#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 7.00 0.00 1.61 0.01 -1.26 -4.88 113.70 116.18 1whm s SER 2 Ca 0.00 1.99 0.00 0.00 1.31 0.00 0.00 55.95 59.25 1whm s SER 2 Cb 0.00 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1whm s SER 2 CO 0.00 -0.57 0.00 -1.54 0.41 0.00 0.00 173.24 171.54 1whm n SER 3 N 4.66 2.17 0.00 2.44 3.41 -1.26 -5.05 113.62 119.98 1whm n SER 3 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1whm n SER 3 Cb 0.45 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 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 3.16 0.73 0.67 5.00 0.00 -1.26 -4.68 105.19 108.82 1whm n GLY 4 Ca 0.00 0.49 -0.04 0.00 0.00 0.00 0.00 46.02 46.46 1whm n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1whm n SER 5 N 6.22 1.15 -1.43 1.61 7.64 -1.26 -5.05 113.62 122.50 1whm n SER 5 Ca 0.00 -1.32 0.00 0.00 1.01 0.00 0.00 58.87 58.56 1whm n SER 5 Cb 0.00 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 1whm n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1whm n SER 6 N -2.13 -7.71 0.00 6.43 2.88 -1.26 -5.00 113.62 106.83 1whm n SER 6 Ca 0.00 1.56 0.00 0.00 -1.33 0.00 0.00 58.87 59.10 1whm n SER 6 Cb 0.11 -4.44 0.00 0.00 -0.75 0.00 0.00 64.21 59.13 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 -2.12 0.29 3.59 0.46 0.00 -1.26 -5.07 105.19 101.08 1whm n GLY 7 Ca 0.00 -1.23 -0.38 0.00 0.00 0.00 0.00 46.02 44.42 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 0.00 0.81 -0.02 1.61 -0.02 -1.26 -4.95 135.00 131.17 1whm n PRO 8 Ca 0.00 0.31 -0.16 0.00 -2.02 0.00 0.00 63.50 61.64 1whm n PRO 8 Cb 0.00 -2.08 -0.10 0.00 -0.02 0.00 0.00 33.50 31.30 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 0.41 0.41 -6.19 0.52 0.13 -1.97 -3.44 132.00 121.87 1whm h PRO 9 Ca -0.48 -0.36 -0.56 0.00 -0.87 0.00 0.00 66.00 63.74 1whm h PRO 9 Cb 1.37 0.08 -0.04 0.00 0.13 0.00 0.00 31.00 32.54 1whm h PRO 9 CO 0.50 1.01 0.36 -1.17 -0.23 0.00 0.00 178.00 178.47 1whm s LEU 10 N -8.56 4.28 0.36 1.56 2.96 -1.26 -5.02 118.68 113.00 1whm s LEU 10 Ca -0.14 1.42 -0.27 0.00 -0.22 0.00 0.00 54.13 54.92 1whm s LEU 10 Cb 0.04 -3.38 -0.09 0.00 0.50 0.00 0.00 46.19 43.25 1whm s LEU 10 CO 0.80 -0.30 1.26 -1.61 -1.32 0.00 0.00 176.35 175.18 1whm s GLU 11 N 1.46 4.21 0.49 1.98 2.02 -1.26 -4.94 118.70 122.67 1whm s GLU 11 Ca 0.45 2.09 -0.15 0.00 0.02 0.00 0.00 54.97 57.39 1whm s GLU 11 Cb -0.19 -2.92 -0.07 0.00 0.10 0.00 0.00 34.13 31.05 1whm s GLU 11 CO 0.20 -0.26 0.93 0.42 0.02 0.00 0.00 175.26 176.57 1whm s ILE 12 N -1.23 4.61 -1.69 -1.63 -1.09 -1.26 -3.84 121.20 115.08 1whm s ILE 12 Ca 0.52 1.03 -0.01 0.00 -2.23 0.00 0.00 60.65 59.97 1whm s ILE 12 Cb -0.37 -3.74 0.00 0.00 -1.58 0.00 0.00 42.46 36.78 1whm s ILE 12 CO 0.48 -0.68 0.09 0.59 -1.23 0.00 0.00 174.94 174.19 1whm n ASN 13 N -1.60 -5.79 -4.65 3.58 4.13 -0.75 -4.99 115.26 105.20 1whm n ASN 13 Ca 0.05 -0.06 -0.24 0.00 1.68 0.00 0.00 54.58 56.01 1whm n ASN 13 Cb 0.54 -4.78 -0.08 0.00 -1.54 0.00 0.00 39.78 33.92 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 -2.19 4.30 -0.22 6.41 0.01 -1.25 -4.89 113.70 115.87 1whm s SER 14 Ca 0.05 -0.93 -0.09 0.00 1.31 0.00 0.00 55.95 56.28 1whm s SER 14 Cb -0.02 -0.58 -0.04 0.00 0.21 0.00 0.00 66.02 65.58 1whm s SER 14 CO 0.06 -0.24 0.11 -0.13 0.41 0.00 0.00 173.24 173.44 1whm s ARG 15 N -3.74 3.95 -0.01 12.44 1.81 -1.26 0.79 118.95 132.93 1whm s ARG 15 Ca 0.35 -0.34 -0.08 0.00 -1.72 0.00 0.00 55.73 53.94 1whm s ARG 15 Cb -0.01 -3.39 0.01 0.00 -0.45 0.00 0.00 34.95 31.11 1whm s ARG 15 CO 0.20 0.08 0.17 0.14 -0.68 0.00 0.00 175.30 175.20 1whm s VAL 16 N 0.96 0.07 0.63 3.52 -7.23 0.27 -4.28 120.40 114.34 1whm s VAL 16 Ca 0.06 -0.59 0.01 0.00 -1.81 0.00 0.00 61.98 59.65 1whm s VAL 16 Cb -0.14 -0.44 0.08 0.00 0.56 0.00 0.00 36.38 36.44 1whm s VAL 16 CO 0.03 -0.32 0.88 -0.44 -0.31 0.00 0.00 175.10 174.94 1whm s SER 17 N -1.21 4.84 -0.02 4.85 0.01 0.35 0.11 113.70 122.62 1whm s SER 17 Ca -0.13 -0.24 0.01 0.00 1.31 0.00 0.00 55.95 56.90 1whm s SER 17 Cb -0.07 -0.39 0.02 0.00 0.21 0.00 0.00 66.02 65.80 1whm s SER 17 CO 0.02 -1.49 -0.02 -0.76 0.41 0.00 0.00 173.24 171.40 1whm s LEU 18 N -4.93 1.48 -0.64 2.44 1.43 0.52 0.67 118.68 119.66 1whm s LEU 18 Ca 0.62 -0.05 -0.24 0.00 -1.03 0.00 0.00 54.13 53.42 1whm s LEU 18 Cb -0.08 -0.24 0.05 0.00 0.03 0.00 0.00 46.19 45.96 1whm s LEU 18 CO 0.41 -0.04 1.04 -0.75 0.23 0.00 0.00 176.35 177.23 1whm s LYS 19 N 0.62 3.21 -0.21 1.70 2.36 0.13 -1.23 119.74 126.32 1whm s LYS 19 Ca -0.06 -0.48 -0.02 0.00 -2.55 0.00 0.00 55.97 52.86 1whm s LYS 19 Cb -0.10 -4.15 0.01 0.00 -1.05 0.00 0.00 37.83 32.54 1whm s LYS 19 CO -0.01 -1.78 -0.10 0.14 1.55 0.00 0.00 175.35 175.15 1whm s VAL 20 N 4.43 2.80 0.00 4.02 -7.23 0.26 -4.96 120.40 119.72 1whm s VAL 20 Ca 0.28 -0.76 0.00 0.00 -1.81 0.00 0.00 61.98 59.70 1whm s VAL 20 Cb -0.13 -2.27 0.00 0.00 0.56 0.00 0.00 36.38 34.54 1whm s VAL 20 CO 0.15 0.42 0.00 0.61 -0.31 0.00 0.00 175.10 175.97 1whm n GLY 21 N 4.71 1.13 0.97 2.32 0.00 -1.26 -1.37 105.19 111.69 1whm n GLY 21 Ca -0.19 0.45 0.01 0.00 0.00 0.00 0.00 46.02 46.29 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 1.71 -3.84 1.61 -0.58 -1.26 -5.04 120.64 113.24 1whm n GLU 22 Ca 0.00 -3.29 -0.09 0.00 -0.42 0.00 0.00 57.16 53.36 1whm n GLU 22 Cb 0.00 -1.53 -0.04 0.00 -0.57 0.00 0.00 31.44 29.30 1whm n GLU 22 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1whm s THR 23 N -3.08 0.01 0.29 2.62 2.01 -0.47 -5.18 115.64 111.83 1whm s THR 23 Ca 0.39 -1.01 0.10 0.00 0.31 0.00 0.00 61.69 61.49 1whm s THR 23 Cb 0.38 -1.87 -0.05 0.00 0.01 0.00 0.00 72.50 70.97 1whm s THR 23 CO -0.06 -0.05 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.13 1whm s ILE 24 N -3.93 2.96 -0.12 1.82 -1.09 -1.26 -0.57 121.20 119.02 1whm s ILE 24 Ca 0.13 -2.07 -0.04 0.00 -2.23 0.00 0.00 60.65 56.45 1whm s ILE 24 Cb -0.02 -2.68 0.06 0.00 -1.58 0.00 0.00 42.46 38.24 1whm s ILE 24 CO 0.03 -0.34 0.17 -1.61 -1.23 0.00 0.00 174.94 171.97 1whm s GLU 25 N -3.64 0.07 0.28 2.79 2.02 -0.37 -4.90 118.70 114.95 1whm s GLU 25 Ca 0.32 0.45 -0.29 0.00 0.02 0.00 0.00 54.97 55.46 1whm s GLU 25 Cb -0.04 -0.58 -0.10 0.00 0.10 0.00 0.00 34.13 33.51 1whm s GLU 25 CO 0.18 -0.41 1.33 -1.12 0.02 0.00 0.00 175.26 175.26 1whm s SER 26 N 2.29 6.80 0.29 -0.19 0.01 -1.26 -0.35 113.70 121.30 1whm s SER 26 Ca 0.04 2.59 -0.04 0.00 1.31 0.00 0.00 55.95 59.85 1whm s SER 26 Cb -0.13 -2.63 0.02 0.00 0.21 0.00 0.00 66.02 63.48 1whm s SER 26 CO -0.07 -0.55 0.46 0.61 0.41 0.00 0.00 173.24 174.10 1whm n GLY 27 N 1.52 1.99 3.67 3.44 0.00 0.30 -4.08 105.19 112.02 1whm n GLY 27 Ca 0.03 -1.47 -0.24 0.00 0.00 0.00 0.00 46.02 44.34 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 -2.62 3.66 -0.23 2.61 2.01 -0.30 0.94 115.64 121.71 1whm s THR 28 Ca 0.21 -1.66 -0.13 0.00 0.31 0.00 0.00 61.69 60.41 1whm s THR 28 Cb -0.02 -2.91 -0.04 0.00 0.01 0.00 0.00 72.50 69.54 1whm s THR 28 CO 0.15 -0.27 0.28 -0.69 -0.69 0.00 0.00 174.62 173.40 1whm s VAL 29 N -2.06 5.27 0.00 3.82 1.01 0.24 0.01 120.40 128.68 1whm s VAL 29 Ca 0.30 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.71 1whm s VAL 29 Cb -0.08 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1whm s VAL 29 CO 0.20 0.27 0.00 2.30 0.00 0.00 0.00 175.10 177.87 1whm n ILE 30 N 4.51 0.00 -4.24 2.22 -5.35 -1.15 -1.80 119.36 113.54 1whm n ILE 30 Ca -0.11 0.00 -0.16 0.00 -0.27 0.00 0.00 62.75 62.20 1whm n ILE 30 Cb 0.51 -0.40 -0.11 0.00 -1.74 0.00 0.00 39.64 37.91 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 -1.77 1.34 -0.30 4.28 5.36 -1.20 -4.92 117.98 120.78 1whm s PHE 31 Ca 0.00 -0.63 -0.07 0.00 -0.96 0.00 0.00 56.93 55.27 1whm s PHE 31 Cb 0.00 -0.69 0.19 0.00 -0.34 0.00 0.00 43.02 42.18 1whm s PHE 31 CO 0.00 0.13 0.89 0.00 -1.46 0.00 0.00 175.22 174.78 1whm n ASP 33 N 5.32 0.00 -4.97 0.00 -0.08 -0.73 -4.80 116.55 111.29 1whm n ASP 33 Ca 0.03 -0.86 -0.21 0.00 -1.51 0.00 0.00 54.79 52.24 1whm n ASP 33 Cb 0.55 0.00 0.01 0.00 2.34 0.00 0.00 41.12 44.02 1whm n ASP 33 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 1whm s VAL 34 N -2.20 3.77 0.28 5.18 -7.23 -1.26 -1.10 120.40 117.84 1whm s VAL 34 Ca 0.00 -0.72 0.10 0.00 -1.81 0.00 0.00 61.98 59.55 1whm s VAL 34 Cb 0.00 -3.36 -0.05 0.00 0.56 0.00 0.00 36.38 33.54 1whm s VAL 34 CO 0.00 -0.21 -0.04 -0.76 -0.31 0.00 0.00 175.10 173.78 1whm s LEU 35 N -4.45 3.02 -0.04 1.32 1.43 -1.26 -4.93 118.68 113.78 1whm s LEU 35 Ca 0.49 -0.79 -0.36 0.00 -1.03 0.00 0.00 54.13 52.44 1whm s LEU 35 Cb -0.10 -1.52 -0.14 0.00 0.03 0.00 0.00 46.19 44.46 1whm s LEU 35 CO 0.35 -0.03 1.67 -2.65 0.23 0.00 0.00 176.35 175.92 1whm n PRO 36 N -0.85 1.74 -2.67 1.29 -0.02 -1.26 -0.93 135.00 132.30 1whm n PRO 36 Ca -0.06 0.63 -0.20 0.00 -2.02 0.00 0.00 63.50 61.85 1whm n PRO 36 Cb 0.60 -2.38 0.01 0.00 -0.02 0.00 0.00 33.50 31.70 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 3.75 -0.51 1.44 -1.23 0.00 -1.26 -4.83 105.19 102.55 1whm n GLY 37 Ca 0.21 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 -3.37 0.12 0.07 1.61 5.02 -0.11 -4.89 118.16 116.62 1whm n LYS 38 Ca -0.18 -1.75 -0.08 0.00 -2.02 0.00 0.00 58.31 54.28 1whm n LYS 38 Cb 0.65 0.09 -0.10 0.00 -0.02 0.00 0.00 35.03 35.65 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 0.77 0.06 -0.04 1.97 3.07 -1.83 -3.25 114.58 115.33 1whm h GLU 39 Ca -0.33 -0.10 -0.12 0.00 -0.50 0.00 0.00 59.36 58.30 1whm h GLU 39 Cb 1.71 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 29.64 1whm h GLU 39 CO -0.02 1.01 -0.54 1.03 -1.40 0.00 0.00 179.01 179.09 1whm h SER 40 N 0.02 0.14 -0.45 1.42 0.87 -1.93 -3.14 113.55 110.48 1whm h SER 40 Ca -0.03 -0.07 0.01 0.00 -1.23 0.00 0.00 61.79 60.46 1whm h SER 40 Cb 1.74 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 63.64 1whm h SER 40 CO 0.14 0.65 0.29 -0.07 -0.53 0.00 0.00 176.83 177.31 1whm h LEU 41 N 0.10 0.49 0.00 2.23 3.38 -1.93 -3.49 115.31 116.09 1whm h LEU 41 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1whm h LEU 41 Cb 0.98 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1whm h LEU 41 CO 0.08 0.36 0.00 0.61 0.09 0.00 0.00 178.44 179.57 1whm n GLY 42 N -1.22 -0.46 2.58 0.83 0.00 -1.19 -5.07 105.19 100.66 1whm n GLY 42 Ca 0.02 -0.35 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.32 0.87 0.97 1.61 1.51 -1.26 -4.68 117.35 114.06 1whm s TYR 43 Ca 0.00 -1.40 -0.11 0.00 -1.01 0.00 0.00 57.07 54.55 1whm s TYR 43 Cb 0.00 -1.17 0.18 0.00 -0.11 0.00 0.00 41.96 40.86 1whm s TYR 43 CO 0.00 -0.84 1.10 -0.06 -1.11 0.00 0.00 175.55 174.64 1whm s PHE 44 N 1.57 1.75 -0.17 2.71 0.40 -0.26 -3.31 117.98 120.67 1whm s PHE 44 Ca 0.12 1.49 -0.13 0.00 -0.60 0.00 0.00 56.93 57.81 1whm s PHE 44 Cb -0.19 -3.21 0.05 0.00 0.51 0.00 0.00 43.02 40.18 1whm s PHE 44 CO -0.21 -2.97 0.44 0.08 0.70 0.00 0.00 175.22 173.25 1whm s VAL 45 N -2.67 -0.01 -0.42 -0.44 1.01 0.14 -1.77 120.40 116.24 1whm s VAL 45 Ca 0.66 0.04 -0.17 0.00 0.00 0.00 0.00 61.98 62.51 1whm s VAL 45 Cb -0.22 -0.63 0.02 0.00 0.00 0.00 0.00 36.38 35.55 1whm s VAL 45 CO 0.60 0.02 0.41 -0.83 0.00 0.00 0.00 175.10 175.29 1whm s GLY 46 N 0.78 1.92 -0.21 4.51 0.00 -1.03 -0.59 107.32 112.70 1whm s GLY 46 Ca -0.04 -1.57 -0.13 0.00 0.00 0.00 0.00 44.72 42.98 1whm s GLY 46 CO -0.06 1.11 0.26 0.14 0.00 0.00 0.00 173.10 174.55 1whm s VAL 47 N 2.03 5.30 -0.74 1.40 1.01 0.53 -2.95 120.40 126.98 1whm s VAL 47 Ca 0.10 0.42 -0.19 0.00 0.00 0.00 0.00 61.98 62.31 1whm s VAL 47 Cb -0.18 -3.59 0.12 0.00 0.00 0.00 0.00 36.38 32.73 1whm s VAL 47 CO 0.13 0.33 0.89 -0.62 0.00 0.00 0.00 175.10 175.83 1whm s ASP 48 N 0.87 6.39 1.05 3.32 2.15 0.10 -0.37 116.67 130.17 1whm s ASP 48 Ca 0.13 -1.70 -0.12 0.00 0.43 0.00 0.00 52.55 51.29 1whm s ASP 48 Cb -0.13 -2.34 0.20 0.00 -0.30 0.00 0.00 42.92 40.34 1whm s ASP 48 CO 0.05 -1.09 0.95 0.23 -0.17 0.00 0.00 175.17 175.14 1whm n MET 49 N 6.34 -1.39 0.07 4.34 2.81 -1.08 -1.15 117.12 127.06 1whm n MET 49 Ca 0.05 -0.36 -0.10 0.00 -1.81 0.00 0.00 57.70 55.48 1whm n MET 49 Cb 0.46 -2.20 -0.13 0.00 -0.71 0.00 0.00 33.22 30.64 1whm n MET 49 CO 0.00 0.00 0.00 0.22 1.51 0.00 0.00 175.97 177.70 1whm h ASP 50 N -2.23 0.12 -2.24 7.83 1.82 -1.92 -3.46 116.42 116.34 1whm h ASP 50 Ca -0.52 -0.13 -0.52 0.00 -0.39 0.00 0.00 57.03 55.48 1whm h ASP 50 Cb 1.30 -0.04 -0.06 0.00 0.68 0.00 0.00 39.33 41.22 1whm h ASP 50 CO 0.44 1.10 -0.55 0.20 -1.61 0.00 0.00 179.24 178.82 1whm s ASN 51 N -6.81 5.39 -1.14 2.28 -0.87 -1.26 -5.02 114.94 107.51 1whm s ASN 51 Ca -0.01 -0.29 -0.23 0.00 -1.57 0.00 0.00 52.86 50.76 1whm s ASN 51 Cb 0.09 -1.33 -0.09 0.00 -0.02 0.00 0.00 41.25 39.90 1whm s ASN 51 CO 0.84 -0.02 1.95 -2.16 -2.57 0.00 0.00 177.10 175.14 1whm s PRO 52 N -3.76 2.40 -0.01 -0.60 0.04 -1.26 -4.49 135.00 127.33 1whm s PRO 52 Ca 0.32 -0.99 0.25 0.00 0.04 0.00 0.00 61.00 60.63 1whm s PRO 52 Cb -0.08 -5.20 0.43 0.00 0.04 0.00 0.00 34.50 29.69 1whm s PRO 52 CO 0.24 -4.01 1.17 0.44 0.04 0.00 0.00 177.00 174.87 1whm n ILE 53 N 7.91 0.05 -1.76 0.56 -5.35 -0.48 -4.94 119.36 115.34 1whm n ILE 53 Ca 0.44 -1.06 0.00 0.00 -0.27 0.00 0.00 62.75 61.86 1whm n ILE 53 Cb 0.47 1.00 0.00 0.00 -1.74 0.00 0.00 39.64 39.37 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 0.45 0.35 1.41 3.28 0.00 0.28 -4.86 105.19 106.10 1whm n GLY 54 Ca 0.05 -1.88 -0.00 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.44 -0.19 -3.66 1.61 6.94 -1.01 -4.62 115.26 111.89 1whm n ASN 55 Ca 0.00 -0.96 -0.07 0.00 -0.02 0.00 0.00 54.58 53.52 1whm n ASN 55 Cb 0.00 0.08 -0.08 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 0.01 -0.89 0.06 -2.53 -0.00 -1.20 -4.95 118.94 109.45 1whm s TRP 56 Ca 0.01 1.71 0.10 0.00 -0.00 0.00 0.00 56.10 57.93 1whm s TRP 56 Cb 0.05 0.44 -0.02 0.00 -0.00 0.00 0.00 33.47 33.94 1whm s TRP 56 CO -0.01 -0.48 1.39 0.22 -0.00 0.00 0.00 176.95 178.06 1whm h ASP 57 N 7.63 0.00 0.00 5.86 3.58 -1.89 -1.94 116.42 129.66 1whm h ASP 57 Ca -0.25 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.20 1whm h ASP 57 Cb 1.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.20 1whm h ASP 57 CO 0.17 0.78 0.00 0.61 -2.88 0.00 0.00 179.24 177.92 1whm n GLY 58 N 1.13 1.98 3.43 -0.78 0.00 -1.26 -2.26 105.19 107.43 1whm n GLY 58 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.19 1.80 -0.38 1.61 0.52 -1.26 0.51 118.95 121.55 1whm s ARG 59 Ca 0.00 -2.07 0.01 0.00 -0.52 0.00 0.00 55.73 53.15 1whm s ARG 59 Cb 0.00 -0.36 0.14 0.00 0.52 0.00 0.00 34.95 35.25 1whm s ARG 59 CO 0.00 -0.48 0.22 0.12 0.02 0.00 0.00 175.30 175.18 1whm s PHE 60 N -3.36 1.18 -1.57 -0.53 5.36 0.20 -4.85 117.98 114.42 1whm s PHE 60 Ca 0.30 -1.91 0.00 0.00 -0.96 0.00 0.00 56.93 54.36 1whm s PHE 60 Cb 0.04 -1.27 0.00 0.00 -0.34 0.00 0.00 43.02 41.44 1whm s PHE 60 CO 0.17 -0.81 0.00 -0.25 -1.46 0.00 0.00 175.22 172.87 1whm n ASP 61 N 3.87 -5.23 0.00 6.13 8.00 -1.26 -2.99 116.55 125.07 1whm n ASP 61 Ca 0.11 0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.68 1whm n ASP 61 Cb 0.36 -4.39 0.00 0.00 -0.02 0.00 0.00 41.12 37.07 1whm n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1whm n GLY 62 N -0.91 2.89 3.71 0.44 0.00 -1.26 -5.09 105.19 104.96 1whm n GLY 62 Ca -0.21 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 44.73 1whm n GLY 62 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1whm n VAL 63 N 0.00 0.33 -3.05 1.61 3.14 -1.16 -4.95 118.33 114.24 1whm n VAL 63 Ca 0.00 -0.08 -0.40 0.00 -2.96 0.00 0.00 64.34 60.90 1whm n VAL 63 Cb 0.00 -1.84 -0.05 0.00 -1.06 0.00 0.00 33.84 30.90 1whm n VAL 63 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 1whm s GLN 64 N 0.58 4.43 -0.09 1.45 2.00 -1.26 0.60 119.66 127.37 1whm s GLN 64 Ca 0.73 0.87 0.01 0.00 -2.00 0.00 0.00 55.36 54.96 1whm s GLN 64 Cb -0.55 -3.45 -0.06 0.00 0.80 0.00 0.00 33.01 29.75 1whm s GLN 64 CO 0.39 0.05 -0.07 1.28 -0.50 0.00 0.00 175.29 176.44 1whm n LEU 65 N 3.82 2.82 -3.85 3.68 4.77 0.91 -4.95 117.00 124.20 1whm n LEU 65 Ca -0.01 -0.04 -0.29 0.00 -0.03 0.00 0.00 56.01 55.63 1whm n LEU 65 Cb 0.51 -0.28 -0.16 0.00 -2.33 0.00 0.00 43.42 41.16 1whm n LEU 65 CO 0.47 0.62 -0.40 0.00 -1.33 0.00 0.00 177.39 176.75 1whm h SER 67 N 8.09 0.82 0.62 0.00 4.64 -1.88 -3.11 113.55 122.73 1whm h SER 67 Ca -0.18 -0.68 0.00 0.00 -0.47 0.00 0.00 61.79 60.46 1whm h SER 67 Cb 1.10 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1whm h SER 67 CO 0.38 1.38 0.00 -0.26 -0.87 0.00 0.00 176.83 177.46 1whm h PHE 68 N 0.33 0.00 -3.33 4.77 0.04 -1.94 -3.44 116.94 113.36 1whm h PHE 68 Ca -0.07 0.00 -0.42 0.00 2.80 0.00 0.00 57.97 60.28 1whm h PHE 68 Cb 1.43 0.00 0.20 0.00 2.20 0.00 0.00 35.95 39.78 1whm h PHE 68 CO 0.11 0.00 0.02 0.00 -0.60 0.00 0.00 178.31 177.84 1whm s ALA 69 N -3.76 -0.16 -0.29 2.45 0.00 -1.18 -5.06 121.76 113.76 1whm s ALA 69 Ca -0.01 -0.54 -0.22 0.00 0.00 0.00 0.00 51.96 51.20 1whm s ALA 69 Cb 0.10 -3.06 0.17 0.00 0.00 0.00 0.00 23.12 20.33 1whm s ALA 69 CO 0.46 -3.88 1.25 0.00 0.00 0.00 0.00 175.76 173.60 1whm n VAL 71 N 2.35 1.85 0.00 0.00 3.14 -0.74 -3.15 118.33 121.78 1whm n VAL 71 Ca -0.13 -1.45 0.00 0.00 -2.96 0.00 0.00 64.34 59.80 1whm n VAL 71 Cb 0.57 -2.24 0.00 0.00 -1.06 0.00 0.00 33.84 31.11 1whm n VAL 71 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1whm n GLU 72 N 6.31 0.00 0.00 1.45 1.02 -1.26 -4.72 120.64 123.44 1whm n GLU 72 Ca 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 1whm n GLU 72 Cb 0.33 -0.08 0.00 0.00 -0.02 0.00 0.00 31.44 31.66 1whm n GLU 72 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1whm n SER 73 N -2.10 2.06 -4.73 1.62 2.88 -1.20 0.10 113.62 112.25 1whm n SER 73 Ca 0.00 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.14 1whm n SER 73 Cb 0.00 0.01 0.03 0.00 -0.75 0.00 0.00 64.21 63.50 1whm n SER 73 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1whm n THR 74 N -1.97 3.06 -3.68 2.46 -1.04 -1.19 -2.64 114.28 109.29 1whm n THR 74 Ca 0.00 -0.50 -0.13 0.00 -2.04 0.00 0.00 64.05 61.38 1whm n THR 74 Cb 0.25 -1.69 -0.13 0.00 -1.82 0.00 0.00 70.33 66.94 1whm n THR 74 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1whm s ILE 75 N -1.23 -0.34 -0.22 12.58 1.01 0.50 -2.40 121.20 131.10 1whm s ILE 75 Ca 0.65 0.26 -0.22 0.00 0.00 0.00 0.00 60.65 61.33 1whm s ILE 75 Cb -0.46 -0.43 -0.02 0.00 0.01 0.00 0.00 42.46 41.57 1whm s ILE 75 CO 0.55 0.11 0.72 -0.22 0.00 0.00 0.00 174.94 176.09 1whm s LEU 76 N 2.19 4.11 0.27 2.97 2.96 -1.26 -0.35 118.68 129.58 1whm s LEU 76 Ca -0.01 0.91 -0.08 0.00 -0.22 0.00 0.00 54.13 54.73 1whm s LEU 76 Cb -0.12 -3.02 -0.01 0.00 0.50 0.00 0.00 46.19 43.55 1whm s LEU 76 CO -0.08 -0.39 0.42 -0.76 -1.32 0.00 0.00 176.35 174.22 1whm s LEU 77 N 2.37 0.62 0.20 -0.68 1.43 0.24 -4.88 118.68 117.98 1whm s LEU 77 Ca 0.31 -1.15 -0.30 0.00 -1.03 0.00 0.00 54.13 51.97 1whm s LEU 77 Cb -0.16 1.48 -0.08 0.00 0.03 0.00 0.00 46.19 47.46 1whm s LEU 77 CO 0.09 -1.14 1.17 -2.28 0.23 0.00 0.00 176.35 174.42 1whm s HIS 78 N -3.77 3.47 0.32 0.29 2.46 -1.26 0.25 115.29 117.04 1whm s HIS 78 Ca 0.27 1.49 0.09 0.00 0.47 0.00 0.00 55.06 57.38 1whm s HIS 78 Cb 0.01 -3.39 0.85 0.00 -0.13 0.00 0.00 32.58 29.91 1whm s HIS 78 CO 0.12 -1.02 1.75 0.97 -2.47 0.00 0.00 174.74 174.09 1whm h ILE 79 N 3.63 0.60 -0.18 0.89 2.10 -1.87 0.72 117.51 123.40 1whm h ILE 79 Ca -0.45 -0.22 0.05 0.00 1.08 0.00 0.00 64.86 65.32 1whm h ILE 79 Cb 1.21 -0.09 -0.01 0.00 -1.09 0.00 0.00 36.82 36.84 1whm h ILE 79 CO 0.73 0.12 0.18 -1.13 -1.08 0.00 0.00 178.15 176.96 1whm h ASN 80 N 0.64 0.00 1.55 2.19 -0.73 -1.91 0.21 115.58 117.52 1whm h ASN 80 Ca 0.62 0.00 -0.08 0.00 1.87 0.00 0.00 56.30 58.70 1whm h ASN 80 Cb 1.12 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.70 1whm h ASN 80 CO -0.43 0.00 -0.46 0.44 -0.37 0.00 0.00 177.43 176.61 1whm h ASP 81 N 0.00 0.00 -4.02 1.15 3.32 0.09 -3.46 116.42 113.50 1whm h ASP 81 Ca 0.08 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.65 1whm h ASP 81 Cb 0.44 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.02 1whm h ASP 81 CO -0.00 0.38 0.41 -0.63 -1.72 0.00 0.00 179.24 177.68 1whm s ILE 82 N -3.02 3.64 -0.42 0.35 1.01 0.73 0.22 121.20 123.70 1whm s ILE 82 Ca 0.04 1.14 0.02 0.00 0.00 0.00 0.00 60.65 61.84 1whm s ILE 82 Cb 0.07 -3.53 0.14 0.00 0.01 0.00 0.00 42.46 39.15 1whm s ILE 82 CO 0.73 -0.11 0.23 -0.63 0.00 0.00 0.00 174.94 175.17 1whm s ILE 83 N -1.79 1.17 0.00 2.92 1.09 0.21 -4.88 121.20 119.92 1whm s ILE 83 Ca 0.63 -2.39 0.00 0.00 -1.10 0.00 0.00 60.65 57.79 1whm s ILE 83 Cb -0.21 -1.82 0.00 0.00 -1.06 0.00 0.00 42.46 39.37 1whm s ILE 83 CO 0.25 -0.91 0.00 -0.81 -0.10 0.00 0.00 174.94 173.37 1whm n PRO 84 N 3.64 -0.39 -3.83 2.79 -0.04 -1.26 -0.49 135.00 135.41 1whm n PRO 84 Ca 0.09 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.30 1whm n PRO 84 Cb 0.35 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.78 1whm n PRO 84 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1whm s GLU 85 N -2.53 3.47 0.34 0.54 2.02 -1.26 -4.80 118.70 116.48 1whm s GLU 85 Ca 0.00 -0.55 0.05 0.00 0.02 0.00 0.00 54.97 54.50 1whm s GLU 85 Cb 0.00 -2.88 -0.07 0.00 0.10 0.00 0.00 34.13 31.28 1whm s GLU 85 CO 0.00 0.43 0.02 -1.12 0.02 0.00 0.00 175.26 174.61 1whm s SER 86 N -3.48 2.94 0.60 -0.19 0.01 -1.26 -5.08 113.70 107.24 1whm s SER 86 Ca 0.36 -1.34 0.00 0.00 1.31 0.00 0.00 55.95 56.28 1whm s SER 86 Cb -0.10 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 65.92 1whm s SER 86 CO 0.29 -0.50 0.00 -1.20 0.41 0.00 0.00 173.24 172.24 1whm n SER 87 N -0.76 -7.91 0.00 2.44 7.64 -1.26 -5.00 113.62 108.77 1whm n SER 87 Ca -0.04 1.59 0.00 0.00 1.01 0.00 0.00 58.87 61.44 1whm n SER 87 Cb 0.66 -4.91 0.00 0.00 -1.01 0.00 0.00 64.21 58.95 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 -3.66 2.92 3.77 0.23 0.00 -1.26 -5.12 105.19 102.06 1whm n GLY 88 Ca -0.06 -0.53 -0.34 0.00 0.00 0.00 0.00 46.02 45.09 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 3.09 -0.02 1.61 0.04 -1.26 -4.98 135.00 133.48 1whm s PRO 89 Ca 0.00 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.60 1whm s PRO 89 Cb 0.00 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.55 1whm s PRO 89 CO 0.00 -1.05 -0.02 -1.13 0.04 0.00 0.00 177.00 174.85 1whm n SER 90 N -1.76 3.90 -2.54 6.66 3.41 -1.26 -5.11 113.62 116.92 1whm n SER 90 Ca 0.11 -0.01 -0.00 0.00 -0.26 0.00 0.00 58.87 58.71 1whm n SER 90 Cb 0.51 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1whm n SER 90 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1whm n SER 91 N -2.53 -6.86 0.00 4.04 7.64 -1.26 -5.31 113.62 109.34 1whm n SER 91 Ca -0.03 1.24 0.00 0.00 1.01 0.00 0.00 58.87 61.09 1whm n SER 91 Cb 0.54 -4.75 0.00 0.00 -1.01 0.00 0.00 64.21 58.99 1whm n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64