#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whm h SER 2 N 0.00 0.62 0.00 1.61 4.64 -2.06 -3.41 113.55 114.95 1whm h SER 2 Ca 0.00 -0.25 -0.07 0.00 -0.47 0.00 0.00 61.79 61.00 1whm h SER 2 Cb 0.00 -0.17 -0.06 0.00 -0.31 0.00 0.00 62.40 61.86 1whm h SER 2 CO 0.00 0.91 -0.12 -1.20 -0.87 0.00 0.00 176.83 175.55 1whm n SER 3 N -4.06 -0.54 0.33 4.97 7.64 -1.26 -4.98 113.62 115.71 1whm n SER 3 Ca -0.01 -1.21 -0.13 0.00 1.01 0.00 0.00 58.87 58.53 1whm n SER 3 Cb 0.48 0.22 -0.06 0.00 -1.01 0.00 0.00 64.21 63.84 1whm n SER 3 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1whm h GLY 4 N 0.22 -0.89 1.82 0.23 0.00 -2.01 -3.32 103.07 99.12 1whm h GLY 4 Ca -0.22 0.33 -0.23 0.00 0.00 0.00 0.00 47.33 47.20 1whm h GLY 4 CO -0.10 -0.32 -1.08 0.23 0.00 0.00 0.00 176.54 175.26 1whm h SER 5 N -1.02 0.21 -3.69 0.19 0.87 -1.96 -3.43 113.55 104.73 1whm h SER 5 Ca -0.09 -0.22 -0.68 0.00 -1.23 0.00 0.00 61.79 59.58 1whm h SER 5 Cb 0.65 -0.07 -0.33 0.00 -0.44 0.00 0.00 62.40 62.21 1whm h SER 5 CO 0.14 1.15 -0.73 -0.55 -0.53 0.00 0.00 176.83 176.30 1whm s SER 6 N -6.93 4.61 -0.47 6.23 0.15 -1.25 -5.01 113.70 111.03 1whm s SER 6 Ca -0.02 -1.15 0.06 0.00 0.70 0.00 0.00 55.95 55.55 1whm s SER 6 Cb 0.09 -1.67 0.23 0.00 -1.71 0.00 0.00 66.02 62.96 1whm s SER 6 CO 0.85 -0.20 0.74 0.61 1.20 0.00 0.00 173.24 176.43 1whm n GLY 7 N 4.61 0.68 3.76 9.45 0.00 -1.25 -4.26 105.19 118.18 1whm n GLY 7 Ca -0.15 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 1whm n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1whm s PRO 8 N 0.28 4.48 0.03 1.61 0.04 -1.26 -4.97 135.00 135.20 1whm s PRO 8 Ca 0.32 2.02 -0.23 0.00 0.04 0.00 0.00 61.00 63.15 1whm s PRO 8 Cb 0.16 -3.14 -0.16 0.00 0.04 0.00 0.00 34.50 31.40 1whm s PRO 8 CO -0.18 -0.04 1.43 -1.00 0.04 0.00 0.00 177.00 177.26 1whm h PRO 9 N 3.89 0.11 -6.30 0.56 0.13 -1.97 -3.43 132.00 124.99 1whm h PRO 9 Ca -0.47 -0.04 -0.55 0.00 -0.87 0.00 0.00 66.00 64.07 1whm h PRO 9 Cb 1.22 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1whm h PRO 9 CO 0.68 0.41 0.68 -1.17 -0.23 0.00 0.00 178.00 178.37 1whm s LEU 10 N -9.50 4.27 0.40 1.56 2.96 -1.26 -4.99 118.68 112.12 1whm s LEU 10 Ca -0.15 1.76 -0.27 0.00 -0.22 0.00 0.00 54.13 55.26 1whm s LEU 10 Cb 0.04 -3.56 -0.09 0.00 0.50 0.00 0.00 46.19 43.08 1whm s LEU 10 CO 0.69 -0.56 1.38 -1.61 -1.32 0.00 0.00 176.35 174.93 1whm s GLU 11 N 2.19 3.99 0.51 1.98 2.02 -1.26 -4.93 118.70 123.20 1whm s GLU 11 Ca 0.54 2.34 -0.15 0.00 0.02 0.00 0.00 54.97 57.72 1whm s GLU 11 Cb -0.23 -2.83 -0.07 0.00 0.10 0.00 0.00 34.13 31.09 1whm s GLU 11 CO 0.21 -0.54 0.97 0.42 0.02 0.00 0.00 175.26 176.33 1whm s ILE 12 N -1.19 4.58 -1.80 -1.63 -1.09 -1.26 -3.77 121.20 115.03 1whm s ILE 12 Ca 0.56 1.11 0.00 0.00 -2.23 0.00 0.00 60.65 60.08 1whm s ILE 12 Cb -0.42 -3.74 0.00 0.00 -1.58 0.00 0.00 42.46 36.72 1whm s ILE 12 CO 0.55 -0.72 0.00 -3.20 -1.23 0.00 0.00 174.94 170.33 1whm n ASN 13 N -1.69 -5.91 -4.84 3.58 5.15 0.88 -4.95 115.26 107.49 1whm n ASN 13 Ca 0.06 0.00 -0.24 0.00 -0.60 0.00 0.00 54.58 53.81 1whm n ASN 13 Cb 0.54 -4.93 -0.04 0.00 -0.53 0.00 0.00 39.78 34.82 1whm n ASN 13 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1whm s SER 14 N -2.08 4.73 -0.23 1.20 0.01 -1.25 -4.85 113.70 111.22 1whm s SER 14 Ca 0.00 -0.99 -0.07 0.00 1.31 0.00 0.00 55.95 56.21 1whm s SER 14 Cb 0.00 -0.29 -0.03 0.00 0.21 0.00 0.00 66.02 65.92 1whm s SER 14 CO 0.00 -0.73 0.05 -0.13 0.41 0.00 0.00 173.24 172.83 1whm s ARG 15 N -4.09 3.64 -0.03 12.44 1.81 -1.26 -0.01 118.95 131.44 1whm s ARG 15 Ca 0.42 -0.49 -0.07 0.00 -1.72 0.00 0.00 55.73 53.87 1whm s ARG 15 Cb -0.01 -3.25 0.01 0.00 -0.45 0.00 0.00 34.95 31.26 1whm s ARG 15 CO 0.24 -0.13 0.16 0.14 -0.68 0.00 0.00 175.30 175.03 1whm s VAL 16 N 1.42 0.04 0.66 3.52 -7.23 0.75 -4.05 120.40 115.51 1whm s VAL 16 Ca 0.05 -0.32 0.01 0.00 -1.81 0.00 0.00 61.98 59.91 1whm s VAL 16 Cb -0.15 -0.33 0.10 0.00 0.56 0.00 0.00 36.38 36.56 1whm s VAL 16 CO 0.03 -0.18 0.91 -0.44 -0.31 0.00 0.00 175.10 175.11 1whm s SER 17 N -0.59 4.69 -0.01 4.85 0.01 0.78 0.11 113.70 123.52 1whm s SER 17 Ca -0.07 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 56.91 1whm s SER 17 Cb -0.04 -0.26 0.01 0.00 0.21 0.00 0.00 66.02 65.94 1whm s SER 17 CO 0.01 -1.61 -0.01 -0.76 0.41 0.00 0.00 173.24 171.29 1whm s LEU 18 N -4.99 1.63 -0.66 2.44 1.43 0.12 0.64 118.68 119.27 1whm s LEU 18 Ca 0.63 -0.02 -0.26 0.00 -1.03 0.00 0.00 54.13 53.45 1whm s LEU 18 Cb -0.07 -0.13 0.04 0.00 0.03 0.00 0.00 46.19 46.06 1whm s LEU 18 CO 0.42 -0.03 1.14 -0.75 0.23 0.00 0.00 176.35 177.35 1whm s LYS 19 N 0.42 3.25 -0.28 1.70 2.36 -0.39 -1.42 119.74 125.38 1whm s LYS 19 Ca -0.04 -0.31 -0.05 0.00 -2.55 0.00 0.00 55.97 53.02 1whm s LYS 19 Cb -0.06 -4.14 0.01 0.00 -1.05 0.00 0.00 37.83 32.59 1whm s LYS 19 CO -0.01 -1.89 0.04 0.14 1.55 0.00 0.00 175.35 175.19 1whm s VAL 20 N 4.92 3.69 0.00 4.02 -7.23 0.64 -4.95 120.40 121.49 1whm s VAL 20 Ca 0.32 -0.78 0.00 0.00 -1.81 0.00 0.00 61.98 59.72 1whm s VAL 20 Cb -0.11 -2.90 0.00 0.00 0.56 0.00 0.00 36.38 33.93 1whm s VAL 20 CO 0.16 0.11 0.00 0.61 -0.31 0.00 0.00 175.10 175.67 1whm n GLY 21 N 4.82 0.44 1.22 2.32 0.00 -1.26 -1.32 105.19 111.40 1whm n GLY 21 Ca -0.15 0.59 0.03 0.00 0.00 0.00 0.00 46.02 46.49 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 0.93 -3.98 1.61 -0.58 -1.26 -5.07 120.64 112.29 1whm n GLU 22 Ca 0.00 -2.74 -0.10 0.00 -0.42 0.00 0.00 57.16 53.90 1whm n GLU 22 Cb 0.00 -0.88 -0.03 0.00 -0.57 0.00 0.00 31.44 29.96 1whm n GLU 22 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 1whm s THR 23 N -1.79 0.00 0.18 2.62 -1.32 -0.44 -5.18 115.64 109.71 1whm s THR 23 Ca 0.36 -1.35 0.10 0.00 -1.21 0.00 0.00 61.69 59.60 1whm s THR 23 Cb 0.38 -2.40 -0.04 0.00 -1.51 0.00 0.00 72.50 68.93 1whm s THR 23 CO -0.11 0.00 -0.22 -0.63 -2.21 0.00 0.00 174.62 171.45 1whm s ILE 24 N -3.50 2.17 -0.08 5.08 -1.09 -1.26 -0.26 121.20 122.25 1whm s ILE 24 Ca 0.22 -1.97 -0.03 0.00 -2.23 0.00 0.00 60.65 56.64 1whm s ILE 24 Cb -0.02 -2.01 0.04 0.00 -1.58 0.00 0.00 42.46 38.89 1whm s ILE 24 CO 0.12 -0.17 0.08 -1.61 -1.23 0.00 0.00 174.94 172.14 1whm s GLU 25 N -2.65 -0.02 0.56 2.79 0.41 -0.51 -4.90 118.70 114.38 1whm s GLU 25 Ca 0.18 0.28 -0.21 0.00 -0.41 0.00 0.00 54.97 54.81 1whm s GLU 25 Cb -0.07 -0.85 -0.04 0.00 -1.78 0.00 0.00 34.13 31.39 1whm s GLU 25 CO 0.09 -0.42 1.32 -1.12 -0.49 0.00 0.00 175.26 174.63 1whm s SER 26 N 2.18 5.22 0.07 -0.19 0.01 -1.26 -0.71 113.70 119.02 1whm s SER 26 Ca 0.04 2.68 -0.02 0.00 1.31 0.00 0.00 55.95 59.95 1whm s SER 26 Cb -0.13 -2.63 0.01 0.00 0.21 0.00 0.00 66.02 63.48 1whm s SER 26 CO -0.05 -1.60 0.13 0.61 0.41 0.00 0.00 173.24 172.74 1whm n GLY 27 N 0.72 2.11 3.42 3.44 0.00 0.29 -4.15 105.19 111.02 1whm n GLY 27 Ca 0.11 -1.15 -0.26 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.74 2.33 -0.19 2.61 2.01 0.20 -0.17 115.64 119.68 1whm s THR 28 Ca 0.04 -2.07 -0.12 0.00 0.31 0.00 0.00 61.69 59.85 1whm s THR 28 Cb -0.01 -2.12 -0.05 0.00 0.01 0.00 0.00 72.50 70.33 1whm s THR 28 CO 0.03 -0.16 0.23 -0.69 -0.69 0.00 0.00 174.62 173.33 1whm s VAL 29 N -1.79 5.34 0.00 3.82 1.01 0.98 0.92 120.40 130.68 1whm s VAL 29 Ca 0.21 0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.58 1whm s VAL 29 Cb -0.07 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1whm s VAL 29 CO 0.10 0.38 0.00 2.30 0.00 0.00 0.00 175.10 177.88 1whm n ILE 30 N 3.76 0.00 -4.48 2.22 -5.35 -1.18 -0.08 119.36 114.25 1whm n ILE 30 Ca -0.13 0.00 -0.29 0.00 -0.27 0.00 0.00 62.75 62.05 1whm n ILE 30 Cb 0.52 -0.38 -0.13 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 -1.54 2.35 -0.30 4.28 2.19 -1.22 -4.88 117.98 118.85 1whm s PHE 31 Ca 0.00 -0.37 -0.06 0.00 0.33 0.00 0.00 56.93 56.84 1whm s PHE 31 Cb 0.00 -1.29 0.19 0.00 -1.31 0.00 0.00 43.02 40.60 1whm s PHE 31 CO 0.00 0.30 0.81 0.00 1.83 0.00 0.00 175.22 178.17 1whm s ASP 33 N 2.90 -0.04 0.84 0.00 1.01 -0.61 -4.57 116.67 116.19 1whm s ASP 33 Ca 0.12 -0.05 -0.10 0.00 0.71 0.00 0.00 52.55 53.22 1whm s ASP 33 Cb -0.11 0.08 0.10 0.00 1.01 0.00 0.00 42.92 44.00 1whm s ASP 33 CO -0.18 -0.15 1.11 0.68 0.21 0.00 0.00 175.17 176.84 1whm s VAL 34 N -2.23 2.82 0.15 -1.27 -7.23 -1.26 -2.63 120.40 108.75 1whm s VAL 34 Ca 0.13 0.26 0.02 0.00 -1.81 0.00 0.00 61.98 60.59 1whm s VAL 34 Cb 0.04 -2.58 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 1whm s VAL 34 CO -0.05 -0.35 0.29 -0.76 -0.31 0.00 0.00 175.10 173.93 1whm s LEU 35 N -6.21 4.33 -0.21 1.32 1.43 -1.26 -4.87 118.68 113.20 1whm s LEU 35 Ca 0.63 0.21 -0.37 0.00 -1.03 0.00 0.00 54.13 53.57 1whm s LEU 35 Cb -0.19 -2.95 -0.14 0.00 0.03 0.00 0.00 46.19 42.94 1whm s LEU 35 CO 0.57 0.05 1.85 -2.65 0.23 0.00 0.00 176.35 176.40 1whm n PRO 36 N -0.48 1.57 -2.17 1.29 -0.02 -1.26 -0.51 135.00 133.42 1whm n PRO 36 Ca -0.07 0.56 -0.17 0.00 -2.02 0.00 0.00 63.50 61.81 1whm n PRO 36 Cb 0.54 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.62 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 4.54 0.08 1.77 -1.23 0.00 -1.26 -4.82 105.19 104.27 1whm n GLY 37 Ca 0.26 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.30 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 -2.71 0.87 0.19 1.61 5.02 0.33 -4.85 118.16 118.64 1whm n LYS 38 Ca -0.19 -2.69 0.03 0.00 -2.02 0.00 0.00 58.31 53.44 1whm n LYS 38 Cb 0.63 -0.77 0.39 0.00 -0.02 0.00 0.00 35.03 35.26 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 1.49 0.00 -0.06 1.97 5.08 -1.88 -2.58 114.58 118.61 1whm h GLU 39 Ca -0.14 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 1whm h GLU 39 Cb 1.60 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.84 1whm h GLU 39 CO 0.15 0.34 -0.15 1.03 -1.00 0.00 0.00 179.01 179.39 1whm h SER 40 N 0.00 0.08 0.24 1.42 0.87 -1.93 -2.96 113.55 111.28 1whm h SER 40 Ca -0.00 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1whm h SER 40 Cb 0.63 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.56 1whm h SER 40 CO 0.04 0.24 -0.16 -0.07 -0.53 0.00 0.00 176.83 176.35 1whm h LEU 41 N 0.08 -0.41 0.00 2.23 3.38 -1.85 -3.49 115.31 115.26 1whm h LEU 41 Ca 0.02 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1whm h LEU 41 Cb 0.31 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1whm h LEU 41 CO 0.02 -0.26 0.00 0.61 0.09 0.00 0.00 178.44 178.90 1whm n GLY 42 N -1.28 -0.45 2.75 0.83 0.00 -1.12 -5.05 105.19 100.87 1whm n GLY 42 Ca -0.09 0.09 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.27 0.71 1.61 2.02 -1.26 -4.60 117.35 115.56 1whm s TYR 43 Ca 0.00 -0.83 -0.16 0.00 -0.37 0.00 0.00 57.07 55.71 1whm s TYR 43 Cb 0.00 -0.42 0.03 0.00 -0.40 0.00 0.00 41.96 41.16 1whm s TYR 43 CO 0.00 -0.96 1.26 -0.06 -1.57 0.00 0.00 175.55 174.22 1whm s PHE 44 N 1.45 1.95 -0.06 2.71 0.40 -1.08 -3.67 117.98 119.67 1whm s PHE 44 Ca 0.17 1.56 -0.04 0.00 -0.60 0.00 0.00 56.93 58.02 1whm s PHE 44 Cb -0.15 -3.62 0.03 0.00 0.51 0.00 0.00 43.02 39.78 1whm s PHE 44 CO -0.04 -2.93 0.16 0.08 0.70 0.00 0.00 175.22 173.18 1whm s VAL 45 N -1.68 -0.03 -0.43 -0.44 1.01 0.81 -1.58 120.40 118.06 1whm s VAL 45 Ca 0.79 0.10 -0.20 0.00 0.00 0.00 0.00 61.98 62.67 1whm s VAL 45 Cb -0.34 -0.24 0.02 0.00 0.00 0.00 0.00 36.38 35.82 1whm s VAL 45 CO 0.44 0.04 0.59 -0.83 0.00 0.00 0.00 175.10 175.34 1whm s GLY 46 N 0.71 1.76 -0.18 4.51 0.00 -0.59 -1.05 107.32 112.48 1whm s GLY 46 Ca -0.05 -1.27 -0.14 0.00 0.00 0.00 0.00 44.72 43.25 1whm s GLY 46 CO -0.04 1.43 0.31 0.14 0.00 0.00 0.00 173.10 174.94 1whm s VAL 47 N 2.64 5.28 -0.53 1.40 1.01 0.15 -3.07 120.40 127.28 1whm s VAL 47 Ca 0.20 0.55 -0.17 0.00 0.00 0.00 0.00 61.98 62.56 1whm s VAL 47 Cb -0.15 -3.64 0.09 0.00 0.00 0.00 0.00 36.38 32.68 1whm s VAL 47 CO 0.17 0.34 0.55 -0.62 0.00 0.00 0.00 175.10 175.55 1whm s ASP 48 N 0.70 6.18 0.77 3.32 2.15 0.26 0.35 116.67 130.41 1whm s ASP 48 Ca 0.16 -1.37 -0.11 0.00 0.43 0.00 0.00 52.55 51.66 1whm s ASP 48 Cb -0.13 -2.25 0.06 0.00 -0.30 0.00 0.00 42.92 40.30 1whm s ASP 48 CO 0.05 -0.88 1.08 -0.04 -0.17 0.00 0.00 175.17 175.21 1whm s MET 49 N 2.13 2.27 0.09 4.34 -1.94 -0.69 0.60 119.30 126.10 1whm s MET 49 Ca 0.08 0.92 0.04 0.00 -1.71 0.00 0.00 55.69 55.02 1whm s MET 49 Cb -0.24 -1.92 -0.23 0.00 2.01 0.00 0.00 34.83 34.44 1whm s MET 49 CO 0.07 -1.56 1.16 0.22 -0.01 0.00 0.00 175.02 174.90 1whm h ASP 50 N -1.06 0.13 -2.42 3.03 3.58 -1.90 -3.46 116.42 114.32 1whm h ASP 50 Ca -0.45 -0.15 -0.52 0.00 0.42 0.00 0.00 57.03 56.33 1whm h ASP 50 Cb 1.24 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 42.22 1whm h ASP 50 CO 0.55 1.12 -0.47 0.20 -2.88 0.00 0.00 179.24 177.76 1whm s ASN 51 N -6.78 6.13 -1.15 2.28 -0.87 -1.26 -5.01 114.94 108.28 1whm s ASN 51 Ca -0.01 0.05 -0.23 0.00 -1.57 0.00 0.00 52.86 51.10 1whm s ASN 51 Cb 0.09 -1.77 -0.08 0.00 -0.02 0.00 0.00 41.25 39.47 1whm s ASN 51 CO 0.84 0.01 1.93 -2.16 -2.57 0.00 0.00 177.10 175.14 1whm s PRO 52 N -3.52 2.56 0.00 -0.60 0.04 -1.26 -4.48 135.00 127.75 1whm s PRO 52 Ca 0.34 -1.07 0.22 0.00 0.04 0.00 0.00 61.00 60.53 1whm s PRO 52 Cb -0.10 -5.23 0.37 0.00 0.04 0.00 0.00 34.50 29.58 1whm s PRO 52 CO 0.28 -3.83 1.14 0.44 0.04 0.00 0.00 177.00 175.07 1whm n ILE 53 N 7.76 0.00 -2.08 0.56 -5.35 -1.26 -4.94 119.36 114.05 1whm n ILE 53 Ca 0.44 -0.85 -0.02 0.00 -0.27 0.00 0.00 62.75 62.05 1whm n ILE 53 Cb 0.47 0.92 0.01 0.00 -1.74 0.00 0.00 39.64 39.30 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 0.43 0.46 1.53 3.28 0.00 -1.26 -4.83 105.19 104.80 1whm n GLY 54 Ca 0.03 -1.92 -0.01 0.00 0.00 0.00 0.00 46.02 44.13 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 -3.00 -0.28 -3.66 1.61 6.94 -1.13 -4.55 115.26 111.18 1whm n ASN 55 Ca 0.01 -1.10 -0.12 0.00 -0.02 0.00 0.00 54.58 53.35 1whm n ASN 55 Cb 0.04 0.13 -0.12 0.00 -2.36 0.00 0.00 39.78 37.46 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 -0.52 -0.37 -2.53 -0.00 -1.19 -4.94 118.94 109.41 1whm s TRP 56 Ca 0.02 1.12 0.06 0.00 -0.00 0.00 0.00 56.10 57.29 1whm s TRP 56 Cb 0.08 0.05 0.60 0.00 -0.00 0.00 0.00 33.47 34.20 1whm s TRP 56 CO -0.02 -0.39 1.72 -3.47 -0.00 0.00 0.00 176.95 174.79 1whm n ASP 57 N 5.34 4.04 -3.37 5.86 -0.08 -1.26 -3.09 116.55 123.99 1whm n ASP 57 Ca -0.07 -3.20 -0.22 0.00 -1.51 0.00 0.00 54.79 49.79 1whm n ASP 57 Cb 0.50 -0.75 0.07 0.00 2.34 0.00 0.00 41.12 43.28 1whm n ASP 57 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1whm n GLY 58 N -0.49 -0.44 3.11 0.27 0.00 -1.25 -4.67 105.19 101.73 1whm n GLY 58 Ca 0.43 0.19 -0.12 0.00 0.00 0.00 0.00 46.02 46.52 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 -6.19 0.68 -0.36 1.61 0.52 -1.26 0.10 118.95 114.05 1whm s ARG 59 Ca 0.53 -1.05 0.00 0.00 -0.52 0.00 0.00 55.73 54.69 1whm s ARG 59 Cb -0.23 -0.23 0.12 0.00 0.52 0.00 0.00 34.95 35.13 1whm s ARG 59 CO 0.68 0.01 0.17 0.12 0.02 0.00 0.00 175.30 176.30 1whm s PHE 60 N -2.54 1.59 -1.46 -0.53 5.36 0.22 -4.81 117.98 115.80 1whm s PHE 60 Ca 0.01 -1.93 -0.00 0.00 -0.96 0.00 0.00 56.93 54.05 1whm s PHE 60 Cb -0.02 -1.61 0.00 0.00 -0.34 0.00 0.00 43.02 41.04 1whm s PHE 60 CO -0.02 -0.83 0.06 -3.47 -1.46 0.00 0.00 175.22 169.49 1whm n ASP 61 N 4.27 -5.12 0.00 6.13 2.03 -1.26 -3.18 116.55 119.43 1whm n ASP 61 Ca 0.04 -0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1whm n ASP 61 Cb 0.38 -4.18 0.00 0.00 -0.72 0.00 0.00 41.12 36.61 1whm n ASP 61 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1whm n GLY 62 N -1.06 3.14 3.78 0.27 0.00 -1.26 -5.08 105.19 104.98 1whm n GLY 62 Ca -0.19 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.51 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 0.00 2.04 -0.22 1.61 0.11 -1.19 -4.95 120.40 117.80 1whm s VAL 63 Ca 0.00 0.04 -0.12 0.00 -2.93 0.00 0.00 61.98 58.97 1whm s VAL 63 Cb 0.00 -3.03 -0.05 0.00 -1.53 0.00 0.00 36.38 31.78 1whm s VAL 63 CO 0.00 0.01 0.24 -1.58 -3.33 0.00 0.00 175.10 170.44 1whm s GLN 64 N -2.10 4.13 -0.11 1.54 0.74 -1.26 0.69 119.66 123.28 1whm s GLN 64 Ca 0.53 -0.09 0.08 0.00 0.05 0.00 0.00 55.36 55.93 1whm s GLN 64 Cb -0.47 -3.52 -0.12 0.00 1.10 0.00 0.00 33.01 30.00 1whm s GLN 64 CO 0.63 0.07 0.02 1.28 -0.55 0.00 0.00 175.29 176.73 1whm n LEU 65 N 4.22 0.40 -3.70 3.68 4.77 0.28 -4.87 117.00 121.78 1whm n LEU 65 Ca -0.13 -0.01 -0.30 0.00 -0.03 0.00 0.00 56.01 55.55 1whm n LEU 65 Cb 0.52 0.16 -0.13 0.00 -2.33 0.00 0.00 43.42 41.63 1whm n LEU 65 CO 0.37 0.32 -0.26 0.00 -1.33 0.00 0.00 177.39 176.49 1whm h SER 67 N 6.86 0.07 0.21 0.00 4.64 -1.86 -1.39 113.55 122.07 1whm h SER 67 Ca -0.02 -0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.13 1whm h SER 67 Cb 0.94 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.00 1whm h SER 67 CO 0.47 0.05 -0.67 -0.26 -0.87 0.00 0.00 176.83 175.55 1whm h PHE 68 N 0.08 0.56 -3.30 4.77 0.04 -1.93 -3.45 116.94 113.72 1whm h PHE 68 Ca 0.05 -0.23 -0.53 0.00 2.80 0.00 0.00 57.97 60.06 1whm h PHE 68 Cb 0.11 -0.09 0.08 0.00 2.20 0.00 0.00 35.95 38.25 1whm h PHE 68 CO -0.00 0.97 0.87 0.00 -0.60 0.00 0.00 178.31 179.55 1whm s ALA 69 N -3.73 3.74 0.21 2.45 0.00 -0.52 -5.01 121.76 118.89 1whm s ALA 69 Ca -0.06 1.53 0.10 0.00 0.00 0.00 0.00 51.96 53.53 1whm s ALA 69 Cb 0.11 -3.64 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 1whm s ALA 69 CO 0.84 -0.94 -0.18 0.00 0.00 0.00 0.00 175.76 175.47 1whm n VAL 71 N -0.15 3.98 -2.12 0.00 3.14 -1.18 -3.22 118.33 118.78 1whm n VAL 71 Ca -0.09 -2.74 -0.01 0.00 -2.96 0.00 0.00 64.34 58.54 1whm n VAL 71 Cb 0.59 -2.14 0.01 0.00 -1.06 0.00 0.00 33.84 31.23 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 2.38 0.11 0.00 1.45 4.07 -1.26 -4.65 120.64 122.74 1whm n GLU 72 Ca 0.60 -0.16 0.00 0.00 -0.06 0.00 0.00 57.16 57.54 1whm n GLU 72 Cb 0.48 0.25 0.00 0.00 -0.06 0.00 0.00 31.44 32.11 1whm n GLU 72 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1whm n SER 73 N -0.13 0.00 -4.77 4.31 2.88 -1.24 -4.32 113.62 110.36 1whm n SER 73 Ca -0.03 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.15 1whm n SER 73 Cb 0.45 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.91 1whm n SER 73 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1whm s THR 74 N 0.00 3.10 -0.17 2.46 2.01 -1.20 -1.70 115.64 120.15 1whm s THR 74 Ca 0.00 0.76 -0.05 0.00 0.31 0.00 0.00 61.69 62.72 1whm s THR 74 Cb 0.00 -3.36 0.08 0.00 0.01 0.00 0.00 72.50 69.24 1whm s THR 74 CO 0.00 -0.07 0.30 -0.63 -0.69 0.00 0.00 174.62 173.53 1whm s ILE 75 N -1.63 -0.47 -0.35 1.82 1.01 0.15 -2.86 121.20 118.88 1whm s ILE 75 Ca 0.68 0.14 -0.21 0.00 0.00 0.00 0.00 60.65 61.26 1whm s ILE 75 Cb -0.27 -0.58 0.00 0.00 0.01 0.00 0.00 42.46 41.63 1whm s ILE 75 CO 0.32 0.02 0.68 -0.22 0.00 0.00 0.00 174.94 175.74 1whm s LEU 76 N 2.46 4.20 0.35 2.97 2.96 -1.26 0.34 118.68 130.71 1whm s LEU 76 Ca 0.04 0.26 0.04 0.00 -0.22 0.00 0.00 54.13 54.25 1whm s LEU 76 Cb -0.13 -2.87 -0.02 0.00 0.50 0.00 0.00 46.19 43.68 1whm s LEU 76 CO -0.11 -0.62 0.37 -0.76 -1.32 0.00 0.00 176.35 173.92 1whm s LEU 77 N 2.81 1.52 0.13 -0.68 1.43 -0.22 -4.87 118.68 118.80 1whm s LEU 77 Ca 0.27 -1.70 -0.30 0.00 -1.03 0.00 0.00 54.13 51.37 1whm s LEU 77 Cb -0.14 0.94 -0.07 0.00 0.03 0.00 0.00 46.19 46.95 1whm s LEU 77 CO 0.15 -1.19 1.08 -2.28 0.23 0.00 0.00 176.35 174.34 1whm s HIS 78 N -3.18 3.62 0.34 0.29 2.46 -1.26 -0.13 115.29 117.43 1whm s HIS 78 Ca 0.37 1.60 0.13 0.00 0.47 0.00 0.00 55.06 57.63 1whm s HIS 78 Cb 0.01 -3.24 0.96 0.00 -0.13 0.00 0.00 32.58 30.18 1whm s HIS 78 CO 0.26 -0.50 1.74 0.97 -2.47 0.00 0.00 174.74 174.74 1whm h ILE 79 N 3.99 0.53 -0.20 0.89 2.10 -1.91 0.83 117.51 123.73 1whm h ILE 79 Ca -0.43 -0.18 0.06 0.00 1.08 0.00 0.00 64.86 65.39 1whm h ILE 79 Cb 1.21 -0.04 -0.01 0.00 -1.09 0.00 0.00 36.82 36.90 1whm h ILE 79 CO 0.74 0.09 0.17 -1.13 -1.08 0.00 0.00 178.15 176.94 1whm h ASN 80 N 0.52 0.00 1.43 2.19 -0.73 -1.91 0.13 115.58 117.21 1whm h ASN 80 Ca 0.63 0.00 -0.11 0.00 1.87 0.00 0.00 56.30 58.70 1whm h ASN 80 Cb 1.33 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.91 1whm h ASN 80 CO -0.42 0.00 -0.58 0.44 -0.37 0.00 0.00 177.43 176.50 1whm h ASP 81 N 0.00 0.00 -4.07 1.15 3.32 0.31 -3.46 116.42 113.67 1whm h ASP 81 Ca 0.09 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.66 1whm h ASP 81 Cb 0.43 0.00 0.04 0.00 0.22 0.00 0.00 39.33 40.02 1whm h ASP 81 CO -0.00 0.49 0.40 -0.63 -1.72 0.00 0.00 179.24 177.78 1whm s ILE 82 N -2.97 3.60 -0.42 0.35 1.01 0.47 -1.26 121.20 121.97 1whm s ILE 82 Ca 0.03 1.01 0.02 0.00 0.00 0.00 0.00 60.65 61.71 1whm s ILE 82 Cb 0.08 -3.41 0.14 0.00 0.01 0.00 0.00 42.46 39.27 1whm s ILE 82 CO 0.75 -0.20 0.23 -0.63 0.00 0.00 0.00 174.94 175.09 1whm s ILE 83 N -1.90 1.14 0.11 2.92 1.01 0.21 -4.90 121.20 119.79 1whm s ILE 83 Ca 0.68 -2.38 -0.02 0.00 0.00 0.00 0.00 60.65 58.94 1whm s ILE 83 Cb -0.19 -1.80 0.03 0.00 0.01 0.00 0.00 42.46 40.51 1whm s ILE 83 CO 0.22 -0.91 0.11 -0.81 0.00 0.00 0.00 174.94 173.55 1whm n PRO 84 N 3.65 -1.00 -1.34 2.79 -0.04 -1.26 -0.16 135.00 137.63 1whm n PRO 84 Ca 0.09 -0.17 -0.04 0.00 -0.04 0.00 0.00 63.50 63.34 1whm n PRO 84 Cb 0.35 -0.15 -0.03 0.00 -0.04 0.00 0.00 33.50 33.64 1whm n PRO 84 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1whm n GLU 85 N -1.71 0.22 -4.39 0.54 2.13 -1.26 -4.77 120.64 111.39 1whm n GLU 85 Ca 0.01 -1.27 -0.23 0.00 0.66 0.00 0.00 57.16 56.34 1whm n GLU 85 Cb 0.05 0.34 -0.08 0.00 0.27 0.00 0.00 31.44 32.03 1whm n GLU 85 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1whm s SER 86 N -1.27 2.27 0.26 4.31 1.04 -1.26 -5.13 113.70 113.92 1whm s SER 86 Ca 0.08 -1.76 0.07 0.00 0.48 0.00 0.00 55.95 54.82 1whm s SER 86 Cb 0.13 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 66.80 1whm s SER 86 CO -0.05 -1.04 0.18 -0.55 0.98 0.00 0.00 173.24 172.77 1whm s SER 87 N -3.49 5.42 0.00 7.02 0.15 -1.26 -5.06 113.70 116.48 1whm s SER 87 Ca 0.32 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.68 1whm s SER 87 Cb 0.02 -1.34 0.00 0.00 -1.71 0.00 0.00 66.02 62.99 1whm s SER 87 CO 0.22 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.23 1whm n GLY 88 N -1.16 -1.84 3.74 9.45 0.00 -1.26 -5.13 105.19 108.99 1whm n GLY 88 Ca -0.07 0.80 -0.41 0.00 0.00 0.00 0.00 46.02 46.33 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 4.40 -0.24 1.61 0.04 -1.26 -5.02 135.00 134.53 1whm s PRO 89 Ca 0.00 2.04 -0.01 0.00 0.04 0.00 0.00 61.00 63.08 1whm s PRO 89 Cb 0.00 -3.19 0.07 0.00 0.04 0.00 0.00 34.50 31.42 1whm s PRO 89 CO 0.00 -0.23 0.01 0.45 0.04 0.00 0.00 177.00 177.27 1whm s SER 90 N 0.27 3.58 0.48 6.66 0.15 -1.26 -5.13 113.70 118.45 1whm s SER 90 Ca 0.56 -1.17 0.07 0.00 0.70 0.00 0.00 55.95 56.11 1whm s SER 90 Cb -0.36 -0.92 0.04 0.00 -1.71 0.00 0.00 66.02 63.06 1whm s SER 90 CO 0.39 -0.30 0.66 -0.44 1.20 0.00 0.00 173.24 174.75 1whm s SER 91 N 1.59 5.44 0.00 5.45 0.01 -1.26 -5.26 113.70 119.66 1whm s SER 91 Ca -0.01 -0.49 0.28 0.00 1.31 0.00 0.00 55.95 57.05 1whm s SER 91 Cb -0.18 -0.42 1.67 0.00 0.21 0.00 0.00 66.02 67.31 1whm s SER 91 CO -0.10 -0.98 2.02 0.61 0.41 0.00 0.00 173.24 175.19