#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 -0.15 0.21 1.61 0.15 -1.26 -4.78 113.70 109.48 1whk s SER 2 Ca 0.00 0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.90 1whk s SER 2 Cb 0.00 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 1whk s SER 2 CO 0.00 -0.15 0.00 -0.24 1.20 0.00 0.00 173.24 174.05 1whk n SER 3 N 2.58 0.31 -3.31 5.45 2.88 -1.26 -5.06 113.62 115.22 1whk n SER 3 Ca -0.15 0.35 -0.11 0.00 -1.33 0.00 0.00 58.87 57.63 1whk n SER 3 Cb 0.58 0.12 -0.05 0.00 -0.75 0.00 0.00 64.21 64.11 1whk n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1whk s GLY 4 N -4.56 -0.45 0.58 0.46 0.00 -1.26 -5.13 107.32 96.96 1whk s GLY 4 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 44.72 44.13 1whk s GLY 4 CO 0.00 3.06 0.00 1.44 0.00 0.00 0.00 173.10 177.60 1whk n SER 5 N 4.27 -8.25 -1.46 1.64 7.64 -1.26 -4.98 113.62 111.23 1whk n SER 5 Ca 0.11 1.33 0.20 0.00 1.01 0.00 0.00 58.87 61.52 1whk n SER 5 Cb 0.49 -4.93 -0.05 0.00 -1.01 0.00 0.00 64.21 58.71 1whk n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1whk n SER 6 N -4.36 -8.65 0.00 6.43 7.64 -1.26 -5.06 113.62 108.36 1whk n SER 6 Ca -0.08 0.58 0.00 0.00 1.01 0.00 0.00 58.87 60.38 1whk n SER 6 Cb 0.69 -4.40 0.00 0.00 -1.01 0.00 0.00 64.21 59.49 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 -4.27 2.88 3.95 0.23 0.00 -1.26 -4.83 105.19 101.89 1whk n GLY 7 Ca 0.01 -0.90 -0.27 0.00 0.00 0.00 0.00 46.02 44.86 1whk n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1whk s GLU 8 N -2.00 1.39 0.00 1.61 2.02 -1.26 -4.85 118.70 115.61 1whk s GLU 8 Ca 0.00 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 54.37 1whk s GLU 8 Cb 0.00 -2.10 0.00 0.00 0.10 0.00 0.00 34.13 32.13 1whk s GLU 8 CO 0.00 -1.78 0.00 0.41 0.02 0.00 0.00 175.26 173.91 1whk n GLY 9 N -3.23 0.74 3.43 -1.39 0.00 -1.26 -5.02 105.19 98.46 1whk n GLY 9 Ca 0.13 0.00 -0.33 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 -0.99 3.46 -0.11 2.61 2.01 -1.26 -4.98 115.64 116.38 1whk s THR 10 Ca 0.00 -0.51 0.08 0.00 0.31 0.00 0.00 61.69 61.57 1whk s THR 10 Cb 0.00 -2.49 -0.12 0.00 0.01 0.00 0.00 72.50 69.90 1whk s THR 10 CO 0.00 0.50 0.01 0.55 -0.69 0.00 0.00 174.62 174.99 1whk n VAL 11 N 3.59 0.72 -2.96 3.82 3.14 -1.26 -5.04 118.33 120.33 1whk n VAL 11 Ca -0.18 -0.41 0.00 0.00 -2.96 0.00 0.00 64.34 60.79 1whk n VAL 11 Cb 0.52 -0.77 0.00 0.00 -1.06 0.00 0.00 33.84 32.54 1whk n VAL 11 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1whk n LYS 12 N -2.47 1.07 -2.55 1.45 4.81 -1.26 -5.08 118.16 114.13 1whk n LYS 12 Ca -0.18 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 56.88 1whk n LYS 12 Cb 0.82 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.83 1whk n LYS 12 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1whk s LEU 13 N 0.00 4.31 0.04 3.14 1.02 -1.26 -5.05 118.68 120.88 1whk s LEU 13 Ca 0.00 2.09 0.04 0.00 0.02 0.00 0.00 54.13 56.28 1whk s LEU 13 Cb 0.00 -3.97 -0.04 0.00 0.02 0.00 0.00 46.19 42.20 1whk s LEU 13 CO 0.00 -0.32 -0.05 -2.28 0.02 0.00 0.00 176.35 173.73 1whk s HIS 14 N -1.48 2.91 0.36 0.29 2.46 -1.26 -4.99 115.29 113.59 1whk s HIS 14 Ca 0.52 -0.04 -0.28 0.00 0.47 0.00 0.00 55.06 55.73 1whk s HIS 14 Cb -0.25 -1.57 -0.11 0.00 -0.13 0.00 0.00 32.58 30.52 1whk s HIS 14 CO 0.32 0.42 1.49 -1.21 -2.47 0.00 0.00 174.74 173.28 1whk s GLU 15 N -1.79 4.13 0.00 2.88 2.02 -1.26 -3.18 118.70 121.50 1whk s GLU 15 Ca 0.20 2.54 0.00 0.00 0.02 0.00 0.00 54.97 57.74 1whk s GLU 15 Cb -0.11 -2.98 0.00 0.00 0.10 0.00 0.00 34.13 31.13 1whk s GLU 15 CO 0.12 -0.52 0.00 0.41 0.02 0.00 0.00 175.26 175.29 1whk n GLY 16 N 0.72 0.96 3.84 -1.39 0.00 -0.69 -5.03 105.19 103.60 1whk n GLY 16 Ca 0.02 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.61 4.38 -0.17 1.61 0.01 -1.19 -4.94 113.70 110.79 1whk s SER 17 Ca 0.00 -1.48 0.01 0.00 1.31 0.00 0.00 55.95 55.79 1whk s SER 17 Cb 0.00 0.55 0.01 0.00 0.21 0.00 0.00 66.02 66.79 1whk s SER 17 CO 0.00 -1.01 -0.19 -1.10 0.41 0.00 0.00 173.24 171.34 1whk s GLN 18 N -4.09 3.04 0.19 12.44 -1.52 -1.26 -2.31 119.66 126.14 1whk s GLN 18 Ca 0.18 -0.82 0.11 0.00 -1.95 0.00 0.00 55.36 52.88 1whk s GLN 18 Cb -0.01 -2.56 -0.04 0.00 -0.22 0.00 0.00 33.01 30.18 1whk s GLN 18 CO 0.11 -0.13 -0.22 0.14 -0.25 0.00 0.00 175.29 174.94 1whk s VAL 19 N 1.12 2.47 -0.11 1.09 -7.23 -0.48 -4.61 120.40 112.65 1whk s VAL 19 Ca 0.00 -1.99 0.02 0.00 -1.81 0.00 0.00 61.98 58.21 1whk s VAL 19 Cb -0.14 -2.19 -0.01 0.00 0.56 0.00 0.00 36.38 34.60 1whk s VAL 19 CO -0.08 -0.12 -0.20 -0.22 -0.31 0.00 0.00 175.10 174.17 1whk s LEU 20 N -2.72 2.34 0.39 1.32 2.96 -1.01 0.21 118.68 122.18 1whk s LEU 20 Ca 0.22 -0.46 -0.25 0.00 -0.22 0.00 0.00 54.13 53.41 1whk s LEU 20 Cb -0.08 -1.49 -0.09 0.00 0.50 0.00 0.00 46.19 45.04 1whk s LEU 20 CO 0.11 0.17 1.11 -0.76 -1.32 0.00 0.00 176.35 175.65 1whk s LEU 21 N 0.31 4.19 -0.47 -0.68 1.43 -1.02 -2.55 118.68 119.89 1whk s LEU 21 Ca -0.15 2.21 0.03 0.00 -1.03 0.00 0.00 54.13 55.18 1whk s LEU 21 Cb -0.17 -4.07 0.62 0.00 0.03 0.00 0.00 46.19 42.60 1whk s LEU 21 CO 0.07 -0.56 1.92 0.35 0.23 0.00 0.00 176.35 178.36 1whk n THR 22 N 0.08 3.23 0.00 5.49 -2.24 -1.24 -3.39 114.28 116.22 1whk n THR 22 Ca 0.04 -2.04 0.00 0.00 -2.27 0.00 0.00 64.05 59.79 1whk n THR 22 Cb 0.48 -0.60 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 1whk n THR 22 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1whk n SER 23 N -1.07 0.00 0.13 3.42 7.64 -1.26 -4.91 113.62 117.58 1whk n SER 23 Ca 0.59 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.58 1whk n SER 23 Cb 1.48 0.21 0.04 0.00 -1.01 0.00 0.00 64.21 64.93 1whk n SER 23 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1whk h SER 24 N 0.00 0.00 -5.12 6.43 0.02 -1.99 -3.48 113.55 109.41 1whk h SER 24 Ca 0.00 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.64 1whk h SER 24 Cb 0.00 0.00 0.13 0.00 0.14 0.00 0.00 62.40 62.67 1whk h SER 24 CO 0.00 0.04 -0.62 0.59 -1.14 0.00 0.00 176.83 175.70 1whk n ASN 25 N -2.80 -3.77 -3.89 3.07 3.02 -1.22 -5.02 115.26 104.64 1whk n ASN 25 Ca 0.00 -0.50 -0.15 0.00 -0.03 0.00 0.00 54.58 53.91 1whk n ASN 25 Cb 0.57 -4.41 -0.15 0.00 -0.61 0.00 0.00 39.78 35.18 1whk n ASN 25 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1whk s GLU 26 N -5.61 0.23 0.19 3.52 0.41 -1.26 -4.94 118.70 111.24 1whk s GLU 26 Ca 0.23 -0.06 -0.30 0.00 -0.41 0.00 0.00 54.97 54.44 1whk s GLU 26 Cb -0.10 -0.27 -0.08 0.00 -1.78 0.00 0.00 34.13 31.90 1whk s GLU 26 CO 0.62 0.02 1.05 -1.64 -0.49 0.00 0.00 175.26 174.82 1whk s MET 27 N 0.17 4.66 0.04 1.61 -1.94 -1.26 -2.42 119.30 120.15 1whk s MET 27 Ca -0.01 1.64 0.05 0.00 -1.71 0.00 0.00 55.69 55.66 1whk s MET 27 Cb -0.04 -3.29 -0.02 0.00 2.01 0.00 0.00 34.83 33.50 1whk s MET 27 CO -0.00 0.19 -0.15 0.00 -0.01 0.00 0.00 175.02 175.05 1whk s ALA 28 N -0.46 1.23 -0.05 3.03 0.00 0.13 -4.95 121.76 120.68 1whk s ALA 28 Ca 0.47 -0.84 -0.21 0.00 0.00 0.00 0.00 51.96 51.38 1whk s ALA 28 Cb -0.28 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 1whk s ALA 28 CO 0.34 0.24 0.60 0.99 0.00 0.00 0.00 175.76 177.93 1whk s THR 29 N -0.82 5.03 -0.04 0.00 2.01 -1.15 -1.39 115.64 119.29 1whk s THR 29 Ca 0.02 1.24 -0.28 0.00 0.31 0.00 0.00 61.69 62.98 1whk s THR 29 Cb -0.08 -3.94 -0.03 0.00 0.01 0.00 0.00 72.50 68.46 1whk s THR 29 CO 0.01 0.34 0.90 -0.69 -0.69 0.00 0.00 174.62 174.49 1whk s VAL 30 N 0.34 4.91 -0.04 3.82 1.01 -0.98 -1.73 120.40 127.73 1whk s VAL 30 Ca 0.32 1.87 0.01 0.00 0.00 0.00 0.00 61.98 64.18 1whk s VAL 30 Cb -0.17 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 1whk s VAL 30 CO 0.16 0.16 -0.04 0.54 0.00 0.00 0.00 175.10 175.92 1whk n ARG 31 N 4.05 0.41 -4.17 2.72 5.12 -0.75 -1.70 116.66 122.33 1whk n ARG 31 Ca 0.04 0.02 -0.18 0.00 -1.93 0.00 0.00 57.85 55.80 1whk n ARG 31 Cb 0.51 -1.09 -0.12 0.00 -1.16 0.00 0.00 32.46 30.60 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 -2.09 1.23 -0.26 -1.55 5.04 -1.20 -4.84 117.35 113.68 1whk s TYR 32 Ca -0.06 -0.46 -0.01 0.00 -2.44 0.00 0.00 57.07 54.10 1whk s TYR 32 Cb 0.02 -0.69 0.14 0.00 0.35 0.00 0.00 41.96 41.77 1whk s TYR 32 CO 0.11 0.06 0.36 0.08 -1.34 0.00 0.00 175.55 174.81 1whk s VAL 33 N -1.30 -0.55 -3.95 3.14 1.01 -1.26 -1.20 120.40 116.29 1whk s VAL 33 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.73 1whk s VAL 33 Cb -0.10 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.39 1whk s VAL 33 CO 0.02 -0.25 0.00 0.61 0.00 0.00 0.00 175.10 175.48 1whk n GLY 34 N 5.35 -2.46 3.46 4.51 0.00 -1.10 -5.04 105.19 109.91 1whk n GLY 34 Ca -0.02 -1.25 -0.35 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.72 0.11 -4.39 1.61 -0.02 -1.26 -3.14 135.00 127.19 1whk n PRO 35 Ca 0.00 0.08 -0.28 0.00 -2.02 0.00 0.00 63.50 61.28 1whk n PRO 35 Cb 0.00 -1.88 -0.06 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 -2.83 0.00 -0.07 3.45 -2.24 -1.23 -4.88 114.28 106.49 1whk n THR 36 Ca 0.09 -2.18 -0.12 0.00 -2.27 0.00 0.00 64.05 59.57 1whk n THR 36 Cb 0.51 0.50 -0.05 0.00 -2.10 0.00 0.00 70.33 69.19 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 -1.33 1.92 -0.21 3.42 2.03 -1.26 -4.65 116.55 116.47 1whk n ASP 37 Ca -0.17 0.06 -0.05 0.00 0.52 0.00 0.00 54.79 55.15 1whk n ASP 37 Cb 0.58 -0.30 0.11 0.00 -0.72 0.00 0.00 41.12 40.79 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 -0.26 1.06 -1.78 -0.67 -0.00 -1.99 -3.45 116.94 109.87 1whk h PHE 38 Ca -0.31 -0.11 -0.61 0.00 -0.00 0.00 0.00 57.97 56.95 1whk h PHE 38 Cb 1.36 -0.31 -0.13 0.00 -0.00 0.00 0.00 35.95 36.87 1whk h PHE 38 CO -0.02 0.86 -0.59 0.00 -0.00 0.00 0.00 178.31 178.56 1whk s ALA 39 N -5.32 3.10 -0.30 12.09 0.00 -1.26 -5.13 121.76 124.94 1whk s ALA 39 Ca -0.11 -2.11 -0.04 0.00 0.00 0.00 0.00 51.96 49.70 1whk s ALA 39 Cb 0.15 0.25 0.04 0.00 0.00 0.00 0.00 23.12 23.56 1whk s ALA 39 CO 0.83 -0.15 0.03 -1.54 0.00 0.00 0.00 175.76 174.93 1whk s SER 40 N -3.68 4.93 0.00 0.00 1.04 -1.26 -4.29 113.70 110.44 1whk s SER 40 Ca 0.33 -1.08 0.00 0.00 0.48 0.00 0.00 55.95 55.68 1whk s SER 40 Cb 0.09 -1.77 0.00 0.00 0.10 0.00 0.00 66.02 64.44 1whk s SER 40 CO 0.16 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.75 1whk n GLY 41 N 4.72 0.32 3.27 7.32 0.00 -1.26 -5.05 105.19 114.50 1whk n GLY 41 Ca -0.14 -1.60 -0.39 0.00 0.00 0.00 0.00 46.02 43.89 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 -2.82 4.03 0.47 -0.61 1.09 -1.26 -3.49 121.20 118.60 1whk s ILE 42 Ca 0.00 -1.31 0.07 0.00 -1.10 0.00 0.00 60.65 58.30 1whk s ILE 42 Cb 0.00 -3.40 -0.01 0.00 -1.06 0.00 0.00 42.46 37.99 1whk s ILE 42 CO 0.00 -0.38 0.31 0.26 -0.10 0.00 0.00 174.94 175.03 1whk s TRP 43 N 1.41 2.25 -0.09 3.97 0.52 -1.19 -4.29 118.94 121.53 1whk s TRP 43 Ca 0.02 -0.67 -0.01 0.00 0.02 0.00 0.00 56.10 55.47 1whk s TRP 43 Cb -0.21 -1.99 0.03 0.00 -1.15 0.00 0.00 33.47 30.14 1whk s TRP 43 CO 0.02 -0.14 -0.04 -0.51 0.02 0.00 0.00 176.95 176.29 1whk s LEU 44 N -4.11 0.98 -1.20 2.99 1.43 1.00 -2.71 118.68 117.06 1whk s LEU 44 Ca 0.39 -0.20 -0.21 0.00 -1.03 0.00 0.00 54.13 53.09 1whk s LEU 44 Cb -0.00 -0.64 -0.04 0.00 0.03 0.00 0.00 46.19 45.54 1whk s LEU 44 CO 0.23 -0.13 1.88 0.61 0.23 0.00 0.00 176.35 179.17 1whk n GLY 45 N 4.88 1.81 3.74 -3.19 0.00 -0.34 -3.29 105.19 108.79 1whk n GLY 45 Ca -0.12 -1.03 -0.29 0.00 0.00 0.00 0.00 46.02 44.58 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 7.62 1.78 -0.17 0.99 1.43 0.06 -1.82 118.68 128.58 1whk s LEU 46 Ca 0.62 0.94 -0.11 0.00 -1.03 0.00 0.00 54.13 54.55 1whk s LEU 46 Cb 0.03 -3.14 0.05 0.00 0.03 0.00 0.00 46.19 43.16 1whk s LEU 46 CO 0.11 -2.90 0.42 -0.70 0.23 0.00 0.00 176.35 173.51 1whk s GLU 47 N -5.24 0.43 0.45 1.70 -6.30 -0.70 -2.71 118.70 106.33 1whk s GLU 47 Ca 0.66 0.74 0.08 0.00 -2.50 0.00 0.00 54.97 53.94 1whk s GLU 47 Cb -0.15 0.05 0.01 0.00 0.00 0.00 0.00 34.13 34.04 1whk s GLU 47 CO 0.55 -0.13 0.47 -0.51 0.02 0.00 0.00 175.26 175.66 1whk s LEU 48 N 1.07 3.31 -0.36 2.70 1.43 -1.08 -2.92 118.68 122.83 1whk s LEU 48 Ca -0.07 -0.77 0.06 0.00 -1.03 0.00 0.00 54.13 52.33 1whk s LEU 48 Cb -0.07 -2.00 0.55 0.00 0.03 0.00 0.00 46.19 44.70 1whk s LEU 48 CO -0.09 -0.82 1.62 0.54 0.23 0.00 0.00 176.35 177.82 1whk n ARG 49 N -1.73 2.10 -3.73 1.70 1.74 -1.26 -4.72 116.66 110.75 1whk n ARG 49 Ca 0.05 -3.21 -0.02 0.00 -0.77 0.00 0.00 57.85 53.90 1whk n ARG 49 Cb 0.62 -1.98 -0.01 0.00 -1.02 0.00 0.00 32.46 30.07 1whk n ARG 49 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1whk s SER 50 N -2.21 -0.14 -1.00 0.55 1.04 -1.26 -5.09 113.70 105.59 1whk s SER 50 Ca 0.50 -0.36 -0.23 0.00 0.48 0.00 0.00 55.95 56.34 1whk s SER 50 Cb 0.44 0.42 0.05 0.00 0.10 0.00 0.00 66.02 67.03 1whk s SER 50 CO 0.03 -0.77 1.42 0.00 0.98 0.00 0.00 173.24 174.90 1whk s ALA 51 N -3.04 2.75 -0.19 5.32 0.00 -1.26 -4.41 121.76 120.92 1whk s ALA 51 Ca 0.13 -2.25 0.13 0.00 0.00 0.00 0.00 51.96 49.97 1whk s ALA 51 Cb -0.00 -4.49 0.32 0.00 0.00 0.00 0.00 23.12 18.95 1whk s ALA 51 CO 0.01 -3.57 1.28 1.63 0.00 0.00 0.00 175.76 175.11 1whk n LYS 52 N 8.78 0.90 -0.57 0.00 5.02 -1.00 -5.00 118.16 126.30 1whk n LYS 52 Ca 0.31 -1.64 0.00 0.00 -2.02 0.00 0.00 58.31 54.96 1whk n LYS 52 Cb 0.51 0.05 0.00 0.00 -0.02 0.00 0.00 35.03 35.56 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 -0.74 5.93 1.17 0.72 0.00 -1.12 -4.93 105.19 106.23 1whk n GLY 53 Ca -0.14 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.07 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 -2.70 1.61 4.01 -1.23 -4.70 118.16 115.15 1whk n LYS 54 Ca 0.00 0.00 -0.35 0.00 -0.51 0.00 0.00 58.31 57.45 1whk n LYS 54 Cb 0.00 -0.42 -0.06 0.00 -0.51 0.00 0.00 35.03 34.04 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 -5.10 6.90 -0.45 4.39 0.01 -1.25 -4.40 114.94 115.04 1whk s ASN 55 Ca 0.00 1.85 0.03 0.00 -0.71 0.00 0.00 52.86 54.03 1whk s ASN 55 Cb 0.00 -2.56 0.60 0.00 0.41 0.00 0.00 41.25 39.69 1whk s ASN 55 CO 0.00 -0.39 1.88 0.47 -1.51 0.00 0.00 177.10 177.56 1whk n ASP 56 N -0.24 4.25 0.00 -1.22 8.00 -1.26 -3.12 116.55 122.95 1whk n ASP 56 Ca 0.06 -3.53 0.00 0.00 0.71 0.00 0.00 54.79 52.03 1whk n ASP 56 Cb 0.52 -0.84 0.00 0.00 -0.02 0.00 0.00 41.12 40.77 1whk n ASP 56 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1whk n GLY 57 N -1.00 3.01 3.11 0.44 0.00 -1.26 -4.58 105.19 104.90 1whk n GLY 57 Ca 0.56 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.35 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 -2.94 1.26 -0.33 4.61 0.00 -1.26 -2.87 121.76 120.23 1whk s ALA 58 Ca 0.00 -0.60 0.03 0.00 0.00 0.00 0.00 51.96 51.39 1whk s ALA 58 Cb 0.00 -0.38 0.10 0.00 0.00 0.00 0.00 23.12 22.84 1whk s ALA 58 CO 0.00 0.27 0.06 0.08 0.00 0.00 0.00 175.76 176.17 1whk s VAL 59 N -0.13 1.95 0.00 0.00 1.01 0.11 -4.96 120.40 118.37 1whk s VAL 59 Ca 0.01 -2.11 0.00 0.00 0.00 0.00 0.00 61.98 59.88 1whk s VAL 59 Cb -0.08 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 33.86 1whk s VAL 59 CO 0.00 -0.61 0.00 0.61 0.00 0.00 0.00 175.10 175.10 1whk n GLY 60 N 4.39 1.93 1.42 4.51 0.00 -1.26 -3.43 105.19 112.76 1whk n GLY 60 Ca 0.02 -0.48 -0.09 0.00 0.00 0.00 0.00 46.02 45.48 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 8.37 2.74 -3.44 1.61 8.00 -1.26 -4.98 116.55 127.58 1whk n ASP 61 Ca 0.00 -3.76 -0.13 0.00 0.71 0.00 0.00 54.79 51.61 1whk n ASP 61 Cb 0.00 -0.69 -0.03 0.00 -0.02 0.00 0.00 41.12 40.38 1whk n ASP 61 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1whk s LYS 62 N -3.27 1.23 0.07 -1.24 2.20 -1.22 -5.17 119.74 112.33 1whk s LYS 62 Ca 0.48 -0.30 0.05 0.00 -0.36 0.00 0.00 55.97 55.84 1whk s LYS 62 Cb 0.43 0.57 -0.03 0.00 -1.51 0.00 0.00 37.83 37.29 1whk s LYS 62 CO 0.02 -0.50 -0.15 -0.98 -0.36 0.00 0.00 175.35 173.38 1whk s ARG 63 N -3.13 0.86 0.00 4.03 1.70 -1.26 0.04 118.95 121.18 1whk s ARG 63 Ca -0.02 -0.93 0.02 0.00 -0.47 0.00 0.00 55.73 54.33 1whk s ARG 63 Cb -0.01 -0.88 -0.01 0.00 -0.57 0.00 0.00 34.95 33.48 1whk s ARG 63 CO -0.07 0.20 0.27 0.66 -1.08 0.00 0.00 175.30 175.28 1whk n TYR 64 N 1.38 0.00 -3.60 5.89 4.02 -1.14 -4.98 117.16 118.73 1whk n TYR 64 Ca -0.21 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.64 1whk n TYR 64 Cb 0.54 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.85 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 -0.82 -0.19 -0.13 -0.72 -0.71 -1.19 -3.74 117.98 110.48 1whk s PHE 65 Ca 0.02 0.05 0.00 0.00 -1.04 0.00 0.00 56.93 55.96 1whk s PHE 65 Cb 0.02 0.55 -0.01 0.00 -1.21 0.00 0.00 43.02 42.37 1whk s PHE 65 CO 0.07 -0.45 -0.14 0.99 -1.34 0.00 0.00 175.22 174.35 1whk s THR 66 N -2.82 2.91 0.05 -4.49 2.01 -1.26 -4.38 115.64 107.66 1whk s THR 66 Ca 0.09 -0.71 -0.23 0.00 0.31 0.00 0.00 61.69 61.15 1whk s THR 66 Cb -0.00 -2.21 0.08 0.00 0.01 0.00 0.00 72.50 70.37 1whk s THR 66 CO -0.05 0.52 1.07 0.00 -0.69 0.00 0.00 174.62 175.48 1whk s LYS 68 N -2.02 2.03 -0.05 0.00 -0.14 -1.26 -4.63 119.74 113.66 1whk s LYS 68 Ca 0.25 0.38 -0.35 0.00 -1.36 0.00 0.00 55.97 54.89 1whk s LYS 68 Cb -0.01 -1.93 -0.13 0.00 -1.68 0.00 0.00 37.83 34.08 1whk s LYS 68 CO 0.01 -1.60 1.80 -2.30 -0.76 0.00 0.00 175.35 172.50 1whk n PRO 69 N -3.37 2.05 -3.01 -1.68 -0.02 -1.26 -2.71 135.00 124.99 1whk n PRO 69 Ca 0.07 0.75 -0.10 0.00 -2.02 0.00 0.00 63.50 62.20 1whk n PRO 69 Cb 0.58 -2.56 0.05 0.00 -0.02 0.00 0.00 33.50 31.55 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 5.80 -6.36 0.02 2.55 4.13 -1.18 -4.89 115.26 115.32 1whk n ASN 70 Ca 0.22 -0.50 0.00 0.00 1.68 0.00 0.00 54.58 55.98 1whk n ASN 70 Cb 0.28 -4.71 0.00 0.00 -1.54 0.00 0.00 39.78 33.80 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 -2.73 -0.16 -2.56 3.10 4.02 -1.10 -2.37 117.16 115.37 1whk n TYR 71 Ca -0.05 0.03 -0.24 0.00 -0.01 0.00 0.00 57.90 57.63 1whk n TYR 71 Cb 0.58 0.15 0.11 0.00 -0.02 0.00 0.00 39.34 40.16 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 -4.85 1.76 0.18 2.72 0.00 -1.25 -2.63 107.32 103.25 1whk s GLY 72 Ca 0.00 -1.71 -0.12 0.00 0.00 0.00 0.00 44.72 42.89 1whk s GLY 72 CO 0.00 -1.13 0.38 -1.34 0.00 0.00 0.00 173.10 171.01 1whk s VAL 73 N -3.18 0.04 -0.13 1.40 -7.23 -1.10 -3.58 120.40 106.63 1whk s VAL 73 Ca 0.67 -1.21 -0.00 0.00 -1.81 0.00 0.00 61.98 59.62 1whk s VAL 73 Cb -0.05 -1.82 0.03 0.00 0.56 0.00 0.00 36.38 35.10 1whk s VAL 73 CO 0.45 -0.20 -0.09 -0.76 -0.31 0.00 0.00 175.10 174.18 1whk s LEU 74 N -2.95 1.37 0.36 1.32 1.43 -1.26 -0.76 118.68 118.20 1whk s LEU 74 Ca 0.16 -0.39 0.07 0.00 -1.03 0.00 0.00 54.13 52.93 1whk s LEU 74 Cb 0.01 -0.95 -0.03 0.00 0.03 0.00 0.00 46.19 45.26 1whk s LEU 74 CO 0.00 -0.11 0.25 0.68 0.23 0.00 0.00 176.35 177.41 1whk s VAL 75 N 1.64 0.14 0.20 -1.59 -7.23 -1.21 -4.89 120.40 107.46 1whk s VAL 75 Ca 0.05 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.29 1whk s VAL 75 Cb -0.13 -2.43 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 1whk s VAL 75 CO -0.09 0.00 0.05 -0.13 -0.31 0.00 0.00 175.10 174.62 1whk s ARG 76 N -3.47 2.55 0.22 4.82 0.52 -1.26 -0.00 118.95 122.33 1whk s ARG 76 Ca 0.35 -1.11 -0.15 0.00 -0.52 0.00 0.00 55.73 54.31 1whk s ARG 76 Cb 0.02 -2.41 0.25 0.00 0.52 0.00 0.00 34.95 33.33 1whk s ARG 76 CO 0.25 0.44 1.60 -1.35 0.02 0.00 0.00 175.30 176.26 1whk h PRO 77 N 2.34 -0.04 -0.14 3.54 0.11 -1.83 1.82 132.00 137.80 1whk h PRO 77 Ca -0.47 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.68 1whk h PRO 77 Cb 1.22 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1whk h PRO 77 CO 0.60 -0.03 0.26 0.77 -0.21 0.00 0.00 178.00 179.39 1whk h SER 78 N -0.05 0.00 0.31 -2.05 0.02 -1.95 0.88 113.55 110.71 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 0.54 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1whk h SER 78 CO -0.74 0.00 -0.70 0.54 -1.14 0.00 0.00 176.83 174.79 1whk n ARG 79 N -3.38 0.01 -4.02 3.45 1.74 0.60 -4.85 116.66 110.21 1whk n ARG 79 Ca 0.01 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.87 1whk n ARG 79 Cb 0.36 -1.50 -0.17 0.00 -1.02 0.00 0.00 32.46 30.13 1whk n ARG 79 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1whk s VAL 80 N -3.00 0.60 -0.07 1.55 -7.23 0.30 -3.63 120.40 108.92 1whk s VAL 80 Ca 0.10 -0.09 0.02 0.00 -1.81 0.00 0.00 61.98 60.20 1whk s VAL 80 Cb 0.17 -0.66 0.02 0.00 0.56 0.00 0.00 36.38 36.47 1whk s VAL 80 CO 0.77 0.27 -0.11 -0.89 -0.31 0.00 0.00 175.10 174.82 1whk s THR 81 N 1.38 1.09 -0.51 5.32 2.01 -1.06 -4.65 115.64 119.22 1whk s THR 81 Ca -0.03 -0.43 0.12 0.00 0.31 0.00 0.00 61.69 61.66 1whk s THR 81 Cb -0.13 -1.02 0.35 0.00 0.01 0.00 0.00 72.50 71.71 1whk s THR 81 CO -0.03 0.35 1.28 0.00 -0.69 0.00 0.00 174.62 175.53 1whk n TYR 82 N 4.01 0.55 -1.43 4.92 4.11 -1.26 -2.39 117.16 125.66 1whk n TYR 82 Ca -0.21 -0.67 0.10 0.00 -0.00 0.00 0.00 57.90 57.12 1whk n TYR 82 Cb 0.51 -0.14 -0.03 0.00 -0.00 0.00 0.00 39.34 39.69 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 -0.09 -1.54 0.00 -3.48 1.74 -1.26 -4.98 116.66 107.04 1whk n ARG 83 Ca 0.14 1.01 0.00 0.00 -0.77 0.00 0.00 57.85 58.23 1whk n ARG 83 Cb 0.58 -1.88 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 1whk n ARG 83 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1whk n GLY 84 N -2.37 3.46 1.83 -0.13 0.00 -1.26 -5.14 105.19 101.57 1whk n GLY 84 Ca 0.01 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1whk n GLY 84 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1whk n ILE 85 N -1.10-10.76 -1.43 -0.61 5.41 -1.26 -4.94 119.36 104.67 1whk n ILE 85 Ca 0.00 2.89 0.19 0.00 1.00 0.00 0.00 62.75 66.83 1whk n ILE 85 Cb 0.00 -4.72 -0.05 0.00 -0.71 0.00 0.00 39.64 34.16 1whk n ILE 85 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1whk n SER 86 N 1.40 -8.54 -2.46 4.38 7.64 -1.26 -4.92 113.62 109.87 1whk n SER 86 Ca 0.00 0.70 -0.05 0.00 1.01 0.00 0.00 58.87 60.53 1whk n SER 86 Cb 0.00 -4.42 0.03 0.00 -1.01 0.00 0.00 64.21 58.81 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 -4.24 -0.01 3.53 0.23 0.00 -1.26 -4.90 105.19 98.54 1whk n GLY 87 Ca -0.00 -1.86 -0.31 0.00 0.00 0.00 0.00 46.02 43.85 1whk n GLY 87 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1whk n PRO 88 N -1.44 0.54 -0.05 1.61 -0.02 -1.26 -4.67 135.00 129.71 1whk n PRO 88 Ca 0.03 -0.18 -0.06 0.00 -2.02 0.00 0.00 63.50 61.28 1whk n PRO 88 Cb 0.12 -2.69 -0.08 0.00 -0.02 0.00 0.00 33.50 30.83 1whk n PRO 88 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1whk n SER 89 N 13.81 2.59 -4.12 2.55 3.41 -1.26 -5.06 113.62 125.53 1whk n SER 89 Ca 0.50 -0.02 -0.25 0.00 -0.26 0.00 0.00 58.87 58.85 1whk n SER 89 Cb 0.34 0.53 -0.08 0.00 -0.26 0.00 0.00 64.21 64.73 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 -4.50 2.69 0.00 4.04 0.01 -1.26 -5.29 113.70 109.39 1whk s SER 90 Ca -0.08 -1.65 0.00 0.00 1.31 0.00 0.00 55.95 55.53 1whk s SER 90 Cb 0.03 0.46 0.00 0.00 0.21 0.00 0.00 66.02 66.73 1whk s SER 90 CO 0.39 -0.91 0.00 0.61 0.41 0.00 0.00 173.24 173.74