#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whk s SER 2 N 0.00 5.14 0.17 1.61 0.01 -1.26 -5.09 113.70 114.28 1whk s SER 2 Ca 0.00 0.10 -0.09 0.00 1.31 0.00 0.00 55.95 57.27 1whk s SER 2 Cb 0.00 -1.48 0.03 0.00 0.21 0.00 0.00 66.02 64.78 1whk s SER 2 CO 0.00 0.35 0.45 -1.54 0.41 0.00 0.00 173.24 172.90 1whk n SER 3 N 2.33 -1.09 0.00 2.44 3.41 -1.26 -5.09 113.62 114.37 1whk n SER 3 Ca -0.18 -1.70 0.00 0.00 -0.26 0.00 0.00 58.87 56.72 1whk n SER 3 Cb 0.53 1.80 0.00 0.00 -0.26 0.00 0.00 64.21 66.28 1whk n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1whk n GLY 4 N -0.31 0.00 3.81 5.00 0.00 -1.26 -5.15 105.19 107.28 1whk n GLY 4 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 7.09 -0.65 1.61 0.01 -1.26 -5.04 113.70 115.46 1whk s SER 5 Ca 0.00 1.44 0.02 0.00 1.31 0.00 0.00 55.95 58.72 1whk s SER 5 Cb 0.00 -2.43 0.16 0.00 0.21 0.00 0.00 66.02 63.96 1whk s SER 5 CO 0.00 0.06 0.44 -0.44 0.41 0.00 0.00 173.24 173.70 1whk s SER 6 N -1.59 4.87 0.00 2.44 0.01 -1.26 -5.02 113.70 113.15 1whk s SER 6 Ca 0.42 -3.37 0.00 0.00 1.31 0.00 0.00 55.95 54.31 1whk s SER 6 Cb -0.17 -1.71 0.00 0.00 0.21 0.00 0.00 66.02 64.34 1whk s SER 6 CO 0.21 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.27 1whk n GLY 7 N 2.69 -0.28 2.50 3.44 0.00 -1.26 -5.14 105.19 107.13 1whk n GLY 7 Ca 0.13 -1.26 -0.21 0.00 0.00 0.00 0.00 46.02 44.68 1whk n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1whk n GLU 8 N 0.00 -2.03 0.00 1.61 4.71 -1.26 -5.08 120.64 118.59 1whk n GLU 8 Ca 0.00 -1.27 0.00 0.00 -0.01 0.00 0.00 57.16 55.88 1whk n GLU 8 Cb 0.00 -1.08 0.00 0.00 -1.01 0.00 0.00 31.44 29.35 1whk n GLU 8 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1whk n GLY 9 N -2.10 -1.26 1.59 0.62 0.00 -1.26 -5.06 105.19 97.72 1whk n GLY 9 Ca 0.11 0.91 -0.03 0.00 0.00 0.00 0.00 46.02 47.01 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 -1.98 2.61 5.66 -1.26 -5.13 114.28 114.17 1whk n THR 10 Ca 0.00 -0.35 -0.42 0.00 -3.05 0.00 0.00 64.05 60.24 1whk n THR 10 Cb 0.00 0.59 -0.02 0.00 -1.55 0.00 0.00 70.33 69.35 1whk n THR 10 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1whk s VAL 11 N 0.05 2.64 0.36 1.08 0.11 -1.26 -5.02 120.40 118.36 1whk s VAL 11 Ca 0.03 0.51 0.07 0.00 -2.93 0.00 0.00 61.98 59.66 1whk s VAL 11 Cb 0.16 -3.33 -0.01 0.00 -1.53 0.00 0.00 36.38 31.67 1whk s VAL 11 CO -0.05 0.07 0.46 -0.54 -3.33 0.00 0.00 175.10 171.71 1whk s LYS 12 N 0.14 2.97 0.16 1.54 3.01 -1.26 -5.11 119.74 121.19 1whk s LYS 12 Ca 0.63 -1.13 -0.13 0.00 -1.01 0.00 0.00 55.97 54.33 1whk s LYS 12 Cb -0.43 -2.74 -0.07 0.00 -1.01 0.00 0.00 37.83 33.59 1whk s LYS 12 CO 0.39 -0.02 0.55 -0.51 0.51 0.00 0.00 175.35 176.27 1whk s LEU 13 N -4.18 4.30 0.51 3.17 1.43 -1.26 -5.10 118.68 117.56 1whk s LEU 13 Ca 0.47 1.04 0.08 0.00 -1.03 0.00 0.00 54.13 54.69 1whk s LEU 13 Cb -0.09 -3.35 0.05 0.00 0.03 0.00 0.00 46.19 42.83 1whk s LEU 13 CO 0.31 0.07 0.64 -1.00 0.23 0.00 0.00 176.35 176.59 1whk s HIS 14 N -1.54 1.94 -0.34 0.29 3.76 -1.26 -4.84 115.29 113.29 1whk s HIS 14 Ca 0.40 -0.63 -0.29 0.00 -0.15 0.00 0.00 55.06 54.39 1whk s HIS 14 Cb -0.14 -2.21 0.01 0.00 1.11 0.00 0.00 32.58 31.35 1whk s HIS 14 CO 0.19 -0.77 1.22 -1.21 -0.85 0.00 0.00 174.74 173.33 1whk s GLU 15 N -4.48 3.89 0.00 1.40 2.02 -1.26 -3.74 118.70 116.53 1whk s GLU 15 Ca 0.55 1.06 0.00 0.00 0.02 0.00 0.00 54.97 56.60 1whk s GLU 15 Cb -0.06 -3.86 0.00 0.00 0.10 0.00 0.00 34.13 30.31 1whk s GLU 15 CO 0.34 -1.14 0.00 0.41 0.02 0.00 0.00 175.26 174.89 1whk n GLY 16 N 4.35 1.40 3.62 -1.39 0.00 -1.18 -5.05 105.19 106.95 1whk n GLY 16 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.00 3.58 -0.05 1.61 0.01 -1.25 -4.98 113.70 110.62 1whk s SER 17 Ca 0.00 -1.50 0.05 0.00 1.31 0.00 0.00 55.95 55.82 1whk s SER 17 Cb 0.00 0.06 -0.01 0.00 0.21 0.00 0.00 66.02 66.28 1whk s SER 17 CO 0.00 -0.66 -0.22 -1.10 0.41 0.00 0.00 173.24 171.67 1whk s GLN 18 N -3.79 2.17 0.01 12.44 -1.52 -1.26 -2.15 119.66 125.55 1whk s GLN 18 Ca 0.25 -0.78 0.01 0.00 -1.95 0.00 0.00 55.36 52.89 1whk s GLN 18 Cb 0.06 -1.88 -0.01 0.00 -0.22 0.00 0.00 33.01 30.97 1whk s GLN 18 CO 0.12 0.34 -0.04 0.14 -0.25 0.00 0.00 175.29 175.60 1whk s VAL 19 N -0.12 0.26 -0.15 1.09 -7.23 -0.76 -4.56 120.40 108.92 1whk s VAL 19 Ca -0.02 -0.40 -0.02 0.00 -1.81 0.00 0.00 61.98 59.73 1whk s VAL 19 Cb -0.12 -0.27 -0.01 0.00 0.56 0.00 0.00 36.38 36.53 1whk s VAL 19 CO 0.03 -0.10 -0.10 -0.22 -0.31 0.00 0.00 175.10 174.40 1whk s LEU 20 N -0.53 2.84 0.45 1.32 2.96 0.23 -0.05 118.68 125.89 1whk s LEU 20 Ca -0.03 -0.31 -0.24 0.00 -0.22 0.00 0.00 54.13 53.32 1whk s LEU 20 Cb -0.04 -1.67 -0.08 0.00 0.50 0.00 0.00 46.19 44.91 1whk s LEU 20 CO -0.00 0.12 1.23 -0.76 -1.32 0.00 0.00 176.35 175.62 1whk s LEU 21 N 0.61 4.08 -0.45 -0.68 1.43 -1.19 -2.90 118.68 119.57 1whk s LEU 21 Ca -0.06 2.46 0.03 0.00 -1.03 0.00 0.00 54.13 55.53 1whk s LEU 21 Cb -0.15 -4.12 0.61 0.00 0.03 0.00 0.00 46.19 42.56 1whk s LEU 21 CO 0.03 -0.94 1.89 1.07 0.23 0.00 0.00 176.35 178.63 1whk n THR 22 N -0.30 3.15 0.00 5.49 5.66 -1.26 -3.05 114.28 123.97 1whk n THR 22 Ca 0.06 -1.93 0.00 0.00 -3.05 0.00 0.00 64.05 59.13 1whk n THR 22 Cb 0.46 -0.57 0.00 0.00 -1.55 0.00 0.00 70.33 68.67 1whk n THR 22 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1whk n SER 23 N -1.04 0.00 0.02 1.09 7.64 -1.26 -4.89 113.62 115.18 1whk n SER 23 Ca 0.57 0.00 0.08 0.00 1.01 0.00 0.00 58.87 60.53 1whk n SER 23 Cb 1.52 0.03 -0.11 0.00 -1.01 0.00 0.00 64.21 64.64 1whk n SER 23 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1whk n SER 24 N -2.23 0.37 -2.48 6.43 2.88 -1.26 -5.00 113.62 112.34 1whk n SER 24 Ca 0.00 0.15 -0.14 0.00 -1.33 0.00 0.00 58.87 57.55 1whk n SER 24 Cb 0.00 1.18 0.05 0.00 -0.75 0.00 0.00 64.21 64.69 1whk n SER 24 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1whk n ASN 25 N -2.52 -4.06 -3.94 -3.46 2.85 -1.17 -5.03 115.26 97.93 1whk n ASN 25 Ca -0.07 -0.35 -0.27 0.00 -0.11 0.00 0.00 54.58 53.78 1whk n ASN 25 Cb 0.66 -3.38 -0.17 0.00 1.24 0.00 0.00 39.78 38.13 1whk n ASN 25 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1whk s GLU 26 N -5.58 1.65 0.44 1.20 2.02 -1.26 -4.92 118.70 112.25 1whk s GLU 26 Ca 0.28 -0.32 -0.24 0.00 0.02 0.00 0.00 54.97 54.70 1whk s GLU 26 Cb -0.12 -1.61 -0.08 0.00 0.10 0.00 0.00 34.13 32.42 1whk s GLU 26 CO 0.46 -0.21 1.22 -1.64 0.02 0.00 0.00 175.26 175.12 1whk s MET 27 N 1.47 3.84 0.01 1.61 -1.94 -1.26 -3.19 119.30 119.85 1whk s MET 27 Ca 0.01 1.94 -0.00 0.00 -1.71 0.00 0.00 55.69 55.92 1whk s MET 27 Cb -0.13 -2.56 -0.01 0.00 2.01 0.00 0.00 34.83 34.13 1whk s MET 27 CO -0.06 -0.53 -0.01 0.00 -0.01 0.00 0.00 175.02 174.41 1whk s ALA 28 N -1.41 0.05 0.06 3.03 0.00 0.93 -4.93 121.76 119.49 1whk s ALA 28 Ca 0.61 -0.34 -0.19 0.00 0.00 0.00 0.00 51.96 52.04 1whk s ALA 28 Cb -0.33 0.08 -0.06 0.00 0.00 0.00 0.00 23.12 22.81 1whk s ALA 28 CO 0.41 -0.10 0.55 0.99 0.00 0.00 0.00 175.76 177.61 1whk s THR 29 N -0.89 4.78 0.03 0.00 2.01 -1.25 -1.83 115.64 118.49 1whk s THR 29 Ca -0.10 1.18 -0.24 0.00 0.31 0.00 0.00 61.69 62.84 1whk s THR 29 Cb -0.06 -3.88 -0.05 0.00 0.01 0.00 0.00 72.50 68.52 1whk s THR 29 CO -0.01 0.55 0.75 -0.69 -0.69 0.00 0.00 174.62 174.53 1whk s VAL 30 N -1.05 4.78 0.00 3.82 1.01 -0.92 -1.78 120.40 126.27 1whk s VAL 30 Ca 0.29 1.58 0.00 0.00 0.00 0.00 0.00 61.98 63.85 1whk s VAL 30 Cb -0.19 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1whk s VAL 30 CO 0.18 0.35 0.00 0.54 0.00 0.00 0.00 175.10 176.18 1whk n ARG 31 N 2.92 0.00 -4.30 2.72 5.12 -0.63 -3.07 116.66 119.42 1whk n ARG 31 Ca -0.03 0.00 -0.19 0.00 -1.93 0.00 0.00 57.85 55.71 1whk n ARG 31 Cb 0.50 -0.71 -0.13 0.00 -1.16 0.00 0.00 32.46 30.97 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 -2.00 1.06 -0.29 -1.55 5.04 -1.23 -4.80 117.35 113.59 1whk s TYR 32 Ca 0.00 -0.34 -0.01 0.00 -2.44 0.00 0.00 57.07 54.27 1whk s TYR 32 Cb 0.00 -0.64 0.13 0.00 0.35 0.00 0.00 41.96 41.80 1whk s TYR 32 CO 0.00 0.01 0.26 0.08 -1.34 0.00 0.00 175.55 174.56 1whk s VAL 33 N -0.84 -0.33 -0.60 3.14 1.01 -1.26 0.07 120.40 121.59 1whk s VAL 33 Ca -0.00 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1whk s VAL 33 Cb -0.07 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.33 1whk s VAL 33 CO 0.01 -0.52 0.00 0.61 0.00 0.00 0.00 175.10 175.20 1whk n GLY 34 N 5.30 -0.77 1.45 4.51 0.00 -1.18 -5.01 105.19 109.49 1whk n GLY 34 Ca -0.03 -0.72 -0.10 0.00 0.00 0.00 0.00 46.02 45.18 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 0.00 -1.53 -4.07 1.61 -0.02 -1.26 -2.74 135.00 126.98 1whk n PRO 35 Ca 0.00 -0.46 -0.11 0.00 -2.02 0.00 0.00 63.50 60.91 1whk n PRO 35 Cb 0.00 -0.76 -0.06 0.00 -0.02 0.00 0.00 33.50 32.65 1whk n PRO 35 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1whk s THR 36 N -1.33 0.00 -0.11 3.45 -4.23 -1.26 -4.65 115.64 107.51 1whk s THR 36 Ca 0.21 -1.61 -0.10 0.00 -1.18 0.00 0.00 61.69 59.00 1whk s THR 36 Cb -0.04 -2.38 -0.05 0.00 1.34 0.00 0.00 72.50 71.38 1whk s THR 36 CO 0.18 0.00 -0.22 -0.67 -0.54 0.00 0.00 174.62 173.37 1whk n ASP 37 N -0.57 1.50 -0.10 3.99 2.03 -1.26 -4.65 116.55 117.49 1whk n ASP 37 Ca 0.00 0.24 0.01 0.00 0.52 0.00 0.00 54.79 55.57 1whk n ASP 37 Cb 0.63 -0.57 0.31 0.00 -0.72 0.00 0.00 41.12 40.77 1whk n ASP 37 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 1whk h PHE 38 N -0.63 0.72 -3.30 -0.67 -0.00 -1.99 -3.45 116.94 107.63 1whk h PHE 38 Ca -0.15 -0.01 -0.03 0.00 -0.00 0.00 0.00 57.97 57.78 1whk h PHE 38 Cb 0.88 -0.23 -0.01 0.00 -0.00 0.00 0.00 35.95 36.59 1whk h PHE 38 CO -0.20 0.51 -0.03 0.00 -0.00 0.00 0.00 178.31 178.59 1whk n ALA 39 N -2.45 0.03 -4.49 12.09 0.00 -1.26 -5.18 120.51 119.25 1whk n ALA 39 Ca 0.05 -0.13 -0.24 0.00 0.00 0.00 0.00 53.44 53.12 1whk n ALA 39 Cb 0.10 0.08 -0.05 0.00 0.00 0.00 0.00 19.45 19.58 1whk n ALA 39 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1whk n SER 40 N -1.79 2.55 0.00 0.00 3.41 -1.26 -4.31 113.62 112.22 1whk n SER 40 Ca -0.01 -2.69 0.00 0.00 -0.26 0.00 0.00 58.87 55.91 1whk n SER 40 Cb 0.04 0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 1whk n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1whk n GLY 41 N 0.24 0.39 3.01 5.00 0.00 -1.26 -4.83 105.19 107.74 1whk n GLY 41 Ca -0.13 -0.98 -0.21 0.00 0.00 0.00 0.00 46.02 44.69 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 0.00 0.88 0.24 -0.61 1.01 -1.26 -4.28 121.20 117.18 1whk s ILE 42 Ca 0.00 -0.40 0.03 0.00 0.00 0.00 0.00 60.65 60.28 1whk s ILE 42 Cb 0.00 -0.79 -0.05 0.00 0.01 0.00 0.00 42.46 41.63 1whk s ILE 42 CO 0.00 0.28 0.02 0.26 0.00 0.00 0.00 174.94 175.50 1whk s TRP 43 N 0.29 1.59 -0.18 3.97 0.52 -1.11 -4.62 118.94 119.41 1whk s TRP 43 Ca -0.05 -0.98 0.01 0.00 0.02 0.00 0.00 56.10 55.10 1whk s TRP 43 Cb -0.10 -0.94 0.03 0.00 -1.15 0.00 0.00 33.47 31.31 1whk s TRP 43 CO 0.01 -0.09 -0.13 -0.51 0.02 0.00 0.00 176.95 176.25 1whk s LEU 44 N -3.32 2.03 -1.13 2.99 1.43 -0.60 -3.09 118.68 116.98 1whk s LEU 44 Ca 0.31 -0.70 -0.22 0.00 -1.03 0.00 0.00 54.13 52.49 1whk s LEU 44 Cb 0.06 -1.24 -0.08 0.00 0.03 0.00 0.00 46.19 44.97 1whk s LEU 44 CO 0.10 -0.09 1.91 0.61 0.23 0.00 0.00 176.35 179.11 1whk n GLY 45 N 4.71 1.56 3.76 -3.19 0.00 0.11 -3.51 105.19 108.64 1whk n GLY 45 Ca -0.16 -0.90 -0.31 0.00 0.00 0.00 0.00 46.02 44.65 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 8.25 2.98 -0.26 0.99 1.43 0.20 -1.60 118.68 130.67 1whk s LEU 46 Ca 0.64 1.81 -0.02 0.00 -1.03 0.00 0.00 54.13 55.53 1whk s LEU 46 Cb 0.03 -4.49 0.12 0.00 0.03 0.00 0.00 46.19 41.88 1whk s LEU 46 CO 0.12 -2.10 0.25 -0.70 0.23 0.00 0.00 176.35 174.16 1whk s GLU 47 N -4.90 0.26 0.68 1.70 2.12 -0.73 -2.37 118.70 115.46 1whk s GLU 47 Ca 0.61 -0.06 -0.11 0.00 0.36 0.00 0.00 54.97 55.77 1whk s GLU 47 Cb -0.17 -0.90 0.01 0.00 0.26 0.00 0.00 34.13 33.33 1whk s GLU 47 CO 0.56 -0.90 1.07 -0.51 -0.54 0.00 0.00 175.26 174.94 1whk s LEU 48 N 2.32 2.97 -0.46 2.70 1.43 -0.80 -3.78 118.68 123.07 1whk s LEU 48 Ca 0.09 1.13 0.04 0.00 -1.03 0.00 0.00 54.13 54.35 1whk s LEU 48 Cb -0.15 -3.96 0.64 0.00 0.03 0.00 0.00 46.19 42.75 1whk s LEU 48 CO -0.26 -1.25 1.89 0.54 0.23 0.00 0.00 176.35 177.49 1whk n ARG 49 N -2.93 2.26 -3.57 1.70 3.00 -1.26 -4.72 116.66 111.13 1whk n ARG 49 Ca 0.07 -3.06 -0.08 0.00 -0.01 0.00 0.00 57.85 54.77 1whk n ARG 49 Cb 0.57 -2.16 -0.04 0.00 0.00 0.00 0.00 32.46 30.83 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 -1.47 -0.29 -0.95 0.55 1.04 -1.26 -5.08 113.70 106.24 1whk s SER 50 Ca 0.57 0.19 -0.25 0.00 0.48 0.00 0.00 55.95 56.93 1whk s SER 50 Cb 0.48 0.27 -0.12 0.00 0.10 0.00 0.00 66.02 66.74 1whk s SER 50 CO 0.09 -0.36 2.13 0.00 0.98 0.00 0.00 173.24 176.08 1whk s ALA 51 N -1.84 1.12 -0.06 5.32 0.00 -1.26 -4.46 121.76 120.58 1whk s ALA 51 Ca 0.03 -1.38 0.17 0.00 0.00 0.00 0.00 51.96 50.79 1whk s ALA 51 Cb -0.01 -4.61 0.32 0.00 0.00 0.00 0.00 23.12 18.82 1whk s ALA 51 CO -0.03 -5.68 1.14 1.17 0.00 0.00 0.00 175.76 172.36 1whk n LYS 52 N 8.61 0.31 0.00 0.00 4.81 -0.82 -4.99 118.16 126.07 1whk n LYS 52 Ca 0.43 -1.85 0.00 0.00 -0.87 0.00 0.00 58.31 56.02 1whk n LYS 52 Cb 0.46 -0.03 0.00 0.00 0.02 0.00 0.00 35.03 35.48 1whk n LYS 52 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1whk n GLY 53 N 0.08 5.25 1.42 3.14 0.00 -0.83 -4.94 105.19 109.32 1whk n GLY 53 Ca -0.05 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.43 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 0.00 -2.29 1.61 5.02 -1.23 -4.81 118.16 116.46 1whk n LYS 54 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.93 1whk n LYS 54 Cb 0.00 -0.06 -0.01 0.00 -0.02 0.00 0.00 35.03 34.95 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 -2.76 6.00 -0.37 4.39 0.01 -1.25 -4.32 114.94 116.64 1whk s ASN 55 Ca 0.00 2.21 0.07 0.00 -0.71 0.00 0.00 52.86 54.43 1whk s ASN 55 Cb 0.00 -2.59 0.68 0.00 0.41 0.00 0.00 41.25 39.75 1whk s ASN 55 CO 0.00 -1.03 1.82 -0.67 -1.51 0.00 0.00 177.10 175.71 1whk n ASP 56 N -0.87 4.28 0.00 -1.22 2.03 -1.26 -2.74 116.55 116.77 1whk n ASP 56 Ca 0.09 -3.34 0.00 0.00 0.52 0.00 0.00 54.79 52.06 1whk n ASP 56 Cb 0.50 -0.78 0.00 0.00 -0.72 0.00 0.00 41.12 40.12 1whk n ASP 56 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1whk n GLY 57 N -0.56 2.42 3.20 0.27 0.00 -1.26 -4.79 105.19 104.46 1whk n GLY 57 Ca 0.48 -0.57 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.52 2.80 -0.47 4.61 0.00 -1.26 -2.48 121.76 124.44 1whk s ALA 58 Ca 0.00 -1.63 -0.17 0.00 0.00 0.00 0.00 51.96 50.17 1whk s ALA 58 Cb 0.00 -1.87 0.05 0.00 0.00 0.00 0.00 23.12 21.30 1whk s ALA 58 CO 0.00 -1.08 0.45 0.08 0.00 0.00 0.00 175.76 175.21 1whk s VAL 59 N 1.30 5.13 0.00 0.00 1.01 0.85 -4.88 120.40 123.82 1whk s VAL 59 Ca -0.03 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1whk s VAL 59 Cb -0.18 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.06 1whk s VAL 59 CO -0.02 -0.58 0.00 0.61 0.00 0.00 0.00 175.10 175.11 1whk n GLY 60 N 5.18 2.21 1.61 4.51 0.00 -1.26 -3.26 105.19 114.17 1whk n GLY 60 Ca -0.10 -0.43 -0.12 0.00 0.00 0.00 0.00 46.02 45.37 1whk n GLY 60 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1whk n ASP 61 N 9.13 3.09 -2.80 1.61 5.75 -1.26 -4.99 116.55 127.08 1whk n ASP 61 Ca 0.00 -3.68 -0.09 0.00 -0.01 0.00 0.00 54.79 51.01 1whk n ASP 61 Cb 0.00 -0.72 0.03 0.00 -1.03 0.00 0.00 41.12 39.40 1whk n ASP 61 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1whk s LYS 62 N -3.25 2.29 0.04 0.11 1.02 -1.20 -5.17 119.74 113.58 1whk s LYS 62 Ca 0.50 -1.50 -0.08 0.00 0.02 0.00 0.00 55.97 54.91 1whk s LYS 62 Cb 0.44 0.63 -0.00 0.00 -0.52 0.00 0.00 37.83 38.37 1whk s LYS 62 CO 0.05 -1.08 0.16 -0.98 -0.92 0.00 0.00 175.35 172.58 1whk s ARG 63 N -2.09 0.66 0.00 1.68 1.70 -1.26 -0.10 118.95 119.54 1whk s ARG 63 Ca 0.16 -0.68 0.00 0.00 -0.47 0.00 0.00 55.73 54.74 1whk s ARG 63 Cb -0.05 0.27 0.00 0.00 -0.57 0.00 0.00 34.95 34.60 1whk s ARG 63 CO 0.12 -0.18 0.46 0.66 -1.08 0.00 0.00 175.30 175.28 1whk n TYR 64 N 0.70 0.00 -3.61 5.89 4.01 -1.04 -4.95 117.16 118.17 1whk n TYR 64 Ca -0.19 -0.07 -0.03 0.00 -0.16 0.00 0.00 57.90 57.45 1whk n TYR 64 Cb 0.59 -0.01 -0.02 0.00 -0.31 0.00 0.00 39.34 39.59 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 -0.13 -0.08 -0.18 -0.72 -0.71 -1.23 -3.49 117.98 111.44 1whk s PHE 65 Ca 0.00 0.04 -0.01 0.00 -1.04 0.00 0.00 56.93 55.93 1whk s PHE 65 Cb 0.00 0.51 -0.00 0.00 -1.21 0.00 0.00 43.02 42.32 1whk s PHE 65 CO 0.00 -0.14 -0.13 0.99 -1.34 0.00 0.00 175.22 174.60 1whk s THR 66 N -2.28 2.79 0.14 -4.49 2.01 -1.26 -4.49 115.64 108.06 1whk s THR 66 Ca 0.11 -0.71 -0.16 0.00 0.31 0.00 0.00 61.69 61.24 1whk s THR 66 Cb -0.00 -2.21 0.06 0.00 0.01 0.00 0.00 72.50 70.36 1whk s THR 66 CO -0.04 0.49 0.76 0.00 -0.69 0.00 0.00 174.62 175.15 1whk s LYS 68 N -2.04 2.19 -0.14 0.00 -0.14 -1.26 -4.73 119.74 113.62 1whk s LYS 68 Ca 0.17 0.13 -0.36 0.00 -1.36 0.00 0.00 55.97 54.54 1whk s LYS 68 Cb -0.02 -2.00 -0.13 0.00 -1.68 0.00 0.00 37.83 33.99 1whk s LYS 68 CO 0.04 -1.42 1.80 -2.30 -0.76 0.00 0.00 175.35 172.71 1whk n PRO 69 N -3.19 1.78 -3.15 -1.68 -0.02 -1.26 -2.26 135.00 125.23 1whk n PRO 69 Ca 0.08 0.65 -0.14 0.00 -2.02 0.00 0.00 63.50 62.07 1whk n PRO 69 Cb 0.60 -2.43 0.07 0.00 -0.02 0.00 0.00 33.50 31.72 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 5.89 -5.32 -0.00 2.55 4.13 -1.11 -4.84 115.26 116.55 1whk n ASN 70 Ca 0.24 -0.63 -0.01 0.00 1.68 0.00 0.00 54.58 55.85 1whk n ASN 70 Cb 0.23 -4.80 -0.00 0.00 -1.54 0.00 0.00 39.78 33.67 1whk n ASN 70 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1whk n TYR 71 N -3.26 0.00 -2.69 3.10 4.02 -0.96 -1.95 117.16 115.43 1whk n TYR 71 Ca -0.11 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.57 1whk n TYR 71 Cb 0.62 -0.03 0.06 0.00 -0.02 0.00 0.00 39.34 39.96 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 -4.85 1.81 0.10 2.72 0.00 -1.26 -1.90 107.32 103.94 1whk s GLY 72 Ca -0.01 -1.55 -0.15 0.00 0.00 0.00 0.00 44.72 43.00 1whk s GLY 72 CO 0.02 -1.18 0.37 -1.34 0.00 0.00 0.00 173.10 170.97 1whk s VAL 73 N -2.83 0.08 -0.16 1.40 -7.23 -1.00 -3.54 120.40 107.12 1whk s VAL 73 Ca 0.60 -0.64 -0.01 0.00 -1.81 0.00 0.00 61.98 60.13 1whk s VAL 73 Cb -0.08 -1.14 -0.00 0.00 0.56 0.00 0.00 36.38 35.71 1whk s VAL 73 CO 0.40 -0.35 -0.13 -0.76 -0.31 0.00 0.00 175.10 173.94 1whk s LEU 74 N -2.65 2.57 0.38 1.32 1.43 -1.26 -0.63 118.68 119.84 1whk s LEU 74 Ca 0.01 -0.45 0.06 0.00 -1.03 0.00 0.00 54.13 52.73 1whk s LEU 74 Cb 0.02 -1.60 -0.02 0.00 0.03 0.00 0.00 46.19 44.62 1whk s LEU 74 CO -0.10 0.07 0.22 0.68 0.23 0.00 0.00 176.35 177.45 1whk s VAL 75 N 0.90 0.25 0.03 -1.59 -7.23 -1.23 -4.89 120.40 106.64 1whk s VAL 75 Ca -0.03 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.18 1whk s VAL 75 Cb -0.15 -2.39 -0.04 0.00 0.56 0.00 0.00 36.38 34.36 1whk s VAL 75 CO -0.01 0.00 -0.08 -0.13 -0.31 0.00 0.00 175.10 174.58 1whk s ARG 76 N -3.54 2.44 0.17 4.82 0.52 -1.26 -1.56 118.95 120.54 1whk s ARG 76 Ca 0.32 -0.80 -0.25 0.00 -0.52 0.00 0.00 55.73 54.47 1whk s ARG 76 Cb 0.02 -2.45 0.04 0.00 0.52 0.00 0.00 34.95 33.08 1whk s ARG 76 CO 0.22 0.58 1.57 -1.35 0.02 0.00 0.00 175.30 176.33 1whk h PRO 77 N 4.28 -0.23 -0.11 3.54 0.11 -1.88 1.36 132.00 139.06 1whk h PRO 77 Ca -0.48 0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.68 1whk h PRO 77 Cb 1.17 0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1whk h PRO 77 CO 0.53 -0.16 0.22 1.03 -0.21 0.00 0.00 178.00 179.42 1whk h SER 78 N -0.24 0.00 0.40 -2.05 0.87 -1.98 0.92 113.55 111.46 1whk h SER 78 Ca 0.17 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1whk h SER 78 Cb 0.57 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1whk h SER 78 CO -0.66 0.00 -0.49 0.54 -0.53 0.00 0.00 176.83 175.69 1whk n ARG 79 N -3.40 0.20 -4.51 2.24 5.12 0.44 -4.92 116.66 111.82 1whk n ARG 79 Ca 0.00 -0.12 -0.24 0.00 -1.93 0.00 0.00 57.85 55.56 1whk n ARG 79 Cb 0.31 -1.50 -0.11 0.00 -1.16 0.00 0.00 32.46 30.01 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 -2.88 1.83 0.06 1.55 -7.23 0.32 -4.10 120.40 109.95 1whk s VAL 80 Ca 0.14 -2.10 -0.15 0.00 -1.81 0.00 0.00 61.98 58.06 1whk s VAL 80 Cb 0.18 -2.70 0.02 0.00 0.56 0.00 0.00 36.38 34.44 1whk s VAL 80 CO 0.67 -0.15 0.34 -0.89 -0.31 0.00 0.00 175.10 174.76 1whk s THR 81 N -2.87 0.08 -0.04 5.32 2.01 -1.14 -4.83 115.64 114.17 1whk s THR 81 Ca 0.33 -0.65 -0.19 0.00 0.31 0.00 0.00 61.69 61.48 1whk s THR 81 Cb 0.06 -1.02 0.04 0.00 0.01 0.00 0.00 72.50 71.58 1whk s THR 81 CO 0.15 -0.36 0.42 -0.72 -0.69 0.00 0.00 174.62 173.43 1whk s TYR 82 N -2.89 -0.34 -0.05 4.92 1.13 -1.26 0.77 117.35 119.62 1whk s TYR 82 Ca -0.03 0.58 -0.06 0.00 -1.41 0.00 0.00 57.07 56.16 1whk s TYR 82 Cb 0.00 0.19 -0.02 0.00 -1.10 0.00 0.00 41.96 41.03 1whk s TYR 82 CO -0.05 -0.44 -0.12 -2.13 -2.51 0.00 0.00 175.55 170.30 1whk n ARG 83 N 1.30 0.18 0.00 -3.49 3.00 -1.26 -5.05 116.66 111.34 1whk n ARG 83 Ca -0.20 0.07 0.00 0.00 -0.00 0.00 0.00 57.85 57.72 1whk n ARG 83 Cb 0.56 -0.75 0.00 0.00 0.00 0.00 0.00 32.46 32.27 1whk n ARG 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1whk n GLY 84 N 1.89 1.48 3.67 5.14 0.00 -1.26 -5.00 105.19 111.11 1whk n GLY 84 Ca -0.05 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 44.85 1whk n GLY 84 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1whk s ILE 85 N 0.00 4.10 0.53 -0.61 2.07 -1.26 -4.80 121.20 121.24 1whk s ILE 85 Ca 0.00 1.38 0.00 0.00 -1.41 0.00 0.00 60.65 60.62 1whk s ILE 85 Cb 0.00 -3.89 0.00 0.00 0.13 0.00 0.00 42.46 38.70 1whk s ILE 85 CO 0.00 -0.08 0.00 -1.20 -1.91 0.00 0.00 174.94 171.75 1whk n SER 86 N 6.19 -8.28 0.00 4.50 7.64 -1.26 -4.98 113.62 117.44 1whk n SER 86 Ca 0.14 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.19 1whk n SER 86 Cb 0.45 -4.73 0.00 0.00 -1.01 0.00 0.00 64.21 58.92 1whk n SER 86 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1whk n GLY 87 N -4.30 3.46 3.64 0.23 0.00 -1.26 -4.94 105.19 102.02 1whk n GLY 87 Ca -0.06 -0.88 -0.50 0.00 0.00 0.00 0.00 46.02 44.58 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 1.66 -3.71 1.61 -0.02 -1.26 -4.98 135.00 128.29 1whk n PRO 88 Ca 0.00 0.60 -0.12 0.00 -2.02 0.00 0.00 63.50 61.96 1whk n PRO 88 Cb 0.00 -2.32 -0.12 0.00 -0.02 0.00 0.00 33.50 31.04 1whk n PRO 88 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1whk s SER 89 N 1.38 -0.33 -0.30 2.55 0.01 -1.26 -5.02 113.70 110.73 1whk s SER 89 Ca 0.85 0.65 -0.00 0.00 1.31 0.00 0.00 55.95 58.76 1whk s SER 89 Cb -0.83 0.55 0.00 0.00 0.21 0.00 0.00 66.02 65.95 1whk s SER 89 CO 0.46 -0.18 0.00 -0.24 0.41 0.00 0.00 173.24 173.69 1whk n SER 90 N 4.29 -7.89 0.00 2.44 2.88 -1.26 -5.29 113.62 108.79 1whk n SER 90 Ca -0.24 1.40 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 1whk n SER 90 Cb 0.54 -5.24 0.00 0.00 -0.75 0.00 0.00 64.21 58.76 1whk n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42