#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 -4.23 -0.13 1.61 7.64 -1.26 -5.01 113.62 112.24 1whm n SER 2 Ca 0.00 1.38 -0.25 0.00 1.01 0.00 0.00 58.87 61.00 1whm n SER 2 Cb 0.00 -5.25 -0.10 0.00 -1.01 0.00 0.00 64.21 57.84 1whm n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1whm n SER 3 N 1.17 1.95 -2.06 6.43 2.88 -1.26 -5.02 113.62 117.71 1whm n SER 3 Ca -0.21 0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 1whm n SER 3 Cb 0.32 -0.67 0.00 0.00 -0.75 0.00 0.00 64.21 63.11 1whm n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1whm n GLY 4 N 1.63 0.50 3.78 0.46 0.00 -1.26 -5.11 105.19 105.19 1whm n GLY 4 Ca -0.51 -1.71 -0.21 0.00 0.00 0.00 0.00 46.02 43.59 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 1.51 -3.53 1.61 7.64 -1.26 -5.14 113.62 114.45 1whm n SER 5 Ca 0.00 -2.21 -0.16 0.00 1.01 0.00 0.00 58.87 57.51 1whm n SER 5 Cb 0.00 -0.57 -0.06 0.00 -1.01 0.00 0.00 64.21 62.57 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 -4.83 -0.59 -0.39 6.43 0.01 -1.26 -5.10 113.70 107.97 1whm s SER 6 Ca 0.63 0.52 0.10 0.00 1.31 0.00 0.00 55.95 58.51 1whm s SER 6 Cb -0.04 0.53 0.32 0.00 0.21 0.00 0.00 66.02 67.04 1whm s SER 6 CO 0.41 -0.66 0.75 0.61 0.41 0.00 0.00 173.24 174.76 1whm n GLY 7 N 0.71 2.96 3.42 3.44 0.00 -1.26 -5.14 105.19 109.31 1whm n GLY 7 Ca -0.19 -1.38 -0.32 0.00 0.00 0.00 0.00 46.02 44.13 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 0.56 -1.16 0.37 1.61 -0.02 -1.26 -4.95 135.00 130.14 1whm n PRO 8 Ca 0.21 -0.30 -0.15 0.00 -2.02 0.00 0.00 63.50 61.24 1whm n PRO 8 Cb 0.64 -1.94 -0.07 0.00 -0.02 0.00 0.00 33.50 32.11 1whm n PRO 8 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1whm h PRO 9 N -1.99 -0.92 -7.10 0.52 0.11 -2.01 -3.44 132.00 117.17 1whm h PRO 9 Ca -0.50 0.06 -0.56 0.00 0.11 0.00 0.00 66.00 65.11 1whm h PRO 9 Cb 1.32 0.21 0.15 0.00 0.11 0.00 0.00 31.00 32.79 1whm h PRO 9 CO 0.39 -0.61 0.53 -1.17 -0.21 0.00 0.00 178.00 176.93 1whm s LEU 10 N -8.31 3.62 -0.08 2.35 2.96 -1.26 -4.97 118.68 112.99 1whm s LEU 10 Ca -0.14 2.65 -0.21 0.00 -0.22 0.00 0.00 54.13 56.21 1whm s LEU 10 Cb 0.02 -4.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.11 1whm s LEU 10 CO 0.43 -1.93 0.60 -1.61 -1.32 0.00 0.00 176.35 172.52 1whm s GLU 11 N -3.29 4.39 0.52 1.98 2.02 -1.26 -5.02 118.70 118.03 1whm s GLU 11 Ca 0.81 0.69 -0.20 0.00 0.02 0.00 0.00 54.97 56.28 1whm s GLU 11 Cb -0.38 -3.43 -0.06 0.00 0.10 0.00 0.00 34.13 30.35 1whm s GLU 11 CO 0.41 0.13 1.12 0.42 0.02 0.00 0.00 175.26 177.36 1whm s ILE 12 N 0.64 3.26 -1.46 -1.63 -1.09 -1.26 -3.36 121.20 116.30 1whm s ILE 12 Ca 0.32 0.80 -0.07 0.00 -2.23 0.00 0.00 60.65 59.47 1whm s ILE 12 Cb -0.17 -3.34 0.01 0.00 -1.58 0.00 0.00 42.46 37.39 1whm s ILE 12 CO 0.15 -0.15 0.91 -3.20 -1.23 0.00 0.00 174.94 171.42 1whm n ASN 13 N -1.13 -6.16 -4.86 3.58 5.15 -1.13 -4.99 115.26 105.71 1whm n ASN 13 Ca 0.11 -0.44 -0.30 0.00 -0.60 0.00 0.00 54.58 53.35 1whm n ASN 13 Cb 0.51 -4.91 -0.03 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 -3.04 4.42 -0.22 1.20 0.01 -1.21 -4.89 113.70 109.96 1whm s SER 14 Ca 0.47 -1.48 -0.02 0.00 1.31 0.00 0.00 55.95 56.24 1whm s SER 14 Cb -0.21 0.61 0.02 0.00 0.21 0.00 0.00 66.02 66.65 1whm s SER 14 CO 0.58 -1.07 -0.09 -0.13 0.41 0.00 0.00 173.24 172.94 1whm s ARG 15 N -4.14 3.01 0.00 12.44 1.81 -1.26 -0.81 118.95 130.01 1whm s ARG 15 Ca 0.19 -0.85 -0.06 0.00 -1.72 0.00 0.00 55.73 53.29 1whm s ARG 15 Cb -0.01 -2.89 -0.00 0.00 -0.45 0.00 0.00 34.95 31.59 1whm s ARG 15 CO 0.12 -0.30 0.10 0.14 -0.68 0.00 0.00 175.30 174.68 1whm s VAL 16 N 1.35 0.09 0.50 3.52 -7.23 0.13 -4.24 120.40 114.52 1whm s VAL 16 Ca 0.03 -0.71 0.04 0.00 -1.81 0.00 0.00 61.98 59.53 1whm s VAL 16 Cb -0.15 -0.39 0.03 0.00 0.56 0.00 0.00 36.38 36.43 1whm s VAL 16 CO -0.06 -0.39 0.70 -0.44 -0.31 0.00 0.00 175.10 174.59 1whm s SER 17 N -1.35 5.40 0.05 4.85 0.01 0.05 0.10 113.70 122.81 1whm s SER 17 Ca -0.14 -0.21 0.02 0.00 1.31 0.00 0.00 55.95 56.93 1whm s SER 17 Cb -0.08 -0.73 -0.03 0.00 0.21 0.00 0.00 66.02 65.40 1whm s SER 17 CO 0.01 -1.01 -0.08 -0.76 0.41 0.00 0.00 173.24 171.81 1whm s LEU 18 N -4.60 2.27 -0.65 2.44 1.43 0.57 0.71 118.68 120.85 1whm s LEU 18 Ca 0.57 -0.58 -0.23 0.00 -1.03 0.00 0.00 54.13 52.86 1whm s LEU 18 Cb -0.10 -0.17 0.06 0.00 0.03 0.00 0.00 46.19 46.01 1whm s LEU 18 CO 0.36 -0.21 0.98 -0.75 0.23 0.00 0.00 176.35 176.96 1whm s LYS 19 N -1.71 3.15 -0.21 1.70 2.20 -0.97 -0.83 119.74 123.07 1whm s LYS 19 Ca -0.09 -0.71 -0.04 0.00 -0.36 0.00 0.00 55.97 54.78 1whm s LYS 19 Cb -0.09 -4.20 -0.01 0.00 -1.51 0.00 0.00 37.83 32.02 1whm s LYS 19 CO 0.00 -1.78 -0.05 0.14 -0.36 0.00 0.00 175.35 173.30 1whm s VAL 20 N 4.13 3.38 0.00 4.02 -7.23 0.58 -4.97 120.40 120.31 1whm s VAL 20 Ca 0.24 -0.50 0.00 0.00 -1.81 0.00 0.00 61.98 59.91 1whm s VAL 20 Cb -0.16 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.26 1whm s VAL 20 CO 0.12 0.44 0.00 0.61 -0.31 0.00 0.00 175.10 175.95 1whm n GLY 21 N 4.61 1.20 0.92 2.32 0.00 -1.26 -1.26 105.19 111.72 1whm n GLY 21 Ca -0.18 0.45 0.02 0.00 0.00 0.00 0.00 46.02 46.31 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 1.70 -3.81 1.61 1.02 -1.26 -5.04 120.64 114.85 1whm n GLU 22 Ca 0.00 -3.29 -0.07 0.00 -0.02 0.00 0.00 57.16 53.77 1whm n GLU 22 Cb 0.00 -1.54 -0.02 0.00 -0.02 0.00 0.00 31.44 29.86 1whm n GLU 22 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1whm s THR 23 N -3.10 0.00 0.24 2.62 2.01 -0.39 -5.18 115.64 111.84 1whm s THR 23 Ca 0.39 -0.88 0.07 0.00 0.31 0.00 0.00 61.69 61.57 1whm s THR 23 Cb 0.38 -1.90 -0.04 0.00 0.01 0.00 0.00 72.50 70.95 1whm s THR 23 CO -0.07 0.00 0.19 -0.63 -0.69 0.00 0.00 174.62 173.42 1whm s ILE 24 N -3.86 4.48 -0.08 1.82 -1.09 -1.26 -0.31 121.20 120.90 1whm s ILE 24 Ca 0.10 -1.34 -0.03 0.00 -2.23 0.00 0.00 60.65 57.15 1whm s ILE 24 Cb -0.05 -3.40 0.04 0.00 -1.58 0.00 0.00 42.46 37.48 1whm s ILE 24 CO 0.05 -0.31 0.15 -1.61 -1.23 0.00 0.00 174.94 171.99 1whm s GLU 25 N -3.71 0.02 0.43 2.79 0.41 -0.01 -4.89 118.70 113.74 1whm s GLU 25 Ca 0.33 0.54 -0.25 0.00 -0.41 0.00 0.00 54.97 55.17 1whm s GLU 25 Cb -0.08 -0.30 -0.08 0.00 -1.78 0.00 0.00 34.13 31.89 1whm s GLU 25 CO 0.25 -0.31 1.30 -1.54 -0.49 0.00 0.00 175.26 174.47 1whm s SER 26 N 2.26 6.14 0.37 -0.19 1.04 -1.26 -0.32 113.70 121.75 1whm s SER 26 Ca 0.03 2.64 -0.10 0.00 0.48 0.00 0.00 55.95 59.01 1whm s SER 26 Cb -0.12 -2.63 0.04 0.00 0.10 0.00 0.00 66.02 63.41 1whm s SER 26 CO -0.05 -0.97 0.67 0.61 0.98 0.00 0.00 173.24 174.48 1whm n GLY 27 N 0.64 1.40 3.61 7.32 0.00 0.29 -4.11 105.19 114.34 1whm n GLY 27 Ca 0.05 -1.38 -0.32 0.00 0.00 0.00 0.00 46.02 44.37 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 -2.37 3.69 0.23 2.61 2.01 -0.22 0.22 115.64 121.80 1whm s THR 28 Ca 0.20 -0.87 -0.24 0.00 0.31 0.00 0.00 61.69 61.09 1whm s THR 28 Cb -0.03 -2.65 -0.09 0.00 0.01 0.00 0.00 72.50 69.74 1whm s THR 28 CO 0.15 0.31 0.82 -0.69 -0.69 0.00 0.00 174.62 174.52 1whm s VAL 29 N -1.08 4.36 0.00 3.82 1.01 0.01 0.87 120.40 129.40 1whm s VAL 29 Ca 0.19 1.64 0.00 0.00 0.00 0.00 0.00 61.98 63.81 1whm s VAL 29 Cb -0.11 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.23 1whm s VAL 29 CO 0.10 0.33 0.00 2.30 0.00 0.00 0.00 175.10 177.83 1whm n ILE 30 N 1.06 0.00 -4.87 2.22 -5.35 -1.17 -2.86 119.36 108.39 1whm n ILE 30 Ca -0.02 0.00 -0.26 0.00 -0.27 0.00 0.00 62.75 62.20 1whm n ILE 30 Cb 0.50 -0.10 -0.16 0.00 -1.74 0.00 0.00 39.64 38.13 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 1.71 -0.29 4.28 2.19 -1.17 -4.92 117.98 118.45 1whm s PHE 31 Ca 0.00 -0.43 0.03 0.00 0.33 0.00 0.00 56.93 56.86 1whm s PHE 31 Cb 0.00 -1.13 0.18 0.00 -1.31 0.00 0.00 43.02 40.76 1whm s PHE 31 CO 0.00 -0.11 0.51 0.00 1.83 0.00 0.00 175.22 177.45 1whm n ASP 33 N 5.39 -0.64 -4.81 0.00 2.03 -0.56 -4.74 116.55 113.21 1whm n ASP 33 Ca 0.02 -1.06 -0.35 0.00 0.52 0.00 0.00 54.79 53.92 1whm n ASP 33 Cb 0.52 0.97 -0.06 0.00 -0.72 0.00 0.00 41.12 41.82 1whm n ASP 33 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1whm s VAL 34 N -2.03 4.47 0.57 5.18 -7.23 -1.26 -1.47 120.40 118.63 1whm s VAL 34 Ca 0.19 1.39 -0.10 0.00 -1.81 0.00 0.00 61.98 61.65 1whm s VAL 34 Cb -0.00 -3.81 -0.04 0.00 0.56 0.00 0.00 36.38 33.09 1whm s VAL 34 CO -0.01 0.03 0.96 -0.76 -0.31 0.00 0.00 175.10 175.01 1whm s LEU 35 N -2.39 3.37 -0.25 1.32 1.43 -1.26 -4.94 118.68 115.95 1whm s LEU 35 Ca 0.50 1.32 -0.28 0.00 -1.03 0.00 0.00 54.13 54.63 1whm s LEU 35 Cb -0.15 -4.33 -0.04 0.00 0.03 0.00 0.00 46.19 41.71 1whm s LEU 35 CO 0.20 -0.77 1.98 -2.16 0.23 0.00 0.00 176.35 175.83 1whm s PRO 36 N -4.95 3.31 -0.39 1.29 0.04 -1.26 -1.95 135.00 131.10 1whm s PRO 36 Ca 0.54 1.78 0.00 0.00 0.04 0.00 0.00 61.00 63.35 1whm s PRO 36 Cb -0.11 -4.26 0.00 0.00 0.04 0.00 0.00 34.50 30.17 1whm s PRO 36 CO 0.49 -1.89 0.00 0.41 0.04 0.00 0.00 177.00 176.06 1whm n GLY 37 N 5.48 0.27 1.53 0.56 0.00 -1.26 -4.92 105.19 106.85 1whm n GLY 37 Ca 0.26 -0.73 0.01 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.65 0.16 0.13 1.61 5.02 -0.82 -4.89 118.16 117.72 1whm n LYS 38 Ca -0.05 -1.91 0.01 0.00 -2.02 0.00 0.00 58.31 54.34 1whm n LYS 38 Cb 0.48 -0.02 0.34 0.00 -0.02 0.00 0.00 35.03 35.80 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 0.93 0.16 -0.08 1.97 5.08 -1.86 -2.52 114.58 118.27 1whm h GLU 39 Ca -0.29 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 57.96 1whm h GLU 39 Cb 1.75 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.97 1whm h GLU 39 CO 0.03 0.44 -0.21 0.77 -1.00 0.00 0.00 179.01 179.03 1whm h SER 40 N 0.15 0.12 0.66 1.42 0.02 -1.94 -3.11 113.55 110.87 1whm h SER 40 Ca 0.02 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 1whm h SER 40 Cb 0.58 -0.03 0.01 0.00 0.14 0.00 0.00 62.40 63.09 1whm h SER 40 CO 0.04 0.34 -0.32 -0.07 -1.14 0.00 0.00 176.83 175.69 1whm h LEU 41 N 0.12 -0.75 0.00 5.07 3.38 -1.84 -3.49 115.31 117.80 1whm h LEU 41 Ca 0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1whm h LEU 41 Cb 0.45 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1whm h LEU 41 CO 0.03 -0.51 0.00 0.61 0.09 0.00 0.00 178.44 178.66 1whm n GLY 42 N -1.37 -0.52 2.83 0.83 0.00 -1.18 -5.08 105.19 100.71 1whm n GLY 42 Ca -0.13 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.82 2.32 0.72 1.61 1.51 -1.26 -4.55 117.35 115.88 1whm s TYR 43 Ca 0.00 -2.07 -0.11 0.00 -1.01 0.00 0.00 57.07 53.88 1whm s TYR 43 Cb 0.00 -2.03 0.02 0.00 -0.11 0.00 0.00 41.96 39.84 1whm s TYR 43 CO 0.00 -0.88 1.07 -0.06 -1.11 0.00 0.00 175.55 174.56 1whm s PHE 44 N 1.41 3.01 -0.17 2.71 0.40 -0.54 -2.71 117.98 122.08 1whm s PHE 44 Ca 0.09 1.41 -0.15 0.00 -0.60 0.00 0.00 56.93 57.68 1whm s PHE 44 Cb -0.18 -2.93 0.05 0.00 0.51 0.00 0.00 43.02 40.47 1whm s PHE 44 CO -0.19 -1.37 0.45 0.08 0.70 0.00 0.00 175.22 174.89 1whm s VAL 45 N -3.04 -0.00 -0.25 -0.44 1.01 0.28 -1.50 120.40 116.46 1whm s VAL 45 Ca 0.59 0.01 -0.05 0.00 0.00 0.00 0.00 61.98 62.53 1whm s VAL 45 Cb -0.14 -0.63 -0.00 0.00 0.00 0.00 0.00 36.38 35.60 1whm s VAL 45 CO 0.55 0.00 0.00 -0.83 0.00 0.00 0.00 175.10 174.83 1whm s GLY 46 N 0.38 1.68 -0.21 4.51 0.00 -0.03 0.66 107.32 114.30 1whm s GLY 46 Ca -0.01 -1.27 -0.06 0.00 0.00 0.00 0.00 44.72 43.37 1whm s GLY 46 CO -0.01 0.51 0.03 0.14 0.00 0.00 0.00 173.10 173.77 1whm s VAL 47 N 1.48 4.19 -0.70 1.40 1.01 -0.96 -3.01 120.40 123.81 1whm s VAL 47 Ca 0.04 -0.23 -0.26 0.00 0.00 0.00 0.00 61.98 61.54 1whm s VAL 47 Cb -0.15 -2.91 0.04 0.00 0.00 0.00 0.00 36.38 33.36 1whm s VAL 47 CO -0.01 0.41 1.18 -0.62 0.00 0.00 0.00 175.10 176.06 1whm s ASP 48 N 1.03 6.20 1.09 3.32 2.15 0.25 -1.59 116.67 129.12 1whm s ASP 48 Ca 0.03 -0.53 -0.12 0.00 0.43 0.00 0.00 52.55 52.35 1whm s ASP 48 Cb -0.14 -2.52 0.25 0.00 -0.30 0.00 0.00 42.92 40.20 1whm s ASP 48 CO 0.02 -1.68 1.07 -0.04 -0.17 0.00 0.00 175.17 174.37 1whm s MET 49 N 5.17 -0.38 0.06 4.34 -1.94 -0.37 -1.06 119.30 125.12 1whm s MET 49 Ca 0.32 1.11 -0.13 0.00 -1.71 0.00 0.00 55.69 55.29 1whm s MET 49 Cb -0.10 -1.60 -0.29 0.00 2.01 0.00 0.00 34.83 34.85 1whm s MET 49 CO 0.15 -3.44 1.11 0.22 -0.01 0.00 0.00 175.02 173.04 1whm h ASP 50 N -2.44 0.80 -1.95 3.03 3.58 -1.90 -3.46 116.42 114.09 1whm h ASP 50 Ca -0.56 -0.76 -0.51 0.00 0.42 0.00 0.00 57.03 55.62 1whm h ASP 50 Cb 1.31 -0.25 -0.05 0.00 1.72 0.00 0.00 39.33 42.06 1whm h ASP 50 CO 0.47 1.58 -0.49 0.20 -2.88 0.00 0.00 179.24 178.11 1whm s ASN 51 N -7.40 5.20 -0.96 2.28 -0.87 -1.26 -5.03 114.94 106.90 1whm s ASN 51 Ca -0.08 -0.49 -0.24 0.00 -1.57 0.00 0.00 52.86 50.47 1whm s ASN 51 Cb 0.06 -1.02 -0.06 0.00 -0.02 0.00 0.00 41.25 40.21 1whm s ASN 51 CO 0.93 -0.25 1.95 -2.16 -2.57 0.00 0.00 177.10 175.00 1whm s PRO 52 N -3.92 2.52 0.00 -0.60 0.04 -1.26 -4.54 135.00 127.25 1whm s PRO 52 Ca 0.38 -0.46 0.17 0.00 0.04 0.00 0.00 61.00 61.14 1whm s PRO 52 Cb -0.06 -5.09 0.29 0.00 0.04 0.00 0.00 34.50 29.68 1whm s PRO 52 CO 0.25 -3.53 1.11 0.44 0.04 0.00 0.00 177.00 175.32 1whm n ILE 53 N 7.88 0.00 -2.28 0.56 -5.35 -1.25 -4.92 119.36 113.99 1whm n ILE 53 Ca 0.41 -0.67 0.00 0.00 -0.27 0.00 0.00 62.75 62.22 1whm n ILE 53 Cb 0.47 0.83 0.00 0.00 -1.74 0.00 0.00 39.64 39.20 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 0.34 1.64 2.11 3.28 0.00 -1.26 -4.78 105.19 106.52 1whm n GLY 54 Ca -0.04 -2.04 -0.02 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 -1.44 -0.63 -3.24 1.61 6.94 -1.16 -4.47 115.26 112.86 1whm n ASN 55 Ca 0.00 -1.39 -0.03 0.00 -0.02 0.00 0.00 54.58 53.13 1whm n ASN 55 Cb 0.00 0.50 -0.04 0.00 -2.36 0.00 0.00 39.78 37.89 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 -1.33 0.51 -2.53 -0.00 -1.19 -4.93 118.94 109.49 1whm s TRP 56 Ca 0.02 0.76 0.16 0.00 -0.00 0.00 0.00 56.10 57.04 1whm s TRP 56 Cb 0.07 0.09 1.24 0.00 -0.00 0.00 0.00 33.47 34.86 1whm s TRP 56 CO -0.02 -0.98 2.13 0.22 -0.00 0.00 0.00 176.95 178.30 1whm h ASP 57 N 8.09 0.00 0.00 5.86 1.82 -1.88 -3.02 116.42 127.30 1whm h ASP 57 Ca -0.08 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.56 1whm h ASP 57 Cb 1.15 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.16 1whm h ASP 57 CO 0.23 0.02 0.00 0.61 -1.61 0.00 0.00 179.24 178.49 1whm n GLY 58 N -1.47 1.10 3.41 -0.78 0.00 -1.26 -2.83 105.19 103.36 1whm n GLY 58 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 1whm n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1whm n ARG 59 N -0.05 0.51 -3.39 1.61 1.74 -1.26 0.10 116.66 115.92 1whm n ARG 59 Ca 0.00 -3.52 -0.20 0.00 -0.77 0.00 0.00 57.85 53.36 1whm n ARG 59 Cb 0.00 2.26 -0.09 0.00 -1.02 0.00 0.00 32.46 33.61 1whm n ARG 59 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1whm s PHE 60 N -3.23 0.00 -1.54 -1.55 2.19 0.24 -4.78 117.98 109.31 1whm s PHE 60 Ca 0.29 -1.08 -0.00 0.00 0.33 0.00 0.00 56.93 56.46 1whm s PHE 60 Cb 0.01 -0.55 0.00 0.00 -1.31 0.00 0.00 43.02 41.17 1whm s PHE 60 CO 0.20 -0.93 0.01 -0.25 1.83 0.00 0.00 175.22 176.08 1whm n ASP 61 N 4.14 -5.27 0.00 6.13 9.92 -1.26 -3.07 116.55 127.14 1whm n ASP 61 Ca 0.12 -0.02 0.00 0.00 -0.53 0.00 0.00 54.79 54.36 1whm n ASP 61 Cb 0.43 -4.34 0.00 0.00 -0.64 0.00 0.00 41.12 36.57 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 -1.03 3.32 3.75 0.44 0.00 -1.26 -5.08 105.19 105.33 1whm n GLY 62 Ca -0.21 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.49 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 2.27 -0.11 1.61 0.11 -1.18 -4.97 120.40 118.13 1whm s VAL 63 Ca 0.00 0.23 -0.24 0.00 -2.93 0.00 0.00 61.98 59.04 1whm s VAL 63 Cb 0.00 -3.14 -0.03 0.00 -1.53 0.00 0.00 36.38 31.68 1whm s VAL 63 CO 0.00 0.04 0.75 -1.58 -3.33 0.00 0.00 175.10 170.98 1whm s GLN 64 N -0.56 4.37 -0.23 1.54 2.00 -1.26 0.83 119.66 126.36 1whm s GLN 64 Ca 0.61 0.92 -0.05 0.00 -2.00 0.00 0.00 55.36 54.84 1whm s GLN 64 Cb -0.46 -3.50 -0.12 0.00 0.80 0.00 0.00 33.01 29.73 1whm s GLN 64 CO 0.47 -0.10 -0.25 1.28 -0.50 0.00 0.00 175.29 176.19 1whm n LEU 65 N 4.40 2.29 -3.76 3.68 4.77 0.29 -4.93 117.00 123.74 1whm n LEU 65 Ca 0.01 0.09 -0.29 0.00 -0.03 0.00 0.00 56.01 55.80 1whm n LEU 65 Cb 0.50 -0.73 -0.16 0.00 -2.33 0.00 0.00 43.42 40.71 1whm n LEU 65 CO 0.47 0.67 -0.36 0.00 -1.33 0.00 0.00 177.39 176.84 1whm h SER 67 N 8.16 0.96 -0.14 0.00 0.02 -1.87 -2.88 113.55 117.81 1whm h SER 67 Ca -0.16 -0.37 -0.02 0.00 -0.84 0.00 0.00 61.79 60.41 1whm h SER 67 Cb 1.08 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.34 1whm h SER 67 CO 0.39 1.14 0.04 -0.26 -1.14 0.00 0.00 176.83 177.00 1whm h PHE 68 N 0.81 0.30 -3.23 3.45 0.04 -1.94 -3.43 116.94 112.92 1whm h PHE 68 Ca 0.10 -0.01 -0.42 0.00 2.80 0.00 0.00 57.97 60.45 1whm h PHE 68 Cb 0.79 -0.09 0.21 0.00 2.20 0.00 0.00 35.95 39.05 1whm h PHE 68 CO 0.05 0.28 -0.01 0.00 -0.60 0.00 0.00 178.31 178.02 1whm s ALA 69 N -5.07 -0.43 0.09 2.45 0.00 -1.09 -5.02 121.76 112.68 1whm s ALA 69 Ca -0.06 -0.47 -0.26 0.00 0.00 0.00 0.00 51.96 51.17 1whm s ALA 69 Cb 0.16 -3.10 0.08 0.00 0.00 0.00 0.00 23.12 20.27 1whm s ALA 69 CO 0.72 -4.04 0.74 0.00 0.00 0.00 0.00 175.76 173.18 1whm n VAL 71 N -0.32 3.44 -2.20 0.00 3.14 -1.23 -3.25 118.33 117.91 1whm n VAL 71 Ca -0.13 -2.81 -0.01 0.00 -2.96 0.00 0.00 64.34 58.44 1whm n VAL 71 Cb 0.63 -1.73 0.01 0.00 -1.06 0.00 0.00 33.84 31.69 1whm n VAL 71 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 1whm n GLU 72 N 1.31 0.16 0.00 1.45 0.28 -1.26 -4.56 120.64 118.01 1whm n GLU 72 Ca 0.49 -0.20 0.00 0.00 -0.16 0.00 0.00 57.16 57.29 1whm n GLU 72 Cb 0.59 0.23 0.00 0.00 1.43 0.00 0.00 31.44 33.69 1whm n GLU 72 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1whm n SER 73 N -0.18 0.00 -4.76 -1.84 2.88 -1.25 -3.89 113.62 104.59 1whm n SER 73 Ca -0.04 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.10 1whm n SER 73 Cb 0.48 0.00 -0.03 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 3.21 -0.16 2.46 2.01 -1.20 -1.24 115.64 120.73 1whm s THR 74 Ca 0.00 1.17 -0.02 0.00 0.31 0.00 0.00 61.69 63.14 1whm s THR 74 Cb 0.00 -3.74 0.05 0.00 0.01 0.00 0.00 72.50 68.82 1whm s THR 74 CO 0.00 0.26 0.02 -0.63 -0.69 0.00 0.00 174.62 173.58 1whm s ILE 75 N -0.87 0.50 -0.22 1.82 1.01 -0.62 -2.99 121.20 119.82 1whm s ILE 75 Ca 0.48 -0.36 -0.29 0.00 0.00 0.00 0.00 60.65 60.48 1whm s ILE 75 Cb -0.35 -0.89 0.00 0.00 0.01 0.00 0.00 42.46 41.23 1whm s ILE 75 CO 0.44 -0.06 1.13 -0.22 0.00 0.00 0.00 174.94 176.23 1whm s LEU 76 N 1.89 4.10 0.24 2.97 2.96 -1.25 -2.27 118.68 127.31 1whm s LEU 76 Ca 0.01 1.44 -0.12 0.00 -0.22 0.00 0.00 54.13 55.24 1whm s LEU 76 Cb -0.16 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 42.99 1whm s LEU 76 CO -0.07 -0.74 0.45 -0.76 -1.32 0.00 0.00 176.35 173.91 1whm s LEU 77 N 3.39 0.39 0.27 -0.68 1.43 0.21 -4.87 118.68 118.82 1whm s LEU 77 Ca 0.48 -0.94 -0.29 0.00 -1.03 0.00 0.00 54.13 52.35 1whm s LEU 77 Cb -0.17 1.67 -0.10 0.00 0.03 0.00 0.00 46.19 47.63 1whm s LEU 77 CO 0.10 -1.11 1.24 -2.28 0.23 0.00 0.00 176.35 174.53 1whm s HIS 78 N -4.02 3.28 0.34 0.29 2.46 -1.26 1.00 115.29 117.38 1whm s HIS 78 Ca 0.23 1.45 0.11 0.00 0.47 0.00 0.00 55.06 57.33 1whm s HIS 78 Cb -0.00 -3.53 0.93 0.00 -0.13 0.00 0.00 32.58 29.85 1whm s HIS 78 CO 0.08 -1.43 1.74 0.97 -2.47 0.00 0.00 174.74 173.63 1whm h ILE 79 N 3.27 0.53 -0.20 0.89 2.10 -1.83 0.81 117.51 123.09 1whm h ILE 79 Ca -0.47 -0.19 0.06 0.00 1.08 0.00 0.00 64.86 65.34 1whm h ILE 79 Cb 1.22 -0.06 -0.01 0.00 -1.09 0.00 0.00 36.82 36.88 1whm h ILE 79 CO 0.69 0.10 0.18 0.78 -1.08 0.00 0.00 178.15 178.82 1whm h ASN 80 N 0.55 0.00 1.74 2.19 2.35 -1.91 0.22 115.58 120.71 1whm h ASN 80 Ca 0.64 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.34 1whm h ASN 80 Cb 1.29 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.65 1whm h ASN 80 CO -0.44 0.00 -0.20 0.44 -1.65 0.00 0.00 177.43 175.58 1whm h ASP 81 N 0.00 0.00 -3.91 5.81 5.19 0.29 -3.45 116.42 120.35 1whm h ASP 81 Ca 0.10 0.00 -0.49 0.00 -0.62 0.00 0.00 57.03 56.01 1whm h ASP 81 Cb 0.45 0.00 0.02 0.00 0.18 0.00 0.00 39.33 39.99 1whm h ASP 81 CO -0.00 0.20 0.45 -0.63 -3.12 0.00 0.00 179.24 176.14 1whm s ILE 82 N -3.14 3.54 -0.45 0.35 1.01 0.77 -2.30 121.20 120.98 1whm s ILE 82 Ca 0.05 1.32 0.02 0.00 0.00 0.00 0.00 60.65 62.05 1whm s ILE 82 Cb 0.06 -3.75 0.13 0.00 0.01 0.00 0.00 42.46 38.92 1whm s ILE 82 CO 0.69 0.14 0.24 -0.63 0.00 0.00 0.00 174.94 175.38 1whm s ILE 83 N -1.45 1.51 0.00 2.92 1.01 0.22 -4.93 121.20 120.49 1whm s ILE 83 Ca 0.53 -2.62 0.00 0.00 0.00 0.00 0.00 60.65 58.56 1whm s ILE 83 Cb -0.27 -2.06 0.00 0.00 0.01 0.00 0.00 42.46 40.14 1whm s ILE 83 CO 0.34 -0.88 0.00 -0.81 0.00 0.00 0.00 174.94 173.58 1whm n PRO 84 N 3.51 -0.39 -3.49 2.79 -0.04 -1.26 -0.77 135.00 135.35 1whm n PRO 84 Ca 0.08 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.12 1whm n PRO 84 Cb 0.34 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.76 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 -2.45 3.31 -0.03 0.54 8.01 -1.26 -4.80 118.70 122.02 1whm s GLU 85 Ca 0.00 -2.67 -0.07 0.00 0.01 0.00 0.00 54.97 52.23 1whm s GLU 85 Cb 0.00 -4.17 -0.03 0.00 -4.31 0.00 0.00 34.13 25.62 1whm s GLU 85 CO 0.00 -1.25 -0.15 0.45 0.01 0.00 0.00 175.26 174.33 1whm n SER 86 N 3.47 1.41 -3.58 -0.19 2.88 -1.26 -5.13 113.62 111.22 1whm n SER 86 Ca 0.14 0.21 -0.05 0.00 -1.33 0.00 0.00 58.87 57.84 1whm n SER 86 Cb 0.42 -0.50 -0.02 0.00 -0.75 0.00 0.00 64.21 63.36 1whm n SER 86 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1whm s SER 87 N -5.97 -0.17 0.00 -3.46 1.04 -1.26 -5.17 113.70 98.71 1whm s SER 87 Ca -0.13 0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.31 1whm s SER 87 Cb 0.02 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.32 1whm s SER 87 CO 0.18 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.73 1whm n GLY 88 N -0.10 3.48 3.68 7.32 0.00 -1.26 -5.09 105.19 113.22 1whm n GLY 88 Ca -0.01 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 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 -3.44 4.26 -0.48 1.61 0.04 -1.26 -4.91 135.00 130.81 1whm s PRO 89 Ca 0.00 2.01 0.03 0.00 0.04 0.00 0.00 61.00 63.08 1whm s PRO 89 Cb 0.00 -3.64 0.62 0.00 0.04 0.00 0.00 34.50 31.52 1whm s PRO 89 CO 0.00 -0.64 1.91 -1.13 0.04 0.00 0.00 177.00 177.18 1whm n SER 90 N 5.71 4.43 -4.53 6.66 3.41 -1.26 -4.95 113.62 123.08 1whm n SER 90 Ca 0.14 -3.66 -0.30 0.00 -0.26 0.00 0.00 58.87 54.80 1whm n SER 90 Cb 0.43 -0.85 -0.08 0.00 -0.26 0.00 0.00 64.21 63.45 1whm n SER 90 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1whm s SER 91 N -1.49 3.61 0.00 4.04 0.01 -1.26 -5.36 113.70 113.25 1whm s SER 91 Ca 0.58 -1.62 0.00 0.00 1.31 0.00 0.00 55.95 56.22 1whm s SER 91 Cb 0.48 0.40 0.00 0.00 0.21 0.00 0.00 66.02 67.11 1whm s SER 91 CO 0.08 -0.83 0.00 0.61 0.41 0.00 0.00 173.24 173.51