#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 4.65 -0.31 1.61 0.15 -1.26 -5.05 113.70 113.49 1whb s SER 2 Ca 0.00 -1.91 -0.02 0.00 0.70 0.00 0.00 55.95 54.72 1whb s SER 2 Cb 0.00 -1.59 0.10 0.00 -1.71 0.00 0.00 66.02 62.83 1whb s SER 2 CO 0.00 -0.32 0.13 -0.44 1.20 0.00 0.00 173.24 173.80 1whb s SER 3 N 0.98 3.76 -0.07 5.45 0.01 -1.26 -5.11 113.70 117.46 1whb s SER 3 Ca 0.05 -1.61 0.01 0.00 1.31 0.00 0.00 55.95 55.71 1whb s SER 3 Cb -0.19 -0.66 0.02 0.00 0.21 0.00 0.00 66.02 65.40 1whb s SER 3 CO -0.07 -0.41 -0.07 -0.83 0.41 0.00 0.00 173.24 172.27 1whb s GLY 4 N 1.68 0.64 0.00 3.44 0.00 -1.26 -4.97 107.32 106.85 1whb s GLY 4 Ca 0.11 -0.28 0.00 0.00 0.00 0.00 0.00 44.72 44.54 1whb s GLY 4 CO -0.26 0.49 0.00 1.44 0.00 0.00 0.00 173.10 174.77 1whb n SER 5 N 4.28 0.00 -2.54 1.64 7.64 -1.26 -4.70 113.62 118.69 1whb n SER 5 Ca -0.20 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.47 1whb n SER 5 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 1whb n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1whb n SER 6 N 1.56 -5.96 0.00 6.43 2.88 -1.26 -4.34 113.62 112.93 1whb n SER 6 Ca 0.00 -0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1whb n SER 6 Cb 0.00 -4.93 0.00 0.00 -0.75 0.00 0.00 64.21 58.53 1whb n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1whb n GLY 7 N -1.13 0.18 3.82 0.46 0.00 -1.26 -5.15 105.19 102.11 1whb n GLY 7 Ca -0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 1whb n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1whb s LYS 8 N 0.00 3.14 0.55 1.61 2.47 -1.26 -4.88 119.74 121.37 1whb s LYS 8 Ca 0.00 0.97 0.00 0.00 -1.56 0.00 0.00 55.97 55.38 1whb s LYS 8 Cb 0.00 -2.02 0.00 0.00 -1.46 0.00 0.00 37.83 34.35 1whb s LYS 8 CO 0.00 -0.94 0.00 0.00 0.16 0.00 0.00 175.35 174.57 1whb s GLU 10 N -3.80 0.22 0.45 0.00 2.02 -1.26 -5.15 118.70 111.18 1whb s GLU 10 Ca 0.00 0.05 0.07 0.00 0.02 0.00 0.00 54.97 55.11 1whb s GLU 10 Cb 0.00 -1.08 -0.02 0.00 0.10 0.00 0.00 34.13 33.13 1whb s GLU 10 CO 0.00 -0.78 0.27 0.99 0.02 0.00 0.00 175.26 175.77 1whb s THR 11 N 2.31 2.14 -1.02 3.63 2.01 -1.26 -4.80 115.64 118.65 1whb s THR 11 Ca 0.08 -1.58 -0.05 0.00 0.31 0.00 0.00 61.69 60.44 1whb s THR 11 Cb -0.15 -2.72 -0.06 0.00 0.01 0.00 0.00 72.50 69.57 1whb s THR 11 CO -0.19 0.00 0.90 0.29 -0.69 0.00 0.00 174.62 174.93 1whb n LYS 12 N -1.45 -2.16 -2.83 4.92 4.01 -1.26 -4.97 118.16 114.43 1whb n LYS 12 Ca -0.01 0.92 -0.40 0.00 -0.51 0.00 0.00 58.31 58.31 1whb n LYS 12 Cb 0.64 -5.82 -0.06 0.00 -0.51 0.00 0.00 35.03 29.28 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 -4.26 4.75 -0.42 1.97 2.56 -1.26 -5.03 118.70 117.00 1whb s GLU 13 Ca 0.42 1.37 -0.09 0.00 0.00 0.00 0.00 54.97 56.67 1whb s GLU 13 Cb -0.05 -3.28 0.08 0.00 2.00 0.00 0.00 34.13 32.87 1whb s GLU 13 CO 0.74 0.50 0.26 0.15 -0.56 0.00 0.00 175.26 176.36 1whb s LYS 14 N -1.04 2.58 0.00 4.30 1.02 -1.26 -4.56 119.74 120.77 1whb s LYS 14 Ca 0.40 -1.49 0.00 0.00 0.02 0.00 0.00 55.97 54.90 1whb s LYS 14 Cb -0.25 -3.78 0.00 0.00 -0.52 0.00 0.00 37.83 33.28 1whb s LYS 14 CO 0.30 -0.97 0.00 0.41 -0.92 0.00 0.00 175.35 174.17 1whb n GLY 15 N 4.91 3.66 3.43 -3.33 0.00 -1.26 -5.05 105.19 107.54 1whb n GLY 15 Ca -0.10 -0.80 -0.26 0.00 0.00 0.00 0.00 46.02 44.86 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 0.00 2.54 0.16 4.61 0.00 -1.26 -2.37 121.76 125.44 1whb s ALA 16 Ca 0.00 -1.66 0.11 0.00 0.00 0.00 0.00 51.96 50.40 1whb s ALA 16 Cb 0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 1whb s ALA 16 CO 0.00 0.41 -0.25 -1.50 0.00 0.00 0.00 175.76 174.42 1whb s ILE 17 N -1.78 2.25 0.45 0.00 2.07 0.15 -4.68 121.20 119.66 1whb s ILE 17 Ca 0.22 -1.87 -0.07 0.00 -1.41 0.00 0.00 60.65 57.51 1whb s ILE 17 Cb -0.08 -2.02 -0.05 0.00 0.13 0.00 0.00 42.46 40.45 1whb s ILE 17 CO 0.10 -0.02 0.79 0.42 -1.91 0.00 0.00 174.94 174.32 1whb s THR 18 N -1.36 4.86 0.34 4.00 -4.23 -1.26 0.51 115.64 118.49 1whb s THR 18 Ca 0.16 0.39 0.09 0.00 -1.18 0.00 0.00 61.69 61.15 1whb s THR 18 Cb -0.09 -3.81 0.08 0.00 1.34 0.00 0.00 72.50 70.02 1whb s THR 18 CO 0.08 -0.73 1.78 0.00 -0.54 0.00 0.00 174.62 175.21 1whb h ALA 19 N 0.62 1.27 -0.49 3.99 0.00 -1.96 -2.68 119.26 120.01 1whb h ALA 19 Ca -0.47 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.02 1whb h ALA 19 Cb 1.20 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1whb h ALA 19 CO 0.63 0.50 -0.00 -0.22 0.00 0.00 0.00 179.25 180.16 1whb h LYS 20 N 0.16 0.81 -0.19 0.00 1.63 -2.00 -2.11 116.57 114.87 1whb h LYS 20 Ca 0.02 -0.22 -0.16 0.00 -0.85 0.00 0.00 60.65 59.44 1whb h LYS 20 Cb 0.67 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.20 1whb h LYS 20 CO 0.05 0.82 -0.55 0.93 -3.45 0.00 0.00 179.45 177.24 1whb h GLU 21 N 0.76 0.56 -0.66 1.90 5.08 -1.90 -2.96 114.58 117.35 1whb h GLU 21 Ca 0.15 -0.35 -0.09 0.00 -1.00 0.00 0.00 59.36 58.07 1whb h GLU 21 Cb 0.46 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1whb h GLU 21 CO 0.02 0.96 0.07 1.25 -1.00 0.00 0.00 179.01 180.31 1whb h LEU 22 N 0.43 1.07 -0.62 1.33 5.85 -1.22 -1.26 115.31 120.89 1whb h LEU 22 Ca 0.01 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 1whb h LEU 22 Cb 1.10 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 1whb h LEU 22 CO 0.10 1.08 0.31 0.22 -0.34 0.00 0.00 178.44 179.82 1whb h TYR 23 N 1.03 0.88 -0.46 1.25 3.20 -1.34 0.42 116.97 121.95 1whb h TYR 23 Ca 0.19 -0.04 -0.12 0.00 3.14 0.00 0.00 58.73 61.91 1whb h TYR 23 Cb 0.49 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 1whb h TYR 23 CO 0.04 0.66 -0.20 1.15 -1.64 0.00 0.00 178.16 178.17 1whb h THR 24 N 0.85 1.27 -0.33 1.81 2.02 -1.36 -2.26 112.91 114.93 1whb h THR 24 Ca 0.22 -1.35 -0.17 0.00 0.77 0.00 0.00 66.41 65.87 1whb h THR 24 Cb 0.09 1.17 -0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1whb h THR 24 CO -0.03 0.46 -0.47 0.24 0.37 0.00 0.00 175.52 176.10 1whb h MET 25 N 0.78 0.89 0.28 6.66 2.86 -0.97 -1.59 114.93 123.84 1whb h MET 25 Ca 0.10 -0.52 -0.01 0.00 -2.06 0.00 0.00 59.70 57.21 1whb h MET 25 Cb 0.77 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.48 1whb h MET 25 CO 0.06 1.17 -0.14 0.52 1.06 0.00 0.00 176.91 179.58 1whb h MET 26 N 0.69 -0.37 0.00 1.72 2.07 -0.13 -2.41 114.93 116.51 1whb h MET 26 Ca 0.03 0.03 -0.03 0.00 -2.07 0.00 0.00 59.70 57.66 1whb h MET 26 Cb 1.07 0.08 -0.00 0.00 -1.87 0.00 0.00 31.60 30.88 1whb h MET 26 CO 0.11 -0.24 -0.15 1.79 1.07 0.00 0.00 176.91 179.49 1whb h THR 27 N -0.39 0.51 -3.17 2.22 1.35 -1.45 -3.45 112.91 108.52 1whb h THR 27 Ca -0.04 -0.73 -0.49 0.00 -0.55 0.00 0.00 66.41 64.60 1whb h THR 27 Cb 0.30 1.50 0.22 0.00 -1.73 0.00 0.00 68.15 68.44 1whb h THR 27 CO 0.06 0.15 -0.51 -0.67 -0.25 0.00 0.00 175.52 174.30 1whb n ASP 28 N -3.49 -1.74 -0.00 5.36 -0.08 -0.60 -5.00 116.55 111.00 1whb n ASP 28 Ca -0.01 0.12 -0.04 0.00 -1.51 0.00 0.00 54.79 53.35 1whb n ASP 28 Cb 0.31 -1.18 -0.01 0.00 2.34 0.00 0.00 41.12 42.57 1whb n ASP 28 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1whb n LYS 29 N -2.80 0.10 0.10 -0.67 5.02 -1.26 -4.81 118.16 113.84 1whb n LYS 29 Ca 0.05 0.04 -0.13 0.00 -2.02 0.00 0.00 58.31 56.25 1whb n LYS 29 Cb 0.56 -0.67 -0.08 0.00 -0.02 0.00 0.00 35.03 34.82 1whb n LYS 29 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 1whb h ASN 30 N -0.18 -0.17 -3.63 4.39 -1.24 -1.95 -3.40 115.58 109.40 1whb h ASN 30 Ca -0.08 -0.12 -0.56 0.00 0.71 0.00 0.00 56.30 56.25 1whb h ASN 30 Cb 0.74 0.04 -0.07 0.00 0.73 0.00 0.00 38.32 39.76 1whb h ASN 30 CO -0.05 0.02 0.92 -0.63 -1.29 0.00 0.00 177.43 176.40 1whb s ILE 31 N -5.51 4.25 0.82 2.57 1.01 -1.26 -5.01 121.20 118.07 1whb s ILE 31 Ca -0.14 1.31 -0.11 0.00 0.00 0.00 0.00 60.65 61.70 1whb s ILE 31 Cb 0.04 -4.56 0.11 0.00 0.01 0.00 0.00 42.46 38.05 1whb s ILE 31 CO 0.64 -0.91 1.17 -0.44 0.00 0.00 0.00 174.94 175.40 1whb s SER 32 N 2.34 4.23 -0.28 3.58 0.01 -1.26 -4.75 113.70 117.57 1whb s SER 32 Ca 0.48 0.55 -0.27 0.00 1.31 0.00 0.00 55.95 58.03 1whb s SER 32 Cb -0.08 -0.97 0.18 0.00 0.21 0.00 0.00 66.02 65.37 1whb s SER 32 CO 0.29 -2.04 1.36 -0.22 0.41 0.00 0.00 173.24 173.04 1whb s LEU 33 N -5.57 -0.09 0.05 2.44 2.96 -1.26 -3.08 118.68 114.13 1whb s LEU 33 Ca 0.65 0.15 0.06 0.00 -0.22 0.00 0.00 54.13 54.76 1whb s LEU 33 Cb -0.09 1.19 -0.03 0.00 0.50 0.00 0.00 46.19 47.77 1whb s LEU 33 CO 0.49 -0.05 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.67 1whb s ILE 34 N -0.39 1.35 0.07 6.68 1.01 -1.24 -5.01 121.20 123.67 1whb s ILE 34 Ca 0.07 -1.16 0.09 0.00 0.00 0.00 0.00 60.65 59.64 1whb s ILE 34 Cb -0.03 -1.22 -0.03 0.00 0.01 0.00 0.00 42.46 41.19 1whb s ILE 34 CO -0.11 0.03 -0.21 -0.63 0.00 0.00 0.00 174.94 174.01 1whb s ILE 35 N -0.92 2.57 0.00 2.92 1.01 -1.26 -1.49 121.20 124.04 1whb s ILE 35 Ca 0.04 -1.39 0.03 0.00 0.00 0.00 0.00 60.65 59.32 1whb s ILE 35 Cb -0.09 -2.10 -0.01 0.00 0.01 0.00 0.00 42.46 40.28 1whb s ILE 35 CO 0.02 0.25 -0.09 -0.04 0.00 0.00 0.00 174.94 175.08 1whb s MET 36 N -1.65 0.68 -0.66 2.79 -1.94 -1.19 0.99 119.30 118.32 1whb s MET 36 Ca 0.15 -0.38 -0.18 0.00 -1.71 0.00 0.00 55.69 53.56 1whb s MET 36 Cb -0.10 -0.64 0.12 0.00 2.01 0.00 0.00 34.83 36.21 1whb s MET 36 CO 0.06 0.17 0.77 -0.51 -0.01 0.00 0.00 175.02 175.50 1whb s ASP 37 N -0.40 6.30 -1.41 3.03 1.01 -1.05 -1.24 116.67 122.91 1whb s ASP 37 Ca 0.02 -1.64 -0.11 0.00 0.71 0.00 0.00 52.55 51.54 1whb s ASP 37 Cb -0.04 -2.31 -0.06 0.00 1.01 0.00 0.00 42.92 41.52 1whb s ASP 37 CO -0.00 -1.06 2.59 0.00 0.21 0.00 0.00 175.17 176.91 1whb n ALA 38 N 6.15 6.37 -3.31 5.23 0.00 -1.24 -3.61 120.51 130.10 1whb n ALA 38 Ca -0.03 -3.32 -0.05 0.00 0.00 0.00 0.00 53.44 50.05 1whb n ALA 38 Cb 0.44 -3.36 -0.02 0.00 0.00 0.00 0.00 19.45 16.51 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 4.44 0.14 -0.15 0.00 3.00 -1.23 -4.75 116.66 118.11 1whb n ARG 39 Ca 0.65 -0.83 -0.15 0.00 -0.01 0.00 0.00 57.85 57.51 1whb n ARG 39 Cb 0.26 0.73 0.14 0.00 0.00 0.00 0.00 32.46 33.59 1whb n ARG 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1whb n ARG 40 N -0.16 -3.31 -0.01 5.56 1.74 -1.26 -1.43 116.66 117.80 1whb n ARG 40 Ca 0.01 -0.73 -0.11 0.00 -0.77 0.00 0.00 57.85 56.25 1whb n ARG 40 Cb 0.16 -0.92 -0.14 0.00 -1.02 0.00 0.00 32.46 30.54 1whb n ARG 40 CO 0.00 0.00 0.00 1.98 -1.52 0.00 0.00 177.63 178.09 1whb h MET 41 N 0.00 0.05 -0.02 5.56 4.05 -1.94 -3.35 114.93 119.28 1whb h MET 41 Ca -0.19 -0.09 -0.12 0.00 -0.28 0.00 0.00 59.70 59.01 1whb h MET 41 Cb 0.65 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.47 1whb h MET 41 CO 0.12 0.68 -0.56 0.37 0.23 0.00 0.00 176.91 177.75 1whb h GLN 42 N 0.01 0.07 -0.49 0.39 4.15 -1.99 -3.03 115.11 114.23 1whb h GLN 42 Ca -0.28 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.11 1whb h GLN 42 Cb 2.00 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 29.67 1whb h GLN 42 CO 0.09 0.61 0.32 -0.44 -1.93 0.00 0.00 178.83 177.48 1whb h ASP 43 N 0.05 0.54 -0.09 -0.69 3.32 -1.89 -0.50 116.42 117.17 1whb h ASP 43 Ca -0.00 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1whb h ASP 43 Cb 1.00 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.42 1whb h ASP 43 CO 0.08 0.39 0.02 0.22 -1.72 0.00 0.00 179.24 178.23 1whb h TYR 44 N 0.64 0.15 -0.09 4.55 3.20 -1.62 0.81 116.97 124.60 1whb h TYR 44 Ca 0.18 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.05 1whb h TYR 44 Cb -0.06 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.17 1whb h TYR 44 CO -0.05 0.33 0.07 1.96 -1.64 0.00 0.00 178.16 178.83 1whb h GLN 45 N -0.08 0.04 0.00 1.82 1.08 -1.40 -3.23 115.11 113.35 1whb h GLN 45 Ca 0.03 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1whb h GLN 45 Cb 0.26 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 1whb h GLN 45 CO 0.00 0.03 -0.26 0.22 -0.95 0.00 0.00 178.83 177.86 1whb h ASP 46 N 0.04 0.00 -3.57 1.46 3.58 -0.78 -3.48 116.42 113.67 1whb h ASP 46 Ca 0.04 0.00 -0.52 0.00 0.42 0.00 0.00 57.03 56.97 1whb h ASP 46 Cb 0.11 0.00 -0.33 0.00 1.72 0.00 0.00 39.33 40.84 1whb h ASP 46 CO -0.00 0.50 -0.82 -0.44 -2.88 0.00 0.00 179.24 175.59 1whb s SER 47 N -5.05 1.86 -0.13 2.28 0.01 0.28 -4.66 113.70 108.28 1whb s SER 47 Ca -0.08 -0.31 -0.27 0.00 1.31 0.00 0.00 55.95 56.60 1whb s SER 47 Cb 0.01 -0.74 0.07 0.00 0.21 0.00 0.00 66.02 65.56 1whb s SER 47 CO 0.11 0.07 0.66 0.00 0.41 0.00 0.00 173.24 174.49 1whb s ILE 49 N -0.55 3.53 0.46 0.00 1.01 -1.26 -1.01 121.20 123.38 1whb s ILE 49 Ca -0.07 1.40 -0.24 0.00 0.00 0.00 0.00 60.65 61.75 1whb s ILE 49 Cb -0.02 -3.84 -0.07 0.00 0.01 0.00 0.00 42.46 38.54 1whb s ILE 49 CO 0.06 0.23 1.28 -0.76 0.00 0.00 0.00 174.94 175.75 1whb s LEU 50 N -1.90 4.06 -1.54 2.97 1.43 -1.24 -2.82 118.68 119.63 1whb s LEU 50 Ca 0.50 2.59 -0.05 0.00 -1.03 0.00 0.00 54.13 56.13 1whb s LEU 50 Cb -0.29 -4.10 0.01 0.00 0.03 0.00 0.00 46.19 41.84 1whb s LEU 50 CO 0.37 -1.07 0.64 1.41 0.23 0.00 0.00 176.35 177.93 1whb n HIS 51 N -0.37 -2.01 -4.40 0.29 8.25 -1.26 -4.99 115.22 110.73 1whb n HIS 51 Ca 0.07 0.55 -0.22 0.00 -0.26 0.00 0.00 57.72 57.85 1whb n HIS 51 Cb 0.45 -4.52 -0.10 0.00 1.12 0.00 0.00 29.99 26.93 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 -2.75 3.08 0.43 0.41 1.04 -1.13 -4.63 113.70 110.16 1whb s SER 52 Ca 0.32 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.76 1whb s SER 52 Cb -0.14 -0.22 -0.01 0.00 0.10 0.00 0.00 66.02 65.75 1whb s SER 52 CO 0.39 -0.04 0.65 -0.22 0.98 0.00 0.00 173.24 175.01 1whb s LEU 53 N -3.23 3.71 0.17 2.42 2.96 0.28 -4.97 118.68 120.01 1whb s LEU 53 Ca 0.24 0.33 0.09 0.00 -0.22 0.00 0.00 54.13 54.57 1whb s LEU 53 Cb -0.04 -3.21 -0.04 0.00 0.50 0.00 0.00 46.19 43.40 1whb s LEU 53 CO 0.10 -0.63 -0.14 -0.55 -1.32 0.00 0.00 176.35 173.81 1whb s SER 54 N -4.18 4.03 -0.30 3.68 0.15 -1.26 -2.53 113.70 113.28 1whb s SER 54 Ca 0.47 -0.63 -0.10 0.00 0.70 0.00 0.00 55.95 56.39 1whb s SER 54 Cb -0.10 -0.60 0.18 0.00 -1.71 0.00 0.00 66.02 63.79 1whb s SER 54 CO 0.38 0.12 0.94 0.54 1.20 0.00 0.00 173.24 176.42 1whb s VAL 55 N -1.58 -0.50 0.84 4.45 0.11 -1.24 -4.79 120.40 117.71 1whb s VAL 55 Ca 0.23 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 59.17 1whb s VAL 55 Cb -0.09 -0.99 0.10 0.00 -1.53 0.00 0.00 36.38 33.87 1whb s VAL 55 CO 0.13 0.00 1.10 -2.16 -3.33 0.00 0.00 175.10 170.84 1whb s PRO 56 N 2.93 1.68 0.07 1.54 0.04 -1.25 -3.56 135.00 136.44 1whb s PRO 56 Ca 0.05 1.14 0.07 0.00 0.04 0.00 0.00 61.00 62.30 1whb s PRO 56 Cb -0.11 -1.83 -0.22 0.00 0.04 0.00 0.00 34.50 32.37 1whb s PRO 56 CO -0.14 -2.04 1.10 1.49 0.04 0.00 0.00 177.00 177.45 1whb h GLU 57 N -1.42 0.03 -0.19 4.56 4.81 -1.49 -3.29 114.58 117.59 1whb h GLU 57 Ca -0.46 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 58.75 1whb h GLU 57 Cb 1.25 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.64 1whb h GLU 57 CO 0.50 0.89 0.13 1.05 -0.73 0.00 0.00 179.01 180.85 1whb h GLU 58 N 0.01 0.16 -0.00 1.92 4.11 -1.93 -1.17 114.58 117.68 1whb h GLU 58 Ca -0.10 -0.01 -0.18 0.00 0.07 0.00 0.00 59.36 59.15 1whb h GLU 58 Cb 1.85 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 31.05 1whb h GLU 58 CO 0.12 0.11 -0.82 0.00 0.07 0.00 0.00 179.01 178.49 1whb h ALA 59 N 1.89 0.63 -2.67 1.06 0.00 -1.86 -3.44 119.26 114.87 1whb h ALA 59 Ca 0.08 -0.72 -0.60 0.00 0.00 0.00 0.00 54.91 53.66 1whb h ALA 59 Cb 0.11 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1whb h ALA 59 CO -0.01 0.96 -0.21 0.42 0.00 0.00 0.00 179.25 180.41 1whb s ILE 60 N -3.21 5.04 0.14 0.00 1.01 -0.44 -4.35 121.20 119.39 1whb s ILE 60 Ca -0.01 0.75 -0.05 0.00 0.00 0.00 0.00 60.65 61.34 1whb s ILE 60 Cb 0.11 -3.70 -0.02 0.00 0.01 0.00 0.00 42.46 38.86 1whb s ILE 60 CO 0.80 0.50 0.17 -0.44 0.00 0.00 0.00 174.94 175.97 1whb s SER 61 N -1.25 0.18 -0.72 3.58 0.01 -1.26 -4.88 113.70 109.35 1whb s SER 61 Ca 0.26 -1.01 -0.26 0.00 1.31 0.00 0.00 55.95 56.26 1whb s SER 61 Cb -0.16 0.36 -0.03 0.00 0.21 0.00 0.00 66.02 66.40 1whb s SER 61 CO 0.15 -0.80 1.92 -2.16 0.41 0.00 0.00 173.24 172.75 1whb s PRO 62 N -3.99 2.56 0.00 12.44 0.04 -1.26 -3.62 135.00 141.17 1whb s PRO 62 Ca 0.19 0.30 0.00 0.00 0.04 0.00 0.00 61.00 61.53 1whb s PRO 62 Cb 0.05 -4.65 0.00 0.00 0.04 0.00 0.00 34.50 29.94 1whb s PRO 62 CO -0.00 -3.02 0.00 0.41 0.04 0.00 0.00 177.00 174.43 1whb n GLY 63 N 6.16 0.85 3.33 0.56 0.00 -1.26 -5.06 105.19 109.77 1whb n GLY 63 Ca 0.29 -0.79 -0.24 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 0.00 -4.65 1.61 0.24 -1.24 -5.18 118.33 109.11 1whb n VAL 64 Ca 0.00 -2.41 -0.29 0.00 -2.04 0.00 0.00 64.34 59.60 1whb n VAL 64 Cb 0.00 0.95 -0.08 0.00 -1.47 0.00 0.00 33.84 33.24 1whb n VAL 64 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1whb s THR 65 N -3.16 1.06 0.29 3.34 -1.32 -1.26 -4.58 115.64 110.02 1whb s THR 65 Ca 0.26 -2.00 -0.02 0.00 -1.21 0.00 0.00 61.69 58.72 1whb s THR 65 Cb 0.01 -2.35 0.23 0.00 -1.51 0.00 0.00 72.50 68.89 1whb s THR 65 CO 0.18 0.00 1.93 0.00 -2.21 0.00 0.00 174.62 174.52 1whb h ALA 66 N 1.58 1.36 -0.63 11.08 0.00 -1.75 -2.10 119.26 128.81 1whb h ALA 66 Ca -0.41 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1whb h ALA 66 Cb 1.29 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1whb h ALA 66 CO 0.69 0.54 0.41 0.77 0.00 0.00 0.00 179.25 181.65 1whb h SER 67 N 1.03 0.73 0.64 0.00 0.02 -1.94 0.46 113.55 114.49 1whb h SER 67 Ca 0.27 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.16 1whb h SER 67 Cb -0.01 -0.18 0.01 0.00 0.14 0.00 0.00 62.40 62.35 1whb h SER 67 CO -0.05 0.54 -0.31 -0.25 -1.14 0.00 0.00 176.83 175.63 1whb h TRP 68 N 0.86 -0.80 -0.32 3.45 2.91 -1.76 -1.60 115.95 118.68 1whb h TRP 68 Ca 0.23 -0.02 -0.13 0.00 1.13 0.00 0.00 58.89 60.10 1whb h TRP 68 Cb -0.08 0.26 -0.01 0.00 -0.51 0.00 0.00 29.16 28.83 1whb h TRP 68 CO 0.00 -0.50 -0.32 0.82 -1.03 0.00 0.00 178.44 177.41 1whb h ILE 69 N -0.86 1.29 -0.27 2.65 2.04 -1.44 -2.93 117.51 117.98 1whb h ILE 69 Ca -0.09 -1.49 0.08 0.00 1.00 0.00 0.00 64.86 64.36 1whb h ILE 69 Cb 0.66 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 1whb h ILE 69 CO 0.14 0.49 0.26 -0.08 0.00 0.00 0.00 178.15 178.96 1whb h GLU 70 N 0.56 0.00 0.00 2.37 4.81 -0.06 0.99 114.58 123.25 1whb h GLU 70 Ca 0.05 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.11 1whb h GLU 70 Cb 0.90 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.26 1whb h GLU 70 CO 0.08 0.00 -0.81 0.00 -0.73 0.00 0.00 179.01 177.55 1whb h ALA 71 N 1.73 0.51 -3.31 2.92 0.00 -1.10 -3.40 119.26 116.61 1whb h ALA 71 Ca 0.13 -0.74 -0.65 0.00 0.00 0.00 0.00 54.91 53.65 1whb h ALA 71 Cb 0.65 -0.13 -0.40 0.00 0.00 0.00 0.00 17.79 17.91 1whb h ALA 71 CO -0.00 1.01 -0.57 -1.01 0.00 0.00 0.00 179.25 178.68 1whb s HIS 72 N -2.88 3.26 0.19 0.00 3.76 0.34 -5.06 115.29 114.90 1whb s HIS 72 Ca 0.02 -3.11 -0.16 0.00 -0.15 0.00 0.00 55.06 51.65 1whb s HIS 72 Cb 0.10 -2.88 0.02 0.00 1.11 0.00 0.00 32.58 30.92 1whb s HIS 72 CO 0.79 -0.74 0.48 -0.51 -0.85 0.00 0.00 174.74 173.91 1whb s LEU 73 N -0.37 0.24 0.00 0.89 1.43 -1.24 -4.77 118.68 114.85 1whb s LEU 73 Ca 0.18 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 1whb s LEU 73 Cb -0.23 1.97 0.00 0.00 0.03 0.00 0.00 46.19 47.96 1whb s LEU 73 CO -0.02 -1.03 0.00 -2.65 0.23 0.00 0.00 176.35 172.88 1whb n PRO 74 N -0.32 0.95 -0.05 1.29 -0.02 -1.26 -4.88 135.00 130.71 1whb n PRO 74 Ca -0.09 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.35 1whb n PRO 74 Cb 0.62 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 34.09 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 -0.34 0.00 0.78 2.55 5.19 -2.01 -3.37 116.42 119.22 1whb h ASP 75 Ca 0.00 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.27 1whb h ASP 75 Cb 0.00 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 1whb h ASP 75 CO 0.00 0.53 -0.67 -0.78 -3.12 0.00 0.00 179.24 175.20 1whb h ASP 76 N -0.71 0.00 -0.15 6.45 3.58 -2.03 -3.12 116.42 120.43 1whb h ASP 76 Ca 0.00 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.49 1whb h ASP 76 Cb 0.35 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 1whb h ASP 76 CO 0.00 0.67 0.11 -1.28 -2.88 0.00 0.00 179.24 175.86 1whb h SER 77 N 0.00 0.00 0.09 2.28 0.87 -1.92 -0.71 113.55 114.16 1whb h SER 77 Ca -0.01 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.51 1whb h SER 77 Cb 1.24 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.19 1whb h SER 77 CO 0.09 0.00 -0.14 0.11 -0.53 0.00 0.00 176.83 176.36 1whb h LYS 78 N 0.00 0.11 0.46 2.24 1.79 -1.70 -1.56 116.57 117.92 1whb h LYS 78 Ca 0.07 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.50 1whb h LYS 78 Cb 0.30 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1whb h LYS 78 CO -0.00 0.26 -0.22 -0.44 -1.08 0.00 0.00 179.45 177.96 1whb h ASP 79 N 0.11 -0.53 -0.24 0.86 3.32 -1.29 -2.65 116.42 116.00 1whb h ASP 79 Ca 0.02 0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.14 1whb h ASP 79 Cb 0.32 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 1whb h ASP 79 CO 0.02 -0.34 0.17 0.74 -1.72 0.00 0.00 179.24 178.11 1whb h THR 80 N -0.71 0.94 -0.63 0.35 2.02 -1.61 -1.16 112.91 112.12 1whb h THR 80 Ca -0.06 -0.04 0.01 0.00 0.77 0.00 0.00 66.41 67.08 1whb h THR 80 Cb 0.48 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 1whb h THR 80 CO 0.10 0.02 0.42 -0.25 0.37 0.00 0.00 175.52 176.18 1whb h TRP 81 N 0.12 0.79 0.00 3.16 2.91 -1.20 -1.60 115.95 120.13 1whb h TRP 81 Ca 0.11 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.13 1whb h TRP 81 Cb 0.28 -0.27 -0.00 0.00 -0.51 0.00 0.00 29.16 28.66 1whb h TRP 81 CO -0.00 0.50 -0.46 0.87 -1.03 0.00 0.00 178.44 178.32 1whb h LYS 82 N 0.86 0.00 -0.03 2.65 1.57 -0.86 -3.23 116.57 117.53 1whb h LYS 82 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1whb h LYS 82 Cb -0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.21 1whb h LYS 82 CO -0.05 0.07 0.00 1.63 -0.57 0.00 0.00 179.45 180.53 1whb n LYS 83 N -2.96 1.19 0.26 3.15 5.02 -0.63 -3.83 118.16 120.36 1whb n LYS 83 Ca 0.02 -0.29 0.15 0.00 -2.02 0.00 0.00 58.31 56.17 1whb n LYS 83 Cb 0.57 -1.40 0.86 0.00 -0.02 0.00 0.00 35.03 35.04 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 0.64 0.00 -0.30 1.97 -0.00 -1.52 0.61 114.38 115.79 1whb h ARG 84 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1whb h ARG 84 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.11 1whb h ARG 84 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 179.97 180.38 1whb n GLY 85 N -1.38 0.38 0.06 0.08 0.00 -1.25 -3.76 105.19 99.32 1whb n GLY 85 Ca -0.01 -0.32 -0.07 0.00 0.00 0.00 0.00 46.02 45.63 1whb n GLY 85 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1whb n ASN 86 N 0.35 2.06 -3.44 1.61 2.85 0.20 -4.96 115.26 113.93 1whb n ASN 86 Ca 0.10 -0.01 -0.22 0.00 -0.11 0.00 0.00 54.58 54.33 1whb n ASN 86 Cb 0.25 0.67 0.16 0.00 1.24 0.00 0.00 39.78 42.09 1whb n ASN 86 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 1whb n VAL 87 N -2.52 0.00 0.00 3.44 0.24 -1.20 -5.05 118.33 113.23 1whb n VAL 87 Ca -0.21 -0.74 0.00 0.00 -2.04 0.00 0.00 64.34 61.35 1whb n VAL 87 Cb 0.89 -1.62 0.00 0.00 -1.47 0.00 0.00 33.84 31.64 1whb n VAL 87 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1whb n GLU 88 N -3.15 0.00 -2.11 7.34 1.02 -1.26 -4.74 120.64 117.74 1whb n GLU 88 Ca 0.13 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.99 1whb n GLU 88 Cb 0.44 -0.22 0.06 0.00 -0.02 0.00 0.00 31.44 31.70 1whb n GLU 88 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1whb s TYR 89 N -0.65 3.04 -0.17 -0.32 1.51 -1.18 -4.03 117.35 115.55 1whb s TYR 89 Ca 0.00 0.64 -0.12 0.00 -1.01 0.00 0.00 57.07 56.58 1whb s TYR 89 Cb 0.00 -3.18 0.05 0.00 -0.11 0.00 0.00 41.96 38.72 1whb s TYR 89 CO 0.00 -1.38 0.43 0.08 -1.11 0.00 0.00 175.55 173.58 1whb s VAL 90 N -3.31 -0.01 0.08 0.71 1.01 -1.26 -3.72 120.40 113.90 1whb s VAL 90 Ca 0.59 0.04 0.06 0.00 0.00 0.00 0.00 61.98 62.68 1whb s VAL 90 Cb -0.11 -0.63 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 1whb s VAL 90 CO 0.47 0.02 -0.17 -0.69 0.00 0.00 0.00 175.10 174.73 1whb s VAL 91 N 0.82 1.37 0.44 2.92 1.01 -0.55 -2.04 120.40 124.37 1whb s VAL 91 Ca -0.05 -1.37 0.06 0.00 0.00 0.00 0.00 61.98 60.63 1whb s VAL 91 Cb -0.06 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 1whb s VAL 91 CO -0.06 -0.12 0.17 -0.76 0.00 0.00 0.00 175.10 174.32 1whb s LEU 92 N -1.73 2.94 0.36 3.92 1.43 0.12 -3.15 118.68 122.57 1whb s LEU 92 Ca 0.02 -1.20 0.03 0.00 -1.03 0.00 0.00 54.13 51.95 1whb s LEU 92 Cb -0.10 -1.26 -0.04 0.00 0.03 0.00 0.00 46.19 44.82 1whb s LEU 92 CO 0.03 -0.65 0.10 -0.76 0.23 0.00 0.00 176.35 175.30 1whb s LEU 93 N -3.93 2.01 -0.04 1.79 1.43 -0.37 -2.27 118.68 117.30 1whb s LEU 93 Ca 0.35 -1.53 -0.30 0.00 -1.03 0.00 0.00 54.13 51.62 1whb s LEU 93 Cb 0.03 -0.19 0.11 0.00 0.03 0.00 0.00 46.19 46.18 1whb s LEU 93 CO 0.19 -0.79 1.32 1.51 0.23 0.00 0.00 176.35 178.82 1whb s ASP 94 N -3.52 -0.02 -0.23 2.29 1.47 -1.26 -3.67 116.67 111.72 1whb s ASP 94 Ca 0.30 -0.13 -0.17 0.00 1.18 0.00 0.00 52.55 53.73 1whb s ASP 94 Cb 0.05 0.11 -0.14 0.00 -0.34 0.00 0.00 42.92 42.61 1whb s ASP 94 CO 0.15 -0.22 -0.11 0.79 0.68 0.00 0.00 175.17 176.45 1whb n TRP 95 N -0.71 0.48 -3.03 2.11 5.03 -1.26 0.10 117.44 120.17 1whb n TRP 95 Ca -0.02 0.21 -0.15 0.00 3.03 0.00 0.00 57.50 60.56 1whb n TRP 95 Cb 0.61 -0.99 -0.03 0.00 -1.03 0.00 0.00 31.31 29.87 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 -4.37 -2.35 -3.59 -5.99 3.72 -1.26 -4.28 117.46 99.33 1whb n PHE 96 Ca -0.39 -2.35 -0.05 0.00 -0.05 0.00 0.00 57.45 54.60 1whb n PHE 96 Cb 0.73 0.85 -0.03 0.00 -0.94 0.00 0.00 39.48 40.10 1whb n PHE 96 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1whb s SER 97 N -0.03 -0.17 0.29 4.37 1.04 -1.26 -5.12 113.70 112.82 1whb s SER 97 Ca 0.32 0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.83 1whb s SER 97 Cb 0.07 0.17 -0.02 0.00 0.10 0.00 0.00 66.02 66.33 1whb s SER 97 CO -0.14 -0.24 0.33 -0.44 0.98 0.00 0.00 173.24 173.73 1whb s SER 98 N -1.78 0.89 0.54 7.02 0.01 -1.26 -4.22 113.70 114.91 1whb s SER 98 Ca 0.07 -1.50 0.25 0.00 1.31 0.00 0.00 55.95 56.08 1whb s SER 98 Cb -0.01 0.55 1.43 0.00 0.21 0.00 0.00 66.02 68.20 1whb s SER 98 CO -0.05 -1.09 2.02 0.00 0.41 0.00 0.00 173.24 174.53 1whb h ALA 99 N 2.26 2.33 0.00 1.44 0.00 -1.84 0.14 119.26 123.59 1whb h ALA 99 Ca -0.29 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.46 1whb h ALA 99 Cb 1.24 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1whb h ALA 99 CO 0.41 -0.55 -0.86 1.57 0.00 0.00 0.00 179.25 179.82 1whb h LYS 100 N 0.00 0.00 -0.68 0.00 2.10 -1.95 -3.26 116.57 112.78 1whb h LYS 100 Ca 0.20 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.85 1whb h LYS 100 Cb 0.86 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.19 1whb h LYS 100 CO -0.00 0.52 0.01 -3.47 -2.00 0.00 0.00 179.45 174.50 1whb n ASP 101 N -3.15 4.70 -4.78 7.07 2.03 0.43 -4.95 116.55 117.91 1whb n ASP 101 Ca -0.02 -2.74 -0.37 0.00 0.52 0.00 0.00 54.79 52.19 1whb n ASP 101 Cb 0.80 -0.65 -0.06 0.00 -0.72 0.00 0.00 41.12 40.49 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 -2.16 4.31 0.30 -2.67 1.43 -0.87 -4.64 118.68 114.38 1whb s LEU 102 Ca 0.43 1.82 0.03 0.00 -1.03 0.00 0.00 54.13 55.37 1whb s LEU 102 Cb 0.33 -4.05 -0.06 0.00 0.03 0.00 0.00 46.19 42.45 1whb s LEU 102 CO 0.12 -0.09 0.08 -1.10 0.23 0.00 0.00 176.35 175.60 1whb s GLN 103 N -2.13 1.56 -1.15 1.70 -0.21 -1.26 -5.04 119.66 113.12 1whb s GLN 103 Ca 0.51 -1.86 -0.15 0.00 0.02 0.00 0.00 55.36 53.87 1whb s GLN 103 Cb -0.18 -0.57 -0.06 0.00 1.00 0.00 0.00 33.01 33.20 1whb s GLN 103 CO 0.23 -0.25 2.19 -0.89 -2.12 0.00 0.00 175.29 174.44 1whb n ILE 104 N -0.60 2.81 0.00 1.08 2.08 -1.26 -3.32 119.36 120.15 1whb n ILE 104 Ca -0.01 -2.22 0.00 0.00 0.56 0.00 0.00 62.75 61.07 1whb n ILE 104 Cb 0.66 -2.44 0.00 0.00 -0.75 0.00 0.00 39.64 37.11 1whb n ILE 104 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1whb n GLY 105 N 4.16 0.00 3.69 7.39 0.00 -1.26 -5.08 105.19 114.09 1whb n GLY 105 Ca 0.53 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.30 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 0.00 2.44 0.27 2.61 -4.23 -1.21 -4.90 115.64 110.61 1whb s THR 106 Ca 0.00 -1.83 0.10 0.00 -1.18 0.00 0.00 61.69 58.78 1whb s THR 106 Cb 0.00 -2.93 -0.03 0.00 1.34 0.00 0.00 72.50 70.88 1whb s THR 106 CO 0.00 -0.08 1.60 0.74 -0.54 0.00 0.00 174.62 176.33 1whb h THR 107 N 1.61 1.45 0.13 3.99 2.02 -1.94 -2.60 112.91 117.58 1whb h THR 107 Ca -0.43 -2.15 -0.22 0.00 0.77 0.00 0.00 66.41 64.38 1whb h THR 107 Cb 1.25 2.16 0.02 0.00 -1.74 0.00 0.00 68.15 69.84 1whb h THR 107 CO 0.70 0.62 -0.94 -0.07 0.37 0.00 0.00 175.52 176.20 1whb h LEU 108 N 0.01 0.59 0.66 2.58 3.38 -1.93 -2.70 115.31 117.91 1whb h LEU 108 Ca -0.01 -0.90 -0.03 0.00 0.09 0.00 0.00 57.88 57.03 1whb h LEU 108 Cb 1.12 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.68 1whb h LEU 108 CO 0.08 1.44 -0.32 0.03 0.09 0.00 0.00 178.44 179.77 1whb h ARG 109 N -0.17 -0.86 -0.84 1.13 2.47 -1.86 0.85 114.38 115.10 1whb h ARG 109 Ca -0.16 0.06 0.03 0.00 -1.26 0.00 0.00 59.98 58.66 1whb h ARG 109 Cb 1.71 0.20 -0.05 0.00 -1.65 0.00 0.00 29.97 30.17 1whb h ARG 109 CO 0.18 -0.57 0.54 0.66 0.56 0.00 0.00 179.97 181.34 1whb h SER 110 N -0.91 0.90 -0.28 7.04 4.64 -1.61 0.17 113.55 123.50 1whb h SER 110 Ca -0.09 -0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.10 1whb h SER 110 Cb 0.69 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1whb h SER 110 CO 0.15 0.62 -0.30 0.25 -0.87 0.00 0.00 176.83 176.68 1whb h LEU 111 N 1.05 0.74 -1.06 5.97 5.85 -1.33 0.18 115.31 126.72 1whb h LEU 111 Ca 0.34 -0.48 -0.08 0.00 0.84 0.00 0.00 57.88 58.50 1whb h LEU 111 Cb 0.01 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 1whb h LEU 111 CO -0.12 1.07 -0.15 0.50 -0.34 0.00 0.00 178.44 179.40 1whb h LYS 112 N 0.42 0.50 0.00 1.25 3.11 0.11 -2.60 116.57 119.36 1whb h LYS 112 Ca 0.04 -0.15 0.00 0.00 -2.81 0.00 0.00 60.65 57.73 1whb h LYS 112 Cb 0.87 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 32.05 1whb h LYS 112 CO 0.07 0.64 -0.58 -0.44 -2.81 0.00 0.00 179.45 176.33 1whb h ASP 113 N 0.45 0.00 -0.39 4.20 3.32 -0.60 -3.30 116.42 120.10 1whb h ASP 113 Ca 0.08 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1whb h ASP 113 Cb 0.53 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 1whb h ASP 113 CO 0.03 0.04 0.00 0.00 -1.72 0.00 0.00 179.24 177.60 1whb n ALA 114 N -2.00 3.46 0.00 3.45 0.00 0.63 -0.50 120.51 125.55 1whb n ALA 114 Ca 0.02 -1.31 0.00 0.00 0.00 0.00 0.00 53.44 52.16 1whb n ALA 114 Cb 0.49 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 0.41 1.61 -0.07 0.00 4.77 -1.17 -3.50 117.00 119.06 1whb n LEU 115 Ca 0.19 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 56.05 1whb n LEU 115 Cb 0.90 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.95 1whb n LEU 115 CO 0.22 0.24 -0.77 0.33 -1.33 0.00 0.00 177.39 176.08 1whb n PHE 116 N -2.51 0.00 0.17 -1.77 -0.00 -1.25 -4.72 117.46 107.38 1whb n PHE 116 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.45 57.38 1whb n PHE 116 Cb 0.40 -0.48 -0.04 0.00 -0.00 0.00 0.00 39.48 39.36 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 -0.66 -0.44 -6.31 -4.13 3.64 -1.77 -3.37 116.57 103.53 1whb h LYS 117 Ca -0.22 0.03 -0.54 0.00 -1.27 0.00 0.00 60.65 58.65 1whb h LYS 117 Cb 1.01 0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 32.85 1whb h LYS 117 CO -0.13 -0.30 1.12 -1.58 -2.27 0.00 0.00 179.45 176.29 1whb s TRP 118 N -4.09 2.26 0.04 1.91 0.52 0.34 -4.96 118.94 114.96 1whb s TRP 118 Ca -0.07 -0.06 -0.01 0.00 0.02 0.00 0.00 56.10 55.98 1whb s TRP 118 Cb 0.01 -4.59 -0.03 0.00 -1.15 0.00 0.00 33.47 27.70 1whb s TRP 118 CO 0.22 -2.08 -0.02 -1.21 0.02 0.00 0.00 176.95 173.88 1whb s GLU 119 N 5.77 0.53 0.00 4.98 0.41 -1.26 -4.25 118.70 124.89 1whb s GLU 119 Ca 0.39 -1.03 0.00 0.00 -0.41 0.00 0.00 54.97 53.92 1whb s GLU 119 Cb -0.08 0.19 0.00 0.00 -1.78 0.00 0.00 34.13 32.46 1whb s GLU 119 CO 0.13 -0.10 0.00 0.45 -0.49 0.00 0.00 175.26 175.25 1whb n SER 120 N 0.54 1.50 -1.57 -0.19 2.88 -1.26 -4.91 113.62 110.60 1whb n SER 120 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 1whb n SER 120 Cb 0.59 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.06 1whb n SER 120 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1whb n LYS 121 N -2.53 0.26 -3.75 -1.46 2.85 -1.26 -5.09 118.16 107.18 1whb n LYS 121 Ca 0.00 -1.87 -0.13 0.00 -1.05 0.00 0.00 58.31 55.27 1whb n LYS 121 Cb 0.36 -0.02 -0.11 0.00 -0.65 0.00 0.00 35.03 34.60 1whb n LYS 121 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1whb s THR 122 N -0.41 -0.01 0.04 0.58 2.01 -1.26 -5.16 115.64 111.42 1whb s THR 122 Ca 0.23 0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.28 1whb s THR 122 Cb 0.28 -0.45 -0.02 0.00 0.01 0.00 0.00 72.50 72.32 1whb s THR 122 CO -0.11 0.01 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.07 1whb s VAL 123 N 0.44 0.52 0.21 3.82 1.01 -1.26 -4.79 120.40 120.34 1whb s VAL 123 Ca -0.02 -1.00 0.08 0.00 0.00 0.00 0.00 61.98 61.04 1whb s VAL 123 Cb -0.04 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 1whb s VAL 123 CO -0.02 -0.34 -0.02 -0.76 0.00 0.00 0.00 175.10 173.96 1whb s LEU 124 N -1.45 3.22 0.18 3.92 1.43 -1.26 -4.78 118.68 119.94 1whb s LEU 124 Ca -0.09 -0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 52.39 1whb s LEU 124 Cb -0.09 -1.83 0.09 0.00 0.03 0.00 0.00 46.19 44.38 1whb s LEU 124 CO 0.00 0.06 1.73 0.03 0.23 0.00 0.00 176.35 178.41 1whb h ARG 125 N 2.45 0.94 -4.42 1.70 2.47 -1.85 -3.46 114.38 112.21 1whb h ARG 125 Ca -0.46 -0.17 -0.20 0.00 -1.26 0.00 0.00 59.98 57.88 1whb h ARG 125 Cb 1.22 -0.15 -0.14 0.00 -1.65 0.00 0.00 29.97 29.25 1whb h ARG 125 CO 0.58 0.80 -0.55 0.54 0.56 0.00 0.00 179.97 181.90 1whb s ASN 126 N -6.14 0.14 0.12 7.04 2.20 -1.26 -5.11 114.94 111.92 1whb s ASN 126 Ca -0.13 -1.28 -0.30 0.00 -0.94 0.00 0.00 52.86 50.21 1whb s ASN 126 Cb 0.13 0.40 -0.07 0.00 -2.00 0.00 0.00 41.25 39.71 1whb s ASN 126 CO 0.80 -0.87 1.19 -1.61 -2.94 0.00 0.00 177.10 173.68 1whb s GLU 127 N -4.12 4.47 -0.12 3.55 2.02 -1.26 -4.86 118.70 118.38 1whb s GLU 127 Ca 0.34 1.80 -0.35 0.00 0.02 0.00 0.00 54.97 56.78 1whb s GLU 127 Cb 0.06 -3.30 -0.12 0.00 0.10 0.00 0.00 34.13 30.87 1whb s GLU 127 CO 0.10 -0.16 1.88 -2.30 0.02 0.00 0.00 175.26 174.80 1whb n PRO 128 N 3.25 2.04 -3.68 0.39 -0.02 -1.26 -4.86 135.00 130.86 1whb n PRO 128 Ca 0.07 0.75 -0.27 0.00 -2.02 0.00 0.00 63.50 62.02 1whb n PRO 128 Cb 0.46 -2.59 -0.03 0.00 -0.02 0.00 0.00 33.50 31.31 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 4.17 4.22 -0.14 2.45 1.43 -0.86 -4.92 118.68 125.03 1whb s LEU 129 Ca 0.94 0.41 -0.05 0.00 -1.03 0.00 0.00 54.13 54.40 1whb s LEU 129 Cb -0.73 -3.18 -0.04 0.00 0.03 0.00 0.00 46.19 42.27 1whb s LEU 129 CO 0.53 -0.05 0.04 0.54 0.23 0.00 0.00 176.35 177.65 1whb s VAL 130 N -1.87 4.66 0.66 -1.59 0.11 -1.00 0.15 120.40 121.52 1whb s VAL 130 Ca 0.39 -0.10 -0.18 0.00 -2.93 0.00 0.00 61.98 59.16 1whb s VAL 130 Cb -0.11 -3.04 -0.01 0.00 -1.53 0.00 0.00 36.38 31.69 1whb s VAL 130 CO 0.29 0.54 1.30 -0.11 -3.33 0.00 0.00 175.10 173.78 1whb n LEU 131 N 2.82 6.04 -4.56 2.54 7.94 -0.96 0.34 117.00 131.16 1whb n LEU 131 Ca -0.18 0.82 -0.32 0.00 -1.11 0.00 0.00 56.01 55.22 1whb n LEU 131 Cb 0.53 -1.56 -0.04 0.00 0.53 0.00 0.00 43.42 42.88 1whb n LEU 131 CO 0.32 -1.01 1.47 -0.70 -1.11 0.00 0.00 177.39 176.36 1whb s GLU 132 N -3.41 2.58 0.00 1.96 2.12 0.18 -3.02 118.70 119.12 1whb s GLU 132 Ca 0.83 0.12 0.00 0.00 0.36 0.00 0.00 54.97 56.28 1whb s GLU 132 Cb -0.38 -4.75 0.00 0.00 0.26 0.00 0.00 34.13 29.26 1whb s GLU 132 CO 0.40 -3.09 0.00 0.41 -0.54 0.00 0.00 175.26 172.45 1whb n GLY 133 N 6.33 2.88 1.41 -1.50 0.00 -1.26 -4.67 105.19 108.37 1whb n GLY 133 Ca 0.31 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.35 0.37 -0.02 0.00 -1.17 -4.14 105.19 99.88 1whb n GLY 134 Ca 0.00 -1.71 -0.02 0.00 0.00 0.00 0.00 46.02 44.30 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 1.16 -0.15 1.61 5.03 0.40 -0.48 116.97 124.54 1whb h TYR 135 Ca 0.00 0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.33 1whb h TYR 135 Cb 0.00 -0.39 -0.01 0.00 1.55 0.00 0.00 36.73 37.88 1whb h TYR 135 CO 0.00 0.75 0.10 1.49 -1.32 0.00 0.00 178.16 179.18 1whb h GLU 136 N 1.24 0.17 0.03 1.82 4.57 -1.74 -1.86 114.58 118.81 1whb h GLU 136 Ca 0.33 -0.01 -0.26 0.00 -1.18 0.00 0.00 59.36 58.24 1whb h GLU 136 Cb -0.11 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.41 1whb h GLU 136 CO -0.07 0.12 -1.41 -0.91 -1.18 0.00 0.00 179.01 175.56 1whb h ASN 137 N 0.18 0.09 -0.87 1.04 4.21 -1.48 -3.32 115.58 115.42 1whb h ASN 137 Ca 0.06 -0.13 0.00 0.00 1.21 0.00 0.00 56.30 57.44 1whb h ASN 137 Cb 0.01 -0.03 -0.04 0.00 -1.12 0.00 0.00 38.32 37.14 1whb h ASN 137 CO -0.01 1.11 0.55 -0.25 -1.29 0.00 0.00 177.43 177.54 1whb h TRP 138 N 0.02 1.13 -0.08 1.19 2.91 -0.31 -1.10 115.95 119.70 1whb h TRP 138 Ca -0.17 0.01 -0.08 0.00 1.13 0.00 0.00 58.89 59.78 1whb h TRP 138 Cb 1.92 -0.38 -0.01 0.00 -0.51 0.00 0.00 29.16 30.18 1whb h TRP 138 CO 0.01 0.73 -0.31 -0.07 -1.03 0.00 0.00 178.44 177.78 1whb h LEU 139 N 1.20 0.15 -0.33 0.65 3.38 -1.57 0.64 115.31 119.43 1whb h LEU 139 Ca 0.32 -0.05 -0.18 0.00 0.09 0.00 0.00 57.88 58.06 1whb h LEU 139 Cb -0.09 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1whb h LEU 139 CO -0.06 0.46 -0.84 -0.07 0.09 0.00 0.00 178.44 178.01 1whb h LEU 140 N 0.13 0.11 0.03 1.67 3.38 -1.42 -2.59 115.31 116.63 1whb h LEU 140 Ca 0.02 -0.09 -0.20 0.00 0.09 0.00 0.00 57.88 57.70 1whb h LEU 140 Cb 0.62 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1whb h LEU 140 CO 0.04 0.90 -1.06 0.00 0.09 0.00 0.00 178.44 178.42 1whb s TYR 142 N -2.37 0.94 0.18 0.00 2.02 0.22 -4.97 117.35 113.37 1whb s TYR 142 Ca -0.24 -2.09 0.25 0.00 -0.37 0.00 0.00 57.07 54.62 1whb s TYR 142 Cb 0.04 -0.89 1.03 0.00 -0.40 0.00 0.00 41.96 41.73 1whb s TYR 142 CO 0.66 -0.83 1.87 -1.00 -1.57 0.00 0.00 175.55 174.68 1whb h PRO 143 N 6.05 0.00 -1.30 -1.71 0.13 -1.57 -3.11 132.00 130.48 1whb h PRO 143 Ca 0.20 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.77 1whb h PRO 143 Cb 0.93 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 31.83 1whb h PRO 143 CO 0.33 0.20 0.72 0.00 -0.23 0.00 0.00 178.00 179.02 1whb n GLN 144 N -3.40 2.39 -1.71 0.86 10.64 -1.26 -4.14 117.38 120.76 1whb n GLN 144 Ca -0.00 -2.70 0.01 0.00 -1.83 0.00 0.00 57.00 52.47 1whb n GLN 144 Cb 0.39 -2.06 0.01 0.00 -0.86 0.00 0.00 30.24 27.72 1whb n GLN 144 CO 0.00 0.00 0.00 0.98 -1.83 0.00 0.00 177.06 176.21 1whb n TYR 145 N -0.38 0.08 -4.43 2.61 9.36 -1.18 -5.11 117.16 118.11 1whb n TYR 145 Ca 0.51 -0.87 -0.21 0.00 3.32 0.00 0.00 57.90 60.65 1whb n TYR 145 Cb 0.59 0.09 -0.10 0.00 -0.63 0.00 0.00 39.34 39.29 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 -0.65 1.02 0.10 2.97 -4.23 -1.26 -3.69 115.64 109.89 1whb s THR 146 Ca 0.24 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.72 1whb s THR 146 Cb 0.30 -2.72 -0.24 0.00 1.34 0.00 0.00 72.50 71.18 1whb s THR 146 CO -0.11 0.00 1.22 0.71 -0.54 0.00 0.00 174.62 175.90 1whb h THR 147 N 2.13 1.49 0.00 3.99 1.35 -1.37 -3.43 112.91 117.07 1whb h THR 147 Ca -0.40 -2.90 0.00 0.00 -0.55 0.00 0.00 66.41 62.57 1whb h THR 147 Cb 1.25 2.76 0.00 0.00 -1.73 0.00 0.00 68.15 70.43 1whb h THR 147 CO 0.67 0.85 -0.13 -3.20 -0.25 0.00 0.00 175.52 173.46 1whb n ASN 148 N -3.58 0.56 -2.49 5.36 5.15 -1.26 -4.98 115.26 114.02 1whb n ASN 148 Ca -0.07 0.08 -0.20 0.00 -0.60 0.00 0.00 54.58 53.79 1whb n ASN 148 Cb 0.95 -0.28 0.01 0.00 -0.53 0.00 0.00 39.78 39.93 1whb n ASN 148 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1whb n ALA 149 N -3.03 -0.71 -2.40 5.20 0.00 -1.26 -4.91 120.51 113.40 1whb n ALA 149 Ca -0.02 0.21 -0.24 0.00 0.00 0.00 0.00 53.44 53.39 1whb n ALA 149 Cb 0.07 -2.75 0.01 0.00 0.00 0.00 0.00 19.45 16.78 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 -3.27 3.25 -4.31 0.00 5.02 -1.26 -5.05 118.16 112.53 1whb n LYS 150 Ca -0.19 -4.30 -0.16 0.00 -2.02 0.00 0.00 58.31 51.64 1whb n LYS 150 Cb 0.65 -2.16 -0.10 0.00 -0.02 0.00 0.00 35.03 33.40 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 -5.08 0.86 -0.04 -0.18 -7.23 -1.26 -5.07 120.40 102.39 1whb s VAL 151 Ca 0.46 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.63 1whb s VAL 151 Cb 0.40 -2.38 -0.03 0.00 0.56 0.00 0.00 36.38 34.94 1whb s VAL 151 CO -0.11 -0.27 -0.04 -1.54 -0.31 0.00 0.00 175.10 172.83 1whb n SER 152 N -0.40 3.60 0.00 4.85 3.41 -1.26 -5.09 113.62 118.73 1whb n SER 152 Ca -0.04 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 1whb n SER 152 Cb 0.64 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 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 3.29 2.87 3.77 5.00 0.00 -1.26 -5.10 105.19 113.77 1whb n GLY 153 Ca -0.07 -0.54 -0.39 0.00 0.00 0.00 0.00 46.02 45.02 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 4.09 -0.33 1.61 0.04 -1.26 -4.96 135.00 134.19 1whb s PRO 154 Ca 0.00 1.88 0.07 0.00 0.04 0.00 0.00 61.00 62.99 1whb s PRO 154 Cb 0.00 -2.73 0.51 0.00 0.04 0.00 0.00 34.50 32.33 1whb s PRO 154 CO 0.00 -0.30 1.52 -1.13 0.04 0.00 0.00 177.00 177.13 1whb n SER 155 N 0.17 3.13 -4.34 6.66 3.41 -1.26 -4.93 113.62 116.46 1whb n SER 155 Ca 0.04 -3.78 -0.45 0.00 -0.26 0.00 0.00 58.87 54.41 1whb n SER 155 Cb 0.46 -0.65 -0.04 0.00 -0.26 0.00 0.00 64.21 63.71 1whb n SER 155 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1whb s SER 156 N -2.49 6.27 0.00 4.04 0.15 -1.26 -5.29 113.70 115.13 1whb s SER 156 Ca 0.48 -1.76 0.00 0.00 0.70 0.00 0.00 55.95 55.37 1whb s SER 156 Cb 0.42 -2.26 0.00 0.00 -1.71 0.00 0.00 66.02 62.48 1whb s SER 156 CO 0.01 -0.94 0.00 0.61 1.20 0.00 0.00 173.24 174.12