#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 7.09 0.39 1.61 1.04 -1.26 -5.08 113.70 117.49 1whb s SER 2 Ca 0.00 1.29 0.08 0.00 0.48 0.00 0.00 55.95 57.80 1whb s SER 2 Cb 0.00 -2.38 -0.08 0.00 0.10 0.00 0.00 66.02 63.67 1whb s SER 2 CO 0.00 0.24 -0.02 -0.94 0.98 0.00 0.00 173.24 173.50 1whb s SER 3 N -0.95 3.83 0.22 7.02 1.04 -1.26 -5.16 113.70 118.44 1whb s SER 3 Ca 0.30 -1.32 -0.15 0.00 0.48 0.00 0.00 55.95 55.26 1whb s SER 3 Cb -0.20 -0.38 0.01 0.00 0.10 0.00 0.00 66.02 65.55 1whb s SER 3 CO 0.20 -0.38 0.49 -0.83 0.98 0.00 0.00 173.24 173.69 1whb s GLY 4 N -3.68 0.23 -0.00 7.32 0.00 -1.26 -5.11 107.32 104.82 1whb s GLY 4 Ca 0.34 -0.57 -0.01 0.00 0.00 0.00 0.00 44.72 44.48 1whb s GLY 4 CO 0.18 -0.47 -0.01 -1.26 0.00 0.00 0.00 173.10 171.53 1whb n SER 5 N -0.35 0.14 -1.27 1.64 2.88 -1.26 -5.12 113.62 110.27 1whb n SER 5 Ca -0.06 0.02 0.12 0.00 -1.33 0.00 0.00 58.87 57.62 1whb n SER 5 Cb 0.62 -0.24 -0.03 0.00 -0.75 0.00 0.00 64.21 63.81 1whb n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1whb n SER 6 N -2.63 -7.58 -3.21 -3.46 7.64 -1.26 -4.88 113.62 98.23 1whb n SER 6 Ca -0.01 0.96 0.00 0.00 1.01 0.00 0.00 58.87 60.83 1whb n SER 6 Cb 0.02 -2.69 -0.01 0.00 -1.01 0.00 0.00 64.21 60.52 1whb n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1whb s GLY 7 N -6.69 -1.20 -0.19 0.23 0.00 -1.26 -5.13 107.32 93.08 1whb s GLY 7 Ca 0.00 0.21 0.01 0.00 0.00 0.00 0.00 44.72 44.94 1whb s GLY 7 CO 0.00 3.62 -0.13 0.54 0.00 0.00 0.00 173.10 177.13 1whb s LYS 8 N 1.90 2.28 0.02 2.90 3.01 -1.26 -5.11 119.74 123.47 1whb s LYS 8 Ca 0.16 -0.83 -0.09 0.00 -1.01 0.00 0.00 55.97 54.20 1whb s LYS 8 Cb -0.05 -2.42 0.00 0.00 -1.01 0.00 0.00 37.83 34.35 1whb s LYS 8 CO -0.08 -0.36 0.18 0.00 0.51 0.00 0.00 175.35 175.60 1whb n GLU 10 N 1.06 -2.75 -2.58 0.00 0.00 -1.26 -4.99 120.64 110.12 1whb n GLU 10 Ca -0.21 2.34 -0.08 0.00 0.00 0.00 0.00 57.16 59.22 1whb n GLU 10 Cb 0.57 -5.57 0.04 0.00 0.00 0.00 0.00 31.44 26.48 1whb n GLU 10 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 1whb n THR 11 N 0.03 1.65 -2.79 6.31 -1.04 -1.26 -5.02 114.28 112.17 1whb n THR 11 Ca 0.08 -3.35 -0.06 0.00 -2.04 0.00 0.00 64.05 58.67 1whb n THR 11 Cb 0.31 0.50 0.01 0.00 -1.82 0.00 0.00 70.33 69.33 1whb n THR 11 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1whb n LYS 12 N -0.61 -2.08 -3.66 -2.82 4.01 -1.26 -4.98 118.16 106.76 1whb n LYS 12 Ca 0.19 1.93 -0.38 0.00 -0.51 0.00 0.00 58.31 59.54 1whb n LYS 12 Cb 0.85 -5.41 -0.09 0.00 -0.51 0.00 0.00 35.03 29.87 1whb n LYS 12 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 1whb s GLU 13 N -2.57 2.68 0.19 1.97 2.56 -1.26 -4.91 118.70 117.36 1whb s GLU 13 Ca 0.20 -2.45 -0.03 0.00 0.00 0.00 0.00 54.97 52.69 1whb s GLU 13 Cb -0.06 -3.83 0.11 0.00 2.00 0.00 0.00 34.13 32.35 1whb s GLU 13 CO 0.71 -1.19 1.49 0.87 -0.56 0.00 0.00 175.26 176.59 1whb h LYS 14 N 7.25 0.52 0.00 4.30 1.57 -1.93 -3.42 116.57 124.86 1whb h LYS 14 Ca -0.01 -0.34 -0.12 0.00 -1.87 0.00 0.00 60.65 58.30 1whb h LYS 14 Cb 0.97 0.05 -0.11 0.00 0.08 0.00 0.00 32.23 33.22 1whb h LYS 14 CO 0.73 0.96 0.01 0.41 -0.57 0.00 0.00 179.45 180.98 1whb n GLY 15 N 0.31 -1.02 3.20 3.86 0.00 -1.26 -5.00 105.19 105.28 1whb n GLY 15 Ca -0.03 0.60 -0.31 0.00 0.00 0.00 0.00 46.02 46.27 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 0.08 2.03 0.16 4.61 0.00 -1.26 -2.82 121.76 124.56 1whb s ALA 16 Ca 0.18 -0.90 0.11 0.00 0.00 0.00 0.00 51.96 51.35 1whb s ALA 16 Cb 0.27 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 1whb s ALA 16 CO -0.15 0.29 -0.25 -1.50 0.00 0.00 0.00 175.76 174.14 1whb s ILE 17 N 0.30 2.26 0.60 0.00 2.07 -0.69 -4.88 121.20 120.86 1whb s ILE 17 Ca -0.16 -1.88 0.02 0.00 -1.41 0.00 0.00 60.65 57.23 1whb s ILE 17 Cb -0.17 -2.03 0.07 0.00 0.13 0.00 0.00 42.46 40.46 1whb s ILE 17 CO 0.07 -0.02 0.83 0.42 -1.91 0.00 0.00 174.94 174.33 1whb s THR 18 N -1.37 2.45 0.22 4.00 -4.23 -1.26 -1.24 115.64 114.21 1whb s THR 18 Ca 0.17 -0.70 0.07 0.00 -1.18 0.00 0.00 61.69 60.04 1whb s THR 18 Cb -0.09 -2.75 -0.08 0.00 1.34 0.00 0.00 72.50 70.93 1whb s THR 18 CO 0.08 0.00 1.51 0.00 -0.54 0.00 0.00 174.62 175.67 1whb h ALA 19 N -0.07 0.78 -0.20 3.99 0.00 -1.96 -2.93 119.26 118.87 1whb h ALA 19 Ca -0.39 -0.63 -0.06 0.00 0.00 0.00 0.00 54.91 53.84 1whb h ALA 19 Cb 1.28 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1whb h ALA 19 CO 0.46 0.84 -0.10 -0.22 0.00 0.00 0.00 179.25 180.23 1whb h LYS 20 N 0.07 0.41 -0.88 0.00 3.11 -1.99 -2.41 116.57 114.88 1whb h LYS 20 Ca -0.01 -0.19 -0.01 0.00 -2.81 0.00 0.00 60.65 57.63 1whb h LYS 20 Cb 1.25 -0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 32.43 1whb h LYS 20 CO 0.10 0.72 0.51 0.93 -2.81 0.00 0.00 179.45 178.89 1whb h GLU 21 N 0.10 1.21 -0.52 1.90 5.08 -1.96 -1.42 114.58 118.97 1whb h GLU 21 Ca 0.04 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 1whb h GLU 21 Cb 0.60 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1whb h GLU 21 CO 0.03 0.86 0.17 1.25 -1.00 0.00 0.00 179.01 180.32 1whb h LEU 22 N 1.22 0.76 -1.12 1.33 5.85 -1.46 -1.94 115.31 119.95 1whb h LEU 22 Ca 0.31 -0.20 -0.07 0.00 0.84 0.00 0.00 57.88 58.76 1whb h LEU 22 Cb -0.01 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 1whb h LEU 22 CO -0.05 0.76 -0.15 0.22 -0.34 0.00 0.00 178.44 178.87 1whb h TYR 23 N 0.72 0.47 -0.07 1.25 5.03 -1.04 -0.60 116.97 122.74 1whb h TYR 23 Ca 0.17 -0.07 -0.01 0.00 2.58 0.00 0.00 58.73 61.39 1whb h TYR 23 Cb 0.27 -0.13 -0.00 0.00 1.55 0.00 0.00 36.73 38.42 1whb h TYR 23 CO 0.01 0.58 -0.00 1.15 -1.32 0.00 0.00 178.16 178.58 1whb h THR 24 N 0.41 1.26 -0.06 1.81 2.02 -0.93 -2.17 112.91 115.25 1whb h THR 24 Ca 0.07 -0.82 -0.09 0.00 0.77 0.00 0.00 66.41 66.34 1whb h THR 24 Cb 0.50 1.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 1whb h THR 24 CO 0.03 0.23 -0.40 0.24 0.37 0.00 0.00 175.52 175.99 1whb h MET 25 N -0.18 0.13 -0.07 6.66 2.86 -1.25 -2.60 114.93 120.48 1whb h MET 25 Ca 0.02 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.51 1whb h MET 25 Cb 0.36 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 1whb h MET 25 CO 0.00 0.51 -0.37 0.52 1.06 0.00 0.00 176.91 178.63 1whb h MET 26 N 0.11 0.15 -0.85 1.72 2.07 -1.00 -3.04 114.93 114.09 1whb h MET 26 Ca 0.01 -0.06 -0.60 0.00 -2.07 0.00 0.00 59.70 56.98 1whb h MET 26 Cb 0.75 -0.01 -0.38 0.00 -1.87 0.00 0.00 31.60 30.10 1whb h MET 26 CO 0.06 0.51 -0.20 0.25 1.07 0.00 0.00 176.91 178.59 1whb n THR 27 N -4.07 2.93 -0.10 2.22 -2.24 -0.83 -4.57 114.28 107.63 1whb n THR 27 Ca -0.01 -3.77 -0.11 0.00 -2.27 0.00 0.00 64.05 57.89 1whb n THR 27 Cb 0.43 -1.15 -0.13 0.00 -2.10 0.00 0.00 70.33 67.38 1whb n THR 27 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1whb n ASP 28 N -0.78 0.91 -2.44 3.42 2.03 -1.01 -4.97 116.55 113.71 1whb n ASP 28 Ca 0.51 -0.03 -0.21 0.00 0.52 0.00 0.00 54.79 55.58 1whb n ASP 28 Cb 0.85 0.65 -0.01 0.00 -0.72 0.00 0.00 41.12 41.89 1whb n ASP 28 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1whb n LYS 29 N -2.79 -1.91 0.00 -0.67 4.01 -1.26 -4.71 118.16 110.83 1whb n LYS 29 Ca -0.32 0.99 0.00 0.00 -0.51 0.00 0.00 58.31 58.47 1whb n LYS 29 Cb 1.05 -5.67 0.00 0.00 -0.51 0.00 0.00 35.03 29.91 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 -2.04 0.00 -4.47 4.39 5.15 -1.26 -5.06 115.26 111.97 1whb n ASN 30 Ca -0.24 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.32 1whb n ASN 30 Cb 0.68 0.11 -0.10 0.00 -0.53 0.00 0.00 39.78 39.95 1whb n ASN 30 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1whb s ILE 31 N -1.90 5.21 0.93 -1.44 1.01 -1.26 -5.07 121.20 118.68 1whb s ILE 31 Ca 0.00 -0.53 -0.10 0.00 0.00 0.00 0.00 60.65 60.02 1whb s ILE 31 Cb 0.00 -3.94 0.14 0.00 0.01 0.00 0.00 42.46 38.67 1whb s ILE 31 CO 0.00 -0.31 1.09 -1.20 0.00 0.00 0.00 174.94 174.52 1whb n SER 32 N 5.28 0.11 -3.61 3.58 7.64 -1.26 -4.81 113.62 120.55 1whb n SER 32 Ca -0.10 0.40 -0.10 0.00 1.01 0.00 0.00 58.87 60.08 1whb n SER 32 Cb 0.47 -1.45 -0.06 0.00 -1.01 0.00 0.00 64.21 62.16 1whb n SER 32 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1whb s LEU 33 N -6.22 -0.42 -0.01 -3.43 2.96 -1.26 -2.57 118.68 107.73 1whb s LEU 33 Ca 0.66 0.66 0.01 0.00 -0.22 0.00 0.00 54.13 55.24 1whb s LEU 33 Cb -0.23 1.89 0.00 0.00 0.50 0.00 0.00 46.19 48.36 1whb s LEU 33 CO 0.59 -0.25 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.71 1whb s ILE 34 N -0.41 0.28 0.16 6.68 1.01 -1.23 -5.01 121.20 122.68 1whb s ILE 34 Ca 0.01 -0.11 0.05 0.00 0.00 0.00 0.00 60.65 60.59 1whb s ILE 34 Cb -0.03 -0.27 -0.04 0.00 0.01 0.00 0.00 42.46 42.13 1whb s ILE 34 CO -0.02 0.10 0.16 -0.63 0.00 0.00 0.00 174.94 174.55 1whb s ILE 35 N 0.16 4.62 -0.01 2.92 1.01 -1.26 -1.18 121.20 127.46 1whb s ILE 35 Ca -0.01 -1.02 0.01 0.00 0.00 0.00 0.00 60.65 59.62 1whb s ILE 35 Cb -0.04 -3.36 0.01 0.00 0.01 0.00 0.00 42.46 39.07 1whb s ILE 35 CO -0.00 -0.11 -0.02 -0.04 0.00 0.00 0.00 174.94 174.77 1whb s MET 36 N -3.13 0.22 -0.84 2.79 -1.94 -0.85 1.00 119.30 116.54 1whb s MET 36 Ca 0.32 -0.05 -0.16 0.00 -1.71 0.00 0.00 55.69 54.09 1whb s MET 36 Cb -0.10 -0.26 0.18 0.00 2.01 0.00 0.00 34.83 36.65 1whb s MET 36 CO 0.24 0.01 0.89 -0.51 -0.01 0.00 0.00 175.02 175.63 1whb s ASP 37 N 0.21 6.66 -1.12 3.03 1.11 -0.83 -0.25 116.67 125.49 1whb s ASP 37 Ca -0.02 -2.34 -0.12 0.00 0.18 0.00 0.00 52.55 50.26 1whb s ASP 37 Cb -0.04 -2.29 -0.07 0.00 1.07 0.00 0.00 42.92 41.59 1whb s ASP 37 CO -0.01 -0.80 2.26 0.00 1.18 0.00 0.00 175.17 177.81 1whb n ALA 38 N 5.12 5.11 -3.56 5.23 0.00 -1.25 -3.37 120.51 127.78 1whb n ALA 38 Ca 0.15 -2.93 -0.08 0.00 0.00 0.00 0.00 53.44 50.58 1whb n ALA 38 Cb 0.47 -3.32 -0.02 0.00 0.00 0.00 0.00 19.45 16.58 1whb n ALA 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1whb n ARG 39 N 5.05 0.32 -0.86 0.00 3.00 -1.23 -4.80 116.66 118.14 1whb n ARG 39 Ca 0.54 -1.50 -0.32 0.00 -0.01 0.00 0.00 57.85 56.56 1whb n ARG 39 Cb 0.26 1.38 0.15 0.00 0.00 0.00 0.00 32.46 34.25 1whb n ARG 39 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1whb s ARG 40 N -2.48 1.27 0.29 5.56 1.81 -1.26 -2.37 118.95 121.77 1whb s ARG 40 Ca 0.16 1.61 0.08 0.00 -1.72 0.00 0.00 55.73 55.86 1whb s ARG 40 Cb -0.00 -1.75 0.45 0.00 -0.45 0.00 0.00 34.95 33.19 1whb s ARG 40 CO 0.12 -2.45 1.68 1.98 -0.68 0.00 0.00 175.30 175.94 1whb h MET 41 N -1.51 0.13 -0.05 3.54 4.05 -1.94 -2.88 114.93 116.26 1whb h MET 41 Ca -0.44 -0.07 -0.08 0.00 -0.28 0.00 0.00 59.70 58.82 1whb h MET 41 Cb 1.28 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.07 1whb h MET 41 CO 0.43 0.59 -0.36 0.37 0.23 0.00 0.00 176.91 178.18 1whb h GLN 42 N 0.10 0.10 -0.33 0.39 4.15 -2.00 -2.96 115.11 114.56 1whb h GLN 42 Ca 0.00 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.35 1whb h GLN 42 Cb 0.91 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.58 1whb h GLN 42 CO 0.07 0.45 0.07 0.22 -1.93 0.00 0.00 178.83 177.71 1whb h ASP 43 N 0.09 0.51 -0.53 -0.69 3.58 -1.86 -1.99 116.42 115.54 1whb h ASP 43 Ca 0.01 -0.24 0.01 0.00 0.42 0.00 0.00 57.03 57.23 1whb h ASP 43 Cb 0.68 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.57 1whb h ASP 43 CO 0.05 0.62 0.34 0.22 -2.88 0.00 0.00 179.24 177.60 1whb h TYR 44 N 0.37 0.65 -0.10 0.28 3.20 -1.54 0.39 116.97 120.22 1whb h TYR 44 Ca 0.10 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 1whb h TYR 44 Cb 0.32 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 1whb h TYR 44 CO 0.02 0.40 -0.12 1.96 -1.64 0.00 0.00 178.16 178.78 1whb h GLN 45 N 0.70 0.16 0.01 1.82 4.20 -1.41 -3.22 115.11 117.36 1whb h GLN 45 Ca 0.20 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.88 1whb h GLN 45 Cb -0.05 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.70 1whb h GLN 45 CO -0.06 0.29 -0.00 0.22 -0.67 0.00 0.00 178.83 178.61 1whb h ASP 46 N 0.15 -0.01 -3.82 1.46 3.58 -0.56 -3.48 116.42 113.74 1whb h ASP 46 Ca 0.03 -0.18 -0.23 0.00 0.42 0.00 0.00 57.03 57.08 1whb h ASP 46 Cb 0.31 0.00 -0.27 0.00 1.72 0.00 0.00 39.33 41.09 1whb h ASP 46 CO 0.02 0.58 -0.72 -0.94 -2.88 0.00 0.00 179.24 175.30 1whb s SER 47 N -5.66 0.02 -0.04 2.28 1.04 0.13 -4.70 113.70 106.77 1whb s SER 47 Ca -0.04 -0.04 -0.30 0.00 0.48 0.00 0.00 55.95 56.06 1whb s SER 47 Cb -0.01 0.01 0.11 0.00 0.10 0.00 0.00 66.02 66.23 1whb s SER 47 CO 0.13 -0.02 0.94 0.00 0.98 0.00 0.00 173.24 175.27 1whb s ILE 49 N -2.88 3.60 0.00 0.00 1.01 -1.26 -2.44 121.20 119.23 1whb s ILE 49 Ca 0.05 0.60 0.00 0.00 0.00 0.00 0.00 60.65 61.30 1whb s ILE 49 Cb -0.01 -3.18 0.00 0.00 0.01 0.00 0.00 42.46 39.28 1whb s ILE 49 CO -0.08 -0.60 0.64 0.18 0.00 0.00 0.00 174.94 175.08 1whb n LEU 50 N -2.93 0.17 -4.32 2.97 4.77 -1.00 -4.09 117.00 112.56 1whb n LEU 50 Ca 0.09 0.66 -0.44 0.00 -0.03 0.00 0.00 56.01 56.29 1whb n LEU 50 Cb 0.53 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1whb n LEU 50 CO 0.52 -0.21 1.50 1.41 -1.33 0.00 0.00 177.39 179.28 1whb n HIS 51 N -1.13 4.49 -4.08 -1.77 8.25 -1.26 -4.93 115.22 114.79 1whb n HIS 51 Ca 0.00 -3.24 -0.10 0.00 -0.26 0.00 0.00 57.72 54.11 1whb n HIS 51 Cb 0.00 -2.10 -0.07 0.00 1.12 0.00 0.00 29.99 28.94 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 2.26 0.05 0.30 0.41 1.04 -1.26 -4.60 113.70 111.91 1whb s SER 52 Ca 0.42 -1.13 0.08 0.00 0.48 0.00 0.00 55.95 55.80 1whb s SER 52 Cb -0.00 0.52 -0.03 0.00 0.10 0.00 0.00 66.02 66.60 1whb s SER 52 CO 0.00 -1.04 0.21 -0.22 0.98 0.00 0.00 173.24 173.17 1whb s LEU 53 N -3.08 3.58 0.17 2.42 2.96 0.28 -4.91 118.68 120.10 1whb s LEU 53 Ca 0.29 -0.47 0.10 0.00 -0.22 0.00 0.00 54.13 53.83 1whb s LEU 53 Cb 0.02 -2.14 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 1whb s LEU 53 CO 0.11 -0.21 -0.19 -0.94 -1.32 0.00 0.00 176.35 173.80 1whb s SER 54 N -3.89 3.77 -0.30 3.68 1.04 -1.26 -1.96 113.70 114.77 1whb s SER 54 Ca 0.37 -0.71 -0.06 0.00 0.48 0.00 0.00 55.95 56.03 1whb s SER 54 Cb -0.06 -0.45 0.17 0.00 0.10 0.00 0.00 66.02 65.78 1whb s SER 54 CO 0.25 0.13 0.71 0.54 0.98 0.00 0.00 173.24 175.85 1whb s VAL 55 N -1.53 -0.85 0.60 5.02 0.11 -1.22 -4.77 120.40 117.76 1whb s VAL 55 Ca 0.21 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 59.08 1whb s VAL 55 Cb -0.09 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.73 1whb s VAL 55 CO 0.11 0.00 1.16 -2.16 -3.33 0.00 0.00 175.10 170.88 1whb s PRO 56 N 2.85 3.00 0.10 1.54 0.04 -1.26 -3.46 135.00 137.81 1whb s PRO 56 Ca 0.10 1.65 0.01 0.00 0.04 0.00 0.00 61.00 62.80 1whb s PRO 56 Cb -0.13 -1.95 -0.22 0.00 0.04 0.00 0.00 34.50 32.24 1whb s PRO 56 CO -0.19 -1.14 1.23 1.49 0.04 0.00 0.00 177.00 178.43 1whb h GLU 57 N 0.71 0.16 -0.12 4.56 4.81 -1.79 -3.21 114.58 119.70 1whb h GLU 57 Ca -0.49 -0.25 -0.03 0.00 -0.13 0.00 0.00 59.36 58.45 1whb h GLU 57 Cb 1.27 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.73 1whb h GLU 57 CO 0.55 1.10 -0.08 1.49 -0.73 0.00 0.00 179.01 181.34 1whb h GLU 58 N 0.05 0.18 -0.00 1.92 4.81 -1.93 -2.19 114.58 117.42 1whb h GLU 58 Ca -0.07 -0.03 -0.18 0.00 -0.13 0.00 0.00 59.36 58.95 1whb h GLU 58 Cb 1.83 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 31.16 1whb h GLU 58 CO 0.17 0.28 -0.82 0.00 -0.73 0.00 0.00 179.01 177.90 1whb h ALA 59 N 1.75 0.63 -2.71 2.92 0.00 -1.89 -3.44 119.26 116.52 1whb h ALA 59 Ca 0.04 -0.72 -0.56 0.00 0.00 0.00 0.00 54.91 53.68 1whb h ALA 59 Cb 0.26 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1whb h ALA 59 CO 0.01 0.95 0.07 0.42 0.00 0.00 0.00 179.25 180.71 1whb s ILE 60 N -3.22 4.79 0.13 0.00 1.01 -0.82 -4.67 121.20 118.41 1whb s ILE 60 Ca -0.01 1.44 0.07 0.00 0.00 0.00 0.00 60.65 62.14 1whb s ILE 60 Cb 0.11 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 1whb s ILE 60 CO 0.80 0.41 -0.17 -0.44 0.00 0.00 0.00 174.94 175.55 1whb s SER 61 N -0.24 2.29 -0.87 3.58 0.01 -1.26 -4.91 113.70 112.29 1whb s SER 61 Ca 0.34 -0.78 -0.25 0.00 1.31 0.00 0.00 55.95 56.58 1whb s SER 61 Cb -0.20 -0.11 -0.05 0.00 0.21 0.00 0.00 66.02 65.88 1whb s SER 61 CO 0.20 -0.06 1.96 -2.16 0.41 0.00 0.00 173.24 173.59 1whb s PRO 62 N -2.45 2.52 0.00 12.44 0.04 -1.26 -3.73 135.00 142.56 1whb s PRO 62 Ca 0.09 -0.17 0.00 0.00 0.04 0.00 0.00 61.00 60.96 1whb s PRO 62 Cb -0.07 -4.99 0.00 0.00 0.04 0.00 0.00 34.50 29.48 1whb s PRO 62 CO 0.04 -3.36 0.00 0.41 0.04 0.00 0.00 177.00 174.13 1whb n GLY 63 N 6.75 0.75 3.30 0.56 0.00 -1.26 -5.09 105.19 110.19 1whb n GLY 63 Ca 0.39 -0.74 -0.20 0.00 0.00 0.00 0.00 46.02 45.47 1whb n GLY 63 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1whb s VAL 64 N -1.31 0.04 0.47 1.61 -7.23 -1.24 -5.17 120.40 107.56 1whb s VAL 64 Ca 0.00 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.24 1whb s VAL 64 Cb 0.00 -2.49 -0.00 0.00 0.56 0.00 0.00 36.38 34.45 1whb s VAL 64 CO 0.00 0.00 0.35 0.42 -0.31 0.00 0.00 175.10 175.56 1whb s THR 65 N -3.45 2.14 0.32 5.32 -4.23 -1.26 -4.43 115.64 110.05 1whb s THR 65 Ca 0.40 -1.48 0.03 0.00 -1.18 0.00 0.00 61.69 59.45 1whb s THR 65 Cb 0.02 -2.63 0.16 0.00 1.34 0.00 0.00 72.50 71.40 1whb s THR 65 CO 0.26 0.00 1.87 0.00 -0.54 0.00 0.00 174.62 176.22 1whb h ALA 66 N 0.99 1.35 -0.15 3.99 0.00 -1.71 -2.23 119.26 121.50 1whb h ALA 66 Ca -0.40 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.32 1whb h ALA 66 Cb 1.28 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1whb h ALA 66 CO 0.60 0.46 0.08 0.66 0.00 0.00 0.00 179.25 181.05 1whb h SER 67 N 0.60 0.18 0.62 0.00 4.64 -1.90 0.14 113.55 117.83 1whb h SER 67 Ca 0.13 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.41 1whb h SER 67 Cb 0.29 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 62.34 1whb h SER 67 CO 0.00 0.15 -0.30 -0.25 -0.87 0.00 0.00 176.83 175.57 1whb h TRP 68 N 0.21 -0.77 -0.11 4.77 2.91 -1.80 -1.79 115.95 119.37 1whb h TRP 68 Ca 0.06 -0.02 -0.08 0.00 1.13 0.00 0.00 58.89 59.98 1whb h TRP 68 Cb 0.02 0.25 -0.01 0.00 -0.51 0.00 0.00 29.16 28.91 1whb h TRP 68 CO 0.00 -0.43 -0.28 0.82 -1.03 0.00 0.00 178.44 177.52 1whb h ILE 69 N -1.04 1.25 -0.72 2.65 5.03 -1.52 -2.74 117.51 120.42 1whb h ILE 69 Ca -0.08 -1.17 -0.04 0.00 -0.12 0.00 0.00 64.86 63.45 1whb h ILE 69 Cb 0.68 1.48 -0.03 0.00 -3.03 0.00 0.00 36.82 35.92 1whb h ILE 69 CO 0.14 0.35 0.30 -0.08 -0.68 0.00 0.00 178.15 178.17 1whb h GLU 70 N 0.18 1.06 -0.13 2.37 4.81 -0.66 -2.59 114.58 119.62 1whb h GLU 70 Ca 0.03 -0.18 -0.15 0.00 -0.13 0.00 0.00 59.36 58.93 1whb h GLU 70 Cb 0.60 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1whb h GLU 70 CO 0.04 0.85 -0.57 0.00 -0.73 0.00 0.00 179.01 178.61 1whb h ALA 71 N 1.28 0.78 -2.94 2.92 0.00 -1.04 -3.36 119.26 116.90 1whb h ALA 71 Ca 0.24 -0.52 -0.72 0.00 0.00 0.00 0.00 54.91 53.92 1whb h ALA 71 Cb 0.18 -0.08 -0.34 0.00 0.00 0.00 0.00 17.79 17.55 1whb h ALA 71 CO -0.02 0.70 -0.13 -1.01 0.00 0.00 0.00 179.25 178.79 1whb s HIS 72 N -3.89 3.75 0.02 0.00 3.76 -0.98 -5.02 115.29 112.92 1whb s HIS 72 Ca -0.06 -2.82 -0.23 0.00 -0.15 0.00 0.00 55.06 51.80 1whb s HIS 72 Cb 0.12 -3.31 0.05 0.00 1.11 0.00 0.00 32.58 30.54 1whb s HIS 72 CO 0.82 -0.80 0.52 -0.51 -0.85 0.00 0.00 174.74 173.92 1whb s LEU 73 N -0.80 -0.06 1.12 0.89 1.43 -1.23 -4.78 118.68 115.24 1whb s LEU 73 Ca 0.23 0.28 -0.17 0.00 -1.03 0.00 0.00 54.13 53.44 1whb s LEU 73 Cb -0.12 2.09 0.17 0.00 0.03 0.00 0.00 46.19 48.36 1whb s LEU 73 CO -0.09 -0.65 0.25 -2.65 0.23 0.00 0.00 176.35 173.44 1whb n PRO 74 N 0.65 -2.29 0.04 1.29 -0.02 -1.26 -4.76 135.00 128.65 1whb n PRO 74 Ca -0.19 -0.66 -0.10 0.00 -2.02 0.00 0.00 63.50 60.53 1whb n PRO 74 Cb 0.59 -1.65 -0.13 0.00 -0.02 0.00 0.00 33.50 32.29 1whb n PRO 74 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1whb h ASP 75 N -2.51 0.10 0.69 2.55 5.19 -2.01 -2.79 116.42 117.64 1whb h ASP 75 Ca -0.42 -0.13 -0.26 0.00 -0.62 0.00 0.00 57.03 55.60 1whb h ASP 75 Cb 1.13 -0.03 -0.03 0.00 0.18 0.00 0.00 39.33 40.58 1whb h ASP 75 CO 0.28 1.11 -1.38 -0.78 -3.12 0.00 0.00 179.24 175.36 1whb h ASP 76 N 0.02 0.08 0.72 6.45 3.58 -2.01 -3.33 116.42 121.93 1whb h ASP 76 Ca -0.14 -0.12 -0.20 0.00 0.42 0.00 0.00 57.03 56.99 1whb h ASP 76 Cb 1.90 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 42.90 1whb h ASP 76 CO 0.13 1.10 -0.90 -1.28 -2.88 0.00 0.00 179.24 175.41 1whb h SER 77 N 0.01 0.14 -0.05 2.28 0.87 -1.90 -3.19 113.55 111.72 1whb h SER 77 Ca -0.16 -0.12 0.01 0.00 -1.23 0.00 0.00 61.79 60.29 1whb h SER 77 Cb 1.91 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 63.83 1whb h SER 77 CO 0.12 0.96 0.04 0.11 -0.53 0.00 0.00 176.83 177.53 1whb h LYS 78 N 0.05 0.00 0.62 2.24 1.57 -1.60 0.15 116.57 119.60 1whb h LYS 78 Ca -0.03 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1whb h LYS 78 Cb 1.55 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.87 1whb h LYS 78 CO 0.13 0.00 -0.30 0.22 -0.57 0.00 0.00 179.45 178.93 1whb h ASP 79 N 0.00 -0.70 0.51 0.86 3.58 -1.68 -2.68 116.42 116.30 1whb h ASP 79 Ca 0.02 -0.01 -0.13 0.00 0.42 0.00 0.00 57.03 57.33 1whb h ASP 79 Cb 0.09 0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.31 1whb h ASP 79 CO -0.00 -0.43 -0.59 0.74 -2.88 0.00 0.00 179.24 176.08 1whb h THR 80 N -0.93 1.41 -0.33 2.25 2.02 -1.63 -3.00 112.91 112.70 1whb h THR 80 Ca -0.08 -2.00 0.07 0.00 0.77 0.00 0.00 66.41 65.17 1whb h THR 80 Cb 0.67 2.05 -0.02 0.00 -1.74 0.00 0.00 68.15 69.12 1whb h THR 80 CO 0.14 0.58 0.23 -0.25 0.37 0.00 0.00 175.52 176.58 1whb h TRP 81 N 0.06 0.11 0.00 3.16 2.91 -0.64 0.51 115.95 122.06 1whb h TRP 81 Ca -0.01 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.02 1whb h TRP 81 Cb 1.06 -0.04 0.00 0.00 -0.51 0.00 0.00 29.16 29.67 1whb h TRP 81 CO 0.01 0.06 -0.48 0.87 -1.03 0.00 0.00 178.44 177.86 1whb h LYS 82 N 0.11 0.00 -0.32 2.65 1.57 -1.33 -3.26 116.57 116.00 1whb h LYS 82 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1whb h LYS 82 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1whb h LYS 82 CO -0.02 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.49 1whb n LYS 83 N -2.89 1.73 0.22 3.15 5.02 0.15 -4.10 118.16 121.44 1whb n LYS 83 Ca 0.02 -1.12 0.06 0.00 -2.02 0.00 0.00 58.31 55.26 1whb n LYS 83 Cb 0.54 -1.25 0.56 0.00 -0.02 0.00 0.00 35.03 34.87 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 1.82 0.06 0.00 1.97 -0.00 -1.55 -1.49 114.38 115.18 1whb h ARG 84 Ca 0.00 -0.01 -0.07 0.00 -0.00 0.00 0.00 59.98 59.91 1whb h ARG 84 Cb 0.42 -0.01 -0.01 0.00 -0.00 0.00 0.00 29.97 30.37 1whb h ARG 84 CO 0.00 0.11 -0.32 0.78 -0.00 0.00 0.00 179.97 180.54 1whb h GLY 85 N 0.26 0.00 1.88 0.08 0.00 -1.87 -3.23 103.07 100.19 1whb h GLY 85 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.14 1whb h GLY 85 CO 0.01 0.00 -0.95 -0.57 0.00 0.00 0.00 176.54 175.02 1whb h ASN 86 N 0.00 0.14 -3.55 0.19 -0.73 -1.56 -3.46 115.58 106.60 1whb h ASN 86 Ca -0.00 -0.13 -0.39 0.00 1.87 0.00 0.00 56.30 57.66 1whb h ASN 86 Cb 1.18 -0.04 0.17 0.00 0.27 0.00 0.00 38.32 39.90 1whb h ASN 86 CO 0.04 1.01 0.31 1.33 -0.37 0.00 0.00 177.43 179.75 1whb n VAL 87 N -3.52 0.00 0.00 2.57 0.24 -0.97 -4.97 118.33 111.67 1whb n VAL 87 Ca -0.02 -0.77 0.00 0.00 -2.04 0.00 0.00 64.34 61.51 1whb n VAL 87 Cb 0.88 -1.46 0.00 0.00 -1.47 0.00 0.00 33.84 31.79 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 -3.85 0.00 -2.29 7.34 2.13 -1.24 -4.86 120.64 117.87 1whb n GLU 88 Ca 0.15 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.72 1whb n GLU 88 Cb 0.53 -0.15 0.08 0.00 0.27 0.00 0.00 31.44 32.17 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 -0.68 2.63 -0.18 4.31 1.51 -1.06 -4.21 117.35 119.67 1whb s TYR 89 Ca 0.00 0.28 -0.12 0.00 -1.01 0.00 0.00 57.07 56.21 1whb s TYR 89 Cb 0.00 -3.19 0.05 0.00 -0.11 0.00 0.00 41.96 38.72 1whb s TYR 89 CO 0.00 -1.48 0.44 0.08 -1.11 0.00 0.00 175.55 173.49 1whb s VAL 90 N -3.22 -0.01 0.17 0.71 1.01 -1.26 -3.55 120.40 114.24 1whb s VAL 90 Ca 0.62 0.05 0.06 0.00 0.00 0.00 0.00 61.98 62.71 1whb s VAL 90 Cb -0.09 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 1whb s VAL 90 CO 0.44 0.02 -0.13 -0.69 0.00 0.00 0.00 175.10 174.75 1whb s VAL 91 N 0.96 1.46 0.48 2.92 1.01 -0.33 -0.14 120.40 126.77 1whb s VAL 91 Ca -0.06 -2.07 0.02 0.00 0.00 0.00 0.00 61.98 59.88 1whb s VAL 91 Cb -0.06 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 1whb s VAL 91 CO -0.08 -0.62 0.08 -0.76 0.00 0.00 0.00 175.10 173.72 1whb s LEU 92 N -3.10 2.08 0.00 3.92 1.43 0.25 -2.01 118.68 121.25 1whb s LEU 92 Ca 0.18 -1.73 0.05 0.00 -1.03 0.00 0.00 54.13 51.60 1whb s LEU 92 Cb -0.00 -0.36 -0.02 0.00 0.03 0.00 0.00 46.19 45.83 1whb s LEU 92 CO 0.04 -0.97 0.19 0.18 0.23 0.00 0.00 176.35 176.02 1whb n LEU 93 N -1.14 0.00 0.00 1.79 4.77 0.66 -1.95 117.00 121.12 1whb n LEU 93 Ca -0.14 -3.26 0.03 0.00 -0.03 0.00 0.00 56.01 52.61 1whb n LEU 93 Cb 0.66 1.24 0.01 0.00 -2.33 0.00 0.00 43.42 43.00 1whb n LEU 93 CO 0.35 -0.51 1.10 -0.90 -1.33 0.00 0.00 177.39 176.10 1whb n ASP 94 N -1.54 -1.21 -0.12 -1.43 5.68 -1.26 -3.96 116.55 112.72 1whb n ASP 94 Ca -0.03 -1.26 -0.24 0.00 -0.50 0.00 0.00 54.79 52.76 1whb n ASP 94 Cb 0.64 1.87 -0.09 0.00 -1.14 0.00 0.00 41.12 42.40 1whb n ASP 94 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1whb n TRP 95 N -0.92 0.00 -2.94 2.11 5.03 -1.26 0.11 117.44 119.57 1whb n TRP 95 Ca 0.04 0.00 -0.14 0.00 3.03 0.00 0.00 57.50 60.43 1whb n TRP 95 Cb 0.58 -0.86 -0.00 0.00 -1.03 0.00 0.00 31.31 30.00 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 -3.94 -2.29 -3.66 -5.99 3.72 -1.26 -4.38 117.46 99.67 1whb n PHE 96 Ca -0.46 -2.39 -0.02 0.00 -0.05 0.00 0.00 57.45 54.53 1whb n PHE 96 Cb 0.85 0.86 -0.01 0.00 -0.94 0.00 0.00 39.48 40.23 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 -1.10 -0.14 0.36 4.37 0.15 -1.26 -5.12 113.70 110.96 1whb s SER 97 Ca 0.33 -0.21 0.01 0.00 0.70 0.00 0.00 55.95 56.78 1whb s SER 97 Cb 0.17 0.30 -0.00 0.00 -1.71 0.00 0.00 66.02 64.77 1whb s SER 97 CO -0.18 -0.54 0.45 -0.44 1.20 0.00 0.00 173.24 173.73 1whb s SER 98 N -2.84 1.25 0.57 5.45 0.01 -1.26 -4.01 113.70 112.88 1whb s SER 98 Ca 0.12 -1.61 0.27 0.00 1.31 0.00 0.00 55.95 56.03 1whb s SER 98 Cb 0.01 0.66 1.64 0.00 0.21 0.00 0.00 66.02 68.55 1whb s SER 98 CO -0.02 -1.28 2.17 0.00 0.41 0.00 0.00 173.24 174.51 1whb h ALA 99 N 2.07 1.77 0.00 1.44 0.00 -1.83 0.03 119.26 122.73 1whb h ALA 99 Ca -0.27 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 1whb h ALA 99 Cb 1.24 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1whb h ALA 99 CO 0.37 -0.14 -0.83 0.87 0.00 0.00 0.00 179.25 179.53 1whb h LYS 100 N 0.00 0.00 -0.70 0.00 1.57 -1.93 -3.27 116.57 112.23 1whb h LYS 100 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1whb h LYS 100 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1whb h LYS 100 CO -0.00 0.27 0.00 -3.47 -0.57 0.00 0.00 179.45 175.68 1whb n ASP 101 N -3.00 3.98 -4.51 0.86 2.03 -0.03 -4.84 116.55 111.04 1whb n ASP 101 Ca -0.02 -2.55 -0.42 0.00 0.52 0.00 0.00 54.79 52.33 1whb n ASP 101 Cb 0.71 -0.59 -0.03 0.00 -0.72 0.00 0.00 41.12 40.48 1whb n ASP 101 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1whb s LEU 102 N -1.73 3.74 0.78 -2.67 1.43 -1.08 -4.70 118.68 114.45 1whb s LEU 102 Ca 0.36 -0.91 -0.09 0.00 -1.03 0.00 0.00 54.13 52.46 1whb s LEU 102 Cb 0.26 -2.51 0.11 0.00 0.03 0.00 0.00 46.19 44.09 1whb s LEU 102 CO 0.12 -1.60 1.11 -1.10 0.23 0.00 0.00 176.35 175.11 1whb s GLN 103 N 4.86 1.71 -1.14 1.70 -0.21 -1.26 -4.95 119.66 120.37 1whb s GLN 103 Ca 0.33 -0.36 -0.22 0.00 0.02 0.00 0.00 55.36 55.14 1whb s GLN 103 Cb -0.09 -2.08 -0.00 0.00 1.00 0.00 0.00 33.01 31.84 1whb s GLN 103 CO 0.07 -1.61 1.78 0.42 -2.12 0.00 0.00 175.29 173.84 1whb s ILE 104 N -3.44 3.79 0.00 1.08 1.01 -1.26 -3.44 121.20 118.94 1whb s ILE 104 Ca 0.65 -1.11 0.00 0.00 0.00 0.00 0.00 60.65 60.18 1whb s ILE 104 Cb -0.08 -4.77 0.00 0.00 0.01 0.00 0.00 42.46 37.62 1whb s ILE 104 CO 0.47 -1.50 0.00 0.61 0.00 0.00 0.00 174.94 174.52 1whb n GLY 105 N 6.07 0.26 3.62 6.18 0.00 -1.26 -5.17 105.19 114.88 1whb n GLY 105 Ca 0.43 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.30 2.44 0.21 2.61 -4.23 -1.22 -5.03 115.64 110.12 1whb s THR 106 Ca 0.00 -2.01 0.06 0.00 -1.18 0.00 0.00 61.69 58.56 1whb s THR 106 Cb 0.00 -2.80 -0.09 0.00 1.34 0.00 0.00 72.50 70.95 1whb s THR 106 CO 0.00 -0.16 1.49 0.74 -0.54 0.00 0.00 174.62 176.14 1whb h THR 107 N 1.82 1.49 -0.27 3.99 2.02 -1.94 -2.56 112.91 117.46 1whb h THR 107 Ca -0.43 -2.42 -0.10 0.00 0.77 0.00 0.00 66.41 64.22 1whb h THR 107 Cb 1.25 2.31 -0.00 0.00 -1.74 0.00 0.00 68.15 69.96 1whb h THR 107 CO 0.69 0.70 -0.24 -0.07 0.37 0.00 0.00 175.52 176.98 1whb h LEU 108 N 0.07 0.68 0.13 2.58 3.38 -1.94 -1.90 115.31 118.31 1whb h LEU 108 Ca -0.02 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.49 1whb h LEU 108 Cb 1.31 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1whb h LEU 108 CO 0.11 1.00 -0.06 0.03 0.09 0.00 0.00 178.44 179.60 1whb h ARG 109 N 0.37 -0.17 -0.14 1.13 3.08 -1.89 0.50 114.38 117.26 1whb h ARG 109 Ca 0.05 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.15 1whb h ARG 109 Cb 0.79 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 1whb h ARG 109 CO 0.06 0.14 0.10 0.66 -1.07 0.00 0.00 179.97 179.86 1whb h SER 110 N -0.49 0.00 0.69 7.04 4.64 -1.52 0.31 113.55 124.22 1whb h SER 110 Ca -0.02 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.05 1whb h SER 110 Cb 0.39 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.44 1whb h SER 110 CO 0.03 0.00 -1.44 0.25 -0.87 0.00 0.00 176.83 174.80 1whb h LEU 111 N 0.00 0.00 -0.11 5.97 5.85 -1.15 -2.90 115.31 122.97 1whb h LEU 111 Ca 0.07 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.56 1whb h LEU 111 Cb 0.27 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1whb h LEU 111 CO -0.00 0.96 -1.01 0.50 -0.34 0.00 0.00 178.44 178.55 1whb h LYS 112 N 0.00 0.23 0.00 1.25 3.64 0.12 -3.18 116.57 118.63 1whb h LYS 112 Ca -0.18 -0.30 -0.10 0.00 -1.27 0.00 0.00 60.65 58.79 1whb h LYS 112 Cb 1.89 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.80 1whb h LYS 112 CO 0.09 1.06 -0.63 0.38 -2.27 0.00 0.00 179.45 178.08 1whb h ASP 113 N 0.11 0.00 -0.40 4.20 3.04 -0.57 -3.24 116.42 119.56 1whb h ASP 113 Ca -0.07 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.72 1whb h ASP 113 Cb 1.68 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.97 1whb h ASP 113 CO 0.16 0.43 0.00 0.00 -2.04 0.00 0.00 179.24 177.79 1whb n ALA 114 N -2.24 3.23 -0.00 4.15 0.00 -1.09 -0.35 120.51 124.21 1whb n ALA 114 Ca 0.00 -1.19 -0.00 0.00 0.00 0.00 0.00 53.44 52.25 1whb n ALA 114 Cb 0.72 -1.06 -0.00 0.00 0.00 0.00 0.00 19.45 19.11 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 0.52 0.00 0.04 0.00 4.77 -1.20 -3.41 117.00 117.71 1whb n LEU 115 Ca 0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1whb n LEU 115 Cb 0.79 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.89 1whb n LEU 115 CO 0.20 0.00 -0.11 0.33 -1.33 0.00 0.00 177.39 176.48 1whb n PHE 116 N -1.85 -0.60 -0.22 -1.77 -0.00 -1.24 -4.50 117.46 107.27 1whb n PHE 116 Ca -0.00 0.11 -0.01 0.00 -0.00 0.00 0.00 57.45 57.54 1whb n PHE 116 Cb 0.35 0.36 0.10 0.00 -0.00 0.00 0.00 39.48 40.29 1whb n PHE 116 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 1whb h LYS 117 N 0.00 0.59 0.00 -4.13 3.11 -1.72 -3.36 116.57 111.06 1whb h LYS 117 Ca 0.00 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.80 1whb h LYS 117 Cb 0.22 -0.13 0.00 0.00 -1.00 0.00 0.00 32.23 31.32 1whb h LYS 117 CO 0.00 0.39 -0.68 0.91 -2.81 0.00 0.00 179.45 177.25 1whb n TRP 118 N -4.84 0.01 -1.40 1.91 5.03 0.52 -5.03 117.44 113.65 1whb n TRP 118 Ca 0.08 0.01 0.17 0.00 3.03 0.00 0.00 57.50 60.79 1whb n TRP 118 Cb 0.20 -0.35 -0.08 0.00 -1.03 0.00 0.00 31.31 30.04 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 -3.85 -3.17 -0.13 -0.99 -0.58 -1.26 -4.86 120.64 105.80 1whb n GLU 119 Ca -0.10 2.52 -0.27 0.00 -0.42 0.00 0.00 57.16 58.89 1whb n GLU 119 Cb 0.36 -3.73 -0.11 0.00 -0.57 0.00 0.00 31.44 27.39 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 -4.27 1.96 0.00 1.62 2.88 -1.26 -4.15 113.62 110.40 1whb n SER 120 Ca -0.07 0.27 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 1whb n SER 120 Cb 0.66 -0.77 0.00 0.00 -0.75 0.00 0.00 64.21 63.35 1whb n SER 120 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1whb n LYS 121 N -4.10 0.00 -1.58 -1.46 5.02 -1.26 -4.97 118.16 109.82 1whb n LYS 121 Ca -0.51 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.48 1whb n LYS 121 Cb 0.89 -0.03 0.09 0.00 -0.02 0.00 0.00 35.03 35.96 1whb n LYS 121 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1whb s THR 122 N -1.60 3.14 -0.01 -0.18 2.01 -1.26 -5.08 115.64 112.66 1whb s THR 122 Ca 0.00 0.37 0.05 0.00 0.31 0.00 0.00 61.69 62.42 1whb s THR 122 Cb 0.00 -3.13 -0.01 0.00 0.01 0.00 0.00 72.50 69.36 1whb s THR 122 CO 0.00 -0.48 -0.15 0.54 -0.69 0.00 0.00 174.62 173.84 1whb s VAL 123 N -3.17 1.16 0.69 3.82 0.11 -1.26 -4.90 120.40 116.85 1whb s VAL 123 Ca 0.60 -0.63 0.01 0.00 -2.93 0.00 0.00 61.98 59.03 1whb s VAL 123 Cb -0.14 -0.97 0.12 0.00 -1.53 0.00 0.00 36.38 33.86 1whb s VAL 123 CO 0.54 0.33 0.95 -0.76 -3.33 0.00 0.00 175.10 172.83 1whb s LEU 124 N -0.35 3.01 -0.04 2.54 1.43 -1.26 -4.91 118.68 119.10 1whb s LEU 124 Ca 0.06 -0.42 0.08 0.00 -1.03 0.00 0.00 54.13 52.82 1whb s LEU 124 Cb -0.06 -1.97 -0.24 0.00 0.03 0.00 0.00 46.19 43.96 1whb s LEU 124 CO -0.01 -1.75 0.67 0.08 0.23 0.00 0.00 176.35 175.58 1whb h ARG 125 N -0.39 0.06 0.00 1.70 0.11 -1.89 -3.49 114.38 110.48 1whb h ARG 125 Ca -0.36 -0.10 -0.27 0.00 0.10 0.00 0.00 59.98 59.35 1whb h ARG 125 Cb 1.27 0.04 -0.07 0.00 1.11 0.00 0.00 29.97 32.32 1whb h ARG 125 CO 0.41 0.68 -0.22 0.27 0.10 0.00 0.00 179.97 181.21 1whb n ASN 126 N -3.16 -0.70 -4.79 0.08 0.23 -1.26 -5.13 115.26 100.52 1whb n ASN 126 Ca -0.18 -2.43 -0.38 0.00 -0.53 0.00 0.00 54.58 51.06 1whb n ASN 126 Cb 1.04 1.44 -0.06 0.00 -2.08 0.00 0.00 39.78 40.13 1whb n ASN 126 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1whb s GLU 127 N -2.77 4.11 0.34 -3.83 2.02 -1.26 -4.93 118.70 112.39 1whb s GLU 127 Ca 0.24 0.44 -0.26 0.00 0.02 0.00 0.00 54.97 55.41 1whb s GLU 127 Cb 0.00 -3.31 -0.13 0.00 0.10 0.00 0.00 34.13 30.80 1whb s GLU 127 CO 0.17 0.48 0.97 -2.30 0.02 0.00 0.00 175.26 174.60 1whb n PRO 128 N 2.55 1.29 -4.12 0.39 -0.02 -1.26 -4.82 135.00 129.01 1whb n PRO 128 Ca -0.11 0.46 -0.27 0.00 -2.02 0.00 0.00 63.50 61.55 1whb n PRO 128 Cb 0.52 -1.88 -0.03 0.00 -0.02 0.00 0.00 33.50 32.09 1whb n PRO 128 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1whb s LEU 129 N 0.26 2.69 -0.04 2.45 1.43 0.80 -4.85 118.68 121.43 1whb s LEU 129 Ca 0.60 -1.30 0.02 0.00 -1.03 0.00 0.00 54.13 52.42 1whb s LEU 129 Cb -0.65 -1.15 0.01 0.00 0.03 0.00 0.00 46.19 44.44 1whb s LEU 129 CO 0.59 -0.95 -0.06 0.54 0.23 0.00 0.00 176.35 176.70 1whb s VAL 130 N -2.76 0.62 0.61 -1.59 0.11 -1.13 0.87 120.40 117.13 1whb s VAL 130 Ca 0.29 -0.22 -0.20 0.00 -2.93 0.00 0.00 61.98 58.93 1whb s VAL 130 Cb -0.00 -0.60 -0.03 0.00 -1.53 0.00 0.00 36.38 34.22 1whb s VAL 130 CO 0.17 0.22 1.33 -0.22 -3.33 0.00 0.00 175.10 173.28 1whb s LEU 131 N 0.58 3.69 -0.45 2.54 2.96 -0.82 -1.71 118.68 125.46 1whb s LEU 131 Ca -0.08 2.71 -0.28 0.00 -0.22 0.00 0.00 54.13 56.25 1whb s LEU 131 Cb -0.12 -4.47 0.00 0.00 0.50 0.00 0.00 46.19 42.11 1whb s LEU 131 CO 0.00 -1.85 1.54 -0.70 -1.32 0.00 0.00 176.35 174.02 1whb s GLU 132 N -3.18 3.37 0.00 1.98 2.56 -0.37 -2.95 118.70 120.11 1whb s GLU 132 Ca 0.78 0.89 0.00 0.00 0.00 0.00 0.00 54.97 56.65 1whb s GLU 132 Cb -0.39 -4.12 0.00 0.00 2.00 0.00 0.00 34.13 31.62 1whb s GLU 132 CO 0.44 -1.83 0.00 0.41 -0.56 0.00 0.00 175.26 173.72 1whb n GLY 133 N 5.26 2.99 4.31 -1.50 0.00 -1.26 -4.67 105.19 110.32 1whb n GLY 133 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.13 -1.02 0.34 -0.02 0.00 -1.15 -4.08 105.19 99.13 1whb n GLY 134 Ca 0.00 -1.49 0.02 0.00 0.00 0.00 0.00 46.02 44.54 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 0.85 -0.23 1.61 3.20 0.48 -0.58 116.97 122.31 1whb h TYR 135 Ca 0.00 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.93 1whb h TYR 135 Cb 0.00 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 37.97 1whb h TYR 135 CO 0.00 0.53 0.16 1.49 -1.64 0.00 0.00 178.16 178.70 1whb h GLU 136 N 0.91 0.14 0.01 1.82 4.57 -1.71 -1.74 114.58 118.57 1whb h GLU 136 Ca 0.26 -0.01 -0.29 0.00 -1.18 0.00 0.00 59.36 58.14 1whb h GLU 136 Cb -0.07 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.44 1whb h GLU 136 CO -0.06 0.09 -1.63 -0.91 -1.18 0.00 0.00 179.01 175.32 1whb h ASN 137 N 0.14 0.03 -0.70 1.04 4.21 -1.40 -3.26 115.58 115.65 1whb h ASN 137 Ca 0.10 -0.06 -0.00 0.00 1.21 0.00 0.00 56.30 57.55 1whb h ASN 137 Cb 0.22 -0.01 -0.03 0.00 -1.12 0.00 0.00 38.32 37.38 1whb h ASN 137 CO -0.01 1.05 0.43 -0.25 -1.29 0.00 0.00 177.43 177.36 1whb h TRP 138 N 0.01 0.91 -0.04 1.19 2.91 -0.28 -0.31 115.95 120.33 1whb h TRP 138 Ca -0.26 0.01 -0.11 0.00 1.13 0.00 0.00 58.89 59.66 1whb h TRP 138 Cb 1.99 -0.30 0.01 0.00 -0.51 0.00 0.00 29.16 30.34 1whb h TRP 138 CO 0.01 0.60 -0.40 -0.07 -1.03 0.00 0.00 178.44 177.55 1whb h LEU 139 N 0.97 0.42 -1.79 0.65 3.38 -1.56 0.81 115.31 118.19 1whb h LEU 139 Ca 0.25 -0.70 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 1whb h LEU 139 Cb -0.06 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1whb h LEU 139 CO -0.05 1.06 -0.02 -0.07 0.09 0.00 0.00 178.44 179.45 1whb h LEU 140 N -0.18 0.09 0.00 1.67 3.38 -1.53 -1.55 115.31 117.19 1whb h LEU 140 Ca -0.04 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1whb h LEU 140 Cb 1.08 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 1whb h LEU 140 CO 0.08 0.14 -0.80 0.00 0.09 0.00 0.00 178.44 177.94 1whb n TYR 142 N -4.53 3.49 0.39 0.00 4.01 0.28 -4.89 117.16 115.90 1whb n TYR 142 Ca -0.12 -4.23 0.13 0.00 -0.16 0.00 0.00 57.90 53.52 1whb n TYR 142 Cb 0.40 -0.60 0.52 0.00 -0.31 0.00 0.00 39.34 39.36 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 4.75 0.00 -1.17 -0.72 0.13 -1.28 -3.12 132.00 130.59 1whb h PRO 143 Ca 0.18 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.78 1whb h PRO 143 Cb 0.70 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 31.60 1whb h PRO 143 CO 0.78 0.00 0.68 0.00 -0.23 0.00 0.00 178.00 179.24 1whb n GLN 144 N -2.49 2.31 -1.51 0.86 -0.00 -1.26 -4.10 117.38 111.18 1whb n GLN 144 Ca 0.02 -2.62 0.02 0.00 -0.00 0.00 0.00 57.00 54.42 1whb n GLN 144 Cb 0.28 -2.03 0.01 0.00 -0.00 0.00 0.00 30.24 28.50 1whb n GLN 144 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 1whb n TYR 145 N -0.51 0.05 -3.90 2.61 4.19 -1.18 -5.09 117.16 113.33 1whb n TYR 145 Ca 0.50 -0.60 -0.11 0.00 3.31 0.00 0.00 57.90 61.00 1whb n TYR 145 Cb 0.75 -0.05 -0.12 0.00 0.49 0.00 0.00 39.34 40.41 1whb n TYR 145 CO 0.00 0.00 0.00 0.95 0.91 0.00 0.00 176.86 178.72 1whb s THR 146 N -0.21 0.05 0.45 2.97 -4.23 -1.26 -2.39 115.64 111.02 1whb s THR 146 Ca 0.29 -0.39 0.11 0.00 -1.18 0.00 0.00 61.69 60.52 1whb s THR 146 Cb 0.33 -0.17 0.24 0.00 1.34 0.00 0.00 72.50 74.24 1whb s THR 146 CO -0.14 -0.21 2.06 0.71 -0.54 0.00 0.00 174.62 176.49 1whb h THR 147 N 4.84 1.08 -2.98 3.99 1.35 -1.75 -3.36 112.91 116.09 1whb h THR 147 Ca -0.28 -0.28 -0.58 0.00 -0.55 0.00 0.00 66.41 64.72 1whb h THR 147 Cb 1.21 0.89 -0.40 0.00 -1.73 0.00 0.00 68.15 68.12 1whb h THR 147 CO 0.45 0.10 -0.77 0.21 -0.25 0.00 0.00 175.52 175.26 1whb s ASN 148 N -6.89 3.72 -0.99 5.36 2.47 -1.26 -5.04 114.94 112.32 1whb s ASN 148 Ca -0.06 -1.90 -0.04 0.00 0.42 0.00 0.00 52.86 51.27 1whb s ASN 148 Cb 0.17 -0.77 0.26 0.00 -1.45 0.00 0.00 41.25 39.46 1whb s ASN 148 CO 0.71 -0.37 1.00 0.00 -3.72 0.00 0.00 177.10 174.72 1whb n ALA 149 N 4.48 4.16 -2.21 1.71 0.00 -1.26 -4.54 120.51 122.85 1whb n ALA 149 Ca 0.02 -4.66 -0.03 0.00 0.00 0.00 0.00 53.44 48.76 1whb n ALA 149 Cb 0.39 -2.02 -0.03 0.00 0.00 0.00 0.00 19.45 17.80 1whb n ALA 149 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1whb n LYS 150 N 2.22 0.14 -4.08 0.00 5.02 -1.26 -5.09 118.16 115.11 1whb n LYS 150 Ca 0.24 -1.38 -0.28 0.00 -2.02 0.00 0.00 58.31 54.87 1whb n LYS 150 Cb 0.37 0.29 -0.17 0.00 -0.02 0.00 0.00 35.03 35.50 1whb n LYS 150 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1whb s VAL 151 N -0.11 1.23 -0.12 -0.18 -7.23 -1.26 -4.99 120.40 107.75 1whb s VAL 151 Ca 0.11 -0.44 0.08 0.00 -1.81 0.00 0.00 61.98 59.93 1whb s VAL 151 Cb 0.15 -1.19 -0.13 0.00 0.56 0.00 0.00 36.38 35.77 1whb s VAL 151 CO -0.06 0.40 0.01 -0.24 -0.31 0.00 0.00 175.10 174.90 1whb n SER 152 N 4.68 2.29 0.00 4.85 2.88 -1.26 -5.02 113.62 122.04 1whb n SER 152 Ca -0.16 -0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 1whb n SER 152 Cb 0.50 0.58 0.00 0.00 -0.75 0.00 0.00 64.21 64.55 1whb n SER 152 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1whb n GLY 153 N 2.39 0.04 3.73 0.46 0.00 -1.26 -5.06 105.19 105.48 1whb n GLY 153 Ca -0.20 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 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 4.37 0.26 1.61 0.04 -1.26 -5.04 135.00 134.98 1whb s PRO 154 Ca 0.00 2.04 0.06 0.00 0.04 0.00 0.00 61.00 63.14 1whb s PRO 154 Cb 0.00 -3.22 -0.03 0.00 0.04 0.00 0.00 34.50 31.29 1whb s PRO 154 CO 0.00 -0.30 0.26 -1.12 0.04 0.00 0.00 177.00 175.88 1whb s SER 155 N 0.60 5.75 -0.42 6.66 0.01 -1.26 -5.05 113.70 119.99 1whb s SER 155 Ca 0.59 -0.17 -0.28 0.00 1.31 0.00 0.00 55.95 57.39 1whb s SER 155 Cb -0.36 -1.50 0.00 0.00 0.21 0.00 0.00 66.02 64.37 1whb s SER 155 CO 0.35 -0.08 1.52 -0.44 0.41 0.00 0.00 173.24 175.00 1whb s SER 156 N -3.90 6.16 0.00 2.44 0.01 -1.26 -5.31 113.70 111.84 1whb s SER 156 Ca 0.34 0.83 0.00 0.00 1.31 0.00 0.00 55.95 58.43 1whb s SER 156 Cb -0.08 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.61 1whb s SER 156 CO 0.26 -1.58 0.00 0.61 0.41 0.00 0.00 173.24 172.95