#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whm s SER 2 N 0.00 2.67 -0.21 1.61 0.01 -1.26 -5.04 113.70 111.47 1whm s SER 2 Ca 0.00 -0.51 -0.05 0.00 1.31 0.00 0.00 55.95 56.70 1whm s SER 2 Cb 0.00 -0.24 -0.19 0.00 0.21 0.00 0.00 66.02 65.79 1whm s SER 2 CO 0.00 0.21 -0.02 -1.54 0.41 0.00 0.00 173.24 172.30 1whm n SER 3 N 2.00 2.02 -0.85 2.44 3.41 -1.26 -5.06 113.62 116.31 1whm n SER 3 Ca -0.17 0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 1whm n SER 3 Cb 0.53 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 1whm n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1whm n GLY 4 N 1.97 3.59 3.28 5.00 0.00 -1.26 -5.18 105.19 112.59 1whm n GLY 4 Ca -0.41 -1.43 -0.12 0.00 0.00 0.00 0.00 46.02 44.05 1whm n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1whm s SER 5 N -0.65 -0.43 0.00 1.61 0.01 -1.26 -5.09 113.70 107.90 1whm s SER 5 Ca 0.00 0.81 -0.02 0.00 1.31 0.00 0.00 55.95 58.05 1whm s SER 5 Cb 0.00 0.79 -0.01 0.00 0.21 0.00 0.00 66.02 67.01 1whm s SER 5 CO 0.00 -0.15 -0.03 -0.24 0.41 0.00 0.00 173.24 173.23 1whm n SER 6 N 3.21 0.39 -2.59 2.44 2.88 -1.26 -5.09 113.62 113.59 1whm n SER 6 Ca -0.16 0.06 -0.02 0.00 -1.33 0.00 0.00 58.87 57.42 1whm n SER 6 Cb 0.57 -0.26 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 1whm n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1whm n GLY 7 N 2.78 -1.03 3.36 0.46 0.00 -1.26 -4.98 105.19 104.53 1whm n GLY 7 Ca -0.01 0.45 -0.33 0.00 0.00 0.00 0.00 46.02 46.13 1whm n GLY 7 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1whm n PRO 8 N -1.23 -0.77 0.24 1.61 -0.02 -1.26 -4.94 135.00 128.63 1whm n PRO 8 Ca 0.02 -0.19 -0.15 0.00 -2.02 0.00 0.00 63.50 61.16 1whm n PRO 8 Cb 0.45 -1.79 -0.08 0.00 -0.02 0.00 0.00 33.50 32.07 1whm n PRO 8 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1whm h PRO 9 N -1.74 -0.57 -6.73 0.52 0.13 -1.94 -3.43 132.00 118.24 1whm h PRO 9 Ca -0.47 0.04 -0.51 0.00 -0.87 0.00 0.00 66.00 64.18 1whm h PRO 9 Cb 1.31 0.13 0.02 0.00 0.13 0.00 0.00 31.00 32.59 1whm h PRO 9 CO 0.36 -0.30 0.51 -1.17 -0.23 0.00 0.00 178.00 177.16 1whm s LEU 10 N -9.82 4.50 0.05 1.56 2.96 -1.26 -4.96 118.68 111.71 1whm s LEU 10 Ca -0.15 2.24 -0.30 0.00 -0.22 0.00 0.00 54.13 55.69 1whm s LEU 10 Cb 0.03 -3.62 -0.08 0.00 0.50 0.00 0.00 46.19 43.02 1whm s LEU 10 CO 0.58 -0.24 1.80 -0.70 -1.32 0.00 0.00 176.35 176.47 1whm s GLU 11 N -0.87 4.16 0.40 1.98 -6.30 -1.26 -4.97 118.70 111.85 1whm s GLU 11 Ca 0.48 2.46 -0.23 0.00 -2.50 0.00 0.00 54.97 55.18 1whm s GLU 11 Cb -0.32 -3.85 -0.09 0.00 0.00 0.00 0.00 34.13 29.87 1whm s GLU 11 CO 0.39 -0.85 1.02 0.42 0.02 0.00 0.00 175.26 176.25 1whm s ILE 12 N 3.50 3.91 -1.76 -3.70 -1.09 -1.26 -3.40 121.20 117.40 1whm s ILE 12 Ca 0.80 1.40 0.00 0.00 -2.23 0.00 0.00 60.65 60.63 1whm s ILE 12 Cb -0.41 -3.70 0.00 0.00 -1.58 0.00 0.00 42.46 36.77 1whm s ILE 12 CO 0.36 -0.05 0.00 0.59 -1.23 0.00 0.00 174.94 174.61 1whm n ASN 13 N -0.15 -5.71 -4.77 3.58 4.13 0.19 -4.95 115.26 107.58 1whm n ASN 13 Ca 0.05 0.03 -0.23 0.00 1.68 0.00 0.00 54.58 56.11 1whm n ASN 13 Cb 0.51 -4.76 -0.06 0.00 -1.54 0.00 0.00 39.78 33.93 1whm n ASN 13 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1whm s SER 14 N -2.16 4.70 -0.26 6.41 0.01 -1.22 -4.81 113.70 116.38 1whm s SER 14 Ca 0.00 -0.86 -0.15 0.00 1.31 0.00 0.00 55.95 56.25 1whm s SER 14 Cb 0.00 -0.62 -0.04 0.00 0.21 0.00 0.00 66.02 65.58 1whm s SER 14 CO 0.00 -0.46 0.37 -0.13 0.41 0.00 0.00 173.24 173.43 1whm s ARG 15 N -3.93 4.04 -0.03 12.44 1.81 -1.26 0.33 118.95 132.35 1whm s ARG 15 Ca 0.41 0.06 -0.08 0.00 -1.72 0.00 0.00 55.73 54.41 1whm s ARG 15 Cb -0.01 -3.64 0.01 0.00 -0.45 0.00 0.00 34.95 30.87 1whm s ARG 15 CO 0.24 -0.23 0.17 0.14 -0.68 0.00 0.00 175.30 174.94 1whm s VAL 16 N 1.94 0.05 0.59 3.52 -7.23 0.18 -4.15 120.40 115.30 1whm s VAL 16 Ca 0.15 -0.41 0.02 0.00 -1.81 0.00 0.00 61.98 59.94 1whm s VAL 16 Cb -0.16 -0.38 0.06 0.00 0.56 0.00 0.00 36.38 36.46 1whm s VAL 16 CO 0.09 -0.22 0.83 -0.44 -0.31 0.00 0.00 175.10 175.05 1whm s SER 17 N -0.80 5.01 -0.01 4.85 0.01 0.13 0.11 113.70 122.99 1whm s SER 17 Ca -0.09 -0.22 0.00 0.00 1.31 0.00 0.00 55.95 56.96 1whm s SER 17 Cb -0.05 -0.50 0.01 0.00 0.21 0.00 0.00 66.02 65.69 1whm s SER 17 CO 0.01 -1.35 -0.00 -0.76 0.41 0.00 0.00 173.24 171.55 1whm s LEU 18 N -4.84 1.54 -0.92 2.44 1.43 0.06 0.74 118.68 119.13 1whm s LEU 18 Ca 0.60 -0.01 -0.23 0.00 -1.03 0.00 0.00 54.13 53.46 1whm s LEU 18 Cb -0.08 -0.12 0.07 0.00 0.03 0.00 0.00 46.19 46.08 1whm s LEU 18 CO 0.40 -0.05 1.31 -0.75 0.23 0.00 0.00 176.35 177.49 1whm s LYS 19 N 0.53 3.48 -0.33 1.70 2.20 -0.31 -1.14 119.74 125.88 1whm s LYS 19 Ca -0.05 -1.08 -0.13 0.00 -0.36 0.00 0.00 55.97 54.35 1whm s LYS 19 Cb -0.07 -4.97 -0.02 0.00 -1.51 0.00 0.00 37.83 31.26 1whm s LYS 19 CO -0.01 -2.07 0.24 0.14 -0.36 0.00 0.00 175.35 173.28 1whm s VAL 20 N 4.54 5.28 0.00 4.02 -7.23 0.37 -4.91 120.40 122.47 1whm s VAL 20 Ca 0.39 -0.13 0.00 0.00 -1.81 0.00 0.00 61.98 60.43 1whm s VAL 20 Cb -0.04 -3.69 0.00 0.00 0.56 0.00 0.00 36.38 33.21 1whm s VAL 20 CO -0.04 0.03 0.00 0.61 -0.31 0.00 0.00 175.10 175.39 1whm n GLY 21 N 5.09 0.77 1.08 2.32 0.00 -1.26 -1.49 105.19 111.70 1whm n GLY 21 Ca -0.13 0.49 0.02 0.00 0.00 0.00 0.00 46.02 46.41 1whm n GLY 21 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1whm n GLU 22 N 0.00 1.32 -3.96 1.61 1.02 -1.26 -5.06 120.64 114.31 1whm n GLU 22 Ca 0.00 -3.02 -0.11 0.00 -0.02 0.00 0.00 57.16 54.01 1whm n GLU 22 Cb 0.00 -1.21 -0.02 0.00 -0.02 0.00 0.00 31.44 30.19 1whm n GLU 22 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1whm s THR 23 N -2.45 0.00 0.24 2.62 -1.32 -0.55 -5.18 115.64 108.99 1whm s THR 23 Ca 0.38 -1.31 0.11 0.00 -1.21 0.00 0.00 61.69 59.65 1whm s THR 23 Cb 0.38 -2.57 -0.05 0.00 -1.51 0.00 0.00 72.50 68.75 1whm s THR 23 CO -0.09 0.00 -0.17 -0.63 -2.21 0.00 0.00 174.62 171.53 1whm s ILE 24 N -3.09 2.69 -0.17 5.08 -1.09 -1.26 -0.48 121.20 122.89 1whm s ILE 24 Ca 0.22 -2.12 -0.04 0.00 -2.23 0.00 0.00 60.65 56.48 1whm s ILE 24 Cb -0.02 -2.38 0.08 0.00 -1.58 0.00 0.00 42.46 38.56 1whm s ILE 24 CO 0.14 -0.28 0.19 -1.61 -1.23 0.00 0.00 174.94 172.15 1whm s GLU 25 N -3.21 0.13 0.34 2.79 0.41 -0.29 -4.89 118.70 113.98 1whm s GLU 25 Ca 0.27 0.27 -0.29 0.00 -0.41 0.00 0.00 54.97 54.81 1whm s GLU 25 Cb -0.07 -1.04 -0.10 0.00 -1.78 0.00 0.00 34.13 31.14 1whm s GLU 25 CO 0.14 -0.56 1.37 -1.12 -0.49 0.00 0.00 175.26 174.60 1whm s SER 26 N 2.29 6.64 0.11 -0.19 0.01 -1.26 -0.76 113.70 120.55 1whm s SER 26 Ca 0.05 2.79 -0.02 0.00 1.31 0.00 0.00 55.95 60.08 1whm s SER 26 Cb -0.15 -2.65 0.01 0.00 0.21 0.00 0.00 66.02 63.44 1whm s SER 26 CO -0.10 -0.64 0.19 0.61 0.41 0.00 0.00 173.24 173.71 1whm n GLY 27 N 0.79 2.31 3.41 3.44 0.00 0.30 -4.00 105.19 111.44 1whm n GLY 27 Ca 0.01 -1.29 -0.29 0.00 0.00 0.00 0.00 46.02 44.45 1whm n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1whm s THR 28 N -2.63 2.43 0.07 2.61 2.01 -0.71 0.50 115.64 119.92 1whm s THR 28 Ca 0.07 -1.61 -0.20 0.00 0.31 0.00 0.00 61.69 60.26 1whm s THR 28 Cb -0.01 -2.07 -0.07 0.00 0.01 0.00 0.00 72.50 70.36 1whm s THR 28 CO 0.05 0.14 0.57 -0.69 -0.69 0.00 0.00 174.62 174.01 1whm s VAL 29 N -1.04 4.75 0.00 3.82 1.01 0.15 0.11 120.40 129.19 1whm s VAL 29 Ca 0.15 1.23 0.00 0.00 0.00 0.00 0.00 61.98 63.35 1whm s VAL 29 Cb -0.10 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.37 1whm s VAL 29 CO 0.07 0.54 0.00 2.30 0.00 0.00 0.00 175.10 178.01 1whm n ILE 30 N 1.81 0.00 -4.74 2.22 -5.35 -1.15 -0.63 119.36 111.51 1whm n ILE 30 Ca -0.10 0.00 -0.27 0.00 -0.27 0.00 0.00 62.75 62.11 1whm n ILE 30 Cb 0.51 -0.17 -0.14 0.00 -1.74 0.00 0.00 39.64 38.09 1whm n ILE 30 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 1whm s PHE 31 N -1.33 2.02 -0.31 4.28 5.36 -1.23 -4.84 117.98 121.94 1whm s PHE 31 Ca 0.00 -0.39 0.05 0.00 -0.96 0.00 0.00 56.93 55.63 1whm s PHE 31 Cb 0.00 -1.21 0.18 0.00 -0.34 0.00 0.00 43.02 41.66 1whm s PHE 31 CO 0.00 0.11 0.53 0.00 -1.46 0.00 0.00 175.22 174.40 1whm s ASP 33 N 2.58 -0.30 1.08 0.00 1.01 -0.90 -4.75 116.67 115.39 1whm s ASP 33 Ca 0.11 0.06 -0.12 0.00 0.71 0.00 0.00 52.55 53.31 1whm s ASP 33 Cb -0.10 0.30 0.22 0.00 1.01 0.00 0.00 42.92 44.36 1whm s ASP 33 CO -0.24 -0.47 0.99 1.33 0.21 0.00 0.00 175.17 176.98 1whm n VAL 34 N -0.04 0.00 -4.03 -1.27 0.24 -1.26 -2.90 118.33 109.07 1whm n VAL 34 Ca -0.06 -0.28 -0.34 0.00 -2.04 0.00 0.00 64.34 61.62 1whm n VAL 34 Cb 0.60 -0.96 -0.06 0.00 -1.47 0.00 0.00 33.84 31.95 1whm n VAL 34 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1whm s LEU 35 N -6.49 4.09 -0.16 1.34 1.43 -1.26 -4.80 118.68 112.82 1whm s LEU 35 Ca 0.67 0.24 -0.37 0.00 -1.03 0.00 0.00 54.13 53.64 1whm s LEU 35 Cb -0.24 -2.34 -0.14 0.00 0.03 0.00 0.00 46.19 43.50 1whm s LEU 35 CO 0.63 0.29 1.79 -2.65 0.23 0.00 0.00 176.35 176.64 1whm n PRO 36 N 1.22 1.67 -2.07 1.29 -0.02 -1.26 -0.30 135.00 135.52 1whm n PRO 36 Ca -0.13 0.61 -0.18 0.00 -2.02 0.00 0.00 63.50 61.78 1whm n PRO 36 Cb 0.53 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.61 1whm n PRO 36 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1whm n GLY 37 N 4.21 0.32 1.48 -1.23 0.00 -1.26 -4.85 105.19 103.86 1whm n GLY 37 Ca 0.24 -0.14 0.04 0.00 0.00 0.00 0.00 46.02 46.15 1whm n GLY 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1whm n LYS 38 N -2.64 0.00 0.18 1.61 5.02 0.58 -4.87 118.16 118.04 1whm n LYS 38 Ca -0.20 -1.96 0.04 0.00 -2.02 0.00 0.00 58.31 54.17 1whm n LYS 38 Cb 0.64 0.02 0.43 0.00 -0.02 0.00 0.00 35.03 36.10 1whm n LYS 38 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1whm h GLU 39 N 0.96 0.09 -0.20 1.97 5.08 -1.83 -2.30 114.58 118.35 1whm h GLU 39 Ca -0.24 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.05 1whm h GLU 39 Cb 1.88 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 31.10 1whm h GLU 39 CO 0.08 0.29 -0.07 1.03 -1.00 0.00 0.00 179.01 179.34 1whm h SER 40 N 0.09 0.28 0.19 1.42 0.87 -1.92 -2.98 113.55 111.49 1whm h SER 40 Ca 0.02 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 1whm h SER 40 Cb 0.41 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 1whm h SER 40 CO 0.03 0.40 -0.09 -0.07 -0.53 0.00 0.00 176.83 176.56 1whm h LEU 41 N 0.29 -0.22 0.00 2.23 3.38 -1.80 -3.49 115.31 115.70 1whm h LEU 41 Ca 0.06 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1whm h LEU 41 Cb 0.32 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1whm h LEU 41 CO 0.02 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.16 1whm n GLY 42 N -0.72 -0.19 2.87 0.83 0.00 -1.13 -5.05 105.19 101.80 1whm n GLY 42 Ca -0.09 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 44.98 1whm n GLY 42 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1whm s TYR 43 N -3.35 2.75 0.88 1.61 1.51 -1.26 -4.49 117.35 115.01 1whm s TYR 43 Ca 0.00 -2.55 -0.10 0.00 -1.01 0.00 0.00 57.07 53.41 1whm s TYR 43 Cb 0.00 -2.37 0.13 0.00 -0.11 0.00 0.00 41.96 39.61 1whm s TYR 43 CO 0.00 -0.87 1.13 -0.06 -1.11 0.00 0.00 175.55 174.64 1whm s PHE 44 N 0.85 1.89 -0.15 2.71 0.40 -1.14 -3.50 117.98 119.04 1whm s PHE 44 Ca 0.13 1.70 -0.14 0.00 -0.60 0.00 0.00 56.93 58.02 1whm s PHE 44 Cb -0.20 -3.25 0.04 0.00 0.51 0.00 0.00 43.02 40.12 1whm s PHE 44 CO -0.11 -2.55 0.40 0.08 0.70 0.00 0.00 175.22 173.74 1whm s VAL 45 N -2.72 -0.00 -0.31 -0.44 1.01 0.25 -2.12 120.40 116.07 1whm s VAL 45 Ca 0.65 0.01 -0.10 0.00 0.00 0.00 0.00 61.98 62.53 1whm s VAL 45 Cb -0.21 -0.56 -0.02 0.00 0.00 0.00 0.00 36.38 35.59 1whm s VAL 45 CO 0.58 0.00 0.17 -0.83 0.00 0.00 0.00 175.10 175.02 1whm s GLY 46 N 0.28 1.89 -0.29 4.51 0.00 -0.82 0.14 107.32 113.03 1whm s GLY 46 Ca -0.01 -1.34 -0.10 0.00 0.00 0.00 0.00 44.72 43.27 1whm s GLY 46 CO -0.00 0.70 0.17 0.14 0.00 0.00 0.00 173.10 174.10 1whm s VAL 47 N 1.65 4.91 -0.93 1.40 1.01 -0.86 -2.92 120.40 124.66 1whm s VAL 47 Ca 0.05 -0.14 -0.24 0.00 0.00 0.00 0.00 61.98 61.65 1whm s VAL 47 Cb -0.17 -3.42 0.04 0.00 0.00 0.00 0.00 36.38 32.84 1whm s VAL 47 CO 0.08 0.16 1.41 -0.62 0.00 0.00 0.00 175.10 176.12 1whm s ASP 48 N 1.68 6.36 0.70 3.32 2.15 0.29 -1.71 116.67 129.46 1whm s ASP 48 Ca 0.06 -1.11 -0.17 0.00 0.43 0.00 0.00 52.55 51.77 1whm s ASP 48 Cb -0.16 -2.57 0.01 0.00 -0.30 0.00 0.00 42.92 39.90 1whm s ASP 48 CO 0.08 -1.64 1.19 0.23 -0.17 0.00 0.00 175.17 174.86 1whm n MET 49 N 9.05 0.77 0.11 4.34 2.81 -1.12 -1.74 117.12 131.34 1whm n MET 49 Ca 0.23 0.32 -0.01 0.00 -1.81 0.00 0.00 57.70 56.44 1whm n MET 49 Cb 0.50 -2.43 0.25 0.00 -0.71 0.00 0.00 33.22 30.84 1whm n MET 49 CO 0.00 0.00 0.00 0.38 1.51 0.00 0.00 175.97 177.86 1whm h ASP 50 N 0.04 0.20 -2.85 7.83 3.04 -1.92 -3.44 116.42 119.31 1whm h ASP 50 Ca -0.49 -0.08 -0.59 0.00 -3.24 0.00 0.00 57.03 52.63 1whm h ASP 50 Cb 1.33 -0.06 -0.08 0.00 -1.04 0.00 0.00 39.33 39.49 1whm h ASP 50 CO 0.50 0.58 -0.58 0.20 -2.04 0.00 0.00 179.24 177.90 1whm s ASN 51 N -6.88 5.47 -1.08 4.15 0.01 -1.26 -5.02 114.94 110.31 1whm s ASN 51 Ca -0.04 -0.12 -0.23 0.00 -0.71 0.00 0.00 52.86 51.76 1whm s ASN 51 Cb 0.14 -1.42 -0.08 0.00 0.41 0.00 0.00 41.25 40.30 1whm s ASN 51 CO 0.76 0.10 1.95 -2.16 -1.51 0.00 0.00 177.10 176.24 1whm s PRO 52 N -2.90 2.46 0.00 -0.60 0.04 -1.26 -4.51 135.00 128.23 1whm s PRO 52 Ca 0.30 -0.83 0.22 0.00 0.04 0.00 0.00 61.00 60.73 1whm s PRO 52 Cb -0.11 -5.17 0.36 0.00 0.04 0.00 0.00 34.50 29.63 1whm s PRO 52 CO 0.23 -3.84 1.14 0.44 0.04 0.00 0.00 177.00 175.01 1whm n ILE 53 N 7.88 0.00 -2.07 0.56 -5.35 -1.25 -4.88 119.36 114.24 1whm n ILE 53 Ca 0.43 -0.84 0.00 0.00 -0.27 0.00 0.00 62.75 62.07 1whm n ILE 53 Cb 0.47 0.92 0.00 0.00 -1.74 0.00 0.00 39.64 39.29 1whm n ILE 53 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1whm n GLY 54 N 0.42 0.84 1.65 3.28 0.00 -1.25 -4.78 105.19 105.35 1whm n GLY 54 Ca 0.04 -1.95 -0.00 0.00 0.00 0.00 0.00 46.02 44.11 1whm n GLY 54 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1whm n ASN 55 N -2.40 -0.28 -3.56 1.61 6.94 -1.19 -4.52 115.26 111.86 1whm n ASN 55 Ca 0.00 -1.18 -0.15 0.00 -0.02 0.00 0.00 54.58 53.23 1whm n ASN 55 Cb 0.00 0.13 -0.12 0.00 -2.36 0.00 0.00 39.78 37.42 1whm n ASN 55 CO 0.00 0.00 0.00 0.86 -1.03 0.00 0.00 177.26 177.09 1whm s TRP 56 N 0.02 -0.41 0.18 -2.53 -0.00 -1.22 -4.98 118.94 110.01 1whm s TRP 56 Ca 0.02 0.65 -0.01 0.00 -0.00 0.00 0.00 56.10 56.76 1whm s TRP 56 Cb 0.08 -0.16 0.07 0.00 -0.00 0.00 0.00 33.47 33.46 1whm s TRP 56 CO -0.02 -0.49 1.45 0.22 -0.00 0.00 0.00 176.95 178.10 1whm h ASP 57 N 8.29 0.48 0.00 5.86 1.82 -1.89 -3.05 116.42 127.93 1whm h ASP 57 Ca -0.16 -0.31 0.00 0.00 -0.39 0.00 0.00 57.03 56.17 1whm h ASP 57 Cb 1.13 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 41.00 1whm h ASP 57 CO 0.21 1.04 0.00 0.61 -1.61 0.00 0.00 179.24 179.49 1whm n GLY 58 N 0.52 1.13 3.16 -0.78 0.00 -1.26 -3.56 105.19 104.40 1whm n GLY 58 Ca -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 1whm n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1whm s ARG 59 N 0.00 0.85 -0.27 1.61 0.52 -1.26 -0.07 118.95 120.33 1whm s ARG 59 Ca 0.00 -1.37 -0.03 0.00 -0.52 0.00 0.00 55.73 53.81 1whm s ARG 59 Cb 0.00 -0.01 0.09 0.00 0.52 0.00 0.00 34.95 35.55 1whm s ARG 59 CO 0.00 -0.12 0.11 0.12 0.02 0.00 0.00 175.30 175.43 1whm s PHE 60 N -3.80 0.65 -1.59 -0.53 5.36 0.16 -4.83 117.98 113.40 1whm s PHE 60 Ca 0.16 -0.98 0.00 0.00 -0.96 0.00 0.00 56.93 55.14 1whm s PHE 60 Cb 0.07 -1.05 0.00 0.00 -0.34 0.00 0.00 43.02 41.69 1whm s PHE 60 CO -0.03 -0.78 0.00 -3.47 -1.46 0.00 0.00 175.22 169.48 1whm n ASP 61 N 5.15 -5.22 0.00 6.13 -0.08 -1.26 -2.80 116.55 118.47 1whm n ASP 61 Ca -0.06 0.05 0.00 0.00 -1.51 0.00 0.00 54.79 53.27 1whm n ASP 61 Cb 0.43 -4.30 0.00 0.00 2.34 0.00 0.00 41.12 39.59 1whm n ASP 61 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1whm n GLY 62 N -0.98 3.30 3.76 0.27 0.00 -1.26 -5.07 105.19 105.21 1whm n GLY 62 Ca -0.21 -0.92 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 1whm n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1whm s VAL 63 N -0.01 2.29 -0.23 1.61 0.11 -1.12 -4.97 120.40 118.08 1whm s VAL 63 Ca 0.00 0.26 -0.21 0.00 -2.93 0.00 0.00 61.98 59.10 1whm s VAL 63 Cb 0.00 -3.17 -0.02 0.00 -1.53 0.00 0.00 36.38 31.66 1whm s VAL 63 CO 0.00 0.05 0.65 -1.58 -3.33 0.00 0.00 175.10 170.89 1whm s GLN 64 N -1.13 4.16 -0.25 1.54 2.00 -1.26 0.39 119.66 125.11 1whm s GLN 64 Ca 0.57 0.62 -0.01 0.00 -2.00 0.00 0.00 55.36 54.54 1whm s GLN 64 Cb -0.45 -3.62 -0.16 0.00 0.80 0.00 0.00 33.01 29.59 1whm s GLN 64 CO 0.52 -0.35 -0.24 1.28 -0.50 0.00 0.00 175.29 176.00 1whm n LEU 65 N 5.46 2.80 -3.82 3.68 4.77 0.90 -4.93 117.00 125.87 1whm n LEU 65 Ca -0.00 -0.06 -0.27 0.00 -0.03 0.00 0.00 56.01 55.65 1whm n LEU 65 Cb 0.49 -0.86 -0.17 0.00 -2.33 0.00 0.00 43.42 40.56 1whm n LEU 65 CO 0.44 0.86 -0.40 0.00 -1.33 0.00 0.00 177.39 176.96 1whm h SER 67 N 8.19 0.58 0.37 0.00 0.02 -1.86 -3.29 113.55 117.57 1whm h SER 67 Ca -0.21 -0.70 -0.03 0.00 -0.84 0.00 0.00 61.79 60.01 1whm h SER 67 Cb 1.12 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 63.46 1whm h SER 67 CO 0.35 1.57 -0.14 -0.26 -1.14 0.00 0.00 176.83 177.21 1whm h PHE 68 N 0.10 0.00 -4.26 3.45 0.04 -1.95 -3.44 116.94 110.89 1whm h PHE 68 Ca -0.24 0.00 -0.52 0.00 2.80 0.00 0.00 57.97 60.01 1whm h PHE 68 Cb 2.07 0.00 0.15 0.00 2.20 0.00 0.00 35.95 40.37 1whm h PHE 68 CO 0.09 0.14 0.32 0.00 -0.60 0.00 0.00 178.31 178.25 1whm s ALA 69 N -4.22 2.08 0.03 2.45 0.00 -1.24 -5.06 121.76 115.80 1whm s ALA 69 Ca -0.03 0.49 -0.01 0.00 0.00 0.00 0.00 51.96 52.41 1whm s ALA 69 Cb 0.13 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.87 1whm s ALA 69 CO 0.60 -1.94 -0.02 0.00 0.00 0.00 0.00 175.76 174.40 1whm n VAL 71 N 0.92 3.73 -1.96 0.00 3.14 -1.15 -3.38 118.33 119.62 1whm n VAL 71 Ca -0.19 -3.07 -0.03 0.00 -2.96 0.00 0.00 64.34 58.08 1whm n VAL 71 Cb 0.58 -1.79 -0.01 0.00 -1.06 0.00 0.00 33.84 31.55 1whm n VAL 71 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 1whm n GLU 72 N 1.37 0.17 0.00 1.45 0.28 -1.26 -4.56 120.64 118.10 1whm n GLU 72 Ca 0.52 -0.59 0.00 0.00 -0.16 0.00 0.00 57.16 56.93 1whm n GLU 72 Cb 0.52 0.44 0.00 0.00 1.43 0.00 0.00 31.44 33.84 1whm n GLU 72 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1whm n SER 73 N -0.20 0.00 -4.78 -1.84 7.64 -1.25 -3.91 113.62 109.29 1whm n SER 73 Ca -0.15 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.32 1whm n SER 73 Cb 0.55 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.75 1whm n SER 73 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1whm s THR 74 N 0.00 2.20 -0.15 0.44 2.01 -1.22 -2.80 115.64 116.12 1whm s THR 74 Ca 0.00 0.20 -0.03 0.00 0.31 0.00 0.00 61.69 62.17 1whm s THR 74 Cb 0.00 -3.12 0.05 0.00 0.01 0.00 0.00 72.50 69.44 1whm s THR 74 CO 0.00 0.05 0.04 -0.63 -0.69 0.00 0.00 174.62 173.39 1whm s ILE 75 N -1.05 0.32 -0.42 1.82 1.01 -0.69 -3.19 121.20 119.00 1whm s ILE 75 Ca 0.53 -0.25 -0.29 0.00 0.00 0.00 0.00 60.65 60.64 1whm s ILE 75 Cb -0.45 -0.76 0.02 0.00 0.01 0.00 0.00 42.46 41.27 1whm s ILE 75 CO 0.60 -0.09 1.27 -0.22 0.00 0.00 0.00 174.94 176.50 1whm s LEU 76 N 1.96 3.67 0.00 2.97 2.96 -1.25 -2.03 118.68 126.96 1whm s LEU 76 Ca 0.01 0.76 0.07 0.00 -0.22 0.00 0.00 54.13 54.75 1whm s LEU 76 Cb -0.15 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.97 1whm s LEU 76 CO -0.07 -1.28 0.26 0.18 -1.32 0.00 0.00 176.35 174.12 1whm n LEU 77 N 8.16 0.00 -4.76 -0.68 4.77 0.12 -4.85 117.00 119.77 1whm n LEU 77 Ca 0.14 -3.26 -0.40 0.00 -0.03 0.00 0.00 56.01 52.47 1whm n LEU 77 Cb 0.48 1.59 -0.06 0.00 -2.33 0.00 0.00 43.42 43.10 1whm n LEU 77 CO 0.69 -0.53 0.62 -2.28 -1.33 0.00 0.00 177.39 174.55 1whm s HIS 78 N -3.34 3.96 0.28 -1.77 2.46 -1.26 0.87 115.29 116.48 1whm s HIS 78 Ca 0.37 1.86 0.02 0.00 0.47 0.00 0.00 55.06 57.78 1whm s HIS 78 Cb 0.02 -2.93 0.68 0.00 -0.13 0.00 0.00 32.58 30.21 1whm s HIS 78 CO 0.26 0.46 1.71 0.97 -2.47 0.00 0.00 174.74 175.67 1whm h ILE 79 N 3.16 0.52 -0.23 0.89 2.10 -1.89 0.65 117.51 122.72 1whm h ILE 79 Ca -0.45 -0.15 0.07 0.00 1.08 0.00 0.00 64.86 65.40 1whm h ILE 79 Cb 1.20 0.05 -0.01 0.00 -1.09 0.00 0.00 36.82 36.97 1whm h ILE 79 CO 0.67 0.08 0.19 -1.13 -1.08 0.00 0.00 178.15 176.88 1whm h ASN 80 N 0.43 0.00 1.65 2.19 -0.73 -1.92 0.23 115.58 117.44 1whm h ASN 80 Ca 0.53 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.68 1whm h ASN 80 Cb 0.97 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.55 1whm h ASN 80 CO -0.50 0.00 -0.14 0.44 -0.37 0.00 0.00 177.43 176.87 1whm h ASP 81 N 0.00 0.00 -3.81 1.15 5.19 -0.07 -3.45 116.42 115.43 1whm h ASP 81 Ca 0.11 0.00 -0.48 0.00 -0.62 0.00 0.00 57.03 56.04 1whm h ASP 81 Cb 0.49 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.98 1whm h ASP 81 CO -0.00 0.14 0.31 -0.63 -3.12 0.00 0.00 179.24 175.93 1whm s ILE 82 N -3.26 4.24 -0.46 0.35 1.01 0.81 -1.16 121.20 122.73 1whm s ILE 82 Ca 0.05 1.80 0.03 0.00 0.00 0.00 0.00 60.65 62.52 1whm s ILE 82 Cb 0.07 -4.05 0.13 0.00 0.01 0.00 0.00 42.46 38.62 1whm s ILE 82 CO 0.67 0.22 0.24 -0.63 0.00 0.00 0.00 174.94 175.44 1whm s ILE 83 N -1.52 1.75 0.00 2.92 1.01 0.23 -4.92 121.20 120.66 1whm s ILE 83 Ca 0.47 -2.78 0.00 0.00 0.00 0.00 0.00 60.65 58.34 1whm s ILE 83 Cb -0.20 -2.22 0.00 0.00 0.01 0.00 0.00 42.46 40.05 1whm s ILE 83 CO 0.25 -0.87 0.00 -0.81 0.00 0.00 0.00 174.94 173.51 1whm n PRO 84 N 3.42 -0.53 -3.24 2.79 -0.04 -1.26 -0.69 135.00 135.44 1whm n PRO 84 Ca 0.08 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.51 1whm n PRO 84 Cb 0.34 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.77 1whm n PRO 84 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1whm s GLU 85 N -2.36 0.69 0.37 0.54 2.56 -1.26 -4.78 118.70 114.46 1whm s GLU 85 Ca 0.00 -0.17 -0.15 0.00 0.00 0.00 0.00 54.97 54.65 1whm s GLU 85 Cb 0.00 -0.06 0.05 0.00 2.00 0.00 0.00 34.13 36.11 1whm s GLU 85 CO 0.00 -1.15 0.75 -1.12 -0.56 0.00 0.00 175.26 173.18 1whm s SER 86 N 2.03 0.05 0.55 -1.70 0.01 -1.26 -5.05 113.70 108.34 1whm s SER 86 Ca 0.14 -1.11 0.05 0.00 1.31 0.00 0.00 55.95 56.35 1whm s SER 86 Cb -0.08 0.82 0.05 0.00 0.21 0.00 0.00 66.02 67.02 1whm s SER 86 CO -0.12 -1.61 0.46 -1.20 0.41 0.00 0.00 173.24 171.17 1whm n SER 87 N -1.29 2.69 0.00 2.44 7.64 -1.26 -5.04 113.62 118.81 1whm n SER 87 Ca -0.07 -2.86 0.00 0.00 1.01 0.00 0.00 58.87 56.95 1whm n SER 87 Cb 0.60 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 1whm n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1whm n GLY 88 N -1.70 -1.94 3.55 0.23 0.00 -1.26 -5.09 105.19 98.99 1whm n GLY 88 Ca 0.00 0.64 -0.38 0.00 0.00 0.00 0.00 46.02 46.28 1whm n GLY 88 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1whm s PRO 89 N 0.00 2.56 -0.47 1.61 0.04 -1.26 -4.84 135.00 132.64 1whm s PRO 89 Ca 0.00 0.66 0.06 0.00 0.04 0.00 0.00 61.00 61.77 1whm s PRO 89 Cb 0.00 -4.44 0.21 0.00 0.04 0.00 0.00 34.50 30.31 1whm s PRO 89 CO 0.00 -2.83 0.65 0.45 0.04 0.00 0.00 177.00 175.31 1whm n SER 90 N 13.18 -2.14 -4.51 6.66 2.88 -1.26 -5.14 113.62 123.29 1whm n SER 90 Ca 0.23 -2.86 -0.24 0.00 -1.33 0.00 0.00 58.87 54.67 1whm n SER 90 Cb 0.52 0.91 -0.11 0.00 -0.75 0.00 0.00 64.21 64.79 1whm n SER 90 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1whm s SER 91 N -0.24 3.06 0.00 -3.46 0.01 -1.26 -5.31 113.70 106.49 1whm s SER 91 Ca 0.32 -1.33 0.00 0.00 1.31 0.00 0.00 55.95 56.25 1whm s SER 91 Cb 0.09 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.09 1whm s SER 91 CO -0.14 -0.48 0.00 0.61 0.41 0.00 0.00 173.24 173.64