#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 0.00 3.04 0.00 -1.92 -1.92 119.26 119.46 2p0p h ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2p0p h ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2p0p h ALA 2 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.68 2p0p n SER 3 N -2.40 0.00 -4.47 0.00 7.64 -1.26 -4.44 113.62 108.70 2p0p n SER 3 Ca -0.01 0.21 -0.45 0.00 1.01 0.00 0.00 58.87 59.62 2p0p n SER 3 Cb 0.08 -0.33 -0.09 0.00 -1.01 0.00 0.00 64.21 62.86 2p0p n SER 3 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 2p0p n VAL 4 N -1.33 0.05 -2.19 0.44 3.14 -0.72 -1.47 118.33 116.23 2p0p n VAL 4 Ca 0.05 -0.28 -0.13 0.00 -2.96 0.00 0.00 64.34 61.02 2p0p n VAL 4 Cb 0.10 -1.44 -0.02 0.00 -1.06 0.00 0.00 33.84 31.42 2p0p n VAL 4 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2p0p n GLU 5 N 8.41 -1.97 0.00 1.45 1.02 -1.26 -4.84 120.64 123.45 2p0p n GLU 5 Ca 0.49 0.68 0.00 0.00 -0.02 0.00 0.00 57.16 58.31 2p0p n GLU 5 Cb 0.21 -5.20 0.02 0.00 -0.02 0.00 0.00 31.44 26.45 2p0p n GLU 5 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 2p0p n ARG 6 N -2.61 0.40 -1.71 3.49 1.85 -0.54 -4.56 116.66 112.98 2p0p n ARG 6 Ca -0.15 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.30 2p0p n ARG 6 Cb 0.58 -1.02 0.02 0.00 -1.05 0.00 0.00 32.46 30.98 2p0p n ARG 6 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 2p0p n ASP 7 N -0.52 2.53 0.20 2.89 -0.08 -1.26 -4.86 116.55 115.44 2p0p n ASP 7 Ca 0.00 1.07 0.17 0.00 -1.51 0.00 0.00 54.79 54.53 2p0p n ASP 7 Cb 0.00 -1.51 0.82 0.00 2.34 0.00 0.00 41.12 42.77 2p0p n ASP 7 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2p0p h GLU 8 N 1.91 0.00 -0.93 -0.67 5.08 -2.00 -0.94 114.58 117.02 2p0p h GLU 8 Ca -0.49 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.87 2p0p h GLU 8 Cb 1.30 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.50 2p0p h GLU 8 CO 0.59 0.00 0.55 0.00 -1.00 0.00 0.00 179.01 179.15 2p0p h THR 9 N 0.00 1.26 -0.29 1.13 1.03 -1.92 -0.07 112.91 114.05 2p0p h THR 9 Ca 0.09 -0.58 -0.04 0.00 -0.01 0.00 0.00 66.41 65.88 2p0p h THR 9 Cb 0.51 -0.05 -0.01 0.00 -1.07 0.00 0.00 68.15 67.52 2p0p h THR 9 CO -0.00 0.28 0.04 -0.09 -0.01 0.00 0.00 175.52 175.73 2p0p h ARG 10 N 1.29 0.49 -0.71 0.00 2.43 -1.41 -0.00 114.38 116.47 2p0p h ARG 10 Ca 0.33 -0.14 -0.00 0.00 -0.81 0.00 0.00 59.98 59.37 2p0p h ARG 10 Cb -0.04 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 2p0p h ARG 10 CO -0.06 0.60 0.43 0.93 -1.51 0.00 0.00 179.97 180.37 2p0p h GLU 11 N 0.30 0.96 0.16 0.20 4.39 -1.45 0.04 114.58 119.17 2p0p h GLU 11 Ca 0.09 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 2p0p h GLU 11 Cb 0.36 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2p0p h GLU 11 CO 0.01 0.67 -0.08 1.25 -1.16 0.00 0.00 179.01 179.70 2p0p h HIS 12 N 0.96 -0.20 -0.23 4.33 -0.00 -0.90 -2.76 115.15 116.36 2p0p h HIS 12 Ca 0.25 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.60 2p0p h HIS 12 Cb -0.05 0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.42 2p0p h HIS 12 CO -0.01 -0.05 0.07 0.00 -0.00 0.00 0.00 177.93 177.94 2p0p h ARG 13 N -0.31 0.36 -0.78 5.26 3.08 -0.53 -0.71 114.38 120.75 2p0p h ARG 13 Ca -0.02 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 2p0p h ARG 13 Cb 0.24 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.21 2p0p h ARG 13 CO 0.04 0.45 0.46 0.97 -1.07 0.00 0.00 179.97 180.82 2p0p h ILE 14 N 0.20 1.22 -0.11 2.04 2.10 -1.07 -0.25 117.51 121.65 2p0p h ILE 14 Ca 0.07 -0.50 -0.00 0.00 1.08 0.00 0.00 64.86 65.51 2p0p h ILE 14 Cb 0.24 0.14 -0.01 0.00 -1.09 0.00 0.00 36.82 36.11 2p0p h ILE 14 CO -0.00 0.24 0.07 -0.08 -1.08 0.00 0.00 178.15 177.30 2p0p h GLU 15 N 1.07 0.15 -0.52 2.19 4.57 -1.31 -1.43 114.58 119.30 2p0p h GLU 15 Ca 0.28 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.45 2p0p h GLU 15 Cb -0.02 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.53 2p0p h GLU 15 CO -0.05 0.13 0.00 0.25 -1.18 0.00 0.00 179.01 178.16 2p0p n THR 16 N -4.99 0.83 0.00 0.32 -2.24 -0.29 -3.36 114.28 104.55 2p0p n THR 16 Ca -0.05 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 2p0p n THR 16 Cb 0.04 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 2p0p n THR 16 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2p0p n GLU 17 N 0.56 0.00 0.04 -0.78 2.13 -0.18 -4.83 120.64 117.57 2p0p n GLU 17 Ca 0.14 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.91 2p0p n GLU 17 Cb 0.47 -0.23 -0.10 0.00 0.27 0.00 0.00 31.44 31.85 2p0p n GLU 17 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 2p0p h ILE 18 N 0.00 1.04 0.00 6.31 1.08 -1.44 -3.39 117.51 121.10 2p0p h ILE 18 Ca 0.00 -2.70 -0.03 0.00 -0.39 0.00 0.00 64.86 61.74 2p0p h ILE 18 Cb 0.20 2.47 -0.06 0.00 -3.07 0.00 0.00 36.82 36.36 2p0p h ILE 18 CO 0.00 0.59 -0.51 2.30 -0.69 0.00 0.00 178.15 179.84 2p0p n ILE 19 N -3.13 0.41 -0.13 -0.67 -5.35 -1.24 -4.09 119.36 105.16 2p0p n ILE 19 Ca -0.08 -0.68 0.10 0.00 -0.27 0.00 0.00 62.75 61.83 2p0p n ILE 19 Cb 0.93 0.43 0.45 0.00 -1.74 0.00 0.00 39.64 39.71 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 5.59 0.93 -0.04 7.28 -1.51 -1.76 -2.85 116.25 123.88 2p0p h VAL 20 Ca -0.04 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 65.25 2p0p h VAL 20 Cb 1.40 0.35 0.00 0.00 -2.13 0.00 0.00 31.29 30.91 2p0p h VAL 20 CO 0.02 0.10 0.00 -0.67 -1.23 0.00 0.00 177.57 175.78 2p0p n ASP 21 N -4.48 0.76 -4.00 4.19 2.03 -1.26 -4.88 116.55 108.90 2p0p n ASP 21 Ca 0.11 -1.37 -0.08 0.00 0.52 0.00 0.00 54.79 53.96 2p0p n ASP 21 Cb 0.34 -0.02 -0.10 0.00 -0.72 0.00 0.00 41.12 40.62 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 -1.96 0.19 0.00 -1.67 0.00 -1.08 -5.04 121.76 112.20 2p0p s ALA 22 Ca 0.38 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.53 2p0p s ALA 22 Cb 0.19 0.24 0.00 0.00 0.00 0.00 0.00 23.12 23.55 2p0p s ALA 22 CO 0.31 -0.30 0.10 -0.85 0.00 0.00 0.00 175.76 175.01 2p0p n GLU 23 N 0.70 0.00 -4.39 0.00 0.28 -1.26 -4.87 120.64 111.10 2p0p n GLU 23 Ca -0.18 -0.10 -0.21 0.00 -0.16 0.00 0.00 57.16 56.51 2p0p n GLU 23 Cb 0.59 -0.48 -0.13 0.00 1.43 0.00 0.00 31.44 32.85 2p0p n GLU 23 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2p0p s ASP 24 N 0.00 1.76 0.40 -1.84 -1.08 -1.26 -5.03 116.67 109.62 2p0p s ASP 24 Ca 0.00 -0.47 0.17 0.00 -0.52 0.00 0.00 52.55 51.73 2p0p s ASP 24 Cb 0.00 -0.12 1.05 0.00 -1.46 0.00 0.00 42.92 42.40 2p0p s ASP 24 CO 0.00 0.05 1.81 0.07 0.52 0.00 0.00 175.17 177.62 2p0p h LYS 25 N 4.92 0.43 -0.13 4.34 -0.00 -1.97 0.18 116.57 124.33 2p0p h LYS 25 Ca -0.39 -0.03 -0.13 0.00 -0.00 0.00 0.00 60.65 60.11 2p0p h LYS 25 Cb 1.18 -0.10 0.00 0.00 -0.00 0.00 0.00 32.23 33.31 2p0p h LYS 25 CO 0.44 0.29 -0.41 0.93 -0.00 0.00 0.00 179.45 180.70 2p0p h GLU 26 N 0.44 0.51 -0.28 0.07 5.08 -1.98 -0.84 114.58 117.58 2p0p h GLU 26 Ca 0.54 -0.37 -0.09 0.00 -1.00 0.00 0.00 59.36 58.44 2p0p h GLU 26 Cb 1.30 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 2p0p h GLU 26 CO -0.25 0.99 -0.19 0.93 -1.00 0.00 0.00 179.01 179.49 2p0p h GLU 27 N 0.12 0.50 -0.02 2.33 4.39 -1.59 -1.91 114.58 118.40 2p0p h GLU 27 Ca -0.01 -0.17 -0.15 0.00 0.34 0.00 0.00 59.36 59.37 2p0p h GLU 27 Cb 1.03 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.62 2p0p h GLU 27 CO 0.09 0.67 -0.67 0.00 -1.16 0.00 0.00 179.01 177.94 2p0p h ARG 28 N 0.45 0.11 -0.61 2.33 3.08 -0.64 0.02 114.38 119.13 2p0p h ARG 28 Ca 0.07 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 2p0p h ARG 28 Cb 0.59 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.63 2p0p h ARG 28 CO 0.04 0.74 0.22 0.00 -1.07 0.00 0.00 179.97 179.91 2p0p h ALA 29 N 1.23 1.24 -0.47 0.04 0.00 -0.73 -1.12 119.26 119.45 2p0p h ALA 29 Ca -0.01 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 2p0p h ALA 29 Cb 1.20 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2p0p h ALA 29 CO 0.10 0.55 -0.10 0.52 0.00 0.00 0.00 179.25 180.31 2p0p h MET 30 N 0.89 0.85 -0.00 0.00 2.86 -0.81 -0.02 114.93 118.69 2p0p h MET 30 Ca 0.21 -0.29 0.03 0.00 -2.06 0.00 0.00 59.70 57.58 2p0p h MET 30 Cb 0.21 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.76 2p0p h MET 30 CO -0.01 0.91 -0.18 0.78 1.06 0.00 0.00 176.91 179.47 2p0p h GLY 31 N 0.97 -0.25 0.45 8.32 0.00 -0.37 0.17 103.07 112.36 2p0p h GLY 31 Ca 0.13 0.22 0.06 0.00 0.00 0.00 0.00 47.33 47.74 2p0p h GLY 31 CO 0.04 -0.17 0.02 1.49 0.00 0.00 0.00 176.54 177.92 2p0p h TRP 32 N -0.30 0.02 -0.33 5.60 4.06 -1.14 -2.57 115.95 121.30 2p0p h TRP 32 Ca 0.06 0.03 0.04 0.00 2.06 0.00 0.00 58.89 61.07 2p0p h TRP 32 Cb 0.37 0.05 -0.03 0.00 -1.00 0.00 0.00 29.16 28.54 2p0p h TRP 32 CO -0.23 -0.05 0.12 -0.92 -3.56 0.00 0.00 178.44 173.80 2p0p h TYR 33 N 0.13 0.22 0.23 0.49 5.03 -0.41 -2.30 116.97 120.35 2p0p h TYR 33 Ca 0.18 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.50 2p0p h TYR 33 Cb 0.24 -0.05 0.00 0.00 1.55 0.00 0.00 36.73 38.47 2p0p h TYR 33 CO -0.24 0.10 -0.11 1.88 -1.32 0.00 0.00 178.16 178.47 2p0p h TYR 34 N 0.27 -0.28 -0.28 -3.82 0.05 -0.28 0.87 116.97 113.50 2p0p h TYR 34 Ca 0.15 -0.01 -0.14 0.00 0.05 0.00 0.00 58.73 58.78 2p0p h TYR 34 Cb 0.11 0.09 -0.01 0.00 1.01 0.00 0.00 36.73 37.93 2p0p h TYR 34 CO -0.13 -0.09 -0.40 0.10 -1.05 0.00 0.00 178.16 176.59 2p0p h TYR 35 N -0.42 0.79 -0.05 4.88 -0.00 -1.55 -2.53 116.97 118.09 2p0p h TYR 35 Ca -0.03 -0.23 -0.01 0.00 -0.00 0.00 0.00 58.73 58.46 2p0p h TYR 35 Cb 0.32 -0.17 -0.00 0.00 -0.00 0.00 0.00 36.73 36.88 2p0p h TYR 35 CO -0.03 0.96 0.01 1.25 -0.00 0.00 0.00 178.16 180.34 2p0p h LEU 36 N 0.54 0.08 -1.15 0.10 5.85 -1.15 -1.16 115.31 118.43 2p0p h LEU 36 Ca 0.05 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.49 2p0p h LEU 36 Cb 0.93 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.89 2p0p h LEU 36 CO 0.08 0.34 0.55 -0.78 -0.34 0.00 0.00 178.44 178.29 2p0p h ASP 37 N -0.17 0.98 0.64 1.25 3.58 -0.86 0.78 116.42 122.62 2p0p h ASP 37 Ca 0.02 -0.03 -0.05 0.00 0.42 0.00 0.00 57.03 57.39 2p0p h ASP 37 Cb 0.29 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 2p0p h ASP 37 CO 0.00 0.72 -0.22 -0.78 -2.88 0.00 0.00 179.24 176.08 2p0p h ASP 38 N 1.15 0.00 0.11 2.28 3.58 -1.24 -3.31 116.42 118.99 2p0p h ASP 38 Ca 0.31 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 57.39 2p0p h ASP 38 Cb -0.11 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 40.89 2p0p h ASP 38 CO -0.06 0.22 -2.20 0.41 -2.88 0.00 0.00 179.24 174.73 2p0p n THR 39 N -3.57 1.58 -1.72 2.25 -1.04 -0.41 -4.86 114.28 106.51 2p0p n THR 39 Ca -0.01 -0.69 -0.42 0.00 -2.04 0.00 0.00 64.05 60.89 2p0p n THR 39 Cb 0.36 -1.27 -0.03 0.00 -1.82 0.00 0.00 70.33 67.57 2p0p n THR 39 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2p0p s LEU 40 N -6.41 4.24 -0.43 -4.42 1.43 0.13 -4.34 118.68 108.88 2p0p s LEU 40 Ca -0.22 2.45 -0.06 0.00 -1.03 0.00 0.00 54.13 55.28 2p0p s LEU 40 Cb 0.08 -3.53 -0.12 0.00 0.03 0.00 0.00 46.19 42.65 2p0p s LEU 40 CO 0.73 -1.20 3.20 -0.62 0.23 0.00 0.00 176.35 178.69 2p0p n GLU 41 N 7.70 2.52 -0.99 1.70 1.02 -1.26 -4.94 120.64 126.39 2p0p n GLU 41 Ca 0.21 -1.73 -0.32 0.00 -0.02 0.00 0.00 57.16 55.30 2p0p n GLU 41 Cb 0.42 -2.19 0.14 0.00 -0.02 0.00 0.00 31.44 29.79 2p0p n GLU 41 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 2p0p s PHE 42 N 0.16 1.84 0.71 -0.32 -0.12 -1.26 -4.57 117.98 114.42 2p0p s PHE 42 Ca 0.64 1.71 -0.13 0.00 -0.05 0.00 0.00 56.93 59.10 2p0p s PHE 42 Cb 0.31 -3.36 0.03 0.00 -0.63 0.00 0.00 43.02 39.37 2p0p s PHE 42 CO -0.08 -2.67 1.11 -1.25 -0.05 0.00 0.00 175.22 172.28 2p0p s PRO 43 N -4.43 2.50 0.01 1.99 0.04 -1.26 -5.03 135.00 128.82 2p0p s PRO 43 Ca 0.69 1.35 0.00 0.00 0.04 0.00 0.00 61.00 63.08 2p0p s PRO 43 Cb -0.24 -1.91 -0.00 0.00 0.04 0.00 0.00 34.50 32.38 2p0p s PRO 43 CO 0.54 -1.48 0.02 1.97 0.04 0.00 0.00 177.00 178.08 2p0p n PHE 44 N -2.88 -0.21 -4.37 0.56 -1.74 -0.32 -5.01 117.46 103.50 2p0p n PHE 44 Ca 0.10 -0.11 -0.18 0.00 -0.56 0.00 0.00 57.45 56.70 2p0p n PHE 44 Cb 0.52 0.02 -0.10 0.00 1.52 0.00 0.00 39.48 41.43 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 -2.05 1.51 0.13 3.97 0.23 -1.24 -0.23 119.30 121.62 2p0p s MET 45 Ca 0.01 -1.83 -0.16 0.00 -1.03 0.00 0.00 55.69 52.69 2p0p s MET 45 Cb 0.00 -0.47 0.06 0.00 -1.53 0.00 0.00 34.83 32.89 2p0p s MET 45 CO 0.01 -0.27 0.78 0.41 -2.03 0.00 0.00 175.02 173.93 2p0p n GLY 46 N -0.55 0.75 3.14 3.16 0.00 -0.06 -0.97 105.19 110.66 2p0p n GLY 46 Ca -0.01 -1.09 -0.33 0.00 0.00 0.00 0.00 46.02 44.59 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 2.95 -0.47 1.61 2.47 0.30 -0.93 119.74 123.64 2p0p s LYS 47 Ca 0.17 -0.87 -0.29 0.00 -1.56 0.00 0.00 55.97 53.43 2p0p s LYS 47 Cb -0.02 -2.67 0.02 0.00 -1.46 0.00 0.00 37.83 33.70 2p0p s LYS 47 CO 0.04 -0.25 1.30 -0.46 0.16 0.00 0.00 175.35 176.14 2p0p s TRP 48 N 1.29 2.54 -0.85 4.03 -0.11 0.36 -0.94 118.94 125.26 2p0p s TRP 48 Ca 0.04 0.64 -0.08 0.00 1.22 0.00 0.00 56.10 57.92 2p0p s TRP 48 Cb -0.14 -4.39 -0.15 0.00 -1.50 0.00 0.00 33.47 27.29 2p0p s TRP 48 CO -0.11 -1.71 3.02 1.63 -4.62 0.00 0.00 176.95 175.15 2p0p n LYS 49 N 8.11 2.70 -1.88 5.86 4.76 -0.91 -1.49 118.16 135.30 2p0p n LYS 49 Ca 0.14 -1.56 -0.42 0.00 -2.87 0.00 0.00 58.31 53.60 2p0p n LYS 49 Cb 0.49 -2.40 -0.02 0.00 -1.84 0.00 0.00 35.03 31.26 2p0p n LYS 49 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2p0p s LYS 50 N 1.91 4.19 0.50 1.97 2.20 -0.24 -4.73 119.74 125.55 2p0p s LYS 50 Ca 0.62 2.44 -0.17 0.00 -0.36 0.00 0.00 55.97 58.50 2p0p s LYS 50 Cb 0.22 -3.09 -0.08 0.00 -1.51 0.00 0.00 37.83 33.37 2p0p s LYS 50 CO -0.03 -0.57 0.99 0.15 -0.36 0.00 0.00 175.35 175.52 2p0p s LYS 51 N 0.13 3.95 0.64 4.03 3.01 -1.26 -0.39 119.74 129.85 2p0p s LYS 51 Ca 0.65 1.02 -0.11 0.00 -1.01 0.00 0.00 55.97 56.52 2p0p s LYS 51 Cb -0.45 -2.13 0.16 0.00 -1.01 0.00 0.00 37.83 34.39 2p0p s LYS 51 CO 0.41 -0.27 0.60 -1.13 0.51 0.00 0.00 175.35 175.46 2p0p n SER 52 N -1.43 -1.41 -3.46 2.83 3.41 0.21 -4.82 113.62 108.95 2p0p n SER 52 Ca 0.07 -0.90 -0.40 0.00 -0.26 0.00 0.00 58.87 57.38 2p0p n SER 52 Cb 0.54 -0.54 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 2p0p n SER 52 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2p0p n ARG 53 N -3.20 3.48 -3.84 4.33 3.00 -1.26 -4.29 116.66 114.88 2p0p n ARG 53 Ca 0.08 -2.42 -0.25 0.00 -0.01 0.00 0.00 57.85 55.25 2p0p n ARG 53 Cb 0.31 -2.95 0.01 0.00 0.00 0.00 0.00 32.46 29.84 2p0p n ARG 53 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2p0p n LYS 54 N 4.29 -4.56 -0.44 5.56 4.81 -1.26 -4.91 118.16 121.65 2p0p n LYS 54 Ca 0.69 0.55 0.06 0.00 -0.87 0.00 0.00 58.31 58.73 2p0p n LYS 54 Cb 0.28 -5.08 0.09 0.00 0.02 0.00 0.00 35.03 30.34 2p0p n LYS 54 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2p0p n THR 55 N -4.40 1.13 -3.80 3.15 -2.24 -1.26 -5.03 114.28 101.83 2p0p n THR 55 Ca -0.21 -1.54 -0.30 0.00 -2.27 0.00 0.00 64.05 59.73 2p0p n THR 55 Cb 0.64 0.13 -0.01 0.00 -2.10 0.00 0.00 70.33 68.99 2p0p n THR 55 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2p0p n SER 56 N -0.73 -3.71 -4.32 3.42 7.64 -1.26 -4.95 113.62 109.72 2p0p n SER 56 Ca 0.10 -0.70 -0.17 0.00 1.01 0.00 0.00 58.87 59.11 2p0p n SER 56 Cb 0.72 -3.04 -0.10 0.00 -1.01 0.00 0.00 64.21 60.78 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 -3.12 1.22 0.00 0.44 2.01 -1.26 -5.02 115.64 109.92 2p0p s THR 57 Ca 0.59 -2.07 0.04 0.00 0.31 0.00 0.00 61.69 60.56 2p0p s THR 57 Cb -0.31 -2.18 -0.01 0.00 0.01 0.00 0.00 72.50 70.00 2p0p s THR 57 CO 0.72 -0.47 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.42 2p0p s ILE 58 N -3.30 1.02 0.09 1.82 1.01 -1.26 -0.62 121.20 119.97 2p0p s ILE 58 Ca 0.24 -0.67 0.04 0.00 0.00 0.00 0.00 60.65 60.27 2p0p s ILE 58 Cb 0.04 -0.88 -0.04 0.00 0.01 0.00 0.00 42.46 41.59 2p0p s ILE 58 CO 0.06 0.20 0.03 -1.61 0.00 0.00 0.00 174.94 173.62 2p0p s GLU 59 N -0.54 2.65 -0.45 2.79 2.02 0.48 -4.94 118.70 120.71 2p0p s GLU 59 Ca 0.04 -0.81 0.03 0.00 0.02 0.00 0.00 54.97 54.24 2p0p s GLU 59 Cb -0.06 -2.59 0.13 0.00 0.10 0.00 0.00 34.13 31.71 2p0p s GLU 59 CO 0.00 0.54 0.23 -1.21 0.02 0.00 0.00 175.26 174.84 2p0p s GLU 60 N -2.40 1.45 -0.29 1.61 2.02 -1.26 -1.07 118.70 118.77 2p0p s GLU 60 Ca 0.27 -2.12 -0.15 0.00 0.02 0.00 0.00 54.97 53.00 2p0p s GLU 60 Cb -0.12 -2.63 -0.03 0.00 0.10 0.00 0.00 34.13 31.45 2p0p s GLU 60 CO 0.20 -1.13 0.36 0.21 0.02 0.00 0.00 175.26 174.92 2p0p s LYS 61 N 0.28 3.90 0.17 1.61 2.20 -0.56 -4.91 119.74 122.43 2p0p s LYS 61 Ca 0.17 -0.09 -0.30 0.00 -0.36 0.00 0.00 55.97 55.38 2p0p s LYS 61 Cb -0.24 -3.69 -0.08 0.00 -1.51 0.00 0.00 37.83 32.30 2p0p s LYS 61 CO -0.01 -0.33 1.29 0.99 -0.36 0.00 0.00 175.35 176.93 2p0p s THR 62 N 2.04 3.37 0.05 3.43 2.01 -1.26 -0.49 115.64 124.79 2p0p s THR 62 Ca 0.14 1.09 -0.03 0.00 0.31 0.00 0.00 61.69 63.20 2p0p s THR 62 Cb -0.16 -3.70 -0.02 0.00 0.01 0.00 0.00 72.50 68.63 2p0p s THR 62 CO 0.11 0.14 0.03 0.68 -0.69 0.00 0.00 174.62 174.89 2p0p s VAL 63 N 0.35 0.17 -0.19 3.82 -7.23 -0.11 -2.60 120.40 114.61 2p0p s VAL 63 Ca 0.58 -1.40 -0.06 0.00 -1.81 0.00 0.00 61.98 59.29 2p0p s VAL 63 Cb -0.35 -1.12 -0.03 0.00 0.56 0.00 0.00 36.38 35.43 2p0p s VAL 63 CO 0.36 -0.77 0.02 -0.70 -0.31 0.00 0.00 175.10 173.69 2p0p s GLU 64 N -3.15 3.73 -0.40 4.82 2.12 -0.46 -0.88 118.70 124.48 2p0p s GLU 64 Ca -0.00 -0.47 -0.16 0.00 0.36 0.00 0.00 54.97 54.70 2p0p s GLU 64 Cb 0.02 -3.12 0.01 0.00 0.26 0.00 0.00 34.13 31.31 2p0p s GLU 64 CO -0.07 0.10 0.39 0.08 -0.54 0.00 0.00 175.26 175.21 2p0p s VAL 65 N 0.80 5.15 0.18 3.70 1.01 0.67 -0.42 120.40 131.49 2p0p s VAL 65 Ca 0.01 -0.32 0.08 0.00 0.00 0.00 0.00 61.98 61.75 2p0p s VAL 65 Cb -0.14 -3.96 -0.14 0.00 0.00 0.00 0.00 36.38 32.15 2p0p s VAL 65 CO 0.02 -0.31 1.41 -0.07 0.00 0.00 0.00 175.10 176.15 2p0p h LEU 66 N 8.88 0.01 0.00 3.92 4.07 -1.25 -0.85 115.31 130.09 2p0p h LEU 66 Ca -0.27 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.68 2p0p h LEU 66 Cb 1.12 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.86 2p0p h LEU 66 CO 0.75 0.85 0.00 0.61 -1.08 0.00 0.00 178.44 179.57 2p0p n GLY 67 N 0.91 -1.98 3.74 0.83 0.00 -1.24 -4.11 105.19 103.33 2p0p n GLY 67 Ca -0.01 -1.41 -0.36 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.88 2.78 1.08 1.61 -1.94 -1.26 -0.71 119.30 118.98 2p0p s MET 68 Ca 0.00 1.90 -0.13 0.00 -1.71 0.00 0.00 55.69 55.76 2p0p s MET 68 Cb 0.00 -1.89 0.23 0.00 2.01 0.00 0.00 34.83 35.18 2p0p s MET 68 CO 0.00 -1.37 1.07 0.00 -0.01 0.00 0.00 175.02 174.71 2p0p s ALA 69 N -1.55 0.39 0.48 3.03 0.00 -0.27 -4.31 121.76 119.54 2p0p s ALA 69 Ca 0.79 -0.35 -0.21 0.00 0.00 0.00 0.00 51.96 52.19 2p0p s ALA 69 Cb -0.33 -3.14 -0.10 0.00 0.00 0.00 0.00 23.12 19.55 2p0p s ALA 69 CO 0.36 -3.26 0.70 -2.30 0.00 0.00 0.00 175.76 171.26 2p0p n PRO 70 N -4.48 0.79 0.22 0.00 -0.02 -1.26 -4.78 135.00 125.47 2p0p n PRO 70 Ca 0.04 0.29 0.12 0.00 -2.02 0.00 0.00 63.50 61.94 2p0p n PRO 70 Cb 0.57 -1.77 0.73 0.00 -0.02 0.00 0.00 33.50 33.00 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 0.79 0.00 -0.05 2.55 2.03 -1.95 -1.22 116.42 118.57 2p0p h ASP 71 Ca -0.44 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 55.78 2p0p h ASP 71 Cb 1.38 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.87 2p0p h ASP 71 CO 0.51 0.00 -0.20 -0.78 -1.03 0.00 0.00 179.24 177.74 2p0p h ASP 72 N 0.00 0.43 -0.17 4.15 3.58 -2.02 -2.18 116.42 120.21 2p0p h ASP 72 Ca 0.05 -0.13 -0.18 0.00 0.42 0.00 0.00 57.03 57.18 2p0p h ASP 72 Cb 0.20 -0.12 0.01 0.00 1.72 0.00 0.00 39.33 41.14 2p0p h ASP 72 CO -0.00 0.65 -0.61 -0.33 -2.88 0.00 0.00 179.24 176.07 2p0p h GLU 73 N 0.40 0.72 -0.21 0.28 4.39 -1.60 -3.32 114.58 115.24 2p0p h GLU 73 Ca 0.07 -0.54 0.00 0.00 0.34 0.00 0.00 59.36 59.22 2p0p h GLU 73 Cb 0.58 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 2p0p h GLU 73 CO 0.04 1.16 0.00 0.00 -1.16 0.00 0.00 179.01 179.05 2p0p n LEU 75 N -0.33 0.47 0.00 0.00 4.77 -1.09 -4.25 117.00 116.57 2p0p n LEU 75 Ca 0.00 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 2p0p n LEU 75 Cb 0.05 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 2p0p n LEU 75 CO 0.00 -0.34 -0.15 2.29 -1.33 0.00 0.00 177.39 177.86 2p0p n LYS 76 N -1.99 3.13 -3.58 3.23 2.85 -1.21 -4.55 118.16 116.04 2p0p n LYS 76 Ca 0.04 0.00 -0.16 0.00 -1.05 0.00 0.00 58.31 57.14 2p0p n LYS 76 Cb 0.27 -0.65 -0.06 0.00 -0.65 0.00 0.00 35.03 33.95 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 -0.95 -0.50 -1.27 -5.58 2.15 -1.26 -4.94 116.67 104.32 2p0p s ASP 77 Ca 0.00 0.41 -0.19 0.00 0.43 0.00 0.00 52.55 53.20 2p0p s ASP 77 Cb 0.00 0.49 0.03 0.00 -0.30 0.00 0.00 42.92 43.14 2p0p s ASP 77 CO 0.00 -0.63 1.78 -0.04 -0.17 0.00 0.00 175.17 176.11 2p0p s MET 78 N -1.69 3.65 0.49 4.34 -1.94 -1.26 -4.16 119.30 118.71 2p0p s MET 78 Ca -0.09 -1.80 -0.19 0.00 -1.71 0.00 0.00 55.69 51.90 2p0p s MET 78 Cb -0.01 -5.47 -0.09 0.00 2.01 0.00 0.00 34.83 31.27 2p0p s MET 78 CO 0.05 -2.65 0.99 0.71 -0.01 0.00 0.00 175.02 174.11 2p0p s TYR 79 N 5.78 3.27 0.02 -0.03 2.02 -1.26 -1.32 117.35 125.82 2p0p s TYR 79 Ca 0.57 1.55 0.03 0.00 -0.37 0.00 0.00 57.07 58.85 2p0p s TYR 79 Cb 0.03 -2.89 -0.02 0.00 -0.40 0.00 0.00 41.96 38.69 2p0p s TYR 79 CO 0.09 -0.43 -0.10 0.14 -1.57 0.00 0.00 175.55 173.68 2p0p s VAL 80 N -2.33 0.75 0.30 0.71 -7.23 0.25 -1.11 120.40 111.74 2p0p s VAL 80 Ca 0.62 -0.72 -0.29 0.00 -1.81 0.00 0.00 61.98 59.78 2p0p s VAL 80 Cb -0.11 -0.69 -0.09 0.00 0.56 0.00 0.00 36.38 36.04 2p0p s VAL 80 CO 0.23 -0.01 1.07 -1.61 -0.31 0.00 0.00 175.10 174.46 2p0p s GLU 81 N -0.82 4.59 -0.11 4.82 2.02 0.12 -0.95 118.70 128.37 2p0p s GLU 81 Ca -0.01 1.70 -0.09 0.00 0.02 0.00 0.00 54.97 56.60 2p0p s GLU 81 Cb -0.06 -3.08 0.04 0.00 0.10 0.00 0.00 34.13 31.12 2p0p s GLU 81 CO 0.00 0.20 0.29 0.54 0.02 0.00 0.00 175.26 176.31 2p0p s VAL 82 N -1.26 -0.01 -0.13 2.63 0.11 -0.38 -0.85 120.40 120.51 2p0p s VAL 82 Ca 0.46 0.04 -0.02 0.00 -2.93 0.00 0.00 61.98 59.53 2p0p s VAL 82 Cb -0.29 -0.42 -0.03 0.00 -1.53 0.00 0.00 36.38 34.11 2p0p s VAL 82 CO 0.37 0.02 -0.04 0.00 -3.33 0.00 0.00 175.10 172.12 2p0p s ALA 83 N 0.53 3.02 -1.36 1.54 0.00 0.43 -0.37 121.76 125.55 2p0p s ALA 83 Ca -0.03 -0.84 -0.14 0.00 0.00 0.00 0.00 51.96 50.95 2p0p s ALA 83 Cb -0.05 -1.46 0.08 0.00 0.00 0.00 0.00 23.12 21.70 2p0p s ALA 83 CO -0.03 0.35 1.96 -3.47 0.00 0.00 0.00 175.76 174.57 2p0p n ASP 84 N 3.05 4.49 0.00 0.00 2.03 -1.21 -1.35 116.55 123.55 2p0p n ASP 84 Ca -0.18 -2.92 0.02 0.00 0.52 0.00 0.00 54.79 52.23 2p0p n ASP 84 Cb 0.53 -1.65 0.08 0.00 -0.72 0.00 0.00 41.12 39.36 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 5.15 0.96 0.79 5.18 -5.35 -1.23 -0.46 119.36 124.40 2p0p n ILE 85 Ca 0.48 0.24 0.11 0.00 -0.27 0.00 0.00 62.75 63.30 2p0p n ILE 85 Cb 0.41 -1.19 -0.05 0.00 -1.74 0.00 0.00 39.64 37.07 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 -0.99 -1.07 0.00 3.28 0.00 -1.07 -4.66 105.19 100.68 2p0p n GLY 86 Ca 0.02 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 1.44 0.82 0.74 -0.02 0.00 -0.64 -4.99 105.19 102.54 2p0p n GLY 87 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.40 -5.04 118.16 119.88 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 0.00 -0.39 0.00 0.00 -1.84 0.00 0.00 35.03 32.80 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 -2.07 0.00 -0.18 4.39 2.03 0.32 -4.39 116.55 116.65 2p0p n ASP 89 Ca 0.00 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.33 2p0p n ASP 89 Cb 0.10 -0.24 0.04 0.00 -0.72 0.00 0.00 41.12 40.31 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 2.25 -4.23 1.67 2.03 -1.26 -4.82 116.55 112.19 2p0p n ASP 90 Ca 0.00 -1.99 -0.13 0.00 0.52 0.00 0.00 54.79 53.19 2p0p n ASP 90 Cb 0.00 -0.06 -0.10 0.00 -0.72 0.00 0.00 41.12 40.24 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 -0.99 1.46 0.04 1.67 2.15 -1.26 -5.13 116.67 114.60 2p0p s ASP 91 Ca 0.06 -1.05 0.02 0.00 0.43 0.00 0.00 52.55 52.01 2p0p s ASP 91 Cb 0.03 0.05 -0.02 0.00 -0.30 0.00 0.00 42.92 42.68 2p0p s ASP 91 CO 0.04 -0.43 -0.08 -0.69 -0.17 0.00 0.00 175.17 173.84 2p0p s VAL 92 N -3.50 0.60 0.00 1.11 1.01 -1.26 -3.33 120.40 115.02 2p0p s VAL 92 Ca 0.17 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.17 2p0p s VAL 92 Cb 0.04 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.79 2p0p s VAL 92 CO -0.00 -0.28 0.00 -1.22 0.00 0.00 0.00 175.10 173.59 2p0p n TYR 93 N 1.67 0.00 -4.56 5.22 4.01 0.50 -4.99 117.16 119.01 2p0p n TYR 93 Ca -0.21 0.00 -0.26 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 -1.82 1.85 0.09 -0.72 2.01 -1.26 -1.26 115.64 114.54 2p0p s THR 94 Ca 0.00 -1.40 0.01 0.00 0.31 0.00 0.00 61.69 60.61 2p0p s THR 94 Cb 0.00 -1.62 -0.04 0.00 0.01 0.00 0.00 72.50 70.85 2p0p s THR 94 CO 0.00 0.15 -0.05 0.00 -0.69 0.00 0.00 174.62 174.03 2p0p s ALA 95 N -0.93 0.91 -0.02 7.40 0.00 -0.12 -4.92 121.76 124.08 2p0p s ALA 95 Ca 0.09 -1.34 -0.30 0.00 0.00 0.00 0.00 51.96 50.41 2p0p s ALA 95 Cb -0.09 0.23 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 2p0p s ALA 95 CO 0.03 -0.27 1.02 0.15 0.00 0.00 0.00 175.76 176.69 2p0p s LYS 96 N -3.86 4.51 0.43 0.00 3.01 -1.26 -0.59 119.74 121.98 2p0p s LYS 96 Ca 0.12 1.47 0.11 0.00 -1.01 0.00 0.00 55.97 56.66 2p0p s LYS 96 Cb 0.06 -3.47 0.98 0.00 -1.01 0.00 0.00 37.83 34.39 2p0p s LYS 96 CO -0.05 -0.15 2.04 1.25 0.51 0.00 0.00 175.35 178.95 2p0p h LEU 97 N 7.11 0.37 -1.36 3.17 5.85 -1.53 -1.19 115.31 127.73 2p0p h LEU 97 Ca -0.39 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.33 2p0p h LEU 97 Cb 1.20 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.15 2p0p h LEU 97 CO 0.78 0.25 0.39 0.28 -0.34 0.00 0.00 178.44 179.81 2p0p h SER 98 N 0.43 0.00 0.00 1.25 0.02 -1.92 -2.57 113.55 110.76 2p0p h SER 98 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2p0p h SER 98 Cb 0.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.74 2p0p h SER 98 CO -0.05 0.00 -0.03 -0.67 -1.14 0.00 0.00 176.83 174.95 2p0p n ASP 99 N -2.53 1.75 -4.46 3.07 2.03 -0.45 -5.03 116.55 110.94 2p0p n ASP 99 Ca -0.01 -2.18 -0.28 0.00 0.52 0.00 0.00 54.79 52.84 2p0p n ASP 99 Cb 0.42 -0.13 -0.11 0.00 -0.72 0.00 0.00 41.12 40.58 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 -1.33 2.60 -0.21 5.18 1.01 -0.97 -2.15 121.20 125.33 2p0p s ILE 100 Ca 0.09 -1.79 -0.03 0.00 0.00 0.00 0.00 60.65 58.91 2p0p s ILE 100 Cb 0.07 -2.23 -0.01 0.00 0.01 0.00 0.00 42.46 40.31 2p0p s ILE 100 CO 0.01 -0.03 -0.06 -0.70 0.00 0.00 0.00 174.94 174.16 2p0p s GLU 101 N -2.47 3.35 0.24 2.79 2.12 -0.12 -4.94 118.70 119.68 2p0p s GLU 101 Ca 0.20 -0.64 -0.30 0.00 0.36 0.00 0.00 54.97 54.58 2p0p s GLU 101 Cb -0.09 -2.94 -0.09 0.00 0.26 0.00 0.00 34.13 31.27 2p0p s GLU 101 CO 0.10 -0.16 0.95 0.00 -0.54 0.00 0.00 175.26 175.61 2p0p s ALA 102 N 1.36 3.34 0.02 6.30 0.00 -1.26 -0.54 121.76 130.99 2p0p s ALA 102 Ca 0.04 0.64 0.05 0.00 0.00 0.00 0.00 51.96 52.69 2p0p s ALA 102 Cb -0.14 -3.22 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 2p0p s ALA 102 CO -0.03 0.18 -0.14 0.42 0.00 0.00 0.00 175.76 176.19 2p0p s ILE 103 N -1.16 1.10 -1.87 0.00 1.01 -0.14 -4.81 121.20 115.32 2p0p s ILE 103 Ca 0.41 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 60.20 2p0p s ILE 103 Cb -0.26 -0.97 0.00 0.00 0.01 0.00 0.00 42.46 41.24 2p0p s ILE 103 CO 0.33 0.10 0.00 -0.67 0.00 0.00 0.00 174.94 174.70 2p0p n ASP 104 N 2.17 -4.89 -4.85 3.58 2.03 -1.26 -3.60 116.55 109.73 2p0p n ASP 104 Ca -0.17 0.38 -0.30 0.00 0.52 0.00 0.00 54.79 55.22 2p0p n ASP 104 Cb 0.55 -4.32 0.06 0.00 -0.72 0.00 0.00 41.12 36.68 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 -2.61 3.55 0.69 5.18 -7.23 -1.26 -4.88 120.40 113.83 2p0p s VAL 105 Ca 0.00 0.50 -0.13 0.00 -1.81 0.00 0.00 61.98 60.54 2p0p s VAL 105 Cb 0.00 -3.40 0.01 0.00 0.56 0.00 0.00 36.38 33.55 2p0p s VAL 105 CO 0.00 -0.66 1.09 -0.62 -0.31 0.00 0.00 175.10 174.60 2p0p s ASP 106 N -4.14 5.09 0.21 4.85 2.15 -1.26 -4.84 116.67 118.73 2p0p s ASP 106 Ca 0.59 1.85 -0.09 0.00 0.43 0.00 0.00 52.55 55.33 2p0p s ASP 106 Cb -0.12 -2.53 0.25 0.00 -0.30 0.00 0.00 42.92 40.22 2p0p s ASP 106 CO 0.53 -1.64 1.80 -0.78 -0.17 0.00 0.00 175.17 174.91 2p0p h ASP 107 N -0.36 0.53 0.70 -0.34 3.58 -1.98 0.55 116.42 119.09 2p0p h ASP 107 Ca -0.45 0.04 -0.14 0.00 0.42 0.00 0.00 57.03 56.90 2p0p h ASP 107 Cb 1.23 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 42.19 2p0p h ASP 107 CO 0.54 0.34 -0.64 -0.78 -2.88 0.00 0.00 179.24 175.82 2p0p h ASP 108 N 0.67 0.00 0.03 2.28 3.58 -1.93 0.20 116.42 121.25 2p0p h ASP 108 Ca 0.31 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.75 2p0p h ASP 108 Cb 0.22 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.27 2p0p h ASP 108 CO -0.20 0.64 -0.02 0.74 -2.88 0.00 0.00 179.24 177.53 2p0p h THR 109 N 0.00 1.24 -0.42 2.25 2.02 -1.63 -2.04 112.91 114.33 2p0p h THR 109 Ca -0.01 -0.87 0.03 0.00 0.77 0.00 0.00 66.41 66.34 2p0p h THR 109 Cb 1.17 1.81 -0.03 0.00 -1.74 0.00 0.00 68.15 69.36 2p0p h THR 109 CO 0.08 0.22 0.22 -0.61 0.37 0.00 0.00 175.52 175.80 2p0p h GLN 110 N -0.42 0.43 -0.61 6.66 -0.00 -0.65 -2.11 115.11 118.40 2p0p h GLN 110 Ca -0.00 -0.03 -0.04 0.00 -0.00 0.00 0.00 58.65 58.58 2p0p h GLN 110 Cb 0.39 -0.10 -0.03 0.00 0.00 0.00 0.00 27.48 27.75 2p0p h GLN 110 CO 0.01 0.28 0.22 0.93 0.00 0.00 0.00 178.83 180.28 2p0p h GLU 111 N 0.44 0.90 -0.51 1.69 4.39 -0.98 0.67 114.58 121.19 2p0p h GLU 111 Ca 0.18 -0.15 -0.06 0.00 0.34 0.00 0.00 59.36 59.66 2p0p h GLU 111 Cb 0.07 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 2p0p h GLU 111 CO -0.11 0.75 0.08 0.00 -1.16 0.00 0.00 179.01 178.57 2p0p h ALA 112 N 1.36 0.68 -0.25 3.43 0.00 -0.89 -0.04 119.26 123.54 2p0p h ALA 112 Ca 0.21 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2p0p h ALA 112 Cb 0.20 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2p0p h ALA 112 CO -0.02 0.41 -0.02 0.82 0.00 0.00 0.00 179.25 180.45 2p0p h ILE 113 N 0.73 1.27 -0.76 0.00 2.04 -0.88 -1.21 117.51 118.70 2p0p h ILE 113 Ca 0.16 -0.96 0.02 0.00 1.00 0.00 0.00 64.86 65.07 2p0p h ILE 113 Cb 0.40 1.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 2p0p h ILE 113 CO 0.01 0.30 0.50 0.00 0.00 0.00 0.00 178.15 178.96 2p0p h ALA 114 N 0.79 0.98 -0.32 1.87 0.00 -0.78 -1.41 119.26 120.38 2p0p h ALA 114 Ca 0.07 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 2p0p h ALA 114 Cb 0.45 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2p0p h ALA 114 CO 0.02 0.34 -0.32 0.22 0.00 0.00 0.00 179.25 179.51 2p0p h ASP 115 N 0.99 0.73 -0.34 0.00 3.58 -0.80 0.03 116.42 120.61 2p0p h ASP 115 Ca 0.29 -0.29 0.01 0.00 0.42 0.00 0.00 57.03 57.46 2p0p h ASP 115 Cb -0.06 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 40.76 2p0p h ASP 115 CO -0.08 0.99 0.20 -0.25 -2.88 0.00 0.00 179.24 177.21 2p0p h TRP 116 N 0.59 0.37 -0.73 0.28 2.91 -0.95 -0.73 115.95 117.69 2p0p h TRP 116 Ca 0.07 0.01 -0.04 0.00 1.13 0.00 0.00 58.89 60.06 2p0p h TRP 116 Cb 0.83 -0.12 -0.03 0.00 -0.51 0.00 0.00 29.16 29.33 2p0p h TRP 116 CO 0.04 0.22 0.29 -0.07 -1.03 0.00 0.00 178.44 177.89 2p0p h LEU 117 N 0.40 1.00 -0.40 0.65 3.38 -0.73 0.44 115.31 120.06 2p0p h LEU 117 Ca 0.13 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 2p0p h LEU 117 Cb 0.00 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 2p0p h LEU 117 CO -0.06 0.90 0.14 1.88 0.09 0.00 0.00 178.44 181.39 2p0p h TYR 118 N 1.04 0.62 -0.88 1.13 0.05 -0.83 -1.07 116.97 117.02 2p0p h TYR 118 Ca 0.24 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.97 2p0p h TYR 118 Cb 0.21 -0.18 -0.04 0.00 1.01 0.00 0.00 36.73 37.72 2p0p h TYR 118 CO 0.02 0.56 0.56 2.35 -1.05 0.00 0.00 178.16 180.60 2p0p h TRP 119 N 0.50 1.13 -0.22 4.88 2.91 -0.76 0.11 115.95 124.48 2p0p h TRP 119 Ca 0.13 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.15 2p0p h TRP 119 Cb 0.22 -0.38 -0.01 0.00 -0.51 0.00 0.00 29.16 28.48 2p0p h TRP 119 CO 0.00 0.73 0.09 1.25 -1.03 0.00 0.00 178.44 179.48 2p0p h LEU 120 N 1.21 0.31 -1.35 0.65 5.85 -0.56 -2.93 115.31 118.48 2p0p h LEU 120 Ca 0.32 -0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.81 2p0p h LEU 120 Cb -0.10 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 2p0p h LEU 120 CO -0.07 0.40 -0.21 0.00 -0.34 0.00 0.00 178.44 178.22 2p0p h ALA 121 N 0.93 1.47 -0.02 1.25 0.00 -0.80 -1.97 119.26 120.12 2p0p h ALA 121 Ca 0.07 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2p0p h ALA 121 Cb 0.19 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2p0p h ALA 121 CO -0.01 0.38 0.15 0.00 0.00 0.00 0.00 179.25 179.78 2p0p h ARG 122 N 0.15 0.00 0.00 0.00 2.47 -0.79 -3.35 114.38 112.86 2p0p h ARG 122 Ca 0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 2p0p h ARG 122 Cb 0.47 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.79 2p0p h ARG 122 CO 0.03 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.97 2p0p n GLY 123 N -1.17 0.78 3.69 0.04 0.00 -0.80 -4.93 105.19 102.80 2p0p n GLY 123 Ca -0.02 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 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 2.14 -0.49 1.61 9.36 -0.86 -4.94 117.16 123.98 2p0p n TYR 124 Ca 0.00 0.55 0.00 0.00 3.32 0.00 0.00 57.90 61.77 2p0p n TYR 124 Cb 0.00 -2.39 0.00 0.00 -0.63 0.00 0.00 39.34 36.32 2p0p n TYR 124 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 2p0p n LYS 125 N 0.45 0.00 0.00 2.98 2.85 -1.26 -5.12 118.16 118.06 2p0p n LYS 125 Ca 0.06 0.00 0.13 0.00 -1.05 0.00 0.00 58.31 57.44 2p0p n LYS 125 Cb 0.37 -0.24 0.29 0.00 -0.65 0.00 0.00 35.03 34.79 2p0p n LYS 125 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54