#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p0p s ALA 2 N 0.00 3.50 0.00 3.17 0.00 -1.26 -4.94 121.76 122.22 2p0p s ALA 2 Ca 0.00 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.17 2p0p s ALA 2 Cb 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2p0p s ALA 2 CO 0.00 -0.58 0.49 0.43 0.00 0.00 0.00 175.76 176.10 2p0p n SER 3 N 1.08 0.44 -4.52 0.00 7.64 -1.26 -4.94 113.62 112.05 2p0p n SER 3 Ca 0.01 -1.19 -0.44 0.00 1.01 0.00 0.00 58.87 58.26 2p0p n SER 3 Cb 0.42 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.57 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 -0.09 0.15 -2.72 0.44 0.24 -1.26 -1.58 118.33 113.50 2p0p n VAL 4 Ca 0.00 -0.44 -0.16 0.00 -2.04 0.00 0.00 64.34 61.70 2p0p n VAL 4 Cb 0.37 -2.11 -0.00 0.00 -1.47 0.00 0.00 33.84 30.62 2p0p n VAL 4 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2p0p n GLU 5 N 8.60 -2.73 -1.85 7.34 -0.58 -1.26 -4.75 120.64 125.41 2p0p n GLU 5 Ca 0.39 0.60 -0.41 0.00 -0.42 0.00 0.00 57.16 57.31 2p0p n GLU 5 Cb 0.36 -5.25 -0.02 0.00 -0.57 0.00 0.00 31.44 25.96 2p0p n GLU 5 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 2p0p n ARG 6 N -3.14 2.56 -3.82 3.49 0.63 -0.61 -4.74 116.66 111.01 2p0p n ARG 6 Ca -0.11 -2.60 -0.12 0.00 -0.92 0.00 0.00 57.85 54.10 2p0p n ARG 6 Cb 0.60 -3.31 -0.12 0.00 0.45 0.00 0.00 32.46 30.08 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 4.09 -0.13 0.54 6.15 2.15 -1.26 -5.05 116.67 123.14 2p0p s ASP 7 Ca 0.53 0.22 0.20 0.00 0.43 0.00 0.00 52.55 53.92 2p0p s ASP 7 Cb 0.10 0.33 1.41 0.00 -0.30 0.00 0.00 42.92 44.46 2p0p s ASP 7 CO 0.01 -0.14 2.17 1.05 -0.17 0.00 0.00 175.17 178.09 2p0p h GLU 8 N 5.45 0.00 -0.43 4.34 4.11 -1.99 -1.63 114.58 124.43 2p0p h GLU 8 Ca -0.27 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.16 2p0p h GLU 8 Cb 1.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 2p0p h GLU 8 CO 0.40 0.01 0.25 1.15 0.07 0.00 0.00 179.01 180.90 2p0p h THR 9 N 0.00 1.14 -0.30 -1.06 2.02 -1.97 -0.52 112.91 112.22 2p0p h THR 9 Ca -0.00 -0.33 -0.15 0.00 0.77 0.00 0.00 66.41 66.70 2p0p h THR 9 Cb 0.03 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 2p0p h THR 9 CO 0.00 0.14 -0.40 0.03 0.37 0.00 0.00 175.52 175.66 2p0p h ARG 10 N 0.57 0.72 -0.09 6.66 -0.00 -1.61 -1.21 114.38 119.41 2p0p h ARG 10 Ca 0.15 -0.38 0.02 0.00 -0.50 0.00 0.00 59.98 59.28 2p0p h ARG 10 Cb 0.01 0.01 -0.02 0.00 0.00 0.00 0.00 29.97 29.97 2p0p h ARG 10 CO -0.03 0.99 -0.04 1.49 0.00 0.00 0.00 179.97 182.39 2p0p h GLU 11 N 0.59 -0.03 -0.11 0.04 4.57 -0.87 0.11 114.58 118.89 2p0p h GLU 11 Ca 0.05 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.21 2p0p h GLU 11 Cb 0.95 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.54 2p0p h GLU 11 CO 0.09 -0.02 0.01 0.45 -1.18 0.00 0.00 179.01 178.36 2p0p h HIS 12 N -0.03 0.20 -0.08 0.92 3.86 -1.10 -2.79 115.15 116.14 2p0p h HIS 12 Ca 0.05 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 2p0p h HIS 12 Cb 0.10 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 28.52 2p0p h HIS 12 CO -0.16 0.41 0.03 0.00 0.86 0.00 0.00 177.93 179.08 2p0p h ARG 13 N -0.08 0.13 -0.79 2.45 3.08 -0.93 -0.01 114.38 118.23 2p0p h ARG 13 Ca 0.03 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 2p0p h ARG 13 Cb 0.33 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.32 2p0p h ARG 13 CO 0.00 0.26 0.47 0.97 -1.07 0.00 0.00 179.97 180.60 2p0p h ILE 14 N -0.04 1.22 0.39 2.04 2.10 -0.88 -1.47 117.51 120.88 2p0p h ILE 14 Ca 0.03 -0.51 -0.02 0.00 1.08 0.00 0.00 64.86 65.44 2p0p h ILE 14 Cb 0.19 0.13 0.00 0.00 -1.09 0.00 0.00 36.82 36.05 2p0p h ILE 14 CO -0.00 0.24 -0.19 -0.08 -1.08 0.00 0.00 178.15 177.04 2p0p h GLU 15 N 1.08 -0.50 0.00 2.19 4.81 -1.28 -0.62 114.58 120.26 2p0p h GLU 15 Ca 0.28 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 2p0p h GLU 15 Cb -0.03 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.47 2p0p h GLU 15 CO -0.05 -0.29 0.00 0.25 -0.73 0.00 0.00 179.01 178.19 2p0p n THR 16 N -5.28 0.10 -0.01 0.32 -2.24 -0.03 -1.56 114.28 105.57 2p0p n THR 16 Ca -0.11 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2p0p n THR 16 Cb 0.24 -0.68 -0.02 0.00 -2.10 0.00 0.00 70.33 67.78 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 -1.08 1.80 0.00 -0.78 -0.58 -0.59 -4.77 120.64 114.64 2p0p n GLU 17 Ca 0.15 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.88 2p0p n GLU 17 Cb 0.10 -1.06 0.00 0.00 -0.57 0.00 0.00 31.44 29.91 2p0p n GLU 17 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 2p0p n ILE 18 N -1.83 0.00 -2.72 -3.67 5.41 -0.25 -4.83 119.36 111.46 2p0p n ILE 18 Ca -0.02 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.69 2p0p n ILE 18 Cb 0.32 -0.77 0.04 0.00 -0.71 0.00 0.00 39.64 38.52 2p0p n ILE 18 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 2p0p n ILE 19 N -2.00 1.39 -0.23 1.39 -0.00 -0.82 -4.12 119.36 114.98 2p0p n ILE 19 Ca 0.00 -3.11 0.02 0.00 -0.00 0.00 0.00 62.75 59.65 2p0p n ILE 19 Cb 0.45 0.92 0.14 0.00 -0.00 0.00 0.00 39.64 41.14 2p0p n ILE 19 CO 0.00 0.00 0.00 0.58 -0.00 0.00 0.00 176.55 177.13 2p0p h VAL 20 N 4.86 0.74 0.00 7.28 2.07 -1.59 -3.33 116.25 126.28 2p0p h VAL 20 Ca -0.07 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.30 2p0p h VAL 20 Cb 1.28 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2p0p h VAL 20 CO 0.29 0.08 -0.46 -0.67 0.02 0.00 0.00 177.57 176.84 2p0p n ASP 21 N -4.99 2.28 -4.77 0.57 2.03 -1.26 -4.93 116.55 105.48 2p0p n ASP 21 Ca 0.11 -0.04 -0.41 0.00 0.52 0.00 0.00 54.79 54.97 2p0p n ASP 21 Cb 0.32 0.53 -0.01 0.00 -0.72 0.00 0.00 41.12 41.23 2p0p n ASP 21 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2p0p s ALA 22 N -0.98 3.55 0.00 -1.67 0.00 -1.25 -4.94 121.76 116.47 2p0p s ALA 22 Ca 0.00 1.41 0.00 0.00 0.00 0.00 0.00 51.96 53.37 2p0p s ALA 22 Cb 0.00 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.57 2p0p s ALA 22 CO 0.00 -0.84 0.31 -0.85 0.00 0.00 0.00 175.76 174.39 2p0p n GLU 23 N 0.86 0.14 -4.26 0.00 0.28 -1.26 -4.82 120.64 111.58 2p0p n GLU 23 Ca 0.01 -0.35 -0.19 0.00 -0.16 0.00 0.00 57.16 56.47 2p0p n GLU 23 Cb 0.40 -0.58 -0.13 0.00 1.43 0.00 0.00 31.44 32.56 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 -0.08 1.53 0.45 -1.84 -1.08 -1.26 -5.03 116.67 109.36 2p0p s ASP 24 Ca 0.00 -0.49 0.21 0.00 -0.52 0.00 0.00 52.55 51.75 2p0p s ASP 24 Cb 0.00 -0.07 1.19 0.00 -1.46 0.00 0.00 42.92 42.58 2p0p s ASP 24 CO 0.00 -0.02 1.85 0.07 0.52 0.00 0.00 175.17 177.59 2p0p h LYS 25 N 4.76 0.29 -0.08 4.34 -0.00 -1.96 0.13 116.57 124.04 2p0p h LYS 25 Ca -0.38 -0.02 -0.09 0.00 -0.00 0.00 0.00 60.65 60.16 2p0p h LYS 25 Cb 1.19 -0.06 0.00 0.00 -0.00 0.00 0.00 32.23 33.35 2p0p h LYS 25 CO 0.43 0.19 -0.31 0.93 -0.00 0.00 0.00 179.45 180.69 2p0p h GLU 26 N 0.30 0.35 -0.47 0.07 5.08 -1.98 -0.81 114.58 117.13 2p0p h GLU 26 Ca 0.47 -0.27 -0.09 0.00 -1.00 0.00 0.00 59.36 58.48 2p0p h GLU 26 Cb 1.36 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.64 2p0p h GLU 26 CO -0.15 0.90 -0.05 0.93 -1.00 0.00 0.00 179.01 179.64 2p0p h GLU 27 N -0.12 0.81 -0.05 2.33 4.39 -1.58 -1.33 114.58 119.04 2p0p h GLU 27 Ca -0.02 -0.25 -0.15 0.00 0.34 0.00 0.00 59.36 59.29 2p0p h GLU 27 Cb 0.94 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.50 2p0p h GLU 27 CO 0.06 0.85 -0.64 0.00 -1.16 0.00 0.00 179.01 178.13 2p0p h ARG 28 N 0.75 0.19 -0.78 2.33 3.08 -0.82 -0.57 114.38 118.55 2p0p h ARG 28 Ca 0.13 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 2p0p h ARG 28 Cb 0.53 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.57 2p0p h ARG 28 CO 0.03 0.76 0.32 0.00 -1.07 0.00 0.00 179.97 180.01 2p0p h ALA 29 N 1.20 1.01 -0.54 0.04 0.00 -0.71 -1.48 119.26 118.78 2p0p h ALA 29 Ca -0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2p0p h ALA 29 Cb 1.15 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2p0p h ALA 29 CO 0.10 0.63 0.23 0.52 0.00 0.00 0.00 179.25 180.73 2p0p h MET 30 N 1.12 0.80 -0.01 0.00 2.86 -0.82 0.44 114.93 119.32 2p0p h MET 30 Ca 0.26 -0.14 0.02 0.00 -2.06 0.00 0.00 59.70 57.79 2p0p h MET 30 Cb 0.20 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 2p0p h MET 30 CO -0.02 0.69 -0.15 0.78 1.06 0.00 0.00 176.91 179.27 2p0p h GLY 31 N 0.74 -0.18 0.69 8.32 0.00 -0.77 0.13 103.07 111.99 2p0p h GLY 31 Ca 0.18 0.17 0.04 0.00 0.00 0.00 0.00 47.33 47.73 2p0p h GLY 31 CO -0.02 -0.14 0.08 1.49 0.00 0.00 0.00 176.54 177.95 2p0p h TRP 32 N -0.24 0.14 -0.44 5.60 4.06 -1.20 -2.72 115.95 121.16 2p0p h TRP 32 Ca 0.05 0.02 0.04 0.00 2.06 0.00 0.00 58.89 61.05 2p0p h TRP 32 Cb 0.31 -0.02 -0.04 0.00 -1.00 0.00 0.00 29.16 28.41 2p0p h TRP 32 CO -0.21 0.05 0.22 -0.92 -3.56 0.00 0.00 178.44 174.02 2p0p h TYR 33 N 0.20 0.40 0.26 0.49 5.03 -0.38 -1.57 116.97 121.40 2p0p h TYR 33 Ca 0.14 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.45 2p0p h TYR 33 Cb 0.13 -0.11 0.00 0.00 1.55 0.00 0.00 36.73 38.30 2p0p h TYR 33 CO -0.16 0.20 -0.13 1.88 -1.32 0.00 0.00 178.16 178.64 2p0p h TYR 34 N 0.43 -0.33 -0.32 -3.82 0.05 -0.46 0.37 116.97 112.90 2p0p h TYR 34 Ca 0.19 -0.01 -0.14 0.00 0.05 0.00 0.00 58.73 58.82 2p0p h TYR 34 Cb 0.10 0.11 -0.01 0.00 1.01 0.00 0.00 36.73 37.94 2p0p h TYR 34 CO -0.10 -0.16 -0.38 0.10 -1.05 0.00 0.00 178.16 176.57 2p0p h TYR 35 N -0.42 0.88 0.07 4.88 -0.00 -1.51 -2.74 116.97 118.14 2p0p h TYR 35 Ca -0.04 -0.25 -0.00 0.00 -0.00 0.00 0.00 58.73 58.44 2p0p h TYR 35 Cb 0.32 -0.19 0.00 0.00 -0.00 0.00 0.00 36.73 36.86 2p0p h TYR 35 CO -0.04 1.01 -0.03 1.25 -0.00 0.00 0.00 178.16 180.34 2p0p h LEU 36 N 0.61 -0.08 -1.20 0.10 5.85 -1.00 -0.96 115.31 118.64 2p0p h LEU 36 Ca 0.05 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 2p0p h LEU 36 Cb 0.92 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 2p0p h LEU 36 CO 0.08 0.23 0.40 -0.78 -0.34 0.00 0.00 178.44 178.03 2p0p h ASP 37 N -0.40 0.84 0.55 1.25 3.58 -1.00 0.63 116.42 121.87 2p0p h ASP 37 Ca -0.01 -0.06 -0.04 0.00 0.42 0.00 0.00 57.03 57.34 2p0p h ASP 37 Cb 0.35 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.18 2p0p h ASP 37 CO 0.02 0.66 -0.19 -0.78 -2.88 0.00 0.00 179.24 176.07 2p0p h ASP 38 N 0.96 0.00 0.21 2.28 3.58 -1.29 -3.26 116.42 118.90 2p0p h ASP 38 Ca 0.25 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 57.36 2p0p h ASP 38 Cb -0.01 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 40.99 2p0p h ASP 38 CO -0.04 0.19 -2.07 0.41 -2.88 0.00 0.00 179.24 174.85 2p0p n THR 39 N -3.61 1.56 -1.68 2.25 -1.04 -0.35 -4.84 114.28 106.58 2p0p n THR 39 Ca -0.01 -0.76 -0.42 0.00 -2.04 0.00 0.00 64.05 60.82 2p0p n THR 39 Cb 0.33 -1.06 -0.03 0.00 -1.82 0.00 0.00 70.33 67.74 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 -6.16 4.21 -0.59 -4.42 1.43 0.07 -4.31 118.68 108.90 2p0p s LEU 40 Ca -0.14 2.46 -0.06 0.00 -1.03 0.00 0.00 54.13 55.36 2p0p s LEU 40 Cb 0.07 -3.53 -0.12 0.00 0.03 0.00 0.00 46.19 42.65 2p0p s LEU 40 CO 0.78 -1.25 3.17 -0.62 0.23 0.00 0.00 176.35 178.67 2p0p n GLU 41 N 7.79 2.73 -0.96 1.70 1.02 -1.26 -4.95 120.64 126.71 2p0p n GLU 41 Ca 0.22 -1.81 -0.32 0.00 -0.02 0.00 0.00 57.16 55.22 2p0p n GLU 41 Cb 0.42 -2.27 0.14 0.00 -0.02 0.00 0.00 31.44 29.71 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 0.43 1.75 0.67 -0.32 -0.12 -1.26 -4.54 117.98 114.60 2p0p s PHE 42 Ca 0.65 1.72 -0.15 0.00 -0.05 0.00 0.00 56.93 59.10 2p0p s PHE 42 Cb 0.29 -3.42 0.01 0.00 -0.63 0.00 0.00 43.02 39.27 2p0p s PHE 42 CO -0.07 -2.80 1.12 -1.25 -0.05 0.00 0.00 175.22 172.16 2p0p s PRO 43 N -4.36 2.71 0.00 1.99 0.04 -1.26 -5.04 135.00 129.09 2p0p s PRO 43 Ca 0.70 1.41 0.00 0.00 0.04 0.00 0.00 61.00 63.15 2p0p s PRO 43 Cb -0.26 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.34 2p0p s PRO 43 CO 0.53 -1.32 0.00 1.97 0.04 0.00 0.00 177.00 178.22 2p0p n PHE 44 N -2.51 -0.13 -4.27 0.56 -1.74 -0.44 -5.00 117.46 103.94 2p0p n PHE 44 Ca 0.10 0.00 -0.15 0.00 -0.56 0.00 0.00 57.45 56.85 2p0p n PHE 44 Cb 0.52 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.42 2p0p n PHE 44 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2p0p s MET 45 N -1.62 1.29 0.15 3.97 0.23 -1.25 -0.21 119.30 121.86 2p0p s MET 45 Ca 0.00 -1.68 -0.15 0.00 -1.03 0.00 0.00 55.69 52.83 2p0p s MET 45 Cb 0.00 -0.11 0.06 0.00 -1.53 0.00 0.00 34.83 33.24 2p0p s MET 45 CO 0.00 -0.29 0.75 0.41 -2.03 0.00 0.00 175.02 173.86 2p0p n GLY 46 N -0.37 0.83 3.22 3.16 0.00 0.02 -1.10 105.19 110.95 2p0p n GLY 46 Ca -0.01 -1.10 -0.34 0.00 0.00 0.00 0.00 46.02 44.57 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 3.17 -0.49 1.61 2.47 0.22 -0.85 119.74 123.83 2p0p s LYS 47 Ca 0.16 -0.74 -0.28 0.00 -1.56 0.00 0.00 55.97 53.55 2p0p s LYS 47 Cb -0.02 -2.72 0.01 0.00 -1.46 0.00 0.00 37.83 33.64 2p0p s LYS 47 CO 0.05 -0.14 1.42 -0.46 0.16 0.00 0.00 175.35 176.37 2p0p s TRP 48 N 1.22 2.33 -0.52 4.03 -0.11 0.46 -0.85 118.94 125.50 2p0p s TRP 48 Ca 0.02 0.58 -0.06 0.00 1.22 0.00 0.00 56.10 57.86 2p0p s TRP 48 Cb -0.14 -4.35 -0.15 0.00 -1.50 0.00 0.00 33.47 27.33 2p0p s TRP 48 CO -0.06 -1.98 3.26 1.63 -4.62 0.00 0.00 176.95 175.18 2p0p n LYS 49 N 8.40 2.62 -1.64 5.86 4.76 -0.31 -1.40 118.16 136.44 2p0p n LYS 49 Ca 0.14 -1.66 -0.52 0.00 -2.87 0.00 0.00 58.31 53.41 2p0p n LYS 49 Cb 0.49 -2.24 -0.06 0.00 -1.84 0.00 0.00 35.03 31.38 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 2.41 1.63 -1.04 1.97 4.81 0.15 -4.65 118.16 123.44 2p0p n LYS 50 Ca 0.53 0.57 -0.29 0.00 -0.87 0.00 0.00 58.31 58.26 2p0p n LYS 50 Cb 0.66 -2.45 0.19 0.00 0.02 0.00 0.00 35.03 33.45 2p0p n LYS 50 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2p0p s LYS 51 N 4.41 0.17 0.39 1.64 2.20 -1.26 -0.63 119.74 126.66 2p0p s LYS 51 Ca 0.98 0.60 -0.22 0.00 -0.36 0.00 0.00 55.97 56.96 2p0p s LYS 51 Cb -0.84 -1.70 -0.14 0.00 -1.51 0.00 0.00 37.83 33.64 2p0p s LYS 51 CO 0.55 -2.93 0.35 0.43 -0.36 0.00 0.00 175.35 173.40 2p0p n SER 52 N -4.32 -1.74 -0.05 1.43 7.64 -1.16 -4.76 113.62 110.67 2p0p n SER 52 Ca 0.05 0.89 -0.00 0.00 1.01 0.00 0.00 58.87 60.82 2p0p n SER 52 Cb 0.56 -1.00 -0.00 0.00 -1.01 0.00 0.00 64.21 62.76 2p0p n SER 52 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2p0p h ARG 53 N 0.62 0.00 -0.24 1.43 3.08 -1.93 -3.43 114.38 113.92 2p0p h ARG 53 Ca -0.38 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.43 2p0p h ARG 53 Cb 1.42 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 31.25 2p0p h ARG 53 CO 0.50 0.00 -0.56 1.17 -1.07 0.00 0.00 179.97 180.01 2p0p n LYS 54 N -4.51 1.25 -0.17 0.04 4.81 -1.26 -5.11 118.16 113.21 2p0p n LYS 54 Ca -0.00 -2.12 0.00 0.00 -0.87 0.00 0.00 58.31 55.32 2p0p n LYS 54 Cb 0.00 -0.31 0.00 0.00 0.02 0.00 0.00 35.03 34.74 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 -0.65 0.00 -2.72 3.15 -2.24 -1.26 -5.09 114.28 105.47 2p0p n THR 55 Ca -0.02 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.65 2p0p n THR 55 Cb 0.85 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 69.10 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 -0.22 1.55 -3.67 3.42 7.64 -1.26 -4.80 113.62 116.27 2p0p n SER 56 Ca 0.00 -2.80 -0.15 0.00 1.01 0.00 0.00 58.87 56.93 2p0p n SER 56 Cb 0.00 -0.54 -0.15 0.00 -1.01 0.00 0.00 64.21 62.52 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 -3.16 -0.29 0.44 0.44 2.01 -1.26 -5.01 115.64 108.80 2p0p s THR 57 Ca 0.30 0.31 -0.23 0.00 0.31 0.00 0.00 61.69 62.38 2p0p s THR 57 Cb 0.44 -0.35 -0.08 0.00 0.01 0.00 0.00 72.50 72.52 2p0p s THR 57 CO 0.01 0.13 1.10 -0.63 -0.69 0.00 0.00 174.62 174.54 2p0p s ILE 58 N 2.22 3.46 0.20 1.82 1.01 -1.26 -2.96 121.20 125.69 2p0p s ILE 58 Ca 0.01 1.08 0.10 0.00 0.00 0.00 0.00 60.65 61.84 2p0p s ILE 58 Cb -0.12 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 2p0p s ILE 58 CO -0.07 -0.03 -0.14 -1.61 0.00 0.00 0.00 174.94 173.09 2p0p s GLU 59 N -2.66 1.88 -0.25 2.79 2.02 0.20 -4.98 118.70 117.70 2p0p s GLU 59 Ca 0.61 -1.41 -0.01 0.00 0.02 0.00 0.00 54.97 54.18 2p0p s GLU 59 Cb -0.24 -2.03 0.08 0.00 0.10 0.00 0.00 34.13 32.04 2p0p s GLU 59 CO 0.30 0.41 0.03 -1.21 0.02 0.00 0.00 175.26 174.80 2p0p s GLU 60 N -2.94 1.02 -0.22 1.61 2.02 -1.25 -0.67 118.70 118.26 2p0p s GLU 60 Ca 0.25 -0.90 -0.03 0.00 0.02 0.00 0.00 54.97 54.31 2p0p s GLU 60 Cb -0.08 -2.28 0.00 0.00 0.10 0.00 0.00 34.13 31.87 2p0p s GLU 60 CO 0.14 -0.76 -0.05 0.21 0.02 0.00 0.00 175.26 174.81 2p0p s LYS 61 N 1.58 3.25 0.16 1.61 2.20 -0.49 -4.94 119.74 123.10 2p0p s LYS 61 Ca 0.02 -0.70 -0.31 0.00 -0.36 0.00 0.00 55.97 54.62 2p0p s LYS 61 Cb -0.18 -2.98 -0.08 0.00 -1.51 0.00 0.00 37.83 33.08 2p0p s LYS 61 CO -0.13 -0.24 1.36 0.99 -0.36 0.00 0.00 175.35 176.97 2p0p s THR 62 N 1.44 3.23 0.01 3.43 2.01 -1.26 -0.40 115.64 124.09 2p0p s THR 62 Ca 0.05 0.94 -0.00 0.00 0.31 0.00 0.00 61.69 62.98 2p0p s THR 62 Cb -0.15 -3.60 -0.01 0.00 0.01 0.00 0.00 72.50 68.75 2p0p s THR 62 CO -0.04 0.10 -0.01 0.68 -0.69 0.00 0.00 174.62 174.66 2p0p s VAL 63 N 0.65 0.07 -0.16 3.82 -7.23 -0.03 -1.08 120.40 116.44 2p0p s VAL 63 Ca 0.61 -0.54 -0.13 0.00 -1.81 0.00 0.00 61.98 60.11 2p0p s VAL 63 Cb -0.37 -0.16 -0.05 0.00 0.56 0.00 0.00 36.38 36.36 2p0p s VAL 63 CO 0.34 -0.30 0.27 -0.70 -0.31 0.00 0.00 175.10 174.40 2p0p s GLU 64 N -0.87 4.21 -0.32 4.82 2.12 -0.39 -0.80 118.70 127.47 2p0p s GLU 64 Ca -0.10 0.05 -0.09 0.00 0.36 0.00 0.00 54.97 55.19 2p0p s GLU 64 Cb -0.06 -3.41 0.00 0.00 0.26 0.00 0.00 34.13 30.92 2p0p s GLU 64 CO -0.01 0.28 0.15 0.08 -0.54 0.00 0.00 175.26 175.22 2p0p s VAL 65 N 0.36 4.45 0.06 3.70 1.01 0.71 -0.63 120.40 130.05 2p0p s VAL 65 Ca 0.15 -0.58 0.09 0.00 0.00 0.00 0.00 61.98 61.64 2p0p s VAL 65 Cb -0.13 -3.32 -0.17 0.00 0.00 0.00 0.00 36.38 32.76 2p0p s VAL 65 CO 0.03 0.00 1.25 -0.07 0.00 0.00 0.00 175.10 176.32 2p0p h LEU 66 N 8.34 0.00 0.00 3.92 -0.00 -1.30 -1.17 115.31 125.10 2p0p h LEU 66 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.58 2p0p h LEU 66 Cb 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.79 2p0p h LEU 66 CO 0.62 0.91 0.00 0.61 -0.00 0.00 0.00 178.44 180.58 2p0p n GLY 67 N 1.35 -0.12 3.76 0.83 0.00 -1.25 -4.28 105.19 105.47 2p0p n GLY 67 Ca -0.01 -1.40 -0.35 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 -1.85 2.94 0.94 1.61 -1.94 -1.26 -0.91 119.30 118.83 2p0p s MET 68 Ca 0.00 1.61 -0.12 0.00 -1.71 0.00 0.00 55.69 55.47 2p0p s MET 68 Cb 0.00 -1.95 0.15 0.00 2.01 0.00 0.00 34.83 35.05 2p0p s MET 68 CO 0.00 -1.18 1.11 0.00 -0.01 0.00 0.00 175.02 174.94 2p0p s ALA 69 N -1.93 1.40 0.83 3.03 0.00 -0.24 -4.51 121.76 120.35 2p0p s ALA 69 Ca 0.72 -0.37 -0.15 0.00 0.00 0.00 0.00 51.96 52.17 2p0p s ALA 69 Cb -0.25 -3.10 -0.00 0.00 0.00 0.00 0.00 23.12 19.77 2p0p s ALA 69 CO 0.35 -2.50 0.49 -2.30 0.00 0.00 0.00 175.76 171.80 2p0p n PRO 70 N -3.94 0.04 -0.36 0.00 -0.02 -1.26 -4.64 135.00 124.82 2p0p n PRO 70 Ca 0.06 0.06 0.27 0.00 -2.02 0.00 0.00 63.50 61.87 2p0p n PRO 70 Cb 0.58 -1.87 0.53 0.00 -0.02 0.00 0.00 33.50 32.72 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 -0.93 0.42 0.05 2.55 3.58 -1.95 -1.13 116.42 119.01 2p0p h ASP 71 Ca -0.45 0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.13 2p0p h ASP 71 Cb 1.32 0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.44 2p0p h ASP 71 CO 0.39 -0.04 0.00 -0.78 -2.88 0.00 0.00 179.24 175.93 2p0p h ASP 72 N 0.31 0.00 0.00 2.28 3.58 -2.02 -2.60 116.42 117.97 2p0p h ASP 72 Ca 0.69 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.14 2p0p h ASP 72 Cb 1.82 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.87 2p0p h ASP 72 CO -0.41 0.00 -0.88 -0.62 -2.88 0.00 0.00 179.24 174.45 2p0p n GLU 73 N -3.01 2.08 0.00 0.28 1.02 -0.74 -4.65 120.64 115.63 2p0p n GLU 73 Ca -0.03 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.17 2p0p n GLU 73 Cb 0.08 -0.94 0.34 0.00 -0.02 0.00 0.00 31.44 30.90 2p0p n GLU 73 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2p0p n LEU 75 N -1.07 0.00 0.00 0.00 4.77 -0.99 -4.27 117.00 115.44 2p0p n LEU 75 Ca 0.08 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 2p0p n LEU 75 Cb 0.05 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 2p0p n LEU 75 CO 0.07 -0.11 -0.17 2.29 -1.33 0.00 0.00 177.39 178.14 2p0p n LYS 76 N -1.49 1.82 -3.63 3.23 2.85 -0.83 -4.36 118.16 115.74 2p0p n LYS 76 Ca 0.06 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.19 2p0p n LYS 76 Cb 0.26 -0.67 -0.06 0.00 -0.65 0.00 0.00 35.03 33.91 2p0p n LYS 76 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2p0p s ASP 77 N -1.49 -0.34 -1.33 -5.58 2.15 -1.16 -5.01 116.67 103.92 2p0p s ASP 77 Ca 0.00 0.05 -0.17 0.00 0.43 0.00 0.00 52.55 52.85 2p0p s ASP 77 Cb 0.00 0.45 0.07 0.00 -0.30 0.00 0.00 42.92 43.14 2p0p s ASP 77 CO 0.00 -0.69 1.82 0.23 -0.17 0.00 0.00 175.17 176.36 2p0p n MET 78 N 0.43 3.14 -2.65 4.34 2.81 -1.26 -3.95 117.12 119.99 2p0p n MET 78 Ca -0.18 -3.17 -0.32 0.00 -1.81 0.00 0.00 57.70 52.22 2p0p n MET 78 Cb 0.60 -3.45 -0.04 0.00 -0.71 0.00 0.00 33.22 29.62 2p0p n MET 78 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 2p0p s TYR 79 N 3.96 3.44 0.02 2.03 2.02 -1.26 -1.09 117.35 126.46 2p0p s TYR 79 Ca 0.52 1.33 0.02 0.00 -0.37 0.00 0.00 57.07 58.58 2p0p s TYR 79 Cb 0.06 -2.67 -0.02 0.00 -0.40 0.00 0.00 41.96 38.93 2p0p s TYR 79 CO 0.05 -0.22 -0.07 0.14 -1.57 0.00 0.00 175.55 173.88 2p0p s VAL 80 N -2.44 0.49 0.21 0.71 -7.23 0.30 -1.07 120.40 111.36 2p0p s VAL 80 Ca 0.56 -0.73 -0.28 0.00 -1.81 0.00 0.00 61.98 59.72 2p0p s VAL 80 Cb -0.10 -0.50 -0.09 0.00 0.56 0.00 0.00 36.38 36.25 2p0p s VAL 80 CO 0.28 -0.18 0.87 -1.61 -0.31 0.00 0.00 175.10 174.15 2p0p s GLU 81 N -0.99 4.74 0.00 4.82 2.02 -0.09 -0.60 118.70 128.60 2p0p s GLU 81 Ca -0.05 1.35 -0.01 0.00 0.02 0.00 0.00 54.97 56.28 2p0p s GLU 81 Cb -0.07 -3.27 -0.00 0.00 0.10 0.00 0.00 34.13 30.89 2p0p s GLU 81 CO 0.00 0.54 0.01 0.14 0.02 0.00 0.00 175.26 175.98 2p0p s VAL 82 N -1.17 0.04 -0.09 2.63 -7.23 -0.09 -0.92 120.40 113.56 2p0p s VAL 82 Ca 0.39 -0.34 0.01 0.00 -1.81 0.00 0.00 61.98 60.23 2p0p s VAL 82 Cb -0.25 -0.14 -0.02 0.00 0.56 0.00 0.00 36.38 36.53 2p0p s VAL 82 CO 0.30 -0.19 -0.11 0.00 -0.31 0.00 0.00 175.10 174.79 2p0p s ALA 83 N -0.55 2.77 -1.49 1.32 0.00 0.20 -0.37 121.76 123.63 2p0p s ALA 83 Ca -0.06 -0.91 -0.11 0.00 0.00 0.00 0.00 51.96 50.88 2p0p s ALA 83 Cb -0.04 -1.19 0.01 0.00 0.00 0.00 0.00 23.12 21.91 2p0p s ALA 83 CO -0.00 0.41 2.46 -3.47 0.00 0.00 0.00 175.76 175.16 2p0p n ASP 84 N 2.85 6.01 0.26 0.00 2.03 -1.22 -1.26 116.55 125.23 2p0p n ASP 84 Ca -0.18 -2.80 0.17 0.00 0.52 0.00 0.00 54.79 52.50 2p0p n ASP 84 Cb 0.53 -1.58 0.89 0.00 -0.72 0.00 0.00 41.12 40.23 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 3.52 0.00 -0.00 5.18 3.07 -1.84 0.24 117.51 127.67 2p0p h ILE 85 Ca 0.67 0.00 0.00 0.00 1.55 0.00 0.00 64.86 67.08 2p0p h ILE 85 Cb 0.49 0.73 0.00 0.00 -0.27 0.00 0.00 36.82 37.76 2p0p h ILE 85 CO 1.80 0.00 -0.09 0.61 -1.05 0.00 0.00 178.15 179.42 2p0p n GLY 86 N -1.19 -0.91 0.00 0.16 0.00 -0.24 -4.76 105.19 98.26 2p0p n GLY 86 Ca -0.02 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 1.25 0.04 0.31 -0.02 0.00 -0.10 -4.84 105.19 101.84 2p0p n GLY 87 Ca 0.15 0.31 0.02 0.00 0.00 0.00 0.00 46.02 46.50 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 0.64 0.00 1.61 1.79 -1.78 -3.46 116.57 115.37 2p0p h LYS 88 Ca 0.00 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 2p0p h LYS 88 Cb 0.00 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.52 2p0p h LYS 88 CO 0.00 0.48 0.00 -3.47 -1.08 0.00 0.00 179.45 175.38 2p0p n ASP 89 N -4.42 0.00 -0.34 0.86 2.03 0.64 -4.40 116.55 110.92 2p0p n ASP 89 Ca 0.04 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.38 2p0p n ASP 89 Cb 0.10 -0.17 0.09 0.00 -0.72 0.00 0.00 41.12 40.41 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 0.01 2.53 -4.19 1.67 2.03 -1.26 -4.75 116.55 112.59 2p0p n ASP 90 Ca 0.00 -2.08 -0.11 0.00 0.52 0.00 0.00 54.79 53.12 2p0p n ASP 90 Cb 0.00 -0.15 -0.10 0.00 -0.72 0.00 0.00 41.12 40.15 2p0p n ASP 90 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2p0p s ASP 91 N -1.11 0.75 0.04 1.67 2.15 -1.26 -5.12 116.67 113.79 2p0p s ASP 91 Ca 0.14 -1.18 0.02 0.00 0.43 0.00 0.00 52.55 51.97 2p0p s ASP 91 Cb 0.08 0.20 -0.02 0.00 -0.30 0.00 0.00 42.92 42.88 2p0p s ASP 91 CO 0.08 -0.64 -0.08 0.54 -0.17 0.00 0.00 175.17 174.90 2p0p s VAL 92 N -3.85 0.58 0.02 1.11 0.11 -1.26 -3.37 120.40 113.74 2p0p s VAL 92 Ca 0.23 -0.95 0.00 0.00 -2.93 0.00 0.00 61.98 58.33 2p0p s VAL 92 Cb 0.07 -0.61 -0.00 0.00 -1.53 0.00 0.00 36.38 34.31 2p0p s VAL 92 CO 0.02 -0.27 0.02 -1.22 -3.33 0.00 0.00 175.10 170.32 2p0p n TYR 93 N 1.72 -0.25 -4.43 1.54 4.01 0.50 -4.99 117.16 115.26 2p0p n TYR 93 Ca -0.21 -0.17 -0.24 0.00 -0.16 0.00 0.00 57.90 57.12 2p0p n TYR 93 Cb 0.55 0.03 -0.13 0.00 -0.31 0.00 0.00 39.34 39.48 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 -2.26 1.59 0.07 -0.72 2.01 -1.26 -0.92 115.64 114.15 2p0p s THR 94 Ca 0.02 -1.33 0.00 0.00 0.31 0.00 0.00 61.69 60.70 2p0p s THR 94 Cb 0.00 -1.42 -0.04 0.00 0.01 0.00 0.00 72.50 71.05 2p0p s THR 94 CO 0.02 0.04 -0.05 0.00 -0.69 0.00 0.00 174.62 173.94 2p0p s ALA 95 N -0.99 0.69 -0.09 7.40 0.00 0.23 -4.90 121.76 124.10 2p0p s ALA 95 Ca 0.06 -1.21 -0.29 0.00 0.00 0.00 0.00 51.96 50.51 2p0p s ALA 95 Cb -0.09 0.21 -0.02 0.00 0.00 0.00 0.00 23.12 23.22 2p0p s ALA 95 CO 0.03 -0.29 0.97 0.15 0.00 0.00 0.00 175.76 176.62 2p0p s LYS 96 N -3.64 4.44 0.40 0.00 1.02 -1.26 -0.54 119.74 120.15 2p0p s LYS 96 Ca 0.07 1.34 0.08 0.00 0.02 0.00 0.00 55.97 57.48 2p0p s LYS 96 Cb 0.05 -3.53 0.87 0.00 -0.52 0.00 0.00 37.83 34.70 2p0p s LYS 96 CO -0.07 -0.25 2.02 1.25 -0.92 0.00 0.00 175.35 177.38 2p0p h LEU 97 N 7.77 0.50 -1.32 3.17 5.85 -1.43 -1.03 115.31 128.82 2p0p h LEU 97 Ca -0.33 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.39 2p0p h LEU 97 Cb 1.16 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.08 2p0p h LEU 97 CO 0.83 0.34 0.31 0.28 -0.34 0.00 0.00 178.44 179.86 2p0p h SER 98 N 0.57 0.00 0.00 1.25 0.02 -1.92 -2.09 113.55 111.38 2p0p h SER 98 Ca 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 2p0p h SER 98 Cb 0.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.68 2p0p h SER 98 CO -0.06 0.00 -0.02 -0.67 -1.14 0.00 0.00 176.83 174.94 2p0p n ASP 99 N -2.40 1.81 -4.54 3.07 2.03 -0.39 -5.03 116.55 111.10 2p0p n ASP 99 Ca -0.01 -2.18 -0.27 0.00 0.52 0.00 0.00 54.79 52.85 2p0p n ASP 99 Cb 0.34 -0.12 -0.10 0.00 -0.72 0.00 0.00 41.12 40.53 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 -1.34 3.02 -0.20 5.18 1.01 -0.79 -1.17 121.20 126.92 2p0p s ILE 100 Ca 0.08 -1.72 0.01 0.00 0.00 0.00 0.00 60.65 59.02 2p0p s ILE 100 Cb 0.07 -2.48 0.02 0.00 0.01 0.00 0.00 42.46 40.08 2p0p s ILE 100 CO 0.01 -0.10 -0.17 -0.70 0.00 0.00 0.00 174.94 173.97 2p0p s GLU 101 N -2.77 2.89 0.24 2.79 2.12 -0.03 -4.90 118.70 119.04 2p0p s GLU 101 Ca 0.24 -0.90 -0.30 0.00 0.36 0.00 0.00 54.97 54.36 2p0p s GLU 101 Cb -0.09 -2.66 -0.09 0.00 0.26 0.00 0.00 34.13 31.55 2p0p s GLU 101 CO 0.14 -0.27 0.99 0.00 -0.54 0.00 0.00 175.26 175.57 2p0p s ALA 102 N 1.27 3.35 -0.01 6.30 0.00 -1.26 -0.61 121.76 130.81 2p0p s ALA 102 Ca 0.03 0.69 0.04 0.00 0.00 0.00 0.00 51.96 52.72 2p0p s ALA 102 Cb -0.14 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 19.72 2p0p s ALA 102 CO -0.11 0.09 -0.13 0.42 0.00 0.00 0.00 175.76 176.04 2p0p s ILE 103 N -1.08 1.00 -1.99 0.00 1.01 -0.26 -4.81 121.20 115.08 2p0p s ILE 103 Ca 0.42 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.54 2p0p s ILE 103 Cb -0.27 -0.84 0.00 0.00 0.01 0.00 0.00 42.46 41.36 2p0p s ILE 103 CO 0.34 0.28 0.00 -0.67 0.00 0.00 0.00 174.94 174.90 2p0p n ASP 104 N 2.79 -5.09 -4.82 3.58 2.03 -1.26 -3.76 116.55 110.02 2p0p n ASP 104 Ca -0.14 0.42 -0.30 0.00 0.52 0.00 0.00 54.79 55.29 2p0p n ASP 104 Cb 0.56 -4.51 0.08 0.00 -0.72 0.00 0.00 41.12 36.53 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 -2.66 3.33 0.69 5.18 -7.23 -1.26 -4.90 120.40 113.54 2p0p s VAL 105 Ca 0.00 0.43 -0.13 0.00 -1.81 0.00 0.00 61.98 60.47 2p0p s VAL 105 Cb 0.00 -3.21 0.01 0.00 0.56 0.00 0.00 36.38 33.74 2p0p s VAL 105 CO 0.00 -0.56 1.09 -0.62 -0.31 0.00 0.00 175.10 174.69 2p0p s ASP 106 N -3.94 5.09 0.21 4.85 2.15 -1.26 -4.84 116.67 118.93 2p0p s ASP 106 Ca 0.60 1.85 -0.09 0.00 0.43 0.00 0.00 52.55 55.34 2p0p s ASP 106 Cb -0.14 -2.53 0.25 0.00 -0.30 0.00 0.00 42.92 40.20 2p0p s ASP 106 CO 0.54 -1.64 1.81 -0.78 -0.17 0.00 0.00 175.17 174.93 2p0p h ASP 107 N -0.37 0.56 0.73 -0.34 3.58 -1.98 0.55 116.42 119.14 2p0p h ASP 107 Ca -0.45 0.03 -0.13 0.00 0.42 0.00 0.00 57.03 56.90 2p0p h ASP 107 Cb 1.23 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 42.18 2p0p h ASP 107 CO 0.54 0.36 -0.60 -0.78 -2.88 0.00 0.00 179.24 175.88 2p0p h ASP 108 N 0.70 0.00 0.05 2.28 3.58 -1.93 0.17 116.42 121.26 2p0p h ASP 108 Ca 0.30 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.75 2p0p h ASP 108 Cb 0.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.24 2p0p h ASP 108 CO -0.18 0.60 -0.03 0.74 -2.88 0.00 0.00 179.24 177.49 2p0p h THR 109 N 0.00 1.21 -0.41 2.25 2.02 -1.63 -2.02 112.91 114.34 2p0p h THR 109 Ca -0.01 -0.90 0.03 0.00 0.77 0.00 0.00 66.41 66.30 2p0p h THR 109 Cb 1.13 1.80 -0.03 0.00 -1.74 0.00 0.00 68.15 69.31 2p0p h THR 109 CO 0.08 0.22 0.20 -0.61 0.37 0.00 0.00 175.52 175.79 2p0p h GLN 110 N -0.47 0.40 -0.56 6.66 -0.00 -0.65 -1.80 115.11 118.68 2p0p h GLN 110 Ca -0.01 -0.02 -0.05 0.00 -0.00 0.00 0.00 58.65 58.57 2p0p h GLN 110 Cb 0.42 -0.09 -0.03 0.00 0.00 0.00 0.00 27.48 27.79 2p0p h GLN 110 CO 0.01 0.26 0.16 0.93 0.00 0.00 0.00 178.83 180.20 2p0p h GLU 111 N 0.41 0.84 -0.42 1.69 4.39 -1.00 0.82 114.58 121.32 2p0p h GLU 111 Ca 0.17 -0.16 -0.07 0.00 0.34 0.00 0.00 59.36 59.64 2p0p h GLU 111 Cb 0.08 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 2p0p h GLU 111 CO -0.12 0.74 -0.02 0.00 -1.16 0.00 0.00 179.01 178.45 2p0p h ALA 112 N 1.36 0.57 -0.25 3.43 0.00 -0.85 -0.11 119.26 123.40 2p0p h ALA 112 Ca 0.18 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2p0p h ALA 112 Cb 0.26 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2p0p h ALA 112 CO -0.01 0.37 0.06 0.82 0.00 0.00 0.00 179.25 180.49 2p0p h ILE 113 N 0.59 1.21 -0.69 0.00 2.04 -0.92 -1.68 117.51 118.06 2p0p h ILE 113 Ca 0.12 -0.69 0.02 0.00 1.00 0.00 0.00 64.86 65.30 2p0p h ILE 113 Cb 0.52 1.20 -0.04 0.00 -0.74 0.00 0.00 36.82 37.76 2p0p h ILE 113 CO 0.03 0.22 0.44 0.00 0.00 0.00 0.00 178.15 178.84 2p0p h ALA 114 N 0.88 0.89 -0.42 1.87 0.00 -0.74 -1.21 119.26 120.53 2p0p h ALA 114 Ca 0.08 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 2p0p h ALA 114 Cb 0.28 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2p0p h ALA 114 CO 0.00 0.23 -0.14 0.22 0.00 0.00 0.00 179.25 179.56 2p0p h ASP 115 N 0.87 0.77 -0.35 0.00 3.58 -0.83 0.65 116.42 121.12 2p0p h ASP 115 Ca 0.27 -0.25 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 2p0p h ASP 115 Cb -0.02 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 40.80 2p0p h ASP 115 CO -0.09 0.93 0.19 -0.25 -2.88 0.00 0.00 179.24 177.14 2p0p h TRP 116 N 0.70 0.48 -0.52 0.28 2.91 -0.98 -0.59 115.95 118.23 2p0p h TRP 116 Ca 0.11 -0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.11 2p0p h TRP 116 Cb 0.63 -0.15 -0.02 0.00 -0.51 0.00 0.00 29.16 29.10 2p0p h TRP 116 CO 0.03 0.38 0.27 -0.07 -1.03 0.00 0.00 178.44 178.02 2p0p h LEU 117 N 0.45 0.67 -0.61 0.65 3.38 -0.64 0.02 115.31 119.22 2p0p h LEU 117 Ca 0.12 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 2p0p h LEU 117 Cb 0.06 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 2p0p h LEU 117 CO -0.02 0.59 0.22 1.88 0.09 0.00 0.00 178.44 181.20 2p0p h TYR 118 N 0.70 0.96 -0.43 1.13 0.05 -0.79 -0.94 116.97 117.64 2p0p h TYR 118 Ca 0.18 -0.08 0.01 0.00 0.05 0.00 0.00 58.73 58.89 2p0p h TYR 118 Cb 0.08 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 37.52 2p0p h TYR 118 CO -0.01 0.77 0.28 2.35 -1.05 0.00 0.00 178.16 180.50 2p0p h TRP 119 N 0.86 0.53 -0.49 4.88 2.91 -0.73 0.75 115.95 124.67 2p0p h TRP 119 Ca 0.20 0.01 -0.09 0.00 1.13 0.00 0.00 58.89 60.14 2p0p h TRP 119 Cb 0.24 -0.18 -0.02 0.00 -0.51 0.00 0.00 29.16 28.69 2p0p h TRP 119 CO 0.01 0.33 -0.07 1.25 -1.03 0.00 0.00 178.44 178.94 2p0p h LEU 120 N 0.58 0.85 -0.60 0.65 5.85 -0.63 -0.10 115.31 121.90 2p0p h LEU 120 Ca 0.16 -0.25 -0.10 0.00 0.84 0.00 0.00 57.88 58.53 2p0p h LEU 120 Cb -0.06 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.72 2p0p h LEU 120 CO -0.04 0.95 -0.03 0.00 -0.34 0.00 0.00 178.44 178.99 2p0p h ALA 121 N 1.13 0.81 -0.54 1.25 0.00 -0.98 -2.24 119.26 118.69 2p0p h ALA 121 Ca 0.14 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.74 2p0p h ALA 121 Cb 0.57 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2p0p h ALA 121 CO 0.03 0.68 0.36 -0.09 0.00 0.00 0.00 179.25 180.23 2p0p h ARG 122 N 0.97 0.64 0.00 0.00 9.65 -0.35 -3.46 114.38 121.84 2p0p h ARG 122 Ca 0.17 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.01 2p0p h ARG 122 Cb 0.59 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.03 2p0p h ARG 122 CO 0.04 0.43 0.00 0.41 2.80 0.00 0.00 179.97 183.64 2p0p n GLY 123 N -1.46 4.50 3.41 2.80 0.00 -0.10 -4.93 105.19 109.41 2p0p n GLY 123 Ca 0.06 -0.91 -0.36 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.70 3.20 -2.60 1.61 9.36 -1.24 -4.52 117.16 121.27 2p0p n TYR 124 Ca 0.00 -2.05 -0.15 0.00 3.32 0.00 0.00 57.90 59.02 2p0p n TYR 124 Cb 0.00 -2.46 0.02 0.00 -0.63 0.00 0.00 39.34 36.27 2p0p n TYR 124 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2p0p n LYS 125 N 7.88 1.96 0.00 2.98 4.76 -1.26 -5.18 118.16 129.30 2p0p n LYS 125 Ca 0.48 -3.69 0.00 0.00 -2.87 0.00 0.00 58.31 52.23 2p0p n LYS 125 Cb 0.45 -1.61 0.00 0.00 -1.84 0.00 0.00 35.03 32.03 2p0p n LYS 125 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22