#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 1.00 -0.68 -5.12 0.00 -1.99 -3.47 119.26 108.99 2p0p h ALA 2 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.67 2p0p h ALA 2 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 2p0p h ALA 2 CO 0.00 0.00 -0.23 0.43 0.00 0.00 0.00 179.25 179.45 2p0p n SER 3 N -2.86 -4.33 0.00 0.00 7.64 -1.26 -4.82 113.62 107.99 2p0p n SER 3 Ca 0.02 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.16 2p0p n SER 3 Cb 0.36 -2.94 0.00 0.00 -1.01 0.00 0.00 64.21 60.62 2p0p n SER 3 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2p0p n VAL 4 N -2.82 0.00 -1.29 0.44 0.24 -1.26 -5.11 118.33 108.53 2p0p n VAL 4 Ca -0.12 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.08 2p0p n VAL 4 Cb 0.41 1.48 0.07 0.00 -1.47 0.00 0.00 33.84 34.33 2p0p n VAL 4 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 2p0p n GLU 5 N 0.00 -0.54 -4.02 7.34 0.00 -1.26 -4.56 120.64 117.61 2p0p n GLU 5 Ca 0.00 -0.72 -0.32 0.00 0.00 0.00 0.00 57.16 56.12 2p0p n GLU 5 Cb 0.16 -0.49 0.01 0.00 0.00 0.00 0.00 31.44 31.12 2p0p n GLU 5 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 2p0p n ARG 6 N -2.03 -4.81 -3.39 3.44 0.63 -1.26 -4.95 116.66 104.28 2p0p n ARG 6 Ca 0.06 0.53 -0.17 0.00 -0.92 0.00 0.00 57.85 57.35 2p0p n ARG 6 Cb 0.20 -5.38 -0.09 0.00 0.45 0.00 0.00 32.46 27.65 2p0p n ARG 6 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2p0p s ASP 7 N -3.29 1.57 0.58 6.15 2.15 -1.26 -5.03 116.67 117.52 2p0p s ASP 7 Ca 0.70 -0.77 0.38 0.00 0.43 0.00 0.00 52.55 53.28 2p0p s ASP 7 Cb -0.36 0.55 1.92 0.00 -0.30 0.00 0.00 42.92 44.73 2p0p s ASP 7 CO 0.86 -0.38 2.15 1.05 -0.17 0.00 0.00 175.17 178.68 2p0p h GLU 8 N 8.20 0.00 -0.92 4.34 4.11 -1.96 -3.11 114.58 125.23 2p0p h GLU 8 Ca -0.12 0.00 0.10 0.00 0.07 0.00 0.00 59.36 59.41 2p0p h GLU 8 Cb 1.08 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.26 2p0p h GLU 8 CO 0.32 0.00 0.59 1.15 0.07 0.00 0.00 179.01 181.15 2p0p h THR 9 N 0.00 0.96 -0.36 -1.06 2.02 -1.99 -0.68 112.91 111.80 2p0p h THR 9 Ca 0.00 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 2p0p h THR 9 Cb 0.17 -0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.52 2p0p h THR 9 CO 0.00 0.17 0.20 0.03 0.37 0.00 0.00 175.52 176.29 2p0p h ARG 10 N 0.92 0.51 -0.33 6.66 2.47 -1.94 0.06 114.38 122.71 2p0p h ARG 10 Ca 0.44 -0.06 -0.12 0.00 -1.26 0.00 0.00 59.98 58.97 2p0p h ARG 10 Cb 0.43 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.64 2p0p h ARG 10 CO -0.20 0.42 -0.28 0.93 0.56 0.00 0.00 179.97 181.40 2p0p h GLU 11 N 0.46 0.70 0.05 0.04 5.08 -1.50 -1.21 114.58 118.20 2p0p h GLU 11 Ca 0.13 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2p0p h GLU 11 Cb 0.06 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2p0p h GLU 11 CO -0.02 0.90 -0.03 0.45 -1.00 0.00 0.00 179.01 179.32 2p0p h HIS 12 N 0.60 -0.07 -0.29 4.33 3.86 -0.84 -2.70 115.15 120.04 2p0p h HIS 12 Ca 0.07 -0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.16 2p0p h HIS 12 Cb 0.79 0.02 -0.00 0.00 1.06 0.00 0.00 27.41 29.28 2p0p h HIS 12 CO 0.04 0.22 -0.28 0.00 0.86 0.00 0.00 177.93 178.77 2p0p h ARG 13 N -0.35 0.70 -0.16 2.45 2.47 -0.92 -1.50 114.38 117.06 2p0p h ARG 13 Ca -0.01 -0.37 0.02 0.00 -1.26 0.00 0.00 59.98 58.37 2p0p h ARG 13 Cb 0.32 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.63 2p0p h ARG 13 CO 0.01 0.98 0.02 0.97 0.56 0.00 0.00 179.97 182.52 2p0p h ILE 14 N 0.45 0.92 -0.75 2.04 2.10 -1.30 -1.57 117.51 119.39 2p0p h ILE 14 Ca 0.05 -0.03 -0.01 0.00 1.08 0.00 0.00 64.86 65.95 2p0p h ILE 14 Cb 0.85 0.83 -0.04 0.00 -1.09 0.00 0.00 36.82 37.37 2p0p h ILE 14 CO 0.07 0.02 0.43 -0.08 -1.08 0.00 0.00 178.15 177.51 2p0p h GLU 15 N 0.08 1.04 -0.00 2.19 4.57 -1.36 -0.23 114.58 120.87 2p0p h GLU 15 Ca 0.07 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2p0p h GLU 15 Cb 0.07 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.45 2p0p h GLU 15 CO -0.10 0.75 -0.45 0.25 -1.18 0.00 0.00 179.01 178.28 2p0p n THR 16 N -4.48 0.00 0.00 0.32 -2.24 -0.58 -2.55 114.28 104.76 2p0p n THR 16 Ca 0.07 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 2p0p n THR 16 Cb 0.07 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 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 -1.38 0.00 -0.05 -0.78 1.02 -0.61 -4.69 120.64 114.15 2p0p n GLU 17 Ca 0.07 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.07 2p0p n GLU 17 Cb 0.34 -0.61 -0.14 0.00 -0.02 0.00 0.00 31.44 31.00 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 -1.98 1.59 -0.80 -3.67 5.41 -0.14 -4.55 119.36 115.22 2p0p n ILE 18 Ca 0.00 -0.75 0.01 0.00 1.00 0.00 0.00 62.75 63.01 2p0p n ILE 18 Cb 0.18 -1.13 0.01 0.00 -0.71 0.00 0.00 39.64 38.00 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 -3.11 0.51 -0.08 1.39 -5.35 -0.98 -3.87 119.36 107.87 2p0p n ILE 19 Ca -0.28 -0.54 0.07 0.00 -0.27 0.00 0.00 62.75 61.74 2p0p n ILE 19 Cb 1.07 0.66 0.43 0.00 -1.74 0.00 0.00 39.64 40.06 2p0p n ILE 19 CO 0.00 0.00 0.00 1.62 -1.76 0.00 0.00 176.55 176.41 2p0p h VAL 20 N 2.22 1.01 -0.02 7.28 3.04 -1.70 -1.43 116.25 126.64 2p0p h VAL 20 Ca 0.00 -0.19 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 2p0p h VAL 20 Cb 0.88 0.40 0.00 0.00 -2.01 0.00 0.00 31.29 30.56 2p0p h VAL 20 CO 0.00 0.10 0.00 -0.67 -1.01 0.00 0.00 177.57 175.99 2p0p n ASP 21 N -4.47 0.38 -4.16 3.17 2.03 -1.26 -4.88 116.55 107.36 2p0p n ASP 21 Ca 0.08 -1.31 -0.16 0.00 0.52 0.00 0.00 54.79 53.92 2p0p n ASP 21 Cb 0.22 -0.01 -0.11 0.00 -0.72 0.00 0.00 41.12 40.49 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 -1.97 1.06 0.00 -1.67 0.00 -0.54 -5.07 121.76 113.57 2p0p s ALA 22 Ca 0.37 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 51.27 2p0p s ALA 22 Cb 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.28 2p0p s ALA 22 CO 0.29 0.04 0.06 0.39 0.00 0.00 0.00 175.76 176.54 2p0p n GLU 23 N 0.95 0.16 -4.09 0.00 1.02 -1.26 -4.88 120.64 112.54 2p0p n GLU 23 Ca -0.19 -0.06 -0.14 0.00 -0.02 0.00 0.00 57.16 56.75 2p0p n GLU 23 Cb 0.56 -0.46 -0.12 0.00 -0.02 0.00 0.00 31.44 31.41 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 -0.04 0.91 0.36 1.62 2.15 -1.26 -5.03 116.67 115.38 2p0p s ASP 24 Ca 0.00 -0.50 0.14 0.00 0.43 0.00 0.00 52.55 52.62 2p0p s ASP 24 Cb 0.00 0.01 0.98 0.00 -0.30 0.00 0.00 42.92 43.61 2p0p s ASP 24 CO 0.00 -0.15 1.75 0.07 -0.17 0.00 0.00 175.17 176.67 2p0p h LYS 25 N 4.68 0.49 -0.29 4.34 2.10 -1.96 0.17 116.57 126.10 2p0p h LYS 25 Ca -0.35 -0.03 -0.10 0.00 -2.00 0.00 0.00 60.65 58.17 2p0p h LYS 25 Cb 1.20 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 32.41 2p0p h LYS 25 CO 0.42 0.32 -0.21 0.93 -2.00 0.00 0.00 179.45 178.91 2p0p h GLU 26 N 0.50 0.65 -0.21 0.07 5.08 -1.98 -0.85 114.58 117.84 2p0p h GLU 26 Ca 0.62 -0.31 -0.13 0.00 -1.00 0.00 0.00 59.36 58.53 2p0p h GLU 26 Cb 1.34 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.58 2p0p h GLU 26 CO -0.38 0.91 -0.42 0.93 -1.00 0.00 0.00 179.01 179.05 2p0p h GLU 27 N 0.39 0.50 -0.02 2.33 4.39 -1.45 -2.20 114.58 118.51 2p0p h GLU 27 Ca 0.06 -0.26 -0.14 0.00 0.34 0.00 0.00 59.36 59.36 2p0p h GLU 27 Cb 0.75 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.39 2p0p h GLU 27 CO 0.06 0.83 -0.62 0.00 -1.16 0.00 0.00 179.01 178.12 2p0p h ARG 28 N 0.41 0.08 -0.47 2.33 3.08 -0.63 0.36 114.38 119.53 2p0p h ARG 28 Ca 0.03 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 59.95 2p0p h ARG 28 Cb 0.91 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.95 2p0p h ARG 28 CO 0.08 0.67 -0.03 0.00 -1.07 0.00 0.00 179.97 179.62 2p0p h ALA 29 N 1.31 1.05 -0.39 0.04 0.00 -0.95 -2.05 119.26 118.27 2p0p h ALA 29 Ca -0.01 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 2p0p h ALA 29 Cb 1.11 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2p0p h ALA 29 CO 0.09 0.59 -0.16 0.52 0.00 0.00 0.00 179.25 180.28 2p0p h MET 30 N 0.75 0.72 -0.02 0.00 2.86 -0.76 -0.20 114.93 118.27 2p0p h MET 30 Ca 0.14 -0.25 0.03 0.00 -2.06 0.00 0.00 59.70 57.56 2p0p h MET 30 Cb 0.50 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.07 2p0p h MET 30 CO 0.03 0.84 -0.22 0.78 1.06 0.00 0.00 176.91 179.40 2p0p h GLY 31 N 0.98 -0.30 0.17 8.32 0.00 -0.58 0.13 103.07 111.79 2p0p h GLY 31 Ca 0.10 0.26 0.05 0.00 0.00 0.00 0.00 47.33 47.74 2p0p h GLY 31 CO 0.04 -0.19 -0.29 1.49 0.00 0.00 0.00 176.54 177.59 2p0p h TRP 32 N -0.33 -0.81 -0.38 5.60 4.06 -1.27 -2.87 115.95 119.94 2p0p h TRP 32 Ca 0.07 0.04 0.06 0.00 2.06 0.00 0.00 58.89 61.12 2p0p h TRP 32 Cb 0.42 0.38 -0.06 0.00 -1.00 0.00 0.00 29.16 28.91 2p0p h TRP 32 CO -0.27 -0.37 0.05 -0.92 -3.56 0.00 0.00 178.44 173.36 2p0p h TYR 33 N -0.35 0.07 0.30 0.49 5.03 -0.36 -1.03 116.97 121.11 2p0p h TYR 33 Ca 0.11 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.43 2p0p h TYR 33 Cb 0.52 0.03 0.00 0.00 1.55 0.00 0.00 36.73 38.83 2p0p h TYR 33 CO -0.40 -0.02 -0.14 1.88 -1.32 0.00 0.00 178.16 178.16 2p0p h TYR 34 N 0.16 -0.37 -0.14 -3.82 0.05 -0.56 0.74 116.97 113.04 2p0p h TYR 34 Ca 0.18 -0.01 -0.16 0.00 0.05 0.00 0.00 58.73 58.80 2p0p h TYR 34 Cb 0.24 0.12 -0.01 0.00 1.01 0.00 0.00 36.73 38.09 2p0p h TYR 34 CO -0.22 -0.15 -0.59 0.10 -1.05 0.00 0.00 178.16 176.25 2p0p h TYR 35 N -0.51 0.56 0.12 4.88 -0.00 -1.44 -2.17 116.97 118.41 2p0p h TYR 35 Ca -0.04 -0.21 -0.01 0.00 -0.00 0.00 0.00 58.73 58.47 2p0p h TYR 35 Cb 0.38 -0.10 0.00 0.00 -0.00 0.00 0.00 36.73 37.01 2p0p h TYR 35 CO -0.03 0.92 -0.06 1.25 -0.00 0.00 0.00 178.16 180.25 2p0p h LEU 36 N 0.33 -0.14 -1.10 0.10 5.85 -1.04 -1.18 115.31 118.13 2p0p h LEU 36 Ca -0.00 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.55 2p0p h LEU 36 Cb 1.12 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 42.14 2p0p h LEU 36 CO 0.10 0.09 0.60 -0.78 -0.34 0.00 0.00 178.44 178.12 2p0p h ASP 37 N -0.38 1.05 0.43 1.25 3.58 -0.85 0.88 116.42 122.39 2p0p h ASP 37 Ca -0.02 -0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.36 2p0p h ASP 37 Cb 0.31 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 2p0p h ASP 37 CO 0.03 0.76 -0.21 -0.78 -2.88 0.00 0.00 179.24 176.16 2p0p h ASP 38 N 1.24 0.00 0.14 2.28 3.58 -1.25 -3.23 116.42 119.18 2p0p h ASP 38 Ca 0.33 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 57.43 2p0p h ASP 38 Cb -0.14 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 40.90 2p0p h ASP 38 CO -0.07 0.21 -1.90 0.74 -2.88 0.00 0.00 179.24 175.34 2p0p h THR 39 N 0.00 0.73 -2.76 2.25 2.02 0.16 -3.47 112.91 111.84 2p0p h THR 39 Ca -0.00 -2.39 -0.52 0.00 0.77 0.00 0.00 66.41 64.27 2p0p h THR 39 Cb 0.48 2.58 0.06 0.00 -1.74 0.00 0.00 68.15 69.54 2p0p h THR 39 CO 0.03 0.87 0.99 -0.76 0.37 0.00 0.00 175.52 177.02 2p0p s LEU 40 N -7.15 4.37 0.00 2.58 1.43 0.15 -4.58 118.68 115.46 2p0p s LEU 40 Ca -0.21 2.87 0.00 0.00 -1.03 0.00 0.00 54.13 55.77 2p0p s LEU 40 Cb 0.06 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.68 2p0p s LEU 40 CO 0.79 -0.96 0.48 -1.84 0.23 0.00 0.00 176.35 175.05 2p0p n GLU 41 N 3.75 0.94 -1.43 1.70 0.28 -1.26 -4.96 120.64 119.66 2p0p n GLU 41 Ca 0.15 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.74 2p0p n GLU 41 Cb 0.36 -1.46 0.01 0.00 1.43 0.00 0.00 31.44 31.77 2p0p n GLU 41 CO 0.00 0.00 0.00 1.97 -0.16 0.00 0.00 177.13 178.94 2p0p n PHE 42 N 0.04 -0.81 -1.60 -1.84 1.16 -1.26 -4.55 117.46 108.59 2p0p n PHE 42 Ca 0.00 0.58 -0.36 0.00 -1.87 0.00 0.00 57.45 55.80 2p0p n PHE 42 Cb 0.24 -1.95 0.08 0.00 -1.61 0.00 0.00 39.48 36.24 2p0p n PHE 42 CO 0.00 0.00 0.00 -2.14 -1.87 0.00 0.00 176.76 172.75 2p0p s PRO 43 N -1.55 2.36 0.05 3.97 0.02 -1.25 -4.99 135.00 133.60 2p0p s PRO 43 Ca 0.63 1.92 0.01 0.00 0.02 0.00 0.00 61.00 63.58 2p0p s PRO 43 Cb -0.58 -1.84 -0.00 0.00 0.02 0.00 0.00 34.50 32.10 2p0p s PRO 43 CO 0.58 -1.71 0.05 1.97 -0.33 0.00 0.00 177.00 177.57 2p0p n PHE 44 N -2.28 -0.23 -4.35 6.54 -1.74 -0.40 -5.00 117.46 110.00 2p0p n PHE 44 Ca 0.15 -0.44 -0.18 0.00 -0.56 0.00 0.00 57.45 56.42 2p0p n PHE 44 Cb 0.49 0.06 -0.10 0.00 1.52 0.00 0.00 39.48 41.44 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 -2.20 1.41 0.15 3.97 0.23 -1.26 -0.22 119.30 121.38 2p0p s MET 45 Ca 0.06 -1.74 -0.15 0.00 -1.03 0.00 0.00 55.69 52.83 2p0p s MET 45 Cb 0.00 -0.59 0.06 0.00 -1.53 0.00 0.00 34.83 32.77 2p0p s MET 45 CO 0.04 -0.16 0.75 0.41 -2.03 0.00 0.00 175.02 174.04 2p0p n GLY 46 N -0.48 0.81 3.23 3.16 0.00 -0.18 -1.10 105.19 110.65 2p0p n GLY 46 Ca -0.03 -1.10 -0.34 0.00 0.00 0.00 0.00 46.02 44.55 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 3.22 -0.49 1.61 2.47 0.26 -0.97 119.74 123.79 2p0p s LYS 47 Ca 0.17 -0.71 -0.29 0.00 -1.56 0.00 0.00 55.97 53.58 2p0p s LYS 47 Cb -0.02 -2.81 0.02 0.00 -1.46 0.00 0.00 37.83 33.55 2p0p s LYS 47 CO 0.04 -0.19 1.30 -0.46 0.16 0.00 0.00 175.35 176.21 2p0p s TRP 48 N 1.36 2.52 -0.57 4.03 -0.11 0.40 -1.11 118.94 125.46 2p0p s TRP 48 Ca 0.05 0.60 -0.07 0.00 1.22 0.00 0.00 56.10 57.89 2p0p s TRP 48 Cb -0.14 -4.40 -0.20 0.00 -1.50 0.00 0.00 33.47 27.23 2p0p s TRP 48 CO -0.07 -1.72 3.34 1.63 -4.62 0.00 0.00 176.95 175.51 2p0p n LYS 49 N 8.21 2.55 -1.62 5.86 4.76 -0.52 -1.43 118.16 135.98 2p0p n LYS 49 Ca 0.13 -1.40 -0.46 0.00 -2.87 0.00 0.00 58.31 53.71 2p0p n LYS 49 Cb 0.49 -2.27 -0.04 0.00 -1.84 0.00 0.00 35.03 31.36 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 2.90 2.11 -1.96 1.97 4.81 -0.17 -4.71 118.16 123.11 2p0p n LYS 50 Ca 0.55 0.71 -0.42 0.00 -0.87 0.00 0.00 58.31 58.28 2p0p n LYS 50 Cb 0.66 -2.84 -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 0.15 1.17 0.00 0.00 177.40 178.72 2p0p s LYS 51 N 5.06 4.23 0.71 1.64 1.02 -1.26 -0.67 119.74 130.46 2p0p s LYS 51 Ca 0.97 2.33 -0.16 0.00 0.02 0.00 0.00 55.97 59.13 2p0p s LYS 51 Cb -0.57 -3.16 0.03 0.00 -0.52 0.00 0.00 37.83 33.60 2p0p s LYS 51 CO 0.45 -0.59 1.26 0.43 -0.92 0.00 0.00 175.35 175.99 2p0p n SER 52 N 3.97 1.69 -4.54 2.83 7.64 0.02 -4.79 113.62 120.43 2p0p n SER 52 Ca 0.14 0.74 -0.53 0.00 1.01 0.00 0.00 58.87 60.22 2p0p n SER 52 Cb 0.39 -1.54 -0.07 0.00 -1.01 0.00 0.00 64.21 61.98 2p0p n SER 52 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2p0p n ARG 53 N -2.44 1.18 -4.39 1.43 3.00 -1.26 -2.12 116.66 112.06 2p0p n ARG 53 Ca 0.15 0.38 -0.40 0.00 -0.01 0.00 0.00 57.85 57.97 2p0p n ARG 53 Cb 0.49 -2.33 -0.05 0.00 0.00 0.00 0.00 32.46 30.56 2p0p n ARG 53 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2p0p n LYS 54 N 7.16 -1.89 -3.91 5.56 5.02 -1.26 -4.93 118.16 123.91 2p0p n LYS 54 Ca 0.35 0.25 -0.09 0.00 -2.02 0.00 0.00 58.31 56.80 2p0p n LYS 54 Cb 0.19 -4.88 -0.07 0.00 -0.02 0.00 0.00 35.03 30.25 2p0p n LYS 54 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2p0p s THR 55 N -3.29 0.09 0.10 -0.18 -1.32 -0.90 -5.07 115.64 105.08 2p0p s THR 55 Ca 0.78 -1.28 0.27 0.00 -1.21 0.00 0.00 61.69 60.25 2p0p s THR 55 Cb -0.44 -1.64 0.29 0.00 -1.51 0.00 0.00 72.50 69.19 2p0p s THR 55 CO 0.98 -0.42 1.87 0.28 -2.21 0.00 0.00 174.62 175.12 2p0p h SER 56 N 2.60 0.00 -4.16 8.08 0.02 -1.92 -3.37 113.55 114.81 2p0p h SER 56 Ca -0.33 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.08 2p0p h SER 56 Cb 1.22 0.00 0.17 0.00 0.14 0.00 0.00 62.40 63.93 2p0p h SER 56 CO 0.51 0.15 0.43 -0.89 -1.14 0.00 0.00 176.83 175.88 2p0p s THR 57 N -3.64 2.01 0.07 -2.27 2.01 -1.26 -4.86 115.64 107.70 2p0p s THR 57 Ca 0.01 0.01 0.08 0.00 0.31 0.00 0.00 61.69 62.10 2p0p s THR 57 Cb 0.10 -2.70 -0.03 0.00 0.01 0.00 0.00 72.50 69.88 2p0p s THR 57 CO 0.61 -0.00 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.69 2p0p s ILE 58 N -1.77 1.76 -0.02 1.82 1.01 -1.26 -0.80 121.20 121.94 2p0p s ILE 58 Ca 0.78 -1.37 0.06 0.00 0.00 0.00 0.00 60.65 60.12 2p0p s ILE 58 Cb -0.33 -1.56 -0.02 0.00 0.01 0.00 0.00 42.46 40.56 2p0p s ILE 58 CO 0.45 0.12 -0.20 -1.61 0.00 0.00 0.00 174.94 173.71 2p0p s GLU 59 N -1.48 2.26 -0.35 2.79 2.02 0.15 -4.87 118.70 119.21 2p0p s GLU 59 Ca 0.08 -0.85 0.02 0.00 0.02 0.00 0.00 54.97 54.24 2p0p s GLU 59 Cb -0.09 -2.21 0.10 0.00 0.10 0.00 0.00 34.13 32.03 2p0p s GLU 59 CO 0.03 0.58 0.08 -1.21 0.02 0.00 0.00 175.26 174.76 2p0p s GLU 60 N -0.83 1.67 -0.26 1.61 2.02 -1.26 -1.00 118.70 120.66 2p0p s GLU 60 Ca 0.11 -1.83 -0.08 0.00 0.02 0.00 0.00 54.97 53.20 2p0p s GLU 60 Cb -0.10 -3.29 -0.03 0.00 0.10 0.00 0.00 34.13 30.80 2p0p s GLU 60 CO 0.01 -0.95 0.09 0.21 0.02 0.00 0.00 175.26 174.63 2p0p s LYS 61 N 0.98 3.66 0.15 1.61 2.20 -0.51 -4.94 119.74 122.89 2p0p s LYS 61 Ca 0.09 -0.48 -0.31 0.00 -0.36 0.00 0.00 55.97 54.92 2p0p s LYS 61 Cb -0.20 -3.37 -0.08 0.00 -1.51 0.00 0.00 37.83 32.67 2p0p s LYS 61 CO -0.07 -0.20 1.31 0.99 -0.36 0.00 0.00 175.35 177.02 2p0p s THR 62 N 1.63 3.40 0.03 3.43 2.01 -1.26 -0.45 115.64 124.42 2p0p s THR 62 Ca 0.06 1.07 -0.02 0.00 0.31 0.00 0.00 61.69 63.12 2p0p s THR 62 Cb -0.15 -3.68 -0.02 0.00 0.01 0.00 0.00 72.50 68.65 2p0p s THR 62 CO 0.04 0.12 -0.00 0.68 -0.69 0.00 0.00 174.62 174.77 2p0p s VAL 63 N 0.61 0.15 -0.21 3.82 -7.23 -0.14 -2.25 120.40 115.14 2p0p s VAL 63 Ca 0.60 -1.21 -0.08 0.00 -1.81 0.00 0.00 61.98 59.48 2p0p s VAL 63 Cb -0.35 -0.76 -0.04 0.00 0.56 0.00 0.00 36.38 35.79 2p0p s VAL 63 CO 0.34 -0.67 0.07 -0.70 -0.31 0.00 0.00 175.10 173.83 2p0p s GLU 64 N -2.41 3.85 -0.45 4.82 2.12 -0.57 -1.01 118.70 125.05 2p0p s GLU 64 Ca -0.07 -0.40 -0.18 0.00 0.36 0.00 0.00 54.97 54.68 2p0p s GLU 64 Cb -0.03 -3.28 0.03 0.00 0.26 0.00 0.00 34.13 31.11 2p0p s GLU 64 CO -0.04 0.07 0.51 0.08 -0.54 0.00 0.00 175.26 175.34 2p0p s VAL 65 N 0.94 5.00 0.17 3.70 1.01 0.69 -0.53 120.40 131.38 2p0p s VAL 65 Ca 0.04 -0.33 0.11 0.00 0.00 0.00 0.00 61.98 61.80 2p0p s VAL 65 Cb -0.14 -4.13 -0.06 0.00 0.00 0.00 0.00 36.38 32.05 2p0p s VAL 65 CO 0.03 -0.55 1.50 -0.07 0.00 0.00 0.00 175.10 176.01 2p0p h LEU 66 N 9.30 0.00 0.00 3.92 4.07 -1.23 -1.07 115.31 130.30 2p0p h LEU 66 Ca -0.27 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.69 2p0p h LEU 66 Cb 1.10 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.84 2p0p h LEU 66 CO 0.85 0.71 0.00 0.61 -1.08 0.00 0.00 178.44 179.53 2p0p n GLY 67 N 0.72 -2.28 3.75 0.83 0.00 -1.24 -3.86 105.19 103.10 2p0p n GLY 67 Ca -0.00 -1.40 -0.36 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.89 2.90 1.12 1.61 -1.94 -1.26 -0.64 119.30 119.20 2p0p s MET 68 Ca 0.00 1.90 -0.17 0.00 -1.71 0.00 0.00 55.69 55.71 2p0p s MET 68 Cb 0.00 -1.94 0.25 0.00 2.01 0.00 0.00 34.83 35.15 2p0p s MET 68 CO 0.00 -1.28 1.13 0.00 -0.01 0.00 0.00 175.02 174.86 2p0p s ALA 69 N -1.53 0.93 0.37 3.03 0.00 -0.47 -4.38 121.76 119.71 2p0p s ALA 69 Ca 0.78 -0.84 -0.25 0.00 0.00 0.00 0.00 51.96 51.66 2p0p s ALA 69 Cb -0.32 -2.93 -0.12 0.00 0.00 0.00 0.00 23.12 19.74 2p0p s ALA 69 CO 0.35 -3.23 0.84 -2.30 0.00 0.00 0.00 175.76 171.42 2p0p n PRO 70 N -4.47 1.03 -0.33 0.00 -0.02 -1.26 -4.80 135.00 125.15 2p0p n PRO 70 Ca 0.11 0.37 0.10 0.00 -2.02 0.00 0.00 63.50 62.06 2p0p n PRO 70 Cb 0.59 -1.76 0.30 0.00 -0.02 0.00 0.00 33.50 32.61 2p0p n PRO 70 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2p0p h ASP 71 N 1.40 0.81 -0.30 2.55 5.19 -1.95 -1.62 116.42 122.51 2p0p h ASP 71 Ca -0.41 0.06 -0.08 0.00 -0.62 0.00 0.00 57.03 55.98 2p0p h ASP 71 Cb 1.36 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 40.75 2p0p h ASP 71 CO 0.56 0.40 -0.06 -0.78 -3.12 0.00 0.00 179.24 176.23 2p0p h ASP 72 N 0.85 0.66 0.06 6.45 3.58 -2.02 -1.92 116.42 124.08 2p0p h ASP 72 Ca 0.50 -0.17 -0.19 0.00 0.42 0.00 0.00 57.03 57.59 2p0p h ASP 72 Cb 0.66 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.53 2p0p h ASP 72 CO -0.27 0.78 -0.71 -0.33 -2.88 0.00 0.00 179.24 175.83 2p0p h GLU 73 N 0.64 0.58 -0.29 0.28 4.39 -1.68 -3.27 114.58 115.23 2p0p h GLU 73 Ca 0.12 -0.45 0.00 0.00 0.34 0.00 0.00 59.36 59.37 2p0p h GLU 73 Cb 0.49 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 2p0p h GLU 73 CO 0.03 1.07 0.00 0.00 -1.16 0.00 0.00 179.01 178.95 2p0p n LEU 75 N -0.32 0.00 0.00 0.00 4.77 -1.08 -4.11 117.00 116.26 2p0p n LEU 75 Ca 0.00 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 2p0p n LEU 75 Cb 0.07 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 2p0p n LEU 75 CO 0.00 -0.09 0.00 2.29 -1.33 0.00 0.00 177.39 178.26 2p0p n LYS 76 N -1.27 4.11 -3.49 3.23 2.85 -1.24 -4.32 118.16 118.03 2p0p n LYS 76 Ca 0.10 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.23 2p0p n LYS 76 Cb 0.16 -0.47 -0.04 0.00 -0.65 0.00 0.00 35.03 34.03 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 -0.28 -0.50 -1.20 -5.58 2.15 -1.26 -4.84 116.67 105.15 2p0p s ASP 77 Ca 0.00 0.07 -0.17 0.00 0.43 0.00 0.00 52.55 52.89 2p0p s ASP 77 Cb 0.00 0.55 0.12 0.00 -0.30 0.00 0.00 42.92 43.29 2p0p s ASP 77 CO 0.00 -0.86 1.53 -0.04 -0.17 0.00 0.00 175.17 175.63 2p0p s MET 78 N -3.19 3.96 0.43 4.34 -1.94 -1.26 -4.23 119.30 117.41 2p0p s MET 78 Ca -0.01 -2.14 -0.22 0.00 -1.71 0.00 0.00 55.69 51.61 2p0p s MET 78 Cb -0.00 -5.27 -0.10 0.00 2.01 0.00 0.00 34.83 31.47 2p0p s MET 78 CO -0.08 -2.01 0.97 0.71 -0.01 0.00 0.00 175.02 174.61 2p0p s TYR 79 N 3.06 3.29 0.02 -0.03 1.51 -1.26 -1.19 117.35 122.74 2p0p s TYR 79 Ca 0.47 1.63 0.03 0.00 -1.01 0.00 0.00 57.07 58.18 2p0p s TYR 79 Cb 0.00 -2.92 -0.01 0.00 -0.11 0.00 0.00 41.96 38.91 2p0p s TYR 79 CO 0.01 -0.26 -0.09 0.14 -1.11 0.00 0.00 175.55 174.25 2p0p s VAL 80 N -2.03 0.68 0.30 0.71 -7.23 0.23 -1.37 120.40 111.69 2p0p s VAL 80 Ca 0.61 -0.65 -0.28 0.00 -1.81 0.00 0.00 61.98 59.85 2p0p s VAL 80 Cb -0.13 -0.63 -0.09 0.00 0.56 0.00 0.00 36.38 36.09 2p0p s VAL 80 CO 0.17 -0.00 1.07 -1.61 -0.31 0.00 0.00 175.10 174.42 2p0p s GLU 81 N -0.72 4.56 -0.11 4.82 2.02 0.18 -0.88 118.70 128.57 2p0p s GLU 81 Ca -0.01 1.72 -0.09 0.00 0.02 0.00 0.00 54.97 56.61 2p0p s GLU 81 Cb -0.06 -3.06 0.03 0.00 0.10 0.00 0.00 34.13 31.14 2p0p s GLU 81 CO 0.00 0.16 0.29 0.54 0.02 0.00 0.00 175.26 176.27 2p0p s VAL 82 N -1.27 -0.00 -0.10 2.63 0.11 -0.26 -0.82 120.40 120.69 2p0p s VAL 82 Ca 0.47 0.01 0.01 0.00 -2.93 0.00 0.00 61.98 59.54 2p0p s VAL 82 Cb -0.29 -0.41 -0.02 0.00 -1.53 0.00 0.00 36.38 34.13 2p0p s VAL 82 CO 0.37 0.01 -0.11 0.00 -3.33 0.00 0.00 175.10 172.04 2p0p s ALA 83 N 0.28 2.75 -1.49 1.54 0.00 0.31 -0.35 121.76 124.80 2p0p s ALA 83 Ca -0.01 -0.91 -0.13 0.00 0.00 0.00 0.00 51.96 50.92 2p0p s ALA 83 Cb -0.03 -1.18 0.02 0.00 0.00 0.00 0.00 23.12 21.93 2p0p s ALA 83 CO -0.01 0.40 2.38 -3.47 0.00 0.00 0.00 175.76 175.07 2p0p n ASP 84 N 2.90 5.13 0.07 0.00 2.03 -1.23 -1.51 116.55 123.96 2p0p n ASP 84 Ca -0.18 -2.80 0.05 0.00 0.52 0.00 0.00 54.79 52.38 2p0p n ASP 84 Cb 0.53 -1.62 0.25 0.00 -0.72 0.00 0.00 41.12 39.56 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 4.60 1.57 1.09 5.18 -5.35 -1.22 -0.27 119.36 124.97 2p0p n ILE 85 Ca 0.58 0.60 0.12 0.00 -0.27 0.00 0.00 62.75 63.78 2p0p n ILE 85 Cb 0.35 -1.60 0.14 0.00 -1.74 0.00 0.00 39.64 36.79 2p0p n ILE 85 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2p0p n GLY 86 N -1.41 0.01 0.00 3.28 0.00 -0.95 -4.57 105.19 101.55 2p0p n GLY 86 Ca -0.01 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.43 2p0p n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p0p n GLY 87 N 1.37 1.00 1.10 -0.02 0.00 -0.46 -4.93 105.19 103.25 2p0p n GLY 87 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 0.00 0.00 1.61 4.76 0.62 -5.04 118.16 120.11 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 0.09 -0.22 0.00 0.00 -1.84 0.00 0.00 35.03 33.06 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 -2.05 0.00 -0.67 4.39 2.03 0.23 -4.50 116.55 115.97 2p0p n ASP 89 Ca 0.00 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.38 2p0p n ASP 89 Cb 0.00 -0.18 0.13 0.00 -0.72 0.00 0.00 41.12 40.35 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 2.71 -4.18 1.67 2.03 -1.26 -4.82 116.55 112.70 2p0p n ASP 90 Ca 0.00 -1.82 -0.11 0.00 0.52 0.00 0.00 54.79 53.38 2p0p n ASP 90 Cb 0.00 -0.17 -0.10 0.00 -0.72 0.00 0.00 41.12 40.13 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 -1.04 0.88 0.05 1.67 2.15 -1.26 -5.13 116.67 113.98 2p0p s ASP 91 Ca 0.23 -1.10 0.03 0.00 0.43 0.00 0.00 52.55 52.13 2p0p s ASP 91 Cb 0.13 0.16 -0.03 0.00 -0.30 0.00 0.00 42.92 42.89 2p0p s ASP 91 CO 0.18 -0.58 -0.09 -0.69 -0.17 0.00 0.00 175.17 173.82 2p0p s VAL 92 N -3.78 0.63 0.00 1.11 1.01 -1.26 -3.47 120.40 114.65 2p0p s VAL 92 Ca 0.18 -1.18 0.00 0.00 0.00 0.00 0.00 61.98 60.98 2p0p s VAL 92 Cb 0.06 -0.75 -0.00 0.00 0.00 0.00 0.00 36.38 35.69 2p0p s VAL 92 CO -0.01 -0.40 0.00 -1.22 0.00 0.00 0.00 175.10 173.47 2p0p n TYR 93 N 1.32 -0.05 -4.49 5.22 4.01 0.53 -4.99 117.16 118.71 2p0p n TYR 93 Ca -0.22 -0.03 -0.26 0.00 -0.16 0.00 0.00 57.90 57.23 2p0p n TYR 93 Cb 0.55 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.45 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 -2.05 1.85 0.08 -0.72 2.01 -1.26 -1.10 115.64 114.45 2p0p s THR 94 Ca 0.00 -1.45 -0.00 0.00 0.31 0.00 0.00 61.69 60.55 2p0p s THR 94 Cb 0.00 -1.64 -0.04 0.00 0.01 0.00 0.00 72.50 70.83 2p0p s THR 94 CO 0.00 0.10 -0.02 0.00 -0.69 0.00 0.00 174.62 174.02 2p0p s ALA 95 N -0.98 0.73 -0.08 7.40 0.00 -0.06 -4.91 121.76 123.86 2p0p s ALA 95 Ca 0.09 -1.32 -0.29 0.00 0.00 0.00 0.00 51.96 50.44 2p0p s ALA 95 Cb -0.10 0.39 -0.02 0.00 0.00 0.00 0.00 23.12 23.40 2p0p s ALA 95 CO 0.03 -0.36 0.97 -1.59 0.00 0.00 0.00 175.76 174.81 2p0p s LYS 96 N -3.93 4.45 0.50 0.00 0.00 -1.26 -0.60 119.74 118.90 2p0p s LYS 96 Ca 0.13 1.35 0.18 0.00 0.00 0.00 0.00 55.97 57.63 2p0p s LYS 96 Cb 0.07 -3.52 1.23 0.00 0.00 0.00 0.00 37.83 35.61 2p0p s LYS 96 CO -0.06 -0.22 2.06 1.25 0.00 0.00 0.00 175.35 178.38 2p0p h LEU 97 N 7.62 0.12 -1.66 2.77 5.85 -1.48 -0.81 115.31 127.71 2p0p h LEU 97 Ca -0.34 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.38 2p0p h LEU 97 Cb 1.17 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.18 2p0p h LEU 97 CO 0.82 0.07 0.24 0.28 -0.34 0.00 0.00 178.44 179.51 2p0p h SER 98 N 0.13 0.00 -0.14 1.25 0.02 -1.92 -2.53 113.55 110.35 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 0.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.97 2p0p h SER 98 CO -0.02 0.00 0.00 -0.67 -1.14 0.00 0.00 176.83 175.00 2p0p n ASP 99 N -2.55 2.68 -4.39 3.07 2.03 -0.31 -5.00 116.55 112.08 2p0p n ASP 99 Ca -0.02 -2.41 -0.25 0.00 0.52 0.00 0.00 54.79 52.63 2p0p n ASP 99 Cb 0.28 -0.25 -0.12 0.00 -0.72 0.00 0.00 41.12 40.31 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 -1.72 2.15 -0.18 5.18 1.01 -0.96 -1.43 121.20 125.25 2p0p s ILE 100 Ca 0.21 -1.95 0.01 0.00 0.00 0.00 0.00 60.65 58.91 2p0p s ILE 100 Cb 0.15 -2.00 0.02 0.00 0.01 0.00 0.00 42.46 40.64 2p0p s ILE 100 CO 0.07 -0.16 -0.20 -0.70 0.00 0.00 0.00 174.94 173.95 2p0p s GLU 101 N -2.63 3.01 0.26 2.79 2.12 -0.27 -4.93 118.70 119.05 2p0p s GLU 101 Ca 0.18 -0.82 -0.30 0.00 0.36 0.00 0.00 54.97 54.39 2p0p s GLU 101 Cb -0.07 -2.57 -0.09 0.00 0.26 0.00 0.00 34.13 31.65 2p0p s GLU 101 CO 0.08 -0.19 1.04 0.00 -0.54 0.00 0.00 175.26 175.66 2p0p s ALA 102 N 1.24 3.38 0.03 6.30 0.00 -1.26 -0.58 121.76 130.88 2p0p s ALA 102 Ca 0.04 0.79 0.06 0.00 0.00 0.00 0.00 51.96 52.84 2p0p s ALA 102 Cb -0.13 -3.28 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 2p0p s ALA 102 CO -0.11 -0.02 -0.16 0.42 0.00 0.00 0.00 175.76 175.88 2p0p s ILE 103 N -1.15 1.30 -1.63 0.00 1.01 -0.26 -4.81 121.20 115.67 2p0p s ILE 103 Ca 0.43 -1.02 0.00 0.00 0.00 0.00 0.00 60.65 60.07 2p0p s ILE 103 Cb -0.30 -1.15 0.00 0.00 0.01 0.00 0.00 42.46 41.02 2p0p s ILE 103 CO 0.38 0.11 0.00 -0.67 0.00 0.00 0.00 174.94 174.76 2p0p n ASP 104 N 1.99 -5.02 -4.94 3.58 2.03 -1.26 -3.99 116.55 108.93 2p0p n ASP 104 Ca -0.17 0.18 -0.24 0.00 0.52 0.00 0.00 54.79 55.07 2p0p n ASP 104 Cb 0.54 -4.29 0.02 0.00 -0.72 0.00 0.00 41.12 36.67 2p0p n ASP 104 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2p0p s VAL 105 N -2.77 3.87 0.70 5.18 -7.23 -1.26 -4.93 120.40 113.96 2p0p s VAL 105 Ca 0.00 -0.30 -0.13 0.00 -1.81 0.00 0.00 61.98 59.74 2p0p s VAL 105 Cb 0.00 -3.47 0.02 0.00 0.56 0.00 0.00 36.38 33.49 2p0p s VAL 105 CO 0.00 -0.39 1.09 -0.62 -0.31 0.00 0.00 175.10 174.87 2p0p s ASP 106 N -4.25 5.03 0.25 4.85 2.15 -1.26 -4.86 116.67 118.58 2p0p s ASP 106 Ca 0.50 1.84 -0.04 0.00 0.43 0.00 0.00 52.55 55.29 2p0p s ASP 106 Cb -0.10 -2.53 0.41 0.00 -0.30 0.00 0.00 42.92 40.41 2p0p s ASP 106 CO 0.41 -1.68 1.82 -0.78 -0.17 0.00 0.00 175.17 174.76 2p0p h ASP 107 N -0.47 0.72 0.04 -0.34 3.58 -1.99 -0.50 116.42 117.46 2p0p h ASP 107 Ca -0.45 0.05 -0.16 0.00 0.42 0.00 0.00 57.03 56.88 2p0p h ASP 107 Cb 1.23 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 42.18 2p0p h ASP 107 CO 0.54 0.41 -0.57 -0.78 -2.88 0.00 0.00 179.24 175.96 2p0p h ASP 108 N 0.83 0.61 0.09 2.28 3.58 -1.96 0.47 116.42 122.32 2p0p h ASP 108 Ca 0.41 -0.33 -0.00 0.00 0.42 0.00 0.00 57.03 57.52 2p0p h ASP 108 Cb 0.37 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.24 2p0p h ASP 108 CO -0.25 1.05 -0.04 0.74 -2.88 0.00 0.00 179.24 177.86 2p0p h THR 109 N 0.42 1.02 -0.51 2.25 2.02 -1.73 -2.06 112.91 114.31 2p0p h THR 109 Ca 0.00 -0.41 0.01 0.00 0.77 0.00 0.00 66.41 66.78 2p0p h THR 109 Cb 1.11 1.29 -0.03 0.00 -1.74 0.00 0.00 68.15 68.78 2p0p h THR 109 CO 0.11 0.10 0.34 -0.61 0.37 0.00 0.00 175.52 175.82 2p0p h GLN 110 N -0.31 0.67 -0.53 6.66 -0.00 -0.84 -2.11 115.11 118.65 2p0p h GLN 110 Ca -0.01 -0.04 -0.04 0.00 -0.00 0.00 0.00 58.65 58.55 2p0p h GLN 110 Cb 0.26 -0.15 -0.02 0.00 0.00 0.00 0.00 27.48 27.56 2p0p h GLN 110 CO 0.02 0.44 0.15 0.93 0.00 0.00 0.00 178.83 180.37 2p0p h GLU 111 N 0.69 0.79 -0.41 1.69 4.39 -0.89 0.14 114.58 120.97 2p0p h GLU 111 Ca 0.19 -0.15 -0.04 0.00 0.34 0.00 0.00 59.36 59.70 2p0p h GLU 111 Cb -0.07 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.44 2p0p h GLU 111 CO -0.05 0.70 0.09 0.00 -1.16 0.00 0.00 179.01 178.60 2p0p h ALA 112 N 1.39 0.54 -0.33 3.43 0.00 -0.83 0.06 119.26 123.53 2p0p h ALA 112 Ca 0.17 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 2p0p h ALA 112 Cb 0.25 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2p0p h ALA 112 CO -0.01 0.22 -0.16 0.82 0.00 0.00 0.00 179.25 180.12 2p0p h ILE 113 N 0.52 1.29 -0.73 0.00 2.04 -0.99 -1.55 117.51 118.09 2p0p h ILE 113 Ca 0.13 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.71 2p0p h ILE 113 Cb 0.32 1.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.78 2p0p h ILE 113 CO 0.00 0.41 0.47 0.00 0.00 0.00 0.00 178.15 179.03 2p0p h ALA 114 N 0.77 0.92 -0.24 1.87 0.00 -0.64 -0.96 119.26 120.99 2p0p h ALA 114 Ca 0.07 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 2p0p h ALA 114 Cb 0.70 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2p0p h ALA 114 CO 0.05 0.37 -0.36 0.22 0.00 0.00 0.00 179.25 179.52 2p0p h ASP 115 N 0.99 0.56 -0.34 0.00 3.58 -0.81 0.63 116.42 121.02 2p0p h ASP 115 Ca 0.26 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2p0p h ASP 115 Cb -0.08 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 40.80 2p0p h ASP 115 CO -0.05 0.87 0.22 -0.25 -2.88 0.00 0.00 179.24 177.15 2p0p h TRP 116 N 0.45 0.44 -0.69 0.28 2.91 -0.96 -0.30 115.95 118.07 2p0p h TRP 116 Ca 0.05 0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.04 2p0p h TRP 116 Cb 0.84 -0.15 -0.03 0.00 -0.51 0.00 0.00 29.16 29.31 2p0p h TRP 116 CO 0.03 0.29 0.32 -0.07 -1.03 0.00 0.00 178.44 177.98 2p0p h LEU 117 N 0.46 0.92 -0.35 0.65 3.38 -0.61 0.16 115.31 119.91 2p0p h LEU 117 Ca 0.12 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2p0p h LEU 117 Cb -0.04 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 2p0p h LEU 117 CO -0.03 0.80 0.16 1.88 0.09 0.00 0.00 178.44 181.35 2p0p h TYR 118 N 0.97 0.52 -0.86 1.13 0.05 -0.74 -2.31 116.97 115.72 2p0p h TYR 118 Ca 0.24 -0.03 0.03 0.00 0.05 0.00 0.00 58.73 59.01 2p0p h TYR 118 Cb 0.14 -0.16 -0.05 0.00 1.01 0.00 0.00 36.73 37.67 2p0p h TYR 118 CO 0.01 0.46 0.57 2.35 -1.05 0.00 0.00 178.16 180.50 2p0p h TRP 119 N 0.43 1.06 0.00 4.88 2.91 -0.63 0.12 115.95 124.72 2p0p h TRP 119 Ca 0.12 0.03 -0.00 0.00 1.13 0.00 0.00 58.89 60.17 2p0p h TRP 119 Cb 0.15 -0.35 0.00 0.00 -0.51 0.00 0.00 29.16 28.44 2p0p h TRP 119 CO -0.01 0.63 -0.00 1.25 -1.03 0.00 0.00 178.44 179.28 2p0p h LEU 120 N 1.11 -0.00 -0.86 0.65 7.12 -0.59 -1.63 115.31 121.10 2p0p h LEU 120 Ca 0.33 -0.05 -0.08 0.00 0.13 0.00 0.00 57.88 58.21 2p0p h LEU 120 Cb -0.03 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.08 2p0p h LEU 120 CO -0.09 0.05 -0.05 0.00 -0.13 0.00 0.00 178.44 178.21 2p0p h ALA 121 N 0.95 1.05 0.00 1.25 0.00 -1.11 -2.81 119.26 118.59 2p0p h ALA 121 Ca -0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 2p0p h ALA 121 Cb 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2p0p h ALA 121 CO 0.00 0.59 -0.19 -0.09 0.00 0.00 0.00 179.25 179.56 2p0p h ARG 122 N 0.73 0.00 0.00 0.00 9.65 -0.22 -3.45 114.38 121.08 2p0p h ARG 122 Ca 0.13 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.01 2p0p h ARG 122 Cb 0.52 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.10 2p0p h ARG 122 CO 0.03 0.19 0.00 0.41 2.80 0.00 0.00 179.97 183.39 2p0p n GLY 123 N -0.68 0.02 4.14 2.80 0.00 -0.66 -4.98 105.19 105.83 2p0p n GLY 123 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 -1.43 0.21 1.61 9.36 -0.94 -4.86 117.16 121.11 2p0p n TYR 124 Ca 0.00 0.57 0.07 0.00 3.32 0.00 0.00 57.90 61.85 2p0p n TYR 124 Cb 0.00 -3.12 0.45 0.00 -0.63 0.00 0.00 39.34 36.04 2p0p n TYR 124 CO 0.00 0.00 0.00 0.87 0.22 0.00 0.00 176.86 177.95 2p0p h LYS 125 N -1.93 0.00 0.00 2.98 1.79 -1.91 -3.51 116.57 113.99 2p0p h LYS 125 Ca -0.66 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.81 2p0p h LYS 125 Cb 1.39 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.04 2p0p h LYS 125 CO 0.65 0.30 0.00 1.97 -1.08 0.00 0.00 179.45 181.29