#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 2.13 0.00 -5.12 0.00 -1.85 -2.30 119.26 112.12 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 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2p0p h ALA 2 CO 0.00 -0.35 0.12 0.43 0.00 0.00 0.00 179.25 179.45 2p0p n SER 3 N -4.48 0.09 0.25 0.00 7.64 -1.26 -1.36 113.62 114.51 2p0p n SER 3 Ca 0.15 0.44 0.14 0.00 1.01 0.00 0.00 58.87 60.62 2p0p n SER 3 Cb 0.56 -0.45 0.82 0.00 -1.01 0.00 0.00 64.21 64.13 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 0.64 0.00 0.44 3.04 -1.77 -3.40 116.25 115.20 2p0p h VAL 4 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2p0p h VAL 4 Cb 0.24 0.95 0.00 0.00 -2.01 0.00 0.00 31.29 30.47 2p0p h VAL 4 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.57 175.94 2p0p n GLU 5 N -4.04 0.00 -4.45 4.17 1.02 -0.61 -5.06 120.64 111.66 2p0p n GLU 5 Ca -0.01 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.72 2p0p n GLU 5 Cb 0.17 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.52 2p0p n GLU 5 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2p0p n ARG 6 N -3.03 -1.39 -3.70 3.49 0.63 -0.46 -4.95 116.66 107.25 2p0p n ARG 6 Ca 0.00 0.20 -0.12 0.00 -0.92 0.00 0.00 57.85 57.01 2p0p n ARG 6 Cb 0.00 -4.79 -0.12 0.00 0.45 0.00 0.00 32.46 28.00 2p0p n ARG 6 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2p0p s ASP 7 N -3.30 -0.21 0.06 6.15 -1.08 -1.26 -5.04 116.67 112.00 2p0p s ASP 7 Ca 0.79 0.66 0.13 0.00 -0.52 0.00 0.00 52.55 53.61 2p0p s ASP 7 Cb -0.45 0.61 0.58 0.00 -1.46 0.00 0.00 42.92 42.19 2p0p s ASP 7 CO 1.00 -0.19 1.42 -1.84 0.52 0.00 0.00 175.17 176.08 2p0p n GLU 8 N 4.52 0.04 -0.13 4.34 0.28 -1.26 -2.75 120.64 125.68 2p0p n GLU 8 Ca -0.20 0.36 0.11 0.00 -0.16 0.00 0.00 57.16 57.27 2p0p n GLU 8 Cb 0.53 -1.59 0.46 0.00 1.43 0.00 0.00 31.44 32.27 2p0p n GLU 8 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 2p0p h THR 9 N 0.00 0.90 0.32 3.84 2.02 -1.98 -1.39 112.91 116.62 2p0p h THR 9 Ca 0.00 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 2p0p h THR 9 Cb 0.20 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 66.96 2p0p h THR 9 CO 0.00 0.09 -0.17 0.03 0.37 0.00 0.00 175.52 175.84 2p0p h ARG 10 N 0.50 -0.45 -0.30 6.66 2.47 -1.95 0.82 114.38 122.13 2p0p h ARG 10 Ca 0.31 0.03 0.04 0.00 -1.26 0.00 0.00 59.98 59.10 2p0p h ARG 10 Cb 0.56 0.10 -0.04 0.00 -1.65 0.00 0.00 29.97 28.94 2p0p h ARG 10 CO -0.10 -0.30 0.08 0.93 0.56 0.00 0.00 179.97 181.15 2p0p h GLU 11 N -0.46 0.20 -0.11 0.04 3.07 -1.67 -0.90 114.58 114.75 2p0p h GLU 11 Ca -0.04 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 2p0p h GLU 11 Cb 0.37 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.23 2p0p h GLU 11 CO 0.06 0.13 0.07 1.25 -1.40 0.00 0.00 179.01 179.12 2p0p h HIS 12 N 0.20 0.15 -0.18 4.33 -0.00 -1.04 -1.59 115.15 117.02 2p0p h HIS 12 Ca 0.14 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.45 2p0p h HIS 12 Cb 0.13 -0.05 -0.00 0.00 -0.00 0.00 0.00 27.41 27.49 2p0p h HIS 12 CO -0.15 0.12 -0.12 0.00 -0.00 0.00 0.00 177.93 177.77 2p0p h ARG 13 N 0.13 0.40 -0.93 5.26 2.47 -0.66 -2.17 114.38 118.88 2p0p h ARG 13 Ca 0.04 -0.19 0.01 0.00 -1.26 0.00 0.00 59.98 58.58 2p0p h ARG 13 Cb 0.01 -0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.28 2p0p h ARG 13 CO -0.01 0.73 0.61 0.97 0.56 0.00 0.00 179.97 182.83 2p0p h ILE 14 N 0.07 1.24 -0.38 2.04 2.10 -1.10 -0.00 117.51 121.47 2p0p h ILE 14 Ca 0.04 -0.45 0.01 0.00 1.08 0.00 0.00 64.86 65.54 2p0p h ILE 14 Cb 0.63 -0.12 -0.02 0.00 -1.09 0.00 0.00 36.82 36.22 2p0p h ILE 14 CO 0.03 0.24 0.25 -0.08 -1.08 0.00 0.00 178.15 177.51 2p0p h GLU 15 N 1.26 0.46 -0.32 2.19 4.81 -1.22 -0.61 114.58 121.16 2p0p h GLU 15 Ca 0.34 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 2p0p h GLU 15 Cb -0.13 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.15 2p0p h GLU 15 CO -0.07 0.30 0.00 0.25 -0.73 0.00 0.00 179.01 178.76 2p0p n THR 16 N -4.48 0.47 0.00 0.32 -2.24 -0.32 -3.25 114.28 104.78 2p0p n THR 16 Ca 0.03 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 2p0p n THR 16 Cb 0.10 0.99 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 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 1.26 0.44 0.00 -0.78 -0.58 -0.17 -4.92 120.64 115.90 2p0p n GLU 17 Ca 0.16 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 2p0p n GLU 17 Cb 0.54 -0.69 0.00 0.00 -0.57 0.00 0.00 31.44 30.72 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 -1.65 0.00 -1.21 -3.67 5.41 -0.28 -4.80 119.36 113.16 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 0.19 -0.55 0.19 0.00 -0.71 0.00 0.00 39.64 38.76 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 -2.26 2.16 -0.29 1.39 -5.35 -0.93 -4.65 119.36 109.44 2p0p n ILE 19 Ca 0.00 -2.43 0.06 0.00 -0.27 0.00 0.00 62.75 60.11 2p0p n ILE 19 Cb 0.45 -0.26 0.28 0.00 -1.74 0.00 0.00 39.64 38.36 2p0p n ILE 19 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 2p0p h VAL 20 N 0.80 1.01 0.00 7.28 2.07 -1.77 -1.06 116.25 124.58 2p0p h VAL 20 Ca 0.04 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.24 2p0p h VAL 20 Cb 1.23 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2p0p h VAL 20 CO 0.12 0.17 -0.14 -0.78 0.02 0.00 0.00 177.57 176.96 2p0p h ASP 21 N 0.94 0.00 -4.07 0.57 3.58 -1.88 -3.47 116.42 112.09 2p0p h ASP 21 Ca 0.40 -0.05 -0.46 0.00 0.42 0.00 0.00 57.03 57.34 2p0p h ASP 21 Cb 0.31 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.38 2p0p h ASP 21 CO -0.16 0.02 0.38 0.00 -2.88 0.00 0.00 179.24 176.60 2p0p s ALA 22 N -3.12 2.91 0.00 -0.78 0.00 -0.40 -4.96 121.76 115.41 2p0p s ALA 22 Ca 0.09 0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.62 2p0p s ALA 22 Cb 0.12 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 20.01 2p0p s ALA 22 CO 0.63 -0.21 0.03 0.39 0.00 0.00 0.00 175.76 176.60 2p0p n GLU 23 N -0.87 1.27 -3.92 0.00 1.02 -1.26 -4.97 120.64 111.90 2p0p n GLU 23 Ca 0.09 -0.03 -0.10 0.00 -0.02 0.00 0.00 57.16 57.10 2p0p n GLU 23 Cb 0.53 -0.26 -0.10 0.00 -0.02 0.00 0.00 31.44 31.59 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 -0.19 0.14 0.50 1.62 -1.08 -1.26 -5.06 116.67 111.35 2p0p s ASP 24 Ca 0.00 -0.42 0.26 0.00 -0.52 0.00 0.00 52.55 51.87 2p0p s ASP 24 Cb 0.00 0.20 1.35 0.00 -1.46 0.00 0.00 42.92 43.00 2p0p s ASP 24 CO 0.00 -0.43 1.90 0.07 0.52 0.00 0.00 175.17 177.24 2p0p h LYS 25 N 4.04 0.12 -0.21 4.34 -0.00 -1.97 -0.00 116.57 122.87 2p0p h LYS 25 Ca -0.32 -0.01 -0.14 0.00 -0.00 0.00 0.00 60.65 60.18 2p0p h LYS 25 Cb 1.19 -0.03 0.00 0.00 -0.00 0.00 0.00 32.23 33.40 2p0p h LYS 25 CO 0.46 0.08 -0.41 0.93 -0.00 0.00 0.00 179.45 180.50 2p0p h GLU 26 N 0.12 0.66 -0.23 0.07 5.08 -1.95 -1.71 114.58 116.62 2p0p h GLU 26 Ca 0.40 -0.42 -0.12 0.00 -1.00 0.00 0.00 59.36 58.22 2p0p h GLU 26 Cb 1.40 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.69 2p0p h GLU 26 CO -0.06 1.04 -0.37 0.93 -1.00 0.00 0.00 179.01 179.55 2p0p h GLU 27 N 0.35 0.51 -0.87 2.33 4.39 -1.46 -1.69 114.58 118.13 2p0p h GLU 27 Ca 0.01 -0.24 0.02 0.00 0.34 0.00 0.00 59.36 59.49 2p0p h GLU 27 Cb 1.01 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.61 2p0p h GLU 27 CO 0.09 0.81 0.57 -0.09 -1.16 0.00 0.00 179.01 179.23 2p0p h ARG 28 N 0.43 1.09 -0.67 2.33 1.12 -1.01 -0.98 114.38 116.69 2p0p h ARG 28 Ca 0.04 -0.07 -0.06 0.00 -1.11 0.00 0.00 59.98 58.79 2p0p h ARG 28 Cb 0.84 -0.25 -0.03 0.00 -0.01 0.00 0.00 29.97 30.53 2p0p h ARG 28 CO 0.07 0.72 0.20 0.00 -3.11 0.00 0.00 179.97 177.85 2p0p h ALA 29 N 1.35 1.08 -0.64 2.80 0.00 -0.57 -1.75 119.26 121.53 2p0p h ALA 29 Ca 0.34 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2p0p h ALA 29 Cb -0.05 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 2p0p h ALA 29 CO -0.10 0.62 0.34 0.52 0.00 0.00 0.00 179.25 180.63 2p0p h MET 30 N 1.00 0.90 0.05 0.00 2.86 -0.66 0.38 114.93 119.46 2p0p h MET 30 Ca 0.22 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 2p0p h MET 30 Cb 0.30 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.79 2p0p h MET 30 CO -0.01 0.69 -0.03 0.78 1.06 0.00 0.00 176.91 179.41 2p0p h GLY 31 N 0.87 -0.08 0.71 8.32 0.00 -0.82 0.30 103.07 112.38 2p0p h GLY 31 Ca 0.22 0.03 0.03 0.00 0.00 0.00 0.00 47.33 47.61 2p0p h GLY 31 CO -0.03 -0.03 0.03 1.49 0.00 0.00 0.00 176.54 178.00 2p0p h TRP 32 N -0.19 0.04 -0.29 5.60 4.06 -1.27 -2.81 115.95 121.09 2p0p h TRP 32 Ca -0.01 0.01 0.02 0.00 2.06 0.00 0.00 58.89 60.98 2p0p h TRP 32 Cb 0.17 0.01 -0.03 0.00 -1.00 0.00 0.00 29.16 28.31 2p0p h TRP 32 CO -0.04 0.00 0.13 -0.92 -3.56 0.00 0.00 178.44 174.06 2p0p h TYR 33 N 0.11 0.24 0.50 0.49 3.20 -0.70 -1.95 116.97 118.87 2p0p h TYR 33 Ca 0.10 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 2p0p h TYR 33 Cb 0.11 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.31 2p0p h TYR 33 CO -0.16 0.13 -0.30 -0.92 -1.64 0.00 0.00 178.16 175.27 2p0p h TYR 34 N 0.28 -0.78 -0.30 -3.82 3.20 -0.75 0.32 116.97 115.13 2p0p h TYR 34 Ca 0.12 -0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.85 2p0p h TYR 34 Cb 0.05 0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 2p0p h TYR 34 CO -0.11 -0.46 -0.37 0.10 -1.64 0.00 0.00 178.16 175.69 2p0p h TYR 35 N -0.75 0.80 0.10 -3.82 -0.00 -1.50 -2.35 116.97 109.44 2p0p h TYR 35 Ca -0.06 -0.22 -0.00 0.00 -0.00 0.00 0.00 58.73 58.44 2p0p h TYR 35 Cb 0.61 -0.17 0.00 0.00 -0.00 0.00 0.00 36.73 37.17 2p0p h TYR 35 CO -0.08 0.95 -0.05 1.25 -0.00 0.00 0.00 178.16 180.22 2p0p h LEU 36 N 0.56 -0.11 -1.15 0.10 5.85 -1.12 -0.98 115.31 118.45 2p0p h LEU 36 Ca 0.05 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.53 2p0p h LEU 36 Cb 0.89 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.91 2p0p h LEU 36 CO 0.08 0.18 0.50 -0.78 -0.34 0.00 0.00 178.44 178.09 2p0p h ASP 37 N -0.42 0.95 0.47 1.25 3.58 -0.96 0.79 116.42 122.08 2p0p h ASP 37 Ca -0.01 -0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.36 2p0p h ASP 37 Cb 0.35 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 41.16 2p0p h ASP 37 CO 0.02 0.71 -0.17 -0.78 -2.88 0.00 0.00 179.24 176.15 2p0p h ASP 38 N 1.10 0.00 0.14 2.28 3.58 -1.24 -3.26 116.42 119.03 2p0p h ASP 38 Ca 0.29 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 57.38 2p0p h ASP 38 Cb -0.08 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 40.93 2p0p h ASP 38 CO -0.06 0.17 -2.09 0.41 -2.88 0.00 0.00 179.24 174.79 2p0p n THR 39 N -3.64 1.67 -1.67 2.25 -1.04 -0.30 -4.92 114.28 106.62 2p0p n THR 39 Ca -0.01 -0.67 -0.44 0.00 -2.04 0.00 0.00 64.05 60.88 2p0p n THR 39 Cb 0.29 -1.49 -0.04 0.00 -1.82 0.00 0.00 70.33 67.28 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 -3.33 3.88 -2.23 -4.42 4.77 0.12 -4.45 117.00 111.34 2p0p n LEU 40 Ca -0.33 0.95 -0.15 0.00 -0.03 0.00 0.00 56.01 56.45 2p0p n LEU 40 Cb 1.04 -1.48 -0.14 0.00 -2.33 0.00 0.00 43.42 40.51 2p0p n LEU 40 CO 0.39 0.10 1.82 1.21 -1.33 0.00 0.00 177.39 179.58 2p0p n GLU 41 N 6.61 2.13 -1.80 3.23 4.07 -1.26 -4.95 120.64 128.66 2p0p n GLU 41 Ca 0.20 -1.12 -0.33 0.00 -0.06 0.00 0.00 57.16 55.85 2p0p n GLU 41 Cb 0.36 -2.09 0.04 0.00 -0.06 0.00 0.00 31.44 29.69 2p0p n GLU 41 CO 0.00 0.00 0.00 -0.59 -0.06 0.00 0.00 177.13 176.48 2p0p s PHE 42 N 1.31 2.73 0.62 4.31 -0.12 -1.26 -4.26 117.98 121.31 2p0p s PHE 42 Ca 0.63 1.54 -0.17 0.00 -0.05 0.00 0.00 56.93 58.88 2p0p s PHE 42 Cb 0.28 -3.11 -0.02 0.00 -0.63 0.00 0.00 43.02 39.54 2p0p s PHE 42 CO -0.01 -1.53 1.13 -1.25 -0.05 0.00 0.00 175.22 173.51 2p0p s PRO 43 N -4.15 2.95 0.00 1.99 0.04 -1.26 -5.03 135.00 129.54 2p0p s PRO 43 Ca 0.66 1.52 0.00 0.00 0.04 0.00 0.00 61.00 63.21 2p0p s PRO 43 Cb -0.19 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.39 2p0p s PRO 43 CO 0.41 -1.15 0.00 1.97 0.04 0.00 0.00 177.00 178.27 2p0p n PHE 44 N -2.01 -0.06 -4.29 0.56 -1.74 -0.35 -5.00 117.46 104.56 2p0p n PHE 44 Ca 0.11 0.00 -0.16 0.00 -0.56 0.00 0.00 57.45 56.85 2p0p n PHE 44 Cb 0.51 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.41 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 -1.50 1.36 0.19 3.97 0.23 -1.24 -0.16 119.30 122.15 2p0p s MET 45 Ca 0.00 -1.73 -0.21 0.00 -1.03 0.00 0.00 55.69 52.73 2p0p s MET 45 Cb 0.00 -0.18 0.07 0.00 -1.53 0.00 0.00 34.83 33.19 2p0p s MET 45 CO 0.00 -0.30 0.99 0.41 -2.03 0.00 0.00 175.02 174.10 2p0p n GLY 46 N -0.42 0.63 3.24 3.16 0.00 -0.02 -0.96 105.19 110.83 2p0p n GLY 46 Ca -0.00 -1.15 -0.34 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.05 3.22 -0.56 1.61 2.47 0.09 -0.95 119.74 123.57 2p0p s LYS 47 Ca 0.22 -0.71 -0.28 0.00 -1.56 0.00 0.00 55.97 53.64 2p0p s LYS 47 Cb -0.03 -2.81 0.02 0.00 -1.46 0.00 0.00 37.83 33.55 2p0p s LYS 47 CO 0.06 -0.17 1.36 -0.46 0.16 0.00 0.00 175.35 176.29 2p0p s TRP 48 N 1.32 2.37 -0.53 4.03 -0.11 0.41 -1.16 118.94 125.26 2p0p s TRP 48 Ca 0.04 0.45 -0.06 0.00 1.22 0.00 0.00 56.10 57.75 2p0p s TRP 48 Cb -0.14 -4.43 -0.17 0.00 -1.50 0.00 0.00 33.47 27.23 2p0p s TRP 48 CO -0.06 -1.88 3.01 1.63 -4.62 0.00 0.00 176.95 175.02 2p0p n LYS 49 N 8.60 2.28 -1.46 5.86 4.76 -0.51 -1.35 118.16 136.35 2p0p n LYS 49 Ca 0.11 -1.28 -0.55 0.00 -2.87 0.00 0.00 58.31 53.73 2p0p n LYS 49 Cb 0.49 -2.22 -0.08 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 3.03 0.84 0.17 1.97 4.81 0.48 -4.57 118.16 124.89 2p0p n LYS 50 Ca 0.49 0.25 0.12 0.00 -0.87 0.00 0.00 58.31 58.30 2p0p n LYS 50 Cb 0.57 -2.15 0.23 0.00 0.02 0.00 0.00 35.03 33.70 2p0p n LYS 50 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 2p0p h LYS 51 N 10.38 0.00 -0.27 1.64 1.57 -1.84 -0.23 116.57 127.82 2p0p h LYS 51 Ca -0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2p0p h LYS 51 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.65 2p0p h LYS 51 CO 1.02 0.00 0.00 0.43 -0.57 0.00 0.00 179.45 180.33 2p0p n SER 52 N -2.78 0.27 -4.31 0.86 7.64 -1.26 -4.67 113.62 109.38 2p0p n SER 52 Ca 0.04 -0.66 -0.29 0.00 1.01 0.00 0.00 58.87 58.98 2p0p n SER 52 Cb 0.50 -0.14 0.22 0.00 -1.01 0.00 0.00 64.21 63.78 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 -1.17 -0.67 0.14 1.43 3.52 -1.26 -4.96 118.95 115.98 2p0p s ARG 53 Ca 0.00 0.38 -0.17 0.00 -0.13 0.00 0.00 55.73 55.81 2p0p s ARG 53 Cb 0.00 -1.62 -0.01 0.00 -1.56 0.00 0.00 34.95 31.76 2p0p s ARG 53 CO 0.00 -3.44 1.80 0.87 -0.81 0.00 0.00 175.30 173.72 2p0p h LYS 54 N -2.40 0.45 -7.38 5.12 1.57 -1.91 -3.43 116.57 108.59 2p0p h LYS 54 Ca -0.53 -0.03 -0.46 0.00 -1.87 0.00 0.00 60.65 57.76 2p0p h LYS 54 Cb 1.33 -0.10 0.09 0.00 0.08 0.00 0.00 32.23 33.63 2p0p h LYS 54 CO 0.48 0.30 0.25 0.95 -0.57 0.00 0.00 179.45 180.86 2p0p s THR 55 N -6.16 2.20 -1.19 -0.16 -4.23 -1.26 -4.98 115.64 99.85 2p0p s THR 55 Ca -0.13 -0.26 0.13 0.00 -1.18 0.00 0.00 61.69 60.26 2p0p s THR 55 Cb 0.10 -2.94 0.17 0.00 1.34 0.00 0.00 72.50 71.16 2p0p s THR 55 CO 0.71 0.00 1.39 -1.20 -0.54 0.00 0.00 174.62 174.98 2p0p n SER 56 N -3.07 0.00 -4.67 3.99 7.64 -1.26 -4.85 113.62 111.40 2p0p n SER 56 Ca 0.10 0.32 -0.45 0.00 1.01 0.00 0.00 58.87 59.85 2p0p n SER 56 Cb 0.60 -0.40 -0.03 0.00 -1.01 0.00 0.00 64.21 63.37 2p0p n SER 56 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2p0p n THR 57 N -1.40 0.68 -2.65 0.44 -1.04 -1.26 -4.91 114.28 104.14 2p0p n THR 57 Ca 0.05 -0.17 -0.33 0.00 -2.04 0.00 0.00 64.05 61.55 2p0p n THR 57 Cb 0.13 -1.52 -0.05 0.00 -1.82 0.00 0.00 70.33 67.07 2p0p n THR 57 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2p0p s ILE 58 N 0.22 4.07 0.24 12.58 1.01 -1.26 -4.34 121.20 133.71 2p0p s ILE 58 Ca 0.71 1.27 0.07 0.00 0.00 0.00 0.00 60.65 62.71 2p0p s ILE 58 Cb -0.65 -3.52 -0.05 0.00 0.01 0.00 0.00 42.46 38.25 2p0p s ILE 58 CO 0.46 -0.29 -0.11 -1.61 0.00 0.00 0.00 174.94 173.39 2p0p s GLU 59 N -3.25 1.43 -0.26 2.79 0.41 -0.10 -4.97 118.70 114.76 2p0p s GLU 59 Ca 0.65 -1.68 -0.01 0.00 -0.41 0.00 0.00 54.97 53.52 2p0p s GLU 59 Cb -0.13 -1.16 0.08 0.00 -1.78 0.00 0.00 34.13 31.14 2p0p s GLU 59 CO 0.18 0.13 0.04 -1.21 -0.49 0.00 0.00 175.26 173.91 2p0p s GLU 60 N -3.68 0.94 -0.23 1.61 2.02 -1.26 -0.38 118.70 117.73 2p0p s GLU 60 Ca 0.26 -0.90 -0.02 0.00 0.02 0.00 0.00 54.97 54.33 2p0p s GLU 60 Cb 0.01 -2.22 0.01 0.00 0.10 0.00 0.00 34.13 32.02 2p0p s GLU 60 CO 0.09 -0.79 -0.07 0.21 0.02 0.00 0.00 175.26 174.72 2p0p s LYS 61 N 1.60 3.11 0.15 1.61 2.20 -0.46 -4.96 119.74 123.00 2p0p s LYS 61 Ca 0.03 -0.79 -0.31 0.00 -0.36 0.00 0.00 55.97 54.54 2p0p s LYS 61 Cb -0.18 -2.94 -0.08 0.00 -1.51 0.00 0.00 37.83 33.13 2p0p s LYS 61 CO -0.15 -0.28 1.33 0.99 -0.36 0.00 0.00 175.35 176.88 2p0p s THR 62 N 1.39 3.33 0.02 3.43 2.01 -1.26 -0.44 115.64 124.12 2p0p s THR 62 Ca 0.04 1.03 0.01 0.00 0.31 0.00 0.00 61.69 63.07 2p0p s THR 62 Cb -0.15 -3.66 -0.01 0.00 0.01 0.00 0.00 72.50 68.69 2p0p s THR 62 CO -0.05 0.12 -0.05 0.68 -0.69 0.00 0.00 174.62 174.63 2p0p s VAL 63 N 0.58 0.30 -0.25 3.82 -7.23 -0.13 -1.87 120.40 115.62 2p0p s VAL 63 Ca 0.60 -0.65 -0.14 0.00 -1.81 0.00 0.00 61.98 59.98 2p0p s VAL 63 Cb -0.36 -0.35 -0.04 0.00 0.56 0.00 0.00 36.38 36.19 2p0p s VAL 63 CO 0.34 -0.23 0.31 -0.70 -0.31 0.00 0.00 175.10 174.51 2p0p s GLU 64 N -0.94 4.06 -0.46 4.82 2.12 -0.61 -0.84 118.70 126.85 2p0p s GLU 64 Ca -0.07 -0.04 -0.21 0.00 0.36 0.00 0.00 54.97 55.01 2p0p s GLU 64 Cb -0.06 -3.60 0.03 0.00 0.26 0.00 0.00 34.13 30.75 2p0p s GLU 64 CO -0.00 -0.13 0.69 0.08 -0.54 0.00 0.00 175.26 175.35 2p0p s VAL 65 N 1.63 4.77 0.31 3.70 1.01 0.78 -0.54 120.40 132.06 2p0p s VAL 65 Ca 0.13 0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.23 2p0p s VAL 65 Cb -0.15 -4.27 0.12 0.00 0.00 0.00 0.00 36.38 32.08 2p0p s VAL 65 CO 0.08 -0.69 1.80 -0.07 0.00 0.00 0.00 175.10 176.22 2p0p h LEU 66 N 9.87 0.51 0.00 3.92 -0.00 -1.23 -0.93 115.31 127.46 2p0p h LEU 66 Ca -0.26 -0.13 0.00 0.00 -0.00 0.00 0.00 57.88 57.49 2p0p h LEU 66 Cb 1.09 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.61 2p0p h LEU 66 CO 0.93 0.66 0.00 0.61 -0.00 0.00 0.00 178.44 180.64 2p0p n GLY 67 N -0.65 -1.65 3.76 0.83 0.00 -1.24 -4.00 105.19 102.23 2p0p n GLY 67 Ca 0.01 -1.43 -0.38 0.00 0.00 0.00 0.00 46.02 44.22 2p0p n GLY 67 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2p0p s MET 68 N -1.87 3.41 1.03 1.61 1.75 -1.26 -1.05 119.30 122.91 2p0p s MET 68 Ca 0.00 2.18 -0.12 0.00 -1.25 0.00 0.00 55.69 56.50 2p0p s MET 68 Cb 0.00 -2.39 0.21 0.00 2.84 0.00 0.00 34.83 35.49 2p0p s MET 68 CO 0.00 -0.96 1.07 0.00 -0.65 0.00 0.00 175.02 174.48 2p0p s ALA 69 N -1.32 0.61 0.59 4.11 0.00 -0.29 -4.44 121.76 121.02 2p0p s ALA 69 Ca 0.67 -0.16 -0.18 0.00 0.00 0.00 0.00 51.96 52.30 2p0p s ALA 69 Cb -0.39 -3.20 -0.09 0.00 0.00 0.00 0.00 23.12 19.45 2p0p s ALA 69 CO 0.47 -3.08 0.46 -2.30 0.00 0.00 0.00 175.76 171.31 2p0p n PRO 70 N -4.38 0.44 -0.08 0.00 -0.02 -1.26 -4.74 135.00 124.96 2p0p n PRO 70 Ca 0.05 0.18 0.13 0.00 -2.02 0.00 0.00 63.50 61.84 2p0p n PRO 70 Cb 0.55 -1.66 0.52 0.00 -0.02 0.00 0.00 33.50 32.90 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 0.13 0.33 0.35 2.55 3.58 -1.95 -0.83 116.42 120.57 2p0p h ASP 71 Ca -0.45 0.01 -0.09 0.00 0.42 0.00 0.00 57.03 56.92 2p0p h ASP 71 Cb 1.40 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 42.38 2p0p h ASP 71 CO 0.46 0.19 -0.38 -0.78 -2.88 0.00 0.00 179.24 175.85 2p0p h ASP 72 N 0.36 0.06 -0.01 2.28 3.58 -2.01 -2.36 116.42 118.32 2p0p h ASP 72 Ca 0.28 -0.02 -0.19 0.00 0.42 0.00 0.00 57.03 57.52 2p0p h ASP 72 Cb 0.63 -0.02 0.01 0.00 1.72 0.00 0.00 39.33 41.68 2p0p h ASP 72 CO -0.07 0.44 -0.75 -0.33 -2.88 0.00 0.00 179.24 175.65 2p0p h GLU 73 N 0.05 0.53 -0.52 0.28 4.39 -1.52 -3.33 114.58 114.45 2p0p h GLU 73 Ca 0.00 -0.55 0.00 0.00 0.34 0.00 0.00 59.36 59.15 2p0p h GLU 73 Cb 0.71 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.51 2p0p h GLU 73 CO 0.05 1.18 0.00 0.00 -1.16 0.00 0.00 179.01 179.08 2p0p h LEU 75 N 0.06 0.00 0.00 0.00 7.12 -1.59 -3.39 115.31 117.51 2p0p h LEU 75 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 2p0p h LEU 75 Cb 0.26 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.39 2p0p h LEU 75 CO 0.00 0.00 0.00 0.29 -0.13 0.00 0.00 178.44 178.60 2p0p n LYS 76 N -2.44 0.00 -3.88 1.25 5.02 -1.26 -4.40 118.16 112.46 2p0p n LYS 76 Ca 0.03 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.22 2p0p n LYS 76 Cb 0.29 -0.45 -0.08 0.00 -0.02 0.00 0.00 35.03 34.77 2p0p n LYS 76 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2p0p s ASP 77 N -1.35 0.12 -0.27 4.39 2.15 -1.26 -4.81 116.67 115.63 2p0p s ASP 77 Ca 0.00 -0.53 -0.24 0.00 0.43 0.00 0.00 52.55 52.21 2p0p s ASP 77 Cb 0.00 0.29 -0.00 0.00 -0.30 0.00 0.00 42.92 42.90 2p0p s ASP 77 CO 0.00 -0.61 0.81 -0.04 -0.17 0.00 0.00 175.17 175.16 2p0p s MET 78 N -3.07 4.08 0.11 4.34 -1.94 -1.26 -4.19 119.30 117.37 2p0p s MET 78 Ca -0.01 0.77 0.06 0.00 -1.71 0.00 0.00 55.69 54.80 2p0p s MET 78 Cb 0.01 -3.68 -0.04 0.00 2.01 0.00 0.00 34.83 33.13 2p0p s MET 78 CO -0.07 -0.59 -0.15 0.71 -0.01 0.00 0.00 175.02 174.91 2p0p s TYR 79 N 2.90 1.41 0.03 -0.03 2.02 -1.26 -1.16 117.35 121.27 2p0p s TYR 79 Ca 0.34 -0.51 0.03 0.00 -0.37 0.00 0.00 57.07 56.55 2p0p s TYR 79 Cb -0.15 -0.75 -0.02 0.00 -0.40 0.00 0.00 41.96 40.64 2p0p s TYR 79 CO 0.10 0.14 -0.09 0.14 -1.57 0.00 0.00 175.55 174.27 2p0p s VAL 80 N -1.81 0.68 0.20 0.71 -7.23 0.12 -1.13 120.40 111.94 2p0p s VAL 80 Ca 0.06 -0.82 -0.28 0.00 -1.81 0.00 0.00 61.98 59.13 2p0p s VAL 80 Cb -0.07 -0.66 -0.08 0.00 0.56 0.00 0.00 36.38 36.13 2p0p s VAL 80 CO 0.03 -0.12 0.89 -1.61 -0.31 0.00 0.00 175.10 173.98 2p0p s GLU 81 N -1.04 4.75 -0.02 4.82 2.02 -0.21 -0.87 118.70 128.15 2p0p s GLU 81 Ca -0.03 1.38 -0.02 0.00 0.02 0.00 0.00 54.97 56.32 2p0p s GLU 81 Cb -0.07 -3.29 0.01 0.00 0.10 0.00 0.00 34.13 30.88 2p0p s GLU 81 CO 0.00 0.50 0.06 0.14 0.02 0.00 0.00 175.26 175.99 2p0p s VAL 82 N -1.04 -0.00 -0.15 2.63 -7.23 -0.07 -0.82 120.40 113.71 2p0p s VAL 82 Ca 0.40 0.01 -0.07 0.00 -1.81 0.00 0.00 61.98 60.51 2p0p s VAL 82 Cb -0.25 -0.10 -0.04 0.00 0.56 0.00 0.00 36.38 36.55 2p0p s VAL 82 CO 0.30 0.00 0.09 0.00 -0.31 0.00 0.00 175.10 175.18 2p0p s ALA 83 N 0.09 3.59 -1.51 1.32 0.00 0.30 -0.32 121.76 125.23 2p0p s ALA 83 Ca -0.01 -0.71 -0.12 0.00 0.00 0.00 0.00 51.96 51.12 2p0p s ALA 83 Cb -0.01 -1.89 -0.00 0.00 0.00 0.00 0.00 23.12 21.21 2p0p s ALA 83 CO -0.00 0.40 2.49 -3.47 0.00 0.00 0.00 175.76 175.17 2p0p n ASP 84 N 2.75 5.75 0.12 0.00 2.03 -1.21 -1.57 116.55 124.42 2p0p n ASP 84 Ca -0.18 -2.76 0.08 0.00 0.52 0.00 0.00 54.79 52.45 2p0p n ASP 84 Cb 0.53 -1.61 0.42 0.00 -0.72 0.00 0.00 41.12 39.74 2p0p n ASP 84 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 2p0p n ILE 85 N 4.43 1.28 0.96 5.18 -5.35 -1.21 -0.39 119.36 124.26 2p0p n ILE 85 Ca 0.61 0.67 0.12 0.00 -0.27 0.00 0.00 62.75 63.89 2p0p n ILE 85 Cb 0.33 -1.67 0.25 0.00 -1.74 0.00 0.00 39.64 36.81 2p0p n ILE 85 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2p0p n GLY 86 N -1.35 -1.27 0.00 3.28 0.00 -0.78 -4.62 105.19 100.45 2p0p n GLY 86 Ca -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 1.48 0.00 0.02 -0.02 0.00 -0.50 -4.92 105.19 101.26 2p0p n GLY 87 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.27 0.00 0.00 1.61 4.76 0.35 -5.05 118.16 119.55 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 -0.51 0.00 0.00 -1.84 0.00 0.00 35.03 32.68 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 -1.55 0.00 -0.57 4.39 2.03 0.47 -4.57 116.55 116.75 2p0p n ASP 89 Ca 0.00 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.44 2p0p n ASP 89 Cb 0.02 0.00 0.44 0.00 -0.72 0.00 0.00 41.12 40.86 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 0.04 1.79 -4.18 1.67 2.03 -1.26 -4.75 116.55 111.88 2p0p n ASP 90 Ca 0.00 -1.61 -0.11 0.00 0.52 0.00 0.00 54.79 53.59 2p0p n ASP 90 Cb 0.00 -0.02 -0.10 0.00 -0.72 0.00 0.00 41.12 40.28 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 -1.95 0.72 0.06 1.67 2.15 -1.26 -5.12 116.67 112.94 2p0p s ASP 91 Ca 0.36 -1.16 0.05 0.00 0.43 0.00 0.00 52.55 52.23 2p0p s ASP 91 Cb 0.21 0.21 -0.03 0.00 -0.30 0.00 0.00 42.92 43.00 2p0p s ASP 91 CO 0.32 -0.64 -0.14 -0.69 -0.17 0.00 0.00 175.17 173.86 2p0p s VAL 92 N -3.86 1.07 0.12 1.11 1.01 -1.26 -3.30 120.40 115.29 2p0p s VAL 92 Ca 0.21 -1.17 0.02 0.00 0.00 0.00 0.00 61.98 61.04 2p0p s VAL 92 Cb 0.07 -1.01 -0.01 0.00 0.00 0.00 0.00 36.38 35.43 2p0p s VAL 92 CO 0.01 -0.15 0.11 -1.22 0.00 0.00 0.00 175.10 173.85 2p0p n TYR 93 N 1.52 -0.37 -4.48 5.22 4.01 0.57 -4.98 117.16 118.65 2p0p n TYR 93 Ca -0.20 -0.98 -0.26 0.00 -0.16 0.00 0.00 57.90 56.31 2p0p n TYR 93 Cb 0.54 0.12 -0.13 0.00 -0.31 0.00 0.00 39.34 39.56 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 -2.50 1.80 0.04 -0.72 2.01 -1.26 -0.89 115.64 114.12 2p0p s THR 94 Ca 0.14 -1.43 0.03 0.00 0.31 0.00 0.00 61.69 60.73 2p0p s THR 94 Cb 0.01 -1.60 -0.02 0.00 0.01 0.00 0.00 72.50 70.90 2p0p s THR 94 CO 0.10 0.09 -0.09 0.00 -0.69 0.00 0.00 174.62 174.02 2p0p s ALA 95 N -0.99 0.70 0.08 7.40 0.00 -0.05 -4.92 121.76 123.98 2p0p s ALA 95 Ca 0.08 -0.75 -0.31 0.00 0.00 0.00 0.00 51.96 50.98 2p0p s ALA 95 Cb -0.10 -0.01 -0.07 0.00 0.00 0.00 0.00 23.12 22.95 2p0p s ALA 95 CO 0.03 0.04 1.31 -1.59 0.00 0.00 0.00 175.76 175.56 2p0p s LYS 96 N -1.42 4.36 0.48 0.00 0.00 -1.26 -0.70 119.74 121.19 2p0p s LYS 96 Ca -0.07 1.94 0.13 0.00 0.00 0.00 0.00 55.97 57.97 2p0p s LYS 96 Cb -0.09 -3.33 1.11 0.00 0.00 0.00 0.00 37.83 35.52 2p0p s LYS 96 CO 0.01 -0.39 2.11 1.25 0.00 0.00 0.00 175.35 178.33 2p0p h LEU 97 N 7.01 0.17 -1.60 2.77 5.85 -1.45 -1.05 115.31 127.00 2p0p h LEU 97 Ca -0.41 -0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.40 2p0p h LEU 97 Cb 1.21 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 2p0p h LEU 97 CO 0.85 0.13 0.60 0.28 -0.34 0.00 0.00 178.44 179.96 2p0p h SER 98 N 0.20 0.00 -0.13 1.25 0.02 -1.91 -2.29 113.55 110.69 2p0p h SER 98 Ca 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2p0p h SER 98 Cb -0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.53 2p0p h SER 98 CO -0.01 0.00 0.00 -0.67 -1.14 0.00 0.00 176.83 175.01 2p0p n ASP 99 N -3.23 2.56 -4.50 3.07 2.03 -0.40 -5.01 116.55 111.07 2p0p n ASP 99 Ca 0.06 -2.31 -0.26 0.00 0.52 0.00 0.00 54.79 52.80 2p0p n ASP 99 Cb 0.74 -0.21 -0.10 0.00 -0.72 0.00 0.00 41.12 40.83 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 -1.54 2.75 -0.08 5.18 1.01 -0.86 -1.42 121.20 126.24 2p0p s ILE 100 Ca 0.17 -1.91 0.04 0.00 0.00 0.00 0.00 60.65 58.95 2p0p s ILE 100 Cb 0.12 -2.36 -0.00 0.00 0.01 0.00 0.00 42.46 40.24 2p0p s ILE 100 CO 0.06 -0.15 -0.21 -0.70 0.00 0.00 0.00 174.94 173.94 2p0p s GLU 101 N -2.86 2.57 0.20 2.79 2.56 -0.31 -4.92 118.70 118.73 2p0p s GLU 101 Ca 0.24 -0.77 -0.25 0.00 0.00 0.00 0.00 54.97 54.18 2p0p s GLU 101 Cb -0.08 -2.03 -0.08 0.00 2.00 0.00 0.00 34.13 33.94 2p0p s GLU 101 CO 0.13 0.20 0.80 0.00 -0.56 0.00 0.00 175.26 175.83 2p0p s ALA 102 N 0.26 3.41 0.01 6.30 0.00 -1.26 -0.73 121.76 129.75 2p0p s ALA 102 Ca -0.13 0.38 0.05 0.00 0.00 0.00 0.00 51.96 52.25 2p0p s ALA 102 Cb -0.16 -2.99 -0.02 0.00 0.00 0.00 0.00 23.12 19.95 2p0p s ALA 102 CO 0.06 0.28 -0.14 0.42 0.00 0.00 0.00 175.76 176.38 2p0p s ILE 103 N -1.24 1.13 -1.94 0.00 1.01 -0.13 -4.81 121.20 115.21 2p0p s ILE 103 Ca 0.39 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 60.26 2p0p s ILE 103 Cb -0.22 -0.98 0.00 0.00 0.01 0.00 0.00 42.46 41.27 2p0p s ILE 103 CO 0.26 0.19 0.00 -0.67 0.00 0.00 0.00 174.94 174.72 2p0p n ASP 104 N 2.38 -5.04 -4.88 3.58 2.03 -1.26 -3.67 116.55 109.67 2p0p n ASP 104 Ca -0.16 0.40 -0.30 0.00 0.52 0.00 0.00 54.79 55.26 2p0p n ASP 104 Cb 0.55 -4.45 0.06 0.00 -0.72 0.00 0.00 41.12 36.56 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 -2.65 2.98 0.71 5.18 -7.23 -1.26 -4.90 120.40 113.23 2p0p s VAL 105 Ca 0.00 0.32 -0.11 0.00 -1.81 0.00 0.00 61.98 60.38 2p0p s VAL 105 Cb 0.00 -3.30 0.01 0.00 0.56 0.00 0.00 36.38 33.65 2p0p s VAL 105 CO 0.00 -0.42 1.07 1.51 -0.31 0.00 0.00 175.10 176.95 2p0p s ASP 106 N -4.40 5.36 0.22 4.85 -4.77 -1.26 -4.87 116.67 111.80 2p0p s ASP 106 Ca 0.60 1.41 -0.08 0.00 -3.30 0.00 0.00 52.55 51.18 2p0p s ASP 106 Cb -0.11 -2.28 0.24 0.00 -1.09 0.00 0.00 42.92 39.68 2p0p s ASP 106 CO 0.51 -1.43 1.86 -0.78 0.70 0.00 0.00 175.17 176.03 2p0p h ASP 107 N -0.71 0.81 -0.37 2.11 3.58 -1.98 -0.53 116.42 119.32 2p0p h ASP 107 Ca -0.45 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 56.84 2p0p h ASP 107 Cb 1.23 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 42.10 2p0p h ASP 107 CO 0.60 0.55 -0.41 -0.78 -2.88 0.00 0.00 179.24 176.31 2p0p h ASP 108 N 0.95 1.01 -0.02 2.28 3.58 -1.94 0.27 116.42 122.55 2p0p h ASP 108 Ca 0.32 -0.48 0.00 0.00 0.42 0.00 0.00 57.03 57.29 2p0p h ASP 108 Cb 0.04 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 40.81 2p0p h ASP 108 CO -0.12 1.28 0.01 0.74 -2.88 0.00 0.00 179.24 178.27 2p0p h THR 109 N 0.76 1.01 -0.29 2.25 2.02 -1.73 -0.85 112.91 116.07 2p0p h THR 109 Ca 0.05 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 67.22 2p0p h THR 109 Cb 1.01 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 68.40 2p0p h THR 109 CO 0.10 0.01 0.17 -0.61 0.37 0.00 0.00 175.52 175.56 2p0p h GLN 110 N 0.02 0.35 -0.60 6.66 -0.00 -0.85 -2.23 115.11 118.46 2p0p h GLN 110 Ca 0.01 -0.02 -0.03 0.00 -0.00 0.00 0.00 58.65 58.61 2p0p h GLN 110 Cb 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 27.48 27.38 2p0p h GLN 110 CO -0.00 0.23 0.25 0.93 0.00 0.00 0.00 178.83 180.24 2p0p h GLU 111 N 0.36 0.86 -0.56 1.69 4.39 -0.81 0.62 114.58 121.13 2p0p h GLU 111 Ca 0.11 -0.13 -0.08 0.00 0.34 0.00 0.00 59.36 59.60 2p0p h GLU 111 Cb -0.02 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.46 2p0p h GLU 111 CO -0.04 0.70 0.05 0.00 -1.16 0.00 0.00 179.01 178.56 2p0p h ALA 112 N 1.42 0.75 -0.25 3.43 0.00 -0.78 0.59 119.26 124.43 2p0p h ALA 112 Ca 0.20 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2p0p h ALA 112 Cb 0.15 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2p0p h ALA 112 CO -0.02 0.53 -0.05 0.82 0.00 0.00 0.00 179.25 180.53 2p0p h ILE 113 N 0.84 1.28 -1.00 0.00 2.04 -0.92 -2.70 117.51 117.06 2p0p h ILE 113 Ca 0.16 -1.04 0.03 0.00 1.00 0.00 0.00 64.86 65.02 2p0p h ILE 113 Cb 0.47 1.46 -0.06 0.00 -0.74 0.00 0.00 36.82 37.95 2p0p h ILE 113 CO 0.02 0.32 0.65 0.00 0.00 0.00 0.00 178.15 179.15 2p0p h ALA 114 N 0.77 1.34 -0.36 1.87 0.00 -0.71 -1.76 119.26 120.41 2p0p h ALA 114 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2p0p h ALA 114 Cb 0.51 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2p0p h ALA 114 CO 0.02 0.57 0.24 0.22 0.00 0.00 0.00 179.25 180.30 2p0p h ASP 115 N 1.28 0.42 -0.54 0.00 1.82 -0.71 0.98 116.42 119.67 2p0p h ASP 115 Ca 0.39 -0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 57.02 2p0p h ASP 115 Cb -0.03 -0.10 -0.03 0.00 0.68 0.00 0.00 39.33 39.85 2p0p h ASP 115 CO -0.12 0.30 0.33 -0.25 -1.61 0.00 0.00 179.24 177.90 2p0p h TRP 116 N 0.49 0.71 -0.42 0.28 2.91 -1.15 -0.91 115.95 117.86 2p0p h TRP 116 Ca 0.13 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.13 2p0p h TRP 116 Cb -0.05 -0.23 -0.02 0.00 -0.51 0.00 0.00 29.16 28.34 2p0p h TRP 116 CO -0.05 0.48 0.17 -0.07 -1.03 0.00 0.00 178.44 177.94 2p0p h LEU 117 N 0.72 0.57 -0.66 0.65 3.38 -0.67 0.69 115.31 119.99 2p0p h LEU 117 Ca 0.19 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2p0p h LEU 117 Cb -0.02 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 2p0p h LEU 117 CO -0.04 0.58 0.27 1.88 0.09 0.00 0.00 178.44 181.23 2p0p h TYR 118 N 0.53 0.99 -0.02 1.13 0.05 -0.66 -1.00 116.97 117.98 2p0p h TYR 118 Ca 0.14 -0.07 -0.00 0.00 0.05 0.00 0.00 58.73 58.85 2p0p h TYR 118 Cb 0.18 -0.30 -0.00 0.00 1.01 0.00 0.00 36.73 37.63 2p0p h TYR 118 CO -0.00 0.77 0.01 2.35 -1.05 0.00 0.00 178.16 180.24 2p0p h TRP 119 N 0.93 0.03 0.00 4.88 2.91 -0.87 -1.60 115.95 122.22 2p0p h TRP 119 Ca 0.22 -0.00 -0.06 0.00 1.13 0.00 0.00 58.89 60.18 2p0p h TRP 119 Cb 0.19 -0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 28.82 2p0p h TRP 119 CO 0.01 0.17 -0.29 1.25 -1.03 0.00 0.00 178.44 178.56 2p0p h LEU 120 N -0.13 0.00 -1.04 0.65 5.85 -0.62 0.80 115.31 120.83 2p0p h LEU 120 Ca 0.01 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 2p0p h LEU 120 Cb 0.16 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2p0p h LEU 120 CO -0.00 0.29 -0.31 0.00 -0.34 0.00 0.00 178.44 178.07 2p0p h ALA 121 N 1.71 1.19 -0.01 1.25 0.00 -1.04 -1.87 119.26 120.50 2p0p h ALA 121 Ca -0.00 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 2p0p h ALA 121 Cb 0.53 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2p0p h ALA 121 CO 0.04 0.53 -0.46 -0.09 0.00 0.00 0.00 179.25 179.27 2p0p h ARG 122 N 0.26 0.03 0.00 0.00 9.65 0.07 -1.01 114.38 123.38 2p0p h ARG 122 Ca 0.03 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 2p0p h ARG 122 Cb 0.69 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.27 2p0p h ARG 122 CO 0.05 0.49 0.00 0.41 2.80 0.00 0.00 179.97 183.72 2p0p n GLY 123 N -0.19 3.17 0.17 2.80 0.00 0.06 -4.73 105.19 106.48 2p0p n GLY 123 Ca -0.02 -1.74 -0.10 0.00 0.00 0.00 0.00 46.02 44.16 2p0p n GLY 123 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2p0p h TYR 124 N 0.00 -0.31 0.00 1.61 3.20 -1.81 -3.34 116.97 116.32 2p0p h TYR 124 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2p0p h TYR 124 Cb 0.00 0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.42 2p0p h TYR 124 CO 0.00 -0.19 0.00 1.63 -1.64 0.00 0.00 178.16 177.96 2p0p n LYS 125 N -5.26 -0.06 0.00 1.82 4.76 -1.26 -4.96 118.16 113.20 2p0p n LYS 125 Ca -0.04 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 2p0p n LYS 125 Cb 0.18 -3.85 0.00 0.00 -1.84 0.00 0.00 35.03 29.52 2p0p n LYS 125 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22