#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 6.37 -0.97 1.61 0.15 -1.26 -4.92 113.70 114.67 1whm s SER 2 Ca 0.00 1.04 -0.24 0.00 0.70 0.00 0.00 55.95 57.45 1whm s SER 2 Cb 0.00 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.73 1whm s SER 2 CO 0.00 -1.37 1.91 -0.44 1.20 0.00 0.00 173.24 174.54 1whm s SER 3 N 3.93 5.24 -0.23 5.45 0.01 -1.26 -4.68 113.70 122.16 1whm s SER 3 Ca 0.63 -0.96 -0.10 0.00 1.31 0.00 0.00 55.95 56.84 1whm s SER 3 Cb -0.16 -2.57 -0.18 0.00 0.21 0.00 0.00 66.02 63.32 1whm s SER 3 CO 0.30 -2.71 -0.05 0.61 0.41 0.00 0.00 173.24 171.81 1whm n GLY 4 N 6.62 -0.53 0.08 3.44 0.00 -1.26 -4.75 105.19 108.79 1whm n GLY 4 Ca 0.41 -0.12 -0.09 0.00 0.00 0.00 0.00 46.02 46.21 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 -3.85 1.83 -4.53 1.61 7.64 -1.26 -4.81 113.62 110.25 1whm n SER 5 Ca -0.43 0.57 -0.43 0.00 1.01 0.00 0.00 58.87 59.59 1whm n SER 5 Cb 0.91 -0.89 -0.05 0.00 -1.01 0.00 0.00 64.21 63.17 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 -6.04 6.37 0.00 6.43 0.01 -1.26 -4.91 113.70 114.29 1whm s SER 6 Ca -0.19 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 56.80 1whm s SER 6 Cb 0.03 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.88 1whm s SER 6 CO 0.32 -0.97 0.00 0.61 0.41 0.00 0.00 173.24 173.61 1whm n GLY 7 N 5.04 4.88 3.66 3.44 0.00 -1.26 -4.73 105.19 116.21 1whm n GLY 7 Ca 0.01 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.97 1.62 0.42 1.61 -0.02 -1.26 -4.94 135.00 130.46 1whm n PRO 8 Ca 0.00 0.58 -0.20 0.00 -2.02 0.00 0.00 63.50 61.86 1whm n PRO 8 Cb 0.00 -2.23 -0.10 0.00 -0.02 0.00 0.00 33.50 31.15 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 1.75 -1.14 -6.94 0.52 0.11 -1.96 -3.43 132.00 120.91 1whm h PRO 9 Ca -0.46 0.08 -0.55 0.00 0.11 0.00 0.00 66.00 65.18 1whm h PRO 9 Cb 1.32 0.26 0.12 0.00 0.11 0.00 0.00 31.00 32.80 1whm h PRO 9 CO 0.58 -0.76 0.69 -0.11 -0.21 0.00 0.00 178.00 178.19 1whm n LEU 10 N -5.62 4.83 -4.72 2.35 7.94 -1.26 -4.97 117.00 115.56 1whm n LEU 10 Ca -0.15 1.15 -0.39 0.00 -1.11 0.00 0.00 56.01 55.51 1whm n LEU 10 Cb 0.50 -1.59 -0.05 0.00 0.53 0.00 0.00 43.42 42.80 1whm n LEU 10 CO 0.35 -0.14 0.32 -1.61 -1.11 0.00 0.00 177.39 175.19 1whm s GLU 11 N -2.30 4.40 0.60 1.96 2.02 -1.26 -5.01 118.70 119.11 1whm s GLU 11 Ca 0.59 0.73 -0.17 0.00 0.02 0.00 0.00 54.97 56.14 1whm s GLU 11 Cb -0.47 -3.44 -0.03 0.00 0.10 0.00 0.00 34.13 30.29 1whm s GLU 11 CO 0.59 0.10 1.10 0.42 0.02 0.00 0.00 175.26 177.49 1whm s ILE 12 N 0.72 3.39 -1.72 -1.63 -1.09 -1.26 -3.32 121.20 116.29 1whm s ILE 12 Ca 0.34 0.73 -0.02 0.00 -2.23 0.00 0.00 60.65 59.47 1whm s ILE 12 Cb -0.17 -3.25 0.00 0.00 -1.58 0.00 0.00 42.46 37.47 1whm s ILE 12 CO 0.15 -0.32 0.20 0.59 -1.23 0.00 0.00 174.94 174.33 1whm n ASN 13 N -1.89 -6.01 -4.75 3.58 4.13 -0.51 -4.96 115.26 104.85 1whm n ASN 13 Ca 0.10 -0.11 -0.31 0.00 1.68 0.00 0.00 54.58 55.95 1whm n ASN 13 Cb 0.52 -4.95 -0.08 0.00 -1.54 0.00 0.00 39.78 33.74 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 -2.27 4.16 -0.22 6.41 0.01 -1.21 -4.91 113.70 115.67 1whm s SER 14 Ca 0.10 -1.51 -0.09 0.00 1.31 0.00 0.00 55.95 55.76 1whm s SER 14 Cb -0.04 0.25 -0.05 0.00 0.21 0.00 0.00 66.02 66.39 1whm s SER 14 CO 0.12 -0.78 0.12 -0.13 0.41 0.00 0.00 173.24 172.99 1whm s ARG 15 N -3.89 4.02 -0.15 12.44 1.81 -1.26 -1.83 118.95 130.08 1whm s ARG 15 Ca 0.18 -0.31 -0.15 0.00 -1.72 0.00 0.00 55.73 53.73 1whm s ARG 15 Cb 0.03 -3.41 0.04 0.00 -0.45 0.00 0.00 34.95 31.16 1whm s ARG 15 CO 0.10 0.13 0.41 0.14 -0.68 0.00 0.00 175.30 175.40 1whm s VAL 16 N 0.82 0.00 0.63 3.52 -7.23 -0.47 -3.77 120.40 113.90 1whm s VAL 16 Ca 0.06 -0.01 0.02 0.00 -1.81 0.00 0.00 61.98 60.24 1whm s VAL 16 Cb -0.13 -0.59 0.08 0.00 0.56 0.00 0.00 36.38 36.31 1whm s VAL 16 CO 0.02 -0.01 0.87 -0.44 -0.31 0.00 0.00 175.10 175.23 1whm s SER 17 N 0.17 4.84 -0.01 4.85 0.01 0.14 0.11 113.70 123.80 1whm s SER 17 Ca -0.00 -0.33 -0.01 0.00 1.31 0.00 0.00 55.95 56.92 1whm s SER 17 Cb -0.03 -0.28 0.00 0.00 0.21 0.00 0.00 66.02 65.93 1whm s SER 17 CO 0.01 -1.49 0.02 -0.76 0.41 0.00 0.00 173.24 171.43 1whm s LEU 18 N -4.90 1.87 -0.71 2.44 1.43 0.23 0.79 118.68 119.83 1whm s LEU 18 Ca 0.62 0.04 -0.26 0.00 -1.03 0.00 0.00 54.13 53.50 1whm s LEU 18 Cb -0.07 0.06 0.04 0.00 0.03 0.00 0.00 46.19 46.24 1whm s LEU 18 CO 0.41 -0.01 1.22 -0.75 0.23 0.00 0.00 176.35 177.45 1whm s LYS 19 N 0.08 3.21 -0.34 1.70 2.20 -0.47 0.19 119.74 126.31 1whm s LYS 19 Ca -0.01 -0.28 -0.07 0.00 -0.36 0.00 0.00 55.97 55.26 1whm s LYS 19 Cb -0.01 -4.17 0.04 0.00 -1.51 0.00 0.00 37.83 32.18 1whm s LYS 19 CO -0.00 -2.05 0.12 0.14 -0.36 0.00 0.00 175.35 173.20 1whm s VAL 20 N 5.40 3.91 0.00 4.02 -7.23 0.52 -4.95 120.40 122.08 1whm s VAL 20 Ca 0.34 -1.08 0.00 0.00 -1.81 0.00 0.00 61.98 59.43 1whm s VAL 20 Cb -0.09 -3.21 0.00 0.00 0.56 0.00 0.00 36.38 33.64 1whm s VAL 20 CO 0.15 -0.18 0.00 0.61 -0.31 0.00 0.00 175.10 175.37 1whm n GLY 21 N 4.84 1.36 0.00 2.32 0.00 -1.26 -2.37 105.19 110.08 1whm n GLY 21 Ca -0.12 0.18 0.02 0.00 0.00 0.00 0.00 46.02 46.09 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 3.06 -4.51 1.61 1.02 -1.26 -5.05 120.64 115.50 1whm n GLU 22 Ca 0.00 -0.01 -0.28 0.00 -0.02 0.00 0.00 57.16 56.84 1whm n GLU 22 Cb 0.00 -0.86 -0.09 0.00 -0.02 0.00 0.00 31.44 30.46 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 -1.76 1.91 0.28 2.62 -1.32 -1.00 -5.15 115.64 111.22 1whm s THR 23 Ca 0.00 -1.92 0.07 0.00 -1.21 0.00 0.00 61.69 58.63 1whm s THR 23 Cb 0.02 -2.83 -0.03 0.00 -1.51 0.00 0.00 72.50 68.15 1whm s THR 23 CO 0.14 0.00 0.25 -0.63 -2.21 0.00 0.00 174.62 172.17 1whm s ILE 24 N -2.72 4.21 -0.05 5.08 -1.09 -1.26 -0.35 121.20 125.02 1whm s ILE 24 Ca 0.31 -1.34 -0.02 0.00 -2.23 0.00 0.00 60.65 57.37 1whm s ILE 24 Cb 0.07 -3.37 0.03 0.00 -1.58 0.00 0.00 42.46 37.61 1whm s ILE 24 CO 0.17 -0.28 0.08 -1.61 -1.23 0.00 0.00 174.94 172.06 1whm s GLU 25 N -3.92 -0.04 0.48 2.79 0.41 0.13 -4.86 118.70 113.69 1whm s GLU 25 Ca 0.36 0.39 -0.23 0.00 -0.41 0.00 0.00 54.97 55.08 1whm s GLU 25 Cb -0.07 -0.39 -0.07 0.00 -1.78 0.00 0.00 34.13 31.81 1whm s GLU 25 CO 0.26 -0.29 1.30 -1.12 -0.49 0.00 0.00 175.26 174.92 1whm s SER 26 N 1.96 5.83 0.00 -0.19 0.01 -1.26 0.76 113.70 120.81 1whm s SER 26 Ca 0.01 2.63 0.00 0.00 1.31 0.00 0.00 55.95 59.91 1whm s SER 26 Cb -0.12 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.48 1whm s SER 26 CO -0.04 -1.18 0.00 0.61 0.41 0.00 0.00 173.24 173.04 1whm n GLY 27 N 0.62 2.85 3.41 3.44 0.00 0.29 -4.06 105.19 111.75 1whm n GLY 27 Ca 0.07 -1.07 -0.21 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.68 1.76 -0.21 2.61 2.01 -0.77 -1.37 115.64 116.99 1whm s THR 28 Ca 0.00 -2.17 -0.09 0.00 0.31 0.00 0.00 61.69 59.74 1whm s THR 28 Cb 0.00 -2.34 -0.05 0.00 0.01 0.00 0.00 72.50 70.13 1whm s THR 28 CO 0.00 -0.38 0.11 -0.69 -0.69 0.00 0.00 174.62 172.97 1whm s VAL 29 N -2.95 5.09 0.00 3.82 1.01 -0.76 -1.44 120.40 125.17 1whm s VAL 29 Ca 0.28 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.34 1whm s VAL 29 Cb 0.02 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 33.06 1whm s VAL 29 CO 0.11 0.41 0.00 2.30 0.00 0.00 0.00 175.10 177.92 1whm n ILE 30 N 3.89 0.00 -4.29 2.22 -5.35 -1.23 -1.43 119.36 113.17 1whm n ILE 30 Ca -0.16 0.00 -0.15 0.00 -0.27 0.00 0.00 62.75 62.17 1whm n ILE 30 Cb 0.52 -0.34 -0.10 0.00 -1.74 0.00 0.00 39.64 37.98 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 -1.53 1.40 -0.31 4.28 5.36 -1.22 -4.94 117.98 121.02 1whm s PHE 31 Ca 0.00 -0.91 -0.12 0.00 -0.96 0.00 0.00 56.93 54.94 1whm s PHE 31 Cb 0.00 -0.79 0.19 0.00 -0.34 0.00 0.00 43.02 42.08 1whm s PHE 31 CO 0.00 -0.05 1.09 0.00 -1.46 0.00 0.00 175.22 174.80 1whm s ASP 33 N 2.52 -0.17 0.94 0.00 1.01 -0.51 -4.66 116.67 115.82 1whm s ASP 33 Ca 0.23 -0.61 -0.12 0.00 0.71 0.00 0.00 52.55 52.76 1whm s ASP 33 Cb 0.01 0.64 0.16 0.00 1.01 0.00 0.00 42.92 44.74 1whm s ASP 33 CO -0.19 -1.20 1.11 0.68 0.21 0.00 0.00 175.17 175.77 1whm s VAL 34 N -3.32 2.20 0.12 -1.27 -7.23 -1.26 -2.15 120.40 107.48 1whm s VAL 34 Ca 0.13 0.07 0.06 0.00 -1.81 0.00 0.00 61.98 60.43 1whm s VAL 34 Cb -0.04 -2.65 -0.04 0.00 0.56 0.00 0.00 36.38 34.21 1whm s VAL 34 CO 0.06 -0.09 -0.02 -0.76 -0.31 0.00 0.00 175.10 173.98 1whm s LEU 35 N -6.25 3.33 -0.11 1.32 1.43 -1.26 -4.84 118.68 112.29 1whm s LEU 35 Ca 0.64 -0.29 -0.37 0.00 -1.03 0.00 0.00 54.13 53.08 1whm s LEU 35 Cb -0.17 -2.05 -0.15 0.00 0.03 0.00 0.00 46.19 43.86 1whm s LEU 35 CO 0.56 0.15 1.68 -2.65 0.23 0.00 0.00 176.35 176.32 1whm n PRO 36 N 0.38 1.52 -2.46 1.29 -0.02 -1.26 -0.57 135.00 133.87 1whm n PRO 36 Ca -0.11 0.56 -0.20 0.00 -2.02 0.00 0.00 63.50 61.72 1whm n PRO 36 Cb 0.53 -2.28 -0.01 0.00 -0.02 0.00 0.00 33.50 31.72 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 3.84 -0.50 2.61 -1.23 0.00 -1.26 -4.85 105.19 103.80 1whm n GLY 37 Ca 0.23 0.01 -0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -3.09 1.42 0.16 1.61 5.02 0.27 -4.89 118.16 118.66 1whm n LYS 38 Ca -0.23 -2.80 0.02 0.00 -2.02 0.00 0.00 58.31 53.28 1whm n LYS 38 Cb 0.68 -0.96 0.23 0.00 -0.02 0.00 0.00 35.03 34.95 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 2.03 0.00 -0.01 1.97 5.08 -1.87 -3.06 114.58 118.72 1whm h GLU 39 Ca -0.23 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.01 1whm h GLU 39 Cb 1.35 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.58 1whm h GLU 39 CO 0.08 0.51 -0.55 0.77 -1.00 0.00 0.00 179.01 178.81 1whm h SER 40 N 0.00 0.04 -0.10 1.42 0.02 -1.93 -3.20 113.55 109.81 1whm h SER 40 Ca -0.01 -0.02 0.02 0.00 -0.84 0.00 0.00 61.79 60.94 1whm h SER 40 Cb 1.06 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.57 1whm h SER 40 CO 0.07 0.59 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.26 1whm h LEU 41 N 0.03 -0.06 0.00 5.07 3.38 -1.92 -3.49 115.31 118.32 1whm h LEU 41 Ca -0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1whm h LEU 41 Cb 0.99 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1whm h LEU 41 CO 0.07 -0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.20 1whm n GLY 42 N -1.14 -0.19 2.49 0.83 0.00 -1.21 -5.05 105.19 100.93 1whm n GLY 42 Ca -0.05 -0.31 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 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 0.66 0.84 1.61 2.02 -1.26 -4.59 117.35 116.64 1whm s TYR 43 Ca 0.00 -1.46 -0.12 0.00 -0.37 0.00 0.00 57.07 55.12 1whm s TYR 43 Cb 0.00 -0.94 0.11 0.00 -0.40 0.00 0.00 41.96 40.72 1whm s TYR 43 CO 0.00 -0.83 1.19 -0.06 -1.57 0.00 0.00 175.55 174.28 1whm s PHE 44 N 1.32 1.72 -0.12 2.71 0.40 -0.92 -3.47 117.98 119.63 1whm s PHE 44 Ca 0.16 1.72 -0.08 0.00 -0.60 0.00 0.00 56.93 58.12 1whm s PHE 44 Cb -0.21 -3.45 0.04 0.00 0.51 0.00 0.00 43.02 39.91 1whm s PHE 44 CO -0.09 -2.86 0.30 0.08 0.70 0.00 0.00 175.22 173.35 1whm s VAL 45 N -2.31 -0.02 -0.42 -0.44 1.01 0.27 -1.42 120.40 117.07 1whm s VAL 45 Ca 0.71 0.08 -0.16 0.00 0.00 0.00 0.00 61.98 62.61 1whm s VAL 45 Cb -0.27 -0.44 0.02 0.00 0.00 0.00 0.00 36.38 35.69 1whm s VAL 45 CO 0.53 0.03 0.35 -0.83 0.00 0.00 0.00 175.10 175.19 1whm s GLY 46 N 0.85 1.96 -0.15 4.51 0.00 -1.18 -0.30 107.32 113.01 1whm s GLY 46 Ca -0.06 -1.64 -0.11 0.00 0.00 0.00 0.00 44.72 42.91 1whm s GLY 46 CO -0.06 1.02 0.21 0.14 0.00 0.00 0.00 173.10 174.41 1whm s VAL 47 N 1.86 5.36 -0.74 1.40 1.01 0.10 -3.43 120.40 125.96 1whm s VAL 47 Ca 0.08 0.37 -0.15 0.00 0.00 0.00 0.00 61.98 62.28 1whm s VAL 47 Cb -0.18 -3.53 0.19 0.00 0.00 0.00 0.00 36.38 32.86 1whm s VAL 47 CO 0.11 0.48 0.70 -0.62 0.00 0.00 0.00 175.10 175.78 1whm s ASP 48 N -0.10 6.58 0.88 3.32 2.15 -0.52 -0.07 116.67 128.91 1whm s ASP 48 Ca 0.14 -2.37 -0.10 0.00 0.43 0.00 0.00 52.55 50.65 1whm s ASP 48 Cb -0.12 -2.22 0.13 0.00 -0.30 0.00 0.00 42.92 40.40 1whm s ASP 48 CO 0.03 -0.69 1.13 -0.04 -0.17 0.00 0.00 175.17 175.43 1whm s MET 49 N 0.76 1.28 0.09 4.34 -1.94 -1.17 -1.84 119.30 120.81 1whm s MET 49 Ca 0.14 1.44 -0.11 0.00 -1.71 0.00 0.00 55.69 55.45 1whm s MET 49 Cb -0.16 -1.77 -0.20 0.00 2.01 0.00 0.00 34.83 34.72 1whm s MET 49 CO -0.05 -2.42 1.22 0.22 -0.01 0.00 0.00 175.02 173.98 1whm h ASP 50 N -1.71 0.80 -3.33 3.03 1.82 -1.93 -3.46 116.42 111.64 1whm h ASP 50 Ca -0.44 -0.65 -0.50 0.00 -0.39 0.00 0.00 57.03 55.06 1whm h ASP 50 Cb 1.26 -0.25 0.01 0.00 0.68 0.00 0.00 39.33 41.03 1whm h ASP 50 CO 0.44 1.45 -0.04 0.20 -1.61 0.00 0.00 179.24 179.69 1whm s ASN 51 N -7.24 6.39 -1.07 2.28 -0.87 -1.26 -4.98 114.94 108.19 1whm s ASN 51 Ca -0.09 0.81 -0.24 0.00 -1.57 0.00 0.00 52.86 51.78 1whm s ASN 51 Cb 0.07 -2.19 -0.08 0.00 -0.02 0.00 0.00 41.25 39.04 1whm s ASN 51 CO 0.91 -0.35 1.96 -2.16 -2.57 0.00 0.00 177.10 174.89 1whm s PRO 52 N -4.03 2.45 -0.00 -0.60 0.04 -1.26 -4.51 135.00 127.09 1whm s PRO 52 Ca 0.46 -0.79 0.17 0.00 0.04 0.00 0.00 61.00 60.88 1whm s PRO 52 Cb -0.10 -5.16 0.28 0.00 0.04 0.00 0.00 34.50 29.56 1whm s PRO 52 CO 0.35 -3.83 1.11 0.44 0.04 0.00 0.00 177.00 175.12 1whm n ILE 53 N 7.89 0.04 -2.59 0.56 -5.35 -1.07 -4.99 119.36 113.86 1whm n ILE 53 Ca 0.43 -0.70 -0.23 0.00 -0.27 0.00 0.00 62.75 61.98 1whm n ILE 53 Cb 0.47 0.81 0.08 0.00 -1.74 0.00 0.00 39.64 39.25 1whm n ILE 53 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1whm s GLY 54 N -1.69 1.78 -0.07 3.28 0.00 0.30 -4.84 107.32 106.08 1whm s GLY 54 Ca 0.23 -1.55 0.03 0.00 0.00 0.00 0.00 44.72 43.43 1whm s GLY 54 CO -0.11 -1.09 0.73 1.16 0.00 0.00 0.00 173.10 173.78 1whm n ASN 55 N -2.66 -0.59 -3.66 1.64 6.94 -0.95 -4.01 115.26 111.96 1whm n ASN 55 Ca 0.12 -1.26 -0.18 0.00 -0.02 0.00 0.00 54.58 53.24 1whm n ASN 55 Cb 0.60 0.23 -0.16 0.00 -2.36 0.00 0.00 39.78 38.09 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 -0.10 -0.41 -2.53 -0.00 -1.12 -4.88 118.94 109.93 1whm s TRP 56 Ca 0.02 0.47 0.05 0.00 -0.00 0.00 0.00 56.10 56.64 1whm s TRP 56 Cb 0.10 -0.34 0.67 0.00 -0.00 0.00 0.00 33.47 33.89 1whm s TRP 56 CO -0.03 -0.26 1.87 -3.47 -0.00 0.00 0.00 176.95 175.06 1whm n ASP 57 N 5.32 3.99 -3.27 5.86 -0.08 -1.26 -1.59 116.55 125.52 1whm n ASP 57 Ca -0.04 -3.47 -0.14 0.00 -1.51 0.00 0.00 54.79 49.63 1whm n ASP 57 Cb 0.50 -0.81 0.05 0.00 2.34 0.00 0.00 41.12 43.20 1whm n ASP 57 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1whm n GLY 58 N -0.86 -1.17 3.27 0.27 0.00 -1.26 -4.57 105.19 100.87 1whm n GLY 58 Ca 0.54 0.56 -0.12 0.00 0.00 0.00 0.00 46.02 47.00 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 -4.32 0.85 -0.26 1.61 0.52 -1.26 -1.25 118.95 114.84 1whm s ARG 59 Ca 0.38 -0.51 -0.03 0.00 -0.52 0.00 0.00 55.73 55.05 1whm s ARG 59 Cb -0.06 0.37 0.11 0.00 0.52 0.00 0.00 34.95 35.89 1whm s ARG 59 CO 0.76 -0.28 0.22 0.12 0.02 0.00 0.00 175.30 176.14 1whm s PHE 60 N -2.67 -0.17 -1.40 -0.53 2.19 0.24 -4.86 117.98 110.78 1whm s PHE 60 Ca -0.04 -0.26 0.00 0.00 0.33 0.00 0.00 56.93 56.96 1whm s PHE 60 Cb -0.00 -0.56 0.00 0.00 -1.31 0.00 0.00 43.02 41.14 1whm s PHE 60 CO -0.04 -0.79 0.00 -3.47 1.83 0.00 0.00 175.22 172.75 1whm n ASP 61 N 5.30 -4.63 0.00 6.13 2.03 -1.26 -2.62 116.55 121.49 1whm n ASP 61 Ca -0.04 0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.41 1whm n ASP 61 Cb 0.46 -3.64 0.00 0.00 -0.72 0.00 0.00 41.12 37.22 1whm n ASP 61 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1whm n GLY 62 N -1.07 2.72 3.78 0.27 0.00 -1.26 -5.07 105.19 104.56 1whm n GLY 62 Ca -0.17 -0.76 -0.37 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.85 3.65 -0.01 1.61 0.11 -1.08 -5.02 120.40 118.82 1whm s VAL 63 Ca 0.00 1.28 -0.17 0.00 -2.93 0.00 0.00 61.98 60.17 1whm s VAL 63 Cb 0.00 -3.67 -0.06 0.00 -1.53 0.00 0.00 36.38 31.12 1whm s VAL 63 CO 0.00 0.03 0.46 -1.58 -3.33 0.00 0.00 175.10 170.68 1whm s GLN 64 N -2.45 4.07 -0.02 1.54 2.00 -1.26 0.79 119.66 124.33 1whm s GLN 64 Ca 0.57 0.50 -0.00 0.00 -2.00 0.00 0.00 55.36 54.43 1whm s GLN 64 Cb -0.23 -3.27 -0.01 0.00 0.80 0.00 0.00 33.01 30.30 1whm s GLN 64 CO 0.29 0.57 -0.01 1.28 -0.50 0.00 0.00 175.29 176.92 1whm n LEU 65 N 2.16 2.59 -3.95 3.68 4.77 -0.38 -4.92 117.00 120.96 1whm n LEU 65 Ca -0.12 -0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.55 1whm n LEU 65 Cb 0.52 -0.05 -0.15 0.00 -2.33 0.00 0.00 43.42 41.40 1whm n LEU 65 CO 0.39 0.46 -0.39 0.00 -1.33 0.00 0.00 177.39 176.52 1whm h SER 67 N 7.87 0.26 0.55 0.00 4.64 -1.89 -2.78 113.55 122.20 1whm h SER 67 Ca -0.14 -0.10 -0.14 0.00 -0.47 0.00 0.00 61.79 60.94 1whm h SER 67 Cb 1.05 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.05 1whm h SER 67 CO 0.45 0.60 -0.63 -0.26 -0.87 0.00 0.00 176.83 176.12 1whm h PHE 68 N 0.22 0.10 -4.19 4.77 0.04 -1.94 -3.45 116.94 112.49 1whm h PHE 68 Ca 0.03 -0.04 -0.54 0.00 2.80 0.00 0.00 57.97 60.22 1whm h PHE 68 Cb 0.73 -0.02 0.17 0.00 2.20 0.00 0.00 35.95 39.03 1whm h PHE 68 CO 0.01 0.69 0.37 0.00 -0.60 0.00 0.00 178.31 178.78 1whm s ALA 69 N -3.62 2.01 -0.22 2.45 0.00 -1.05 -5.04 121.76 116.29 1whm s ALA 69 Ca -0.02 0.87 -0.14 0.00 0.00 0.00 0.00 51.96 52.67 1whm s ALA 69 Cb 0.12 -3.48 0.06 0.00 0.00 0.00 0.00 23.12 19.83 1whm s ALA 69 CO 0.78 -2.05 0.54 0.00 0.00 0.00 0.00 175.76 175.03 1whm s VAL 71 N 1.18 3.26 0.00 0.00 0.11 -0.62 -2.88 120.40 121.45 1whm s VAL 71 Ca -0.07 -0.37 0.00 0.00 -2.93 0.00 0.00 61.98 58.60 1whm s VAL 71 Cb -0.06 -4.03 0.00 0.00 -1.53 0.00 0.00 36.38 30.76 1whm s VAL 71 CO -0.12 -0.49 0.00 1.21 -3.33 0.00 0.00 175.10 172.38 1whm n GLU 72 N 8.41 0.00 0.00 1.54 0.00 -1.26 -4.73 120.64 124.61 1whm n GLU 72 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.59 1whm n GLU 72 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.90 1whm n GLU 72 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1whm n SER 73 N -0.60 1.11 -4.77 4.31 2.88 -1.14 0.11 113.62 115.52 1whm n SER 73 Ca 0.00 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.14 1whm n SER 73 Cb 0.00 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.47 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 -1.69 2.09 -0.14 2.46 2.01 -1.17 -3.06 115.64 116.14 1whm s THR 74 Ca 0.00 0.08 -0.04 0.00 0.31 0.00 0.00 61.69 62.04 1whm s THR 74 Cb 0.00 -3.05 0.06 0.00 0.01 0.00 0.00 72.50 69.52 1whm s THR 74 CO 0.00 0.02 0.13 -0.63 -0.69 0.00 0.00 174.62 173.45 1whm s ILE 75 N -1.16 -0.18 -0.22 1.82 1.01 0.89 -2.25 121.20 121.11 1whm s ILE 75 Ca 0.57 0.03 -0.25 0.00 0.00 0.00 0.00 60.65 60.99 1whm s ILE 75 Cb -0.45 -0.49 -0.01 0.00 0.01 0.00 0.00 42.46 41.53 1whm s ILE 75 CO 0.59 -0.12 0.84 -0.22 0.00 0.00 0.00 174.94 176.04 1whm s LEU 76 N 2.22 4.11 0.37 2.97 2.96 -1.25 -0.72 118.68 129.34 1whm s LEU 76 Ca 0.04 1.10 -0.04 0.00 -0.22 0.00 0.00 54.13 55.01 1whm s LEU 76 Cb -0.15 -3.23 0.02 0.00 0.50 0.00 0.00 46.19 43.34 1whm s LEU 76 CO -0.08 -0.49 0.56 -0.76 -1.32 0.00 0.00 176.35 174.26 1whm s LEU 77 N 2.63 0.86 0.13 -0.68 1.43 0.58 -4.87 118.68 118.75 1whm s LEU 77 Ca 0.37 -1.48 -0.30 0.00 -1.03 0.00 0.00 54.13 51.68 1whm s LEU 77 Cb -0.16 1.80 -0.06 0.00 0.03 0.00 0.00 46.19 47.80 1whm s LEU 77 CO 0.09 -1.43 1.06 -2.28 0.23 0.00 0.00 176.35 174.01 1whm s HIS 78 N -2.70 3.65 0.39 0.29 2.46 -1.26 0.94 115.29 119.07 1whm s HIS 78 Ca 0.28 1.64 0.17 0.00 0.47 0.00 0.00 55.06 57.62 1whm s HIS 78 Cb -0.02 -3.21 1.07 0.00 -0.13 0.00 0.00 32.58 30.30 1whm s HIS 78 CO 0.20 -0.37 1.77 0.97 -2.47 0.00 0.00 174.74 174.84 1whm h ILE 79 N 4.01 0.53 -0.16 0.89 2.10 -1.88 0.85 117.51 123.84 1whm h ILE 79 Ca -0.43 -0.14 0.05 0.00 1.08 0.00 0.00 64.86 65.41 1whm h ILE 79 Cb 1.21 0.07 -0.01 0.00 -1.09 0.00 0.00 36.82 37.01 1whm h ILE 79 CO 0.73 0.08 0.15 0.78 -1.08 0.00 0.00 178.15 178.81 1whm h ASN 80 N 0.42 0.00 1.40 2.19 4.21 -1.91 0.14 115.58 122.03 1whm h ASN 80 Ca 0.60 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 58.00 1whm h ASN 80 Cb 1.46 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.65 1whm h ASN 80 CO -0.32 0.00 -0.54 0.44 -1.29 0.00 0.00 177.43 175.73 1whm h ASP 81 N 0.00 0.00 -4.09 5.81 3.32 0.35 -3.46 116.42 118.36 1whm h ASP 81 Ca 0.08 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.64 1whm h ASP 81 Cb 0.37 0.00 0.05 0.00 0.22 0.00 0.00 39.33 39.97 1whm h ASP 81 CO -0.00 0.54 0.41 -0.63 -1.72 0.00 0.00 179.24 177.83 1whm s ILE 82 N -2.99 3.50 -0.39 0.35 1.01 0.49 -1.36 121.20 121.81 1whm s ILE 82 Ca 0.03 0.92 0.01 0.00 0.00 0.00 0.00 60.65 61.61 1whm s ILE 82 Cb 0.08 -3.37 0.13 0.00 0.01 0.00 0.00 42.46 39.31 1whm s ILE 82 CO 0.75 -0.22 0.20 -0.63 0.00 0.00 0.00 174.94 175.04 1whm s ILE 83 N -1.92 0.92 0.73 2.92 -1.09 0.24 -4.91 121.20 118.08 1whm s ILE 83 Ca 0.69 -2.06 -0.12 0.00 -2.23 0.00 0.00 60.65 56.94 1whm s ILE 83 Cb -0.20 -1.66 0.18 0.00 -1.58 0.00 0.00 42.46 39.20 1whm s ILE 83 CO 0.24 -0.87 0.63 -0.81 -1.23 0.00 0.00 174.94 172.90 1whm n PRO 84 N 3.98 -2.37 -2.49 2.79 -0.04 -1.26 0.27 135.00 135.87 1whm n PRO 84 Ca 0.07 -1.01 -0.33 0.00 -0.04 0.00 0.00 63.50 62.19 1whm n PRO 84 Cb 0.37 -0.97 -0.04 0.00 -0.04 0.00 0.00 33.50 32.82 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 -4.43 3.94 0.00 0.54 2.12 -1.25 -4.76 118.70 114.85 1whm s GLU 85 Ca 0.41 1.07 0.00 0.00 0.36 0.00 0.00 54.97 56.82 1whm s GLU 85 Cb -0.04 -2.13 0.00 0.00 0.26 0.00 0.00 34.13 32.22 1whm s GLU 85 CO 0.32 -0.28 0.00 -1.13 -0.54 0.00 0.00 175.26 173.63 1whm n SER 86 N -1.30 0.00 -3.91 -1.70 3.41 -1.26 -5.09 113.62 103.77 1whm n SER 86 Ca 0.07 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.38 1whm n SER 86 Cb 0.54 0.24 -0.15 0.00 -0.26 0.00 0.00 64.21 64.57 1whm n SER 86 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1whm s SER 87 N -1.51 3.95 0.11 4.04 0.01 -1.26 -5.12 113.70 113.92 1whm s SER 87 Ca 0.00 -1.34 -0.16 0.00 1.31 0.00 0.00 55.95 55.76 1whm s SER 87 Cb 0.00 -1.17 -0.07 0.00 0.21 0.00 0.00 66.02 64.99 1whm s SER 87 CO 0.00 -0.28 0.54 -0.83 0.41 0.00 0.00 173.24 173.08 1whm s GLY 88 N 1.38 2.53 0.16 3.44 0.00 -1.26 -5.00 107.32 108.58 1whm s GLY 88 Ca -0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 44.72 44.60 1whm s GLY 88 CO -0.09 0.25 1.40 -0.56 0.00 0.00 0.00 173.10 174.09 1whm h PRO 89 N 3.95 0.36 -6.31 2.90 0.13 -2.08 -3.41 132.00 127.54 1whm h PRO 89 Ca -0.49 -0.33 -0.57 0.00 -0.87 0.00 0.00 66.00 63.74 1whm h PRO 89 Cb 1.20 0.08 -0.09 0.00 0.13 0.00 0.00 31.00 32.32 1whm h PRO 89 CO 0.65 0.99 0.88 -1.12 -0.23 0.00 0.00 178.00 179.17 1whm s SER 90 N -6.99 6.35 0.18 1.44 0.01 -1.26 -4.98 113.70 108.45 1whm s SER 90 Ca -0.05 -0.16 -0.00 0.00 1.31 0.00 0.00 55.95 57.04 1whm s SER 90 Cb 0.10 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.77 1whm s SER 90 CO 0.84 -1.49 0.09 -0.44 0.41 0.00 0.00 173.24 172.65 1whm s SER 91 N 3.12 0.44 0.00 2.44 0.01 -1.26 -5.23 113.70 113.22 1whm s SER 91 Ca 0.37 -1.30 0.30 0.00 1.31 0.00 0.00 55.95 56.63 1whm s SER 91 Cb -0.09 0.30 1.46 0.00 0.21 0.00 0.00 66.02 67.89 1whm s SER 91 CO 0.21 -0.76 1.98 0.61 0.41 0.00 0.00 173.24 175.69