#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whk n SER 2 N 0.00 0.21 -4.35 1.61 7.64 -1.26 -4.97 113.62 112.50 1whk n SER 2 Ca 0.00 0.00 -0.45 0.00 1.01 0.00 0.00 58.87 59.43 1whk n SER 2 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1whk n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1whk s SER 3 N -4.57 7.12 -0.54 6.43 0.15 -1.26 -4.88 113.70 116.15 1whk s SER 3 Ca 0.00 -3.23 -0.02 0.00 0.70 0.00 0.00 55.95 53.40 1whk s SER 3 Cb 0.00 -2.23 0.28 0.00 -1.71 0.00 0.00 66.02 62.35 1whk s SER 3 CO 0.00 -0.44 2.18 0.61 1.20 0.00 0.00 173.24 176.80 1whk n GLY 4 N 3.28 4.94 3.95 9.45 0.00 -1.26 -4.95 105.19 120.60 1whk n GLY 4 Ca 0.22 -1.86 -0.19 0.00 0.00 0.00 0.00 46.02 44.19 1whk n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1whk s SER 5 N -0.62 5.44 0.00 1.61 0.15 -1.26 -5.08 113.70 113.94 1whk s SER 5 Ca 0.51 -0.52 -0.04 0.00 0.70 0.00 0.00 55.95 56.60 1whk s SER 5 Cb 0.39 -0.72 -0.01 0.00 -1.71 0.00 0.00 66.02 63.96 1whk s SER 5 CO -0.12 -0.65 -0.08 -0.24 1.20 0.00 0.00 173.24 173.35 1whk n SER 6 N -1.68 0.95 0.00 5.45 2.88 -1.26 -5.15 113.62 114.82 1whk n SER 6 Ca 0.05 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 1whk n SER 6 Cb 0.60 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 1whk n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1whk n GLY 7 N 2.79 1.08 0.14 0.46 0.00 -1.26 -5.03 105.19 103.37 1whk n GLY 7 Ca -0.03 -0.97 -0.23 0.00 0.00 0.00 0.00 46.02 44.79 1whk n GLY 7 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1whk h GLU 8 N 0.00 0.39 -3.24 1.61 5.08 -2.08 -3.49 114.58 112.85 1whk h GLU 8 Ca 0.00 -0.66 -0.01 0.00 -1.00 0.00 0.00 59.36 57.69 1whk h GLU 8 Cb 0.00 0.25 0.01 0.00 0.50 0.00 0.00 28.75 29.50 1whk h GLU 8 CO 0.00 1.32 -0.03 0.41 -1.00 0.00 0.00 179.01 179.71 1whk n GLY 9 N 1.81 -0.04 3.14 -3.84 0.00 -1.26 -5.07 105.19 99.92 1whk n GLY 9 Ca -0.23 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 1whk n GLY 9 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1whk s THR 10 N -3.01 1.90 -0.48 2.61 2.01 -1.26 -5.08 115.64 112.32 1whk s THR 10 Ca 0.01 -0.88 0.03 0.00 0.31 0.00 0.00 61.69 61.16 1whk s THR 10 Cb -0.00 -1.69 0.12 0.00 0.01 0.00 0.00 72.50 70.94 1whk s THR 10 CO 0.07 0.52 0.22 -0.69 -0.69 0.00 0.00 174.62 174.05 1whk s VAL 11 N 0.87 2.62 0.16 3.82 1.01 -1.26 -5.09 120.40 122.54 1whk s VAL 11 Ca -0.07 -3.02 -0.30 0.00 0.00 0.00 0.00 61.98 58.59 1whk s VAL 11 Cb -0.15 -2.84 -0.08 0.00 0.00 0.00 0.00 36.38 33.31 1whk s VAL 11 CO -0.02 -0.75 1.32 -0.54 0.00 0.00 0.00 175.10 175.11 1whk s LYS 12 N 0.06 4.37 -0.06 2.72 1.02 -1.26 -4.47 119.74 122.12 1whk s LYS 12 Ca 0.15 2.04 -0.05 0.00 0.02 0.00 0.00 55.97 58.13 1whk s LYS 12 Cb -0.24 -3.22 0.02 0.00 -0.52 0.00 0.00 37.83 33.87 1whk s LYS 12 CO -0.02 -0.31 0.09 1.28 -0.92 0.00 0.00 175.35 175.48 1whk n LEU 13 N 3.12 -6.49 0.00 3.17 4.32 -1.26 -5.01 117.00 114.85 1whk n LEU 13 Ca 0.08 2.69 -0.16 0.00 -0.02 0.00 0.00 56.01 58.60 1whk n LEU 13 Cb 0.43 -3.29 0.09 0.00 -1.62 0.00 0.00 43.42 39.04 1whk n LEU 13 CO 0.58 -3.39 0.42 1.41 -1.22 0.00 0.00 177.39 175.19 1whk n HIS 14 N 1.82 -3.46 -2.77 -1.77 8.25 -1.26 -4.92 115.22 111.11 1whk n HIS 14 Ca -0.16 -0.94 -0.42 0.00 -0.26 0.00 0.00 57.72 55.93 1whk n HIS 14 Cb 0.25 -0.52 -0.03 0.00 1.12 0.00 0.00 29.99 30.81 1whk n HIS 14 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1whk s GLU 15 N -4.34 4.23 0.00 -0.41 2.02 -1.26 -4.03 118.70 114.91 1whk s GLU 15 Ca 0.43 1.17 0.00 0.00 0.02 0.00 0.00 54.97 56.59 1whk s GLU 15 Cb -0.02 -3.64 0.00 0.00 0.10 0.00 0.00 34.13 30.57 1whk s GLU 15 CO 0.29 -0.56 0.00 0.41 0.02 0.00 0.00 175.26 175.42 1whk n GLY 16 N 3.51 0.50 3.52 -1.39 0.00 0.88 -5.02 105.19 107.19 1whk n GLY 16 Ca 0.09 -0.21 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 1whk n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1whk s SER 17 N -1.79 3.59 -0.24 1.61 0.01 -1.25 -4.88 113.70 110.76 1whk s SER 17 Ca 0.00 -1.19 -0.07 0.00 1.31 0.00 0.00 55.95 56.01 1whk s SER 17 Cb 0.00 -0.32 -0.02 0.00 0.21 0.00 0.00 66.02 65.88 1whk s SER 17 CO 0.00 -0.21 0.04 -1.10 0.41 0.00 0.00 173.24 172.39 1whk s GLN 18 N -3.62 3.61 0.21 12.44 -1.52 -1.26 -1.28 119.66 128.24 1whk s GLN 18 Ca 0.32 -0.51 0.04 0.00 -1.95 0.00 0.00 55.36 53.26 1whk s GLN 18 Cb 0.02 -3.25 -0.05 0.00 -0.22 0.00 0.00 33.01 29.51 1whk s GLN 18 CO 0.16 -0.17 -0.03 0.14 -0.25 0.00 0.00 175.29 175.13 1whk s VAL 19 N 1.53 1.13 0.19 1.09 -7.23 -1.02 -4.48 120.40 111.61 1whk s VAL 19 Ca 0.06 -2.05 0.11 0.00 -1.81 0.00 0.00 61.98 58.29 1whk s VAL 19 Cb -0.15 -2.22 -0.04 0.00 0.56 0.00 0.00 36.38 34.52 1whk s VAL 19 CO 0.02 -0.43 -0.24 -0.22 -0.31 0.00 0.00 175.10 173.92 1whk s LEU 20 N -3.28 2.43 -0.06 1.32 2.96 0.17 -1.43 118.68 120.78 1whk s LEU 20 Ca 0.25 -0.86 -0.06 0.00 -0.22 0.00 0.00 54.13 53.25 1whk s LEU 20 Cb 0.05 -1.16 -0.04 0.00 0.50 0.00 0.00 46.19 45.53 1whk s LEU 20 CO 0.07 0.12 0.18 -0.76 -1.32 0.00 0.00 176.35 174.64 1whk s LEU 21 N -2.63 4.38 -0.40 -0.68 1.43 -1.16 -2.08 118.68 117.55 1whk s LEU 21 Ca 0.20 0.45 0.05 0.00 -1.03 0.00 0.00 54.13 53.80 1whk s LEU 21 Cb -0.08 -2.36 0.64 0.00 0.03 0.00 0.00 46.19 44.43 1whk s LEU 21 CO 0.09 0.33 1.84 0.35 0.23 0.00 0.00 176.35 179.20 1whk n THR 22 N 1.49 3.01 0.00 5.49 -2.24 -1.23 -2.75 114.28 118.05 1whk n THR 22 Ca -0.15 -1.73 0.00 0.00 -2.27 0.00 0.00 64.05 59.89 1whk n THR 22 Cb 0.54 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 1whk n THR 22 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1whk n SER 23 N -0.85 0.38 -0.01 3.42 7.64 -1.26 -4.88 113.62 118.06 1whk n SER 23 Ca 0.52 0.00 0.09 0.00 1.01 0.00 0.00 58.87 60.49 1whk n SER 23 Cb 1.55 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 64.61 1whk n SER 23 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1whk n SER 24 N -2.38 0.87 -2.40 6.43 7.64 -1.26 -5.01 113.62 117.51 1whk n SER 24 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.74 1whk n SER 24 Cb 0.15 1.82 0.05 0.00 -1.01 0.00 0.00 64.21 65.22 1whk n SER 24 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1whk n ASN 25 N -2.13 -4.20 -4.11 6.43 5.15 -1.11 -5.03 115.26 110.25 1whk n ASN 25 Ca -0.03 -0.34 -0.24 0.00 -0.60 0.00 0.00 54.58 53.37 1whk n ASN 25 Cb 0.48 -3.27 -0.16 0.00 -0.53 0.00 0.00 39.78 36.30 1whk n ASN 25 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1whk s GLU 26 N -5.63 1.40 0.78 1.20 0.41 -1.26 -4.90 118.70 110.70 1whk s GLU 26 Ca 0.29 -0.53 -0.11 0.00 -0.41 0.00 0.00 54.97 54.22 1whk s GLU 26 Cb -0.13 -1.29 0.06 0.00 -1.78 0.00 0.00 34.13 30.99 1whk s GLU 26 CO 0.44 0.26 1.09 -1.64 -0.49 0.00 0.00 175.26 174.93 1whk s MET 27 N -0.12 2.21 -0.21 1.61 -1.94 -1.26 -2.97 119.30 116.61 1whk s MET 27 Ca 0.01 1.19 -0.24 0.00 -1.71 0.00 0.00 55.69 54.94 1whk s MET 27 Cb -0.08 -1.89 0.06 0.00 2.01 0.00 0.00 34.83 34.93 1whk s MET 27 CO 0.01 -1.68 0.65 0.00 -0.01 0.00 0.00 175.02 173.98 1whk s ALA 28 N -2.88 -1.62 -0.01 3.03 0.00 -0.52 -4.85 121.76 114.91 1whk s ALA 28 Ca 0.61 1.74 -0.22 0.00 0.00 0.00 0.00 51.96 54.10 1whk s ALA 28 Cb -0.17 -0.90 -0.05 0.00 0.00 0.00 0.00 23.12 21.99 1whk s ALA 28 CO 0.56 -0.32 0.64 0.99 0.00 0.00 0.00 175.76 177.63 1whk s THR 29 N 0.10 4.91 -0.14 0.00 2.01 -1.16 -2.43 115.64 118.94 1whk s THR 29 Ca -0.02 1.33 -0.27 0.00 0.31 0.00 0.00 61.69 63.05 1whk s THR 29 Cb -0.04 -3.98 -0.01 0.00 0.01 0.00 0.00 72.50 68.48 1whk s THR 29 CO 0.02 0.38 0.88 -0.69 -0.69 0.00 0.00 174.62 174.52 1whk s VAL 30 N 0.04 4.86 -0.12 3.82 1.01 -0.40 -0.21 120.40 129.40 1whk s VAL 30 Ca 0.33 1.76 -0.00 0.00 0.00 0.00 0.00 61.98 64.07 1whk s VAL 30 Cb -0.18 -4.19 -0.07 0.00 0.00 0.00 0.00 36.38 31.93 1whk s VAL 30 CO 0.18 0.03 -0.11 0.54 0.00 0.00 0.00 175.10 175.74 1whk n ARG 31 N 5.06 0.28 -4.18 2.72 5.12 -1.00 -0.09 116.66 124.58 1whk n ARG 31 Ca 0.06 0.07 -0.16 0.00 -1.93 0.00 0.00 57.85 55.89 1whk n ARG 31 Cb 0.49 -1.19 -0.11 0.00 -1.16 0.00 0.00 32.46 30.49 1whk n ARG 31 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 1whk s TYR 32 N -2.23 1.14 -0.16 -1.55 5.04 -1.23 -4.73 117.35 113.62 1whk s TYR 32 Ca -0.16 -0.58 -0.14 0.00 -2.44 0.00 0.00 57.07 53.75 1whk s TYR 32 Cb 0.04 -0.62 0.04 0.00 0.35 0.00 0.00 41.96 41.78 1whk s TYR 32 CO 0.26 0.04 0.43 0.08 -1.34 0.00 0.00 175.55 175.02 1whk s VAL 33 N -2.03 -0.00 -2.72 3.14 1.01 -1.26 -0.56 120.40 117.98 1whk s VAL 33 Ca 0.03 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.03 1whk s VAL 33 Cb -0.05 -0.61 0.00 0.00 0.00 0.00 0.00 36.38 35.72 1whk s VAL 33 CO 0.01 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.73 1whk n GLY 34 N 3.08 0.66 3.63 4.51 0.00 -1.07 -5.03 105.19 110.97 1whk n GLY 34 Ca -0.15 -1.95 -0.29 0.00 0.00 0.00 0.00 46.02 43.63 1whk n GLY 34 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1whk s PRO 35 N -1.09 -0.47 0.29 1.61 0.04 -1.25 -2.26 135.00 131.87 1whk s PRO 35 Ca 0.00 0.22 0.07 0.00 0.04 0.00 0.00 61.00 61.33 1whk s PRO 35 Cb 0.00 -1.66 -0.03 0.00 0.04 0.00 0.00 34.50 32.86 1whk s PRO 35 CO 0.00 -3.27 0.24 0.25 0.04 0.00 0.00 177.00 174.26 1whk n THR 36 N -4.50 0.00 -1.65 1.26 -2.24 -1.23 -4.83 114.28 101.08 1whk n THR 36 Ca 0.09 -2.13 0.01 0.00 -2.27 0.00 0.00 64.05 59.74 1whk n THR 36 Cb 0.58 1.06 0.18 0.00 -2.10 0.00 0.00 70.33 70.05 1whk n THR 36 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1whk n ASP 37 N -1.84 2.28 0.00 3.42 2.03 -1.26 -4.23 116.55 116.95 1whk n ASP 37 Ca 0.06 -3.88 0.00 0.00 0.52 0.00 0.00 54.79 51.50 1whk n ASP 37 Cb 0.53 -0.51 0.00 0.00 -0.72 0.00 0.00 41.12 40.42 1whk n ASP 37 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 1whk n PHE 38 N -1.06 -0.80 -0.02 -0.67 -1.74 -1.26 -4.83 117.46 107.09 1whk n PHE 38 Ca 0.24 0.00 -0.04 0.00 -0.56 0.00 0.00 57.45 57.09 1whk n PHE 38 Cb 0.76 0.35 -0.12 0.00 1.52 0.00 0.00 39.48 41.98 1whk n PHE 38 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1whk n ALA 39 N -2.20 1.80 -2.92 1.98 0.00 -1.26 -4.99 120.51 112.92 1whk n ALA 39 Ca 0.00 -0.79 -0.18 0.00 0.00 0.00 0.00 53.44 52.47 1whk n ALA 39 Cb 0.00 -0.72 0.03 0.00 0.00 0.00 0.00 19.45 18.76 1whk n ALA 39 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1whk n SER 40 N -2.83 -5.30 -0.36 0.00 2.88 -1.26 -4.98 113.62 101.76 1whk n SER 40 Ca -0.17 -0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.12 1whk n SER 40 Cb 0.95 -4.12 0.00 0.00 -0.75 0.00 0.00 64.21 60.28 1whk n SER 40 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1whk n GLY 41 N -1.42 4.83 3.42 0.46 0.00 -1.26 -4.89 105.19 106.32 1whk n GLY 41 Ca -0.08 -1.52 -0.44 0.00 0.00 0.00 0.00 46.02 43.97 1whk n GLY 41 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1whk s ILE 42 N -1.30 4.99 0.31 -0.61 1.01 -1.26 -3.56 121.20 120.78 1whk s ILE 42 Ca 0.00 -0.76 0.06 0.00 0.00 0.00 0.00 60.65 59.95 1whk s ILE 42 Cb 0.00 -4.27 -0.06 0.00 0.01 0.00 0.00 42.46 38.14 1whk s ILE 42 CO 0.00 -0.77 -0.00 0.26 0.00 0.00 0.00 174.94 174.42 1whk s TRP 43 N 2.29 2.03 -0.12 3.97 0.52 -0.96 -3.94 118.94 122.74 1whk s TRP 43 Ca 0.11 -0.80 -0.00 0.00 0.02 0.00 0.00 56.10 55.43 1whk s TRP 43 Cb -0.22 -1.27 0.02 0.00 -1.15 0.00 0.00 33.47 30.86 1whk s TRP 43 CO 0.09 0.19 -0.10 -0.51 0.02 0.00 0.00 176.95 176.65 1whk s LEU 44 N -3.50 1.35 -0.72 2.99 1.02 0.13 -2.61 118.68 117.35 1whk s LEU 44 Ca 0.33 -0.35 -0.21 0.00 0.02 0.00 0.00 54.13 53.92 1whk s LEU 44 Cb 0.07 -0.93 -0.16 0.00 0.02 0.00 0.00 46.19 45.18 1whk s LEU 44 CO 0.14 -0.09 1.91 0.61 0.02 0.00 0.00 176.35 178.94 1whk n GLY 45 N 4.81 2.47 3.71 -3.19 0.00 0.28 -3.21 105.19 110.06 1whk n GLY 45 Ca -0.14 -1.20 -0.34 0.00 0.00 0.00 0.00 46.02 44.34 1whk n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1whk s LEU 46 N 0.97 3.21 -0.21 0.99 1.43 0.92 -2.37 118.68 123.62 1whk s LEU 46 Ca 0.56 2.32 -0.04 0.00 -1.03 0.00 0.00 54.13 55.93 1whk s LEU 46 Cb 0.14 -4.58 0.08 0.00 0.03 0.00 0.00 46.19 41.86 1whk s LEU 46 CO 0.12 -2.44 0.16 -0.70 0.23 0.00 0.00 176.35 173.71 1whk s GLU 47 N -4.09 0.15 0.52 1.70 -6.30 0.71 -1.53 118.70 109.86 1whk s GLU 47 Ca 0.73 -0.06 -0.07 0.00 -2.50 0.00 0.00 54.97 53.07 1whk s GLU 47 Cb -0.28 -1.42 -0.04 0.00 0.00 0.00 0.00 34.13 32.39 1whk s GLU 47 CO 0.48 -0.75 0.86 -0.51 0.02 0.00 0.00 175.26 175.36 1whk s LEU 48 N 2.21 3.51 -0.54 2.70 1.43 0.88 -2.96 118.68 125.91 1whk s LEU 48 Ca 0.05 1.05 -0.00 0.00 -1.03 0.00 0.00 54.13 54.20 1whk s LEU 48 Cb -0.16 -4.03 0.46 0.00 0.03 0.00 0.00 46.19 42.50 1whk s LEU 48 CO -0.16 -0.67 1.97 -1.14 0.23 0.00 0.00 176.35 176.57 1whk n ARG 49 N -2.40 2.39 -3.60 1.70 0.63 -1.26 -4.56 116.66 109.56 1whk n ARG 49 Ca 0.02 -2.87 -0.09 0.00 -0.92 0.00 0.00 57.85 53.99 1whk n ARG 49 Cb 0.55 -2.13 -0.05 0.00 0.45 0.00 0.00 32.46 31.28 1whk n ARG 49 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1whk s SER 50 N -1.32 -0.33 -0.66 6.15 0.01 -1.26 -5.10 113.70 111.19 1whk s SER 50 Ca 0.56 0.42 -0.26 0.00 1.31 0.00 0.00 55.95 57.98 1whk s SER 50 Cb 0.45 0.34 -0.05 0.00 0.21 0.00 0.00 66.02 66.98 1whk s SER 50 CO 0.02 -0.27 2.05 0.00 0.41 0.00 0.00 173.24 175.45 1whk s ALA 51 N -0.87 1.81 -0.17 1.44 0.00 -1.26 -4.50 121.76 118.21 1whk s ALA 51 Ca 0.00 -0.69 0.06 0.00 0.00 0.00 0.00 51.96 51.33 1whk s ALA 51 Cb -0.01 -4.39 0.20 0.00 0.00 0.00 0.00 23.12 18.92 1whk s ALA 51 CO -0.01 -4.40 1.19 1.63 0.00 0.00 0.00 175.76 174.17 1whk n LYS 52 N 9.05 0.67 0.00 0.00 5.02 -0.22 -5.00 118.16 127.69 1whk n LYS 52 Ca 0.30 -1.00 0.00 0.00 -2.02 0.00 0.00 58.31 55.60 1whk n LYS 52 Cb 0.51 0.44 0.00 0.00 -0.02 0.00 0.00 35.03 35.96 1whk n LYS 52 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1whk n GLY 53 N -0.77 5.15 1.53 0.72 0.00 -0.70 -4.98 105.19 106.14 1whk n GLY 53 Ca -0.20 -1.64 -0.00 0.00 0.00 0.00 0.00 46.02 44.18 1whk n GLY 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1whk n LYS 54 N 0.00 0.24 -3.58 1.61 5.02 -1.25 -4.87 118.16 115.33 1whk n LYS 54 Ca 0.00 -1.78 -0.15 0.00 -2.02 0.00 0.00 58.31 54.36 1whk n LYS 54 Cb 0.00 0.03 -0.06 0.00 -0.02 0.00 0.00 35.03 34.98 1whk n LYS 54 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1whk s ASN 55 N -1.80 -0.48 -0.04 4.39 0.01 -1.23 -4.97 114.94 110.82 1whk s ASN 55 Ca 0.21 0.33 0.09 0.00 -0.71 0.00 0.00 52.86 52.78 1whk s ASN 55 Cb 0.26 0.49 -0.24 0.00 0.41 0.00 0.00 41.25 42.17 1whk s ASN 55 CO -0.10 -0.66 0.67 -2.24 -1.51 0.00 0.00 177.10 173.26 1whk h ASP 56 N 2.97 0.07 0.00 -1.22 3.04 -1.85 0.53 116.42 119.96 1whk h ASP 56 Ca -0.30 -0.15 0.00 0.00 -3.24 0.00 0.00 57.03 53.34 1whk h ASP 56 Cb 1.19 -0.02 0.00 0.00 -1.04 0.00 0.00 39.33 39.45 1whk h ASP 56 CO 0.40 1.13 0.00 0.61 -2.04 0.00 0.00 179.24 179.35 1whk n GLY 57 N 1.60 0.43 3.31 7.15 0.00 -1.26 -3.59 105.19 112.82 1whk n GLY 57 Ca -0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 1whk n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1whk s ALA 58 N 0.00 1.90 -0.06 4.61 0.00 -1.26 -2.16 121.76 124.79 1whk s ALA 58 Ca 0.00 -1.37 0.01 0.00 0.00 0.00 0.00 51.96 50.60 1whk s ALA 58 Cb 0.00 -0.21 0.02 0.00 0.00 0.00 0.00 23.12 22.93 1whk s ALA 58 CO 0.00 0.30 -0.06 0.08 0.00 0.00 0.00 175.76 176.08 1whk s VAL 59 N -1.61 0.72 0.00 0.00 1.01 -0.82 -5.01 120.40 114.69 1whk s VAL 59 Ca 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.90 1whk s VAL 59 Cb -0.08 -0.73 0.00 0.00 0.00 0.00 0.00 36.38 35.57 1whk s VAL 59 CO 0.05 0.28 0.00 0.61 0.00 0.00 0.00 175.10 176.04 1whk n GLY 60 N 4.27 3.23 1.58 4.51 0.00 -1.26 -2.25 105.19 115.27 1whk n GLY 60 Ca -0.20 -0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.54 1whk n GLY 60 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1whk n ASP 61 N 6.21 2.95 -3.94 1.61 9.92 -1.26 -4.97 116.55 127.08 1whk n ASP 61 Ca 0.00 -3.72 -0.09 0.00 -0.53 0.00 0.00 54.79 50.44 1whk n ASP 61 Cb 0.00 -0.72 -0.09 0.00 -0.64 0.00 0.00 41.12 39.67 1whk n ASP 61 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1whk s LYS 62 N -3.27 0.58 0.25 -1.24 2.20 -0.95 -5.12 119.74 112.18 1whk s LYS 62 Ca 0.49 -0.78 0.08 0.00 -0.36 0.00 0.00 55.97 55.40 1whk s LYS 62 Cb 0.44 0.22 -0.04 0.00 -1.51 0.00 0.00 37.83 36.94 1whk s LYS 62 CO 0.04 -0.14 0.15 0.50 -0.36 0.00 0.00 175.35 175.54 1whk s ARG 63 N -2.65 2.79 0.00 4.03 6.06 -1.26 -1.95 118.95 125.97 1whk s ARG 63 Ca -0.05 -1.13 0.00 0.00 -2.50 0.00 0.00 55.73 52.06 1whk s ARG 63 Cb -0.01 -2.48 0.00 0.00 0.06 0.00 0.00 34.95 32.52 1whk s ARG 63 CO -0.05 0.40 0.00 0.66 -2.50 0.00 0.00 175.30 173.81 1whk n TYR 64 N -1.09 0.00 -4.04 5.12 4.01 -1.22 -4.93 117.16 115.01 1whk n TYR 64 Ca -0.08 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.52 1whk n TYR 64 Cb 0.58 0.40 -0.03 0.00 -0.31 0.00 0.00 39.34 39.99 1whk n TYR 64 CO 0.00 0.00 0.00 -0.59 -0.46 0.00 0.00 176.86 175.81 1whk s PHE 65 N -1.82 0.93 -0.05 -0.72 -0.71 -0.92 -4.10 117.98 110.60 1whk s PHE 65 Ca 0.00 -1.24 -0.01 0.00 -1.04 0.00 0.00 56.93 54.65 1whk s PHE 65 Cb 0.00 0.07 0.03 0.00 -1.21 0.00 0.00 43.02 41.91 1whk s PHE 65 CO 0.00 -1.23 -0.00 -0.08 -1.34 0.00 0.00 175.22 172.57 1whk s THR 66 N -2.86 0.32 0.17 -4.49 -1.32 -1.26 -4.27 115.64 101.93 1whk s THR 66 Ca 0.28 0.10 -0.17 0.00 -1.21 0.00 0.00 61.69 60.69 1whk s THR 66 Cb -0.01 -0.44 0.06 0.00 -1.51 0.00 0.00 72.50 70.59 1whk s THR 66 CO 0.19 0.22 0.82 0.00 -2.21 0.00 0.00 174.62 173.65 1whk s LYS 68 N -2.05 -0.58 0.01 0.00 1.02 -1.26 -4.67 119.74 112.22 1whk s LYS 68 Ca 0.18 0.28 -0.31 0.00 0.02 0.00 0.00 55.97 56.15 1whk s LYS 68 Cb -0.03 -1.64 -0.09 0.00 -0.52 0.00 0.00 37.83 35.55 1whk s LYS 68 CO 0.05 -3.36 1.97 -2.30 -0.92 0.00 0.00 175.35 170.79 1whk n PRO 69 N -4.57 2.76 -3.30 -1.68 -0.02 -1.26 -2.42 135.00 124.50 1whk n PRO 69 Ca 0.08 1.01 -0.16 0.00 -2.02 0.00 0.00 63.50 62.41 1whk n PRO 69 Cb 0.58 -2.97 0.08 0.00 -0.02 0.00 0.00 33.50 31.18 1whk n PRO 69 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1whk n ASN 70 N 7.52 -2.18 -0.06 2.55 3.02 0.16 -4.77 115.26 121.49 1whk n ASN 70 Ca 0.21 -0.57 -0.06 0.00 -0.03 0.00 0.00 54.58 54.12 1whk n ASN 70 Cb 0.39 -4.74 -0.09 0.00 -0.61 0.00 0.00 39.78 34.74 1whk n ASN 70 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1whk n TYR 71 N -3.84 0.00 -4.43 3.10 4.02 -1.01 -1.05 117.16 113.94 1whk n TYR 71 Ca -0.26 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.39 1whk n TYR 71 Cb 0.65 -0.56 -0.09 0.00 -0.02 0.00 0.00 39.34 39.32 1whk n TYR 71 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1whk s GLY 72 N -4.55 1.89 0.18 2.72 0.00 -1.25 -0.08 107.32 106.22 1whk s GLY 72 Ca -0.08 -1.87 -0.00 0.00 0.00 0.00 0.00 44.72 42.77 1whk s GLY 72 CO 0.44 -1.92 0.08 -1.34 0.00 0.00 0.00 173.10 170.35 1whk s VAL 73 N -2.49 0.23 -0.18 1.40 -7.23 -0.58 -3.50 120.40 108.04 1whk s VAL 73 Ca 0.31 -1.96 0.00 0.00 -1.81 0.00 0.00 61.98 58.52 1whk s VAL 73 Cb -0.04 -2.28 0.04 0.00 0.56 0.00 0.00 36.38 34.66 1whk s VAL 73 CO 0.16 -0.26 -0.10 -0.76 -0.31 0.00 0.00 175.10 173.84 1whk s LEU 74 N -3.14 2.00 0.36 1.32 1.02 -1.26 -0.06 118.68 118.92 1whk s LEU 74 Ca 0.30 -0.76 0.03 0.00 0.02 0.00 0.00 54.13 53.73 1whk s LEU 74 Cb 0.07 -1.14 -0.04 0.00 0.02 0.00 0.00 46.19 45.10 1whk s LEU 74 CO 0.07 -0.14 0.10 0.68 0.02 0.00 0.00 176.35 177.08 1whk s VAL 75 N 1.48 0.81 0.16 -1.59 -7.23 -1.20 -4.85 120.40 107.98 1whk s VAL 75 Ca 0.00 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.06 1whk s VAL 75 Cb -0.15 -2.56 -0.07 0.00 0.56 0.00 0.00 36.38 34.16 1whk s VAL 75 CO -0.08 0.00 0.51 -0.13 -0.31 0.00 0.00 175.10 175.08 1whk s ARG 76 N -3.82 3.85 0.21 4.82 0.52 -1.26 0.17 118.95 123.44 1whk s ARG 76 Ca 0.31 0.31 -0.14 0.00 -0.52 0.00 0.00 55.73 55.68 1whk s ARG 76 Cb 0.06 -2.84 0.24 0.00 0.52 0.00 0.00 34.95 32.93 1whk s ARG 76 CO 0.15 0.44 1.61 -1.35 0.02 0.00 0.00 175.30 176.17 1whk h PRO 77 N 3.18 -0.03 -0.15 3.54 0.11 -1.89 1.55 132.00 138.31 1whk h PRO 77 Ca -0.48 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.68 1whk h PRO 77 Cb 1.18 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1whk h PRO 77 CO 0.68 -0.02 0.22 0.66 -0.21 0.00 0.00 178.00 179.33 1whk h SER 78 N -0.03 0.00 0.77 -2.05 4.64 -1.94 0.97 113.55 115.91 1whk h SER 78 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1whk h SER 78 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1whk h SER 78 CO -0.70 0.00 -0.37 0.54 -0.87 0.00 0.00 176.83 175.43 1whk n ARG 79 N -3.56 0.08 -4.49 4.77 5.12 0.52 -4.89 116.66 114.21 1whk n ARG 79 Ca 0.01 0.03 -0.24 0.00 -1.93 0.00 0.00 57.85 55.72 1whk n ARG 79 Cb 0.33 -1.56 -0.10 0.00 -1.16 0.00 0.00 32.46 29.97 1whk n ARG 79 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1whk s VAL 80 N -3.04 2.06 0.12 1.55 -7.23 0.33 -3.48 120.40 110.71 1whk s VAL 80 Ca 0.11 -2.20 -0.14 0.00 -1.81 0.00 0.00 61.98 57.93 1whk s VAL 80 Cb 0.17 -2.53 0.03 0.00 0.56 0.00 0.00 36.38 34.60 1whk s VAL 80 CO 0.65 -0.27 0.35 0.42 -0.31 0.00 0.00 175.10 175.95 1whk s THR 81 N -2.74 0.09 0.09 5.32 -4.23 -0.88 -4.85 115.64 108.44 1whk s THR 81 Ca 0.31 -0.72 -0.06 0.00 -1.18 0.00 0.00 61.69 60.04 1whk s THR 81 Cb 0.02 -1.21 0.02 0.00 1.34 0.00 0.00 72.50 72.67 1whk s THR 81 CO 0.15 -0.39 0.28 0.00 -0.54 0.00 0.00 174.62 174.11 1whk n TYR 82 N -0.19 -1.14 -3.86 3.99 4.11 -1.26 0.43 117.16 119.25 1whk n TYR 82 Ca -0.16 -0.49 -0.15 0.00 -0.00 0.00 0.00 57.90 57.10 1whk n TYR 82 Cb 0.63 0.24 -0.16 0.00 -0.00 0.00 0.00 39.34 40.06 1whk n TYR 82 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.86 177.36 1whk s ARG 83 N -2.02 0.10 0.00 -3.48 3.52 -1.26 -5.07 118.95 110.74 1whk s ARG 83 Ca 0.06 0.10 0.00 0.00 -0.13 0.00 0.00 55.73 55.76 1whk s ARG 83 Cb -0.01 -0.29 0.00 0.00 -1.56 0.00 0.00 34.95 33.09 1whk s ARG 83 CO 0.03 -0.12 0.00 0.41 -0.81 0.00 0.00 175.30 174.81 1whk n GLY 84 N 3.93 3.78 3.23 8.12 0.00 -1.26 -4.84 105.19 118.14 1whk n GLY 84 Ca -0.24 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.12 1whk n GLY 84 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1whk n ILE 85 N -0.95 2.21 -2.38 -0.61 -5.35 -1.26 -4.16 119.36 106.86 1whk n ILE 85 Ca 0.00 -2.07 -0.12 0.00 -0.27 0.00 0.00 62.75 60.28 1whk n ILE 85 Cb 0.00 -2.32 -0.01 0.00 -1.74 0.00 0.00 39.64 35.58 1whk n ILE 85 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1whk n SER 86 N 9.29 -3.85 -3.62 7.28 3.41 -1.26 -4.90 113.62 119.97 1whk n SER 86 Ca 0.49 0.20 -0.10 0.00 -0.26 0.00 0.00 58.87 59.20 1whk n SER 86 Cb 0.42 -3.29 -0.07 0.00 -0.26 0.00 0.00 64.21 61.02 1whk n SER 86 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1whk s GLY 87 N -2.03 -0.18 -0.50 5.00 0.00 -1.26 -5.02 107.32 103.34 1whk s GLY 87 Ca 0.00 2.52 -0.28 0.00 0.00 0.00 0.00 44.72 46.96 1whk s GLY 87 CO 0.00 1.64 1.43 2.56 0.00 0.00 0.00 173.10 178.73 1whk s PRO 88 N -0.10 3.39 -0.09 2.90 0.04 -1.26 -4.50 135.00 135.39 1whk s PRO 88 Ca 0.02 0.67 -0.07 0.00 0.04 0.00 0.00 61.00 61.66 1whk s PRO 88 Cb -0.04 -4.09 0.03 0.00 0.04 0.00 0.00 34.50 30.44 1whk s PRO 88 CO -0.04 -1.81 0.13 -1.13 0.04 0.00 0.00 177.00 174.19 1whk n SER 89 N 9.37 -3.95 -1.45 6.66 3.41 -1.26 -4.87 113.62 121.52 1whk n SER 89 Ca 0.14 1.47 0.18 0.00 -0.26 0.00 0.00 58.87 60.40 1whk n SER 89 Cb 0.49 -4.68 -0.08 0.00 -0.26 0.00 0.00 64.21 59.67 1whk n SER 89 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1whk n SER 90 N 1.87 -8.13 0.00 4.04 2.88 -1.26 -5.14 113.62 107.88 1whk n SER 90 Ca -0.23 1.29 0.00 0.00 -1.33 0.00 0.00 58.87 58.60 1whk n SER 90 Cb 0.35 -4.88 0.00 0.00 -0.75 0.00 0.00 64.21 58.93 1whk n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42