#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 5.72 0.29 1.61 0.15 -1.26 -5.12 113.70 115.09 1whk s SER 2 Ca 0.00 -0.21 -0.02 0.00 0.70 0.00 0.00 55.95 56.42 1whk s SER 2 Cb 0.00 -1.42 -0.04 0.00 -1.71 0.00 0.00 66.02 62.85 1whk s SER 2 CO 0.00 -0.14 0.51 -0.55 1.20 0.00 0.00 173.24 174.26 1whk s SER 3 N -3.94 6.37 0.00 5.45 0.15 -1.26 -4.90 113.70 115.58 1whk s SER 3 Ca 0.36 0.54 0.00 0.00 0.70 0.00 0.00 55.95 57.55 1whk s SER 3 Cb -0.08 -2.07 0.00 0.00 -1.71 0.00 0.00 66.02 62.16 1whk s SER 3 CO 0.27 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.12 1whk n GLY 4 N -1.21 0.74 0.11 9.45 0.00 -1.26 -5.03 105.19 107.98 1whk n GLY 4 Ca -0.04 -0.67 -0.03 0.00 0.00 0.00 0.00 46.02 45.28 1whk n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1whk h SER 5 N 0.00 0.00 -4.61 1.61 0.87 -2.01 -3.49 113.55 105.92 1whk h SER 5 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1whk h SER 5 Cb 0.00 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 61.90 1whk h SER 5 CO 0.00 0.76 -1.14 -0.24 -0.53 0.00 0.00 176.83 175.69 1whk n SER 6 N -3.53 -4.47 0.00 6.23 2.88 -1.26 -4.96 113.62 108.51 1whk n SER 6 Ca -0.00 1.40 0.00 0.00 -1.33 0.00 0.00 58.87 58.93 1whk n SER 6 Cb 0.76 -4.70 0.00 0.00 -0.75 0.00 0.00 64.21 59.53 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 1.54 -2.23 2.11 0.46 0.00 -1.26 -5.11 105.19 100.70 1whk n GLY 7 Ca -0.19 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.03 -5.13 0.00 1.61 1.02 -1.26 -5.07 120.64 111.78 1whk n GLU 8 Ca 0.00 3.70 0.00 0.00 -0.02 0.00 0.00 57.16 60.84 1whk n GLU 8 Cb 0.00 -4.23 0.00 0.00 -0.02 0.00 0.00 31.44 27.19 1whk n GLU 8 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1whk n GLY 9 N 1.77 0.67 3.40 0.62 0.00 -1.26 -5.14 105.19 105.25 1whk n GLY 9 Ca 0.00 0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.00 0.00 2.61 -4.23 -1.26 -5.06 115.64 107.70 1whk s THR 10 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 1whk s THR 10 Cb 0.00 -0.70 0.00 0.00 1.34 0.00 0.00 72.50 73.14 1whk s THR 10 CO 0.00 0.00 0.00 0.55 -0.54 0.00 0.00 174.62 174.63 1whk n VAL 11 N 2.89 0.00 -1.72 2.29 3.14 -1.26 -5.10 118.33 118.57 1whk n VAL 11 Ca -0.14 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 60.94 1whk n VAL 11 Cb 0.56 -0.66 0.18 0.00 -1.06 0.00 0.00 33.84 32.87 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 -1.78 0.42 0.23 1.45 2.20 -1.26 -4.86 119.74 116.13 1whk s LYS 12 Ca 0.00 -0.23 0.00 0.00 -0.36 0.00 0.00 55.97 55.38 1whk s LYS 12 Cb 0.00 -1.80 -0.04 0.00 -1.51 0.00 0.00 37.83 34.47 1whk s LYS 12 CO 0.00 -2.59 0.12 -0.51 -0.36 0.00 0.00 175.35 172.01 1whk s LEU 13 N -6.09 1.34 0.25 5.43 1.02 -1.26 -5.10 118.68 114.26 1whk s LEU 13 Ca 0.71 -1.40 0.07 0.00 0.02 0.00 0.00 54.13 53.53 1whk s LEU 13 Cb -0.07 0.26 -0.04 0.00 0.02 0.00 0.00 46.19 46.37 1whk s LEU 13 CO 0.53 -0.81 0.18 -1.00 0.02 0.00 0.00 176.35 175.27 1whk s HIS 14 N -3.99 3.07 0.20 0.29 3.76 -1.26 -5.03 115.29 112.33 1whk s HIS 14 Ca 0.39 -0.12 -0.30 0.00 -0.15 0.00 0.00 55.06 54.88 1whk s HIS 14 Cb 0.07 -1.39 -0.08 0.00 1.11 0.00 0.00 32.58 32.29 1whk s HIS 14 CO 0.13 0.53 1.25 -1.21 -0.85 0.00 0.00 174.74 174.60 1whk s GLU 15 N -3.79 4.44 -0.72 1.40 2.02 -1.26 -3.21 118.70 117.58 1whk s GLU 15 Ca 0.33 1.97 -0.03 0.00 0.02 0.00 0.00 54.97 57.26 1whk s GLU 15 Cb -0.08 -3.21 0.00 0.00 0.10 0.00 0.00 34.13 30.94 1whk s GLU 15 CO 0.24 -0.17 0.41 0.41 0.02 0.00 0.00 175.26 176.18 1whk n GLY 16 N 2.21 0.15 3.94 -1.39 0.00 0.99 -5.02 105.19 106.07 1whk n GLY 16 Ca 0.05 -0.29 -0.19 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.98 5.45 -0.20 1.61 0.01 -1.20 -4.82 113.70 111.57 1whk s SER 17 Ca 0.21 -0.51 -0.06 0.00 1.31 0.00 0.00 55.95 56.90 1whk s SER 17 Cb -0.09 -0.74 -0.03 0.00 0.21 0.00 0.00 66.02 65.37 1whk s SER 17 CO 0.25 -0.63 0.03 -1.10 0.41 0.00 0.00 173.24 172.20 1whk s GLN 18 N -4.21 3.74 0.01 12.44 -1.52 -1.26 -1.03 119.66 127.83 1whk s GLN 18 Ca 0.50 -0.46 0.05 0.00 -1.95 0.00 0.00 55.36 53.50 1whk s GLN 18 Cb -0.07 -3.16 -0.02 0.00 -0.22 0.00 0.00 33.01 29.55 1whk s GLN 18 CO 0.30 0.08 -0.15 0.14 -0.25 0.00 0.00 175.29 175.41 1whk s VAL 19 N 0.87 1.17 -0.01 1.09 -7.23 -1.05 -4.68 120.40 110.55 1whk s VAL 19 Ca 0.02 -0.78 -0.01 0.00 -1.81 0.00 0.00 61.98 59.40 1whk s VAL 19 Cb -0.14 -1.00 -0.04 0.00 0.56 0.00 0.00 36.38 35.76 1whk s VAL 19 CO 0.02 0.21 0.09 -0.22 -0.31 0.00 0.00 175.10 174.89 1whk s LEU 20 N -0.66 3.93 0.11 1.32 2.96 0.23 -0.75 118.68 125.82 1whk s LEU 20 Ca 0.04 0.17 -0.23 0.00 -0.22 0.00 0.00 54.13 53.89 1whk s LEU 20 Cb -0.07 -2.28 -0.07 0.00 0.50 0.00 0.00 46.19 44.27 1whk s LEU 20 CO 0.00 0.28 0.70 -0.76 -1.32 0.00 0.00 176.35 175.25 1whk s LEU 21 N -1.72 4.55 -0.45 -0.68 1.43 -0.94 -1.81 118.68 119.06 1whk s LEU 21 Ca 0.23 1.48 0.03 0.00 -1.03 0.00 0.00 54.13 54.83 1whk s LEU 21 Cb -0.12 -3.14 0.60 0.00 0.03 0.00 0.00 46.19 43.56 1whk s LEU 21 CO 0.14 0.20 1.89 1.07 0.23 0.00 0.00 176.35 179.88 1whk n THR 22 N 1.83 3.14 0.00 5.49 5.66 -1.24 -2.69 114.28 126.47 1whk n THR 22 Ca -0.07 -1.94 0.00 0.00 -3.05 0.00 0.00 64.05 58.99 1whk n THR 22 Cb 0.50 -0.60 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 -1.00 0.62 -0.02 1.09 7.64 -1.26 -4.89 113.62 115.79 1whk n SER 23 Ca 0.57 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.45 1whk n SER 23 Cb 1.47 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.67 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 -2.74 0.84 -2.95 6.43 7.64 -1.26 -5.07 113.62 116.50 1whk n SER 24 Ca 0.00 -1.48 -0.10 0.00 1.01 0.00 0.00 58.87 58.30 1whk n SER 24 Cb 0.37 -0.02 0.01 0.00 -1.01 0.00 0.00 64.21 63.56 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 -0.23 -7.45 -3.67 6.43 4.13 -1.09 -5.03 115.26 108.34 1whk n ASN 25 Ca 0.00 0.68 -0.14 0.00 1.68 0.00 0.00 54.58 56.81 1whk n ASN 25 Cb 0.42 -4.38 -0.13 0.00 -1.54 0.00 0.00 39.78 34.14 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 -2.13 0.14 0.55 3.52 0.41 -1.26 -4.90 118.70 115.04 1whk s GLU 26 Ca 0.17 0.72 -0.19 0.00 -0.41 0.00 0.00 54.97 55.26 1whk s GLU 26 Cb -0.04 -0.06 -0.05 0.00 -1.78 0.00 0.00 34.13 32.20 1whk s GLU 26 CO 0.71 -0.28 1.11 -1.64 -0.49 0.00 0.00 175.26 174.68 1whk s MET 27 N 2.31 3.36 0.36 1.61 -1.94 -1.26 -2.21 119.30 121.53 1whk s MET 27 Ca 0.00 1.54 -0.00 0.00 -1.71 0.00 0.00 55.69 55.52 1whk s MET 27 Cb -0.12 -2.01 0.00 0.00 2.01 0.00 0.00 34.83 34.71 1whk s MET 27 CO -0.08 -0.83 0.48 0.00 -0.01 0.00 0.00 175.02 174.57 1whk n ALA 28 N -1.40 -0.20 -3.64 3.03 0.00 0.07 -4.84 120.51 113.53 1whk n ALA 28 Ca 0.11 -1.72 -0.27 0.00 0.00 0.00 0.00 53.44 51.56 1whk n ALA 28 Cb 0.51 1.39 -0.17 0.00 0.00 0.00 0.00 19.45 21.19 1whk n ALA 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1whk s THR 29 N -2.91 1.31 -0.09 0.00 2.01 -1.24 -2.53 115.64 112.20 1whk s THR 29 Ca 0.32 -0.54 -0.30 0.00 0.31 0.00 0.00 61.69 61.48 1whk s THR 29 Cb -0.01 -1.22 -0.02 0.00 0.01 0.00 0.00 72.50 71.26 1whk s THR 29 CO 0.23 0.40 1.14 -0.69 -0.69 0.00 0.00 174.62 175.01 1whk s VAL 30 N 1.01 4.45 -0.09 3.82 1.01 -0.20 -1.96 120.40 128.44 1whk s VAL 30 Ca -0.07 1.75 0.05 0.00 0.00 0.00 0.00 61.98 63.71 1whk s VAL 30 Cb -0.15 -4.12 -0.09 0.00 0.00 0.00 0.00 36.38 32.02 1whk s VAL 30 CO -0.01 -0.02 -0.02 0.54 0.00 0.00 0.00 175.10 175.59 1whk n ARG 31 N 5.33 1.70 -3.83 2.72 5.12 -0.14 -0.01 116.66 127.55 1whk n ARG 31 Ca 0.11 0.02 -0.12 0.00 -1.93 0.00 0.00 57.85 55.93 1whk n ARG 31 Cb 0.47 -1.22 -0.12 0.00 -1.16 0.00 0.00 32.46 30.42 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 -2.21 -0.12 -0.17 -1.55 5.04 -1.19 -4.80 117.35 112.35 1whk s TYR 32 Ca -0.08 0.28 -0.02 0.00 -2.44 0.00 0.00 57.07 54.81 1whk s TYR 32 Cb 0.03 0.03 0.05 0.00 0.35 0.00 0.00 41.96 42.42 1whk s TYR 32 CO 0.31 -0.09 0.01 0.08 -1.34 0.00 0.00 175.55 174.52 1whk s VAL 33 N -0.11 0.66 -3.84 3.14 1.01 -1.26 0.11 120.40 120.12 1whk s VAL 33 Ca -0.02 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.48 1whk s VAL 33 Cb -0.02 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.33 1whk s VAL 33 CO 0.00 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.66 1whk n GLY 34 N 5.01 -1.66 3.62 4.51 0.00 -1.08 -5.04 105.19 110.55 1whk n GLY 34 Ca -0.09 -1.16 -0.30 0.00 0.00 0.00 0.00 46.02 44.47 1whk n GLY 34 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1whk s PRO 35 N -1.66 -0.80 0.41 1.61 0.04 -1.26 -1.74 135.00 131.61 1whk s PRO 35 Ca 0.00 0.06 0.03 0.00 0.04 0.00 0.00 61.00 61.13 1whk s PRO 35 Cb 0.00 -1.63 -0.03 0.00 0.04 0.00 0.00 34.50 32.87 1whk s PRO 35 CO 0.00 -3.45 0.09 0.95 0.04 0.00 0.00 177.00 174.63 1whk s THR 36 N -3.02 0.82 -0.18 1.26 -4.23 -1.25 -4.80 115.64 104.25 1whk s THR 36 Ca 0.70 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 59.34 1whk s THR 36 Cb -0.12 -2.41 -0.20 0.00 1.34 0.00 0.00 72.50 71.11 1whk s THR 36 CO 0.56 0.00 0.03 0.47 -0.54 0.00 0.00 174.62 175.14 1whk n ASP 37 N -1.18 0.94 0.08 3.99 8.00 -1.26 -4.46 116.55 122.66 1whk n ASP 37 Ca -0.07 -0.02 -0.08 0.00 0.71 0.00 0.00 54.79 55.33 1whk n ASP 37 Cb 0.66 0.77 -0.06 0.00 -0.02 0.00 0.00 41.12 42.46 1whk n ASP 37 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 1whk h PHE 38 N 0.00 0.13 -1.52 1.24 -5.15 -1.98 -3.47 116.94 106.19 1whk h PHE 38 Ca -0.47 -0.08 -0.63 0.00 -0.20 0.00 0.00 57.97 56.59 1whk h PHE 38 Cb 2.03 -0.01 -0.13 0.00 0.22 0.00 0.00 35.95 38.06 1whk h PHE 38 CO 0.00 0.99 -0.50 0.00 -2.00 0.00 0.00 178.31 176.80 1whk s ALA 39 N -2.91 3.57 -0.50 12.09 0.00 -1.26 -5.12 121.76 127.63 1whk s ALA 39 Ca -0.01 -0.69 0.03 0.00 0.00 0.00 0.00 51.96 51.29 1whk s ALA 39 Cb 0.10 0.42 0.14 0.00 0.00 0.00 0.00 23.12 23.78 1whk s ALA 39 CO 0.82 -0.19 0.28 -1.12 0.00 0.00 0.00 175.76 175.55 1whk s SER 40 N -3.75 3.92 0.00 0.00 0.01 -1.26 -4.27 113.70 108.34 1whk s SER 40 Ca 0.13 -2.91 0.00 0.00 1.31 0.00 0.00 55.95 54.48 1whk s SER 40 Cb 0.01 -1.29 0.00 0.00 0.21 0.00 0.00 66.02 64.96 1whk s SER 40 CO 0.09 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.12 1whk n GLY 41 N 3.19 -0.43 3.59 3.44 0.00 -1.26 -5.06 105.19 108.66 1whk n GLY 41 Ca 0.09 -1.03 -0.43 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.00 4.46 0.54 -0.61 1.09 -1.26 -3.76 121.20 119.66 1whk s ILE 42 Ca 0.00 1.07 0.03 0.00 -1.10 0.00 0.00 60.65 60.64 1whk s ILE 42 Cb 0.00 -4.43 0.02 0.00 -1.06 0.00 0.00 42.46 36.99 1whk s ILE 42 CO 0.00 -0.74 0.20 0.26 -0.10 0.00 0.00 174.94 174.55 1whk s TRP 43 N 3.80 1.64 -0.10 3.97 0.52 -0.71 -4.35 118.94 123.70 1whk s TRP 43 Ca 0.40 -0.94 -0.04 0.00 0.02 0.00 0.00 56.10 55.54 1whk s TRP 43 Cb -0.10 -1.73 0.05 0.00 -1.15 0.00 0.00 33.47 30.53 1whk s TRP 43 CO 0.24 -0.15 0.21 -0.51 0.02 0.00 0.00 176.95 176.76 1whk s LEU 44 N -4.10 0.19 -1.29 2.99 1.43 -0.21 -2.64 118.68 115.05 1whk s LEU 44 Ca 0.16 0.45 -0.18 0.00 -1.03 0.00 0.00 54.13 53.53 1whk s LEU 44 Cb -0.01 0.54 0.06 0.00 0.03 0.00 0.00 46.19 46.82 1whk s LEU 44 CO 0.10 -0.20 1.74 -0.83 0.23 0.00 0.00 176.35 177.39 1whk s GLY 45 N 1.76 1.59 0.77 -3.19 0.00 0.12 -3.50 107.32 104.87 1whk s GLY 45 Ca -0.04 -2.88 -0.12 0.00 0.00 0.00 0.00 44.72 41.68 1whk s GLY 45 CO -0.07 2.75 1.14 1.08 0.00 0.00 0.00 173.10 178.00 1whk s LEU 46 N 4.45 2.65 -0.26 0.66 1.43 -0.97 -0.97 118.68 125.68 1whk s LEU 46 Ca 0.54 0.94 -0.02 0.00 -1.03 0.00 0.00 54.13 54.57 1whk s LEU 46 Cb 0.04 -3.55 0.14 0.00 0.03 0.00 0.00 46.19 42.84 1whk s LEU 46 CO 0.08 -1.70 0.39 -0.70 0.23 0.00 0.00 176.35 174.65 1whk s GLU 47 N -5.47 0.36 0.85 1.70 -6.30 -0.83 -3.24 118.70 105.77 1whk s GLU 47 Ca 0.60 0.44 -0.12 0.00 -2.50 0.00 0.00 54.97 53.40 1whk s GLU 47 Cb -0.11 -0.43 0.10 0.00 0.00 0.00 0.00 34.13 33.68 1whk s GLU 47 CO 0.50 -0.73 1.10 -0.51 0.02 0.00 0.00 175.26 175.64 1whk s LEU 48 N 2.55 2.39 -0.49 2.70 1.43 -1.17 -3.60 118.68 122.49 1whk s LEU 48 Ca 0.12 1.31 0.03 0.00 -1.03 0.00 0.00 54.13 54.56 1whk s LEU 48 Cb -0.15 -3.81 0.61 0.00 0.03 0.00 0.00 46.19 42.87 1whk s LEU 48 CO -0.19 -2.28 1.92 -1.14 0.23 0.00 0.00 176.35 174.89 1whk n ARG 49 N -3.63 2.34 -3.74 1.70 0.63 -1.26 -4.70 116.66 107.99 1whk n ARG 49 Ca 0.07 -3.09 0.03 0.00 -0.92 0.00 0.00 57.85 53.94 1whk n ARG 49 Cb 0.56 -2.19 0.00 0.00 0.45 0.00 0.00 32.46 31.29 1whk n ARG 49 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1whk s SER 50 N -1.48 -0.02 -0.76 6.15 0.15 -1.26 -5.09 113.70 111.38 1whk s SER 50 Ca 0.58 -0.12 -0.26 0.00 0.70 0.00 0.00 55.95 56.85 1whk s SER 50 Cb 0.48 0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.91 1whk s SER 50 CO 0.08 -0.22 1.61 0.00 1.20 0.00 0.00 173.24 175.91 1whk s ALA 51 N -2.19 2.37 -0.01 5.45 0.00 -1.26 -4.50 121.76 121.63 1whk s ALA 51 Ca 0.20 -1.27 0.04 0.00 0.00 0.00 0.00 51.96 50.94 1whk s ALA 51 Cb 0.04 -4.36 0.08 0.00 0.00 0.00 0.00 23.12 18.87 1whk s ALA 51 CO -0.03 -3.79 1.04 1.63 0.00 0.00 0.00 175.76 174.61 1whk n LYS 52 N 9.16 0.05 -4.55 0.00 4.76 -1.01 -5.00 118.16 121.57 1whk n LYS 52 Ca 0.19 -1.16 -0.27 0.00 -2.87 0.00 0.00 58.31 54.20 1whk n LYS 52 Cb 0.50 0.42 -0.08 0.00 -1.84 0.00 0.00 35.03 34.03 1whk n LYS 52 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1whk s GLY 53 N -1.16 2.78 -0.11 0.72 0.00 -1.12 -4.91 107.32 103.51 1whk s GLY 53 Ca 0.05 -1.01 0.04 0.00 0.00 0.00 0.00 44.72 43.80 1whk s GLY 53 CO -0.03 -1.87 -0.05 0.28 0.00 0.00 0.00 173.10 171.43 1whk n LYS 54 N -1.00 1.15 -1.75 2.90 5.02 -1.26 -4.48 118.16 118.74 1whk n LYS 54 Ca -0.08 0.04 -0.28 0.00 -2.02 0.00 0.00 58.31 55.97 1whk n LYS 54 Cb 0.65 -1.24 0.20 0.00 -0.02 0.00 0.00 35.03 34.61 1whk n LYS 54 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1whk n ASN 55 N -2.66 -0.10 -1.19 4.39 3.02 -1.25 -4.58 115.26 112.90 1whk n ASN 55 Ca -0.19 -1.43 0.05 0.00 -0.03 0.00 0.00 54.58 52.97 1whk n ASN 55 Cb 0.76 -0.97 0.08 0.00 -0.61 0.00 0.00 39.78 39.04 1whk n ASN 55 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1whk n ASP 56 N -3.91 1.24 0.00 6.41 5.68 -1.26 -1.16 116.55 123.55 1whk n ASP 56 Ca 0.16 -2.65 0.00 0.00 -0.50 0.00 0.00 54.79 51.80 1whk n ASP 56 Cb 0.55 -0.38 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 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 -0.05 2.71 3.43 6.12 0.00 -1.26 -4.56 105.19 111.57 1whk n GLY 57 Ca 0.10 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.23 2.79 -0.37 4.61 0.00 -1.26 -2.79 121.76 123.52 1whk s ALA 58 Ca 0.00 -0.86 -0.04 0.00 0.00 0.00 0.00 51.96 51.06 1whk s ALA 58 Cb 0.00 -1.35 0.08 0.00 0.00 0.00 0.00 23.12 21.85 1whk s ALA 58 CO 0.00 0.26 0.13 0.08 0.00 0.00 0.00 175.76 176.23 1whk s VAL 59 N 0.28 3.42 0.00 0.00 1.01 0.99 -4.92 120.40 121.18 1whk s VAL 59 Ca -0.07 -1.60 0.00 0.00 0.00 0.00 0.00 61.98 60.31 1whk s VAL 59 Cb -0.15 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.11 1whk s VAL 59 CO 0.04 -0.40 0.00 0.61 0.00 0.00 0.00 175.10 175.35 1whk n GLY 60 N 4.69 2.06 1.17 4.51 0.00 -1.26 -2.24 105.19 114.12 1whk n GLY 60 Ca -0.08 -0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.94 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 10.39 3.49 -3.63 1.61 9.92 -1.26 -4.96 116.55 132.11 1whk n ASP 61 Ca 0.00 -3.34 -0.13 0.00 -0.53 0.00 0.00 54.79 50.80 1whk n ASP 61 Cb 0.00 -0.61 -0.07 0.00 -0.64 0.00 0.00 41.12 39.80 1whk n ASP 61 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1whk s LYS 62 N -3.02 0.81 0.08 -1.24 2.20 -0.95 -5.17 119.74 112.46 1whk s LYS 62 Ca 0.45 1.05 0.07 0.00 -0.36 0.00 0.00 55.97 57.17 1whk s LYS 62 Cb 0.38 0.35 -0.04 0.00 -1.51 0.00 0.00 37.83 37.02 1whk s LYS 62 CO 0.06 -0.11 -0.10 -0.98 -0.36 0.00 0.00 175.35 173.86 1whk s ARG 63 N 0.64 2.18 -0.00 4.03 3.03 -1.26 -0.01 118.95 127.56 1whk s ARG 63 Ca -0.02 -0.98 0.05 0.00 2.03 0.00 0.00 55.73 56.81 1whk s ARG 63 Cb -0.05 -2.32 -0.06 0.00 -1.03 0.00 0.00 34.95 31.49 1whk s ARG 63 CO -0.03 0.52 0.21 0.66 -1.13 0.00 0.00 175.30 175.53 1whk n TYR 64 N 0.90 0.00 -3.46 5.89 4.01 -1.12 -4.94 117.16 118.44 1whk n TYR 64 Ca -0.14 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.49 1whk n TYR 64 Cb 0.52 -0.01 -0.02 0.00 -0.31 0.00 0.00 39.34 39.52 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 -1.54 -0.47 -0.09 -0.72 -0.71 -1.17 -4.20 117.98 109.07 1whk s PHE 65 Ca 0.02 0.36 -0.00 0.00 -1.04 0.00 0.00 56.93 56.26 1whk s PHE 65 Cb 0.04 0.54 -0.03 0.00 -1.21 0.00 0.00 43.02 42.36 1whk s PHE 65 CO 0.21 -0.70 -0.06 0.99 -1.34 0.00 0.00 175.22 174.32 1whk s THR 66 N -3.22 3.76 -0.02 -4.49 2.01 -1.26 -4.22 115.64 108.20 1whk s THR 66 Ca 0.01 -0.44 -0.29 0.00 0.31 0.00 0.00 61.69 61.28 1whk s THR 66 Cb -0.01 -2.56 0.10 0.00 0.01 0.00 0.00 72.50 70.03 1whk s THR 66 CO -0.09 0.57 1.29 0.00 -0.69 0.00 0.00 174.62 175.70 1whk s LYS 68 N -2.06 2.11 -0.06 0.00 1.02 -1.26 -4.66 119.74 114.83 1whk s LYS 68 Ca 0.28 0.13 -0.35 0.00 0.02 0.00 0.00 55.97 56.04 1whk s LYS 68 Cb 0.00 -1.98 -0.13 0.00 -0.52 0.00 0.00 37.83 35.20 1whk s LYS 68 CO -0.01 -1.49 1.75 -2.30 -0.92 0.00 0.00 175.35 172.38 1whk n PRO 69 N -3.24 1.92 -3.07 -1.68 -0.02 -1.26 -2.76 135.00 124.88 1whk n PRO 69 Ca 0.08 0.70 -0.08 0.00 -2.02 0.00 0.00 63.50 62.18 1whk n PRO 69 Cb 0.60 -2.49 0.04 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 5.43 -6.90 0.07 2.55 3.02 -0.30 -4.90 115.26 114.21 1whk n ASN 70 Ca 0.22 -0.40 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 1whk n ASN 70 Cb 0.26 -5.02 0.00 0.00 -0.61 0.00 0.00 39.78 34.41 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 -2.49 -0.61 -3.19 3.10 4.02 -1.11 -2.39 117.16 114.47 1whk n TYR 71 Ca -0.04 0.11 -0.24 0.00 -0.01 0.00 0.00 57.90 57.72 1whk n TYR 71 Cb 0.56 0.15 -0.00 0.00 -0.02 0.00 0.00 39.34 40.03 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 -4.15 1.42 0.39 2.72 0.00 -1.26 -3.01 107.32 103.42 1whk s GLY 72 Ca 0.00 -0.91 0.05 0.00 0.00 0.00 0.00 44.72 43.86 1whk s GLY 72 CO 0.00 -0.81 0.20 -1.34 0.00 0.00 0.00 173.10 171.15 1whk s VAL 73 N -2.43 0.31 -0.10 1.40 -7.23 -1.20 -3.74 120.40 107.41 1whk s VAL 73 Ca 0.43 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.60 1whk s VAL 73 Cb -0.10 -2.36 0.02 0.00 0.56 0.00 0.00 36.38 34.50 1whk s VAL 73 CO 0.37 0.00 -0.06 -0.76 -0.31 0.00 0.00 175.10 174.34 1whk s LEU 74 N -3.53 1.07 0.22 1.32 1.02 -1.26 -2.28 118.68 115.23 1whk s LEU 74 Ca 0.29 -0.25 0.00 0.00 0.02 0.00 0.00 54.13 54.19 1whk s LEU 74 Cb 0.02 -0.75 -0.04 0.00 0.02 0.00 0.00 46.19 45.44 1whk s LEU 74 CO 0.20 -0.13 0.14 0.68 0.02 0.00 0.00 176.35 177.26 1whk s VAL 75 N 1.72 0.05 0.08 -1.59 -7.23 -1.23 -4.91 120.40 107.30 1whk s VAL 75 Ca 0.04 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.21 1whk s VAL 75 Cb -0.13 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 1whk s VAL 75 CO -0.07 0.00 0.23 -0.13 -0.31 0.00 0.00 175.10 174.82 1whk s ARG 76 N -4.07 3.45 0.22 4.82 0.52 -1.26 -1.04 118.95 121.58 1whk s ARG 76 Ca 0.39 -0.46 -0.14 0.00 -0.52 0.00 0.00 55.73 55.00 1whk s ARG 76 Cb 0.07 -3.02 0.25 0.00 0.52 0.00 0.00 34.95 32.77 1whk s ARG 76 CO 0.14 0.58 1.61 -1.35 0.02 0.00 0.00 175.30 176.30 1whk h PRO 77 N 2.87 -0.03 -0.14 3.54 0.11 -1.84 1.72 132.00 138.22 1whk h PRO 77 Ca -0.46 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.70 1whk h PRO 77 Cb 1.17 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1whk h PRO 77 CO 0.74 -0.02 0.26 0.77 -0.21 0.00 0.00 178.00 179.54 1whk h SER 78 N -0.03 0.00 0.45 -2.05 0.02 -1.94 0.96 113.55 110.97 1whk h SER 78 Ca 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 1whk h SER 78 Cb 0.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1whk h SER 78 CO -0.72 0.00 -0.59 0.54 -1.14 0.00 0.00 176.83 174.92 1whk n ARG 79 N -3.40 0.03 -4.14 3.45 5.12 0.57 -4.83 116.66 113.45 1whk n ARG 79 Ca 0.01 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.69 1whk n ARG 79 Cb 0.36 -1.51 -0.17 0.00 -1.16 0.00 0.00 32.46 29.98 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 -3.02 0.86 -0.02 1.55 -7.23 0.33 -3.64 120.40 109.23 1whk s VAL 80 Ca 0.10 -0.25 0.04 0.00 -1.81 0.00 0.00 61.98 60.06 1whk s VAL 80 Cb 0.17 -0.86 -0.03 0.00 0.56 0.00 0.00 36.38 36.22 1whk s VAL 80 CO 0.73 0.32 -0.12 -0.89 -0.31 0.00 0.00 175.10 174.82 1whk s THR 81 N 1.26 3.26 0.00 5.32 2.01 -0.75 -4.71 115.64 122.03 1whk s THR 81 Ca -0.04 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.18 1whk s THR 81 Cb -0.14 -2.34 0.00 0.00 0.01 0.00 0.00 72.50 70.04 1whk s THR 81 CO -0.02 0.50 0.00 0.00 -0.69 0.00 0.00 174.62 174.41 1whk n TYR 82 N 1.99 0.00 -1.46 4.92 4.11 -1.26 -0.60 117.16 124.85 1whk n TYR 82 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.73 1whk n TYR 82 Cb 0.52 0.34 0.00 0.00 -0.00 0.00 0.00 39.34 40.20 1whk n TYR 82 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.86 174.73 1whk n ARG 83 N -2.18 -4.18 0.00 -3.48 3.00 -1.26 -4.98 116.66 103.58 1whk n ARG 83 Ca 0.00 3.08 0.00 0.00 -0.00 0.00 0.00 57.85 60.93 1whk n ARG 83 Cb 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 32.46 29.01 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 -0.54 0.84 3.52 5.14 0.00 -1.26 -5.02 105.19 107.86 1whk n GLY 84 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1whk n GLY 84 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1whk n ILE 85 N 0.00 0.00 -1.51 -0.61 -5.35 -1.26 -4.78 119.36 105.85 1whk n ILE 85 Ca 0.00 -0.30 0.00 0.00 -0.27 0.00 0.00 62.75 62.18 1whk n ILE 85 Cb 0.00 -0.97 0.00 0.00 -1.74 0.00 0.00 39.64 36.93 1whk n ILE 85 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1whk n SER 86 N -4.49 -8.11 0.00 7.28 2.88 -1.26 -5.06 113.62 104.85 1whk n SER 86 Ca 0.06 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.74 1whk n SER 86 Cb 0.54 -4.22 0.00 0.00 -0.75 0.00 0.00 64.21 59.77 1whk n SER 86 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1whk n GLY 87 N -0.36 0.96 3.59 0.46 0.00 -1.26 -5.05 105.19 103.53 1whk n GLY 87 Ca 0.00 -1.90 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 1whk n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1whk s PRO 88 N -2.00 3.23 0.06 1.61 0.04 -1.26 -4.71 135.00 131.98 1whk s PRO 88 Ca 0.00 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.18 1whk s PRO 88 Cb 0.00 -4.20 0.00 0.00 0.04 0.00 0.00 34.50 30.34 1whk s PRO 88 CO 0.00 -1.98 0.00 0.45 0.04 0.00 0.00 177.00 175.51 1whk n SER 89 N 10.49 0.12 0.00 6.66 2.88 -1.26 -4.88 113.62 127.64 1whk n SER 89 Ca 0.21 0.10 -0.10 0.00 -1.33 0.00 0.00 58.87 57.75 1whk n SER 89 Cb 0.48 0.02 -0.14 0.00 -0.75 0.00 0.00 64.21 63.83 1whk n SER 89 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1whk h SER 90 N 0.00 0.07 0.00 -3.46 4.64 -2.06 -3.56 113.55 109.18 1whk h SER 90 Ca 0.00 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1whk h SER 90 Cb 0.32 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1whk h SER 90 CO 0.00 1.11 0.00 0.61 -0.87 0.00 0.00 176.83 177.68