#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 1.19 -3.55 1.61 7.64 -1.26 -4.52 113.62 114.72 1whk n SER 2 Ca 0.00 -0.01 -0.14 0.00 1.01 0.00 0.00 58.87 59.73 1whk n SER 2 Cb 0.00 0.09 -0.12 0.00 -1.01 0.00 0.00 64.21 63.17 1whk n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1whk s SER 3 N -6.16 0.61 0.00 6.43 1.04 -1.26 -4.93 113.70 109.43 1whk s SER 3 Ca -0.22 0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.51 1whk s SER 3 Cb 0.08 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.92 1whk s SER 3 CO 0.72 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 175.27 1whk n GLY 4 N 5.35 0.96 3.74 7.32 0.00 -1.26 -5.00 105.19 116.29 1whk n GLY 4 Ca -0.06 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 1whk n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1whk s SER 5 N -4.00 7.06 0.64 1.61 0.01 -1.26 -4.80 113.70 112.96 1whk s SER 5 Ca 0.00 2.28 0.00 0.00 1.31 0.00 0.00 55.95 59.54 1whk s SER 5 Cb 0.00 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.62 1whk s SER 5 CO 0.00 -0.38 0.00 -0.24 0.41 0.00 0.00 173.24 173.03 1whk n SER 6 N 2.36 -8.06 -1.11 2.44 2.88 -1.26 -4.25 113.62 106.61 1whk n SER 6 Ca 0.04 1.49 0.05 0.00 -1.33 0.00 0.00 58.87 59.12 1whk n SER 6 Cb 0.44 -5.09 -0.01 0.00 -0.75 0.00 0.00 64.21 58.80 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 -4.40 -1.20 1.48 0.46 0.00 -1.26 -4.71 105.19 95.55 1whk n GLY 7 Ca -0.10 -1.04 0.18 0.00 0.00 0.00 0.00 46.02 45.07 1whk n GLY 7 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1whk n GLU 8 N -2.59 -3.38 0.00 1.61 2.13 -1.26 -4.93 120.64 112.23 1whk n GLU 8 Ca 0.00 2.71 0.00 0.00 0.66 0.00 0.00 57.16 60.54 1whk n GLU 8 Cb 0.18 -3.96 0.00 0.00 0.27 0.00 0.00 31.44 27.93 1whk n GLU 8 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1whk n GLY 9 N -4.39 -0.79 7.00 8.31 0.00 -1.26 -5.14 105.19 108.92 1whk n GLY 9 Ca -0.08 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1whk n GLY 9 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1whk n THR 10 N 0.00 0.00 -0.01 2.61 5.66 -1.26 -4.42 114.28 116.86 1whk n THR 10 Ca 0.00 0.00 0.09 0.00 -3.05 0.00 0.00 64.05 61.09 1whk n THR 10 Cb 0.00 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 68.63 1whk n THR 10 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1whk n VAL 11 N -0.36 0.06 -1.43 1.08 0.31 -1.26 -5.10 118.33 111.62 1whk n VAL 11 Ca 0.00 -0.47 0.00 0.00 -0.01 0.00 0.00 64.34 63.86 1whk n VAL 11 Cb 0.00 0.02 0.00 0.00 -0.91 0.00 0.00 33.84 32.95 1whk n VAL 11 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1whk n LYS 12 N -2.21 -3.99 -3.42 5.55 5.02 -1.26 -4.99 118.16 112.87 1whk n LYS 12 Ca -0.05 3.02 -0.21 0.00 -2.02 0.00 0.00 58.31 59.05 1whk n LYS 12 Cb 0.54 -3.52 -0.00 0.00 -0.02 0.00 0.00 35.03 32.03 1whk n LYS 12 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1whk s LEU 13 N -3.95 3.95 0.11 -0.35 1.43 -1.26 -5.13 118.68 113.48 1whk s LEU 13 Ca 0.00 0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.20 1whk s LEU 13 Cb 0.00 -2.95 -0.04 0.00 0.03 0.00 0.00 46.19 43.23 1whk s LEU 13 CO 0.00 -0.43 -0.10 -2.28 0.23 0.00 0.00 176.35 173.77 1whk s HIS 14 N -2.26 1.11 -0.34 0.29 2.46 -1.26 -5.08 115.29 110.21 1whk s HIS 14 Ca 0.43 -0.70 -0.28 0.00 0.47 0.00 0.00 55.06 54.98 1whk s HIS 14 Cb -0.10 -0.60 -0.02 0.00 -0.13 0.00 0.00 32.58 31.73 1whk s HIS 14 CO 0.33 0.01 1.89 -1.21 -2.47 0.00 0.00 174.74 173.29 1whk s GLU 15 N -3.14 3.20 0.00 2.88 2.02 -1.26 -2.54 118.70 119.86 1whk s GLU 15 Ca 0.09 1.45 0.00 0.00 0.02 0.00 0.00 54.97 56.53 1whk s GLU 15 Cb -0.01 -4.25 0.00 0.00 0.10 0.00 0.00 34.13 29.97 1whk s GLU 15 CO -0.00 -2.02 0.00 0.41 0.02 0.00 0.00 175.26 173.67 1whk n GLY 16 N 5.51 1.98 3.94 -1.39 0.00 -0.79 -5.03 105.19 109.41 1whk n GLY 16 Ca 0.24 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.02 1whk n GLY 16 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1whk s SER 17 N -2.00 5.82 -0.33 1.61 0.15 -1.05 -4.80 113.70 113.09 1whk s SER 17 Ca 0.00 0.48 -0.04 0.00 0.70 0.00 0.00 55.95 57.09 1whk s SER 17 Cb 0.00 -1.67 0.05 0.00 -1.71 0.00 0.00 66.02 62.69 1whk s SER 17 CO 0.00 -0.78 0.07 -1.10 1.20 0.00 0.00 173.24 172.63 1whk s GLN 18 N -4.69 2.45 0.38 5.44 -1.52 -1.26 -2.00 119.66 118.45 1whk s GLN 18 Ca 0.49 -1.31 0.08 0.00 -1.95 0.00 0.00 55.36 52.68 1whk s GLN 18 Cb -0.10 -3.35 -0.07 0.00 -0.22 0.00 0.00 33.01 29.27 1whk s GLN 18 CO 0.41 -0.70 -0.02 0.14 -0.25 0.00 0.00 175.29 174.86 1whk s VAL 19 N 1.30 2.16 -0.02 1.09 -7.23 -1.13 -4.56 120.40 112.01 1whk s VAL 19 Ca -0.02 -2.06 0.03 0.00 -1.81 0.00 0.00 61.98 58.11 1whk s VAL 19 Cb -0.20 -2.85 0.00 0.00 0.56 0.00 0.00 36.38 33.89 1whk s VAL 19 CO 0.00 -0.09 -0.09 -0.22 -0.31 0.00 0.00 175.10 174.39 1whk s LEU 20 N -3.68 1.85 0.56 1.32 2.96 0.12 -1.60 118.68 120.21 1whk s LEU 20 Ca 0.34 -0.18 -0.18 0.00 -0.22 0.00 0.00 54.13 53.89 1whk s LEU 20 Cb 0.06 -0.53 -0.05 0.00 0.50 0.00 0.00 46.19 46.17 1whk s LEU 20 CO 0.18 0.08 1.08 -0.76 -1.32 0.00 0.00 176.35 175.60 1whk s LEU 21 N 0.07 3.64 -0.42 -0.68 1.43 -1.03 -1.69 118.68 120.00 1whk s LEU 21 Ca -0.01 1.96 0.05 0.00 -1.03 0.00 0.00 54.13 55.09 1whk s LEU 21 Cb -0.07 -4.55 0.55 0.00 0.03 0.00 0.00 46.19 42.15 1whk s LEU 21 CO 0.00 -1.13 1.71 0.35 0.23 0.00 0.00 176.35 177.51 1whk n THR 22 N -1.61 2.98 0.00 5.49 -2.24 -0.81 -3.63 114.28 114.47 1whk n THR 22 Ca 0.10 -2.63 0.00 0.00 -2.27 0.00 0.00 64.05 59.25 1whk n THR 22 Cb 0.52 -0.60 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 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 -1.06 0.00 0.04 3.42 7.64 -1.26 -4.89 113.62 117.51 1whk n SER 23 Ca 0.49 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.48 1whk n SER 23 Cb 1.19 0.06 -0.07 0.00 -1.01 0.00 0.00 64.21 64.38 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 -2.26 0.46 -2.25 6.43 7.64 -1.26 -4.99 113.62 117.39 1whk n SER 24 Ca 0.00 0.10 -0.15 0.00 1.01 0.00 0.00 58.87 59.83 1whk n SER 24 Cb 0.00 1.17 0.04 0.00 -1.01 0.00 0.00 64.21 64.41 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 -2.39 -4.63 -4.13 6.43 5.15 -1.24 -5.02 115.26 109.43 1whk n ASN 25 Ca -0.01 -0.27 -0.26 0.00 -0.60 0.00 0.00 54.58 53.43 1whk n ASN 25 Cb 0.54 -3.34 -0.16 0.00 -0.53 0.00 0.00 39.78 36.29 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 -5.58 1.88 0.62 1.20 0.41 -1.26 -4.93 118.70 111.04 1whk s GLU 26 Ca 0.29 -0.61 -0.12 0.00 -0.41 0.00 0.00 54.97 54.12 1whk s GLU 26 Cb -0.13 -1.60 -0.03 0.00 -1.78 0.00 0.00 34.13 30.59 1whk s GLU 26 CO 0.36 0.22 1.03 -1.64 -0.49 0.00 0.00 175.26 174.74 1whk s MET 27 N 0.13 3.44 -0.05 1.61 -1.94 -1.26 -2.47 119.30 118.76 1whk s MET 27 Ca -0.06 0.88 -0.25 0.00 -1.71 0.00 0.00 55.69 54.55 1whk s MET 27 Cb -0.13 -2.06 0.05 0.00 2.01 0.00 0.00 34.83 34.71 1whk s MET 27 CO 0.03 -0.70 0.56 0.00 -0.01 0.00 0.00 175.02 174.90 1whk s ALA 28 N -2.99 -1.45 0.17 3.03 0.00 -0.63 -4.96 121.76 114.94 1whk s ALA 28 Ca 0.57 1.03 -0.20 0.00 0.00 0.00 0.00 51.96 53.36 1whk s ALA 28 Cb -0.12 -0.02 -0.08 0.00 0.00 0.00 0.00 23.12 22.90 1whk s ALA 28 CO 0.49 -0.33 0.68 0.99 0.00 0.00 0.00 175.76 177.59 1whk s THR 29 N -1.16 4.59 0.02 0.00 2.01 -1.25 -2.81 115.64 117.04 1whk s THR 29 Ca -0.11 1.31 -0.23 0.00 0.31 0.00 0.00 61.69 62.96 1whk s THR 29 Cb -0.02 -3.91 -0.05 0.00 0.01 0.00 0.00 72.50 68.52 1whk s THR 29 CO 0.08 0.36 0.71 -0.69 -0.69 0.00 0.00 174.62 174.38 1whk s VAL 30 N -1.34 4.80 -0.04 3.82 1.01 -0.85 -2.26 120.40 125.54 1whk s VAL 30 Ca 0.38 1.50 0.00 0.00 0.00 0.00 0.00 61.98 63.86 1whk s VAL 30 Cb -0.18 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 1whk s VAL 30 CO 0.21 0.38 -0.04 0.54 0.00 0.00 0.00 175.10 176.20 1whk n ARG 31 N 2.82 0.10 -4.05 2.72 5.12 0.21 -1.88 116.66 121.69 1whk n ARG 31 Ca -0.04 0.02 -0.10 0.00 -1.93 0.00 0.00 57.85 55.81 1whk n ARG 31 Cb 0.50 -1.08 -0.11 0.00 -1.16 0.00 0.00 32.46 30.62 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 -2.08 0.50 -0.12 -1.55 5.04 -1.20 -4.85 117.35 113.09 1whk s TYR 32 Ca -0.05 -0.71 -0.06 0.00 -2.44 0.00 0.00 57.07 53.81 1whk s TYR 32 Cb 0.01 -0.33 0.05 0.00 0.35 0.00 0.00 41.96 42.05 1whk s TYR 32 CO 0.09 -0.21 0.28 0.08 -1.34 0.00 0.00 175.55 174.45 1whk s VAL 33 N -2.36 -0.13 0.00 3.14 1.01 -1.26 -0.97 120.40 119.83 1whk s VAL 33 Ca -0.05 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.10 1whk s VAL 33 Cb -0.03 -0.43 0.00 0.00 0.00 0.00 0.00 36.38 35.91 1whk s VAL 33 CO -0.03 0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.74 1whk n GLY 34 N 4.50 1.20 3.27 4.51 0.00 -1.16 -5.05 105.19 112.47 1whk n GLY 34 Ca -0.21 -1.89 -0.32 0.00 0.00 0.00 0.00 46.02 43.60 1whk n GLY 34 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1whk n PRO 35 N -1.95 -1.74 -2.80 1.61 -0.02 -1.25 -3.14 135.00 125.71 1whk n PRO 35 Ca 0.00 -0.49 -0.10 0.00 -2.02 0.00 0.00 63.50 60.89 1whk n PRO 35 Cb 0.00 -1.70 -0.02 0.00 -0.02 0.00 0.00 33.50 31.76 1whk n PRO 35 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1whk n THR 36 N -4.49 0.00 -0.08 3.45 -2.24 -1.26 -4.83 114.28 104.83 1whk n THR 36 Ca 0.01 -0.73 -0.09 0.00 -2.27 0.00 0.00 64.05 60.97 1whk n THR 36 Cb 0.61 0.17 -0.12 0.00 -2.10 0.00 0.00 70.33 68.89 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 -1.24 1.21 -0.02 3.42 2.03 -1.26 -4.56 116.55 116.13 1whk n ASP 37 Ca -0.06 -0.01 -0.10 0.00 0.52 0.00 0.00 54.79 55.14 1whk n ASP 37 Cb 0.20 0.77 -0.14 0.00 -0.72 0.00 0.00 41.12 41.22 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 -2.64 0.95 -3.61 -0.67 1.16 -1.26 -4.96 117.46 106.43 1whk n PHE 38 Ca -0.27 0.32 -0.24 0.00 -1.87 0.00 0.00 57.45 55.39 1whk n PHE 38 Cb 1.01 -1.17 0.01 0.00 -1.61 0.00 0.00 39.48 37.72 1whk n PHE 38 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1whk s ALA 39 N -2.58 4.51 -0.43 1.98 0.00 -1.26 -5.08 121.76 118.89 1whk s ALA 39 Ca -0.08 -1.55 0.10 0.00 0.00 0.00 0.00 51.96 50.43 1whk s ALA 39 Cb 0.08 -0.97 0.35 0.00 0.00 0.00 0.00 23.12 22.58 1whk s ALA 39 CO 0.82 -0.57 0.81 0.43 0.00 0.00 0.00 175.76 177.25 1whk n SER 40 N -1.91 2.05 0.00 0.00 7.64 -1.26 -4.31 113.62 115.83 1whk n SER 40 Ca 0.04 -3.22 0.00 0.00 1.01 0.00 0.00 58.87 56.70 1whk n SER 40 Cb 0.63 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 1whk n SER 40 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1whk n GLY 41 N 0.09 3.56 2.69 0.23 0.00 -1.26 -5.05 105.19 105.45 1whk n GLY 41 Ca 0.27 -0.17 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 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 1.97 -0.15 0.37 -0.61 1.09 -1.26 -3.75 121.20 118.85 1whk s ILE 42 Ca 0.00 0.19 0.06 0.00 -1.10 0.00 0.00 60.65 59.80 1whk s ILE 42 Cb 0.00 -0.35 -0.07 0.00 -1.06 0.00 0.00 42.46 40.98 1whk s ILE 42 CO 0.00 0.00 0.02 0.26 -0.10 0.00 0.00 174.94 175.13 1whk s TRP 43 N 2.20 2.26 -0.10 3.97 0.52 -1.19 -4.34 118.94 122.26 1whk s TRP 43 Ca 0.04 -0.79 0.02 0.00 0.02 0.00 0.00 56.10 55.39 1whk s TRP 43 Cb -0.14 -1.53 0.01 0.00 -1.15 0.00 0.00 33.47 30.67 1whk s TRP 43 CO -0.06 0.26 -0.15 -0.51 0.02 0.00 0.00 176.95 176.51 1whk s LEU 44 N -3.60 1.72 -1.14 2.99 1.43 -0.04 -2.97 118.68 117.07 1whk s LEU 44 Ca 0.35 -0.41 -0.21 0.00 -1.03 0.00 0.00 54.13 52.84 1whk s LEU 44 Cb 0.09 -1.05 0.06 0.00 0.03 0.00 0.00 46.19 45.32 1whk s LEU 44 CO 0.17 0.03 1.56 -0.83 0.23 0.00 0.00 176.35 177.51 1whk s GLY 45 N 0.88 1.45 0.71 -3.19 0.00 -0.14 -3.43 107.32 103.61 1whk s GLY 45 Ca -0.09 -2.56 -0.11 0.00 0.00 0.00 0.00 44.72 41.95 1whk s GLY 45 CO 0.00 2.68 1.09 1.08 0.00 0.00 0.00 173.10 177.96 1whk s LEU 46 N 4.57 2.88 -0.22 0.66 1.43 -0.80 -0.62 118.68 126.57 1whk s LEU 46 Ca 0.49 1.17 -0.03 0.00 -1.03 0.00 0.00 54.13 54.73 1whk s LEU 46 Cb 0.02 -3.96 0.12 0.00 0.03 0.00 0.00 46.19 42.39 1whk s LEU 46 CO -0.02 -1.40 0.32 -0.70 0.23 0.00 0.00 176.35 174.78 1whk s GLU 47 N -5.32 0.28 0.99 1.70 2.12 -0.96 -3.23 118.70 114.28 1whk s GLU 47 Ca 0.58 0.42 -0.17 0.00 0.36 0.00 0.00 54.97 56.17 1whk s GLU 47 Cb -0.11 -0.73 0.23 0.00 0.26 0.00 0.00 34.13 33.77 1whk s GLU 47 CO 0.52 -0.63 1.35 1.28 -0.54 0.00 0.00 175.26 177.24 1whk n LEU 48 N 5.35 0.00 -0.08 2.70 4.77 -1.21 -3.95 117.00 124.57 1whk n LEU 48 Ca -0.04 -1.49 -0.13 0.00 -0.03 0.00 0.00 56.01 54.31 1whk n LEU 48 Cb 0.50 -1.03 -0.14 0.00 -2.33 0.00 0.00 43.42 40.41 1whk n LEU 48 CO 0.07 -1.46 -1.07 -1.14 -1.33 0.00 0.00 177.39 172.46 1whk n ARG 49 N -3.86 0.68 -4.38 3.23 3.00 -1.26 -4.84 116.66 109.23 1whk n ARG 49 Ca 0.17 0.12 -0.30 0.00 -0.00 0.00 0.00 57.85 57.84 1whk n ARG 49 Cb 0.59 -1.59 -0.05 0.00 0.00 0.00 0.00 32.46 31.41 1whk n ARG 49 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1whk s SER 50 N -6.05 4.33 -1.02 6.15 1.04 -1.26 -5.05 113.70 111.84 1whk s SER 50 Ca -0.17 -1.45 -0.23 0.00 0.48 0.00 0.00 55.95 54.58 1whk s SER 50 Cb 0.07 0.37 0.03 0.00 0.10 0.00 0.00 66.02 66.60 1whk s SER 50 CO 0.76 -0.91 1.57 0.00 0.98 0.00 0.00 173.24 175.64 1whk s ALA 51 N -2.81 2.54 -0.34 5.32 0.00 -1.26 -4.62 121.76 120.59 1whk s ALA 51 Ca 0.20 -2.16 0.16 0.00 0.00 0.00 0.00 51.96 50.15 1whk s ALA 51 Cb 0.01 -4.54 0.44 0.00 0.00 0.00 0.00 23.12 19.02 1whk s ALA 51 CO 0.12 -3.84 1.12 1.63 0.00 0.00 0.00 175.76 174.78 1whk n LYS 52 N 8.84 1.23 -0.25 0.00 4.76 -1.13 -4.94 118.16 126.68 1whk n LYS 52 Ca 0.35 -2.74 0.00 0.00 -2.87 0.00 0.00 58.31 53.05 1whk n LYS 52 Cb 0.50 -0.83 0.00 0.00 -1.84 0.00 0.00 35.03 32.86 1whk n LYS 52 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1whk n GLY 53 N -0.36 5.11 1.63 0.72 0.00 -1.17 -4.90 105.19 106.22 1whk n GLY 53 Ca 0.04 -1.47 0.01 0.00 0.00 0.00 0.00 46.02 44.60 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 0.29 -4.44 1.61 4.76 -1.17 -4.67 118.16 114.54 1whk n LYS 54 Ca 0.00 -1.98 -0.24 0.00 -2.87 0.00 0.00 58.31 53.23 1whk n LYS 54 Cb 0.00 -0.10 -0.08 0.00 -1.84 0.00 0.00 35.03 33.01 1whk n LYS 54 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1whk s ASN 55 N -2.01 2.41 -0.08 4.39 0.01 -1.23 -4.96 114.94 113.46 1whk s ASN 55 Ca 0.26 -1.69 0.21 0.00 -0.71 0.00 0.00 52.86 50.93 1whk s ASN 55 Cb 0.31 0.52 0.44 0.00 0.41 0.00 0.00 41.25 42.92 1whk s ASN 55 CO -0.12 -0.97 1.18 -0.90 -1.51 0.00 0.00 177.10 174.78 1whk n ASP 56 N -1.34 1.35 0.00 -1.22 5.75 -1.26 0.04 116.55 119.87 1whk n ASP 56 Ca -0.02 -2.53 0.00 0.00 -0.01 0.00 0.00 54.79 52.23 1whk n ASP 56 Cb 0.64 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 1whk n ASP 56 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1whk n GLY 57 N -0.03 2.28 3.33 6.12 0.00 -1.26 -4.74 105.19 110.89 1whk n GLY 57 Ca 0.11 -0.42 -0.17 0.00 0.00 0.00 0.00 46.02 45.54 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 1.82 -0.19 4.61 0.00 -1.25 -1.47 121.76 125.28 1whk s ALA 58 Ca 0.00 -1.75 -0.08 0.00 0.00 0.00 0.00 51.96 50.14 1whk s ALA 58 Cb 0.00 0.41 0.08 0.00 0.00 0.00 0.00 23.12 23.61 1whk s ALA 58 CO 0.00 -0.21 0.42 0.08 0.00 0.00 0.00 175.76 176.04 1whk s VAL 59 N -3.37 -0.45 0.00 0.00 1.01 -1.21 -5.01 120.40 111.37 1whk s VAL 59 Ca 0.27 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.40 1whk s VAL 59 Cb 0.05 -0.65 0.00 0.00 0.00 0.00 0.00 36.38 35.78 1whk s VAL 59 CO 0.08 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.85 1whk n GLY 60 N 5.03 0.57 1.54 4.51 0.00 -1.26 -3.88 105.19 111.70 1whk n GLY 60 Ca -0.13 -1.05 -0.11 0.00 0.00 0.00 0.00 46.02 44.73 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 3.67 2.91 -4.10 1.61 8.00 -1.26 -4.99 116.55 122.39 1whk n ASP 61 Ca 0.00 -3.74 -0.11 0.00 0.71 0.00 0.00 54.79 51.65 1whk n ASP 61 Cb 0.00 -0.71 -0.08 0.00 -0.02 0.00 0.00 41.12 40.31 1whk n ASP 61 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1whk s LYS 62 N -3.28 1.35 0.13 -1.24 2.20 -1.25 -5.11 119.74 112.54 1whk s LYS 62 Ca 0.49 -1.49 0.09 0.00 -0.36 0.00 0.00 55.97 54.70 1whk s LYS 62 Cb 0.43 0.35 -0.04 0.00 -1.51 0.00 0.00 37.83 37.06 1whk s LYS 62 CO 0.03 -0.50 -0.22 0.50 -0.36 0.00 0.00 175.35 174.80 1whk s ARG 63 N -4.08 1.27 0.00 4.03 6.06 -1.26 -3.35 118.95 121.62 1whk s ARG 63 Ca 0.33 -1.30 0.00 0.00 -2.50 0.00 0.00 55.73 52.26 1whk s ARG 63 Cb 0.04 -1.56 0.00 0.00 0.06 0.00 0.00 34.95 33.49 1whk s ARG 63 CO 0.11 0.35 0.00 0.66 -2.50 0.00 0.00 175.30 173.93 1whk n TYR 64 N 0.79 0.00 -3.87 5.12 4.01 -1.23 -5.00 117.16 116.99 1whk n TYR 64 Ca -0.17 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.48 1whk n TYR 64 Cb 0.54 0.22 -0.05 0.00 -0.31 0.00 0.00 39.34 39.75 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 -1.91 0.13 -0.20 -0.72 -0.71 -0.54 -4.02 117.98 110.01 1whk s PHE 65 Ca 0.00 -0.49 0.01 0.00 -1.04 0.00 0.00 56.93 55.41 1whk s PHE 65 Cb 0.00 0.24 0.03 0.00 -1.21 0.00 0.00 43.02 42.07 1whk s PHE 65 CO 0.00 -0.89 -0.18 0.95 -1.34 0.00 0.00 175.22 173.76 1whk s THR 66 N -3.93 2.11 0.28 -4.49 -4.23 -1.26 -3.87 115.64 100.24 1whk s THR 66 Ca 0.15 -1.08 -0.08 0.00 -1.18 0.00 0.00 61.69 59.50 1whk s THR 66 Cb 0.00 -1.96 0.03 0.00 1.34 0.00 0.00 72.50 71.91 1whk s THR 66 CO 0.01 0.42 0.50 0.00 -0.54 0.00 0.00 174.62 175.01 1whk s LYS 68 N -2.23 3.12 -0.20 0.00 3.01 -1.26 -4.62 119.74 117.55 1whk s LYS 68 Ca 0.15 0.46 -0.36 0.00 -1.01 0.00 0.00 55.97 55.20 1whk s LYS 68 Cb -0.03 -2.10 -0.13 0.00 -1.01 0.00 0.00 37.83 34.57 1whk s LYS 68 CO 0.11 -0.80 1.91 -2.30 0.51 0.00 0.00 175.35 174.77 1whk n PRO 69 N -2.83 1.64 -3.00 -1.68 -0.02 -1.26 -2.36 135.00 125.49 1whk n PRO 69 Ca 0.06 0.58 -0.11 0.00 -2.02 0.00 0.00 63.50 62.00 1whk n PRO 69 Cb 0.56 -2.46 0.05 0.00 -0.02 0.00 0.00 33.50 31.64 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 6.98 -6.18 0.00 2.55 3.02 0.11 -4.93 115.26 116.80 1whk n ASN 70 Ca 0.27 -0.55 0.00 0.00 -0.03 0.00 0.00 54.58 54.28 1whk n ASN 70 Cb 0.23 -4.63 0.00 0.00 -0.61 0.00 0.00 39.78 34.77 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 -2.84 0.00 -2.35 3.10 4.02 -0.99 -2.82 117.16 115.27 1whk n TYR 71 Ca -0.05 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.58 1whk n TYR 71 Cb 0.59 0.15 0.11 0.00 -0.02 0.00 0.00 39.34 40.17 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 -4.59 1.76 -0.04 2.72 0.00 -1.26 -3.35 107.32 102.55 1whk s GLY 72 Ca 0.00 -1.40 -0.13 0.00 0.00 0.00 0.00 44.72 43.18 1whk s GLY 72 CO 0.00 -0.84 0.30 -1.34 0.00 0.00 0.00 173.10 171.22 1whk s VAL 73 N -3.32 0.04 -0.28 1.40 -7.23 -1.20 -3.01 120.40 106.80 1whk s VAL 73 Ca 0.66 -0.35 -0.03 0.00 -1.81 0.00 0.00 61.98 60.45 1whk s VAL 73 Cb -0.06 -0.55 0.03 0.00 0.56 0.00 0.00 36.38 36.36 1whk s VAL 73 CO 0.46 -0.19 0.01 -0.76 -0.31 0.00 0.00 175.10 174.31 1whk s LEU 74 N -0.88 3.64 0.30 1.32 1.43 -1.26 -1.91 118.68 121.32 1whk s LEU 74 Ca -0.10 -0.95 0.05 0.00 -1.03 0.00 0.00 54.13 52.10 1whk s LEU 74 Cb -0.05 -1.75 -0.06 0.00 0.03 0.00 0.00 46.19 44.36 1whk s LEU 74 CO 0.03 -0.20 0.02 0.68 0.23 0.00 0.00 176.35 177.11 1whk s VAL 75 N 1.36 1.30 0.18 -1.59 -7.23 -1.22 -4.91 120.40 108.29 1whk s VAL 75 Ca -0.01 -2.04 -0.00 0.00 -1.81 0.00 0.00 61.98 58.12 1whk s VAL 75 Cb -0.18 -2.63 -0.04 0.00 0.56 0.00 0.00 36.38 34.09 1whk s VAL 75 CO -0.01 -0.14 0.36 -0.13 -0.31 0.00 0.00 175.10 174.87 1whk s ARG 76 N -3.84 3.50 0.19 4.82 0.52 -1.26 -0.86 118.95 122.02 1whk s ARG 76 Ca 0.33 -0.39 -0.19 0.00 -0.52 0.00 0.00 55.73 54.96 1whk s ARG 76 Cb 0.07 -2.87 0.16 0.00 0.52 0.00 0.00 34.95 32.82 1whk s ARG 76 CO 0.13 0.44 1.60 -1.35 0.02 0.00 0.00 175.30 176.13 1whk h PRO 77 N 2.09 -0.12 -0.14 3.54 0.11 -1.89 1.45 132.00 137.04 1whk h PRO 77 Ca -0.48 0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.68 1whk h PRO 77 Cb 1.19 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1whk h PRO 77 CO 0.68 -0.08 0.23 0.66 -0.21 0.00 0.00 178.00 179.28 1whk h SER 78 N -0.13 0.00 0.68 -2.05 4.64 -1.95 0.97 113.55 115.72 1whk h SER 78 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1whk h SER 78 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1whk h SER 78 CO -0.67 0.00 -0.45 0.54 -0.87 0.00 0.00 176.83 175.38 1whk n ARG 79 N -3.48 0.08 -4.57 4.77 5.12 0.48 -4.91 116.66 114.16 1whk n ARG 79 Ca 0.01 0.03 -0.26 0.00 -1.93 0.00 0.00 57.85 55.69 1whk n ARG 79 Cb 0.33 -1.55 -0.11 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 1.75 0.17 1.55 -7.23 0.33 -1.93 120.40 112.00 1whk s VAL 80 Ca 0.10 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 58.05 1whk s VAL 80 Cb 0.17 -2.93 0.06 0.00 0.56 0.00 0.00 36.38 34.24 1whk s VAL 80 CO 0.68 -0.01 0.58 -0.89 -0.31 0.00 0.00 175.10 175.15 1whk s THR 81 N -2.89 0.01 0.10 5.32 2.01 -0.68 -4.84 115.64 114.66 1whk s THR 81 Ca 0.35 -0.23 -0.09 0.00 0.31 0.00 0.00 61.69 62.03 1whk s THR 81 Cb 0.09 -1.16 0.03 0.00 0.01 0.00 0.00 72.50 71.48 1whk s THR 81 CO 0.17 -0.05 0.46 0.00 -0.69 0.00 0.00 174.62 174.51 1whk n TYR 82 N -0.36 -1.02 -0.04 4.92 4.11 -1.26 0.14 117.16 123.65 1whk n TYR 82 Ca -0.15 -0.62 -0.07 0.00 -0.00 0.00 0.00 57.90 57.06 1whk n TYR 82 Cb 0.64 0.30 -0.02 0.00 -0.00 0.00 0.00 39.34 40.26 1whk n TYR 82 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1whk n ARG 83 N -0.32 0.31 0.00 -3.48 1.74 -1.26 -5.07 116.66 108.58 1whk n ARG 83 Ca -0.01 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 1whk n ARG 83 Cb 0.27 -1.04 0.00 0.00 -1.02 0.00 0.00 32.46 30.66 1whk n ARG 83 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1whk n GLY 84 N 2.27 3.22 2.75 -0.13 0.00 -1.26 -4.95 105.19 107.09 1whk n GLY 84 Ca -0.12 -0.91 -0.03 0.00 0.00 0.00 0.00 46.02 44.96 1whk n GLY 84 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1whk n ILE 85 N 0.00-11.51 0.14 -0.61 5.41 -1.26 -4.90 119.36 106.63 1whk n ILE 85 Ca 0.00 1.44 0.00 0.00 1.00 0.00 0.00 62.75 65.19 1whk n ILE 85 Cb 0.00 -7.04 0.29 0.00 -0.71 0.00 0.00 39.64 32.18 1whk n ILE 85 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 1whk h SER 86 N 2.57 0.12 0.00 4.38 4.64 -2.06 -3.48 113.55 119.72 1whk h SER 86 Ca 0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1whk h SER 86 Cb 0.40 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1whk h SER 86 CO 0.14 0.51 0.00 0.61 -0.87 0.00 0.00 176.83 177.21 1whk n GLY 87 N -0.32 0.03 3.15 -0.77 0.00 -1.26 -5.15 105.19 100.88 1whk n GLY 87 Ca -0.02 0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 1whk n GLY 87 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1whk n PRO 88 N 0.00 -2.40 -4.06 1.61 -0.02 -1.26 -5.06 135.00 123.82 1whk n PRO 88 Ca 0.00 -0.70 -0.20 0.00 -2.02 0.00 0.00 63.50 60.58 1whk n PRO 88 Cb 0.00 -1.64 -0.07 0.00 -0.02 0.00 0.00 33.50 31.78 1whk n PRO 88 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1whk n SER 89 N -2.14 0.11 0.00 2.55 3.41 -1.26 -5.06 113.62 111.23 1whk n SER 89 Ca 0.05 -2.95 -0.12 0.00 -0.26 0.00 0.00 58.87 55.59 1whk n SER 89 Cb 0.50 1.26 -0.09 0.00 -0.26 0.00 0.00 64.21 65.62 1whk n SER 89 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1whk h SER 90 N 1.67 -0.09 0.00 4.04 4.64 -2.10 -3.55 113.55 118.17 1whk h SER 90 Ca -0.24 -0.52 0.00 0.00 -0.47 0.00 0.00 61.79 60.56 1whk h SER 90 Cb 1.08 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1whk h SER 90 CO 0.36 0.55 0.00 0.61 -0.87 0.00 0.00 176.83 177.49