#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 -0.13 -0.24 1.61 1.04 -1.26 -5.14 113.70 109.58 1whm s SER 2 Ca 0.00 -0.53 -0.17 0.00 0.48 0.00 0.00 55.95 55.73 1whm s SER 2 Cb 0.00 0.54 -0.03 0.00 0.10 0.00 0.00 66.02 66.63 1whm s SER 2 CO 0.00 -1.02 0.46 -0.94 0.98 0.00 0.00 173.24 172.73 1whm s SER 3 N -3.04 6.43 -1.03 7.02 1.04 -1.26 -5.00 113.70 117.86 1whm s SER 3 Ca 0.14 0.51 -0.02 0.00 0.48 0.00 0.00 55.95 57.07 1whm s SER 3 Cb -0.02 -2.26 0.32 0.00 0.10 0.00 0.00 66.02 64.15 1whm s SER 3 CO 0.04 -0.20 1.68 0.61 0.98 0.00 0.00 173.24 176.35 1whm n GLY 4 N 4.23 5.79 2.02 7.32 0.00 -1.26 -4.43 105.19 118.86 1whm n GLY 4 Ca -0.06 -2.62 0.00 0.00 0.00 0.00 0.00 46.02 43.34 1whm n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1whm n SER 5 N 0.42 -0.33 -3.94 1.61 3.41 -1.26 -5.13 113.62 108.40 1whm n SER 5 Ca 0.39 0.13 -0.13 0.00 -0.26 0.00 0.00 58.87 59.01 1whm n SER 5 Cb 0.29 0.48 -0.13 0.00 -0.26 0.00 0.00 64.21 64.58 1whm n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1whm s SER 6 N -3.99 0.34 0.00 4.04 0.01 -1.26 -5.13 113.70 107.71 1whm s SER 6 Ca 0.00 -0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.10 1whm s SER 6 Cb 0.00 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.22 1whm s SER 6 CO 0.00 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.22 1whm n GLY 7 N 2.66 3.90 3.65 3.44 0.00 -1.26 -4.92 105.19 112.66 1whm n GLY 7 Ca -0.15 -1.55 -0.43 0.00 0.00 0.00 0.00 46.02 43.89 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 -1.39 1.81 0.35 1.61 -0.02 -1.26 -4.94 135.00 131.15 1whm n PRO 8 Ca 0.00 0.63 -0.14 0.00 -2.02 0.00 0.00 63.50 61.98 1whm n PRO 8 Cb 0.00 -2.13 -0.07 0.00 -0.02 0.00 0.00 33.50 31.29 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 2.31 -0.86 -6.68 0.52 0.11 -1.98 -3.43 132.00 121.99 1whm h PRO 9 Ca -0.43 0.06 -0.53 0.00 0.11 0.00 0.00 66.00 65.21 1whm h PRO 9 Cb 1.31 0.20 0.04 0.00 0.11 0.00 0.00 31.00 32.65 1whm h PRO 9 CO 0.62 -0.58 0.72 -1.17 -0.21 0.00 0.00 178.00 177.39 1whm s LEU 10 N -7.95 4.39 0.13 2.35 2.96 -1.26 -4.96 118.68 114.34 1whm s LEU 10 Ca -0.13 2.51 -0.31 0.00 -0.22 0.00 0.00 54.13 55.99 1whm s LEU 10 Cb 0.01 -3.61 -0.08 0.00 0.50 0.00 0.00 46.19 43.02 1whm s LEU 10 CO 0.39 -0.64 1.32 -1.61 -1.32 0.00 0.00 176.35 174.49 1whm s GLU 11 N 0.06 4.37 0.46 1.98 2.02 -1.26 -5.00 118.70 121.33 1whm s GLU 11 Ca 0.60 1.99 -0.21 0.00 0.02 0.00 0.00 54.97 57.37 1whm s GLU 11 Cb -0.39 -3.26 -0.09 0.00 0.10 0.00 0.00 34.13 30.49 1whm s GLU 11 CO 0.38 -0.33 1.02 0.42 0.02 0.00 0.00 175.26 176.78 1whm s ILE 12 N 0.80 3.88 -1.68 -1.63 -1.09 -1.26 -3.47 121.20 116.74 1whm s ILE 12 Ca 0.61 1.21 -0.01 0.00 -2.23 0.00 0.00 60.65 60.23 1whm s ILE 12 Cb -0.35 -3.51 0.00 0.00 -1.58 0.00 0.00 42.46 37.02 1whm s ILE 12 CO 0.32 -0.21 0.16 0.59 -1.23 0.00 0.00 174.94 174.57 1whm n ASN 13 N -0.76 -5.87 -4.60 3.58 4.13 -0.47 -4.95 115.26 106.32 1whm n ASN 13 Ca 0.08 -0.09 -0.24 0.00 1.68 0.00 0.00 54.58 56.02 1whm n ASN 13 Cb 0.52 -4.83 -0.08 0.00 -1.54 0.00 0.00 39.78 33.85 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 -2.25 4.31 -0.32 6.41 0.01 -1.23 -4.81 113.70 115.82 1whm s SER 14 Ca 0.08 -0.71 -0.21 0.00 1.31 0.00 0.00 55.95 56.41 1whm s SER 14 Cb -0.03 -0.72 -0.00 0.00 0.21 0.00 0.00 66.02 65.47 1whm s SER 14 CO 0.10 0.02 0.69 -0.13 0.41 0.00 0.00 173.24 174.33 1whm s ARG 15 N -3.51 3.85 0.02 12.44 1.81 -1.26 0.68 118.95 132.98 1whm s ARG 15 Ca 0.30 0.32 0.01 0.00 -1.72 0.00 0.00 55.73 54.64 1whm s ARG 15 Cb -0.06 -3.75 -0.01 0.00 -0.45 0.00 0.00 34.95 30.67 1whm s ARG 15 CO 0.18 -0.67 -0.04 0.14 -0.68 0.00 0.00 175.30 174.24 1whm s VAL 16 N 2.78 0.22 0.69 3.52 -7.23 0.28 -4.04 120.40 116.61 1whm s VAL 16 Ca 0.28 -0.59 -0.03 0.00 -1.81 0.00 0.00 61.98 59.82 1whm s VAL 16 Cb -0.14 -0.28 0.09 0.00 0.56 0.00 0.00 36.38 36.61 1whm s VAL 16 CO 0.13 -0.24 0.97 -0.44 -0.31 0.00 0.00 175.10 175.21 1whm s SER 17 N -0.88 4.60 -0.07 4.85 0.01 0.93 0.11 113.70 123.25 1whm s SER 17 Ca -0.08 0.01 -0.07 0.00 1.31 0.00 0.00 55.95 57.13 1whm s SER 17 Cb -0.06 -0.57 0.02 0.00 0.21 0.00 0.00 66.02 65.62 1whm s SER 17 CO -0.00 -1.68 0.20 -0.76 0.41 0.00 0.00 173.24 171.40 1whm s LEU 18 N -5.14 1.22 -0.88 2.44 1.43 -0.06 0.70 118.68 118.38 1whm s LEU 18 Ca 0.63 0.40 -0.22 0.00 -1.03 0.00 0.00 54.13 53.91 1whm s LEU 18 Cb -0.08 0.67 0.08 0.00 0.03 0.00 0.00 46.19 46.89 1whm s LEU 18 CO 0.44 -0.07 1.22 -0.75 0.23 0.00 0.00 176.35 177.42 1whm s LYS 19 N 0.16 3.44 -0.18 1.70 2.20 -0.80 -0.30 119.74 125.96 1whm s LYS 19 Ca -0.00 -1.16 -0.07 0.00 -0.36 0.00 0.00 55.97 54.38 1whm s LYS 19 Cb -0.02 -4.83 -0.04 0.00 -1.51 0.00 0.00 37.83 31.44 1whm s LYS 19 CO -0.00 -1.98 0.04 0.14 -0.36 0.00 0.00 175.35 173.19 1whm s VAL 20 N 4.14 4.59 0.00 4.02 -7.23 0.08 -4.92 120.40 121.08 1whm s VAL 20 Ca 0.35 -0.10 0.00 0.00 -1.81 0.00 0.00 61.98 60.42 1whm s VAL 20 Cb -0.06 -3.06 0.00 0.00 0.56 0.00 0.00 36.38 33.82 1whm s VAL 20 CO -0.02 0.46 0.00 0.61 -0.31 0.00 0.00 175.10 175.84 1whm n GLY 21 N 3.59 0.28 1.42 2.32 0.00 -1.26 -1.21 105.19 110.33 1whm n GLY 21 Ca -0.17 0.66 0.04 0.00 0.00 0.00 0.00 46.02 46.56 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 0.33 -3.43 1.61 -0.58 -1.26 -5.09 120.64 112.22 1whm n GLU 22 Ca 0.00 -2.27 -0.13 0.00 -0.42 0.00 0.00 57.16 54.35 1whm n GLU 22 Cb 0.00 -0.32 -0.02 0.00 -0.57 0.00 0.00 31.44 30.53 1whm n GLU 22 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1whm s THR 23 N -0.66 0.00 0.27 2.62 2.01 -0.35 -5.17 115.64 114.37 1whm s THR 23 Ca 0.34 0.00 -0.08 0.00 0.31 0.00 0.00 61.69 62.27 1whm s THR 23 Cb 0.38 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.83 1whm s THR 23 CO -0.15 0.00 0.57 -0.63 -0.69 0.00 0.00 174.62 173.72 1whm s ILE 24 N -3.44 4.96 -0.12 1.82 -1.09 -1.26 -0.74 121.20 121.32 1whm s ILE 24 Ca -0.00 0.31 -0.04 0.00 -2.23 0.00 0.00 60.65 58.69 1whm s ILE 24 Cb -0.01 -3.68 0.05 0.00 -1.58 0.00 0.00 42.46 37.24 1whm s ILE 24 CO -0.10 -0.22 0.07 -1.61 -1.23 0.00 0.00 174.94 171.84 1whm s GLU 25 N -3.24 0.12 0.49 2.79 0.41 0.59 -4.89 118.70 114.97 1whm s GLU 25 Ca 0.46 0.05 -0.24 0.00 -0.41 0.00 0.00 54.97 54.84 1whm s GLU 25 Cb -0.11 -1.36 -0.07 0.00 -1.78 0.00 0.00 34.13 30.81 1whm s GLU 25 CO 0.26 -0.53 1.33 0.43 -0.49 0.00 0.00 175.26 176.27 1whm n SER 26 N 5.25 2.73 -1.55 -0.19 7.64 -1.26 -0.88 113.62 125.36 1whm n SER 26 Ca -0.06 1.05 -0.03 0.00 1.01 0.00 0.00 58.87 60.84 1whm n SER 26 Cb 0.49 -1.55 0.01 0.00 -1.01 0.00 0.00 64.21 62.14 1whm n SER 26 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1whm n GLY 27 N 0.75 1.89 3.33 0.23 0.00 0.30 -3.73 105.19 107.96 1whm n GLY 27 Ca 0.08 -1.15 -0.24 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.70 1.90 0.15 2.61 2.01 0.37 0.99 115.64 120.97 1whm s THR 28 Ca 0.05 -1.75 -0.11 0.00 0.31 0.00 0.00 61.69 60.20 1whm s THR 28 Cb -0.01 -1.78 -0.06 0.00 0.01 0.00 0.00 72.50 70.66 1whm s THR 28 CO 0.04 -0.12 0.49 -0.69 -0.69 0.00 0.00 174.62 173.64 1whm s VAL 29 N -1.48 4.98 0.00 3.82 1.01 0.21 0.97 120.40 129.92 1whm s VAL 29 Ca 0.12 0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.64 1whm s VAL 29 Cb -0.08 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1whm s VAL 29 CO 0.06 0.16 0.00 2.30 0.00 0.00 0.00 175.10 177.61 1whm n ILE 30 N 0.52 0.00 -5.09 2.22 -5.35 -1.13 -1.37 119.36 109.16 1whm n ILE 30 Ca -0.04 0.00 -0.32 0.00 -0.27 0.00 0.00 62.75 62.12 1whm n ILE 30 Cb 0.52 -0.07 -0.15 0.00 -1.74 0.00 0.00 39.64 38.19 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 -1.35 2.57 -0.28 4.28 5.36 -1.20 -4.85 117.98 122.50 1whm s PHE 31 Ca 0.00 -0.59 -0.01 0.00 -0.96 0.00 0.00 56.93 55.37 1whm s PHE 31 Cb 0.00 -1.65 0.13 0.00 -0.34 0.00 0.00 43.02 41.16 1whm s PHE 31 CO 0.00 -0.13 0.30 0.00 -1.46 0.00 0.00 175.22 173.93 1whm n ASP 33 N 5.32 -0.14 -5.00 0.00 9.92 -0.02 -4.95 116.55 121.68 1whm n ASP 33 Ca -0.02 -1.03 -0.22 0.00 -0.53 0.00 0.00 54.79 52.99 1whm n ASP 33 Cb 0.47 0.21 0.05 0.00 -0.64 0.00 0.00 41.12 41.21 1whm n ASP 33 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1whm s VAL 34 N -2.16 1.94 0.26 2.53 -7.23 -1.26 -0.65 120.40 113.83 1whm s VAL 34 Ca 0.03 -1.13 0.07 0.00 -1.81 0.00 0.00 61.98 59.14 1whm s VAL 34 Cb -0.00 -2.08 -0.05 0.00 0.56 0.00 0.00 36.38 34.81 1whm s VAL 34 CO -0.00 0.00 -0.09 -0.76 -0.31 0.00 0.00 175.10 173.94 1whm s LEU 35 N -4.58 2.51 -0.00 1.32 1.43 -1.26 -4.93 118.68 113.17 1whm s LEU 35 Ca 0.54 -1.14 -0.36 0.00 -1.03 0.00 0.00 54.13 52.15 1whm s LEU 35 Cb -0.05 -0.67 -0.14 0.00 0.03 0.00 0.00 46.19 45.36 1whm s LEU 35 CO 0.34 -0.28 1.64 -2.65 0.23 0.00 0.00 176.35 175.63 1whm n PRO 36 N -0.54 1.75 -2.32 1.29 -0.02 -1.26 -0.80 135.00 133.11 1whm n PRO 36 Ca -0.06 0.64 -0.20 0.00 -2.02 0.00 0.00 63.50 61.85 1whm n PRO 36 Cb 0.62 -2.38 -0.02 0.00 -0.02 0.00 0.00 33.50 31.70 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 3.63 -0.24 1.89 -1.23 0.00 -1.26 -4.83 105.19 103.15 1whm n GLY 37 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.94 0.64 0.06 1.61 5.02 0.02 -4.90 118.16 117.67 1whm n LYS 38 Ca -0.24 -1.96 -0.10 0.00 -2.02 0.00 0.00 58.31 54.00 1whm n LYS 38 Cb 0.68 -0.17 -0.13 0.00 -0.02 0.00 0.00 35.03 35.39 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 1.12 0.08 0.00 1.97 5.08 -1.86 -3.28 114.58 117.68 1whm h GLU 39 Ca -0.33 -0.14 -0.10 0.00 -1.00 0.00 0.00 59.36 57.79 1whm h GLU 39 Cb 1.52 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.81 1whm h GLU 39 CO -0.03 0.99 -0.48 1.03 -1.00 0.00 0.00 179.01 179.53 1whm h SER 40 N 0.02 0.00 -0.50 1.42 0.87 -1.92 -3.09 113.55 110.34 1whm h SER 40 Ca -0.09 0.00 0.09 0.00 -1.23 0.00 0.00 61.79 60.55 1whm h SER 40 Cb 1.87 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.80 1whm h SER 40 CO 0.14 0.48 0.34 -0.07 -0.53 0.00 0.00 176.83 177.19 1whm h LEU 41 N 0.00 0.28 0.00 2.23 3.38 -1.94 -3.48 115.31 115.79 1whm h LEU 41 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1whm h LEU 41 Cb 1.04 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1whm h LEU 41 CO 0.06 0.17 0.00 0.61 0.09 0.00 0.00 178.44 179.38 1whm n GLY 42 N -1.54 0.16 2.51 0.83 0.00 -1.17 -5.03 105.19 100.95 1whm n GLY 42 Ca 0.08 -0.67 -0.28 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.18 0.52 0.58 1.61 1.51 -1.26 -4.73 117.35 115.40 1whm s TYR 43 Ca 0.00 -1.40 -0.20 0.00 -1.01 0.00 0.00 57.07 54.45 1whm s TYR 43 Cb 0.00 -0.84 -0.04 0.00 -0.11 0.00 0.00 41.96 40.97 1whm s TYR 43 CO 0.00 -0.85 1.34 -0.06 -1.11 0.00 0.00 175.55 174.87 1whm s PHE 44 N 1.28 2.21 -0.07 2.71 0.08 0.17 -3.63 117.98 120.73 1whm s PHE 44 Ca 0.16 1.41 -0.03 0.00 0.12 0.00 0.00 56.93 58.60 1whm s PHE 44 Cb -0.21 -3.77 0.04 0.00 -0.57 0.00 0.00 43.02 38.51 1whm s PHE 44 CO -0.05 -2.92 0.14 0.08 -0.10 0.00 0.00 175.22 172.36 1whm s VAL 45 N -1.33 -0.18 -0.37 -0.44 1.01 0.11 -0.84 120.40 118.36 1whm s VAL 45 Ca 0.76 0.31 -0.27 0.00 0.00 0.00 0.00 61.98 62.77 1whm s VAL 45 Cb -0.39 -0.25 0.02 0.00 0.00 0.00 0.00 36.38 35.75 1whm s VAL 45 CO 0.45 0.13 1.01 -0.83 0.00 0.00 0.00 175.10 175.86 1whm s GLY 46 N 1.91 1.52 -0.21 4.51 0.00 0.36 -2.27 107.32 113.15 1whm s GLY 46 Ca -0.01 -0.31 -0.07 0.00 0.00 0.00 0.00 44.72 44.33 1whm s GLY 46 CO -0.05 2.17 0.07 0.14 0.00 0.00 0.00 173.10 175.42 1whm s VAL 47 N 3.69 4.62 -0.61 1.40 1.01 0.18 -2.84 120.40 127.84 1whm s VAL 47 Ca 0.42 -0.08 -0.19 0.00 0.00 0.00 0.00 61.98 62.13 1whm s VAL 47 Cb -0.11 -3.11 0.10 0.00 0.00 0.00 0.00 36.38 33.26 1whm s VAL 47 CO 0.19 0.41 0.75 -0.62 0.00 0.00 0.00 175.10 175.84 1whm s ASP 48 N 0.83 6.20 0.90 3.32 -1.08 0.27 0.08 116.67 127.19 1whm s ASP 48 Ca 0.04 -1.42 -0.11 0.00 -0.52 0.00 0.00 52.55 50.53 1whm s ASP 48 Cb -0.14 -2.32 0.13 0.00 -1.46 0.00 0.00 42.92 39.14 1whm s ASP 48 CO 0.02 -1.15 1.09 -0.04 0.52 0.00 0.00 175.17 175.62 1whm s MET 49 N 2.81 1.20 0.00 4.34 -1.94 -0.03 -0.48 119.30 125.21 1whm s MET 49 Ca 0.13 0.90 -0.16 0.00 -1.71 0.00 0.00 55.69 54.85 1whm s MET 49 Cb -0.23 -1.80 -0.34 0.00 2.01 0.00 0.00 34.83 34.47 1whm s MET 49 CO 0.06 -2.30 0.92 0.22 -0.01 0.00 0.00 175.02 173.91 1whm h ASP 50 N -1.59 0.76 -3.37 3.03 1.82 -1.90 -3.44 116.42 111.73 1whm h ASP 50 Ca -0.49 -0.93 -0.52 0.00 -0.39 0.00 0.00 57.03 54.70 1whm h ASP 50 Cb 1.28 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 41.03 1whm h ASP 50 CO 0.53 1.69 -0.08 0.20 -1.61 0.00 0.00 179.24 179.97 1whm s ASN 51 N -7.46 6.52 -1.19 2.28 0.01 -1.26 -4.98 114.94 108.86 1whm s ASN 51 Ca -0.11 0.86 -0.23 0.00 -0.71 0.00 0.00 52.86 52.68 1whm s ASN 51 Cb 0.04 -2.20 -0.09 0.00 0.41 0.00 0.00 41.25 39.41 1whm s ASN 51 CO 0.91 -0.20 1.93 -0.81 -1.51 0.00 0.00 177.10 177.42 1whm n PRO 52 N -0.77 1.64 -1.18 -0.60 -0.04 -1.26 -4.46 135.00 128.34 1whm n PRO 52 Ca -0.00 -2.49 0.03 0.00 -0.04 0.00 0.00 63.50 61.00 1whm n PRO 52 Cb 0.53 -3.73 0.03 0.00 -0.04 0.00 0.00 33.50 30.29 1whm n PRO 52 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1whm n ILE 53 N 7.77 0.14 -1.67 0.52 -5.35 0.37 -4.97 119.36 116.18 1whm n ILE 53 Ca 0.45 -0.88 0.00 0.00 -0.27 0.00 0.00 62.75 62.05 1whm n ILE 53 Cb 0.46 0.79 0.00 0.00 -1.74 0.00 0.00 39.64 39.15 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 0.26 -0.11 1.44 3.28 0.00 0.29 -4.90 105.19 105.45 1whm n GLY 54 Ca 0.05 -1.82 -0.01 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.99 -0.32 -3.66 1.61 6.94 -1.16 -4.49 115.26 111.19 1whm n ASN 55 Ca 0.00 -1.05 -0.12 0.00 -0.02 0.00 0.00 54.58 53.39 1whm n ASN 55 Cb 0.00 0.14 -0.12 0.00 -2.36 0.00 0.00 39.78 37.44 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 -0.54 -0.41 -2.53 -0.00 -1.22 -4.95 118.94 109.32 1whm s TRP 56 Ca 0.02 1.14 0.05 0.00 -0.00 0.00 0.00 56.10 57.31 1whm s TRP 56 Cb 0.08 0.07 0.63 0.00 -0.00 0.00 0.00 33.47 34.24 1whm s TRP 56 CO -0.02 -0.39 1.81 -3.47 -0.00 0.00 0.00 176.95 174.87 1whm n ASP 57 N 5.36 3.43 -3.40 5.86 2.03 -1.26 -2.07 116.55 126.50 1whm n ASP 57 Ca -0.07 -3.66 -0.17 0.00 0.52 0.00 0.00 54.79 51.41 1whm n ASP 57 Cb 0.50 -0.79 0.08 0.00 -0.72 0.00 0.00 41.12 40.19 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 -1.14 -0.56 3.03 0.27 0.00 -1.26 -4.55 105.19 100.98 1whm n GLY 58 Ca 0.53 0.22 -0.13 0.00 0.00 0.00 0.00 46.02 46.65 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 -5.16 0.18 -0.58 1.61 0.52 -1.26 -1.57 118.95 112.68 1whm s ARG 59 Ca 0.12 0.27 0.00 0.00 -0.52 0.00 0.00 55.73 55.60 1whm s ARG 59 Cb -0.02 0.04 0.15 0.00 0.52 0.00 0.00 34.95 35.64 1whm s ARG 59 CO 0.74 -0.05 0.36 0.12 0.02 0.00 0.00 175.30 176.49 1whm s PHE 60 N 0.31 3.30 -1.67 -0.53 5.36 0.24 -4.70 117.98 120.29 1whm s PHE 60 Ca -0.02 -2.95 0.00 0.00 -0.96 0.00 0.00 56.93 53.00 1whm s PHE 60 Cb -0.03 -3.02 0.00 0.00 -0.34 0.00 0.00 43.02 39.63 1whm s PHE 60 CO -0.01 -0.79 0.00 -0.25 -1.46 0.00 0.00 175.22 172.71 1whm n ASP 61 N 3.26 -5.26 0.00 6.13 8.00 -1.26 -2.71 116.55 124.71 1whm n ASP 61 Ca 0.07 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.70 1whm n ASP 61 Cb 0.35 -4.34 0.00 0.00 -0.02 0.00 0.00 41.12 37.11 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 -0.93 3.28 3.70 0.44 0.00 -1.26 -5.08 105.19 105.35 1whm n GLY 62 Ca -0.21 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 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 3.78 0.11 1.61 0.11 -1.10 -4.98 120.40 119.92 1whm s VAL 63 Ca 0.00 1.24 -0.30 0.00 -2.93 0.00 0.00 61.98 59.98 1whm s VAL 63 Cb 0.00 -3.79 -0.06 0.00 -1.53 0.00 0.00 36.38 31.00 1whm s VAL 63 CO 0.00 0.06 1.08 -1.58 -3.33 0.00 0.00 175.10 171.33 1whm s GLN 64 N 1.56 4.57 0.00 1.54 2.00 -1.26 0.79 119.66 128.86 1whm s GLN 64 Ca 0.61 1.63 0.00 0.00 -2.00 0.00 0.00 55.36 55.61 1whm s GLN 64 Cb -0.31 -3.34 0.00 0.00 0.80 0.00 0.00 33.01 30.15 1whm s GLN 64 CO 0.28 -0.00 0.00 1.28 -0.50 0.00 0.00 175.29 176.35 1whm n LEU 65 N 3.09 0.99 -4.19 3.68 4.77 -0.61 -4.91 117.00 119.82 1whm n LEU 65 Ca 0.05 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.62 1whm n LEU 65 Cb 0.48 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.49 1whm n LEU 65 CO 0.53 0.11 0.13 0.00 -1.33 0.00 0.00 177.39 176.84 1whm h SER 67 N 7.64 0.00 -0.86 0.00 0.02 -1.91 -2.17 113.55 116.27 1whm h SER 67 Ca -0.03 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.41 1whm h SER 67 Cb 1.01 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 63.29 1whm h SER 67 CO 0.76 0.14 0.64 0.49 -1.14 0.00 0.00 176.83 177.72 1whm n PHE 68 N -3.95 2.71 -3.86 3.45 3.72 -1.26 -4.94 117.46 113.33 1whm n PHE 68 Ca -0.02 -2.08 -0.26 0.00 -0.05 0.00 0.00 57.45 55.04 1whm n PHE 68 Cb 0.23 -1.03 0.00 0.00 -0.94 0.00 0.00 39.48 37.74 1whm n PHE 68 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1whm n ALA 69 N -0.80 0.88 -3.65 4.37 0.00 -0.81 -5.01 120.51 115.48 1whm n ALA 69 Ca 0.53 -2.25 -0.02 0.00 0.00 0.00 0.00 53.44 51.70 1whm n ALA 69 Cb 1.19 0.92 -0.07 0.00 0.00 0.00 0.00 19.45 21.49 1whm n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1whm n VAL 71 N 2.14 3.21 0.00 0.00 3.14 -0.94 -2.78 118.33 123.10 1whm n VAL 71 Ca -0.13 -2.38 0.00 0.00 -2.96 0.00 0.00 64.34 58.88 1whm n VAL 71 Cb 0.57 -2.48 0.00 0.00 -1.06 0.00 0.00 33.84 30.86 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 5.31 0.00 0.00 1.45 1.02 -1.26 -4.65 120.64 122.51 1whm n GLU 72 Ca 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.72 1whm n GLU 72 Cb 0.31 -0.03 0.00 0.00 -0.02 0.00 0.00 31.44 31.70 1whm n GLU 72 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1whm n SER 73 N -1.98 2.63 -4.77 1.62 7.64 -1.22 0.11 113.62 117.65 1whm n SER 73 Ca 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.48 1whm n SER 73 Cb 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.21 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 -1.78 2.32 -0.20 0.44 2.01 -1.12 -0.85 115.64 116.47 1whm s THR 74 Ca 0.00 0.29 -0.06 0.00 0.31 0.00 0.00 61.69 62.23 1whm s THR 74 Cb 0.00 -3.17 0.09 0.00 0.01 0.00 0.00 72.50 69.43 1whm s THR 74 CO 0.00 0.04 0.40 -0.63 -0.69 0.00 0.00 174.62 173.74 1whm s ILE 75 N -1.22 -0.62 -0.41 1.82 1.01 0.11 -2.96 121.20 118.93 1whm s ILE 75 Ca 0.58 0.15 -0.21 0.00 0.00 0.00 0.00 60.65 61.17 1whm s ILE 75 Cb -0.41 -0.66 0.02 0.00 0.01 0.00 0.00 42.46 41.41 1whm s ILE 75 CO 0.53 0.05 0.65 -0.22 0.00 0.00 0.00 174.94 175.95 1whm s LEU 76 N 2.58 4.38 0.00 2.97 2.96 -1.26 0.47 118.68 130.79 1whm s LEU 76 Ca 0.01 -0.13 0.06 0.00 -0.22 0.00 0.00 54.13 53.85 1whm s LEU 76 Cb -0.13 -2.76 -0.02 0.00 0.50 0.00 0.00 46.19 43.78 1whm s LEU 76 CO -0.13 -0.71 0.33 0.18 -1.32 0.00 0.00 176.35 174.70 1whm n LEU 77 N 6.20 0.00 -4.72 -0.68 4.77 -0.96 -4.87 117.00 116.73 1whm n LEU 77 Ca -0.01 -3.19 -0.42 0.00 -0.03 0.00 0.00 56.01 52.36 1whm n LEU 77 Cb 0.48 1.91 -0.03 0.00 -2.33 0.00 0.00 43.42 43.45 1whm n LEU 77 CO 0.52 -0.57 0.87 -2.28 -1.33 0.00 0.00 177.39 174.60 1whm s HIS 78 N -3.28 3.47 0.35 -1.77 2.46 -1.26 -0.71 115.29 114.54 1whm s HIS 78 Ca 0.39 1.39 0.13 0.00 0.47 0.00 0.00 55.06 57.44 1whm s HIS 78 Cb 0.01 -3.39 0.98 0.00 -0.13 0.00 0.00 32.58 30.05 1whm s HIS 78 CO 0.27 -1.13 1.74 0.97 -2.47 0.00 0.00 174.74 174.12 1whm h ILE 79 N 4.19 0.51 -0.23 0.89 2.10 -1.91 0.83 117.51 123.89 1whm h ILE 79 Ca -0.43 -0.17 0.07 0.00 1.08 0.00 0.00 64.86 65.41 1whm h ILE 79 Cb 1.21 -0.03 -0.01 0.00 -1.09 0.00 0.00 36.82 36.91 1whm h ILE 79 CO 0.78 0.09 0.19 0.78 -1.08 0.00 0.00 178.15 178.91 1whm h ASN 80 N 0.50 0.00 1.50 2.19 -0.26 -1.91 0.19 115.58 117.78 1whm h ASN 80 Ca 0.64 0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 56.31 1whm h ASN 80 Cb 1.38 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.63 1whm h ASN 80 CO -0.42 0.00 -0.32 0.44 -1.06 0.00 0.00 177.43 176.07 1whm h ASP 81 N 0.00 0.00 -3.99 5.81 3.32 0.31 -3.45 116.42 118.42 1whm h ASP 81 Ca 0.11 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.70 1whm h ASP 81 Cb 0.49 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 1whm h ASP 81 CO -0.00 0.32 0.36 -0.63 -1.72 0.00 0.00 179.24 177.57 1whm s ILE 82 N -3.17 4.12 -0.43 0.35 1.01 0.65 -1.91 121.20 121.83 1whm s ILE 82 Ca 0.04 1.51 0.02 0.00 0.00 0.00 0.00 60.65 62.22 1whm s ILE 82 Cb 0.07 -3.72 0.13 0.00 0.01 0.00 0.00 42.46 38.95 1whm s ILE 82 CO 0.70 -0.10 0.22 -0.63 0.00 0.00 0.00 174.94 175.13 1whm s ILE 83 N -1.87 1.42 0.06 2.92 1.01 0.22 -4.92 121.20 120.04 1whm s ILE 83 Ca 0.58 -2.45 -0.01 0.00 0.00 0.00 0.00 60.65 58.77 1whm s ILE 83 Cb -0.16 -2.00 0.01 0.00 0.01 0.00 0.00 42.46 40.32 1whm s ILE 83 CO 0.20 -0.86 0.05 -0.81 0.00 0.00 0.00 174.94 173.53 1whm n PRO 84 N 3.69 -1.12 -4.14 2.79 -0.04 -1.26 -0.05 135.00 134.88 1whm n PRO 84 Ca 0.07 -0.08 -0.25 0.00 -0.04 0.00 0.00 63.50 63.20 1whm n PRO 84 Cb 0.35 -0.08 -0.06 0.00 -0.04 0.00 0.00 33.50 33.68 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 -1.67 0.88 -3.82 0.54 1.02 -1.26 -4.75 120.64 111.58 1whm n GLU 85 Ca 0.01 -2.99 -0.12 0.00 -0.02 0.00 0.00 57.16 54.03 1whm n GLU 85 Cb 0.03 1.04 -0.10 0.00 -0.02 0.00 0.00 31.44 32.39 1whm n GLU 85 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1whm s SER 86 N -3.23 -0.10 -0.07 1.62 1.04 -1.26 -5.12 113.70 106.58 1whm s SER 86 Ca 0.05 0.02 -0.30 0.00 0.48 0.00 0.00 55.95 56.21 1whm s SER 86 Cb 0.00 0.30 -0.06 0.00 0.10 0.00 0.00 66.02 66.36 1whm s SER 86 CO 0.04 -0.34 1.72 -0.55 0.98 0.00 0.00 173.24 175.09 1whm s SER 87 N -1.07 6.53 -0.29 7.02 0.15 -1.26 -4.95 113.70 119.83 1whm s SER 87 Ca -0.11 2.19 0.04 0.00 0.70 0.00 0.00 55.95 58.76 1whm s SER 87 Cb -0.06 -2.53 0.20 0.00 -1.71 0.00 0.00 66.02 61.92 1whm s SER 87 CO 0.02 -1.04 0.60 -0.83 1.20 0.00 0.00 173.24 173.18 1whm s GLY 88 N 3.87 -1.19 0.58 9.45 0.00 -1.26 -5.01 107.32 113.76 1whm s GLY 88 Ca 0.77 1.30 0.30 0.00 0.00 0.00 0.00 44.72 47.09 1whm s GLY 88 CO 0.31 3.60 1.79 -2.55 0.00 0.00 0.00 173.10 176.26 1whm h PRO 89 N 8.00 0.00 -4.87 2.90 0.11 -2.09 -3.29 132.00 132.76 1whm h PRO 89 Ca -0.08 0.00 -0.71 0.00 0.11 0.00 0.00 66.00 65.33 1whm h PRO 89 Cb 1.18 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.11 1whm h PRO 89 CO 0.18 0.00 0.84 -1.12 -0.21 0.00 0.00 178.00 177.69 1whm s SER 90 N -4.98 6.71 -0.31 -2.05 0.01 -1.26 -4.91 113.70 106.92 1whm s SER 90 Ca -0.04 -2.25 0.00 0.00 1.31 0.00 0.00 55.95 54.97 1whm s SER 90 Cb 0.17 -2.38 0.14 0.00 0.21 0.00 0.00 66.02 64.16 1whm s SER 90 CO 0.60 -0.97 0.30 -0.94 0.41 0.00 0.00 173.24 172.64 1whm s SER 91 N 3.38 1.67 0.00 2.44 1.04 -1.24 -5.20 113.70 115.78 1whm s SER 91 Ca 0.33 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.79 1whm s SER 91 Cb -0.05 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1whm s SER 91 CO -0.08 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.38