#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 7.67 -3.65 1.61 7.64 -1.26 -4.91 113.62 120.72 1x4k n SER 2 Ca 0.00 -3.80 -0.15 0.00 1.01 0.00 0.00 58.87 55.93 1x4k n SER 2 Cb 0.00 -1.00 -0.08 0.00 -1.01 0.00 0.00 64.21 62.12 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 -1.64 -0.58 0.46 6.43 0.15 -1.26 -5.17 113.70 112.09 1x4k s SER 3 Ca 0.62 0.98 -0.01 0.00 0.70 0.00 0.00 55.95 58.24 1x4k s SER 3 Cb 0.49 0.98 -0.01 0.00 -1.71 0.00 0.00 66.02 65.78 1x4k s SER 3 CO -0.12 -0.32 0.69 -0.83 1.20 0.00 0.00 173.24 173.87 1x4k s GLY 4 N -0.17 1.55 -0.14 9.45 0.00 -1.26 -5.05 107.32 111.70 1x4k s GLY 4 Ca -0.04 -0.97 -0.29 0.00 0.00 0.00 0.00 44.72 43.41 1x4k s GLY 4 CO 0.03 -0.80 1.03 -0.45 0.00 0.00 0.00 173.10 172.91 1x4k s SER 5 N -4.20 7.19 0.00 1.64 0.15 -1.26 -4.97 113.70 112.25 1x4k s SER 5 Ca 0.48 1.51 0.00 0.00 0.70 0.00 0.00 55.95 58.64 1x4k s SER 5 Cb -0.10 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 1x4k s SER 5 CO 0.39 -0.52 0.00 -1.20 1.20 0.00 0.00 173.24 173.11 1x4k n SER 6 N 5.41 0.00 0.00 5.45 7.64 -1.26 -5.12 113.62 125.74 1x4k n SER 6 Ca 0.10 0.15 0.00 0.00 1.01 0.00 0.00 58.87 60.13 1x4k n SER 6 Cb 0.48 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 1x4k n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4k n GLY 7 N 2.02 -2.13 3.87 0.23 0.00 -1.26 -4.89 105.19 103.04 1x4k n GLY 7 Ca 0.00 -1.29 -0.31 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.91 1.50 0.00 0.00 1.13 -0.90 -3.61 117.38 112.59 1x4k n GLN 9 Ca 0.07 0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.15 1x4k n GLN 9 Cb 0.56 -1.33 0.00 0.00 0.11 0.00 0.00 30.24 29.58 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 -2.61 0.00 -0.04 -1.09 0.00 -1.26 -3.76 120.64 111.88 1x4k n GLU 10 Ca -0.23 0.43 0.12 0.00 0.00 0.00 0.00 57.16 57.48 1x4k n GLU 10 Cb 0.89 -1.32 0.45 0.00 0.00 0.00 0.00 31.44 31.46 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 0.27 -4.13 -4.21 0.00 4.01 -1.24 -4.96 118.16 107.90 1x4k n LYS 12 Ca 0.18 0.66 -0.32 0.00 -0.51 0.00 0.00 58.31 58.32 1x4k n LYS 12 Cb 0.35 -5.45 -0.08 0.00 -0.51 0.00 0.00 35.03 29.34 1x4k n LYS 12 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1x4k s LYS 13 N -5.89 2.83 -0.22 1.97 -0.14 -1.26 -4.74 119.74 112.28 1x4k s LYS 13 Ca 0.36 -0.61 -0.28 0.00 -1.36 0.00 0.00 55.97 54.08 1x4k s LYS 13 Cb -0.18 -2.70 -0.04 0.00 -1.68 0.00 0.00 37.83 33.23 1x4k s LYS 13 CO 0.45 0.62 2.05 0.99 -0.76 0.00 0.00 175.35 178.70 1x4k s THR 14 N -1.15 3.17 -0.58 2.17 2.01 -1.26 0.16 115.64 120.16 1x4k s THR 14 Ca 0.21 0.18 -0.27 0.00 0.31 0.00 0.00 61.69 62.12 1x4k s THR 14 Cb -0.12 -3.21 -0.01 0.00 0.01 0.00 0.00 72.50 69.18 1x4k s THR 14 CO 0.13 -0.12 1.68 -0.63 -0.69 0.00 0.00 174.62 174.99 1x4k s ILE 15 N 7.36 3.51 0.76 1.82 1.01 -1.26 -4.87 121.20 129.53 1x4k s ILE 15 Ca 0.92 0.36 -0.15 0.00 0.00 0.00 0.00 60.65 61.79 1x4k s ILE 15 Cb -0.31 -4.14 0.02 0.00 0.01 0.00 0.00 42.46 38.04 1x4k s ILE 15 CO 0.35 -1.03 0.92 0.23 0.00 0.00 0.00 174.94 175.41 1x4k n MET 16 N 9.01 0.36 -1.16 2.79 2.81 -1.26 -4.79 117.12 124.87 1x4k n MET 16 Ca 0.17 0.18 -0.29 0.00 -1.81 0.00 0.00 57.70 55.95 1x4k n MET 16 Cb 0.50 -2.19 0.18 0.00 -0.71 0.00 0.00 33.22 31.01 1x4k n MET 16 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1x4k s PRO 17 N -3.43 0.38 0.00 0.03 0.04 -1.26 -4.03 135.00 126.73 1x4k s PRO 17 Ca 0.71 0.51 0.00 0.00 0.04 0.00 0.00 61.00 62.26 1x4k s PRO 17 Cb -0.33 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1x4k s PRO 17 CO 0.53 -2.76 0.00 0.41 0.04 0.00 0.00 177.00 175.22 1x4k n GLY 18 N -1.08 1.82 3.68 0.56 0.00 -1.26 -4.97 105.19 103.94 1x4k n GLY 18 Ca 0.05 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 1x4k n GLY 18 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1x4k n THR 19 N 0.00 3.88 -2.84 2.61 5.66 -1.26 -4.93 114.28 117.40 1x4k n THR 19 Ca 0.00 -0.43 -0.43 0.00 -3.05 0.00 0.00 64.05 60.14 1x4k n THR 19 Cb 0.00 -1.31 -0.04 0.00 -1.55 0.00 0.00 70.33 67.43 1x4k n THR 19 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1x4k s ARG 20 N -3.40 3.58 0.38 1.09 1.70 -1.26 -5.03 118.95 116.01 1x4k s ARG 20 Ca 0.78 0.20 0.08 0.00 -0.47 0.00 0.00 55.73 56.32 1x4k s ARG 20 Cb -0.36 -3.90 -0.02 0.00 -0.57 0.00 0.00 34.95 30.09 1x4k s ARG 20 CO 0.45 -1.14 0.34 -1.59 -1.08 0.00 0.00 175.30 172.27 1x4k s LYS 21 N 3.62 2.62 -0.28 3.89 -2.85 -1.26 -3.60 119.74 121.86 1x4k s LYS 21 Ca 0.36 -1.43 -0.06 0.00 -1.00 0.00 0.00 55.97 53.85 1x4k s LYS 21 Cb -0.11 -2.42 0.01 0.00 -2.06 0.00 0.00 37.83 33.25 1x4k s LYS 21 CO 0.24 -0.06 0.05 -1.64 0.10 0.00 0.00 175.35 174.03 1x4k s MET 22 N -4.07 3.06 -0.32 1.78 -1.94 -0.08 -4.92 119.30 112.82 1x4k s MET 22 Ca 0.45 -0.87 -0.18 0.00 -1.71 0.00 0.00 55.69 53.39 1x4k s MET 22 Cb -0.04 -3.28 -0.01 0.00 2.01 0.00 0.00 34.83 33.50 1x4k s MET 22 CO 0.27 -0.42 0.50 -1.21 -0.01 0.00 0.00 175.02 174.15 1x4k s GLU 23 N 1.46 3.78 -0.08 2.03 2.02 -1.26 -0.41 118.70 126.24 1x4k s GLU 23 Ca 0.02 -0.01 -0.02 0.00 0.02 0.00 0.00 54.97 54.98 1x4k s GLU 23 Cb -0.17 -3.75 0.03 0.00 0.10 0.00 0.00 34.13 30.35 1x4k s GLU 23 CO 0.01 -0.52 0.03 -0.47 0.02 0.00 0.00 175.26 174.33 1x4k s TYR 24 N 2.33 0.46 -1.35 1.61 5.04 0.12 -4.85 117.35 120.70 1x4k s TYR 24 Ca 0.19 -0.10 -0.05 0.00 -2.44 0.00 0.00 57.07 54.67 1x4k s TYR 24 Cb -0.16 -0.71 0.02 0.00 0.35 0.00 0.00 41.96 41.47 1x4k s TYR 24 CO 0.12 -0.33 0.88 1.63 -1.34 0.00 0.00 175.55 176.51 1x4k n LYS 25 N 5.20 -5.71 0.00 4.97 4.01 -1.26 -1.50 118.16 123.87 1x4k n LYS 25 Ca -0.06 0.68 0.00 0.00 -0.51 0.00 0.00 58.31 58.42 1x4k n LYS 25 Cb 0.50 -5.45 0.00 0.00 -0.51 0.00 0.00 35.03 29.56 1x4k n LYS 25 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1x4k n GLY 26 N -1.59 1.73 3.82 0.72 0.00 -1.26 -4.96 105.19 103.65 1x4k n GLY 26 Ca -0.17 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 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 5.00 0.20 1.61 0.01 -0.56 -5.04 113.70 114.94 1x4k s SER 27 Ca 0.00 1.40 0.08 0.00 1.31 0.00 0.00 55.95 58.74 1x4k s SER 27 Cb 0.00 -2.21 -0.05 0.00 0.21 0.00 0.00 66.02 63.98 1x4k s SER 27 CO 0.00 -1.65 -0.16 -0.94 0.41 0.00 0.00 173.24 170.89 1x4k s SER 28 N -3.94 2.71 -0.09 2.44 1.04 -1.26 0.11 113.70 114.72 1x4k s SER 28 Ca 0.59 -0.97 -0.04 0.00 0.48 0.00 0.00 55.95 56.01 1x4k s SER 28 Cb -0.14 -0.16 0.05 0.00 0.10 0.00 0.00 66.02 65.87 1x4k s SER 28 CO 0.54 -0.10 0.19 0.26 0.98 0.00 0.00 173.24 175.11 1x4k s TRP 29 N -2.62 -0.25 0.93 5.02 0.51 0.45 -2.11 118.94 120.86 1x4k s TRP 29 Ca 0.21 0.68 -0.15 0.00 -2.12 0.00 0.00 56.10 54.72 1x4k s TRP 29 Cb -0.03 -0.14 -0.07 0.00 -0.81 0.00 0.00 33.47 32.43 1x4k s TRP 29 CO 0.08 -0.26 -0.18 0.72 -0.51 0.00 0.00 176.95 176.80 1x4k n HIS 30 N 4.95 -3.24 0.31 -1.98 8.25 -1.26 -0.90 115.22 121.35 1x4k n HIS 30 Ca -0.12 0.13 0.19 0.00 -0.26 0.00 0.00 57.72 57.66 1x4k n HIS 30 Cb 0.51 -1.63 0.93 0.00 1.12 0.00 0.00 29.99 30.92 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 -1.11 0.00 -0.01 -0.41 4.11 -1.93 -1.07 114.58 114.16 1x4k h GLU 31 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 1x4k h GLU 31 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1x4k h GLU 31 CO 0.30 0.00 -0.21 0.25 0.07 0.00 0.00 179.01 179.42 1x4k n THR 32 N -2.96 0.00 -0.04 -1.06 -2.24 -1.26 -4.43 114.28 102.30 1x4k n THR 32 Ca -0.01 -0.39 0.05 0.00 -2.27 0.00 0.00 64.05 61.43 1x4k n THR 32 Cb 0.16 1.18 -0.17 0.00 -2.10 0.00 0.00 70.33 69.41 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 -2.40 0.43 -0.68 0.00 7.35 -0.51 -4.86 117.46 116.79 1x4k n PHE 34 Ca -0.12 -0.44 -0.29 0.00 -0.76 0.00 0.00 57.45 55.84 1x4k n PHE 34 Cb 0.74 -0.27 0.22 0.00 0.35 0.00 0.00 39.48 40.51 1x4k n PHE 34 CO 0.00 0.00 0.00 0.96 -0.76 0.00 0.00 176.76 176.96 1x4k s ILE 35 N -0.89 2.10 0.93 -2.13 -5.25 -1.26 -4.16 121.20 110.54 1x4k s ILE 35 Ca 0.09 0.03 -0.12 0.00 -0.99 0.00 0.00 60.65 59.66 1x4k s ILE 35 Cb 0.07 -2.15 0.15 0.00 2.95 0.00 0.00 42.46 43.49 1x4k s ILE 35 CO 0.02 -0.04 1.10 0.00 -1.79 0.00 0.00 174.94 174.23 1x4k n HIS 37 N -3.95 0.00 -0.09 0.00 8.25 -0.10 -3.22 115.22 116.11 1x4k n HIS 37 Ca 0.06 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.38 1x4k n HIS 37 Cb 0.56 -0.18 -0.05 0.00 1.12 0.00 0.00 29.99 31.44 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 -1.75 0.46 0.01 -0.41 0.63 -1.26 -4.64 116.66 109.70 1x4k n ARG 38 Ca 0.01 0.19 0.12 0.00 -0.92 0.00 0.00 57.85 57.24 1x4k n ARG 38 Cb 0.39 -1.29 0.17 0.00 0.45 0.00 0.00 32.46 32.18 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 -1.58 -5.97 -4.63 0.00 3.00 -1.20 -4.92 117.38 102.08 1x4k n GLN 40 Ca 0.05 0.68 -0.31 0.00 -0.01 0.00 0.00 57.00 57.41 1x4k n GLN 40 Cb 0.35 -5.52 -0.12 0.00 0.00 0.00 0.00 30.24 24.95 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 -6.21 2.27 -1.17 -1.09 -0.21 -1.26 -4.60 119.66 107.39 1x4k s GLN 41 Ca 0.36 -0.87 -0.23 0.00 0.02 0.00 0.00 55.36 54.65 1x4k s GLN 41 Cb -0.18 -2.31 -0.09 0.00 1.00 0.00 0.00 33.01 31.44 1x4k s GLN 41 CO 0.79 0.57 1.94 -1.25 -2.12 0.00 0.00 175.29 175.22 1x4k s PRO 42 N -1.35 2.50 0.11 2.91 0.04 -1.26 0.66 135.00 138.61 1x4k s PRO 42 Ca 0.15 -1.13 -0.27 0.00 0.04 0.00 0.00 61.00 59.79 1x4k s PRO 42 Cb -0.11 -5.24 -0.09 0.00 0.04 0.00 0.00 34.50 29.11 1x4k s PRO 42 CO 0.05 -3.96 1.45 0.82 0.04 0.00 0.00 177.00 175.41 1x4k h ILE 43 N 6.23 0.00 0.00 0.56 2.04 -1.88 -3.46 117.51 120.99 1x4k h ILE 43 Ca 0.21 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.07 1x4k h ILE 43 Cb 0.94 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 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 -1.29 1.53 2.79 5.37 0.00 -1.26 -4.44 105.19 107.90 1x4k n GLY 44 Ca -0.02 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 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 2.12 0.17 2.61 -4.23 -1.26 -5.03 115.64 110.02 1x4k s THR 45 Ca 0.00 -3.45 -0.24 0.00 -1.18 0.00 0.00 61.69 56.82 1x4k s THR 45 Cb 0.00 -2.43 0.06 0.00 1.34 0.00 0.00 72.50 71.46 1x4k s THR 45 CO 0.00 -0.97 0.74 -1.59 -0.54 0.00 0.00 174.62 172.26 1x4k s LYS 46 N -0.58 1.36 -0.70 3.99 -2.85 -1.26 -5.09 119.74 114.60 1x4k s LYS 46 Ca 0.23 -0.63 -0.36 0.00 -1.00 0.00 0.00 55.97 54.20 1x4k s LYS 46 Cb -0.12 0.54 -0.19 0.00 -2.06 0.00 0.00 37.83 35.99 1x4k s LYS 46 CO -0.10 -0.61 2.41 -1.13 0.10 0.00 0.00 175.35 176.02 1x4k n SER 47 N -0.40 0.80 -3.78 0.03 3.41 -1.26 -4.88 113.62 107.54 1x4k n SER 47 Ca -0.10 0.36 -0.13 0.00 -0.26 0.00 0.00 58.87 58.74 1x4k n SER 47 Cb 0.62 -0.99 -0.10 0.00 -0.26 0.00 0.00 64.21 63.48 1x4k n SER 47 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1x4k s PHE 48 N 7.84 -0.24 -0.47 7.33 -0.71 -1.26 -3.57 117.98 126.89 1x4k s PHE 48 Ca 1.25 0.54 -0.13 0.00 -1.04 0.00 0.00 56.93 57.54 1x4k s PHE 48 Cb -1.24 0.09 0.08 0.00 -1.21 0.00 0.00 43.02 40.74 1x4k s PHE 48 CO 0.54 -0.23 0.37 0.42 -1.34 0.00 0.00 175.22 174.98 1x4k s ILE 49 N -0.41 4.90 -0.14 -4.49 1.09 0.11 -4.93 121.20 117.34 1x4k s ILE 49 Ca -0.05 -1.25 -0.29 0.00 -1.10 0.00 0.00 60.65 57.95 1x4k s ILE 49 Cb -0.03 -3.99 -0.04 0.00 -1.06 0.00 0.00 42.46 37.34 1x4k s ILE 49 CO 0.02 -0.61 1.56 -2.16 -0.10 0.00 0.00 174.94 173.64 1x4k s PRO 50 N 1.56 4.04 0.38 2.79 0.04 -1.26 -2.34 135.00 140.21 1x4k s PRO 50 Ca 0.04 1.87 -0.14 0.00 0.04 0.00 0.00 61.00 62.81 1x4k s PRO 50 Cb -0.25 -3.96 -0.08 0.00 0.04 0.00 0.00 34.50 30.25 1x4k s PRO 50 CO 0.05 -0.99 0.79 0.21 0.04 0.00 0.00 177.00 177.09 1x4k s LYS 51 N 4.18 3.94 0.02 4.56 2.47 0.19 -4.96 119.74 130.13 1x4k s LYS 51 Ca 0.69 0.66 -0.03 0.00 -1.56 0.00 0.00 55.97 55.73 1x4k s LYS 51 Cb -0.27 -2.37 -0.01 0.00 -1.46 0.00 0.00 37.83 33.72 1x4k s LYS 51 CO 0.26 0.04 0.61 -0.25 0.16 0.00 0.00 175.35 176.17 1x4k n ASP 52 N -0.82 -0.10 -0.60 1.43 8.00 -1.26 -1.63 116.55 121.57 1x4k n ASP 52 Ca 0.04 0.63 0.05 0.00 0.71 0.00 0.00 54.79 56.23 1x4k n ASP 52 Cb 0.54 -0.25 0.20 0.00 -0.02 0.00 0.00 41.12 41.59 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 -2.94 1.84 -2.95 -2.24 0.23 -1.26 -5.04 115.26 102.91 1x4k n ASN 53 Ca 0.00 -3.82 -0.13 0.00 -0.53 0.00 0.00 54.58 50.10 1x4k n ASN 53 Cb 0.03 -0.53 -0.01 0.00 -2.08 0.00 0.00 39.78 37.19 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 -1.14 0.88 -3.74 -3.83 6.02 -0.64 -5.17 117.38 109.74 1x4k n GLN 54 Ca 0.20 -2.63 -0.16 0.00 -0.01 0.00 0.00 57.00 54.40 1x4k n GLN 54 Cb 0.72 2.77 -0.16 0.00 1.02 0.00 0.00 30.24 34.58 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 -3.17 0.31 -0.03 1.08 -0.87 -1.26 0.54 114.94 111.54 1x4k s ASN 55 Ca 0.25 0.07 0.01 0.00 -1.57 0.00 0.00 52.86 51.61 1x4k s ASN 55 Cb -0.02 -0.06 0.02 0.00 -0.02 0.00 0.00 41.25 41.16 1x4k s ASN 55 CO 0.18 -0.16 -0.01 -0.36 -2.57 0.00 0.00 177.10 174.18 1x4k s PHE 56 N 1.35 0.38 0.75 2.20 0.08 -0.99 -0.92 117.98 120.83 1x4k s PHE 56 Ca -0.06 -0.04 -0.13 0.00 0.12 0.00 0.00 56.93 56.83 1x4k s PHE 56 Cb -0.13 -0.42 0.19 0.00 -0.57 0.00 0.00 43.02 42.10 1x4k s PHE 56 CO -0.03 -0.12 0.50 0.00 -0.10 0.00 0.00 175.22 175.46 1x4k h VAL 58 N -2.68 1.03 0.00 0.00 2.07 -1.92 0.29 116.25 115.03 1x4k h VAL 58 Ca -0.21 -0.65 -0.07 0.00 0.82 0.00 0.00 66.70 66.58 1x4k h VAL 58 Cb 0.70 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1x4k h VAL 58 CO 0.13 0.16 -0.34 1.55 0.02 0.00 0.00 177.57 179.09 1x4k h PRO 59 N -0.48 0.00 0.00 1.57 0.13 -1.92 -2.56 132.00 128.74 1x4k h PRO 59 Ca -0.02 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.07 1x4k h PRO 59 Cb 0.38 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.51 1x4k h PRO 59 CO 0.03 0.34 -0.22 0.00 -0.23 0.00 0.00 178.00 177.92 1x4k h TYR 61 N -1.00 -0.45 -0.90 0.00 3.20 -0.46 -2.06 116.97 115.30 1x4k h TYR 61 Ca -0.06 0.02 0.23 0.00 3.14 0.00 0.00 58.73 62.07 1x4k h TYR 61 Cb 0.91 0.22 -0.16 0.00 1.54 0.00 0.00 36.73 39.24 1x4k h TYR 61 CO 0.20 -0.25 0.06 0.93 -1.64 0.00 0.00 178.16 177.46 1x4k h GLU 62 N -0.23 0.07 -0.27 1.82 5.08 -1.62 0.29 114.58 119.73 1x4k h GLU 62 Ca 0.09 -0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.51 1x4k h GLU 62 Cb 0.36 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.53 1x4k h GLU 62 CO -0.25 0.05 -0.12 0.87 -1.00 0.00 0.00 179.01 178.56 1x4k h LYS 63 N 0.07 -0.08 0.60 2.33 1.57 -1.47 0.13 116.57 119.72 1x4k h LYS 63 Ca 0.53 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 59.29 1x4k h LYS 63 Cb 1.05 0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.39 1x4k h LYS 63 CO -0.80 -0.06 -0.29 1.96 -0.57 0.00 0.00 179.45 179.70 1x4k h GLN 64 N -0.09 -0.78 -0.75 3.15 4.20 -0.49 -3.19 115.11 117.16 1x4k h GLN 64 Ca 0.14 0.05 0.15 0.00 0.06 0.00 0.00 58.65 59.05 1x4k h GLN 64 Cb 0.30 0.18 -0.14 0.00 0.30 0.00 0.00 27.48 28.11 1x4k h GLN 64 CO -0.32 -0.48 -0.21 1.25 -0.67 0.00 0.00 178.83 178.39 1x4k h HIS 65 N -1.13 -0.48 -3.51 2.96 2.76 -0.62 -3.35 115.15 111.78 1x4k h HIS 65 Ca -0.08 0.07 -0.61 0.00 -2.20 0.00 0.00 60.37 57.54 1x4k h HIS 65 Cb 0.66 0.33 -0.37 0.00 1.55 0.00 0.00 27.41 29.57 1x4k h HIS 65 CO 0.00 -0.34 -0.80 0.00 -1.30 0.00 0.00 177.93 175.50 1x4k s ALA 66 N -6.21 1.99 -0.16 5.26 0.00 0.44 -5.01 121.76 118.09 1x4k s ALA 66 Ca -0.14 -1.26 -0.18 0.00 0.00 0.00 0.00 51.96 50.37 1x4k s ALA 66 Cb 0.21 -1.33 -0.15 0.00 0.00 0.00 0.00 23.12 21.85 1x4k s ALA 66 CO 0.74 -0.95 0.28 1.03 0.00 0.00 0.00 175.76 176.87 1x4k h SER 67 N 7.96 0.00 -2.03 0.00 0.87 -1.70 -3.38 113.55 115.28 1x4k h SER 67 Ca -0.24 -0.49 0.00 0.00 -1.23 0.00 0.00 61.79 59.83 1x4k h SER 67 Cb 1.09 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 1x4k h SER 67 CO 0.45 1.04 0.00 0.61 -0.53 0.00 0.00 176.83 178.41 1x4k n GLY 68 N 1.58 0.71 0.00 5.77 0.00 -1.26 -4.76 105.19 107.22 1x4k n GLY 68 Ca -0.16 -2.09 0.07 0.00 0.00 0.00 0.00 46.02 43.85 1x4k n GLY 68 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4k n PRO 69 N 0.00 0.49 -0.85 1.61 -0.04 -1.26 -4.85 135.00 130.09 1x4k n PRO 69 Ca 0.00 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.11 1x4k n PRO 69 Cb 0.00 -1.45 0.10 0.00 -0.04 0.00 0.00 33.50 32.10 1x4k n PRO 69 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x4k n SER 70 N -0.95 -3.11 -2.34 3.54 7.64 -1.26 -4.91 113.62 112.23 1x4k n SER 70 Ca 0.11 0.03 -0.28 0.00 1.01 0.00 0.00 58.87 59.73 1x4k n SER 70 Cb 0.05 -0.81 0.02 0.00 -1.01 0.00 0.00 64.21 62.46 1x4k n SER 70 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x4k n SER 71 N 0.90 5.46 0.00 6.43 2.88 -1.26 -5.16 113.62 122.87 1x4k n SER 71 Ca 0.00 -3.75 0.00 0.00 -1.33 0.00 0.00 58.87 53.79 1x4k n SER 71 Cb 0.65 -0.54 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 1x4k n SER 71 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42