#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 2.51 -4.01 1.61 2.88 -1.26 -5.02 113.62 110.33 1whm n SER 2 Ca 0.00 -2.78 -0.31 0.00 -1.33 0.00 0.00 58.87 54.45 1whm n SER 2 Cb 0.00 -0.41 -0.16 0.00 -0.75 0.00 0.00 64.21 62.89 1whm n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1whm s SER 3 N -3.37 3.50 -0.34 -3.46 0.15 -1.26 -5.10 113.70 103.82 1whm s SER 3 Ca 0.37 -0.93 -0.14 0.00 0.70 0.00 0.00 55.95 55.94 1whm s SER 3 Cb 0.37 -1.28 -0.01 0.00 -1.71 0.00 0.00 66.02 63.38 1whm s SER 3 CO -0.04 -0.14 0.32 -0.83 1.20 0.00 0.00 173.24 173.74 1whm s GLY 4 N 1.36 1.93 -0.31 9.45 0.00 -1.26 -5.04 107.32 113.45 1whm s GLY 4 Ca -0.02 -1.28 0.02 0.00 0.00 0.00 0.00 44.72 43.44 1whm s GLY 4 CO -0.08 0.91 0.03 -1.35 0.00 0.00 0.00 173.10 172.62 1whm s SER 5 N 1.73 4.42 0.32 1.64 1.04 -1.26 -5.10 113.70 116.49 1whm s SER 5 Ca 0.10 -1.83 0.03 0.00 0.48 0.00 0.00 55.95 54.73 1whm s SER 5 Cb -0.17 -1.36 -0.06 0.00 0.10 0.00 0.00 66.02 64.53 1whm s SER 5 CO 0.11 -0.35 0.07 -0.94 0.98 0.00 0.00 173.24 173.11 1whm s SER 6 N 1.17 2.22 0.00 7.02 1.04 -1.26 -5.15 113.70 118.74 1whm s SER 6 Ca 0.07 -1.41 0.00 0.00 0.48 0.00 0.00 55.95 55.09 1whm s SER 6 Cb -0.19 0.02 0.00 0.00 0.10 0.00 0.00 66.02 65.95 1whm s SER 6 CO -0.12 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.05 1whm n GLY 7 N -0.67 1.35 3.80 7.32 0.00 -1.26 -4.97 105.19 110.76 1whm n GLY 7 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 3.18 0.06 1.61 0.04 -1.26 -4.99 135.00 133.63 1whm s PRO 8 Ca 0.00 1.19 -0.21 0.00 0.04 0.00 0.00 61.00 62.03 1whm s PRO 8 Cb 0.00 -2.01 -0.12 0.00 0.04 0.00 0.00 34.50 32.40 1whm s PRO 8 CO 0.00 -0.92 1.46 -1.00 0.04 0.00 0.00 177.00 176.57 1whm h PRO 9 N 0.20 0.30 -6.49 0.56 0.13 -1.93 -3.43 132.00 121.34 1whm h PRO 9 Ca -0.46 -0.11 -0.53 0.00 -0.87 0.00 0.00 66.00 64.03 1whm h PRO 9 Cb 1.22 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1whm h PRO 9 CO 0.57 0.56 0.45 -1.17 -0.23 0.00 0.00 178.00 178.18 1whm s LEU 10 N -9.42 4.40 0.42 1.56 2.96 -1.26 -5.01 118.68 112.33 1whm s LEU 10 Ca -0.14 1.86 -0.24 0.00 -0.22 0.00 0.00 54.13 55.39 1whm s LEU 10 Cb 0.06 -3.58 -0.08 0.00 0.50 0.00 0.00 46.19 43.09 1whm s LEU 10 CO 0.73 -0.30 1.13 -1.61 -1.32 0.00 0.00 176.35 174.98 1whm s GLU 11 N 0.70 3.96 0.43 1.98 2.02 -1.26 -4.96 118.70 121.57 1whm s GLU 11 Ca 0.53 1.71 -0.11 0.00 0.02 0.00 0.00 54.97 57.12 1whm s GLU 11 Cb -0.25 -2.52 -0.06 0.00 0.10 0.00 0.00 34.13 31.39 1whm s GLU 11 CO 0.30 -0.36 0.81 0.42 0.02 0.00 0.00 175.26 176.45 1whm s ILE 12 N -1.54 4.75 -1.73 -1.63 -1.09 -1.26 -3.97 121.20 114.73 1whm s ILE 12 Ca 0.60 0.69 -0.01 0.00 -2.23 0.00 0.00 60.65 59.69 1whm s ILE 12 Cb -0.27 -3.74 0.00 0.00 -1.58 0.00 0.00 42.46 36.87 1whm s ILE 12 CO 0.34 -0.59 0.18 0.59 -1.23 0.00 0.00 174.94 174.23 1whm n ASN 13 N -1.45 -6.02 -4.81 3.58 4.13 -0.35 -4.95 115.26 105.39 1whm n ASN 13 Ca 0.03 -0.10 -0.24 0.00 1.68 0.00 0.00 54.58 55.95 1whm n ASN 13 Cb 0.54 -4.97 -0.05 0.00 -1.54 0.00 0.00 39.78 33.76 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 -2.24 4.62 -0.31 6.41 0.01 -1.25 -4.87 113.70 116.07 1whm s SER 14 Ca 0.09 -1.04 -0.08 0.00 1.31 0.00 0.00 55.95 56.23 1whm s SER 14 Cb -0.04 -0.31 0.00 0.00 0.21 0.00 0.00 66.02 65.89 1whm s SER 14 CO 0.11 -0.69 0.12 -0.13 0.41 0.00 0.00 173.24 173.07 1whm s ARG 15 N -4.03 3.19 0.01 12.44 1.81 -1.26 -0.98 118.95 130.13 1whm s ARG 15 Ca 0.41 -0.81 -0.02 0.00 -1.72 0.00 0.00 55.73 53.59 1whm s ARG 15 Cb 0.01 -3.49 -0.01 0.00 -0.45 0.00 0.00 34.95 31.01 1whm s ARG 15 CO 0.23 -0.45 0.01 0.14 -0.68 0.00 0.00 175.30 174.56 1whm s VAL 16 N 1.56 0.10 0.53 3.52 -7.23 0.97 -3.83 120.40 116.02 1whm s VAL 16 Ca 0.03 -0.80 0.03 0.00 -1.81 0.00 0.00 61.98 59.44 1whm s VAL 16 Cb -0.17 -0.29 0.04 0.00 0.56 0.00 0.00 36.38 36.52 1whm s VAL 16 CO 0.04 -0.44 0.74 -0.44 -0.31 0.00 0.00 175.10 174.69 1whm s SER 17 N -1.35 5.30 -0.00 4.85 0.01 0.20 0.11 113.70 122.82 1whm s SER 17 Ca -0.15 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 56.93 1whm s SER 17 Cb -0.09 -0.70 0.01 0.00 0.21 0.00 0.00 66.02 65.45 1whm s SER 17 CO -0.00 -1.10 0.00 -0.76 0.41 0.00 0.00 173.24 171.79 1whm s LEU 18 N -4.67 1.82 -0.56 2.44 1.43 0.13 0.75 118.68 120.01 1whm s LEU 18 Ca 0.58 0.01 -0.25 0.00 -1.03 0.00 0.00 54.13 53.43 1whm s LEU 18 Cb -0.10 -0.02 0.04 0.00 0.03 0.00 0.00 46.19 46.14 1whm s LEU 18 CO 0.37 -0.02 0.98 -0.75 0.23 0.00 0.00 176.35 177.16 1whm s LYS 19 N 0.21 3.35 -0.22 1.70 2.20 -0.40 0.26 119.74 126.84 1whm s LYS 19 Ca -0.02 -0.21 0.02 0.00 -0.36 0.00 0.00 55.97 55.39 1whm s LYS 19 Cb -0.03 -4.06 0.04 0.00 -1.51 0.00 0.00 37.83 32.27 1whm s LYS 19 CO -0.01 -1.53 -0.15 0.14 -0.36 0.00 0.00 175.35 173.44 1whm s VAL 20 N 4.12 2.19 0.00 4.02 -7.23 0.40 -4.97 120.40 118.92 1whm s VAL 20 Ca 0.32 -1.23 0.00 0.00 -1.81 0.00 0.00 61.98 59.26 1whm s VAL 20 Cb -0.12 -2.09 0.00 0.00 0.56 0.00 0.00 36.38 34.73 1whm s VAL 20 CO 0.20 0.27 0.00 0.61 -0.31 0.00 0.00 175.10 175.87 1whm n GLY 21 N 4.55 1.57 1.03 2.32 0.00 -1.26 -2.80 105.19 110.60 1whm n GLY 21 Ca -0.18 -0.03 0.02 0.00 0.00 0.00 0.00 46.02 45.84 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 1.43 -3.83 1.61 -0.58 -1.26 -5.06 120.64 112.95 1whm n GLU 22 Ca 0.00 -3.10 -0.06 0.00 -0.42 0.00 0.00 57.16 53.58 1whm n GLU 22 Cb 0.00 -1.31 0.01 0.00 -0.57 0.00 0.00 31.44 29.57 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 -2.64 0.00 0.21 2.62 -1.32 -1.12 -5.18 115.64 108.20 1whm s THR 23 Ca 0.38 -0.88 0.08 0.00 -1.21 0.00 0.00 61.69 60.07 1whm s THR 23 Cb 0.38 -2.51 -0.04 0.00 -1.51 0.00 0.00 72.50 68.81 1whm s THR 23 CO -0.08 0.00 -0.02 -0.63 -2.21 0.00 0.00 174.62 171.68 1whm s ILE 24 N -2.86 3.50 -0.06 5.08 -1.09 -1.26 -0.45 121.20 124.05 1whm s ILE 24 Ca 0.15 -1.66 -0.01 0.00 -2.23 0.00 0.00 60.65 56.90 1whm s ILE 24 Cb -0.04 -2.79 0.03 0.00 -1.58 0.00 0.00 42.46 38.07 1whm s ILE 24 CO 0.08 -0.21 0.01 -1.61 -1.23 0.00 0.00 174.94 171.98 1whm s GLU 25 N -3.18 0.48 0.22 2.79 0.41 0.14 -4.89 118.70 114.68 1whm s GLU 25 Ca 0.28 0.14 -0.30 0.00 -0.41 0.00 0.00 54.97 54.68 1whm s GLU 25 Cb -0.08 -0.86 -0.09 0.00 -1.78 0.00 0.00 34.13 31.32 1whm s GLU 25 CO 0.18 -0.29 1.38 -1.12 -0.49 0.00 0.00 175.26 174.93 1whm s SER 26 N 1.90 6.77 0.08 -0.19 0.01 -1.26 0.17 113.70 121.17 1whm s SER 26 Ca 0.03 2.54 -0.01 0.00 1.31 0.00 0.00 55.95 59.83 1whm s SER 26 Cb -0.12 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.49 1whm s SER 26 CO -0.04 -0.62 0.12 0.61 0.41 0.00 0.00 173.24 173.72 1whm n GLY 27 N 2.31 2.75 3.49 3.44 0.00 0.30 -4.08 105.19 113.41 1whm n GLY 27 Ca 0.07 -1.38 -0.24 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.56 2.63 -0.10 2.61 2.01 -0.63 -0.02 115.64 119.58 1whm s THR 28 Ca 0.06 -2.28 -0.12 0.00 0.31 0.00 0.00 61.69 59.66 1whm s THR 28 Cb -0.00 -2.37 -0.05 0.00 0.01 0.00 0.00 72.50 70.09 1whm s THR 28 CO 0.04 -0.36 0.28 -0.69 -0.69 0.00 0.00 174.62 173.20 1whm s VAL 29 N -2.38 5.28 0.00 3.82 1.01 -0.15 0.01 120.40 128.00 1whm s VAL 29 Ca 0.29 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.81 1whm s VAL 29 Cb -0.06 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1whm s VAL 29 CO 0.15 0.52 0.00 2.30 0.00 0.00 0.00 175.10 178.07 1whm n ILE 30 N 2.57 0.00 -4.35 2.22 -5.35 -1.16 -1.21 119.36 112.08 1whm n ILE 30 Ca -0.15 0.00 -0.18 0.00 -0.27 0.00 0.00 62.75 62.15 1whm n ILE 30 Cb 0.53 -0.23 -0.10 0.00 -1.74 0.00 0.00 39.64 38.10 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 -1.37 1.69 -0.30 4.28 5.36 -1.18 -4.90 117.98 121.56 1whm s PHE 31 Ca 0.00 -0.70 -0.13 0.00 -0.96 0.00 0.00 56.93 55.13 1whm s PHE 31 Cb 0.00 -0.89 0.18 0.00 -0.34 0.00 0.00 43.02 41.97 1whm s PHE 31 CO 0.00 0.22 1.06 0.00 -1.46 0.00 0.00 175.22 175.03 1whm s ASP 33 N 2.91 -0.02 0.88 0.00 -1.08 0.11 -4.68 116.67 114.79 1whm s ASP 33 Ca -0.01 -0.24 -0.13 0.00 -0.52 0.00 0.00 52.55 51.64 1whm s ASP 33 Cb -0.10 0.20 0.14 0.00 -1.46 0.00 0.00 42.92 41.70 1whm s ASP 33 CO -0.11 -0.39 1.24 0.68 0.52 0.00 0.00 175.17 177.10 1whm s VAL 34 N -2.17 2.02 0.15 1.11 -7.23 -1.26 -0.43 120.40 112.58 1whm s VAL 34 Ca 0.24 -0.03 0.09 0.00 -1.81 0.00 0.00 61.98 60.47 1whm s VAL 34 Cb 0.01 -2.99 -0.04 0.00 0.56 0.00 0.00 36.38 33.92 1whm s VAL 34 CO -0.01 0.00 -0.17 -0.76 -0.31 0.00 0.00 175.10 173.85 1whm s LEU 35 N -5.70 2.72 -0.01 1.32 1.43 -1.26 -4.82 118.68 112.35 1whm s LEU 35 Ca 0.68 -0.63 -0.36 0.00 -1.03 0.00 0.00 54.13 52.79 1whm s LEU 35 Cb -0.07 -1.49 -0.14 0.00 0.03 0.00 0.00 46.19 44.51 1whm s LEU 35 CO 0.51 0.14 1.63 -2.65 0.23 0.00 0.00 176.35 176.21 1whm n PRO 36 N 0.47 1.71 -2.11 1.29 -0.02 -1.26 -0.60 135.00 134.48 1whm n PRO 36 Ca -0.14 0.62 -0.20 0.00 -2.02 0.00 0.00 63.50 61.77 1whm n PRO 36 Cb 0.54 -2.36 -0.04 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 3.61 0.35 1.38 -1.23 0.00 -1.26 -4.80 105.19 103.23 1whm n GLY 37 Ca 0.21 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.75 0.00 0.11 1.61 5.02 0.23 -4.89 118.16 117.50 1whm n LYS 38 Ca -0.22 -1.75 -0.02 0.00 -2.02 0.00 0.00 58.31 54.29 1whm n LYS 38 Cb 0.67 0.12 0.19 0.00 -0.02 0.00 0.00 35.03 35.99 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 0.75 0.14 0.00 1.97 5.08 -1.85 -2.91 114.58 117.77 1whm h GLU 39 Ca -0.31 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 57.91 1whm h GLU 39 Cb 1.78 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 31.03 1whm h GLU 39 CO 0.00 0.64 -0.24 0.77 -1.00 0.00 0.00 179.01 179.19 1whm h SER 40 N 0.11 0.00 0.22 1.42 0.02 -1.92 -3.02 113.55 110.38 1whm h SER 40 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1whm h SER 40 Cb 0.99 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 1whm h SER 40 CO 0.08 0.24 -0.16 -0.07 -1.14 0.00 0.00 176.83 175.78 1whm h LEU 41 N 0.00 -0.41 0.00 5.07 3.38 -1.90 -3.49 115.31 117.96 1whm h LEU 41 Ca -0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1whm h LEU 41 Cb 0.43 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1whm h LEU 41 CO 0.03 -0.25 0.00 0.61 0.09 0.00 0.00 178.44 178.92 1whm n GLY 42 N -1.28 -0.54 2.70 0.83 0.00 -1.14 -5.07 105.19 100.68 1whm n GLY 42 Ca -0.09 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.75 1.62 0.68 1.61 2.02 -1.26 -4.55 117.35 115.73 1whm s TYR 43 Ca 0.00 -1.85 -0.16 0.00 -0.37 0.00 0.00 57.07 54.68 1whm s TYR 43 Cb 0.00 -1.65 0.01 0.00 -0.40 0.00 0.00 41.96 39.92 1whm s TYR 43 CO 0.00 -0.85 1.22 -0.06 -1.57 0.00 0.00 175.55 174.30 1whm s PHE 44 N 1.29 2.13 -0.04 2.71 0.08 0.43 -3.64 117.98 120.93 1whm s PHE 44 Ca 0.12 1.56 -0.02 0.00 0.12 0.00 0.00 56.93 58.71 1whm s PHE 44 Cb -0.19 -3.52 0.02 0.00 -0.57 0.00 0.00 43.02 38.76 1whm s PHE 44 CO -0.17 -2.59 0.09 0.08 -0.10 0.00 0.00 175.22 172.52 1whm s VAL 45 N -1.78 -0.03 -0.42 -0.44 1.01 0.60 0.08 120.40 119.42 1whm s VAL 45 Ca 0.77 0.11 -0.17 0.00 0.00 0.00 0.00 61.98 62.69 1whm s VAL 45 Cb -0.31 -0.14 0.02 0.00 0.00 0.00 0.00 36.38 35.94 1whm s VAL 45 CO 0.42 0.04 0.40 -0.83 0.00 0.00 0.00 175.10 175.13 1whm s GLY 46 N 0.63 1.92 -0.20 4.51 0.00 -0.93 -1.31 107.32 111.94 1whm s GLY 46 Ca -0.05 -1.56 -0.11 0.00 0.00 0.00 0.00 44.72 43.00 1whm s GLY 46 CO -0.02 1.10 0.16 0.14 0.00 0.00 0.00 173.10 174.47 1whm s VAL 47 N 2.01 5.39 -0.69 1.40 1.01 0.12 -2.96 120.40 126.68 1whm s VAL 47 Ca 0.10 0.25 -0.18 0.00 0.00 0.00 0.00 61.98 62.15 1whm s VAL 47 Cb -0.18 -3.50 0.13 0.00 0.00 0.00 0.00 36.38 32.84 1whm s VAL 47 CO 0.13 0.43 0.76 -0.62 0.00 0.00 0.00 175.10 175.80 1whm s ASP 48 N 0.41 6.37 0.83 3.32 2.15 0.10 -0.41 116.67 129.44 1whm s ASP 48 Ca 0.09 -1.82 -0.11 0.00 0.43 0.00 0.00 52.55 51.15 1whm s ASP 48 Cb -0.11 -2.29 0.09 0.00 -0.30 0.00 0.00 42.92 40.31 1whm s ASP 48 CO -0.01 -0.97 1.10 -0.04 -0.17 0.00 0.00 175.17 175.08 1whm s MET 49 N 2.06 1.80 0.08 4.34 -1.94 -0.95 -1.60 119.30 123.09 1whm s MET 49 Ca 0.15 1.15 -0.05 0.00 -1.71 0.00 0.00 55.69 55.22 1whm s MET 49 Cb -0.19 -1.85 -0.25 0.00 2.01 0.00 0.00 34.83 34.55 1whm s MET 49 CO 0.00 -1.96 1.16 0.22 -0.01 0.00 0.00 175.02 174.44 1whm h ASP 50 N -1.36 0.48 -3.29 3.03 3.58 -1.91 -3.45 116.42 113.51 1whm h ASP 50 Ca -0.45 -0.49 -0.51 0.00 0.42 0.00 0.00 57.03 56.00 1whm h ASP 50 Cb 1.25 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 42.14 1whm h ASP 50 CO 0.50 1.36 -0.09 0.20 -2.88 0.00 0.00 179.24 178.33 1whm s ASN 51 N -7.17 6.46 -0.84 2.28 -0.87 -1.26 -4.96 114.94 108.57 1whm s ASN 51 Ca -0.05 0.78 -0.10 0.00 -1.57 0.00 0.00 52.86 51.93 1whm s ASN 51 Cb 0.07 -2.17 -0.08 0.00 -0.02 0.00 0.00 41.25 39.05 1whm s ASN 51 CO 0.89 -0.23 2.01 -0.81 -2.57 0.00 0.00 177.10 176.38 1whm n PRO 52 N -1.02 1.84 -0.43 -0.60 -0.04 -1.26 -4.33 135.00 129.15 1whm n PRO 52 Ca -0.01 -1.52 0.06 0.00 -0.04 0.00 0.00 63.50 61.99 1whm n PRO 52 Cb 0.54 -2.56 0.19 0.00 -0.04 0.00 0.00 33.50 31.63 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 4.74 2.16 -1.91 0.52 -5.35 -0.66 -4.90 119.36 113.95 1whm n ILE 53 Ca 0.44 -2.72 -0.20 0.00 -0.27 0.00 0.00 62.75 60.00 1whm n ILE 53 Cb 0.20 -0.25 0.13 0.00 -1.74 0.00 0.00 39.64 37.98 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 -1.18 -0.80 1.43 3.28 0.00 0.29 -4.86 105.19 103.36 1whm n GLY 54 Ca 0.20 -1.79 -0.01 0.00 0.00 0.00 0.00 46.02 44.43 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 -3.42 -0.31 -3.66 1.61 6.94 -1.08 -4.41 115.26 110.93 1whm n ASN 55 Ca 0.12 -1.04 -0.07 0.00 -0.02 0.00 0.00 54.58 53.56 1whm n ASN 55 Cb 0.42 0.13 -0.08 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 -0.89 0.04 -2.53 -0.00 -1.21 -4.95 118.94 109.43 1whm s TRP 56 Ca 0.01 1.70 0.08 0.00 -0.00 0.00 0.00 56.10 57.89 1whm s TRP 56 Cb 0.07 0.43 -0.23 0.00 -0.00 0.00 0.00 33.47 33.75 1whm s TRP 56 CO -0.02 -0.49 0.99 0.22 -0.00 0.00 0.00 176.95 177.65 1whm h ASP 57 N 7.74 0.06 0.00 5.86 1.82 -1.86 -2.05 116.42 127.99 1whm h ASP 57 Ca -0.23 -0.08 0.00 0.00 -0.39 0.00 0.00 57.03 56.33 1whm h ASP 57 Cb 1.14 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.13 1whm h ASP 57 CO 0.16 1.06 0.00 0.61 -1.61 0.00 0.00 179.24 179.47 1whm n GLY 58 N 1.47 0.99 3.37 -0.78 0.00 -1.26 -2.89 105.19 106.09 1whm n GLY 58 Ca -0.08 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.78 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 0.02 1.71 -0.34 1.61 0.52 -1.26 -2.00 118.95 119.22 1whm s ARG 59 Ca 0.00 -1.80 0.01 0.00 -0.52 0.00 0.00 55.73 53.43 1whm s ARG 59 Cb 0.00 0.37 0.14 0.00 0.52 0.00 0.00 34.95 35.99 1whm s ARG 59 CO 0.00 -0.66 0.31 0.12 0.02 0.00 0.00 175.30 175.09 1whm s PHE 60 N -3.45 -0.16 -1.68 -0.53 5.36 0.24 -4.87 117.98 112.89 1whm s PHE 60 Ca 0.35 -0.76 -0.01 0.00 -0.96 0.00 0.00 56.93 55.55 1whm s PHE 60 Cb 0.02 -0.53 0.00 0.00 -0.34 0.00 0.00 43.02 42.17 1whm s PHE 60 CO 0.21 -0.93 0.07 -0.25 -1.46 0.00 0.00 175.22 172.86 1whm n ASP 61 N 4.58 -5.73 0.00 6.13 8.00 -1.26 -2.74 116.55 125.53 1whm n ASP 61 Ca 0.06 -0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1whm n ASP 61 Cb 0.44 -4.73 0.00 0.00 -0.02 0.00 0.00 41.12 36.81 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 -1.08 3.39 3.76 0.44 0.00 -1.26 -5.08 105.19 105.36 1whm n GLY 62 Ca -0.22 -0.96 -0.38 0.00 0.00 0.00 0.00 46.02 44.45 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 2.42 0.03 1.61 0.11 -1.11 -4.99 120.40 118.47 1whm s VAL 63 Ca 0.00 0.33 -0.07 0.00 -2.93 0.00 0.00 61.98 59.31 1whm s VAL 63 Cb 0.00 -3.17 -0.05 0.00 -1.53 0.00 0.00 36.38 31.63 1whm s VAL 63 CO 0.00 0.01 0.30 -1.58 -3.33 0.00 0.00 175.10 170.50 1whm s GLN 64 N -2.72 3.62 0.00 1.54 2.00 -1.26 0.79 119.66 123.63 1whm s GLN 64 Ca 0.66 -0.02 0.00 0.00 -2.00 0.00 0.00 55.36 54.00 1whm s GLN 64 Cb -0.37 -3.05 0.00 0.00 0.80 0.00 0.00 33.01 30.38 1whm s GLN 64 CO 0.45 0.62 0.00 1.28 -0.50 0.00 0.00 175.29 177.15 1whm n LEU 65 N 1.03 0.08 -4.18 3.68 4.77 -0.85 -4.91 117.00 116.63 1whm n LEU 65 Ca -0.10 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.48 1whm n LEU 65 Cb 0.53 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.53 1whm n LEU 65 CO 0.42 -0.32 0.05 0.00 -1.33 0.00 0.00 177.39 176.21 1whm h SER 67 N 7.82 0.00 -0.82 0.00 0.02 -1.88 -2.79 113.55 115.89 1whm h SER 67 Ca -0.09 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.39 1whm h SER 67 Cb 1.02 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 63.32 1whm h SER 67 CO 0.77 0.16 0.61 0.49 -1.14 0.00 0.00 176.83 177.72 1whm n PHE 68 N -3.42 2.58 -4.38 3.45 3.01 -1.26 -4.93 117.46 112.51 1whm n PHE 68 Ca -0.01 -2.00 -0.26 0.00 1.01 0.00 0.00 57.45 56.20 1whm n PHE 68 Cb 0.35 -0.99 -0.10 0.00 -0.01 0.00 0.00 39.48 38.72 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 -2.87 2.80 -0.22 4.37 0.00 -1.05 -4.92 121.76 119.87 1whm s ALA 69 Ca 0.49 -1.65 -0.13 0.00 0.00 0.00 0.00 51.96 50.67 1whm s ALA 69 Cb 0.40 -0.50 0.07 0.00 0.00 0.00 0.00 23.12 23.09 1whm s ALA 69 CO 0.05 0.38 0.55 0.00 0.00 0.00 0.00 175.76 176.74 1whm n VAL 71 N 4.20 1.10 0.00 0.00 3.14 -0.80 -2.85 118.33 123.12 1whm n VAL 71 Ca -0.21 -1.13 0.00 0.00 -2.96 0.00 0.00 64.34 60.04 1whm n VAL 71 Cb 0.57 -2.10 0.00 0.00 -1.06 0.00 0.00 33.84 31.25 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 8.15 0.00 0.00 1.45 4.07 -1.26 -4.77 120.64 128.29 1whm n GLU 72 Ca 0.44 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.54 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 -0.91 1.15 -4.76 4.31 7.64 -1.13 0.11 113.62 120.02 1whm n SER 73 Ca 0.00 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.49 1whm n SER 73 Cb 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 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 -1.63 2.13 -0.16 0.44 2.01 -1.14 -2.24 115.64 115.05 1whm s THR 74 Ca 0.00 0.11 -0.05 0.00 0.31 0.00 0.00 61.69 62.06 1whm s THR 74 Cb 0.00 -3.06 0.08 0.00 0.01 0.00 0.00 72.50 69.53 1whm s THR 74 CO 0.00 0.01 0.31 -0.63 -0.69 0.00 0.00 174.62 173.62 1whm s ILE 75 N -1.26 -0.49 -0.33 1.82 1.01 0.45 -2.62 121.20 119.78 1whm s ILE 75 Ca 0.65 0.21 -0.20 0.00 0.00 0.00 0.00 60.65 61.31 1whm s ILE 75 Cb -0.42 -0.54 -0.01 0.00 0.01 0.00 0.00 42.46 41.50 1whm s ILE 75 CO 0.52 0.07 0.59 -0.22 0.00 0.00 0.00 174.94 175.90 1whm s LEU 76 N 2.48 4.22 0.00 2.97 2.96 -1.26 -0.70 118.68 129.35 1whm s LEU 76 Ca 0.01 0.23 0.01 0.00 -0.22 0.00 0.00 54.13 54.16 1whm s LEU 76 Cb -0.12 -2.73 -0.00 0.00 0.50 0.00 0.00 46.19 43.83 1whm s LEU 76 CO -0.10 -0.50 0.44 0.18 -1.32 0.00 0.00 176.35 175.05 1whm n LEU 77 N 5.87 0.00 -4.75 -0.68 4.77 -0.43 -4.88 117.00 116.90 1whm n LEU 77 Ca -0.02 -3.04 -0.41 0.00 -0.03 0.00 0.00 56.01 52.51 1whm n LEU 77 Cb 0.49 2.36 -0.04 0.00 -2.33 0.00 0.00 43.42 43.90 1whm n LEU 77 CO 0.46 -0.64 0.81 -2.28 -1.33 0.00 0.00 177.39 174.41 1whm s HIS 78 N -3.00 3.56 0.30 -1.77 2.46 -1.26 -0.30 115.29 115.28 1whm s HIS 78 Ca 0.33 1.62 0.06 0.00 0.47 0.00 0.00 55.06 57.54 1whm s HIS 78 Cb -0.00 -3.31 0.79 0.00 -0.13 0.00 0.00 32.58 29.93 1whm s HIS 78 CO 0.24 -0.68 1.72 0.97 -2.47 0.00 0.00 174.74 174.52 1whm h ILE 79 N 3.43 0.53 -0.34 0.89 2.10 -1.91 0.74 117.51 122.95 1whm h ILE 79 Ca -0.45 -0.18 0.10 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 36.90 1whm h ILE 79 CO 0.70 0.09 0.26 0.78 -1.08 0.00 0.00 178.15 178.91 1whm h ASN 80 N 0.51 0.00 0.95 2.19 2.35 -1.91 0.29 115.58 119.97 1whm h ASN 80 Ca 0.59 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 56.25 1whm h ASN 80 Cb 1.10 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.46 1whm h ASN 80 CO -0.49 0.00 -0.43 -0.78 -1.65 0.00 0.00 177.43 174.08 1whm h ASP 81 N 0.00 0.00 -3.99 5.81 3.58 0.13 -3.45 116.42 118.51 1whm h ASP 81 Ca 0.16 0.00 -0.46 0.00 0.42 0.00 0.00 57.03 57.15 1whm h ASP 81 Cb 0.68 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.72 1whm h ASP 81 CO -0.00 0.43 0.36 -0.63 -2.88 0.00 0.00 179.24 176.52 1whm s ILE 82 N -3.46 4.16 -0.43 2.25 1.01 0.10 -1.27 121.20 123.56 1whm s ILE 82 Ca 0.01 1.53 0.02 0.00 0.00 0.00 0.00 60.65 62.21 1whm s ILE 82 Cb 0.10 -3.73 0.14 0.00 0.01 0.00 0.00 42.46 38.98 1whm s ILE 82 CO 0.70 -0.11 0.24 -0.63 0.00 0.00 0.00 174.94 175.14 1whm s ILE 83 N -1.89 1.29 1.20 2.92 1.01 0.23 -4.92 121.20 121.04 1whm s ILE 83 Ca 0.58 -2.49 -0.20 0.00 0.00 0.00 0.00 60.65 58.54 1whm s ILE 83 Cb -0.15 -1.91 0.30 0.00 0.01 0.00 0.00 42.46 40.71 1whm s ILE 83 CO 0.20 -0.91 1.11 -2.65 0.00 0.00 0.00 174.94 172.69 1whm n PRO 84 N 3.58 -2.98 -3.10 2.79 -0.02 -1.26 -0.63 135.00 133.39 1whm n PRO 84 Ca 0.09 -1.76 -0.28 0.00 -2.02 0.00 0.00 63.50 59.53 1whm n PRO 84 Cb 0.35 -1.60 -0.05 0.00 -0.02 0.00 0.00 33.50 32.17 1whm n PRO 84 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1whm n GLU 85 N -4.73 3.08 -1.91 -0.52 1.02 -1.25 -4.82 120.64 111.51 1whm n GLU 85 Ca 0.15 -4.80 -0.31 0.00 -0.02 0.00 0.00 57.16 52.18 1whm n GLU 85 Cb 0.58 -2.26 0.04 0.00 -0.02 0.00 0.00 31.44 29.78 1whm n GLU 85 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1whm n SER 86 N 0.15 6.26 -3.92 1.62 7.64 -1.26 -4.87 113.62 119.24 1whm n SER 86 Ca 0.31 -3.78 -0.30 0.00 1.01 0.00 0.00 58.87 56.11 1whm n SER 86 Cb 0.39 -0.72 -0.14 0.00 -1.01 0.00 0.00 64.21 62.74 1whm n SER 86 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1whm s SER 87 N -2.51 4.22 0.00 6.43 0.01 -1.26 -4.96 113.70 115.63 1whm s SER 87 Ca 0.54 -2.95 0.00 0.00 1.31 0.00 0.00 55.95 54.85 1whm s SER 87 Cb 0.44 -1.55 0.00 0.00 0.21 0.00 0.00 66.02 65.12 1whm s SER 87 CO -0.14 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 173.89 1whm n GLY 88 N 3.18 2.62 0.12 3.44 0.00 -1.26 -5.03 105.19 108.27 1whm n GLY 88 Ca 0.05 -0.87 -0.13 0.00 0.00 0.00 0.00 46.02 45.07 1whm n GLY 88 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1whm h PRO 89 N 0.00 0.31 0.00 1.61 0.13 -2.03 -3.41 132.00 128.61 1whm h PRO 89 Ca 0.00 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1whm h PRO 89 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1whm h PRO 89 CO 0.00 0.69 -0.97 0.43 -0.23 0.00 0.00 178.00 177.92 1whm n SER 90 N -4.61 3.15 -1.40 1.44 7.64 -1.26 -5.15 113.62 113.43 1whm n SER 90 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 1whm n SER 90 Cb 0.33 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 1whm n SER 90 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1whm n SER 91 N -2.57 -7.54 0.00 6.43 2.88 -1.26 -5.09 113.62 106.47 1whm n SER 91 Ca 0.00 1.61 0.00 0.00 -1.33 0.00 0.00 58.87 59.15 1whm n SER 91 Cb 0.49 -4.38 0.00 0.00 -0.75 0.00 0.00 64.21 59.57 1whm n SER 91 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42