#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 1.67 0.00 -5.12 0.00 -1.77 -3.24 119.26 110.81 2p0p h ALA 2 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2p0p h ALA 2 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2p0p h ALA 2 CO 0.00 0.25 0.15 0.43 0.00 0.00 0.00 179.25 180.07 2p0p n SER 3 N -4.30 0.29 -0.23 0.00 7.64 -1.26 -1.32 113.62 114.44 2p0p n SER 3 Ca -0.02 0.56 -0.03 0.00 1.01 0.00 0.00 58.87 60.39 2p0p n SER 3 Cb 0.26 -0.56 0.16 0.00 -1.01 0.00 0.00 64.21 63.05 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 0.00 1.23 -0.46 0.44 -1.51 -1.93 -3.39 116.25 110.63 2p0p h VAL 4 Ca 0.00 -0.67 -0.30 0.00 -1.23 0.00 0.00 66.70 64.50 2p0p h VAL 4 Cb 0.29 0.32 -0.21 0.00 -2.13 0.00 0.00 31.29 29.57 2p0p h VAL 4 CO 0.00 0.28 -0.62 -0.62 -1.23 0.00 0.00 177.57 175.39 2p0p n GLU 5 N -4.32 1.01 0.26 5.19 -0.58 -0.43 -4.95 120.64 116.82 2p0p n GLU 5 Ca 0.07 -2.26 0.14 0.00 -0.42 0.00 0.00 57.16 54.68 2p0p n GLU 5 Cb 0.15 -1.18 0.70 0.00 -0.57 0.00 0.00 31.44 30.54 2p0p n GLU 5 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2p0p h ARG 6 N 2.99 0.00 -6.67 3.49 3.08 -1.72 -3.44 114.38 112.12 2p0p h ARG 6 Ca -0.06 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.47 2p0p h ARG 6 Cb 1.07 0.00 0.06 0.00 0.08 0.00 0.00 29.97 31.18 2p0p h ARG 6 CO 0.21 0.11 1.01 -3.47 -1.07 0.00 0.00 179.97 176.76 2p0p n ASP 7 N -3.39 4.00 0.07 7.04 -0.08 -1.26 -4.89 116.55 118.04 2p0p n ASP 7 Ca -0.01 1.07 0.10 0.00 -1.51 0.00 0.00 54.79 54.44 2p0p n ASP 7 Cb 0.29 -1.58 0.42 0.00 2.34 0.00 0.00 41.12 42.59 2p0p n ASP 7 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2p0p n GLU 8 N 3.84 0.11 -0.10 -0.67 1.02 -1.26 -3.81 120.64 119.77 2p0p n GLU 8 Ca 0.15 0.32 -0.06 0.00 -0.02 0.00 0.00 57.16 57.56 2p0p n GLU 8 Cb 0.35 -1.70 0.02 0.00 -0.02 0.00 0.00 31.44 30.09 2p0p n GLU 8 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 2p0p h THR 9 N 0.00 0.82 -0.35 2.62 2.02 -1.94 -0.52 112.91 115.56 2p0p h THR 9 Ca 0.00 -0.07 -0.06 0.00 0.77 0.00 0.00 66.41 67.05 2p0p h THR 9 Cb 0.35 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 2p0p h THR 9 CO 0.00 0.03 -0.04 0.03 0.37 0.00 0.00 175.52 175.91 2p0p h ARG 10 N 0.19 0.56 -0.23 6.66 2.47 -1.93 0.21 114.38 122.31 2p0p h ARG 10 Ca 0.17 -0.14 -0.05 0.00 -1.26 0.00 0.00 59.98 58.70 2p0p h ARG 10 Cb 0.19 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.43 2p0p h ARG 10 CO -0.22 0.62 -0.04 0.93 0.56 0.00 0.00 179.97 181.82 2p0p h GLU 11 N 0.53 0.43 -0.26 0.04 4.39 -1.61 -0.21 114.58 117.88 2p0p h GLU 11 Ca 0.11 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 2p0p h GLU 11 Cb 0.41 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 2p0p h GLU 11 CO 0.02 0.65 0.16 1.25 -1.16 0.00 0.00 179.01 179.92 2p0p h HIS 12 N 0.17 0.34 -0.15 4.33 -0.00 -0.79 -2.83 115.15 116.22 2p0p h HIS 12 Ca 0.06 -0.00 -0.08 0.00 -0.00 0.00 0.00 60.37 60.35 2p0p h HIS 12 Cb 0.48 -0.11 -0.00 0.00 -0.00 0.00 0.00 27.41 27.78 2p0p h HIS 12 CO 0.05 0.26 -0.20 0.00 -0.00 0.00 0.00 177.93 178.03 2p0p h ARG 13 N 0.33 0.40 -0.84 5.26 2.47 -0.46 -1.97 114.38 119.57 2p0p h ARG 13 Ca 0.09 -0.23 0.01 0.00 -1.26 0.00 0.00 59.98 58.59 2p0p h ARG 13 Cb 0.02 0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 28.31 2p0p h ARG 13 CO -0.02 0.81 0.56 0.97 0.56 0.00 0.00 179.97 182.85 2p0p h ILE 14 N 0.03 1.21 0.00 2.04 2.10 -1.09 0.11 117.51 121.91 2p0p h ILE 14 Ca 0.02 -0.39 -0.03 0.00 1.08 0.00 0.00 64.86 65.53 2p0p h ILE 14 Cb 0.76 -0.03 -0.00 0.00 -1.09 0.00 0.00 36.82 36.46 2p0p h ILE 14 CO 0.05 0.21 -0.16 -0.08 -1.08 0.00 0.00 178.15 177.08 2p0p h GLU 15 N 1.13 0.00 -0.01 2.19 4.81 -1.35 -0.80 114.58 120.55 2p0p h GLU 15 Ca 0.31 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 2p0p h GLU 15 Cb -0.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.27 2p0p h GLU 15 CO -0.07 0.16 -0.12 0.25 -0.73 0.00 0.00 179.01 178.50 2p0p n THR 16 N -4.34 0.00 0.00 0.32 -2.24 -0.64 -3.51 114.28 103.87 2p0p n THR 16 Ca -0.03 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 2p0p n THR 16 Cb 0.23 1.24 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 2p0p n THR 16 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2p0p n GLU 17 N 0.39 3.43 0.05 -0.78 0.28 0.30 -4.92 120.64 119.40 2p0p n GLU 17 Ca 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.07 2p0p n GLU 17 Cb 0.33 -0.69 0.00 0.00 1.43 0.00 0.00 31.44 32.52 2p0p n GLU 17 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 2p0p n ILE 18 N -0.63 0.49 -0.19 3.84 5.41 -0.42 -4.87 119.36 122.99 2p0p n ILE 18 Ca 0.00 0.16 -0.01 0.00 1.00 0.00 0.00 62.75 63.90 2p0p n ILE 18 Cb 0.03 -1.00 0.20 0.00 -0.71 0.00 0.00 39.64 38.16 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 1.85 -0.29 1.39 -5.35 -0.52 -4.58 119.36 108.75 2p0p n ILE 19 Ca 0.00 -0.93 0.07 0.00 -0.27 0.00 0.00 62.75 61.63 2p0p n ILE 19 Cb 0.00 -0.46 0.29 0.00 -1.74 0.00 0.00 39.64 37.73 2p0p n ILE 19 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 2p0p h VAL 20 N 1.85 0.97 -0.19 7.28 2.07 -1.75 -1.76 116.25 124.72 2p0p h VAL 20 Ca 0.11 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.32 2p0p h VAL 20 Cb 1.61 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 2p0p h VAL 20 CO 0.40 0.16 0.00 -0.67 0.02 0.00 0.00 177.57 177.49 2p0p n ASP 21 N -4.54 3.04 -4.68 0.57 2.03 -1.26 -4.95 116.55 106.76 2p0p n ASP 21 Ca 0.16 -1.95 -0.35 0.00 0.52 0.00 0.00 54.79 53.17 2p0p n ASP 21 Cb 0.31 -0.11 -0.09 0.00 -0.72 0.00 0.00 41.12 40.50 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 -1.78 3.28 0.00 -1.67 0.00 -0.66 -5.00 121.76 115.93 2p0p s ALA 22 Ca 0.33 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.47 2p0p s ALA 22 Cb 0.21 -1.46 0.00 0.00 0.00 0.00 0.00 23.12 21.87 2p0p s ALA 22 CO 0.31 0.59 0.15 0.39 0.00 0.00 0.00 175.76 177.20 2p0p n GLU 23 N 2.06 -0.20 -4.02 0.00 1.02 -1.26 -4.88 120.64 113.36 2p0p n GLU 23 Ca -0.18 -0.15 -0.10 0.00 -0.02 0.00 0.00 57.16 56.71 2p0p n GLU 23 Cb 0.53 -0.63 -0.11 0.00 -0.02 0.00 0.00 31.44 31.21 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 -0.01 0.45 0.45 1.62 2.15 -1.26 -5.04 116.67 115.02 2p0p s ASP 24 Ca 0.00 -0.60 0.17 0.00 0.43 0.00 0.00 52.55 52.55 2p0p s ASP 24 Cb 0.00 0.10 1.10 0.00 -0.30 0.00 0.00 42.92 43.82 2p0p s ASP 24 CO 0.00 -0.33 1.94 0.07 -0.17 0.00 0.00 175.17 176.69 2p0p h LYS 25 N 4.34 0.34 -0.32 4.34 5.09 -1.95 0.82 116.57 129.22 2p0p h LYS 25 Ca -0.33 -0.02 -0.12 0.00 0.09 0.00 0.00 60.65 60.26 2p0p h LYS 25 Cb 1.20 -0.08 -0.01 0.00 0.10 0.00 0.00 32.23 33.45 2p0p h LYS 25 CO 0.45 0.22 -0.28 0.93 -2.09 0.00 0.00 179.45 178.68 2p0p h GLU 26 N 0.35 0.75 -0.33 0.07 5.08 -1.98 -0.93 114.58 117.59 2p0p h GLU 26 Ca 0.33 -0.38 -0.11 0.00 -1.00 0.00 0.00 59.36 58.20 2p0p h GLU 26 Cb 0.81 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 2p0p h GLU 26 CO -0.09 1.01 -0.25 0.93 -1.00 0.00 0.00 179.01 179.61 2p0p h GLU 27 N 0.52 0.66 -0.71 2.33 4.39 -1.44 -1.26 114.58 119.07 2p0p h GLU 27 Ca 0.05 -0.27 -0.07 0.00 0.34 0.00 0.00 59.36 59.42 2p0p h GLU 27 Cb 0.85 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.44 2p0p h GLU 27 CO 0.07 0.85 0.17 0.00 -1.16 0.00 0.00 179.01 178.94 2p0p h ARG 28 N 0.57 1.14 -0.83 2.33 -0.00 -0.81 0.21 114.38 116.99 2p0p h ARG 28 Ca 0.08 -0.27 -0.02 0.00 -0.50 0.00 0.00 59.98 59.26 2p0p h ARG 28 Cb 0.73 -0.15 -0.04 0.00 0.00 0.00 0.00 29.97 30.51 2p0p h ARG 28 CO 0.06 1.00 0.44 0.00 0.00 0.00 0.00 179.97 181.47 2p0p h ALA 29 N 1.10 1.07 -0.68 0.04 0.00 -0.67 -0.66 119.26 119.46 2p0p h ALA 29 Ca 0.22 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 2p0p h ALA 29 Cb 0.38 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2p0p h ALA 29 CO 0.00 0.60 0.13 0.52 0.00 0.00 0.00 179.25 180.50 2p0p h MET 30 N 1.17 1.11 0.06 0.00 2.86 -0.85 0.08 114.93 119.35 2p0p h MET 30 Ca 0.29 -0.29 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2p0p h MET 30 Cb 0.06 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.58 2p0p h MET 30 CO -0.04 1.01 -0.03 0.78 1.06 0.00 0.00 176.91 179.69 2p0p h GLY 31 N 1.04 -0.08 0.39 8.32 0.00 -0.48 0.22 103.07 112.49 2p0p h GLY 31 Ca 0.21 0.03 0.03 0.00 0.00 0.00 0.00 47.33 47.60 2p0p h GLY 31 CO 0.01 -0.03 -0.26 1.49 0.00 0.00 0.00 176.54 177.76 2p0p h TRP 32 N -0.08 -0.69 -0.37 5.60 4.06 -1.04 -2.82 115.95 120.61 2p0p h TRP 32 Ca -0.01 0.02 0.04 0.00 2.06 0.00 0.00 58.89 61.00 2p0p h TRP 32 Cb 0.07 0.31 -0.04 0.00 -1.00 0.00 0.00 29.16 28.50 2p0p h TRP 32 CO -0.07 -0.34 0.16 -0.92 -3.56 0.00 0.00 178.44 173.70 2p0p h TYR 33 N -0.38 0.29 0.45 0.49 5.03 -0.72 -1.10 116.97 121.03 2p0p h TYR 33 Ca 0.07 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.38 2p0p h TYR 33 Cb 0.48 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 38.68 2p0p h TYR 33 CO -0.30 0.14 -0.29 -0.92 -1.32 0.00 0.00 178.16 175.47 2p0p h TYR 34 N 0.33 -0.76 -0.16 -3.82 3.20 -0.79 0.33 116.97 115.31 2p0p h TYR 34 Ca 0.16 -0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.85 2p0p h TYR 34 Cb 0.11 0.27 -0.00 0.00 1.54 0.00 0.00 36.73 38.65 2p0p h TYR 34 CO -0.12 -0.44 -0.61 0.10 -1.64 0.00 0.00 178.16 175.45 2p0p h TYR 35 N -0.71 0.70 0.10 -3.82 -0.00 -1.45 -2.76 116.97 109.03 2p0p h TYR 35 Ca -0.05 -0.27 -0.00 0.00 -0.00 0.00 0.00 58.73 58.41 2p0p h TYR 35 Cb 0.58 -0.12 0.00 0.00 -0.00 0.00 0.00 36.73 37.19 2p0p h TYR 35 CO -0.11 1.02 -0.05 1.25 -0.00 0.00 0.00 178.16 180.28 2p0p h LEU 36 N 0.41 -0.11 -1.16 0.10 5.85 -0.98 -0.92 115.31 118.50 2p0p h LEU 36 Ca -0.01 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.52 2p0p h LEU 36 Cb 1.17 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.19 2p0p h LEU 36 CO 0.11 0.13 0.48 -0.78 -0.34 0.00 0.00 178.44 178.04 2p0p h ASP 37 N -0.35 0.93 0.50 1.25 3.58 -0.99 0.11 116.42 121.45 2p0p h ASP 37 Ca -0.01 -0.05 -0.03 0.00 0.42 0.00 0.00 57.03 57.36 2p0p h ASP 37 Cb 0.30 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 41.11 2p0p h ASP 37 CO 0.02 0.70 -0.13 -0.78 -2.88 0.00 0.00 179.24 176.17 2p0p h ASP 38 N 1.07 0.00 0.14 2.28 3.58 -1.28 -3.27 116.42 118.94 2p0p h ASP 38 Ca 0.28 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 57.37 2p0p h ASP 38 Cb -0.06 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 40.94 2p0p h ASP 38 CO -0.05 0.13 -2.16 0.41 -2.88 0.00 0.00 179.24 174.68 2p0p n THR 39 N -3.54 1.57 -1.67 2.25 -1.04 -0.11 -4.90 114.28 106.84 2p0p n THR 39 Ca -0.01 -0.71 -0.43 0.00 -2.04 0.00 0.00 64.05 60.85 2p0p n THR 39 Cb 0.28 -1.19 -0.03 0.00 -1.82 0.00 0.00 70.33 67.56 2p0p n THR 39 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2p0p n LEU 40 N -3.15 4.01 -2.00 -4.42 4.77 0.21 -4.41 117.00 112.01 2p0p n LEU 40 Ca -0.33 0.93 -0.12 0.00 -0.03 0.00 0.00 56.01 56.46 2p0p n LEU 40 Cb 1.06 -1.50 -0.14 0.00 -2.33 0.00 0.00 43.42 40.51 2p0p n LEU 40 CO 0.39 0.15 1.54 -0.62 -1.33 0.00 0.00 177.39 177.52 2p0p n GLU 41 N 6.96 1.93 -1.48 3.23 -0.58 -1.26 -4.96 120.64 124.49 2p0p n GLU 41 Ca 0.20 -1.05 -0.34 0.00 -0.42 0.00 0.00 57.16 55.55 2p0p n GLU 41 Cb 0.38 -1.90 0.08 0.00 -0.57 0.00 0.00 31.44 29.43 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 0.55 2.18 0.60 -0.32 -0.12 -1.26 -4.37 117.98 115.25 2p0p s PHE 42 Ca 0.58 1.60 -0.17 0.00 -0.05 0.00 0.00 56.93 58.89 2p0p s PHE 42 Cb 0.29 -3.38 -0.03 0.00 -0.63 0.00 0.00 43.02 39.27 2p0p s PHE 42 CO -0.02 -2.37 1.12 -1.25 -0.05 0.00 0.00 175.22 172.65 2p0p s PRO 43 N -4.01 3.06 0.06 1.99 0.04 -1.26 -5.03 135.00 129.85 2p0p s PRO 43 Ca 0.72 1.51 0.01 0.00 0.04 0.00 0.00 61.00 63.27 2p0p s PRO 43 Cb -0.26 -1.97 -0.00 0.00 0.04 0.00 0.00 34.50 32.30 2p0p s PRO 43 CO 0.45 -1.07 0.06 1.97 0.04 0.00 0.00 177.00 178.45 2p0p n PHE 44 N -1.88 -0.26 -4.38 0.56 -1.74 -0.34 -5.00 117.46 104.41 2p0p n PHE 44 Ca 0.11 -0.45 -0.19 0.00 -0.56 0.00 0.00 57.45 56.36 2p0p n PHE 44 Cb 0.51 0.06 -0.10 0.00 1.52 0.00 0.00 39.48 41.47 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 1.48 0.15 3.97 0.23 -1.25 -0.24 119.30 121.43 2p0p s MET 45 Ca 0.06 -1.79 -0.13 0.00 -1.03 0.00 0.00 55.69 52.80 2p0p s MET 45 Cb 0.00 -0.69 0.05 0.00 -1.53 0.00 0.00 34.83 32.66 2p0p s MET 45 CO 0.04 -0.15 0.66 0.41 -2.03 0.00 0.00 175.02 173.95 2p0p n GLY 46 N -0.54 0.92 3.15 3.16 0.00 -0.14 -1.09 105.19 110.66 2p0p n GLY 46 Ca -0.03 -1.09 -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 3.04 -0.46 1.61 2.47 0.23 -0.94 119.74 123.65 2p0p s LYS 47 Ca 0.14 -0.81 -0.29 0.00 -1.56 0.00 0.00 55.97 53.46 2p0p s LYS 47 Cb -0.02 -2.66 0.02 0.00 -1.46 0.00 0.00 37.83 33.70 2p0p s LYS 47 CO 0.04 -0.22 1.31 -0.46 0.16 0.00 0.00 175.35 176.19 2p0p s TRP 48 N 1.32 2.53 -0.41 4.03 -0.11 0.24 -1.07 118.94 125.47 2p0p s TRP 48 Ca 0.05 0.65 -0.07 0.00 1.22 0.00 0.00 56.10 57.95 2p0p s TRP 48 Cb -0.13 -4.38 -0.22 0.00 -1.50 0.00 0.00 33.47 27.23 2p0p s TRP 48 CO -0.11 -1.73 3.46 1.63 -4.62 0.00 0.00 176.95 175.58 2p0p n LYS 49 N 8.09 2.43 -1.68 5.86 4.76 -0.50 -1.53 118.16 135.60 2p0p n LYS 49 Ca 0.14 -1.31 -0.46 0.00 -2.87 0.00 0.00 58.31 53.82 2p0p n LYS 49 Cb 0.49 -2.20 -0.04 0.00 -1.84 0.00 0.00 35.03 31.43 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 2.76 2.37 0.07 1.97 4.81 0.09 -4.59 118.16 125.65 2p0p n LYS 50 Ca 0.52 0.86 0.11 0.00 -0.87 0.00 0.00 58.31 58.94 2p0p n LYS 50 Cb 0.75 -2.70 0.00 0.00 0.02 0.00 0.00 35.03 33.10 2p0p n LYS 50 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2p0p n LYS 51 N 5.34 0.53 -1.81 1.64 5.02 -1.26 -0.56 118.16 127.06 2p0p n LYS 51 Ca 0.19 0.06 -0.43 0.00 -2.02 0.00 0.00 58.31 56.12 2p0p n LYS 51 Cb 0.32 -1.74 -0.03 0.00 -0.02 0.00 0.00 35.03 33.56 2p0p n LYS 51 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2p0p s SER 52 N -4.92 6.09 0.20 4.39 0.01 -1.26 -4.20 113.70 114.00 2p0p s SER 52 Ca 0.00 2.03 -0.08 0.00 1.31 0.00 0.00 55.95 59.21 2p0p s SER 52 Cb 0.11 -2.52 0.03 0.00 0.21 0.00 0.00 66.02 63.85 2p0p s SER 52 CO 0.80 -1.43 0.43 -1.14 0.41 0.00 0.00 173.24 172.30 2p0p n ARG 53 N 8.00 0.58 0.09 12.44 0.63 -1.26 -4.93 116.66 132.20 2p0p n ARG 53 Ca 0.23 -1.14 0.08 0.00 -0.92 0.00 0.00 57.85 56.10 2p0p n ARG 53 Cb 0.44 1.43 0.37 0.00 0.45 0.00 0.00 32.46 35.14 2p0p n ARG 53 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2p0p n LYS 54 N -0.29 0.09 -4.29 -0.14 4.76 -1.26 -4.73 118.16 112.30 2p0p n LYS 54 Ca -0.04 0.50 -0.17 0.00 -2.87 0.00 0.00 58.31 55.73 2p0p n LYS 54 Cb 0.31 -1.75 -0.09 0.00 -1.84 0.00 0.00 35.03 31.66 2p0p n LYS 54 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2p0p s THR 55 N -3.27 0.22 -1.82 -0.18 -4.23 -1.26 -5.04 115.64 100.05 2p0p s THR 55 Ca 0.01 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 58.71 2p0p s THR 55 Cb 0.06 -2.52 0.48 0.00 1.34 0.00 0.00 72.50 71.86 2p0p s THR 55 CO 0.19 0.00 1.56 -1.20 -0.54 0.00 0.00 174.62 174.63 2p0p n SER 56 N -0.80 0.00 -4.70 3.99 7.64 -1.26 -4.74 113.62 113.75 2p0p n SER 56 Ca 0.02 -0.41 -0.44 0.00 1.01 0.00 0.00 58.87 59.05 2p0p n SER 56 Cb 0.65 -0.09 -0.03 0.00 -1.01 0.00 0.00 64.21 63.73 2p0p n SER 56 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2p0p n THR 57 N -1.09 0.61 -1.97 0.44 -1.04 -1.26 -4.81 114.28 105.17 2p0p n THR 57 Ca 0.13 -0.15 -0.41 0.00 -2.04 0.00 0.00 64.05 61.58 2p0p n THR 57 Cb 0.09 -1.73 -0.01 0.00 -1.82 0.00 0.00 70.33 66.87 2p0p n THR 57 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2p0p s ILE 58 N 0.37 2.40 0.09 12.58 -1.09 -1.26 -4.53 121.20 129.77 2p0p s ILE 58 Ca 0.70 0.40 0.07 0.00 -2.23 0.00 0.00 60.65 59.60 2p0p s ILE 58 Cb -0.58 -3.25 -0.03 0.00 -1.58 0.00 0.00 42.46 37.01 2p0p s ILE 58 CO 0.44 0.09 -0.19 -1.61 -1.23 0.00 0.00 174.94 172.44 2p0p s GLU 59 N -1.99 1.04 -0.31 2.79 0.41 0.28 -4.99 118.70 115.93 2p0p s GLU 59 Ca 0.52 -1.11 0.01 0.00 -0.41 0.00 0.00 54.97 53.98 2p0p s GLU 59 Cb -0.42 -1.24 0.09 0.00 -1.78 0.00 0.00 34.13 30.78 2p0p s GLU 59 CO 0.57 0.28 0.05 -1.21 -0.49 0.00 0.00 175.26 174.47 2p0p s GLU 60 N -1.87 1.17 -0.24 1.61 2.02 -1.26 -0.73 118.70 119.40 2p0p s GLU 60 Ca 0.04 -1.36 -0.09 0.00 0.02 0.00 0.00 54.97 53.58 2p0p s GLU 60 Cb -0.10 -2.56 -0.04 0.00 0.10 0.00 0.00 34.13 31.53 2p0p s GLU 60 CO 0.04 -0.90 0.11 0.15 0.02 0.00 0.00 175.26 174.68 2p0p s LYS 61 N 1.30 3.86 0.17 1.61 1.02 -0.58 -4.94 119.74 122.18 2p0p s LYS 61 Ca 0.07 -0.38 -0.30 0.00 0.02 0.00 0.00 55.97 55.38 2p0p s LYS 61 Cb -0.18 -3.41 -0.09 0.00 -0.52 0.00 0.00 37.83 33.64 2p0p s LYS 61 CO -0.15 -0.04 1.35 0.99 -0.92 0.00 0.00 175.35 176.58 2p0p s THR 62 N 1.28 3.21 0.03 2.17 2.01 -1.26 -0.59 115.64 122.48 2p0p s THR 62 Ca 0.06 0.94 -0.01 0.00 0.31 0.00 0.00 61.69 62.99 2p0p s THR 62 Cb -0.14 -3.60 -0.02 0.00 0.01 0.00 0.00 72.50 68.74 2p0p s THR 62 CO 0.05 0.12 -0.01 0.68 -0.69 0.00 0.00 174.62 174.76 2p0p s VAL 63 N 0.48 0.14 -0.26 3.82 -7.23 -0.12 -0.74 120.40 116.49 2p0p s VAL 63 Ca 0.60 -1.18 -0.08 0.00 -1.81 0.00 0.00 61.98 59.51 2p0p s VAL 63 Cb -0.37 -0.69 -0.02 0.00 0.56 0.00 0.00 36.38 35.85 2p0p s VAL 63 CO 0.36 -0.65 0.09 -0.70 -0.31 0.00 0.00 175.10 173.88 2p0p s GLU 64 N -2.28 3.58 -0.35 4.82 2.12 -0.29 -0.97 118.70 125.33 2p0p s GLU 64 Ca -0.08 -0.53 -0.21 0.00 0.36 0.00 0.00 54.97 54.50 2p0p s GLU 64 Cb -0.04 -3.37 0.00 0.00 0.26 0.00 0.00 34.13 30.98 2p0p s GLU 64 CO -0.04 -0.24 0.69 0.08 -0.54 0.00 0.00 175.26 175.21 2p0p s VAL 65 N 1.61 4.85 -0.02 3.70 1.01 0.67 -0.67 120.40 131.55 2p0p s VAL 65 Ca 0.06 0.74 0.12 0.00 0.00 0.00 0.00 61.98 62.89 2p0p s VAL 65 Cb -0.16 -4.11 -0.13 0.00 0.00 0.00 0.00 36.38 31.99 2p0p s VAL 65 CO 0.04 -0.32 1.16 -0.07 0.00 0.00 0.00 175.10 175.91 2p0p h LEU 66 N 9.45 0.00 0.00 3.92 3.38 -1.19 -0.90 115.31 129.97 2p0p h LEU 66 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2p0p h LEU 66 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2p0p h LEU 66 CO 0.86 0.80 0.00 0.61 0.09 0.00 0.00 178.44 180.80 2p0p n GLY 67 N 1.36 -0.25 3.75 0.83 0.00 -1.25 -4.18 105.19 105.45 2p0p n GLY 67 Ca -0.04 -1.34 -0.35 0.00 0.00 0.00 0.00 46.02 44.29 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 -1.93 2.76 1.10 1.61 -1.94 -1.26 -0.71 119.30 118.93 2p0p s MET 68 Ca 0.00 1.72 -0.14 0.00 -1.71 0.00 0.00 55.69 55.56 2p0p s MET 68 Cb 0.00 -1.91 0.24 0.00 2.01 0.00 0.00 34.83 35.17 2p0p s MET 68 CO 0.00 -1.35 1.07 0.00 -0.01 0.00 0.00 175.02 174.73 2p0p s ALA 69 N -1.83 0.39 0.64 3.03 0.00 -0.23 -4.32 121.76 119.44 2p0p s ALA 69 Ca 0.75 -0.44 -0.17 0.00 0.00 0.00 0.00 51.96 52.09 2p0p s ALA 69 Cb -0.28 -3.10 -0.08 0.00 0.00 0.00 0.00 23.12 19.66 2p0p s ALA 69 CO 0.37 -3.34 0.33 -2.30 0.00 0.00 0.00 175.76 170.82 2p0p n PRO 70 N -4.56 0.30 -0.19 0.00 -0.02 -1.26 -4.74 135.00 124.54 2p0p n PRO 70 Ca 0.06 0.13 0.13 0.00 -2.02 0.00 0.00 63.50 61.80 2p0p n PRO 70 Cb 0.57 -1.58 0.45 0.00 -0.02 0.00 0.00 33.50 32.92 2p0p n PRO 70 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2p0p h ASP 71 N -0.12 0.50 0.65 2.55 3.58 -1.96 -1.07 116.42 120.55 2p0p h ASP 71 Ca -0.45 0.02 -0.12 0.00 0.42 0.00 0.00 57.03 56.91 2p0p h ASP 71 Cb 1.38 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 42.34 2p0p h ASP 71 CO 0.43 0.27 -0.55 -0.78 -2.88 0.00 0.00 179.24 175.73 2p0p h ASP 72 N 0.54 0.00 0.01 2.28 3.58 -2.01 -2.36 116.42 118.47 2p0p h ASP 72 Ca 0.37 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.82 2p0p h ASP 72 Cb 0.69 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.74 2p0p h ASP 72 CO -0.14 0.55 -0.01 -0.33 -2.88 0.00 0.00 179.24 176.44 2p0p h GLU 73 N 0.00 -0.01 0.00 0.28 4.39 -1.57 -3.30 114.58 114.37 2p0p h GLU 73 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2p0p h GLU 73 Cb 1.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 2p0p h GLU 73 CO 0.07 0.53 0.00 0.00 -1.16 0.00 0.00 179.01 178.45 2p0p n LEU 75 N -0.64 0.49 0.00 0.00 -0.00 -0.91 -4.33 117.00 111.61 2p0p n LEU 75 Ca 0.04 0.60 0.00 0.00 -0.00 0.00 0.00 56.01 56.65 2p0p n LEU 75 Cb 0.02 -0.51 0.00 0.00 -0.00 0.00 0.00 43.42 42.93 2p0p n LEU 75 CO 0.03 -0.38 0.00 2.29 -0.00 0.00 0.00 177.39 179.33 2p0p n LYS 76 N -2.02 2.52 -3.56 1.96 2.85 -1.22 -4.53 118.16 114.16 2p0p n LYS 76 Ca 0.03 0.00 -0.16 0.00 -1.05 0.00 0.00 58.31 57.14 2p0p n LYS 76 Cb 0.26 -0.35 -0.06 0.00 -0.65 0.00 0.00 35.03 34.23 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 -0.40 -0.52 -0.23 -5.58 2.15 -1.26 -4.99 116.67 105.85 2p0p s ASP 77 Ca 0.00 0.40 -0.25 0.00 0.43 0.00 0.00 52.55 53.13 2p0p s ASP 77 Cb 0.00 0.50 -0.01 0.00 -0.30 0.00 0.00 42.92 43.11 2p0p s ASP 77 CO 0.00 -0.65 0.84 -0.04 -0.17 0.00 0.00 175.17 175.15 2p0p s MET 78 N -1.81 4.21 0.14 4.34 -1.94 -1.26 -4.02 119.30 118.95 2p0p s MET 78 Ca -0.09 0.98 0.07 0.00 -1.71 0.00 0.00 55.69 54.95 2p0p s MET 78 Cb -0.01 -3.63 -0.04 0.00 2.01 0.00 0.00 34.83 33.16 2p0p s MET 78 CO 0.04 -0.49 -0.16 0.71 -0.01 0.00 0.00 175.02 175.10 2p0p s TYR 79 N 2.73 1.62 0.02 -0.03 2.02 -1.26 -1.11 117.35 121.34 2p0p s TYR 79 Ca 0.36 -0.51 0.02 0.00 -0.37 0.00 0.00 57.07 56.57 2p0p s TYR 79 Cb -0.15 -0.83 -0.01 0.00 -0.40 0.00 0.00 41.96 40.56 2p0p s TYR 79 CO 0.08 0.23 -0.05 0.14 -1.57 0.00 0.00 175.55 174.38 2p0p s VAL 80 N -2.03 0.39 0.33 0.71 -7.23 0.09 -1.07 120.40 111.59 2p0p s VAL 80 Ca 0.12 -0.57 -0.27 0.00 -1.81 0.00 0.00 61.98 59.45 2p0p s VAL 80 Cb -0.06 -0.40 -0.09 0.00 0.56 0.00 0.00 36.38 36.39 2p0p s VAL 80 CO 0.05 -0.13 1.07 -1.61 -0.31 0.00 0.00 175.10 174.17 2p0p s GLU 81 N -0.75 4.44 -0.09 4.82 2.02 0.11 -0.72 118.70 128.53 2p0p s GLU 81 Ca -0.04 1.67 -0.10 0.00 0.02 0.00 0.00 54.97 56.52 2p0p s GLU 81 Cb -0.05 -2.92 0.03 0.00 0.10 0.00 0.00 34.13 31.28 2p0p s GLU 81 CO -0.00 0.07 0.28 0.54 0.02 0.00 0.00 175.26 176.17 2p0p s VAL 82 N -1.37 0.01 -0.08 2.63 0.11 -0.30 -0.74 120.40 120.67 2p0p s VAL 82 Ca 0.50 -0.07 0.03 0.00 -2.93 0.00 0.00 61.98 59.50 2p0p s VAL 82 Cb -0.28 -0.42 -0.02 0.00 -1.53 0.00 0.00 36.38 34.13 2p0p s VAL 82 CO 0.35 -0.04 -0.16 0.00 -3.33 0.00 0.00 175.10 171.92 2p0p s ALA 83 N -0.05 2.56 -1.38 1.54 0.00 0.16 -0.45 121.76 124.14 2p0p s ALA 83 Ca -0.02 -0.96 -0.09 0.00 0.00 0.00 0.00 51.96 50.88 2p0p s ALA 83 Cb -0.03 -0.99 0.09 0.00 0.00 0.00 0.00 23.12 22.19 2p0p s ALA 83 CO 0.01 0.44 2.26 -3.47 0.00 0.00 0.00 175.76 174.99 2p0p n ASP 84 N 2.79 6.25 0.30 0.00 2.03 -1.21 -1.14 116.55 125.58 2p0p n ASP 84 Ca -0.17 -2.98 0.19 0.00 0.52 0.00 0.00 54.79 52.34 2p0p n ASP 84 Cb 0.52 -1.49 0.99 0.00 -0.72 0.00 0.00 41.12 40.42 2p0p n ASP 84 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 2p0p h ILE 85 N 3.36 0.14 -0.00 5.18 3.07 -1.84 0.22 117.51 127.63 2p0p h ILE 85 Ca 0.59 0.00 0.00 0.00 1.55 0.00 0.00 64.86 67.00 2p0p h ILE 85 Cb 0.49 0.85 0.00 0.00 -0.27 0.00 0.00 36.82 37.89 2p0p h ILE 85 CO 1.66 0.00 -0.09 0.61 -1.05 0.00 0.00 178.15 179.28 2p0p n GLY 86 N -1.21 -0.96 0.00 0.16 0.00 0.08 -4.66 105.19 98.60 2p0p n GLY 86 Ca -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 1.27 0.18 0.34 -0.02 0.00 -0.02 -4.82 105.19 102.11 2p0p n GLY 87 Ca 0.15 0.16 -0.00 0.00 0.00 0.00 0.00 46.02 46.33 2p0p n GLY 87 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2p0p h LYS 88 N 0.00 0.95 0.00 1.61 1.79 -1.72 -3.46 116.57 115.74 2p0p h LYS 88 Ca 0.00 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 2p0p h LYS 88 Cb 0.00 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 30.45 2p0p h LYS 88 CO 0.00 0.67 0.00 -3.47 -1.08 0.00 0.00 179.45 175.57 2p0p n ASP 89 N -4.39 0.00 -0.32 0.86 2.03 0.57 -4.37 116.55 110.93 2p0p n ASP 89 Ca 0.07 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.41 2p0p n ASP 89 Cb 0.07 -0.16 0.07 0.00 -0.72 0.00 0.00 41.12 40.38 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 2.40 -4.21 1.67 2.03 -1.26 -4.74 116.55 112.44 2p0p n ASP 90 Ca 0.00 -1.95 -0.12 0.00 0.52 0.00 0.00 54.79 53.24 2p0p n ASP 90 Cb 0.00 -0.11 -0.10 0.00 -0.72 0.00 0.00 41.12 40.19 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 -0.96 1.06 0.04 1.67 2.15 -1.26 -5.12 116.67 114.25 2p0p s ASP 91 Ca 0.11 -1.14 0.04 0.00 0.43 0.00 0.00 52.55 51.99 2p0p s ASP 91 Cb 0.06 0.14 -0.02 0.00 -0.30 0.00 0.00 42.92 42.80 2p0p s ASP 91 CO 0.08 -0.57 -0.11 -0.69 -0.17 0.00 0.00 175.17 173.71 2p0p s VAL 92 N -3.71 0.84 0.00 1.11 1.01 -1.26 -3.32 120.40 115.06 2p0p s VAL 92 Ca 0.21 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.21 2p0p s VAL 92 Cb 0.06 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.63 2p0p s VAL 92 CO 0.02 -0.15 0.00 -1.22 0.00 0.00 0.00 175.10 173.75 2p0p n TYR 93 N 1.77 0.00 -4.64 5.22 4.01 0.41 -4.99 117.16 118.94 2p0p n TYR 93 Ca -0.19 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.27 2p0p n TYR 93 Cb 0.55 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.44 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 -1.81 1.89 0.11 -0.72 2.01 -1.26 -1.15 115.64 114.71 2p0p s THR 94 Ca 0.00 -1.37 0.06 0.00 0.31 0.00 0.00 61.69 60.68 2p0p s THR 94 Cb 0.00 -1.65 -0.04 0.00 0.01 0.00 0.00 72.50 70.83 2p0p s THR 94 CO 0.00 0.20 -0.14 0.00 -0.69 0.00 0.00 174.62 173.99 2p0p s ALA 95 N -0.88 1.42 0.03 7.40 0.00 0.10 -4.92 121.76 124.92 2p0p s ALA 95 Ca 0.09 -1.23 -0.30 0.00 0.00 0.00 0.00 51.96 50.52 2p0p s ALA 95 Cb -0.09 -0.08 -0.05 0.00 0.00 0.00 0.00 23.12 22.89 2p0p s ALA 95 CO 0.03 0.11 1.25 0.15 0.00 0.00 0.00 175.76 177.30 2p0p s LYS 96 N -2.49 4.38 0.41 0.00 1.02 -1.26 -0.73 119.74 121.07 2p0p s LYS 96 Ca 0.07 1.81 0.08 0.00 0.02 0.00 0.00 55.97 57.94 2p0p s LYS 96 Cb -0.06 -3.42 0.88 0.00 -0.52 0.00 0.00 37.83 34.71 2p0p s LYS 96 CO 0.03 -0.37 2.06 1.25 -0.92 0.00 0.00 175.35 177.40 2p0p h LEU 97 N 7.36 0.46 -1.52 3.17 5.85 -1.44 -1.28 115.31 127.90 2p0p h LEU 97 Ca -0.39 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.32 2p0p h LEU 97 Cb 1.20 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.11 2p0p h LEU 97 CO 0.85 0.33 0.26 0.28 -0.34 0.00 0.00 178.44 179.81 2p0p h SER 98 N 0.54 0.00 -0.14 1.25 0.02 -1.92 -2.55 113.55 110.74 2p0p h SER 98 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 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 -0.04 0.00 0.00 -0.67 -1.14 0.00 0.00 176.83 174.98 2p0p n ASP 99 N -2.47 2.53 -4.41 3.07 2.03 -0.48 -5.00 116.55 111.80 2p0p n ASP 99 Ca -0.02 -2.21 -0.27 0.00 0.52 0.00 0.00 54.79 52.82 2p0p n ASP 99 Cb 0.29 -0.18 -0.12 0.00 -0.72 0.00 0.00 41.12 40.40 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 -1.37 2.31 -0.20 5.18 1.01 -0.96 -1.41 121.20 125.76 2p0p s ILE 100 Ca 0.15 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 58.80 2p0p s ILE 100 Cb 0.10 -2.10 0.02 0.00 0.01 0.00 0.00 42.46 40.50 2p0p s ILE 100 CO 0.07 -0.11 -0.16 -0.70 0.00 0.00 0.00 174.94 174.04 2p0p s GLU 101 N -2.62 2.97 0.25 2.79 2.12 -0.23 -4.93 118.70 119.05 2p0p s GLU 101 Ca 0.20 -0.85 -0.30 0.00 0.36 0.00 0.00 54.97 54.38 2p0p s GLU 101 Cb -0.08 -2.70 -0.09 0.00 0.26 0.00 0.00 34.13 31.52 2p0p s GLU 101 CO 0.09 -0.25 1.04 0.00 -0.54 0.00 0.00 175.26 175.60 2p0p s ALA 102 N 1.31 3.38 0.02 6.30 0.00 -1.26 -0.60 121.76 130.89 2p0p s ALA 102 Ca 0.04 0.78 0.05 0.00 0.00 0.00 0.00 51.96 52.82 2p0p s ALA 102 Cb -0.14 -3.29 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 2p0p s ALA 102 CO -0.10 -0.03 -0.14 0.42 0.00 0.00 0.00 175.76 175.91 2p0p s ILE 103 N -1.03 1.12 -1.39 0.00 1.01 -0.25 -4.86 121.20 115.80 2p0p s ILE 103 Ca 0.44 -0.82 -0.09 0.00 0.00 0.00 0.00 60.65 60.18 2p0p s ILE 103 Cb -0.29 -0.98 0.06 0.00 0.01 0.00 0.00 42.46 41.26 2p0p s ILE 103 CO 0.37 0.15 0.58 -0.67 0.00 0.00 0.00 174.94 175.37 2p0p n ASP 104 N 2.27 -4.48 -4.83 3.58 2.03 -1.26 -3.92 116.55 109.95 2p0p n ASP 104 Ca -0.16 -0.41 -0.22 0.00 0.52 0.00 0.00 54.79 54.51 2p0p n ASP 104 Cb 0.55 -3.66 -0.04 0.00 -0.72 0.00 0.00 41.12 37.25 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 -3.04 2.73 0.62 5.18 0.11 -1.26 -4.86 120.40 119.89 2p0p s VAL 105 Ca 0.41 -1.46 -0.17 0.00 -2.93 0.00 0.00 61.98 57.83 2p0p s VAL 105 Cb -0.21 -3.02 -0.02 0.00 -1.53 0.00 0.00 36.38 31.60 2p0p s VAL 105 CO 0.51 -0.04 1.18 -0.62 -3.33 0.00 0.00 175.10 172.79 2p0p s ASP 106 N -4.04 5.06 0.25 3.54 2.15 -1.26 -4.80 116.67 117.57 2p0p s ASP 106 Ca 0.45 2.28 -0.04 0.00 0.43 0.00 0.00 52.55 55.67 2p0p s ASP 106 Cb -0.02 -2.59 0.41 0.00 -0.30 0.00 0.00 42.92 40.42 2p0p s ASP 106 CO 0.26 -1.68 1.82 -0.78 -0.17 0.00 0.00 175.17 174.63 2p0p h ASP 107 N 0.55 0.75 0.77 -0.34 3.58 -1.99 -0.07 116.42 119.66 2p0p h ASP 107 Ca -0.49 0.04 -0.13 0.00 0.42 0.00 0.00 57.03 56.87 2p0p h ASP 107 Cb 1.28 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 42.21 2p0p h ASP 107 CO 0.54 0.43 -0.60 -0.78 -2.88 0.00 0.00 179.24 175.95 2p0p h ASP 108 N 0.86 0.00 0.03 2.28 3.58 -1.93 0.37 116.42 121.61 2p0p h ASP 108 Ca 0.41 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.86 2p0p h ASP 108 Cb 0.34 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.40 2p0p h ASP 108 CO -0.24 0.60 -0.02 0.74 -2.88 0.00 0.00 179.24 177.45 2p0p h THR 109 N 0.00 1.31 -0.48 2.25 2.02 -1.58 -2.19 112.91 114.24 2p0p h THR 109 Ca -0.01 -1.11 0.03 0.00 0.77 0.00 0.00 66.41 66.09 2p0p h THR 109 Cb 1.14 2.04 -0.03 0.00 -1.74 0.00 0.00 68.15 69.56 2p0p h THR 109 CO 0.08 0.28 0.28 -0.61 0.37 0.00 0.00 175.52 175.92 2p0p h GLN 110 N -0.53 0.54 -0.59 6.66 -0.00 -0.81 -1.71 115.11 118.67 2p0p h GLN 110 Ca -0.00 -0.03 -0.06 0.00 -0.00 0.00 0.00 58.65 58.55 2p0p h GLN 110 Cb 0.49 -0.12 -0.03 0.00 0.00 0.00 0.00 27.48 27.82 2p0p h GLN 110 CO 0.01 0.36 0.13 0.93 0.00 0.00 0.00 178.83 180.26 2p0p h GLU 111 N 0.56 0.92 -0.52 1.69 4.39 -0.99 0.77 114.58 121.40 2p0p h GLU 111 Ca 0.20 -0.20 -0.05 0.00 0.34 0.00 0.00 59.36 59.64 2p0p h GLU 111 Cb 0.04 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.54 2p0p h GLU 111 CO -0.10 0.83 0.12 0.00 -1.16 0.00 0.00 179.01 178.70 2p0p h ALA 112 N 1.26 0.68 -0.31 3.43 0.00 -0.81 0.26 119.26 123.78 2p0p h ALA 112 Ca 0.19 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2p0p h ALA 112 Cb 0.33 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2p0p h ALA 112 CO 0.00 0.39 -0.12 0.82 0.00 0.00 0.00 179.25 180.34 2p0p h ILE 113 N 0.72 1.29 -0.73 0.00 2.04 -0.99 -1.47 117.51 118.37 2p0p h ILE 113 Ca 0.16 -1.20 0.01 0.00 1.00 0.00 0.00 64.86 64.83 2p0p h ILE 113 Cb 0.35 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.81 2p0p h ILE 113 CO 0.00 0.38 0.48 0.00 0.00 0.00 0.00 178.15 179.02 2p0p h ALA 114 N 0.77 0.93 -0.33 1.87 0.00 -0.72 -1.20 119.26 120.58 2p0p h ALA 114 Ca 0.07 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 2p0p h ALA 114 Cb 0.63 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2p0p h ALA 114 CO 0.04 0.33 -0.20 0.22 0.00 0.00 0.00 179.25 179.64 2p0p h ASP 115 N 0.98 0.61 -0.33 0.00 3.58 -0.77 0.41 116.42 120.90 2p0p h ASP 115 Ca 0.27 -0.20 -0.00 0.00 0.42 0.00 0.00 57.03 57.52 2p0p h ASP 115 Cb -0.10 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 40.77 2p0p h ASP 115 CO -0.06 0.81 0.19 -0.25 -2.88 0.00 0.00 179.24 177.05 2p0p h TRP 116 N 0.54 0.44 -0.37 0.28 2.91 -0.88 0.39 115.95 119.27 2p0p h TRP 116 Ca 0.08 -0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.08 2p0p h TRP 116 Cb 0.64 -0.14 -0.02 0.00 -0.51 0.00 0.00 29.16 29.13 2p0p h TRP 116 CO 0.03 0.33 0.17 -0.07 -1.03 0.00 0.00 178.44 177.87 2p0p h LEU 117 N 0.42 0.49 -0.78 0.65 3.38 -0.65 -0.13 115.31 118.70 2p0p h LEU 117 Ca 0.12 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 2p0p h LEU 117 Cb 0.03 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2p0p h LEU 117 CO -0.02 0.50 0.08 1.88 0.09 0.00 0.00 178.44 180.97 2p0p h TYR 118 N 0.45 1.07 -0.44 1.13 0.05 -0.87 -1.59 116.97 116.77 2p0p h TYR 118 Ca 0.13 -0.14 0.01 0.00 0.05 0.00 0.00 58.73 58.77 2p0p h TYR 118 Cb 0.14 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 37.56 2p0p h TYR 118 CO -0.01 0.92 0.29 2.35 -1.05 0.00 0.00 178.16 180.65 2p0p h TRP 119 N 0.95 0.55 -0.53 4.88 2.91 -0.57 0.69 115.95 124.83 2p0p h TRP 119 Ca 0.19 0.01 -0.05 0.00 1.13 0.00 0.00 58.89 60.17 2p0p h TRP 119 Cb 0.43 -0.19 -0.02 0.00 -0.51 0.00 0.00 29.16 28.88 2p0p h TRP 119 CO 0.03 0.34 0.14 1.25 -1.03 0.00 0.00 178.44 179.17 2p0p h LEU 120 N 0.59 0.79 -0.81 0.65 5.85 -0.67 -0.99 115.31 120.72 2p0p h LEU 120 Ca 0.16 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 2p0p h LEU 120 Cb -0.06 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.72 2p0p h LEU 120 CO -0.04 0.81 0.37 0.00 -0.34 0.00 0.00 178.44 179.24 2p0p h ALA 121 N 1.01 1.05 0.00 1.25 0.00 -1.18 -2.52 119.26 118.87 2p0p h ALA 121 Ca 0.17 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2p0p h ALA 121 Cb 0.32 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2p0p h ALA 121 CO -0.00 0.63 -0.13 -0.09 0.00 0.00 0.00 179.25 179.67 2p0p h ARG 122 N 1.16 0.00 0.00 0.00 2.43 -0.13 0.28 114.38 118.12 2p0p h ARG 122 Ca 0.28 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 2p0p h ARG 122 Cb 0.15 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 2p0p h ARG 122 CO -0.03 0.13 0.00 0.41 -1.51 0.00 0.00 179.97 178.97 2p0p n GLY 123 N -0.88 3.89 3.53 2.80 0.00 -0.45 -4.39 105.19 109.71 2p0p n GLY 123 Ca -0.02 -0.47 -0.36 0.00 0.00 0.00 0.00 46.02 45.17 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 3.58 0.00 1.61 9.36 -1.23 -4.51 117.16 125.97 2p0p n TYR 124 Ca 0.00 -2.14 0.00 0.00 3.32 0.00 0.00 57.90 59.08 2p0p n TYR 124 Cb 0.00 -2.59 0.00 0.00 -0.63 0.00 0.00 39.34 36.12 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 8.20 2.40 0.00 2.98 5.02 -1.26 -5.18 118.16 130.32 2p0p n LYS 125 Ca 0.47 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 2p0p n LYS 125 Cb 0.46 -0.94 0.00 0.00 -0.02 0.00 0.00 35.03 34.53 2p0p n LYS 125 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07