#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whk h SER 2 N 0.00 0.22 -3.25 1.61 0.02 -1.96 -3.46 113.55 106.73 1whk h SER 2 Ca 0.00 -0.79 -0.56 0.00 -0.84 0.00 0.00 61.79 59.61 1whk h SER 2 Cb 0.00 -0.07 -0.35 0.00 0.14 0.00 0.00 62.40 62.12 1whk h SER 2 CO 0.00 1.49 -0.82 -0.44 -1.14 0.00 0.00 176.83 175.91 1whk s SER 3 N -6.85 2.26 0.12 3.07 0.01 -1.26 -5.06 113.70 105.99 1whk s SER 3 Ca -0.22 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 56.66 1whk s SER 3 Cb 0.04 -0.98 0.00 0.00 0.21 0.00 0.00 66.02 65.29 1whk s SER 3 CO 0.71 -0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.94 1whk n GLY 4 N 4.41 -3.12 1.95 3.44 0.00 -1.26 -5.05 105.19 105.56 1whk n GLY 4 Ca -0.18 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.67 1whk n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1whk n SER 5 N -1.55 -8.37 -2.12 1.61 2.88 -1.26 -4.87 113.62 99.95 1whk n SER 5 Ca 0.00 1.28 -0.28 0.00 -1.33 0.00 0.00 58.87 58.55 1whk n SER 5 Cb 0.07 -4.72 0.09 0.00 -0.75 0.00 0.00 64.21 58.91 1whk n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1whk n SER 6 N 1.73 5.95 0.00 -3.46 7.64 -1.26 -4.82 113.62 119.41 1whk n SER 6 Ca 0.00 -3.76 0.00 0.00 1.01 0.00 0.00 58.87 56.12 1whk n SER 6 Cb 0.00 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 1whk n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1whk n GLY 7 N -0.93 0.84 3.22 0.23 0.00 -1.26 -5.15 105.19 102.14 1whk n GLY 7 Ca 0.55 -0.81 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.76 0.92 0.00 1.61 2.12 -1.26 -5.07 118.70 115.25 1whk s GLU 8 Ca 0.00 -1.13 0.00 0.00 0.36 0.00 0.00 54.97 54.20 1whk s GLU 8 Cb 0.00 0.32 0.00 0.00 0.26 0.00 0.00 34.13 34.71 1whk s GLU 8 CO 0.00 -0.29 0.00 0.41 -0.54 0.00 0.00 175.26 174.84 1whk n GLY 9 N -0.09 1.14 3.27 -1.50 0.00 -1.26 -5.06 105.19 101.69 1whk n GLY 9 Ca -0.11 -0.68 -0.24 0.00 0.00 0.00 0.00 46.02 44.99 1whk n GLY 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1whk s THR 10 N 0.00 1.64 0.00 2.61 -4.23 -1.26 -4.99 115.64 109.41 1whk s THR 10 Ca 0.00 -1.45 0.00 0.00 -1.18 0.00 0.00 61.69 59.06 1whk s THR 10 Cb 0.00 -1.48 0.00 0.00 1.34 0.00 0.00 72.50 72.36 1whk s THR 10 CO 0.00 -0.02 0.00 0.52 -0.54 0.00 0.00 174.62 174.58 1whk n VAL 11 N 1.26 0.00 -2.30 2.29 0.31 -1.26 -4.91 118.33 113.71 1whk n VAL 11 Ca -0.19 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.09 1whk n VAL 11 Cb 0.54 -0.55 0.07 0.00 -0.91 0.00 0.00 33.84 32.98 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 -2.35 1.88 -2.52 5.55 4.76 -1.26 -5.06 118.16 119.16 1whk n LYS 12 Ca 0.00 -3.34 -0.04 0.00 -2.87 0.00 0.00 58.31 52.06 1whk n LYS 12 Cb 0.11 -1.47 -0.03 0.00 -1.84 0.00 0.00 35.03 31.81 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 -0.50 -6.34 0.00 -0.35 4.77 -1.26 -5.01 117.00 108.31 1whk n LEU 13 Ca 0.20 2.53 -0.13 0.00 -0.03 0.00 0.00 56.01 58.57 1whk n LEU 13 Cb 0.90 -3.30 0.05 0.00 -2.33 0.00 0.00 43.42 38.74 1whk n LEU 13 CO 0.12 -3.73 0.25 1.41 -1.33 0.00 0.00 177.39 174.12 1whk n HIS 14 N 1.77 -2.54 -2.37 -1.77 8.25 -1.26 -4.82 115.22 112.48 1whk n HIS 14 Ca -0.29 -1.42 -0.42 0.00 -0.26 0.00 0.00 57.72 55.32 1whk n HIS 14 Cb 0.45 -0.38 -0.02 0.00 1.12 0.00 0.00 29.99 31.16 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 -3.79 3.44 0.00 -0.41 2.02 -1.26 -3.75 118.70 114.95 1whk s GLU 15 Ca 0.41 0.71 0.00 0.00 0.02 0.00 0.00 54.97 56.12 1whk s GLU 15 Cb -0.03 -4.07 0.00 0.00 0.10 0.00 0.00 34.13 30.13 1whk s GLU 15 CO 0.26 -1.74 0.00 0.41 0.02 0.00 0.00 175.26 174.21 1whk n GLY 16 N 5.17 0.96 3.61 -1.39 0.00 -0.76 -5.03 105.19 107.75 1whk n GLY 16 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.25 3.52 -0.13 1.61 0.01 -1.25 -4.97 113.70 111.25 1whk s SER 17 Ca 0.00 -1.46 0.02 0.00 1.31 0.00 0.00 55.95 55.83 1whk s SER 17 Cb 0.00 -0.06 0.01 0.00 0.21 0.00 0.00 66.02 66.18 1whk s SER 17 CO 0.00 -0.61 -0.21 -1.10 0.41 0.00 0.00 173.24 171.74 1whk s GLN 18 N -3.79 2.82 0.03 12.44 -1.52 -1.26 -2.37 119.66 126.01 1whk s GLN 18 Ca 0.28 -0.78 0.01 0.00 -1.95 0.00 0.00 55.36 52.92 1whk s GLN 18 Cb 0.07 -2.28 -0.02 0.00 -0.22 0.00 0.00 33.01 30.57 1whk s GLN 18 CO 0.14 -0.00 -0.05 0.14 -0.25 0.00 0.00 175.29 175.26 1whk s VAL 19 N 0.80 0.31 0.06 1.09 -7.23 -0.83 -4.59 120.40 110.01 1whk s VAL 19 Ca -0.08 -0.99 0.06 0.00 -1.81 0.00 0.00 61.98 59.16 1whk s VAL 19 Cb -0.16 -0.42 -0.04 0.00 0.56 0.00 0.00 36.38 36.32 1whk s VAL 19 CO -0.01 -0.44 -0.12 -0.22 -0.31 0.00 0.00 175.10 174.00 1whk s LEU 20 N -1.51 2.91 -0.28 1.32 2.96 0.13 -0.38 118.68 123.83 1whk s LEU 20 Ca -0.13 -0.35 -0.17 0.00 -0.22 0.00 0.00 54.13 53.26 1whk s LEU 20 Cb -0.10 -1.71 -0.02 0.00 0.50 0.00 0.00 46.19 44.86 1whk s LEU 20 CO -0.00 0.23 0.49 -0.76 -1.32 0.00 0.00 176.35 174.99 1whk s LEU 21 N -1.75 4.10 0.48 -0.68 1.43 -0.99 -1.75 118.68 119.51 1whk s LEU 21 Ca 0.18 0.37 0.14 0.00 -1.03 0.00 0.00 54.13 53.79 1whk s LEU 21 Cb -0.11 -2.61 1.11 0.00 0.03 0.00 0.00 46.19 44.62 1whk s LEU 21 CO 0.09 -0.31 2.08 0.71 0.23 0.00 0.00 176.35 179.15 1whk h THR 22 N 5.44 1.06 0.00 5.49 1.35 -1.93 0.83 112.91 125.16 1whk h THR 22 Ca -0.29 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 1whk h THR 22 Cb 1.14 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 1whk h THR 22 CO 0.71 0.08 -0.13 -1.28 -0.25 0.00 0.00 175.52 174.65 1whk h SER 23 N 0.07 0.00 -0.04 5.36 0.87 -1.92 -3.38 113.55 114.51 1whk h SER 23 Ca 0.02 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.59 1whk h SER 23 Cb 0.12 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1whk h SER 23 CO 0.01 0.27 0.03 -1.28 -0.53 0.00 0.00 176.83 175.33 1whk h SER 24 N -0.40 0.00 -4.79 6.23 0.87 -1.96 -3.46 113.55 110.03 1whk h SER 24 Ca 0.00 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.23 1whk h SER 24 Cb 0.13 0.00 0.10 0.00 -0.44 0.00 0.00 62.40 62.20 1whk h SER 24 CO 0.00 0.00 -0.55 -3.20 -0.53 0.00 0.00 176.83 172.55 1whk n ASN 25 N -4.35 -5.60 -3.87 6.23 5.15 0.29 -4.99 115.26 108.12 1whk n ASN 25 Ca -0.02 -0.41 -0.13 0.00 -0.60 0.00 0.00 54.58 53.42 1whk n ASN 25 Cb 0.13 -4.24 -0.14 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 -5.99 0.08 0.73 1.20 0.41 -1.23 -4.90 118.70 109.00 1whk s GLU 26 Ca 0.45 -0.01 -0.13 0.00 -0.41 0.00 0.00 54.97 54.87 1whk s GLU 26 Cb -0.20 -0.11 0.04 0.00 -1.78 0.00 0.00 34.13 32.08 1whk s GLU 26 CO 0.55 -0.00 1.12 -1.64 -0.49 0.00 0.00 175.26 174.80 1whk s MET 27 N 0.11 2.39 -0.06 1.61 -1.94 -1.26 -2.35 119.30 117.80 1whk s MET 27 Ca -0.01 1.35 -0.25 0.00 -1.71 0.00 0.00 55.69 55.07 1whk s MET 27 Cb -0.02 -1.90 0.06 0.00 2.01 0.00 0.00 34.83 34.97 1whk s MET 27 CO -0.00 -1.57 0.56 0.00 -0.01 0.00 0.00 175.02 174.00 1whk s ALA 28 N -2.54 -1.46 -0.09 3.03 0.00 0.48 -4.86 121.76 116.32 1whk s ALA 28 Ca 0.65 1.07 -0.12 0.00 0.00 0.00 0.00 51.96 53.57 1whk s ALA 28 Cb -0.20 -0.08 -0.05 0.00 0.00 0.00 0.00 23.12 22.79 1whk s ALA 28 CO 0.49 -0.33 0.29 0.99 0.00 0.00 0.00 175.76 177.19 1whk s THR 29 N -1.07 5.27 -0.17 0.00 2.01 -1.25 -1.97 115.64 118.46 1whk s THR 29 Ca -0.11 0.55 -0.27 0.00 0.31 0.00 0.00 61.69 62.17 1whk s THR 29 Cb -0.02 -3.59 -0.01 0.00 0.01 0.00 0.00 72.50 68.89 1whk s THR 29 CO 0.07 0.52 0.91 -0.69 -0.69 0.00 0.00 174.62 174.75 1whk s VAL 30 N -0.49 4.82 -0.13 3.82 1.01 -1.00 -1.89 120.40 126.54 1whk s VAL 30 Ca 0.18 1.81 -0.05 0.00 0.00 0.00 0.00 61.98 63.92 1whk s VAL 30 Cb -0.14 -4.21 -0.06 0.00 0.00 0.00 0.00 36.38 31.97 1whk s VAL 30 CO 0.07 -0.02 -0.16 0.54 0.00 0.00 0.00 175.10 175.54 1whk n ARG 31 N 5.40 0.28 -5.29 2.72 5.12 -1.03 -1.82 116.66 122.03 1whk n ARG 31 Ca 0.07 0.11 -0.31 0.00 -1.93 0.00 0.00 57.85 55.79 1whk n ARG 31 Cb 0.48 -1.00 -0.16 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 -2.24 2.36 -0.13 -1.55 6.14 -1.23 -4.69 117.35 116.01 1whk s TYR 32 Ca -0.18 -0.54 -0.04 0.00 0.64 0.00 0.00 57.07 56.96 1whk s TYR 32 Cb 0.06 -1.53 0.05 0.00 0.42 0.00 0.00 41.96 40.97 1whk s TYR 32 CO 0.23 -0.10 0.10 0.08 0.64 0.00 0.00 175.55 176.50 1whk s VAL 33 N -0.45 -0.12 -5.00 3.14 1.01 -1.26 -0.18 120.40 117.54 1whk s VAL 33 Ca 0.05 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.06 1whk s VAL 33 Cb -0.11 -0.45 0.00 0.00 0.00 0.00 0.00 36.38 35.81 1whk s VAL 33 CO 0.01 -0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.59 1whk n GLY 34 N 5.29 -2.69 3.44 4.51 0.00 -1.18 -5.05 105.19 109.51 1whk n GLY 34 Ca -0.06 -1.35 -0.34 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.98 -0.04 -4.09 1.61 -0.02 -1.26 -3.39 135.00 126.83 1whk n PRO 35 Ca 0.00 0.04 -0.26 0.00 -2.02 0.00 0.00 63.50 61.26 1whk n PRO 35 Cb 0.00 -1.86 -0.05 0.00 -0.02 0.00 0.00 33.50 31.57 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 -3.11 0.00 -0.08 3.45 -2.24 -1.26 -4.90 114.28 106.14 1whk n THR 36 Ca 0.08 -1.91 -0.18 0.00 -2.27 0.00 0.00 64.05 59.78 1whk n THR 36 Cb 0.52 0.35 -0.06 0.00 -2.10 0.00 0.00 70.33 69.05 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 -1.28 1.23 -0.08 3.42 -0.08 -1.26 -4.69 116.55 113.80 1whk n ASP 37 Ca -0.16 0.21 -0.14 0.00 -1.51 0.00 0.00 54.79 53.19 1whk n ASP 37 Cb 0.51 -0.51 -0.05 0.00 2.34 0.00 0.00 41.12 43.42 1whk n ASP 37 CO 0.00 0.00 0.00 2.19 0.12 0.00 0.00 177.20 179.51 1whk h PHE 38 N -0.61 0.90 -6.09 -0.67 -0.00 -1.99 -3.45 116.94 105.02 1whk h PHE 38 Ca -0.41 -0.30 -0.45 0.00 -0.00 0.00 0.00 57.97 56.82 1whk h PHE 38 Cb 1.33 -0.18 0.05 0.00 -0.00 0.00 0.00 35.95 37.14 1whk h PHE 38 CO -0.07 1.07 -0.00 0.00 -0.00 0.00 0.00 178.31 179.31 1whk n ALA 39 N -2.52 0.82 -3.77 12.09 0.00 -1.26 -5.12 120.51 120.76 1whk n ALA 39 Ca -0.04 -1.94 -0.26 0.00 0.00 0.00 0.00 53.44 51.19 1whk n ALA 39 Cb 0.53 0.46 -0.17 0.00 0.00 0.00 0.00 19.45 20.27 1whk n ALA 39 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1whk s SER 40 N -4.56 2.52 0.00 0.00 0.15 -1.26 -4.54 113.70 106.01 1whk s SER 40 Ca 0.59 -0.59 0.00 0.00 0.70 0.00 0.00 55.95 56.65 1whk s SER 40 Cb -0.04 -0.60 0.00 0.00 -1.71 0.00 0.00 66.02 63.67 1whk s SER 40 CO 0.38 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.18 1whk n GLY 41 N 5.05 0.43 3.15 9.45 0.00 -1.26 -5.05 105.19 116.96 1whk n GLY 41 Ca -0.09 -1.28 -0.32 0.00 0.00 0.00 0.00 46.02 44.33 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 -1.92 2.00 0.33 -0.61 1.01 -1.26 -4.11 121.20 116.65 1whk s ILE 42 Ca 0.00 -0.94 0.04 0.00 0.00 0.00 0.00 60.65 59.75 1whk s ILE 42 Cb 0.00 -1.78 -0.06 0.00 0.01 0.00 0.00 42.46 40.63 1whk s ILE 42 CO 0.00 0.54 0.06 0.26 0.00 0.00 0.00 174.94 175.80 1whk s TRP 43 N 0.88 1.98 -0.08 3.97 0.52 -1.22 -4.19 118.94 120.80 1whk s TRP 43 Ca -0.06 -0.95 -0.00 0.00 0.02 0.00 0.00 56.10 55.10 1whk s TRP 43 Cb -0.15 -1.30 0.02 0.00 -1.15 0.00 0.00 33.47 30.90 1whk s TRP 43 CO -0.03 0.02 -0.04 -0.51 0.02 0.00 0.00 176.95 176.41 1whk s LEU 44 N -3.50 0.97 -1.30 2.99 1.43 0.16 -3.11 118.68 116.32 1whk s LEU 44 Ca 0.36 -0.16 -0.17 0.00 -1.03 0.00 0.00 54.13 53.13 1whk s LEU 44 Cb 0.09 -0.57 0.02 0.00 0.03 0.00 0.00 46.19 45.75 1whk s LEU 44 CO 0.16 -0.13 1.98 0.61 0.23 0.00 0.00 176.35 179.19 1whk n GLY 45 N 4.78 3.18 3.75 -3.19 0.00 0.75 -2.93 105.19 111.53 1whk n GLY 45 Ca -0.13 -1.42 -0.32 0.00 0.00 0.00 0.00 46.02 44.14 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 3.72 3.19 -0.29 0.99 1.43 -1.21 -2.48 118.68 124.03 1whk s LEU 46 Ca 0.53 2.06 -0.03 0.00 -1.03 0.00 0.00 54.13 55.65 1whk s LEU 46 Cb 0.09 -4.55 0.10 0.00 0.03 0.00 0.00 46.19 41.85 1whk s LEU 46 CO 0.02 -2.10 0.13 -0.70 0.23 0.00 0.00 176.35 173.93 1whk s GLU 47 N -4.36 0.28 1.01 1.70 2.12 -0.79 -3.02 118.70 115.64 1whk s GLU 47 Ca 0.67 -0.63 -0.15 0.00 0.36 0.00 0.00 54.97 55.22 1whk s GLU 47 Cb -0.22 -1.30 0.20 0.00 0.26 0.00 0.00 34.13 33.07 1whk s GLU 47 CO 0.49 -1.02 1.17 -0.51 -0.54 0.00 0.00 175.26 174.85 1whk s LEU 48 N 2.01 1.77 -0.13 2.70 1.43 -1.23 -3.94 118.68 121.29 1whk s LEU 48 Ca 0.09 0.72 0.18 0.00 -1.03 0.00 0.00 54.13 54.09 1whk s LEU 48 Cb -0.16 -2.80 -0.26 0.00 0.03 0.00 0.00 46.19 43.00 1whk s LEU 48 CO -0.35 -3.08 0.26 -1.14 0.23 0.00 0.00 176.35 172.27 1whk n ARG 49 N -4.07 0.67 -3.33 1.70 0.63 -1.26 -4.77 116.66 106.23 1whk n ARG 49 Ca 0.10 -0.00 -0.21 0.00 -0.92 0.00 0.00 57.85 56.83 1whk n ARG 49 Cb 0.59 -1.57 0.01 0.00 0.45 0.00 0.00 32.46 31.95 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 -5.38 5.11 -1.20 6.15 0.01 -1.26 -5.04 113.70 112.09 1whk s SER 50 Ca -0.09 -0.81 -0.09 0.00 1.31 0.00 0.00 55.95 56.27 1whk s SER 50 Cb 0.08 -0.09 0.21 0.00 0.21 0.00 0.00 66.02 66.43 1whk s SER 50 CO 0.84 -1.01 1.59 0.00 0.41 0.00 0.00 173.24 175.07 1whk n ALA 51 N -1.90 4.80 -2.36 1.44 0.00 -1.26 -4.53 120.51 116.71 1whk n ALA 51 Ca 0.08 -4.45 0.00 0.00 0.00 0.00 0.00 53.44 49.07 1whk n ALA 51 Cb 0.62 -2.80 0.06 0.00 0.00 0.00 0.00 19.45 17.33 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 3.63 1.17 -0.66 0.00 4.76 -1.10 -4.90 118.16 121.06 1whk n LYS 52 Ca 0.34 -2.89 0.00 0.00 -2.87 0.00 0.00 58.31 52.89 1whk n LYS 52 Cb 0.38 -0.99 0.00 0.00 -1.84 0.00 0.00 35.03 32.57 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 -0.24 4.25 1.68 0.72 0.00 -1.05 -4.93 105.19 105.62 1whk n GLY 53 Ca 0.13 -2.09 0.03 0.00 0.00 0.00 0.00 46.02 44.09 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 -0.20 0.47 -4.06 1.61 5.02 -1.17 -4.65 118.16 115.18 1whk n LYS 54 Ca 0.00 -2.39 -0.10 0.00 -2.02 0.00 0.00 58.31 53.80 1whk n LYS 54 Cb 0.00 -0.43 -0.07 0.00 -0.02 0.00 0.00 35.03 34.52 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 -2.43 -0.00 -0.24 4.39 0.01 -1.22 -4.98 114.94 110.48 1whk s ASN 55 Ca 0.33 -1.06 0.10 0.00 -0.71 0.00 0.00 52.86 51.52 1whk s ASN 55 Cb 0.38 0.50 0.43 0.00 0.41 0.00 0.00 41.25 42.98 1whk s ASN 55 CO -0.14 -1.02 1.24 -0.90 -1.51 0.00 0.00 177.10 174.77 1whk n ASP 56 N -0.33 2.50 0.00 -1.22 5.68 -1.26 0.88 116.55 122.80 1whk n ASP 56 Ca -0.01 -3.87 0.00 0.00 -0.50 0.00 0.00 54.79 50.41 1whk n ASP 56 Cb 0.63 -0.50 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 1whk n ASP 56 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1whk n GLY 57 N -1.03 2.98 3.09 6.12 0.00 -1.26 -4.67 105.19 110.43 1whk n GLY 57 Ca 0.26 -0.28 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.31 0.56 -0.10 4.61 0.00 -1.26 -2.02 121.76 121.23 1whk s ALA 58 Ca 0.00 -1.16 -0.02 0.00 0.00 0.00 0.00 51.96 50.78 1whk s ALA 58 Cb 0.00 0.23 0.04 0.00 0.00 0.00 0.00 23.12 23.39 1whk s ALA 58 CO 0.00 -0.31 0.02 0.08 0.00 0.00 0.00 175.76 175.55 1whk s VAL 59 N -3.54 0.31 0.00 0.00 1.01 -1.16 -4.99 120.40 112.03 1whk s VAL 59 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1whk s VAL 59 Cb 0.05 -0.60 0.00 0.00 0.00 0.00 0.00 36.38 35.84 1whk s VAL 59 CO -0.08 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.74 1whk n GLY 60 N 5.16 0.37 1.65 4.51 0.00 -1.26 -3.62 105.19 111.99 1whk n GLY 60 Ca -0.07 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 44.99 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 5.61 3.04 -4.05 1.61 9.92 -1.26 -4.97 116.55 126.46 1whk n ASP 61 Ca 0.00 -3.72 -0.09 0.00 -0.53 0.00 0.00 54.79 50.46 1whk n ASP 61 Cb 0.00 -0.73 -0.11 0.00 -0.64 0.00 0.00 41.12 39.65 1whk n ASP 61 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1whk s LYS 62 N -3.28 0.49 -0.06 -1.24 1.02 -1.24 -5.16 119.74 110.27 1whk s LYS 62 Ca 0.50 -0.93 0.03 0.00 0.02 0.00 0.00 55.97 55.59 1whk s LYS 62 Cb 0.44 0.10 -0.03 0.00 -0.52 0.00 0.00 37.83 37.82 1whk s LYS 62 CO 0.04 -0.07 -0.13 1.03 -0.92 0.00 0.00 175.35 175.31 1whk s ARG 63 N -2.67 2.63 0.00 1.68 3.00 -1.26 -3.00 118.95 119.33 1whk s ARG 63 Ca -0.04 -0.67 0.00 0.00 0.00 0.00 0.00 55.73 55.02 1whk s ARG 63 Cb -0.01 -2.44 0.00 0.00 0.00 0.00 0.00 34.95 32.49 1whk s ARG 63 CO -0.05 0.59 0.00 0.66 0.00 0.00 0.00 175.30 176.50 1whk n TYR 64 N 2.41 0.00 -3.92 -0.53 4.02 -1.24 -5.03 117.16 112.87 1whk n TYR 64 Ca -0.17 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.61 1whk n TYR 64 Cb 0.52 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.84 1whk n TYR 64 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 176.86 175.26 1whk s PHE 65 N -1.99 0.39 -0.20 -0.72 -0.12 -0.86 -4.07 117.98 110.41 1whk s PHE 65 Ca 0.00 -0.87 -0.01 0.00 -0.05 0.00 0.00 56.93 56.00 1whk s PHE 65 Cb 0.00 0.47 0.05 0.00 -0.63 0.00 0.00 43.02 42.91 1whk s PHE 65 CO 0.00 -1.33 -0.03 0.99 -0.05 0.00 0.00 175.22 174.80 1whk s THR 66 N -2.95 1.14 0.23 -4.49 2.01 -1.26 -4.20 115.64 106.13 1whk s THR 66 Ca 0.20 -0.85 -0.01 0.00 0.31 0.00 0.00 61.69 61.34 1whk s THR 66 Cb -0.03 -1.43 0.01 0.00 0.01 0.00 0.00 72.50 71.05 1whk s THR 66 CO 0.13 -0.04 0.33 0.00 -0.69 0.00 0.00 174.62 174.35 1whk s LYS 68 N -2.53 2.36 -0.07 0.00 1.02 -1.26 -4.55 119.74 114.71 1whk s LYS 68 Ca 0.19 0.61 -0.36 0.00 0.02 0.00 0.00 55.97 56.44 1whk s LYS 68 Cb -0.01 -1.95 -0.13 0.00 -0.52 0.00 0.00 37.83 35.22 1whk s LYS 68 CO 0.14 -1.42 1.75 -2.30 -0.92 0.00 0.00 175.35 172.60 1whk n PRO 69 N -3.29 1.84 -3.18 -1.68 -0.02 -1.26 -2.72 135.00 124.69 1whk n PRO 69 Ca 0.07 0.67 -0.08 0.00 -2.02 0.00 0.00 63.50 62.14 1whk n PRO 69 Cb 0.56 -2.45 0.03 0.00 -0.02 0.00 0.00 33.50 31.63 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 5.41 -7.16 0.03 2.55 5.03 0.25 -4.89 115.26 116.49 1whk n ASN 70 Ca 0.22 -0.41 0.00 0.00 0.87 0.00 0.00 54.58 55.26 1whk n ASN 70 Cb 0.24 -5.16 0.00 0.00 -1.02 0.00 0.00 39.78 33.85 1whk n ASN 70 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1whk n TYR 71 N -2.53 -0.38 -2.40 3.10 4.02 -1.10 -2.53 117.16 115.34 1whk n TYR 71 Ca -0.04 0.07 -0.27 0.00 -0.01 0.00 0.00 57.90 57.65 1whk n TYR 71 Cb 0.56 0.21 0.03 0.00 -0.02 0.00 0.00 39.34 40.12 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 -4.77 1.61 -0.12 2.72 0.00 -1.26 -3.50 107.32 102.00 1whk s GLY 72 Ca 0.00 -0.71 -0.05 0.00 0.00 0.00 0.00 44.72 43.96 1whk s GLY 72 CO 0.00 -0.43 0.26 -1.34 0.00 0.00 0.00 173.10 171.59 1whk s VAL 73 N -2.99 -0.30 -0.36 1.40 -7.23 -1.17 -3.06 120.40 106.71 1whk s VAL 73 Ca 0.54 0.24 -0.25 0.00 -1.81 0.00 0.00 61.98 60.70 1whk s VAL 73 Cb -0.11 -0.42 0.01 0.00 0.56 0.00 0.00 36.38 36.42 1whk s VAL 73 CO 0.45 0.10 0.89 -0.76 -0.31 0.00 0.00 175.10 175.47 1whk s LEU 74 N 2.06 4.03 0.27 1.32 1.43 -1.26 -3.31 118.68 123.22 1whk s LEU 74 Ca -0.02 0.57 0.03 0.00 -1.03 0.00 0.00 54.13 53.68 1whk s LEU 74 Cb -0.11 -3.20 -0.06 0.00 0.03 0.00 0.00 46.19 42.85 1whk s LEU 74 CO -0.08 -0.80 0.05 0.68 0.23 0.00 0.00 176.35 176.43 1whk s VAL 75 N 3.33 0.92 0.16 -1.59 -7.23 -1.15 -4.88 120.40 109.97 1whk s VAL 75 Ca 0.36 -2.01 0.01 0.00 -1.81 0.00 0.00 61.98 58.53 1whk s VAL 75 Cb -0.13 -2.60 -0.04 0.00 0.56 0.00 0.00 36.38 34.18 1whk s VAL 75 CO 0.17 -0.10 0.32 -0.13 -0.31 0.00 0.00 175.10 175.04 1whk s ARG 76 N -3.93 3.47 0.19 4.82 0.52 -1.26 0.39 118.95 123.15 1whk s ARG 76 Ca 0.34 -0.48 -0.19 0.00 -0.52 0.00 0.00 55.73 54.88 1whk s ARG 76 Cb 0.07 -2.93 0.15 0.00 0.52 0.00 0.00 34.95 32.77 1whk s ARG 76 CO 0.13 0.49 1.59 -1.35 0.02 0.00 0.00 175.30 176.17 1whk h PRO 77 N 2.20 -0.13 -0.14 3.54 0.11 -1.89 1.52 132.00 137.22 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 0.69 -0.08 0.22 1.03 -0.21 0.00 0.00 178.00 179.65 1whk h SER 78 N -0.13 0.00 0.52 -2.05 0.87 -1.95 0.95 113.55 111.77 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 -0.44 0.54 -0.53 0.00 0.00 176.83 175.70 1whk n ARG 79 N -3.49 0.06 -4.57 2.24 5.12 0.50 -4.92 116.66 111.60 1whk n ARG 79 Ca 0.01 -0.03 -0.27 0.00 -1.93 0.00 0.00 57.85 55.63 1whk n ARG 79 Cb 0.32 -1.50 -0.09 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 -2.96 1.18 0.19 1.55 -7.23 0.33 -4.26 120.40 109.20 1whk s VAL 80 Ca 0.12 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.14 1whk s VAL 80 Cb 0.18 -2.57 0.02 0.00 0.56 0.00 0.00 36.38 34.57 1whk s VAL 80 CO 0.67 0.00 0.45 0.42 -0.31 0.00 0.00 175.10 176.34 1whk s THR 81 N -3.06 0.04 -0.09 5.32 -4.23 -0.72 -4.84 115.64 108.06 1whk s THR 81 Ca 0.26 -0.98 -0.32 0.00 -1.18 0.00 0.00 61.69 59.46 1whk s THR 81 Cb 0.06 -1.68 0.12 0.00 1.34 0.00 0.00 72.50 72.34 1whk s THR 81 CO 0.13 -0.17 1.12 -0.72 -0.54 0.00 0.00 174.62 174.43 1whk s TYR 82 N -3.91 -0.17 0.58 3.99 1.13 -1.26 0.21 117.35 117.92 1whk s TYR 82 Ca 0.12 0.07 -0.18 0.00 -1.41 0.00 0.00 57.07 55.67 1whk s TYR 82 Cb 0.00 0.54 -0.04 0.00 -1.10 0.00 0.00 41.96 41.36 1whk s TYR 82 CO -0.02 -0.35 1.14 1.03 -2.51 0.00 0.00 175.55 174.84 1whk s ARG 83 N -2.68 3.18 0.00 -3.49 0.52 -1.26 -5.00 118.95 110.22 1whk s ARG 83 Ca 0.09 1.59 0.00 0.00 -0.52 0.00 0.00 55.73 56.89 1whk s ARG 83 Cb -0.00 -1.98 0.00 0.00 0.52 0.00 0.00 34.95 33.49 1whk s ARG 83 CO -0.05 -0.99 0.00 0.41 0.02 0.00 0.00 175.30 174.69 1whk n GLY 84 N 0.06 3.41 3.60 -3.53 0.00 -1.26 -5.09 105.19 102.38 1whk n GLY 84 Ca 0.12 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 0.14 3.49 -0.27 -0.61 1.10 -1.26 -4.93 121.20 118.85 1whk s ILE 85 Ca 0.00 0.49 -0.00 0.00 -0.51 0.00 0.00 60.65 60.63 1whk s ILE 85 Cb 0.00 -3.66 0.16 0.00 0.15 0.00 0.00 42.46 39.11 1whk s ILE 85 CO 0.00 -0.42 0.43 -0.94 -2.11 0.00 0.00 174.94 171.90 1whk s SER 86 N 6.01 -0.03 0.13 4.50 1.04 -1.26 -5.16 113.70 118.93 1whk s SER 86 Ca 0.79 0.07 -0.24 0.00 0.48 0.00 0.00 55.95 57.05 1whk s SER 86 Cb -0.22 1.30 0.08 0.00 0.10 0.00 0.00 66.02 67.28 1whk s SER 86 CO 0.34 -0.32 0.67 -0.83 0.98 0.00 0.00 173.24 174.08 1whk s GLY 87 N 2.60 -0.57 0.65 7.32 0.00 -1.26 -5.17 107.32 110.89 1whk s GLY 87 Ca 0.12 0.58 -0.15 0.00 0.00 0.00 0.00 44.72 45.27 1whk s GLY 87 CO -0.23 0.19 1.12 2.56 0.00 0.00 0.00 173.10 176.74 1whk s PRO 88 N -3.62 2.84 -0.85 2.90 0.04 -1.26 -4.86 135.00 130.20 1whk s PRO 88 Ca 0.02 1.43 -0.26 0.00 0.04 0.00 0.00 61.00 62.23 1whk s PRO 88 Cb -0.01 -1.95 -0.16 0.00 0.04 0.00 0.00 34.50 32.42 1whk s PRO 88 CO -0.12 -1.22 2.36 -1.54 0.04 0.00 0.00 177.00 176.52 1whk s SER 89 N -2.47 3.74 0.41 6.66 1.04 -1.26 -4.89 113.70 116.93 1whk s SER 89 Ca 0.68 -0.15 0.07 0.00 0.48 0.00 0.00 55.95 57.03 1whk s SER 89 Cb -0.21 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.31 1whk s SER 89 CO 0.40 -4.12 0.27 -0.44 0.98 0.00 0.00 173.24 170.33 1whk s SER 90 N 10.45 4.71 0.00 7.02 0.01 -1.26 -5.28 113.70 129.34 1whk s SER 90 Ca 0.91 -0.93 0.00 0.00 1.31 0.00 0.00 55.95 57.24 1whk s SER 90 Cb -0.11 -0.52 0.00 0.00 0.21 0.00 0.00 66.02 65.59 1whk s SER 90 CO 0.10 -0.59 0.00 0.61 0.41 0.00 0.00 173.24 173.77