#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 6.63 0.15 1.61 0.01 -1.26 -5.01 113.70 115.82 1whm s SER 2 Ca 0.00 2.60 0.05 0.00 1.31 0.00 0.00 55.95 59.91 1whm s SER 2 Cb 0.00 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 1whm s SER 2 CO 0.00 -0.77 -0.12 -0.55 0.41 0.00 0.00 173.24 172.21 1whm s SER 3 N 0.94 1.95 0.00 2.44 0.15 -1.26 -5.09 113.70 112.83 1whm s SER 3 Ca 0.67 -0.95 0.00 0.00 0.70 0.00 0.00 55.95 56.37 1whm s SER 3 Cb -0.42 -0.04 0.00 0.00 -1.71 0.00 0.00 66.02 63.84 1whm s SER 3 CO 0.34 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.14 1whm n GLY 4 N 0.01 -0.68 3.49 9.45 0.00 -1.26 -5.03 105.19 111.17 1whm n GLY 4 Ca -0.12 0.54 -0.23 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 -6.04 -3.81 1.61 7.64 -1.26 -4.97 113.62 106.79 1whm n SER 5 Ca 0.00 -0.52 -0.29 0.00 1.01 0.00 0.00 58.87 59.07 1whm n SER 5 Cb 0.00 -4.83 -0.13 0.00 -1.01 0.00 0.00 64.21 58.24 1whm n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1whm s SER 6 N -3.34 4.02 0.00 6.43 0.01 -1.26 -5.04 113.70 114.51 1whm s SER 6 Ca 0.54 -3.24 0.00 0.00 1.31 0.00 0.00 55.95 54.56 1whm s SER 6 Cb -0.24 -1.35 0.00 0.00 0.21 0.00 0.00 66.02 64.64 1whm s SER 6 CO 0.70 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.78 1whm n GLY 7 N 2.76 -0.65 3.53 3.44 0.00 -1.26 -5.15 105.19 107.86 1whm n GLY 7 Ca 0.14 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 45.28 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 0.67 -0.04 1.61 -0.02 -1.26 -4.94 135.00 131.03 1whm n PRO 8 Ca 0.00 0.26 -0.15 0.00 -2.02 0.00 0.00 63.50 61.60 1whm n PRO 8 Cb 0.00 -1.89 -0.09 0.00 -0.02 0.00 0.00 33.50 31.50 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 0.36 0.37 -6.58 0.52 0.13 -2.01 -3.44 132.00 121.35 1whm h PRO 9 Ca -0.47 -0.28 -0.52 0.00 -0.87 0.00 0.00 66.00 63.86 1whm h PRO 9 Cb 1.38 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.57 1whm h PRO 9 CO 0.49 0.90 0.50 -1.17 -0.23 0.00 0.00 178.00 178.49 1whm s LEU 10 N -8.76 4.43 0.06 1.56 2.96 -1.26 -4.99 118.68 112.69 1whm s LEU 10 Ca -0.14 2.04 -0.31 0.00 -0.22 0.00 0.00 54.13 55.51 1whm s LEU 10 Cb 0.04 -3.59 -0.07 0.00 0.50 0.00 0.00 46.19 43.07 1whm s LEU 10 CO 0.78 -0.32 1.38 -1.61 -1.32 0.00 0.00 176.35 175.26 1whm s GLU 11 N 0.24 4.31 0.53 1.98 2.02 -1.26 -5.00 118.70 121.53 1whm s GLU 11 Ca 0.53 2.00 -0.17 0.00 0.02 0.00 0.00 54.97 57.35 1whm s GLU 11 Cb -0.29 -3.40 -0.07 0.00 0.10 0.00 0.00 34.13 30.47 1whm s GLU 11 CO 0.33 -0.48 1.01 0.42 0.02 0.00 0.00 175.26 176.56 1whm s ILE 12 N 1.68 4.19 -1.72 -1.63 -1.09 -1.26 -3.63 121.20 117.73 1whm s ILE 12 Ca 0.64 1.10 -0.01 0.00 -2.23 0.00 0.00 60.65 60.15 1whm s ILE 12 Cb -0.34 -3.56 0.00 0.00 -1.58 0.00 0.00 42.46 36.98 1whm s ILE 12 CO 0.29 -0.55 0.11 0.59 -1.23 0.00 0.00 174.94 174.15 1whm n ASN 13 N -1.61 -5.89 -4.83 3.58 4.13 -0.74 -4.97 115.26 104.94 1whm n ASN 13 Ca 0.08 -0.07 -0.32 0.00 1.68 0.00 0.00 54.58 55.95 1whm n ASN 13 Cb 0.53 -4.87 -0.05 0.00 -1.54 0.00 0.00 39.78 33.86 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 -1.24 -4.86 113.70 115.91 1whm s SER 14 Ca 0.06 -1.60 -0.06 0.00 1.31 0.00 0.00 55.95 55.66 1whm s SER 14 Cb -0.02 0.66 -0.02 0.00 0.21 0.00 0.00 66.02 66.84 1whm s SER 14 CO 0.07 -1.00 0.02 -0.13 0.41 0.00 0.00 173.24 172.60 1whm s ARG 15 N -4.03 3.59 -0.00 12.44 1.81 -1.26 0.47 118.95 131.97 1whm s ARG 15 Ca 0.09 -0.52 -0.04 0.00 -1.72 0.00 0.00 55.73 53.54 1whm s ARG 15 Cb -0.01 -3.15 -0.00 0.00 -0.45 0.00 0.00 34.95 31.34 1whm s ARG 15 CO 0.06 -0.09 0.08 0.14 -0.68 0.00 0.00 175.30 174.80 1whm s VAL 16 N 1.29 0.07 0.56 3.52 -7.23 0.29 -4.09 120.40 114.80 1whm s VAL 16 Ca 0.04 -0.59 -0.01 0.00 -1.81 0.00 0.00 61.98 59.61 1whm s VAL 16 Cb -0.15 -0.31 0.03 0.00 0.56 0.00 0.00 36.38 36.51 1whm s VAL 16 CO 0.01 -0.32 0.80 -0.44 -0.31 0.00 0.00 175.10 174.84 1whm s SER 17 N -1.06 5.31 -0.03 4.85 0.01 0.65 0.10 113.70 123.54 1whm s SER 17 Ca -0.12 0.16 -0.00 0.00 1.31 0.00 0.00 55.95 57.30 1whm s SER 17 Cb -0.07 -1.07 0.03 0.00 0.21 0.00 0.00 66.02 65.12 1whm s SER 17 CO 0.00 -1.14 0.02 -0.76 0.41 0.00 0.00 173.24 171.77 1whm s LEU 18 N -4.82 0.89 -0.91 2.44 1.43 0.11 0.71 118.68 118.54 1whm s LEU 18 Ca 0.56 -0.00 -0.24 0.00 -1.03 0.00 0.00 54.13 53.42 1whm s LEU 18 Cb -0.10 -0.20 -0.02 0.00 0.03 0.00 0.00 46.19 45.90 1whm s LEU 18 CO 0.40 -0.14 1.78 -0.75 0.23 0.00 0.00 176.35 177.86 1whm s LYS 19 N 1.36 2.87 -0.27 1.70 2.20 0.62 -1.05 119.74 127.17 1whm s LYS 19 Ca -0.05 -0.45 -0.08 0.00 -0.36 0.00 0.00 55.97 55.02 1whm s LYS 19 Cb -0.13 -5.06 -0.02 0.00 -1.51 0.00 0.00 37.83 31.11 1whm s LYS 19 CO -0.03 -2.96 0.10 0.14 -0.36 0.00 0.00 175.35 172.25 1whm s VAL 20 N 8.41 4.43 0.00 4.02 -7.23 -0.23 -4.95 120.40 124.85 1whm s VAL 20 Ca 0.62 -0.26 0.00 0.00 -1.81 0.00 0.00 61.98 60.53 1whm s VAL 20 Cb -0.05 -3.14 0.00 0.00 0.56 0.00 0.00 36.38 33.74 1whm s VAL 20 CO -0.01 0.24 0.00 0.61 -0.31 0.00 0.00 175.10 175.62 1whm n GLY 21 N 4.94 3.12 1.10 2.32 0.00 -1.26 -2.19 105.19 113.23 1whm n GLY 21 Ca -0.15 0.04 -0.04 0.00 0.00 0.00 0.00 46.02 45.86 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 9.73 1.96 -3.86 1.61 1.02 -1.26 -5.02 120.64 124.82 1whm n GLU 22 Ca 0.00 -3.35 -0.08 0.00 -0.02 0.00 0.00 57.16 53.71 1whm n GLU 22 Cb 0.00 -1.81 -0.00 0.00 -0.02 0.00 0.00 31.44 29.60 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 -3.44 0.00 0.16 2.62 -1.32 -0.93 -5.18 115.64 107.55 1whm s THR 23 Ca 0.44 -1.07 0.06 0.00 -1.21 0.00 0.00 61.69 59.91 1whm s THR 23 Cb 0.40 -2.46 -0.04 0.00 -1.51 0.00 0.00 72.50 68.89 1whm s THR 23 CO -0.02 0.00 0.06 -0.63 -2.21 0.00 0.00 174.62 171.82 1whm s ILE 24 N -3.13 4.10 -0.15 5.08 -1.09 -1.26 -1.06 121.20 123.69 1whm s ILE 24 Ca 0.15 -1.22 -0.03 0.00 -2.23 0.00 0.00 60.65 57.33 1whm s ILE 24 Cb -0.05 -3.06 0.05 0.00 -1.58 0.00 0.00 42.46 37.82 1whm s ILE 24 CO 0.10 -0.08 0.03 -1.61 -1.23 0.00 0.00 174.94 172.15 1whm s GLU 25 N -2.94 0.54 0.17 2.79 0.41 -0.22 -4.89 118.70 114.56 1whm s GLU 25 Ca 0.29 -0.18 -0.31 0.00 -0.41 0.00 0.00 54.97 54.37 1whm s GLU 25 Cb -0.10 -1.65 -0.09 0.00 -1.78 0.00 0.00 34.13 30.51 1whm s GLU 25 CO 0.21 -0.53 1.38 -1.12 -0.49 0.00 0.00 175.26 174.71 1whm s SER 26 N 1.94 6.81 0.25 -0.19 0.01 -1.26 0.08 113.70 121.34 1whm s SER 26 Ca 0.02 2.44 -0.01 0.00 1.31 0.00 0.00 55.95 59.70 1whm s SER 26 Cb -0.15 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.48 1whm s SER 26 CO -0.07 -0.62 0.35 0.61 0.41 0.00 0.00 173.24 173.91 1whm n GLY 27 N 2.84 2.44 3.59 3.44 0.00 0.29 -4.06 105.19 113.73 1whm n GLY 27 Ca 0.09 -1.57 -0.29 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.72 3.37 0.13 2.61 2.01 -0.19 0.10 115.64 120.95 1whm s THR 28 Ca 0.21 -1.39 -0.14 0.00 0.31 0.00 0.00 61.69 60.68 1whm s THR 28 Cb -0.01 -2.62 -0.07 0.00 0.01 0.00 0.00 72.50 69.82 1whm s THR 28 CO 0.15 0.02 0.53 -0.69 -0.69 0.00 0.00 174.62 173.95 1whm s VAL 29 N -1.41 4.88 0.00 3.82 1.01 0.18 0.95 120.40 129.82 1whm s VAL 29 Ca 0.23 0.83 0.00 0.00 0.00 0.00 0.00 61.98 63.04 1whm s VAL 29 Cb -0.10 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.54 1whm s VAL 29 CO 0.15 0.29 0.00 2.30 0.00 0.00 0.00 175.10 177.84 1whm n ILE 30 N 0.93 0.00 -4.28 2.22 -5.35 -1.11 -1.79 119.36 109.98 1whm n ILE 30 Ca -0.06 0.00 -0.21 0.00 -0.27 0.00 0.00 62.75 62.20 1whm n ILE 30 Cb 0.52 -0.10 -0.12 0.00 -1.74 0.00 0.00 39.64 38.20 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 -1.30 1.65 -0.29 4.28 5.36 -1.16 -4.84 117.98 121.69 1whm s PHE 31 Ca 0.00 -0.47 -0.03 0.00 -0.96 0.00 0.00 56.93 55.47 1whm s PHE 31 Cb 0.00 -0.87 0.19 0.00 -0.34 0.00 0.00 43.02 42.01 1whm s PHE 31 CO 0.00 0.22 0.80 0.00 -1.46 0.00 0.00 175.22 174.78 1whm n ASP 33 N 5.30 -0.83 -4.92 0.00 8.00 -0.14 -4.80 116.55 119.16 1whm n ASP 33 Ca 0.06 -1.33 -0.27 0.00 0.71 0.00 0.00 54.79 53.96 1whm n ASP 33 Cb 0.55 1.33 0.03 0.00 -0.02 0.00 0.00 41.12 43.01 1whm n ASP 33 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1whm s VAL 34 N -2.18 3.61 0.22 2.53 -7.23 -1.26 -1.26 120.40 114.82 1whm s VAL 34 Ca 0.15 -0.01 0.08 0.00 -1.81 0.00 0.00 61.98 60.39 1whm s VAL 34 Cb -0.01 -3.44 -0.04 0.00 0.56 0.00 0.00 36.38 33.45 1whm s VAL 34 CO 0.01 -0.45 0.02 -0.76 -0.31 0.00 0.00 175.10 173.62 1whm s LEU 35 N -4.99 3.32 -0.08 1.32 1.43 -1.26 -4.91 118.68 113.51 1whm s LEU 35 Ca 0.54 -0.48 -0.36 0.00 -1.03 0.00 0.00 54.13 52.80 1whm s LEU 35 Cb -0.11 -1.91 -0.14 0.00 0.03 0.00 0.00 46.19 44.07 1whm s LEU 35 CO 0.45 0.04 1.72 -2.65 0.23 0.00 0.00 176.35 176.14 1whm n PRO 36 N -0.54 1.74 -2.31 1.29 -0.02 -1.26 -0.76 135.00 133.15 1whm n PRO 36 Ca -0.08 0.64 -0.18 0.00 -2.02 0.00 0.00 63.50 61.85 1whm n PRO 36 Cb 0.57 -2.40 -0.02 0.00 -0.02 0.00 0.00 33.50 31.64 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 3.92 -0.23 2.34 -1.23 0.00 -1.26 -4.83 105.19 103.90 1whm n GLY 37 Ca 0.22 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.86 1.10 0.09 1.61 5.02 0.06 -4.87 118.16 118.31 1whm n LYS 38 Ca -0.21 -2.86 -0.06 0.00 -2.02 0.00 0.00 58.31 53.16 1whm n LYS 38 Cb 0.66 -0.94 -0.01 0.00 -0.02 0.00 0.00 35.03 34.71 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 1.95 0.06 -0.01 1.97 5.08 -1.88 -3.18 114.58 118.57 1whm h GLU 39 Ca -0.19 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.05 1whm h GLU 39 Cb 1.49 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.75 1whm h GLU 39 CO 0.13 0.89 -0.20 1.03 -1.00 0.00 0.00 179.01 179.86 1whm h SER 40 N 0.03 0.01 -0.29 1.42 0.87 -1.93 -2.84 113.55 110.83 1whm h SER 40 Ca -0.02 -0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.56 1whm h SER 40 Cb 1.52 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.46 1whm h SER 40 CO 0.12 0.21 0.14 -0.07 -0.53 0.00 0.00 176.83 176.70 1whm h LEU 41 N 0.01 0.20 0.00 2.23 3.38 -1.94 -3.49 115.31 115.71 1whm h LEU 41 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1whm h LEU 41 Cb 0.36 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1whm h LEU 41 CO 0.03 0.15 0.00 0.61 0.09 0.00 0.00 178.44 179.32 1whm n GLY 42 N -1.18 0.00 2.62 0.83 0.00 -1.07 -5.04 105.19 101.35 1whm n GLY 42 Ca -0.01 -0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 0.14 0.74 1.61 1.51 -1.26 -4.66 117.35 115.43 1whm s TYR 43 Ca 0.00 -1.02 -0.15 0.00 -1.01 0.00 0.00 57.07 54.89 1whm s TYR 43 Cb 0.00 -0.68 0.04 0.00 -0.11 0.00 0.00 41.96 41.22 1whm s TYR 43 CO 0.00 -0.89 1.20 -0.06 -1.11 0.00 0.00 175.55 174.69 1whm s PHE 44 N 1.55 2.05 -0.06 2.71 0.08 -0.39 -3.56 117.98 120.35 1whm s PHE 44 Ca 0.15 1.61 -0.04 0.00 0.12 0.00 0.00 56.93 58.77 1whm s PHE 44 Cb -0.18 -3.46 0.03 0.00 -0.57 0.00 0.00 43.02 38.84 1whm s PHE 44 CO -0.12 -2.59 0.15 0.08 -0.10 0.00 0.00 175.22 172.64 1whm s VAL 45 N -2.03 -0.03 -0.38 -0.44 1.01 0.07 -0.96 120.40 117.64 1whm s VAL 45 Ca 0.74 0.11 -0.16 0.00 0.00 0.00 0.00 61.98 62.67 1whm s VAL 45 Cb -0.29 -0.24 0.00 0.00 0.00 0.00 0.00 36.38 35.86 1whm s VAL 45 CO 0.46 0.04 0.36 -0.83 0.00 0.00 0.00 175.10 175.13 1whm s GLY 46 N 0.75 1.92 -0.17 4.51 0.00 -0.58 -1.15 107.32 112.60 1whm s GLY 46 Ca -0.06 -1.39 -0.06 0.00 0.00 0.00 0.00 44.72 43.21 1whm s GLY 46 CO -0.04 1.01 0.03 0.14 0.00 0.00 0.00 173.10 174.24 1whm s VAL 47 N 1.97 4.47 -0.64 1.40 1.01 0.46 -2.77 120.40 126.31 1whm s VAL 47 Ca 0.10 -0.15 -0.20 0.00 0.00 0.00 0.00 61.98 61.73 1whm s VAL 47 Cb -0.17 -3.00 0.10 0.00 0.00 0.00 0.00 36.38 33.31 1whm s VAL 47 CO 0.12 0.48 0.81 -0.62 0.00 0.00 0.00 175.10 175.88 1whm s ASP 48 N 0.34 6.22 0.67 3.32 -1.08 0.27 -0.93 116.67 125.48 1whm s ASP 48 Ca 0.01 -1.37 -0.15 0.00 -0.52 0.00 0.00 52.55 50.52 1whm s ASP 48 Cb -0.13 -2.34 0.01 0.00 -1.46 0.00 0.00 42.92 39.00 1whm s ASP 48 CO 0.01 -1.20 1.13 -0.04 0.52 0.00 0.00 175.17 175.59 1whm s MET 49 N 3.05 2.66 0.19 4.34 -1.94 -0.74 -1.02 119.30 125.84 1whm s MET 49 Ca 0.16 1.47 0.05 0.00 -1.71 0.00 0.00 55.69 55.66 1whm s MET 49 Cb -0.21 -1.93 0.06 0.00 2.01 0.00 0.00 34.83 34.77 1whm s MET 49 CO 0.06 -1.37 1.43 0.22 -0.01 0.00 0.00 175.02 175.35 1whm h ASP 50 N -0.04 0.15 -2.60 3.03 1.82 -1.91 -3.45 116.42 113.42 1whm h ASP 50 Ca -0.47 -0.12 -0.48 0.00 -0.39 0.00 0.00 57.03 55.57 1whm h ASP 50 Cb 1.26 -0.05 -0.00 0.00 0.68 0.00 0.00 39.33 41.22 1whm h ASP 50 CO 0.53 0.90 -0.30 0.20 -1.61 0.00 0.00 179.24 178.96 1whm s ASN 51 N -6.87 6.32 -1.18 2.28 0.01 -1.26 -4.99 114.94 109.25 1whm s ASN 51 Ca -0.02 0.31 -0.23 0.00 -0.71 0.00 0.00 52.86 52.22 1whm s ASN 51 Cb 0.11 -1.97 -0.08 0.00 0.41 0.00 0.00 41.25 39.72 1whm s ASN 51 CO 0.81 -0.16 1.93 -2.16 -1.51 0.00 0.00 177.10 176.00 1whm s PRO 52 N -3.98 2.55 -0.02 -0.60 0.04 -1.26 -4.47 135.00 127.25 1whm s PRO 52 Ca 0.38 -1.18 0.20 0.00 0.04 0.00 0.00 61.00 60.44 1whm s PRO 52 Cb -0.10 -5.25 0.35 0.00 0.04 0.00 0.00 34.50 29.54 1whm s PRO 52 CO 0.32 -3.91 1.14 0.44 0.04 0.00 0.00 177.00 175.04 1whm n ILE 53 N 7.75 0.21 -1.82 0.56 -5.35 -0.54 -4.99 119.36 115.19 1whm n ILE 53 Ca 0.45 -1.02 -0.30 0.00 -0.27 0.00 0.00 62.75 61.61 1whm n ILE 53 Cb 0.47 0.79 0.16 0.00 -1.74 0.00 0.00 39.64 39.32 1whm n ILE 53 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1whm s GLY 54 N -1.93 1.70 -0.08 3.28 0.00 0.31 -4.85 107.32 105.75 1whm s GLY 54 Ca 0.28 -0.98 0.03 0.00 0.00 0.00 0.00 44.72 44.05 1whm s GLY 54 CO -0.13 -0.29 0.72 1.16 0.00 0.00 0.00 173.10 174.56 1whm n ASN 55 N -3.74 -0.56 -3.65 1.64 6.94 -0.79 -4.44 115.26 110.67 1whm n ASN 55 Ca 0.12 -1.23 -0.05 0.00 -0.02 0.00 0.00 54.58 53.40 1whm n ASN 55 Cb 0.60 0.23 -0.06 0.00 -2.36 0.00 0.00 39.78 38.18 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 0.03 -1.11 0.11 -2.53 -0.00 -1.21 -4.90 118.94 109.33 1whm s TRP 56 Ca 0.02 2.06 0.05 0.00 -0.00 0.00 0.00 56.10 58.24 1whm s TRP 56 Cb 0.10 0.63 -0.22 0.00 -0.00 0.00 0.00 33.47 33.99 1whm s TRP 56 CO -0.03 -0.57 1.26 0.22 -0.00 0.00 0.00 176.95 177.83 1whm h ASP 57 N 7.60 0.06 0.00 5.86 1.82 -1.90 -2.82 116.42 127.05 1whm h ASP 57 Ca -0.24 -0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.34 1whm h ASP 57 Cb 1.15 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.14 1whm h ASP 57 CO 0.14 1.05 0.00 0.61 -1.61 0.00 0.00 179.24 179.43 1whm n GLY 58 N 1.38 1.71 3.18 -0.78 0.00 -1.26 -2.90 105.19 106.52 1whm n GLY 58 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.17 1.04 -0.25 1.61 0.52 -1.26 -1.07 118.95 119.36 1whm s ARG 59 Ca 0.00 -1.52 -0.03 0.00 -0.52 0.00 0.00 55.73 53.67 1whm s ARG 59 Cb 0.00 0.20 0.11 0.00 0.52 0.00 0.00 34.95 35.78 1whm s ARG 59 CO 0.00 -0.30 0.23 0.12 0.02 0.00 0.00 175.30 175.38 1whm s PHE 60 N -4.05 -0.24 -1.75 -0.53 2.19 0.96 -4.86 117.98 109.70 1whm s PHE 60 Ca 0.29 -0.14 0.00 0.00 0.33 0.00 0.00 56.93 57.41 1whm s PHE 60 Cb 0.07 -0.50 0.00 0.00 -1.31 0.00 0.00 43.02 41.28 1whm s PHE 60 CO 0.06 -0.77 0.00 -0.25 1.83 0.00 0.00 175.22 176.09 1whm n ASP 61 N 5.30 -5.65 0.00 6.13 9.92 -1.26 -2.63 116.55 128.37 1whm n ASP 61 Ca -0.04 0.04 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1whm n ASP 61 Cb 0.47 -4.70 0.00 0.00 -0.64 0.00 0.00 41.12 36.25 1whm n ASP 61 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1whm n GLY 62 N -0.96 3.24 3.73 0.44 0.00 -1.26 -5.07 105.19 105.31 1whm n GLY 62 Ca -0.23 -0.90 -0.39 0.00 0.00 0.00 0.00 46.02 44.50 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 3.46 -3.81 1.61 3.14 -1.08 -4.98 118.33 116.67 1whm n VAL 63 Ca 0.00 -0.50 -0.36 0.00 -2.96 0.00 0.00 64.34 60.52 1whm n VAL 63 Cb 0.00 -1.66 -0.12 0.00 -1.06 0.00 0.00 33.84 31.01 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 -2.70 3.78 -0.08 1.45 0.74 -1.26 -0.03 119.66 121.56 1whm s GLN 64 Ca 0.68 -0.42 0.02 0.00 0.05 0.00 0.00 55.36 55.69 1whm s GLN 64 Cb -0.44 -3.34 -0.06 0.00 1.10 0.00 0.00 33.01 30.28 1whm s GLN 64 CO 0.52 -0.06 -0.05 1.28 -0.55 0.00 0.00 175.29 176.42 1whm n LEU 65 N 4.56 2.39 -4.13 3.68 4.77 -0.65 -4.90 117.00 122.73 1whm n LEU 65 Ca -0.16 -0.04 -0.38 0.00 -0.03 0.00 0.00 56.01 55.41 1whm n LEU 65 Cb 0.52 -0.20 -0.09 0.00 -2.33 0.00 0.00 43.42 41.32 1whm n LEU 65 CO 0.32 0.54 0.01 0.00 -1.33 0.00 0.00 177.39 176.93 1whm h SER 67 N 7.50 0.00 -0.87 0.00 4.64 -1.89 -2.97 113.55 119.97 1whm h SER 67 Ca -0.06 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.77 1whm h SER 67 Cb 1.00 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 62.82 1whm h SER 67 CO 0.73 0.36 0.63 0.49 -0.87 0.00 0.00 176.83 178.18 1whm n PHE 68 N -3.58 2.72 -3.75 4.77 3.72 -1.26 -4.94 117.46 115.14 1whm n PHE 68 Ca -0.00 -2.00 -0.24 0.00 -0.05 0.00 0.00 57.45 55.16 1whm n PHE 68 Cb 0.49 -1.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.02 1whm n PHE 68 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1whm s ALA 69 N -3.00 4.30 -0.30 4.37 0.00 -1.12 -4.99 121.76 121.03 1whm s ALA 69 Ca 0.52 -1.56 -0.20 0.00 0.00 0.00 0.00 51.96 50.72 1whm s ALA 69 Cb 0.42 -0.84 0.19 0.00 0.00 0.00 0.00 23.12 22.90 1whm s ALA 69 CO 0.06 -0.41 1.27 0.00 0.00 0.00 0.00 175.76 176.68 1whm n VAL 71 N 2.62 1.56 0.00 0.00 3.14 -1.09 -2.56 118.33 122.01 1whm n VAL 71 Ca -0.15 -1.42 0.00 0.00 -2.96 0.00 0.00 64.34 59.81 1whm n VAL 71 Cb 0.57 -2.25 0.00 0.00 -1.06 0.00 0.00 33.84 31.10 1whm n VAL 71 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1whm n GLU 72 N 7.37 0.00 0.00 1.45 2.13 -1.26 -4.77 120.64 125.55 1whm n GLU 72 Ca 0.48 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.30 1whm n GLU 72 Cb 0.42 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.13 1whm n GLU 72 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1whm n SER 73 N -1.19 2.60 -4.78 4.31 7.64 -1.13 0.11 113.62 121.19 1whm n SER 73 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 1whm n SER 73 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 -1.66 2.08 -0.15 0.44 2.01 -1.06 -1.78 115.64 115.51 1whm s THR 74 Ca 0.00 0.08 -0.05 0.00 0.31 0.00 0.00 61.69 62.03 1whm s THR 74 Cb 0.00 -3.05 0.07 0.00 0.01 0.00 0.00 72.50 69.53 1whm s THR 74 CO 0.00 0.02 0.29 -0.63 -0.69 0.00 0.00 174.62 173.61 1whm s ILE 75 N -1.13 -0.46 -0.32 1.82 1.01 -0.10 -1.88 121.20 120.14 1whm s ILE 75 Ca 0.53 0.23 -0.19 0.00 0.00 0.00 0.00 60.65 61.23 1whm s ILE 75 Cb -0.46 -0.51 -0.01 0.00 0.01 0.00 0.00 42.46 41.49 1whm s ILE 75 CO 0.62 0.09 0.54 -0.22 0.00 0.00 0.00 174.94 175.97 1whm s LEU 76 N 2.46 4.22 0.27 2.97 2.96 -1.26 -0.41 118.68 129.89 1whm s LEU 76 Ca 0.01 0.21 0.01 0.00 -0.22 0.00 0.00 54.13 54.14 1whm s LEU 76 Cb -0.12 -2.66 -0.03 0.00 0.50 0.00 0.00 46.19 43.88 1whm s LEU 76 CO -0.10 -0.43 0.27 -0.76 -1.32 0.00 0.00 176.35 174.01 1whm s LEU 77 N 2.43 1.27 0.26 -0.68 1.43 -0.30 -4.89 118.68 118.21 1whm s LEU 77 Ca 0.21 -1.50 -0.29 0.00 -1.03 0.00 0.00 54.13 51.52 1whm s LEU 77 Cb -0.15 0.74 -0.09 0.00 0.03 0.00 0.00 46.19 46.72 1whm s LEU 77 CO 0.12 -1.02 1.15 -2.28 0.23 0.00 0.00 176.35 174.55 1whm s HIS 78 N -3.71 3.47 0.28 0.29 2.46 -1.26 -0.75 115.29 116.06 1whm s HIS 78 Ca 0.37 1.59 0.01 0.00 0.47 0.00 0.00 55.06 57.50 1whm s HIS 78 Cb 0.03 -3.37 0.62 0.00 -0.13 0.00 0.00 32.58 29.73 1whm s HIS 78 CO 0.19 -0.89 1.74 0.97 -2.47 0.00 0.00 174.74 174.27 1whm h ILE 79 N 3.28 0.63 -0.15 0.89 6.09 -1.91 0.52 117.51 126.86 1whm h ILE 79 Ca -0.46 -0.19 0.04 0.00 -1.37 0.00 0.00 64.86 62.88 1whm h ILE 79 Cb 1.21 0.04 -0.01 0.00 0.47 0.00 0.00 36.82 38.53 1whm h ILE 79 CO 0.69 0.10 0.15 0.78 -3.07 0.00 0.00 178.15 176.80 1whm h ASN 80 N 0.54 0.00 1.32 2.19 2.35 -1.91 0.30 115.58 120.37 1whm h ASN 80 Ca 0.51 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.26 1whm h ASN 80 Cb 0.83 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.20 1whm h ASN 80 CO -0.43 0.00 -0.04 0.47 -1.65 0.00 0.00 177.43 175.78 1whm n ASP 81 N -3.97 0.61 -4.82 5.81 8.00 0.18 -4.82 116.55 117.55 1whm n ASP 81 Ca 0.01 0.52 -0.37 0.00 0.71 0.00 0.00 54.79 55.66 1whm n ASP 81 Cb 0.27 -0.66 -0.06 0.00 -0.02 0.00 0.00 41.12 40.65 1whm n ASP 81 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1whm s ILE 82 N -3.08 4.64 -0.47 0.53 1.01 0.10 -0.28 121.20 123.66 1whm s ILE 82 Ca 0.11 1.22 0.03 0.00 0.00 0.00 0.00 60.65 62.01 1whm s ILE 82 Cb 0.14 -3.87 0.13 0.00 0.01 0.00 0.00 42.46 38.87 1whm s ILE 82 CO 0.59 0.31 0.25 -0.63 0.00 0.00 0.00 174.94 175.46 1whm s ILE 83 N -1.39 1.87 0.00 2.92 1.09 0.22 -4.91 121.20 121.00 1whm s ILE 83 Ca 0.38 -2.85 0.00 0.00 -1.10 0.00 0.00 60.65 57.08 1whm s ILE 83 Cb -0.18 -2.31 0.00 0.00 -1.06 0.00 0.00 42.46 38.92 1whm s ILE 83 CO 0.21 -0.86 0.00 -0.81 -0.10 0.00 0.00 174.94 173.38 1whm n PRO 84 N 3.38 -0.75 -3.75 2.79 -0.04 -1.26 -0.25 135.00 135.11 1whm n PRO 84 Ca 0.07 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.27 1whm n PRO 84 Cb 0.33 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.63 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 -2.85 0.67 -0.21 0.54 2.02 -1.26 -4.79 118.70 112.83 1whm s GLU 85 Ca 0.00 -0.22 -0.04 0.00 0.02 0.00 0.00 54.97 54.73 1whm s GLU 85 Cb 0.00 -1.68 0.07 0.00 0.10 0.00 0.00 34.13 32.62 1whm s GLU 85 CO 0.00 -0.50 0.08 -1.12 0.02 0.00 0.00 175.26 173.73 1whm s SER 86 N 1.90 2.83 -0.79 -0.19 0.01 -1.26 -5.07 113.70 111.12 1whm s SER 86 Ca 0.02 -0.85 -0.00 0.00 1.31 0.00 0.00 55.95 56.42 1whm s SER 86 Cb -0.15 -0.42 0.20 0.00 0.21 0.00 0.00 66.02 65.86 1whm s SER 86 CO -0.07 -0.35 0.64 -0.94 0.41 0.00 0.00 173.24 172.93 1whm s SER 87 N 2.01 5.56 -0.18 2.44 1.04 -1.26 -4.89 113.70 118.42 1whm s SER 87 Ca 0.03 -3.57 -0.16 0.00 0.48 0.00 0.00 55.95 52.73 1whm s SER 87 Cb -0.16 -1.83 -0.11 0.00 0.10 0.00 0.00 66.02 64.01 1whm s SER 87 CO -0.14 -0.20 0.03 1.23 0.98 0.00 0.00 173.24 175.14 1whm h GLY 88 N 6.09 0.00 0.22 7.32 0.00 -1.98 -3.41 103.07 111.31 1whm h GLY 88 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.46 1whm h GLY 88 CO 0.79 0.00 -0.48 -2.55 0.00 0.00 0.00 176.54 174.31 1whm h PRO 89 N -1.00 -0.70 -7.17 4.80 0.11 -1.96 -3.43 132.00 122.65 1whm h PRO 89 Ca -0.18 0.05 -0.51 0.00 0.11 0.00 0.00 66.00 65.46 1whm h PRO 89 Cb 0.92 0.16 0.11 0.00 0.11 0.00 0.00 31.00 32.30 1whm h PRO 89 CO -0.11 -0.47 0.39 0.45 -0.21 0.00 0.00 178.00 178.05 1whm s SER 90 N -4.66 5.04 -0.23 -2.05 0.15 -1.26 -4.53 113.70 106.15 1whm s SER 90 Ca -0.16 2.12 -0.07 0.00 0.70 0.00 0.00 55.95 58.53 1whm s SER 90 Cb 0.07 -2.57 0.03 0.00 -1.71 0.00 0.00 66.02 61.84 1whm s SER 90 CO 0.62 -1.68 0.14 -1.20 1.20 0.00 0.00 173.24 172.33 1whm n SER 91 N -2.24 -3.49 0.00 5.45 7.64 -1.26 -4.97 113.62 114.75 1whm n SER 91 Ca 0.11 1.36 0.00 0.00 1.01 0.00 0.00 58.87 61.35 1whm n SER 91 Cb 0.51 -5.21 0.00 0.00 -1.01 0.00 0.00 64.21 58.50 1whm n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64