#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whb s SER 2 N 0.00 4.60 -0.36 1.61 0.01 -1.26 -5.12 113.70 113.18 1whb s SER 2 Ca 0.00 -1.23 0.03 0.00 1.31 0.00 0.00 55.95 56.05 1whb s SER 2 Cb 0.00 0.29 0.15 0.00 0.21 0.00 0.00 66.02 66.67 1whb s SER 2 CO 0.00 -1.01 0.37 -0.55 0.41 0.00 0.00 173.24 172.46 1whb s SER 3 N -4.21 1.14 0.00 2.44 0.15 -1.26 -5.10 113.70 106.87 1whb s SER 3 Ca 0.33 -1.39 0.00 0.00 0.70 0.00 0.00 55.95 55.59 1whb s SER 3 Cb -0.01 0.61 0.00 0.00 -1.71 0.00 0.00 66.02 64.90 1whb s SER 3 CO 0.20 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.97 1whb n GLY 4 N 4.45 1.97 1.10 9.45 0.00 -1.26 -5.08 105.19 115.82 1whb n GLY 4 Ca 0.09 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.65 1whb n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1whb n SER 5 N 0.00 0.53 -3.91 1.61 7.64 -1.26 -5.04 113.62 113.19 1whb n SER 5 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.59 1whb n SER 5 Cb 0.00 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.04 1whb n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1whb s SER 6 N -4.66 3.01 0.00 6.43 1.04 -1.26 -5.10 113.70 113.16 1whb s SER 6 Ca 0.00 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 55.68 1whb s SER 6 Cb 0.00 -0.99 0.00 0.00 0.10 0.00 0.00 66.02 65.13 1whb s SER 6 CO 0.00 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.65 1whb n GLY 7 N 4.83 0.47 2.70 7.32 0.00 -1.26 -5.04 105.19 114.21 1whb n GLY 7 Ca -0.12 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.90 1whb n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1whb n LYS 8 N 0.00 -3.49 0.00 1.61 4.76 -1.26 -5.02 118.16 114.76 1whb n LYS 8 Ca 0.00 2.78 0.00 0.00 -2.87 0.00 0.00 58.31 58.22 1whb n LYS 8 Cb 0.00 -5.34 0.00 0.00 -1.84 0.00 0.00 35.03 27.85 1whb n LYS 8 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1whb s GLU 10 N -1.96 2.46 0.24 0.00 2.56 -1.26 -4.78 118.70 115.96 1whb s GLU 10 Ca 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 54.97 53.38 1whb s GLU 10 Cb 0.00 -3.76 0.00 0.00 2.00 0.00 0.00 34.13 32.37 1whb s GLU 10 CO 0.00 -1.02 0.00 2.41 -0.56 0.00 0.00 175.26 176.09 1whb n THR 11 N 4.84 0.00 0.05 -1.70 -1.04 -1.26 -4.99 114.28 110.18 1whb n THR 11 Ca -0.08 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.91 1whb n THR 11 Cb 0.42 -0.26 -0.01 0.00 -1.82 0.00 0.00 70.33 68.66 1whb n THR 11 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1whb h LYS 12 N 0.00 -0.13 -6.35 -2.82 1.57 -2.01 -3.45 116.57 103.39 1whb h LYS 12 Ca 0.00 0.01 -0.60 0.00 -1.87 0.00 0.00 60.65 58.19 1whb h LYS 12 Cb 0.00 0.03 -0.12 0.00 0.08 0.00 0.00 32.23 32.22 1whb h LYS 12 CO 0.00 -0.09 -0.67 -1.21 -0.57 0.00 0.00 179.45 176.91 1whb s GLU 13 N -3.29 2.31 0.00 3.15 2.02 -1.26 -5.02 118.70 116.60 1whb s GLU 13 Ca -0.02 -1.19 0.00 0.00 0.02 0.00 0.00 54.97 53.78 1whb s GLU 13 Cb 0.00 -2.28 0.00 0.00 0.10 0.00 0.00 34.13 31.95 1whb s GLU 13 CO 0.06 0.44 0.00 1.17 0.02 0.00 0.00 175.26 176.95 1whb n LYS 14 N -0.18 0.00 -1.11 1.61 0.00 -1.26 -4.87 118.16 112.34 1whb n LYS 14 Ca -0.10 0.00 -0.26 0.00 0.00 0.00 0.00 58.31 57.96 1whb n LYS 14 Cb 0.56 -0.20 0.08 0.00 0.00 0.00 0.00 35.03 35.47 1whb n LYS 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1whb n GLY 15 N 1.60 4.88 3.55 3.14 0.00 -1.26 -4.91 105.19 112.19 1whb n GLY 15 Ca 0.00 -1.59 -0.09 0.00 0.00 0.00 0.00 46.02 44.35 1whb n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1whb s ALA 16 N -2.93 -1.65 0.09 4.61 0.00 -1.26 -4.60 121.76 116.02 1whb s ALA 16 Ca 0.50 0.54 0.06 0.00 0.00 0.00 0.00 51.96 53.06 1whb s ALA 16 Cb 0.40 0.67 -0.03 0.00 0.00 0.00 0.00 23.12 24.15 1whb s ALA 16 CO 0.02 -0.81 -0.17 -1.50 0.00 0.00 0.00 175.76 173.30 1whb s ILE 17 N -3.46 1.36 0.78 0.00 2.07 -0.96 -4.86 121.20 116.13 1whb s ILE 17 Ca 0.05 -1.43 -0.03 0.00 -1.41 0.00 0.00 60.65 57.83 1whb s ILE 17 Cb -0.02 -1.29 0.16 0.00 0.13 0.00 0.00 42.46 41.44 1whb s ILE 17 CO -0.07 -0.18 1.07 0.42 -1.91 0.00 0.00 174.94 174.28 1whb s THR 18 N -1.30 2.03 0.09 4.00 -4.23 -1.26 -2.18 115.64 112.78 1whb s THR 18 Ca 0.02 -0.52 -0.02 0.00 -1.18 0.00 0.00 61.69 59.99 1whb s THR 18 Cb -0.10 -2.50 -0.26 0.00 1.34 0.00 0.00 72.50 70.98 1whb s THR 18 CO 0.03 0.00 1.18 0.00 -0.54 0.00 0.00 174.62 175.30 1whb h ALA 19 N -0.77 0.17 -0.03 3.99 0.00 -1.96 -3.13 119.26 117.53 1whb h ALA 19 Ca -0.36 -0.88 -0.14 0.00 0.00 0.00 0.00 54.91 53.53 1whb h ALA 19 Cb 1.25 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1whb h ALA 19 CO 0.37 1.03 -0.63 -0.22 0.00 0.00 0.00 179.25 179.80 1whb h LYS 20 N 0.06 0.11 -0.23 0.00 3.11 -2.00 -2.89 116.57 114.73 1whb h LYS 20 Ca -0.10 -0.08 -0.15 0.00 -2.81 0.00 0.00 60.65 57.51 1whb h LYS 20 Cb 1.90 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 33.14 1whb h LYS 20 CO 0.18 0.70 -0.48 1.49 -2.81 0.00 0.00 179.45 178.53 1whb h GLU 21 N 0.08 0.60 -0.28 1.90 4.81 -1.96 -2.42 114.58 117.31 1whb h GLU 21 Ca -0.01 -0.35 -0.12 0.00 -0.13 0.00 0.00 59.36 58.76 1whb h GLU 21 Cb 1.12 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 1whb h GLU 21 CO 0.09 0.95 -0.31 1.25 -0.73 0.00 0.00 179.01 180.26 1whb h LEU 22 N 0.48 0.60 -0.76 1.64 5.85 -1.48 -2.83 115.31 118.82 1whb h LEU 22 Ca 0.03 -0.23 -0.13 0.00 0.84 0.00 0.00 57.88 58.38 1whb h LEU 22 Cb 1.01 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 1whb h LEU 22 CO 0.09 0.88 -0.59 0.22 -0.34 0.00 0.00 178.44 178.70 1whb h TYR 23 N 0.50 0.14 -0.09 1.25 5.03 -1.42 -0.63 116.97 121.75 1whb h TYR 23 Ca 0.06 -0.05 -0.01 0.00 2.58 0.00 0.00 58.73 61.30 1whb h TYR 23 Cb 0.79 -0.03 -0.00 0.00 1.55 0.00 0.00 36.73 39.04 1whb h TYR 23 CO 0.03 0.67 0.01 1.15 -1.32 0.00 0.00 178.16 178.70 1whb h THR 24 N 0.08 1.23 -0.00 1.81 2.02 -1.22 -2.62 112.91 114.21 1whb h THR 24 Ca -0.00 -0.73 -0.16 0.00 0.77 0.00 0.00 66.41 66.28 1whb h THR 24 Cb 1.06 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.99 1whb h THR 24 CO 0.08 0.21 -0.76 0.24 0.37 0.00 0.00 175.52 175.66 1whb h MET 25 N -0.10 0.04 0.00 6.66 2.86 -1.51 -0.65 114.93 122.23 1whb h MET 25 Ca 0.03 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 1whb h MET 25 Cb 0.32 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.98 1whb h MET 25 CO 0.00 0.78 -0.12 0.52 1.06 0.00 0.00 176.91 179.16 1whb h MET 26 N 0.03 0.00 0.00 1.72 2.07 -1.04 -2.92 114.93 114.79 1whb h MET 26 Ca -0.01 0.00 -0.36 0.00 -2.07 0.00 0.00 59.70 57.26 1whb h MET 26 Cb 1.35 0.00 -0.07 0.00 -1.87 0.00 0.00 31.60 31.01 1whb h MET 26 CO 0.10 0.12 -2.28 -2.37 1.07 0.00 0.00 176.91 173.56 1whb n THR 27 N -4.39 1.45 -1.70 2.22 5.66 -1.00 -4.93 114.28 111.60 1whb n THR 27 Ca -0.03 -0.81 -0.42 0.00 -3.05 0.00 0.00 64.05 59.75 1whb n THR 27 Cb 0.19 -0.72 -0.03 0.00 -1.55 0.00 0.00 70.33 68.22 1whb n THR 27 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1whb s ASP 28 N -5.77 6.43 -0.35 1.09 1.01 -0.26 -4.87 116.67 113.94 1whb s ASP 28 Ca -0.13 2.74 0.07 0.00 0.71 0.00 0.00 52.55 55.94 1whb s ASP 28 Cb 0.07 -2.56 0.66 0.00 1.01 0.00 0.00 42.92 42.10 1whb s ASP 28 CO 0.80 -1.02 1.78 0.29 0.21 0.00 0.00 175.17 177.23 1whb n LYS 29 N 6.22 2.92 -0.02 8.23 4.01 -1.26 -4.19 118.16 134.07 1whb n LYS 29 Ca 0.18 -2.81 -0.02 0.00 -0.51 0.00 0.00 58.31 55.15 1whb n LYS 29 Cb 0.39 -2.12 -0.02 0.00 -0.51 0.00 0.00 35.03 32.77 1whb n LYS 29 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 1whb n ASN 30 N -0.51 3.77 -4.75 4.39 2.85 -1.26 -5.03 115.26 114.71 1whb n ASN 30 Ca 0.46 -0.02 -0.35 0.00 -0.11 0.00 0.00 54.58 54.56 1whb n ASN 30 Cb 1.44 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 42.38 1whb n ASN 30 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1whb s ILE 31 N -2.07 4.71 0.52 -1.44 1.01 -1.26 -5.11 121.20 117.56 1whb s ILE 31 Ca -0.05 -0.13 -0.13 0.00 0.00 0.00 0.00 60.65 60.35 1whb s ILE 31 Cb 0.01 -3.02 -0.06 0.00 0.01 0.00 0.00 42.46 39.40 1whb s ILE 31 CO 0.09 0.59 0.94 -0.94 0.00 0.00 0.00 174.94 175.61 1whb s SER 32 N -1.01 6.47 -0.22 3.58 1.04 -1.26 -4.90 113.70 117.40 1whb s SER 32 Ca 0.15 1.39 -0.29 0.00 0.48 0.00 0.00 55.95 57.68 1whb s SER 32 Cb -0.12 -2.44 0.15 0.00 0.10 0.00 0.00 66.02 63.72 1whb s SER 32 CO 0.04 -0.62 1.15 -0.22 0.98 0.00 0.00 173.24 174.57 1whb s LEU 33 N -4.37 -0.24 0.00 2.42 2.96 -1.26 -3.24 118.68 114.97 1whb s LEU 33 Ca 0.55 0.28 0.00 0.00 -0.22 0.00 0.00 54.13 54.75 1whb s LEU 33 Cb -0.10 1.54 -0.01 0.00 0.50 0.00 0.00 46.19 48.12 1whb s LEU 33 CO 0.38 -0.20 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.56 1whb s ILE 34 N -0.95 0.13 0.01 6.68 1.01 -1.22 -5.01 121.20 121.84 1whb s ILE 34 Ca 0.03 -0.25 0.04 0.00 0.00 0.00 0.00 60.65 60.47 1whb s ILE 34 Cb -0.01 -0.15 -0.03 0.00 0.01 0.00 0.00 42.46 42.27 1whb s ILE 34 CO -0.03 -0.08 -0.10 -0.63 0.00 0.00 0.00 174.94 174.10 1whb s ILE 35 N -0.34 3.43 -0.02 2.92 1.09 -1.26 -1.20 121.20 125.81 1whb s ILE 35 Ca -0.03 -0.86 0.00 0.00 -1.10 0.00 0.00 60.65 58.67 1whb s ILE 35 Cb -0.03 -2.47 0.03 0.00 -1.06 0.00 0.00 42.46 38.93 1whb s ILE 35 CO -0.00 0.40 0.01 -0.04 -0.10 0.00 0.00 174.94 175.20 1whb s MET 36 N -1.37 0.18 -0.51 2.79 -1.94 -0.92 0.11 119.30 117.63 1whb s MET 36 Ca 0.16 0.10 -0.14 0.00 -1.71 0.00 0.00 55.69 54.10 1whb s MET 36 Cb -0.11 -0.38 0.12 0.00 2.01 0.00 0.00 34.83 36.48 1whb s MET 36 CO 0.07 -0.13 0.45 0.16 -0.01 0.00 0.00 175.02 175.55 1whb s ASP 37 N 0.94 6.04 -1.20 3.03 1.47 -1.08 -0.09 116.67 125.78 1whb s ASP 37 Ca -0.09 -1.80 -0.13 0.00 1.18 0.00 0.00 52.55 51.71 1whb s ASP 37 Cb -0.12 -2.15 0.19 0.00 -0.34 0.00 0.00 42.92 40.50 1whb s ASP 37 CO -0.02 -0.80 1.39 0.00 0.68 0.00 0.00 175.17 176.43 1whb s ALA 38 N 1.53 4.11 0.22 2.11 0.00 -1.25 -3.68 121.76 124.80 1whb s ALA 38 Ca 0.04 -3.43 0.00 0.00 0.00 0.00 0.00 51.96 48.56 1whb s ALA 38 Cb -0.28 -4.05 0.00 0.00 0.00 0.00 0.00 23.12 18.78 1whb s ALA 38 CO 0.02 -2.69 0.00 0.54 0.00 0.00 0.00 175.76 173.63 1whb n ARG 39 N 5.24 0.00 -3.72 0.00 3.00 -1.26 -4.76 116.66 115.16 1whb n ARG 39 Ca 0.35 0.00 0.02 0.00 -0.01 0.00 0.00 57.85 58.21 1whb n ARG 39 Cb 0.42 -0.16 0.00 0.00 0.00 0.00 0.00 32.46 32.72 1whb n ARG 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 1whb s ARG 40 N -2.00 0.30 0.02 5.56 3.52 -1.26 -4.32 118.95 120.77 1whb s ARG 40 Ca 0.00 -0.18 -0.05 0.00 -0.13 0.00 0.00 55.73 55.38 1whb s ARG 40 Cb 0.00 0.10 -0.29 0.00 -1.56 0.00 0.00 34.95 33.20 1whb s ARG 40 CO 0.00 -0.14 0.94 1.98 -0.81 0.00 0.00 175.30 177.27 1whb h MET 41 N 2.00 0.28 -0.02 5.12 4.05 -1.93 -3.14 114.93 121.29 1whb h MET 41 Ca -0.29 -0.48 -0.15 0.00 -0.28 0.00 0.00 59.70 58.50 1whb h MET 41 Cb 1.19 0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 32.16 1whb h MET 41 CO 0.30 1.17 -0.69 1.96 0.23 0.00 0.00 176.91 179.88 1whb h GLN 42 N 0.08 0.09 -0.29 0.39 4.20 -2.00 -3.10 115.11 114.48 1whb h GLN 42 Ca -0.22 -0.08 -0.10 0.00 0.06 0.00 0.00 58.65 58.31 1whb h GLN 42 Cb 2.02 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.81 1whb h GLN 42 CO 0.18 0.75 -0.23 -0.44 -0.67 0.00 0.00 178.83 178.42 1whb h ASP 43 N 0.06 0.70 -0.60 1.46 3.32 -1.90 -2.51 116.42 116.95 1whb h ASP 43 Ca -0.01 -0.45 0.01 0.00 0.02 0.00 0.00 57.03 56.59 1whb h ASP 43 Cb 1.23 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.55 1whb h ASP 43 CO 0.10 1.00 0.40 0.22 -1.72 0.00 0.00 179.24 179.24 1whb h TYR 44 N 0.40 0.75 -0.35 4.55 3.20 -1.55 0.63 116.97 124.59 1whb h TYR 44 Ca 0.05 0.02 -0.17 0.00 3.14 0.00 0.00 58.73 61.77 1whb h TYR 44 Cb 0.78 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.80 1whb h TYR 44 CO 0.07 0.47 -0.43 1.96 -1.64 0.00 0.00 178.16 178.59 1whb h GLN 45 N 0.80 0.90 0.01 1.82 4.20 -1.46 -3.30 115.11 118.08 1whb h GLN 45 Ca 0.22 -0.50 -0.03 0.00 0.06 0.00 0.00 58.65 58.40 1whb h GLN 45 Cb -0.07 0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.74 1whb h GLN 45 CO -0.05 1.15 -0.14 0.22 -0.67 0.00 0.00 178.83 179.34 1whb h ASP 46 N 0.72 0.11 -4.41 1.46 3.58 -0.94 -3.47 116.42 113.47 1whb h ASP 46 Ca 0.05 -0.82 -0.32 0.00 0.42 0.00 0.00 57.03 56.36 1whb h ASP 46 Cb 1.03 -0.03 -0.24 0.00 1.72 0.00 0.00 39.33 41.80 1whb h ASP 46 CO 0.10 0.92 -0.75 -0.44 -2.88 0.00 0.00 179.24 176.19 1whb s SER 47 N -6.20 0.93 -0.28 2.28 0.01 0.21 -4.62 113.70 106.03 1whb s SER 47 Ca -0.17 -0.39 -0.27 0.00 1.31 0.00 0.00 55.95 56.43 1whb s SER 47 Cb -0.00 -0.02 0.18 0.00 0.21 0.00 0.00 66.02 66.39 1whb s SER 47 CO 0.71 -0.08 1.35 0.00 0.41 0.00 0.00 173.24 175.64 1whb s ILE 49 N -0.52 3.53 0.28 0.00 1.01 -1.26 -3.04 121.20 121.20 1whb s ILE 49 Ca 0.07 1.18 -0.30 0.00 0.00 0.00 0.00 60.65 61.61 1whb s ILE 49 Cb -0.03 -3.61 -0.10 0.00 0.01 0.00 0.00 42.46 38.73 1whb s ILE 49 CO -0.10 0.01 1.39 -0.76 0.00 0.00 0.00 174.94 175.48 1whb s LEU 50 N -2.70 4.40 -1.30 2.97 1.43 -1.26 -2.79 118.68 119.43 1whb s LEU 50 Ca 0.59 2.66 -0.08 0.00 -1.03 0.00 0.00 54.13 56.27 1whb s LEU 50 Cb -0.24 -3.63 0.01 0.00 0.03 0.00 0.00 46.19 42.35 1whb s LEU 50 CO 0.30 -0.64 1.14 1.41 0.23 0.00 0.00 176.35 178.79 1whb n HIS 51 N 1.79 -2.75 -4.39 0.29 8.25 -1.26 -5.01 115.22 112.15 1whb n HIS 51 Ca 0.04 0.98 -0.23 0.00 -0.26 0.00 0.00 57.72 58.25 1whb n HIS 51 Cb 0.41 -4.93 -0.11 0.00 1.12 0.00 0.00 29.99 26.48 1whb n HIS 51 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1whb s SER 52 N -3.39 3.06 0.48 0.41 1.04 -1.12 -4.71 113.70 109.47 1whb s SER 52 Ca 0.52 -0.91 -0.02 0.00 0.48 0.00 0.00 55.95 56.02 1whb s SER 52 Cb -0.23 -0.21 -0.01 0.00 0.10 0.00 0.00 66.02 65.67 1whb s SER 52 CO 0.71 0.01 0.73 -0.22 0.98 0.00 0.00 173.24 175.45 1whb s LEU 53 N -2.90 3.56 0.29 2.42 2.96 0.30 -4.96 118.68 120.35 1whb s LEU 53 Ca 0.21 0.48 0.06 0.00 -0.22 0.00 0.00 54.13 54.66 1whb s LEU 53 Cb -0.06 -3.35 -0.06 0.00 0.50 0.00 0.00 46.19 43.23 1whb s LEU 53 CO 0.09 -0.75 -0.04 -0.55 -1.32 0.00 0.00 176.35 173.78 1whb s SER 54 N -4.22 2.77 -0.30 3.68 0.15 -1.26 -2.64 113.70 111.88 1whb s SER 54 Ca 0.49 -1.22 -0.12 0.00 0.70 0.00 0.00 55.95 55.80 1whb s SER 54 Cb -0.10 -0.17 0.17 0.00 -1.71 0.00 0.00 66.02 64.21 1whb s SER 54 CO 0.40 -0.38 0.95 0.54 1.20 0.00 0.00 173.24 175.96 1whb s VAL 55 N -3.03 -0.50 0.16 4.45 0.11 -1.24 -4.83 120.40 115.51 1whb s VAL 55 Ca 0.31 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 59.04 1whb s VAL 55 Cb 0.05 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.80 1whb s VAL 55 CO 0.13 0.00 1.58 -2.16 -3.33 0.00 0.00 175.10 171.31 1whb s PRO 56 N 2.76 4.21 0.50 1.54 0.04 -1.26 -4.20 135.00 138.59 1whb s PRO 56 Ca 0.02 2.36 0.16 0.00 0.04 0.00 0.00 61.00 63.59 1whb s PRO 56 Cb -0.10 -3.19 1.22 0.00 0.04 0.00 0.00 34.50 32.48 1whb s PRO 56 CO -0.15 -0.62 2.10 1.49 0.04 0.00 0.00 177.00 179.86 1whb h GLU 57 N 6.94 0.09 -0.30 4.56 4.81 -1.86 -0.94 114.58 127.88 1whb h GLU 57 Ca -0.43 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 58.77 1whb h GLU 57 Cb 1.20 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 1whb h GLU 57 CO 0.92 0.06 0.07 1.49 -0.73 0.00 0.00 179.01 180.82 1whb h GLU 58 N 0.10 0.43 0.01 1.92 4.81 -1.90 -2.27 114.58 117.67 1whb h GLU 58 Ca 0.08 -0.06 -0.19 0.00 -0.13 0.00 0.00 59.36 59.05 1whb h GLU 58 Cb 0.20 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1whb h GLU 58 CO -0.01 0.40 -0.88 0.00 -0.73 0.00 0.00 179.01 177.79 1whb h ALA 59 N 1.66 0.53 -2.04 2.92 0.00 -1.51 -3.42 119.26 117.39 1whb h ALA 59 Ca 0.10 -0.74 -0.59 0.00 0.00 0.00 0.00 54.91 53.68 1whb h ALA 59 Cb 0.17 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 17.79 1whb h ALA 59 CO -0.00 0.95 0.60 0.42 0.00 0.00 0.00 179.25 181.22 1whb s ILE 60 N -3.16 4.59 0.26 0.00 1.01 -0.85 -4.56 121.20 118.48 1whb s ILE 60 Ca -0.02 1.22 0.09 0.00 0.00 0.00 0.00 60.65 61.93 1whb s ILE 60 Cb 0.10 -4.33 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 1whb s ILE 60 CO 0.82 -0.52 0.07 -0.44 0.00 0.00 0.00 174.94 174.87 1whb s SER 61 N 1.86 4.91 -0.51 3.58 0.01 -1.26 -4.90 113.70 117.39 1whb s SER 61 Ca 0.38 -0.49 -0.28 0.00 1.31 0.00 0.00 55.95 56.87 1whb s SER 61 Cb -0.12 -1.05 -0.01 0.00 0.21 0.00 0.00 66.02 65.05 1whb s SER 61 CO 0.18 -0.01 1.68 -2.16 0.41 0.00 0.00 173.24 173.35 1whb s PRO 62 N -3.70 3.08 0.00 12.44 0.04 -1.26 -3.66 135.00 141.94 1whb s PRO 62 Ca 0.32 0.81 0.00 0.00 0.04 0.00 0.00 61.00 62.17 1whb s PRO 62 Cb -0.07 -4.23 0.00 0.00 0.04 0.00 0.00 34.50 30.24 1whb s PRO 62 CO 0.22 -2.18 0.00 0.41 0.04 0.00 0.00 177.00 175.49 1whb n GLY 63 N 5.45 0.76 3.51 0.56 0.00 -1.26 -5.08 105.19 109.13 1whb n GLY 63 Ca 0.18 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 1whb n GLY 63 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1whb n VAL 64 N -1.00 0.00 -3.57 1.61 0.24 -1.24 -5.16 118.33 109.21 1whb n VAL 64 Ca 0.00 -2.41 -0.23 0.00 -2.04 0.00 0.00 64.34 59.66 1whb n VAL 64 Cb 0.35 0.70 0.00 0.00 -1.47 0.00 0.00 33.84 33.42 1whb n VAL 64 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1whb s THR 65 N -2.99 2.11 0.29 3.34 -4.23 -1.26 -4.52 115.64 108.39 1whb s THR 65 Ca 0.12 -1.32 0.09 0.00 -1.18 0.00 0.00 61.69 59.40 1whb s THR 65 Cb 0.01 -2.43 0.01 0.00 1.34 0.00 0.00 72.50 71.42 1whb s THR 65 CO 0.08 0.00 1.67 0.00 -0.54 0.00 0.00 174.62 175.84 1whb h ALA 66 N 0.70 1.08 -0.08 3.99 0.00 -1.95 -2.92 119.26 120.07 1whb h ALA 66 Ca -0.37 -0.48 -0.07 0.00 0.00 0.00 0.00 54.91 53.99 1whb h ALA 66 Cb 1.29 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1whb h ALA 66 CO 0.53 0.66 -0.28 0.66 0.00 0.00 0.00 179.25 180.82 1whb h SER 67 N 0.06 0.15 0.21 0.00 4.64 -1.95 -1.19 113.55 115.46 1whb h SER 67 Ca -0.00 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.26 1whb h SER 67 Cb 0.94 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1whb h SER 67 CO 0.07 0.43 -0.10 -0.25 -0.87 0.00 0.00 176.83 176.11 1whb h TRP 68 N 0.14 -0.26 -0.12 4.77 2.91 -1.92 -2.45 115.95 119.03 1whb h TRP 68 Ca 0.02 -0.01 -0.12 0.00 1.13 0.00 0.00 58.89 59.91 1whb h TRP 68 Cb 0.57 0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 29.29 1whb h TRP 68 CO 0.01 -0.09 -0.47 0.82 -1.03 0.00 0.00 178.44 177.68 1whb h ILE 69 N -0.37 1.33 -0.09 2.65 2.04 -1.60 -2.88 117.51 118.60 1whb h ILE 69 Ca -0.03 -1.67 0.02 0.00 1.00 0.00 0.00 64.86 64.18 1whb h ILE 69 Cb 0.28 1.76 -0.00 0.00 -0.74 0.00 0.00 36.82 38.11 1whb h ILE 69 CO 0.05 0.50 0.07 -0.08 0.00 0.00 0.00 178.15 178.68 1whb h GLU 70 N 0.25 0.04 -0.03 2.37 4.81 -1.05 -1.36 114.58 119.62 1whb h GLU 70 Ca 0.01 -0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.06 1whb h GLU 70 Cb 0.93 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 1whb h GLU 70 CO 0.08 0.03 -0.79 0.00 -0.73 0.00 0.00 179.01 177.59 1whb h ALA 71 N 1.95 0.60 -3.11 2.92 0.00 -1.21 -3.38 119.26 117.02 1whb h ALA 71 Ca 0.04 -0.66 -0.70 0.00 0.00 0.00 0.00 54.91 53.59 1whb h ALA 71 Cb 0.12 -0.07 -0.35 0.00 0.00 0.00 0.00 17.79 17.49 1whb h ALA 71 CO -0.00 0.83 -0.30 -1.01 0.00 0.00 0.00 179.25 178.77 1whb s HIS 72 N -3.42 3.48 0.04 0.00 3.76 -0.51 -5.04 115.29 113.61 1whb s HIS 72 Ca -0.04 -2.73 -0.22 0.00 -0.15 0.00 0.00 55.06 51.92 1whb s HIS 72 Cb 0.10 -3.24 0.05 0.00 1.11 0.00 0.00 32.58 30.61 1whb s HIS 72 CO 0.83 -0.83 0.51 -0.51 -0.85 0.00 0.00 174.74 173.89 1whb s LEU 73 N -0.26 -0.04 0.00 0.89 1.43 -1.25 -4.72 118.68 114.72 1whb s LEU 73 Ca 0.19 0.19 -0.01 0.00 -1.03 0.00 0.00 54.13 53.47 1whb s LEU 73 Cb -0.18 2.09 0.02 0.00 0.03 0.00 0.00 46.19 48.16 1whb s LEU 73 CO -0.05 -0.70 0.05 -2.65 0.23 0.00 0.00 176.35 173.23 1whb n PRO 74 N 0.48 -1.04 0.00 1.29 -0.02 -1.26 -4.77 135.00 129.67 1whb n PRO 74 Ca -0.18 -0.09 -0.18 0.00 -2.02 0.00 0.00 63.50 61.03 1whb n PRO 74 Cb 0.60 -0.14 -0.14 0.00 -0.02 0.00 0.00 33.50 33.80 1whb n PRO 74 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1whb h ASP 75 N -1.84 0.30 0.34 2.55 3.58 -2.02 -3.25 116.42 116.08 1whb h ASP 75 Ca -0.02 -0.67 -0.32 0.00 0.42 0.00 0.00 57.03 56.43 1whb h ASP 75 Cb 0.08 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.00 1whb h ASP 75 CO 0.01 1.60 -1.82 0.44 -2.88 0.00 0.00 179.24 176.60 1whb h ASP 76 N 0.05 0.19 0.36 2.28 3.32 -2.02 -3.36 116.42 117.24 1whb h ASP 76 Ca -0.38 -0.42 -0.09 0.00 0.02 0.00 0.00 57.03 56.16 1whb h ASP 76 Cb 2.03 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 41.51 1whb h ASP 76 CO 0.09 1.37 -0.41 0.28 -1.72 0.00 0.00 179.24 178.86 1whb h SER 77 N 0.03 0.07 -0.03 6.45 0.02 -1.93 -2.75 113.55 115.41 1whb h SER 77 Ca -0.34 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.58 1whb h SER 77 Cb 2.02 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 64.54 1whb h SER 77 CO 0.09 0.47 0.01 0.50 -1.14 0.00 0.00 176.83 176.76 1whb h LYS 78 N 0.06 0.09 0.39 3.45 3.64 -1.70 -1.27 116.57 121.22 1whb h LYS 78 Ca 0.00 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1whb h LYS 78 Cb 0.75 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 1whb h LYS 78 CO 0.06 0.09 -0.19 -0.44 -2.27 0.00 0.00 179.45 176.70 1whb h ASP 79 N 0.09 -0.44 -0.15 4.20 5.19 -1.66 -3.08 116.42 120.57 1whb h ASP 79 Ca 0.02 0.02 0.04 0.00 -0.62 0.00 0.00 57.03 56.49 1whb h ASP 79 Cb 0.05 0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.67 1whb h ASP 79 CO -0.00 -0.27 0.13 0.74 -3.12 0.00 0.00 179.24 176.71 1whb h THR 80 N -0.60 0.72 -0.46 0.35 2.02 -1.64 -1.08 112.91 112.22 1whb h THR 80 Ca -0.05 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.21 1whb h THR 80 Cb 0.40 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 1whb h THR 80 CO 0.09 0.00 0.31 -0.25 0.37 0.00 0.00 175.52 176.04 1whb h TRP 81 N 0.00 0.28 0.00 3.16 2.91 -1.15 -0.12 115.95 121.04 1whb h TRP 81 Ca 0.07 0.01 -0.04 0.00 1.13 0.00 0.00 58.89 60.06 1whb h TRP 81 Cb 0.32 -0.09 -0.01 0.00 -0.51 0.00 0.00 29.16 28.87 1whb h TRP 81 CO 0.00 0.14 -0.79 0.87 -1.03 0.00 0.00 178.44 177.63 1whb h LYS 82 N 0.27 0.00 -0.34 2.65 6.56 -1.14 -3.29 116.57 121.29 1whb h LYS 82 Ca 0.21 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.80 1whb h LYS 82 Cb 0.48 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.14 1whb h LYS 82 CO -0.04 0.09 0.00 1.63 -2.06 0.00 0.00 179.45 179.07 1whb n LYS 83 N -2.86 1.77 0.14 3.15 5.02 -0.10 -3.99 118.16 121.30 1whb n LYS 83 Ca -0.00 -1.20 -0.01 0.00 -2.02 0.00 0.00 58.31 55.08 1whb n LYS 83 Cb 0.61 -1.26 0.19 0.00 -0.02 0.00 0.00 35.03 34.55 1whb n LYS 83 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 1whb h ARG 84 N 1.94 0.00 0.00 1.97 0.11 -1.51 -2.94 114.38 113.96 1whb h ARG 84 Ca 0.00 -0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.05 1whb h ARG 84 Cb 0.45 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.52 1whb h ARG 84 CO 0.00 0.59 -0.15 0.78 0.10 0.00 0.00 179.97 181.29 1whb h GLY 85 N 1.75 0.00 0.95 0.08 0.00 -1.83 -3.25 103.07 100.77 1whb h GLY 85 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.08 1whb h GLY 85 CO 0.08 0.00 -1.02 -0.57 0.00 0.00 0.00 176.54 175.02 1whb h ASN 86 N 0.00 0.66 -2.83 0.19 -0.73 -1.78 -3.44 115.58 107.65 1whb h ASN 86 Ca -0.00 -0.89 -0.35 0.00 1.87 0.00 0.00 56.30 56.94 1whb h ASN 86 Cb 0.90 -0.21 0.21 0.00 0.27 0.00 0.00 38.32 39.49 1whb h ASN 86 CO 0.02 1.49 -0.17 1.33 -0.37 0.00 0.00 177.43 179.73 1whb n VAL 87 N -3.98 0.00 0.00 2.57 0.24 -1.15 -5.03 118.33 110.98 1whb n VAL 87 Ca -0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 1whb n VAL 87 Cb 0.90 -0.94 0.00 0.00 -1.47 0.00 0.00 33.84 32.33 1whb n VAL 87 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1whb n GLU 88 N -5.36 0.00 -3.07 7.34 2.13 -1.26 -4.49 120.64 115.94 1whb n GLU 88 Ca 0.13 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.75 1whb n GLU 88 Cb 0.57 -0.30 0.01 0.00 0.27 0.00 0.00 31.44 31.99 1whb n GLU 88 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 1whb s TYR 89 N -0.83 3.01 -0.00 4.31 2.02 -1.20 -3.52 117.35 121.14 1whb s TYR 89 Ca 0.00 -0.12 -0.17 0.00 -0.37 0.00 0.00 57.07 56.41 1whb s TYR 89 Cb 0.00 -2.33 0.03 0.00 -0.40 0.00 0.00 41.96 39.26 1whb s TYR 89 CO 0.00 -0.38 0.37 0.08 -1.57 0.00 0.00 175.55 174.05 1whb s VAL 90 N -2.43 0.05 0.01 0.71 1.01 -1.26 -3.46 120.40 115.04 1whb s VAL 90 Ca 0.51 -0.44 -0.00 0.00 0.00 0.00 0.00 61.98 62.05 1whb s VAL 90 Cb -0.10 -0.74 -0.01 0.00 0.00 0.00 0.00 36.38 35.53 1whb s VAL 90 CO 0.35 -0.24 -0.02 -0.69 0.00 0.00 0.00 175.10 174.50 1whb s VAL 91 N -1.60 0.07 0.45 2.92 1.01 -0.35 -2.45 120.40 120.46 1whb s VAL 91 Ca -0.11 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 61.33 1whb s VAL 91 Cb -0.03 -0.18 -0.03 0.00 0.00 0.00 0.00 36.38 36.14 1whb s VAL 91 CO 0.03 -0.33 0.20 -0.76 0.00 0.00 0.00 175.10 174.24 1whb s LEU 92 N -0.96 2.93 0.39 3.92 1.43 0.39 -2.16 118.68 124.63 1whb s LEU 92 Ca -0.11 -1.19 0.04 0.00 -1.03 0.00 0.00 54.13 51.84 1whb s LEU 92 Cb -0.07 -1.29 -0.03 0.00 0.03 0.00 0.00 46.19 44.84 1whb s LEU 92 CO -0.01 -0.69 0.14 -0.76 0.23 0.00 0.00 176.35 175.27 1whb s LEU 93 N -3.97 1.96 0.10 1.79 1.43 0.86 -1.31 118.68 119.54 1whb s LEU 93 Ca 0.35 -1.66 -0.25 0.00 -1.03 0.00 0.00 54.13 51.54 1whb s LEU 93 Cb 0.03 -0.04 0.08 0.00 0.03 0.00 0.00 46.19 46.29 1whb s LEU 93 CO 0.20 -0.92 1.15 1.51 0.23 0.00 0.00 176.35 178.51 1whb s ASP 94 N -3.56 0.01 -0.25 2.29 1.47 -1.26 -3.75 116.67 111.61 1whb s ASP 94 Ca 0.27 -0.47 -0.15 0.00 1.18 0.00 0.00 52.55 53.37 1whb s ASP 94 Cb 0.03 0.34 -0.10 0.00 -0.34 0.00 0.00 42.92 42.85 1whb s ASP 94 CO 0.16 -0.69 -0.34 0.79 0.68 0.00 0.00 175.17 175.78 1whb n TRP 95 N -0.79 0.05 -2.85 2.11 5.03 -1.26 0.10 117.44 119.82 1whb n TRP 95 Ca 0.00 0.02 -0.11 0.00 3.03 0.00 0.00 57.50 60.44 1whb n TRP 95 Cb 0.59 -0.85 0.05 0.00 -1.03 0.00 0.00 31.31 30.07 1whb n TRP 95 CO 0.00 0.00 0.00 1.19 -0.03 0.00 0.00 177.69 178.85 1whb n PHE 96 N -4.33 -1.24 -3.23 -5.99 3.72 -1.26 -4.31 117.46 100.82 1whb n PHE 96 Ca -0.41 -2.71 -0.02 0.00 -0.05 0.00 0.00 57.45 54.26 1whb n PHE 96 Cb 0.76 0.69 -0.03 0.00 -0.94 0.00 0.00 39.48 39.96 1whb n PHE 96 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1whb s SER 97 N -1.90 -0.67 0.87 4.37 0.15 -1.26 -5.07 113.70 110.18 1whb s SER 97 Ca 0.28 0.04 -0.09 0.00 0.70 0.00 0.00 55.95 56.88 1whb s SER 97 Cb 0.36 1.62 0.18 0.00 -1.71 0.00 0.00 66.02 66.46 1whb s SER 97 CO -0.05 -0.32 1.19 -0.44 1.20 0.00 0.00 173.24 174.82 1whb s SER 98 N 2.70 3.57 0.59 5.45 0.01 -1.26 -4.82 113.70 119.95 1whb s SER 98 Ca 0.11 -0.08 0.30 0.00 1.31 0.00 0.00 55.95 57.59 1whb s SER 98 Cb -0.12 -0.07 1.80 0.00 0.21 0.00 0.00 66.02 67.85 1whb s SER 98 CO -0.26 -2.41 2.21 0.00 0.41 0.00 0.00 173.24 173.19 1whb h ALA 99 N -1.18 1.58 0.00 1.44 0.00 -1.86 0.00 119.26 119.24 1whb h ALA 99 Ca -0.40 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.39 1whb h ALA 99 Cb 1.24 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1whb h ALA 99 CO 0.37 -0.09 -0.82 0.87 0.00 0.00 0.00 179.25 179.58 1whb h LYS 100 N 0.00 0.00 -0.70 0.00 1.57 -1.94 -3.26 116.57 112.24 1whb h LYS 100 Ca 0.02 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1whb h LYS 100 Cb 0.15 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 1whb h LYS 100 CO -0.00 0.40 0.01 -0.25 -0.57 0.00 0.00 179.45 179.03 1whb n ASP 101 N -3.08 4.50 -4.51 0.86 9.92 -0.03 -4.85 116.55 119.36 1whb n ASP 101 Ca -0.02 -2.70 -0.42 0.00 -0.53 0.00 0.00 54.79 51.13 1whb n ASP 101 Cb 0.76 -0.64 -0.03 0.00 -0.64 0.00 0.00 41.12 40.56 1whb n ASP 101 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1whb s LEU 102 N -2.04 3.82 0.68 0.64 1.43 -1.09 -4.72 118.68 117.40 1whb s LEU 102 Ca 0.40 -0.95 0.01 0.00 -1.03 0.00 0.00 54.13 52.57 1whb s LEU 102 Cb 0.31 -2.50 0.11 0.00 0.03 0.00 0.00 46.19 44.14 1whb s LEU 102 CO 0.12 -1.58 0.94 -1.10 0.23 0.00 0.00 176.35 174.96 1whb s GLN 103 N 4.74 1.85 -0.31 1.70 -0.21 -1.26 -5.02 119.66 121.15 1whb s GLN 103 Ca 0.32 -1.16 -0.29 0.00 0.02 0.00 0.00 55.36 54.25 1whb s GLN 103 Cb -0.10 -2.39 -0.01 0.00 1.00 0.00 0.00 33.01 31.51 1whb s GLN 103 CO 0.07 -1.29 1.47 0.42 -2.12 0.00 0.00 175.29 173.85 1whb s ILE 104 N -3.03 3.88 0.00 1.08 1.09 -1.26 -3.18 121.20 119.77 1whb s ILE 104 Ca 0.65 0.95 0.00 0.00 -1.10 0.00 0.00 60.65 61.15 1whb s ILE 104 Cb -0.06 -3.99 0.00 0.00 -1.06 0.00 0.00 42.46 37.35 1whb s ILE 104 CO 0.43 -0.50 0.00 0.61 -0.10 0.00 0.00 174.94 175.38 1whb n GLY 105 N 4.75 1.90 3.96 6.18 0.00 -1.26 -5.13 105.19 115.58 1whb n GLY 105 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 1whb n GLY 105 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1whb s THR 106 N -2.00 4.93 0.08 2.61 -4.23 -1.19 -4.93 115.64 110.91 1whb s THR 106 Ca 0.00 -1.04 -0.14 0.00 -1.18 0.00 0.00 61.69 59.33 1whb s THR 106 Cb 0.00 -3.72 -0.19 0.00 1.34 0.00 0.00 72.50 69.93 1whb s THR 106 CO 0.00 -0.30 1.24 0.74 -0.54 0.00 0.00 174.62 175.76 1whb h THR 107 N 1.15 1.29 0.03 3.99 2.02 -1.92 -2.43 112.91 117.04 1whb h THR 107 Ca -0.50 -2.08 -0.00 0.00 0.77 0.00 0.00 66.41 64.59 1whb h THR 107 Cb 1.24 2.19 0.00 0.00 -1.74 0.00 0.00 68.15 69.84 1whb h THR 107 CO 0.59 0.65 -0.01 -0.07 0.37 0.00 0.00 175.52 177.05 1whb h LEU 108 N 0.43 -0.03 0.24 2.58 3.38 -1.93 0.08 115.31 120.05 1whb h LEU 108 Ca -0.09 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 1whb h LEU 108 Cb 1.51 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.27 1whb h LEU 108 CO 0.17 0.12 -0.11 -0.09 0.09 0.00 0.00 178.44 178.62 1whb h ARG 109 N -0.18 -0.31 -0.72 1.13 2.43 -1.91 0.65 114.38 115.48 1whb h ARG 109 Ca -0.00 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.25 1whb h ARG 109 Cb 0.17 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.74 1whb h ARG 109 CO 0.01 -0.19 0.47 0.66 -1.51 0.00 0.00 179.97 179.41 1whb h SER 110 N -0.34 0.65 0.69 -3.80 4.64 -1.42 -0.98 113.55 112.99 1whb h SER 110 Ca -0.03 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.07 1whb h SER 110 Cb 0.26 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 1whb h SER 110 CO 0.05 0.42 -0.99 0.25 -0.87 0.00 0.00 176.83 175.69 1whb h LEU 111 N 0.74 0.24 -1.25 5.97 5.85 -0.56 -1.98 115.31 124.31 1whb h LEU 111 Ca 0.31 -0.22 -0.08 0.00 0.84 0.00 0.00 57.88 58.73 1whb h LEU 111 Cb 0.27 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1whb h LEU 111 CO -0.10 1.09 -0.37 0.50 -0.34 0.00 0.00 178.44 179.22 1whb h LYS 112 N 0.07 0.01 0.00 1.25 3.11 0.15 -2.74 116.57 118.42 1whb h LYS 112 Ca -0.06 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.78 1whb h LYS 112 Cb 1.68 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.90 1whb h LYS 112 CO 0.15 0.38 -1.05 -0.25 -2.81 0.00 0.00 179.45 175.87 1whb n ASP 113 N -4.10 0.61 -1.23 4.20 9.92 -0.49 -3.62 116.55 121.84 1whb n ASP 113 Ca -0.02 -0.15 0.03 0.00 -0.53 0.00 0.00 54.79 54.12 1whb n ASP 113 Cb 0.41 0.79 0.21 0.00 -0.64 0.00 0.00 41.12 41.89 1whb n ASP 113 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1whb n ALA 114 N -1.87 3.23 0.00 2.24 0.00 -0.75 -0.66 120.51 122.71 1whb n ALA 114 Ca 0.02 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.46 1whb n ALA 114 Cb 0.45 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.83 1whb n ALA 114 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1whb n LEU 115 N 0.32 0.18 -0.08 0.00 4.77 -1.22 -3.75 117.00 117.21 1whb n LEU 115 Ca 0.15 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.96 1whb n LEU 115 Cb 0.75 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.78 1whb n LEU 115 CO 0.17 -0.17 -0.96 0.33 -1.33 0.00 0.00 177.39 175.42 1whb n PHE 116 N -2.05 0.00 -0.35 -1.77 7.35 -1.24 -4.18 117.46 115.22 1whb n PHE 116 Ca 0.00 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 56.74 1whb n PHE 116 Cb 0.06 -0.56 0.23 0.00 0.35 0.00 0.00 39.48 39.55 1whb n PHE 116 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1whb h LYS 117 N -0.62 1.02 0.00 -4.13 3.11 -1.69 -3.43 116.57 110.82 1whb h LYS 117 Ca -0.35 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.42 1whb h LYS 117 Cb 1.23 -0.23 0.00 0.00 -1.00 0.00 0.00 32.23 32.23 1whb h LYS 117 CO -0.21 0.67 0.00 0.91 -2.81 0.00 0.00 179.45 178.01 1whb n TRP 118 N -4.56 -1.93 -1.28 1.91 5.03 0.17 -5.02 117.44 111.75 1whb n TRP 118 Ca 0.17 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.70 1whb n TRP 118 Cb 0.28 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.56 1whb n TRP 118 CO 0.00 0.00 0.00 0.39 -0.03 0.00 0.00 177.69 178.05 1whb n GLU 119 N -0.64 -3.67 -0.02 -0.99 -0.58 -1.26 -4.66 120.64 108.81 1whb n GLU 119 Ca 0.00 2.74 -0.04 0.00 -0.42 0.00 0.00 57.16 59.44 1whb n GLU 119 Cb 0.00 -3.09 -0.01 0.00 -0.57 0.00 0.00 31.44 27.77 1whb n GLU 119 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1whb n SER 120 N -0.94 0.26 0.33 1.62 2.88 -1.26 -4.85 113.62 111.66 1whb n SER 120 Ca 0.00 0.04 -0.14 0.00 -1.33 0.00 0.00 58.87 57.45 1whb n SER 120 Cb 0.01 -0.11 -0.06 0.00 -0.75 0.00 0.00 64.21 63.30 1whb n SER 120 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1whb h LYS 121 N -0.12 -0.85 -4.91 -1.46 1.79 -2.02 -3.41 116.57 105.60 1whb h LYS 121 Ca -0.09 0.06 -0.69 0.00 -2.18 0.00 0.00 60.65 57.75 1whb h LYS 121 Cb 1.06 0.19 -0.18 0.00 -1.58 0.00 0.00 32.23 31.72 1whb h LYS 121 CO -0.05 -0.57 -0.17 0.99 -1.08 0.00 0.00 179.45 178.57 1whb s THR 122 N -4.42 5.06 0.09 -0.16 2.01 -1.26 -5.05 115.64 111.92 1whb s THR 122 Ca -0.13 -0.32 0.01 0.00 0.31 0.00 0.00 61.69 61.56 1whb s THR 122 Cb 0.01 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 1whb s THR 122 CO 0.39 -0.45 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.11 1whb s VAL 123 N 2.20 0.61 0.55 3.82 1.01 -1.26 -4.78 120.40 122.55 1whb s VAL 123 Ca 0.13 -1.85 -0.04 0.00 0.00 0.00 0.00 61.98 60.22 1whb s VAL 123 Cb -0.17 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 34.64 1whb s VAL 123 CO 0.14 -0.86 0.82 -0.76 0.00 0.00 0.00 175.10 174.45 1whb s LEU 124 N -2.92 3.36 -0.01 3.92 1.43 -1.26 -4.64 118.68 118.55 1whb s LEU 124 Ca 0.10 0.53 -0.23 0.00 -1.03 0.00 0.00 54.13 53.50 1whb s LEU 124 Cb 0.05 -3.37 -0.20 0.00 0.03 0.00 0.00 46.19 42.69 1whb s LEU 124 CO -0.05 -0.96 1.16 0.03 0.23 0.00 0.00 176.35 176.75 1whb h ARG 125 N 0.01 0.25 0.00 1.70 2.47 -1.78 -3.47 114.38 113.56 1whb h ARG 125 Ca -0.45 -0.20 -0.44 0.00 -1.26 0.00 0.00 59.98 57.62 1whb h ARG 125 Cb 1.26 0.04 -0.08 0.00 -1.65 0.00 0.00 29.97 29.54 1whb h ARG 125 CO 0.59 0.85 -0.32 0.09 0.56 0.00 0.00 179.97 181.74 1whb n ASN 126 N -4.51 2.82 -4.66 7.04 3.02 -1.23 -5.09 115.26 112.64 1whb n ASN 126 Ca -0.09 -2.49 -0.40 0.00 -0.03 0.00 0.00 54.58 51.57 1whb n ASN 126 Cb 0.46 0.27 -0.05 0.00 -0.61 0.00 0.00 39.78 39.85 1whb n ASN 126 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1whb s GLU 127 N -3.21 4.24 0.05 3.52 2.02 -1.26 -4.92 118.70 119.13 1whb s GLU 127 Ca 0.01 0.72 -0.33 0.00 0.02 0.00 0.00 54.97 55.39 1whb s GLU 127 Cb 0.00 -3.57 -0.12 0.00 0.10 0.00 0.00 34.13 30.54 1whb s GLU 127 CO 0.01 -0.26 1.80 -0.35 0.02 0.00 0.00 175.26 176.48 1whb n PRO 128 N 5.07 2.43 -3.20 0.39 -0.04 -1.26 -4.82 135.00 133.56 1whb n PRO 128 Ca 0.00 0.88 -0.19 0.00 -0.04 0.00 0.00 63.50 64.16 1whb n PRO 128 Cb 0.49 -2.74 0.00 0.00 -0.04 0.00 0.00 33.50 31.22 1whb n PRO 128 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1whb s LEU 129 N 2.92 3.49 0.01 1.53 1.43 -1.03 -4.95 118.68 122.07 1whb s LEU 129 Ca 0.86 -0.59 0.07 0.00 -1.03 0.00 0.00 54.13 53.44 1whb s LEU 129 Cb -0.60 -2.32 -0.03 0.00 0.03 0.00 0.00 46.19 43.27 1whb s LEU 129 CO 0.43 -0.81 -0.22 0.54 0.23 0.00 0.00 176.35 176.53 1whb s VAL 130 N -2.44 2.47 0.61 -1.59 0.11 -1.26 -0.46 120.40 117.84 1whb s VAL 130 Ca 0.53 -1.13 -0.19 0.00 -2.93 0.00 0.00 61.98 58.26 1whb s VAL 130 Cb -0.07 -1.96 -0.03 0.00 -1.53 0.00 0.00 36.38 32.79 1whb s VAL 130 CO 0.32 0.46 1.25 -0.22 -3.33 0.00 0.00 175.10 173.58 1whb s LEU 131 N -1.02 3.64 -0.65 2.54 2.96 -0.43 -2.27 118.68 123.45 1whb s LEU 131 Ca 0.12 2.51 -0.27 0.00 -0.22 0.00 0.00 54.13 56.27 1whb s LEU 131 Cb -0.10 -4.58 -0.01 0.00 0.50 0.00 0.00 46.19 42.00 1whb s LEU 131 CO 0.02 -1.76 1.69 -0.70 -1.32 0.00 0.00 176.35 174.28 1whb s GLU 132 N -3.32 2.79 0.00 1.98 -6.30 -0.93 -3.40 118.70 109.53 1whb s GLU 132 Ca 0.79 0.35 0.00 0.00 -2.50 0.00 0.00 54.97 53.62 1whb s GLU 132 Cb -0.34 -4.33 0.00 0.00 0.00 0.00 0.00 34.13 29.46 1whb s GLU 132 CO 0.37 -2.56 0.00 0.41 0.02 0.00 0.00 175.26 173.50 1whb n GLY 133 N 5.60 3.09 0.00 -1.50 0.00 -1.26 -4.75 105.19 106.38 1whb n GLY 133 Ca 0.15 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1whb n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1whb n GLY 134 N 0.00 -1.29 0.32 -0.02 0.00 -1.22 -4.24 105.19 98.74 1whb n GLY 134 Ca 0.00 -2.09 0.02 0.00 0.00 0.00 0.00 46.02 43.95 1whb n GLY 134 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1whb h TYR 135 N 0.00 0.69 -0.15 1.61 3.20 0.38 -0.14 116.97 122.55 1whb h TYR 135 Ca 0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1whb h TYR 135 Cb 0.00 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.03 1whb h TYR 135 CO 0.00 0.47 0.05 1.49 -1.64 0.00 0.00 178.16 178.52 1whb h GLU 136 N 0.72 0.21 0.02 1.82 4.57 -1.75 -2.28 114.58 117.89 1whb h GLU 136 Ca 0.19 -0.02 -0.28 0.00 -1.18 0.00 0.00 59.36 58.07 1whb h GLU 136 Cb -0.01 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.49 1whb h GLU 136 CO -0.03 0.19 -1.60 -0.97 -1.18 0.00 0.00 179.01 175.41 1whb h ASN 137 N 0.21 0.05 -0.80 1.04 -1.24 -1.50 -3.34 115.58 110.00 1whb h ASN 137 Ca 0.05 -0.10 0.01 0.00 0.71 0.00 0.00 56.30 56.97 1whb h ASN 137 Cb 0.07 -0.02 -0.04 0.00 0.73 0.00 0.00 38.32 39.06 1whb h ASN 137 CO -0.00 1.09 0.53 -0.25 -1.29 0.00 0.00 177.43 177.50 1whb h TRP 138 N 0.01 1.01 -0.08 0.67 2.91 -0.52 -1.56 115.95 118.38 1whb h TRP 138 Ca -0.25 0.02 -0.10 0.00 1.13 0.00 0.00 58.89 59.70 1whb h TRP 138 Cb 1.98 -0.34 -0.01 0.00 -0.51 0.00 0.00 29.16 30.27 1whb h TRP 138 CO 0.01 0.64 -0.38 -0.07 -1.03 0.00 0.00 178.44 177.61 1whb h LEU 139 N 1.09 0.18 -1.00 0.65 3.38 -1.58 0.81 115.31 118.84 1whb h LEU 139 Ca 0.29 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 58.09 1whb h LEU 139 Cb -0.12 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1whb h LEU 139 CO -0.06 0.55 -0.45 -0.07 0.09 0.00 0.00 178.44 178.50 1whb h LEU 140 N 0.15 0.12 0.00 1.67 3.38 -1.42 -2.50 115.31 116.71 1whb h LEU 140 Ca 0.02 -0.05 -0.20 0.00 0.09 0.00 0.00 57.88 57.74 1whb h LEU 140 Cb 0.75 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 1whb h LEU 140 CO 0.06 0.55 -1.42 0.00 0.09 0.00 0.00 178.44 177.72 1whb n TYR 142 N -4.43 3.27 0.22 0.00 4.01 0.28 -4.90 117.16 115.61 1whb n TYR 142 Ca -0.29 -4.22 0.09 0.00 -0.16 0.00 0.00 57.90 53.32 1whb n TYR 142 Cb 0.61 -0.58 0.46 0.00 -0.31 0.00 0.00 39.34 39.53 1whb n TYR 142 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1whb h PRO 143 N 4.90 0.00 0.04 -0.72 0.13 -1.55 -3.02 132.00 131.78 1whb h PRO 143 Ca 0.17 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 65.08 1whb h PRO 143 Cb 0.72 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.84 1whb h PRO 143 CO 0.75 0.25 -1.02 -0.56 -0.23 0.00 0.00 178.00 177.19 1whb h GLN 144 N 0.00 0.17 -3.12 0.86 -0.00 -1.90 -3.36 115.11 107.76 1whb h GLN 144 Ca -0.00 -0.24 -0.68 0.00 -0.00 0.00 0.00 58.65 57.73 1whb h GLN 144 Cb 0.73 0.08 0.02 0.00 -0.00 0.00 0.00 27.48 28.31 1whb h GLN 144 CO 0.03 1.05 3.77 0.98 -0.00 0.00 0.00 178.83 184.66 1whb n TYR 145 N -3.54 2.56 -3.64 0.06 9.36 -1.14 -4.77 117.16 116.05 1whb n TYR 145 Ca -0.04 -3.08 -0.07 0.00 3.32 0.00 0.00 57.90 58.02 1whb n TYR 145 Cb 0.91 -2.50 -0.07 0.00 -0.63 0.00 0.00 39.34 37.05 1whb n TYR 145 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 1whb s THR 146 N 2.28 0.00 0.44 2.97 -4.23 -1.26 -4.39 115.64 111.45 1whb s THR 146 Ca 0.67 0.00 0.12 0.00 -1.18 0.00 0.00 61.69 61.30 1whb s THR 146 Cb 0.18 -1.00 0.21 0.00 1.34 0.00 0.00 72.50 73.22 1whb s THR 146 CO -0.06 0.00 2.01 0.71 -0.54 0.00 0.00 174.62 176.74 1whb h THR 147 N 4.00 1.11 -3.20 3.99 1.35 -1.84 -3.40 112.91 114.93 1whb h THR 147 Ca -0.28 -0.47 -0.57 0.00 -0.55 0.00 0.00 66.41 64.54 1whb h THR 147 Cb 1.18 1.11 -0.36 0.00 -1.73 0.00 0.00 68.15 68.36 1whb h THR 147 CO 0.13 0.15 -0.82 0.21 -0.25 0.00 0.00 175.52 174.94 1whb s ASN 148 N -6.94 2.39 -0.11 5.36 2.47 -1.26 -4.99 114.94 111.86 1whb s ASN 148 Ca -0.05 -0.40 0.09 0.00 0.42 0.00 0.00 52.86 52.91 1whb s ASN 148 Cb 0.16 -1.02 -0.13 0.00 -1.45 0.00 0.00 41.25 38.81 1whb s ASN 148 CO 0.71 -0.05 0.02 0.00 -3.72 0.00 0.00 177.10 174.05 1whb n ALA 149 N 4.60 1.73 -2.32 1.71 0.00 -1.26 -4.71 120.51 120.25 1whb n ALA 149 Ca -0.17 -0.70 -0.35 0.00 0.00 0.00 0.00 53.44 52.22 1whb n ALA 149 Cb 0.50 0.04 -0.04 0.00 0.00 0.00 0.00 19.45 19.96 1whb n ALA 149 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1whb s LYS 150 N -2.27 3.16 0.40 0.00 1.02 -1.26 -4.92 119.74 115.87 1whb s LYS 150 Ca -0.07 -1.09 0.05 0.00 0.02 0.00 0.00 55.97 54.87 1whb s LYS 150 Cb 0.03 -5.29 -0.06 0.00 -0.52 0.00 0.00 37.83 31.99 1whb s LYS 150 CO 0.43 -2.92 0.03 0.14 -0.92 0.00 0.00 175.35 172.12 1whb s VAL 151 N 7.49 1.50 0.00 3.17 -7.23 -1.26 -5.07 120.40 119.00 1whb s VAL 151 Ca 0.59 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.76 1whb s VAL 151 Cb -0.01 -2.76 0.00 0.00 0.56 0.00 0.00 36.38 34.17 1whb s VAL 151 CO 0.01 0.00 0.00 -1.54 -0.31 0.00 0.00 175.10 173.26 1whb n SER 152 N -0.95 0.68 0.00 4.85 3.41 -1.26 -5.11 113.62 115.24 1whb n SER 152 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 1whb n SER 152 Cb 0.67 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 1whb n SER 152 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1whb n GLY 153 N 2.98 1.76 3.61 5.00 0.00 -1.26 -5.05 105.19 112.23 1whb n GLY 153 Ca 0.00 -0.73 -0.30 0.00 0.00 0.00 0.00 46.02 44.99 1whb n GLY 153 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1whb s PRO 154 N 0.00 -0.89 -0.28 1.61 0.04 -1.26 -4.73 135.00 129.49 1whb s PRO 154 Ca 0.00 0.04 -0.03 0.00 0.04 0.00 0.00 61.00 61.05 1whb s PRO 154 Cb 0.00 -1.63 0.01 0.00 0.04 0.00 0.00 34.50 32.92 1whb s PRO 154 CO 0.00 -3.51 0.05 0.45 0.04 0.00 0.00 177.00 174.03 1whb n SER 155 N -4.64 -6.39 -0.07 6.66 2.88 -1.26 -5.03 113.62 105.78 1whb n SER 155 Ca 0.11 1.41 -0.07 0.00 -1.33 0.00 0.00 58.87 59.00 1whb n SER 155 Cb 0.59 -5.30 -0.02 0.00 -0.75 0.00 0.00 64.21 58.73 1whb n SER 155 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1whb n SER 156 N 0.90 1.45 0.00 -3.46 2.88 -1.26 -5.09 113.62 109.04 1whb n SER 156 Ca -0.09 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 1whb n SER 156 Cb 0.14 -0.68 0.00 0.00 -0.75 0.00 0.00 64.21 62.91 1whb n SER 156 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42