#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whm n SER 2 N 0.00 0.76 0.04 1.61 3.41 -1.26 -4.84 113.62 113.34 1whm n SER 2 Ca 0.00 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 1whm n SER 2 Cb 0.00 0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 1whm n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1whm n SER 3 N -3.00 0.06 0.00 4.04 7.64 -1.26 -5.09 113.62 116.02 1whm n SER 3 Ca -0.26 0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.76 1whm n SER 3 Cb 1.09 0.07 0.00 0.00 -1.01 0.00 0.00 64.21 64.36 1whm n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1whm n GLY 4 N 1.98 -1.79 3.25 0.23 0.00 -1.26 -5.14 105.19 102.46 1whm n GLY 4 Ca 0.00 0.92 -0.37 0.00 0.00 0.00 0.00 46.02 46.57 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 0.00 5.15 -0.65 1.61 0.01 -1.26 -5.06 113.70 113.49 1whm s SER 5 Ca 0.00 -1.14 -0.20 0.00 1.31 0.00 0.00 55.95 55.92 1whm s SER 5 Cb 0.00 -1.82 0.10 0.00 0.21 0.00 0.00 66.02 64.51 1whm s SER 5 CO 0.00 -0.29 0.84 -0.44 0.41 0.00 0.00 173.24 173.76 1whm s SER 6 N 1.36 6.23 0.24 2.44 0.01 -1.26 -4.91 113.70 117.81 1whm s SER 6 Ca -0.02 -1.37 -0.16 0.00 1.31 0.00 0.00 55.95 55.71 1whm s SER 6 Cb -0.19 -2.35 0.01 0.00 0.21 0.00 0.00 66.02 63.70 1whm s SER 6 CO 0.01 -1.21 0.55 -0.83 0.41 0.00 0.00 173.24 172.17 1whm s GLY 7 N 3.61 0.18 0.46 3.44 0.00 -1.26 -5.15 107.32 108.60 1whm s GLY 7 Ca 0.17 -0.53 -0.23 0.00 0.00 0.00 0.00 44.72 44.14 1whm s GLY 7 CO 0.06 -0.38 0.91 -1.05 0.00 0.00 0.00 173.10 172.64 1whm n PRO 8 N -0.38 1.11 -0.05 2.90 -0.02 -1.26 -4.93 135.00 132.37 1whm n PRO 8 Ca -0.05 0.41 -0.14 0.00 -2.02 0.00 0.00 63.50 61.70 1whm n PRO 8 Cb 0.61 -1.97 -0.08 0.00 -0.02 0.00 0.00 33.50 32.04 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 1.17 0.36 -6.40 0.52 0.13 -1.99 -3.44 132.00 122.35 1whm h PRO 9 Ca -0.45 -0.22 -0.54 0.00 -0.87 0.00 0.00 66.00 63.92 1whm h PRO 9 Cb 1.35 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.49 1whm h PRO 9 CO 0.54 0.81 0.35 -1.17 -0.23 0.00 0.00 178.00 178.31 1whm s LEU 10 N -8.95 4.38 0.13 1.56 2.96 -1.26 -5.01 118.68 112.49 1whm s LEU 10 Ca -0.14 1.64 -0.30 0.00 -0.22 0.00 0.00 54.13 55.11 1whm s LEU 10 Cb 0.05 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 43.13 1whm s LEU 10 CO 0.76 -0.23 1.18 -1.61 -1.32 0.00 0.00 176.35 175.13 1whm s GLU 11 N 0.89 4.49 0.56 1.98 2.02 -1.26 -4.99 118.70 122.39 1whm s GLU 11 Ca 0.51 1.79 -0.17 0.00 0.02 0.00 0.00 54.97 57.12 1whm s GLU 11 Cb -0.21 -3.29 -0.05 0.00 0.10 0.00 0.00 34.13 30.68 1whm s GLU 11 CO 0.28 -0.13 1.07 0.42 0.02 0.00 0.00 175.26 176.91 1whm s ILE 12 N 0.40 3.67 -1.48 -1.63 -1.09 -1.26 -3.56 121.20 116.26 1whm s ILE 12 Ca 0.55 0.89 -0.05 0.00 -2.23 0.00 0.00 60.65 59.80 1whm s ILE 12 Cb -0.31 -3.36 0.01 0.00 -1.58 0.00 0.00 42.46 37.22 1whm s ILE 12 CO 0.33 -0.37 0.69 0.59 -1.23 0.00 0.00 174.94 174.95 1whm n ASN 13 N -1.67 -6.07 -4.41 3.58 4.13 -0.99 -4.96 115.26 104.88 1whm n ASN 13 Ca 0.09 -0.32 -0.23 0.00 1.68 0.00 0.00 54.58 55.80 1whm n ASN 13 Cb 0.52 -4.85 -0.11 0.00 -1.54 0.00 0.00 39.78 33.81 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 -2.83 3.16 -0.11 6.41 0.01 -1.23 -4.89 113.70 114.22 1whm s SER 14 Ca 0.34 -0.96 -0.26 0.00 1.31 0.00 0.00 55.95 56.38 1whm s SER 14 Cb -0.15 -0.23 -0.02 0.00 0.21 0.00 0.00 66.02 65.83 1whm s SER 14 CO 0.43 -0.01 0.83 -0.13 0.41 0.00 0.00 173.24 174.77 1whm s ARG 15 N -3.24 4.39 -0.13 12.44 1.81 -1.26 -0.96 118.95 132.00 1whm s ARG 15 Ca 0.24 1.06 -0.19 0.00 -1.72 0.00 0.00 55.73 55.13 1whm s ARG 15 Cb -0.05 -3.51 0.05 0.00 -0.45 0.00 0.00 34.95 30.98 1whm s ARG 15 CO 0.11 -0.16 0.48 0.14 -0.68 0.00 0.00 175.30 175.18 1whm s VAL 16 N 1.54 0.01 0.64 3.52 -7.23 -0.38 -3.76 120.40 114.75 1whm s VAL 16 Ca 0.41 -0.11 0.07 0.00 -1.81 0.00 0.00 61.98 60.54 1whm s VAL 16 Cb -0.18 -0.72 0.11 0.00 0.56 0.00 0.00 36.38 36.16 1whm s VAL 16 CO 0.17 -0.06 0.89 -0.44 -0.31 0.00 0.00 175.10 175.35 1whm s SER 17 N -0.31 4.77 -0.03 4.85 0.01 0.20 0.11 113.70 123.30 1whm s SER 17 Ca -0.05 -0.80 -0.02 0.00 1.31 0.00 0.00 55.95 56.39 1whm s SER 17 Cb -0.03 0.40 0.02 0.00 0.21 0.00 0.00 66.02 66.61 1whm s SER 17 CO 0.03 -1.60 0.07 -0.76 0.41 0.00 0.00 173.24 171.39 1whm s LEU 18 N -4.85 1.43 -0.74 2.44 1.43 -0.46 0.75 118.68 118.68 1whm s LEU 18 Ca 0.64 0.15 -0.23 0.00 -1.03 0.00 0.00 54.13 53.66 1whm s LEU 18 Cb -0.05 0.20 0.07 0.00 0.03 0.00 0.00 46.19 46.44 1whm s LEU 18 CO 0.42 -0.07 1.09 -0.75 0.23 0.00 0.00 176.35 177.26 1whm s LYS 19 N 0.44 3.23 -0.19 1.70 2.20 0.15 -1.89 119.74 125.39 1whm s LYS 19 Ca -0.03 -0.88 -0.03 0.00 -0.36 0.00 0.00 55.97 54.66 1whm s LYS 19 Cb -0.05 -4.41 -0.01 0.00 -1.51 0.00 0.00 37.83 31.85 1whm s LYS 19 CO -0.02 -1.90 -0.07 0.14 -0.36 0.00 0.00 175.35 173.14 1whm s VAL 20 N 4.25 3.37 0.00 4.02 -7.23 -0.13 -4.96 120.40 119.71 1whm s VAL 20 Ca 0.28 -0.52 0.00 0.00 -1.81 0.00 0.00 61.98 59.93 1whm s VAL 20 Cb -0.12 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.33 1whm s VAL 20 CO 0.07 0.46 0.00 0.61 -0.31 0.00 0.00 175.10 175.93 1whm n GLY 21 N 4.27 0.29 1.15 2.32 0.00 -1.26 -1.19 105.19 110.77 1whm n GLY 21 Ca -0.18 0.66 0.04 0.00 0.00 0.00 0.00 46.02 46.54 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 0.40 -3.90 1.61 1.02 -1.26 -5.08 120.64 113.42 1whm n GLU 22 Ca 0.00 -2.22 -0.09 0.00 -0.02 0.00 0.00 57.16 54.83 1whm n GLU 22 Cb 0.00 -0.47 -0.05 0.00 -0.02 0.00 0.00 31.44 30.90 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 -0.83 0.03 0.17 2.62 -1.32 -0.34 -5.18 115.64 110.81 1whm s THR 23 Ca 0.31 -1.21 0.09 0.00 -1.21 0.00 0.00 61.69 59.67 1whm s THR 23 Cb 0.34 -1.87 -0.04 0.00 -1.51 0.00 0.00 72.50 69.43 1whm s THR 23 CO -0.12 -0.16 -0.10 -0.63 -2.21 0.00 0.00 174.62 171.41 1whm s ILE 24 N -3.95 3.20 -0.12 5.08 -1.09 -1.26 -0.95 121.20 122.11 1whm s ILE 24 Ca 0.16 -1.63 -0.03 0.00 -2.23 0.00 0.00 60.65 56.92 1whm s ILE 24 Cb 0.01 -2.58 0.04 0.00 -1.58 0.00 0.00 42.46 38.35 1whm s ILE 24 CO 0.02 -0.09 0.05 -1.61 -1.23 0.00 0.00 174.94 172.08 1whm s GLU 25 N -2.78 0.23 0.27 2.79 0.41 -0.79 -4.90 118.70 113.93 1whm s GLU 25 Ca 0.25 0.03 -0.30 0.00 -0.41 0.00 0.00 54.97 54.54 1whm s GLU 25 Cb -0.09 -1.32 -0.10 0.00 -1.78 0.00 0.00 34.13 30.85 1whm s GLU 25 CO 0.15 -0.49 1.35 -1.12 -0.49 0.00 0.00 175.26 174.66 1whm s SER 26 N 2.07 6.78 0.00 -0.19 0.01 -1.26 -1.35 113.70 119.75 1whm s SER 26 Ca 0.03 2.59 0.00 0.00 1.31 0.00 0.00 55.95 59.88 1whm s SER 26 Cb -0.14 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.46 1whm s SER 26 CO -0.06 -0.58 0.00 0.61 0.41 0.00 0.00 173.24 173.62 1whm n GLY 27 N 1.71 4.18 3.17 3.44 0.00 0.29 -4.06 105.19 113.93 1whm n GLY 27 Ca 0.04 -1.07 -0.16 0.00 0.00 0.00 0.00 46.02 44.83 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 -1.71 1.02 0.24 2.61 2.01 0.08 -1.25 115.64 118.66 1whm s THR 28 Ca 0.00 -1.48 -0.14 0.00 0.31 0.00 0.00 61.69 60.38 1whm s THR 28 Cb 0.00 -1.21 -0.08 0.00 0.01 0.00 0.00 72.50 71.22 1whm s THR 28 CO 0.00 -0.40 0.64 -0.69 -0.69 0.00 0.00 174.62 173.47 1whm s VAL 29 N -1.88 4.78 0.00 3.82 1.01 -0.14 0.66 120.40 128.65 1whm s VAL 29 Ca 0.02 0.82 0.00 0.00 0.00 0.00 0.00 61.98 62.82 1whm s VAL 29 Cb -0.06 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.64 1whm s VAL 29 CO 0.01 -0.01 0.00 2.30 0.00 0.00 0.00 175.10 177.41 1whm n ILE 30 N 0.10 0.00 -5.12 2.22 -5.35 -1.21 -2.35 119.36 107.66 1whm n ILE 30 Ca -0.00 0.00 -0.30 0.00 -0.27 0.00 0.00 62.75 62.18 1whm n ILE 30 Cb 0.52 -0.03 -0.15 0.00 -1.74 0.00 0.00 39.64 38.24 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 -1.32 2.25 -0.37 4.28 2.19 -1.23 -4.95 117.98 118.83 1whm s PHE 31 Ca 0.00 -0.42 0.06 0.00 0.33 0.00 0.00 56.93 56.91 1whm s PHE 31 Cb 0.00 -1.41 0.18 0.00 -1.31 0.00 0.00 43.02 40.48 1whm s PHE 31 CO 0.00 0.02 0.57 0.00 1.83 0.00 0.00 175.22 177.64 1whm s ASP 33 N 2.03 -0.21 1.26 0.00 1.01 0.17 -4.84 116.67 116.10 1whm s ASP 33 Ca 0.14 -0.32 -0.20 0.00 0.71 0.00 0.00 52.55 52.88 1whm s ASP 33 Cb -0.07 0.46 0.31 0.00 1.01 0.00 0.00 42.92 44.63 1whm s ASP 33 CO -0.12 -0.84 1.07 0.68 0.21 0.00 0.00 175.17 176.17 1whm s VAL 34 N -3.24 1.50 0.23 -1.27 -7.23 -1.26 -1.82 120.40 107.30 1whm s VAL 34 Ca 0.11 0.00 0.09 0.00 -1.81 0.00 0.00 61.98 60.37 1whm s VAL 34 Cb -0.01 -2.39 -0.05 0.00 0.56 0.00 0.00 36.38 34.49 1whm s VAL 34 CO -0.00 0.00 -0.17 -0.76 -0.31 0.00 0.00 175.10 173.86 1whm s LEU 35 N -7.17 2.55 -0.07 1.32 1.43 -1.26 -4.80 118.68 110.69 1whm s LEU 35 Ca 0.71 -1.00 -0.37 0.00 -1.03 0.00 0.00 54.13 52.44 1whm s LEU 35 Cb -0.10 -0.86 -0.15 0.00 0.03 0.00 0.00 46.19 45.11 1whm s LEU 35 CO 0.56 -0.07 1.65 -2.65 0.23 0.00 0.00 176.35 176.08 1whm n PRO 36 N -0.38 1.57 -2.21 1.29 -0.02 -1.26 -0.50 135.00 133.49 1whm n PRO 36 Ca -0.08 0.57 -0.19 0.00 -2.02 0.00 0.00 63.50 61.78 1whm n PRO 36 Cb 0.60 -2.30 -0.03 0.00 -0.02 0.00 0.00 33.50 31.75 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 3.72 0.05 1.83 -1.23 0.00 -1.26 -4.82 105.19 103.49 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 -2.81 0.52 0.16 1.61 5.02 0.34 -4.88 118.16 118.12 1whm n LYS 38 Ca -0.22 -2.14 0.02 0.00 -2.02 0.00 0.00 58.31 53.95 1whm n LYS 38 Cb 0.66 -0.28 0.23 0.00 -0.02 0.00 0.00 35.03 35.63 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 1.23 0.00 0.00 1.97 5.08 -1.87 -3.01 114.58 117.97 1whm h GLU 39 Ca -0.28 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.98 1whm h GLU 39 Cb 1.62 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.86 1whm h GLU 39 CO 0.03 0.50 -0.47 0.77 -1.00 0.00 0.00 179.01 178.85 1whm h SER 40 N 0.00 0.00 0.53 1.42 0.02 -1.92 -3.30 113.55 110.30 1whm h SER 40 Ca -0.01 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1whm h SER 40 Cb 1.05 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.57 1whm h SER 40 CO 0.07 0.47 -0.47 -0.07 -1.14 0.00 0.00 176.83 175.68 1whm h LEU 41 N 0.00 -1.26 0.00 5.07 3.38 -1.91 -3.49 115.31 117.10 1whm h LEU 41 Ca -0.00 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1whm h LEU 41 Cb 1.07 0.41 0.00 0.00 0.09 0.00 0.00 40.66 42.23 1whm h LEU 41 CO 0.06 -0.65 0.00 0.61 0.09 0.00 0.00 178.44 178.55 1whm n GLY 42 N -1.56 -0.41 2.53 0.83 0.00 -1.24 -5.09 105.19 100.25 1whm n GLY 42 Ca -0.12 0.27 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 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 0.40 0.68 1.61 2.02 -1.26 -4.52 117.35 116.29 1whm s TYR 43 Ca 0.00 -1.11 -0.16 0.00 -0.37 0.00 0.00 57.07 55.43 1whm s TYR 43 Cb 0.00 -0.86 0.01 0.00 -0.40 0.00 0.00 41.96 40.71 1whm s TYR 43 CO 0.00 -0.84 1.20 -0.06 -1.57 0.00 0.00 175.55 174.28 1whm s PHE 44 N 1.72 2.19 -0.08 2.71 0.40 -0.75 -3.57 117.98 120.60 1whm s PHE 44 Ca 0.13 1.57 -0.05 0.00 -0.60 0.00 0.00 56.93 57.97 1whm s PHE 44 Cb -0.18 -3.46 0.04 0.00 0.51 0.00 0.00 43.02 39.92 1whm s PHE 44 CO -0.22 -2.44 0.20 0.08 0.70 0.00 0.00 175.22 173.54 1whm s VAL 45 N -1.89 -0.03 -0.42 -0.44 1.01 0.36 -0.65 120.40 118.34 1whm s VAL 45 Ca 0.75 0.12 -0.17 0.00 0.00 0.00 0.00 61.98 62.68 1whm s VAL 45 Cb -0.29 -0.31 0.02 0.00 0.00 0.00 0.00 36.38 35.80 1whm s VAL 45 CO 0.42 0.05 0.43 -0.83 0.00 0.00 0.00 175.10 175.16 1whm s GLY 46 N 0.95 1.90 -0.28 4.51 0.00 -0.42 -1.16 107.32 112.82 1whm s GLY 46 Ca -0.07 -1.53 -0.16 0.00 0.00 0.00 0.00 44.72 42.96 1whm s GLY 46 CO -0.06 1.14 0.40 0.14 0.00 0.00 0.00 173.10 174.73 1whm s VAL 47 N 2.10 5.15 -0.69 1.40 1.01 -0.10 -3.32 120.40 125.94 1whm s VAL 47 Ca 0.11 0.52 -0.24 0.00 0.00 0.00 0.00 61.98 62.37 1whm s VAL 47 Cb -0.17 -3.75 0.05 0.00 0.00 0.00 0.00 36.38 32.51 1whm s VAL 47 CO 0.13 0.09 1.10 -0.62 0.00 0.00 0.00 175.10 175.80 1whm s ASP 48 N 1.65 6.17 0.71 3.32 -1.08 0.21 -0.40 116.67 127.25 1whm s ASP 48 Ca 0.16 -0.78 -0.12 0.00 -0.52 0.00 0.00 52.55 51.29 1whm s ASP 48 Cb -0.16 -2.48 0.02 0.00 -1.46 0.00 0.00 42.92 38.84 1whm s ASP 48 CO 0.10 -1.60 1.08 -0.04 0.52 0.00 0.00 175.17 175.22 1whm s MET 49 N 4.75 2.73 0.06 4.34 -1.94 -0.81 -0.74 119.30 127.69 1whm s MET 49 Ca 0.28 1.10 0.05 0.00 -1.71 0.00 0.00 55.69 55.41 1whm s MET 49 Cb -0.13 -1.96 -0.23 0.00 2.01 0.00 0.00 34.83 34.52 1whm s MET 49 CO 0.12 -1.27 1.06 0.22 -0.01 0.00 0.00 175.02 175.13 1whm h ASP 50 N -0.65 0.11 -2.32 3.03 1.82 -1.92 -3.43 116.42 113.07 1whm h ASP 50 Ca -0.44 -0.14 -0.49 0.00 -0.39 0.00 0.00 57.03 55.57 1whm h ASP 50 Cb 1.22 -0.03 -0.02 0.00 0.68 0.00 0.00 39.33 41.18 1whm h ASP 50 CO 0.55 1.11 -0.45 0.20 -1.61 0.00 0.00 179.24 179.04 1whm s ASN 51 N -6.66 6.28 -0.96 2.28 -0.87 -1.26 -5.01 114.94 108.74 1whm s ASN 51 Ca -0.02 0.08 -0.24 0.00 -1.57 0.00 0.00 52.86 51.11 1whm s ASN 51 Cb 0.09 -1.85 -0.07 0.00 -0.02 0.00 0.00 41.25 39.40 1whm s ASN 51 CO 0.83 -0.03 1.99 -2.16 -2.57 0.00 0.00 177.10 175.17 1whm s PRO 52 N -3.72 2.41 0.00 -0.60 0.04 -1.26 -4.48 135.00 127.38 1whm s PRO 52 Ca 0.34 -0.40 0.10 0.00 0.04 0.00 0.00 61.00 61.08 1whm s PRO 52 Cb -0.10 -5.07 0.17 0.00 0.04 0.00 0.00 34.50 29.54 1whm s PRO 52 CO 0.29 -3.67 1.00 0.44 0.04 0.00 0.00 177.00 175.10 1whm n ILE 53 N 7.99 0.00 -2.53 0.56 -5.35 -0.24 -5.02 119.36 114.77 1whm n ILE 53 Ca 0.42 -0.40 -0.11 0.00 -0.27 0.00 0.00 62.75 62.39 1whm n ILE 53 Cb 0.46 0.63 0.06 0.00 -1.74 0.00 0.00 39.64 39.05 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 0.20 0.91 1.63 3.28 0.00 0.30 -4.86 105.19 106.66 1whm n GLY 54 Ca -0.06 -2.02 -0.01 0.00 0.00 0.00 0.00 46.02 43.92 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 -2.91 -0.41 -3.58 1.61 6.94 -1.22 -4.40 115.26 111.29 1whm n ASN 55 Ca 0.08 -1.22 -0.09 0.00 -0.02 0.00 0.00 54.58 53.33 1whm n ASN 55 Cb 0.30 0.18 -0.09 0.00 -2.36 0.00 0.00 39.78 37.81 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 -0.80 -0.42 -2.53 -0.00 -1.16 -4.92 118.94 109.14 1whm s TRP 56 Ca 0.02 1.36 0.04 0.00 -0.00 0.00 0.00 56.10 57.52 1whm s TRP 56 Cb 0.11 0.24 0.63 0.00 -0.00 0.00 0.00 33.47 34.44 1whm s TRP 56 CO -0.03 -0.53 1.85 -3.47 -0.00 0.00 0.00 176.95 174.77 1whm n ASP 57 N 5.38 3.75 -3.38 5.86 2.03 -1.26 -2.18 116.55 126.76 1whm n ASP 57 Ca -0.07 -3.48 -0.17 0.00 0.52 0.00 0.00 54.79 51.59 1whm n ASP 57 Cb 0.50 -0.81 0.08 0.00 -0.72 0.00 0.00 41.12 40.16 1whm n ASP 57 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1whm n GLY 58 N -0.99 -0.75 3.31 0.27 0.00 -1.26 -4.56 105.19 101.21 1whm n GLY 58 Ca 0.55 0.34 -0.11 0.00 0.00 0.00 0.00 46.02 46.80 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 -4.99 1.27 -0.29 1.61 0.52 -1.26 -0.87 118.95 114.94 1whm s ARG 59 Ca 0.23 -1.49 0.04 0.00 -0.52 0.00 0.00 55.73 53.99 1whm s ARG 59 Cb -0.03 0.33 0.18 0.00 0.52 0.00 0.00 34.95 35.95 1whm s ARG 59 CO 0.75 -0.45 0.52 0.12 0.02 0.00 0.00 175.30 176.25 1whm s PHE 60 N -4.10 -1.51 -1.72 -0.53 2.19 0.30 -4.83 117.98 107.79 1whm s PHE 60 Ca 0.32 0.82 0.00 0.00 0.33 0.00 0.00 56.93 58.40 1whm s PHE 60 Cb 0.05 0.14 0.00 0.00 -1.31 0.00 0.00 43.02 41.90 1whm s PHE 60 CO 0.10 -1.03 0.00 -0.25 1.83 0.00 0.00 175.22 175.87 1whm n ASP 61 N 5.39 -5.11 0.00 6.13 8.00 -1.26 -2.21 116.55 127.49 1whm n ASP 61 Ca 0.03 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.79 1whm n ASP 61 Cb 0.52 -4.17 0.00 0.00 -0.02 0.00 0.00 41.12 37.45 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 -0.90 1.60 3.77 0.44 0.00 -1.26 -5.08 105.19 103.76 1whm n GLY 62 Ca -0.19 -0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.38 4.15 -0.04 1.61 0.11 -0.94 -5.04 120.40 118.87 1whm s VAL 63 Ca 0.00 1.92 -0.17 0.00 -2.93 0.00 0.00 61.98 60.80 1whm s VAL 63 Cb 0.00 -4.13 -0.05 0.00 -1.53 0.00 0.00 36.38 30.67 1whm s VAL 63 CO 0.00 0.28 0.47 -1.58 -3.33 0.00 0.00 175.10 170.93 1whm s GLN 64 N -1.72 4.15 -0.06 1.54 2.00 -1.26 0.11 119.66 124.42 1whm s GLN 64 Ca 0.47 0.49 0.01 0.00 -2.00 0.00 0.00 55.36 54.32 1whm s GLN 64 Cb -0.21 -3.31 -0.04 0.00 0.80 0.00 0.00 33.01 30.24 1whm s GLN 64 CO 0.27 0.46 -0.05 1.28 -0.50 0.00 0.00 175.29 176.75 1whm n LEU 65 N 2.58 2.78 -3.76 3.68 4.77 -0.05 -4.94 117.00 122.06 1whm n LEU 65 Ca -0.10 -0.03 -0.28 0.00 -0.03 0.00 0.00 56.01 55.57 1whm n LEU 65 Cb 0.52 -0.18 -0.16 0.00 -2.33 0.00 0.00 43.42 41.26 1whm n LEU 65 CO 0.41 0.56 -0.37 0.00 -1.33 0.00 0.00 177.39 176.66 1whm h SER 67 N 8.21 0.55 0.18 0.00 0.02 -1.89 -3.00 113.55 117.62 1whm h SER 67 Ca -0.16 -0.31 -0.03 0.00 -0.84 0.00 0.00 61.79 60.44 1whm h SER 67 Cb 1.12 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.49 1whm h SER 67 CO 0.34 1.02 -0.15 -0.26 -1.14 0.00 0.00 176.83 176.64 1whm h PHE 68 N 0.36 0.00 -3.06 3.45 0.04 -1.95 -3.44 116.94 112.35 1whm h PHE 68 Ca -0.00 0.00 -0.39 0.00 2.80 0.00 0.00 57.97 60.38 1whm h PHE 68 Cb 1.15 0.00 0.22 0.00 2.20 0.00 0.00 35.95 39.51 1whm h PHE 68 CO 0.04 0.15 -0.11 0.00 -0.60 0.00 0.00 178.31 177.80 1whm s ALA 69 N -4.61 -0.74 -0.30 2.45 0.00 -1.13 -5.03 121.76 112.39 1whm s ALA 69 Ca -0.04 -0.75 -0.21 0.00 0.00 0.00 0.00 51.96 50.97 1whm s ALA 69 Cb 0.15 -2.97 0.19 0.00 0.00 0.00 0.00 23.12 20.49 1whm s ALA 69 CO 0.67 -4.55 1.28 0.00 0.00 0.00 0.00 175.76 173.16 1whm n VAL 71 N 2.47 1.67 0.00 0.00 3.14 -0.93 -2.90 118.33 121.78 1whm n VAL 71 Ca -0.14 -1.70 0.00 0.00 -2.96 0.00 0.00 64.34 59.54 1whm n VAL 71 Cb 0.57 -2.17 0.00 0.00 -1.06 0.00 0.00 33.84 31.18 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 8.10 0.00 0.01 1.45 4.07 -1.26 -4.75 120.64 128.25 1whm n GLU 72 Ca 0.45 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.55 1whm n GLU 72 Cb 0.46 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.84 1whm n GLU 72 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1whm n SER 73 N -0.76 0.05 -4.69 4.31 7.64 -1.14 0.11 113.62 119.13 1whm n SER 73 Ca 0.00 0.02 -0.43 0.00 1.01 0.00 0.00 58.87 59.48 1whm n SER 73 Cb 0.00 -0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1whm n SER 73 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1whm n THR 74 N -2.85 0.29 -3.88 0.44 -1.04 -1.16 -1.93 114.28 104.15 1whm n THR 74 Ca 0.00 -0.05 -0.28 0.00 -2.04 0.00 0.00 64.05 61.68 1whm n THR 74 Cb 0.27 -2.06 -0.16 0.00 -1.82 0.00 0.00 70.33 66.55 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 2.43 1.09 -0.32 12.58 1.01 0.47 -2.99 121.20 135.46 1whm s ILE 75 Ca 0.81 -0.62 -0.25 0.00 0.00 0.00 0.00 60.65 60.59 1whm s ILE 75 Cb -0.50 -1.27 0.01 0.00 0.01 0.00 0.00 42.46 40.71 1whm s ILE 75 CO 0.37 0.12 0.88 -0.22 0.00 0.00 0.00 174.94 176.09 1whm s LEU 76 N 1.64 4.04 0.35 2.97 2.96 -1.25 -0.92 118.68 128.47 1whm s LEU 76 Ca 0.01 0.74 -0.06 0.00 -0.22 0.00 0.00 54.13 54.60 1whm s LEU 76 Cb -0.15 -3.22 0.01 0.00 0.50 0.00 0.00 46.19 43.33 1whm s LEU 76 CO -0.08 -0.72 0.54 -0.76 -1.32 0.00 0.00 176.35 174.01 1whm s LEU 77 N 3.21 0.78 0.18 -0.68 1.43 -0.31 -4.87 118.68 118.41 1whm s LEU 77 Ca 0.36 -1.39 -0.30 0.00 -1.03 0.00 0.00 54.13 51.78 1whm s LEU 77 Cb -0.13 1.76 -0.08 0.00 0.03 0.00 0.00 46.19 47.76 1whm s LEU 77 CO 0.14 -1.37 1.22 -2.28 0.23 0.00 0.00 176.35 174.30 1whm s HIS 78 N -2.96 3.39 0.32 0.29 2.46 -1.26 -0.48 115.29 117.04 1whm s HIS 78 Ca 0.27 1.37 0.10 0.00 0.47 0.00 0.00 55.06 57.27 1whm s HIS 78 Cb -0.01 -3.47 0.90 0.00 -0.13 0.00 0.00 32.58 29.86 1whm s HIS 78 CO 0.18 -1.36 1.72 0.97 -2.47 0.00 0.00 174.74 173.78 1whm h ILE 79 N 3.77 0.49 -0.29 0.89 2.10 -1.91 0.82 117.51 123.40 1whm h ILE 79 Ca -0.44 -0.18 0.08 0.00 1.08 0.00 0.00 64.86 65.40 1whm h ILE 79 Cb 1.21 -0.07 -0.01 0.00 -1.09 0.00 0.00 36.82 36.86 1whm h ILE 79 CO 0.75 0.10 0.24 0.78 -1.08 0.00 0.00 178.15 178.94 1whm h ASN 80 N 0.52 0.00 1.41 2.19 4.21 -1.91 0.28 115.58 122.28 1whm h ASN 80 Ca 0.65 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 58.10 1whm h ASN 80 Cb 1.27 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.46 1whm h ASN 80 CO -0.50 0.00 -0.28 0.44 -1.29 0.00 0.00 177.43 175.80 1whm h ASP 81 N 0.00 0.00 -4.04 5.81 3.32 0.31 -3.45 116.42 118.37 1whm h ASP 81 Ca 0.14 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.72 1whm h ASP 81 Cb 0.61 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.18 1whm h ASP 81 CO -0.00 0.28 0.39 -0.63 -1.72 0.00 0.00 179.24 177.55 1whm s ILE 82 N -3.27 3.84 -0.36 0.35 1.01 0.97 0.33 121.20 124.07 1whm s ILE 82 Ca 0.03 1.21 0.00 0.00 0.00 0.00 0.00 60.65 61.90 1whm s ILE 82 Cb 0.08 -3.52 0.12 0.00 0.01 0.00 0.00 42.46 39.14 1whm s ILE 82 CO 0.68 -0.19 0.16 -0.63 0.00 0.00 0.00 174.94 174.97 1whm s ILE 83 N -1.92 0.94 1.03 2.92 1.01 0.23 -4.88 121.20 120.53 1whm s ILE 83 Ca 0.64 -1.81 -0.17 0.00 0.00 0.00 0.00 60.65 59.31 1whm s ILE 83 Cb -0.17 -1.69 0.26 0.00 0.01 0.00 0.00 42.46 40.87 1whm s ILE 83 CO 0.21 -0.79 0.87 -0.81 0.00 0.00 0.00 174.94 174.42 1whm n PRO 84 N 4.32 -2.96 -4.22 2.79 -0.04 -1.26 0.62 135.00 134.24 1whm n PRO 84 Ca 0.03 -1.41 -0.27 0.00 -0.04 0.00 0.00 63.50 61.82 1whm n PRO 84 Cb 0.39 -1.37 -0.17 0.00 -0.04 0.00 0.00 33.50 32.31 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 -5.00 1.75 0.00 0.54 2.12 -1.25 -4.76 118.70 112.11 1whm s GLU 85 Ca 0.58 -0.38 0.02 0.00 0.36 0.00 0.00 54.97 55.55 1whm s GLU 85 Cb -0.06 -1.61 0.03 0.00 0.26 0.00 0.00 34.13 32.74 1whm s GLU 85 CO 0.45 -0.14 0.96 0.45 -0.54 0.00 0.00 175.26 176.44 1whm n SER 86 N 4.44 -0.76 -2.70 -1.70 2.88 -1.26 -5.03 113.62 109.49 1whm n SER 86 Ca -0.17 -1.89 -0.03 0.00 -1.33 0.00 0.00 58.87 55.44 1whm n SER 86 Cb 0.51 0.23 -0.03 0.00 -0.75 0.00 0.00 64.21 64.17 1whm n SER 86 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1whm n SER 87 N 0.03 -3.66 0.00 -3.46 2.88 -1.26 -4.94 113.62 103.21 1whm n SER 87 Ca -0.23 1.32 0.00 0.00 -1.33 0.00 0.00 58.87 58.63 1whm n SER 87 Cb 0.71 -4.90 0.00 0.00 -0.75 0.00 0.00 64.21 59.27 1whm n SER 87 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1whm n GLY 88 N 1.42 -0.32 3.57 0.46 0.00 -1.26 -4.90 105.19 104.16 1whm n GLY 88 Ca -0.24 -2.22 -0.28 0.00 0.00 0.00 0.00 46.02 43.28 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 2.59 -0.31 1.61 0.04 -1.26 -4.94 135.00 132.73 1whm s PRO 89 Ca 0.00 -0.55 -0.24 0.00 0.04 0.00 0.00 61.00 60.25 1whm s PRO 89 Cb 0.00 -5.12 0.00 0.00 0.04 0.00 0.00 34.50 29.42 1whm s PRO 89 CO 0.00 -3.48 0.82 -1.54 0.04 0.00 0.00 177.00 172.84 1whm s SER 90 N 7.52 6.69 -0.25 6.66 1.04 -1.26 -4.99 113.70 129.10 1whm s SER 90 Ca 0.69 0.69 -0.28 0.00 0.48 0.00 0.00 55.95 57.52 1whm s SER 90 Cb -0.05 -2.42 0.17 0.00 0.10 0.00 0.00 66.02 63.82 1whm s SER 90 CO 0.02 -0.65 1.24 -0.94 0.98 0.00 0.00 173.24 173.89 1whm s SER 91 N 1.63 -0.18 0.00 7.02 1.04 -1.26 -4.58 113.70 117.37 1whm s SER 91 Ca 0.34 0.24 0.11 0.00 0.48 0.00 0.00 55.95 57.12 1whm s SER 91 Cb -0.14 0.21 0.09 0.00 0.10 0.00 0.00 66.02 66.28 1whm s SER 91 CO 0.13 -0.13 0.85 0.61 0.98 0.00 0.00 173.24 175.67