#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 -5.95 -3.70 1.61 7.64 -1.26 -4.96 113.62 107.00 1whm n SER 2 Ca 0.00 -0.12 -0.30 0.00 1.01 0.00 0.00 58.87 59.47 1whm n SER 2 Cb 0.00 -4.89 -0.14 0.00 -1.01 0.00 0.00 64.21 58.17 1whm n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1whm s SER 3 N -2.31 3.74 -0.42 6.43 1.04 -1.26 -5.00 113.70 115.93 1whm s SER 3 Ca 0.11 -2.21 -0.00 0.00 0.48 0.00 0.00 55.95 54.33 1whm s SER 3 Cb -0.05 -0.92 0.21 0.00 0.10 0.00 0.00 66.02 65.37 1whm s SER 3 CO 0.14 -0.33 0.97 0.61 0.98 0.00 0.00 173.24 175.61 1whm n GLY 4 N 4.09 -1.16 3.77 7.32 0.00 -1.26 -5.15 105.19 112.79 1whm n GLY 4 Ca 0.05 0.87 -0.38 0.00 0.00 0.00 0.00 46.02 46.56 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 0.56 6.41 -0.17 1.61 0.01 -1.26 -5.03 113.70 115.82 1whm s SER 5 Ca 0.27 2.41 -0.03 0.00 1.31 0.00 0.00 55.95 59.91 1whm s SER 5 Cb 0.10 -2.62 0.06 0.00 0.21 0.00 0.00 66.02 63.77 1whm s SER 5 CO -0.10 -0.76 0.04 -0.44 0.41 0.00 0.00 173.24 172.39 1whm s SER 6 N -1.07 2.62 0.00 2.44 0.01 -1.26 -5.10 113.70 111.33 1whm s SER 6 Ca 0.58 -0.68 0.00 0.00 1.31 0.00 0.00 55.95 57.16 1whm s SER 6 Cb -0.32 -0.51 0.00 0.00 0.21 0.00 0.00 66.02 65.40 1whm s SER 6 CO 0.40 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.37 1whm n GLY 7 N 5.10 3.94 3.63 3.44 0.00 -1.26 -5.09 105.19 114.95 1whm n GLY 7 Ca -0.08 -1.62 -0.47 0.00 0.00 0.00 0.00 46.02 43.85 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 -1.89 1.69 -0.04 1.61 -0.02 -1.26 -4.92 135.00 130.17 1whm n PRO 8 Ca 0.00 0.60 -0.15 0.00 -2.02 0.00 0.00 63.50 61.94 1whm n PRO 8 Cb 0.00 -2.22 -0.08 0.00 -0.02 0.00 0.00 33.50 31.18 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 4.14 0.42 -6.22 0.52 0.13 -1.99 -3.44 132.00 125.57 1whm h PRO 9 Ca -0.45 -0.31 -0.55 0.00 -0.87 0.00 0.00 66.00 63.82 1whm h PRO 9 Cb 1.30 0.05 -0.04 0.00 0.13 0.00 0.00 31.00 32.45 1whm h PRO 9 CO 0.75 0.93 0.34 -1.17 -0.23 0.00 0.00 178.00 178.63 1whm s LEU 10 N -8.75 4.31 0.08 1.56 2.96 -1.26 -5.02 118.68 112.56 1whm s LEU 10 Ca -0.14 1.45 -0.30 0.00 -0.22 0.00 0.00 54.13 54.92 1whm s LEU 10 Cb 0.05 -3.40 -0.06 0.00 0.50 0.00 0.00 46.19 43.28 1whm s LEU 10 CO 0.79 -0.28 1.18 -1.61 -1.32 0.00 0.00 176.35 175.11 1whm s GLU 11 N 1.31 4.46 0.68 1.98 2.02 -1.26 -4.98 118.70 122.92 1whm s GLU 11 Ca 0.46 1.76 -0.12 0.00 0.02 0.00 0.00 54.97 57.08 1whm s GLU 11 Cb -0.19 -3.33 0.01 0.00 0.10 0.00 0.00 34.13 30.71 1whm s GLU 11 CO 0.21 -0.19 1.07 0.42 0.02 0.00 0.00 175.26 176.79 1whm s ILE 12 N 0.79 3.80 -1.72 -1.63 -1.09 -1.26 -3.59 121.20 116.50 1whm s ILE 12 Ca 0.57 0.66 -0.01 0.00 -2.23 0.00 0.00 60.65 59.64 1whm s ILE 12 Cb -0.29 -3.29 0.00 0.00 -1.58 0.00 0.00 42.46 37.30 1whm s ILE 12 CO 0.30 -0.69 0.15 0.59 -1.23 0.00 0.00 174.94 174.06 1whm n ASN 13 N -2.89 -5.94 -4.54 3.58 4.13 -1.20 -4.98 115.26 103.41 1whm n ASN 13 Ca 0.08 -0.08 -0.26 0.00 1.68 0.00 0.00 54.58 56.00 1whm n ASN 13 Cb 0.53 -4.90 -0.10 0.00 -1.54 0.00 0.00 39.78 33.77 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 -2.22 3.73 -0.26 6.41 0.01 -1.24 -4.93 113.70 115.21 1whm s SER 14 Ca 0.07 -1.20 -0.13 0.00 1.31 0.00 0.00 55.95 56.00 1whm s SER 14 Cb -0.03 -0.35 -0.04 0.00 0.21 0.00 0.00 66.02 65.81 1whm s SER 14 CO 0.09 -0.20 0.29 -0.13 0.41 0.00 0.00 173.24 173.70 1whm s ARG 15 N -3.61 4.03 -0.03 12.44 1.81 -1.26 -1.45 118.95 130.89 1whm s ARG 15 Ca 0.32 -0.08 -0.04 0.00 -1.72 0.00 0.00 55.73 54.21 1whm s ARG 15 Cb 0.02 -3.62 0.01 0.00 -0.45 0.00 0.00 34.95 30.91 1whm s ARG 15 CO 0.16 -0.15 0.11 0.14 -0.68 0.00 0.00 175.30 174.88 1whm s VAL 16 N 1.69 0.03 0.57 3.52 -7.23 0.23 -3.59 120.40 115.62 1whm s VAL 16 Ca 0.12 -0.22 0.03 0.00 -1.81 0.00 0.00 61.98 60.11 1whm s VAL 16 Cb -0.15 -0.23 0.06 0.00 0.56 0.00 0.00 36.38 36.62 1whm s VAL 16 CO 0.09 -0.12 0.80 -0.44 -0.31 0.00 0.00 175.10 175.12 1whm s SER 17 N -0.36 5.09 -0.01 4.85 0.01 0.18 0.11 113.70 123.57 1whm s SER 17 Ca -0.04 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 56.95 1whm s SER 17 Cb -0.03 -0.48 0.01 0.00 0.21 0.00 0.00 66.02 65.73 1whm s SER 17 CO 0.00 -1.29 -0.00 -0.76 0.41 0.00 0.00 173.24 171.61 1whm s LEU 18 N -4.78 1.75 -0.79 2.44 1.43 0.10 0.81 118.68 119.65 1whm s LEU 18 Ca 0.60 -0.01 -0.25 0.00 -1.03 0.00 0.00 54.13 53.44 1whm s LEU 18 Cb -0.08 -0.07 0.05 0.00 0.03 0.00 0.00 46.19 46.11 1whm s LEU 18 CO 0.39 -0.02 1.24 -0.75 0.23 0.00 0.00 176.35 177.43 1whm s LYS 19 N 0.28 3.27 -0.20 1.70 2.20 -0.13 -0.32 119.74 126.54 1whm s LYS 19 Ca -0.02 -0.61 -0.06 0.00 -0.36 0.00 0.00 55.97 54.92 1whm s LYS 19 Cb -0.04 -4.45 -0.03 0.00 -1.51 0.00 0.00 37.83 31.80 1whm s LYS 19 CO -0.01 -2.07 0.02 0.14 -0.36 0.00 0.00 175.35 173.07 1whm s VAL 20 N 5.08 4.13 0.00 4.02 -7.23 0.14 -4.94 120.40 121.60 1whm s VAL 20 Ca 0.34 -0.25 0.00 0.00 -1.81 0.00 0.00 61.98 60.26 1whm s VAL 20 Cb -0.08 -2.87 0.00 0.00 0.56 0.00 0.00 36.38 33.98 1whm s VAL 20 CO 0.08 0.42 0.00 0.61 -0.31 0.00 0.00 175.10 175.90 1whm n GLY 21 N 4.20 1.30 0.83 2.32 0.00 -1.26 -1.23 105.19 111.35 1whm n GLY 21 Ca -0.17 0.43 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 1.89 -3.83 1.61 1.02 -1.26 -5.04 120.64 115.03 1whm n GLU 22 Ca 0.00 -3.43 -0.07 0.00 -0.02 0.00 0.00 57.16 53.64 1whm n GLU 22 Cb 0.00 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 29.71 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 -3.42 0.00 0.29 2.62 -1.32 -0.37 -5.18 115.64 108.25 1whm s THR 23 Ca 0.40 -0.95 0.09 0.00 -1.21 0.00 0.00 61.69 60.02 1whm s THR 23 Cb 0.38 -2.45 -0.04 0.00 -1.51 0.00 0.00 72.50 68.87 1whm s THR 23 CO -0.05 0.00 0.07 -0.63 -2.21 0.00 0.00 174.62 171.80 1whm s ILE 24 N -3.03 3.43 -0.10 5.08 -1.09 -1.26 0.27 121.20 124.49 1whm s ILE 24 Ca 0.14 -1.78 -0.04 0.00 -2.23 0.00 0.00 60.65 56.74 1whm s ILE 24 Cb -0.05 -2.96 0.05 0.00 -1.58 0.00 0.00 42.46 37.92 1whm s ILE 24 CO 0.08 -0.31 0.19 -1.61 -1.23 0.00 0.00 174.94 172.06 1whm s GLU 25 N -3.75 0.07 0.42 2.79 0.41 0.56 -4.87 118.70 114.34 1whm s GLU 25 Ca 0.34 0.59 -0.26 0.00 -0.41 0.00 0.00 54.97 55.23 1whm s GLU 25 Cb -0.05 -0.27 -0.08 0.00 -1.78 0.00 0.00 34.13 31.95 1whm s GLU 25 CO 0.21 -0.32 1.32 -1.12 -0.49 0.00 0.00 175.26 174.86 1whm s SER 26 N 2.32 6.18 0.35 -0.19 0.01 -1.26 0.03 113.70 121.15 1whm s SER 26 Ca 0.03 2.69 -0.14 0.00 1.31 0.00 0.00 55.95 59.83 1whm s SER 26 Cb -0.12 -2.64 0.04 0.00 0.21 0.00 0.00 66.02 63.51 1whm s SER 26 CO -0.07 -0.94 0.71 -0.83 0.41 0.00 0.00 173.24 172.52 1whm s GLY 27 N -0.74 0.47 0.20 3.44 0.00 0.30 -4.12 107.32 106.86 1whm s GLY 27 Ca 0.59 -0.80 0.07 0.00 0.00 0.00 0.00 44.72 44.58 1whm s GLY 27 CO 0.49 -0.40 0.08 -1.59 0.00 0.00 0.00 173.10 171.69 1whm s THR 28 N -2.83 4.07 0.12 0.90 2.01 0.94 0.75 115.64 121.60 1whm s THR 28 Ca 0.17 -1.39 -0.08 0.00 0.31 0.00 0.00 61.69 60.71 1whm s THR 28 Cb -0.04 -3.11 -0.06 0.00 0.01 0.00 0.00 72.50 69.30 1whm s THR 28 CO 0.12 -0.20 0.41 -0.69 -0.69 0.00 0.00 174.62 173.57 1whm s VAL 29 N -1.91 5.10 0.00 3.82 1.01 -0.53 0.10 120.40 128.00 1whm s VAL 29 Ca 0.30 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.60 1whm s VAL 29 Cb -0.09 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1whm s VAL 29 CO 0.22 0.16 0.00 2.30 0.00 0.00 0.00 175.10 177.78 1whm n ILE 30 N 0.50 0.00 -4.39 2.22 -5.35 -1.20 -3.27 119.36 107.87 1whm n ILE 30 Ca -0.05 0.00 -0.25 0.00 -0.27 0.00 0.00 62.75 62.18 1whm n ILE 30 Cb 0.52 -0.08 -0.10 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 -1.39 2.45 -0.30 4.28 5.36 -1.22 -4.97 117.98 122.18 1whm s PHE 31 Ca 0.00 -0.29 -0.11 0.00 -0.96 0.00 0.00 56.93 55.57 1whm s PHE 31 Cb 0.00 -1.12 0.19 0.00 -0.34 0.00 0.00 43.02 41.74 1whm s PHE 31 CO 0.00 0.62 1.03 0.00 -1.46 0.00 0.00 175.22 175.40 1whm s ASP 33 N 2.95 -0.02 0.65 0.00 -1.08 -0.80 -4.85 116.67 113.52 1whm s ASP 33 Ca 0.24 -0.09 -0.11 0.00 -0.52 0.00 0.00 52.55 52.07 1whm s ASP 33 Cb -0.03 0.09 -0.02 0.00 -1.46 0.00 0.00 42.92 41.50 1whm s ASP 33 CO -0.22 -0.17 1.04 0.68 0.52 0.00 0.00 175.17 177.02 1whm s VAL 34 N -2.17 4.33 0.24 1.11 -7.23 -1.26 -2.17 120.40 113.25 1whm s VAL 34 Ca 0.19 0.78 0.06 0.00 -1.81 0.00 0.00 61.98 61.20 1whm s VAL 34 Cb 0.04 -3.61 -0.03 0.00 0.56 0.00 0.00 36.38 33.34 1whm s VAL 34 CO -0.04 -0.96 0.28 -0.76 -0.31 0.00 0.00 175.10 173.30 1whm s LEU 35 N -5.29 4.07 -0.19 1.32 1.43 -1.26 -4.90 118.68 113.85 1whm s LEU 35 Ca 0.57 -0.09 -0.37 0.00 -1.03 0.00 0.00 54.13 53.21 1whm s LEU 35 Cb -0.13 -2.60 -0.14 0.00 0.03 0.00 0.00 46.19 43.35 1whm s LEU 35 CO 0.53 -0.05 1.81 -2.65 0.23 0.00 0.00 176.35 176.22 1whm n PRO 36 N -1.27 1.64 -2.22 1.29 -0.02 -1.26 -0.44 135.00 132.71 1whm n PRO 36 Ca -0.08 0.60 -0.19 0.00 -2.02 0.00 0.00 63.50 61.81 1whm n PRO 36 Cb 0.57 -2.36 -0.02 0.00 -0.02 0.00 0.00 33.50 31.67 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 4.32 -0.01 1.51 -1.23 0.00 -1.26 -4.83 105.19 103.68 1whm n GLY 37 Ca 0.25 0.00 0.03 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 -2.80 0.63 0.10 1.61 5.02 0.41 -4.83 118.16 118.30 1whm n LYS 38 Ca -0.21 -2.50 -0.05 0.00 -2.02 0.00 0.00 58.31 53.53 1whm n LYS 38 Cb 0.66 -0.58 0.06 0.00 -0.02 0.00 0.00 35.03 35.15 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 0.08 -0.08 1.97 5.08 -1.81 -3.14 114.58 117.91 1whm h GLU 39 Ca -0.15 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.02 1whm h GLU 39 Cb 1.64 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.90 1whm h GLU 39 CO 0.11 0.80 -0.44 1.03 -1.00 0.00 0.00 179.01 179.51 1whm h SER 40 N 0.05 0.18 -0.57 1.42 0.87 -1.93 -3.06 113.55 110.51 1whm h SER 40 Ca -0.02 -0.08 -0.05 0.00 -1.23 0.00 0.00 61.79 60.42 1whm h SER 40 Cb 1.34 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 63.23 1whm h SER 40 CO 0.11 0.61 0.18 -0.07 -0.53 0.00 0.00 176.83 177.12 1whm h LEU 41 N 0.15 0.83 0.00 2.23 3.38 -1.91 -3.49 115.31 116.49 1whm h LEU 41 Ca 0.01 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1whm h LEU 41 Cb 0.84 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1whm h LEU 41 CO 0.07 0.81 0.00 0.61 0.09 0.00 0.00 178.44 180.02 1whm n GLY 42 N -0.71 -0.11 2.80 0.83 0.00 -1.16 -5.05 105.19 101.79 1whm n GLY 42 Ca 0.03 -0.89 -0.30 0.00 0.00 0.00 0.00 46.02 44.86 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 -4.00 2.31 0.81 1.61 1.51 -1.26 -4.58 117.35 113.75 1whm s TYR 43 Ca 0.00 -2.34 -0.13 0.00 -1.01 0.00 0.00 57.07 53.59 1whm s TYR 43 Cb 0.00 -2.09 0.09 0.00 -0.11 0.00 0.00 41.96 39.84 1whm s TYR 43 CO 0.00 -0.85 1.20 -0.06 -1.11 0.00 0.00 175.55 174.74 1whm s PHE 44 N 0.87 1.78 -0.10 2.71 0.08 -0.92 -3.71 117.98 118.69 1whm s PHE 44 Ca 0.13 1.68 -0.09 0.00 0.12 0.00 0.00 56.93 58.77 1whm s PHE 44 Cb -0.21 -3.49 0.03 0.00 -0.57 0.00 0.00 43.02 38.79 1whm s PHE 44 CO -0.11 -2.87 0.27 0.08 -0.10 0.00 0.00 175.22 172.50 1whm s VAL 45 N -2.17 -0.01 -0.34 -0.44 1.01 0.52 -1.91 120.40 117.07 1whm s VAL 45 Ca 0.73 0.02 -0.12 0.00 0.00 0.00 0.00 61.98 62.61 1whm s VAL 45 Cb -0.29 -0.39 -0.00 0.00 0.00 0.00 0.00 36.38 35.70 1whm s VAL 45 CO 0.51 0.01 0.21 -0.83 0.00 0.00 0.00 175.10 175.00 1whm s GLY 46 N 0.30 1.93 -0.28 4.51 0.00 -1.19 -0.67 107.32 111.92 1whm s GLY 46 Ca -0.01 -1.48 -0.10 0.00 0.00 0.00 0.00 44.72 43.12 1whm s GLY 46 CO -0.01 0.78 0.16 0.14 0.00 0.00 0.00 173.10 174.16 1whm s VAL 47 N 1.65 5.01 -0.68 1.40 1.01 -0.67 -3.24 120.40 124.87 1whm s VAL 47 Ca 0.05 0.04 -0.27 0.00 0.00 0.00 0.00 61.98 61.80 1whm s VAL 47 Cb -0.18 -3.39 0.03 0.00 0.00 0.00 0.00 36.38 32.84 1whm s VAL 47 CO 0.08 0.26 1.21 -0.62 0.00 0.00 0.00 175.10 176.03 1whm s ASP 48 N 1.71 6.25 0.95 3.32 -1.08 0.29 -1.60 116.67 126.50 1whm s ASP 48 Ca 0.07 -0.34 -0.12 0.00 -0.52 0.00 0.00 52.55 51.64 1whm s ASP 48 Cb -0.16 -2.54 0.16 0.00 -1.46 0.00 0.00 42.92 38.92 1whm s ASP 48 CO 0.09 -1.68 1.09 -0.04 0.52 0.00 0.00 175.17 175.15 1whm s MET 49 N 5.29 0.81 0.03 4.34 -1.94 -0.95 -0.04 119.30 126.85 1whm s MET 49 Ca 0.36 0.87 0.07 0.00 -1.71 0.00 0.00 55.69 55.27 1whm s MET 49 Cb -0.09 -1.75 -0.23 0.00 2.01 0.00 0.00 34.83 34.76 1whm s MET 49 CO 0.18 -2.56 0.95 0.22 -0.01 0.00 0.00 175.02 173.80 1whm h ASP 50 N -1.78 0.09 -2.20 3.03 3.58 -1.91 -3.45 116.42 113.78 1whm h ASP 50 Ca -0.51 -0.13 -0.50 0.00 0.42 0.00 0.00 57.03 56.30 1whm h ASP 50 Cb 1.29 -0.03 -0.04 0.00 1.72 0.00 0.00 39.33 42.27 1whm h ASP 50 CO 0.53 1.11 -0.52 0.20 -2.88 0.00 0.00 179.24 177.69 1whm s ASN 51 N -6.55 5.61 -1.08 2.28 0.01 -1.26 -5.02 114.94 108.93 1whm s ASN 51 Ca -0.04 -0.21 -0.23 0.00 -0.71 0.00 0.00 52.86 51.67 1whm s ASN 51 Cb 0.08 -1.46 -0.06 0.00 0.41 0.00 0.00 41.25 40.22 1whm s ASN 51 CO 0.83 -0.04 1.92 -2.16 -1.51 0.00 0.00 177.10 176.14 1whm s PRO 52 N -3.85 2.61 0.00 -0.60 0.04 -1.26 -4.48 135.00 127.46 1whm s PRO 52 Ca 0.33 -0.89 0.16 0.00 0.04 0.00 0.00 61.00 60.65 1whm s PRO 52 Cb -0.08 -5.19 0.27 0.00 0.04 0.00 0.00 34.50 29.53 1whm s PRO 52 CO 0.25 -3.65 1.08 0.44 0.04 0.00 0.00 177.00 175.17 1whm n ILE 53 N 7.75 0.00 -2.57 0.56 -5.35 0.16 -4.97 119.36 114.93 1whm n ILE 53 Ca 0.43 -0.62 -0.21 0.00 -0.27 0.00 0.00 62.75 62.08 1whm n ILE 53 Cb 0.47 0.79 0.11 0.00 -1.74 0.00 0.00 39.64 39.26 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 0.31 0.64 1.19 3.28 0.00 0.30 -4.86 105.19 106.06 1whm n GLY 54 Ca -0.01 -2.02 -0.04 0.00 0.00 0.00 0.00 46.02 43.95 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 -2.92 -0.83 -3.66 1.61 6.94 -1.13 -4.44 115.26 110.83 1whm n ASN 55 Ca 0.15 -1.59 -0.20 0.00 -0.02 0.00 0.00 54.58 52.91 1whm n ASN 55 Cb 0.53 0.29 -0.17 0.00 -2.36 0.00 0.00 39.78 38.06 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 0.04 -0.38 -2.53 -0.00 -1.12 -4.93 118.94 110.05 1whm s TRP 56 Ca 0.01 0.22 0.06 0.00 -0.00 0.00 0.00 56.10 56.39 1whm s TRP 56 Cb 0.07 -0.48 0.63 0.00 -0.00 0.00 0.00 33.47 33.69 1whm s TRP 56 CO -0.02 -0.26 1.75 -3.47 -0.00 0.00 0.00 176.95 174.95 1whm n ASP 57 N 5.30 4.15 -3.56 5.86 2.03 -1.26 -1.57 116.55 127.50 1whm n ASP 57 Ca -0.04 -3.23 -0.20 0.00 0.52 0.00 0.00 54.79 51.84 1whm n ASP 57 Cb 0.50 -0.76 0.05 0.00 -0.72 0.00 0.00 41.12 40.20 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 -0.47 -0.48 3.21 0.27 0.00 -1.26 -4.56 105.19 101.90 1whm n GLY 58 Ca 0.44 0.21 -0.09 0.00 0.00 0.00 0.00 46.02 46.57 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 -5.60 0.84 -0.45 1.61 0.52 -1.26 -1.89 118.95 112.73 1whm s ARG 59 Ca 0.10 -0.88 0.02 0.00 -0.52 0.00 0.00 55.73 54.46 1whm s ARG 59 Cb -0.02 0.35 0.13 0.00 0.52 0.00 0.00 34.95 35.92 1whm s ARG 59 CO 0.78 -0.27 0.23 0.12 0.02 0.00 0.00 175.30 176.18 1whm s PHE 60 N -3.63 2.34 -1.72 -0.53 2.19 0.18 -4.79 117.98 112.03 1whm s PHE 60 Ca 0.03 -2.60 -0.00 0.00 0.33 0.00 0.00 56.93 54.69 1whm s PHE 60 Cb 0.04 -2.16 0.00 0.00 -1.31 0.00 0.00 43.02 39.59 1whm s PHE 60 CO -0.10 -0.78 0.02 -0.25 1.83 0.00 0.00 175.22 175.94 1whm n ASP 61 N 3.54 -5.76 0.00 6.13 8.00 -1.26 -3.08 116.55 124.12 1whm n ASP 61 Ca 0.07 -0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.54 1whm n ASP 61 Cb 0.35 -4.78 0.00 0.00 -0.02 0.00 0.00 41.12 36.67 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 -1.04 3.19 3.71 0.44 0.00 -1.26 -5.10 105.19 105.14 1whm n GLY 62 Ca -0.23 -0.79 -0.34 0.00 0.00 0.00 0.00 46.02 44.65 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 2.15 -0.19 1.61 0.11 -1.18 -4.95 120.40 117.95 1whm s VAL 63 Ca 0.00 0.07 -0.06 0.00 -2.93 0.00 0.00 61.98 59.06 1whm s VAL 63 Cb 0.00 -2.62 -0.03 0.00 -1.53 0.00 0.00 36.38 32.20 1whm s VAL 63 CO 0.00 -0.04 0.03 -1.58 -3.33 0.00 0.00 175.10 170.18 1whm s GLN 64 N -3.96 3.77 -0.13 1.54 2.00 -1.26 0.51 119.66 122.14 1whm s GLN 64 Ca 0.75 -0.44 -0.02 0.00 -2.00 0.00 0.00 55.36 53.64 1whm s GLN 64 Cb -0.30 -3.14 -0.07 0.00 0.80 0.00 0.00 33.01 30.30 1whm s GLN 64 CO 0.47 0.13 -0.14 1.28 -0.50 0.00 0.00 175.29 176.53 1whm n LEU 65 N 3.93 2.19 -4.28 3.68 4.77 -0.79 -4.95 117.00 121.55 1whm n LEU 65 Ca -0.17 0.02 -0.35 0.00 -0.03 0.00 0.00 56.01 55.48 1whm n LEU 65 Cb 0.52 -0.43 -0.14 0.00 -2.33 0.00 0.00 43.42 41.05 1whm n LEU 65 CO 0.33 0.55 -0.36 0.00 -1.33 0.00 0.00 177.39 176.57 1whm h SER 67 N 8.11 0.00 -0.46 0.00 0.02 -1.93 -3.14 113.55 116.15 1whm h SER 67 Ca -0.36 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.53 1whm h SER 67 Cb 1.13 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.64 1whm h SER 67 CO 0.59 0.36 0.07 0.49 -1.14 0.00 0.00 176.83 177.21 1whm n PHE 68 N -3.24 1.60 -4.22 3.45 3.01 -1.26 -4.91 117.46 111.89 1whm n PHE 68 Ca 0.02 -0.66 -0.30 0.00 1.01 0.00 0.00 57.45 57.51 1whm n PHE 68 Cb 0.64 -0.45 -0.09 0.00 -0.01 0.00 0.00 39.48 39.57 1whm n PHE 68 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1whm s ALA 69 N -2.27 3.12 -0.17 4.37 0.00 -1.19 -4.96 121.76 120.66 1whm s ALA 69 Ca 0.39 -1.14 -0.14 0.00 0.00 0.00 0.00 51.96 51.07 1whm s ALA 69 Cb 0.30 -1.08 0.05 0.00 0.00 0.00 0.00 23.12 22.40 1whm s ALA 69 CO 0.11 0.66 0.45 0.00 0.00 0.00 0.00 175.76 176.98 1whm n VAL 71 N 3.22 1.99 0.00 0.00 3.14 -0.61 -3.14 118.33 122.93 1whm n VAL 71 Ca -0.16 -1.47 0.00 0.00 -2.96 0.00 0.00 64.34 59.75 1whm n VAL 71 Cb 0.57 -2.22 0.00 0.00 -1.06 0.00 0.00 33.84 31.13 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 5.84 0.00 0.00 1.45 -0.58 -1.26 -4.71 120.64 121.38 1whm n GLU 72 Ca 0.46 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.20 1whm n GLU 72 Cb 0.28 -0.12 0.00 0.00 -0.57 0.00 0.00 31.44 31.03 1whm n GLU 72 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1whm n SER 73 N -2.00 1.51 -4.75 1.62 7.64 -1.20 0.11 113.62 116.55 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 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 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 -1.58 2.12 -0.05 0.44 2.01 -1.19 -2.23 115.64 115.16 1whm s THR 74 Ca 0.00 0.10 -0.02 0.00 0.31 0.00 0.00 61.69 62.08 1whm s THR 74 Cb 0.00 -3.06 0.03 0.00 0.01 0.00 0.00 72.50 69.48 1whm s THR 74 CO 0.00 0.02 0.03 -0.63 -0.69 0.00 0.00 174.62 173.35 1whm s ILE 75 N -0.06 0.13 -0.46 1.82 1.01 -0.63 -2.77 121.20 120.24 1whm s ILE 75 Ca 0.62 0.28 -0.26 0.00 0.00 0.00 0.00 60.65 61.29 1whm s ILE 75 Cb -0.47 -0.34 0.03 0.00 0.01 0.00 0.00 42.46 41.69 1whm s ILE 75 CO 0.48 0.22 0.96 -0.22 0.00 0.00 0.00 174.94 176.39 1whm s LEU 76 N 2.05 3.94 0.31 2.97 2.96 -1.25 -1.68 118.68 127.98 1whm s LEU 76 Ca 0.05 0.22 0.05 0.00 -0.22 0.00 0.00 54.13 54.23 1whm s LEU 76 Cb -0.12 -3.27 -0.03 0.00 0.50 0.00 0.00 46.19 43.27 1whm s LEU 76 CO -0.04 -1.07 0.23 -0.76 -1.32 0.00 0.00 176.35 173.39 1whm s LEU 77 N 3.86 1.65 0.20 -0.68 1.43 0.15 -4.86 118.68 120.43 1whm s LEU 77 Ca 0.39 -1.67 -0.30 0.00 -1.03 0.00 0.00 54.13 51.52 1whm s LEU 77 Cb -0.10 0.44 -0.08 0.00 0.03 0.00 0.00 46.19 46.49 1whm s LEU 77 CO 0.27 -1.00 1.12 -2.28 0.23 0.00 0.00 176.35 174.69 1whm s HIS 78 N -3.58 3.56 0.32 0.29 2.46 -1.26 -0.35 115.29 116.73 1whm s HIS 78 Ca 0.39 1.59 0.09 0.00 0.47 0.00 0.00 55.06 57.60 1whm s HIS 78 Cb 0.03 -3.30 0.87 0.00 -0.13 0.00 0.00 32.58 30.06 1whm s HIS 78 CO 0.23 -0.70 1.73 0.97 -2.47 0.00 0.00 174.74 174.50 1whm h ILE 79 N 3.60 0.53 -0.16 0.89 2.10 -1.90 0.75 117.51 123.32 1whm h ILE 79 Ca -0.45 -0.20 0.05 0.00 1.08 0.00 0.00 64.86 65.34 1whm h ILE 79 Cb 1.21 -0.09 -0.01 0.00 -1.09 0.00 0.00 36.82 36.85 1whm h ILE 79 CO 0.72 0.10 0.13 0.78 -1.08 0.00 0.00 178.15 178.80 1whm h ASN 80 N 0.57 0.00 1.46 2.19 2.35 -1.91 0.22 115.58 120.47 1whm h ASN 80 Ca 0.64 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.39 1whm h ASN 80 Cb 1.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.58 1whm h ASN 80 CO -0.48 0.00 0.00 0.44 -1.65 0.00 0.00 177.43 175.74 1whm h ASP 81 N 0.00 0.00 -3.72 5.81 3.32 0.15 -3.45 116.42 118.54 1whm h ASP 81 Ca 0.08 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.63 1whm h ASP 81 Cb 0.33 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 1whm h ASP 81 CO -0.00 0.00 0.18 -0.63 -1.72 0.00 0.00 179.24 177.07 1whm s ILE 82 N -3.17 4.49 -0.35 0.35 1.01 0.78 -0.96 121.20 123.34 1whm s ILE 82 Ca 0.09 1.37 0.00 0.00 0.00 0.00 0.00 60.65 62.11 1whm s ILE 82 Cb 0.10 -3.83 0.11 0.00 0.01 0.00 0.00 42.46 38.86 1whm s ILE 82 CO 0.58 0.08 0.14 -0.63 0.00 0.00 0.00 174.94 175.11 1whm s ILE 83 N -1.68 1.10 0.82 2.92 1.09 0.24 -4.92 121.20 120.76 1whm s ILE 83 Ca 0.48 -1.83 -0.14 0.00 -1.10 0.00 0.00 60.65 58.06 1whm s ILE 83 Cb -0.15 -1.81 0.20 0.00 -1.06 0.00 0.00 42.46 39.64 1whm s ILE 83 CO 0.20 -0.75 0.72 -0.81 -0.10 0.00 0.00 174.94 174.20 1whm n PRO 84 N 4.37 -2.48 -1.55 2.79 -0.04 -1.26 0.51 135.00 137.33 1whm n PRO 84 Ca 0.02 -1.15 -0.18 0.00 -0.04 0.00 0.00 63.50 62.15 1whm n PRO 84 Cb 0.39 -1.09 0.12 0.00 -0.04 0.00 0.00 33.50 32.88 1whm n PRO 84 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1whm n GLU 85 N -3.75 -0.50 -3.91 0.54 1.02 -1.24 -4.76 120.64 108.05 1whm n GLU 85 Ca 0.10 -1.58 -0.30 0.00 -0.02 0.00 0.00 57.16 55.35 1whm n GLU 85 Cb 0.39 -0.75 -0.15 0.00 -0.02 0.00 0.00 31.44 30.91 1whm n GLU 85 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1whm s SER 86 N -4.12 4.11 -0.20 1.62 0.01 -1.26 -5.10 113.70 108.77 1whm s SER 86 Ca 0.49 -1.52 -0.02 0.00 1.31 0.00 0.00 55.95 56.22 1whm s SER 86 Cb -0.02 -1.22 -0.00 0.00 0.21 0.00 0.00 66.02 64.99 1whm s SER 86 CO 0.34 -0.31 -0.10 -0.94 0.41 0.00 0.00 173.24 172.64 1whm s SER 87 N 1.32 3.91 -0.42 2.44 1.04 -1.26 -5.03 113.70 115.71 1whm s SER 87 Ca 0.02 -0.47 0.10 0.00 0.48 0.00 0.00 55.95 56.08 1whm s SER 87 Cb -0.19 -1.64 0.33 0.00 0.10 0.00 0.00 66.02 64.62 1whm s SER 87 CO -0.11 0.01 0.74 0.61 0.98 0.00 0.00 173.24 175.47 1whm n GLY 88 N 4.61 3.90 3.56 7.32 0.00 -1.26 -5.06 105.19 118.25 1whm n GLY 88 Ca -0.19 -1.90 -0.32 0.00 0.00 0.00 0.00 46.02 43.62 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 -2.46 2.63 -0.07 1.61 0.04 -1.26 -4.82 135.00 130.67 1whm s PRO 89 Ca 0.41 -0.01 -0.06 0.00 0.04 0.00 0.00 61.00 61.38 1whm s PRO 89 Cb 0.31 -4.82 -0.03 0.00 0.04 0.00 0.00 34.50 29.99 1whm s PRO 89 CO -0.09 -3.09 0.25 0.77 0.04 0.00 0.00 177.00 174.88 1whm h SER 90 N 12.47 -0.18 -5.07 6.66 0.02 -2.06 -3.49 113.55 121.90 1whm h SER 90 Ca -0.03 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1whm h SER 90 Cb 1.06 0.05 -0.04 0.00 0.14 0.00 0.00 62.40 63.60 1whm h SER 90 CO 1.22 0.26 -1.18 -1.20 -1.14 0.00 0.00 176.83 174.79 1whm n SER 91 N -4.71 -5.62 0.00 3.07 7.64 -1.26 -5.37 113.62 107.37 1whm n SER 91 Ca -0.03 1.40 0.00 0.00 1.01 0.00 0.00 58.87 61.26 1whm n SER 91 Cb 0.08 -5.30 0.00 0.00 -1.01 0.00 0.00 64.21 57.99 1whm n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64