#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2whh s GLN 2 N 0.00 2.77 -0.09 0.54 0.74 -1.26 -1.07 119.66 121.30 2whh s GLN 2 Ca 0.00 -0.78 -0.05 0.00 0.05 0.00 0.00 55.36 54.58 2whh s GLN 2 Cb 0.00 -2.64 0.04 0.00 1.10 0.00 0.00 33.01 31.50 2whh s GLN 2 CO 0.00 0.54 0.20 0.54 -0.55 0.00 0.00 175.29 176.02 2whh s VAL 3 N -1.46 -0.03 0.78 1.34 0.11 0.22 -4.97 120.40 116.40 2whh s VAL 3 Ca 0.29 0.12 -0.10 0.00 -2.93 0.00 0.00 61.98 59.35 2whh s VAL 3 Cb -0.11 -0.31 0.09 0.00 -1.53 0.00 0.00 36.38 34.51 2whh s VAL 3 CO 0.21 0.05 1.12 0.42 -3.33 0.00 0.00 175.10 173.57 2whh s THR 4 N 0.92 2.12 -0.23 5.04 -4.23 -1.26 0.19 115.64 118.18 2whh s THR 4 Ca -0.07 -0.13 0.13 0.00 -1.18 0.00 0.00 61.69 60.43 2whh s THR 4 Cb -0.08 -2.98 0.46 0.00 1.34 0.00 0.00 72.50 71.24 2whh s THR 4 CO -0.05 0.00 1.37 0.18 -0.54 0.00 0.00 174.62 175.57 2whh n LEU 5 N -3.19 3.57 0.25 4.79 4.77 -1.26 -4.57 117.00 121.36 2whh n LEU 5 Ca 0.09 -3.53 0.16 0.00 -0.03 0.00 0.00 56.01 52.70 2whh n LEU 5 Cb 0.61 -0.57 0.56 0.00 -2.33 0.00 0.00 43.42 41.69 2whh n LEU 5 CO 0.53 1.07 0.95 -0.50 -1.33 0.00 0.00 177.39 178.11 2whh h TRP 6 N 1.02 0.00 -3.19 -1.77 4.06 -1.94 -3.43 115.95 110.71 2whh h TRP 6 Ca 0.10 0.00 -0.38 0.00 2.06 0.00 0.00 58.89 60.67 2whh h TRP 6 Cb 1.40 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 29.42 2whh h TRP 6 CO 0.71 0.00 -0.72 -0.65 -3.56 0.00 0.00 178.44 174.22 2whh s GLN 7 N -3.54 1.17 0.37 0.49 -1.52 -1.26 -5.11 119.66 110.25 2whh s GLN 7 Ca 0.03 -1.50 -0.28 0.00 -1.95 0.00 0.00 55.36 51.65 2whh s GLN 7 Cb 0.08 -0.83 -0.11 0.00 -0.22 0.00 0.00 33.01 31.93 2whh s GLN 7 CO 0.56 0.12 1.47 0.54 -0.25 0.00 0.00 175.29 177.73 2whh n ARG 8 N -0.26 2.59 -2.59 2.91 1.74 -1.26 -4.87 116.66 114.94 2whh n ARG 8 Ca -0.09 0.91 -0.43 0.00 -0.77 0.00 0.00 57.85 57.46 2whh n ARG 8 Cb 0.60 -2.62 0.00 0.00 -1.02 0.00 0.00 32.46 29.42 2whh n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2whh n PRO 9 N 0.58 3.22 -3.35 5.56 -0.04 -1.26 -4.97 135.00 134.72 2whh n PRO 9 Ca 0.02 -3.35 -0.35 0.00 -0.04 0.00 0.00 63.50 59.79 2whh n PRO 9 Cb 0.38 -3.39 -0.06 0.00 -0.04 0.00 0.00 33.50 30.40 2whh n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2whh s LEU 10 N 3.49 4.30 0.08 1.53 1.43 -1.26 -1.00 118.68 127.25 2whh s LEU 10 Ca 0.51 1.06 0.02 0.00 -1.03 0.00 0.00 54.13 54.69 2whh s LEU 10 Cb 0.04 -3.38 -0.04 0.00 0.03 0.00 0.00 46.19 42.84 2whh s LEU 10 CO 0.05 0.06 -0.07 0.68 0.23 0.00 0.00 176.35 177.30 2whh s VAL 11 N -1.55 0.63 -0.03 -1.59 -7.23 0.25 -4.95 120.40 105.93 2whh s VAL 11 Ca 0.40 -1.71 -0.17 0.00 -1.81 0.00 0.00 61.98 58.68 2whh s VAL 11 Cb -0.14 -1.40 -0.05 0.00 0.56 0.00 0.00 36.38 35.34 2whh s VAL 11 CO 0.19 -0.76 0.48 -0.89 -0.31 0.00 0.00 175.10 173.82 2whh s THR 12 N -3.08 5.02 0.16 5.32 2.01 -1.26 -1.10 115.64 122.72 2whh s THR 12 Ca 0.06 1.00 0.07 0.00 0.31 0.00 0.00 61.69 63.12 2whh s THR 12 Cb 0.02 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 2whh s THR 12 CO -0.04 0.46 -0.14 0.27 -0.69 0.00 0.00 174.62 174.48 2whh s ILE 13 N -0.35 1.52 -0.09 1.82 -4.36 0.50 -0.72 121.20 119.52 2whh s ILE 13 Ca 0.26 -1.96 0.02 0.00 -0.26 0.00 0.00 60.65 58.71 2whh s ILE 13 Cb -0.17 -1.80 0.01 0.00 1.25 0.00 0.00 42.46 41.76 2whh s ILE 13 CO 0.14 -0.51 -0.13 -0.75 0.24 0.00 0.00 174.94 173.93 2whh s LYS 14 N -3.16 1.91 -0.15 0.37 2.20 0.21 -1.22 119.74 119.90 2whh s LYS 14 Ca 0.16 -0.46 -0.13 0.00 -0.36 0.00 0.00 55.97 55.18 2whh s LYS 14 Cb -0.03 -1.63 0.04 0.00 -1.51 0.00 0.00 37.83 34.71 2whh s LYS 14 CO 0.04 -0.03 0.39 -1.50 -0.36 0.00 0.00 175.35 173.89 2whh s ILE 15 N 0.89 -0.01 -1.56 5.43 2.07 -0.36 -0.80 121.20 126.87 2whh s ILE 15 Ca -0.10 0.02 -0.02 0.00 -1.41 0.00 0.00 60.65 59.15 2whh s ILE 15 Cb -0.15 -0.55 0.01 0.00 0.13 0.00 0.00 42.46 41.89 2whh s ILE 15 CO 0.01 0.01 0.17 0.61 -1.91 0.00 0.00 174.94 173.82 2whh n GLY 16 N 3.15 -0.50 3.20 1.50 0.00 -1.26 -0.83 105.19 110.45 2whh n GLY 16 Ca -0.15 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2whh n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2whh n GLY 17 N -1.10 0.69 3.69 -0.02 0.00 -1.26 -4.98 105.19 102.22 2whh n GLY 17 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 2whh n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2whh s GLN 18 N -0.30 2.58 -0.17 1.61 -0.21 -0.01 -5.11 119.66 118.04 2whh s GLN 18 Ca 0.00 -0.82 -0.08 0.00 0.02 0.00 0.00 55.36 54.48 2whh s GLN 18 Cb 0.00 -2.56 -0.04 0.00 1.00 0.00 0.00 33.01 31.41 2whh s GLN 18 CO 0.00 0.54 0.10 -0.51 -2.12 0.00 0.00 175.29 173.30 2whh s LEU 19 N -2.29 4.07 0.17 2.90 1.43 -1.26 -1.22 118.68 122.48 2whh s LEU 19 Ca 0.26 0.23 -0.05 0.00 -1.03 0.00 0.00 54.13 53.53 2whh s LEU 19 Cb -0.12 -2.02 -0.02 0.00 0.03 0.00 0.00 46.19 44.06 2whh s LEU 19 CO 0.18 0.24 0.21 -0.54 0.23 0.00 0.00 176.35 176.68 2whh s LYS 20 N -0.04 1.15 0.03 1.70 1.02 -0.35 -5.00 119.74 118.25 2whh s LYS 20 Ca 0.08 -1.36 0.02 0.00 0.02 0.00 0.00 55.97 54.74 2whh s LYS 20 Cb -0.12 0.33 -0.04 0.00 -0.52 0.00 0.00 37.83 37.48 2whh s LYS 20 CO 0.00 -0.40 0.02 -1.21 -0.92 0.00 0.00 175.35 172.84 2whh s GLU 21 N -4.04 2.78 0.03 1.68 2.02 -1.26 -0.37 118.70 119.54 2whh s GLU 21 Ca 0.25 -0.66 -0.08 0.00 0.02 0.00 0.00 54.97 54.50 2whh s GLU 21 Cb 0.05 -2.67 -0.00 0.00 0.10 0.00 0.00 34.13 31.61 2whh s GLU 21 CO 0.04 0.60 0.16 0.00 0.02 0.00 0.00 175.26 176.08 2whh s ALA 22 N -1.19 -0.27 -0.19 5.21 0.00 -0.26 -4.59 121.76 120.47 2whh s ALA 22 Ca 0.23 -0.34 -0.15 0.00 0.00 0.00 0.00 51.96 51.70 2whh s ALA 22 Cb -0.12 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 2whh s ALA 22 CO 0.14 -0.33 0.34 -1.17 0.00 0.00 0.00 175.76 174.75 2whh s LEU 23 N -2.00 4.18 -0.34 0.00 2.96 0.17 -0.58 118.68 123.08 2whh s LEU 23 Ca -0.06 0.48 -0.29 0.00 -0.22 0.00 0.00 54.13 54.04 2whh s LEU 23 Cb -0.02 -2.44 0.00 0.00 0.50 0.00 0.00 46.19 44.24 2whh s LEU 23 CO -0.03 -0.00 1.38 -0.76 -1.32 0.00 0.00 176.35 175.62 2whh s LEU 24 N 0.99 3.76 -0.40 -0.68 1.43 -0.17 -0.34 118.68 123.27 2whh s LEU 24 Ca 0.17 1.09 0.04 0.00 -1.03 0.00 0.00 54.13 54.41 2whh s LEU 24 Cb -0.14 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.65 2whh s LEU 24 CO 0.06 -1.25 0.12 -0.62 0.23 0.00 0.00 176.35 174.90 2whh s ASP 25 N 3.44 4.56 0.53 2.29 -1.08 -0.38 -4.08 116.67 121.95 2whh s ASP 25 Ca 0.60 -2.43 0.35 0.00 -0.52 0.00 0.00 52.55 50.55 2whh s ASP 25 Cb -0.16 -1.59 1.73 0.00 -1.46 0.00 0.00 42.92 41.44 2whh s ASP 25 CO 0.28 -0.33 2.06 0.71 0.52 0.00 0.00 175.17 178.41 2whh h THR 26 N 6.21 0.00 -0.01 1.71 1.35 -1.83 -1.71 112.91 118.63 2whh h THR 26 Ca -0.06 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 2whh h THR 26 Cb 0.98 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 2whh h THR 26 CO 0.57 0.00 -0.00 0.61 -0.25 0.00 0.00 175.52 176.45 2whh n GLY 27 N -0.62 -0.38 3.52 5.82 0.00 -1.25 -4.66 105.19 107.63 2whh n GLY 27 Ca -0.01 -0.35 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 2whh n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2whh s ALA 28 N -2.01 3.12 0.17 4.61 0.00 -0.64 -4.98 121.76 122.03 2whh s ALA 28 Ca 0.41 -0.84 -0.02 0.00 0.00 0.00 0.00 51.96 51.52 2whh s ALA 28 Cb 0.21 -1.70 0.04 0.00 0.00 0.00 0.00 23.12 21.66 2whh s ALA 28 CO 0.35 0.12 1.42 -0.44 0.00 0.00 0.00 175.76 177.21 2whh h ASP 29 N 6.87 0.49 -1.81 0.00 3.32 -1.87 0.17 116.42 123.60 2whh h ASP 29 Ca -0.34 -0.33 -0.56 0.00 0.02 0.00 0.00 57.03 55.82 2whh h ASP 29 Cb 1.18 -0.15 -0.09 0.00 0.22 0.00 0.00 39.33 40.50 2whh h ASP 29 CO 0.64 1.08 -0.55 -1.81 -1.72 0.00 0.00 179.24 176.88 2whh s ASP 30 N -6.99 4.43 -0.20 6.45 1.01 -1.26 -2.45 116.67 117.65 2whh s ASP 30 Ca -0.06 -0.94 -0.11 0.00 0.71 0.00 0.00 52.55 52.15 2whh s ASP 30 Cb 0.10 -0.58 -0.05 0.00 1.01 0.00 0.00 42.92 43.40 2whh s ASP 30 CO 0.84 -0.35 0.16 -0.89 0.21 0.00 0.00 175.17 175.14 2whh s THR 31 N -2.51 5.38 -0.08 -1.27 2.01 -1.26 -2.96 115.64 114.96 2whh s THR 31 Ca 0.38 0.24 -0.00 0.00 0.31 0.00 0.00 61.69 62.61 2whh s THR 31 Cb 0.00 -3.50 0.02 0.00 0.01 0.00 0.00 72.50 69.04 2whh s THR 31 CO 0.21 0.41 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.82 2whh s VAL 32 N 0.55 0.64 0.10 3.82 1.01 -0.53 -0.86 120.40 125.12 2whh s VAL 32 Ca 0.09 -0.09 0.09 0.00 0.00 0.00 0.00 61.98 62.07 2whh s VAL 32 Cb -0.12 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 2whh s VAL 32 CO 0.00 0.29 -0.20 -0.76 0.00 0.00 0.00 175.10 174.43 2whh s LEU 33 N 1.55 2.60 0.79 3.92 1.43 0.87 -0.74 118.68 129.09 2whh s LEU 33 Ca -0.00 -0.57 -0.15 0.00 -1.03 0.00 0.00 54.13 52.38 2whh s LEU 33 Cb -0.13 -1.47 0.01 0.00 0.03 0.00 0.00 46.19 44.63 2whh s LEU 33 CO -0.04 0.20 0.75 -1.84 0.23 0.00 0.00 176.35 175.64 2whh n GLU 34 N 1.00 0.19 -1.59 1.70 0.28 -1.26 -1.72 120.64 119.23 2whh n GLU 34 Ca -0.16 0.12 -0.49 0.00 -0.16 0.00 0.00 57.16 56.46 2whh n GLU 34 Cb 0.53 -2.05 -0.05 0.00 1.43 0.00 0.00 31.44 31.29 2whh n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2whh n GLU 35 N -1.76 1.28 -3.79 3.44 4.07 -1.21 -4.60 120.64 118.06 2whh n GLU 35 Ca 0.11 0.46 -0.06 0.00 -0.06 0.00 0.00 57.16 57.60 2whh n GLU 35 Cb 0.51 -2.03 -0.02 0.00 -0.06 0.00 0.00 31.44 29.83 2whh n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2whh s MET 36 N 0.00 1.58 -0.33 5.31 0.23 -1.26 -5.04 119.30 119.79 2whh s MET 36 Ca 0.77 -0.85 -0.22 0.00 -1.03 0.00 0.00 55.69 54.36 2whh s MET 36 Cb -0.86 0.55 -0.00 0.00 -1.53 0.00 0.00 34.83 32.99 2whh s MET 36 CO 0.49 -0.72 0.71 0.45 -2.03 0.00 0.00 175.02 173.92 2whh s SER 37 N -2.90 6.54 0.05 -1.18 0.15 -1.26 -5.05 113.70 110.04 2whh s SER 37 Ca 0.11 0.43 0.05 0.00 0.70 0.00 0.00 55.95 57.24 2whh s SER 37 Cb -0.04 -2.37 -0.02 0.00 -1.71 0.00 0.00 66.02 61.88 2whh s SER 37 CO 0.04 -0.59 -0.15 -0.76 1.20 0.00 0.00 173.24 172.98 2whh s LEU 38 N 2.83 2.19 0.45 3.45 1.43 -1.26 -4.88 118.68 122.89 2whh s LEU 38 Ca 0.28 -0.49 -0.03 0.00 -1.03 0.00 0.00 54.13 52.86 2whh s LEU 38 Cb -0.14 -0.64 -0.03 0.00 0.03 0.00 0.00 46.19 45.41 2whh s LEU 38 CO 0.14 0.03 0.72 -2.16 0.23 0.00 0.00 176.35 175.30 2whh s PRO 39 N -1.25 3.42 0.00 1.29 0.04 -1.26 -5.00 135.00 132.23 2whh s PRO 39 Ca 0.02 -0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.02 2whh s PRO 39 Cb -0.08 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 31.99 2whh s PRO 39 CO 0.02 -0.15 0.00 0.41 0.04 0.00 0.00 177.00 177.31 2whh n GLY 40 N -2.14 0.22 3.86 0.56 0.00 -1.26 -5.01 105.19 101.42 2whh n GLY 40 Ca -0.01 -2.04 -0.31 0.00 0.00 0.00 0.00 46.02 43.66 2whh n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2whh s ARG 41 N -1.03 3.26 0.14 1.61 3.52 -1.26 -5.09 118.95 120.11 2whh s ARG 41 Ca 0.00 0.73 -0.15 0.00 -0.13 0.00 0.00 55.73 56.17 2whh s ARG 41 Cb 0.00 -2.04 0.03 0.00 -1.56 0.00 0.00 34.95 31.37 2whh s ARG 41 CO 0.00 -0.81 0.40 1.67 -0.81 0.00 0.00 175.30 175.75 2whh s TRP 42 N -3.19 -0.11 -0.01 5.12 1.48 -1.26 -4.68 118.94 116.30 2whh s TRP 42 Ca 0.56 -0.23 0.07 0.00 -1.06 0.00 0.00 56.10 55.45 2whh s TRP 42 Cb -0.12 0.24 -0.02 0.00 -1.16 0.00 0.00 33.47 32.41 2whh s TRP 42 CO 0.54 -0.74 -0.22 0.15 -4.06 0.00 0.00 176.95 172.62 2whh s LYS 43 N -3.84 2.14 0.24 3.25 1.02 -0.73 -4.87 119.74 116.96 2whh s LYS 43 Ca 0.06 -0.91 -0.30 0.00 0.02 0.00 0.00 55.97 54.84 2whh s LYS 43 Cb 0.02 -2.13 -0.09 0.00 -0.52 0.00 0.00 37.83 35.10 2whh s LYS 43 CO -0.09 0.56 1.21 -2.14 -0.92 0.00 0.00 175.35 173.98 2whh s PRO 44 N -0.89 4.49 0.10 -1.68 0.02 -1.26 0.24 135.00 136.01 2whh s PRO 44 Ca 0.11 1.96 -0.09 0.00 0.02 0.00 0.00 61.00 63.00 2whh s PRO 44 Cb -0.10 -3.18 0.00 0.00 0.02 0.00 0.00 34.50 31.23 2whh s PRO 44 CO 0.01 -0.06 0.21 0.21 -0.33 0.00 0.00 177.00 177.05 2whh s LYS 45 N -0.84 0.88 -0.09 5.54 2.20 -0.38 -4.87 119.74 122.19 2whh s LYS 45 Ca 0.50 -0.95 0.02 0.00 -0.36 0.00 0.00 55.97 55.19 2whh s LYS 45 Cb -0.35 0.36 0.01 0.00 -1.51 0.00 0.00 37.83 36.34 2whh s LYS 45 CO 0.41 -0.29 -0.16 1.41 -0.36 0.00 0.00 175.35 176.36 2whh s MET 46 N -3.86 2.18 0.14 4.03 -2.45 -1.26 -0.21 119.30 117.86 2whh s MET 46 Ca 0.06 -0.57 0.07 0.00 -1.25 0.00 0.00 55.69 54.00 2whh s MET 46 Cb 0.04 -1.77 -0.04 0.00 1.25 0.00 0.00 34.83 34.32 2whh s MET 46 CO -0.10 0.04 -0.16 0.96 1.05 0.00 0.00 175.02 176.80 2whh s ILE 47 N 0.69 1.57 0.38 10.11 -4.36 -0.68 -4.99 121.20 123.93 2whh s ILE 47 Ca -0.13 -1.79 0.08 0.00 -0.26 0.00 0.00 60.65 58.55 2whh s ILE 47 Cb -0.16 -1.67 -0.06 0.00 1.25 0.00 0.00 42.46 41.82 2whh s ILE 47 CO 0.03 -0.34 0.06 -0.83 0.24 0.00 0.00 174.94 174.10 2whh s GLY 48 N -2.50 2.28 0.00 6.27 0.00 -1.26 -1.54 107.32 110.58 2whh s GLY 48 Ca 0.12 -2.11 0.00 0.00 0.00 0.00 0.00 44.72 42.72 2whh s GLY 48 CO 0.05 -1.97 0.00 0.61 0.00 0.00 0.00 173.10 171.79 2whh n GLY 49 N -1.04 1.92 3.74 0.20 0.00 -0.09 -4.95 105.19 104.97 2whh n GLY 49 Ca -0.03 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.76 2whh n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2whh s ILE 50 N -2.68 3.50 0.00 -0.61 1.01 -1.26 -2.57 121.20 118.59 2whh s ILE 50 Ca 0.00 1.28 0.00 0.00 0.00 0.00 0.00 60.65 61.93 2whh s ILE 50 Cb 0.00 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.65 2whh s ILE 50 CO 0.00 0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.76 2whh n GLY 51 N 2.11 2.37 0.00 6.18 0.00 -1.26 -2.04 105.19 112.55 2whh n GLY 51 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2whh n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2whh n GLY 52 N -0.44 0.33 3.27 -0.02 0.00 -1.06 -4.00 105.19 103.27 2whh n GLY 52 Ca 0.00 -1.39 -0.15 0.00 0.00 0.00 0.00 46.02 44.48 2whh n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2whh s PHE 53 N -1.43 1.37 0.03 1.61 0.08 -1.26 -0.91 117.98 117.47 2whh s PHE 53 Ca 0.00 -0.71 0.00 0.00 0.12 0.00 0.00 56.93 56.34 2whh s PHE 53 Cb 0.00 -0.68 -0.02 0.00 -0.57 0.00 0.00 43.02 41.75 2whh s PHE 53 CO 0.00 0.15 -0.04 0.96 -0.10 0.00 0.00 175.22 176.19 2whh s ILE 54 N -3.24 0.22 -0.00 0.64 -4.36 -0.59 -4.78 121.20 109.10 2whh s ILE 54 Ca 0.18 -1.05 -0.17 0.00 -0.26 0.00 0.00 60.65 59.35 2whh s ILE 54 Cb 0.02 -0.47 -0.06 0.00 1.25 0.00 0.00 42.46 43.20 2whh s ILE 54 CO 0.02 -0.53 0.49 -0.75 0.24 0.00 0.00 174.94 174.41 2whh s LYS 55 N -1.75 4.14 0.25 0.37 2.20 -1.26 -1.68 119.74 122.00 2whh s LYS 55 Ca -0.12 0.55 0.01 0.00 -0.36 0.00 0.00 55.97 56.05 2whh s LYS 55 Cb -0.08 -3.29 -0.05 0.00 -1.51 0.00 0.00 37.83 32.90 2whh s LYS 55 CO -0.02 0.52 0.10 0.14 -0.36 0.00 0.00 175.35 175.74 2whh s VAL 56 N -0.62 0.46 -0.19 4.02 -7.23 0.70 -4.40 120.40 113.14 2whh s VAL 56 Ca 0.26 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.36 2whh s VAL 56 Cb -0.17 -2.61 -0.04 0.00 0.56 0.00 0.00 36.38 34.12 2whh s VAL 56 CO 0.15 0.00 0.06 -0.13 -0.31 0.00 0.00 175.10 174.87 2whh s ARG 57 N -4.05 3.92 -0.35 4.82 0.52 0.12 -1.25 118.95 122.68 2whh s ARG 57 Ca 0.38 -0.37 -0.15 0.00 -0.52 0.00 0.00 55.73 55.06 2whh s ARG 57 Cb 0.08 -3.21 -0.01 0.00 0.52 0.00 0.00 34.95 32.32 2whh s ARG 57 CO 0.13 0.21 0.37 -1.14 0.02 0.00 0.00 175.30 174.90 2whh s GLN 58 N 0.54 3.52 -0.15 3.54 0.74 0.14 -0.92 119.66 127.06 2whh s GLN 58 Ca 0.03 -0.44 -0.05 0.00 0.05 0.00 0.00 55.36 54.95 2whh s GLN 58 Cb -0.13 -3.82 -0.03 0.00 1.10 0.00 0.00 33.01 30.13 2whh s GLN 58 CO 0.01 -0.56 0.02 0.71 -0.55 0.00 0.00 175.29 174.92 2whh s TYR 59 N 2.04 3.17 0.30 1.67 1.51 -0.33 -1.77 117.35 123.94 2whh s TYR 59 Ca 0.12 -0.01 0.07 0.00 -1.01 0.00 0.00 57.07 56.24 2whh s TYR 59 Cb -0.17 -1.98 -0.03 0.00 -0.11 0.00 0.00 41.96 39.68 2whh s TYR 59 CO 0.12 0.17 0.24 -0.51 -1.11 0.00 0.00 175.55 174.46 2whh s ASP 60 N 0.08 5.36 -1.49 2.29 1.01 -1.26 -0.58 116.67 122.07 2whh s ASP 60 Ca 0.03 -0.40 -0.11 0.00 0.71 0.00 0.00 52.55 52.78 2whh s ASP 60 Cb -0.13 -1.15 0.07 0.00 1.01 0.00 0.00 42.92 42.72 2whh s ASP 60 CO 0.02 -0.21 0.91 0.00 0.21 0.00 0.00 175.17 176.10 2whh n GLN 61 N -1.27 -5.29 -3.42 8.23 1.13 -1.15 -4.92 117.38 110.68 2whh n GLN 61 Ca -0.05 0.59 -0.38 0.00 -1.94 0.00 0.00 57.00 55.23 2whh n GLN 61 Cb 0.59 -5.39 -0.06 0.00 0.11 0.00 0.00 30.24 25.49 2whh n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2whh s ILE 62 N -3.39 5.17 -0.03 5.09 -1.09 0.32 -4.76 121.20 122.51 2whh s ILE 62 Ca 0.52 0.82 -0.24 0.00 -2.23 0.00 0.00 60.65 59.52 2whh s ILE 62 Cb -0.26 -3.74 -0.04 0.00 -1.58 0.00 0.00 42.46 36.84 2whh s ILE 62 CO 0.83 0.42 0.73 -0.22 -1.23 0.00 0.00 174.94 175.47 2whh s LEU 63 N 0.09 4.36 -0.01 2.97 2.96 -1.26 -1.41 118.68 126.37 2whh s LEU 63 Ca 0.23 1.29 0.00 0.00 -0.22 0.00 0.00 54.13 55.44 2whh s LEU 63 Cb -0.15 -3.15 0.01 0.00 0.50 0.00 0.00 46.19 43.41 2whh s LEU 63 CO 0.10 -0.08 -0.00 -0.51 -1.32 0.00 0.00 176.35 174.53 2whh s ILE 64 N 0.53 0.13 -0.31 6.68 2.07 0.03 -4.43 121.20 125.89 2whh s ILE 64 Ca 0.38 0.03 -0.10 0.00 -1.41 0.00 0.00 60.65 59.55 2whh s ILE 64 Cb -0.19 -0.18 -0.01 0.00 0.13 0.00 0.00 42.46 42.21 2whh s ILE 64 CO 0.20 0.09 0.17 -1.61 -1.91 0.00 0.00 174.94 171.88 2whh s GLU 65 N 0.53 3.43 -0.32 3.50 2.02 0.02 -1.28 118.70 126.60 2whh s GLU 65 Ca -0.05 -0.66 -0.07 0.00 0.02 0.00 0.00 54.97 54.21 2whh s GLU 65 Cb -0.08 -3.60 0.02 0.00 0.10 0.00 0.00 34.13 30.58 2whh s GLU 65 CO -0.01 -0.39 0.10 0.42 0.02 0.00 0.00 175.26 175.40 2whh s ILE 66 N 1.64 3.95 -1.61 -1.63 1.01 0.11 -0.62 121.20 124.06 2whh s ILE 66 Ca 0.05 -0.89 -0.16 0.00 0.00 0.00 0.00 60.65 59.65 2whh s ILE 66 Cb -0.17 -3.14 0.13 0.00 0.01 0.00 0.00 42.46 39.29 2whh s ILE 66 CO 0.07 -0.06 0.85 0.00 0.00 0.00 0.00 174.94 175.80 2whh n GLY 68 N -1.49 3.17 3.70 0.00 0.00 -1.26 -5.02 105.19 104.29 2whh n GLY 68 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 2whh n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2whh s HIS 69 N -1.98 3.51 0.20 1.61 4.02 0.42 -5.00 115.29 118.06 2whh s HIS 69 Ca 0.00 1.12 -0.23 0.00 1.02 0.00 0.00 55.06 56.97 2whh s HIS 69 Cb 0.00 -2.78 -0.08 0.00 -1.02 0.00 0.00 32.58 28.70 2whh s HIS 69 CO 0.00 0.01 0.76 0.15 1.02 0.00 0.00 174.74 176.69 2whh s LYS 70 N 1.14 4.43 -0.01 1.40 1.02 -1.26 0.05 119.74 126.51 2whh s LYS 70 Ca 0.34 1.04 -0.13 0.00 0.02 0.00 0.00 55.97 57.24 2whh s LYS 70 Cb -0.17 -3.06 0.02 0.00 -0.52 0.00 0.00 37.83 34.10 2whh s LYS 70 CO 0.15 0.47 0.27 0.00 -0.92 0.00 0.00 175.35 175.32 2whh s ALA 71 N -1.35 -0.66 -0.04 5.17 0.00 -0.40 -4.84 121.76 119.64 2whh s ALA 71 Ca 0.40 0.18 0.03 0.00 0.00 0.00 0.00 51.96 52.58 2whh s ALA 71 Cb -0.20 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.03 2whh s ALA 71 CO 0.24 -0.26 -0.13 0.42 0.00 0.00 0.00 175.76 176.02 2whh s ILE 72 N -1.45 1.11 -0.75 0.00 1.01 -1.26 -0.79 121.20 119.07 2whh s ILE 72 Ca -0.13 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 59.98 2whh s ILE 72 Cb -0.05 -0.97 0.00 0.00 0.01 0.00 0.00 42.46 41.44 2whh s ILE 72 CO 0.03 0.33 0.00 0.61 0.00 0.00 0.00 174.94 175.91 2whh n GLY 73 N 3.26 -0.83 3.72 6.18 0.00 -0.50 -4.88 105.19 112.14 2whh n GLY 73 Ca -0.19 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 2whh n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2whh s THR 74 N -3.00 4.65 -0.08 2.61 2.01 -1.26 -0.52 115.64 120.05 2whh s THR 74 Ca 0.00 2.03 0.02 0.00 0.31 0.00 0.00 61.69 64.05 2whh s THR 74 Cb 0.00 -4.30 0.01 0.00 0.01 0.00 0.00 72.50 68.22 2whh s THR 74 CO 0.00 0.26 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.37 2whh s VAL 75 N 0.36 1.30 -0.11 3.82 1.01 0.26 -4.47 120.40 122.56 2whh s VAL 75 Ca 0.48 -0.56 -0.06 0.00 0.00 0.00 0.00 61.98 61.84 2whh s VAL 75 Cb -0.22 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 2whh s VAL 75 CO 0.29 0.40 0.12 -0.76 0.00 0.00 0.00 175.10 175.14 2whh s LEU 76 N 0.75 4.26 -0.12 3.92 1.43 -0.04 -1.18 118.68 127.69 2whh s LEU 76 Ca -0.13 0.42 0.03 0.00 -1.03 0.00 0.00 54.13 53.42 2whh s LEU 76 Cb -0.16 -2.03 0.01 0.00 0.03 0.00 0.00 46.19 44.04 2whh s LEU 76 CO 0.03 0.40 -0.20 -0.69 0.23 0.00 0.00 176.35 176.12 2whh s VAL 77 N -1.00 1.84 0.00 -1.59 1.01 -0.10 -0.09 120.40 120.47 2whh s VAL 77 Ca 0.15 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.27 2whh s VAL 77 Cb -0.12 -1.64 0.00 0.00 0.00 0.00 0.00 36.38 34.62 2whh s VAL 77 CO 0.04 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.26 2whh n GLY 78 N 3.98 0.49 2.07 4.51 0.00 -0.70 0.13 105.19 115.66 2whh n GLY 78 Ca -0.20 -0.81 -0.05 0.00 0.00 0.00 0.00 46.02 44.97 2whh n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2whh n PRO 79 N 0.00 0.97 -2.76 1.61 -0.04 -1.26 -3.35 135.00 130.17 2whh n PRO 79 Ca 0.00 -0.40 -0.38 0.00 -0.04 0.00 0.00 63.50 62.68 2whh n PRO 79 Cb 0.00 -1.62 -0.06 0.00 -0.04 0.00 0.00 33.50 31.78 2whh n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2whh s THR 80 N 1.57 4.14 0.14 0.52 -1.32 -1.26 -4.95 115.64 114.49 2whh s THR 80 Ca 0.27 1.90 0.34 0.00 -1.21 0.00 0.00 61.69 62.99 2whh s THR 80 Cb 0.13 -4.11 0.39 0.00 -1.51 0.00 0.00 72.50 67.39 2whh s THR 80 CO 0.00 0.26 2.00 1.55 -2.21 0.00 0.00 174.62 176.22 2whh h PRO 81 N 3.50 0.00 -3.49 7.08 0.13 -1.87 -3.43 132.00 133.91 2whh h PRO 81 Ca -0.46 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.51 2whh h PRO 81 Cb 1.19 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.10 2whh h PRO 81 CO 0.66 0.02 -0.52 0.08 -0.23 0.00 0.00 178.00 178.01 2whh s VAL 82 N -3.70 0.06 0.04 1.56 1.01 -1.26 -5.07 120.40 113.03 2whh s VAL 82 Ca 0.01 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.18 2whh s VAL 82 Cb 0.09 -0.36 -0.05 0.00 0.00 0.00 0.00 36.38 36.06 2whh s VAL 82 CO 0.54 -0.27 1.21 0.20 0.00 0.00 0.00 175.10 176.78 2whh s ASN 83 N -0.95 7.06 -0.02 3.32 0.01 -1.26 -4.72 114.94 118.37 2whh s ASN 83 Ca -0.10 1.99 0.04 0.00 -0.71 0.00 0.00 52.86 54.08 2whh s ASN 83 Cb -0.06 -2.57 -0.01 0.00 0.41 0.00 0.00 41.25 39.02 2whh s ASN 83 CO 0.01 -0.51 -0.15 0.27 -1.51 0.00 0.00 177.10 175.21 2whh s ILE 84 N 1.34 1.23 -0.38 0.60 -4.36 0.08 -0.65 121.20 119.05 2whh s ILE 84 Ca 0.59 -0.65 -0.12 0.00 -0.26 0.00 0.00 60.65 60.20 2whh s ILE 84 Cb -0.29 -1.03 0.02 0.00 1.25 0.00 0.00 42.46 42.41 2whh s ILE 84 CO 0.28 0.35 0.24 -0.63 0.24 0.00 0.00 174.94 175.42 2whh s ILE 85 N -0.24 4.85 0.76 8.37 -1.09 0.54 -1.46 121.20 132.94 2whh s ILE 85 Ca 0.03 -0.74 -0.03 0.00 -2.23 0.00 0.00 60.65 57.68 2whh s ILE 85 Cb -0.07 -3.69 0.14 0.00 -1.58 0.00 0.00 42.46 37.26 2whh s ILE 85 CO -0.00 -0.24 1.05 -0.83 -1.23 0.00 0.00 174.94 173.69 2whh s GLY 86 N 1.61 1.76 0.58 6.18 0.00 -1.15 -1.25 107.32 115.05 2whh s GLY 86 Ca 0.03 -1.63 0.27 0.00 0.00 0.00 0.00 44.72 43.39 2whh s GLY 86 CO 0.08 -1.03 2.19 3.21 0.00 0.00 0.00 173.10 177.55 2whh h ARG 87 N -0.72 0.00 -0.06 2.90 3.08 -0.63 -1.05 114.38 117.89 2whh h ARG 87 Ca -0.38 0.00 0.02 0.00 0.07 0.00 0.00 59.98 59.69 2whh h ARG 87 Cb 1.26 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.31 2whh h ARG 87 CO 0.40 0.00 0.05 -2.95 -1.07 0.00 0.00 179.97 176.40 2whh h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.74 -2.63 115.58 117.18 2whh h ASN 88 Ca 0.03 0.00 -0.27 0.00 0.07 0.00 0.00 56.30 56.14 2whh h ASN 88 Cb 0.17 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.37 2whh h ASN 88 CO -0.00 0.00 -2.00 0.18 0.07 0.00 0.00 177.43 175.68 2whh n LEU 89 N -4.41 0.02 -0.08 6.14 4.77 -0.60 -4.50 117.00 118.33 2whh n LEU 89 Ca -0.01 -0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.03 2whh n LEU 89 Cb 0.15 0.35 0.41 0.00 -2.33 0.00 0.00 43.42 42.01 2whh n LEU 89 CO 0.33 0.36 1.19 -0.07 -1.33 0.00 0.00 177.39 177.87 2whh h LEU 90 N 0.00 0.52 -1.42 2.23 3.38 -1.05 -1.48 115.31 117.49 2whh h LEU 90 Ca -0.39 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.51 2whh h LEU 90 Cb 1.90 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.52 2whh h LEU 90 CO 0.02 0.35 -0.28 0.71 0.09 0.00 0.00 178.44 179.33 2whh h THR 91 N 0.60 1.02 0.00 0.22 1.35 -1.70 -1.86 112.91 112.54 2whh h THR 91 Ca 0.23 -1.04 -0.08 0.00 -0.55 0.00 0.00 66.41 64.97 2whh h THR 91 Cb 0.16 1.59 -0.01 0.00 -1.73 0.00 0.00 68.15 68.15 2whh h THR 91 CO -0.06 0.28 -0.39 1.56 -0.25 0.00 0.00 175.52 176.66 2whh h GLN 92 N 0.00 0.00 -0.63 4.72 4.20 -1.51 -2.51 115.11 119.38 2whh h GLN 92 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2whh h GLN 92 Cb 0.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.35 2whh h GLN 92 CO 0.04 0.39 0.00 0.44 -0.67 0.00 0.00 178.83 179.03 2whh n ILE 93 N -3.51 2.21 -3.64 2.54 -5.35 -1.03 -4.93 119.36 105.64 2whh n ILE 93 Ca -0.00 -1.23 -0.23 0.00 -0.27 0.00 0.00 62.75 61.01 2whh n ILE 93 Cb 0.53 -0.11 0.07 0.00 -1.74 0.00 0.00 39.64 38.39 2whh n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2whh n GLY 94 N 0.84 -0.47 3.75 3.28 0.00 -0.95 -4.74 105.19 106.90 2whh n GLY 94 Ca 0.26 0.20 -0.41 0.00 0.00 0.00 0.00 46.02 46.07 2whh n GLY 94 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2whh s MET 95 N -6.14 4.67 0.08 1.61 1.75 -0.73 -4.31 119.30 116.23 2whh s MET 95 Ca 0.42 1.67 0.03 0.00 -1.25 0.00 0.00 55.69 56.56 2whh s MET 95 Cb -0.19 -3.26 -0.03 0.00 2.84 0.00 0.00 34.83 34.18 2whh s MET 95 CO 0.76 0.22 -0.08 0.95 -0.65 0.00 0.00 175.02 176.22 2whh s THR 96 N -0.68 0.75 -0.14 10.11 -4.23 0.17 -4.10 115.64 117.51 2whh s THR 96 Ca 0.46 -1.53 -0.04 0.00 -1.18 0.00 0.00 61.69 59.39 2whh s THR 96 Cb -0.29 -1.20 -0.03 0.00 1.34 0.00 0.00 72.50 72.32 2whh s THR 96 CO 0.36 -0.58 0.01 -0.22 -0.54 0.00 0.00 174.62 173.65 2whh s LEU 97 N -2.31 3.59 -0.06 4.79 2.96 0.12 -0.03 118.68 127.74 2whh s LEU 97 Ca 0.02 0.05 0.01 0.00 -0.22 0.00 0.00 54.13 54.00 2whh s LEU 97 Cb -0.03 -1.86 0.02 0.00 0.50 0.00 0.00 46.19 44.81 2whh s LEU 97 CO -0.01 0.25 -0.09 0.20 -1.32 0.00 0.00 176.35 175.38 2whh s ASN 98 N -0.10 1.53 0.00 3.68 0.01 0.15 0.47 114.94 120.68 2whh s ASN 98 Ca 0.05 -0.23 0.00 0.00 -0.71 0.00 0.00 52.86 51.96 2whh s ASN 98 Cb -0.13 -0.69 0.00 0.00 0.41 0.00 0.00 41.25 40.85 2whh s ASN 98 CO 0.02 -0.02 0.00 2.22 -1.51 0.00 0.00 177.10 177.81 2whh n PHE 99 N 4.07 0.00 0.00 2.20 1.16 -1.26 0.94 117.46 124.57 2whh n PHE 99 Ca -0.22 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.36 2whh n PHE 99 Cb 0.51 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.38 2whh n PHE 99 CO 0.00 0.00 0.00 -0.35 -1.87 0.00 0.00 176.76 174.54 2whh n PRO 1001N 0.00 0.00 -4.42 3.97 -0.04 -1.26 -5.01 135.00 128.24 2whh n PRO 1001Ca 0.00 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.11 2whh n PRO 1001Cb 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.36 2whh n PRO 1001CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2whh s GLN 1002N 0.00 2.92 -0.14 0.54 0.74 -1.26 -4.99 119.66 117.46 2whh s GLN 1002Ca 0.00 -0.45 0.00 0.00 0.05 0.00 0.00 55.36 54.96 2whh s GLN 1002Cb 0.00 -2.74 0.02 0.00 1.10 0.00 0.00 33.01 31.39 2whh s GLN 1002CO 0.00 0.69 -0.13 0.08 -0.55 0.00 0.00 175.29 175.38 2whh s VAL 1003N -0.89 1.50 0.68 1.34 1.01 0.18 -4.96 120.40 119.26 2whh s VAL 1003Ca 0.14 -0.59 -0.06 0.00 0.00 0.00 0.00 61.98 61.47 2whh s VAL 1003Cb -0.11 -1.41 0.06 0.00 0.00 0.00 0.00 36.38 34.91 2whh s VAL 1003CO 0.03 0.45 0.98 0.42 0.00 0.00 0.00 175.10 176.98 2whh s THR 1004N 1.47 2.33 -0.22 3.92 -4.23 -1.26 0.13 115.64 117.78 2whh s THR 1004Ca 0.04 -0.32 0.13 0.00 -1.18 0.00 0.00 61.69 60.36 2whh s THR 1004Cb -0.13 -3.00 0.48 0.00 1.34 0.00 0.00 72.50 71.19 2whh s THR 1004CO -0.10 -0.00 1.39 0.18 -0.54 0.00 0.00 174.62 175.55 2whh n LEU 1005N -2.84 3.70 0.27 4.79 4.77 -1.26 -4.53 117.00 121.89 2whh n LEU 1005Ca 0.08 -3.41 0.16 0.00 -0.03 0.00 0.00 56.01 52.81 2whh n LEU 1005Cb 0.60 -0.57 0.62 0.00 -2.33 0.00 0.00 43.42 41.75 2whh n LEU 1005CO 0.51 0.97 0.95 -0.50 -1.33 0.00 0.00 177.39 178.00 2whh h TRP 1006N 1.15 0.00 -3.08 -1.77 4.06 -1.94 -3.44 115.95 110.94 2whh h TRP 1006Ca 0.10 0.00 -0.41 0.00 2.06 0.00 0.00 58.89 60.64 2whh h TRP 1006Cb 1.45 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.47 2whh h TRP 1006CO 0.67 0.03 -0.68 -0.65 -3.56 0.00 0.00 178.44 174.25 2whh s GLN 1007N -3.64 1.34 0.36 0.49 -1.52 -1.26 -5.11 119.66 110.31 2whh s GLN 1007Ca 0.01 -1.65 -0.28 0.00 -1.95 0.00 0.00 55.36 51.49 2whh s GLN 1007Cb 0.09 -0.84 -0.11 0.00 -0.22 0.00 0.00 33.01 31.93 2whh s GLN 1007CO 0.57 0.02 1.49 1.03 -0.25 0.00 0.00 175.29 178.14 2whh s ARG 1008N -3.77 4.14 -1.26 2.91 0.52 -1.26 -4.88 118.95 115.35 2whh s ARG 1008Ca 0.25 2.54 -0.18 0.00 -0.52 0.00 0.00 55.73 57.82 2whh s ARG 1008Cb 0.04 -2.99 0.08 0.00 0.52 0.00 0.00 34.95 32.60 2whh s ARG 1008CO 0.08 -0.52 1.67 -1.25 0.02 0.00 0.00 175.30 175.30 2whh s PRO 1009N -1.77 3.96 0.04 3.54 0.04 -1.26 -4.97 135.00 134.57 2whh s PRO 1009Ca 0.54 -1.99 -0.12 0.00 0.04 0.00 0.00 61.00 59.47 2whh s PRO 1009Cb -0.46 -5.46 -0.06 0.00 0.04 0.00 0.00 34.50 28.57 2whh s PRO 1009CO 0.59 -2.19 0.39 -0.51 0.04 0.00 0.00 177.00 175.33 2whh s LEU 1010N 3.95 4.40 0.18 -3.56 1.43 -1.26 -0.77 118.68 123.04 2whh s LEU 1010Ca 0.52 0.85 0.04 0.00 -1.03 0.00 0.00 54.13 54.50 2whh s LEU 1010Cb 0.03 -2.77 -0.05 0.00 0.03 0.00 0.00 46.19 43.43 2whh s LEU 1010CO 0.05 0.25 -0.05 0.68 0.23 0.00 0.00 176.35 177.51 2whh s VAL 1011N -1.25 1.06 -0.11 -1.59 -7.23 -0.01 -4.96 120.40 106.31 2whh s VAL 1011Ca 0.28 -2.04 -0.11 0.00 -1.81 0.00 0.00 61.98 58.30 2whh s VAL 1011Cb -0.15 -2.05 -0.05 0.00 0.56 0.00 0.00 36.38 34.69 2whh s VAL 1011CO 0.15 -0.57 0.26 -0.89 -0.31 0.00 0.00 175.10 173.74 2whh s THR 1012N -3.40 5.31 0.18 5.32 2.01 -1.26 -1.27 115.64 122.53 2whh s THR 1012Ca 0.22 0.47 0.08 0.00 0.31 0.00 0.00 61.69 62.77 2whh s THR 1012Cb 0.04 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.95 2whh s THR 1012CO 0.04 0.52 -0.17 0.27 -0.69 0.00 0.00 174.62 174.59 2whh s ILE 1013N -0.41 1.78 -0.10 1.82 -4.36 0.27 -1.04 121.20 119.16 2whh s ILE 1013Ca 0.17 -2.03 0.01 0.00 -0.26 0.00 0.00 60.65 58.54 2whh s ILE 1013Cb -0.13 -1.91 0.02 0.00 1.25 0.00 0.00 42.46 41.68 2whh s ILE 1013CO 0.06 -0.43 -0.13 -0.75 0.24 0.00 0.00 174.94 173.92 2whh s LYS 1014N -3.13 1.95 -0.17 0.37 2.20 -0.23 -1.52 119.74 119.20 2whh s LYS 1014Ca 0.18 -0.46 -0.14 0.00 -0.36 0.00 0.00 55.97 55.19 2whh s LYS 1014Cb -0.04 -1.70 0.05 0.00 -1.51 0.00 0.00 37.83 34.63 2whh s LYS 1014CO 0.07 -0.08 0.44 -1.50 -0.36 0.00 0.00 175.35 173.92 2whh s ILE 1015N 1.03 -0.01 -1.55 5.43 2.07 -0.21 -0.92 121.20 127.04 2whh s ILE 1015Ca -0.07 0.02 -0.04 0.00 -1.41 0.00 0.00 60.65 59.16 2whh s ILE 1015Cb -0.15 -0.63 0.01 0.00 0.13 0.00 0.00 42.46 41.83 2whh s ILE 1015CO -0.01 0.01 0.44 0.61 -1.91 0.00 0.00 174.94 174.07 2whh n GLY 1016N 3.24 -0.51 3.22 1.50 0.00 -1.26 -0.97 105.19 110.41 2whh n GLY 1016Ca -0.16 0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2whh n GLY 1016CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2whh n GLY 1017N -1.35 0.61 3.63 -0.02 0.00 -1.26 -4.98 105.19 101.83 2whh n GLY 1017Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 2whh n GLY 1017CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2whh s GLN 1018N -0.39 2.32 -0.18 1.61 -0.21 -0.14 -5.12 119.66 117.55 2whh s GLN 1018Ca 0.00 -0.95 -0.09 0.00 0.02 0.00 0.00 55.36 54.35 2whh s GLN 1018Cb 0.00 -2.41 -0.05 0.00 1.00 0.00 0.00 33.01 31.55 2whh s GLN 1018CO 0.00 0.52 0.11 -0.51 -2.12 0.00 0.00 175.29 173.29 2whh s LEU 1019N -2.29 4.15 0.18 2.90 1.43 -1.26 -1.04 118.68 122.75 2whh s LEU 1019Ca 0.24 0.25 -0.06 0.00 -1.03 0.00 0.00 54.13 53.53 2whh s LEU 1019Cb -0.11 -2.05 -0.02 0.00 0.03 0.00 0.00 46.19 44.03 2whh s LEU 1019CO 0.16 0.24 0.23 -0.54 0.23 0.00 0.00 176.35 176.66 2whh s LYS 1020N 0.02 1.19 0.05 1.70 1.02 -0.57 -5.00 119.74 118.14 2whh s LYS 1020Ca 0.09 -1.37 0.04 0.00 0.02 0.00 0.00 55.97 54.75 2whh s LYS 1020Cb -0.11 0.34 -0.04 0.00 -0.52 0.00 0.00 37.83 37.49 2whh s LYS 1020CO -0.00 -0.42 -0.05 -1.21 -0.92 0.00 0.00 175.35 172.75 2whh s GLU 1021N -4.05 2.48 0.07 1.68 2.02 -1.26 -0.56 118.70 119.08 2whh s GLU 1021Ca 0.25 -0.81 -0.07 0.00 0.02 0.00 0.00 54.97 54.36 2whh s GLU 1021Cb 0.04 -2.49 -0.01 0.00 0.10 0.00 0.00 34.13 31.78 2whh s GLU 1021CO 0.05 0.57 0.15 0.00 0.02 0.00 0.00 175.26 176.04 2whh s ALA 1022N -1.14 -0.10 -0.19 5.21 0.00 -0.40 -4.59 121.76 120.56 2whh s ALA 1022Ca 0.21 -0.69 -0.11 0.00 0.00 0.00 0.00 51.96 51.36 2whh s ALA 1022Cb -0.11 0.42 -0.05 0.00 0.00 0.00 0.00 23.12 23.37 2whh s ALA 1022CO 0.12 -0.46 0.18 -1.17 0.00 0.00 0.00 175.76 174.43 2whh s LEU 1023N -2.76 4.21 -0.36 0.00 2.96 -0.11 -0.83 118.68 121.79 2whh s LEU 1023Ca 0.04 0.30 -0.29 0.00 -0.22 0.00 0.00 54.13 53.96 2whh s LEU 1023Cb 0.05 -2.17 0.00 0.00 0.50 0.00 0.00 46.19 44.56 2whh s LEU 1023CO -0.10 0.14 1.41 -0.76 -1.32 0.00 0.00 176.35 175.73 2whh s LEU 1024N 0.47 3.69 -0.38 -0.68 1.43 0.05 -0.39 118.68 122.87 2whh s LEU 1024Ca 0.10 1.02 0.04 0.00 -1.03 0.00 0.00 54.13 54.26 2whh s LEU 1024Cb -0.12 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.67 2whh s LEU 1024CO 0.00 -1.33 0.11 -0.62 0.23 0.00 0.00 176.35 174.75 2whh s ASP 1025N 3.71 4.55 0.32 2.29 3.68 -0.38 -3.97 116.67 126.87 2whh s ASP 1025Ca 0.61 -2.34 0.25 0.00 2.13 0.00 0.00 52.55 53.21 2whh s ASP 1025Cb -0.16 -1.54 1.12 0.00 -1.45 0.00 0.00 42.92 40.89 2whh s ASP 1025CO 0.30 -0.34 1.76 0.71 0.13 0.00 0.00 175.17 177.72 2whh h THR 1026N 6.28 0.00 -0.01 1.71 1.35 -1.84 -2.21 112.91 118.18 2whh h THR 1026Ca -0.06 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 2whh h THR 1026Cb 0.98 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 2whh h THR 1026CO 0.56 0.00 -0.03 0.61 -0.25 0.00 0.00 175.52 176.40 2whh n GLY 1027N -0.30 -0.25 3.57 5.82 0.00 -1.26 -4.65 105.19 108.13 2whh n GLY 1027Ca 0.01 -0.40 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 2whh n GLY 1027CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2whh s ALA 1028N -2.07 3.25 0.17 4.61 0.00 -0.83 -4.97 121.76 121.91 2whh s ALA 1028Ca 0.38 -0.79 -0.02 0.00 0.00 0.00 0.00 51.96 51.53 2whh s ALA 1028Cb 0.21 -1.80 0.03 0.00 0.00 0.00 0.00 23.12 21.56 2whh s ALA 1028CO 0.37 0.15 1.41 -0.44 0.00 0.00 0.00 175.76 177.25 2whh h ASP 1029N 6.79 0.47 -1.85 0.00 3.45 -1.87 0.23 116.42 123.64 2whh h ASP 1029Ca -0.35 -0.32 -0.58 0.00 0.43 0.00 0.00 57.03 56.21 2whh h ASP 1029Cb 1.18 -0.14 -0.10 0.00 -0.56 0.00 0.00 39.33 39.71 2whh h ASP 1029CO 0.67 1.07 -0.58 -1.81 -1.57 0.00 0.00 179.24 177.02 2whh s ASP 1030N -6.98 4.30 -0.21 6.45 -0.00 -1.26 -2.49 116.67 116.48 2whh s ASP 1030Ca -0.05 -0.98 -0.13 0.00 -0.00 0.00 0.00 52.55 51.39 2whh s ASP 1030Cb 0.10 -0.56 -0.05 0.00 -0.00 0.00 0.00 42.92 42.42 2whh s ASP 1030CO 0.84 -0.31 0.25 -0.89 -0.00 0.00 0.00 175.17 175.06 2whh s THR 1031N -2.52 5.31 -0.11 -1.27 2.01 -1.26 -3.07 115.64 114.72 2whh s THR 1031Ca 0.36 0.40 -0.00 0.00 0.31 0.00 0.00 61.69 62.76 2whh s THR 1031Cb 0.01 -3.59 0.03 0.00 0.01 0.00 0.00 72.50 68.95 2whh s THR 1031CO 0.20 0.34 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.71 2whh s VAL 1032N 0.93 1.00 0.12 3.82 1.01 -0.51 -0.72 120.40 126.04 2whh s VAL 1032Ca 0.13 -0.28 0.09 0.00 0.00 0.00 0.00 61.98 61.92 2whh s VAL 1032Cb -0.13 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 2whh s VAL 1032CO 0.04 0.35 -0.18 -0.76 0.00 0.00 0.00 175.10 174.56 2whh s LEU 1033N 1.72 2.70 0.72 3.92 1.43 0.94 -0.72 118.68 129.39 2whh s LEU 1033Ca 0.05 -0.57 -0.16 0.00 -1.03 0.00 0.00 54.13 52.42 2whh s LEU 1033Cb -0.13 -1.54 -0.05 0.00 0.03 0.00 0.00 46.19 44.50 2whh s LEU 1033CO -0.08 0.18 0.41 -1.84 0.23 0.00 0.00 176.35 175.25 2whh n GLU 1034N 0.78 0.26 -1.60 1.70 0.28 -1.26 -1.73 120.64 119.06 2whh n GLU 1034Ca -0.16 0.12 -0.49 0.00 -0.16 0.00 0.00 57.16 56.48 2whh n GLU 1034Cb 0.53 -1.72 -0.04 0.00 1.43 0.00 0.00 31.44 31.63 2whh n GLU 1034CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2whh n GLU 1035N -0.40 1.39 -3.76 3.44 4.07 -1.22 -4.58 120.64 119.56 2whh n GLU 1035Ca 0.09 0.50 -0.08 0.00 -0.06 0.00 0.00 57.16 57.61 2whh n GLU 1035Cb 0.50 -2.09 -0.02 0.00 -0.06 0.00 0.00 31.44 29.76 2whh n GLU 1035CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2whh s MET 1036N 0.04 1.64 -0.36 5.31 0.23 -1.26 -5.04 119.30 119.87 2whh s MET 1036Ca 0.77 -0.88 -0.25 0.00 -1.03 0.00 0.00 55.69 54.30 2whh s MET 1036Cb -0.84 0.59 0.01 0.00 -1.53 0.00 0.00 34.83 33.07 2whh s MET 1036CO 0.48 -0.74 0.86 0.45 -2.03 0.00 0.00 175.02 174.04 2whh s SER 1037N -2.88 6.63 0.02 -1.18 0.15 -1.26 -5.04 113.70 110.14 2whh s SER 1037Ca 0.09 0.50 0.06 0.00 0.70 0.00 0.00 55.95 57.30 2whh s SER 1037Cb -0.04 -2.43 -0.02 0.00 -1.71 0.00 0.00 66.02 61.81 2whh s SER 1037CO 0.02 -0.79 -0.17 -0.22 1.20 0.00 0.00 173.24 173.29 2whh s LEU 1038N 3.28 2.12 0.38 3.45 2.96 -1.26 -4.89 118.68 124.72 2whh s LEU 1038Ca 0.35 -0.42 -0.09 0.00 -0.22 0.00 0.00 54.13 53.75 2whh s LEU 1038Cb -0.13 -0.79 -0.06 0.00 0.50 0.00 0.00 46.19 45.71 2whh s LEU 1038CO 0.17 0.13 0.73 -2.16 -1.32 0.00 0.00 176.35 173.90 2whh s PRO 1039N -0.88 3.75 0.00 0.98 0.04 -1.26 -5.00 135.00 132.62 2whh s PRO 1039Ca 0.05 0.38 0.00 0.00 0.04 0.00 0.00 61.00 61.46 2whh s PRO 1039Cb -0.08 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 32.03 2whh s PRO 1039CO 0.01 0.01 0.00 0.41 0.04 0.00 0.00 177.00 177.47 2whh n GLY 1040N -1.24 -2.88 3.86 0.56 0.00 -1.26 -5.01 105.19 99.21 2whh n GLY 1040Ca 0.02 -2.10 -0.31 0.00 0.00 0.00 0.00 46.02 43.62 2whh n GLY 1040CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2whh s ARG 1041N -0.51 3.89 0.17 1.61 3.52 -1.26 -5.09 118.95 121.28 2whh s ARG 1041Ca 0.00 0.75 -0.07 0.00 -0.13 0.00 0.00 55.73 56.28 2whh s ARG 1041Cb 0.00 -2.25 -0.02 0.00 -1.56 0.00 0.00 34.95 31.12 2whh s ARG 1041CO 0.00 -0.15 0.23 1.67 -0.81 0.00 0.00 175.30 176.25 2whh s TRP 1042N -2.48 0.58 -0.03 5.12 1.48 -1.26 -4.70 118.94 117.66 2whh s TRP 1042Ca 0.56 -0.93 0.03 0.00 -1.06 0.00 0.00 56.10 54.70 2whh s TRP 1042Cb -0.10 -0.18 -0.00 0.00 -1.16 0.00 0.00 33.47 32.02 2whh s TRP 1042CO 0.30 -0.69 -0.12 0.15 -4.06 0.00 0.00 176.95 172.53 2whh s LYS 1043N -4.01 1.18 0.40 3.25 1.02 -0.71 -4.89 119.74 115.98 2whh s LYS 1043Ca 0.22 -0.42 -0.27 0.00 0.02 0.00 0.00 55.97 55.51 2whh s LYS 1043Cb 0.04 -1.08 -0.10 0.00 -0.52 0.00 0.00 37.83 36.17 2whh s LYS 1043CO 0.03 0.19 1.48 -2.14 -0.92 0.00 0.00 175.35 173.99 2whh s PRO 1044N 0.01 4.00 0.07 -1.68 0.02 -1.26 -0.26 135.00 135.89 2whh s PRO 1044Ca -0.01 2.55 -0.26 0.00 0.02 0.00 0.00 61.00 63.30 2whh s PRO 1044Cb -0.08 -2.89 0.07 0.00 0.02 0.00 0.00 34.50 31.62 2whh s PRO 1044CO 0.01 -0.62 0.66 0.21 -0.33 0.00 0.00 177.00 176.93 2whh s LYS 1045N -2.19 1.15 -0.01 5.54 2.20 -0.77 -4.85 119.74 120.81 2whh s LYS 1045Ca 0.55 -0.19 0.07 0.00 -0.36 0.00 0.00 55.97 56.04 2whh s LYS 1045Cb -0.46 0.54 -0.02 0.00 -1.51 0.00 0.00 37.83 36.38 2whh s LYS 1045CO 0.62 -0.46 -0.22 -1.64 -0.36 0.00 0.00 175.35 173.29 2whh s MET 1046N -2.75 1.74 0.09 4.03 -1.94 -1.26 -0.08 119.30 119.12 2whh s MET 1046Ca -0.03 -0.81 0.04 0.00 -1.71 0.00 0.00 55.69 53.18 2whh s MET 1046Cb -0.01 -1.71 -0.03 0.00 2.01 0.00 0.00 34.83 35.09 2whh s MET 1046CO -0.04 0.46 -0.10 0.96 -0.01 0.00 0.00 175.02 176.29 2whh s ILE 1047N -0.55 0.92 0.24 2.53 -4.36 -0.61 -4.98 121.20 114.39 2whh s ILE 1047Ca 0.08 -1.52 0.08 0.00 -0.26 0.00 0.00 60.65 59.03 2whh s ILE 1047Cb -0.08 -1.23 -0.04 0.00 1.25 0.00 0.00 42.46 42.36 2whh s ILE 1047CO -0.01 -0.49 0.06 -0.83 0.24 0.00 0.00 174.94 173.92 2whh s GLY 1048N -2.23 1.59 0.13 6.27 0.00 -1.26 -1.48 107.32 110.34 2whh s GLY 1048Ca 0.02 -1.51 -0.02 0.00 0.00 0.00 0.00 44.72 43.22 2whh s GLY 1048CO 0.00 -1.56 0.20 0.61 0.00 0.00 0.00 173.10 172.35 2whh n GLY 1049N -0.81 2.54 0.37 0.20 0.00 0.06 -4.99 105.19 102.56 2whh n GLY 1049Ca -0.08 -1.39 0.19 0.00 0.00 0.00 0.00 46.02 44.75 2whh n GLY 1049CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2whh h ILE 1050N 1.36 0.49 -0.11 -0.61 2.10 -1.88 -2.65 117.51 116.21 2whh h ILE 1050Ca -0.10 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.84 2whh h ILE 1050Cb 0.43 0.73 0.00 0.00 -1.09 0.00 0.00 36.82 36.89 2whh h ILE 1050CO 0.14 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 177.82 2whh n GLY 1051N -1.49 0.54 0.00 8.18 0.00 -0.87 -4.72 105.19 106.83 2whh n GLY 1051Ca 0.06 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2whh n GLY 1051CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2whh n GLY 1052N 0.80 0.46 3.27 -0.02 0.00 -1.00 -3.98 105.19 104.72 2whh n GLY 1052Ca 0.10 -1.27 -0.15 0.00 0.00 0.00 0.00 46.02 44.70 2whh n GLY 1052CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2whh s PHE 1053N -3.87 1.34 0.05 1.61 0.40 -1.26 -0.76 117.98 115.48 2whh s PHE 1053Ca 0.00 -0.79 0.01 0.00 -0.60 0.00 0.00 56.93 55.55 2whh s PHE 1053Cb 0.00 -0.70 -0.03 0.00 0.51 0.00 0.00 43.02 42.80 2whh s PHE 1053CO 0.00 0.07 -0.05 0.96 0.70 0.00 0.00 175.22 176.90 2whh s ILE 1054N -3.34 0.36 -0.06 0.64 -4.36 -0.55 -4.56 121.20 109.33 2whh s ILE 1054Ca 0.19 -1.38 -0.14 0.00 -0.26 0.00 0.00 60.65 59.07 2whh s ILE 1054Cb 0.03 -0.94 -0.05 0.00 1.25 0.00 0.00 42.46 42.75 2whh s ILE 1054CO 0.02 -0.67 0.36 -0.54 0.24 0.00 0.00 174.94 174.35 2whh s LYS 1055N -2.57 3.96 0.25 0.37 1.02 -1.26 -1.58 119.74 119.95 2whh s LYS 1055Ca -0.03 0.28 0.01 0.00 0.02 0.00 0.00 55.97 56.25 2whh s LYS 1055Cb -0.03 -3.28 -0.05 0.00 -0.52 0.00 0.00 37.83 33.96 2whh s LYS 1055CO -0.04 0.56 0.11 0.14 -0.92 0.00 0.00 175.35 175.20 2whh s VAL 1056N -0.58 0.41 -0.18 3.17 -7.23 0.88 -4.39 120.40 112.48 2whh s VAL 1056Ca 0.21 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.31 2whh s VAL 1056Cb -0.15 -2.59 -0.04 0.00 0.56 0.00 0.00 36.38 34.16 2whh s VAL 1056CO 0.10 0.00 0.05 -0.13 -0.31 0.00 0.00 175.10 174.81 2whh s ARG 1057N -4.03 3.93 -0.35 4.82 0.52 0.62 -1.85 118.95 122.62 2whh s ARG 1057Ca 0.38 -0.37 -0.13 0.00 -0.52 0.00 0.00 55.73 55.09 2whh s ARG 1057Cb 0.07 -3.18 -0.01 0.00 0.52 0.00 0.00 34.95 32.36 2whh s ARG 1057CO 0.14 0.27 0.24 -1.14 0.02 0.00 0.00 175.30 174.82 2whh s GLN 1058N 0.38 3.40 -0.17 3.54 0.74 0.64 -0.91 119.66 127.28 2whh s GLN 1058Ca 0.02 -0.71 -0.05 0.00 0.05 0.00 0.00 55.36 54.67 2whh s GLN 1058Cb -0.13 -3.80 -0.03 0.00 1.10 0.00 0.00 33.01 30.15 2whh s GLN 1058CO 0.01 -0.48 0.00 0.71 -0.55 0.00 0.00 175.29 174.97 2whh s TYR 1059N 1.70 3.11 0.35 1.67 1.51 -0.65 -1.73 117.35 123.31 2whh s TYR 1059Ca 0.06 -0.15 0.07 0.00 -1.01 0.00 0.00 57.07 56.04 2whh s TYR 1059Cb -0.18 -2.01 -0.02 0.00 -0.11 0.00 0.00 41.96 39.65 2whh s TYR 1059CO 0.10 0.04 0.37 -0.51 -1.11 0.00 0.00 175.55 174.44 2whh s ASP 1060N 0.36 5.50 -1.51 2.29 1.01 -1.26 -0.73 116.67 122.33 2whh s ASP 1060Ca -0.01 -0.42 -0.09 0.00 0.71 0.00 0.00 52.55 52.73 2whh s ASP 1060Cb -0.13 -0.99 0.07 0.00 1.01 0.00 0.00 42.92 42.88 2whh s ASP 1060CO 0.02 -0.44 0.75 0.00 0.21 0.00 0.00 175.17 175.71 2whh n GLN 1061N -1.51 -4.26 -3.48 8.23 1.13 -1.19 -4.89 117.38 111.40 2whh n GLN 1061Ca -0.00 0.49 -0.37 0.00 -1.94 0.00 0.00 57.00 55.18 2whh n GLN 1061Cb 0.59 -5.10 -0.07 0.00 0.11 0.00 0.00 30.24 25.78 2whh n GLN 1061CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2whh s ILE 1062N -3.52 5.24 -0.06 5.09 -1.09 0.07 -4.76 121.20 122.17 2whh s ILE 1062Ca 0.41 0.69 -0.21 0.00 -2.23 0.00 0.00 60.65 59.30 2whh s ILE 1062Cb -0.21 -3.69 -0.04 0.00 -1.58 0.00 0.00 42.46 36.94 2whh s ILE 1062CO 0.87 0.41 0.62 -0.22 -1.23 0.00 0.00 174.94 175.39 2whh s LEU 1063N 0.24 4.34 -0.00 2.97 2.96 -1.26 -1.51 118.68 126.41 2whh s LEU 1063Ca 0.20 1.10 0.02 0.00 -0.22 0.00 0.00 54.13 55.24 2whh s LEU 1063Cb -0.14 -2.95 -0.01 0.00 0.50 0.00 0.00 46.19 43.59 2whh s LEU 1063CO 0.07 -0.02 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.37 2whh s ILE 1064N 0.45 0.58 -0.28 6.68 1.01 0.02 -4.42 121.20 125.24 2whh s ILE 1064Ca 0.33 -0.35 -0.07 0.00 0.00 0.00 0.00 60.65 60.56 2whh s ILE 1064Cb -0.17 -0.50 -0.01 0.00 0.01 0.00 0.00 42.46 41.79 2whh s ILE 1064CO 0.16 0.14 0.08 -1.61 0.00 0.00 0.00 174.94 173.72 2whh s GLU 1065N -0.24 3.33 -0.33 2.79 2.02 -0.10 -1.14 118.70 125.03 2whh s GLU 1065Ca 0.02 -0.70 -0.09 0.00 0.02 0.00 0.00 54.97 54.23 2whh s GLU 1065Cb -0.03 -3.37 0.01 0.00 0.10 0.00 0.00 34.13 30.84 2whh s GLU 1065CO -0.00 -0.35 0.14 0.42 0.02 0.00 0.00 175.26 175.49 2whh s ILE 1066N 1.56 4.27 -1.28 -1.63 1.01 0.15 -1.07 121.20 124.20 2whh s ILE 1066Ca 0.04 -0.73 -0.09 0.00 0.00 0.00 0.00 60.65 59.87 2whh s ILE 1066Cb -0.16 -3.27 0.07 0.00 0.01 0.00 0.00 42.46 39.11 2whh s ILE 1066CO 0.03 -0.05 0.49 0.00 0.00 0.00 0.00 174.94 175.41 2whh n GLY 1068N -1.17 1.77 3.71 0.00 0.00 -1.26 -5.04 105.19 103.20 2whh n GLY 1068Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 2whh n GLY 1068CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2whh s HIS 1069N -2.34 3.44 0.17 1.61 4.02 0.67 -5.03 115.29 117.83 2whh s HIS 1069Ca 0.00 0.62 -0.23 0.00 1.02 0.00 0.00 55.06 56.47 2whh s HIS 1069Cb 0.00 -2.41 -0.08 0.00 -1.02 0.00 0.00 32.58 29.07 2whh s HIS 1069CO 0.00 0.16 0.74 0.15 1.02 0.00 0.00 174.74 176.81 2whh s LYS 1070N 0.72 4.42 0.01 1.40 1.02 -1.26 0.32 119.74 126.37 2whh s LYS 1070Ca 0.18 1.02 -0.10 0.00 0.02 0.00 0.00 55.97 57.09 2whh s LYS 1070Cb -0.14 -3.13 0.01 0.00 -0.52 0.00 0.00 37.83 34.05 2whh s LYS 1070CO 0.06 0.52 0.20 0.00 -0.92 0.00 0.00 175.35 175.20 2whh s ALA 1071N -1.27 -0.44 -0.06 5.17 0.00 -0.30 -4.83 121.76 120.04 2whh s ALA 1071Ca 0.37 -0.10 0.02 0.00 0.00 0.00 0.00 51.96 52.26 2whh s ALA 1071Cb -0.21 0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.10 2whh s ALA 1071CO 0.24 -0.28 -0.11 0.42 0.00 0.00 0.00 175.76 176.03 2whh s ILE 1072N -1.84 1.00 0.00 0.00 1.01 -1.26 -0.80 121.20 119.31 2whh s ILE 1072Ca -0.11 -0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.14 2whh s ILE 1072Cb -0.05 -0.93 0.00 0.00 0.01 0.00 0.00 42.46 41.49 2whh s ILE 1072CO 0.00 0.32 0.00 0.61 0.00 0.00 0.00 174.94 175.88 2whh n GLY 1073N 3.84 0.55 3.73 6.18 0.00 -0.57 -4.87 105.19 114.05 2whh n GLY 1073Ca -0.23 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.62 2whh n GLY 1073CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2whh s THR 1074N -2.05 4.33 -0.08 2.61 2.01 -1.26 -0.75 115.64 120.45 2whh s THR 1074Ca 0.00 1.94 0.01 0.00 0.31 0.00 0.00 61.69 63.95 2whh s THR 1074Cb 0.00 -4.24 0.02 0.00 0.01 0.00 0.00 72.50 68.29 2whh s THR 1074CO 0.00 0.30 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.45 2whh s VAL 1075N -0.03 1.00 -0.09 3.82 1.01 0.09 -4.47 120.40 121.73 2whh s VAL 1075Ca 0.48 -0.36 -0.09 0.00 0.00 0.00 0.00 61.98 62.02 2whh s VAL 1075Cb -0.25 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 2whh s VAL 1075CO 0.31 0.34 0.20 -0.76 0.00 0.00 0.00 175.10 175.19 2whh s LEU 1076N 1.03 4.41 -0.12 3.92 1.43 0.10 -1.64 118.68 127.81 2whh s LEU 1076Ca -0.08 0.58 0.02 0.00 -1.03 0.00 0.00 54.13 53.62 2whh s LEU 1076Cb -0.15 -2.21 0.01 0.00 0.03 0.00 0.00 46.19 43.87 2whh s LEU 1076CO -0.00 0.38 -0.18 -0.69 0.23 0.00 0.00 176.35 176.09 2whh s VAL 1077N -1.06 1.71 0.00 -1.59 1.01 -0.09 -0.04 120.40 120.35 2whh s VAL 1077Ca 0.18 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.38 2whh s VAL 1077Cb -0.13 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.71 2whh s VAL 1077CO 0.07 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.26 2whh n GLY 1078N 4.12 0.55 2.24 4.51 0.00 -0.71 -0.28 105.19 115.62 2whh n GLY 1078Ca -0.19 -0.79 -0.06 0.00 0.00 0.00 0.00 46.02 44.98 2whh n GLY 1078CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2whh n PRO 1079N 0.00 0.98 -2.95 1.61 -0.04 -1.26 -3.45 135.00 129.88 2whh n PRO 1079Ca 0.00 -0.48 -0.37 0.00 -0.04 0.00 0.00 63.50 62.60 2whh n PRO 1079Cb 0.00 -1.74 -0.06 0.00 -0.04 0.00 0.00 33.50 31.66 2whh n PRO 1079CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2whh s THR 1080N 1.98 4.38 0.10 0.52 -1.32 -1.26 -4.81 115.64 115.23 2whh s THR 1080Ca 0.32 1.59 0.30 0.00 -1.21 0.00 0.00 61.69 62.69 2whh s THR 1080Cb 0.15 -3.99 0.33 0.00 -1.51 0.00 0.00 72.50 67.49 2whh s THR 1080CO 0.00 0.27 1.92 1.55 -2.21 0.00 0.00 174.62 176.15 2whh h PRO 1081N 3.58 0.00 -3.41 7.08 0.13 -1.90 -3.43 132.00 134.05 2whh h PRO 1081Ca -0.47 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.50 2whh h PRO 1081Cb 1.20 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.10 2whh h PRO 1081CO 0.65 0.08 -0.49 0.08 -0.23 0.00 0.00 178.00 178.10 2whh s VAL 1082N -3.66 0.05 0.08 1.56 1.01 -1.26 -5.06 120.40 113.12 2whh s VAL 1082Ca 0.01 -0.42 -0.31 0.00 0.00 0.00 0.00 61.98 61.27 2whh s VAL 1082Cb 0.09 -0.37 -0.07 0.00 0.00 0.00 0.00 36.38 36.03 2whh s VAL 1082CO 0.58 -0.23 1.29 0.20 0.00 0.00 0.00 175.10 176.94 2whh s ASN 1083N -0.82 6.96 -0.03 3.32 0.01 -1.26 -4.73 114.94 118.39 2whh s ASN 1083Ca -0.09 2.15 0.04 0.00 -0.71 0.00 0.00 52.86 54.25 2whh s ASN 1083Cb -0.05 -2.58 -0.00 0.00 0.41 0.00 0.00 41.25 39.02 2whh s ASN 1083CO 0.01 -0.56 -0.14 0.27 -1.51 0.00 0.00 177.10 175.17 2whh s ILE 1084N 1.18 1.15 -0.34 0.60 -4.36 0.10 -0.93 121.20 118.60 2whh s ILE 1084Ca 0.61 -0.58 -0.11 0.00 -0.26 0.00 0.00 60.65 60.31 2whh s ILE 1084Cb -0.33 -0.98 0.00 0.00 1.25 0.00 0.00 42.46 42.40 2whh s ILE 1084CO 0.29 0.33 0.19 -0.63 0.24 0.00 0.00 174.94 175.37 2whh s ILE 1085N -0.05 4.77 0.71 8.37 -1.09 0.48 -1.43 121.20 132.96 2whh s ILE 1085Ca -0.00 -0.50 0.02 0.00 -2.23 0.00 0.00 60.65 57.94 2whh s ILE 1085Cb -0.09 -3.51 0.13 0.00 -1.58 0.00 0.00 42.46 37.42 2whh s ILE 1085CO 0.01 -0.04 0.97 -0.83 -1.23 0.00 0.00 174.94 173.82 2whh s GLY 1086N 1.62 1.74 0.55 6.18 0.00 -1.17 -1.26 107.32 114.98 2whh s GLY 1086Ca 0.04 -1.92 0.23 0.00 0.00 0.00 0.00 44.72 43.08 2whh s GLY 1086CO 0.07 -1.33 2.10 3.21 0.00 0.00 0.00 173.10 177.15 2whh h ARG 1087N -0.43 0.00 -0.11 2.90 3.08 -0.94 -0.53 114.38 118.36 2whh h ARG 1087Ca -0.33 0.00 0.02 0.00 0.07 0.00 0.00 59.98 59.73 2whh h ARG 1087Cb 1.27 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.31 2whh h ARG 1087CO 0.38 0.00 0.07 -2.95 -1.07 0.00 0.00 179.97 176.41 2whh h ASN 1088N 0.00 0.06 0.00 7.04 -1.07 -1.75 -2.31 115.58 117.54 2whh h ASN 1088Ca 0.10 -0.00 -0.31 0.00 0.07 0.00 0.00 56.30 56.15 2whh h ASN 1088Cb 0.43 -0.01 -0.06 0.00 -2.07 0.00 0.00 38.32 36.60 2whh h ASN 1088CO -0.00 0.04 -2.18 0.18 0.07 0.00 0.00 177.43 175.54 2whh n LEU 1089N -4.52 0.21 -0.06 6.14 4.77 -0.61 -4.47 117.00 118.46 2whh n LEU 1089Ca -0.01 -0.01 0.05 0.00 -0.03 0.00 0.00 56.01 56.02 2whh n LEU 1089Cb 0.14 0.34 0.41 0.00 -2.33 0.00 0.00 43.42 41.98 2whh n LEU 1089CO 0.34 0.45 1.18 -0.07 -1.33 0.00 0.00 177.39 177.97 2whh h LEU 1090N 0.00 0.52 -1.40 2.23 3.38 -0.89 -1.33 115.31 117.82 2whh h LEU 1090Ca -0.47 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.43 2whh h LEU 1090Cb 2.03 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.65 2whh h LEU 1090CO 0.02 0.37 -0.30 0.71 0.09 0.00 0.00 178.44 179.32 2whh h THR 1091N 0.61 1.14 0.00 0.22 1.35 -1.64 -2.02 112.91 112.57 2whh h THR 1091Ca 0.21 -1.06 -0.03 0.00 -0.55 0.00 0.00 66.41 64.97 2whh h THR 1091Cb 0.07 1.58 -0.00 0.00 -1.73 0.00 0.00 68.15 68.07 2whh h THR 1091CO -0.05 0.30 -0.16 1.56 -0.25 0.00 0.00 175.52 176.91 2whh h GLN 1092N 0.00 0.00 -0.52 4.72 4.20 -1.47 -2.56 115.11 119.48 2whh h GLN 1092Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2whh h GLN 1092Cb 0.56 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.34 2whh h GLN 1092CO 0.04 0.16 0.00 0.44 -0.67 0.00 0.00 178.83 178.80 2whh n ILE 1093N -3.25 2.18 -3.69 2.54 -5.35 -1.11 -4.94 119.36 105.74 2whh n ILE 1093Ca 0.01 -1.40 -0.24 0.00 -0.27 0.00 0.00 62.75 60.85 2whh n ILE 1093Cb 0.45 -0.06 0.05 0.00 -1.74 0.00 0.00 39.64 38.35 2whh n ILE 1093CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2whh n GLY 1094N 0.56 -0.44 3.74 3.28 0.00 -0.96 -4.73 105.19 106.63 2whh n GLY 1094Ca 0.24 0.18 -0.40 0.00 0.00 0.00 0.00 46.02 46.04 2whh n GLY 1094CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2whh s ALA 1095N -3.40 3.31 0.09 4.61 0.00 -0.78 -4.22 121.76 121.37 2whh s ALA 1095Ca 0.37 0.63 0.05 0.00 0.00 0.00 0.00 51.96 53.02 2whh s ALA 1095Cb -0.18 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 2whh s ALA 1095CO 0.78 0.08 -0.14 0.95 0.00 0.00 0.00 175.76 177.43 2whh s THR 1096N -0.68 1.19 -0.20 0.00 -4.23 0.27 -4.15 115.64 107.84 2whh s THR 1096Ca 0.44 -1.50 -0.06 0.00 -1.18 0.00 0.00 61.69 59.39 2whh s THR 1096Cb -0.25 -1.28 -0.03 0.00 1.34 0.00 0.00 72.50 72.27 2whh s THR 1096CO 0.32 -0.32 0.03 -0.22 -0.54 0.00 0.00 174.62 173.88 2whh s LEU 1097N -2.07 3.45 -0.08 4.79 2.96 0.13 0.34 118.68 128.20 2whh s LEU 1097Ca 0.03 -0.11 0.03 0.00 -0.22 0.00 0.00 54.13 53.86 2whh s LEU 1097Cb -0.07 -1.88 0.01 0.00 0.50 0.00 0.00 46.19 44.75 2whh s LEU 1097CO 0.02 0.09 -0.17 0.20 -1.32 0.00 0.00 176.35 175.18 2whh s ASN 1098N 0.84 2.34 0.00 3.68 -0.87 0.96 0.72 114.94 122.61 2whh s ASN 1098Ca 0.02 -0.41 0.00 0.00 -1.57 0.00 0.00 52.86 50.90 2whh s ASN 1098Cb -0.14 -1.08 0.00 0.00 -0.02 0.00 0.00 41.25 40.01 2whh s ASN 1098CO 0.02 0.08 0.00 2.22 -2.57 0.00 0.00 177.10 176.85