#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 1.10 0.00 3.17 0.00 -1.92 -3.46 119.26 118.14 2p0p h ALA 2 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2p0p h ALA 2 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.50 2p0p h ALA 2 CO 0.00 0.64 0.00 0.43 0.00 0.00 0.00 179.25 180.32 2p0p n SER 3 N -4.28 -4.95 0.09 0.00 7.64 -1.26 -4.81 113.62 106.05 2p0p n SER 3 Ca 0.06 0.00 0.15 0.00 1.01 0.00 0.00 58.87 60.10 2p0p n SER 3 Cb 0.19 -3.02 0.66 0.00 -1.01 0.00 0.00 64.21 61.04 2p0p n SER 3 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 2p0p h VAL 4 N 0.00 0.84 -3.71 0.44 3.04 -1.93 -3.39 116.25 111.54 2p0p h VAL 4 Ca 0.00 -0.01 -0.19 0.00 -1.01 0.00 0.00 66.70 65.49 2p0p h VAL 4 Cb 0.82 0.81 -0.24 0.00 -2.01 0.00 0.00 31.29 30.67 2p0p h VAL 4 CO 0.00 0.00 -0.64 -0.70 -1.01 0.00 0.00 177.57 175.22 2p0p s GLU 5 N -5.06 0.21 0.00 4.17 2.56 -1.26 -5.05 118.70 114.28 2p0p s GLU 5 Ca -0.05 -0.22 0.00 0.00 0.00 0.00 0.00 54.97 54.70 2p0p s GLU 5 Cb 0.19 0.08 0.00 0.00 2.00 0.00 0.00 34.13 36.40 2p0p s GLU 5 CO 0.71 -0.04 0.01 2.89 -0.56 0.00 0.00 175.26 178.27 2p0p n ARG 6 N 2.32 0.00 -4.53 4.30 1.85 -1.26 -4.94 116.66 114.40 2p0p n ARG 6 Ca -0.18 -0.01 -0.21 0.00 -1.00 0.00 0.00 57.85 56.45 2p0p n ARG 6 Cb 0.57 -0.30 -0.15 0.00 -1.05 0.00 0.00 32.46 31.54 2p0p n ARG 6 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2p0p s ASP 7 N 0.00 1.44 0.00 2.89 -1.08 -1.26 -5.06 116.67 113.60 2p0p s ASP 7 Ca 0.00 -0.22 0.21 0.00 -0.52 0.00 0.00 52.55 52.01 2p0p s ASP 7 Cb 0.00 -0.26 0.91 0.00 -1.46 0.00 0.00 42.92 42.11 2p0p s ASP 7 CO 0.00 0.12 1.67 -0.62 0.52 0.00 0.00 175.17 176.86 2p0p n GLU 8 N 2.99 0.04 -0.18 4.34 1.02 -1.26 -3.95 120.64 123.65 2p0p n GLU 8 Ca -0.16 0.14 -0.01 0.00 -0.02 0.00 0.00 57.16 57.11 2p0p n GLU 8 Cb 0.55 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.55 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 0.63 -0.39 2.62 2.02 -1.99 0.15 112.91 115.95 2p0p h THR 9 Ca 0.00 -0.06 -0.05 0.00 0.77 0.00 0.00 66.41 67.06 2p0p h THR 9 Cb 0.34 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 2p0p h THR 9 CO 0.00 0.03 0.02 0.03 0.37 0.00 0.00 175.52 175.98 2p0p h ARG 10 N 0.19 0.60 -0.39 6.66 -0.00 -2.00 0.93 114.38 120.37 2p0p h ARG 10 Ca 0.28 -0.13 -0.13 0.00 -0.50 0.00 0.00 59.98 59.50 2p0p h ARG 10 Cb 0.42 -0.09 -0.01 0.00 0.00 0.00 0.00 29.97 30.29 2p0p h ARG 10 CO -0.41 0.61 -0.28 0.93 0.00 0.00 0.00 179.97 180.82 2p0p h GLU 11 N 0.57 0.87 -0.60 0.04 5.08 -1.39 -0.60 114.58 118.55 2p0p h GLU 11 Ca 0.12 -0.42 -0.05 0.00 -1.00 0.00 0.00 59.36 58.01 2p0p h GLU 11 Cb 0.33 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 2p0p h GLU 11 CO 0.01 1.07 0.18 0.45 -1.00 0.00 0.00 179.01 179.71 2p0p h HIS 12 N 0.68 0.99 0.05 4.33 3.86 -0.54 -2.14 115.15 122.38 2p0p h HIS 12 Ca 0.07 -0.11 -0.00 0.00 -1.16 0.00 0.00 60.37 59.18 2p0p h HIS 12 Cb 0.86 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 29.05 2p0p h HIS 12 CO 0.06 0.82 -0.02 0.00 0.86 0.00 0.00 177.93 179.65 2p0p h ARG 13 N 0.87 -0.07 -0.82 2.45 2.47 -0.67 -2.01 114.38 116.59 2p0p h ARG 13 Ca 0.19 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.90 2p0p h ARG 13 Cb 0.31 0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.60 2p0p h ARG 13 CO -0.00 0.22 0.44 0.97 0.56 0.00 0.00 179.97 182.16 2p0p h ILE 14 N -0.36 1.24 -0.91 2.04 2.10 -1.11 -0.26 117.51 120.26 2p0p h ILE 14 Ca -0.01 -0.62 0.08 0.00 1.08 0.00 0.00 64.86 65.40 2p0p h ILE 14 Cb 0.32 0.15 -0.06 0.00 -1.09 0.00 0.00 36.82 36.14 2p0p h ILE 14 CO 0.01 0.28 0.59 -0.08 -1.08 0.00 0.00 178.15 177.87 2p0p h GLU 15 N 1.15 0.94 -0.50 2.19 4.57 -1.32 -0.45 114.58 121.16 2p0p h GLU 15 Ca 0.29 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.41 2p0p h GLU 15 Cb 0.04 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.42 2p0p h GLU 15 CO -0.04 0.62 0.00 0.25 -1.18 0.00 0.00 179.01 178.66 2p0p n THR 16 N -4.52 0.80 0.00 0.32 -2.24 -0.51 -3.43 114.28 104.70 2p0p n THR 16 Ca 0.15 -0.90 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 2p0p n THR 16 Cb 0.26 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 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 1.27 0.89 0.00 -0.78 2.13 -0.23 -4.87 120.64 119.06 2p0p n GLU 17 Ca 0.19 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.01 2p0p n GLU 17 Cb 0.55 -0.58 0.00 0.00 0.27 0.00 0.00 31.44 31.69 2p0p n GLU 17 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 2p0p n ILE 18 N -0.70 0.00 -1.82 6.31 5.41 -0.20 -4.78 119.36 123.59 2p0p n ILE 18 Ca 0.00 0.00 0.06 0.00 1.00 0.00 0.00 62.75 63.81 2p0p n ILE 18 Cb 0.07 -0.82 0.16 0.00 -0.71 0.00 0.00 39.64 38.34 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 -2.04 1.67 -0.11 1.39 -0.00 -1.13 -4.72 119.36 114.41 2p0p n ILE 19 Ca 0.00 -2.69 0.13 0.00 -0.00 0.00 0.00 62.75 60.18 2p0p n ILE 19 Cb 0.47 0.06 0.49 0.00 -0.00 0.00 0.00 39.64 40.67 2p0p n ILE 19 CO 0.00 0.00 0.00 -0.37 -0.00 0.00 0.00 176.55 176.18 2p0p h VAL 20 N 2.47 0.88 -0.46 7.28 -1.51 -1.81 -2.82 116.25 120.27 2p0p h VAL 20 Ca -0.06 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 65.27 2p0p h VAL 20 Cb 1.22 0.40 0.00 0.00 -2.13 0.00 0.00 31.29 30.78 2p0p h VAL 20 CO 0.02 0.08 0.00 -0.67 -1.23 0.00 0.00 177.57 175.77 2p0p n ASP 21 N -4.47 3.05 -4.01 4.19 2.03 -1.26 -4.91 116.55 111.17 2p0p n ASP 21 Ca 0.11 -1.95 -0.18 0.00 0.52 0.00 0.00 54.79 53.28 2p0p n ASP 21 Cb 0.41 -0.31 -0.15 0.00 -0.72 0.00 0.00 41.12 40.35 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 -1.39 0.71 0.00 -1.67 0.00 -1.07 -5.04 121.76 113.30 2p0p s ALA 22 Ca 0.38 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.98 2p0p s ALA 22 Cb 0.21 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.14 2p0p s ALA 22 CO 0.29 0.17 0.23 0.39 0.00 0.00 0.00 175.76 176.83 2p0p n GLU 23 N 2.89 -0.04 -4.05 0.00 1.02 -1.26 -4.87 120.64 114.32 2p0p n GLU 23 Ca -0.14 -0.25 -0.12 0.00 -0.02 0.00 0.00 57.16 56.63 2p0p n GLU 23 Cb 0.57 -0.62 -0.11 0.00 -0.02 0.00 0.00 31.44 31.26 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 -0.05 0.79 0.41 1.62 2.15 -1.26 -5.05 116.67 115.27 2p0p s ASP 24 Ca 0.00 -0.55 0.15 0.00 0.43 0.00 0.00 52.55 52.58 2p0p s ASP 24 Cb 0.00 0.04 1.02 0.00 -0.30 0.00 0.00 42.92 43.68 2p0p s ASP 24 CO 0.00 -0.22 1.87 0.07 -0.17 0.00 0.00 175.17 176.72 2p0p h LYS 25 N 4.48 0.46 -0.30 4.34 2.10 -1.96 0.17 116.57 125.87 2p0p h LYS 25 Ca -0.35 -0.03 -0.05 0.00 -2.00 0.00 0.00 60.65 58.21 2p0p h LYS 25 Cb 1.20 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 32.42 2p0p h LYS 25 CO 0.41 0.30 -0.03 0.93 -2.00 0.00 0.00 179.45 179.07 2p0p h GLU 26 N 0.47 0.55 -0.59 0.07 5.08 -1.95 0.02 114.58 118.22 2p0p h GLU 26 Ca 0.45 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.54 2p0p h GLU 26 Cb 1.01 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 2p0p h GLU 26 CO -0.18 0.71 0.06 0.93 -1.00 0.00 0.00 179.01 179.53 2p0p h GLU 27 N 0.33 1.00 0.00 2.33 5.08 -1.60 -2.68 114.58 119.04 2p0p h GLU 27 Ca 0.08 -0.29 -0.11 0.00 -1.00 0.00 0.00 59.36 58.05 2p0p h GLU 27 Cb 0.48 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2p0p h GLU 27 CO 0.02 0.96 -0.51 0.00 -1.00 0.00 0.00 179.01 178.48 2p0p h ARG 28 N 0.90 0.00 -0.72 2.33 3.08 -0.87 -0.39 114.38 118.71 2p0p h ARG 28 Ca 0.17 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.21 2p0p h ARG 28 Cb 0.47 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 2p0p h ARG 28 CO 0.02 0.51 0.39 0.00 -1.07 0.00 0.00 179.97 179.82 2p0p h ALA 29 N 1.49 0.93 -0.27 0.04 0.00 -0.78 -1.00 119.26 119.67 2p0p h ALA 29 Ca -0.01 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 2p0p h ALA 29 Cb 0.97 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2p0p h ALA 29 CO 0.07 0.45 -0.32 0.52 0.00 0.00 0.00 179.25 179.96 2p0p h MET 30 N 1.00 0.57 0.08 0.00 2.86 -1.03 0.23 114.93 118.64 2p0p h MET 30 Ca 0.25 -0.25 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2p0p h MET 30 Cb 0.05 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.69 2p0p h MET 30 CO -0.04 0.82 -0.04 0.78 1.06 0.00 0.00 176.91 179.49 2p0p h GLY 31 N 1.03 -0.11 0.50 8.32 0.00 -0.80 -0.06 103.07 111.95 2p0p h GLY 31 Ca 0.06 0.04 0.04 0.00 0.00 0.00 0.00 47.33 47.46 2p0p h GLY 31 CO 0.07 -0.04 -0.15 1.49 0.00 0.00 0.00 176.54 177.90 2p0p h TRP 32 N -0.11 -0.39 -0.13 5.60 4.06 -1.08 -2.84 115.95 121.06 2p0p h TRP 32 Ca -0.01 0.02 0.03 0.00 2.06 0.00 0.00 58.89 60.98 2p0p h TRP 32 Cb 0.09 0.19 -0.02 0.00 -1.00 0.00 0.00 29.16 28.41 2p0p h TRP 32 CO -0.07 -0.22 -0.03 -0.92 -3.56 0.00 0.00 178.44 173.64 2p0p h TYR 33 N -0.20 -0.06 0.26 0.49 5.03 -0.71 -0.90 116.97 120.87 2p0p h TYR 33 Ca 0.08 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.41 2p0p h TYR 33 Cb 0.32 0.05 -0.02 0.00 1.55 0.00 0.00 36.73 38.62 2p0p h TYR 33 CO -0.25 -0.05 -0.29 -0.92 -1.32 0.00 0.00 178.16 175.32 2p0p h TYR 34 N 0.00 -0.79 -0.21 -3.82 3.20 -0.93 0.06 116.97 114.49 2p0p h TYR 34 Ca 0.06 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.79 2p0p h TYR 34 Cb 0.09 0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 2p0p h TYR 34 CO -0.17 -0.42 -0.49 0.10 -1.64 0.00 0.00 178.16 175.54 2p0p h TYR 35 N -0.60 0.69 0.35 -3.82 -0.00 -1.41 -2.32 116.97 109.86 2p0p h TYR 35 Ca -0.00 -0.23 -0.02 0.00 -0.00 0.00 0.00 58.73 58.48 2p0p h TYR 35 Cb 0.56 -0.14 0.00 0.00 -0.00 0.00 0.00 36.73 37.16 2p0p h TYR 35 CO -0.20 0.94 -0.17 1.25 -0.00 0.00 0.00 178.16 179.98 2p0p h LEU 36 N 0.44 -0.40 -1.12 0.10 5.85 -0.90 -0.96 115.31 118.33 2p0p h LEU 36 Ca 0.02 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.67 2p0p h LEU 36 Cb 1.02 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.11 2p0p h LEU 36 CO 0.09 -0.17 0.55 -0.78 -0.34 0.00 0.00 178.44 177.80 2p0p h ASP 37 N -0.62 1.00 0.34 1.25 3.58 -1.00 0.73 116.42 121.70 2p0p h ASP 37 Ca -0.05 -0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.34 2p0p h ASP 37 Cb 0.45 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 41.24 2p0p h ASP 37 CO 0.08 0.75 -0.11 -0.78 -2.88 0.00 0.00 179.24 176.29 2p0p h ASP 38 N 1.17 0.00 0.25 2.28 3.58 -1.26 -3.18 116.42 119.26 2p0p h ASP 38 Ca 0.31 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 57.43 2p0p h ASP 38 Cb -0.10 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 40.90 2p0p h ASP 38 CO -0.06 0.11 -2.01 0.41 -2.88 0.00 0.00 179.24 174.81 2p0p n THR 39 N -3.67 1.58 -1.67 2.25 -1.04 -0.09 -4.89 114.28 106.75 2p0p n THR 39 Ca -0.02 -0.76 -0.44 0.00 -2.04 0.00 0.00 64.05 60.79 2p0p n THR 39 Cb 0.23 -1.08 -0.04 0.00 -1.82 0.00 0.00 70.33 67.62 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 -3.09 3.87 -2.03 -4.42 4.77 0.05 -4.38 117.00 111.78 2p0p n LEU 40 Ca -0.27 0.95 -0.13 0.00 -0.03 0.00 0.00 56.01 56.54 2p0p n LEU 40 Cb 1.07 -1.48 -0.14 0.00 -2.33 0.00 0.00 43.42 40.54 2p0p n LEU 40 CO 0.42 0.09 1.57 -0.62 -1.33 0.00 0.00 177.39 177.52 2p0p n GLU 41 N 6.55 1.98 -1.37 3.23 -0.58 -1.26 -4.96 120.64 124.22 2p0p n GLU 41 Ca 0.20 -1.11 -0.33 0.00 -0.42 0.00 0.00 57.16 55.50 2p0p n GLU 41 Cb 0.36 -1.95 0.09 0.00 -0.57 0.00 0.00 31.44 29.38 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 0.56 2.15 0.65 -0.32 -0.12 -1.26 -4.42 117.98 115.21 2p0p s PHE 42 Ca 0.61 1.62 -0.15 0.00 -0.05 0.00 0.00 56.93 58.95 2p0p s PHE 42 Cb 0.31 -3.35 -0.01 0.00 -0.63 0.00 0.00 43.02 39.34 2p0p s PHE 42 CO -0.03 -2.37 1.11 -1.25 -0.05 0.00 0.00 175.22 172.63 2p0p s PRO 43 N -4.15 2.85 0.00 1.99 0.04 -1.26 -5.03 135.00 129.45 2p0p s PRO 43 Ca 0.70 1.40 0.00 0.00 0.04 0.00 0.00 61.00 63.14 2p0p s PRO 43 Cb -0.25 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.33 2p0p s PRO 43 CO 0.47 -1.21 0.00 1.97 0.04 0.00 0.00 177.00 178.27 2p0p n PHE 44 N -2.33 -0.15 -4.28 0.56 -1.74 -0.35 -5.00 117.46 104.17 2p0p n PHE 44 Ca 0.10 0.00 -0.15 0.00 -0.56 0.00 0.00 57.45 56.84 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 -1.37 1.26 0.23 3.97 0.23 -1.26 -0.18 119.30 122.19 2p0p s MET 45 Ca 0.00 -1.65 -0.16 0.00 -1.03 0.00 0.00 55.69 52.86 2p0p s MET 45 Cb 0.00 -0.30 0.06 0.00 -1.53 0.00 0.00 34.83 33.06 2p0p s MET 45 CO 0.00 -0.20 0.78 0.41 -2.03 0.00 0.00 175.02 173.98 2p0p n GLY 46 N -0.36 0.90 3.25 3.16 0.00 -0.06 -1.21 105.19 110.87 2p0p n GLY 46 Ca -0.03 -1.16 -0.34 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.06 3.22 -0.53 1.61 2.47 0.29 -0.95 119.74 123.79 2p0p s LYS 47 Ca 0.17 -0.73 -0.28 0.00 -1.56 0.00 0.00 55.97 53.57 2p0p s LYS 47 Cb -0.03 -2.73 0.02 0.00 -1.46 0.00 0.00 37.83 33.63 2p0p s LYS 47 CO 0.07 -0.10 1.33 -0.46 0.16 0.00 0.00 175.35 176.36 2p0p s TRP 48 N 1.12 2.43 -0.13 4.03 -0.11 0.41 -0.96 118.94 125.73 2p0p s TRP 48 Ca 0.01 0.52 -0.04 0.00 1.22 0.00 0.00 56.10 57.81 2p0p s TRP 48 Cb -0.14 -4.41 -0.12 0.00 -1.50 0.00 0.00 33.47 27.30 2p0p s TRP 48 CO -0.04 -1.81 3.08 1.63 -4.62 0.00 0.00 176.95 175.18 2p0p n LYS 49 N 8.42 1.94 -1.68 5.86 4.76 -0.27 -1.44 118.16 135.75 2p0p n LYS 49 Ca 0.12 -1.23 -0.52 0.00 -2.87 0.00 0.00 58.31 53.82 2p0p n LYS 49 Cb 0.49 -1.87 -0.06 0.00 -1.84 0.00 0.00 35.03 31.76 2p0p n LYS 49 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2p0p n LYS 50 N 1.81 1.76 0.03 1.97 4.81 0.23 -4.51 118.16 124.26 2p0p n LYS 50 Ca 0.37 0.64 0.12 0.00 -0.87 0.00 0.00 58.31 58.57 2p0p n LYS 50 Cb 0.75 -2.46 0.17 0.00 0.02 0.00 0.00 35.03 33.51 2p0p n LYS 50 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2p0p n LYS 51 N 6.37 0.16 0.00 1.64 4.81 -1.26 -0.29 118.16 129.58 2p0p n LYS 51 Ca 0.25 0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.72 2p0p n LYS 51 Cb 0.24 -1.58 0.00 0.00 0.02 0.00 0.00 35.03 33.70 2p0p n LYS 51 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 2p0p n SER 52 N -1.80 0.05 -4.71 3.14 7.64 -1.26 -4.17 113.62 112.52 2p0p n SER 52 Ca 0.04 -0.61 -0.34 0.00 1.01 0.00 0.00 58.87 58.97 2p0p n SER 52 Cb 0.39 -0.03 0.11 0.00 -1.01 0.00 0.00 64.21 63.68 2p0p n SER 52 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2p0p s ARG 53 N -1.83 1.86 0.35 1.43 3.52 -1.26 -4.90 118.95 118.13 2p0p s ARG 53 Ca 0.00 1.80 0.08 0.00 -0.13 0.00 0.00 55.73 57.48 2p0p s ARG 53 Cb 0.00 -1.80 0.80 0.00 -1.56 0.00 0.00 34.95 32.39 2p0p s ARG 53 CO 0.00 -2.05 1.87 -0.22 -0.81 0.00 0.00 175.30 174.08 2p0p h LYS 54 N -0.59 0.69 -0.00 5.12 3.64 -1.92 -0.34 116.57 123.17 2p0p h LYS 54 Ca -0.47 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2p0p h LYS 54 Cb 1.30 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 2p0p h LYS 54 CO 0.48 0.46 -0.01 0.25 -2.27 0.00 0.00 179.45 178.36 2p0p n THR 55 N -4.57 0.00 -1.15 1.00 -2.24 -1.26 -4.91 114.28 101.15 2p0p n THR 55 Ca 0.18 -0.07 -0.06 0.00 -2.27 0.00 0.00 64.05 61.83 2p0p n THR 55 Cb 0.46 -0.21 -0.03 0.00 -2.10 0.00 0.00 70.33 68.46 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 -0.69 -5.67 -4.78 3.42 7.64 -0.14 -4.99 113.62 108.41 2p0p n SER 56 Ca 0.22 0.15 -0.36 0.00 1.01 0.00 0.00 58.87 59.89 2p0p n SER 56 Cb 0.19 -3.80 -0.02 0.00 -1.01 0.00 0.00 64.21 59.57 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 -1.49 3.29 0.43 0.44 2.01 -1.26 -4.87 115.64 114.19 2p0p s THR 57 Ca 0.00 0.92 -0.26 0.00 0.31 0.00 0.00 61.69 62.67 2p0p s THR 57 Cb 0.00 -3.45 -0.08 0.00 0.01 0.00 0.00 72.50 68.98 2p0p s THR 57 CO 0.00 -0.06 1.34 -0.63 -0.69 0.00 0.00 174.62 174.59 2p0p s ILE 58 N -1.65 2.44 0.12 1.82 -1.09 -1.26 -4.17 121.20 117.41 2p0p s ILE 58 Ca 0.65 0.39 0.07 0.00 -2.23 0.00 0.00 60.65 59.52 2p0p s ILE 58 Cb -0.25 -3.23 -0.04 0.00 -1.58 0.00 0.00 42.46 37.36 2p0p s ILE 58 CO 0.31 0.05 -0.17 -1.61 -1.23 0.00 0.00 174.94 172.29 2p0p s GLU 59 N -2.34 1.08 -0.25 2.79 2.02 0.61 -4.98 118.70 117.62 2p0p s GLU 59 Ca 0.59 -1.22 -0.00 0.00 0.02 0.00 0.00 54.97 54.36 2p0p s GLU 59 Cb -0.40 -1.12 0.07 0.00 0.10 0.00 0.00 34.13 32.79 2p0p s GLU 59 CO 0.51 0.23 0.01 -1.21 0.02 0.00 0.00 175.26 174.82 2p0p s GLU 60 N -2.37 1.18 -0.22 1.61 2.02 -1.26 -0.60 118.70 119.07 2p0p s GLU 60 Ca 0.08 -0.96 -0.04 0.00 0.02 0.00 0.00 54.97 54.07 2p0p s GLU 60 Cb -0.07 -2.40 -0.01 0.00 0.10 0.00 0.00 34.13 31.75 2p0p s GLU 60 CO 0.04 -0.73 -0.04 0.21 0.02 0.00 0.00 175.26 174.76 2p0p s LYS 61 N 1.50 3.38 0.15 1.61 2.20 -0.52 -4.94 119.74 123.12 2p0p s LYS 61 Ca 0.00 -0.62 -0.31 0.00 -0.36 0.00 0.00 55.97 54.68 2p0p s LYS 61 Cb -0.18 -3.01 -0.08 0.00 -1.51 0.00 0.00 37.83 33.05 2p0p s LYS 61 CO -0.11 -0.19 1.34 0.99 -0.36 0.00 0.00 175.35 177.02 2p0p s THR 62 N 1.47 3.31 0.02 3.43 2.01 -1.26 -0.44 115.64 124.17 2p0p s THR 62 Ca 0.06 1.00 0.01 0.00 0.31 0.00 0.00 61.69 63.06 2p0p s THR 62 Cb -0.14 -3.64 -0.01 0.00 0.01 0.00 0.00 72.50 68.72 2p0p s THR 62 CO -0.03 0.11 -0.03 0.68 -0.69 0.00 0.00 174.62 174.65 2p0p s VAL 63 N 0.65 0.18 -0.19 3.82 -7.23 -0.13 -1.07 120.40 116.44 2p0p s VAL 63 Ca 0.61 -0.65 -0.14 0.00 -1.81 0.00 0.00 61.98 59.99 2p0p s VAL 63 Cb -0.36 -0.26 -0.04 0.00 0.56 0.00 0.00 36.38 36.27 2p0p s VAL 63 CO 0.34 -0.30 0.32 -0.70 -0.31 0.00 0.00 175.10 174.45 2p0p s GLU 64 N -0.99 4.18 -0.40 4.82 2.12 -0.45 -0.88 118.70 127.10 2p0p s GLU 64 Ca -0.09 0.08 -0.15 0.00 0.36 0.00 0.00 54.97 55.17 2p0p s GLU 64 Cb -0.07 -3.50 0.01 0.00 0.26 0.00 0.00 34.13 30.83 2p0p s GLU 64 CO -0.00 0.07 0.31 0.08 -0.54 0.00 0.00 175.26 175.18 2p0p s VAL 65 N 0.99 5.23 0.23 3.70 1.01 0.74 -0.76 120.40 131.54 2p0p s VAL 65 Ca 0.16 -0.50 0.09 0.00 0.00 0.00 0.00 61.98 61.73 2p0p s VAL 65 Cb -0.14 -3.91 -0.08 0.00 0.00 0.00 0.00 36.38 32.26 2p0p s VAL 65 CO 0.06 -0.27 1.52 -0.07 0.00 0.00 0.00 175.10 176.34 2p0p h LEU 66 N 8.68 0.02 0.00 3.92 4.07 -1.23 -0.93 115.31 129.84 2p0p h LEU 66 Ca -0.28 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.67 2p0p h LEU 66 Cb 1.13 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.86 2p0p h LEU 66 CO 0.72 0.74 0.00 0.61 -1.08 0.00 0.00 178.44 179.43 2p0p n GLY 67 N 0.55 -1.46 3.74 0.83 0.00 -1.25 -4.15 105.19 103.45 2p0p n GLY 67 Ca -0.01 -1.52 -0.36 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.73 2.68 1.11 1.61 -1.94 -1.26 -1.20 119.30 118.58 2p0p s MET 68 Ca 0.00 1.85 -0.14 0.00 -1.71 0.00 0.00 55.69 55.68 2p0p s MET 68 Cb 0.00 -1.89 0.24 0.00 2.01 0.00 0.00 34.83 35.19 2p0p s MET 68 CO 0.00 -1.44 1.07 0.00 -0.01 0.00 0.00 175.02 174.64 2p0p s ALA 69 N -1.67 0.39 0.24 3.03 0.00 -0.37 -4.42 121.76 118.97 2p0p s ALA 69 Ca 0.77 -0.46 -0.30 0.00 0.00 0.00 0.00 51.96 51.98 2p0p s ALA 69 Cb -0.31 -3.09 -0.15 0.00 0.00 0.00 0.00 23.12 19.57 2p0p s ALA 69 CO 0.38 -3.35 1.09 -2.30 0.00 0.00 0.00 175.76 171.58 2p0p n PRO 70 N -4.57 1.31 0.13 0.00 -0.02 -1.26 -4.87 135.00 125.73 2p0p n PRO 70 Ca 0.06 0.46 0.14 0.00 -2.02 0.00 0.00 63.50 62.14 2p0p n PRO 70 Cb 0.57 -1.90 0.67 0.00 -0.02 0.00 0.00 33.50 32.82 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 2.71 0.00 0.05 2.55 2.03 -1.96 -1.69 116.42 120.11 2p0p h ASP 71 Ca -0.41 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 55.88 2p0p h ASP 71 Cb 1.34 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.84 2p0p h ASP 71 CO 0.66 0.00 -0.04 -0.78 -1.03 0.00 0.00 179.24 178.05 2p0p h ASP 72 N 0.00 0.00 0.97 4.15 3.58 -2.02 -1.03 116.42 122.06 2p0p h ASP 72 Ca 0.12 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.40 2p0p h ASP 72 Cb 0.50 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.52 2p0p h ASP 72 CO -0.00 0.04 -1.10 -0.33 -2.88 0.00 0.00 179.24 174.96 2p0p h GLU 73 N 0.00 0.00 -0.86 0.28 5.08 -1.67 -3.38 114.58 114.03 2p0p h GLU 73 Ca -0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 2p0p h GLU 73 Cb 0.07 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 2p0p h GLU 73 CO 0.00 0.48 0.06 0.00 -1.00 0.00 0.00 179.01 178.56 2p0p n LEU 75 N 0.16 0.00 0.00 0.00 7.99 -1.22 -4.05 117.00 119.89 2p0p n LEU 75 Ca 0.15 0.39 0.00 0.00 -0.01 0.00 0.00 56.01 56.54 2p0p n LEU 75 Cb 0.74 -0.39 0.00 0.00 -0.11 0.00 0.00 43.42 43.66 2p0p n LEU 75 CO 0.17 -0.18 -0.05 2.29 -1.51 0.00 0.00 177.39 178.11 2p0p n LYS 76 N -1.39 0.91 -3.66 3.23 2.85 -1.26 -4.64 118.16 114.21 2p0p n LYS 76 Ca 0.06 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.17 2p0p n LYS 76 Cb 0.15 -0.55 -0.08 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 -1.09 -0.40 -1.15 -5.58 2.15 -1.26 -5.09 116.67 104.25 2p0p s ASP 77 Ca 0.00 0.39 -0.21 0.00 0.43 0.00 0.00 52.55 53.16 2p0p s ASP 77 Cb 0.00 0.44 0.02 0.00 -0.30 0.00 0.00 42.92 43.08 2p0p s ASP 77 CO 0.00 -0.50 1.72 -0.04 -0.17 0.00 0.00 175.17 176.18 2p0p s MET 78 N -1.19 3.44 0.52 4.34 -1.94 -1.26 -4.30 119.30 118.90 2p0p s MET 78 Ca -0.12 -1.40 -0.17 0.00 -1.71 0.00 0.00 55.69 52.29 2p0p s MET 78 Cb -0.03 -5.38 -0.08 0.00 2.01 0.00 0.00 34.83 31.36 2p0p s MET 78 CO 0.06 -2.69 1.00 0.71 -0.01 0.00 0.00 175.02 174.10 2p0p s TYR 79 N 6.36 3.29 0.02 -0.03 2.02 -1.26 -1.07 117.35 126.67 2p0p s TYR 79 Ca 0.56 1.51 0.02 0.00 -0.37 0.00 0.00 57.07 58.79 2p0p s TYR 79 Cb 0.01 -2.87 -0.01 0.00 -0.40 0.00 0.00 41.96 38.68 2p0p s TYR 79 CO 0.03 -0.53 -0.07 0.14 -1.57 0.00 0.00 175.55 173.55 2p0p s VAL 80 N -2.46 0.50 0.21 0.71 -7.23 0.25 -1.23 120.40 111.14 2p0p s VAL 80 Ca 0.61 -0.67 -0.26 0.00 -1.81 0.00 0.00 61.98 59.85 2p0p s VAL 80 Cb -0.12 -0.50 -0.08 0.00 0.56 0.00 0.00 36.38 36.24 2p0p s VAL 80 CO 0.28 -0.13 0.83 -1.61 -0.31 0.00 0.00 175.10 174.17 2p0p s GLU 81 N -0.87 4.62 -0.01 4.82 2.02 -0.34 -0.74 118.70 128.20 2p0p s GLU 81 Ca -0.04 1.24 -0.02 0.00 0.02 0.00 0.00 54.97 56.16 2p0p s GLU 81 Cb -0.06 -3.19 0.00 0.00 0.10 0.00 0.00 34.13 30.98 2p0p s GLU 81 CO 0.00 0.52 0.05 0.14 0.02 0.00 0.00 175.26 175.99 2p0p s VAL 82 N -1.23 0.03 -0.09 2.63 -7.23 -0.09 -0.80 120.40 113.62 2p0p s VAL 82 Ca 0.39 -0.27 -0.00 0.00 -1.81 0.00 0.00 61.98 60.29 2p0p s VAL 82 Cb -0.23 -0.17 -0.03 0.00 0.56 0.00 0.00 36.38 36.51 2p0p s VAL 82 CO 0.27 -0.15 -0.08 0.00 -0.31 0.00 0.00 175.10 174.83 2p0p s ALA 83 N -0.45 2.90 -1.50 1.32 0.00 0.06 -0.41 121.76 123.68 2p0p s ALA 83 Ca -0.05 -0.88 -0.11 0.00 0.00 0.00 0.00 51.96 50.91 2p0p s ALA 83 Cb -0.03 -1.27 0.00 0.00 0.00 0.00 0.00 23.12 21.82 2p0p s ALA 83 CO 0.00 0.44 2.52 -3.47 0.00 0.00 0.00 175.76 175.25 2p0p n ASP 84 N 2.72 6.34 0.28 0.00 2.03 -1.21 -1.34 116.55 125.36 2p0p n ASP 84 Ca -0.18 -2.78 0.18 0.00 0.52 0.00 0.00 54.79 52.53 2p0p n ASP 84 Cb 0.53 -1.58 0.95 0.00 -0.72 0.00 0.00 41.12 40.30 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 3.45 0.00 -0.00 5.18 3.07 -1.84 0.24 117.51 127.61 2p0p h ILE 85 Ca 0.69 0.00 0.00 0.00 1.55 0.00 0.00 64.86 67.10 2p0p h ILE 85 Cb 0.46 0.77 0.00 0.00 -0.27 0.00 0.00 36.82 37.79 2p0p h ILE 85 CO 1.79 0.00 -0.08 0.61 -1.05 0.00 0.00 178.15 179.42 2p0p n GLY 86 N -1.17 -0.88 0.00 0.16 0.00 -0.23 -4.75 105.19 98.32 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 1.23 0.12 0.31 -0.02 0.00 -0.09 -4.85 105.19 101.90 2p0p n GLY 87 Ca 0.16 0.29 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 0.65 0.00 1.61 1.79 -1.79 -3.46 116.57 115.38 2p0p h LYS 88 Ca 0.00 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 2p0p h LYS 88 Cb 0.00 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.51 2p0p h LYS 88 CO 0.00 0.46 0.00 -3.47 -1.08 0.00 0.00 179.45 175.36 2p0p n ASP 89 N -4.43 0.00 -0.61 0.86 2.03 0.65 -4.44 116.55 110.61 2p0p n ASP 89 Ca 0.04 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.41 2p0p n ASP 89 Cb 0.08 -0.11 0.13 0.00 -0.72 0.00 0.00 41.12 40.50 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 2.71 -4.20 1.67 2.03 -1.26 -4.74 116.55 112.77 2p0p n ASP 90 Ca 0.00 -1.87 -0.12 0.00 0.52 0.00 0.00 54.79 53.32 2p0p n ASP 90 Cb 0.00 -0.18 -0.10 0.00 -0.72 0.00 0.00 41.12 40.12 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 0.83 0.04 1.67 2.15 -1.26 -5.11 116.67 113.99 2p0p s ASP 91 Ca 0.21 -1.18 0.04 0.00 0.43 0.00 0.00 52.55 52.05 2p0p s ASP 91 Cb 0.12 0.19 -0.02 0.00 -0.30 0.00 0.00 42.92 42.91 2p0p s ASP 91 CO 0.16 -0.64 -0.12 -0.69 -0.17 0.00 0.00 175.17 173.71 2p0p s VAL 92 N -3.82 0.94 0.11 1.11 1.01 -1.26 -3.31 120.40 115.18 2p0p s VAL 92 Ca 0.23 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 61.21 2p0p s VAL 92 Cb 0.07 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.55 2p0p s VAL 92 CO 0.03 -0.12 0.10 -1.22 0.00 0.00 0.00 175.10 173.89 2p0p n TYR 93 N 1.75 -0.31 -4.53 5.22 4.01 0.46 -4.99 117.16 118.77 2p0p n TYR 93 Ca -0.19 -0.91 -0.26 0.00 -0.16 0.00 0.00 57.90 56.37 2p0p n TYR 93 Cb 0.55 0.10 -0.14 0.00 -0.31 0.00 0.00 39.34 39.55 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 -2.46 1.86 0.06 -0.72 2.01 -1.26 -0.91 115.64 114.22 2p0p s THR 94 Ca 0.13 -1.43 0.00 0.00 0.31 0.00 0.00 61.69 60.70 2p0p s THR 94 Cb 0.01 -1.63 -0.04 0.00 0.01 0.00 0.00 72.50 70.84 2p0p s THR 94 CO 0.09 0.13 -0.05 0.00 -0.69 0.00 0.00 174.62 174.10 2p0p s ALA 95 N -0.95 0.62 0.03 7.40 0.00 0.09 -4.91 121.76 124.03 2p0p s ALA 95 Ca 0.09 -1.12 -0.30 0.00 0.00 0.00 0.00 51.96 50.62 2p0p s ALA 95 Cb -0.10 0.19 -0.05 0.00 0.00 0.00 0.00 23.12 23.17 2p0p s ALA 95 CO 0.03 -0.26 1.13 0.15 0.00 0.00 0.00 175.76 176.81 2p0p s LYS 96 N -3.29 4.47 0.46 0.00 3.01 -1.26 -0.59 119.74 122.53 2p0p s LYS 96 Ca 0.04 1.65 0.11 0.00 -1.01 0.00 0.00 55.97 56.75 2p0p s LYS 96 Cb 0.03 -3.40 1.03 0.00 -1.01 0.00 0.00 37.83 34.49 2p0p s LYS 96 CO -0.06 -0.20 2.10 1.25 0.51 0.00 0.00 175.35 178.95 2p0p h LEU 97 N 6.88 0.27 -0.72 3.17 5.85 -1.42 -1.13 115.31 128.21 2p0p h LEU 97 Ca -0.41 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.30 2p0p h LEU 97 Cb 1.21 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.18 2p0p h LEU 97 CO 0.80 0.20 0.19 -1.20 -0.34 0.00 0.00 178.44 178.08 2p0p n SER 98 N -4.50 0.28 -0.08 1.25 7.64 -1.26 -1.73 113.62 115.22 2p0p n SER 98 Ca 0.00 0.54 0.04 0.00 1.01 0.00 0.00 58.87 60.46 2p0p n SER 98 Cb 0.07 -0.52 0.05 0.00 -1.01 0.00 0.00 64.21 62.80 2p0p n SER 98 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2p0p n ASP 99 N -1.88 1.68 -4.36 6.43 2.03 -0.43 -5.04 116.55 114.97 2p0p n ASP 99 Ca -0.01 -2.27 -0.23 0.00 0.52 0.00 0.00 54.79 52.81 2p0p n ASP 99 Cb 0.21 -0.17 -0.11 0.00 -0.72 0.00 0.00 41.12 40.32 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 -1.45 1.97 -0.15 5.18 1.01 -0.71 -1.11 121.20 125.94 2p0p s ILE 100 Ca 0.11 -1.99 0.00 0.00 0.00 0.00 0.00 60.65 58.77 2p0p s ILE 100 Cb 0.10 -1.95 0.03 0.00 0.01 0.00 0.00 42.46 40.65 2p0p s ILE 100 CO 0.01 -0.30 -0.13 -0.70 0.00 0.00 0.00 174.94 173.82 2p0p s GLU 101 N -2.87 2.19 0.28 2.79 2.12 -0.13 -4.91 118.70 118.16 2p0p s GLU 101 Ca 0.18 -0.58 -0.29 0.00 0.36 0.00 0.00 54.97 54.65 2p0p s GLU 101 Cb -0.06 -2.11 -0.09 0.00 0.26 0.00 0.00 34.13 32.13 2p0p s GLU 101 CO 0.08 -0.27 1.02 0.00 -0.54 0.00 0.00 175.26 175.55 2p0p s ALA 102 N 1.49 3.34 -0.00 6.30 0.00 -1.26 -0.54 121.76 131.09 2p0p s ALA 102 Ca 0.04 0.74 0.04 0.00 0.00 0.00 0.00 51.96 52.79 2p0p s ALA 102 Cb -0.13 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 2p0p s ALA 102 CO -0.10 0.01 -0.14 0.42 0.00 0.00 0.00 175.76 175.95 2p0p s ILE 103 N -1.24 1.07 -1.38 0.00 1.01 -0.35 -4.86 121.20 115.45 2p0p s ILE 103 Ca 0.45 -0.64 -0.09 0.00 0.00 0.00 0.00 60.65 60.37 2p0p s ILE 103 Cb -0.28 -0.91 0.06 0.00 0.01 0.00 0.00 42.46 41.34 2p0p s ILE 103 CO 0.35 0.25 0.57 -0.67 0.00 0.00 0.00 174.94 175.44 2p0p n ASP 104 N 2.61 -4.47 -4.86 3.58 2.03 -1.26 -4.00 116.55 110.19 2p0p n ASP 104 Ca -0.15 -0.40 -0.21 0.00 0.52 0.00 0.00 54.79 54.55 2p0p n ASP 104 Cb 0.55 -3.65 -0.04 0.00 -0.72 0.00 0.00 41.12 37.27 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 -3.03 2.76 0.64 5.18 0.11 -1.26 -4.88 120.40 119.92 2p0p s VAL 105 Ca 0.40 -1.38 -0.17 0.00 -2.93 0.00 0.00 61.98 57.90 2p0p s VAL 105 Cb -0.20 -3.02 -0.01 0.00 -1.53 0.00 0.00 36.38 31.61 2p0p s VAL 105 CO 0.49 -0.03 1.18 -0.62 -3.33 0.00 0.00 175.10 172.79 2p0p s ASP 106 N -4.09 4.97 0.24 3.54 2.15 -1.26 -4.80 116.67 117.42 2p0p s ASP 106 Ca 0.46 2.27 -0.05 0.00 0.43 0.00 0.00 52.55 55.66 2p0p s ASP 106 Cb -0.03 -2.58 0.36 0.00 -0.30 0.00 0.00 42.92 40.37 2p0p s ASP 106 CO 0.27 -1.74 1.83 -0.78 -0.17 0.00 0.00 175.17 174.58 2p0p h ASP 107 N 0.41 0.74 0.76 -0.34 3.58 -1.99 0.02 116.42 119.59 2p0p h ASP 107 Ca -0.49 0.03 -0.12 0.00 0.42 0.00 0.00 57.03 56.88 2p0p h ASP 107 Cb 1.28 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 42.20 2p0p h ASP 107 CO 0.54 0.45 -0.56 -0.78 -2.88 0.00 0.00 179.24 176.00 2p0p h ASP 108 N 0.86 0.00 0.04 2.28 3.58 -1.93 0.34 116.42 121.59 2p0p h ASP 108 Ca 0.38 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.83 2p0p h ASP 108 Cb 0.28 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.33 2p0p h ASP 108 CO -0.21 0.56 -0.02 0.74 -2.88 0.00 0.00 179.24 177.43 2p0p h THR 109 N 0.00 1.30 -0.53 2.25 2.02 -1.58 -2.04 112.91 114.33 2p0p h THR 109 Ca -0.01 -1.16 0.03 0.00 0.77 0.00 0.00 66.41 66.04 2p0p h THR 109 Cb 1.09 2.06 -0.04 0.00 -1.74 0.00 0.00 68.15 69.53 2p0p h THR 109 CO 0.07 0.29 0.31 -0.61 0.37 0.00 0.00 175.52 175.96 2p0p h GLN 110 N -0.57 0.60 -0.65 6.66 -0.00 -0.79 -1.36 115.11 119.00 2p0p h GLN 110 Ca -0.01 -0.04 -0.07 0.00 -0.00 0.00 0.00 58.65 58.54 2p0p h GLN 110 Cb 0.52 -0.13 -0.03 0.00 0.00 0.00 0.00 27.48 27.84 2p0p h GLN 110 CO 0.01 0.39 0.14 0.93 0.00 0.00 0.00 178.83 180.31 2p0p h GLU 111 N 0.61 1.03 -0.51 1.69 4.39 -0.99 0.71 114.58 121.52 2p0p h GLU 111 Ca 0.22 -0.24 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 2p0p h GLU 111 Cb 0.04 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.53 2p0p h GLU 111 CO -0.11 0.92 0.12 0.00 -1.16 0.00 0.00 179.01 178.79 2p0p h ALA 112 N 1.17 0.67 -0.18 3.43 0.00 -0.77 0.33 119.26 123.91 2p0p h ALA 112 Ca 0.20 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2p0p h ALA 112 Cb 0.37 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2p0p h ALA 112 CO 0.00 0.36 0.01 0.82 0.00 0.00 0.00 179.25 180.44 2p0p h ILE 113 N 0.70 1.25 -0.76 0.00 2.04 -1.00 -1.76 117.51 117.98 2p0p h ILE 113 Ca 0.16 -0.83 0.03 0.00 1.00 0.00 0.00 64.86 65.22 2p0p h ILE 113 Cb 0.33 1.44 -0.05 0.00 -0.74 0.00 0.00 36.82 37.81 2p0p h ILE 113 CO 0.00 0.25 0.49 0.00 0.00 0.00 0.00 178.15 178.89 2p0p h ALA 114 N 0.79 1.00 -0.30 1.87 0.00 -0.74 -1.71 119.26 120.15 2p0p h ALA 114 Ca 0.05 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 2p0p h ALA 114 Cb 0.37 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2p0p h ALA 114 CO 0.01 0.29 -0.27 0.22 0.00 0.00 0.00 179.25 179.50 2p0p h ASP 115 N 0.95 0.62 -0.26 0.00 3.58 -0.75 0.10 116.42 120.67 2p0p h ASP 115 Ca 0.30 -0.23 -0.00 0.00 0.42 0.00 0.00 57.03 57.52 2p0p h ASP 115 Cb 0.00 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 40.87 2p0p h ASP 115 CO -0.11 0.87 0.16 -0.25 -2.88 0.00 0.00 179.24 177.03 2p0p h TRP 116 N 0.53 0.34 -0.40 0.28 2.91 -0.99 -0.11 115.95 118.51 2p0p h TRP 116 Ca 0.07 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.08 2p0p h TRP 116 Cb 0.74 -0.11 -0.02 0.00 -0.51 0.00 0.00 29.16 29.26 2p0p h TRP 116 CO 0.03 0.25 0.21 -0.07 -1.03 0.00 0.00 178.44 177.83 2p0p h LEU 117 N 0.33 0.51 -0.44 0.65 3.38 -0.77 -0.52 115.31 118.44 2p0p h LEU 117 Ca 0.09 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2p0p h LEU 117 Cb 0.00 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2p0p h LEU 117 CO -0.02 0.47 0.18 1.88 0.09 0.00 0.00 178.44 181.04 2p0p h TYR 118 N 0.51 0.67 -0.25 1.13 0.05 -0.73 -1.39 116.97 116.97 2p0p h TYR 118 Ca 0.14 -0.05 0.02 0.00 0.05 0.00 0.00 58.73 58.89 2p0p h TYR 118 Cb 0.08 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 37.60 2p0p h TYR 118 CO -0.02 0.58 0.11 2.35 -1.05 0.00 0.00 178.16 180.13 2p0p h TRP 119 N 0.57 0.20 -0.58 4.88 2.91 -0.77 0.60 115.95 123.77 2p0p h TRP 119 Ca 0.15 0.01 -0.04 0.00 1.13 0.00 0.00 58.89 60.14 2p0p h TRP 119 Cb 0.19 -0.06 -0.03 0.00 -0.51 0.00 0.00 29.16 28.76 2p0p h TRP 119 CO 0.00 0.11 0.20 1.25 -1.03 0.00 0.00 178.44 178.98 2p0p h LEU 120 N 0.24 0.83 -0.71 0.65 5.85 -0.83 -1.17 115.31 120.18 2p0p h LEU 120 Ca 0.10 -0.19 -0.10 0.00 0.84 0.00 0.00 57.88 58.53 2p0p h LEU 120 Cb 0.04 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 2p0p h LEU 120 CO -0.08 0.80 -0.13 0.00 -0.34 0.00 0.00 178.44 178.69 2p0p h ALA 121 N 1.06 0.90 0.00 1.25 0.00 -1.11 -2.83 119.26 118.53 2p0p h ALA 121 Ca 0.19 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2p0p h ALA 121 Cb 0.25 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2p0p h ALA 121 CO -0.01 0.63 -0.20 -0.09 0.00 0.00 0.00 179.25 179.58 2p0p h ARG 122 N 0.77 0.00 0.00 0.00 9.65 -0.23 -3.46 114.38 121.11 2p0p h ARG 122 Ca 0.12 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.00 2p0p h ARG 122 Cb 0.64 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.22 2p0p h ARG 122 CO 0.04 0.20 0.00 0.41 2.80 0.00 0.00 179.97 183.42 2p0p n GLY 123 N -0.55 3.20 2.77 2.80 0.00 -0.50 -5.00 105.19 107.91 2p0p n GLY 123 Ca -0.02 -0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 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 2.64 -0.07 1.61 9.36 -1.21 -4.56 117.16 124.93 2p0p n TYR 124 Ca 0.00 -2.53 -0.12 0.00 3.32 0.00 0.00 57.90 58.57 2p0p n TYR 124 Cb 0.00 -2.19 0.01 0.00 -0.63 0.00 0.00 39.34 36.52 2p0p n TYR 124 CO 0.00 0.00 0.00 0.87 0.22 0.00 0.00 176.86 177.95 2p0p h LYS 125 N 6.47 0.80 0.00 2.98 1.57 -1.92 -3.53 116.57 122.95 2p0p h LYS 125 Ca 0.56 -0.45 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2p0p h LYS 125 Cb 0.55 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2p0p h LYS 125 CO 1.85 1.08 0.00 1.97 -0.57 0.00 0.00 179.45 183.79