00 177.00 175.79 1x4k h ILE 43 N 6.70 0.00 0.00 0.56 2.04 -1.85 -3.47 117.51 121.50 1x4k h ILE 43 Ca 0.16 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.02 1x4k h ILE 43 Cb 0.97 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1x4k h ILE 43 CO 1.22 0.00 0.00 0.61 0.00 0.00 0.00 178.15 179.98 1x4k n GLY 44 N -1.39 1.43 2.53 5.37 0.00 -1.26 -3.89 105.19 107.97 1x4k n GLY 44 Ca -0.05 -0.51 -0.10 0.00 0.00 0.00 0.00 46.02 45.36 1x4k n GLY 44 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1x4k n THR 45 N 0.00 1.73 -4.23 2.61 -2.24 -1.26 -5.04 114.28 105.85 1x4k n THR 45 Ca 0.00 -3.48 -0.27 0.00 -2.27 0.00 0.00 64.05 58.02 1x4k n THR 45 Cb 0.00 0.28 -0.08 0.00 -2.10 0.00 0.00 70.33 68.43 1x4k n THR 45 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1x4k s LYS 46 N -3.66 2.27 -0.51 -0.78 -2.85 -1.25 -5.01 119.74 107.95 1x4k s LYS 46 Ca 0.36 -1.14 -0.30 0.00 -1.00 0.00 0.00 55.97 53.90 1x4k s LYS 46 Cb 0.37 -2.30 -0.15 0.00 -2.06 0.00 0.00 37.83 33.69 1x4k s LYS 46 CO -0.01 0.46 1.76 0.43 0.10 0.00 0.00 175.35 178.09 1x4k n SER 47 N 0.07 0.45 -3.81 0.03 7.64 -1.26 -4.87 113.62 111.85 1x4k n SER 47 Ca -0.11 0.38 -0.12 0.00 1.01 0.00 0.00 58.87 60.03 1x4k n SER 47 Cb 0.55 -0.68 -0.09 0.00 -1.01 0.00 0.00 64.21 62.97 1x4k n SER 47 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1x4k s PHE 48 N 5.32 -0.09 -0.45 1.43 -0.71 -1.26 -3.63 117.98 118.60 1x4k s PHE 48 Ca 0.95 0.11 -0.12 0.00 -1.04 0.00 0.00 56.93 56.83 1x4k s PHE 48 Cb -1.07 0.03 0.08 0.00 -1.21 0.00 0.00 43.02 40.85 1x4k s PHE 48 CO 0.45 -0.32 0.33 0.42 -1.34 0.00 0.00 175.22 174.76 1x4k s ILE 49 N -1.25 4.71 -0.15 -4.49 1.09 0.56 -4.92 121.20 116.76 1x4k s ILE 49 Ca -0.13 -1.25 -0.29 0.00 -1.10 0.00 0.00 60.65 57.87 1x4k s ILE 49 Cb -0.06 -3.85 -0.03 0.00 -1.06 0.00 0.00 42.46 37.45 1x4k s ILE 49 CO 0.03 -0.55 1.56 -2.16 -0.10 0.00 0.00 174.94 173.72 1x4k s PRO 50 N 1.53 4.02 0.35 2.79 0.04 -1.26 -2.30 135.00 140.17 1x4k s PRO 50 Ca 0.04 1.85 -0.16 0.00 0.04 0.00 0.00 61.00 62.77 1x4k s PRO 50 Cb -0.24 -3.96 -0.09 0.00 0.04 0.00 0.00 34.50 30.25 1x4k s PRO 50 CO 0.04 -1.01 0.77 0.21 0.04 0.00 0.00 177.00 177.05 1x4k s LYS 51 N 4.21 4.02 0.00 4.56 2.47 0.26 -4.96 119.74 130.30 1x4k s LYS 51 Ca 0.69 0.73 -0.00 0.00 -1.56 0.00 0.00 55.97 55.82 1x4k s LYS 51 Cb -0.27 -2.39 -0.00 0.00 -1.46 0.00 0.00 37.83 33.71 1x4k s LYS 51 CO 0.26 0.11 0.52 -0.25 0.16 0.00 0.00 175.35 176.15 1x4k n ASP 52 N -0.49 -0.01 -0.91 1.43 8.00 -1.26 -1.41 116.55 121.90 1x4k n ASP 52 Ca 0.04 0.52 0.00 0.00 0.71 0.00 0.00 54.79 56.06 1x4k n ASP 52 Cb 0.53 -0.26 0.20 0.00 -0.02 0.00 0.00 41.12 41.57 1x4k n ASP 52 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1x4k n ASN 53 N -2.55 2.20 -3.06 -2.24 3.02 -1.26 -5.03 115.26 106.35 1x4k n ASN 53 Ca 0.00 -3.86 -0.10 0.00 -0.03 0.00 0.00 54.58 50.59 1x4k n ASN 53 Cb 0.00 -0.57 0.00 0.00 -0.61 0.00 0.00 39.78 38.61 1x4k n ASN 53 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1x4k s GLN 54 N -3.27 2.12 -0.02 3.52 -0.21 -0.50 -5.17 119.66 116.13 1x4k s GLN 54 Ca 0.42 -1.52 0.01 0.00 0.02 0.00 0.00 55.36 54.29 1x4k s GLN 54 Cb 0.39 0.57 0.02 0.00 1.00 0.00 0.00 33.01 34.99 1x4k s GLN 54 CO -0.04 -0.96 -0.01 -0.80 -2.12 0.00 0.00 175.29 171.36 1x4k s ASN 55 N -3.11 0.39 -0.03 5.90 -0.87 -1.26 0.92 114.94 116.87 1x4k s ASN 55 Ca 0.20 -0.03 -0.02 0.00 -1.57 0.00 0.00 52.86 51.44 1x4k s ASN 55 Cb -0.04 -0.18 0.02 0.00 -0.02 0.00 0.00 41.25 41.04 1x4k s ASN 55 CO 0.14 -0.07 0.07 -0.36 -2.57 0.00 0.00 177.10 174.31 1x4k s PHE 56 N 0.74 -0.06 1.04 2.20 0.08 -0.97 -1.48 117.98 119.53 1x4k s PHE 56 Ca -0.07 0.22 -0.17 0.00 0.12 0.00 0.00 56.93 57.03 1x4k s PHE 56 Cb -0.11 -0.08 0.26 0.00 -0.57 0.00 0.00 43.02 42.53 1x4k s PHE 56 CO -0.01 -0.08 0.83 0.00 -0.10 0.00 0.00 175.22 175.86 1x4k h VAL 58 N -2.71 1.22 0.00 0.00 2.07 -1.91 0.40 116.25 115.32 1x4k h VAL 58 Ca -0.33 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.52 1x4k h VAL 58 Cb 1.03 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 1x4k h VAL 58 CO 0.21 0.17 0.00 1.55 0.02 0.00 0.00 177.57 179.52 1x4k h PRO 59 N -0.29 0.00 0.00 1.57 0.13 -1.93 -2.91 132.00 128.58 1x4k h PRO 59 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1x4k h PRO 59 Cb 0.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.42 1x4k h PRO 59 CO 0.00 0.00 -0.46 0.00 -0.23 0.00 0.00 178.00 177.31 1x4k h TYR 61 N -0.73 0.81 -0.87 0.00 3.20 -0.30 0.97 116.97 120.05 1x4k h TYR 61 Ca 0.00 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.94 1x4k h TYR 61 Cb 0.46 -0.21 -0.05 0.00 1.54 0.00 0.00 36.73 38.47 1x4k h TYR 61 CO -0.20 -0.22 0.57 0.93 -1.64 0.00 0.00 178.16 177.60 1x4k h GLU 62 N 0.22 1.06 -0.11 1.82 3.07 -1.69 -1.29 114.58 117.66 1x4k h GLU 62 Ca 0.76 -0.06 -0.08 0.00 -0.50 0.00 0.00 59.36 59.48 1x4k h GLU 62 Cb 1.96 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 29.62 1x4k h GLU 62 CO -0.57 0.70 -0.28 0.87 -1.40 0.00 0.00 179.01 178.33 1x4k h LYS 63 N 1.09 0.20 -0.84 2.33 1.79 0.83 0.16 116.57 122.13 1x4k h LYS 63 Ca 0.34 -0.07 0.01 0.00 -2.18 0.00 0.00 60.65 58.75 1x4k h LYS 63 Cb 0.01 -0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.60 1x4k h LYS 63 CO -0.10 0.47 0.56 0.37 -1.08 0.00 0.00 179.45 179.67 1x4k h GLN 64 N 0.18 1.11 0.16 3.15 -0.00 -0.93 -3.10 115.11 115.68 1x4k h GLN 64 Ca 0.03 -0.07 -0.33 0.00 -0.00 0.00 0.00 58.65 58.28 1x4k h GLN 64 Cb 0.59 -0.25 0.00 0.00 0.00 0.00 0.00 27.48 27.83 1x4k h GLN 64 CO 0.04 0.73 -1.64 1.12 0.00 0.00 0.00 178.83 179.08 1x4k h HIS 65 N 1.14 0.61 -2.57 3.99 2.07 -1.40 -3.47 115.15 115.52 1x4k h HIS 65 Ca 0.31 -0.45 -0.60 0.00 -2.85 0.00 0.00 60.37 56.78 1x4k h HIS 65 Cb -0.13 -0.02 0.12 0.00 2.57 0.00 0.00 27.41 29.94 1x4k h HIS 65 CO -0.01 1.64 0.10 0.00 -3.07 0.00 0.00 177.93 176.59 1x4k n ALA 66 N -2.91 -0.22 -2.71 6.11 0.00 0.56 -4.96 120.51 116.38 1x4k n ALA 66 Ca -0.25 0.35 -0.36 0.00 0.00 0.00 0.00 53.44 53.18 1x4k n ALA 66 Cb 1.01 -2.02 -0.06 0.00 0.00 0.00 0.00 19.45 18.39 1x4k n ALA 66 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1x4k s SER 67 N -0.61 6.56 0.00 0.00 0.01 -1.26 -4.89 113.70 113.50 1x4k s SER 67 Ca 0.60 0.66 0.00 0.00 1.31 0.00 0.00 55.95 58.51 1x4k s SER 67 Cb -0.67 -2.13 0.00 0.00 0.21 0.00 0.00 66.02 63.43 1x4k s SER 67 CO 0.59 0.29 0.00 0.61 0.41 0.00 0.00 173.24 175.15 1x4k n GLY 68 N 1.44 -1.15 3.56 3.44 0.00 -1.26 -5.09 105.19 106.13 1x4k n GLY 68 Ca -0.13 0.70 -0.40 0.00 0.00 0.00 0.00 46.02 46.19 1x4k n GLY 68 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4k s PRO 69 N 1.66 2.81 -0.38 1.61 0.04 -1.26 -4.95 135.00 134.52 1x4k s PRO 69 Ca 0.00 0.78 -0.29 0.00 0.04 0.00 0.00 61.00 61.53 1x4k s PRO 69 Cb 0.00 -4.33 0.02 0.00 0.04 0.00 0.00 34.50 30.23 1x4k s PRO 69 CO 0.00 -2.51 1.12 -1.54 0.04 0.00 0.00 177.00 174.11 1x4k s SER 70 N 7.52 6.78 -0.26 6.66 1.04 -1.26 -4.91 113.70 129.27 1x4k s SER 70 Ca 0.69 0.82 -0.02 0.00 0.48 0.00 0.00 55.95 57.93 1x4k s SER 70 Cb -0.14 -2.55 0.11 0.00 0.10 0.00 0.00 66.02 63.54 1x4k s SER 70 CO 0.24 -1.06 2.27 -1.54 0.98 0.00 0.00 173.24 174.13 1x4k n SER 71 N 7.35 6.17 0.00 7.02 3.41 -1.26 -5.33 113.62 130.99 1x4k n SER 71 Ca 0.12 -2.92 0.00 0.00 -0.26 0.00 0.00 58.87 55.81 1x4k n SER 71 Cb 0.48 -1.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.30 1x4k n SER 71 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49