#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 1.25 0.00 -5.12 0.00 -1.83 -3.36 119.26 110.21 2p0p h ALA 2 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2p0p h ALA 2 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2p0p h ALA 2 CO 0.00 0.20 0.00 0.43 0.00 0.00 0.00 179.25 179.88 2p0p n SER 3 N -3.64 1.44 0.21 0.00 7.64 -1.26 -4.28 113.62 113.73 2p0p n SER 3 Ca -0.01 -1.05 0.15 0.00 1.01 0.00 0.00 58.87 58.96 2p0p n SER 3 Cb 0.29 -0.26 0.73 0.00 -1.01 0.00 0.00 64.21 63.95 2p0p n SER 3 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 2p0p h VAL 4 N 0.42 0.00 -3.11 0.44 -1.51 -1.93 -3.42 116.25 107.14 2p0p h VAL 4 Ca 0.00 -0.10 -0.11 0.00 -1.23 0.00 0.00 66.70 65.26 2p0p h VAL 4 Cb 0.49 0.81 -0.19 0.00 -2.13 0.00 0.00 31.29 30.28 2p0p h VAL 4 CO 0.00 0.00 -0.27 -0.70 -1.23 0.00 0.00 177.57 175.37 2p0p s GLU 5 N -3.65 0.71 0.00 5.19 2.12 -1.26 -5.05 118.70 116.76 2p0p s GLU 5 Ca -0.01 -0.28 0.00 0.00 0.36 0.00 0.00 54.97 55.03 2p0p s GLU 5 Cb 0.09 0.31 0.00 0.00 0.26 0.00 0.00 34.13 34.79 2p0p s GLU 5 CO 0.32 -0.21 0.15 2.89 -0.54 0.00 0.00 175.26 177.87 2p0p n ARG 6 N 1.07 1.01 0.08 4.30 1.85 -1.26 -4.80 116.66 118.90 2p0p n ARG 6 Ca -0.21 -0.15 0.13 0.00 -1.00 0.00 0.00 57.85 56.62 2p0p n ARG 6 Cb 0.57 -0.54 0.30 0.00 -1.05 0.00 0.00 32.46 31.74 2p0p n ARG 6 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 2p0p n ASP 7 N -0.19 0.73 0.00 2.89 2.03 -1.26 -4.97 116.55 115.79 2p0p n ASP 7 Ca 0.00 0.35 0.00 0.00 0.52 0.00 0.00 54.79 55.66 2p0p n ASP 7 Cb 0.08 -0.33 0.00 0.00 -0.72 0.00 0.00 41.12 40.15 2p0p n ASP 7 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2p0p n GLU 8 N -2.15 0.00 -0.12 -0.67 1.02 -1.26 -4.84 120.64 112.62 2p0p n GLU 8 Ca 0.05 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.10 2p0p n GLU 8 Cb 0.43 -4.13 -0.01 0.00 -0.02 0.00 0.00 31.44 27.71 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 1.13 -0.28 2.62 2.02 -1.99 0.45 112.91 116.87 2p0p h THR 9 Ca 0.00 -0.33 -0.10 0.00 0.77 0.00 0.00 66.41 66.75 2p0p h THR 9 Cb 0.00 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 2p0p h THR 9 CO 0.00 0.14 -0.23 0.03 0.37 0.00 0.00 175.52 175.82 2p0p h ARG 10 N 0.48 0.53 -0.28 6.66 -0.00 -1.98 0.97 114.38 120.75 2p0p h ARG 10 Ca 0.13 -0.19 0.05 0.00 -0.50 0.00 0.00 59.98 59.47 2p0p h ARG 10 Cb 0.03 -0.03 -0.05 0.00 0.00 0.00 0.00 29.97 29.92 2p0p h ARG 10 CO -0.02 0.72 -0.04 1.49 0.00 0.00 0.00 179.97 182.12 2p0p h GLU 11 N 0.47 0.03 -0.04 0.04 4.81 -1.83 0.97 114.58 119.03 2p0p h GLU 11 Ca 0.07 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2p0p h GLU 11 Cb 0.66 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.03 2p0p h GLU 11 CO 0.05 0.02 0.02 1.25 -0.73 0.00 0.00 179.01 179.62 2p0p h HIS 12 N 0.03 0.05 -0.16 0.92 2.76 -0.50 -2.83 115.15 115.43 2p0p h HIS 12 Ca 0.13 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.29 2p0p h HIS 12 Cb 0.19 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.13 2p0p h HIS 12 CO -0.25 0.15 0.04 0.00 -1.30 0.00 0.00 177.93 176.57 2p0p h ARG 13 N -0.05 0.24 -0.72 5.26 2.47 -0.48 -1.46 114.38 119.64 2p0p h ARG 13 Ca 0.01 -0.06 0.04 0.00 -1.26 0.00 0.00 59.98 58.71 2p0p h ARG 13 Cb 0.11 -0.03 -0.05 0.00 -1.65 0.00 0.00 29.97 28.35 2p0p h ARG 13 CO -0.00 0.38 0.45 0.97 0.56 0.00 0.00 179.97 182.33 2p0p h ILE 14 N 0.07 1.08 -0.82 2.04 2.10 -0.85 -0.78 117.51 120.35 2p0p h ILE 14 Ca 0.05 -0.30 -0.04 0.00 1.08 0.00 0.00 64.86 65.65 2p0p h ILE 14 Cb 0.24 0.13 -0.04 0.00 -1.09 0.00 0.00 36.82 36.07 2p0p h ILE 14 CO -0.00 0.16 0.37 -0.08 -1.08 0.00 0.00 178.15 177.52 2p0p h GLU 15 N 0.87 1.19 -0.02 2.19 4.57 -1.36 -2.05 114.58 119.97 2p0p h GLU 15 Ca 0.30 -0.19 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 2p0p h GLU 15 Cb 0.04 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.43 2p0p h GLU 15 CO -0.12 0.93 -0.13 0.25 -1.18 0.00 0.00 179.01 178.76 2p0p n THR 16 N -4.30 0.00 0.00 0.32 -2.24 -0.42 -2.49 114.28 105.15 2p0p n THR 16 Ca 0.08 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 2p0p n THR 16 Cb 0.16 0.95 0.00 0.00 -2.10 0.00 0.00 70.33 69.33 2p0p n THR 16 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2p0p n GLU 17 N 0.38 4.86 -0.01 -0.78 0.28 -0.46 -4.68 120.64 120.23 2p0p n GLU 17 Ca 0.14 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 56.93 2p0p n GLU 17 Cb 0.45 -0.51 -0.14 0.00 1.43 0.00 0.00 31.44 32.68 2p0p n GLU 17 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 2p0p n ILE 18 N -0.12 1.76 -0.47 3.84 2.08 -0.77 -4.65 119.36 121.02 2p0p n ILE 18 Ca 0.00 -0.61 0.00 0.00 0.56 0.00 0.00 62.75 62.70 2p0p n ILE 18 Cb 0.00 -1.74 0.00 0.00 -0.75 0.00 0.00 39.64 37.15 2p0p n ILE 18 CO 0.00 0.00 0.00 2.30 0.56 0.00 0.00 176.55 179.41 2p0p n ILE 19 N -3.54 0.54 -0.02 1.39 -5.35 -1.21 -4.41 119.36 106.77 2p0p n ILE 19 Ca -0.33 -0.55 0.06 0.00 -0.27 0.00 0.00 62.75 61.67 2p0p n ILE 19 Cb 1.02 0.72 0.45 0.00 -1.74 0.00 0.00 39.64 40.10 2p0p n ILE 19 CO 0.00 0.00 0.00 1.62 -1.76 0.00 0.00 176.55 176.41 2p0p h VAL 20 N 1.39 1.04 0.00 7.28 3.04 -1.75 -1.87 116.25 125.38 2p0p h VAL 20 Ca 0.00 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.52 2p0p h VAL 20 Cb 0.73 0.49 0.00 0.00 -2.01 0.00 0.00 31.29 30.50 2p0p h VAL 20 CO 0.00 0.09 0.00 -0.67 -1.01 0.00 0.00 177.57 175.98 2p0p n ASP 21 N -4.48 0.00 -4.15 3.17 2.03 -1.26 -4.83 116.55 107.03 2p0p n ASP 21 Ca 0.05 -0.40 -0.14 0.00 0.52 0.00 0.00 54.79 54.82 2p0p n ASP 21 Cb 0.15 -0.14 -0.11 0.00 -0.72 0.00 0.00 41.12 40.30 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 -2.28 0.99 0.00 -1.67 0.00 -0.70 -5.07 121.76 113.02 2p0p s ALA 22 Ca 0.29 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 51.12 2p0p s ALA 22 Cb 0.16 0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.33 2p0p s ALA 22 CO 0.31 -0.06 0.03 -0.85 0.00 0.00 0.00 175.76 175.19 2p0p n GLU 23 N 0.66 -0.00 -4.13 0.00 0.28 -1.26 -4.89 120.64 111.29 2p0p n GLU 23 Ca -0.17 -0.03 -0.16 0.00 -0.16 0.00 0.00 57.16 56.65 2p0p n GLU 23 Cb 0.57 -0.47 -0.12 0.00 1.43 0.00 0.00 31.44 32.85 2p0p n GLU 23 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2p0p s ASP 24 N -0.01 1.17 0.37 -1.84 2.15 -1.26 -5.03 116.67 112.22 2p0p s ASP 24 Ca 0.00 -0.53 0.13 0.00 0.43 0.00 0.00 52.55 52.58 2p0p s ASP 24 Cb 0.00 -0.01 0.95 0.00 -0.30 0.00 0.00 42.92 43.56 2p0p s ASP 24 CO 0.00 -0.12 1.81 0.07 -0.17 0.00 0.00 175.17 176.76 2p0p h LYS 25 N 4.58 0.53 -0.26 4.34 2.10 -1.97 0.11 116.57 126.01 2p0p h LYS 25 Ca -0.37 -0.03 -0.09 0.00 -2.00 0.00 0.00 60.65 58.16 2p0p h LYS 25 Cb 1.20 -0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 32.40 2p0p h LYS 25 CO 0.41 0.35 -0.17 0.93 -2.00 0.00 0.00 179.45 178.97 2p0p h GLU 26 N 0.55 0.57 -0.34 0.07 5.08 -1.95 -0.27 114.58 118.29 2p0p h GLU 26 Ca 0.53 -0.27 -0.10 0.00 -1.00 0.00 0.00 59.36 58.52 2p0p h GLU 26 Cb 1.12 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 2p0p h GLU 26 CO -0.27 0.85 -0.20 0.93 -1.00 0.00 0.00 179.01 179.32 2p0p h GLU 27 N 0.29 0.64 -0.03 2.33 4.39 -1.55 -1.67 114.58 118.98 2p0p h GLU 27 Ca 0.05 -0.23 -0.16 0.00 0.34 0.00 0.00 59.36 59.36 2p0p h GLU 27 Cb 0.71 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.30 2p0p h GLU 27 CO 0.05 0.79 -0.70 0.00 -1.16 0.00 0.00 179.01 177.99 2p0p h ARG 28 N 0.57 0.16 -0.74 2.33 3.08 -0.74 -0.84 114.38 118.19 2p0p h ARG 28 Ca 0.09 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 2p0p h ARG 28 Cb 0.65 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.70 2p0p h ARG 28 CO 0.05 0.80 0.34 0.00 -1.07 0.00 0.00 179.97 180.08 2p0p h ALA 29 N 1.16 0.96 -0.83 0.04 0.00 -0.73 -1.78 119.26 118.08 2p0p h ALA 29 Ca -0.02 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2p0p h ALA 29 Cb 1.24 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 2p0p h ALA 29 CO 0.10 0.55 0.50 0.52 0.00 0.00 0.00 179.25 180.92 2p0p h MET 30 N 1.05 1.13 0.10 0.00 2.86 -0.89 -0.21 114.93 118.97 2p0p h MET 30 Ca 0.25 -0.10 0.01 0.00 -2.06 0.00 0.00 59.70 57.80 2p0p h MET 30 Cb 0.15 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 2p0p h MET 30 CO -0.03 0.80 -0.17 0.78 1.06 0.00 0.00 176.91 179.35 2p0p h GLY 31 N 1.15 -0.30 0.40 8.32 0.00 -0.65 0.13 103.07 112.11 2p0p h GLY 31 Ca 0.30 0.19 0.05 0.00 0.00 0.00 0.00 47.33 47.88 2p0p h GLY 31 CO -0.06 -0.16 -0.12 1.49 0.00 0.00 0.00 176.54 177.70 2p0p h TRP 32 N -0.32 -0.28 -0.49 5.60 4.06 -1.21 -2.69 115.95 120.62 2p0p h TRP 32 Ca 0.02 0.03 0.05 0.00 2.06 0.00 0.00 58.89 61.05 2p0p h TRP 32 Cb 0.34 0.16 -0.04 0.00 -1.00 0.00 0.00 29.16 28.62 2p0p h TRP 32 CO -0.17 -0.18 0.23 -0.92 -3.56 0.00 0.00 178.44 173.84 2p0p h TYR 33 N -0.09 0.42 0.09 0.49 5.03 -0.56 -1.35 116.97 121.00 2p0p h TYR 33 Ca 0.13 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.45 2p0p h TYR 33 Cb 0.28 -0.12 0.00 0.00 1.55 0.00 0.00 36.73 38.44 2p0p h TYR 33 CO -0.29 0.20 -0.04 1.88 -1.32 0.00 0.00 178.16 178.59 2p0p h TYR 34 N 0.46 -0.11 -0.09 -3.82 0.05 -0.44 0.90 116.97 113.91 2p0p h TYR 34 Ca 0.22 -0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.82 2p0p h TYR 34 Cb 0.14 0.04 -0.01 0.00 1.01 0.00 0.00 36.73 37.92 2p0p h TYR 34 CO -0.11 -0.01 -0.69 0.10 -1.05 0.00 0.00 178.16 176.40 2p0p h TYR 35 N -0.18 0.52 0.21 4.88 -0.00 -1.44 -2.41 116.97 118.55 2p0p h TYR 35 Ca -0.01 -0.22 -0.01 0.00 -0.00 0.00 0.00 58.73 58.49 2p0p h TYR 35 Cb 0.15 -0.08 0.00 0.00 -0.00 0.00 0.00 36.73 36.80 2p0p h TYR 35 CO -0.05 0.96 -0.10 -0.07 -0.00 0.00 0.00 178.16 178.89 2p0p h LEU 36 N 0.28 -0.24 -1.37 0.10 3.38 -1.00 -1.18 115.31 115.27 2p0p h LEU 36 Ca -0.02 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 57.87 2p0p h LEU 36 Cb 1.24 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 42.02 2p0p h LEU 36 CO 0.12 -0.04 0.44 -0.78 0.09 0.00 0.00 178.44 178.27 2p0p h ASP 37 N -0.44 0.71 0.66 -0.43 3.58 -0.84 0.15 116.42 119.82 2p0p h ASP 37 Ca -0.03 -0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.34 2p0p h ASP 37 Cb 0.33 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 2p0p h ASP 37 CO 0.05 0.50 -0.31 -0.78 -2.88 0.00 0.00 179.24 175.82 2p0p h ASP 38 N 0.83 0.00 0.05 2.28 3.58 -1.26 -3.34 116.42 118.56 2p0p h ASP 38 Ca 0.26 0.00 -0.37 0.00 0.42 0.00 0.00 57.03 57.34 2p0p h ASP 38 Cb 0.02 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.00 2p0p h ASP 38 CO -0.07 0.31 -2.34 0.41 -2.88 0.00 0.00 179.24 174.67 2p0p n THR 39 N -3.65 1.47 0.68 2.25 -1.04 -0.13 -4.55 114.28 109.30 2p0p n THR 39 Ca -0.01 -0.74 0.03 0.00 -2.04 0.00 0.00 64.05 61.30 2p0p n THR 39 Cb 0.43 -0.93 0.21 0.00 -1.82 0.00 0.00 70.33 68.21 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 -3.00 0.00 -3.60 -4.42 4.77 0.35 -4.43 117.00 106.67 2p0p n LEU 40 Ca -0.36 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 2p0p n LEU 40 Cb 1.08 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.17 2p0p n LEU 40 CO 0.37 0.00 0.00 -1.84 -1.33 0.00 0.00 177.39 174.59 2p0p n GLU 41 N -0.82 -1.02 -1.04 3.23 0.28 -1.26 -4.73 120.64 115.28 2p0p n GLU 41 Ca 0.05 -0.51 -0.34 0.00 -0.16 0.00 0.00 57.16 56.21 2p0p n GLU 41 Cb 0.02 0.91 0.12 0.00 1.43 0.00 0.00 31.44 33.92 2p0p n GLU 41 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2p0p n PHE 42 N -0.90 0.17 -1.57 -1.84 3.72 -1.26 -4.61 117.46 111.17 2p0p n PHE 42 Ca 0.00 0.36 -0.30 0.00 -0.05 0.00 0.00 57.45 57.45 2p0p n PHE 42 Cb 0.00 -1.98 0.07 0.00 -0.94 0.00 0.00 39.48 36.63 2p0p n PHE 42 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2p0p s PRO 43 N -3.73 2.44 0.06 -1.08 0.04 -1.26 -5.08 135.00 126.39 2p0p s PRO 43 Ca 0.67 0.76 0.01 0.00 0.04 0.00 0.00 61.00 62.48 2p0p s PRO 43 Cb -0.28 -1.95 -0.00 0.00 0.04 0.00 0.00 34.50 32.31 2p0p s PRO 43 CO 0.57 -1.40 0.06 1.97 0.04 0.00 0.00 177.00 178.23 2p0p n PHE 44 N -3.30 -0.33 -4.23 0.56 -1.74 -0.86 -5.00 117.46 102.56 2p0p n PHE 44 Ca 0.07 -0.43 -0.13 0.00 -0.56 0.00 0.00 57.45 56.40 2p0p n PHE 44 Cb 0.55 0.07 -0.10 0.00 1.52 0.00 0.00 39.48 41.52 2p0p n PHE 44 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2p0p s MET 45 N -2.19 1.13 0.21 3.97 0.23 -1.26 -0.22 119.30 121.18 2p0p s MET 45 Ca 0.06 -1.56 -0.14 0.00 -1.03 0.00 0.00 55.69 53.01 2p0p s MET 45 Cb 0.00 -0.11 0.05 0.00 -1.53 0.00 0.00 34.83 33.24 2p0p s MET 45 CO 0.04 -0.21 0.70 0.41 -2.03 0.00 0.00 175.02 173.93 2p0p n GLY 46 N -0.25 0.97 3.32 3.16 0.00 -0.13 -1.26 105.19 111.00 2p0p n GLY 46 Ca -0.04 -1.14 -0.35 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 -2.05 3.38 -0.48 1.61 2.47 0.34 -0.91 119.74 124.10 2p0p s LYS 47 Ca 0.15 -0.64 -0.29 0.00 -1.56 0.00 0.00 55.97 53.64 2p0p s LYS 47 Cb -0.03 -2.93 0.02 0.00 -1.46 0.00 0.00 37.83 33.43 2p0p s LYS 47 CO 0.06 -0.11 1.33 -0.46 0.16 0.00 0.00 175.35 176.33 2p0p s TRP 48 N 1.24 2.49 -0.68 4.03 -0.11 0.49 -0.96 118.94 125.43 2p0p s TRP 48 Ca 0.03 0.62 -0.06 0.00 1.22 0.00 0.00 56.10 57.90 2p0p s TRP 48 Cb -0.14 -4.38 -0.10 0.00 -1.50 0.00 0.00 33.47 27.35 2p0p s TRP 48 CO -0.02 -1.78 3.11 1.63 -4.62 0.00 0.00 176.95 175.27 2p0p n LYS 49 N 8.19 2.87 -1.27 5.86 4.76 -0.31 -1.46 118.16 136.80 2p0p n LYS 49 Ca 0.14 -1.93 -0.34 0.00 -2.87 0.00 0.00 58.31 53.30 2p0p n LYS 49 Cb 0.49 -2.31 0.11 0.00 -1.84 0.00 0.00 35.03 31.48 2p0p n LYS 49 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2p0p s LYS 50 N 0.38 1.86 -0.18 1.97 2.20 -0.03 -4.68 119.74 121.25 2p0p s LYS 50 Ca 0.64 1.84 -0.04 0.00 -0.36 0.00 0.00 55.97 58.06 2p0p s LYS 50 Cb 0.28 -1.79 -0.02 0.00 -1.51 0.00 0.00 37.83 34.79 2p0p s LYS 50 CO -0.08 -2.07 -0.03 0.15 -0.36 0.00 0.00 175.35 172.96 2p0p s LYS 51 N -3.94 3.56 0.32 4.03 3.01 -1.26 -0.26 119.74 125.19 2p0p s LYS 51 Ca 0.76 -0.56 0.02 0.00 -1.01 0.00 0.00 55.97 55.18 2p0p s LYS 51 Cb -0.31 -2.97 -0.02 0.00 -1.01 0.00 0.00 37.83 33.52 2p0p s LYS 51 CO 0.48 0.05 0.33 -1.12 0.51 0.00 0.00 175.35 175.60 2p0p s SER 52 N 0.85 1.18 0.44 2.83 0.01 -0.02 -4.91 113.70 114.08 2p0p s SER 52 Ca -0.01 -1.60 0.00 0.00 1.31 0.00 0.00 55.95 55.66 2p0p s SER 52 Cb -0.14 0.57 0.00 0.00 0.21 0.00 0.00 66.02 66.66 2p0p s SER 52 CO 0.02 -1.12 0.00 0.54 0.41 0.00 0.00 173.24 173.09 2p0p n ARG 53 N -0.55 -2.93 0.14 12.44 3.00 -1.26 -1.01 116.66 126.48 2p0p n ARG 53 Ca 0.04 2.17 0.05 0.00 -0.01 0.00 0.00 57.85 60.10 2p0p n ARG 53 Cb 0.62 -3.51 0.51 0.00 0.00 0.00 0.00 32.46 30.09 2p0p n ARG 53 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 2p0p h LYS 54 N -1.30 0.22 0.00 5.56 1.57 -2.00 -2.25 116.57 118.38 2p0p h LYS 54 Ca -0.07 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2p0p h LYS 54 Cb 1.28 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.54 2p0p h LYS 54 CO 0.04 0.20 0.00 0.25 -0.57 0.00 0.00 179.45 179.38 2p0p n THR 55 N -4.45 0.48 -2.71 -0.16 -2.24 -1.26 -4.90 114.28 99.03 2p0p n THR 55 Ca -0.01 0.12 -0.17 0.00 -2.27 0.00 0.00 64.05 61.72 2p0p n THR 55 Cb 0.12 -0.79 -0.00 0.00 -2.10 0.00 0.00 70.33 67.57 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 -1.36 -4.45 -4.76 3.42 7.64 -0.85 -4.95 113.62 108.31 2p0p n SER 56 Ca 0.08 -0.02 -0.39 0.00 1.01 0.00 0.00 58.87 59.54 2p0p n SER 56 Cb 0.18 -3.72 0.02 0.00 -1.01 0.00 0.00 64.21 59.69 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 -2.82 2.16 0.35 0.44 2.01 -0.18 -4.34 115.64 113.26 2p0p s THR 57 Ca 0.13 0.13 -0.28 0.00 0.31 0.00 0.00 61.69 61.98 2p0p s THR 57 Cb -0.06 -3.07 -0.10 0.00 0.01 0.00 0.00 72.50 69.27 2p0p s THR 57 CO 0.16 0.01 1.38 -0.63 -0.69 0.00 0.00 174.62 174.85 2p0p s ILE 58 N -1.26 2.43 0.12 1.82 -1.09 -1.26 -0.84 121.20 121.12 2p0p s ILE 58 Ca 0.64 0.43 0.07 0.00 -2.23 0.00 0.00 60.65 59.56 2p0p s ILE 58 Cb -0.41 -3.27 -0.04 0.00 -1.58 0.00 0.00 42.46 37.16 2p0p s ILE 58 CO 0.52 0.10 -0.16 -1.61 -1.23 0.00 0.00 174.94 172.56 2p0p s GLU 59 N -1.95 1.06 -0.27 2.79 0.41 0.64 -4.89 118.70 116.50 2p0p s GLU 59 Ca 0.51 -1.22 -0.00 0.00 -0.41 0.00 0.00 54.97 53.84 2p0p s GLU 59 Cb -0.43 -1.05 0.08 0.00 -1.78 0.00 0.00 34.13 30.95 2p0p s GLU 59 CO 0.57 0.22 0.04 -1.21 -0.49 0.00 0.00 175.26 174.38 2p0p s GLU 60 N -2.46 1.03 -0.22 1.61 2.02 -1.26 -0.85 118.70 118.57 2p0p s GLU 60 Ca 0.08 -0.98 -0.05 0.00 0.02 0.00 0.00 54.97 54.05 2p0p s GLU 60 Cb -0.06 -2.31 -0.01 0.00 0.10 0.00 0.00 34.13 31.85 2p0p s GLU 60 CO 0.04 -0.79 -0.02 0.21 0.02 0.00 0.00 175.26 174.71 2p0p s LYS 61 N 1.54 3.44 0.15 1.61 2.20 -0.53 -4.94 119.74 123.20 2p0p s LYS 61 Ca 0.03 -0.59 -0.31 0.00 -0.36 0.00 0.00 55.97 54.74 2p0p s LYS 61 Cb -0.18 -3.07 -0.08 0.00 -1.51 0.00 0.00 37.83 32.99 2p0p s LYS 61 CO -0.14 -0.19 1.33 0.99 -0.36 0.00 0.00 175.35 176.98 2p0p s THR 62 N 1.48 3.35 0.01 3.43 2.01 -1.26 -0.38 115.64 124.28 2p0p s THR 62 Ca 0.06 1.04 -0.00 0.00 0.31 0.00 0.00 61.69 63.09 2p0p s THR 62 Cb -0.14 -3.66 -0.01 0.00 0.01 0.00 0.00 72.50 68.69 2p0p s THR 62 CO -0.02 0.12 -0.00 0.68 -0.69 0.00 0.00 174.62 174.70 2p0p s VAL 63 N 0.63 0.06 -0.15 3.82 -7.23 -0.09 -1.04 120.40 116.40 2p0p s VAL 63 Ca 0.60 -0.51 -0.12 0.00 -1.81 0.00 0.00 61.98 60.14 2p0p s VAL 63 Cb -0.36 -0.17 -0.05 0.00 0.56 0.00 0.00 36.38 36.37 2p0p s VAL 63 CO 0.34 -0.28 0.25 -0.70 -0.31 0.00 0.00 175.10 174.40 2p0p s GLU 64 N -0.82 4.14 -0.35 4.82 2.12 -0.37 -0.96 118.70 127.27 2p0p s GLU 64 Ca -0.09 0.03 -0.14 0.00 0.36 0.00 0.00 54.97 55.13 2p0p s GLU 64 Cb -0.06 -3.39 -0.01 0.00 0.26 0.00 0.00 34.13 30.94 2p0p s GLU 64 CO -0.00 0.33 0.29 0.08 -0.54 0.00 0.00 175.26 175.41 2p0p s VAL 65 N 0.20 5.25 0.02 3.70 1.01 0.70 -0.57 120.40 130.71 2p0p s VAL 65 Ca 0.15 -0.20 0.08 0.00 0.00 0.00 0.00 61.98 62.00 2p0p s VAL 65 Cb -0.13 -3.78 -0.23 0.00 0.00 0.00 0.00 36.38 32.24 2p0p s VAL 65 CO 0.03 -0.08 0.90 -0.07 0.00 0.00 0.00 175.10 175.89 2p0p h LEU 66 N 8.59 0.07 0.00 3.92 4.07 -1.32 -2.28 115.31 128.37 2p0p h LEU 66 Ca -0.30 -0.11 0.00 0.00 0.08 0.00 0.00 57.88 57.54 2p0p h LEU 66 Cb 1.15 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.86 2p0p h LEU 66 CO 0.67 1.10 0.00 0.61 -1.08 0.00 0.00 178.44 179.73 2p0p n GLY 67 N 1.51 1.54 3.78 0.83 0.00 -1.25 -4.57 105.19 107.03 2p0p n GLY 67 Ca -0.11 -0.94 -0.34 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.00 3.25 0.95 1.61 -1.94 -1.26 -0.53 119.30 119.37 2p0p s MET 68 Ca 0.00 1.43 -0.12 0.00 -1.71 0.00 0.00 55.69 55.29 2p0p s MET 68 Cb 0.00 -2.01 0.16 0.00 2.01 0.00 0.00 34.83 34.99 2p0p s MET 68 CO 0.00 -0.90 1.09 0.00 -0.01 0.00 0.00 175.02 175.20 2p0p s ALA 69 N -2.10 1.16 0.91 3.03 0.00 -0.17 -4.52 121.76 120.08 2p0p s ALA 69 Ca 0.68 -0.05 -0.15 0.00 0.00 0.00 0.00 51.96 52.45 2p0p s ALA 69 Cb -0.20 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 2p0p s ALA 69 CO 0.32 -2.68 0.06 -2.30 0.00 0.00 0.00 175.76 171.17 2p0p n PRO 70 N -4.11 -0.11 -0.34 0.00 -0.02 -1.26 -4.59 135.00 124.57 2p0p n PRO 70 Ca 0.07 -0.00 0.24 0.00 -2.02 0.00 0.00 63.50 61.78 2p0p n PRO 70 Cb 0.55 -1.58 0.52 0.00 -0.02 0.00 0.00 33.50 32.97 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 -1.17 0.44 0.27 2.55 3.58 -1.97 -0.30 116.42 119.82 2p0p h ASP 71 Ca -0.44 0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.09 2p0p h ASP 71 Cb 1.30 0.03 -0.00 0.00 1.72 0.00 0.00 39.33 42.38 2p0p h ASP 71 CO 0.33 0.05 -0.07 -0.78 -2.88 0.00 0.00 179.24 175.89 2p0p h ASP 72 N 0.37 0.00 0.00 2.28 3.58 -2.02 -3.06 116.42 117.57 2p0p h ASP 72 Ca 0.62 0.00 -0.38 0.00 0.42 0.00 0.00 57.03 57.69 2p0p h ASP 72 Cb 1.60 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 42.59 2p0p h ASP 72 CO -0.33 0.07 -2.32 -0.62 -2.88 0.00 0.00 179.24 173.17 2p0p n GLU 73 N -3.61 0.53 0.00 0.28 -0.58 -0.17 -4.48 120.64 112.62 2p0p n GLU 73 Ca -0.02 0.19 0.09 0.00 -0.42 0.00 0.00 57.16 57.00 2p0p n GLU 73 Cb 0.19 -1.39 0.50 0.00 -0.57 0.00 0.00 31.44 30.16 2p0p n GLU 73 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2p0p n LEU 75 N -1.12 0.06 0.00 0.00 4.77 -1.16 -4.19 117.00 115.36 2p0p n LEU 75 Ca 0.11 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.61 2p0p n LEU 75 Cb 0.09 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 2p0p n LEU 75 CO 0.12 -0.22 -0.10 2.29 -1.33 0.00 0.00 177.39 178.15 2p0p n LYS 76 N -1.57 2.29 -3.60 3.23 0.00 -0.90 -4.40 118.16 113.21 2p0p n LYS 76 Ca 0.04 0.00 -0.16 0.00 -0.00 0.00 0.00 58.31 58.19 2p0p n LYS 76 Cb 0.21 -0.60 -0.07 0.00 -0.00 0.00 0.00 35.03 34.58 2p0p n LYS 76 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2p0p s ASP 77 N -1.01 -0.51 -1.36 -5.58 2.15 -1.12 -4.60 116.67 104.65 2p0p s ASP 77 Ca 0.00 0.52 -0.16 0.00 0.43 0.00 0.00 52.55 53.35 2p0p s ASP 77 Cb 0.00 0.48 0.07 0.00 -0.30 0.00 0.00 42.92 43.16 2p0p s ASP 77 CO 0.00 -0.55 1.92 0.23 -0.17 0.00 0.00 175.17 176.60 2p0p n MET 78 N 1.05 3.09 -2.70 4.34 2.81 -1.26 -3.80 117.12 120.65 2p0p n MET 78 Ca -0.20 -3.06 -0.32 0.00 -1.81 0.00 0.00 57.70 52.32 2p0p n MET 78 Cb 0.57 -3.37 -0.04 0.00 -0.71 0.00 0.00 33.22 29.66 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 3.55 3.42 0.02 2.03 2.02 -1.26 -1.01 117.35 126.12 2p0p s TYR 79 Ca 0.50 1.35 0.02 0.00 -0.37 0.00 0.00 57.07 58.57 2p0p s TYR 79 Cb 0.08 -2.67 -0.01 0.00 -0.40 0.00 0.00 41.96 38.95 2p0p s TYR 79 CO 0.01 -0.18 -0.06 0.14 -1.57 0.00 0.00 175.55 173.88 2p0p s VAL 80 N -2.38 0.43 0.28 0.71 -7.23 0.43 -0.99 120.40 111.64 2p0p s VAL 80 Ca 0.57 -0.68 -0.29 0.00 -1.81 0.00 0.00 61.98 59.77 2p0p s VAL 80 Cb -0.10 -0.45 -0.09 0.00 0.56 0.00 0.00 36.38 36.30 2p0p s VAL 80 CO 0.26 -0.18 1.01 -1.61 -0.31 0.00 0.00 175.10 174.27 2p0p s GLU 81 N -0.93 4.68 -0.05 4.82 2.02 0.31 -0.73 118.70 128.82 2p0p s GLU 81 Ca -0.05 1.60 -0.05 0.00 0.02 0.00 0.00 54.97 56.48 2p0p s GLU 81 Cb -0.06 -3.12 0.01 0.00 0.10 0.00 0.00 34.13 31.06 2p0p s GLU 81 CO 0.00 0.31 0.15 0.08 0.02 0.00 0.00 175.26 175.82 2p0p s VAL 82 N -1.27 0.01 -0.10 2.63 1.01 -0.15 -0.94 120.40 121.59 2p0p s VAL 82 Ca 0.45 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.35 2p0p s VAL 82 Cb -0.27 -0.24 -0.02 0.00 0.00 0.00 0.00 36.38 35.84 2p0p s VAL 82 CO 0.34 -0.04 -0.10 0.00 0.00 0.00 0.00 175.10 175.30 2p0p s ALA 83 N -0.08 2.79 -1.46 5.51 0.00 0.27 -0.33 121.76 128.45 2p0p s ALA 83 Ca -0.02 -0.90 -0.11 0.00 0.00 0.00 0.00 51.96 50.93 2p0p s ALA 83 Cb -0.02 -1.21 0.03 0.00 0.00 0.00 0.00 23.12 21.92 2p0p s ALA 83 CO 0.00 0.41 2.39 -3.47 0.00 0.00 0.00 175.76 175.09 2p0p n ASP 84 N 2.87 5.81 0.24 0.00 2.03 -1.16 -1.24 116.55 125.10 2p0p n ASP 84 Ca -0.18 -2.84 0.15 0.00 0.52 0.00 0.00 54.79 52.45 2p0p n ASP 84 Cb 0.53 -1.57 0.82 0.00 -0.72 0.00 0.00 41.12 40.17 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 3.55 0.00 -0.00 5.18 3.07 -1.84 0.23 117.51 127.70 2p0p h ILE 85 Ca 0.64 0.00 0.00 0.00 1.55 0.00 0.00 64.86 67.05 2p0p h ILE 85 Cb 0.51 0.67 0.00 0.00 -0.27 0.00 0.00 36.82 37.73 2p0p h ILE 85 CO 1.78 0.00 -0.10 0.61 -1.05 0.00 0.00 178.15 179.39 2p0p n GLY 86 N -1.21 -0.84 0.00 0.16 0.00 -0.20 -4.72 105.19 98.37 2p0p n GLY 86 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.14 0.35 -0.02 0.00 -0.14 -4.84 105.19 101.64 2p0p n GLY 87 Ca 0.16 0.30 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 0.91 0.00 1.61 1.79 -1.76 -3.46 116.57 115.67 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 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 30.44 2p0p h LYS 88 CO 0.00 0.60 0.00 -3.47 -1.08 0.00 0.00 179.45 175.50 2p0p n ASP 89 N -4.44 0.00 -0.20 0.86 2.03 0.63 -4.37 116.55 111.06 2p0p n ASP 89 Ca 0.09 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.41 2p0p n ASP 89 Cb 0.08 -0.23 0.05 0.00 -0.72 0.00 0.00 41.12 40.30 2p0p n ASP 89 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2p0p n ASP 90 N 0.00 2.28 -4.23 1.67 2.03 -1.26 -4.75 116.55 112.29 2p0p n ASP 90 Ca 0.00 -1.99 -0.13 0.00 0.52 0.00 0.00 54.79 53.19 2p0p n ASP 90 Cb 0.00 -0.07 -0.10 0.00 -0.72 0.00 0.00 41.12 40.23 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 -1.00 1.30 0.04 1.67 2.15 -1.26 -5.11 116.67 114.46 2p0p s ASP 91 Ca 0.07 -1.11 0.04 0.00 0.43 0.00 0.00 52.55 51.98 2p0p s ASP 91 Cb 0.04 0.09 -0.02 0.00 -0.30 0.00 0.00 42.92 42.73 2p0p s ASP 91 CO 0.05 -0.51 -0.13 -0.69 -0.17 0.00 0.00 175.17 173.72 2p0p s VAL 92 N -3.60 1.02 0.11 1.11 1.01 -1.26 -2.98 120.40 115.81 2p0p s VAL 92 Ca 0.20 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.25 2p0p s VAL 92 Cb 0.05 -0.93 -0.01 0.00 0.00 0.00 0.00 36.38 35.50 2p0p s VAL 92 CO 0.01 -0.01 0.06 -1.22 0.00 0.00 0.00 175.10 173.94 2p0p n TYR 93 N 1.94 -0.05 -4.82 5.22 4.01 0.55 -4.99 117.16 119.04 2p0p n TYR 93 Ca -0.18 -0.78 -0.28 0.00 -0.16 0.00 0.00 57.90 56.50 2p0p n TYR 93 Cb 0.55 0.03 -0.15 0.00 -0.31 0.00 0.00 39.34 39.46 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 -2.12 1.83 0.06 -0.72 2.01 -1.26 -0.98 115.64 114.46 2p0p s THR 94 Ca 0.08 -1.21 0.02 0.00 0.31 0.00 0.00 61.69 60.89 2p0p s THR 94 Cb 0.00 -1.57 -0.03 0.00 0.01 0.00 0.00 72.50 70.91 2p0p s THR 94 CO 0.06 0.31 -0.07 0.00 -0.69 0.00 0.00 174.62 174.23 2p0p s ALA 95 N -0.75 0.68 -0.02 7.40 0.00 0.09 -4.93 121.76 124.24 2p0p s ALA 95 Ca 0.09 -0.93 -0.30 0.00 0.00 0.00 0.00 51.96 50.82 2p0p s ALA 95 Cb -0.09 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.08 2p0p s ALA 95 CO 0.01 -0.08 1.01 -1.59 0.00 0.00 0.00 175.76 175.11 2p0p s LYS 96 N -2.22 4.51 0.48 0.00 0.00 -1.26 -0.43 119.74 120.82 2p0p s LYS 96 Ca -0.04 1.45 0.15 0.00 0.00 0.00 0.00 55.97 57.53 2p0p s LYS 96 Cb -0.06 -3.47 1.14 0.00 0.00 0.00 0.00 37.83 35.44 2p0p s LYS 96 CO -0.01 -0.14 2.07 1.25 0.00 0.00 0.00 175.35 178.53 2p0p h LEU 97 N 7.11 0.18 -1.69 2.77 5.85 -1.40 -0.57 115.31 127.57 2p0p h LEU 97 Ca -0.39 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.33 2p0p h LEU 97 Cb 1.20 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.19 2p0p h LEU 97 CO 0.78 0.13 0.42 0.28 -0.34 0.00 0.00 178.44 179.71 2p0p h SER 98 N 0.21 0.00 -0.09 1.25 0.02 -1.92 -2.56 113.55 110.46 2p0p h SER 98 Ca 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2p0p h SER 98 Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 2p0p h SER 98 CO -0.02 0.00 0.00 -0.67 -1.14 0.00 0.00 176.83 175.00 2p0p n ASP 99 N -2.80 2.48 -4.43 3.07 2.03 -0.22 -5.00 116.55 111.68 2p0p n ASP 99 Ca -0.02 -2.43 -0.27 0.00 0.52 0.00 0.00 54.79 52.59 2p0p n ASP 99 Cb 0.46 -0.22 -0.12 0.00 -0.72 0.00 0.00 41.12 40.52 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 -1.74 2.39 -0.20 5.18 1.01 -0.97 -1.16 121.20 125.71 2p0p s ILE 100 Ca 0.18 -1.94 0.01 0.00 0.00 0.00 0.00 60.65 58.90 2p0p s ILE 100 Cb 0.14 -2.13 0.03 0.00 0.01 0.00 0.00 42.46 40.51 2p0p s ILE 100 CO 0.05 -0.07 -0.17 -0.70 0.00 0.00 0.00 174.94 174.05 2p0p s GLU 101 N -2.53 2.87 0.26 2.79 2.12 -0.13 -4.93 118.70 119.14 2p0p s GLU 101 Ca 0.19 -0.92 -0.29 0.00 0.36 0.00 0.00 54.97 54.31 2p0p s GLU 101 Cb -0.08 -2.66 -0.09 0.00 0.26 0.00 0.00 34.13 31.55 2p0p s GLU 101 CO 0.09 -0.28 0.97 0.00 -0.54 0.00 0.00 175.26 175.50 2p0p s ALA 102 N 1.27 3.33 0.00 6.30 0.00 -1.26 -0.50 121.76 130.90 2p0p s ALA 102 Ca 0.02 0.66 0.05 0.00 0.00 0.00 0.00 51.96 52.68 2p0p s ALA 102 Cb -0.14 -3.23 -0.01 0.00 0.00 0.00 0.00 23.12 19.74 2p0p s ALA 102 CO -0.11 0.14 -0.14 0.42 0.00 0.00 0.00 175.76 176.07 2p0p s ILE 103 N -1.23 1.13 -1.50 0.00 1.01 -0.39 -4.85 121.20 115.38 2p0p s ILE 103 Ca 0.43 -0.70 -0.13 0.00 0.00 0.00 0.00 60.65 60.25 2p0p s ILE 103 Cb -0.26 -0.96 0.09 0.00 0.01 0.00 0.00 42.46 41.34 2p0p s ILE 103 CO 0.33 0.25 0.79 -0.67 0.00 0.00 0.00 174.94 175.63 2p0p n ASP 104 N 2.54 -4.37 -4.70 3.58 2.03 -1.26 -4.16 116.55 110.21 2p0p n ASP 104 Ca -0.15 -0.67 -0.23 0.00 0.52 0.00 0.00 54.79 54.25 2p0p n ASP 104 Cb 0.55 -3.53 -0.07 0.00 -0.72 0.00 0.00 41.12 37.35 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 -3.18 2.95 0.68 5.18 0.11 -1.26 -4.91 120.40 119.97 2p0p s VAL 105 Ca 0.58 -1.78 -0.15 0.00 -2.93 0.00 0.00 61.98 57.70 2p0p s VAL 105 Cb -0.30 -2.93 0.01 0.00 -1.53 0.00 0.00 36.38 31.64 2p0p s VAL 105 CO 0.72 -0.20 1.15 -0.62 -3.33 0.00 0.00 175.10 172.82 2p0p s ASP 106 N -3.80 4.76 0.24 3.54 2.15 -1.26 -4.80 116.67 117.49 2p0p s ASP 106 Ca 0.36 2.16 -0.05 0.00 0.43 0.00 0.00 52.55 55.45 2p0p s ASP 106 Cb -0.02 -2.57 0.36 0.00 -0.30 0.00 0.00 42.92 40.39 2p0p s ASP 106 CO 0.22 -1.87 1.82 -0.78 -0.17 0.00 0.00 175.17 174.39 2p0p h ASP 107 N -0.04 0.72 0.17 -0.34 3.58 -2.00 -0.25 116.42 118.26 2p0p h ASP 107 Ca -0.47 0.04 -0.15 0.00 0.42 0.00 0.00 57.03 56.86 2p0p h ASP 107 Cb 1.27 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 42.20 2p0p h ASP 107 CO 0.52 0.43 -0.57 -0.78 -2.88 0.00 0.00 179.24 175.97 2p0p h ASP 108 N 0.84 0.46 0.27 2.28 3.58 -1.94 0.33 116.42 122.23 2p0p h ASP 108 Ca 0.38 -0.25 -0.01 0.00 0.42 0.00 0.00 57.03 57.56 2p0p h ASP 108 Cb 0.28 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.20 2p0p h ASP 108 CO -0.21 0.93 -0.13 0.74 -2.88 0.00 0.00 179.24 177.69 2p0p h THR 109 N 0.31 0.78 -0.49 2.25 2.02 -1.66 -1.88 112.91 114.25 2p0p h THR 109 Ca 0.00 -0.37 0.02 0.00 0.77 0.00 0.00 66.41 66.83 2p0p h THR 109 Cb 1.09 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 68.46 2p0p h THR 109 CO 0.10 0.08 0.30 -0.61 0.37 0.00 0.00 175.52 175.76 2p0p h GLN 110 N -0.55 0.59 -0.59 6.66 -0.00 -0.88 -2.20 115.11 118.14 2p0p h GLN 110 Ca -0.04 -0.04 -0.04 0.00 -0.00 0.00 0.00 58.65 58.53 2p0p h GLN 110 Cb 0.41 -0.13 -0.03 0.00 0.00 0.00 0.00 27.48 27.73 2p0p h GLN 110 CO 0.06 0.39 0.19 0.93 0.00 0.00 0.00 178.83 180.40 2p0p h GLU 111 N 0.61 0.88 -0.69 1.69 4.39 -0.92 0.62 114.58 121.16 2p0p h GLU 111 Ca 0.19 -0.16 -0.07 0.00 0.34 0.00 0.00 59.36 59.66 2p0p h GLU 111 Cb -0.01 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.47 2p0p h GLU 111 CO -0.07 0.76 0.17 0.00 -1.16 0.00 0.00 179.01 178.71 2p0p h ALA 112 N 1.35 0.91 -0.25 3.43 0.00 -0.82 0.41 119.26 124.29 2p0p h ALA 112 Ca 0.20 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 2p0p h ALA 112 Cb 0.24 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2p0p h ALA 112 CO -0.01 0.62 -0.13 0.82 0.00 0.00 0.00 179.25 180.55 2p0p h ILE 113 N 1.03 1.30 -0.82 0.00 2.04 -0.87 -1.23 117.51 118.97 2p0p h ILE 113 Ca 0.22 -1.22 0.02 0.00 1.00 0.00 0.00 64.86 64.88 2p0p h ILE 113 Cb 0.36 1.58 -0.05 0.00 -0.74 0.00 0.00 36.82 37.97 2p0p h ILE 113 CO 0.00 0.38 0.54 0.00 0.00 0.00 0.00 178.15 179.07 2p0p h ALA 114 N 0.72 1.07 -0.42 1.87 0.00 -0.73 -0.95 119.26 120.82 2p0p h ALA 114 Ca 0.05 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 2p0p h ALA 114 Cb 0.64 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2p0p h ALA 114 CO 0.04 0.40 -0.23 0.22 0.00 0.00 0.00 179.25 179.67 2p0p h ASP 115 N 1.06 0.87 -0.45 0.00 3.58 -0.75 0.56 116.42 121.30 2p0p h ASP 115 Ca 0.32 -0.32 0.02 0.00 0.42 0.00 0.00 57.03 57.46 2p0p h ASP 115 Cb -0.05 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 40.73 2p0p h ASP 115 CO -0.09 1.07 0.27 -0.25 -2.88 0.00 0.00 179.24 177.35 2p0p h TRP 116 N 0.74 0.51 -0.64 0.28 2.91 -0.90 -0.56 115.95 118.29 2p0p h TRP 116 Ca 0.10 0.02 -0.05 0.00 1.13 0.00 0.00 58.89 60.08 2p0p h TRP 116 Cb 0.77 -0.17 -0.03 0.00 -0.51 0.00 0.00 29.16 29.22 2p0p h TRP 116 CO 0.04 0.30 0.20 -0.07 -1.03 0.00 0.00 178.44 177.89 2p0p h LEU 117 N 0.55 0.93 -0.61 0.65 3.38 -0.65 0.01 115.31 119.57 2p0p h LEU 117 Ca 0.18 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 2p0p h LEU 117 Cb -0.01 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 2p0p h LEU 117 CO -0.07 0.89 0.18 1.88 0.09 0.00 0.00 178.44 181.41 2p0p h TYR 118 N 0.92 0.99 -0.91 1.13 0.05 -0.73 -1.66 116.97 116.76 2p0p h TYR 118 Ca 0.21 -0.10 -0.00 0.00 0.05 0.00 0.00 58.73 58.88 2p0p h TYR 118 Cb 0.29 -0.29 -0.04 0.00 1.01 0.00 0.00 36.73 37.70 2p0p h TYR 118 CO 0.02 0.82 0.57 2.35 -1.05 0.00 0.00 178.16 180.87 2p0p h TRP 119 N 0.88 1.18 -0.51 4.88 2.91 -0.76 0.62 115.95 125.15 2p0p h TRP 119 Ca 0.20 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.21 2p0p h TRP 119 Cb 0.30 -0.39 -0.02 0.00 -0.51 0.00 0.00 29.16 28.54 2p0p h TRP 119 CO 0.02 0.77 0.29 1.25 -1.03 0.00 0.00 178.44 179.74 2p0p h LEU 120 N 1.25 0.64 -0.69 0.65 5.85 -0.49 -2.05 115.31 120.47 2p0p h LEU 120 Ca 0.33 -0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.87 2p0p h LEU 120 Cb -0.08 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 2p0p h LEU 120 CO -0.06 0.54 -0.00 0.00 -0.34 0.00 0.00 178.44 178.57 2p0p h ALA 121 N 1.12 0.89 -0.21 1.25 0.00 -1.05 -2.26 119.26 119.01 2p0p h ALA 121 Ca 0.18 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.84 2p0p h ALA 121 Cb 0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2p0p h ALA 121 CO -0.03 0.65 0.15 -0.09 0.00 0.00 0.00 179.25 179.93 2p0p h ARG 122 N 0.93 0.05 0.00 0.00 9.65 -0.26 -3.25 114.38 121.50 2p0p h ARG 122 Ca 0.17 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.04 2p0p h ARG 122 Cb 0.54 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.11 2p0p h ARG 122 CO 0.03 0.03 0.00 0.41 2.80 0.00 0.00 179.97 183.24 2p0p n GLY 123 N -1.56 0.70 3.73 2.80 0.00 -0.83 -4.66 105.19 105.36 2p0p n GLY 123 Ca 0.02 0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 2.72 -0.04 1.61 9.36 -0.87 -4.85 117.16 125.10 2p0p n TYR 124 Ca 0.00 0.25 0.00 0.00 3.32 0.00 0.00 57.90 61.47 2p0p n TYR 124 Cb 0.00 -2.59 0.00 0.00 -0.63 0.00 0.00 39.34 36.12 2p0p n TYR 124 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 2p0p n LYS 125 N 2.46 3.71 0.00 2.98 2.85 -1.26 -5.10 118.16 123.80 2p0p n LYS 125 Ca 0.10 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.36 2p0p n LYS 125 Cb 0.35 -0.31 0.00 0.00 -0.65 0.00 0.00 35.03 34.42 2p0p n LYS 125 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 177.40 179.32