#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 7.56 -0.11 1.61 0.01 -1.26 -4.96 113.70 116.55 1whk s SER 2 Ca 0.00 1.87 0.06 0.00 1.31 0.00 0.00 55.95 59.19 1whk s SER 2 Cb 0.00 -2.58 -0.11 0.00 0.21 0.00 0.00 66.02 63.54 1whk s SER 2 CO 0.00 0.15 -0.03 -1.54 0.41 0.00 0.00 173.24 172.23 1whk n SER 3 N 1.41 2.72 0.00 2.44 3.41 -1.26 -5.08 113.62 117.26 1whk n SER 3 Ca -0.02 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 1whk n SER 3 Cb 0.48 0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.79 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 2.59 -1.01 3.73 5.00 0.00 -1.26 -5.12 105.19 109.11 1whk n GLY 4 Ca -0.19 0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.99 1whk n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1whk s SER 5 N 2.00 6.75 -0.11 1.61 1.04 -1.26 -5.02 113.70 118.70 1whk s SER 5 Ca 0.00 2.53 -0.10 0.00 0.48 0.00 0.00 55.95 58.86 1whk s SER 5 Cb 0.00 -2.61 0.03 0.00 0.10 0.00 0.00 66.02 63.54 1whk s SER 5 CO 0.00 -0.66 0.29 -0.44 0.98 0.00 0.00 173.24 173.42 1whk s SER 6 N 0.57 -0.31 -0.07 7.02 0.01 -1.26 -5.08 113.70 114.58 1whk s SER 6 Ca 0.61 0.60 0.05 0.00 1.31 0.00 0.00 55.95 58.52 1whk s SER 6 Cb -0.40 0.59 -0.01 0.00 0.21 0.00 0.00 66.02 66.41 1whk s SER 6 CO 0.38 -0.11 -0.24 -0.83 0.41 0.00 0.00 173.24 172.84 1whk s GLY 7 N 0.36 1.28 -0.06 3.44 0.00 -1.26 -5.12 107.32 105.96 1whk s GLY 7 Ca -0.02 -1.00 -0.02 0.00 0.00 0.00 0.00 44.72 43.68 1whk s GLY 7 CO -0.01 -0.55 0.12 1.85 0.00 0.00 0.00 173.10 174.51 1whk s GLU 8 N -0.02 0.03 -0.35 2.90 -6.30 -1.26 -5.07 118.70 108.62 1whk s GLU 8 Ca -0.07 0.40 -0.02 0.00 -2.50 0.00 0.00 54.97 52.78 1whk s GLU 8 Cb -0.15 -0.26 0.25 0.00 0.00 0.00 0.00 34.13 33.97 1whk s GLU 8 CO 0.05 -0.23 1.15 0.41 0.02 0.00 0.00 175.26 176.66 1whk n GLY 9 N 4.70 -1.53 2.88 -1.50 0.00 -1.26 -5.11 105.19 103.37 1whk n GLY 9 Ca -0.17 0.97 -0.30 0.00 0.00 0.00 0.00 46.02 46.52 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 0.40 1.73 0.04 2.61 2.01 -1.26 -4.27 115.64 116.90 1whk s THR 10 Ca 0.26 -2.17 -0.01 0.00 0.31 0.00 0.00 61.69 60.09 1whk s THR 10 Cb 0.18 -2.27 -0.03 0.00 0.01 0.00 0.00 72.50 70.39 1whk s THR 10 CO -0.10 -0.69 -0.03 0.54 -0.69 0.00 0.00 174.62 173.66 1whk s VAL 11 N 0.94 0.16 0.86 3.82 0.11 -1.26 -5.16 120.40 119.88 1whk s VAL 11 Ca 0.12 -1.35 -0.11 0.00 -2.93 0.00 0.00 61.98 57.71 1whk s VAL 11 Cb -0.20 -0.90 0.11 0.00 -1.53 0.00 0.00 36.38 33.86 1whk s VAL 11 CO -0.12 -0.75 1.09 -0.54 -3.33 0.00 0.00 175.10 171.46 1whk s LYS 12 N -2.70 1.54 0.18 1.54 -0.14 -1.26 -5.03 119.74 113.87 1whk s LYS 12 Ca -0.04 1.04 -0.11 0.00 -1.36 0.00 0.00 55.97 55.50 1whk s LYS 12 Cb -0.01 -1.82 -0.07 0.00 -1.68 0.00 0.00 37.83 34.25 1whk s LYS 12 CO -0.06 -2.11 0.52 -0.51 -0.76 0.00 0.00 175.35 172.44 1whk s LEU 13 N -6.19 4.26 0.11 3.17 1.43 -1.26 -5.10 118.68 115.10 1whk s LEU 13 Ca 0.63 0.94 0.02 0.00 -1.03 0.00 0.00 54.13 54.69 1whk s LEU 13 Cb -0.18 -3.42 -0.04 0.00 0.03 0.00 0.00 46.19 42.57 1whk s LEU 13 CO 0.57 0.03 -0.05 -2.28 0.23 0.00 0.00 176.35 174.85 1whk s HIS 14 N -1.63 0.94 0.33 0.29 2.46 -1.26 -5.01 115.29 111.41 1whk s HIS 14 Ca 0.42 -0.94 -0.29 0.00 0.47 0.00 0.00 55.06 54.72 1whk s HIS 14 Cb -0.13 -0.54 -0.11 0.00 -0.13 0.00 0.00 32.58 31.67 1whk s HIS 14 CO 0.20 -0.17 1.56 0.39 -2.47 0.00 0.00 174.74 174.25 1whk n GLU 15 N -0.07 2.73 0.00 2.88 1.02 -1.26 -2.40 120.64 123.53 1whk n GLU 15 Ca -0.11 0.96 0.00 0.00 -0.02 0.00 0.00 57.16 57.99 1whk n GLU 15 Cb 0.61 -2.73 0.00 0.00 -0.02 0.00 0.00 31.44 29.30 1whk n GLU 15 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1whk n GLY 16 N 1.39 2.86 3.53 0.62 0.00 -0.34 -5.04 105.19 108.22 1whk n GLY 16 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 0.45 1.05 0.34 1.61 0.01 -1.01 -4.75 113.70 111.40 1whk s SER 17 Ca 0.00 1.10 0.09 0.00 1.31 0.00 0.00 55.95 58.45 1whk s SER 17 Cb 0.00 -1.67 -0.06 0.00 0.21 0.00 0.00 66.02 64.51 1whk s SER 17 CO 0.00 -4.10 -0.00 -1.10 0.41 0.00 0.00 173.24 168.45 1whk s GLN 18 N -4.91 2.04 0.35 12.44 -1.52 -1.26 -2.01 119.66 124.78 1whk s GLN 18 Ca 0.68 -1.79 -0.15 0.00 -1.95 0.00 0.00 55.36 52.16 1whk s GLN 18 Cb -0.18 -1.89 0.04 0.00 -0.22 0.00 0.00 33.01 30.76 1whk s GLN 18 CO 0.60 0.13 0.71 0.14 -0.25 0.00 0.00 175.29 176.61 1whk s VAL 19 N -2.54 0.00 -0.05 1.09 -7.23 -0.24 -4.73 120.40 106.70 1whk s VAL 19 Ca 0.35 -1.12 -0.03 0.00 -1.81 0.00 0.00 61.98 59.36 1whk s VAL 19 Cb 0.01 -2.60 0.02 0.00 0.56 0.00 0.00 36.38 34.37 1whk s VAL 19 CO 0.19 0.00 0.13 -0.22 -0.31 0.00 0.00 175.10 174.89 1whk s LEU 20 N -3.06 1.16 0.32 1.32 2.96 0.68 -1.20 118.68 120.85 1whk s LEU 20 Ca 0.17 0.26 -0.23 0.00 -0.22 0.00 0.00 54.13 54.11 1whk s LEU 20 Cb -0.04 0.38 -0.10 0.00 0.50 0.00 0.00 46.19 46.93 1whk s LEU 20 CO 0.12 -0.09 0.89 -0.76 -1.32 0.00 0.00 176.35 175.18 1whk s LEU 21 N 0.59 4.26 -0.46 -0.68 1.43 -1.17 -0.48 118.68 122.18 1whk s LEU 21 Ca -0.04 1.70 0.04 0.00 -1.03 0.00 0.00 54.13 54.79 1whk s LEU 21 Cb -0.06 -4.01 0.65 0.00 0.03 0.00 0.00 46.19 42.80 1whk s LEU 21 CO -0.03 -0.10 1.91 0.35 0.23 0.00 0.00 176.35 178.71 1whk n THR 22 N 0.35 3.21 0.00 5.49 -2.24 -1.20 -3.11 114.28 116.78 1whk n THR 22 Ca 0.02 -2.03 0.00 0.00 -2.27 0.00 0.00 64.05 59.77 1whk n THR 22 Cb 0.51 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1whk n THR 22 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1whk n SER 23 N -1.13 0.31 0.00 3.42 2.88 -1.26 -4.87 113.62 112.97 1whk n SER 23 Ca 0.59 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 58.24 1whk n SER 23 Cb 1.59 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 64.90 1whk n SER 23 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1whk n SER 24 N -2.40 0.13 -2.37 -3.46 7.64 -1.26 -5.00 113.62 106.91 1whk n SER 24 Ca 0.00 -0.02 -0.15 0.00 1.01 0.00 0.00 58.87 59.71 1whk n SER 24 Cb 0.14 1.79 0.04 0.00 -1.01 0.00 0.00 64.21 65.18 1whk n SER 24 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1whk n ASN 25 N -2.26 -4.73 -4.15 6.43 5.15 -1.18 -5.03 115.26 109.50 1whk n ASN 25 Ca -0.03 -0.31 -0.27 0.00 -0.60 0.00 0.00 54.58 53.37 1whk n ASN 25 Cb 0.55 -3.38 -0.16 0.00 -0.53 0.00 0.00 39.78 36.26 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 -5.71 2.04 0.66 1.20 0.41 -1.26 -4.95 118.70 111.09 1whk s GLU 26 Ca 0.33 -0.66 -0.16 0.00 -0.41 0.00 0.00 54.97 54.07 1whk s GLU 26 Cb -0.15 -1.71 -0.00 0.00 -1.78 0.00 0.00 34.13 30.49 1whk s GLU 26 CO 0.41 0.23 1.17 -1.64 -0.49 0.00 0.00 175.26 174.94 1whk s MET 27 N 0.13 2.66 -0.06 1.61 -1.94 -1.26 -3.02 119.30 117.42 1whk s MET 27 Ca -0.07 1.66 -0.14 0.00 -1.71 0.00 0.00 55.69 55.43 1whk s MET 27 Cb -0.13 -1.91 0.03 0.00 2.01 0.00 0.00 34.83 34.83 1whk s MET 27 CO 0.03 -1.41 0.33 0.00 -0.01 0.00 0.00 175.02 173.96 1whk s ALA 28 N -1.96 -0.83 -0.03 3.03 0.00 -0.34 -4.95 121.76 116.69 1whk s ALA 28 Ca 0.73 0.59 -0.11 0.00 0.00 0.00 0.00 51.96 53.17 1whk s ALA 28 Cb -0.27 -0.17 -0.05 0.00 0.00 0.00 0.00 23.12 22.63 1whk s ALA 28 CO 0.39 -0.23 0.31 0.99 0.00 0.00 0.00 175.76 177.22 1whk s THR 29 N -0.75 5.21 -0.30 0.00 2.01 -1.26 -1.08 115.64 119.48 1whk s THR 29 Ca -0.08 0.54 -0.23 0.00 0.31 0.00 0.00 61.69 62.23 1whk s THR 29 Cb -0.04 -3.59 -0.00 0.00 0.01 0.00 0.00 72.50 68.87 1whk s THR 29 CO 0.03 0.54 0.75 -0.69 -0.69 0.00 0.00 174.62 174.56 1whk s VAL 30 N -1.12 4.83 -0.16 3.82 1.01 -0.85 -2.02 120.40 125.92 1whk s VAL 30 Ca 0.22 1.13 0.12 0.00 0.00 0.00 0.00 61.98 63.45 1whk s VAL 30 Cb -0.15 -4.10 -0.18 0.00 0.00 0.00 0.00 36.38 31.95 1whk s VAL 30 CO 0.11 -0.21 0.03 0.54 0.00 0.00 0.00 175.10 175.57 1whk n ARG 31 N 6.10 1.40 -4.03 2.72 5.12 -0.74 -1.20 116.66 126.03 1whk n ARG 31 Ca 0.03 0.01 -0.08 0.00 -1.93 0.00 0.00 57.85 55.87 1whk n ARG 31 Cb 0.48 -1.39 -0.11 0.00 -1.16 0.00 0.00 32.46 30.28 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 -2.37 0.38 -0.29 -1.55 5.04 -1.06 -4.85 117.35 112.65 1whk s TYR 32 Ca -0.10 -0.76 0.00 0.00 -2.44 0.00 0.00 57.07 53.78 1whk s TYR 32 Cb 0.05 -0.28 0.14 0.00 0.35 0.00 0.00 41.96 42.22 1whk s TYR 32 CO 0.61 -0.27 0.33 0.08 -1.34 0.00 0.00 175.55 174.96 1whk s VAL 33 N -2.49 -0.47 -0.02 3.14 1.01 -1.26 -1.03 120.40 119.28 1whk s VAL 33 Ca -0.06 -0.42 -0.29 0.00 0.00 0.00 0.00 61.98 61.21 1whk s VAL 33 Cb -0.02 -0.98 0.11 0.00 0.00 0.00 0.00 36.38 35.49 1whk s VAL 33 CO -0.05 -0.40 1.29 -0.83 0.00 0.00 0.00 175.10 175.11 1whk s GLY 34 N 2.41 -0.29 0.37 4.51 0.00 -1.04 -5.03 107.32 108.26 1whk s GLY 34 Ca 0.09 0.41 -0.26 0.00 0.00 0.00 0.00 44.72 44.96 1whk s GLY 34 CO -0.31 2.44 1.19 2.56 0.00 0.00 0.00 173.10 178.97 1whk s PRO 35 N -2.23 4.18 0.62 2.90 0.04 -1.26 -2.75 135.00 136.50 1whk s PRO 35 Ca 0.21 1.92 0.02 0.00 0.04 0.00 0.00 61.00 63.18 1whk s PRO 35 Cb 0.03 -2.82 0.12 0.00 0.04 0.00 0.00 34.50 31.87 1whk s PRO 35 CO -0.03 -0.23 0.85 0.25 0.04 0.00 0.00 177.00 177.89 1whk n THR 36 N 0.35 0.00 -0.07 1.26 -2.24 -1.26 -4.95 114.28 107.37 1whk n THR 36 Ca 0.03 -1.46 -0.07 0.00 -2.27 0.00 0.00 64.05 60.27 1whk n THR 36 Cb 0.45 -0.87 -0.09 0.00 -2.10 0.00 0.00 70.33 67.72 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 -2.81 2.25 0.10 3.42 2.03 -1.26 -4.63 116.55 115.64 1whk n ASP 37 Ca 0.15 -0.03 -0.23 0.00 0.52 0.00 0.00 54.79 55.21 1whk n ASP 37 Cb 0.53 0.48 -0.15 0.00 -0.72 0.00 0.00 41.12 41.26 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 0.00 0.86 -4.81 -0.67 -5.15 -1.97 -3.47 116.94 101.73 1whk h PHE 38 Ca -0.33 -0.59 -0.26 0.00 -0.20 0.00 0.00 57.97 56.59 1whk h PHE 38 Cb 1.68 -0.05 0.04 0.00 0.22 0.00 0.00 35.95 37.84 1whk h PHE 38 CO 0.01 1.45 0.03 0.00 -2.00 0.00 0.00 178.31 177.80 1whk n ALA 39 N -2.69 0.30 -3.76 12.09 0.00 -1.26 -5.10 120.51 120.08 1whk n ALA 39 Ca -0.15 -1.09 -0.29 0.00 0.00 0.00 0.00 53.44 51.91 1whk n ALA 39 Cb 0.97 0.22 -0.16 0.00 0.00 0.00 0.00 19.45 20.49 1whk n ALA 39 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1whk s SER 40 N -3.12 3.64 0.00 0.00 0.01 -1.26 -4.69 113.70 108.28 1whk s SER 40 Ca 0.35 -1.30 0.00 0.00 1.31 0.00 0.00 55.95 56.30 1whk s SER 40 Cb -0.02 -0.82 0.00 0.00 0.21 0.00 0.00 66.02 65.39 1whk s SER 40 CO 0.23 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 174.13 1whk n GLY 41 N 4.89 0.39 3.10 3.44 0.00 -1.26 -5.08 105.19 110.67 1whk n GLY 41 Ca -0.06 -1.11 -0.25 0.00 0.00 0.00 0.00 46.02 44.60 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 1.32 0.11 -0.61 1.01 -1.26 -4.07 121.20 114.83 1whk s ILE 42 Ca 0.00 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 60.04 1whk s ILE 42 Cb 0.00 -1.15 -0.04 0.00 0.01 0.00 0.00 42.46 41.27 1whk s ILE 42 CO 0.00 0.39 -0.08 0.26 0.00 0.00 0.00 174.94 175.51 1whk s TRP 43 N 0.22 1.02 -0.29 3.97 0.52 -1.11 -4.39 118.94 118.88 1whk s TRP 43 Ca -0.07 -0.83 0.00 0.00 0.02 0.00 0.00 56.10 55.22 1whk s TRP 43 Cb -0.13 -0.56 0.06 0.00 -1.15 0.00 0.00 33.47 31.69 1whk s TRP 43 CO 0.03 -0.06 -0.03 -0.51 0.02 0.00 0.00 176.95 176.40 1whk s LEU 44 N -3.00 3.84 -0.95 2.99 1.43 -0.25 -2.49 118.68 120.25 1whk s LEU 44 Ca 0.12 -1.39 -0.25 0.00 -1.03 0.00 0.00 54.13 51.58 1whk s LEU 44 Cb 0.03 -1.66 -0.14 0.00 0.03 0.00 0.00 46.19 44.46 1whk s LEU 44 CO -0.02 -0.25 2.17 -0.83 0.23 0.00 0.00 176.35 177.64 1whk s GLY 45 N 1.21 -0.58 0.88 -3.19 0.00 -0.19 -3.63 107.32 101.82 1whk s GLY 45 Ca -0.05 -1.33 -0.12 0.00 0.00 0.00 0.00 44.72 43.22 1whk s GLY 45 CO -0.03 4.01 1.10 1.08 0.00 0.00 0.00 173.10 179.26 1whk s LEU 46 N 13.99 2.21 -0.21 0.66 1.43 0.26 -1.79 118.68 135.25 1whk s LEU 46 Ca 0.81 1.28 -0.04 0.00 -1.03 0.00 0.00 54.13 55.15 1whk s LEU 46 Cb -0.08 -3.70 0.10 0.00 0.03 0.00 0.00 46.19 42.55 1whk s LEU 46 CO 0.10 -2.48 0.30 -0.70 0.23 0.00 0.00 176.35 173.79 1whk s GLU 47 N -5.08 0.25 0.28 1.70 2.12 -0.86 -2.16 118.70 114.95 1whk s GLU 47 Ca 0.63 0.44 -0.02 0.00 0.36 0.00 0.00 54.97 56.38 1whk s GLU 47 Cb -0.16 -0.70 -0.04 0.00 0.26 0.00 0.00 34.13 33.49 1whk s GLU 47 CO 0.55 -0.58 0.51 -0.51 -0.54 0.00 0.00 175.26 174.70 1whk s LEU 48 N 2.44 4.09 -0.49 2.70 1.43 -0.89 -4.06 118.68 123.88 1whk s LEU 48 Ca 0.08 0.56 0.02 0.00 -1.03 0.00 0.00 54.13 53.77 1whk s LEU 48 Cb -0.15 -3.38 0.60 0.00 0.03 0.00 0.00 46.19 43.29 1whk s LEU 48 CO -0.13 -0.19 1.93 0.54 0.23 0.00 0.00 176.35 178.74 1whk n ARG 49 N -1.10 2.33 -3.51 1.70 3.00 -1.26 -4.52 116.66 113.29 1whk n ARG 49 Ca -0.03 -3.01 -0.17 0.00 -0.01 0.00 0.00 57.85 54.63 1whk n ARG 49 Cb 0.54 -2.18 -0.05 0.00 0.00 0.00 0.00 32.46 30.77 1whk n ARG 49 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1whk s SER 50 N -1.37 -0.62 -0.94 0.55 0.15 -1.26 -5.06 113.70 105.14 1whk s SER 50 Ca 0.58 0.61 -0.24 0.00 0.70 0.00 0.00 55.95 57.60 1whk s SER 50 Cb 0.48 0.52 -0.15 0.00 -1.71 0.00 0.00 66.02 65.16 1whk s SER 50 CO 0.08 -0.62 1.92 0.00 1.20 0.00 0.00 173.24 175.81 1whk n ALA 51 N 0.75 2.04 -2.49 5.45 0.00 -1.26 -4.41 120.51 120.59 1whk n ALA 51 Ca -0.18 -3.01 0.01 0.00 0.00 0.00 0.00 53.44 50.26 1whk n ALA 51 Cb 0.58 -3.54 0.05 0.00 0.00 0.00 0.00 19.45 16.54 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 7.83 1.07 0.00 0.00 5.02 -1.19 -5.00 118.16 125.89 1whk n LYS 52 Ca 0.46 -2.85 0.00 0.00 -2.02 0.00 0.00 58.31 53.90 1whk n LYS 52 Cb 0.44 -0.93 0.00 0.00 -0.02 0.00 0.00 35.03 34.53 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 -0.16 5.41 1.48 0.72 0.00 -1.20 -4.95 105.19 106.49 1whk n GLY 53 Ca 0.11 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.26 -4.76 118.16 117.31 1whk n LYS 54 Ca 0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.94 1whk n LYS 54 Cb 0.00 -0.09 0.09 0.00 -0.02 0.00 0.00 35.03 35.01 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 -3.68 4.15 -0.36 4.39 0.01 -1.24 -4.09 114.94 114.12 1whk s ASN 55 Ca 0.00 2.52 0.06 0.00 -0.71 0.00 0.00 52.86 54.73 1whk s ASN 55 Cb 0.00 -2.61 0.51 0.00 0.41 0.00 0.00 41.25 39.56 1whk s ASN 55 CO 0.00 -2.30 1.54 -0.67 -1.51 0.00 0.00 177.10 174.15 1whk n ASP 56 N -2.51 3.70 0.00 -1.22 -0.08 -1.26 -2.14 116.55 113.04 1whk n ASP 56 Ca 0.15 -3.78 0.00 0.00 -1.51 0.00 0.00 54.79 49.65 1whk n ASP 56 Cb 0.49 -0.65 0.00 0.00 2.34 0.00 0.00 41.12 43.30 1whk n ASP 56 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1whk n GLY 57 N -1.03 3.07 3.14 0.27 0.00 -1.26 -4.64 105.19 104.73 1whk n GLY 57 Ca 0.42 -0.72 -0.20 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.32 1.15 -0.01 4.61 0.00 -1.26 -2.42 121.76 122.51 1whk s ALA 58 Ca 0.00 -0.83 0.05 0.00 0.00 0.00 0.00 51.96 51.18 1whk s ALA 58 Cb 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 1whk s ALA 58 CO 0.00 0.21 -0.16 0.08 0.00 0.00 0.00 175.76 175.89 1whk s VAL 59 N -0.88 1.25 0.00 0.00 1.01 -1.17 -5.01 120.40 115.59 1whk s VAL 59 Ca 0.01 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.32 1whk s VAL 59 Cb -0.08 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 35.26 1whk s VAL 59 CO 0.01 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.08 1whk n GLY 60 N 2.70 3.65 1.42 4.51 0.00 -1.26 -2.13 105.19 114.08 1whk n GLY 60 Ca -0.14 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 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 5.16 2.75 -3.74 1.61 -0.08 -1.26 -4.99 116.55 116.00 1whk n ASP 61 Ca 0.00 -3.76 -0.19 0.00 -1.51 0.00 0.00 54.79 49.33 1whk n ASP 61 Cb 0.00 -0.68 -0.09 0.00 2.34 0.00 0.00 41.12 42.69 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 1.64 0.18 -0.67 2.20 -0.90 -5.12 119.74 113.80 1whk s LYS 62 Ca 0.48 -1.94 0.05 0.00 -0.36 0.00 0.00 55.97 54.20 1whk s LYS 62 Cb 0.43 0.11 -0.05 0.00 -1.51 0.00 0.00 37.83 36.81 1whk s LYS 62 CO 0.02 -0.54 -0.09 0.50 -0.36 0.00 0.00 175.35 174.89 1whk s ARG 63 N -3.69 1.20 0.00 4.03 6.06 -1.26 -3.06 118.95 122.23 1whk s ARG 63 Ca 0.37 -1.55 0.00 0.00 -2.50 0.00 0.00 55.73 52.06 1whk s ARG 63 Cb 0.04 -0.75 0.00 0.00 0.06 0.00 0.00 34.95 34.30 1whk s ARG 63 CO 0.21 0.06 0.00 0.66 -2.50 0.00 0.00 175.30 173.73 1whk n TYR 64 N -0.31 -0.74 -4.06 5.12 4.01 -1.24 -4.96 117.16 114.98 1whk n TYR 64 Ca -0.08 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.52 1whk n TYR 64 Cb 0.61 0.50 -0.04 0.00 -0.31 0.00 0.00 39.34 40.10 1whk n TYR 64 CO 0.00 0.00 0.00 1.97 -0.46 0.00 0.00 176.86 178.37 1whk n PHE 65 N -2.49 -1.10 -3.67 -0.72 -1.74 -1.01 -4.37 117.46 102.36 1whk n PHE 65 Ca 0.00 -2.09 -0.22 0.00 -0.56 0.00 0.00 57.45 54.58 1whk n PHE 65 Cb 0.00 0.40 -0.18 0.00 1.52 0.00 0.00 39.48 41.22 1whk n PHE 65 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 1whk s THR 66 N -2.87 -0.03 0.34 1.97 2.01 -1.26 -4.25 115.64 111.55 1whk s THR 66 Ca 0.27 0.20 -0.14 0.00 0.31 0.00 0.00 61.69 62.33 1whk s THR 66 Cb -0.00 -0.34 0.03 0.00 0.01 0.00 0.00 72.50 72.20 1whk s THR 66 CO 0.19 0.05 0.68 0.00 -0.69 0.00 0.00 174.62 174.85 1whk s LYS 68 N -3.02 0.77 0.03 0.00 1.02 -1.26 -4.55 119.74 112.73 1whk s LYS 68 Ca 0.18 1.43 -0.33 0.00 0.02 0.00 0.00 55.97 57.27 1whk s LYS 68 Cb -0.04 -1.71 -0.12 0.00 -0.52 0.00 0.00 37.83 35.45 1whk s LYS 68 CO 0.12 -2.76 1.82 -2.30 -0.92 0.00 0.00 175.35 171.31 1whk n PRO 69 N -4.31 2.40 -3.07 -1.68 -0.02 -1.26 -2.86 135.00 124.19 1whk n PRO 69 Ca 0.10 0.88 -0.11 0.00 -2.02 0.00 0.00 63.50 62.35 1whk n PRO 69 Cb 0.52 -2.73 0.05 0.00 -0.02 0.00 0.00 33.50 31.33 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 5.87 -6.46 0.00 2.55 5.03 -0.91 -4.89 115.26 116.45 1whk n ASN 70 Ca 0.20 -0.54 0.00 0.00 0.87 0.00 0.00 54.58 55.11 1whk n ASN 70 Cb 0.33 -4.84 0.00 0.00 -1.02 0.00 0.00 39.78 34.24 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 -2.83 0.00 -3.02 3.10 4.02 -1.14 -3.20 117.16 114.10 1whk n TYR 71 Ca -0.05 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.58 1whk n TYR 71 Cb 0.59 0.22 -0.01 0.00 -0.02 0.00 0.00 39.34 40.13 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 -4.43 1.44 0.30 2.72 0.00 -1.26 -2.10 107.32 103.99 1whk s GLY 72 Ca 0.00 -0.70 0.05 0.00 0.00 0.00 0.00 44.72 44.07 1whk s GLY 72 CO 0.00 -0.58 0.22 -1.34 0.00 0.00 0.00 173.10 171.40 1whk s VAL 73 N -2.51 0.05 -0.08 1.40 -7.23 -0.92 -3.66 120.40 107.45 1whk s VAL 73 Ca 0.44 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.57 1whk s VAL 73 Cb -0.10 -2.49 0.04 0.00 0.56 0.00 0.00 36.38 34.39 1whk s VAL 73 CO 0.40 0.00 0.17 -0.76 -0.31 0.00 0.00 175.10 174.60 1whk s LEU 74 N -3.33 0.59 0.34 1.32 1.02 -1.26 0.92 118.68 118.28 1whk s LEU 74 Ca 0.39 0.35 0.06 0.00 0.02 0.00 0.00 54.13 54.95 1whk s LEU 74 Cb 0.04 0.44 -0.02 0.00 0.02 0.00 0.00 46.19 46.67 1whk s LEU 74 CO 0.22 -0.16 0.33 0.68 0.02 0.00 0.00 176.35 177.44 1whk s VAL 75 N 1.28 0.00 0.14 -1.59 -7.23 -1.24 -4.92 120.40 106.85 1whk s VAL 75 Ca -0.08 -1.92 0.01 0.00 -1.81 0.00 0.00 61.98 58.18 1whk s VAL 75 Cb -0.11 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 1whk s VAL 75 CO -0.07 0.00 0.30 -0.13 -0.31 0.00 0.00 175.10 174.90 1whk s ARG 76 N -3.31 3.47 0.17 4.82 0.52 -1.26 -1.09 118.95 122.27 1whk s ARG 76 Ca 0.39 -0.45 -0.25 0.00 -0.52 0.00 0.00 55.73 54.89 1whk s ARG 76 Cb 0.02 -2.94 0.04 0.00 0.52 0.00 0.00 34.95 32.58 1whk s ARG 76 CO 0.27 0.51 1.57 -1.35 0.02 0.00 0.00 175.30 176.32 1whk h PRO 77 N 2.38 -0.24 -0.16 3.54 0.11 -1.88 1.35 132.00 137.11 1whk h PRO 77 Ca -0.47 0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.70 1whk h PRO 77 Cb 1.18 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1whk h PRO 77 CO 0.71 -0.16 0.24 0.66 -0.21 0.00 0.00 178.00 179.24 1whk h SER 78 N -0.25 0.00 0.99 -2.05 4.64 -1.95 1.04 113.55 115.97 1whk h SER 78 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1whk h SER 78 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1whk h SER 78 CO -0.65 0.00 -0.34 0.54 -0.87 0.00 0.00 176.83 175.51 1whk n ARG 79 N -3.51 0.19 -5.20 4.77 5.12 0.44 -4.80 116.66 113.66 1whk n ARG 79 Ca 0.01 0.09 -0.32 0.00 -1.93 0.00 0.00 57.85 55.71 1whk n ARG 79 Cb 0.35 -1.66 -0.16 0.00 -1.16 0.00 0.00 32.46 29.83 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 -3.09 2.18 -0.06 1.55 -7.23 0.36 -3.26 120.40 110.84 1whk s VAL 80 Ca 0.09 -1.01 0.06 0.00 -1.81 0.00 0.00 61.98 59.31 1whk s VAL 80 Cb 0.15 -1.81 -0.01 0.00 0.56 0.00 0.00 36.38 35.27 1whk s VAL 80 CO 0.65 0.57 -0.25 0.42 -0.31 0.00 0.00 175.10 176.18 1whk s THR 81 N -0.09 2.03 0.00 5.32 -4.23 0.37 -4.81 115.64 114.23 1whk s THR 81 Ca -0.05 -1.05 0.00 0.00 -1.18 0.00 0.00 61.69 59.41 1whk s THR 81 Cb -0.14 -1.72 0.00 0.00 1.34 0.00 0.00 72.50 71.97 1whk s THR 81 CO 0.04 0.56 0.00 0.00 -0.54 0.00 0.00 174.62 174.69 1whk n TYR 82 N 3.04 -0.34 0.00 3.99 4.11 -1.26 -0.23 117.16 126.46 1whk n TYR 82 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.72 1whk n TYR 82 Cb 0.52 0.35 0.00 0.00 -0.00 0.00 0.00 39.34 40.21 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 -2.19 0.00 -0.83 -3.48 3.00 -1.26 -5.04 116.66 106.86 1whk n ARG 83 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.52 1whk n ARG 83 Cb 0.00 -0.65 0.11 0.00 0.00 0.00 0.00 32.46 31.93 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 2.51 -2.06 3.85 5.14 0.00 -1.26 -4.97 105.19 108.41 1whk n GLY 84 Ca 0.00 -0.73 -0.36 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.35 5.02 -0.46 -0.61 -1.09 -1.26 -5.03 121.20 115.41 1whk s ILE 85 Ca 0.57 0.63 0.04 0.00 -2.23 0.00 0.00 60.65 59.66 1whk s ILE 85 Cb -0.22 -3.68 0.22 0.00 -1.58 0.00 0.00 42.46 37.20 1whk s ILE 85 CO 0.67 0.35 0.90 -0.24 -1.23 0.00 0.00 174.94 175.39 1whk n SER 86 N 1.11 -2.74 -0.41 3.58 2.88 -1.26 -5.09 113.62 111.69 1whk n SER 86 Ca -0.09 -2.71 0.00 0.00 -1.33 0.00 0.00 58.87 54.75 1whk n SER 86 Cb 0.52 1.54 0.00 0.00 -0.75 0.00 0.00 64.21 65.52 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 2.20 -0.61 0.23 0.46 0.00 -1.26 -4.94 105.19 101.27 1whk n GLY 87 Ca 0.12 -0.76 0.08 0.00 0.00 0.00 0.00 46.02 45.46 1whk n GLY 87 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1whk h PRO 88 N 0.00 0.00 0.00 1.61 0.13 -1.99 -3.44 132.00 128.30 1whk h PRO 88 Ca 0.00 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.67 1whk h PRO 88 Cb 0.00 0.00 0.10 0.00 0.13 0.00 0.00 31.00 31.23 1whk h PRO 88 CO 0.00 0.22 0.17 -1.13 -0.23 0.00 0.00 178.00 177.03 1whk n SER 89 N -3.86 1.12 -4.57 1.44 3.41 -1.26 -5.06 113.62 104.84 1whk n SER 89 Ca -0.02 -2.02 -0.40 0.00 -0.26 0.00 0.00 58.87 56.18 1whk n SER 89 Cb 0.31 -0.72 -0.10 0.00 -0.26 0.00 0.00 64.21 63.45 1whk n SER 89 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1whk s SER 90 N -5.22 6.15 0.00 4.04 0.01 -1.26 -5.12 113.70 112.30 1whk s SER 90 Ca 0.68 -0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.89 1whk s SER 90 Cb -0.03 -2.18 0.00 0.00 0.21 0.00 0.00 66.02 64.02 1whk s SER 90 CO 0.46 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.50