#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p0p h ALA 2 N 0.00 1.48 0.00 3.17 0.00 -1.92 -3.33 119.26 118.65 2p0p h ALA 2 Ca 0.00 -0.20 -0.45 0.00 0.00 0.00 0.00 54.91 54.26 2p0p h ALA 2 Cb 0.00 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 17.72 2p0p h ALA 2 CO 0.00 0.37 2.43 0.43 0.00 0.00 0.00 179.25 182.48 2p0p n SER 3 N -4.28 3.90 0.31 0.00 7.64 -1.26 -4.19 113.62 115.75 2p0p n SER 3 Ca -0.00 -2.42 0.19 0.00 1.01 0.00 0.00 58.87 57.65 2p0p n SER 3 Cb 0.26 -1.07 1.05 0.00 -1.01 0.00 0.00 64.21 63.45 2p0p n SER 3 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 2p0p h VAL 4 N 3.80 0.25 -3.69 0.44 -1.51 -1.91 -3.40 116.25 110.24 2p0p h VAL 4 Ca 0.45 0.00 -0.66 0.00 -1.23 0.00 0.00 66.70 65.26 2p0p h VAL 4 Cb 0.31 0.97 -0.21 0.00 -2.13 0.00 0.00 31.29 30.23 2p0p h VAL 4 CO 1.59 0.00 -0.85 -1.83 -1.23 0.00 0.00 177.57 175.25 2p0p s GLU 5 N -4.38 1.39 0.00 5.19 1.03 -1.26 -5.05 118.70 115.62 2p0p s GLU 5 Ca -0.05 -1.38 0.00 0.00 0.03 0.00 0.00 54.97 53.57 2p0p s GLU 5 Cb 0.14 -1.80 0.00 0.00 -0.80 0.00 0.00 34.13 31.67 2p0p s GLU 5 CO 0.47 0.41 0.14 0.54 -1.33 0.00 0.00 175.26 175.49 2p0p n ARG 6 N 0.73 0.15 -2.55 -4.83 1.74 -1.26 -4.93 116.66 105.70 2p0p n ARG 6 Ca -0.16 -0.14 -0.41 0.00 -0.77 0.00 0.00 57.85 56.36 2p0p n ARG 6 Cb 0.54 -0.58 -0.02 0.00 -1.02 0.00 0.00 32.46 31.37 2p0p n ARG 6 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2p0p s ASP 7 N -0.06 6.54 0.36 0.55 2.15 -1.26 -4.84 116.67 120.11 2p0p s ASP 7 Ca 0.00 -1.66 0.22 0.00 0.43 0.00 0.00 52.55 51.55 2p0p s ASP 7 Cb 0.00 -2.57 1.22 0.00 -0.30 0.00 0.00 42.92 41.27 2p0p s ASP 7 CO 0.00 -1.47 1.67 -0.33 -0.17 0.00 0.00 175.17 174.87 2p0p h GLU 8 N 9.33 0.00 -0.70 4.34 5.08 -2.01 -1.49 114.58 129.13 2p0p h GLU 8 Ca 0.25 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.73 2p0p h GLU 8 Cb 0.98 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.18 2p0p h GLU 8 CO 1.43 0.00 0.46 1.15 -1.00 0.00 0.00 179.01 181.05 2p0p h THR 9 N 0.00 0.88 -0.25 1.13 2.02 -1.99 -0.43 112.91 114.27 2p0p h THR 9 Ca 0.00 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 2p0p h THR 9 Cb 0.14 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 2p0p h THR 9 CO 0.00 0.09 0.09 0.03 0.37 0.00 0.00 175.52 176.10 2p0p h ARG 10 N 0.49 0.38 -0.46 6.66 2.47 -1.69 0.86 114.38 123.10 2p0p h ARG 10 Ca 0.33 -0.07 -0.04 0.00 -1.26 0.00 0.00 59.98 58.94 2p0p h ARG 10 Cb 0.61 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.85 2p0p h ARG 10 CO -0.11 0.43 0.14 0.93 0.56 0.00 0.00 179.97 181.92 2p0p h GLU 11 N 0.25 0.72 0.61 0.04 5.08 -1.50 -0.21 114.58 119.57 2p0p h GLU 11 Ca 0.08 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 2p0p h GLU 11 Cb 0.20 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2p0p h GLU 11 CO -0.01 0.69 -0.42 1.25 -1.00 0.00 0.00 179.01 179.53 2p0p h HIS 12 N 0.61 -1.12 -0.31 4.33 -0.00 -1.05 -2.84 115.15 114.78 2p0p h HIS 12 Ca 0.15 -0.01 -0.11 0.00 -0.00 0.00 0.00 60.37 60.40 2p0p h HIS 12 Cb 0.28 0.41 -0.01 0.00 -0.00 0.00 0.00 27.41 28.08 2p0p h HIS 12 CO 0.01 -0.61 -0.27 0.00 -0.00 0.00 0.00 177.93 177.06 2p0p h ARG 13 N -0.98 0.62 -0.73 5.26 3.08 -0.56 -0.03 114.38 121.03 2p0p h ARG 13 Ca -0.07 -0.26 -0.06 0.00 0.07 0.00 0.00 59.98 59.66 2p0p h ARG 13 Cb 0.81 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.80 2p0p h ARG 13 CO 0.05 0.83 0.23 0.97 -1.07 0.00 0.00 179.97 180.97 2p0p h ILE 14 N 0.54 1.26 -0.28 2.04 2.10 -1.10 0.30 117.51 122.37 2p0p h ILE 14 Ca 0.07 -0.90 -0.02 0.00 1.08 0.00 0.00 64.86 65.09 2p0p h ILE 14 Cb 0.74 0.46 -0.01 0.00 -1.09 0.00 0.00 36.82 36.91 2p0p h ILE 14 CO 0.06 0.35 0.09 -0.08 -1.08 0.00 0.00 178.15 177.49 2p0p h GLU 15 N 1.09 0.44 -0.01 2.19 4.57 -1.16 -1.74 114.58 119.95 2p0p h GLU 15 Ca 0.24 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 2p0p h GLU 15 Cb 0.30 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 2p0p h GLU 15 CO -0.01 0.50 -0.22 0.25 -1.18 0.00 0.00 179.01 178.35 2p0p n THR 16 N -4.71 0.00 0.00 0.32 -2.24 -0.08 -3.60 114.28 103.97 2p0p n THR 16 Ca -0.02 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 2p0p n THR 16 Cb 0.16 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 2p0p n THR 16 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2p0p n GLU 17 N -0.33 4.18 -0.02 -0.78 1.02 0.07 -4.86 120.64 119.92 2p0p n GLU 17 Ca 0.13 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.25 2p0p n GLU 17 Cb 0.37 -0.58 -0.03 0.00 -0.02 0.00 0.00 31.44 31.18 2p0p n GLU 17 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2p0p n ILE 18 N -0.34 0.31 -1.55 -3.67 5.41 -0.71 -4.74 119.36 114.07 2p0p n ILE 18 Ca 0.00 -0.17 0.06 0.00 1.00 0.00 0.00 62.75 63.65 2p0p n ILE 18 Cb 0.02 -0.83 0.13 0.00 -0.71 0.00 0.00 39.64 38.24 2p0p n ILE 18 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 2p0p n ILE 19 N -2.32 1.48 -0.34 1.39 -5.35 -0.88 -4.40 119.36 108.94 2p0p n ILE 19 Ca -0.08 -2.08 0.25 0.00 -0.27 0.00 0.00 62.75 60.57 2p0p n ILE 19 Cb 0.63 0.02 0.53 0.00 -1.74 0.00 0.00 39.64 39.08 2p0p n ILE 19 CO 0.00 0.00 0.00 -0.37 -1.76 0.00 0.00 176.55 174.42 2p0p h VAL 20 N 2.23 0.45 -0.03 7.28 -1.51 -1.81 -2.13 116.25 120.74 2p0p h VAL 20 Ca -0.03 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.32 2p0p h VAL 20 Cb 1.17 0.08 0.00 0.00 -2.13 0.00 0.00 31.29 30.41 2p0p h VAL 20 CO 0.01 0.06 0.00 -0.67 -1.23 0.00 0.00 177.57 175.74 2p0p n ASP 21 N -4.65 1.51 -4.77 4.19 2.03 -1.26 -5.02 116.55 108.57 2p0p n ASP 21 Ca 0.27 -1.33 -0.38 0.00 0.52 0.00 0.00 54.79 53.88 2p0p n ASP 21 Cb 0.96 -0.02 -0.06 0.00 -0.72 0.00 0.00 41.12 41.29 2p0p n ASP 21 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2p0p s ALA 22 N -0.45 3.23 0.00 -1.67 0.00 -0.80 -4.94 121.76 117.13 2p0p s ALA 22 Ca 0.05 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.62 2p0p s ALA 22 Cb 0.03 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.93 2p0p s ALA 22 CO 0.05 0.07 0.00 0.39 0.00 0.00 0.00 175.76 176.27 2p0p n GLU 23 N 0.65 3.27 -4.30 0.00 1.02 -1.26 -4.94 120.64 115.09 2p0p n GLU 23 Ca 0.02 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.88 2p0p n GLU 23 Cb 0.49 -0.70 -0.10 0.00 -0.02 0.00 0.00 31.44 31.11 2p0p n GLU 23 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2p0p s ASP 24 N -0.88 4.10 0.36 1.62 2.15 -1.26 -5.02 116.67 117.74 2p0p s ASP 24 Ca 0.00 -0.59 0.16 0.00 0.43 0.00 0.00 52.55 52.54 2p0p s ASP 24 Cb 0.00 -0.64 1.08 0.00 -0.30 0.00 0.00 42.92 43.05 2p0p s ASP 24 CO 0.00 0.12 1.70 0.07 -0.17 0.00 0.00 175.17 176.89 2p0p h LYS 25 N 3.14 0.37 -0.29 4.34 2.10 -1.97 -0.89 116.57 123.38 2p0p h LYS 25 Ca -0.47 -0.02 -0.18 0.00 -2.00 0.00 0.00 60.65 57.97 2p0p h LYS 25 Cb 1.20 -0.08 -0.00 0.00 -0.90 0.00 0.00 32.23 32.44 2p0p h LYS 25 CO 0.52 0.24 -0.53 0.93 -2.00 0.00 0.00 179.45 178.62 2p0p h GLU 26 N 0.38 0.86 -0.33 0.07 5.08 -1.89 0.22 114.58 118.97 2p0p h GLU 26 Ca 0.69 -0.53 -0.15 0.00 -1.00 0.00 0.00 59.36 58.37 2p0p h GLU 26 Cb 1.63 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.93 2p0p h GLU 26 CO -0.49 1.17 -0.37 0.93 -1.00 0.00 0.00 179.01 179.24 2p0p h GLU 27 N 0.67 0.83 -0.87 2.33 5.08 -1.55 -0.94 114.58 120.13 2p0p h GLU 27 Ca 0.02 -0.46 -0.01 0.00 -1.00 0.00 0.00 59.36 57.91 2p0p h GLU 27 Cb 1.13 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.36 2p0p h GLU 27 CO 0.12 1.09 0.49 0.00 -1.00 0.00 0.00 179.01 179.71 2p0p h ARG 28 N 0.61 1.21 -0.80 2.33 3.08 -1.13 -0.74 114.38 118.94 2p0p h ARG 28 Ca 0.05 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 59.92 2p0p h ARG 28 Cb 0.96 -0.24 -0.04 0.00 0.08 0.00 0.00 29.97 30.74 2p0p h ARG 28 CO 0.09 0.88 0.34 0.00 -1.07 0.00 0.00 179.97 180.21 2p0p h ALA 29 N 1.26 1.04 -0.46 0.04 0.00 -0.57 -0.63 119.26 119.94 2p0p h ALA 29 Ca 0.31 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 2p0p h ALA 29 Cb 0.01 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 2p0p h ALA 29 CO -0.05 0.66 0.08 0.52 0.00 0.00 0.00 179.25 180.45 2p0p h MET 30 N 1.16 0.77 0.10 0.00 2.86 -0.80 0.74 114.93 119.77 2p0p h MET 30 Ca 0.27 -0.21 0.02 0.00 -2.06 0.00 0.00 59.70 57.72 2p0p h MET 30 Cb 0.19 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 2p0p h MET 30 CO -0.03 0.78 -0.24 0.78 1.06 0.00 0.00 176.91 179.26 2p0p h GLY 31 N 0.64 -0.44 0.25 8.32 0.00 -0.64 0.08 103.07 111.28 2p0p h GLY 31 Ca 0.14 0.29 0.03 0.00 0.00 0.00 0.00 47.33 47.79 2p0p h GLY 31 CO 0.01 -0.21 -0.37 1.49 0.00 0.00 0.00 176.54 177.46 2p0p h TRP 32 N -0.44 -1.04 -0.41 5.60 4.06 -1.10 -2.87 115.95 119.76 2p0p h TRP 32 Ca 0.03 0.03 0.07 0.00 2.06 0.00 0.00 58.89 61.09 2p0p h TRP 32 Cb 0.47 0.45 -0.06 0.00 -1.00 0.00 0.00 29.16 29.02 2p0p h TRP 32 CO -0.23 -0.46 0.03 -0.92 -3.56 0.00 0.00 178.44 173.29 2p0p h TYR 33 N -0.54 0.04 0.09 0.49 3.20 -0.39 -0.51 116.97 119.34 2p0p h TYR 33 Ca 0.05 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.94 2p0p h TYR 33 Cb 0.62 0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.93 2p0p h TYR 33 CO -0.37 -0.05 -0.04 1.88 -1.64 0.00 0.00 178.16 177.93 2p0p h TYR 34 N 0.14 -0.12 -0.33 -3.82 0.05 -0.89 -1.10 116.97 110.91 2p0p h TYR 34 Ca 0.20 -0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.83 2p0p h TYR 34 Cb 0.27 0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.04 2p0p h TYR 34 CO -0.24 0.06 -0.37 0.10 -1.05 0.00 0.00 178.16 176.66 2p0p h TYR 35 N -0.28 0.92 0.26 4.88 -0.00 -1.33 -2.68 116.97 118.74 2p0p h TYR 35 Ca -0.01 -0.26 -0.01 0.00 -0.00 0.00 0.00 58.73 58.44 2p0p h TYR 35 Cb 0.23 -0.20 0.00 0.00 -0.00 0.00 0.00 36.73 36.77 2p0p h TYR 35 CO -0.02 1.02 -0.12 1.25 -0.00 0.00 0.00 178.16 180.29 2p0p h LEU 36 N 0.64 -0.29 -1.04 0.10 6.46 -0.91 -0.94 115.31 119.32 2p0p h LEU 36 Ca 0.06 -0.20 -0.02 0.00 -0.12 0.00 0.00 57.88 57.60 2p0p h LEU 36 Cb 0.91 0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 40.88 2p0p h LEU 36 CO 0.08 0.06 0.39 -0.78 -0.62 0.00 0.00 178.44 177.58 2p0p h ASP 37 N -0.68 0.96 0.20 1.25 3.58 -1.28 0.01 116.42 120.47 2p0p h ASP 37 Ca -0.04 -0.09 -0.03 0.00 0.42 0.00 0.00 57.03 57.30 2p0p h ASP 37 Cb 0.47 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 41.27 2p0p h ASP 37 CO 0.06 0.79 -0.12 -0.78 -2.88 0.00 0.00 179.24 176.30 2p0p h ASP 38 N 1.07 0.00 0.61 2.28 3.58 -1.37 -2.91 116.42 119.68 2p0p h ASP 38 Ca 0.27 0.00 -0.27 0.00 0.42 0.00 0.00 57.03 57.44 2p0p h ASP 38 Cb 0.06 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.08 2p0p h ASP 38 CO -0.04 0.12 -1.46 0.74 -2.88 0.00 0.00 179.24 175.73 2p0p h THR 39 N 0.00 1.19 -2.39 2.25 2.02 0.37 -3.46 112.91 112.89 2p0p h THR 39 Ca -0.00 -2.93 -0.54 0.00 0.77 0.00 0.00 66.41 63.71 2p0p h THR 39 Cb 0.26 2.65 0.03 0.00 -1.74 0.00 0.00 68.15 69.35 2p0p h THR 39 CO 0.02 0.75 1.15 0.18 0.37 0.00 0.00 175.52 177.98 2p0p n LEU 40 N -3.28 4.01 -1.94 2.58 4.77 -0.25 -4.37 117.00 118.52 2p0p n LEU 40 Ca -0.12 0.96 -0.11 0.00 -0.03 0.00 0.00 56.01 56.70 2p0p n LEU 40 Cb 1.02 -1.52 -0.12 0.00 -2.33 0.00 0.00 43.42 40.47 2p0p n LEU 40 CO 0.47 0.15 1.47 -0.62 -1.33 0.00 0.00 177.39 177.54 2p0p n GLU 41 N 6.41 1.82 -1.40 3.23 -0.58 -1.26 -4.96 120.64 123.90 2p0p n GLU 41 Ca 0.19 -0.94 -0.32 0.00 -0.42 0.00 0.00 57.16 55.67 2p0p n GLU 41 Cb 0.38 -1.79 0.09 0.00 -0.57 0.00 0.00 31.44 29.54 2p0p n GLU 41 CO 0.00 0.00 0.00 -0.59 -0.48 0.00 0.00 177.13 176.06 2p0p s PHE 42 N 0.45 2.36 0.73 -0.32 -0.12 -1.26 -4.45 117.98 115.36 2p0p s PHE 42 Ca 0.51 1.60 -0.14 0.00 -0.05 0.00 0.00 56.93 58.85 2p0p s PHE 42 Cb 0.26 -3.22 0.04 0.00 -0.63 0.00 0.00 43.02 39.47 2p0p s PHE 42 CO -0.02 -2.05 1.16 -2.14 -0.05 0.00 0.00 175.22 172.12 2p0p s PRO 43 N -4.37 2.24 0.00 1.99 0.02 -1.26 -5.03 135.00 128.58 2p0p s PRO 43 Ca 0.67 1.59 0.00 0.00 0.02 0.00 0.00 61.00 63.27 2p0p s PRO 43 Cb -0.21 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.44 2p0p s PRO 43 CO 0.49 -1.72 0.00 1.97 -0.33 0.00 0.00 177.00 177.41 2p0p n PHE 44 N -2.82 -0.27 -4.38 6.54 -1.74 -0.19 -5.01 117.46 109.59 2p0p n PHE 44 Ca 0.12 0.00 -0.19 0.00 -0.56 0.00 0.00 57.45 56.82 2p0p n PHE 44 Cb 0.51 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.41 2p0p n PHE 44 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2p0p s MET 45 N -1.81 1.52 0.16 3.97 0.23 -1.25 -0.31 119.30 121.81 2p0p s MET 45 Ca 0.00 -1.83 -0.16 0.00 -1.03 0.00 0.00 55.69 52.68 2p0p s MET 45 Cb 0.00 -0.60 0.06 0.00 -1.53 0.00 0.00 34.83 32.76 2p0p s MET 45 CO 0.00 -0.22 0.75 0.41 -2.03 0.00 0.00 175.02 173.93 2p0p n GLY 46 N -0.57 0.83 3.27 3.16 0.00 -0.19 -1.25 105.19 110.44 2p0p n GLY 46 Ca -0.02 -1.11 -0.33 0.00 0.00 0.00 0.00 46.02 44.56 2p0p n GLY 46 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2p0p s LYS 47 N -2.04 3.23 -0.57 1.61 2.47 0.24 -0.88 119.74 123.79 2p0p s LYS 47 Ca 0.17 -0.74 -0.28 0.00 -1.56 0.00 0.00 55.97 53.56 2p0p s LYS 47 Cb -0.02 -2.66 0.01 0.00 -1.46 0.00 0.00 37.83 33.70 2p0p s LYS 47 CO 0.05 -0.01 1.41 -0.46 0.16 0.00 0.00 175.35 176.49 2p0p s TRP 48 N 0.89 2.29 -0.52 4.03 -0.11 0.49 -0.98 118.94 125.02 2p0p s TRP 48 Ca -0.04 0.45 -0.06 0.00 1.22 0.00 0.00 56.10 57.68 2p0p s TRP 48 Cb -0.15 -4.40 -0.08 0.00 -1.50 0.00 0.00 33.47 27.33 2p0p s TRP 48 CO -0.01 -1.97 3.10 1.63 -4.62 0.00 0.00 176.95 175.08 2p0p n LYS 49 N 8.69 2.67 -1.60 5.86 4.76 -0.38 -1.86 118.16 136.31 2p0p n LYS 49 Ca 0.12 -1.92 -0.47 0.00 -2.87 0.00 0.00 58.31 53.17 2p0p n LYS 49 Cb 0.49 -2.23 -0.05 0.00 -1.84 0.00 0.00 35.03 31.41 2p0p n LYS 49 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2p0p n LYS 50 N 1.96 1.89 -2.01 1.97 4.81 0.02 -4.71 118.16 122.09 2p0p n LYS 50 Ca 0.52 0.61 -0.43 0.00 -0.87 0.00 0.00 58.31 58.15 2p0p n LYS 50 Cb 0.62 -2.81 -0.03 0.00 0.02 0.00 0.00 35.03 32.84 2p0p n LYS 50 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2p0p s LYS 51 N 5.35 3.96 0.12 1.64 2.20 -1.26 -0.59 119.74 131.16 2p0p s LYS 51 Ca 0.99 1.99 -0.16 0.00 -0.36 0.00 0.00 55.97 58.44 2p0p s LYS 51 Cb -0.60 -4.04 -0.02 0.00 -1.51 0.00 0.00 37.83 31.66 2p0p s LYS 51 CO 0.45 -1.11 1.63 0.77 -0.36 0.00 0.00 175.35 176.73 2p0p h SER 52 N 10.42 0.58 -2.52 1.43 0.02 -1.46 -3.48 113.55 118.54 2p0p h SER 52 Ca -0.38 -0.23 -0.10 0.00 -0.84 0.00 0.00 61.79 60.25 2p0p h SER 52 Cb 1.17 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.54 2p0p h SER 52 CO 0.97 0.66 0.00 0.54 -1.14 0.00 0.00 176.83 177.86 2p0p n ARG 53 N -4.58 0.44 -0.14 3.45 3.00 -1.26 -5.03 116.66 112.54 2p0p n ARG 53 Ca -0.01 -1.33 0.08 0.00 -0.01 0.00 0.00 57.85 56.59 2p0p n ARG 53 Cb 0.20 1.39 0.41 0.00 0.00 0.00 0.00 32.46 34.46 2p0p n ARG 53 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 2p0p h LYS 54 N 0.00 0.60 -7.19 5.56 3.64 -1.95 -3.43 116.57 113.80 2p0p h LYS 54 Ca -0.15 -0.04 -0.47 0.00 -1.27 0.00 0.00 60.65 58.72 2p0p h LYS 54 Cb 0.62 -0.14 0.21 0.00 -0.41 0.00 0.00 32.23 32.51 2p0p h LYS 54 CO 0.20 0.40 0.09 0.95 -2.27 0.00 0.00 179.45 178.82 2p0p s THR 55 N -5.57 2.04 -1.28 1.00 -4.23 -1.26 -4.90 115.64 101.44 2p0p s THR 55 Ca -0.09 0.01 0.12 0.00 -1.18 0.00 0.00 61.69 60.56 2p0p s THR 55 Cb 0.19 -2.05 0.18 0.00 1.34 0.00 0.00 72.50 72.16 2p0p s THR 55 CO 0.76 -0.02 1.33 -1.20 -0.54 0.00 0.00 174.62 174.95 2p0p n SER 56 N -4.68 0.00 -4.76 3.99 7.64 -1.26 -4.75 113.62 109.80 2p0p n SER 56 Ca 0.06 0.24 -0.39 0.00 1.01 0.00 0.00 58.87 59.80 2p0p n SER 56 Cb 0.53 -0.36 0.03 0.00 -1.01 0.00 0.00 64.21 63.40 2p0p n SER 56 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2p0p s THR 57 N -2.72 2.16 0.02 0.44 2.01 -1.26 -4.93 115.64 111.36 2p0p s THR 57 Ca 0.10 0.12 0.03 0.00 0.31 0.00 0.00 61.69 62.26 2p0p s THR 57 Cb 0.08 -3.07 -0.02 0.00 0.01 0.00 0.00 72.50 69.51 2p0p s THR 57 CO 0.20 0.01 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.40 2p0p s ILE 58 N -1.28 0.82 0.09 1.82 1.01 -1.26 -1.23 121.20 121.17 2p0p s ILE 58 Ca 0.67 -0.78 0.06 0.00 0.00 0.00 0.00 60.65 60.61 2p0p s ILE 58 Cb -0.41 -0.75 -0.04 0.00 0.01 0.00 0.00 42.46 41.27 2p0p s ILE 58 CO 0.50 -0.01 -0.07 -1.61 0.00 0.00 0.00 174.94 173.74 2p0p s GLU 59 N -0.88 2.26 -0.15 2.79 2.02 0.24 -4.85 118.70 120.13 2p0p s GLU 59 Ca -0.00 -0.96 -0.01 0.00 0.02 0.00 0.00 54.97 54.02 2p0p s GLU 59 Cb -0.07 -2.38 0.04 0.00 0.10 0.00 0.00 34.13 31.83 2p0p s GLU 59 CO 0.01 0.52 -0.03 -1.21 0.02 0.00 0.00 175.26 174.57 2p0p s GLU 60 N -2.17 1.17 -0.09 1.61 2.02 -1.26 -0.80 118.70 119.18 2p0p s GLU 60 Ca 0.22 -0.38 0.01 0.00 0.02 0.00 0.00 54.97 54.85 2p0p s GLU 60 Cb -0.11 -1.82 0.02 0.00 0.10 0.00 0.00 34.13 32.31 2p0p s GLU 60 CO 0.14 -0.44 -0.11 0.21 0.02 0.00 0.00 175.26 175.09 2p0p s LYS 61 N 1.73 1.72 0.18 1.61 2.20 -0.78 -4.96 119.74 121.45 2p0p s LYS 61 Ca 0.01 -0.38 -0.30 0.00 -0.36 0.00 0.00 55.97 54.94 2p0p s LYS 61 Cb -0.15 -1.53 -0.08 0.00 -1.51 0.00 0.00 37.83 34.56 2p0p s LYS 61 CO -0.07 -0.08 1.19 0.99 -0.36 0.00 0.00 175.35 177.02 2p0p s THR 62 N 1.04 3.60 0.05 3.43 2.01 -1.26 -0.38 115.64 124.13 2p0p s THR 62 Ca -0.07 1.35 -0.03 0.00 0.31 0.00 0.00 61.69 63.24 2p0p s THR 62 Cb -0.15 -3.86 -0.02 0.00 0.01 0.00 0.00 72.50 68.48 2p0p s THR 62 CO -0.01 0.21 0.04 0.68 -0.69 0.00 0.00 174.62 174.86 2p0p s VAL 63 N -0.05 0.17 -0.25 3.82 -7.23 -0.06 -1.48 120.40 115.32 2p0p s VAL 63 Ca 0.53 -1.40 -0.05 0.00 -1.81 0.00 0.00 61.98 59.24 2p0p s VAL 63 Cb -0.32 -1.17 -0.00 0.00 0.56 0.00 0.00 36.38 35.44 2p0p s VAL 63 CO 0.36 -0.77 0.01 -0.70 -0.31 0.00 0.00 175.10 173.69 2p0p s GLU 64 N -3.26 3.31 -0.27 4.82 2.12 -0.33 -1.03 118.70 124.05 2p0p s GLU 64 Ca 0.01 -0.69 -0.15 0.00 0.36 0.00 0.00 54.97 54.50 2p0p s GLU 64 Cb 0.03 -3.18 -0.03 0.00 0.26 0.00 0.00 34.13 31.21 2p0p s GLU 64 CO -0.08 -0.28 0.39 0.08 -0.54 0.00 0.00 175.26 174.84 2p0p s VAL 65 N 1.50 5.16 -0.26 3.70 1.01 0.58 -0.41 120.40 131.68 2p0p s VAL 65 Ca 0.05 0.59 0.21 0.00 0.00 0.00 0.00 61.98 62.82 2p0p s VAL 65 Cb -0.15 -3.72 0.07 0.00 0.00 0.00 0.00 36.38 32.57 2p0p s VAL 65 CO -0.00 0.13 1.19 -0.07 0.00 0.00 0.00 175.10 176.35 2p0p h LEU 66 N 8.64 0.00 0.00 3.92 3.38 -1.18 -0.49 115.31 129.58 2p0p h LEU 66 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2p0p h LEU 66 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2p0p h LEU 66 CO 0.66 0.13 0.00 0.61 0.09 0.00 0.00 178.44 179.93 2p0p n GLY 67 N 1.20 0.49 3.73 0.83 0.00 -1.25 -4.32 105.19 105.88 2p0p n GLY 67 Ca -0.00 -1.69 -0.36 0.00 0.00 0.00 0.00 46.02 43.97 2p0p n GLY 67 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2p0p s MET 68 N -1.44 2.52 1.12 1.61 -1.94 -1.26 -1.25 119.30 118.66 2p0p s MET 68 Ca 0.00 1.93 -0.13 0.00 -1.71 0.00 0.00 55.69 55.78 2p0p s MET 68 Cb 0.00 -1.86 0.26 0.00 2.01 0.00 0.00 34.83 35.24 2p0p s MET 68 CO 0.00 -1.59 1.05 0.00 -0.01 0.00 0.00 175.02 174.47 2p0p s ALA 69 N -1.60 -0.10 0.68 3.03 0.00 0.05 -4.34 121.76 119.48 2p0p s ALA 69 Ca 0.79 -0.24 -0.17 0.00 0.00 0.00 0.00 51.96 52.35 2p0p s ALA 69 Cb -0.34 -3.19 -0.05 0.00 0.00 0.00 0.00 23.12 19.53 2p0p s ALA 69 CO 0.40 -3.58 0.52 -2.30 0.00 0.00 0.00 175.76 170.80 2p0p n PRO 70 N -4.72 0.37 0.21 0.00 -0.02 -1.26 -4.70 135.00 124.89 2p0p n PRO 70 Ca 0.03 0.16 0.12 0.00 -2.02 0.00 0.00 63.50 61.80 2p0p n PRO 70 Cb 0.55 -1.79 0.71 0.00 -0.02 0.00 0.00 33.50 32.96 2p0p n PRO 70 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2p0p h ASP 71 N -0.17 0.00 -0.39 2.55 2.03 -1.94 -0.27 116.42 118.23 2p0p h ASP 71 Ca -0.46 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 55.84 2p0p h ASP 71 Cb 1.36 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.84 2p0p h ASP 71 CO 0.44 0.00 0.24 -0.78 -1.03 0.00 0.00 179.24 178.11 2p0p h ASP 72 N 0.00 0.48 0.16 4.15 3.58 -2.02 -2.51 116.42 120.26 2p0p h ASP 72 Ca 0.06 -0.02 -0.25 0.00 0.42 0.00 0.00 57.03 57.23 2p0p h ASP 72 Cb 0.26 -0.12 0.02 0.00 1.72 0.00 0.00 39.33 41.20 2p0p h ASP 72 CO -0.00 0.37 -1.19 -0.33 -2.88 0.00 0.00 179.24 175.21 2p0p h GLU 73 N 0.56 0.33 -0.40 0.28 4.39 -1.44 -3.37 114.58 114.93 2p0p h GLU 73 Ca 0.15 -0.57 0.00 0.00 0.34 0.00 0.00 59.36 59.28 2p0p h GLU 73 Cb -0.02 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2p0p h GLU 73 CO -0.03 1.27 0.00 0.00 -1.16 0.00 0.00 179.01 179.10 2p0p n LEU 75 N -0.24 0.00 0.00 0.00 4.77 -0.99 -4.33 117.00 116.22 2p0p n LEU 75 Ca 0.00 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 2p0p n LEU 75 Cb 0.10 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 2p0p n LEU 75 CO 0.00 -0.01 -0.15 2.29 -1.33 0.00 0.00 177.39 178.19 2p0p n LYS 76 N -1.50 2.78 -3.50 3.23 2.85 -1.24 -4.30 118.16 116.48 2p0p n LYS 76 Ca 0.07 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.22 2p0p n LYS 76 Cb 0.33 -0.65 -0.02 0.00 -0.65 0.00 0.00 35.03 34.04 2p0p n LYS 76 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2p0p s ASP 77 N -1.07 -0.50 -0.28 -5.58 2.15 -1.26 -5.08 116.67 105.05 2p0p s ASP 77 Ca 0.00 -0.10 -0.29 0.00 0.43 0.00 0.00 52.55 52.60 2p0p s ASP 77 Cb 0.00 0.60 0.01 0.00 -0.30 0.00 0.00 42.92 43.24 2p0p s ASP 77 CO 0.00 -1.00 1.04 -0.04 -0.17 0.00 0.00 175.17 175.00 2p0p s MET 78 N -3.73 4.14 0.13 4.34 -1.94 -1.26 -4.25 119.30 116.74 2p0p s MET 78 Ca 0.03 1.15 0.08 0.00 -1.71 0.00 0.00 55.69 55.24 2p0p s MET 78 Cb -0.02 -3.70 -0.04 0.00 2.01 0.00 0.00 34.83 33.09 2p0p s MET 78 CO -0.09 -0.77 -0.19 0.71 -0.01 0.00 0.00 175.02 174.67 2p0p s TYR 79 N 3.41 1.73 0.00 -0.03 2.02 -1.26 -1.01 117.35 122.21 2p0p s TYR 79 Ca 0.44 -0.46 0.03 0.00 -0.37 0.00 0.00 57.07 56.71 2p0p s TYR 79 Cb -0.13 -0.90 -0.01 0.00 -0.40 0.00 0.00 41.96 40.51 2p0p s TYR 79 CO 0.11 0.25 -0.10 0.14 -1.57 0.00 0.00 175.55 174.37 2p0p s VAL 80 N -1.68 0.82 0.29 0.71 -7.23 0.06 -0.77 120.40 112.60 2p0p s VAL 80 Ca 0.10 -0.56 -0.28 0.00 -1.81 0.00 0.00 61.98 59.44 2p0p s VAL 80 Cb -0.07 -0.71 -0.09 0.00 0.56 0.00 0.00 36.38 36.06 2p0p s VAL 80 CO 0.05 0.15 1.00 -1.61 -0.31 0.00 0.00 175.10 174.38 2p0p s GLU 81 N -0.46 4.65 -0.15 4.82 2.02 -0.38 -0.92 118.70 128.28 2p0p s GLU 81 Ca 0.03 1.55 -0.09 0.00 0.02 0.00 0.00 54.97 56.48 2p0p s GLU 81 Cb -0.05 -3.06 0.06 0.00 0.10 0.00 0.00 34.13 31.17 2p0p s GLU 81 CO -0.00 0.30 0.37 0.54 0.02 0.00 0.00 175.26 176.49 2p0p s VAL 82 N -1.32 -0.03 -0.13 2.63 0.11 -0.25 -0.70 120.40 120.71 2p0p s VAL 82 Ca 0.46 0.10 -0.12 0.00 -2.93 0.00 0.00 61.98 59.49 2p0p s VAL 82 Cb -0.26 -0.56 -0.05 0.00 -1.53 0.00 0.00 36.38 33.99 2p0p s VAL 82 CO 0.32 0.04 0.26 0.00 -3.33 0.00 0.00 175.10 172.40 2p0p s ALA 83 N 1.31 3.68 -1.27 1.54 0.00 0.45 -0.49 121.76 126.97 2p0p s ALA 83 Ca -0.09 -0.48 -0.09 0.00 0.00 0.00 0.00 51.96 51.30 2p0p s ALA 83 Cb -0.09 -2.28 0.17 0.00 0.00 0.00 0.00 23.12 20.92 2p0p s ALA 83 CO -0.11 0.27 1.85 -3.47 0.00 0.00 0.00 175.76 174.30 2p0p n ASP 84 N 2.95 5.14 0.13 0.00 2.03 -0.99 -1.19 116.55 124.62 2p0p n ASP 84 Ca -0.14 -3.12 0.08 0.00 0.52 0.00 0.00 54.79 52.13 2p0p n ASP 84 Cb 0.53 -1.47 0.45 0.00 -0.72 0.00 0.00 41.12 39.90 2p0p n ASP 84 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 2p0p n ILE 85 N 3.29 1.16 -0.01 5.18 -5.35 -1.25 -0.31 119.36 122.06 2p0p n ILE 85 Ca 0.39 0.69 -0.11 0.00 -0.27 0.00 0.00 62.75 63.46 2p0p n ILE 85 Cb 0.36 -1.69 -0.14 0.00 -1.74 0.00 0.00 39.64 36.43 2p0p n ILE 85 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 2p0p h GLY 86 N 0.00 0.05 0.00 3.28 0.00 -1.57 -3.41 103.07 101.43 2p0p h GLY 86 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.19 2p0p h GLY 86 CO 0.00 0.12 -0.96 0.61 0.00 0.00 0.00 176.54 176.31 2p0p n GLY 87 N 1.61 0.00 0.38 4.60 0.00 -0.84 -4.93 105.19 106.02 2p0p n GLY 87 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2p0p n GLY 87 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2p0p n LYS 88 N -1.48 0.00 0.00 1.61 4.76 0.21 -5.04 118.16 118.23 2p0p n LYS 88 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2p0p n LYS 88 Cb 0.04 -0.42 0.00 0.00 -1.84 0.00 0.00 35.03 32.81 2p0p n LYS 88 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2p0p n ASP 89 N -1.72 0.00 -0.76 4.39 2.03 0.58 -4.50 116.55 116.57 2p0p n ASP 89 Ca 0.00 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.39 2p0p n ASP 89 Cb 0.01 -0.12 0.15 0.00 -0.72 0.00 0.00 41.12 40.44 2p0p n ASP 89 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2p0p n ASP 90 N 0.00 2.85 -4.16 1.67 2.03 -1.26 -4.78 116.55 112.90 2p0p n ASP 90 Ca 0.00 -1.85 -0.10 0.00 0.52 0.00 0.00 54.79 53.36 2p0p n ASP 90 Cb 0.00 -0.19 -0.10 0.00 -0.72 0.00 0.00 41.12 40.11 2p0p n ASP 90 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2p0p s ASP 91 N -1.11 0.68 0.04 1.67 2.15 -1.26 -5.10 116.67 113.75 2p0p s ASP 91 Ca 0.26 -1.11 0.03 0.00 0.43 0.00 0.00 52.55 52.15 2p0p s ASP 91 Cb 0.15 0.20 -0.02 0.00 -0.30 0.00 0.00 42.92 42.94 2p0p s ASP 91 CO 0.20 -0.62 -0.08 0.54 -0.17 0.00 0.00 175.17 175.04 2p0p s VAL 92 N -3.86 0.60 0.08 1.11 0.11 -1.26 -2.36 120.40 114.81 2p0p s VAL 92 Ca 0.17 -1.05 0.01 0.00 -2.93 0.00 0.00 61.98 58.19 2p0p s VAL 92 Cb 0.07 -0.65 -0.00 0.00 -1.53 0.00 0.00 36.38 34.27 2p0p s VAL 92 CO -0.02 -0.33 0.08 -1.22 -3.33 0.00 0.00 175.10 170.27 2p0p n TYR 93 N 1.54 -0.29 -4.48 1.54 4.01 0.35 -4.99 117.16 114.84 2p0p n TYR 93 Ca -0.22 -0.62 -0.27 0.00 -0.16 0.00 0.00 57.90 56.63 2p0p n TYR 93 Cb 0.55 0.08 -0.13 0.00 -0.31 0.00 0.00 39.34 39.53 2p0p n TYR 93 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2p0p s THR 94 N -2.36 1.94 0.08 -0.72 2.01 -1.26 -1.09 115.64 114.24 2p0p s THR 94 Ca 0.09 -1.52 0.02 0.00 0.31 0.00 0.00 61.69 60.59 2p0p s THR 94 Cb 0.00 -1.72 -0.03 0.00 0.01 0.00 0.00 72.50 70.76 2p0p s THR 94 CO 0.06 0.11 -0.07 0.00 -0.69 0.00 0.00 174.62 174.03 2p0p s ALA 95 N -1.00 0.81 0.13 7.40 0.00 -0.09 -4.93 121.76 124.08 2p0p s ALA 95 Ca 0.10 -1.12 -0.30 0.00 0.00 0.00 0.00 51.96 50.63 2p0p s ALA 95 Cb -0.10 0.12 -0.07 0.00 0.00 0.00 0.00 23.12 23.06 2p0p s ALA 95 CO 0.04 -0.15 1.26 0.15 0.00 0.00 0.00 175.76 177.06 2p0p s LYS 96 N -2.95 4.42 0.40 0.00 3.01 -1.26 -0.76 119.74 122.59 2p0p s LYS 96 Ca 0.03 1.92 0.07 0.00 -1.01 0.00 0.00 55.97 56.98 2p0p s LYS 96 Cb -0.01 -3.27 0.82 0.00 -1.01 0.00 0.00 37.83 34.37 2p0p s LYS 96 CO -0.03 -0.25 2.04 1.25 0.51 0.00 0.00 175.35 178.87 2p0p h LEU 97 N 6.11 0.48 -1.39 3.17 5.85 -1.39 -1.47 115.31 126.67 2p0p h LEU 97 Ca -0.43 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.27 2p0p h LEU 97 Cb 1.21 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.12 2p0p h LEU 97 CO 0.80 0.37 0.12 0.28 -0.34 0.00 0.00 178.44 179.67 2p0p h SER 98 N 0.56 0.00 -0.04 1.25 0.02 -1.92 -2.81 113.55 110.61 2p0p h SER 98 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2p0p h SER 98 Cb -0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.52 2p0p h SER 98 CO -0.03 0.00 0.00 -0.67 -1.14 0.00 0.00 176.83 174.99 2p0p n ASP 99 N -2.28 2.29 -4.34 3.07 2.03 -0.55 -5.00 116.55 111.77 2p0p n ASP 99 Ca -0.01 -2.41 -0.22 0.00 0.52 0.00 0.00 54.79 52.67 2p0p n ASP 99 Cb 0.15 -0.19 -0.11 0.00 -0.72 0.00 0.00 41.12 40.25 2p0p n ASP 99 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2p0p s ILE 100 N -1.71 1.85 -0.16 5.18 1.01 -1.06 -1.24 121.20 125.07 2p0p s ILE 100 Ca 0.15 -1.92 0.00 0.00 0.00 0.00 0.00 60.65 58.88 2p0p s ILE 100 Cb 0.12 -1.86 0.03 0.00 0.01 0.00 0.00 42.46 40.76 2p0p s ILE 100 CO 0.03 -0.30 -0.14 -0.70 0.00 0.00 0.00 174.94 173.83 2p0p s GLU 101 N -2.77 2.29 0.22 2.79 2.12 -0.16 -4.89 118.70 118.30 2p0p s GLU 101 Ca 0.16 -0.62 -0.30 0.00 0.36 0.00 0.00 54.97 54.57 2p0p s GLU 101 Cb -0.06 -2.18 -0.08 0.00 0.26 0.00 0.00 34.13 32.07 2p0p s GLU 101 CO 0.07 -0.27 0.98 0.00 -0.54 0.00 0.00 175.26 175.50 2p0p s ALA 102 N 1.46 3.33 0.05 6.30 0.00 -1.26 -0.59 121.76 131.05 2p0p s ALA 102 Ca 0.04 0.67 0.04 0.00 0.00 0.00 0.00 51.96 52.71 2p0p s ALA 102 Cb -0.13 -3.25 -0.02 0.00 0.00 0.00 0.00 23.12 19.71 2p0p s ALA 102 CO -0.10 0.08 -0.13 0.42 0.00 0.00 0.00 175.76 176.02 2p0p s ILE 103 N -0.88 0.99 -1.60 0.00 1.01 -0.38 -4.87 121.20 115.48 2p0p s ILE 103 Ca 0.43 -1.05 -0.15 0.00 0.00 0.00 0.00 60.65 59.88 2p0p s ILE 103 Cb -0.27 -0.93 0.11 0.00 0.01 0.00 0.00 42.46 41.38 2p0p s ILE 103 CO 0.33 -0.10 0.91 -0.67 0.00 0.00 0.00 174.94 175.40 2p0p n ASP 104 N 1.73 -4.19 -4.63 3.58 2.03 -1.26 -3.83 116.55 109.98 2p0p n ASP 104 Ca -0.19 -0.87 -0.26 0.00 0.52 0.00 0.00 54.79 53.99 2p0p n ASP 104 Cb 0.55 -3.46 -0.10 0.00 -0.72 0.00 0.00 41.12 37.39 2p0p n ASP 104 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2p0p s VAL 105 N -3.30 2.22 0.62 5.18 0.11 -1.26 -4.79 120.40 119.17 2p0p s VAL 105 Ca 0.68 -1.97 -0.17 0.00 -2.93 0.00 0.00 61.98 57.59 2p0p s VAL 105 Cb -0.35 -2.90 -0.02 0.00 -1.53 0.00 0.00 36.38 31.58 2p0p s VAL 105 CO 0.87 -0.07 1.18 -0.62 -3.33 0.00 0.00 175.10 173.12 2p0p s ASP 106 N -3.73 5.06 0.25 3.54 2.15 -1.26 -4.80 116.67 117.89 2p0p s ASP 106 Ca 0.36 2.28 -0.03 0.00 0.43 0.00 0.00 52.55 55.59 2p0p s ASP 106 Cb 0.06 -2.59 0.44 0.00 -0.30 0.00 0.00 42.92 40.53 2p0p s ASP 106 CO 0.19 -1.67 1.81 -0.78 -0.17 0.00 0.00 175.17 174.55 2p0p h ASP 107 N 0.55 0.73 0.74 -0.34 3.58 -2.00 -0.22 116.42 119.46 2p0p h ASP 107 Ca -0.49 0.05 -0.13 0.00 0.42 0.00 0.00 57.03 56.88 2p0p h ASP 107 Cb 1.28 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 42.22 2p0p h ASP 107 CO 0.54 0.40 -0.62 -0.78 -2.88 0.00 0.00 179.24 175.90 2p0p h ASP 108 N 0.83 0.00 0.04 2.28 3.58 -1.93 0.54 116.42 121.77 2p0p h ASP 108 Ca 0.43 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.87 2p0p h ASP 108 Cb 0.41 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.46 2p0p h ASP 108 CO -0.26 0.62 -0.02 0.74 -2.88 0.00 0.00 179.24 177.44 2p0p h THR 109 N 0.00 1.27 -0.47 2.25 2.02 -1.56 -2.07 112.91 114.35 2p0p h THR 109 Ca -0.01 -1.06 0.03 0.00 0.77 0.00 0.00 66.41 66.14 2p0p h THR 109 Cb 1.16 1.97 -0.04 0.00 -1.74 0.00 0.00 68.15 69.50 2p0p h THR 109 CO 0.08 0.27 0.25 -0.61 0.37 0.00 0.00 175.52 175.88 2p0p h GLN 110 N -0.53 0.49 -0.52 6.66 -0.00 -0.85 -2.12 115.11 118.24 2p0p h GLN 110 Ca -0.01 -0.03 -0.06 0.00 -0.00 0.00 0.00 58.65 58.56 2p0p h GLN 110 Cb 0.48 -0.11 -0.02 0.00 0.00 0.00 0.00 27.48 27.83 2p0p h GLN 110 CO 0.01 0.32 0.09 0.93 0.00 0.00 0.00 178.83 180.19 2p0p h GLU 111 N 0.50 0.82 -0.56 1.69 4.39 -0.94 0.68 114.58 121.16 2p0p h GLU 111 Ca 0.20 -0.18 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 2p0p h GLU 111 Cb 0.08 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 2p0p h GLU 111 CO -0.12 0.76 0.19 0.00 -1.16 0.00 0.00 179.01 178.68 2p0p h ALA 112 N 1.32 0.74 -0.22 3.43 0.00 -0.78 0.55 119.26 124.30 2p0p h ALA 112 Ca 0.17 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 2p0p h ALA 112 Cb 0.34 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2p0p h ALA 112 CO 0.00 0.38 -0.23 0.82 0.00 0.00 0.00 179.25 180.23 2p0p h ILE 113 N 0.78 1.32 -0.96 0.00 2.04 -1.04 -2.20 117.51 117.46 2p0p h ILE 113 Ca 0.18 -1.40 0.03 0.00 1.00 0.00 0.00 64.86 64.67 2p0p h ILE 113 Cb 0.25 1.74 -0.05 0.00 -0.74 0.00 0.00 36.82 38.02 2p0p h ILE 113 CO -0.01 0.43 0.63 0.00 0.00 0.00 0.00 178.15 179.20 2p0p h ALA 114 N 0.65 1.26 -0.45 1.87 0.00 -0.75 -1.70 119.26 120.14 2p0p h ALA 114 Ca 0.03 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 2p0p h ALA 114 Cb 0.78 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2p0p h ALA 114 CO 0.06 0.54 -0.12 0.22 0.00 0.00 0.00 179.25 179.95 2p0p h ASP 115 N 1.24 0.82 -0.33 0.00 3.58 -0.72 0.11 116.42 121.12 2p0p h ASP 115 Ca 0.37 -0.25 -0.00 0.00 0.42 0.00 0.00 57.03 57.57 2p0p h ASP 115 Cb -0.05 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 40.76 2p0p h ASP 115 CO -0.11 0.95 0.19 -0.25 -2.88 0.00 0.00 179.24 177.15 2p0p h TRP 116 N 0.74 0.44 -0.59 0.28 2.91 -1.04 -0.43 115.95 118.26 2p0p h TRP 116 Ca 0.12 -0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.12 2p0p h TRP 116 Cb 0.62 -0.14 -0.03 0.00 -0.51 0.00 0.00 29.16 29.10 2p0p h TRP 116 CO 0.03 0.33 0.29 -0.07 -1.03 0.00 0.00 178.44 177.99 2p0p h LEU 117 N 0.42 0.78 -0.23 0.65 3.38 -0.78 -0.78 115.31 118.74 2p0p h LEU 117 Ca 0.12 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2p0p h LEU 117 Cb 0.03 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2p0p h LEU 117 CO -0.02 0.69 0.11 1.88 0.09 0.00 0.00 178.44 181.19 2p0p h TYR 118 N 0.81 0.34 -0.56 1.13 0.05 -0.69 -1.68 116.97 116.37 2p0p h TYR 118 Ca 0.20 -0.02 0.07 0.00 0.05 0.00 0.00 58.73 59.04 2p0p h TYR 118 Cb 0.12 -0.10 -0.06 0.00 1.01 0.00 0.00 36.73 37.69 2p0p h TYR 118 CO -0.00 0.33 0.23 2.35 -1.05 0.00 0.00 178.16 180.01 2p0p h TRP 119 N 0.25 0.40 -0.45 4.88 2.91 -0.77 0.16 115.95 123.33 2p0p h TRP 119 Ca 0.08 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 60.10 2p0p h TRP 119 Cb 0.11 -0.10 -0.02 0.00 -0.51 0.00 0.00 29.16 28.65 2p0p h TRP 119 CO -0.02 0.14 0.17 1.25 -1.03 0.00 0.00 178.44 178.95 2p0p h LEU 120 N 0.42 0.63 -0.76 0.65 5.85 -0.86 -1.89 115.31 119.37 2p0p h LEU 120 Ca 0.27 -0.17 -0.10 0.00 0.84 0.00 0.00 57.88 58.71 2p0p h LEU 120 Cb 0.28 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2p0p h LEU 120 CO -0.25 0.63 -0.16 0.00 -0.34 0.00 0.00 178.44 178.32 2p0p h ALA 121 N 1.02 0.94 0.00 1.25 0.00 -0.89 -2.76 119.26 118.82 2p0p h ALA 121 Ca 0.15 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2p0p h ALA 121 Cb 0.20 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2p0p h ALA 121 CO -0.01 0.61 -0.12 -0.09 0.00 0.00 0.00 179.25 179.64 2p0p h ARG 122 N 0.69 0.00 0.00 0.00 9.65 -0.31 -3.47 114.38 120.94 2p0p h ARG 122 Ca 0.11 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.99 2p0p h ARG 122 Cb 0.66 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.24 2p0p h ARG 122 CO 0.05 0.12 0.00 0.41 2.80 0.00 0.00 179.97 183.35 2p0p n GLY 123 N -1.16 3.90 3.09 2.80 0.00 -0.74 -4.87 105.19 108.20 2p0p n GLY 123 Ca -0.03 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 2p0p n GLY 123 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2p0p n TYR 124 N -0.09 3.17 0.01 1.61 9.36 -1.23 -4.63 117.16 125.36 2p0p n TYR 124 Ca 0.00 -2.44 0.05 0.00 3.32 0.00 0.00 57.90 58.82 2p0p n TYR 124 Cb 0.00 -2.33 0.23 0.00 -0.63 0.00 0.00 39.34 36.61 2p0p n TYR 124 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2p0p n LYS 125 N 7.02 3.08 0.00 2.98 4.76 -1.26 -5.17 118.16 129.57 2p0p n LYS 125 Ca 0.50 -1.80 0.00 0.00 -2.87 0.00 0.00 58.31 54.14 2p0p n LYS 125 Cb 0.42 -1.85 0.00 0.00 -1.84 0.00 0.00 35.03 31.76 2p0p n LYS 125 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37