#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 1.74 -0.25 1.61 2.88 -1.26 -4.46 113.62 113.88 1x4k n SER 2 Ca 0.00 0.54 0.06 0.00 -1.33 0.00 0.00 58.87 58.13 1x4k n SER 2 Cb 0.00 -0.82 0.18 0.00 -0.75 0.00 0.00 64.21 62.83 1x4k n SER 2 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1x4k h SER 3 N -0.94 0.05 -2.96 -3.46 0.02 -2.06 -3.32 113.55 100.88 1x4k h SER 3 Ca 0.00 0.14 -0.69 0.00 -0.84 0.00 0.00 61.79 60.40 1x4k h SER 3 Cb 0.60 0.18 -0.19 0.00 0.14 0.00 0.00 62.40 63.14 1x4k h SER 3 CO 0.00 -0.02 0.15 -0.83 -1.14 0.00 0.00 176.83 174.99 1x4k s GLY 4 N -3.54 1.72 -0.11 -3.77 0.00 -1.26 -4.91 107.32 95.46 1x4k s GLY 4 Ca -0.13 -2.06 -0.00 0.00 0.00 0.00 0.00 44.72 42.53 1x4k s GLY 4 CO 0.76 1.62 1.77 1.44 0.00 0.00 0.00 173.10 178.68 1x4k n SER 5 N 6.47 5.01 -4.47 1.64 7.64 -1.25 -3.69 113.62 124.96 1x4k n SER 5 Ca -0.08 -2.55 -0.24 0.00 1.01 0.00 0.00 58.87 57.02 1x4k n SER 5 Cb 0.43 -0.95 -0.10 0.00 -1.01 0.00 0.00 64.21 62.59 1x4k n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x4k s SER 6 N 1.11 3.41 -0.08 6.43 1.04 -1.26 -5.14 113.70 119.21 1x4k s SER 6 Ca 0.11 -1.09 -0.30 0.00 0.48 0.00 0.00 55.95 55.15 1x4k s SER 6 Cb 0.09 -0.28 0.10 0.00 0.10 0.00 0.00 66.02 66.03 1x4k s SER 6 CO 0.00 -0.10 0.82 -0.83 0.98 0.00 0.00 173.24 174.12 1x4k s GLY 7 N -3.51 -0.44 0.51 7.32 0.00 -1.26 -4.20 107.32 105.74 1x4k s GLY 7 Ca 0.30 1.55 -0.04 0.00 0.00 0.00 0.00 44.72 46.53 1x4k s GLY 7 CO 0.14 0.90 0.79 0.00 0.00 0.00 0.00 173.10 174.93 1x4k n GLN 9 N -2.31 1.02 0.00 0.00 1.13 -0.59 -3.66 117.38 112.96 1x4k n GLN 9 Ca 0.02 0.05 0.00 0.00 -1.94 0.00 0.00 57.00 55.13 1x4k n GLN 9 Cb 0.56 -1.35 0.00 0.00 0.11 0.00 0.00 30.24 29.56 1x4k n GLN 9 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 1x4k n GLU 10 N -2.79 0.00 -0.39 -1.09 0.00 -1.26 -3.58 120.64 111.53 1x4k n GLU 10 Ca -0.27 0.38 0.06 0.00 0.00 0.00 0.00 57.16 57.34 1x4k n GLU 10 Cb 0.88 -1.34 0.23 0.00 0.00 0.00 0.00 31.44 31.22 1x4k n GLU 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1x4k n LYS 12 N 0.68 -0.91 -4.16 0.00 4.76 -1.23 -4.90 118.16 112.39 1x4k n LYS 12 Ca 0.17 0.08 -0.23 0.00 -2.87 0.00 0.00 58.31 55.46 1x4k n LYS 12 Cb 0.60 -3.21 -0.06 0.00 -1.84 0.00 0.00 35.03 30.52 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 -6.60 2.42 -0.44 1.97 1.02 -1.26 -4.82 119.74 112.03 1x4k s LYS 13 Ca 0.15 -1.44 -0.29 0.00 0.02 0.00 0.00 55.97 54.41 1x4k s LYS 13 Cb -0.09 -2.22 0.01 0.00 -0.52 0.00 0.00 37.83 35.02 1x4k s LYS 13 CO 0.85 0.23 1.37 0.99 -0.92 0.00 0.00 175.35 177.87 1x4k s THR 14 N -2.35 3.94 -0.51 2.17 2.01 -1.26 -0.12 115.64 119.51 1x4k s THR 14 Ca 0.35 0.94 -0.28 0.00 0.31 0.00 0.00 61.69 63.01 1x4k s THR 14 Cb -0.05 -4.29 0.02 0.00 0.01 0.00 0.00 72.50 68.19 1x4k s THR 14 CO 0.22 -0.84 1.30 -0.63 -0.69 0.00 0.00 174.62 173.98 1x4k s ILE 15 N 5.36 3.96 0.66 1.82 1.01 -1.26 -4.93 121.20 127.82 1x4k s ILE 15 Ca 0.58 0.91 -0.18 0.00 0.00 0.00 0.00 60.65 61.97 1x4k s ILE 15 Cb -0.12 -4.49 -0.01 0.00 0.01 0.00 0.00 42.46 37.84 1x4k s ILE 15 CO 0.32 -1.08 1.16 0.23 0.00 0.00 0.00 174.94 175.57 1x4k n MET 16 N 8.29 0.93 0.00 2.79 2.81 -1.26 -4.74 117.12 125.94 1x4k n MET 16 Ca 0.12 0.37 0.07 0.00 -1.81 0.00 0.00 57.70 56.45 1x4k n MET 16 Cb 0.49 -2.39 0.31 0.00 -0.71 0.00 0.00 33.22 30.91 1x4k n MET 16 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1x4k n PRO 17 N -1.75 0.00 -0.01 0.03 -0.04 -1.26 -3.11 135.00 128.87 1x4k n PRO 17 Ca 0.15 0.25 -0.19 0.00 -0.04 0.00 0.00 63.50 63.67 1x4k n PRO 17 Cb 0.48 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.30 1x4k n PRO 17 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1x4k h GLY 18 N 2.46 0.21 -1.28 0.55 0.00 -2.02 -3.47 103.07 99.52 1x4k h GLY 18 Ca 0.00 -0.54 -0.51 0.00 0.00 0.00 0.00 47.33 46.29 1x4k h GLY 18 CO 0.00 0.47 0.36 -1.08 0.00 0.00 0.00 176.54 176.29 1x4k s THR 19 N -2.39 3.84 0.19 4.70 -1.32 -1.18 -5.03 115.64 114.45 1x4k s THR 19 Ca -0.18 0.60 -0.21 0.00 -1.21 0.00 0.00 61.69 60.69 1x4k s THR 19 Cb 0.01 -3.35 -0.08 0.00 -1.51 0.00 0.00 72.50 67.58 1x4k s THR 19 CO 0.76 -0.78 0.71 -0.13 -2.21 0.00 0.00 174.62 172.96 1x4k s ARG 20 N -5.07 4.30 0.10 7.08 1.81 -1.26 -4.87 118.95 121.05 1x4k s ARG 20 Ca 0.59 0.90 0.02 0.00 -1.72 0.00 0.00 55.73 55.52 1x4k s ARG 20 Cb -0.14 -3.01 -0.04 0.00 -0.45 0.00 0.00 34.95 31.31 1x4k s ARG 20 CO 0.55 0.46 -0.07 -1.59 -0.68 0.00 0.00 175.30 173.97 1x4k s LYS 21 N -1.70 0.85 -0.40 3.54 -2.85 -1.26 -1.46 119.74 116.47 1x4k s LYS 21 Ca 0.40 -1.31 -0.06 0.00 -1.00 0.00 0.00 55.97 54.00 1x4k s LYS 21 Cb -0.18 -0.30 0.08 0.00 -2.06 0.00 0.00 37.83 35.37 1x4k s LYS 21 CO 0.22 0.01 0.20 -1.64 0.10 0.00 0.00 175.35 174.24 1x4k s MET 22 N -3.60 2.43 -0.33 1.78 -1.94 0.74 -4.88 119.30 113.50 1x4k s MET 22 Ca 0.11 -1.51 -0.26 0.00 -1.71 0.00 0.00 55.69 52.32 1x4k s MET 22 Cb 0.03 -3.63 0.01 0.00 2.01 0.00 0.00 34.83 33.25 1x4k s MET 22 CO -0.03 -0.92 0.90 -1.21 -0.01 0.00 0.00 175.02 173.75 1x4k s GLU 23 N 1.33 3.95 -0.18 2.03 2.02 -1.26 -1.23 118.70 125.35 1x4k s GLU 23 Ca 0.03 0.71 -0.04 0.00 0.02 0.00 0.00 54.97 55.69 1x4k s GLU 23 Cb -0.22 -3.75 0.06 0.00 0.10 0.00 0.00 34.13 30.31 1x4k s GLU 23 CO 0.00 -0.82 0.06 -0.47 0.02 0.00 0.00 175.26 174.05 1x4k s TYR 24 N 3.29 0.69 -1.04 1.61 6.14 0.14 -4.84 117.35 123.33 1x4k s TYR 24 Ca 0.37 -0.64 -0.04 0.00 0.64 0.00 0.00 57.07 57.40 1x4k s TYR 24 Cb -0.13 -0.89 0.00 0.00 0.42 0.00 0.00 41.96 41.36 1x4k s TYR 24 CO 0.15 -0.57 0.89 1.63 0.64 0.00 0.00 175.55 178.29 1x4k n LYS 25 N 5.14 -5.98 0.00 4.97 5.02 -1.26 -2.47 118.16 123.57 1x4k n LYS 25 Ca -0.08 0.67 0.00 0.00 -2.02 0.00 0.00 58.31 56.88 1x4k n LYS 25 Cb 0.48 -5.22 0.00 0.00 -0.02 0.00 0.00 35.03 30.27 1x4k n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x4k n GLY 26 N -1.47 2.09 3.85 0.72 0.00 -1.26 -4.98 105.19 104.14 1x4k n GLY 26 Ca -0.09 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 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 0.11 5.36 0.08 1.61 0.01 -1.03 -5.02 113.70 114.82 1x4k s SER 27 Ca 0.00 1.35 0.04 0.00 1.31 0.00 0.00 55.95 58.65 1x4k s SER 27 Cb 0.00 -2.20 -0.03 0.00 0.21 0.00 0.00 66.02 63.99 1x4k s SER 27 CO 0.00 -1.42 -0.12 -0.44 0.41 0.00 0.00 173.24 171.67 1x4k s SER 28 N -4.08 1.55 -0.03 2.44 0.01 -1.24 0.23 113.70 112.58 1x4k s SER 28 Ca 0.58 -0.69 -0.00 0.00 1.31 0.00 0.00 55.95 57.15 1x4k s SER 28 Cb -0.13 -0.03 0.03 0.00 0.21 0.00 0.00 66.02 66.11 1x4k s SER 28 CO 0.54 -0.15 0.02 0.26 0.41 0.00 0.00 173.24 174.31 1x4k s TRP 29 N -1.72 0.24 0.25 2.43 0.51 -0.37 -1.55 118.94 118.73 1x4k s TRP 29 Ca 0.00 0.06 -0.29 0.00 -2.12 0.00 0.00 56.10 53.75 1x4k s TRP 29 Cb -0.07 -0.41 -0.15 0.00 -0.81 0.00 0.00 33.47 32.02 1x4k s TRP 29 CO 0.02 -0.15 0.97 0.72 -0.51 0.00 0.00 176.95 178.00 1x4k n HIS 30 N 4.41 1.01 -0.39 -1.98 8.25 -1.26 -0.18 115.22 125.07 1x4k n HIS 30 Ca -0.22 0.74 0.36 0.00 -0.26 0.00 0.00 57.72 58.34 1x4k n HIS 30 Cb 0.50 -2.21 0.55 0.00 1.12 0.00 0.00 29.99 29.95 1x4k n HIS 30 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 1x4k n GLU 31 N 1.00 0.01 -0.10 -0.41 0.28 -0.54 -0.76 120.64 120.12 1x4k n GLU 31 Ca 0.12 0.97 -0.16 0.00 -0.16 0.00 0.00 57.16 57.93 1x4k n GLU 31 Cb 0.29 -2.33 -0.06 0.00 1.43 0.00 0.00 31.44 30.77 1x4k n GLU 31 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1x4k n THR 32 N -3.38 1.50 0.17 3.84 -2.24 -1.26 -4.31 114.28 108.59 1x4k n THR 32 Ca 0.30 -0.03 0.12 0.00 -2.27 0.00 0.00 64.05 62.17 1x4k n THR 32 Cb 1.61 -2.18 0.33 0.00 -2.10 0.00 0.00 70.33 67.99 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 -2.88 0.26 -0.48 0.00 7.35 -0.32 -4.86 117.46 116.53 1x4k n PHE 34 Ca 0.06 -0.16 -0.23 0.00 -0.76 0.00 0.00 57.45 56.36 1x4k n PHE 34 Cb 1.00 -0.17 0.19 0.00 0.35 0.00 0.00 39.48 40.84 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 0.11 0.00 -1.92 -2.13 -6.64 0.37 -4.34 119.36 104.80 1x4k n ILE 35 Ca 0.04 -0.09 -0.30 0.00 -1.77 0.00 0.00 62.75 60.63 1x4k n ILE 35 Cb 0.40 -0.63 0.05 0.00 -1.44 0.00 0.00 39.64 38.02 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 -3.02 0.00 -0.04 0.00 8.25 -0.27 -3.14 115.22 117.00 1x4k n HIS 37 Ca 0.07 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.43 1x4k n HIS 37 Cb 0.58 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.66 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 -0.75 0.25 0.00 -0.41 0.63 -1.26 -4.71 116.66 110.40 1x4k n ARG 38 Ca 0.06 0.11 0.11 0.00 -0.92 0.00 0.00 57.85 57.21 1x4k n ARG 38 Cb 0.38 -0.92 0.10 0.00 0.45 0.00 0.00 32.46 32.47 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 -1.54 -6.05 -4.61 0.00 3.00 -1.19 -4.91 117.38 102.09 1x4k n GLN 40 Ca 0.05 0.68 -0.30 0.00 -0.01 0.00 0.00 57.00 57.42 1x4k n GLN 40 Cb 0.34 -5.54 -0.13 0.00 0.00 0.00 0.00 30.24 24.91 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 -6.24 1.92 -1.00 -1.09 -1.52 -1.26 -4.60 119.66 105.86 1x4k s GLN 41 Ca 0.40 -1.07 -0.24 0.00 -1.95 0.00 0.00 55.36 52.50 1x4k s GLN 41 Cb -0.19 -2.12 -0.06 0.00 -0.22 0.00 0.00 33.01 30.42 1x4k s GLN 41 CO 0.79 0.52 1.94 -1.25 -0.25 0.00 0.00 175.29 177.04 1x4k s PRO 42 N -1.59 2.54 0.13 2.91 0.04 -1.26 0.46 135.00 138.23 1x4k s PRO 42 Ca 0.15 -0.61 -0.27 0.00 0.04 0.00 0.00 61.00 60.31 1x4k s PRO 42 Cb -0.10 -5.13 -0.03 0.00 0.04 0.00 0.00 34.50 29.28 1x4k s PRO 42 CO 0.06 -3.58 1.60 0.82 0.04 0.00 0.00 177.00 175.94 1x4k h ILE 43 N 6.87 0.24 0.00 0.56 2.04 -1.85 -3.47 117.51 121.91 1x4k h ILE 43 Ca 0.14 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.00 1x4k h ILE 43 Cb 0.98 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 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 -1.42 2.16 2.94 5.37 0.00 -1.26 -4.34 105.19 108.64 1x4k n GLY 44 Ca -0.03 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.34 1x4k n GLY 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x4k s THR 45 N 0.00 2.75 0.31 2.61 -4.23 -1.26 -5.06 115.64 110.76 1x4k s THR 45 Ca 0.00 -3.65 -0.19 0.00 -1.18 0.00 0.00 61.69 56.66 1x4k s THR 45 Cb 0.00 -2.86 0.04 0.00 1.34 0.00 0.00 72.50 71.01 1x4k s THR 45 CO 0.00 -0.88 0.77 -1.59 -0.54 0.00 0.00 174.62 172.38 1x4k s LYS 46 N -0.70 1.91 -0.62 3.99 -2.85 -1.26 -5.09 119.74 115.11 1x4k s LYS 46 Ca 0.20 -1.13 -0.28 0.00 -1.00 0.00 0.00 55.97 53.76 1x4k s LYS 46 Cb -0.18 0.60 -0.12 0.00 -2.06 0.00 0.00 37.83 36.07 1x4k s LYS 46 CO -0.06 -0.88 2.48 0.45 0.10 0.00 0.00 175.35 177.44 1x4k n SER 47 N -0.83 1.74 -3.85 0.03 2.88 -1.26 -4.89 113.62 107.44 1x4k n SER 47 Ca -0.06 -0.24 -0.12 0.00 -1.33 0.00 0.00 58.87 57.12 1x4k n SER 47 Cb 0.59 -1.37 -0.11 0.00 -0.75 0.00 0.00 64.21 62.57 1x4k n SER 47 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1x4k s PHE 48 N 10.95 -0.06 -0.48 0.66 -0.71 -1.26 -3.64 117.98 123.43 1x4k s PHE 48 Ca 1.10 0.14 -0.16 0.00 -1.04 0.00 0.00 56.93 56.97 1x4k s PHE 48 Cb -0.53 0.00 0.08 0.00 -1.21 0.00 0.00 43.02 41.36 1x4k s PHE 48 CO 0.34 -0.17 0.44 0.42 -1.34 0.00 0.00 175.22 174.91 1x4k s ILE 49 N -0.59 5.19 -0.15 -4.49 1.09 0.38 -4.93 121.20 117.70 1x4k s ILE 49 Ca -0.07 -1.04 -0.29 0.00 -1.10 0.00 0.00 60.65 58.15 1x4k s ILE 49 Cb -0.04 -4.17 -0.03 0.00 -1.06 0.00 0.00 42.46 37.15 1x4k s ILE 49 CO 0.01 -0.64 1.56 -2.16 -0.10 0.00 0.00 174.94 173.61 1x4k s PRO 50 N 1.77 4.02 0.43 2.79 0.04 -1.26 -2.20 135.00 140.59 1x4k s PRO 50 Ca 0.05 1.85 -0.13 0.00 0.04 0.00 0.00 61.00 62.81 1x4k s PRO 50 Cb -0.24 -3.96 -0.07 0.00 0.04 0.00 0.00 34.50 30.26 1x4k s PRO 50 CO 0.07 -1.02 0.84 0.21 0.04 0.00 0.00 177.00 177.14 1x4k s LYS 51 N 4.21 3.88 0.03 4.56 2.47 0.21 -4.96 119.74 130.14 1x4k s LYS 51 Ca 0.69 0.68 -0.05 0.00 -1.56 0.00 0.00 55.97 55.72 1x4k s LYS 51 Cb -0.27 -2.31 -0.01 0.00 -1.46 0.00 0.00 37.83 33.78 1x4k s LYS 51 CO 0.26 -0.08 0.74 -0.25 0.16 0.00 0.00 175.35 176.18 1x4k n ASP 52 N -1.22 -0.17 -0.57 1.43 8.00 -1.26 -1.83 116.55 120.93 1x4k n ASP 52 Ca 0.04 0.78 0.06 0.00 0.71 0.00 0.00 54.79 56.38 1x4k n ASP 52 Cb 0.54 -0.28 0.20 0.00 -0.02 0.00 0.00 41.12 41.56 1x4k n ASP 52 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1x4k n ASN 53 N -3.20 1.89 -2.61 -2.24 0.23 -1.26 -5.04 115.26 103.04 1x4k n ASN 53 Ca 0.00 -3.76 -0.10 0.00 -0.53 0.00 0.00 54.58 50.19 1x4k n ASN 53 Cb 0.04 -0.52 -0.00 0.00 -2.08 0.00 0.00 39.78 37.21 1x4k n ASN 53 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1x4k n GLN 54 N -1.16 0.75 -3.77 -3.83 6.02 -0.76 -5.17 117.38 109.46 1x4k n GLN 54 Ca 0.20 -2.16 -0.15 0.00 -0.01 0.00 0.00 57.00 54.88 1x4k n GLN 54 Cb 0.71 2.31 -0.16 0.00 1.02 0.00 0.00 30.24 34.13 1x4k n GLN 54 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1x4k s ASN 55 N -2.80 0.02 -0.01 1.08 0.01 -1.26 0.65 114.94 112.62 1x4k s ASN 55 Ca 0.20 0.11 0.00 0.00 -0.71 0.00 0.00 52.86 52.46 1x4k s ASN 55 Cb -0.02 0.00 0.02 0.00 0.41 0.00 0.00 41.25 41.65 1x4k s ASN 55 CO 0.14 -0.13 0.00 -0.36 -1.51 0.00 0.00 177.10 175.25 1x4k s PHE 56 N 1.06 0.14 1.01 2.20 0.40 -0.93 -1.11 117.98 120.75 1x4k s PHE 56 Ca -0.09 0.03 -0.17 0.00 -0.60 0.00 0.00 56.93 56.10 1x4k s PHE 56 Cb -0.12 -0.21 0.26 0.00 0.51 0.00 0.00 43.02 43.46 1x4k s PHE 56 CO -0.04 -0.06 0.73 0.00 0.70 0.00 0.00 175.22 176.55 1x4k h VAL 58 N -2.84 1.01 0.00 0.00 2.07 -1.92 0.21 116.25 114.78 1x4k h VAL 58 Ca -0.30 -0.63 -0.08 0.00 0.82 0.00 0.00 66.70 66.51 1x4k h VAL 58 Cb 0.97 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 1x4k h VAL 58 CO 0.19 0.15 -0.37 1.55 0.02 0.00 0.00 177.57 179.11 1x4k h PRO 59 N -0.48 0.00 0.00 1.57 0.13 -1.92 -2.49 132.00 128.80 1x4k h PRO 59 Ca -0.02 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1x4k h PRO 59 Cb 0.38 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.51 1x4k h PRO 59 CO 0.03 0.37 -0.02 0.00 -0.23 0.00 0.00 178.00 178.15 1x4k h TYR 61 N -1.00 -0.23 -0.85 0.00 3.20 -0.64 -1.69 116.97 115.75 1x4k h TYR 61 Ca -0.00 0.03 0.22 0.00 3.14 0.00 0.00 58.73 62.11 1x4k h TYR 61 Cb 0.62 0.15 -0.14 0.00 1.54 0.00 0.00 36.73 38.90 1x4k h TYR 61 CO 0.17 -0.16 0.23 0.93 -1.64 0.00 0.00 178.16 177.68 1x4k h GLU 62 N -0.05 0.22 -0.95 1.82 4.39 -1.60 0.46 114.58 118.87 1x4k h GLU 62 Ca 0.14 -0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.88 1x4k h GLU 62 Cb 0.26 -0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.80 1x4k h GLU 62 CO -0.31 0.15 0.62 0.87 -1.16 0.00 0.00 179.01 179.18 1x4k h LYS 63 N 0.23 1.10 -0.60 2.33 1.57 -1.38 0.27 116.57 120.09 1x4k h LYS 63 Ca 0.53 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 59.17 1x4k h LYS 63 Cb 1.03 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 1x4k h LYS 63 CO -0.63 0.73 0.12 1.96 -0.57 0.00 0.00 179.45 181.06 1x4k h GLN 64 N 1.13 0.98 -1.08 3.15 1.08 0.07 -3.09 115.11 117.36 1x4k h GLN 64 Ca 0.40 -0.25 -0.62 0.00 -1.45 0.00 0.00 58.65 56.72 1x4k h GLN 64 Cb 0.12 -0.12 -0.36 0.00 -0.05 0.00 0.00 27.48 27.06 1x4k h GLN 64 CO -0.14 0.91 -0.02 -2.39 -0.95 0.00 0.00 178.83 176.24 1x4k n HIS 65 N -4.32 3.03 -4.32 2.96 1.44 -0.74 -5.00 115.22 108.27 1x4k n HIS 65 Ca 0.03 -2.63 -0.20 0.00 -2.01 0.00 0.00 57.72 52.91 1x4k n HIS 65 Cb 0.26 -0.78 -0.11 0.00 0.12 0.00 0.00 29.99 29.48 1x4k n HIS 65 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1x4k s ALA 66 N -3.72 1.93 -0.73 1.59 0.00 0.89 -4.93 121.76 116.79 1x4k s ALA 66 Ca 0.55 -1.50 -0.22 0.00 0.00 0.00 0.00 51.96 50.80 1x4k s ALA 66 Cb 0.45 -0.14 -0.17 0.00 0.00 0.00 0.00 23.12 23.26 1x4k s ALA 66 CO -0.06 0.17 1.95 0.45 0.00 0.00 0.00 175.76 178.27 1x4k n SER 67 N 0.16 0.13 -2.65 0.00 2.88 -1.26 -4.70 113.62 108.18 1x4k n SER 67 Ca -0.12 0.10 -0.02 0.00 -1.33 0.00 0.00 58.87 57.50 1x4k n SER 67 Cb 0.58 -0.65 0.03 0.00 -0.75 0.00 0.00 64.21 63.42 1x4k n SER 67 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x4k s GLY 68 N 6.17 -1.99 0.00 0.46 0.00 -1.26 -5.01 107.32 105.69 1x4k s GLY 68 Ca 0.99 0.98 0.14 0.00 0.00 0.00 0.00 44.72 46.83 1x4k s GLY 68 CO 0.36 4.47 1.45 -1.55 0.00 0.00 0.00 173.10 177.83 1x4k n PRO 69 N 2.71 0.03 -3.04 2.90 -0.04 -1.26 -4.65 135.00 131.65 1x4k n PRO 69 Ca 0.09 0.24 -0.41 0.00 -0.04 0.00 0.00 63.50 63.38 1x4k n PRO 69 Cb 0.67 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.57 1x4k n PRO 69 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x4k s SER 70 N -2.93 6.63 -0.30 3.54 0.01 -1.26 -5.02 113.70 114.38 1x4k s SER 70 Ca 0.08 0.73 -0.11 0.00 1.31 0.00 0.00 55.95 57.96 1x4k s SER 70 Cb 0.09 -2.37 0.12 0.00 0.21 0.00 0.00 66.02 64.08 1x4k s SER 70 CO 0.25 -0.45 0.67 -0.44 0.41 0.00 0.00 173.24 173.69 1x4k s SER 71 N 1.49 -1.08 0.00 2.44 0.01 -1.26 -5.19 113.70 110.10 1x4k s SER 71 Ca 0.29 1.53 0.00 0.00 1.31 0.00 0.00 55.95 59.08 1x4k s SER 71 Cb -0.15 2.09 0.00 0.00 0.21 0.00 0.00 66.02 68.17 1x4k s SER 71 CO 0.09 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.13