#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4k s SER 2 N 0.00 5.05 0.00 1.61 0.15 -1.26 -5.14 113.70 114.11 1x4k s SER 2 Ca 0.00 -0.89 0.01 0.00 0.70 0.00 0.00 55.95 55.77 1x4k s SER 2 Cb 0.00 0.18 -0.01 0.00 -1.71 0.00 0.00 66.02 64.48 1x4k s SER 2 CO 0.00 -1.19 -0.03 -0.94 1.20 0.00 0.00 173.24 172.28 1x4k s SER 3 N -4.52 0.35 -0.05 5.45 1.04 -1.26 -5.03 113.70 109.68 1x4k s SER 3 Ca 0.54 -0.14 -0.04 0.00 0.48 0.00 0.00 55.95 56.79 1x4k s SER 3 Cb -0.05 -0.01 0.02 0.00 0.10 0.00 0.00 66.02 66.07 1x4k s SER 3 CO 0.34 -0.03 0.08 0.61 0.98 0.00 0.00 173.24 175.23 1x4k n GLY 4 N 2.72 -5.04 3.49 7.32 0.00 -1.26 -4.91 105.19 107.51 1x4k n GLY 4 Ca -0.15 0.54 -0.11 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.49 -0.70 0.25 1.61 0.01 -1.26 -4.37 113.70 108.74 1x4k s SER 5 Ca -0.10 1.23 -0.15 0.00 1.31 0.00 0.00 55.95 58.24 1x4k s SER 5 Cb 0.01 1.16 0.00 0.00 0.21 0.00 0.00 66.02 67.40 1x4k s SER 5 CO 0.26 -0.21 0.52 -0.44 0.41 0.00 0.00 173.24 173.79 1x4k s SER 6 N 1.00 -0.13 -0.03 2.44 0.01 -1.21 -5.05 113.70 110.72 1x4k s SER 6 Ca -0.05 -0.84 0.02 0.00 1.31 0.00 0.00 55.95 56.39 1x4k s SER 6 Cb -0.05 0.61 0.01 0.00 0.21 0.00 0.00 66.02 66.79 1x4k s SER 6 CO -0.09 -1.17 -0.10 -0.83 0.41 0.00 0.00 173.24 171.46 1x4k s GLY 7 N -2.99 0.58 0.76 3.44 0.00 -1.26 -0.17 107.32 107.67 1x4k s GLY 7 Ca 0.19 -0.34 -0.11 0.00 0.00 0.00 0.00 44.72 44.46 1x4k s GLY 7 CO 0.08 -0.04 1.08 0.00 0.00 0.00 0.00 173.10 174.22 1x4k n GLN 9 N -3.33 1.49 0.20 0.00 1.13 -0.74 -3.58 117.38 112.55 1x4k n GLN 9 Ca 0.07 0.03 -0.08 0.00 -1.94 0.00 0.00 57.00 55.08 1x4k n GLN 9 Cb 0.55 -1.25 -0.04 0.00 0.11 0.00 0.00 30.24 29.61 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 -0.50 -0.01 -1.09 4.57 -1.93 -3.28 114.58 112.34 1x4k h GLU 10 Ca -0.27 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.94 1x4k h GLU 10 Cb 1.53 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 30.23 1x4k h GLU 10 CO -0.01 -0.33 -0.37 0.00 -1.18 0.00 0.00 179.01 177.12 1x4k n LYS 12 N -0.26 -4.54 -4.12 0.00 4.76 -1.23 -4.99 118.16 107.78 1x4k n LYS 12 Ca 0.11 0.87 -0.34 0.00 -2.87 0.00 0.00 58.31 56.08 1x4k n LYS 12 Cb 0.42 -5.63 -0.07 0.00 -1.84 0.00 0.00 35.03 27.91 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 -5.61 3.09 0.03 1.97 -0.14 -1.26 -4.77 119.74 113.06 1x4k s LYS 13 Ca 0.28 -0.44 -0.32 0.00 -1.36 0.00 0.00 55.97 54.13 1x4k s LYS 13 Cb -0.12 -2.88 -0.11 0.00 -1.68 0.00 0.00 37.83 33.04 1x4k s LYS 13 CO 0.34 0.67 1.89 2.41 -0.76 0.00 0.00 175.35 179.90 1x4k n THR 14 N 1.39 0.58 -2.78 2.17 -1.04 -1.26 -0.39 114.28 112.94 1x4k n THR 14 Ca -0.14 -0.10 -0.43 0.00 -2.04 0.00 0.00 64.05 61.33 1x4k n THR 14 Cb 0.53 -2.10 -0.04 0.00 -1.82 0.00 0.00 70.33 66.91 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 3.75 4.33 0.71 12.58 1.01 0.76 -4.84 121.20 139.49 1x4k s ILE 15 Ca 0.88 0.51 -0.16 0.00 0.00 0.00 0.00 60.65 61.88 1x4k s ILE 15 Cb -0.54 -4.56 0.02 0.00 0.01 0.00 0.00 42.46 37.39 1x4k s ILE 15 CO 0.44 -1.10 1.19 0.23 0.00 0.00 0.00 174.94 175.69 1x4k n MET 16 N 7.60 0.71 0.18 2.79 2.81 -1.26 -3.34 117.12 126.61 1x4k n MET 16 Ca 0.04 0.30 0.14 0.00 -1.81 0.00 0.00 57.70 56.37 1x4k n MET 16 Cb 0.48 -2.43 0.57 0.00 -0.71 0.00 0.00 33.22 31.13 1x4k n MET 16 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 1x4k h PRO 17 N -0.05 0.00 -2.39 0.03 0.13 -1.91 -3.30 132.00 124.50 1x4k h PRO 17 Ca -0.49 0.00 -0.75 0.00 -0.87 0.00 0.00 66.00 63.90 1x4k h PRO 17 Cb 1.33 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.27 1x4k h PRO 17 CO 0.50 0.00 1.66 0.41 -0.23 0.00 0.00 178.00 180.34 1x4k n GLY 18 N -0.03 5.49 3.60 1.56 0.00 -1.26 -4.89 105.19 109.66 1x4k n GLY 18 Ca 0.01 -2.25 -0.06 0.00 0.00 0.00 0.00 46.02 43.72 1x4k n GLY 18 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1x4k s THR 19 N -2.63 0.00 -0.35 2.61 -1.32 -1.24 -5.13 115.64 107.57 1x4k s THR 19 Ca 0.49 0.00 -0.20 0.00 -1.21 0.00 0.00 61.69 60.77 1x4k s THR 19 Cb 0.22 -1.00 -0.00 0.00 -1.51 0.00 0.00 72.50 70.21 1x4k s THR 19 CO -0.14 0.00 0.61 -0.13 -2.21 0.00 0.00 174.62 172.75 1x4k s ARG 20 N -1.61 3.69 0.44 7.08 0.52 -1.26 -5.00 118.95 122.80 1x4k s ARG 20 Ca 0.05 0.03 0.07 0.00 -0.52 0.00 0.00 55.73 55.37 1x4k s ARG 20 Cb -0.01 -3.80 -0.02 0.00 0.52 0.00 0.00 34.95 31.64 1x4k s ARG 20 CO -0.04 -0.70 0.33 -1.59 0.02 0.00 0.00 175.30 173.32 1x4k s LYS 21 N 2.63 2.39 -0.36 3.54 -2.85 -1.26 -3.65 119.74 120.17 1x4k s LYS 21 Ca 0.23 -1.72 -0.03 0.00 -1.00 0.00 0.00 55.97 53.46 1x4k s LYS 21 Cb -0.15 -2.21 0.08 0.00 -2.06 0.00 0.00 37.83 33.49 1x4k s LYS 21 CO 0.14 -0.25 0.12 -1.64 0.10 0.00 0.00 175.35 173.82 1x4k s MET 22 N -4.09 2.23 -0.34 1.78 -1.94 -0.51 -4.93 119.30 111.51 1x4k s MET 22 Ca 0.44 -1.54 -0.25 0.00 -1.71 0.00 0.00 55.69 52.63 1x4k s MET 22 Cb -0.01 -3.42 0.01 0.00 2.01 0.00 0.00 34.83 33.42 1x4k s MET 22 CO 0.25 -0.86 0.88 -1.21 -0.01 0.00 0.00 175.02 174.07 1x4k s GLU 23 N 1.21 3.91 -0.07 2.03 2.02 -1.26 -1.60 118.70 124.95 1x4k s GLU 23 Ca 0.02 0.62 -0.03 0.00 0.02 0.00 0.00 54.97 55.61 1x4k s GLU 23 Cb -0.21 -3.76 0.04 0.00 0.10 0.00 0.00 34.13 30.29 1x4k s GLU 23 CO -0.02 -0.82 0.10 -0.47 0.02 0.00 0.00 175.26 174.06 1x4k s TYR 24 N 3.25 -0.02 -1.24 1.61 6.14 0.88 -4.87 117.35 123.10 1x4k s TYR 24 Ca 0.36 0.33 -0.05 0.00 0.64 0.00 0.00 57.07 58.36 1x4k s TYR 24 Cb -0.13 -0.42 0.01 0.00 0.42 0.00 0.00 41.96 41.83 1x4k s TYR 24 CO 0.15 -0.25 1.06 1.63 0.64 0.00 0.00 175.55 178.79 1x4k n LYS 25 N 5.31 -7.12 0.00 4.97 4.76 -1.26 -2.50 118.16 122.31 1x4k n LYS 25 Ca -0.04 0.81 0.00 0.00 -2.87 0.00 0.00 58.31 56.21 1x4k n LYS 25 Cb 0.50 -5.76 0.00 0.00 -1.84 0.00 0.00 35.03 27.93 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 -1.59 1.16 3.83 0.72 0.00 -1.26 -4.95 105.19 103.10 1x4k n GLY 26 Ca -0.12 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 5.84 0.26 1.61 0.01 -1.04 -5.03 113.70 115.35 1x4k s SER 27 Ca 0.00 1.64 0.10 0.00 1.31 0.00 0.00 55.95 59.00 1x4k s SER 27 Cb 0.00 -2.50 -0.05 0.00 0.21 0.00 0.00 66.02 63.67 1x4k s SER 27 CO 0.00 -1.13 -0.16 -0.44 0.41 0.00 0.00 173.24 171.92 1x4k s SER 28 N -3.43 3.24 -0.04 2.44 0.01 -1.26 -0.08 113.70 114.58 1x4k s SER 28 Ca 0.59 -1.06 -0.01 0.00 1.31 0.00 0.00 55.95 56.79 1x4k s SER 28 Cb -0.13 -0.25 0.03 0.00 0.21 0.00 0.00 66.02 65.88 1x4k s SER 28 CO 0.45 -0.07 0.08 0.26 0.41 0.00 0.00 173.24 174.36 1x4k s TRP 29 N -2.70 -0.03 0.74 2.43 0.51 -0.62 -1.79 118.94 117.47 1x4k s TRP 29 Ca 0.28 0.28 -0.16 0.00 -2.12 0.00 0.00 56.10 54.38 1x4k s TRP 29 Cb -0.02 -0.24 -0.04 0.00 -0.81 0.00 0.00 33.47 32.35 1x4k s TRP 29 CO 0.12 -0.14 0.46 0.72 -0.51 0.00 0.00 176.95 177.61 1x4k n HIS 30 N 4.48 -1.02 0.30 -1.98 8.25 -1.26 -1.42 115.22 122.57 1x4k n HIS 30 Ca -0.21 0.34 0.16 0.00 -0.26 0.00 0.00 57.72 57.74 1x4k n HIS 30 Cb 0.50 -1.89 0.96 0.00 1.12 0.00 0.00 29.99 30.68 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 -0.45 0.00 -0.10 -0.41 4.11 -1.93 0.83 114.58 116.62 1x4k h GLU 31 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 1x4k h GLU 31 Cb 1.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.60 1x4k h GLU 31 CO 0.41 0.00 0.00 0.25 0.07 0.00 0.00 179.01 179.75 1x4k n THR 32 N -3.73 0.12 -0.06 -1.06 -2.24 -1.26 -4.29 114.28 101.75 1x4k n THR 32 Ca -0.03 -0.56 -0.04 0.00 -2.27 0.00 0.00 64.05 61.16 1x4k n THR 32 Cb 0.08 1.33 -0.12 0.00 -2.10 0.00 0.00 70.33 69.52 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 -2.45 0.07 -0.66 0.00 7.35 -0.23 -4.88 117.46 116.66 1x4k n PHE 34 Ca -0.20 -0.03 -0.22 0.00 -0.76 0.00 0.00 57.45 56.25 1x4k n PHE 34 Cb 0.86 -0.05 0.11 0.00 0.35 0.00 0.00 39.48 40.75 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 -0.21 0.00 -1.73 -2.13 -6.64 -1.26 -4.51 119.36 102.88 1x4k n ILE 35 Ca 0.01 -0.08 -0.30 0.00 -1.77 0.00 0.00 62.75 60.61 1x4k n ILE 35 Cb 0.15 -0.37 0.08 0.00 -1.44 0.00 0.00 39.64 38.05 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 -3.30 0.01 -0.06 0.00 8.25 -0.27 -3.23 115.22 116.62 1x4k n HIS 37 Ca 0.07 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.45 1x4k n HIS 37 Cb 0.58 -0.20 -0.03 0.00 1.12 0.00 0.00 29.99 31.46 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 -1.79 0.39 0.00 -0.41 0.63 -1.26 -4.65 116.66 109.56 1x4k n ARG 38 Ca 0.01 0.16 0.13 0.00 -0.92 0.00 0.00 57.85 57.22 1x4k n ARG 38 Cb 0.42 -1.17 0.37 0.00 0.45 0.00 0.00 32.46 32.53 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 -1.33 -5.02 -4.52 0.00 1.13 -1.20 -4.91 117.38 101.52 1x4k n GLN 40 Ca 0.08 0.58 -0.30 0.00 -1.94 0.00 0.00 57.00 55.41 1x4k n GLN 40 Cb 0.33 -5.28 -0.13 0.00 0.11 0.00 0.00 30.24 25.27 1x4k n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1x4k s GLN 41 N -6.42 1.81 -1.14 -1.09 -1.52 -1.26 -4.60 119.66 105.45 1x4k s GLN 41 Ca 0.39 -1.14 -0.23 0.00 -1.95 0.00 0.00 55.36 52.43 1x4k s GLN 41 Cb -0.20 -2.08 -0.08 0.00 -0.22 0.00 0.00 33.01 30.43 1x4k s GLN 41 CO 0.83 0.50 1.94 -1.25 -0.25 0.00 0.00 175.29 177.06 1x4k s PRO 42 N -1.76 2.50 0.14 2.91 0.04 -1.26 0.71 135.00 138.27 1x4k s PRO 42 Ca 0.15 -1.01 -0.26 0.00 0.04 0.00 0.00 61.00 59.92 1x4k s PRO 42 Cb -0.10 -5.21 -0.06 0.00 0.04 0.00 0.00 34.50 29.17 1x4k s PRO 42 CO 0.07 -3.89 1.43 -0.89 0.04 0.00 0.00 177.00 173.76 1x4k n ILE 43 N 7.82 -0.58 0.00 0.56 5.41 -1.26 -4.88 119.36 126.43 1x4k n ILE 43 Ca 0.44 2.24 0.00 0.00 1.00 0.00 0.00 62.75 66.43 1x4k n ILE 43 Cb 0.47 -2.79 0.00 0.00 -0.71 0.00 0.00 39.64 36.61 1x4k n ILE 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1x4k n GLY 44 N -1.21 1.13 2.40 7.39 0.00 -1.26 -4.25 105.19 109.40 1x4k n GLY 44 Ca 0.02 -0.94 -0.16 0.00 0.00 0.00 0.00 46.02 44.93 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 1.98 -3.98 2.61 -2.24 -1.26 -5.07 114.28 106.32 1x4k n THR 45 Ca 0.00 -3.87 -0.23 0.00 -2.27 0.00 0.00 64.05 57.68 1x4k n THR 45 Cb 0.00 -0.29 -0.06 0.00 -2.10 0.00 0.00 70.33 67.88 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 -3.59 2.36 -0.37 -0.78 0.00 -1.26 -5.03 119.74 111.07 1x4k s LYS 46 Ca 0.41 -1.66 -0.33 0.00 0.00 0.00 0.00 55.97 54.38 1x4k s LYS 46 Cb 0.39 -2.15 -0.10 0.00 0.00 0.00 0.00 37.83 35.97 1x4k s LYS 46 CO -0.02 -0.06 2.24 0.43 0.00 0.00 0.00 175.35 177.93 1x4k n SER 47 N -1.29 2.24 -3.86 0.03 7.64 -1.26 -4.92 113.62 112.21 1x4k n SER 47 Ca -0.01 0.30 -0.12 0.00 1.01 0.00 0.00 58.87 60.05 1x4k n SER 47 Cb 0.63 -1.32 -0.12 0.00 -1.01 0.00 0.00 64.21 62.39 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 7.93 -0.03 -0.52 1.43 -0.71 -1.26 -3.78 117.98 121.04 1x4k s PHE 48 Ca 1.08 0.09 -0.18 0.00 -1.04 0.00 0.00 56.93 56.89 1x4k s PHE 48 Cb -0.74 -0.01 0.08 0.00 -1.21 0.00 0.00 43.02 41.14 1x4k s PHE 48 CO 0.45 -0.14 0.55 0.42 -1.34 0.00 0.00 175.22 175.16 1x4k s ILE 49 N -0.54 5.02 -0.06 -4.49 1.09 -0.31 -4.96 121.20 116.95 1x4k s ILE 49 Ca -0.06 -0.92 -0.30 0.00 -1.10 0.00 0.00 60.65 58.27 1x4k s ILE 49 Cb -0.04 -4.29 -0.05 0.00 -1.06 0.00 0.00 42.46 37.02 1x4k s ILE 49 CO 0.00 -0.82 1.49 -2.16 -0.10 0.00 0.00 174.94 173.36 1x4k s PRO 50 N 2.19 4.22 0.32 2.79 0.04 -1.26 -2.68 135.00 140.63 1x4k s PRO 50 Ca 0.09 2.01 -0.05 0.00 0.04 0.00 0.00 61.00 63.09 1x4k s PRO 50 Cb -0.23 -3.79 -0.05 0.00 0.04 0.00 0.00 34.50 30.46 1x4k s PRO 50 CO 0.08 -0.73 0.60 0.21 0.04 0.00 0.00 177.00 177.20 1x4k s LYS 51 N 3.36 3.64 0.00 4.56 2.20 0.44 -4.97 119.74 128.97 1x4k s LYS 51 Ca 0.66 0.06 0.00 0.00 -0.36 0.00 0.00 55.97 56.34 1x4k s LYS 51 Cb -0.30 -2.59 0.00 0.00 -1.51 0.00 0.00 37.83 33.42 1x4k s LYS 51 CO 0.25 0.15 0.55 -0.25 -0.36 0.00 0.00 175.35 175.69 1x4k n ASP 52 N -1.11 0.00 -0.57 1.43 8.00 -1.26 -1.89 116.55 121.15 1x4k n ASP 52 Ca -0.01 0.55 0.06 0.00 0.71 0.00 0.00 54.79 56.09 1x4k n ASP 52 Cb 0.54 -0.27 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 -2.50 1.93 -3.98 -2.24 4.13 -1.26 -5.03 115.26 106.31 1x4k n ASN 53 Ca 0.00 -3.74 -0.09 0.00 1.68 0.00 0.00 54.58 52.43 1x4k n ASN 53 Cb 0.00 -0.52 -0.05 0.00 -1.54 0.00 0.00 39.78 37.66 1x4k n ASN 53 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1x4k s GLN 54 N -3.17 1.50 -0.06 3.52 -0.21 -0.79 -5.17 119.66 115.28 1x4k s GLN 54 Ca 0.38 -1.22 0.00 0.00 0.02 0.00 0.00 55.36 54.54 1x4k s GLN 54 Cb 0.36 0.47 0.02 0.00 1.00 0.00 0.00 33.01 34.86 1x4k s GLN 54 CO -0.04 -0.62 -0.04 -0.80 -2.12 0.00 0.00 175.29 171.67 1x4k s ASN 55 N -3.01 1.30 -0.02 5.90 0.01 -1.26 0.17 114.94 118.02 1x4k s ASN 55 Ca 0.21 -0.14 0.02 0.00 -0.71 0.00 0.00 52.86 52.24 1x4k s ASN 55 Cb -0.00 -0.50 0.01 0.00 0.41 0.00 0.00 41.25 41.16 1x4k s ASN 55 CO 0.08 -0.10 -0.07 -0.36 -1.51 0.00 0.00 177.10 175.14 1x4k s PHE 56 N 1.31 0.77 0.76 2.20 0.40 -1.09 -1.11 117.98 121.21 1x4k s PHE 56 Ca -0.05 -0.18 -0.13 0.00 -0.60 0.00 0.00 56.93 55.97 1x4k s PHE 56 Cb -0.14 -0.57 0.19 0.00 0.51 0.00 0.00 43.02 43.01 1x4k s PHE 56 CO -0.02 -0.10 0.58 0.00 0.70 0.00 0.00 175.22 176.38 1x4k h VAL 58 N -2.49 1.22 0.00 0.00 2.07 -1.93 0.38 116.25 115.50 1x4k h VAL 58 Ca -0.23 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.50 1x4k h VAL 58 Cb 0.73 1.74 -0.00 0.00 -1.52 0.00 0.00 31.29 32.24 1x4k h VAL 58 CO 0.15 0.20 -0.07 1.55 0.02 0.00 0.00 177.57 179.41 1x4k h PRO 59 N -0.36 0.00 0.11 1.57 0.13 -1.93 -1.28 132.00 130.24 1x4k h PRO 59 Ca -0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.79 1x4k h PRO 59 Cb 0.35 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.46 1x4k h PRO 59 CO 0.01 0.07 -1.84 0.00 -0.23 0.00 0.00 178.00 176.00 1x4k h TYR 61 N -0.12 -0.07 -0.56 0.00 3.20 -0.21 -2.62 116.97 116.59 1x4k h TYR 61 Ca -0.40 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.56 1x4k h TYR 61 Cb 1.91 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 40.17 1x4k h TYR 61 CO 0.08 0.35 0.38 0.93 -1.64 0.00 0.00 178.16 178.26 1x4k h GLU 62 N -0.52 0.35 0.69 1.82 4.39 -1.42 0.52 114.58 120.40 1x4k h GLU 62 Ca -0.01 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.64 1x4k h GLU 62 Cb 0.46 -0.08 0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1x4k h GLU 62 CO 0.01 0.23 -0.33 0.87 -1.16 0.00 0.00 179.01 178.64 1x4k h LYS 63 N 0.36 -0.89 0.50 2.33 1.57 -1.59 -2.31 116.57 116.55 1x4k h LYS 63 Ca 0.26 0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 59.07 1x4k h LYS 63 Cb 0.53 0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1x4k h LYS 63 CO -0.07 -0.59 -0.24 -0.56 -0.57 0.00 0.00 179.45 177.42 1x4k h GLN 64 N -1.22 -0.65 -0.92 3.15 3.07 -1.18 -3.18 115.11 114.17 1x4k h GLN 64 Ca -0.09 0.04 0.23 0.00 0.09 0.00 0.00 58.65 58.92 1x4k h GLN 64 Cb 0.71 0.15 -0.17 0.00 0.08 0.00 0.00 27.48 28.25 1x4k h GLN 64 CO 0.16 -0.35 -0.02 1.25 0.09 0.00 0.00 178.83 179.96 1x4k h HIS 65 N -0.98 -0.12 -3.25 0.06 2.76 -0.11 -3.28 115.15 110.24 1x4k h HIS 65 Ca -0.07 0.07 -0.71 0.00 -2.20 0.00 0.00 60.37 57.46 1x4k h HIS 65 Cb 0.61 0.20 -0.20 0.00 1.55 0.00 0.00 27.41 29.56 1x4k h HIS 65 CO 0.01 -0.37 -0.12 0.00 -1.30 0.00 0.00 177.93 176.15 1x4k s ALA 66 N -6.08 3.47 0.13 5.26 0.00 -0.87 -5.03 121.76 118.65 1x4k s ALA 66 Ca -0.13 -1.96 -0.35 0.00 0.00 0.00 0.00 51.96 49.52 1x4k s ALA 66 Cb 0.27 -3.24 -0.16 0.00 0.00 0.00 0.00 23.12 19.99 1x4k s ALA 66 CO 0.77 -1.91 1.34 0.45 0.00 0.00 0.00 175.76 176.41 1x4k n SER 67 N 5.74 1.89 0.00 0.00 2.88 -1.24 -4.71 113.62 118.18 1x4k n SER 67 Ca -0.09 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.57 1x4k n SER 67 Cb 0.44 -1.25 0.00 0.00 -0.75 0.00 0.00 64.21 62.65 1x4k n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4k n GLY 68 N 2.52 1.87 3.57 0.46 0.00 -1.26 -5.06 105.19 107.28 1x4k n GLY 68 Ca 0.17 -0.28 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 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 0.96 2.94 -1.09 1.61 0.04 -1.26 -4.90 135.00 133.29 1x4k s PRO 69 Ca 0.00 0.90 -0.23 0.00 0.04 0.00 0.00 61.00 61.71 1x4k s PRO 69 Cb 0.00 -4.29 -0.08 0.00 0.04 0.00 0.00 34.50 30.17 1x4k s PRO 69 CO 0.00 -2.34 1.95 -1.12 0.04 0.00 0.00 177.00 175.52 1x4k s SER 70 N 7.06 5.02 -0.29 6.66 0.01 -1.26 -4.81 113.70 126.10 1x4k s SER 70 Ca 0.71 -1.34 -0.15 0.00 1.31 0.00 0.00 55.95 56.48 1x4k s SER 70 Cb -0.16 -2.58 0.10 0.00 0.21 0.00 0.00 66.02 63.59 1x4k s SER 70 CO 0.26 -3.02 0.71 -0.55 0.41 0.00 0.00 173.24 171.05 1x4k s SER 71 N 7.04 -0.95 0.00 2.44 0.15 -1.26 -5.33 113.70 115.78 1x4k s SER 71 Ca 0.69 1.46 0.00 0.00 0.70 0.00 0.00 55.95 58.80 1x4k s SER 71 Cb -0.03 1.60 0.00 0.00 -1.71 0.00 0.00 66.02 65.88 1x4k s SER 71 CO 0.09 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.92