#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k82 n GLU 2 N 0.00 1.96 0.02 -0.52 1.02 -1.26 -4.85 120.64 117.01 1k82 n GLU 2 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 1k82 n GLU 2 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.38 1k82 n GLU 2 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1k82 h LEU 3 N 0.00 -0.73 -1.34 -4.62 6.46 -1.75 -0.54 115.31 112.80 1k82 h LEU 3 Ca 0.00 0.11 0.07 0.00 -0.12 0.00 0.00 57.88 57.94 1k82 h LEU 3 Cb 0.00 0.32 -0.05 0.00 -0.73 0.00 0.00 40.66 40.20 1k82 h LEU 3 CO 0.00 -0.29 0.50 -0.65 -0.62 0.00 0.00 178.44 177.38 1k82 h PRO 4 N -0.33 0.77 -0.09 5.25 0.11 -1.86 0.52 132.00 136.37 1k82 h PRO 4 Ca 0.09 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.05 1k82 h PRO 4 Cb 0.45 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.39 1k82 h PRO 4 CO -0.28 0.51 -0.34 0.93 -0.21 0.00 0.00 178.00 178.61 1k82 h GLU 5 N 0.79 0.39 -0.30 1.05 3.07 -1.72 -1.30 114.58 116.56 1k82 h GLU 5 Ca 0.34 -0.30 -0.09 0.00 -0.50 0.00 0.00 59.36 58.81 1k82 h GLU 5 Cb 0.30 0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.25 1k82 h GLU 5 CO -0.12 0.93 -0.19 0.28 -1.40 0.00 0.00 179.01 178.51 1k82 h VAL 6 N -0.07 1.25 -0.24 3.13 2.07 -0.76 -1.29 116.25 120.34 1k82 h VAL 6 Ca -0.02 -1.17 -0.13 0.00 0.82 0.00 0.00 66.70 66.20 1k82 h VAL 6 Cb 0.98 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 1k82 h VAL 6 CO 0.07 0.38 -0.41 -0.08 0.02 0.00 0.00 177.57 177.55 1k82 h GLU 7 N 0.48 0.57 -0.32 1.57 4.57 0.11 -0.63 114.58 120.93 1k82 h GLU 7 Ca 0.08 -0.29 -0.05 0.00 -1.18 0.00 0.00 59.36 57.91 1k82 h GLU 7 Cb 0.60 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.18 1k82 h GLU 7 CO 0.04 0.88 -0.01 1.15 -1.18 0.00 0.00 179.01 179.89 1k82 h THR 8 N 0.46 1.26 -0.95 0.32 2.02 -0.90 -0.08 112.91 115.04 1k82 h THR 8 Ca 0.04 -0.98 0.07 0.00 0.77 0.00 0.00 66.41 66.31 1k82 h THR 8 Cb 0.92 1.26 -0.06 0.00 -1.74 0.00 0.00 68.15 68.52 1k82 h THR 8 CO 0.08 0.32 0.62 0.28 0.37 0.00 0.00 175.52 177.19 1k82 h SER 9 N 0.37 0.96 -0.33 4.18 0.02 -1.04 0.09 113.55 117.79 1k82 h SER 9 Ca 0.09 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1k82 h SER 9 Cb 0.46 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 1k82 h SER 9 CO 0.02 0.61 0.17 -0.09 -1.14 0.00 0.00 176.83 176.40 1k82 h ARG 10 N 1.09 0.47 -0.49 3.45 2.43 -0.54 -1.43 114.38 119.37 1k82 h ARG 10 Ca 0.41 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.43 1k82 h ARG 10 Cb 0.20 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 1k82 h ARG 10 CO -0.16 0.42 -0.03 0.00 -1.51 0.00 0.00 179.97 178.69 1k82 h ARG 11 N 0.40 0.84 -0.00 0.20 3.08 -0.31 -1.71 114.38 116.88 1k82 h ARG 11 Ca 0.11 -0.25 -0.17 0.00 0.07 0.00 0.00 59.98 59.75 1k82 h ARG 11 Cb 0.10 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1k82 h ARG 11 CO -0.02 0.86 -0.79 0.78 -1.07 0.00 0.00 179.97 179.73 1k82 h GLY 12 N 0.98 0.07 1.09 0.04 0.00 -0.78 -3.28 103.07 101.20 1k82 h GLY 12 Ca 0.14 -0.12 -0.23 0.00 0.00 0.00 0.00 47.33 47.13 1k82 h GLY 12 CO 0.03 0.10 -1.48 0.16 0.00 0.00 0.00 176.54 175.35 1k82 h ILE 13 N 0.04 0.75 -0.73 2.60 3.07 -1.17 -3.39 117.51 118.67 1k82 h ILE 13 Ca -0.02 -2.42 0.12 0.00 1.55 0.00 0.00 64.86 64.10 1k82 h ILE 13 Cb 1.39 2.28 -0.13 0.00 -0.27 0.00 0.00 36.82 40.09 1k82 h ILE 13 CO 0.11 0.43 -0.34 -0.08 -1.05 0.00 0.00 178.15 177.22 1k82 h GLU 14 N 0.00 -0.09 0.00 0.16 4.81 -1.36 0.15 114.58 118.24 1k82 h GLU 14 Ca -0.20 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.02 1k82 h GLU 14 Cb 1.79 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 31.19 1k82 h GLU 14 CO 0.07 -0.06 -0.08 -1.00 -0.73 0.00 0.00 179.01 177.21 1k82 h PRO 15 N -0.10 0.00 0.00 0.92 0.13 -1.76 -2.21 132.00 128.99 1k82 h PRO 15 Ca 0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.41 1k82 h PRO 15 Cb 0.57 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.70 1k82 h PRO 15 CO -0.78 0.08 -0.78 0.72 -0.23 0.00 0.00 178.00 177.00 1k82 n HIS 16 N -3.56 0.10 -0.07 1.56 8.25 0.45 -4.48 115.22 117.46 1k82 n HIS 16 Ca -0.02 0.03 -0.10 0.00 -0.26 0.00 0.00 57.72 57.37 1k82 n HIS 16 Cb 0.20 -0.26 -0.06 0.00 1.12 0.00 0.00 29.99 30.99 1k82 n HIS 16 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1k82 n LEU 17 N -1.66 2.63 -4.73 2.41 4.77 -0.70 -4.78 117.00 114.94 1k82 n LEU 17 Ca 0.04 -0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.58 1k82 n LEU 17 Cb 0.37 -0.46 -0.02 0.00 -2.33 0.00 0.00 43.42 40.98 1k82 n LEU 17 CO 0.38 0.65 1.32 -0.69 -1.33 0.00 0.00 177.39 177.72 1k82 s VAL 18 N -2.26 2.04 0.00 4.08 1.01 -0.87 -0.90 120.40 123.49 1k82 s VAL 18 Ca -0.18 0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.83 1k82 s VAL 18 Cb 0.05 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.41 1k82 s VAL 18 CO 0.30 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.01 1k82 n GLY 19 N 3.19 0.48 3.78 4.51 0.00 -0.77 -4.97 105.19 111.41 1k82 n GLY 19 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 1k82 n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k82 s ALA 20 N -1.99 3.75 -0.02 4.61 0.00 -0.08 -4.99 121.76 123.04 1k82 s ALA 20 Ca 0.00 -2.02 0.07 0.00 0.00 0.00 0.00 51.96 50.01 1k82 s ALA 20 Cb 0.00 -0.58 -0.02 0.00 0.00 0.00 0.00 23.12 22.52 1k82 s ALA 20 CO 0.00 -0.19 -0.24 0.99 0.00 0.00 0.00 175.76 176.32 1k82 s THR 21 N -2.57 1.87 -0.56 0.00 2.01 -1.26 -1.80 115.64 113.33 1k82 s THR 21 Ca 0.43 -1.01 -0.27 0.00 0.31 0.00 0.00 61.69 61.15 1k82 s THR 21 Cb 0.02 -1.55 0.03 0.00 0.01 0.00 0.00 72.50 71.01 1k82 s THR 21 CO 0.24 0.53 1.13 -0.63 -0.69 0.00 0.00 174.62 175.20 1k82 s ILE 22 N -0.51 4.11 0.07 1.82 1.01 0.15 0.76 121.20 128.62 1k82 s ILE 22 Ca 0.08 0.80 -0.23 0.00 0.00 0.00 0.00 60.65 61.30 1k82 s ILE 22 Cb -0.10 -4.68 -0.15 0.00 0.01 0.00 0.00 42.46 37.55 1k82 s ILE 22 CO -0.00 -1.26 1.62 -0.07 0.00 0.00 0.00 174.94 175.23 1k82 h LEU 23 N 11.66 0.04 -7.48 2.97 3.38 -0.90 0.14 115.31 125.12 1k82 h LEU 23 Ca -0.25 -0.13 0.24 0.00 0.09 0.00 0.00 57.88 57.84 1k82 h LEU 23 Cb 1.06 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.70 1k82 h LEU 23 CO 1.16 0.15 0.64 -1.38 0.09 0.00 0.00 178.44 179.10 1k82 s HIS 24 N -5.69 -0.09 -0.03 1.13 -3.43 -1.21 -1.69 115.29 104.28 1k82 s HIS 24 Ca -0.14 -0.13 -0.00 0.00 -0.80 0.00 0.00 55.06 53.99 1k82 s HIS 24 Cb 0.05 0.60 -0.04 0.00 -1.43 0.00 0.00 32.58 31.77 1k82 s HIS 24 CO 0.67 -0.59 0.03 0.00 -2.00 0.00 0.00 174.74 172.86 1k82 s ALA 25 N -2.89 3.41 -0.41 -1.38 0.00 -1.26 -2.03 121.76 117.21 1k82 s ALA 25 Ca 0.13 -0.87 -0.06 0.00 0.00 0.00 0.00 51.96 51.16 1k82 s ALA 25 Cb 0.01 -1.49 0.09 0.00 0.00 0.00 0.00 23.12 21.74 1k82 s ALA 25 CO -0.00 0.64 0.22 0.08 0.00 0.00 0.00 175.76 176.70 1k82 s VAL 26 N -1.07 3.69 -0.42 0.00 1.01 -0.28 -4.97 120.40 118.36 1k82 s VAL 26 Ca 0.19 -1.72 -0.15 0.00 0.00 0.00 0.00 61.98 60.30 1k82 s VAL 26 Cb -0.12 -3.37 0.03 0.00 0.00 0.00 0.00 36.38 32.92 1k82 s VAL 26 CO 0.09 -0.57 0.31 -0.69 0.00 0.00 0.00 175.10 174.24 1k82 s VAL 27 N 1.28 5.17 -0.82 2.92 1.01 -1.26 -1.28 120.40 127.41 1k82 s VAL 27 Ca 0.05 -0.79 0.21 0.00 0.00 0.00 0.00 61.98 61.44 1k82 s VAL 27 Cb -0.23 -3.94 -0.25 0.00 0.00 0.00 0.00 36.38 31.96 1k82 s VAL 27 CO -0.01 -0.37 0.82 0.54 0.00 0.00 0.00 175.10 176.08 1k82 n ARG 28 N 5.15 0.13 -3.41 2.72 1.74 0.94 -4.78 116.66 119.15 1k82 n ARG 28 Ca -0.11 -0.04 -0.08 0.00 -0.77 0.00 0.00 57.85 56.85 1k82 n ARG 28 Cb 0.46 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 30.32 1k82 n ARG 28 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1k82 s ASN 29 N -3.27 -0.02 -0.04 0.55 3.84 -1.18 -4.99 114.94 109.83 1k82 s ASN 29 Ca 0.05 0.47 0.15 0.00 0.21 0.00 0.00 52.86 53.74 1k82 s ASN 29 Cb 0.16 1.26 0.49 0.00 -0.55 0.00 0.00 41.25 42.61 1k82 s ASN 29 CO 0.88 -0.28 1.39 0.61 -2.79 0.00 0.00 177.10 176.90 1k82 n GLY 30 N 5.38 1.73 2.81 1.21 0.00 -1.26 -4.65 105.19 110.41 1k82 n GLY 30 Ca -0.05 -0.59 -0.38 0.00 0.00 0.00 0.00 46.02 45.00 1k82 n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k82 n ARG 31 N 0.89 3.99 0.00 1.61 1.74 -1.26 -1.52 116.66 122.12 1k82 n ARG 31 Ca 0.18 -4.61 0.00 0.00 -0.77 0.00 0.00 57.85 52.65 1k82 n ARG 31 Cb 0.56 -2.43 0.00 0.00 -1.02 0.00 0.00 32.46 29.57 1k82 n ARG 31 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1k82 n LEU 32 N 1.02 0.00 -0.19 0.55 4.32 -1.26 -4.94 117.00 116.50 1k82 n LEU 32 Ca 0.29 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 56.27 1k82 n LEU 32 Cb 0.35 0.00 0.10 0.00 -1.62 0.00 0.00 43.42 42.24 1k82 n LEU 32 CO 0.61 0.00 0.98 -0.09 -1.22 0.00 0.00 177.39 177.68 1k82 h ARG 33 N 0.00 0.39 -5.92 3.23 2.43 -0.34 -3.41 114.38 110.77 1k82 h ARG 33 Ca 0.00 -0.02 -0.59 0.00 -0.81 0.00 0.00 59.98 58.56 1k82 h ARG 33 Cb 0.00 -0.09 -0.11 0.00 -0.42 0.00 0.00 29.97 29.36 1k82 h ARG 33 CO 0.00 0.26 -0.58 -1.58 -1.51 0.00 0.00 179.97 176.55 1k82 s TRP 34 N -6.10 2.56 0.47 2.20 0.51 -1.26 -5.09 118.94 112.22 1k82 s TRP 34 Ca -0.13 -0.52 -0.25 0.00 -2.12 0.00 0.00 56.10 53.08 1k82 s TRP 34 Cb 0.16 -1.67 -0.08 0.00 -0.81 0.00 0.00 33.47 31.08 1k82 s TRP 34 CO 0.74 0.39 1.40 -2.14 -0.51 0.00 0.00 176.95 176.83 1k82 s PRO 35 N -3.77 3.59 0.27 4.98 0.02 -1.26 -4.72 135.00 134.11 1k82 s PRO 35 Ca 0.37 2.35 -0.30 0.00 0.02 0.00 0.00 61.00 63.43 1k82 s PRO 35 Cb 0.03 -2.57 -0.11 0.00 0.02 0.00 0.00 34.50 31.87 1k82 s PRO 35 CO 0.20 -0.87 1.55 0.08 -0.33 0.00 0.00 177.00 177.63 1k82 s VAL 36 N -1.23 2.26 0.52 3.83 1.01 -0.57 -4.84 120.40 121.37 1k82 s VAL 36 Ca 0.63 0.22 -0.23 0.00 0.00 0.00 0.00 61.98 62.60 1k82 s VAL 36 Cb -0.42 -3.14 -0.06 0.00 0.00 0.00 0.00 36.38 32.76 1k82 s VAL 36 CO 0.53 0.03 1.39 -1.20 0.00 0.00 0.00 175.10 175.86 1k82 n SER 37 N 2.34 2.90 -0.20 3.32 7.64 -0.91 -4.87 113.62 123.84 1k82 n SER 37 Ca 0.08 1.02 0.01 0.00 1.01 0.00 0.00 58.87 60.98 1k82 n SER 37 Cb 0.38 -1.59 0.11 0.00 -1.01 0.00 0.00 64.21 62.10 1k82 n SER 37 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1k82 h GLU 38 N 1.66 0.28 -0.29 1.43 4.22 -1.94 0.17 114.58 120.11 1k82 h GLU 38 Ca -0.51 -0.02 0.08 0.00 0.08 0.00 0.00 59.36 59.00 1k82 h GLU 38 Cb 1.29 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1k82 h GLU 38 CO 0.58 0.18 0.29 0.93 -2.18 0.00 0.00 179.01 178.81 1k82 h GLU 39 N 0.29 0.00 -0.28 1.92 3.07 -1.97 0.42 114.58 118.02 1k82 h GLU 39 Ca 0.31 0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 58.99 1k82 h GLU 39 Cb 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 1k82 h GLU 39 CO -0.38 0.00 -0.55 0.82 -1.40 0.00 0.00 179.01 177.50 1k82 h ILE 40 N 0.00 1.28 -0.68 3.13 1.08 -1.00 -2.59 117.51 118.73 1k82 h ILE 40 Ca 0.14 -1.73 0.04 0.00 -0.39 0.00 0.00 64.86 62.91 1k82 h ILE 40 Cb 0.71 1.63 -0.05 0.00 -3.07 0.00 0.00 36.82 36.04 1k82 h ILE 40 CO -0.00 0.56 0.41 1.88 -0.69 0.00 0.00 178.15 180.31 1k82 h TYR 41 N 0.66 0.77 -0.08 1.37 0.05 -0.82 -3.11 116.97 115.80 1k82 h TYR 41 Ca 0.01 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.82 1k82 h TYR 41 Cb 1.15 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 38.64 1k82 h TYR 41 CO 0.07 0.42 0.00 0.54 -1.05 0.00 0.00 178.16 178.14 1k82 n ARG 42 N -4.71 1.38 -1.62 4.88 1.74 -0.86 -4.59 116.66 112.89 1k82 n ARG 42 Ca 0.07 -0.57 -0.49 0.00 -0.77 0.00 0.00 57.85 56.10 1k82 n ARG 42 Cb 0.11 -1.36 -0.04 0.00 -1.02 0.00 0.00 32.46 30.14 1k82 n ARG 42 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1k82 n LEU 43 N -0.22 2.24 -3.55 0.55 4.77 -1.00 -4.98 117.00 114.82 1k82 n LEU 43 Ca 0.16 1.12 -0.16 0.00 -0.03 0.00 0.00 56.01 57.10 1k82 n LEU 43 Cb 0.21 -1.30 -0.13 0.00 -2.33 0.00 0.00 43.42 39.87 1k82 n LEU 43 CO 0.12 -0.82 -0.17 -0.55 -1.33 0.00 0.00 177.39 174.64 1k82 s SER 44 N 0.45 0.92 -1.25 -1.43 0.15 -1.26 -4.06 113.70 107.22 1k82 s SER 44 Ca 0.78 0.11 -0.15 0.00 0.70 0.00 0.00 55.95 57.38 1k82 s SER 44 Cb -0.81 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.03 1k82 s SER 44 CO 0.46 -0.29 0.64 0.47 1.20 0.00 0.00 173.24 175.72 1k82 n ASP 45 N 5.33 -3.34 -4.45 5.45 8.00 0.30 -4.95 116.55 122.90 1k82 n ASP 45 Ca -0.05 -1.05 -0.38 0.00 0.71 0.00 0.00 54.79 54.01 1k82 n ASP 45 Cb 0.50 -3.04 -0.12 0.00 -0.02 0.00 0.00 41.12 38.44 1k82 n ASP 45 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1k82 s GLN 46 N -6.37 3.42 0.29 -1.24 -1.52 -0.04 -4.83 119.66 109.37 1k82 s GLN 46 Ca 0.31 -0.66 -0.29 0.00 -1.95 0.00 0.00 55.36 52.77 1k82 s GLN 46 Cb -0.12 -3.53 -0.10 0.00 -0.22 0.00 0.00 33.01 29.04 1k82 s GLN 46 CO 0.89 -0.36 1.21 -1.25 -0.25 0.00 0.00 175.29 175.52 1k82 s PRO 47 N 1.62 4.49 -0.25 2.91 0.04 -1.26 0.35 135.00 142.90 1k82 s PRO 47 Ca 0.05 2.01 -0.17 0.00 0.04 0.00 0.00 61.00 62.93 1k82 s PRO 47 Cb -0.17 -3.14 -0.03 0.00 0.04 0.00 0.00 34.50 31.21 1k82 s PRO 47 CO 0.06 -0.01 0.49 0.08 0.04 0.00 0.00 177.00 177.66 1k82 s VAL 48 N -1.02 5.10 -0.16 -0.36 1.01 -0.75 -4.31 120.40 119.91 1k82 s VAL 48 Ca 0.48 0.84 0.21 0.00 0.00 0.00 0.00 61.98 63.51 1k82 s VAL 48 Cb -0.36 -3.81 -0.13 0.00 0.00 0.00 0.00 36.38 32.09 1k82 s VAL 48 CO 0.46 0.12 0.81 0.18 0.00 0.00 0.00 175.10 176.67 1k82 n LEU 49 N 5.34 0.60 -3.61 3.92 4.77 0.12 -1.85 117.00 126.30 1k82 n LEU 49 Ca -0.05 0.24 -0.06 0.00 -0.03 0.00 0.00 56.01 56.11 1k82 n LEU 49 Cb 0.50 0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.56 1k82 n LEU 49 CO 0.40 -0.04 0.97 -0.55 -1.33 0.00 0.00 177.39 176.84 1k82 s SER 50 N -5.26 -0.20 -0.26 -1.43 0.15 -1.24 -4.82 113.70 100.64 1k82 s SER 50 Ca -0.03 0.19 0.01 0.00 0.70 0.00 0.00 55.95 56.82 1k82 s SER 50 Cb 0.10 0.17 0.07 0.00 -1.71 0.00 0.00 66.02 64.65 1k82 s SER 50 CO 0.83 -0.20 -0.03 -0.69 1.20 0.00 0.00 173.24 174.34 1k82 s VAL 51 N -1.23 1.62 0.48 4.45 1.01 -1.26 -0.67 120.40 124.81 1k82 s VAL 51 Ca 0.04 -1.41 0.05 0.00 0.00 0.00 0.00 61.98 60.66 1k82 s VAL 51 Cb -0.01 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.42 1k82 s VAL 51 CO -0.03 -0.20 0.21 -1.10 0.00 0.00 0.00 175.10 173.97 1k82 s GLN 52 N 1.33 2.22 0.01 2.72 -0.21 0.11 -4.91 119.66 120.93 1k82 s GLN 52 Ca -0.03 -2.03 0.04 0.00 0.02 0.00 0.00 55.36 53.36 1k82 s GLN 52 Cb -0.19 -1.91 -0.01 0.00 1.00 0.00 0.00 33.01 31.90 1k82 s GLN 52 CO -0.08 -0.33 -0.13 0.50 -2.12 0.00 0.00 175.29 173.13 1k82 s ARG 53 N -4.01 0.97 -0.12 2.91 3.52 -1.26 -0.09 118.95 120.86 1k82 s ARG 53 Ca 0.30 -0.53 -0.01 0.00 -0.13 0.00 0.00 55.73 55.36 1k82 s ARG 53 Cb 0.02 -0.94 0.04 0.00 -1.56 0.00 0.00 34.95 32.50 1k82 s ARG 53 CO 0.17 0.25 -0.02 0.50 -0.81 0.00 0.00 175.30 175.39 1k82 s ARG 54 N -0.55 1.00 7.96 5.12 6.06 -0.53 -4.99 118.95 133.03 1k82 s ARG 54 Ca 0.04 -0.20 0.00 0.00 -2.50 0.00 0.00 55.73 53.07 1k82 s ARG 54 Cb -0.06 -1.53 0.00 0.00 0.06 0.00 0.00 34.95 33.42 1k82 s ARG 54 CO 0.00 -0.38 0.00 0.00 -2.50 0.00 0.00 175.30 172.42 1k82 n ALA 55 N 5.03 0.00 -1.04 6.12 0.00 -1.26 -1.43 120.51 127.92 1k82 n ALA 55 Ca -0.10 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.40 1k82 n ALA 55 Cb 0.49 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.22 1k82 n ALA 55 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1k82 n LYS 56 N 13.92 3.15 -3.78 0.00 5.02 -1.26 -4.76 118.16 130.45 1k82 n LYS 56 Ca 0.00 -2.96 -0.36 0.00 -2.02 0.00 0.00 58.31 52.97 1k82 n LYS 56 Cb 0.00 -1.94 -0.07 0.00 -0.02 0.00 0.00 35.03 33.00 1k82 n LYS 56 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1k82 s TYR 57 N -2.89 3.51 0.18 2.13 2.02 -0.51 -4.54 117.35 117.24 1k82 s TYR 57 Ca 0.46 0.46 -0.11 0.00 -0.37 0.00 0.00 57.07 57.50 1k82 s TYR 57 Cb 0.37 -2.07 -0.07 0.00 -0.40 0.00 0.00 41.96 39.79 1k82 s TYR 57 CO 0.09 0.50 0.53 -0.51 -1.57 0.00 0.00 175.55 174.60 1k82 s LEU 58 N -0.31 4.25 -0.18 -1.29 1.43 0.38 -1.45 118.68 121.52 1k82 s LEU 58 Ca 0.12 0.97 -0.01 0.00 -1.03 0.00 0.00 54.13 54.17 1k82 s LEU 58 Cb -0.12 -3.45 0.05 0.00 0.03 0.00 0.00 46.19 42.70 1k82 s LEU 58 CO 0.02 0.02 -0.01 -0.76 0.23 0.00 0.00 176.35 175.85 1k82 s LEU 59 N -2.40 1.42 -0.33 1.79 1.43 0.87 -1.48 118.68 119.99 1k82 s LEU 59 Ca 0.42 -0.73 -0.16 0.00 -1.03 0.00 0.00 54.13 52.64 1k82 s LEU 59 Cb -0.13 -0.75 -0.01 0.00 0.03 0.00 0.00 46.19 45.33 1k82 s LEU 59 CO 0.20 -0.24 0.40 -0.76 0.23 0.00 0.00 176.35 176.18 1k82 s LEU 60 N 1.74 4.37 -0.40 1.79 1.43 -0.25 0.09 118.68 127.44 1k82 s LEU 60 Ca -0.00 -0.11 -0.27 0.00 -1.03 0.00 0.00 54.13 52.72 1k82 s LEU 60 Cb -0.16 -2.41 0.02 0.00 0.03 0.00 0.00 46.19 43.67 1k82 s LEU 60 CO -0.07 -0.36 0.97 -0.70 0.23 0.00 0.00 176.35 176.42 1k82 s GLU 61 N 2.12 3.77 0.33 1.70 2.12 0.16 -1.38 118.70 127.52 1k82 s GLU 61 Ca 0.14 0.52 0.07 0.00 0.36 0.00 0.00 54.97 56.06 1k82 s GLU 61 Cb -0.16 -3.84 -0.02 0.00 0.26 0.00 0.00 34.13 30.36 1k82 s GLU 61 CO 0.12 -1.08 0.33 -0.51 -0.54 0.00 0.00 175.26 173.58 1k82 s LEU 62 N 3.72 3.69 0.26 2.70 1.43 0.67 0.11 118.68 131.25 1k82 s LEU 62 Ca 0.40 -0.42 -0.03 0.00 -1.03 0.00 0.00 54.13 53.05 1k82 s LEU 62 Cb -0.11 -2.33 0.43 0.00 0.03 0.00 0.00 46.19 44.21 1k82 s LEU 62 CO 0.22 -0.36 1.83 -0.65 0.23 0.00 0.00 176.35 177.62 1k82 h PRO 63 N 1.18 0.89 -0.11 1.29 0.11 -1.97 -3.15 132.00 130.24 1k82 h PRO 63 Ca -0.45 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1k82 h PRO 63 Cb 1.25 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1k82 h PRO 63 CO 0.57 0.59 0.00 0.39 -0.21 0.00 0.00 178.00 179.34 1k82 n GLU 64 N -4.66 2.66 -1.53 1.05 -0.58 -1.26 -5.07 120.64 111.25 1k82 n GLU 64 Ca 0.15 -1.94 0.00 0.00 -0.42 0.00 0.00 57.16 54.95 1k82 n GLU 64 Cb 0.27 -1.23 0.00 0.00 -0.57 0.00 0.00 31.44 29.91 1k82 n GLU 64 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1k82 n GLY 65 N -0.42 0.69 2.92 0.62 0.00 -1.19 -4.69 105.19 103.11 1k82 n GLY 65 Ca 0.07 -0.79 -0.19 0.00 0.00 0.00 0.00 46.02 45.11 1k82 n GLY 65 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1k82 s TRP 66 N -2.82 0.72 -0.19 1.61 0.52 0.92 -0.24 118.94 119.45 1k82 s TRP 66 Ca 0.00 -0.18 -0.21 0.00 0.02 0.00 0.00 56.10 55.73 1k82 s TRP 66 Cb 0.00 -0.59 -0.02 0.00 -1.15 0.00 0.00 33.47 31.70 1k82 s TRP 66 CO 0.00 -0.14 0.64 0.42 0.02 0.00 0.00 176.95 177.89 1k82 s ILE 67 N 0.61 5.01 -0.24 2.03 1.01 -0.48 -1.19 121.20 127.95 1k82 s ILE 67 Ca -0.08 1.22 -0.08 0.00 0.00 0.00 0.00 60.65 61.70 1k82 s ILE 67 Cb -0.12 -3.96 -0.03 0.00 0.01 0.00 0.00 42.46 38.36 1k82 s ILE 67 CO 0.00 0.11 0.09 -0.63 0.00 0.00 0.00 174.94 174.51 1k82 s ILE 68 N 1.92 4.56 -0.07 2.92 1.01 0.32 -1.09 121.20 130.76 1k82 s ILE 68 Ca 0.29 -0.09 0.05 0.00 0.00 0.00 0.00 60.65 60.91 1k82 s ILE 68 Cb -0.16 -3.13 -0.01 0.00 0.01 0.00 0.00 42.46 39.17 1k82 s ILE 68 CO 0.10 0.34 -0.24 -0.63 0.00 0.00 0.00 174.94 174.52 1k82 s ILE 69 N 1.45 2.16 0.03 2.92 1.01 -0.55 -0.77 121.20 127.46 1k82 s ILE 69 Ca 0.06 -1.02 0.05 0.00 0.00 0.00 0.00 60.65 59.74 1k82 s ILE 69 Cb -0.15 -1.80 -0.02 0.00 0.01 0.00 0.00 42.46 40.50 1k82 s ILE 69 CO 0.05 0.57 -0.14 -2.28 0.00 0.00 0.00 174.94 173.13 1k82 s HIS 70 N -0.05 1.23 -0.85 3.97 2.46 -0.31 -0.47 115.29 121.27 1k82 s HIS 70 Ca -0.07 -0.34 0.23 0.00 0.47 0.00 0.00 55.06 55.35 1k82 s HIS 70 Cb -0.15 -0.74 0.05 0.00 -0.13 0.00 0.00 32.58 31.61 1k82 s HIS 70 CO 0.05 0.03 1.06 1.28 -2.47 0.00 0.00 174.74 174.69 1k82 n LEU 71 N 2.00 0.71 0.00 8.88 4.77 -1.26 -1.64 117.00 130.46 1k82 n LEU 71 Ca -0.18 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 1k82 n LEU 71 Cb 0.55 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1k82 n LEU 71 CO 0.23 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1k82 n GLY 72 N 1.45 2.95 0.08 -0.72 0.00 -1.26 -0.53 105.19 107.17 1k82 n GLY 72 Ca 0.03 -0.37 0.02 0.00 0.00 0.00 0.00 46.02 45.70 1k82 n GLY 72 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1k82 n MET 73 N 13.94 0.64 -0.43 1.61 0.00 -1.26 -4.29 117.12 127.32 1k82 n MET 73 Ca 0.00 0.10 0.02 0.00 0.00 0.00 0.00 57.70 57.82 1k82 n MET 73 Cb 0.00 -1.71 0.03 0.00 0.00 0.00 0.00 33.22 31.54 1k82 n MET 73 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1k82 n SER 74 N -2.73 0.47 -4.90 7.83 3.41 -1.19 -4.47 113.62 112.03 1k82 n SER 74 Ca -0.11 -2.21 -0.28 0.00 -0.26 0.00 0.00 58.87 56.00 1k82 n SER 74 Cb 0.81 -0.25 -0.02 0.00 -0.26 0.00 0.00 64.21 64.50 1k82 n SER 74 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1k82 s GLY 75 N -1.38 1.68 0.16 5.00 0.00 0.31 -4.19 107.32 108.90 1k82 s GLY 75 Ca 0.07 -0.45 -0.15 0.00 0.00 0.00 0.00 44.72 44.18 1k82 s GLY 75 CO 0.00 -0.29 0.43 -1.35 0.00 0.00 0.00 173.10 171.89 1k82 s SER 76 N -3.65 -0.20 -0.02 1.64 1.04 -0.32 -4.86 113.70 107.33 1k82 s SER 76 Ca 0.47 -0.47 0.06 0.00 0.48 0.00 0.00 55.95 56.50 1k82 s SER 76 Cb -0.10 0.51 -0.01 0.00 0.10 0.00 0.00 66.02 66.51 1k82 s SER 76 CO 0.38 -0.94 -0.20 -0.76 0.98 0.00 0.00 173.24 172.70 1k82 s LEU 77 N -2.86 2.04 0.03 2.42 1.43 -1.26 -1.69 118.68 118.80 1k82 s LEU 77 Ca 0.07 -0.36 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 1k82 s LEU 77 Cb 0.01 -1.02 -0.02 0.00 0.03 0.00 0.00 46.19 45.19 1k82 s LEU 77 CO -0.07 0.24 -0.08 -0.13 0.23 0.00 0.00 176.35 176.54 1k82 s ARG 78 N -0.45 0.55 -0.29 1.70 0.52 -0.72 -5.00 118.95 115.27 1k82 s ARG 78 Ca 0.07 -0.64 -0.15 0.00 -0.52 0.00 0.00 55.73 54.50 1k82 s ARG 78 Cb -0.08 -0.39 -0.03 0.00 0.52 0.00 0.00 34.95 34.97 1k82 s ARG 78 CO -0.01 0.08 0.35 0.42 0.02 0.00 0.00 175.30 176.17 1k82 s ILE 79 N -1.06 5.18 -0.02 1.52 -1.09 -1.26 -1.48 121.20 123.00 1k82 s ILE 79 Ca -0.06 0.41 -0.12 0.00 -2.23 0.00 0.00 60.65 58.65 1k82 s ILE 79 Cb -0.08 -3.71 -0.05 0.00 -1.58 0.00 0.00 42.46 37.04 1k82 s ILE 79 CO 0.00 0.11 0.34 -0.76 -1.23 0.00 0.00 174.94 173.40 1k82 s LEU 80 N 2.03 4.44 0.28 2.97 1.43 0.32 -4.91 118.68 125.25 1k82 s LEU 80 Ca 0.13 0.82 -0.01 0.00 -1.03 0.00 0.00 54.13 54.04 1k82 s LEU 80 Cb -0.16 -2.51 0.40 0.00 0.03 0.00 0.00 46.19 43.94 1k82 s LEU 80 CO 0.11 0.33 1.81 1.55 0.23 0.00 0.00 176.35 180.37 1k82 h PRO 81 N 4.63 0.79 -4.27 1.29 0.13 -1.88 -0.25 132.00 132.45 1k82 h PRO 81 Ca -0.52 -0.18 -0.23 0.00 -0.87 0.00 0.00 66.00 64.20 1k82 h PRO 81 Cb 1.22 -0.11 -0.11 0.00 0.13 0.00 0.00 31.00 32.12 1k82 h PRO 81 CO 0.61 0.75 -0.36 -1.83 -0.23 0.00 0.00 178.00 176.94 1k82 s GLU 82 N -5.13 1.55 -0.93 0.86 4.04 -1.26 -4.19 118.70 113.64 1k82 s GLU 82 Ca -0.09 -1.61 -0.24 0.00 0.04 0.00 0.00 54.97 53.06 1k82 s GLU 82 Cb 0.15 0.37 -0.01 0.00 0.02 0.00 0.00 34.13 34.67 1k82 s GLU 82 CO 0.80 -0.59 1.74 -1.21 -1.84 0.00 0.00 175.26 174.16 1k82 s GLU 83 N -3.75 2.96 0.38 -4.83 2.02 -1.26 -4.72 118.70 109.50 1k82 s GLU 83 Ca 0.33 -0.57 -0.20 0.00 0.02 0.00 0.00 54.97 54.54 1k82 s GLU 83 Cb 0.02 -5.14 -0.10 0.00 0.10 0.00 0.00 34.13 29.02 1k82 s GLU 83 CO 0.15 -2.90 0.89 -1.17 0.02 0.00 0.00 175.26 172.26 1k82 s LEU 84 N 8.05 4.05 0.64 1.80 2.96 -1.26 -5.03 118.68 129.90 1k82 s LEU 84 Ca 0.60 1.61 -0.18 0.00 -0.22 0.00 0.00 54.13 55.94 1k82 s LEU 84 Cb -0.04 -4.31 -0.02 0.00 0.50 0.00 0.00 46.19 42.32 1k82 s LEU 84 CO -0.03 -0.26 1.20 -2.65 -1.32 0.00 0.00 176.35 173.28 1k82 n PRO 85 N -0.33 1.02 -2.86 0.98 -0.02 -1.26 -4.96 135.00 127.58 1k82 n PRO 85 Ca 0.05 0.40 -0.32 0.00 -2.02 0.00 0.00 63.50 61.61 1k82 n PRO 85 Cb 0.53 -2.43 -0.05 0.00 -0.02 0.00 0.00 33.50 31.53 1k82 n PRO 85 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1k82 s PRO 86 N -3.23 4.02 0.61 0.52 0.04 -1.26 -5.09 135.00 130.61 1k82 s PRO 86 Ca 0.81 0.81 -0.03 0.00 0.04 0.00 0.00 61.00 62.63 1k82 s PRO 86 Cb -0.39 -2.30 0.04 0.00 0.04 0.00 0.00 34.50 31.89 1k82 s PRO 86 CO 0.42 -0.01 0.88 -1.21 0.04 0.00 0.00 177.00 177.12 1k82 s GLU 87 N -3.39 2.50 0.62 4.56 2.02 -1.26 -4.97 118.70 118.77 1k82 s GLU 87 Ca 0.57 -0.44 0.32 0.00 0.02 0.00 0.00 54.97 55.44 1k82 s GLU 87 Cb -0.10 -2.34 1.83 0.00 0.10 0.00 0.00 34.13 33.62 1k82 s GLU 87 CO 0.21 -0.89 2.14 1.57 0.02 0.00 0.00 175.26 178.32 1k82 h LYS 88 N -0.20 0.00 -0.18 1.61 2.10 -2.04 -0.94 116.57 116.91 1k82 h LYS 88 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1k82 h LYS 88 Cb 1.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.63 1k82 h LYS 88 CO 0.57 0.00 0.00 0.72 -2.00 0.00 0.00 179.45 178.74 1k82 n HIS 89 N -3.53 0.39 -2.73 0.07 8.25 -1.26 -4.82 115.22 111.58 1k82 n HIS 89 Ca -0.00 -0.67 -0.43 0.00 -0.26 0.00 0.00 57.72 56.36 1k82 n HIS 89 Cb 0.26 -0.12 -0.00 0.00 1.12 0.00 0.00 29.99 31.25 1k82 n HIS 89 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1k82 s ASP 90 N -1.52 6.89 0.17 0.41 1.01 -0.36 -1.51 116.67 121.77 1k82 s ASP 90 Ca 0.23 -2.57 0.11 0.00 0.71 0.00 0.00 52.55 51.03 1k82 s ASP 90 Cb 0.17 -2.50 -0.10 0.00 1.01 0.00 0.00 42.92 41.49 1k82 s ASP 90 CO 0.08 -1.03 1.30 0.45 0.21 0.00 0.00 175.17 176.18 1k82 h HIS 91 N 7.62 0.00 -3.36 4.23 3.86 -1.66 -3.44 115.15 122.41 1k82 h HIS 91 Ca 0.37 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 59.34 1k82 h HIS 91 Cb 0.89 0.00 -0.31 0.00 1.06 0.00 0.00 27.41 29.05 1k82 h HIS 91 CO 1.29 0.79 -0.62 0.08 0.86 0.00 0.00 177.93 180.33 1k82 s VAL 92 N -2.81 -0.04 0.05 2.45 1.01 -1.16 -0.04 120.40 119.87 1k82 s VAL 92 Ca 0.02 0.14 0.09 0.00 0.00 0.00 0.00 61.98 62.23 1k82 s VAL 92 Cb 0.09 -0.19 -0.03 0.00 0.00 0.00 0.00 36.38 36.25 1k82 s VAL 92 CO 0.79 0.06 -0.26 -1.81 0.00 0.00 0.00 175.10 173.88 1k82 s ASP 93 N 0.84 3.22 -0.32 3.32 1.11 -0.41 -0.21 116.67 124.22 1k82 s ASP 93 Ca -0.07 -0.60 0.00 0.00 0.18 0.00 0.00 52.55 52.07 1k82 s ASP 93 Cb -0.09 -0.30 0.07 0.00 1.07 0.00 0.00 42.92 43.68 1k82 s ASP 93 CO -0.04 0.25 0.02 -0.76 1.18 0.00 0.00 175.17 175.82 1k82 s LEU 94 N -1.33 4.16 -0.35 1.23 1.02 0.67 -1.12 118.68 122.96 1k82 s LEU 94 Ca 0.12 -1.58 -0.23 0.00 0.02 0.00 0.00 54.13 52.46 1k82 s LEU 94 Cb -0.10 -1.68 0.01 0.00 0.02 0.00 0.00 46.19 44.44 1k82 s LEU 94 CO 0.03 -0.31 0.80 -0.69 0.02 0.00 0.00 176.35 176.19 1k82 s VAL 95 N 1.14 4.74 0.42 -1.59 1.01 -0.86 -1.37 120.40 123.89 1k82 s VAL 95 Ca -0.01 1.00 -0.08 0.00 0.00 0.00 0.00 61.98 62.89 1k82 s VAL 95 Cb -0.20 -4.20 -0.05 0.00 0.00 0.00 0.00 36.38 31.93 1k82 s VAL 95 CO -0.04 -0.39 0.75 -0.04 0.00 0.00 0.00 175.10 175.38 1k82 s MET 96 N 3.09 3.67 0.51 2.72 1.00 -0.48 -0.23 119.30 129.57 1k82 s MET 96 Ca 0.32 0.30 0.21 0.00 0.00 0.00 0.00 55.69 56.52 1k82 s MET 96 Cb -0.13 -2.42 1.33 0.00 0.00 0.00 0.00 34.83 33.61 1k82 s MET 96 CO 0.16 -0.07 2.09 0.66 0.00 0.00 0.00 175.02 177.86 1k82 h SER 97 N 0.90 0.00 -0.15 3.03 4.64 0.05 -1.98 113.55 120.04 1k82 h SER 97 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1k82 h SER 97 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1k82 h SER 97 CO 0.63 0.10 0.00 -0.46 -0.87 0.00 0.00 176.83 176.23 1k82 n ASN 98 N -4.10 1.94 0.00 4.97 0.23 -1.26 -4.84 115.26 112.21 1k82 n ASN 98 Ca -0.03 -2.19 0.00 0.00 -0.53 0.00 0.00 54.58 51.84 1k82 n ASN 98 Cb 0.18 -0.47 0.00 0.00 -2.08 0.00 0.00 39.78 37.41 1k82 n ASN 98 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1k82 n GLY 99 N 0.26 1.28 3.89 4.83 0.00 -0.74 -4.99 105.19 109.72 1k82 n GLY 99 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 1k82 n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k82 s LYS 100 N -0.18 2.97 -0.02 1.61 1.02 -1.26 -4.08 119.74 119.80 1k82 s LYS 100 Ca 0.00 0.37 0.02 0.00 0.02 0.00 0.00 55.97 56.38 1k82 s LYS 100 Cb 0.00 -2.10 0.01 0.00 -0.52 0.00 0.00 37.83 35.22 1k82 s LYS 100 CO 0.00 -0.88 -0.05 0.08 -0.92 0.00 0.00 175.35 173.58 1k82 s VAL 101 N -3.23 0.51 -0.41 3.17 1.01 -0.11 -1.39 120.40 119.95 1k82 s VAL 101 Ca 0.56 -0.20 -0.17 0.00 0.00 0.00 0.00 61.98 62.17 1k82 s VAL 101 Cb -0.11 -0.48 0.02 0.00 0.00 0.00 0.00 36.38 35.81 1k82 s VAL 101 CO 0.50 0.18 0.45 -0.22 0.00 0.00 0.00 175.10 176.01 1k82 s LEU 102 N 0.35 4.78 -0.21 3.92 2.96 -0.47 0.12 118.68 130.12 1k82 s LEU 102 Ca -0.04 -0.58 -0.06 0.00 -0.22 0.00 0.00 54.13 53.22 1k82 s LEU 102 Cb -0.08 -2.41 -0.03 0.00 0.50 0.00 0.00 46.19 44.16 1k82 s LEU 102 CO -0.00 -0.56 0.04 -0.60 -1.32 0.00 0.00 176.35 173.91 1k82 s ARG 103 N 2.18 3.73 -0.23 1.98 3.52 -0.55 -0.24 118.95 129.35 1k82 s ARG 103 Ca 0.13 -0.46 -0.09 0.00 -0.13 0.00 0.00 55.73 55.19 1k82 s ARG 103 Cb -0.17 -3.20 -0.04 0.00 -1.56 0.00 0.00 34.95 29.99 1k82 s ARG 103 CO 0.14 0.02 0.10 -0.47 -0.81 0.00 0.00 175.30 174.29 1k82 s TYR 104 N 1.01 3.21 -0.09 5.12 5.04 0.70 -1.75 117.35 130.59 1k82 s TYR 104 Ca 0.03 -0.03 0.05 0.00 -2.44 0.00 0.00 57.07 54.67 1k82 s TYR 104 Cb -0.14 -2.21 -0.00 0.00 0.35 0.00 0.00 41.96 39.96 1k82 s TYR 104 CO 0.02 -0.06 -0.24 0.99 -1.34 0.00 0.00 175.55 174.92 1k82 s THR 105 N 1.08 2.10 -0.41 4.34 2.01 -0.68 -1.80 115.64 122.28 1k82 s THR 105 Ca 0.05 -1.02 0.08 0.00 0.31 0.00 0.00 61.69 61.11 1k82 s THR 105 Cb -0.14 -1.79 0.18 0.00 0.01 0.00 0.00 72.50 70.76 1k82 s THR 105 CO 0.04 0.56 0.63 -0.62 -0.69 0.00 0.00 174.62 174.55 1k82 s ASP 106 N 0.17 -1.53 0.09 3.53 2.15 -0.57 -1.17 116.67 119.33 1k82 s ASP 106 Ca -0.13 -0.81 -0.26 0.00 0.43 0.00 0.00 52.55 51.78 1k82 s ASP 106 Cb -0.16 1.96 -0.14 0.00 -0.30 0.00 0.00 42.92 44.27 1k82 s ASP 106 CO 0.07 -0.17 1.69 -0.65 -0.17 0.00 0.00 175.17 175.95 1k82 h PRO 107 N 6.93 -0.30 0.00 4.34 0.11 -1.81 -2.55 132.00 138.73 1k82 h PRO 107 Ca 0.05 0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.14 1k82 h PRO 107 Cb 1.18 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1k82 h PRO 107 CO 0.10 -0.20 -0.18 0.00 -0.21 0.00 0.00 178.00 177.50 1k82 h ARG 108 N -0.31 0.00 -4.93 1.05 3.08 -1.96 -3.47 114.38 107.83 1k82 h ARG 108 Ca -0.02 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.72 1k82 h ARG 108 Cb 0.26 0.00 0.12 0.00 0.08 0.00 0.00 29.97 30.43 1k82 h ARG 108 CO 0.01 0.18 -0.56 0.54 -1.07 0.00 0.00 179.97 179.07 1k82 n ARG 109 N -3.30 -6.30 0.00 0.04 1.74 -0.96 -4.92 116.66 102.96 1k82 n ARG 109 Ca 0.01 0.68 0.13 0.00 -0.77 0.00 0.00 57.85 57.89 1k82 n ARG 109 Cb 0.43 -5.24 0.31 0.00 -1.02 0.00 0.00 32.46 26.94 1k82 n ARG 109 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1k82 n PHE 110 N -4.37 0.00 -0.68 -1.55 3.72 -1.26 -2.88 117.46 110.44 1k82 n PHE 110 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1k82 n PHE 110 Cb 0.56 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 1k82 n PHE 110 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1k82 n GLY 111 N 1.29 -1.27 3.52 1.37 0.00 -1.25 -4.07 105.19 104.78 1k82 n GLY 111 Ca 0.15 -1.62 -0.17 0.00 0.00 0.00 0.00 46.02 44.38 1k82 n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k82 s ALA 112 N -3.82 -1.69 -0.26 4.61 0.00 -0.65 -0.07 121.76 119.89 1k82 s ALA 112 Ca 0.00 1.42 0.01 0.00 0.00 0.00 0.00 51.96 53.39 1k82 s ALA 112 Cb 0.00 -0.29 0.07 0.00 0.00 0.00 0.00 23.12 22.90 1k82 s ALA 112 CO 0.00 -0.35 -0.03 -1.58 0.00 0.00 0.00 175.76 173.80 1k82 s TRP 113 N -0.79 2.57 0.10 0.00 0.52 -1.26 -1.16 118.94 118.91 1k82 s TRP 113 Ca -0.08 -1.96 0.04 0.00 0.02 0.00 0.00 56.10 54.12 1k82 s TRP 113 Cb -0.02 -1.79 -0.04 0.00 -1.15 0.00 0.00 33.47 30.48 1k82 s TRP 113 CO 0.07 -0.82 -0.10 -0.51 0.02 0.00 0.00 176.95 175.61 1k82 s LEU 114 N 1.33 2.40 -0.04 2.99 1.43 0.05 -2.14 118.68 124.70 1k82 s LEU 114 Ca -0.02 -0.80 0.06 0.00 -1.03 0.00 0.00 54.13 52.34 1k82 s LEU 114 Cb -0.19 -0.32 -0.02 0.00 0.03 0.00 0.00 46.19 45.70 1k82 s LEU 114 CO -0.08 -0.25 -0.23 0.86 0.23 0.00 0.00 176.35 176.88 1k82 s TRP 115 N -2.37 2.47 0.01 0.29 -0.11 -1.26 0.12 118.94 118.08 1k82 s TRP 115 Ca 0.05 -0.49 0.00 0.00 1.22 0.00 0.00 56.10 56.88 1k82 s TRP 115 Cb -0.03 -1.58 -0.01 0.00 -1.50 0.00 0.00 33.47 30.35 1k82 s TRP 115 CO 0.00 -0.07 -0.02 -0.08 -4.62 0.00 0.00 176.95 172.17 1k82 s THR 116 N -0.43 0.11 0.02 5.86 -1.32 -0.33 -4.97 115.64 114.57 1k82 s THR 116 Ca 0.05 -0.31 -0.25 0.00 -1.21 0.00 0.00 61.69 59.97 1k82 s THR 116 Cb -0.12 -0.15 -0.18 0.00 -1.51 0.00 0.00 72.50 70.54 1k82 s THR 116 CO 0.01 -0.13 1.40 0.07 -2.21 0.00 0.00 174.62 173.76 1k82 h LYS 117 N 5.68 -0.11 -6.45 7.08 -0.00 -1.86 0.26 116.57 121.18 1k82 h LYS 117 Ca -0.27 0.01 -0.70 0.00 -0.00 0.00 0.00 60.65 59.69 1k82 h LYS 117 Cb 1.21 0.02 -0.30 0.00 -0.00 0.00 0.00 32.23 33.16 1k82 h LYS 117 CO 0.48 0.20 -0.89 -1.21 -0.00 0.00 0.00 179.45 178.03 1k82 s GLU 118 N -4.91 2.23 0.20 0.07 0.41 -1.26 -4.39 118.70 111.05 1k82 s GLU 118 Ca -0.15 -0.92 -0.06 0.00 -0.41 0.00 0.00 54.97 53.43 1k82 s GLU 118 Cb 0.03 -2.08 0.12 0.00 -1.78 0.00 0.00 34.13 30.42 1k82 s GLU 118 CO 0.64 0.51 1.60 -0.07 -0.49 0.00 0.00 175.26 177.45 1k82 h LEU 119 N 5.64 0.87-10.25 1.80 3.38 -1.98 -3.44 115.31 111.33 1k82 h LEU 119 Ca -0.40 -0.32 -0.50 0.00 0.09 0.00 0.00 57.88 56.75 1k82 h LEU 119 Cb 1.14 -0.24 0.19 0.00 0.09 0.00 0.00 40.66 41.84 1k82 h LEU 119 CO 0.47 1.06 0.19 -1.61 0.09 0.00 0.00 178.44 178.64 1k82 s GLU 120 N -4.63 0.72 0.00 1.13 0.41 -1.26 -4.62 118.70 110.46 1k82 s GLU 120 Ca -0.10 1.33 0.00 0.00 -0.41 0.00 0.00 54.97 55.79 1k82 s GLU 120 Cb 0.13 -1.71 0.00 0.00 -1.78 0.00 0.00 34.13 30.77 1k82 s GLU 120 CO 0.85 -2.76 0.00 0.41 -0.49 0.00 0.00 175.26 173.27 1k82 n GLY 121 N 0.13 1.43 0.00 -1.39 0.00 -1.26 -4.88 105.19 99.23 1k82 n GLY 121 Ca 0.09 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1k82 n GLY 121 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1k82 n HIS 122 N 0.00 0.00 -2.73 1.61 -0.00 -1.26 -4.89 115.22 107.95 1k82 n HIS 122 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.72 57.78 1k82 n HIS 122 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 29.98 1k82 n HIS 122 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1k82 n ASN 123 N 0.00 -4.27 0.00 0.26 4.13 -1.26 -0.81 115.26 113.31 1k82 n ASN 123 Ca 0.00 0.46 0.15 0.00 1.68 0.00 0.00 54.58 56.87 1k82 n ASN 123 Cb 0.00 -1.28 0.86 0.00 -1.54 0.00 0.00 39.78 37.82 1k82 n ASN 123 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1k82 n VAL 124 N -2.03 0.01 -0.03 2.41 0.24 -1.26 -3.12 118.33 114.55 1k82 n VAL 124 Ca 0.00 0.00 0.07 0.00 -2.04 0.00 0.00 64.34 62.38 1k82 n VAL 124 Cb 0.19 -0.52 -0.16 0.00 -1.47 0.00 0.00 33.84 31.88 1k82 n VAL 124 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1k82 n LEU 125 N -1.09 0.00 0.00 1.34 4.77 -1.24 -4.82 117.00 115.97 1k82 n LEU 125 Ca 0.20 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1k82 n LEU 125 Cb 0.14 0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1k82 n LEU 125 CO 0.19 0.09 0.36 0.41 -1.33 0.00 0.00 177.39 177.10 1k82 n THR 126 N -2.32 0.00 -1.34 -5.08 -1.04 0.01 -2.75 114.28 101.76 1k82 n THR 126 Ca -0.09 1.21 -0.34 0.00 -2.04 0.00 0.00 64.05 62.79 1k82 n THR 126 Cb 0.66 -1.86 0.08 0.00 -1.82 0.00 0.00 70.33 67.39 1k82 n THR 126 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1k82 n HIS 127 N -1.65 3.22 -2.30 -1.42 8.25 -1.26 -4.94 115.22 115.13 1k82 n HIS 127 Ca 0.00 -2.96 -0.41 0.00 -0.26 0.00 0.00 57.72 54.10 1k82 n HIS 127 Cb 0.00 -1.41 -0.03 0.00 1.12 0.00 0.00 29.99 29.67 1k82 n HIS 127 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1k82 s LEU 128 N -3.80 4.47 1.23 2.41 1.43 -1.11 -4.60 118.68 118.71 1k82 s LEU 128 Ca 0.64 2.40 -0.19 0.00 -1.03 0.00 0.00 54.13 55.96 1k82 s LEU 128 Cb 0.51 -3.62 0.30 0.00 0.03 0.00 0.00 46.19 43.40 1k82 s LEU 128 CO -0.00 -0.38 1.06 -0.83 0.23 0.00 0.00 176.35 176.42 1k82 s GLY 129 N -0.28 1.53 0.68 -3.19 0.00 0.31 -4.98 107.32 101.40 1k82 s GLY 129 Ca 0.50 -0.79 -0.16 0.00 0.00 0.00 0.00 44.72 44.28 1k82 s GLY 129 CO 0.43 0.09 1.19 2.56 0.00 0.00 0.00 173.10 177.36 1k82 s PRO 130 N -5.19 2.46 0.16 2.90 0.04 -1.26 -4.28 135.00 129.83 1k82 s PRO 130 Ca 0.70 1.70 -0.31 0.00 0.04 0.00 0.00 61.00 63.13 1k82 s PRO 130 Cb -0.13 -1.88 -0.10 0.00 0.04 0.00 0.00 34.50 32.44 1k82 s PRO 130 CO 0.57 -1.57 1.53 -1.21 0.04 0.00 0.00 177.00 176.36 1k82 s GLU 131 N -3.81 4.24 0.42 4.56 0.41 -1.26 -2.04 118.70 121.21 1k82 s GLU 131 Ca 0.74 2.31 0.16 0.00 -0.41 0.00 0.00 54.97 57.77 1k82 s GLU 131 Cb -0.28 -3.17 0.92 0.00 -1.78 0.00 0.00 34.13 29.82 1k82 s GLU 131 CO 0.42 -0.56 1.90 -1.00 -0.49 0.00 0.00 175.26 175.52 1k82 h PRO 132 N 6.66 0.00 -0.00 0.39 0.13 -1.93 -2.28 132.00 134.97 1k82 h PRO 132 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1k82 h PRO 132 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1k82 h PRO 132 CO 0.90 0.28 -0.07 1.28 -0.23 0.00 0.00 178.00 180.16 1k82 n LEU 133 N -4.00 0.40 -4.91 1.56 4.77 -1.26 -4.69 117.00 108.86 1k82 n LEU 133 Ca -0.02 0.02 -0.27 0.00 -0.03 0.00 0.00 56.01 55.71 1k82 n LEU 133 Cb 0.35 -0.16 0.01 0.00 -2.33 0.00 0.00 43.42 41.28 1k82 n LEU 133 CO 0.36 0.07 0.47 -0.94 -1.33 0.00 0.00 177.39 176.02 1k82 s SER 134 N -2.40 6.13 0.39 -1.43 1.04 -0.86 -4.96 113.70 111.60 1k82 s SER 134 Ca 0.32 0.89 0.28 0.00 0.48 0.00 0.00 55.95 57.92 1k82 s SER 134 Cb 0.20 -2.14 1.10 0.00 0.10 0.00 0.00 66.02 65.29 1k82 s SER 134 CO 0.45 -0.68 1.83 0.44 0.98 0.00 0.00 173.24 176.26 1k82 h ASP 135 N 0.13 0.00 0.04 7.02 3.32 -1.88 -1.87 116.42 123.17 1k82 h ASP 135 Ca -0.47 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.58 1k82 h ASP 135 Cb 1.21 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.76 1k82 h ASP 135 CO 0.61 0.00 -0.03 0.44 -1.72 0.00 0.00 179.24 178.54 1k82 h ASP 136 N 0.00 0.00 -3.44 6.45 5.19 -1.93 -3.37 116.42 119.32 1k82 h ASP 136 Ca 0.00 0.00 -0.65 0.00 -0.62 0.00 0.00 57.03 55.76 1k82 h ASP 136 Cb 0.49 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 39.84 1k82 h ASP 136 CO 0.00 0.03 0.21 0.12 -3.12 0.00 0.00 179.24 176.48 1k82 s PHE 137 N -4.96 3.00 0.35 4.55 5.36 -0.70 -4.90 117.98 120.68 1k82 s PHE 137 Ca -0.05 -0.15 0.00 0.00 -0.96 0.00 0.00 56.93 55.78 1k82 s PHE 137 Cb 0.17 -3.56 -0.00 0.00 -0.34 0.00 0.00 43.02 39.28 1k82 s PHE 137 CO 0.67 -1.01 0.45 0.54 -1.46 0.00 0.00 175.22 174.41 1k82 s ASN 138 N 2.35 1.18 0.14 6.13 2.20 -1.26 -4.85 114.94 120.84 1k82 s ASN 138 Ca 0.23 -1.59 -0.13 0.00 -0.94 0.00 0.00 52.86 50.43 1k82 s ASN 138 Cb -0.15 0.66 0.01 0.00 -2.00 0.00 0.00 41.25 39.78 1k82 s ASN 138 CO 0.18 -1.28 1.61 1.23 -2.94 0.00 0.00 177.10 175.90 1k82 h GLY 139 N 2.08 0.88 1.01 0.45 0.00 -1.87 0.30 103.07 105.93 1k82 h GLY 139 Ca -0.27 -0.62 -0.01 0.00 0.00 0.00 0.00 47.33 46.43 1k82 h GLY 139 CO 0.38 0.57 0.42 -2.09 0.00 0.00 0.00 176.54 175.82 1k82 h GLU 140 N 0.68 1.00 -0.04 4.80 4.57 -1.90 0.46 114.58 124.15 1k82 h GLU 140 Ca 0.14 -0.10 -0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1k82 h GLU 140 Cb 0.45 -0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 28.83 1k82 h GLU 140 CO 0.02 0.72 0.02 -0.92 -1.18 0.00 0.00 179.01 177.67 1k82 h TYR 141 N 1.00 0.05 -0.30 0.92 3.20 -1.81 -0.57 116.97 119.46 1k82 h TYR 141 Ca 0.26 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.13 1k82 h TYR 141 Cb -0.01 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 1k82 h TYR 141 CO -0.01 0.08 0.19 1.25 -1.64 0.00 0.00 178.16 178.03 1k82 h LEU 142 N 0.01 0.33 -0.46 2.82 5.85 -0.66 0.23 115.31 123.42 1k82 h LEU 142 Ca 0.01 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.74 1k82 h LEU 142 Cb 0.04 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 1k82 h LEU 142 CO -0.00 0.24 0.29 -0.74 -0.34 0.00 0.00 178.44 177.88 1k82 h HIS 143 N 0.39 0.54 -0.26 1.25 2.76 0.08 -0.54 115.15 119.37 1k82 h HIS 143 Ca 0.11 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.35 1k82 h HIS 143 Cb -0.03 -0.18 -0.05 0.00 1.55 0.00 0.00 27.41 28.70 1k82 h HIS 143 CO -0.06 0.33 -0.05 1.96 -1.30 0.00 0.00 177.93 178.80 1k82 h GLN 144 N 0.58 0.01 0.00 5.26 4.20 -0.64 -2.72 115.11 121.81 1k82 h GLN 144 Ca 0.18 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 1k82 h GLN 144 Cb -0.02 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.75 1k82 h GLN 144 CO -0.06 0.01 0.00 0.87 -0.67 0.00 0.00 178.83 178.98 1k82 h LYS 145 N 0.01 0.00 0.00 1.46 1.79 -0.01 -3.09 116.57 116.73 1k82 h LYS 145 Ca 0.13 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.58 1k82 h LYS 145 Cb 0.19 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.84 1k82 h LYS 145 CO -0.26 0.00 -0.73 0.00 -1.08 0.00 0.00 179.45 177.38 1k82 h ALA 147 N 1.95 1.95 -0.28 0.00 0.00 -1.43 0.67 119.26 122.12 1k82 h ALA 147 Ca -0.01 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1k82 h ALA 147 Cb 1.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1k82 h ALA 147 CO 0.00 -0.34 0.00 1.63 0.00 0.00 0.00 179.25 180.54 1k82 n LYS 148 N -4.71 2.23 -2.01 0.00 5.02 -1.26 -4.88 118.16 112.55 1k82 n LYS 148 Ca 0.24 -2.05 -0.34 0.00 -2.02 0.00 0.00 58.31 54.14 1k82 n LYS 148 Cb 0.73 -1.44 0.02 0.00 -0.02 0.00 0.00 35.03 34.32 1k82 n LYS 148 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1k82 s LYS 149 N -1.42 3.11 0.00 1.97 -0.14 0.23 -4.94 119.74 118.54 1k82 s LYS 149 Ca 0.32 1.44 0.00 0.00 -1.36 0.00 0.00 55.97 56.37 1k82 s LYS 149 Cb 0.19 -1.99 0.00 0.00 -1.68 0.00 0.00 37.83 34.36 1k82 s LYS 149 CO 0.27 -1.01 0.86 1.63 -0.76 0.00 0.00 175.35 176.34 1k82 n LYS 150 N -1.90 2.04 -2.88 1.68 4.76 -1.26 -4.44 118.16 116.15 1k82 n LYS 150 Ca 0.11 -1.23 -0.10 0.00 -2.87 0.00 0.00 58.31 54.22 1k82 n LYS 150 Cb 0.52 -0.95 -0.02 0.00 -1.84 0.00 0.00 35.03 32.73 1k82 n LYS 150 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1k82 n THR 151 N -0.37 0.00 -2.09 -0.18 -2.24 -1.26 -4.98 114.28 103.16 1k82 n THR 151 Ca 0.00 -0.83 -0.33 0.00 -2.27 0.00 0.00 64.05 60.62 1k82 n THR 151 Cb 0.23 0.22 0.01 0.00 -2.10 0.00 0.00 70.33 68.69 1k82 n THR 151 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k82 s ALA 152 N -2.34 2.70 0.21 6.98 0.00 -1.26 -1.59 121.76 126.46 1k82 s ALA 152 Ca 0.03 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.50 1k82 s ALA 152 Cb 0.00 -3.26 0.16 0.00 0.00 0.00 0.00 23.12 20.02 1k82 s ALA 152 CO 0.02 -0.82 1.52 0.97 0.00 0.00 0.00 175.76 177.45 1k82 h ILE 153 N 0.61 1.36 0.35 0.00 6.09 -1.11 -3.24 117.51 121.56 1k82 h ILE 153 Ca -0.48 -1.92 -0.02 0.00 -1.37 0.00 0.00 64.86 61.07 1k82 h ILE 153 Cb 1.23 1.92 0.00 0.00 0.47 0.00 0.00 36.82 40.45 1k82 h ILE 153 CO 0.57 0.58 -0.17 0.50 -3.07 0.00 0.00 178.15 176.56 1k82 h LYS 154 N 0.29 -0.45 0.00 2.19 3.11 -1.82 -1.69 116.57 118.20 1k82 h LYS 154 Ca -0.00 0.03 -0.05 0.00 -2.81 0.00 0.00 60.65 57.82 1k82 h LYS 154 Cb 1.13 0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 32.46 1k82 h LYS 154 CO 0.10 -0.27 -0.22 -1.00 -2.81 0.00 0.00 179.45 175.25 1k82 h PRO 155 N -0.51 0.00 -0.51 1.90 0.13 -1.87 -2.54 132.00 128.60 1k82 h PRO 155 Ca -0.05 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.02 1k82 h PRO 155 Cb 0.39 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.49 1k82 h PRO 155 CO 0.08 0.22 0.07 2.35 -0.23 0.00 0.00 178.00 180.49 1k82 h TRP 156 N 0.00 0.84 0.00 1.56 -0.00 -1.49 -1.52 115.95 115.35 1k82 h TRP 156 Ca -0.00 -0.09 -0.04 0.00 -0.00 0.00 0.00 58.89 58.75 1k82 h TRP 156 Cb 0.47 -0.24 -0.01 0.00 -0.00 0.00 0.00 29.16 29.38 1k82 h TRP 156 CO 0.00 0.74 -0.20 -0.07 -0.00 0.00 0.00 178.44 178.91 1k82 h LEU 157 N 0.77 0.00 -1.18 0.65 3.38 -0.89 -2.33 115.31 115.71 1k82 h LEU 157 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1k82 h LEU 157 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1k82 h LEU 157 CO 0.01 0.20 0.00 0.23 0.09 0.00 0.00 178.44 178.97 1k82 n MET 158 N -3.85 1.74 -3.44 1.13 2.81 -0.59 -4.60 117.12 110.33 1k82 n MET 158 Ca -0.02 -1.15 -0.42 0.00 -1.81 0.00 0.00 57.70 54.29 1k82 n MET 158 Cb 0.30 -1.26 -0.10 0.00 -0.71 0.00 0.00 33.22 31.45 1k82 n MET 158 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1k82 s ASP 159 N -1.03 6.13 0.38 7.83 -1.08 -0.88 -4.94 116.67 123.07 1k82 s ASP 159 Ca 0.22 -0.70 0.24 0.00 -0.52 0.00 0.00 52.55 51.80 1k82 s ASP 159 Cb 0.12 -2.17 1.32 0.00 -1.46 0.00 0.00 42.92 40.72 1k82 s ASP 159 CO 0.15 -0.43 1.73 0.78 0.52 0.00 0.00 175.17 177.93 1k82 h ASN 160 N 8.61 0.00 0.68 -0.34 2.35 -1.87 0.21 115.58 125.22 1k82 h ASN 160 Ca -0.28 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.36 1k82 h ASN 160 Cb 1.13 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.48 1k82 h ASN 160 CO 0.72 0.00 -0.53 0.50 -1.65 0.00 0.00 177.43 176.47 1k82 h LYS 161 N 0.00 0.00 0.12 0.81 3.64 -1.92 0.91 116.57 120.13 1k82 h LYS 161 Ca 0.00 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.15 1k82 h LYS 161 Cb 0.08 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1k82 h LYS 161 CO 0.00 0.53 -1.13 1.25 -2.27 0.00 0.00 179.45 177.83 1k82 h LEU 162 N 0.00 0.41 -7.00 5.20 5.85 -0.87 -3.37 115.31 115.52 1k82 h LEU 162 Ca -0.01 -0.89 0.05 0.00 0.84 0.00 0.00 57.88 57.87 1k82 h LEU 162 Cb 1.01 -0.13 -0.24 0.00 0.37 0.00 0.00 40.66 41.67 1k82 h LEU 162 CO 0.07 1.51 0.44 0.54 -0.34 0.00 0.00 178.44 180.66 1k82 s VAL 163 N -2.45 0.00 0.37 1.05 0.11 -1.12 -4.30 120.40 114.06 1k82 s VAL 163 Ca -0.17 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 58.93 1k82 s VAL 163 Cb 0.03 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.87 1k82 s VAL 163 CO 0.79 0.00 0.53 0.68 -3.33 0.00 0.00 175.10 173.77 1k82 s VAL 164 N -0.44 3.94 0.00 2.04 -7.23 -0.87 -3.95 120.40 113.88 1k82 s VAL 164 Ca -0.01 -0.88 0.00 0.00 -1.81 0.00 0.00 61.98 59.29 1k82 s VAL 164 Cb -0.03 -3.38 0.00 0.00 0.56 0.00 0.00 36.38 33.53 1k82 s VAL 164 CO -0.01 -0.18 0.00 0.61 -0.31 0.00 0.00 175.10 175.21 1k82 n GLY 165 N -1.78 2.47 3.37 2.32 0.00 -1.26 -4.17 105.19 106.15 1k82 n GLY 165 Ca 0.01 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.58 1k82 n GLY 165 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k82 s VAL 166 N -2.23 5.01 0.00 1.61 1.01 -1.26 -2.22 120.40 122.31 1k82 s VAL 166 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 61.98 60.52 1k82 s VAL 166 Cb 0.00 -4.53 0.00 0.00 0.00 0.00 0.00 36.38 31.85 1k82 s VAL 166 CO 0.00 -1.15 0.00 0.61 0.00 0.00 0.00 175.10 174.56 1k82 n GLY 167 N 5.03 1.00 0.32 4.51 0.00 -1.26 -4.06 105.19 110.73 1k82 n GLY 167 Ca 0.01 -1.89 0.05 0.00 0.00 0.00 0.00 46.02 44.19 1k82 n GLY 167 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1k82 h ASN 168 N 0.00 0.52 0.14 1.61 -1.24 -1.95 0.36 115.58 115.02 1k82 h ASN 168 Ca 0.00 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 1k82 h ASN 168 Cb 0.00 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 38.93 1k82 h ASN 168 CO 0.00 0.36 -0.06 0.40 -1.29 0.00 0.00 177.43 176.84 1k82 h ILE 169 N 0.61 0.93 0.00 2.57 2.04 -1.93 -3.19 117.51 118.54 1k82 h ILE 169 Ca 0.20 -1.21 0.00 0.00 1.00 0.00 0.00 64.86 64.86 1k82 h ILE 169 Cb 0.06 1.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 1k82 h ILE 169 CO -0.05 0.25 0.00 1.88 0.00 0.00 0.00 178.15 180.22 1k82 h TYR 170 N -0.84 0.00 0.02 1.37 0.05 -1.87 -0.18 116.97 115.52 1k82 h TYR 170 Ca -0.02 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.76 1k82 h TYR 170 Cb 0.54 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.28 1k82 h TYR 170 CO 0.10 0.00 -0.01 0.00 -1.05 0.00 0.00 178.16 177.19 1k82 h ALA 171 N 2.17 -0.03 -0.40 3.88 0.00 -1.04 -1.12 119.26 122.72 1k82 h ALA 171 Ca 0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1k82 h ALA 171 Cb 0.77 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1k82 h ALA 171 CO 0.00 -0.40 0.06 0.77 0.00 0.00 0.00 179.25 179.68 1k82 h SER 172 N -0.27 0.63 -0.73 0.00 0.02 -1.47 -2.23 113.55 109.50 1k82 h SER 172 Ca -0.00 -0.27 -0.04 0.00 -0.84 0.00 0.00 61.79 60.64 1k82 h SER 172 Cb 0.26 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 1k82 h SER 172 CO 0.01 0.74 0.30 -0.33 -1.14 0.00 0.00 176.83 176.41 1k82 h GLU 173 N 0.51 1.10 -0.31 3.45 4.39 -1.07 -2.18 114.58 120.46 1k82 h GLU 173 Ca 0.12 -0.19 -0.10 0.00 0.34 0.00 0.00 59.36 59.53 1k82 h GLU 173 Cb 0.38 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 1k82 h GLU 173 CO 0.01 0.89 -0.22 0.77 -1.16 0.00 0.00 179.01 179.30 1k82 h SER 174 N 1.08 0.72 -0.28 1.42 0.02 -1.13 -2.34 113.55 113.04 1k82 h SER 174 Ca 0.25 -0.44 -0.08 0.00 -0.84 0.00 0.00 61.79 60.68 1k82 h SER 174 Cb 0.20 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1k82 h SER 174 CO -0.02 1.01 -0.10 -0.07 -1.14 0.00 0.00 176.83 176.50 1k82 h LEU 175 N 0.44 0.68 0.35 5.07 3.38 -1.18 -0.27 115.31 123.78 1k82 h LEU 175 Ca 0.06 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1k82 h LEU 175 Cb 0.77 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 1k82 h LEU 175 CO 0.06 0.81 -0.20 0.15 0.09 0.00 0.00 178.44 179.35 1k82 h PHE 176 N 0.63 -0.52 -0.33 1.13 3.57 -1.38 -1.25 116.94 118.79 1k82 h PHE 176 Ca 0.11 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.70 1k82 h PHE 176 Cb 0.55 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 1k82 h PHE 176 CO 0.03 -0.31 0.28 0.00 -2.23 0.00 0.00 178.31 176.08 1k82 h ALA 177 N 0.12 2.14 -0.00 2.41 0.00 -0.86 0.28 119.26 123.35 1k82 h ALA 177 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1k82 h ALA 177 Cb 0.42 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1k82 h ALA 177 CO 0.05 -0.45 -0.44 0.00 0.00 0.00 0.00 179.25 178.41 1k82 n ALA 178 N -2.47 3.44 -1.36 0.00 0.00 -0.16 -4.94 120.51 115.02 1k82 n ALA 178 Ca 0.05 -0.37 -0.05 0.00 0.00 0.00 0.00 53.44 53.07 1k82 n ALA 178 Cb 0.45 -1.12 -0.02 0.00 0.00 0.00 0.00 19.45 18.77 1k82 n ALA 178 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k82 n GLY 179 N 1.46 0.62 3.37 0.00 0.00 0.97 -4.96 105.19 106.65 1k82 n GLY 179 Ca 0.07 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 44.94 1k82 n GLY 179 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k82 s ILE 180 N -2.19 3.35 0.24 -0.61 1.01 -0.58 -1.93 121.20 120.49 1k82 s ILE 180 Ca 0.00 -0.53 -0.31 0.00 0.00 0.00 0.00 60.65 59.80 1k82 s ILE 180 Cb 0.00 -2.47 -0.13 0.00 0.01 0.00 0.00 42.46 39.88 1k82 s ILE 180 CO 0.00 0.48 1.56 1.57 0.00 0.00 0.00 174.94 178.55 1k82 n HIS 181 N 4.03 2.54 0.28 3.97 -0.00 -1.26 -4.48 115.22 120.30 1k82 n HIS 181 Ca -0.18 0.27 0.16 0.00 -0.00 0.00 0.00 57.72 57.97 1k82 n HIS 181 Cb 0.52 -2.56 0.83 0.00 -0.00 0.00 0.00 29.99 28.78 1k82 n HIS 181 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1k82 h PRO 182 N 5.20 0.00 -0.00 1.57 0.13 -1.94 -2.50 132.00 134.46 1k82 h PRO 182 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1k82 h PRO 182 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1k82 h PRO 182 CO 0.83 0.06 -0.17 -0.25 -0.23 0.00 0.00 178.00 178.24 1k82 n ASP 183 N -3.36 0.49 -4.71 1.44 8.00 -1.26 -2.95 116.55 114.20 1k82 n ASP 183 Ca -0.01 -0.43 -0.43 0.00 0.71 0.00 0.00 54.79 54.62 1k82 n ASP 183 Cb 0.22 -0.05 -0.02 0.00 -0.02 0.00 0.00 41.12 41.25 1k82 n ASP 183 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1k82 n ARG 184 N -1.06 2.33 -1.68 -1.24 5.12 -0.94 -4.69 116.66 114.49 1k82 n ARG 184 Ca 0.12 0.83 -0.45 0.00 -1.93 0.00 0.00 57.85 56.41 1k82 n ARG 184 Cb 0.30 -2.53 -0.04 0.00 -1.16 0.00 0.00 32.46 29.04 1k82 n ARG 184 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1k82 n LEU 185 N 1.93 3.32 -0.32 0.55 4.77 -1.26 -1.03 117.00 124.96 1k82 n LEU 185 Ca 0.09 1.07 0.15 0.00 -0.03 0.00 0.00 56.01 57.29 1k82 n LEU 185 Cb 0.34 -1.46 0.33 0.00 -2.33 0.00 0.00 43.42 40.31 1k82 n LEU 185 CO 0.63 -0.17 1.10 0.00 -1.33 0.00 0.00 177.39 177.62 1k82 h ALA 186 N 6.22 1.57 0.00 -1.18 0.00 -1.53 0.13 119.26 124.47 1k82 h ALA 186 Ca -0.45 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1k82 h ALA 186 Cb 1.24 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1k82 h ALA 186 CO 0.91 -0.29 0.00 0.66 0.00 0.00 0.00 179.25 180.52 1k82 h SER 187 N 0.49 0.00 0.58 0.00 4.64 -1.78 -2.84 113.55 114.65 1k82 h SER 187 Ca 0.59 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.91 1k82 h SER 187 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1k82 h SER 187 CO -0.50 0.00 -0.15 -1.54 -0.87 0.00 0.00 176.83 173.77 1k82 n SER 188 N -2.65 0.32 -4.79 4.97 3.41 0.03 -4.85 113.62 110.07 1k82 n SER 188 Ca 0.02 -0.18 -0.36 0.00 -0.26 0.00 0.00 58.87 58.09 1k82 n SER 188 Cb 0.31 -0.14 -0.05 0.00 -0.26 0.00 0.00 64.21 64.07 1k82 n SER 188 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1k82 s LEU 189 N -2.73 4.11 0.63 1.04 1.43 -1.07 -5.02 118.68 117.06 1k82 s LEU 189 Ca 0.21 1.95 -0.05 0.00 -1.03 0.00 0.00 54.13 55.21 1k82 s LEU 189 Cb 0.19 -4.25 0.04 0.00 0.03 0.00 0.00 46.19 42.20 1k82 s LEU 189 CO 0.53 -0.44 0.92 -0.94 0.23 0.00 0.00 176.35 176.65 1k82 s SER 190 N -1.70 5.18 0.27 2.29 1.04 -1.26 -4.87 113.70 114.64 1k82 s SER 190 Ca 0.58 0.43 -0.02 0.00 0.48 0.00 0.00 55.95 57.43 1k82 s SER 190 Cb -0.19 -1.26 0.46 0.00 0.10 0.00 0.00 66.02 65.13 1k82 s SER 190 CO 0.24 -1.31 1.85 0.25 0.98 0.00 0.00 173.24 175.25 1k82 h LEU 191 N -0.30 0.90 -0.32 2.42 5.85 -1.96 0.22 115.31 122.12 1k82 h LEU 191 Ca -0.44 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 1k82 h LEU 191 Cb 1.29 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 1k82 h LEU 191 CO 0.59 0.53 0.16 0.00 -0.34 0.00 0.00 178.44 179.37 1k82 h ALA 192 N 1.48 0.42 -0.72 1.25 0.00 -1.97 0.49 119.26 120.22 1k82 h ALA 192 Ca 0.45 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 1k82 h ALA 192 Cb 0.34 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1k82 h ALA 192 CO -0.23 -0.02 0.29 0.93 0.00 0.00 0.00 179.25 180.22 1k82 h GLU 193 N 0.39 1.05 -0.41 0.00 5.08 -1.72 0.11 114.58 119.07 1k82 h GLU 193 Ca 0.11 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1k82 h GLU 193 Cb 0.12 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1k82 h GLU 193 CO -0.01 0.85 0.01 0.00 -1.00 0.00 0.00 179.01 178.86 1k82 h GLU 195 N 0.56 0.83 -0.53 0.00 4.39 -0.65 0.90 114.58 120.08 1k82 h GLU 195 Ca 0.12 -0.25 -0.08 0.00 0.34 0.00 0.00 59.36 59.49 1k82 h GLU 195 Cb 0.47 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 1k82 h GLU 195 CO 0.02 0.86 0.02 1.25 -1.16 0.00 0.00 179.01 180.00 1k82 h LEU 196 N 0.76 0.90 -0.20 1.33 5.85 -0.65 -2.58 115.31 120.72 1k82 h LEU 196 Ca 0.14 -0.29 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 1k82 h LEU 196 Cb 0.51 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1k82 h LEU 196 CO 0.03 0.97 -0.01 0.25 -0.34 0.00 0.00 178.44 179.34 1k82 h LEU 197 N 0.80 0.35 -0.66 2.25 5.85 0.17 -1.41 115.31 122.67 1k82 h LEU 197 Ca 0.15 -0.32 0.06 0.00 0.84 0.00 0.00 57.88 58.61 1k82 h LEU 197 Cb 0.50 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.38 1k82 h LEU 197 CO 0.02 0.58 0.36 0.00 -0.34 0.00 0.00 178.44 179.06 1k82 h ALA 198 N 0.78 0.88 -0.47 1.25 0.00 -0.84 -1.32 119.26 119.53 1k82 h ALA 198 Ca 0.05 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1k82 h ALA 198 Cb 0.41 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1k82 h ALA 198 CO 0.01 0.02 0.13 0.00 0.00 0.00 0.00 179.25 179.42 1k82 h ARG 199 N 0.66 0.74 -0.11 0.00 3.08 -1.35 -2.57 114.38 114.83 1k82 h ARG 199 Ca 0.30 -0.17 -0.14 0.00 0.07 0.00 0.00 59.98 60.04 1k82 h ARG 199 Cb 0.20 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1k82 h ARG 199 CO -0.19 0.71 -0.56 -0.39 -1.07 0.00 0.00 179.97 178.48 1k82 h VAL 200 N 0.62 1.36 -0.09 2.04 -1.51 -0.84 -1.38 116.25 116.45 1k82 h VAL 200 Ca 0.15 -1.86 0.04 0.00 -1.23 0.00 0.00 66.70 63.80 1k82 h VAL 200 Cb 0.29 1.89 -0.05 0.00 -2.13 0.00 0.00 31.29 31.30 1k82 h VAL 200 CO -0.00 0.56 -0.18 0.40 -1.23 0.00 0.00 177.57 177.11 1k82 h ILE 201 N 0.25 0.54 -0.41 7.19 2.04 -1.14 0.59 117.51 126.56 1k82 h ILE 201 Ca 0.00 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.93 1k82 h ILE 201 Cb 1.05 0.54 -0.06 0.00 -0.74 0.00 0.00 36.82 37.61 1k82 h ILE 201 CO 0.09 0.00 0.05 0.11 0.00 0.00 0.00 178.15 178.40 1k82 h LYS 202 N -0.25 0.16 -0.22 2.37 1.57 -1.21 0.06 116.57 119.05 1k82 h LYS 202 Ca 0.08 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1k82 h LYS 202 Cb 0.37 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1k82 h LYS 202 CO -0.24 0.11 0.13 0.00 -0.57 0.00 0.00 179.45 178.88 1k82 h ALA 203 N 1.34 0.28 -0.19 3.86 0.00 -0.40 0.11 119.26 124.25 1k82 h ALA 203 Ca 0.20 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1k82 h ALA 203 Cb 0.27 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1k82 h ALA 203 CO -0.30 -0.21 0.01 0.28 0.00 0.00 0.00 179.25 179.03 1k82 h VAL 204 N 0.27 0.87 -0.62 0.00 2.07 0.48 -0.15 116.25 119.17 1k82 h VAL 204 Ca 0.08 -0.02 -0.06 0.00 0.82 0.00 0.00 66.70 67.52 1k82 h VAL 204 Cb 0.02 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1k82 h VAL 204 CO -0.01 0.01 0.16 -0.07 0.02 0.00 0.00 177.57 177.68 1k82 h LEU 205 N 0.07 0.93 -0.64 2.57 3.38 -0.61 -1.06 115.31 119.95 1k82 h LEU 205 Ca 0.09 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 1k82 h LEU 205 Cb 0.11 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1k82 h LEU 205 CO -0.15 0.92 0.16 -0.07 0.09 0.00 0.00 178.44 179.39 1k82 h LEU 206 N 0.91 0.96 -0.04 1.67 3.38 -0.63 -0.97 115.31 120.60 1k82 h LEU 206 Ca 0.20 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1k82 h LEU 206 Cb 0.34 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1k82 h LEU 206 CO -0.00 0.94 -0.04 -0.09 0.09 0.00 0.00 178.44 179.34 1k82 h ARG 207 N 0.94 -0.05 -0.70 1.13 9.65 -0.74 -0.73 114.38 123.88 1k82 h ARG 207 Ca 0.20 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 59.07 1k82 h ARG 207 Cb 0.35 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.91 1k82 h ARG 207 CO 0.00 -0.03 0.36 1.03 2.80 0.00 0.00 179.97 184.13 1k82 h SER 208 N -0.05 0.88 -0.32 -3.80 0.87 -0.98 -1.26 113.55 108.90 1k82 h SER 208 Ca 0.03 -0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1k82 h SER 208 Cb 0.09 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 1k82 h SER 208 CO -0.07 0.73 0.19 0.40 -0.53 0.00 0.00 176.83 177.55 1k82 h ILE 209 N 0.98 1.11 -0.65 2.23 2.04 -0.82 0.26 117.51 122.67 1k82 h ILE 209 Ca 0.25 -0.27 0.18 0.00 1.00 0.00 0.00 64.86 66.02 1k82 h ILE 209 Cb 0.06 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 1k82 h ILE 209 CO -0.04 0.11 0.46 -0.08 0.00 0.00 0.00 178.15 178.61 1k82 h GLU 210 N 0.41 0.03 -0.44 2.37 4.81 0.01 -0.85 114.58 120.92 1k82 h GLU 210 Ca 0.11 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1k82 h GLU 210 Cb 0.02 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1k82 h GLU 210 CO -0.02 0.02 0.00 1.04 -0.73 0.00 0.00 179.01 179.32 1k82 n GLN 211 N -4.36 3.23 -0.75 1.92 6.02 -0.81 -4.96 117.38 117.68 1k82 n GLN 211 Ca 0.13 -2.61 0.00 0.00 -0.01 0.00 0.00 57.00 54.51 1k82 n GLN 211 Cb 0.70 -1.68 0.00 0.00 1.02 0.00 0.00 30.24 30.28 1k82 n GLN 211 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1k82 n GLY 212 N 0.46 0.60 3.77 1.08 0.00 -0.32 -1.92 105.19 108.86 1k82 n GLY 212 Ca 0.20 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1k82 n GLY 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k82 n GLY 213 N -2.75 -2.24 3.38 -0.02 0.00 0.84 -4.22 105.19 100.19 1k82 n GLY 213 Ca 0.00 -1.60 -0.35 0.00 0.00 0.00 0.00 46.02 44.08 1k82 n GLY 213 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k82 s THR 214 N -0.31 3.60 -0.37 2.61 2.01 -1.26 -2.06 115.64 119.85 1k82 s THR 214 Ca 0.00 -0.43 -0.10 0.00 0.31 0.00 0.00 61.69 61.47 1k82 s THR 214 Cb 0.00 -2.61 0.04 0.00 0.01 0.00 0.00 72.50 69.93 1k82 s THR 214 CO 0.00 0.44 0.19 -0.89 -0.69 0.00 0.00 174.62 173.67 1k82 s THR 215 N 1.07 4.35 -0.26 -0.82 2.01 -1.25 -4.88 115.64 115.86 1k82 s THR 215 Ca 0.01 -0.98 0.13 0.00 0.31 0.00 0.00 61.69 61.17 1k82 s THR 215 Cb -0.15 -3.46 0.77 0.00 0.01 0.00 0.00 72.50 69.67 1k82 s THR 215 CO 0.00 -0.25 1.73 0.18 -0.69 0.00 0.00 174.62 175.60 1k82 n LEU 216 N 4.95 5.64 -3.31 4.42 4.32 -1.26 -4.88 117.00 126.87 1k82 n LEU 216 Ca -0.12 -3.04 -0.30 0.00 -0.02 0.00 0.00 56.01 52.53 1k82 n LEU 216 Cb 0.45 -0.69 0.02 0.00 -1.62 0.00 0.00 43.42 41.59 1k82 n LEU 216 CO 0.35 0.70 -0.85 1.17 -1.22 0.00 0.00 177.39 177.54 1k82 n LYS 225 N 0.25 0.00 0.00 3.23 0.00 -1.26 -5.21 118.16 115.17 1k82 n LYS 225 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.62 1k82 n LYS 225 Cb 1.22 -0.81 0.00 0.00 0.00 0.00 0.00 35.03 35.45 1k82 n LYS 225 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1k82 n PRO 226 N 1.69 -0.10 -4.33 1.64 -0.02 -1.26 -5.06 135.00 127.55 1k82 n PRO 226 Ca 0.02 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.16 1k82 n PRO 226 Cb 0.42 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.81 1k82 n PRO 226 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1k82 s GLY 227 N -1.86 1.86 -0.10 -1.23 0.00 -1.26 -4.94 107.32 99.78 1k82 s GLY 227 Ca 0.00 -0.91 0.18 0.00 0.00 0.00 0.00 44.72 44.00 1k82 s GLY 227 CO 0.00 -0.74 1.61 -1.72 0.00 0.00 0.00 173.10 172.25 1k82 n TYR 228 N 1.65 1.42 0.18 1.90 0.53 -0.81 -3.77 117.16 118.25 1k82 n TYR 228 Ca -0.16 -0.61 0.07 0.00 -1.02 0.00 0.00 57.90 56.18 1k82 n TYR 228 Cb 0.53 -0.22 0.19 0.00 -1.03 0.00 0.00 39.34 38.81 1k82 n TYR 228 CO 0.00 0.00 0.00 0.35 -1.02 0.00 0.00 176.86 176.19 1k82 h PHE 229 N 3.99 0.00 -0.28 -0.72 3.57 -1.53 -3.17 116.94 118.80 1k82 h PHE 229 Ca 0.00 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.58 1k82 h PHE 229 Cb 1.41 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.14 1k82 h PHE 229 CO 0.73 0.31 0.24 0.00 -2.23 0.00 0.00 178.31 177.36 1k82 h ALA 230 N 1.69 2.12 0.00 2.41 0.00 -1.77 0.38 119.26 124.10 1k82 h ALA 230 Ca -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1k82 h ALA 230 Cb 1.11 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 1k82 h ALA 230 CO 0.04 -0.38 -0.12 -0.56 0.00 0.00 0.00 179.25 178.23 1k82 h GLN 231 N 0.00 0.00 -0.58 0.00 3.07 -1.89 -2.27 115.11 113.44 1k82 h GLN 231 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.88 1k82 h GLN 231 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.17 1k82 h GLN 231 CO -0.00 0.12 0.00 0.39 0.09 0.00 0.00 178.83 179.43 1k82 n GLU 232 N -3.28 2.61 -2.25 0.06 1.02 0.13 -4.92 120.64 114.02 1k82 n GLU 232 Ca 0.00 -2.02 -0.42 0.00 -0.02 0.00 0.00 57.16 54.71 1k82 n GLU 232 Cb 0.35 -1.57 -0.03 0.00 -0.02 0.00 0.00 31.44 30.18 1k82 n GLU 232 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1k82 s LEU 233 N -1.23 4.41 -0.11 -4.62 1.43 -0.86 -4.93 118.68 112.78 1k82 s LEU 233 Ca 0.37 2.33 0.00 0.00 -1.03 0.00 0.00 54.13 55.80 1k82 s LEU 233 Cb 0.21 -3.60 -0.25 0.00 0.03 0.00 0.00 46.19 42.59 1k82 s LEU 233 CO 0.21 -0.53 0.41 0.00 0.23 0.00 0.00 176.35 176.67 1k82 n GLN 234 N 3.02 0.71 0.00 1.70 1.13 -1.26 -4.84 117.38 117.85 1k82 n GLN 234 Ca 0.07 0.26 0.00 0.00 -1.94 0.00 0.00 57.00 55.39 1k82 n GLN 234 Cb 0.43 -1.72 0.00 0.00 0.11 0.00 0.00 30.24 29.07 1k82 n GLN 234 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 1k82 n VAL 235 N -3.32 0.00 -1.68 5.09 0.24 -1.26 -4.56 118.33 112.83 1k82 n VAL 235 Ca -0.28 0.00 -0.45 0.00 -2.04 0.00 0.00 64.34 61.57 1k82 n VAL 235 Cb 1.05 -0.21 -0.04 0.00 -1.47 0.00 0.00 33.84 33.18 1k82 n VAL 235 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1k82 n TYR 236 N -1.26 2.45 -1.33 6.34 9.36 -1.26 -1.75 117.16 129.71 1k82 n TYR 236 Ca 0.00 0.10 -0.11 0.00 3.32 0.00 0.00 57.90 61.21 1k82 n TYR 236 Cb 0.13 -2.62 -0.05 0.00 -0.63 0.00 0.00 39.34 36.17 1k82 n TYR 236 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1k82 n GLY 237 N 3.81 1.22 0.88 2.98 0.00 -1.26 -4.89 105.19 107.94 1k82 n GLY 237 Ca 0.18 -0.32 0.01 0.00 0.00 0.00 0.00 46.02 45.88 1k82 n GLY 237 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k82 n ARG 238 N -2.24 1.71 -1.60 1.61 1.74 -0.72 -5.04 116.66 112.11 1k82 n ARG 238 Ca -0.11 -3.26 -0.48 0.00 -0.77 0.00 0.00 57.85 53.22 1k82 n ARG 238 Cb 0.43 -1.72 -0.04 0.00 -1.02 0.00 0.00 32.46 30.11 1k82 n ARG 238 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1k82 n LYS 239 N -1.12 1.40 0.00 5.56 4.81 -1.26 -0.88 118.16 126.67 1k82 n LYS 239 Ca 0.26 0.50 0.00 0.00 -0.87 0.00 0.00 58.31 58.20 1k82 n LYS 239 Cb 0.86 -2.07 0.00 0.00 0.02 0.00 0.00 35.03 33.84 1k82 n LYS 239 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1k82 n GLY 240 N 2.21 2.62 3.78 3.14 0.00 -0.53 -4.91 105.19 111.50 1k82 n GLY 240 Ca 0.15 -0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1k82 n GLY 240 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k82 s GLU 241 N 0.00 2.71 0.19 1.61 2.02 -0.06 -4.28 118.70 120.89 1k82 s GLU 241 Ca 0.00 1.24 -0.30 0.00 0.02 0.00 0.00 54.97 55.93 1k82 s GLU 241 Cb 0.00 -1.95 -0.08 0.00 0.10 0.00 0.00 34.13 32.20 1k82 s GLU 241 CO 0.00 -1.30 1.23 -1.25 0.02 0.00 0.00 175.26 173.96 1k82 s PRO 242 N -4.46 4.46 0.06 0.39 0.04 -1.26 0.11 135.00 134.33 1k82 s PRO 242 Ca 0.64 1.93 -0.35 0.00 0.04 0.00 0.00 61.00 63.26 1k82 s PRO 242 Cb -0.18 -3.22 -0.14 0.00 0.04 0.00 0.00 34.50 31.00 1k82 s PRO 242 CO 0.47 -0.14 1.64 0.00 0.04 0.00 0.00 177.00 179.01 1k82 h ARG 244 N 6.72 0.00 0.04 0.00 3.08 -1.89 0.68 114.38 123.00 1k82 h ARG 244 Ca -0.46 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.22 1k82 h ARG 244 Cb 1.27 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.28 1k82 h ARG 244 CO 0.89 0.00 -2.13 0.28 -1.07 0.00 0.00 179.97 177.94 1k82 n VAL 245 N -3.01 1.60 -0.16 2.04 0.31 -1.26 -4.74 118.33 113.10 1k82 n VAL 245 Ca -0.03 -0.46 0.00 0.00 -0.01 0.00 0.00 64.34 63.84 1k82 n VAL 245 Cb 0.08 -1.72 0.00 0.00 -0.91 0.00 0.00 33.84 31.30 1k82 n VAL 245 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1k82 n GLY 247 N -0.03 2.82 3.74 0.00 0.00 0.23 -4.89 105.19 107.06 1k82 n GLY 247 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1k82 n GLY 247 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k82 s THR 248 N -1.99 2.04 0.11 2.61 2.01 -1.26 -3.64 115.64 115.52 1k82 s THR 248 Ca 0.00 0.03 -0.33 0.00 0.31 0.00 0.00 61.69 61.70 1k82 s THR 248 Cb 0.00 -3.02 -0.13 0.00 0.01 0.00 0.00 72.50 69.36 1k82 s THR 248 CO 0.00 0.00 1.71 -2.65 -0.69 0.00 0.00 174.62 173.00 1k82 n PRO 249 N 2.87 2.36 -1.95 4.92 -0.02 -1.26 0.98 135.00 142.91 1k82 n PRO 249 Ca 0.11 0.86 -0.41 0.00 -2.02 0.00 0.00 63.50 62.04 1k82 n PRO 249 Cb 0.36 -2.68 -0.02 0.00 -0.02 0.00 0.00 33.50 31.15 1k82 n PRO 249 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1k82 s ILE 250 N 1.98 2.42 -0.12 4.25 -1.09 0.31 -4.76 121.20 124.18 1k82 s ILE 250 Ca 0.82 0.39 -0.08 0.00 -2.23 0.00 0.00 60.65 59.54 1k82 s ILE 250 Cb -0.62 -3.25 -0.04 0.00 -1.58 0.00 0.00 42.46 36.97 1k82 s ILE 250 CO 0.40 0.08 0.16 -0.69 -1.23 0.00 0.00 174.94 173.66 1k82 s VAL 251 N -0.60 5.45 -0.05 2.92 1.01 0.86 -1.46 120.40 128.54 1k82 s VAL 251 Ca 0.55 0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.82 1k82 s VAL 251 Cb -0.43 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 1k82 s VAL 251 CO 0.52 0.59 -0.06 0.00 0.00 0.00 0.00 175.10 176.15 1k82 s ALA 252 N -0.83 3.04 0.00 5.51 0.00 -1.26 -1.25 121.76 126.97 1k82 s ALA 252 Ca 0.15 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.19 1k82 s ALA 252 Cb -0.12 -1.23 0.00 0.00 0.00 0.00 0.00 23.12 21.76 1k82 s ALA 252 CO 0.04 0.59 0.00 -2.37 0.00 0.00 0.00 175.76 174.02 1k82 n THR 253 N 1.99 0.00 -3.75 0.00 5.66 0.77 -4.99 114.28 113.96 1k82 n THR 253 Ca -0.17 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.69 1k82 n THR 253 Cb 0.53 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.22 1k82 n THR 253 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1k82 s LYS 254 N 1.11 0.65 -0.06 1.09 1.02 -1.26 -1.49 119.74 120.80 1k82 s LYS 254 Ca 0.00 -0.07 -0.01 0.00 0.02 0.00 0.00 55.97 55.91 1k82 s LYS 254 Cb 0.00 0.29 0.03 0.00 -0.52 0.00 0.00 37.83 37.63 1k82 s LYS 254 CO 0.00 -0.17 0.01 -1.01 -0.92 0.00 0.00 175.35 173.26 1k82 s HIS 255 N -1.11 0.52 -1.56 3.18 3.76 -0.56 -4.78 115.29 114.75 1k82 s HIS 255 Ca -0.12 -0.07 -0.01 0.00 -0.15 0.00 0.00 55.06 54.71 1k82 s HIS 255 Cb -0.05 -0.69 0.00 0.00 1.11 0.00 0.00 32.58 32.95 1k82 s HIS 255 CO 0.04 -0.27 0.12 0.00 -0.85 0.00 0.00 174.74 173.77 1k82 n ALA 256 N 5.02 -0.73 -1.49 -1.40 0.00 -1.26 -1.30 120.51 119.35 1k82 n ALA 256 Ca -0.09 0.17 -0.17 0.00 0.00 0.00 0.00 53.44 53.35 1k82 n ALA 256 Cb 0.50 -2.33 -0.07 0.00 0.00 0.00 0.00 19.45 17.55 1k82 n ALA 256 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1k82 n GLN 257 N -3.16 -1.16 -3.83 0.00 1.13 -1.26 -5.01 117.38 104.09 1k82 n GLN 257 Ca -0.19 1.09 -0.36 0.00 -1.94 0.00 0.00 57.00 55.59 1k82 n GLN 257 Cb 0.65 -5.30 -0.07 0.00 0.11 0.00 0.00 30.24 25.64 1k82 n GLN 257 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1k82 s ARG 258 N -3.43 3.67 0.26 -1.09 1.81 -0.42 -5.06 118.95 114.69 1k82 s ARG 258 Ca 0.00 -0.15 -0.30 0.00 -1.72 0.00 0.00 55.73 53.56 1k82 s ARG 258 Cb 0.00 -3.26 -0.11 0.00 -0.45 0.00 0.00 34.95 31.13 1k82 s ARG 258 CO 0.00 0.63 1.55 0.00 -0.68 0.00 0.00 175.30 176.80 1k82 s ALA 259 N -0.61 3.72 0.03 2.13 0.00 -1.26 -1.49 121.76 124.28 1k82 s ALA 259 Ca 0.13 1.47 0.06 0.00 0.00 0.00 0.00 51.96 53.62 1k82 s ALA 259 Cb -0.12 -3.62 -0.02 0.00 0.00 0.00 0.00 23.12 19.36 1k82 s ALA 259 CO 0.02 -0.88 -0.17 0.95 0.00 0.00 0.00 175.76 175.68 1k82 s THR 260 N 0.17 1.36 -0.04 0.00 -4.23 -0.56 -4.88 115.64 107.46 1k82 s THR 260 Ca 0.63 -1.04 0.04 0.00 -1.18 0.00 0.00 61.69 60.15 1k82 s THR 260 Cb -0.46 -1.20 -0.00 0.00 1.34 0.00 0.00 72.50 72.18 1k82 s THR 260 CO 0.44 0.14 -0.16 -0.36 -0.54 0.00 0.00 174.62 174.14 1k82 s PHE 261 N -0.76 1.59 0.24 3.99 0.40 -1.26 -0.16 117.98 122.02 1k82 s PHE 261 Ca 0.05 -0.45 -0.17 0.00 -0.60 0.00 0.00 56.93 55.75 1k82 s PHE 261 Cb -0.08 -1.08 0.02 0.00 0.51 0.00 0.00 43.02 42.39 1k82 s PHE 261 CO 0.01 -0.16 0.59 1.52 0.70 0.00 0.00 175.22 177.88 1k82 s TYR 262 N 0.08 -0.00 -0.29 0.36 1.13 -0.38 -4.76 117.35 113.50 1k82 s TYR 262 Ca -0.04 -0.39 -0.10 0.00 -1.41 0.00 0.00 57.07 55.13 1k82 s TYR 262 Cb -0.11 0.46 -0.03 0.00 -1.10 0.00 0.00 41.96 41.17 1k82 s TYR 262 CO 0.02 -1.07 0.15 0.00 -2.51 0.00 0.00 175.55 172.15 1k82 n ARG 264 N 5.01 0.06 -0.11 0.00 1.85 -1.26 -1.24 116.66 120.97 1k82 n ARG 264 Ca -0.14 0.33 -0.20 0.00 -1.00 0.00 0.00 57.85 56.84 1k82 n ARG 264 Cb 0.51 -1.63 -0.09 0.00 -1.05 0.00 0.00 32.46 30.20 1k82 n ARG 264 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 1k82 n GLN 265 N -1.75 0.55 0.26 2.89 7.27 -1.26 -4.49 117.38 120.85 1k82 n GLN 265 Ca 0.03 0.47 0.15 0.00 0.07 0.00 0.00 57.00 57.73 1k82 n GLN 265 Cb 0.17 -1.66 0.51 0.00 2.41 0.00 0.00 30.24 31.67 1k82 n GLN 265 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1k82 s GLN 267 N -3.51 3.35 0.00 0.00 -0.21 -0.37 -4.53 119.66 114.39 1k82 s GLN 267 Ca 0.03 -0.61 0.00 0.00 0.02 0.00 0.00 55.36 54.81 1k82 s GLN 267 Cb 0.08 -2.71 0.00 0.00 1.00 0.00 0.00 33.01 31.37 1k82 s GLN 267 CO 0.58 0.31 0.00 1.63 -2.12 0.00 0.00 175.29 175.70