#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 1.33 -4.44 1.61 7.64 -1.26 -4.97 113.62 113.53 1x4k n SER 2 Ca 0.00 0.38 -0.33 0.00 1.01 0.00 0.00 58.87 59.93 1x4k n SER 2 Cb 0.00 -0.72 -0.13 0.00 -1.01 0.00 0.00 64.21 62.35 1x4k n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x4k s SER 3 N -5.22 4.11 0.00 6.43 0.01 -1.26 -5.09 113.70 112.68 1x4k s SER 3 Ca -0.15 -0.23 0.00 0.00 1.31 0.00 0.00 55.95 56.87 1x4k s SER 3 Cb 0.02 -1.25 0.00 0.00 0.21 0.00 0.00 66.02 65.00 1x4k s SER 3 CO 0.23 0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.75 1x4k n GLY 4 N 2.88 3.27 2.70 3.44 0.00 -1.26 -5.15 105.19 111.08 1x4k n GLY 4 Ca -0.18 -0.27 -0.24 0.00 0.00 0.00 0.00 46.02 45.34 1x4k n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4k s SER 5 N 0.00 1.92 -0.10 1.61 1.04 -1.26 -5.04 113.70 111.87 1x4k s SER 5 Ca 0.00 -0.32 -0.03 0.00 0.48 0.00 0.00 55.95 56.08 1x4k s SER 5 Cb 0.00 -0.36 -0.01 0.00 0.10 0.00 0.00 66.02 65.75 1x4k s SER 5 CO 0.00 -0.27 -0.06 -1.28 0.98 0.00 0.00 173.24 172.62 1x4k h SER 6 N 8.36 0.00 -3.97 7.02 0.87 -1.99 -3.51 113.55 120.33 1x4k h SER 6 Ca -0.16 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 1x4k h SER 6 Cb 1.13 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 1x4k h SER 6 CO 0.26 0.51 -0.04 0.61 -0.53 0.00 0.00 176.83 177.63 1x4k n GLY 7 N 1.75 -3.41 3.77 5.77 0.00 -1.26 -4.86 105.19 106.94 1x4k n GLY 7 Ca -0.02 -0.94 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 1x4k n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x4k n GLN 9 N -3.56 1.09 0.00 0.00 3.00 -0.77 -3.60 117.38 113.54 1x4k n GLN 9 Ca 0.08 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 1x4k n GLN 9 Cb 0.54 -1.33 0.00 0.00 0.00 0.00 0.00 30.24 29.46 1x4k n GLN 9 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 1x4k n GLU 10 N -2.75 0.00 -0.06 -1.09 4.07 -1.26 -3.49 120.64 116.06 1x4k n GLU 10 Ca -0.25 0.48 0.12 0.00 -0.06 0.00 0.00 57.16 57.44 1x4k n GLU 10 Cb 0.85 -1.47 0.39 0.00 -0.06 0.00 0.00 31.44 31.16 1x4k n GLU 10 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1x4k n LYS 12 N 0.40 -4.00 -4.95 0.00 4.76 -1.23 -4.97 118.16 108.18 1x4k n LYS 12 Ca 0.17 0.48 -0.31 0.00 -2.87 0.00 0.00 58.31 55.78 1x4k n LYS 12 Cb 0.36 -4.95 -0.14 0.00 -1.84 0.00 0.00 35.03 28.46 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 -6.54 2.07 -0.08 1.97 -0.14 -1.25 -4.82 119.74 110.95 1x4k s LYS 13 Ca 0.28 -0.96 -0.31 0.00 -1.36 0.00 0.00 55.97 53.62 1x4k s LYS 13 Cb -0.15 -2.11 -0.09 0.00 -1.68 0.00 0.00 37.83 33.80 1x4k s LYS 13 CO 0.87 0.55 2.03 2.41 -0.76 0.00 0.00 175.35 180.45 1x4k n THR 14 N 1.98 0.59 -2.47 2.17 -1.04 -1.26 -0.06 114.28 114.19 1x4k n THR 14 Ca -0.16 -0.21 -0.40 0.00 -2.04 0.00 0.00 64.05 61.23 1x4k n THR 14 Cb 0.52 -2.22 -0.03 0.00 -1.82 0.00 0.00 70.33 66.77 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 5.47 3.72 0.45 12.58 1.01 -1.26 -4.85 121.20 138.32 1x4k s ILE 15 Ca 0.94 0.01 -0.21 0.00 0.00 0.00 0.00 60.65 61.40 1x4k s ILE 15 Cb -0.51 -4.80 -0.14 0.00 0.01 0.00 0.00 42.46 37.03 1x4k s ILE 15 CO 0.43 -1.73 0.27 0.23 0.00 0.00 0.00 174.94 174.15 1x4k n MET 16 N 9.19 0.26 0.19 2.79 2.81 -1.26 -4.76 117.12 126.34 1x4k n MET 16 Ca 0.15 0.10 0.14 0.00 -1.81 0.00 0.00 57.70 56.28 1x4k n MET 16 Cb 0.50 -1.27 0.58 0.00 -0.71 0.00 0.00 33.22 32.32 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 0.42 0.00 -1.59 0.03 0.13 -1.98 -3.19 132.00 125.83 1x4k h PRO 17 Ca -0.40 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.26 1x4k h PRO 17 Cb 1.42 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.37 1x4k h PRO 17 CO 0.48 0.00 0.54 0.41 -0.23 0.00 0.00 178.00 179.20 1x4k n GLY 18 N -0.03 4.60 3.51 1.56 0.00 -1.26 -4.87 105.19 108.70 1x4k n GLY 18 Ca 0.01 -1.63 -0.16 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.95 0.00 0.07 2.61 -1.32 -1.21 -5.15 115.64 107.69 1x4k s THR 19 Ca 0.46 0.00 -0.27 0.00 -1.21 0.00 0.00 61.69 60.67 1x4k s THR 19 Cb 0.34 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 70.28 1x4k s THR 19 CO -0.09 0.00 0.87 0.00 -2.21 0.00 0.00 174.62 173.18 1x4k s ARG 20 N -1.64 4.59 0.30 7.08 1.70 -1.26 -4.95 118.95 124.77 1x4k s ARG 20 Ca -0.07 1.26 0.06 0.00 -0.47 0.00 0.00 55.73 56.50 1x4k s ARG 20 Cb -0.00 -3.38 -0.06 0.00 -0.57 0.00 0.00 34.95 30.94 1x4k s ARG 20 CO 0.05 0.23 -0.01 -1.59 -1.08 0.00 0.00 175.30 172.90 1x4k s LYS 21 N 0.03 1.60 -0.25 3.89 -2.85 -1.26 -3.10 119.74 117.79 1x4k s LYS 21 Ca 0.43 -1.85 -0.02 0.00 -1.00 0.00 0.00 55.97 53.53 1x4k s LYS 21 Cb -0.22 -1.07 0.02 0.00 -2.06 0.00 0.00 37.83 34.51 1x4k s LYS 21 CO 0.26 -0.05 -0.04 -1.64 0.10 0.00 0.00 175.35 173.98 1x4k s MET 22 N -3.79 2.86 -0.30 1.78 -1.94 -0.73 -4.92 119.30 112.25 1x4k s MET 22 Ca 0.32 -0.97 -0.21 0.00 -1.71 0.00 0.00 55.69 53.12 1x4k s MET 22 Cb 0.06 -3.03 -0.01 0.00 2.01 0.00 0.00 34.83 33.86 1x4k s MET 22 CO 0.13 -0.41 0.65 -1.21 -0.01 0.00 0.00 175.02 174.18 1x4k s GLU 23 N 1.34 3.92 -0.27 2.03 2.02 -1.26 -1.27 118.70 125.20 1x4k s GLU 23 Ca 0.00 0.35 -0.01 0.00 0.02 0.00 0.00 54.97 55.33 1x4k s GLU 23 Cb -0.17 -3.72 0.09 0.00 0.10 0.00 0.00 34.13 30.42 1x4k s GLU 23 CO -0.04 -0.58 0.07 -0.47 0.02 0.00 0.00 175.26 174.27 1x4k s TYR 24 N 2.66 1.47 -1.01 1.61 6.14 0.11 -4.84 117.35 123.48 1x4k s TYR 24 Ca 0.26 -1.44 -0.00 0.00 0.64 0.00 0.00 57.07 56.53 1x4k s TYR 24 Cb -0.15 -1.46 0.00 0.00 0.42 0.00 0.00 41.96 40.77 1x4k s TYR 24 CO 0.12 -0.80 0.85 1.63 0.64 0.00 0.00 175.55 177.99 1x4k n LYS 25 N 4.92 -5.62 0.00 4.97 5.02 -1.26 -2.58 118.16 123.60 1x4k n LYS 25 Ca -0.05 0.71 0.00 0.00 -2.02 0.00 0.00 58.31 56.95 1x4k n LYS 25 Cb 0.43 -5.33 0.00 0.00 -0.02 0.00 0.00 35.03 30.12 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 -1.15 1.52 3.82 0.72 0.00 -1.26 -4.96 105.19 103.88 1x4k n GLY 26 Ca -0.23 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 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 5.87 0.20 1.61 0.01 -1.07 -5.03 113.70 115.29 1x4k s SER 27 Ca 0.00 1.70 0.11 0.00 1.31 0.00 0.00 55.95 59.07 1x4k s SER 27 Cb 0.00 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.67 1x4k s SER 27 CO 0.00 -1.11 -0.23 -0.94 0.41 0.00 0.00 173.24 171.37 1x4k s SER 28 N -3.16 3.39 -0.06 2.44 1.04 -1.26 0.08 113.70 116.17 1x4k s SER 28 Ca 0.61 -0.89 -0.02 0.00 0.48 0.00 0.00 55.95 56.12 1x4k s SER 28 Cb -0.14 -0.25 0.04 0.00 0.10 0.00 0.00 66.02 65.77 1x4k s SER 28 CO 0.41 0.09 0.11 0.26 0.98 0.00 0.00 173.24 175.10 1x4k s TRP 29 N -1.84 -0.09 0.28 5.02 0.51 -0.40 -1.85 118.94 120.57 1x4k s TRP 29 Ca 0.22 0.42 -0.27 0.00 -2.12 0.00 0.00 56.10 54.35 1x4k s TRP 29 Cb -0.07 -0.24 -0.15 0.00 -0.81 0.00 0.00 33.47 32.19 1x4k s TRP 29 CO 0.10 -0.19 0.68 0.72 -0.51 0.00 0.00 176.95 177.75 1x4k n HIS 30 N 4.78 0.07 -0.17 -1.98 8.25 -1.26 -1.78 115.22 123.13 1x4k n HIS 30 Ca -0.15 0.79 0.26 0.00 -0.26 0.00 0.00 57.72 58.36 1x4k n HIS 30 Cb 0.50 -2.06 0.43 0.00 1.12 0.00 0.00 29.99 29.98 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 1.29 0.00 0.00 -0.41 4.11 -1.90 -0.49 114.58 117.19 1x4k h GLU 31 Ca -0.35 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 58.89 1x4k h GLU 31 Cb 1.40 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.62 1x4k h GLU 31 CO 0.57 0.00 -1.61 0.25 0.07 0.00 0.00 179.01 178.29 1x4k n THR 32 N -3.22 1.48 0.03 -1.06 -2.24 -1.26 -4.39 114.28 103.61 1x4k n THR 32 Ca 0.21 -0.07 0.17 0.00 -2.27 0.00 0.00 64.05 62.09 1x4k n THR 32 Cb 1.46 -2.12 0.33 0.00 -2.10 0.00 0.00 70.33 67.90 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 -3.00 0.17 -0.46 0.00 7.35 -0.52 -4.86 117.46 116.14 1x4k n PHE 34 Ca 0.13 -0.15 -0.23 0.00 -0.76 0.00 0.00 57.45 56.44 1x4k n PHE 34 Cb 1.22 -0.16 0.19 0.00 0.35 0.00 0.00 39.48 41.08 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 0.44 -4.37 119.36 104.84 1x4k n ILE 35 Ca 0.02 -0.07 -0.30 0.00 -1.77 0.00 0.00 62.75 60.64 1x4k n ILE 35 Cb 0.37 -0.64 0.05 0.00 -1.44 0.00 0.00 39.64 37.97 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 -3.01 0.03 -0.02 0.00 8.25 -0.49 -3.24 115.22 116.75 1x4k n HIS 37 Ca 0.07 0.01 -0.03 0.00 -0.26 0.00 0.00 57.72 57.50 1x4k n HIS 37 Cb 0.58 -0.13 -0.01 0.00 1.12 0.00 0.00 29.99 31.55 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 -1.58 0.19 0.00 -0.41 0.63 -1.26 -4.69 116.66 109.54 1x4k n ARG 38 Ca 0.04 0.08 0.14 0.00 -0.92 0.00 0.00 57.85 57.18 1x4k n ARG 38 Cb 0.35 -0.76 0.57 0.00 0.45 0.00 0.00 32.46 33.07 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 -1.32 -4.68 -4.55 0.00 1.13 -1.20 -4.91 117.38 101.86 1x4k n GLN 40 Ca 0.10 0.54 -0.30 0.00 -1.94 0.00 0.00 57.00 55.41 1x4k n GLN 40 Cb 0.31 -5.19 -0.13 0.00 0.11 0.00 0.00 30.24 25.34 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 -6.46 1.71 -0.94 -1.09 -0.21 -1.26 -4.59 119.66 106.81 1x4k s GLN 41 Ca 0.37 -1.18 -0.24 0.00 0.02 0.00 0.00 55.36 54.32 1x4k s GLN 41 Cb -0.19 -2.02 -0.05 0.00 1.00 0.00 0.00 33.01 31.75 1x4k s GLN 41 CO 0.85 0.49 1.95 -1.25 -2.12 0.00 0.00 175.29 175.20 1x4k s PRO 42 N -1.76 2.54 0.07 2.91 0.04 -1.26 0.51 135.00 138.05 1x4k s PRO 42 Ca 0.14 -0.42 -0.18 0.00 0.04 0.00 0.00 61.00 60.58 1x4k s PRO 42 Cb -0.10 -5.09 -0.06 0.00 0.04 0.00 0.00 34.50 29.29 1x4k s PRO 42 CO 0.06 -3.47 1.30 0.82 0.04 0.00 0.00 177.00 175.75 1x4k h ILE 43 N 7.10 0.00 0.00 0.56 2.04 -1.87 -3.46 117.51 121.88 1x4k h ILE 43 Ca 0.11 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.97 1x4k h ILE 43 Cb 1.00 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1x4k h ILE 43 CO 1.21 0.00 0.00 0.61 0.00 0.00 0.00 178.15 179.97 1x4k n GLY 44 N -1.22 1.21 0.00 5.37 0.00 -1.26 -3.95 105.19 105.34 1x4k n GLY 44 Ca -0.02 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 0.00 -1.04 2.61 -2.24 -1.26 -5.06 114.28 107.29 1x4k n THR 45 Ca 0.00 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.37 1x4k n THR 45 Cb 0.00 -0.77 -0.06 0.00 -2.10 0.00 0.00 70.33 67.40 1x4k n THR 45 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1x4k n LYS 46 N -1.93 0.00 -1.50 -0.78 5.02 -1.25 -4.52 118.16 113.20 1x4k n LYS 46 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 1x4k n LYS 46 Cb 0.43 -1.00 -0.10 0.00 -0.02 0.00 0.00 35.03 34.35 1x4k n LYS 46 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1x4k n SER 47 N 1.40 1.25 -4.50 4.39 7.64 -1.26 -4.90 113.62 117.64 1x4k n SER 47 Ca 0.15 -0.01 -0.27 0.00 1.01 0.00 0.00 58.87 59.76 1x4k n SER 47 Cb 0.03 -1.19 -0.10 0.00 -1.01 0.00 0.00 64.21 61.93 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 9.78 2.46 -0.49 1.43 -0.12 -1.26 -4.08 117.98 125.70 1x4k s PHE 48 Ca 1.19 -0.29 -0.18 0.00 -0.05 0.00 0.00 56.93 57.60 1x4k s PHE 48 Cb -0.84 -1.20 0.06 0.00 -0.63 0.00 0.00 43.02 40.41 1x4k s PHE 48 CO 0.42 0.52 0.54 0.42 -0.05 0.00 0.00 175.22 177.07 1x4k s ILE 49 N -1.75 5.00 -0.11 -4.49 1.09 0.16 -4.97 121.20 116.13 1x4k s ILE 49 Ca 0.23 -0.64 -0.29 0.00 -1.10 0.00 0.00 60.65 58.85 1x4k s ILE 49 Cb -0.08 -4.23 -0.04 0.00 -1.06 0.00 0.00 42.46 37.05 1x4k s ILE 49 CO 0.13 -0.71 1.54 -2.16 -0.10 0.00 0.00 174.94 173.64 1x4k s PRO 50 N 2.31 4.14 0.39 2.79 0.04 -1.26 -2.37 135.00 141.04 1x4k s PRO 50 Ca 0.12 1.96 -0.11 0.00 0.04 0.00 0.00 61.00 63.01 1x4k s PRO 50 Cb -0.20 -3.93 -0.07 0.00 0.04 0.00 0.00 34.50 30.34 1x4k s PRO 50 CO 0.11 -0.87 0.76 0.21 0.04 0.00 0.00 177.00 177.25 1x4k s LYS 51 N 3.97 3.79 0.03 4.56 2.47 0.47 -4.96 119.74 130.07 1x4k s LYS 51 Ca 0.68 0.47 -0.05 0.00 -1.56 0.00 0.00 55.97 55.51 1x4k s LYS 51 Cb -0.29 -2.40 -0.01 0.00 -1.46 0.00 0.00 37.83 33.67 1x4k s LYS 51 CO 0.25 -0.01 0.74 -0.25 0.16 0.00 0.00 175.35 176.24 1x4k n ASP 52 N -1.20 -0.18 -0.53 1.43 8.00 -1.26 -1.84 116.55 120.98 1x4k n ASP 52 Ca 0.02 0.78 0.06 0.00 0.71 0.00 0.00 54.79 56.37 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 0.59 -0.39 0.00 0.00 177.20 177.40 1x4k n ASN 53 N -3.22 1.91 -3.28 -2.24 4.13 -1.26 -5.04 115.26 106.26 1x4k n ASN 53 Ca 0.00 -3.72 -0.10 0.00 1.68 0.00 0.00 54.58 52.44 1x4k n ASN 53 Cb 0.04 -0.52 -0.01 0.00 -1.54 0.00 0.00 39.78 37.76 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 -3.16 1.99 -0.02 3.52 -0.21 -0.76 -5.17 119.66 115.84 1x4k s GLN 54 Ca 0.37 -1.46 0.01 0.00 0.02 0.00 0.00 55.36 54.30 1x4k s GLN 54 Cb 0.35 0.55 0.02 0.00 1.00 0.00 0.00 33.01 34.93 1x4k s GLN 54 CO -0.04 -0.89 -0.01 -0.80 -2.12 0.00 0.00 175.29 171.42 1x4k s ASN 55 N -3.10 0.42 -0.00 5.90 0.01 -1.26 0.18 114.94 117.09 1x4k s ASN 55 Ca 0.20 -0.04 0.00 0.00 -0.71 0.00 0.00 52.86 52.31 1x4k s ASN 55 Cb -0.03 -0.17 -0.00 0.00 0.41 0.00 0.00 41.25 41.46 1x4k s ASN 55 CO 0.13 -0.05 -0.01 -0.36 -1.51 0.00 0.00 177.10 175.31 1x4k s PHE 56 N 0.64 0.05 0.79 2.20 0.08 -1.00 -1.40 117.98 119.35 1x4k s PHE 56 Ca -0.06 -0.02 -0.13 0.00 0.12 0.00 0.00 56.93 56.83 1x4k s PHE 56 Cb -0.10 -0.03 0.20 0.00 -0.57 0.00 0.00 43.02 42.52 1x4k s PHE 56 CO -0.01 -0.00 0.70 0.00 -0.10 0.00 0.00 175.22 175.81 1x4k h VAL 58 N -2.31 1.25 0.00 0.00 2.07 -1.94 0.29 116.25 115.61 1x4k h VAL 58 Ca -0.26 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.45 1x4k h VAL 58 Cb 0.81 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 1x4k h VAL 58 CO 0.17 0.21 0.00 1.55 0.02 0.00 0.00 177.57 179.52 1x4k h PRO 59 N -0.37 0.00 0.00 1.57 0.13 -1.93 -2.58 132.00 128.83 1x4k h PRO 59 Ca -0.00 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.97 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 0.00 0.00 -1.25 0.00 -0.23 0.00 0.00 178.00 176.52 1x4k h TYR 61 N -1.00 -0.71 -0.89 0.00 3.20 -0.48 0.18 116.97 117.27 1x4k h TYR 61 Ca -0.24 0.03 0.24 0.00 3.14 0.00 0.00 58.73 61.90 1x4k h TYR 61 Cb 1.06 0.32 -0.15 0.00 1.54 0.00 0.00 36.73 39.51 1x4k h TYR 61 CO -0.15 -0.35 0.20 0.93 -1.64 0.00 0.00 178.16 177.14 1x4k h GLU 62 N -0.38 0.15 0.04 1.82 4.39 -1.65 0.17 114.58 119.12 1x4k h GLU 62 Ca 0.08 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 1x4k h GLU 62 Cb 0.49 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1x4k h GLU 62 CO -0.27 0.10 -0.02 0.87 -1.16 0.00 0.00 179.01 178.54 1x4k h LYS 63 N 0.16 -0.05 -0.75 2.33 1.57 -1.48 -1.94 116.57 116.41 1x4k h LYS 63 Ca 0.56 0.00 0.17 0.00 -1.87 0.00 0.00 60.65 59.51 1x4k h LYS 63 Cb 1.15 0.01 -0.12 0.00 0.08 0.00 0.00 32.23 33.36 1x4k h LYS 63 CO -0.70 0.54 0.17 0.37 -0.57 0.00 0.00 179.45 179.25 1x4k h GLN 64 N -0.67 0.24 -0.04 3.15 5.75 0.90 -1.51 115.11 122.93 1x4k h GLN 64 Ca -0.00 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 1x4k h GLN 64 Cb 0.60 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 29.10 1x4k h GLN 64 CO 0.01 0.16 -0.02 1.25 -2.65 0.00 0.00 178.83 177.58 1x4k h HIS 65 N 0.25 0.09 -4.18 3.99 2.76 -0.78 -3.45 115.15 113.82 1x4k h HIS 65 Ca 0.43 -0.02 -0.53 0.00 -2.20 0.00 0.00 60.37 58.04 1x4k h HIS 65 Cb 0.75 -0.02 0.19 0.00 1.55 0.00 0.00 27.41 29.88 1x4k h HIS 65 CO -0.28 0.48 0.28 0.00 -1.30 0.00 0.00 177.93 177.12 1x4k n ALA 66 N -2.33 -0.26 -2.70 5.26 0.00 -0.57 -4.93 120.51 114.99 1x4k n ALA 66 Ca -0.08 -0.38 -0.43 0.00 0.00 0.00 0.00 53.44 52.55 1x4k n ALA 66 Cb 0.24 -2.23 -0.04 0.00 0.00 0.00 0.00 19.45 17.42 1x4k n ALA 66 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1x4k s SER 67 N -2.22 6.29 -0.05 0.00 1.04 -1.26 -4.90 113.70 112.61 1x4k s SER 67 Ca 0.72 -0.52 -0.06 0.00 0.48 0.00 0.00 55.95 56.57 1x4k s SER 67 Cb -0.28 -2.43 0.01 0.00 0.10 0.00 0.00 66.02 63.43 1x4k s SER 67 CO 0.53 -1.27 0.16 -0.83 0.98 0.00 0.00 173.24 172.81 1x4k s GLY 68 N 3.03 -0.10 -0.02 7.32 0.00 -1.26 -5.07 107.32 111.22 1x4k s GLY 68 Ca 0.28 0.39 -0.25 0.00 0.00 0.00 0.00 44.72 45.14 1x4k s GLY 68 CO 0.17 0.32 1.23 -0.56 0.00 0.00 0.00 173.10 174.26 1x4k h PRO 69 N 5.70 -0.05 -7.11 2.90 0.13 -1.99 -3.47 132.00 128.12 1x4k h PRO 69 Ca -0.26 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.26 1x4k h PRO 69 Cb 1.20 0.01 -0.35 0.00 0.13 0.00 0.00 31.00 31.99 1x4k h PRO 69 CO 0.40 0.42 -0.89 -1.13 -0.23 0.00 0.00 178.00 176.57 1x4k n SER 70 N -4.88 -2.15 -4.35 1.44 3.41 -1.26 -4.91 113.62 100.92 1x4k n SER 70 Ca -0.08 -1.20 -0.21 0.00 -0.26 0.00 0.00 58.87 57.12 1x4k n SER 70 Cb 0.25 -1.86 -0.11 0.00 -0.26 0.00 0.00 64.21 62.23 1x4k n SER 70 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x4k s SER 71 N -3.27 2.74 0.00 4.04 1.04 -1.26 -5.29 113.70 111.70 1x4k s SER 71 Ca 0.81 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 56.32 1x4k s SER 71 Cb -0.47 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.49 1x4k s SER 71 CO 1.01 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 175.77