#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 -0.69 -0.06 1.61 1.04 -1.26 -5.05 113.70 109.29 1whk s SER 2 Ca 0.00 1.13 -0.05 0.00 0.48 0.00 0.00 55.95 57.52 1whk s SER 2 Cb 0.00 1.27 -0.27 0.00 0.10 0.00 0.00 66.02 67.11 1whk s SER 2 CO 0.00 -0.18 0.61 -1.28 0.98 0.00 0.00 173.24 173.37 1whk h SER 3 N 6.23 0.41 0.00 7.02 0.87 -2.10 -3.50 113.55 122.49 1whk h SER 3 Ca -0.29 -0.73 0.00 0.00 -1.23 0.00 0.00 61.79 59.54 1whk h SER 3 Cb 1.20 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.03 1whk h SER 3 CO 0.17 1.63 0.00 0.61 -0.53 0.00 0.00 176.83 178.71 1whk n GLY 4 N 1.82 3.16 0.05 5.77 0.00 -1.26 -5.05 105.19 109.69 1whk n GLY 4 Ca -0.24 -0.03 -0.02 0.00 0.00 0.00 0.00 46.02 45.72 1whk n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1whk n SER 5 N 0.00 1.57 -2.49 1.61 3.41 -1.26 -5.08 113.62 111.38 1whk n SER 5 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.57 1whk n SER 5 Cb 0.00 1.12 0.00 0.00 -0.26 0.00 0.00 64.21 65.07 1whk n SER 5 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1whk n SER 6 N -2.35 -6.58 -3.74 4.04 2.88 -1.26 -5.07 113.62 101.54 1whk n SER 6 Ca -0.16 0.68 0.02 0.00 -1.33 0.00 0.00 58.87 58.08 1whk n SER 6 Cb 0.77 -4.35 0.01 0.00 -0.75 0.00 0.00 64.21 59.89 1whk n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1whk s GLY 7 N -1.84 -0.10 -0.19 0.46 0.00 -1.26 -5.15 107.32 99.23 1whk s GLY 7 Ca 0.12 0.01 -0.04 0.00 0.00 0.00 0.00 44.72 44.81 1whk s GLY 7 CO 0.59 4.81 -0.02 -0.54 0.00 0.00 0.00 173.10 177.94 1whk s GLU 8 N -2.07 3.55 -0.48 2.90 2.02 -1.26 -5.00 118.70 118.37 1whk s GLU 8 Ca 0.27 -0.56 0.00 0.00 0.02 0.00 0.00 54.97 54.71 1whk s GLU 8 Cb -0.01 -3.01 0.42 0.00 0.10 0.00 0.00 34.13 31.64 1whk s GLU 8 CO 0.00 0.01 1.93 0.41 0.02 0.00 0.00 175.26 177.64 1whk n GLY 9 N 4.21 4.81 1.79 -1.39 0.00 -1.26 -4.24 105.19 109.11 1whk n GLY 9 Ca -0.17 -1.53 -0.03 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.58 1.45 0.00 2.61 5.66 -1.26 -4.77 114.28 117.39 1whk n THR 10 Ca 0.50 -2.80 0.00 0.00 -3.05 0.00 0.00 64.05 58.70 1whk n THR 10 Cb 0.91 0.30 0.00 0.00 -1.55 0.00 0.00 70.33 69.99 1whk n THR 10 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 1whk n VAL 11 N -0.46 0.00 -2.87 1.08 3.14 -1.22 -4.34 118.33 113.66 1whk n VAL 11 Ca 0.18 0.00 -0.39 0.00 -2.96 0.00 0.00 64.34 61.17 1whk n VAL 11 Cb 0.91 -0.02 -0.06 0.00 -1.06 0.00 0.00 33.84 33.61 1whk n VAL 11 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1whk s LYS 12 N -1.40 4.69 0.63 1.45 2.20 -1.26 -4.79 119.74 121.26 1whk s LYS 12 Ca 0.00 1.31 -0.01 0.00 -0.36 0.00 0.00 55.97 56.91 1whk s LYS 12 Cb 0.00 -3.24 0.07 0.00 -1.51 0.00 0.00 37.83 33.15 1whk s LYS 12 CO 0.00 0.53 0.88 -0.51 -0.36 0.00 0.00 175.35 175.89 1whk s LEU 13 N -1.23 3.11 0.00 5.43 1.43 -1.26 -4.98 118.68 121.18 1whk s LEU 13 Ca 0.39 -0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.46 1whk s LEU 13 Cb -0.24 -2.63 -0.00 0.00 0.03 0.00 0.00 46.19 43.34 1whk s LEU 13 CO 0.29 -1.44 0.35 1.41 0.23 0.00 0.00 176.35 177.18 1whk n HIS 14 N -2.59 -1.06 -2.66 0.29 8.25 -1.26 -5.01 115.22 111.18 1whk n HIS 14 Ca 0.10 -2.13 -0.36 0.00 -0.26 0.00 0.00 57.72 55.07 1whk n HIS 14 Cb 0.60 0.38 -0.05 0.00 1.12 0.00 0.00 29.99 32.04 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 -2.85 4.33 -0.57 -0.41 2.02 -1.26 -3.82 118.70 116.14 1whk s GLU 15 Ca 0.28 1.41 -0.03 0.00 0.02 0.00 0.00 54.97 56.65 1whk s GLU 15 Cb 0.00 -2.61 0.00 0.00 0.10 0.00 0.00 34.13 31.63 1whk s GLU 15 CO 0.20 0.03 0.34 0.41 0.02 0.00 0.00 175.26 176.26 1whk n GLY 16 N 0.32 0.29 3.76 -1.39 0.00 -0.19 -5.02 105.19 102.96 1whk n GLY 16 Ca 0.04 -0.37 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.00 4.65 -0.14 1.61 0.01 -1.25 -4.93 113.70 110.65 1whk s SER 17 Ca 0.17 -0.87 -0.01 0.00 1.31 0.00 0.00 55.95 56.55 1whk s SER 17 Cb -0.08 -0.62 -0.02 0.00 0.21 0.00 0.00 66.02 65.52 1whk s SER 17 CO 0.21 -0.44 -0.11 -1.10 0.41 0.00 0.00 173.24 172.21 1whk s GLN 18 N -3.91 3.43 0.22 12.44 -1.52 -1.26 -1.81 119.66 127.25 1whk s GLN 18 Ca 0.40 -0.66 -0.01 0.00 -1.95 0.00 0.00 55.36 53.15 1whk s GLN 18 Cb -0.00 -2.69 -0.03 0.00 -0.22 0.00 0.00 33.01 30.06 1whk s GLN 18 CO 0.23 0.20 0.18 0.14 -0.25 0.00 0.00 175.29 175.80 1whk s VAL 19 N 0.40 0.00 0.02 1.09 -7.23 -0.76 -4.95 120.40 108.98 1whk s VAL 19 Ca -0.09 -1.94 0.02 0.00 -1.81 0.00 0.00 61.98 58.16 1whk s VAL 19 Cb -0.16 -2.48 -0.02 0.00 0.56 0.00 0.00 36.38 34.29 1whk s VAL 19 CO 0.05 0.00 -0.08 -0.22 -0.31 0.00 0.00 175.10 174.54 1whk s LEU 20 N -3.17 2.15 -0.22 1.32 2.96 -1.16 -0.91 118.68 119.64 1whk s LEU 20 Ca 0.38 -0.37 -0.19 0.00 -0.22 0.00 0.00 54.13 53.72 1whk s LEU 20 Cb 0.06 -0.28 -0.03 0.00 0.50 0.00 0.00 46.19 46.44 1whk s LEU 20 CO 0.14 -0.06 0.57 -0.76 -1.32 0.00 0.00 176.35 174.91 1whk s LEU 21 N -0.97 4.11 0.40 -0.68 1.43 -0.95 0.39 118.68 122.41 1whk s LEU 21 Ca -0.04 0.70 0.14 0.00 -1.03 0.00 0.00 54.13 53.90 1whk s LEU 21 Cb -0.07 -2.78 0.84 0.00 0.03 0.00 0.00 46.19 44.21 1whk s LEU 21 CO 0.00 -0.27 1.89 0.71 0.23 0.00 0.00 176.35 178.92 1whk h THR 22 N 5.25 1.19 0.00 5.49 1.35 -1.91 0.32 112.91 124.60 1whk h THR 22 Ca -0.31 -1.02 0.00 0.00 -0.55 0.00 0.00 66.41 64.53 1whk h THR 22 Cb 1.14 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 1whk h THR 22 CO 0.75 0.29 -0.20 -1.28 -0.25 0.00 0.00 175.52 174.84 1whk h SER 23 N 0.00 0.00 -0.05 5.36 0.87 -1.92 -3.38 113.55 114.42 1whk h SER 23 Ca -0.00 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.57 1whk h SER 23 Cb 0.53 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.49 1whk h SER 23 CO 0.04 0.33 0.04 0.28 -0.53 0.00 0.00 176.83 176.99 1whk h SER 24 N -0.46 0.00 -3.80 6.23 0.02 -1.95 -3.45 113.55 110.14 1whk h SER 24 Ca 0.00 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.61 1whk h SER 24 Cb 0.20 0.00 0.05 0.00 0.14 0.00 0.00 62.40 62.79 1whk h SER 24 CO 0.00 0.00 -0.51 -3.20 -1.14 0.00 0.00 176.83 171.98 1whk n ASN 25 N -4.29 -5.41 -4.08 3.07 5.15 0.11 -5.00 115.26 104.82 1whk n ASN 25 Ca -0.02 -0.24 -0.20 0.00 -0.60 0.00 0.00 54.58 53.52 1whk n ASN 25 Cb 0.14 -4.25 -0.15 0.00 -0.53 0.00 0.00 39.78 35.00 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 -5.50 0.92 0.30 1.20 0.41 -1.24 -4.90 118.70 109.89 1whk s GLU 26 Ca 0.25 -0.48 -0.29 0.00 -0.41 0.00 0.00 54.97 54.04 1whk s GLU 26 Cb -0.11 -0.89 -0.10 0.00 -1.78 0.00 0.00 34.13 31.25 1whk s GLU 26 CO 0.31 0.24 1.29 -1.64 -0.49 0.00 0.00 175.26 174.97 1whk s MET 27 N -0.45 4.39 0.01 1.61 -1.94 -1.26 -2.23 119.30 119.43 1whk s MET 27 Ca 0.04 2.15 0.01 0.00 -1.71 0.00 0.00 55.69 56.18 1whk s MET 27 Cb -0.05 -3.11 -0.01 0.00 2.01 0.00 0.00 34.83 33.67 1whk s MET 27 CO -0.00 -0.17 -0.04 0.00 -0.01 0.00 0.00 175.02 174.80 1whk s ALA 28 N -0.87 0.31 -0.02 3.03 0.00 -0.09 -4.85 121.76 119.27 1whk s ALA 28 Ca 0.50 -0.37 -0.11 0.00 0.00 0.00 0.00 51.96 51.98 1whk s ALA 28 Cb -0.39 -0.00 -0.05 0.00 0.00 0.00 0.00 23.12 22.68 1whk s ALA 28 CO 0.49 0.00 0.31 0.99 0.00 0.00 0.00 175.76 177.55 1whk s THR 29 N -0.64 5.21 -0.18 0.00 2.01 -1.19 -1.82 115.64 119.03 1whk s THR 29 Ca -0.05 0.54 -0.25 0.00 0.31 0.00 0.00 61.69 62.24 1whk s THR 29 Cb -0.05 -3.60 -0.01 0.00 0.01 0.00 0.00 72.50 68.85 1whk s THR 29 CO -0.00 0.53 0.83 -0.69 -0.69 0.00 0.00 174.62 174.60 1whk s VAL 30 N -1.13 4.88 -0.10 3.82 1.01 -0.75 -1.50 120.40 126.64 1whk s VAL 30 Ca 0.23 1.62 0.08 0.00 0.00 0.00 0.00 61.98 63.91 1whk s VAL 30 Cb -0.15 -4.13 -0.11 0.00 0.00 0.00 0.00 36.38 31.99 1whk s VAL 30 CO 0.12 0.02 0.02 0.54 0.00 0.00 0.00 175.10 175.79 1whk n ARG 31 N 5.32 2.24 -3.83 2.72 5.12 -0.65 -1.02 116.66 126.56 1whk n ARG 31 Ca 0.05 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.86 1whk n ARG 31 Cb 0.49 -1.24 -0.09 0.00 -1.16 0.00 0.00 32.46 30.46 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 -0.00 -0.22 -1.55 6.14 -1.18 -4.81 117.35 113.50 1whk s TYR 32 Ca -0.06 -0.13 -0.03 0.00 0.64 0.00 0.00 57.07 57.48 1whk s TYR 32 Cb 0.03 -0.00 0.11 0.00 0.42 0.00 0.00 41.96 42.52 1whk s TYR 32 CO 0.38 -0.40 0.29 0.08 0.64 0.00 0.00 175.55 176.53 1whk s VAL 33 N -2.12 -0.44 -1.24 3.14 1.01 -1.26 -1.94 120.40 117.55 1whk s VAL 33 Ca -0.08 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1whk s VAL 33 Cb -0.03 -0.74 0.00 0.00 0.00 0.00 0.00 36.38 35.61 1whk s VAL 33 CO -0.01 -0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.52 1whk n GLY 34 N 5.34 -0.60 0.25 4.51 0.00 -1.19 -5.05 105.19 108.45 1whk n GLY 34 Ca -0.05 -0.63 -0.02 0.00 0.00 0.00 0.00 46.02 45.32 1whk n GLY 34 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1whk n PRO 35 N 0.00 -1.13 -3.84 1.61 -0.04 -1.26 -2.26 135.00 128.08 1whk n PRO 35 Ca 0.00 -0.12 -0.11 0.00 -0.04 0.00 0.00 63.50 63.23 1whk n PRO 35 Cb 0.00 -0.11 -0.09 0.00 -0.04 0.00 0.00 33.50 33.26 1whk n PRO 35 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1whk s THR 36 N -1.14 0.09 -0.53 0.52 -4.23 -1.23 -4.67 115.64 104.45 1whk s THR 36 Ca 0.05 -0.78 0.02 0.00 -1.18 0.00 0.00 61.69 59.80 1whk s THR 36 Cb -0.00 -0.73 0.45 0.00 1.34 0.00 0.00 72.50 73.56 1whk s THR 36 CO 0.04 -0.43 1.70 -0.67 -0.54 0.00 0.00 174.62 174.72 1whk n ASP 37 N 1.00 6.60 0.00 3.99 2.03 -1.26 -3.69 116.55 125.21 1whk n ASP 37 Ca -0.20 -3.78 0.00 0.00 0.52 0.00 0.00 54.79 51.33 1whk n ASP 37 Cb 0.57 -0.73 0.00 0.00 -0.72 0.00 0.00 41.12 40.24 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 -0.81 -1.39 -0.06 -0.67 -1.74 -1.26 -4.85 117.46 106.68 1whk n PHE 38 Ca 0.55 0.00 -0.01 0.00 -0.56 0.00 0.00 57.45 57.43 1whk n PHE 38 Cb 0.76 0.29 -0.16 0.00 1.52 0.00 0.00 39.48 41.88 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 -2.08 2.06 -2.61 1.98 0.00 -1.26 -5.07 120.51 113.53 1whk n ALA 39 Ca 0.00 -0.97 -0.00 0.00 0.00 0.00 0.00 53.44 52.47 1whk n ALA 39 Cb 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1whk n ALA 39 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1whk n SER 40 N -2.52 -7.51 0.00 0.00 7.64 -1.24 -5.03 113.62 104.96 1whk n SER 40 Ca -0.20 1.29 0.00 0.00 1.01 0.00 0.00 58.87 60.97 1whk n SER 40 Cb 0.89 -4.97 0.00 0.00 -1.01 0.00 0.00 64.21 59.13 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 0.62 -1.45 3.45 0.23 0.00 -1.26 -4.94 105.19 101.83 1whk n GLY 41 Ca 0.00 -1.09 -0.43 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.87 4.38 0.49 -0.61 1.09 -1.26 -3.46 121.20 118.95 1whk s ILE 42 Ca 0.00 -0.40 0.05 0.00 -1.10 0.00 0.00 60.65 59.20 1whk s ILE 42 Cb 0.00 -4.66 -0.01 0.00 -1.06 0.00 0.00 42.46 36.74 1whk s ILE 42 CO 0.00 -1.41 0.22 0.26 -0.10 0.00 0.00 174.94 173.91 1whk s TRP 43 N 3.91 2.02 -0.25 3.97 0.52 -0.96 -4.41 118.94 123.74 1whk s TRP 43 Ca 0.21 -0.79 -0.04 0.00 0.02 0.00 0.00 56.10 55.51 1whk s TRP 43 Cb -0.17 -1.85 0.10 0.00 -1.15 0.00 0.00 33.47 30.39 1whk s TRP 43 CO 0.10 -0.06 0.16 -0.51 0.02 0.00 0.00 176.95 176.66 1whk s LEU 44 N -4.05 0.26 -0.84 2.99 1.43 0.12 -3.16 118.68 115.44 1whk s LEU 44 Ca 0.29 -0.87 -0.26 0.00 -1.03 0.00 0.00 54.13 52.26 1whk s LEU 44 Cb 0.01 -0.06 -0.13 0.00 0.03 0.00 0.00 46.19 46.04 1whk s LEU 44 CO 0.17 -0.39 2.31 -0.83 0.23 0.00 0.00 176.35 177.84 1whk s GLY 45 N 2.19 -0.69 0.93 -3.19 0.00 -0.82 -3.64 107.32 102.11 1whk s GLY 45 Ca 0.07 -0.98 -0.14 0.00 0.00 0.00 0.00 44.72 43.68 1whk s GLY 45 CO -0.26 4.12 1.18 1.08 0.00 0.00 0.00 173.10 179.23 1whk s LEU 46 N 14.25 2.13 -0.29 0.66 1.43 -1.23 -1.64 118.68 134.00 1whk s LEU 46 Ca 0.88 0.73 -0.04 0.00 -1.03 0.00 0.00 54.13 54.67 1whk s LEU 46 Cb -0.11 -2.97 0.16 0.00 0.03 0.00 0.00 46.19 43.30 1whk s LEU 46 CO 0.07 -2.62 0.58 -0.70 0.23 0.00 0.00 176.35 173.92 1whk s GLU 47 N -5.49 0.54 0.84 1.70 -6.30 -0.56 -3.80 118.70 105.62 1whk s GLU 47 Ca 0.66 1.11 -0.07 0.00 -2.50 0.00 0.00 54.97 54.17 1whk s GLU 47 Cb -0.11 0.55 0.17 0.00 0.00 0.00 0.00 34.13 34.74 1whk s GLU 47 CO 0.53 -0.46 1.15 -0.51 0.02 0.00 0.00 175.26 175.98 1whk s LEU 48 N 2.83 2.86 -0.34 2.70 1.43 -1.06 -3.16 118.68 123.93 1whk s LEU 48 Ca 0.10 -0.17 0.07 0.00 -1.03 0.00 0.00 54.13 53.10 1whk s LEU 48 Cb -0.14 -1.98 0.56 0.00 0.03 0.00 0.00 46.19 44.66 1whk s LEU 48 CO -0.19 -2.31 1.61 0.54 0.23 0.00 0.00 176.35 176.22 1whk n ARG 49 N -3.27 1.97 -2.38 1.70 1.74 -1.26 -4.84 116.66 110.31 1whk n ARG 49 Ca 0.16 -3.15 -0.01 0.00 -0.77 0.00 0.00 57.85 54.09 1whk n ARG 49 Cb 0.60 -1.93 0.01 0.00 -1.02 0.00 0.00 32.46 30.11 1whk n ARG 49 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1whk n SER 50 N -1.13 -0.59 -4.16 0.55 2.88 -1.26 -5.07 113.62 104.83 1whk n SER 50 Ca 0.42 -1.28 -0.44 0.00 -1.33 0.00 0.00 58.87 56.24 1whk n SER 50 Cb 1.24 0.95 0.00 0.00 -0.75 0.00 0.00 64.21 65.65 1whk n SER 50 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1whk n ALA 51 N -2.21 4.72 -2.41 -1.46 0.00 -1.26 -4.36 120.51 113.54 1whk n ALA 51 Ca -0.05 -4.67 0.03 0.00 0.00 0.00 0.00 53.44 48.75 1whk n ALA 51 Cb 0.21 -2.50 0.05 0.00 0.00 0.00 0.00 19.45 17.21 1whk n ALA 51 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1whk n LYS 52 N 2.39 0.47 0.00 0.00 5.02 -1.12 -4.97 118.16 119.94 1whk n LYS 52 Ca 0.27 -2.38 0.00 0.00 -2.02 0.00 0.00 58.31 54.18 1whk n LYS 52 Cb 0.36 -0.43 0.00 0.00 -0.02 0.00 0.00 35.03 34.94 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 0.14 3.46 1.39 0.72 0.00 -0.94 -4.98 105.19 104.98 1whk n GLY 53 Ca 0.09 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.47 1.61 5.02 -1.16 -4.82 118.16 117.34 1whk n LYS 54 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.99 1whk n LYS 54 Cb 0.00 -0.06 0.09 0.00 -0.02 0.00 0.00 35.03 35.04 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 -2.83 4.48 -0.17 4.39 0.02 -1.10 -4.00 114.94 115.74 1whk s ASN 55 Ca 0.00 1.44 0.15 0.00 -1.02 0.00 0.00 52.86 53.43 1whk s ASN 55 Cb 0.00 -2.19 -0.21 0.00 0.02 0.00 0.00 41.25 38.87 1whk s ASN 55 CO 0.00 -1.99 0.05 -0.90 0.02 0.00 0.00 177.10 174.28 1whk n ASP 56 N -3.46 0.85 0.00 -1.22 5.75 -1.26 -0.62 116.55 116.59 1whk n ASP 56 Ca 0.07 -0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.85 1whk n ASP 56 Cb 0.55 0.89 0.00 0.00 -1.03 0.00 0.00 41.12 41.53 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 1.96 0.84 2.93 6.12 0.00 -1.26 -3.92 105.19 111.86 1whk n GLY 57 Ca -0.28 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.16 -0.11 4.61 0.00 -1.26 -2.39 121.76 122.45 1whk s ALA 58 Ca 0.00 0.23 0.02 0.00 0.00 0.00 0.00 51.96 52.21 1whk s ALA 58 Cb 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 23.12 22.99 1whk s ALA 58 CO 0.00 -0.04 -0.18 0.08 0.00 0.00 0.00 175.76 175.61 1whk s VAL 59 N 0.16 1.70 0.00 0.00 1.01 -0.66 -4.97 120.40 117.64 1whk s VAL 59 Ca -0.01 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1whk s VAL 59 Cb -0.02 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.85 1whk s VAL 59 CO -0.00 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.19 1whk n GLY 60 N 3.97 1.26 1.47 4.51 0.00 -1.26 -3.26 105.19 111.89 1whk n GLY 60 Ca -0.20 -0.55 -0.10 0.00 0.00 0.00 0.00 46.02 45.17 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 7.42 2.84 -3.65 1.61 5.75 -1.26 -4.98 116.55 124.28 1whk n ASP 61 Ca 0.00 -3.75 -0.11 0.00 -0.01 0.00 0.00 54.79 50.92 1whk n ASP 61 Cb 0.00 -0.69 -0.05 0.00 -1.03 0.00 0.00 41.12 39.34 1whk n ASP 61 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1whk s LYS 62 N -3.28 1.02 0.07 0.11 2.20 -1.20 -5.16 119.74 113.50 1whk s LYS 62 Ca 0.48 -0.62 0.08 0.00 -0.36 0.00 0.00 55.97 55.55 1whk s LYS 62 Cb 0.43 0.45 -0.03 0.00 -1.51 0.00 0.00 37.83 37.17 1whk s LYS 62 CO 0.03 -0.38 -0.22 -0.98 -0.36 0.00 0.00 175.35 173.43 1whk s ARG 63 N -3.44 1.35 -0.03 4.03 1.70 -1.26 -1.65 118.95 119.65 1whk s ARG 63 Ca 0.01 -1.07 0.08 0.00 -0.47 0.00 0.00 55.73 54.28 1whk s ARG 63 Cb 0.01 -1.56 -0.13 0.00 -0.57 0.00 0.00 34.95 32.71 1whk s ARG 63 CO -0.09 0.39 0.15 0.66 -1.08 0.00 0.00 175.30 175.32 1whk n TYR 64 N 1.51 0.00 -3.81 5.89 4.01 -1.05 -4.99 117.16 118.71 1whk n TYR 64 Ca -0.18 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.53 1whk n TYR 64 Cb 0.53 -0.24 0.00 0.00 -0.31 0.00 0.00 39.34 39.32 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 -2.50 -0.03 -0.08 -0.72 -0.71 -1.00 -4.02 117.98 108.91 1whk s PHE 65 Ca -0.03 -0.33 0.04 0.00 -1.04 0.00 0.00 56.93 55.57 1whk s PHE 65 Cb 0.05 0.67 -0.01 0.00 -1.21 0.00 0.00 43.02 42.52 1whk s PHE 65 CO 0.35 -0.89 -0.21 -0.08 -1.34 0.00 0.00 175.22 173.06 1whk s THR 66 N -2.75 2.40 -0.01 -4.49 -1.32 -1.26 -4.34 115.64 103.87 1whk s THR 66 Ca 0.16 -0.93 -0.19 0.00 -1.21 0.00 0.00 61.69 59.52 1whk s THR 66 Cb -0.02 -1.92 0.06 0.00 -1.51 0.00 0.00 72.50 69.11 1whk s THR 66 CO 0.04 0.56 0.87 0.00 -2.21 0.00 0.00 174.62 173.88 1whk s LYS 68 N -2.01 2.12 0.03 0.00 1.02 -1.26 -4.71 119.74 114.94 1whk s LYS 68 Ca 0.20 -0.42 -0.33 0.00 0.02 0.00 0.00 55.97 55.44 1whk s LYS 68 Cb -0.01 -2.22 -0.12 0.00 -0.52 0.00 0.00 37.83 34.97 1whk s LYS 68 CO -0.00 -1.24 1.78 -2.30 -0.92 0.00 0.00 175.35 172.67 1whk n PRO 69 N -2.87 2.29 -3.27 -1.68 -0.02 -1.26 -2.52 135.00 125.66 1whk n PRO 69 Ca 0.09 0.83 -0.15 0.00 -2.02 0.00 0.00 63.50 62.25 1whk n PRO 69 Cb 0.60 -2.66 0.08 0.00 -0.02 0.00 0.00 33.50 31.49 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 5.45 -4.53 -0.03 2.55 4.13 0.21 -4.87 115.26 118.18 1whk n ASN 70 Ca 0.20 -0.65 -0.05 0.00 1.68 0.00 0.00 54.58 55.76 1whk n ASN 70 Cb 0.31 -5.01 -0.02 0.00 -1.54 0.00 0.00 39.78 33.52 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 -2.76 3.10 4.02 -0.73 -2.21 117.16 115.04 1whk n TYR 71 Ca -0.16 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.53 1whk n TYR 71 Cb 0.64 -0.19 0.03 0.00 -0.02 0.00 0.00 39.34 39.80 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 -4.98 1.86 -0.10 2.72 0.00 -1.25 -2.58 107.32 103.00 1whk s GLY 72 Ca -0.07 -1.46 -0.03 0.00 0.00 0.00 0.00 44.72 43.15 1whk s GLY 72 CO 0.10 -1.20 0.12 -1.34 0.00 0.00 0.00 173.10 170.78 1whk s VAL 73 N -2.64 -0.19 -0.32 1.40 -7.23 -1.25 -2.71 120.40 107.46 1whk s VAL 73 Ca 0.57 0.24 -0.29 0.00 -1.81 0.00 0.00 61.98 60.69 1whk s VAL 73 Cb -0.10 -0.34 0.01 0.00 0.56 0.00 0.00 36.38 36.51 1whk s VAL 73 CO 0.37 0.04 1.25 -0.76 -0.31 0.00 0.00 175.10 175.69 1whk s LEU 74 N 2.23 3.86 0.23 1.32 1.43 -1.26 -3.47 118.68 123.02 1whk s LEU 74 Ca 0.04 1.11 -0.01 0.00 -1.03 0.00 0.00 54.13 54.24 1whk s LEU 74 Cb -0.13 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.51 1whk s LEU 74 CO -0.06 -1.06 0.19 0.68 0.23 0.00 0.00 176.35 176.33 1whk s VAL 75 N 4.27 0.00 0.24 -1.59 -7.23 -1.24 -4.94 120.40 109.91 1whk s VAL 75 Ca 0.54 -1.93 0.07 0.00 -1.81 0.00 0.00 61.98 58.84 1whk s VAL 75 Cb -0.15 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 1whk s VAL 75 CO 0.22 0.00 0.16 -0.13 -0.31 0.00 0.00 175.10 175.05 1whk s ARG 76 N -4.02 2.85 0.19 4.82 0.52 -1.26 0.15 118.95 122.20 1whk s ARG 76 Ca 0.37 -1.06 -0.21 0.00 -0.52 0.00 0.00 55.73 54.31 1whk s ARG 76 Cb 0.05 -2.53 0.13 0.00 0.52 0.00 0.00 34.95 33.12 1whk s ARG 76 CO 0.14 0.41 1.58 -1.35 0.02 0.00 0.00 175.30 176.10 1whk h PRO 77 N 1.70 -0.14 -0.14 3.54 0.11 -1.86 1.61 132.00 136.81 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 1.23 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1whk h PRO 77 CO 0.61 -0.09 0.25 1.03 -0.21 0.00 0.00 178.00 179.58 1whk h SER 78 N -0.15 0.00 0.62 -2.05 0.87 -1.95 0.96 113.55 111.85 1whk h SER 78 Ca 0.24 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 1whk h SER 78 Cb 0.56 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 1whk h SER 78 CO -0.73 0.00 -0.54 0.54 -0.53 0.00 0.00 176.83 175.58 1whk n ARG 79 N -3.43 0.09 -4.51 2.24 5.12 0.53 -4.80 116.66 111.90 1whk n ARG 79 Ca 0.01 0.02 -0.30 0.00 -1.93 0.00 0.00 57.85 55.66 1whk n ARG 79 Cb 0.35 -1.55 -0.17 0.00 -1.16 0.00 0.00 32.46 29.93 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 -3.05 1.64 0.12 1.55 -7.23 0.33 -3.28 120.40 110.48 1whk s VAL 80 Ca 0.10 -0.73 -0.31 0.00 -1.81 0.00 0.00 61.98 59.23 1whk s VAL 80 Cb 0.16 -1.48 -0.09 0.00 0.56 0.00 0.00 36.38 35.53 1whk s VAL 80 CO 0.70 0.47 1.49 -0.89 -0.31 0.00 0.00 175.10 176.56 1whk s THR 81 N 0.95 3.05 0.04 5.32 2.01 0.16 -4.58 115.64 122.59 1whk s THR 81 Ca -0.07 0.72 0.00 0.00 0.31 0.00 0.00 61.69 62.65 1whk s THR 81 Cb -0.15 -3.46 0.00 0.00 0.01 0.00 0.00 72.50 68.90 1whk s THR 81 CO -0.02 0.04 0.00 0.00 -0.69 0.00 0.00 174.62 173.96 1whk n TYR 82 N 4.25 -2.22 0.00 4.92 4.19 -1.26 -3.00 117.16 124.04 1whk n TYR 82 Ca 0.13 0.14 0.00 0.00 3.31 0.00 0.00 57.90 61.48 1whk n TYR 82 Cb 0.41 0.71 0.00 0.00 0.49 0.00 0.00 39.34 40.95 1whk n TYR 82 CO 0.00 0.00 0.00 -2.13 0.91 0.00 0.00 176.86 175.64 1whk n ARG 83 N -2.75 0.00 0.00 2.98 0.63 -1.26 -4.66 116.66 111.60 1whk n ARG 83 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1whk n ARG 83 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1whk n ARG 83 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1whk n GLY 84 N 0.00 3.25 3.29 5.14 0.00 -1.26 -3.46 105.19 112.15 1whk n GLY 84 Ca 0.00 -0.18 -0.45 0.00 0.00 0.00 0.00 46.02 45.39 1whk n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1whk s ILE 85 N -0.08 5.25 -0.08 -0.61 1.09 -1.26 -4.90 121.20 120.61 1whk s ILE 85 Ca 0.00 -2.28 -0.24 0.00 -1.10 0.00 0.00 60.65 57.04 1whk s ILE 85 Cb 0.00 -4.29 -0.19 0.00 -1.06 0.00 0.00 42.46 36.91 1whk s ILE 85 CO 0.00 -0.96 0.88 -1.28 -0.10 0.00 0.00 174.94 173.48 1whk h SER 86 N 7.97 -0.06 -0.89 3.58 0.87 -1.99 -3.47 113.55 119.57 1whk h SER 86 Ca -0.01 -0.59 0.18 0.00 -1.23 0.00 0.00 61.79 60.14 1whk h SER 86 Cb 1.05 0.02 -0.23 0.00 -0.44 0.00 0.00 62.40 62.79 1whk h SER 86 CO 0.82 0.62 0.15 -0.83 -0.53 0.00 0.00 176.83 177.06 1whk s GLY 87 N -3.59 -0.32 0.89 5.77 0.00 -1.26 -5.17 107.32 103.64 1whk s GLY 87 Ca -0.15 2.86 -0.11 0.00 0.00 0.00 0.00 44.72 47.31 1whk s GLY 87 CO 0.57 3.37 1.09 2.56 0.00 0.00 0.00 173.10 180.69 1whk s PRO 88 N 2.61 1.34 -0.08 2.90 0.04 -1.26 -5.06 135.00 135.49 1whk s PRO 88 Ca -0.00 0.94 -0.00 0.00 0.04 0.00 0.00 61.00 61.97 1whk s PRO 88 Cb -0.08 -1.81 0.02 0.00 0.04 0.00 0.00 34.50 32.68 1whk s PRO 88 CO -0.16 -2.22 -0.04 0.45 0.04 0.00 0.00 177.00 175.07 1whk s SER 89 N -3.33 1.63 0.11 6.66 0.15 -1.26 -5.13 113.70 112.53 1whk s SER 89 Ca 0.63 -0.18 -0.23 0.00 0.70 0.00 0.00 55.95 56.88 1whk s SER 89 Cb -0.18 -0.60 0.06 0.00 -1.71 0.00 0.00 66.02 63.59 1whk s SER 89 CO 0.57 -0.12 0.57 -0.44 1.20 0.00 0.00 173.24 175.02 1whk s SER 90 N 1.53 -0.51 0.00 5.45 0.01 -1.26 -5.33 113.70 113.60 1whk s SER 90 Ca -0.00 0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.32 1whk s SER 90 Cb -0.13 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.66 1whk s SER 90 CO -0.04 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 173.35