#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 -6.21 -4.70 1.61 3.41 -1.26 -4.70 113.62 101.78 1whk n SER 2 Ca 0.00 0.36 -0.36 0.00 -0.26 0.00 0.00 58.87 58.61 1whk n SER 2 Cb 0.00 -1.03 -0.08 0.00 -0.26 0.00 0.00 64.21 62.84 1whk n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1whk s SER 3 N -4.69 6.24 -1.35 4.04 0.15 -1.26 -5.01 113.70 111.81 1whk s SER 3 Ca 0.00 0.26 -0.12 0.00 0.70 0.00 0.00 55.95 56.79 1whk s SER 3 Cb 0.00 -2.12 0.11 0.00 -1.71 0.00 0.00 66.02 62.29 1whk s SER 3 CO 0.00 0.10 2.00 0.61 1.20 0.00 0.00 173.24 177.15 1whk n GLY 4 N 3.81 4.45 3.75 9.45 0.00 -1.26 -4.97 105.19 120.41 1whk n GLY 4 Ca -0.14 -1.85 -0.41 0.00 0.00 0.00 0.00 46.02 43.62 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 2.11 7.17 -0.14 1.61 0.15 -1.26 -5.02 113.70 118.32 1whk s SER 5 Ca 0.44 2.23 -0.33 0.00 0.70 0.00 0.00 55.95 58.99 1whk s SER 5 Cb 0.11 -2.61 0.13 0.00 -1.71 0.00 0.00 66.02 61.93 1whk s SER 5 CO -0.03 -0.27 1.12 -0.55 1.20 0.00 0.00 173.24 174.70 1whk s SER 6 N -0.26 -0.20 0.00 5.45 0.15 -1.26 -5.09 113.70 112.49 1whk s SER 6 Ca 0.49 0.01 0.00 0.00 0.70 0.00 0.00 55.95 57.16 1whk s SER 6 Cb -0.32 0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.20 1whk s SER 6 CO 0.38 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 175.10 1whk n GLY 7 N -0.09 -0.16 3.58 9.45 0.00 -1.26 -5.07 105.19 111.64 1whk n GLY 7 Ca -0.02 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1whk n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1whk s GLU 8 N -1.46 3.48 0.00 1.61 2.12 -1.26 -4.93 118.70 118.26 1whk s GLU 8 Ca 0.00 0.20 0.00 0.00 0.36 0.00 0.00 54.97 55.53 1whk s GLU 8 Cb 0.00 -4.03 0.00 0.00 0.26 0.00 0.00 34.13 30.36 1whk s GLU 8 CO 0.00 -1.73 0.00 0.41 -0.54 0.00 0.00 175.26 173.40 1whk n GLY 9 N 5.10 1.62 2.70 -1.50 0.00 -1.26 -5.12 105.19 106.73 1whk n GLY 9 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 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 3.76 0.50 -0.18 2.61 2.01 -1.26 -5.00 115.64 118.09 1whk s THR 10 Ca 0.00 -0.79 -0.12 0.00 0.31 0.00 0.00 61.69 61.09 1whk s THR 10 Cb 0.00 -1.17 -0.08 0.00 0.01 0.00 0.00 72.50 71.26 1whk s THR 10 CO 0.00 -0.41 -0.27 0.52 -0.69 0.00 0.00 174.62 173.77 1whk n VAL 11 N 5.04 1.26 -1.45 3.82 0.31 -1.26 -5.12 118.33 120.93 1whk n VAL 11 Ca -0.07 -0.12 0.18 0.00 -0.01 0.00 0.00 64.34 64.32 1whk n VAL 11 Cb 0.45 -1.92 -0.09 0.00 -0.91 0.00 0.00 33.84 31.37 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 -4.05 -3.32 -1.71 5.55 4.76 -1.26 -4.95 118.16 113.17 1whk n LYS 12 Ca -0.31 2.69 -0.20 0.00 -2.87 0.00 0.00 58.31 57.62 1whk n LYS 12 Cb 0.66 -3.89 0.13 0.00 -1.84 0.00 0.00 35.03 30.08 1whk n LYS 12 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1whk n LEU 13 N -4.34 0.00 0.00 -0.35 4.32 -1.26 -5.12 117.00 110.24 1whk n LEU 13 Ca -0.09 -1.31 -0.12 0.00 -0.02 0.00 0.00 56.01 54.47 1whk n LEU 13 Cb 0.69 -0.65 -0.04 0.00 -1.62 0.00 0.00 43.42 41.80 1whk n LEU 13 CO 0.04 -1.07 -0.07 1.57 -1.22 0.00 0.00 177.39 176.63 1whk n HIS 14 N -3.01 -0.12 -3.43 -1.77 -0.00 -1.26 -5.07 115.22 100.56 1whk n HIS 14 Ca 0.13 -1.43 -0.38 0.00 0.46 0.00 0.00 57.72 56.50 1whk n HIS 14 Cb 0.44 0.06 -0.06 0.00 -0.12 0.00 0.00 29.99 30.31 1whk n HIS 14 CO 0.00 0.00 0.00 -1.21 0.46 0.00 0.00 176.34 175.59 1whk s GLU 15 N -2.78 4.00 -0.63 1.57 2.02 -1.26 -4.15 118.70 117.47 1whk s GLU 15 Ca 0.15 0.50 -0.01 0.00 0.02 0.00 0.00 54.97 55.64 1whk s GLU 15 Cb 0.01 -3.19 0.00 0.00 0.10 0.00 0.00 34.13 31.05 1whk s GLU 15 CO 0.11 0.65 0.09 0.41 0.02 0.00 0.00 175.26 176.54 1whk n GLY 16 N 1.65 0.12 3.90 -1.39 0.00 -0.02 -5.03 105.19 104.43 1whk n GLY 16 Ca -0.12 -0.51 -0.24 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.75 4.76 0.11 1.61 0.01 -1.22 -4.89 113.70 111.33 1whk s SER 17 Ca 0.05 -1.08 0.10 0.00 1.31 0.00 0.00 55.95 56.32 1whk s SER 17 Cb -0.02 0.12 -0.04 0.00 0.21 0.00 0.00 66.02 66.29 1whk s SER 17 CO 0.06 -0.99 -0.22 -1.10 0.41 0.00 0.00 173.24 171.40 1whk s GLN 18 N -4.26 1.65 0.34 12.44 -1.52 -1.26 0.07 119.66 127.11 1whk s GLN 18 Ca 0.41 -1.23 0.00 0.00 -1.95 0.00 0.00 55.36 52.58 1whk s GLN 18 Cb -0.02 -2.03 -0.01 0.00 -0.22 0.00 0.00 33.01 30.73 1whk s GLN 18 CO 0.25 0.47 0.42 0.14 -0.25 0.00 0.00 175.29 176.32 1whk s VAL 19 N -1.08 0.00 -0.06 1.09 -7.23 -0.17 -4.67 120.40 108.28 1whk s VAL 19 Ca 0.16 -1.71 -0.03 0.00 -1.81 0.00 0.00 61.98 58.59 1whk s VAL 19 Cb -0.10 -2.60 0.03 0.00 0.56 0.00 0.00 36.38 34.27 1whk s VAL 19 CO 0.08 0.00 0.14 -0.22 -0.31 0.00 0.00 175.10 174.79 1whk s LEU 20 N -3.27 0.84 0.24 1.32 2.96 0.14 -1.94 118.68 118.96 1whk s LEU 20 Ca 0.33 0.29 -0.30 0.00 -0.22 0.00 0.00 54.13 54.23 1whk s LEU 20 Cb 0.00 0.36 -0.09 0.00 0.50 0.00 0.00 46.19 46.97 1whk s LEU 20 CO 0.22 -0.13 1.04 -0.76 -1.32 0.00 0.00 176.35 175.40 1whk s LEU 21 N 1.02 4.56 -0.45 -0.68 1.43 -0.58 -1.39 118.68 122.60 1whk s LEU 21 Ca -0.08 2.11 0.04 0.00 -1.03 0.00 0.00 54.13 55.17 1whk s LEU 21 Cb -0.10 -3.61 0.63 0.00 0.03 0.00 0.00 46.19 43.13 1whk s LEU 21 CO -0.05 -0.07 1.87 1.07 0.23 0.00 0.00 176.35 179.40 1whk n THR 22 N 1.64 3.16 0.02 5.49 5.66 -1.20 -3.22 114.28 125.83 1whk n THR 22 Ca -0.00 -2.13 -0.01 0.00 -3.05 0.00 0.00 64.05 58.86 1whk n THR 22 Cb 0.46 -0.51 -0.00 0.00 -1.55 0.00 0.00 70.33 68.73 1whk n THR 22 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1whk n SER 23 N -1.13 0.54 -0.10 1.09 3.41 -1.26 -4.86 113.62 111.31 1whk n SER 23 Ca 0.57 0.07 0.04 0.00 -0.26 0.00 0.00 58.87 59.29 1whk n SER 23 Cb 1.51 -0.17 0.06 0.00 -0.26 0.00 0.00 64.21 65.35 1whk n SER 23 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1whk n SER 24 N -3.25 1.68 -2.93 4.04 7.64 -1.26 -5.06 113.62 114.48 1whk n SER 24 Ca -0.01 -2.37 -0.05 0.00 1.01 0.00 0.00 58.87 57.45 1whk n SER 24 Cb 0.29 -0.21 0.01 0.00 -1.01 0.00 0.00 64.21 63.28 1whk n SER 24 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1whk n ASN 25 N -0.79 -7.45 -3.66 6.43 4.13 -1.20 -5.04 115.26 107.68 1whk n ASN 25 Ca 0.07 0.88 -0.07 0.00 1.68 0.00 0.00 54.58 57.14 1whk n ASN 25 Cb 0.50 -4.12 -0.08 0.00 -1.54 0.00 0.00 39.78 34.54 1whk n ASN 25 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1whk s GLU 26 N -1.74 0.41 0.59 3.52 0.41 -1.25 -4.95 118.70 115.69 1whk s GLU 26 Ca 0.08 1.13 -0.14 0.00 -0.41 0.00 0.00 54.97 55.63 1whk s GLU 26 Cb -0.02 0.43 -0.05 0.00 -1.78 0.00 0.00 34.13 32.72 1whk s GLU 26 CO 0.61 -0.23 1.03 -1.64 -0.49 0.00 0.00 175.26 174.54 1whk s MET 27 N 2.55 3.53 0.07 1.61 -1.94 -1.26 -1.53 119.30 122.32 1whk s MET 27 Ca -0.04 1.01 -0.26 0.00 -1.71 0.00 0.00 55.69 54.68 1whk s MET 27 Cb -0.11 -2.07 0.07 0.00 2.01 0.00 0.00 34.83 34.73 1whk s MET 27 CO -0.15 -0.63 0.63 0.00 -0.01 0.00 0.00 175.02 174.87 1whk s ALA 28 N -2.72 -1.67 -0.15 3.03 0.00 -0.82 -4.88 121.76 114.54 1whk s ALA 28 Ca 0.60 0.85 -0.12 0.00 0.00 0.00 0.00 51.96 53.29 1whk s ALA 28 Cb -0.13 0.49 -0.05 0.00 0.00 0.00 0.00 23.12 23.44 1whk s ALA 28 CO 0.40 -0.59 0.23 0.99 0.00 0.00 0.00 175.76 176.79 1whk s THR 29 N -2.61 5.35 -0.04 0.00 2.01 -1.02 -1.00 115.64 118.32 1whk s THR 29 Ca -0.04 0.40 -0.30 0.00 0.31 0.00 0.00 61.69 62.06 1whk s THR 29 Cb -0.01 -3.55 -0.03 0.00 0.01 0.00 0.00 72.50 68.93 1whk s THR 29 CO -0.03 0.46 1.03 -0.69 -0.69 0.00 0.00 174.62 174.69 1whk s VAL 30 N 0.09 4.72 -0.05 3.82 1.01 0.11 -1.38 120.40 128.71 1whk s VAL 30 Ca 0.14 1.96 0.00 0.00 0.00 0.00 0.00 61.98 64.09 1whk s VAL 30 Cb -0.12 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 31.96 1whk s VAL 30 CO 0.03 0.09 -0.05 0.54 0.00 0.00 0.00 175.10 175.71 1whk n ARG 31 N 4.42 0.14 -4.36 2.72 5.12 -0.97 -0.84 116.66 122.90 1whk n ARG 31 Ca 0.08 0.03 -0.22 0.00 -1.93 0.00 0.00 57.85 55.81 1whk n ARG 31 Cb 0.49 -1.10 -0.13 0.00 -1.16 0.00 0.00 32.46 30.56 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 -2.10 1.48 -0.24 -1.55 5.04 -1.23 -4.73 117.35 114.02 1whk s TYR 32 Ca -0.07 -0.40 -0.03 0.00 -2.44 0.00 0.00 57.07 54.13 1whk s TYR 32 Cb 0.02 -0.85 0.10 0.00 0.35 0.00 0.00 41.96 41.58 1whk s TYR 32 CO 0.12 0.09 0.21 0.08 -1.34 0.00 0.00 175.55 174.71 1whk s VAL 33 N -1.00 -0.27 0.00 3.14 1.01 -1.26 -2.19 120.40 119.82 1whk s VAL 33 Ca 0.03 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1whk s VAL 33 Cb -0.09 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.48 1whk s VAL 33 CO 0.02 -0.39 0.00 0.61 0.00 0.00 0.00 175.10 175.35 1whk n GLY 34 N 5.30 2.00 3.59 4.51 0.00 -1.10 -5.01 105.19 114.48 1whk n GLY 34 Ca -0.05 -1.09 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.97 1.16 -3.11 1.61 -0.02 -1.22 -3.04 135.00 129.40 1whk n PRO 35 Ca 0.00 0.42 -0.20 0.00 -2.02 0.00 0.00 63.50 61.70 1whk n PRO 35 Cb 0.00 -1.99 0.05 0.00 -0.02 0.00 0.00 33.50 31.54 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 -0.78 0.00 -0.10 3.45 -2.24 -1.25 -4.91 114.28 108.45 1whk n THR 36 Ca 0.10 -1.93 -0.18 0.00 -2.27 0.00 0.00 64.05 59.77 1whk n THR 36 Cb 0.41 -0.42 -0.13 0.00 -2.10 0.00 0.00 70.33 68.09 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 -2.23 1.92 -0.05 3.42 2.03 -1.26 -4.41 116.55 115.96 1whk n ASP 37 Ca 0.12 -0.07 -0.05 0.00 0.52 0.00 0.00 54.79 55.31 1whk n ASP 37 Cb 0.59 -0.43 0.15 0.00 -0.72 0.00 0.00 41.12 40.71 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 0.01 0.74 -3.29 -0.67 -5.15 -1.98 -3.45 116.94 103.15 1whk h PHE 38 Ca -0.55 -0.14 -0.41 0.00 -0.20 0.00 0.00 57.97 56.67 1whk h PHE 38 Cb 1.94 -0.19 -0.14 0.00 0.22 0.00 0.00 35.95 37.78 1whk h PHE 38 CO 0.04 0.79 -0.61 0.00 -2.00 0.00 0.00 178.31 176.53 1whk s ALA 39 N -4.68 2.05 0.28 12.09 0.00 -1.26 -5.17 121.76 125.07 1whk s ALA 39 Ca -0.08 -1.97 0.07 0.00 0.00 0.00 0.00 51.96 49.98 1whk s ALA 39 Cb 0.14 0.85 -0.03 0.00 0.00 0.00 0.00 23.12 24.07 1whk s ALA 39 CO 0.81 -0.38 0.24 -1.12 0.00 0.00 0.00 175.76 175.31 1whk s SER 40 N -3.40 5.49 0.00 0.00 0.01 -1.26 -3.77 113.70 110.76 1whk s SER 40 Ca 0.37 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.31 1whk s SER 40 Cb 0.08 -1.27 0.00 0.00 0.21 0.00 0.00 66.02 65.04 1whk s SER 40 CO 0.15 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.25 1whk n GLY 41 N -1.27 0.91 3.21 3.44 0.00 -1.26 -4.89 105.19 105.34 1whk n GLY 41 Ca -0.06 -1.54 -0.23 0.00 0.00 0.00 0.00 46.02 44.20 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 1.44 0.30 -0.61 1.01 -1.26 -3.46 121.20 118.61 1whk s ILE 42 Ca 0.00 -1.20 -0.02 0.00 0.00 0.00 0.00 60.65 59.43 1whk s ILE 42 Cb 0.00 -1.29 -0.01 0.00 0.01 0.00 0.00 42.46 41.17 1whk s ILE 42 CO 0.00 0.05 0.37 0.26 0.00 0.00 0.00 174.94 175.62 1whk s TRP 43 N -0.92 1.12 -0.21 3.97 0.52 -1.17 -4.66 118.94 117.60 1whk s TRP 43 Ca 0.04 -1.30 -0.04 0.00 0.02 0.00 0.00 56.10 54.82 1whk s TRP 43 Cb -0.09 -0.26 0.10 0.00 -1.15 0.00 0.00 33.47 32.06 1whk s TRP 43 CO 0.02 -0.97 0.23 -0.51 0.02 0.00 0.00 176.95 175.74 1whk s LEU 44 N -3.22 -0.14 -1.07 2.99 1.43 0.11 -2.72 118.68 116.06 1whk s LEU 44 Ca 0.33 -0.19 -0.23 0.00 -1.03 0.00 0.00 54.13 53.01 1whk s LEU 44 Cb 0.02 0.43 -0.02 0.00 0.03 0.00 0.00 46.19 46.65 1whk s LEU 44 CO 0.19 -0.32 1.79 -0.83 0.23 0.00 0.00 176.35 177.40 1whk s GLY 45 N 2.34 0.68 0.89 -3.19 0.00 -0.93 -2.72 107.32 104.39 1whk s GLY 45 Ca 0.07 -2.10 -0.12 0.00 0.00 0.00 0.00 44.72 42.57 1whk s GLY 45 CO -0.12 3.19 1.12 1.08 0.00 0.00 0.00 173.10 178.37 1whk s LEU 46 N 8.14 2.11 -0.15 0.66 1.43 0.26 -2.28 118.68 128.84 1whk s LEU 46 Ca 0.61 1.09 -0.07 0.00 -1.03 0.00 0.00 54.13 54.73 1whk s LEU 46 Cb -0.02 -3.47 0.06 0.00 0.03 0.00 0.00 46.19 42.79 1whk s LEU 46 CO 0.02 -2.48 0.34 -0.70 0.23 0.00 0.00 176.35 173.76 1whk s GLU 47 N -5.20 0.30 0.57 1.70 2.12 -0.48 -2.58 118.70 115.13 1whk s GLU 47 Ca 0.63 0.72 0.10 0.00 0.36 0.00 0.00 54.97 56.78 1whk s GLU 47 Cb -0.15 -0.03 0.09 0.00 0.26 0.00 0.00 34.13 34.30 1whk s GLU 47 CO 0.54 -0.18 0.78 -0.51 -0.54 0.00 0.00 175.26 175.35 1whk s LEU 48 N 1.56 3.09 -0.30 2.70 1.43 -0.85 -2.45 118.68 123.86 1whk s LEU 48 Ca -0.08 -0.86 0.08 0.00 -1.03 0.00 0.00 54.13 52.25 1whk s LEU 48 Cb -0.10 -1.62 0.51 0.00 0.03 0.00 0.00 46.19 45.01 1whk s LEU 48 CO -0.11 -1.33 1.48 0.54 0.23 0.00 0.00 176.35 177.15 1whk n ARG 49 N -2.23 1.90 -2.94 1.70 1.74 -1.26 -4.79 116.66 110.79 1whk n ARG 49 Ca 0.15 -3.23 0.00 0.00 -0.77 0.00 0.00 57.85 54.00 1whk n ARG 49 Cb 0.62 -1.85 0.01 0.00 -1.02 0.00 0.00 32.46 30.22 1whk n ARG 49 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1whk n SER 50 N -1.11 -0.78 -4.55 0.55 3.41 -1.26 -5.07 113.62 104.80 1whk n SER 50 Ca 0.35 -1.28 -0.43 0.00 -0.26 0.00 0.00 58.87 57.24 1whk n SER 50 Cb 1.04 1.24 -0.00 0.00 -0.26 0.00 0.00 64.21 66.23 1whk n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1whk s ALA 51 N -1.56 3.41 -0.10 7.33 0.00 -1.26 -4.23 121.76 125.35 1whk s ALA 51 Ca 0.15 -2.95 0.24 0.00 0.00 0.00 0.00 51.96 49.40 1whk s ALA 51 Cb -0.01 -4.50 0.45 0.00 0.00 0.00 0.00 23.12 19.05 1whk s ALA 51 CO 0.01 -3.21 1.15 1.63 0.00 0.00 0.00 175.76 175.34 1whk n LYS 52 N 7.78 0.68 -2.09 0.00 5.02 -0.81 -4.98 118.16 123.76 1whk n LYS 52 Ca 0.44 -2.52 -0.01 0.00 -2.02 0.00 0.00 58.31 54.21 1whk n LYS 52 Cb 0.46 -0.58 -0.00 0.00 -0.02 0.00 0.00 35.03 34.89 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 0.03 4.03 0.16 0.72 0.00 -0.74 -4.89 105.19 104.51 1whk n GLY 53 Ca 0.05 -1.80 -0.01 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.03 0.02 -3.24 1.61 4.01 -1.23 -4.59 118.16 114.71 1whk n LYS 54 Ca 0.00 0.01 -0.32 0.00 -0.51 0.00 0.00 58.31 57.49 1whk n LYS 54 Cb 0.02 -0.94 -0.06 0.00 -0.51 0.00 0.00 35.03 33.55 1whk n LYS 54 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 1whk s ASN 55 N -4.25 6.70 0.31 4.39 0.01 -1.23 -4.45 114.94 116.42 1whk s ASN 55 Ca -0.01 1.12 0.16 0.00 -0.71 0.00 0.00 52.86 53.42 1whk s ASN 55 Cb 0.00 -2.31 0.11 0.00 0.41 0.00 0.00 41.25 39.47 1whk s ASN 55 CO 0.02 -0.16 1.47 -2.24 -1.51 0.00 0.00 177.10 174.68 1whk h ASP 56 N 2.31 0.00 0.00 -1.22 2.03 -1.86 -2.95 116.42 114.73 1whk h ASP 56 Ca -0.47 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.83 1whk h ASP 56 Cb 1.17 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.67 1whk h ASP 56 CO 0.67 0.41 0.00 0.61 -1.03 0.00 0.00 179.24 179.90 1whk n GLY 57 N 1.20 0.36 3.26 7.15 0.00 -1.26 -3.78 105.19 112.12 1whk n GLY 57 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 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 1.45 -0.21 4.61 0.00 -1.26 -2.25 121.76 124.11 1whk s ALA 58 Ca 0.00 -1.66 -0.02 0.00 0.00 0.00 0.00 51.96 50.28 1whk s ALA 58 Cb 0.00 0.67 0.06 0.00 0.00 0.00 0.00 23.12 23.86 1whk s ALA 58 CO 0.00 -0.35 0.02 0.08 0.00 0.00 0.00 175.76 175.51 1whk s VAL 59 N -3.68 0.73 0.00 0.00 1.01 -1.26 -4.95 120.40 112.25 1whk s VAL 59 Ca 0.28 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.51 1whk s VAL 59 Cb 0.06 -1.22 0.00 0.00 0.00 0.00 0.00 36.38 35.22 1whk s VAL 59 CO 0.07 -0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.54 1whk n GLY 60 N 4.97 0.65 1.42 4.51 0.00 -1.26 -3.96 105.19 111.51 1whk n GLY 60 Ca -0.09 -1.06 -0.09 0.00 0.00 0.00 0.00 46.02 44.78 1whk n GLY 60 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1whk n ASP 61 N 3.38 2.75 -4.18 1.61 -0.08 -1.26 -5.00 116.55 113.77 1whk n ASP 61 Ca 0.00 -3.76 -0.27 0.00 -1.51 0.00 0.00 54.79 49.25 1whk n ASP 61 Cb 0.00 -0.68 -0.08 0.00 2.34 0.00 0.00 41.12 42.70 1whk n ASP 61 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 1whk s LYS 62 N -3.27 1.98 0.02 -0.67 2.20 -1.25 -5.17 119.74 113.58 1whk s LYS 62 Ca 0.48 -2.22 0.04 0.00 -0.36 0.00 0.00 55.97 53.90 1whk s LYS 62 Cb 0.43 -0.72 -0.02 0.00 -1.51 0.00 0.00 37.83 36.01 1whk s LYS 62 CO 0.02 -0.48 -0.12 0.50 -0.36 0.00 0.00 175.35 174.91 1whk s ARG 63 N -3.72 0.89 0.16 4.03 6.06 -1.26 -4.08 118.95 121.03 1whk s ARG 63 Ca 0.21 -0.61 0.00 0.00 -2.50 0.00 0.00 55.73 52.83 1whk s ARG 63 Cb 0.02 -0.86 0.00 0.00 0.06 0.00 0.00 34.95 34.17 1whk s ARG 63 CO 0.13 0.22 0.00 0.66 -2.50 0.00 0.00 175.30 173.81 1whk n TYR 64 N 2.23 -1.30 -4.15 5.12 4.01 -1.26 -5.02 117.16 116.80 1whk n TYR 64 Ca -0.17 0.23 -0.09 0.00 -0.16 0.00 0.00 57.90 57.71 1whk n TYR 64 Cb 0.55 0.43 -0.10 0.00 -0.31 0.00 0.00 39.34 39.92 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 -2.00 0.80 -0.18 -0.72 -0.71 -0.95 -4.44 117.98 109.77 1whk s PHE 65 Ca 0.00 -1.09 0.01 0.00 -1.04 0.00 0.00 56.93 54.81 1whk s PHE 65 Cb 0.00 -0.49 0.02 0.00 -1.21 0.00 0.00 43.02 41.35 1whk s PHE 65 CO 0.00 -0.36 -0.18 0.99 -1.34 0.00 0.00 175.22 174.33 1whk s THR 66 N -3.87 1.99 0.30 -4.49 2.01 -1.26 -4.19 115.64 106.13 1whk s THR 66 Ca 0.16 -0.96 -0.19 0.00 0.31 0.00 0.00 61.69 61.01 1whk s THR 66 Cb 0.07 -1.84 0.05 0.00 0.01 0.00 0.00 72.50 70.80 1whk s THR 66 CO -0.03 0.48 0.85 0.00 -0.69 0.00 0.00 174.62 175.22 1whk s LYS 68 N -2.71 0.31 0.10 0.00 3.01 -1.26 -4.56 119.74 114.63 1whk s LYS 68 Ca 0.15 0.54 -0.32 0.00 -1.01 0.00 0.00 55.97 55.33 1whk s LYS 68 Cb -0.04 -1.72 -0.11 0.00 -1.01 0.00 0.00 37.83 34.94 1whk s LYS 68 CO 0.08 -2.82 1.83 -2.30 0.51 0.00 0.00 175.35 172.65 1whk n PRO 69 N -4.24 2.66 -3.24 -1.68 -0.02 -1.26 -2.72 135.00 124.51 1whk n PRO 69 Ca 0.05 0.97 -0.15 0.00 -2.02 0.00 0.00 63.50 62.35 1whk n PRO 69 Cb 0.57 -2.85 0.08 0.00 -0.02 0.00 0.00 33.50 31.28 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 5.64 -4.07 0.00 2.55 4.13 -1.12 -4.83 115.26 117.56 1whk n ASN 70 Ca 0.19 -0.62 0.00 0.00 1.68 0.00 0.00 54.58 55.83 1whk n ASN 70 Cb 0.36 -4.85 0.00 0.00 -1.54 0.00 0.00 39.78 33.74 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 -3.54 0.00 -3.26 3.10 4.02 -1.10 -1.79 117.16 114.59 1whk n TYR 71 Ca -0.17 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.51 1whk n TYR 71 Cb 0.64 0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.99 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 -4.34 1.59 -0.02 2.72 0.00 -1.24 -2.02 107.32 104.00 1whk s GLY 72 Ca 0.00 -1.30 -0.12 0.00 0.00 0.00 0.00 44.72 43.31 1whk s GLY 72 CO 0.00 -1.17 0.25 -1.34 0.00 0.00 0.00 173.10 170.84 1whk s VAL 73 N -2.34 0.06 -0.17 1.40 -7.23 -1.06 -3.51 120.40 107.54 1whk s VAL 73 Ca 0.46 -0.46 -0.05 0.00 -1.81 0.00 0.00 61.98 60.12 1whk s VAL 73 Cb -0.10 -0.52 -0.03 0.00 0.56 0.00 0.00 36.38 36.29 1whk s VAL 73 CO 0.34 -0.25 0.01 -0.76 -0.31 0.00 0.00 175.10 174.12 1whk s LEU 74 N -1.10 3.44 0.35 1.32 1.43 -1.26 -0.58 118.68 122.28 1whk s LEU 74 Ca -0.12 -0.07 0.03 0.00 -1.03 0.00 0.00 54.13 52.94 1whk s LEU 74 Cb -0.05 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.30 1whk s LEU 74 CO 0.03 0.15 0.39 0.68 0.23 0.00 0.00 176.35 177.82 1whk s VAL 75 N 0.51 0.00 0.14 -1.59 -7.23 -1.10 -4.92 120.40 106.20 1whk s VAL 75 Ca -0.01 -1.81 0.06 0.00 -1.81 0.00 0.00 61.98 58.42 1whk s VAL 75 Cb -0.14 -2.60 -0.04 0.00 0.56 0.00 0.00 36.38 34.17 1whk s VAL 75 CO 0.02 0.00 0.00 -0.13 -0.31 0.00 0.00 175.10 174.68 1whk s ARG 76 N -3.14 2.46 0.19 4.82 0.52 -1.26 0.06 118.95 122.60 1whk s ARG 76 Ca 0.36 -0.98 -0.20 0.00 -0.52 0.00 0.00 55.73 54.39 1whk s ARG 76 Cb 0.01 -2.44 0.15 0.00 0.52 0.00 0.00 34.95 33.18 1whk s ARG 76 CO 0.26 0.49 1.59 -1.35 0.02 0.00 0.00 175.30 176.31 1whk h PRO 77 N 3.03 -0.13 -0.15 3.54 0.11 -1.88 1.54 132.00 138.06 1whk h PRO 77 Ca -0.47 0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.69 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 0.58 -0.09 0.24 1.03 -0.21 0.00 0.00 178.00 179.56 1whk h SER 78 N -0.14 0.00 0.55 -2.05 0.87 -1.98 0.95 113.55 111.76 1whk h SER 78 Ca 0.25 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1whk h SER 78 Cb 0.55 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1whk h SER 78 CO -0.70 0.00 -0.48 0.54 -0.53 0.00 0.00 176.83 175.66 1whk n ARG 79 N -3.48 0.02 -4.52 2.24 5.12 0.51 -4.91 116.66 111.64 1whk n ARG 79 Ca 0.01 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.69 1whk n ARG 79 Cb 0.35 -1.51 -0.11 0.00 -1.16 0.00 0.00 32.46 30.03 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 -3.01 1.85 -0.02 1.55 -7.23 0.33 -3.20 120.40 110.66 1whk s VAL 80 Ca 0.11 -2.09 -0.15 0.00 -1.81 0.00 0.00 61.98 58.03 1whk s VAL 80 Cb 0.17 -2.72 0.03 0.00 0.56 0.00 0.00 36.38 34.42 1whk s VAL 80 CO 0.69 -0.14 0.32 0.42 -0.31 0.00 0.00 175.10 176.08 1whk s THR 81 N -2.85 0.05 0.00 5.32 -4.23 -0.48 -4.84 115.64 108.61 1whk s THR 81 Ca 0.33 -0.42 0.00 0.00 -1.18 0.00 0.00 61.69 60.42 1whk s THR 81 Cb 0.06 -0.61 0.00 0.00 1.34 0.00 0.00 72.50 73.28 1whk s THR 81 CO 0.16 -0.23 0.97 0.00 -0.54 0.00 0.00 174.62 174.97 1whk n TYR 82 N 1.39 0.00 -2.76 3.99 4.11 -1.26 0.26 117.16 122.88 1whk n TYR 82 Ca -0.21 -0.47 -0.01 0.00 -0.00 0.00 0.00 57.90 57.22 1whk n TYR 82 Cb 0.56 0.48 -0.01 0.00 -0.00 0.00 0.00 39.34 40.38 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 0.00 -3.28 -0.01 -3.48 1.74 -1.26 -4.97 116.66 105.40 1whk n ARG 83 Ca -0.26 2.65 -0.10 0.00 -0.77 0.00 0.00 57.85 59.37 1whk n ARG 83 Cb 0.69 -4.75 -0.08 0.00 -1.02 0.00 0.00 32.46 27.30 1whk n ARG 83 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1whk h GLY 84 N 3.34 -0.10 -6.20 -0.13 0.00 -2.01 -3.48 103.07 94.49 1whk h GLY 84 Ca -0.09 0.04 0.16 0.00 0.00 0.00 0.00 47.33 47.44 1whk h GLY 84 CO 0.07 -0.04 0.65 -1.50 0.00 0.00 0.00 176.54 175.73 1whk s ILE 85 N -2.71 0.00 0.00 2.60 2.07 -1.26 -5.07 121.20 116.83 1whk s ILE 85 Ca -0.12 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.12 1whk s ILE 85 Cb -0.01 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.58 1whk s ILE 85 CO 0.46 0.00 0.00 -1.20 -1.91 0.00 0.00 174.94 172.29 1whk n SER 86 N 2.75 0.00 0.00 4.50 7.64 -1.26 -5.13 113.62 122.11 1whk n SER 86 Ca -0.15 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.73 1whk n SER 86 Cb 0.57 0.34 0.00 0.00 -1.01 0.00 0.00 64.21 64.11 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 -0.88 1.77 3.03 0.23 0.00 -1.26 -5.02 105.19 103.05 1whk n GLY 87 Ca 0.00 0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1whk n GLY 87 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1whk n PRO 88 N 0.00 1.30 -3.69 1.61 -0.04 -1.26 -4.81 135.00 128.11 1whk n PRO 88 Ca 0.00 -1.51 -0.19 0.00 -0.04 0.00 0.00 63.50 61.76 1whk n PRO 88 Cb 0.00 -2.66 -0.05 0.00 -0.04 0.00 0.00 33.50 30.75 1whk n PRO 88 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1whk n SER 89 N 6.67 1.71 0.00 3.54 7.64 -1.26 -5.05 113.62 126.86 1whk n SER 89 Ca 0.44 -2.49 0.00 0.00 1.01 0.00 0.00 58.87 57.83 1whk n SER 89 Cb 0.30 0.56 0.00 0.00 -1.01 0.00 0.00 64.21 64.06 1whk n SER 89 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1whk n SER 90 N -1.54 -0.00 0.00 6.43 7.64 -1.26 -5.25 113.62 119.63 1whk n SER 90 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.81 1whk n SER 90 Cb 0.42 0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 1whk n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64