#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wyh n SER 2 N 0.00 4.80 -4.80 1.61 7.64 -1.26 -5.06 113.62 116.55 1wyh n SER 2 Ca 0.00 -3.70 -0.35 0.00 1.01 0.00 0.00 58.87 55.82 1wyh n SER 2 Cb 0.00 -0.37 -0.06 0.00 -1.01 0.00 0.00 64.21 62.77 1wyh n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wyh s SER 3 N -3.59 7.13 -0.45 6.43 0.15 -1.26 -4.89 113.70 117.22 1wyh s SER 3 Ca 0.50 1.66 -0.37 0.00 0.70 0.00 0.00 55.95 58.44 1wyh s SER 3 Cb 0.41 -2.52 -0.16 0.00 -1.71 0.00 0.00 66.02 62.04 1wyh s SER 3 CO -0.00 -0.12 1.85 0.61 1.20 0.00 0.00 173.24 176.78 1wyh n GLY 4 N 0.24 -0.14 3.19 9.45 0.00 -1.26 -4.89 105.19 111.77 1wyh n GLY 4 Ca 0.02 0.96 -0.11 0.00 0.00 0.00 0.00 46.02 46.89 1wyh n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wyh s SER 5 N 5.26 1.25 -0.45 1.61 0.15 -1.26 -5.12 113.70 115.13 1wyh s SER 5 Ca 1.03 -1.02 -0.15 0.00 0.70 0.00 0.00 55.95 56.52 1wyh s SER 5 Cb -1.28 0.08 0.06 0.00 -1.71 0.00 0.00 66.02 63.17 1wyh s SER 5 CO 0.56 -0.45 0.35 -0.44 1.20 0.00 0.00 173.24 174.46 1wyh s SER 6 N -3.07 6.08 0.23 5.45 0.01 -1.26 -5.06 113.70 116.08 1wyh s SER 6 Ca 0.13 -1.21 0.06 0.00 1.31 0.00 0.00 55.95 56.25 1wyh s SER 6 Cb 0.05 -2.16 -0.05 0.00 0.21 0.00 0.00 66.02 64.07 1wyh s SER 6 CO -0.03 -0.57 -0.09 -0.83 0.41 0.00 0.00 173.24 172.13 1wyh s GLY 7 N 2.27 1.53 0.34 3.44 0.00 -1.26 -3.02 107.32 110.62 1wyh s GLY 7 Ca 0.04 -1.74 -0.29 0.00 0.00 0.00 0.00 44.72 42.74 1wyh s GLY 7 CO 0.07 -1.75 1.37 0.00 0.00 0.00 0.00 173.10 172.80 1wyh n SER 9 N 0.81 0.97 -0.09 0.00 2.88 -0.07 -2.12 113.62 116.01 1wyh n SER 9 Ca 0.01 -0.78 -0.12 0.00 -1.33 0.00 0.00 58.87 56.65 1wyh n SER 9 Cb 0.41 0.47 -0.06 0.00 -0.75 0.00 0.00 64.21 64.29 1wyh n SER 9 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wyh n ALA 10 N -1.11 0.60 -0.09 -1.46 0.00 -1.26 -4.67 120.51 112.51 1wyh n ALA 10 Ca 0.07 -0.46 -0.13 0.00 0.00 0.00 0.00 53.44 52.92 1wyh n ALA 10 Cb 0.36 -0.21 -0.14 0.00 0.00 0.00 0.00 19.45 19.45 1wyh n ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wyh n GLY 12 N 1.90 0.99 2.00 0.00 0.00 -0.90 -5.04 105.19 104.13 1wyh n GLY 12 Ca -0.35 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.51 1wyh n GLY 12 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wyh n GLU 13 N -1.89 -1.28 -3.43 1.61 -0.58 -1.26 -4.59 120.64 109.23 1wyh n GLU 13 Ca 0.00 -1.04 -0.44 0.00 -0.42 0.00 0.00 57.16 55.26 1wyh n GLU 13 Cb 0.00 -0.79 -0.08 0.00 -0.57 0.00 0.00 31.44 30.00 1wyh n GLU 13 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1wyh s THR 14 N -2.37 4.96 -0.52 2.62 2.01 -1.26 0.16 115.64 121.24 1wyh s THR 14 Ca 0.40 -1.23 -0.28 0.00 0.31 0.00 0.00 61.69 60.89 1wyh s THR 14 Cb -0.02 -4.02 0.01 0.00 0.01 0.00 0.00 72.50 68.48 1wyh s THR 14 CO 0.29 -0.61 1.45 -0.69 -0.69 0.00 0.00 174.62 174.36 1wyh s VAL 15 N 1.57 3.79 0.46 3.82 1.01 -1.17 -4.89 120.40 124.99 1wyh s VAL 15 Ca 0.04 0.71 -0.21 0.00 0.00 0.00 0.00 61.98 62.51 1wyh s VAL 15 Cb -0.25 -4.33 -0.10 0.00 0.00 0.00 0.00 36.38 31.70 1wyh s VAL 15 CO 0.05 -1.03 1.00 -0.04 0.00 0.00 0.00 175.10 175.08 1wyh s MET 16 N 5.44 4.00 0.90 2.72 -1.94 -1.26 -4.77 119.30 124.39 1wyh s MET 16 Ca 0.56 1.27 -0.12 0.00 -1.71 0.00 0.00 55.69 55.69 1wyh s MET 16 Cb -0.12 -2.16 0.13 0.00 2.01 0.00 0.00 34.83 34.70 1wyh s MET 16 CO 0.27 -0.25 1.09 -1.25 -0.01 0.00 0.00 175.02 174.87 1wyh s PRO 17 N -3.17 1.22 0.00 2.03 0.04 -1.26 -3.73 135.00 130.14 1wyh s PRO 17 Ca 0.65 0.80 0.00 0.00 0.04 0.00 0.00 61.00 62.49 1wyh s PRO 17 Cb -0.14 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1wyh s PRO 17 CO 0.17 -2.26 0.00 0.41 0.04 0.00 0.00 177.00 175.36 1wyh n GLY 18 N -1.14 1.08 3.77 0.56 0.00 -1.26 -4.94 105.19 103.26 1wyh n GLY 18 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 1wyh n GLY 18 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wyh s SER 19 N 0.00 5.87 -0.42 1.61 0.01 -1.24 -4.86 113.70 114.67 1wyh s SER 19 Ca 0.00 2.36 -0.33 0.00 1.31 0.00 0.00 55.95 59.29 1wyh s SER 19 Cb 0.00 -2.60 -0.11 0.00 0.21 0.00 0.00 66.02 63.51 1wyh s SER 19 CO 0.00 -1.13 2.27 0.54 0.41 0.00 0.00 173.24 175.34 1wyh n ARG 20 N -0.80 1.02 -4.30 12.44 3.00 -1.26 -4.89 116.66 121.87 1wyh n ARG 20 Ca 0.09 0.24 -0.20 0.00 -0.01 0.00 0.00 57.85 57.96 1wyh n ARG 20 Cb 0.48 -2.56 -0.08 0.00 0.00 0.00 0.00 32.46 30.30 1wyh n ARG 20 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 1wyh s LYS 21 N 6.79 1.80 0.02 5.56 -2.85 -1.26 -2.98 119.74 126.82 1wyh s LYS 21 Ca 1.10 -2.05 -0.00 0.00 -1.00 0.00 0.00 55.97 54.01 1wyh s LYS 21 Cb -0.77 0.29 -0.02 0.00 -2.06 0.00 0.00 37.83 35.27 1wyh s LYS 21 CO 0.45 -0.66 -0.02 -0.51 0.10 0.00 0.00 175.35 174.71 1wyh s LEU 22 N -3.40 2.24 -0.20 2.77 1.43 0.17 -4.71 118.68 116.97 1wyh s LEU 22 Ca 0.40 -0.54 -0.05 0.00 -1.03 0.00 0.00 54.13 52.91 1wyh s LEU 22 Cb 0.02 0.14 0.10 0.00 0.03 0.00 0.00 46.19 46.48 1wyh s LEU 22 CO 0.28 -0.34 0.36 -1.61 0.23 0.00 0.00 176.35 175.28 1wyh s GLU 23 N -1.73 0.29 -0.03 1.70 2.02 -1.26 0.10 118.70 119.79 1wyh s GLU 23 Ca -0.13 0.74 0.01 0.00 0.02 0.00 0.00 54.97 55.61 1wyh s GLU 23 Cb -0.08 -0.15 0.01 0.00 0.10 0.00 0.00 34.13 34.01 1wyh s GLU 23 CO -0.02 -0.44 -0.05 0.71 0.02 0.00 0.00 175.26 175.48 1wyh s TYR 24 N 2.53 0.69 -1.87 1.61 1.51 -0.85 -4.79 117.35 116.19 1wyh s TYR 24 Ca 0.05 -0.17 0.00 0.00 -1.01 0.00 0.00 57.07 55.94 1wyh s TYR 24 Cb -0.14 -0.56 0.00 0.00 -0.11 0.00 0.00 41.96 41.15 1wyh s TYR 24 CO -0.13 -0.12 0.00 0.41 -1.11 0.00 0.00 175.55 174.59 1wyh n GLY 25 N 3.64 0.72 0.38 0.71 0.00 -1.26 -1.85 105.19 107.53 1wyh n GLY 25 Ca -0.21 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1wyh n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wyh n GLY 26 N -0.80 2.94 3.62 -0.02 0.00 -1.26 -5.04 105.19 104.63 1wyh n GLY 26 Ca -0.21 -0.31 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 1wyh n GLY 26 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wyh s GLN 27 N 0.00 -0.28 -0.09 1.61 -0.21 -0.77 -5.04 119.66 114.88 1wyh s GLN 27 Ca 0.00 0.38 -0.04 0.00 0.02 0.00 0.00 55.36 55.72 1wyh s GLN 27 Cb 0.00 -1.67 0.04 0.00 1.00 0.00 0.00 33.01 32.39 1wyh s GLN 27 CO 0.00 -3.18 0.18 0.99 -2.12 0.00 0.00 175.29 171.16 1wyh s THR 28 N -2.90 -0.13 0.09 -0.19 2.01 -1.26 -2.00 115.64 111.26 1wyh s THR 28 Ca 0.67 0.22 0.07 0.00 0.31 0.00 0.00 61.69 62.97 1wyh s THR 28 Cb -0.17 -0.31 -0.03 0.00 0.01 0.00 0.00 72.50 72.00 1wyh s THR 28 CO 0.58 0.09 -0.20 0.26 -0.69 0.00 0.00 174.62 174.67 1wyh s TRP 29 N 1.56 1.68 0.43 4.92 0.51 0.11 -0.89 118.94 127.27 1wyh s TRP 29 Ca -0.06 -0.41 -0.24 0.00 -2.12 0.00 0.00 56.10 53.27 1wyh s TRP 29 Cb -0.11 -0.94 -0.08 0.00 -0.81 0.00 0.00 33.47 31.52 1wyh s TRP 29 CO -0.07 0.16 1.12 -1.01 -0.51 0.00 0.00 176.95 176.64 1wyh s HIS 30 N -1.11 3.05 -0.11 -1.98 3.76 -1.26 0.41 115.29 118.05 1wyh s HIS 30 Ca 0.05 1.58 0.11 0.00 -0.15 0.00 0.00 55.06 56.65 1wyh s HIS 30 Cb -0.10 -3.29 0.60 0.00 1.11 0.00 0.00 32.58 30.90 1wyh s HIS 30 CO 0.03 -1.14 1.22 -1.91 -0.85 0.00 0.00 174.74 172.09 1wyh n GLU 31 N -0.24 0.08 -0.00 1.40 2.13 -1.16 0.10 120.64 122.95 1wyh n GLU 31 Ca 0.06 0.52 0.05 0.00 0.66 0.00 0.00 57.16 58.45 1wyh n GLU 31 Cb 0.48 -2.01 -0.07 0.00 0.27 0.00 0.00 31.44 30.12 1wyh n GLU 31 CO 0.00 0.00 0.00 -2.39 -0.41 0.00 0.00 177.13 174.33 1wyh n HIS 32 N -1.92 0.00 -0.04 4.31 1.44 -1.26 -4.49 115.22 113.26 1wyh n HIS 32 Ca -0.01 0.00 -0.17 0.00 -2.01 0.00 0.00 57.72 55.53 1wyh n HIS 32 Cb 0.28 -0.10 -0.14 0.00 0.12 0.00 0.00 29.99 30.15 1wyh n HIS 32 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1wyh s PHE 34 N -2.55 1.48 0.51 0.00 5.36 0.94 -4.86 117.98 118.86 1wyh s PHE 34 Ca -0.21 1.08 0.01 0.00 -0.96 0.00 0.00 56.93 56.85 1wyh s PHE 34 Cb 0.07 -3.89 -0.01 0.00 -0.34 0.00 0.00 43.02 38.86 1wyh s PHE 34 CO 0.74 -2.22 0.02 -0.51 -1.46 0.00 0.00 175.22 171.80 1wyh s LEU 35 N 10.59 2.17 0.20 6.12 1.43 -1.26 -2.29 118.68 135.64 1wyh s LEU 35 Ca 0.78 -1.70 -0.10 0.00 -1.03 0.00 0.00 54.13 52.07 1wyh s LEU 35 Cb -0.13 -0.60 -0.07 0.00 0.03 0.00 0.00 46.19 45.42 1wyh s LEU 35 CO 0.18 -0.92 0.53 0.00 0.23 0.00 0.00 176.35 176.36 1wyh n SER 37 N 0.13 3.33 0.00 0.00 2.88 0.12 -2.09 113.62 117.98 1wyh n SER 37 Ca -0.01 -2.55 0.00 0.00 -1.33 0.00 0.00 58.87 54.97 1wyh n SER 37 Cb 0.52 -0.61 0.00 0.00 -0.75 0.00 0.00 64.21 63.37 1wyh n SER 37 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wyh n GLY 38 N 0.12 0.00 0.14 0.46 0.00 -1.26 -4.89 105.19 99.76 1wyh n GLY 38 Ca 0.18 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.23 1wyh n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wyh n GLU 40 N -0.21 -4.83 -3.44 0.00 4.71 -0.89 -4.94 120.64 111.04 1wyh n GLU 40 Ca 0.02 0.83 -0.36 0.00 -0.01 0.00 0.00 57.16 57.64 1wyh n GLU 40 Cb 0.12 -5.54 -0.06 0.00 -1.01 0.00 0.00 31.44 24.95 1wyh n GLU 40 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 1wyh s GLN 41 N -5.67 3.92 -0.86 3.49 -1.52 -1.26 -4.57 119.66 113.19 1wyh s GLN 41 Ca 0.31 0.40 -0.25 0.00 -1.95 0.00 0.00 55.36 53.87 1wyh s GLN 41 Cb -0.14 -3.03 -0.04 0.00 -0.22 0.00 0.00 33.01 29.58 1wyh s GLN 41 CO 0.38 0.55 1.94 -1.25 -0.25 0.00 0.00 175.29 176.66 1wyh s PRO 42 N -1.72 2.56 0.00 2.91 0.04 -1.26 -0.67 135.00 136.86 1wyh s PRO 42 Ca 0.33 -0.15 0.13 0.00 0.04 0.00 0.00 61.00 61.35 1wyh s PRO 42 Cb -0.15 -4.96 0.78 0.00 0.04 0.00 0.00 34.50 30.20 1wyh s PRO 42 CO 0.18 -3.29 1.30 1.28 0.04 0.00 0.00 177.00 176.51 1wyh n LEU 43 N 13.81 0.00 -0.32 -3.56 4.77 -0.97 -4.02 117.00 126.71 1wyh n LEU 43 Ca 0.37 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.45 1wyh n LEU 43 Cb 0.48 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.78 1wyh n LEU 43 CO 0.62 0.00 0.78 1.23 -1.33 0.00 0.00 177.39 178.68 1wyh h GLY 44 N 3.91 1.00 -2.45 -0.72 0.00 -1.78 -1.41 103.07 101.62 1wyh h GLY 44 Ca 0.00 0.18 -0.20 0.00 0.00 0.00 0.00 47.33 47.31 1wyh h GLY 44 CO 0.00 -0.41 -0.72 -1.14 0.00 0.00 0.00 176.54 174.26 1wyh n SER 45 N -5.47 2.51 -4.36 0.19 3.41 -1.26 -5.01 113.62 103.63 1wyh n SER 45 Ca 0.18 -3.42 -0.18 0.00 -0.26 0.00 0.00 58.87 55.19 1wyh n SER 45 Cb 0.61 -0.44 -0.10 0.00 -0.26 0.00 0.00 64.21 64.02 1wyh n SER 45 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1wyh s ARG 46 N -2.92 1.38 0.01 4.33 0.52 -0.53 -5.13 118.95 116.61 1wyh s ARG 46 Ca 0.40 -1.68 -0.26 0.00 -0.52 0.00 0.00 55.73 53.67 1wyh s ARG 46 Cb 0.38 -0.85 -0.05 0.00 0.52 0.00 0.00 34.95 34.95 1wyh s ARG 46 CO -0.05 -0.01 0.79 -1.12 0.02 0.00 0.00 175.30 174.93 1wyh s SER 47 N -3.34 7.19 0.27 0.23 0.01 -1.26 -4.87 113.70 111.93 1wyh s SER 47 Ca 0.27 1.43 -0.03 0.00 1.31 0.00 0.00 55.95 58.93 1wyh s SER 47 Cb 0.04 -2.47 0.01 0.00 0.21 0.00 0.00 66.02 63.81 1wyh s SER 47 CO 0.09 -0.07 0.41 2.22 0.41 0.00 0.00 173.24 176.30 1wyh n PHE 48 N 3.23 -1.37 -3.79 2.43 -1.74 -1.26 -2.84 117.46 112.13 1wyh n PHE 48 Ca -0.01 -1.69 -0.26 0.00 -0.56 0.00 0.00 57.45 54.93 1wyh n PHE 48 Cb 0.51 0.47 -0.17 0.00 1.52 0.00 0.00 39.48 41.81 1wyh n PHE 48 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 1wyh s VAL 49 N -2.64 0.63 -0.52 1.97 1.01 0.22 -4.75 120.40 116.32 1wyh s VAL 49 Ca 0.20 -0.35 -0.27 0.00 0.00 0.00 0.00 61.98 61.56 1wyh s VAL 49 Cb -0.01 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.42 1wyh s VAL 49 CO 0.14 0.04 1.80 -2.16 0.00 0.00 0.00 175.10 174.92 1wyh s PRO 50 N 1.84 2.90 0.28 2.72 0.04 -1.26 -2.47 135.00 139.05 1wyh s PRO 50 Ca 0.02 0.86 0.04 0.00 0.04 0.00 0.00 61.00 61.95 1wyh s PRO 50 Cb -0.15 -4.30 0.04 0.00 0.04 0.00 0.00 34.50 30.13 1wyh s PRO 50 CO -0.07 -2.39 0.33 -3.47 0.04 0.00 0.00 177.00 171.44 1wyh n ASP 51 N 11.73 1.31 -4.51 6.66 2.03 0.17 -4.96 116.55 128.98 1wyh n ASP 51 Ca 0.21 -1.82 -0.37 0.00 0.52 0.00 0.00 54.79 53.33 1wyh n ASP 51 Cb 0.50 -0.15 -0.12 0.00 -0.72 0.00 0.00 41.12 40.63 1wyh n ASP 51 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1wyh n LYS 52 N -1.46 0.28 -2.17 -0.67 4.01 -1.26 -1.25 118.16 115.65 1wyh n LYS 52 Ca 0.05 -0.03 -0.03 0.00 -0.51 0.00 0.00 58.31 57.79 1wyh n LYS 52 Cb 0.30 -2.03 -0.00 0.00 -0.51 0.00 0.00 35.03 32.79 1wyh n LYS 52 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1wyh n GLY 53 N 6.30 -0.33 2.86 0.72 0.00 -1.26 -4.87 105.19 108.62 1wyh n GLY 53 Ca 0.58 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.46 1wyh n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wyh s ALA 54 N -1.93 -0.13 -0.42 4.61 0.00 -0.38 -5.10 121.76 118.40 1wyh s ALA 54 Ca 0.00 0.54 -0.15 0.00 0.00 0.00 0.00 51.96 52.36 1wyh s ALA 54 Cb 0.00 -0.45 0.04 0.00 0.00 0.00 0.00 23.12 22.71 1wyh s ALA 54 CO 0.00 -0.21 0.31 -1.01 0.00 0.00 0.00 175.76 174.86 1wyh s HIS 55 N 1.33 3.24 -0.12 0.00 0.09 -1.26 0.45 115.29 119.02 1wyh s HIS 55 Ca -0.07 -0.75 0.01 0.00 -0.00 0.00 0.00 55.06 54.25 1wyh s HIS 55 Cb -0.12 -2.73 -0.01 0.00 -0.00 0.00 0.00 32.58 29.71 1wyh s HIS 55 CO -0.05 -0.66 -0.14 0.71 -0.00 0.00 0.00 174.74 174.60 1wyh s TYR 56 N 1.65 2.77 1.05 1.40 2.02 -1.03 0.10 117.35 125.31 1wyh s TYR 56 Ca 0.04 -0.63 -0.12 0.00 -0.37 0.00 0.00 57.07 56.00 1wyh s TYR 56 Cb -0.20 -1.80 0.22 0.00 -0.40 0.00 0.00 41.96 39.77 1wyh s TYR 56 CO 0.09 -0.19 1.07 0.00 -1.57 0.00 0.00 175.55 174.95 1wyh n VAL 58 N -4.54 -0.38 0.08 0.00 0.31 -1.13 0.60 118.33 113.28 1wyh n VAL 58 Ca 0.06 1.60 -0.12 0.00 -0.01 0.00 0.00 64.34 65.87 1wyh n VAL 58 Cb 0.54 -2.08 -0.08 0.00 -0.91 0.00 0.00 33.84 31.31 1wyh n VAL 58 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1wyh h PRO 59 N 0.00 -0.24 0.00 5.55 0.13 -1.90 -0.33 132.00 135.21 1wyh h PRO 59 Ca 0.21 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 1wyh h PRO 59 Cb 0.37 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.56 1wyh h PRO 59 CO -0.66 0.15 0.29 0.00 -0.23 0.00 0.00 178.00 177.54 1wyh n TYR 61 N -2.76 0.61 0.32 0.00 9.36 0.20 -3.58 117.16 121.31 1wyh n TYR 61 Ca -0.02 0.26 0.21 0.00 3.32 0.00 0.00 57.90 61.67 1wyh n TYR 61 Cb 0.33 -0.91 1.03 0.00 -0.63 0.00 0.00 39.34 39.16 1wyh n TYR 61 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1wyh h GLU 62 N -1.00 0.00 0.15 2.98 5.08 -0.44 -0.49 114.58 120.86 1wyh h GLU 62 Ca -0.30 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 57.86 1wyh h GLU 62 Cb 1.14 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.42 1wyh h GLU 62 CO -0.18 0.00 -0.90 -0.97 -1.00 0.00 0.00 179.01 175.96 1wyh h ASN 63 N 0.00 0.50 0.56 1.42 -1.24 -0.49 -2.85 115.58 113.48 1wyh h ASN 63 Ca 0.00 -0.95 -0.14 0.00 0.71 0.00 0.00 56.30 55.92 1wyh h ASN 63 Cb 0.17 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 39.04 1wyh h ASN 63 CO 0.00 1.43 -0.65 0.07 -1.29 0.00 0.00 177.43 176.99 1wyh h LYS 64 N -0.33 0.08 -0.57 6.67 2.10 -1.50 -2.86 116.57 120.16 1wyh h LYS 64 Ca -0.16 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.43 1wyh h LYS 64 Cb 1.69 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 33.04 1wyh h LYS 64 CO 0.16 0.71 0.00 1.19 -2.00 0.00 0.00 179.45 179.50 1wyh n PHE 65 N -3.79 0.90 -4.12 0.07 3.01 -0.24 -4.90 117.46 108.39 1wyh n PHE 65 Ca -0.02 -0.37 -0.10 0.00 1.01 0.00 0.00 57.45 57.97 1wyh n PHE 65 Cb 0.65 -0.14 -0.09 0.00 -0.01 0.00 0.00 39.48 39.89 1wyh n PHE 65 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1wyh s ALA 66 N -1.66 0.70 0.08 4.37 0.00 -1.08 -5.00 121.76 119.18 1wyh s ALA 66 Ca 0.33 -1.39 -0.36 0.00 0.00 0.00 0.00 51.96 50.54 1wyh s ALA 66 Cb 0.20 1.09 -0.18 0.00 0.00 0.00 0.00 23.12 24.23 1wyh s ALA 66 CO 0.17 -0.60 1.03 -1.13 0.00 0.00 0.00 175.76 175.24 1wyh n SER 67 N -0.21 0.27 0.00 0.00 3.41 -1.26 -4.66 113.62 111.17 1wyh n SER 67 Ca -0.03 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.73 1wyh n SER 67 Cb 0.64 -1.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 1wyh n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wyh n GLY 68 N 1.83 -1.17 3.56 5.00 0.00 -1.26 -4.95 105.19 108.20 1wyh n GLY 68 Ca 0.19 0.64 -0.27 0.00 0.00 0.00 0.00 46.02 46.58 1wyh n GLY 68 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wyh s PRO 69 N 0.00 2.55 0.04 1.61 0.04 -1.26 -4.83 135.00 133.15 1wyh s PRO 69 Ca 0.00 -0.38 -0.32 0.00 0.04 0.00 0.00 61.00 60.34 1wyh s PRO 69 Cb 0.00 -5.08 -0.18 0.00 0.04 0.00 0.00 34.50 29.28 1wyh s PRO 69 CO 0.00 -3.44 1.34 1.03 0.04 0.00 0.00 177.00 175.97 1wyh h SER 70 N 11.12 -0.91 -3.40 6.66 0.87 -1.97 -3.43 113.55 122.48 1wyh h SER 70 Ca 0.11 0.02 -0.54 0.00 -1.23 0.00 0.00 61.79 60.15 1wyh h SER 70 Cb 1.00 0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 63.16 1wyh h SER 70 CO 1.21 -0.57 -0.14 -0.94 -0.53 0.00 0.00 176.83 175.86 1wyh s SER 71 N -4.31 6.62 0.00 6.23 1.04 -1.26 -5.27 113.70 116.75 1wyh s SER 71 Ca -0.17 0.89 0.09 0.00 0.48 0.00 0.00 55.95 57.24 1wyh s SER 71 Cb 0.02 -2.21 0.57 0.00 0.10 0.00 0.00 66.02 64.49 1wyh s SER 71 CO 0.52 -0.05 1.01 0.61 0.98 0.00 0.00 173.24 176.31