#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jj2 n ARG 2 N 0.00 2.39 -2.28 0.00 1.74 -1.26 -4.97 116.66 112.27 1jj2 n ARG 2 Ca 0.00 0.84 -0.30 0.00 -0.77 0.00 0.00 57.85 57.61 1jj2 n ARG 2 Cb 0.00 -2.51 -0.01 0.00 -1.02 0.00 0.00 32.46 28.93 1jj2 n ARG 2 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1jj2 s SER 3 N -0.09 6.37 0.34 0.55 1.04 -1.26 -4.94 113.70 115.71 1jj2 s SER 3 Ca 0.57 1.32 0.03 0.00 0.48 0.00 0.00 55.95 58.34 1jj2 s SER 3 Cb -0.53 -2.41 0.60 0.00 0.10 0.00 0.00 66.02 63.77 1jj2 s SER 3 CO 0.60 -0.68 1.94 0.00 0.98 0.00 0.00 173.24 176.07 1jj2 h ALA 4 N 0.29 1.44 -1.00 5.32 0.00 -2.03 -2.29 119.26 121.00 1jj2 h ALA 4 Ca -0.46 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 54.42 1jj2 h ALA 4 Cb 1.19 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.70 1jj2 h ALA 4 CO 0.62 0.43 0.64 1.88 0.00 0.00 0.00 179.25 182.82 1jj2 h TYR 5 N 0.70 1.17 -0.09 0.00 -1.99 -2.01 -0.71 116.97 114.03 1jj2 h TYR 5 Ca 0.17 0.03 0.03 0.00 2.00 0.00 0.00 58.73 60.96 1jj2 h TYR 5 Cb 0.12 -0.38 -0.00 0.00 2.00 0.00 0.00 36.73 38.47 1jj2 h TYR 5 CO 0.01 0.55 0.25 0.66 -0.00 0.00 0.00 178.16 179.62 1jj2 h SER 6 N 1.09 0.00 0.95 3.88 4.64 -1.78 0.50 113.55 122.82 1jj2 h SER 6 Ca 0.46 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.56 1jj2 h SER 6 Cb 0.30 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.37 1jj2 h SER 6 CO -0.21 0.00 -1.02 1.88 -0.87 0.00 0.00 176.83 176.61 1jj2 h TYR 7 N 0.00 0.06 -0.33 4.77 -1.99 -1.23 -1.83 116.97 116.41 1jj2 h TYR 7 Ca 0.04 -0.04 -0.18 0.00 2.00 0.00 0.00 58.73 60.56 1jj2 h TYR 7 Cb 0.54 -0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.27 1jj2 h TYR 7 CO 0.00 1.02 -0.48 0.82 -0.00 0.00 0.00 178.16 179.52 1jj2 h ILE 8 N 0.01 1.27 -0.18 -2.88 2.04 -0.98 -2.15 117.51 114.63 1jj2 h ILE 8 Ca -0.02 -1.66 -0.01 0.00 1.00 0.00 0.00 64.86 64.17 1jj2 h ILE 8 Cb 1.77 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 39.37 1jj2 h ILE 8 CO 0.14 0.55 0.08 -0.09 0.00 0.00 0.00 178.15 178.83 1jj2 h ARG 9 N 0.72 0.26 -1.01 2.37 2.43 -1.44 -2.10 114.38 115.61 1jj2 h ARG 9 Ca 0.03 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1jj2 h ARG 9 Cb 1.09 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 30.54 1jj2 h ARG 9 CO 0.11 0.31 0.67 1.49 -1.51 0.00 0.00 179.97 181.04 1jj2 h GLU 10 N 0.16 1.31 -0.34 0.20 4.57 -1.29 -2.33 114.58 116.86 1jj2 h GLU 10 Ca 0.06 -0.08 -0.03 0.00 -1.18 0.00 0.00 59.36 58.13 1jj2 h GLU 10 Cb 0.14 -0.30 -0.01 0.00 -0.16 0.00 0.00 28.75 28.42 1jj2 h GLU 10 CO -0.01 0.87 0.09 0.00 -1.18 0.00 0.00 179.01 178.78 1jj2 h ALA 11 N 1.38 0.44 0.00 2.92 0.00 -1.18 -2.82 119.26 120.00 1jj2 h ALA 11 Ca 0.38 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1jj2 h ALA 11 Cb -0.13 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1jj2 h ALA 11 CO -0.09 0.10 0.00 0.91 0.00 0.00 0.00 179.25 180.17 1jj2 n TRP 12 N -4.64 0.00 0.00 0.00 7.02 -0.81 -2.57 117.44 116.44 1jj2 n TRP 12 Ca -0.02 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.42 1jj2 n TRP 12 Cb 0.19 -0.27 0.17 0.00 -2.42 0.00 0.00 31.31 28.98 1jj2 n TRP 12 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 1jj2 h LYS 13 N 0.00 0.52 -2.47 -0.99 1.57 -1.18 -3.33 116.57 110.70 1jj2 h LYS 13 Ca 0.00 -0.21 -0.59 0.00 -1.87 0.00 0.00 60.65 57.98 1jj2 h LYS 13 Cb 0.16 -0.03 -0.40 0.00 0.08 0.00 0.00 32.23 32.04 1jj2 h LYS 13 CO 0.00 0.75 -0.81 0.54 -0.57 0.00 0.00 179.45 179.36 1jj2 n ARG 14 N -4.10 1.25 0.00 3.15 1.74 -1.06 -4.97 116.66 112.66 1jj2 n ARG 14 Ca -0.00 -3.87 0.00 0.00 -0.77 0.00 0.00 57.85 53.20 1jj2 n ARG 14 Cb 0.42 -1.88 0.00 0.00 -1.02 0.00 0.00 32.46 29.99 1jj2 n ARG 14 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1jj2 n PRO 15 N 1.89 0.00 -0.29 5.56 -0.04 -1.25 -1.48 135.00 139.39 1jj2 n PRO 15 Ca 0.25 0.34 0.07 0.00 -0.04 0.00 0.00 63.50 64.13 1jj2 n PRO 15 Cb 0.44 -1.52 0.21 0.00 -0.04 0.00 0.00 33.50 32.59 1jj2 n PRO 15 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1jj2 n LYS 16 N -1.33 2.96 -4.51 0.54 5.02 -1.26 -3.63 118.16 115.94 1jj2 n LYS 16 Ca 0.00 -2.34 -0.26 0.00 -2.02 0.00 0.00 58.31 53.69 1jj2 n LYS 16 Cb 0.02 -1.46 -0.10 0.00 -0.02 0.00 0.00 35.03 33.47 1jj2 n LYS 16 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1jj2 s GLU 17 N -1.36 1.83 1.34 1.97 0.41 -0.55 -4.79 118.70 117.55 1jj2 s GLU 17 Ca 0.32 -1.90 0.00 0.00 -0.41 0.00 0.00 54.97 52.99 1jj2 s GLU 17 Cb 0.19 -1.74 0.00 0.00 -1.78 0.00 0.00 34.13 30.81 1jj2 s GLU 17 CO 0.18 0.17 0.00 0.41 -0.49 0.00 0.00 175.26 175.53 1jj2 n GLY 18 N -0.79 0.95 0.24 -1.39 0.00 -1.26 -2.15 105.19 100.80 1jj2 n GLY 18 Ca -0.05 -0.58 -0.06 0.00 0.00 0.00 0.00 46.02 45.33 1jj2 n GLY 18 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1jj2 h GLN 19 N 0.00 0.79 -0.63 1.61 4.20 -1.98 -2.58 115.11 116.52 1jj2 h GLN 19 Ca 0.00 -0.05 0.04 0.00 0.06 0.00 0.00 58.65 58.71 1jj2 h GLN 19 Cb 0.00 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 27.57 1jj2 h GLN 19 CO 0.00 0.52 0.41 0.97 -0.67 0.00 0.00 178.83 180.07 1jj2 h ILE 20 N 0.82 1.05 -0.67 2.54 2.10 -1.90 -0.72 117.51 120.73 1jj2 h ILE 20 Ca 0.22 -0.24 0.06 0.00 1.08 0.00 0.00 64.86 65.99 1jj2 h ILE 20 Cb -0.09 0.30 -0.06 0.00 -1.09 0.00 0.00 36.82 35.89 1jj2 h ILE 20 CO -0.05 0.13 0.36 0.00 -1.08 0.00 0.00 178.15 177.51 1jj2 h ALA 21 N 1.65 0.89 -0.15 0.18 0.00 -1.01 -0.47 119.26 120.36 1jj2 h ALA 21 Ca 0.26 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 55.04 1jj2 h ALA 21 Cb 0.16 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1jj2 h ALA 21 CO -0.07 0.03 -0.55 1.49 0.00 0.00 0.00 179.25 180.15 1jj2 h GLU 22 N 0.67 0.44 0.04 0.00 4.81 -1.18 -2.30 114.58 117.04 1jj2 h GLU 22 Ca 0.30 -0.27 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1jj2 h GLU 22 Cb 0.21 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1jj2 h GLU 22 CO -0.19 0.87 -0.02 -0.07 -0.73 0.00 0.00 179.01 178.87 1jj2 h LEU 23 N 0.34 -0.04 -0.25 1.64 3.38 -0.45 -1.65 115.31 118.28 1jj2 h LEU 23 Ca 0.01 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 57.98 1jj2 h LEU 23 Cb 1.07 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.77 1jj2 h LEU 23 CO 0.10 0.02 -0.11 0.24 0.09 0.00 0.00 178.44 178.78 1jj2 h MET 24 N -0.10 -0.07 -0.61 1.13 2.86 -1.05 0.63 114.93 117.72 1jj2 h MET 24 Ca -0.01 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.75 1jj2 h MET 24 Cb 0.09 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.73 1jj2 h MET 24 CO 0.01 -0.05 0.41 2.35 1.06 0.00 0.00 176.91 180.69 1jj2 h TRP 25 N -0.07 0.37 0.25 -0.22 7.01 -1.24 -0.41 115.95 121.64 1jj2 h TRP 25 Ca 0.13 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.13 1jj2 h TRP 25 Cb 0.27 -0.12 0.00 0.00 -2.10 0.00 0.00 29.16 27.21 1jj2 h TRP 25 CO -0.29 0.17 -0.12 0.45 -2.79 0.00 0.00 178.44 175.86 1jj2 h HIS 26 N 0.34 -0.31 -0.35 2.65 3.86 0.07 -3.38 115.15 118.04 1jj2 h HIS 26 Ca 0.29 -0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.56 1jj2 h HIS 26 Cb 0.66 0.10 -0.08 0.00 1.06 0.00 0.00 27.41 29.15 1jj2 h HIS 26 CO -0.00 -0.19 -0.21 0.00 0.86 0.00 0.00 177.93 178.39 1jj2 h ARG 27 N -0.98 -0.16 -0.82 2.45 3.08 0.46 -2.59 114.38 115.83 1jj2 h ARG 27 Ca -0.03 0.01 0.22 0.00 0.07 0.00 0.00 59.98 60.25 1jj2 h ARG 27 Cb 0.26 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.30 1jj2 h ARG 27 CO 0.06 -0.10 0.58 0.52 -1.07 0.00 0.00 179.97 179.95 1jj2 h MET 28 N -0.16 0.09 -0.94 0.04 2.86 -1.27 0.19 114.93 115.74 1jj2 h MET 28 Ca 0.18 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.83 1jj2 h MET 28 Cb 0.43 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.02 1jj2 h MET 28 CO -0.45 0.06 0.62 1.96 1.06 0.00 0.00 176.91 180.17 1jj2 h GLN 29 N 0.09 1.22 0.16 1.72 4.20 -1.63 0.29 115.11 121.17 1jj2 h GLN 29 Ca 0.40 -0.07 -0.30 0.00 0.06 0.00 0.00 58.65 58.73 1jj2 h GLN 29 Cb 1.43 -0.28 0.02 0.00 0.30 0.00 0.00 27.48 28.96 1jj2 h GLN 29 CO -0.04 0.81 -1.30 0.93 -0.67 0.00 0.00 178.83 178.55 1jj2 h GLU 30 N 1.26 0.48 -0.28 1.46 5.08 -0.82 -3.28 114.58 118.48 1jj2 h GLU 30 Ca 0.35 -0.74 0.01 0.00 -1.00 0.00 0.00 59.36 57.99 1jj2 h GLU 30 Cb -0.11 0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1jj2 h GLU 30 CO -0.09 1.34 0.16 -1.49 -1.00 0.00 0.00 179.01 177.93 1jj2 h TRP 31 N 0.17 0.31 0.00 4.33 6.55 -0.52 -1.05 115.95 125.73 1jj2 h TRP 31 Ca -0.19 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.66 1jj2 h TRP 31 Cb 2.00 -0.10 0.00 0.00 -0.86 0.00 0.00 29.16 30.20 1jj2 h TRP 31 CO 0.10 0.18 0.10 0.00 -1.05 0.00 0.00 178.44 177.77 1jj2 h ARG 32 N 0.34 0.00 -0.02 0.49 3.08 -0.52 0.31 114.38 118.05 1jj2 h ARG 32 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1jj2 h ARG 32 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1jj2 h ARG 32 CO -0.05 0.00 -0.31 0.09 -1.07 0.00 0.00 179.97 178.63 1jj2 n ASN 33 N -3.01 1.93 -4.84 7.04 3.02 -0.45 -4.94 115.26 114.01 1jj2 n ASN 33 Ca -0.03 -1.46 -0.24 0.00 -0.03 0.00 0.00 54.58 52.82 1jj2 n ASN 33 Cb 0.16 0.28 0.07 0.00 -0.61 0.00 0.00 39.78 39.69 1jj2 n ASN 33 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1jj2 s GLU 34 N -2.36 2.10 0.16 3.52 2.02 0.11 -5.10 118.70 119.14 1jj2 s GLU 34 Ca 0.23 -0.60 -0.03 0.00 0.02 0.00 0.00 54.97 54.59 1jj2 s GLU 34 Cb 0.19 -2.28 0.04 0.00 0.10 0.00 0.00 34.13 32.17 1jj2 s GLU 34 CO 0.50 -1.19 0.21 -0.35 0.02 0.00 0.00 175.26 174.44 1jj2 n PRO 35 N -2.78 -0.33 -0.14 0.39 -0.04 -1.26 -4.99 135.00 125.84 1jj2 n PRO 35 Ca 0.10 -0.32 -0.10 0.00 -0.04 0.00 0.00 63.50 63.14 1jj2 n PRO 35 Cb 0.60 -0.22 -0.01 0.00 -0.04 0.00 0.00 33.50 33.83 1jj2 n PRO 35 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jj2 h ALA 36 N -1.98 0.54 -3.36 0.55 0.00 -1.92 -3.42 119.26 109.67 1jj2 h ALA 36 Ca -0.07 -0.24 -0.56 0.00 0.00 0.00 0.00 54.91 54.04 1jj2 h ALA 36 Cb 0.19 -0.15 -0.38 0.00 0.00 0.00 0.00 17.79 17.45 1jj2 h ALA 36 CO 0.05 0.30 -0.79 0.08 0.00 0.00 0.00 179.25 178.88 1jj2 s VAL 37 N -5.07 1.10 -0.17 0.00 1.01 -1.26 -1.44 120.40 114.57 1jj2 s VAL 37 Ca -0.13 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.17 1jj2 s VAL 37 Cb 0.10 -1.32 0.02 0.00 0.00 0.00 0.00 36.38 35.18 1jj2 s VAL 37 CO 0.79 0.07 -0.17 -0.69 0.00 0.00 0.00 175.10 175.10 1jj2 s VAL 38 N 1.63 1.85 0.18 2.92 1.01 -0.56 -4.97 120.40 122.45 1jj2 s VAL 38 Ca -0.00 -0.85 -0.30 0.00 0.00 0.00 0.00 61.98 60.83 1jj2 s VAL 38 Cb -0.16 -1.72 -0.08 0.00 0.00 0.00 0.00 36.38 34.42 1jj2 s VAL 38 CO -0.07 0.47 1.32 -0.60 0.00 0.00 0.00 175.10 176.22 1jj2 s ARG 39 N 1.37 4.37 0.00 2.72 3.52 -1.26 -1.32 118.95 128.36 1jj2 s ARG 39 Ca 0.04 2.05 0.08 0.00 -0.13 0.00 0.00 55.73 57.78 1jj2 s ARG 39 Cb -0.13 -3.21 -0.02 0.00 -1.56 0.00 0.00 34.95 30.03 1jj2 s ARG 39 CO -0.12 -0.29 -0.25 0.96 -0.81 0.00 0.00 175.30 174.79 1jj2 s ILE 40 N 0.35 2.00 0.25 4.11 -4.36 -0.74 -4.94 121.20 117.86 1jj2 s ILE 40 Ca 0.58 -1.17 -0.05 0.00 -0.26 0.00 0.00 60.65 59.75 1jj2 s ILE 40 Cb -0.36 -1.68 0.17 0.00 1.25 0.00 0.00 42.46 41.84 1jj2 s ILE 40 CO 0.36 0.48 1.82 -0.33 0.24 0.00 0.00 174.94 177.51 1jj2 h GLU 41 N 5.26 1.08 -5.04 0.37 5.08 -1.95 -3.39 114.58 115.99 1jj2 h GLU 41 Ca -0.44 -0.18 -0.38 0.00 -1.00 0.00 0.00 59.36 57.36 1jj2 h GLU 41 Cb 1.13 -0.18 -0.23 0.00 0.50 0.00 0.00 28.75 29.96 1jj2 h GLU 41 CO 0.46 0.87 -0.77 1.03 -1.00 0.00 0.00 179.01 179.60 1jj2 s ARG 42 N -5.51 0.75 0.22 2.33 1.81 -1.26 -4.95 118.95 112.34 1jj2 s ARG 42 Ca -0.11 -0.75 -0.30 0.00 -1.72 0.00 0.00 55.73 52.85 1jj2 s ARG 42 Cb 0.16 -0.70 -0.09 0.00 -0.45 0.00 0.00 34.95 33.87 1jj2 s ARG 42 CO 0.82 0.16 1.39 -2.14 -0.68 0.00 0.00 175.30 174.86 1jj2 s PRO 43 N -1.29 4.32 0.39 3.54 0.02 -1.26 -4.93 135.00 135.78 1jj2 s PRO 43 Ca -0.02 2.20 0.12 0.00 0.02 0.00 0.00 61.00 63.31 1jj2 s PRO 43 Cb -0.08 -3.15 0.79 0.00 0.02 0.00 0.00 34.50 32.08 1jj2 s PRO 43 CO 0.01 -0.36 1.89 1.15 -0.33 0.00 0.00 177.00 179.36 1jj2 h THR 44 N 3.65 1.21 -2.73 0.99 2.02 -2.00 -3.30 112.91 112.75 1jj2 h THR 44 Ca -0.45 -0.97 -0.61 0.00 0.77 0.00 0.00 66.41 65.14 1jj2 h THR 44 Cb 1.22 1.45 -0.42 0.00 -1.74 0.00 0.00 68.15 68.65 1jj2 h THR 44 CO 0.78 0.29 -0.58 0.54 0.37 0.00 0.00 175.52 176.91 1jj2 n ARG 45 N -4.21 2.10 -0.31 6.66 1.74 -1.26 -4.97 116.66 116.42 1jj2 n ARG 45 Ca -0.02 -4.55 0.15 0.00 -0.77 0.00 0.00 57.85 52.66 1jj2 n ARG 45 Cb 0.33 -2.27 0.33 0.00 -1.02 0.00 0.00 32.46 29.83 1jj2 n ARG 45 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1jj2 h LEU 46 N 4.91 0.28 -0.37 0.55 6.46 -1.98 -0.01 115.31 125.14 1jj2 h LEU 46 Ca 0.17 0.17 -0.02 0.00 -0.12 0.00 0.00 57.88 58.08 1jj2 h LEU 46 Cb 0.72 0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.80 1jj2 h LEU 46 CO 0.76 -0.07 0.16 -2.24 -0.62 0.00 0.00 178.44 176.44 1jj2 h ASP 47 N 0.34 0.49 -0.02 1.25 2.03 -1.93 -1.24 116.42 117.34 1jj2 h ASP 47 Ca 0.59 -0.15 0.02 0.00 -0.73 0.00 0.00 57.03 56.76 1jj2 h ASP 47 Cb 1.19 -0.13 -0.02 0.00 -0.83 0.00 0.00 39.33 39.54 1jj2 h ASP 47 CO -0.58 0.50 -0.07 -0.09 -1.03 0.00 0.00 179.24 177.97 1jj2 h ARG 48 N 0.45 -0.11 0.01 4.15 1.12 -1.44 -0.95 114.38 117.61 1jj2 h ARG 48 Ca 0.12 0.01 0.01 0.00 -1.11 0.00 0.00 59.98 59.01 1jj2 h ARG 48 Cb 0.15 0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.13 1jj2 h ARG 48 CO -0.01 -0.07 -0.05 0.00 -3.11 0.00 0.00 179.97 176.72 1jj2 h ALA 49 N 0.90 -0.06 -0.58 2.80 0.00 -1.04 -1.33 119.26 119.95 1jj2 h ALA 49 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1jj2 h ALA 49 Cb 0.16 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1jj2 h ALA 49 CO -0.09 -0.55 0.25 0.00 0.00 0.00 0.00 179.25 178.85 1jj2 h ARG 50 N -0.10 0.82 -0.10 0.00 3.08 -1.16 0.23 114.38 117.16 1jj2 h ARG 50 Ca 0.02 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 59.91 1jj2 h ARG 50 Cb 0.12 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1jj2 h ARG 50 CO -0.05 0.66 -0.15 1.03 -1.07 0.00 0.00 179.97 180.40 1jj2 h SER 51 N 0.82 0.14 0.75 7.04 0.87 -0.76 -2.35 113.55 120.06 1jj2 h SER 51 Ca 0.20 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1jj2 h SER 51 Cb 0.13 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1jj2 h SER 51 CO -0.02 0.31 -0.44 0.18 -0.53 0.00 0.00 176.83 176.32 1jj2 n LEU 52 N -4.29 0.50 0.00 2.23 4.77 -0.50 -4.93 117.00 114.79 1jj2 n LEU 52 Ca -0.01 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1jj2 n LEU 52 Cb 0.26 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1jj2 n LEU 52 CO 0.37 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1jj2 n GLY 53 N 1.44 0.77 3.74 -0.72 0.00 -0.59 -4.82 105.19 105.01 1jj2 n GLY 53 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 1jj2 n GLY 53 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1jj2 n TYR 54 N 0.00 2.55 -3.82 1.61 9.36 0.69 -4.94 117.16 122.61 1jj2 n TYR 54 Ca 0.00 0.46 -0.13 0.00 3.32 0.00 0.00 57.90 61.55 1jj2 n TYR 54 Cb 0.00 -2.44 -0.13 0.00 -0.63 0.00 0.00 39.34 36.13 1jj2 n TYR 54 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1jj2 s LYS 55 N -2.35 0.10 -1.20 2.98 1.02 -1.26 -4.33 119.74 114.70 1jj2 s LYS 55 Ca 0.60 0.18 -0.21 0.00 0.02 0.00 0.00 55.97 56.57 1jj2 s LYS 55 Cb -0.47 -0.00 0.01 0.00 -0.52 0.00 0.00 37.83 36.84 1jj2 s LYS 55 CO 0.58 -0.05 1.79 0.00 -0.92 0.00 0.00 175.35 176.75 1jj2 s ALA 56 N 0.31 2.63 0.12 5.17 0.00 -1.26 -4.81 121.76 123.91 1jj2 s ALA 56 Ca -0.02 -2.49 -0.10 0.00 0.00 0.00 0.00 51.96 49.35 1jj2 s ALA 56 Cb -0.03 -4.64 0.00 0.00 0.00 0.00 0.00 23.12 18.45 1jj2 s ALA 56 CO -0.01 -4.09 0.26 0.21 0.00 0.00 0.00 175.76 172.13 1jj2 s LYS 57 N 5.26 1.00 0.29 0.00 2.20 -1.26 -5.13 119.74 122.10 1jj2 s LYS 57 Ca 0.59 -0.99 -0.29 0.00 -0.36 0.00 0.00 55.97 54.92 1jj2 s LYS 57 Cb 0.01 0.38 -0.10 0.00 -1.51 0.00 0.00 37.83 36.61 1jj2 s LYS 57 CO 0.07 -0.35 1.31 -0.65 -0.36 0.00 0.00 175.35 175.37 1jj2 s GLN 58 N -3.89 4.37 0.00 4.03 -0.21 -1.26 -2.78 119.66 119.92 1jj2 s GLN 58 Ca 0.09 2.17 0.00 0.00 0.02 0.00 0.00 55.36 57.64 1jj2 s GLN 58 Cb 0.04 -3.11 0.00 0.00 1.00 0.00 0.00 33.01 30.94 1jj2 s GLN 58 CO -0.07 -0.21 0.00 0.41 -2.12 0.00 0.00 175.29 173.30 1jj2 n GLY 59 N 1.32 0.75 3.48 3.09 0.00 -1.26 -4.60 105.19 107.97 1jj2 n GLY 59 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1jj2 n GLY 59 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jj2 s ILE 60 N -2.79 4.13 0.06 -0.61 1.01 -1.12 -0.17 121.20 121.72 1jj2 s ILE 60 Ca 0.00 -0.25 0.08 0.00 0.00 0.00 0.00 60.65 60.47 1jj2 s ILE 60 Cb 0.00 -2.87 -0.03 0.00 0.01 0.00 0.00 42.46 39.57 1jj2 s ILE 60 CO 0.00 0.42 -0.21 -0.63 0.00 0.00 0.00 174.94 174.53 1jj2 s ILE 61 N 0.97 1.67 0.01 2.92 1.09 -0.11 -4.87 121.20 122.88 1jj2 s ILE 61 Ca 0.02 -1.30 0.05 0.00 -1.10 0.00 0.00 60.65 58.33 1jj2 s ILE 61 Cb -0.14 -1.47 -0.02 0.00 -1.06 0.00 0.00 42.46 39.77 1jj2 s ILE 61 CO 0.02 0.12 -0.16 -0.69 -0.10 0.00 0.00 174.94 174.13 1jj2 s VAL 62 N -0.91 1.27 -0.13 2.92 1.01 -1.26 0.14 120.40 123.43 1jj2 s VAL 62 Ca 0.07 -0.86 -0.12 0.00 0.00 0.00 0.00 61.98 61.07 1jj2 s VAL 62 Cb -0.09 -1.09 0.04 0.00 0.00 0.00 0.00 36.38 35.23 1jj2 s VAL 62 CO 0.02 0.22 0.35 -0.69 0.00 0.00 0.00 175.10 175.00 1jj2 s VAL 63 N -0.59 -0.00 -0.21 2.92 1.01 -0.34 -1.80 120.40 121.39 1jj2 s VAL 63 Ca 0.05 0.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.93 1jj2 s VAL 63 Cb -0.07 -0.50 -0.05 0.00 0.00 0.00 0.00 36.38 35.77 1jj2 s VAL 63 CO 0.00 0.00 0.18 -0.60 0.00 0.00 0.00 175.10 174.69 1jj2 s ARG 64 N 0.31 4.15 -0.06 2.72 3.52 -0.43 0.43 118.95 129.58 1jj2 s ARG 64 Ca -0.01 -0.17 0.04 0.00 -0.13 0.00 0.00 55.73 55.46 1jj2 s ARG 64 Cb -0.03 -3.48 -0.02 0.00 -1.56 0.00 0.00 34.95 29.86 1jj2 s ARG 64 CO -0.01 0.17 -0.19 0.08 -0.81 0.00 0.00 175.30 174.54 1jj2 s VAL 65 N 0.74 2.64 -0.14 7.11 1.01 0.44 -1.50 120.40 130.70 1jj2 s VAL 65 Ca 0.10 -0.86 -0.07 0.00 0.00 0.00 0.00 61.98 61.15 1jj2 s VAL 65 Cb -0.13 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 1jj2 s VAL 65 CO 0.02 0.57 0.11 0.00 0.00 0.00 0.00 175.10 175.81 1jj2 s ALA 66 N -0.35 3.72 -0.01 5.51 0.00 -0.52 -2.09 121.76 128.02 1jj2 s ALA 66 Ca 0.03 -0.68 -0.01 0.00 0.00 0.00 0.00 51.96 51.30 1jj2 s ALA 66 Cb -0.12 -1.95 0.01 0.00 0.00 0.00 0.00 23.12 21.06 1jj2 s ALA 66 CO 0.02 0.47 0.03 0.42 0.00 0.00 0.00 175.76 176.71 1jj2 s ILE 67 N -0.57 -0.02 0.55 0.00 -1.09 -0.48 -4.91 121.20 114.68 1jj2 s ILE 67 Ca 0.12 0.06 -0.21 0.00 -2.23 0.00 0.00 60.65 58.39 1jj2 s ILE 67 Cb -0.12 -0.06 -0.05 0.00 -1.58 0.00 0.00 42.46 40.66 1jj2 s ILE 67 CO 0.02 0.03 1.32 0.00 -1.23 0.00 0.00 174.94 175.08 1jj2 s ARG 68 N 0.34 3.12 0.62 2.79 3.03 -1.26 -0.82 118.95 126.76 1jj2 s ARG 68 Ca -0.03 2.14 -0.06 0.00 2.03 0.00 0.00 55.73 59.81 1jj2 s ARG 68 Cb -0.04 -2.20 0.02 0.00 -1.03 0.00 0.00 34.95 31.70 1jj2 s ARG 68 CO -0.01 -1.17 0.94 0.15 -1.13 0.00 0.00 175.30 174.07 1jj2 s LYS 69 N -2.97 2.77 0.00 3.89 1.02 0.47 -4.79 119.74 120.13 1jj2 s LYS 69 Ca 0.73 -0.03 0.00 0.00 0.02 0.00 0.00 55.97 56.69 1jj2 s LYS 69 Cb -0.38 -2.24 0.00 0.00 -0.52 0.00 0.00 37.83 34.69 1jj2 s LYS 69 CO 0.44 -0.83 0.00 0.41 -0.92 0.00 0.00 175.35 174.45 1jj2 n GLY 70 N -2.68 -2.80 1.78 -3.33 0.00 -1.26 -5.01 105.19 91.89 1jj2 n GLY 70 Ca 0.05 -2.13 -0.14 0.00 0.00 0.00 0.00 46.02 43.81 1jj2 n GLY 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jj2 n SER 71 N 0.00 -0.64 -4.74 1.61 3.41 -1.26 -4.94 113.62 107.05 1jj2 n SER 71 Ca 0.00 -1.05 -0.42 0.00 -0.26 0.00 0.00 58.87 57.15 1jj2 n SER 71 Cb 0.00 -0.49 -0.02 0.00 -0.26 0.00 0.00 64.21 63.45 1jj2 n SER 71 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1jj2 s SER 72 N -3.15 6.44 -1.04 4.04 0.15 -0.91 -4.89 113.70 114.34 1jj2 s SER 72 Ca 0.35 2.87 -0.18 0.00 0.70 0.00 0.00 55.95 59.69 1jj2 s SER 72 Cb -0.02 -2.63 0.12 0.00 -1.71 0.00 0.00 66.02 61.78 1jj2 s SER 72 CO 0.26 -0.88 1.31 -0.13 1.20 0.00 0.00 173.24 175.00 1jj2 s ARG 73 N -0.21 3.74 -0.09 5.44 3.00 -1.26 -4.94 118.95 124.62 1jj2 s ARG 73 Ca 0.64 -1.84 -0.00 0.00 0.00 0.00 0.00 55.73 54.53 1jj2 s ARG 73 Cb -0.47 -5.09 -0.03 0.00 0.00 0.00 0.00 34.95 29.37 1jj2 s ARG 73 CO 0.44 -1.90 -0.06 0.50 0.00 0.00 0.00 175.30 174.29 1jj2 s ARG 74 N 3.01 2.97 0.20 3.54 3.52 -1.26 -5.11 118.95 125.82 1jj2 s ARG 74 Ca 0.39 -0.53 -0.28 0.00 -0.13 0.00 0.00 55.73 55.19 1jj2 s ARG 74 Cb -0.03 -2.68 -0.08 0.00 -1.56 0.00 0.00 34.95 30.60 1jj2 s ARG 74 CO -0.06 0.58 0.86 0.99 -0.81 0.00 0.00 175.30 176.86 1jj2 s THR 75 N -0.56 4.22 0.46 4.11 2.01 -1.26 -4.97 115.64 119.66 1jj2 s THR 75 Ca 0.09 1.90 -0.21 0.00 0.31 0.00 0.00 61.69 63.78 1jj2 s THR 75 Cb -0.12 -4.24 -0.09 0.00 0.01 0.00 0.00 72.50 68.07 1jj2 s THR 75 CO 0.02 0.51 1.03 -0.60 -0.69 0.00 0.00 174.62 174.89 1jj2 s ARG 76 N -1.14 3.92 0.34 4.92 3.52 -1.26 -4.98 118.95 124.27 1jj2 s ARG 76 Ca 0.38 1.36 -0.27 0.00 -0.13 0.00 0.00 55.73 57.07 1jj2 s ARG 76 Cb -0.25 -2.19 -0.12 0.00 -1.56 0.00 0.00 34.95 30.83 1jj2 s ARG 76 CO 0.29 -0.33 1.20 1.97 -0.81 0.00 0.00 175.30 177.62 1jj2 n PHE 77 N -0.76 1.93 -0.27 5.12 1.16 -1.26 -4.94 117.46 118.44 1jj2 n PHE 77 Ca 0.08 0.58 0.07 0.00 -1.87 0.00 0.00 57.45 56.31 1jj2 n PHE 77 Cb 0.52 -2.36 0.19 0.00 -1.61 0.00 0.00 39.48 36.22 1jj2 n PHE 77 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 1jj2 n ASN 78 N 0.79 3.19 -2.18 5.98 4.13 -1.26 -5.01 115.26 120.90 1jj2 n ASN 78 Ca 0.06 -2.08 -0.08 0.00 1.68 0.00 0.00 54.58 54.16 1jj2 n ASN 78 Cb 0.36 -0.30 -0.01 0.00 -1.54 0.00 0.00 39.78 38.28 1jj2 n ASN 78 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1jj2 n LYS 79 N 0.61 0.45 -1.73 3.52 4.76 -1.26 -5.14 118.16 119.37 1jj2 n LYS 79 Ca 0.14 -1.63 -0.42 0.00 -2.87 0.00 0.00 58.31 53.53 1jj2 n LYS 79 Cb 0.50 1.61 -0.01 0.00 -1.84 0.00 0.00 35.03 35.29 1jj2 n LYS 79 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1jj2 n GLY 80 N -0.34 1.05 3.28 0.72 0.00 -1.26 -5.01 105.19 103.62 1jj2 n GLY 80 Ca -0.00 0.39 -0.13 0.00 0.00 0.00 0.00 46.02 46.28 1jj2 n GLY 80 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jj2 s ARG 81 N -1.23 0.51 0.52 1.61 6.06 -1.26 -5.14 118.95 120.03 1jj2 s ARG 81 Ca 0.60 0.39 -0.17 0.00 -2.50 0.00 0.00 55.73 54.05 1jj2 s ARG 81 Cb -0.53 0.24 -0.07 0.00 0.06 0.00 0.00 34.95 34.65 1jj2 s ARG 81 CO 0.56 -0.09 1.01 -0.98 -2.50 0.00 0.00 175.30 173.30 1jj2 s ARG 82 N -0.13 3.80 0.32 5.12 1.70 -1.26 -4.85 118.95 123.66 1jj2 s ARG 82 Ca -0.03 1.09 0.07 0.00 -0.47 0.00 0.00 55.73 56.39 1jj2 s ARG 82 Cb -0.03 -2.11 0.91 0.00 -0.57 0.00 0.00 34.95 33.15 1jj2 s ARG 82 CO 0.02 -0.40 1.55 -1.13 -1.08 0.00 0.00 175.30 174.26 1jj2 n SER 83 N -1.50 0.01 -0.02 -2.89 3.41 -1.26 -0.15 113.62 111.21 1jj2 n SER 83 Ca 0.07 1.67 0.19 0.00 -0.26 0.00 0.00 58.87 60.55 1jj2 n SER 83 Cb 0.54 -0.66 0.66 0.00 -0.26 0.00 0.00 64.21 64.48 1jj2 n SER 83 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1jj2 h LYS 84 N 0.00 0.07 -0.54 4.33 3.11 -2.04 -1.79 116.57 119.71 1jj2 h LYS 84 Ca 0.66 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.50 1jj2 h LYS 84 Cb 1.50 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 32.72 1jj2 h LYS 84 CO -0.89 0.04 0.00 0.54 -2.81 0.00 0.00 179.45 176.34 1jj2 n ARG 85 N -4.40 3.12 0.00 1.90 5.12 0.79 -4.46 116.66 118.74 1jj2 n ARG 85 Ca 0.10 -2.57 0.13 0.00 -1.93 0.00 0.00 57.85 53.59 1jj2 n ARG 85 Cb 0.58 -1.61 0.47 0.00 -1.16 0.00 0.00 32.46 30.74 1jj2 n ARG 85 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 1jj2 n MET 86 N 0.90 0.72 -1.52 5.56 2.81 -0.67 -4.88 117.12 120.03 1jj2 n MET 86 Ca 0.21 -0.35 -0.39 0.00 -1.81 0.00 0.00 57.70 55.36 1jj2 n MET 86 Cb 0.68 -1.49 0.03 0.00 -0.71 0.00 0.00 33.22 31.73 1jj2 n MET 86 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1jj2 n MET 87 N -0.84 0.72 0.16 0.03 -0.00 -1.26 -4.79 117.12 111.14 1jj2 n MET 87 Ca 0.13 0.28 0.00 0.00 -0.00 0.00 0.00 57.70 58.10 1jj2 n MET 87 Cb 0.32 -1.84 0.00 0.00 -0.00 0.00 0.00 33.22 31.70 1jj2 n MET 87 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1jj2 n VAL 88 N -1.44 0.00 -0.22 3.17 0.31 -1.26 -4.85 118.33 114.03 1jj2 n VAL 88 Ca 0.12 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.39 1jj2 n VAL 88 Cb 0.45 -0.32 0.05 0.00 -0.91 0.00 0.00 33.84 33.12 1jj2 n VAL 88 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1jj2 h ASN 89 N 0.00 0.71 0.22 4.52 2.35 -1.93 -3.19 115.58 118.27 1jj2 h ASN 89 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1jj2 h ASN 89 Cb 0.00 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.20 1jj2 h ASN 89 CO 0.00 0.51 -0.23 0.54 -1.65 0.00 0.00 177.43 176.60 1jj2 n ARG 90 N -4.66 0.91 -2.27 0.81 1.74 -1.26 -4.85 116.66 107.08 1jj2 n ARG 90 Ca 0.05 -0.53 -0.41 0.00 -0.77 0.00 0.00 57.85 56.19 1jj2 n ARG 90 Cb 0.03 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 29.95 1jj2 n ARG 90 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1jj2 s ILE 91 N -2.46 3.33 0.06 0.55 1.01 -1.20 -4.97 121.20 117.52 1jj2 s ILE 91 Ca 0.26 1.11 0.06 0.00 0.00 0.00 0.00 60.65 62.08 1jj2 s ILE 91 Cb 0.19 -3.71 -0.03 0.00 0.01 0.00 0.00 42.46 38.93 1jj2 s ILE 91 CO 0.50 0.17 -0.18 0.42 0.00 0.00 0.00 174.94 175.86 1jj2 s THR 92 N 0.02 1.42 0.63 2.92 -4.23 -1.26 -2.13 115.64 113.01 1jj2 s THR 92 Ca 0.55 -1.26 -0.16 0.00 -1.18 0.00 0.00 61.69 59.64 1jj2 s THR 92 Cb -0.35 -1.28 -0.01 0.00 1.34 0.00 0.00 72.50 72.19 1jj2 s THR 92 CO 0.38 -0.01 1.13 -0.13 -0.54 0.00 0.00 174.62 175.45 1jj2 s ARG 93 N -1.48 2.90 0.00 3.99 1.81 -1.26 -4.84 118.95 120.07 1jj2 s ARG 93 Ca 0.04 1.51 0.28 0.00 -1.72 0.00 0.00 55.73 55.84 1jj2 s ARG 93 Cb -0.09 -1.95 1.12 0.00 -0.45 0.00 0.00 34.95 33.57 1jj2 s ARG 93 CO 0.02 -1.19 1.80 1.63 -0.68 0.00 0.00 175.30 176.88 1jj2 n LYS 94 N -2.10 0.55 -4.08 3.54 5.02 -1.26 -4.74 118.16 115.08 1jj2 n LYS 94 Ca 0.11 -0.20 -0.35 0.00 -2.02 0.00 0.00 58.31 55.85 1jj2 n LYS 94 Cb 0.51 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.91 1jj2 n LYS 94 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1jj2 s LYS 95 N -2.59 3.73 0.68 1.97 2.20 -1.26 -5.00 119.74 119.47 1jj2 s LYS 95 Ca 0.25 -0.47 -0.13 0.00 -0.36 0.00 0.00 55.97 55.27 1jj2 s LYS 95 Cb 0.20 -3.12 0.01 0.00 -1.51 0.00 0.00 37.83 33.40 1jj2 s LYS 95 CO 0.51 0.10 1.08 0.54 -0.36 0.00 0.00 175.35 177.22 1jj2 s ASN 96 N 0.78 5.23 0.32 1.43 4.22 -1.26 -4.86 114.94 120.80 1jj2 s ASN 96 Ca 0.01 1.80 0.06 0.00 -2.14 0.00 0.00 52.86 52.59 1jj2 s ASN 96 Cb -0.14 -2.52 0.72 0.00 1.28 0.00 0.00 41.25 40.58 1jj2 s ASN 96 CO 0.02 -1.54 1.82 0.40 -2.04 0.00 0.00 177.10 175.76 1jj2 h ILE 97 N -0.33 0.81 -1.00 0.54 2.04 -1.97 0.16 117.51 117.75 1jj2 h ILE 97 Ca -0.45 -0.28 0.03 0.00 1.00 0.00 0.00 64.86 65.16 1jj2 h ILE 97 Cb 1.23 -0.07 -0.06 0.00 -0.74 0.00 0.00 36.82 37.18 1jj2 h ILE 97 CO 0.55 0.15 0.66 -0.61 0.00 0.00 0.00 178.15 178.90 1jj2 h GLN 98 N 0.81 1.26 -0.32 2.37 4.15 -1.99 0.12 115.11 121.51 1jj2 h GLN 98 Ca 0.51 -0.08 -0.11 0.00 0.77 0.00 0.00 58.65 59.74 1jj2 h GLN 98 Cb 0.74 -0.29 -0.01 0.00 0.21 0.00 0.00 27.48 28.13 1jj2 h GLN 98 CO -0.29 0.84 -0.27 -0.09 -1.93 0.00 0.00 178.83 177.09 1jj2 h ARG 99 N 1.30 0.66 -0.63 1.69 2.43 -1.35 -1.30 114.38 117.19 1jj2 h ARG 99 Ca 0.39 -0.28 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 1jj2 h ARG 99 Cb -0.06 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 1jj2 h ARG 99 CO -0.11 0.86 0.29 0.82 -1.51 0.00 0.00 179.97 180.32 1jj2 h ILE 100 N 0.57 1.22 -0.59 1.20 2.04 -0.71 -2.08 117.51 119.17 1jj2 h ILE 100 Ca 0.07 -0.65 0.03 0.00 1.00 0.00 0.00 64.86 65.32 1jj2 h ILE 100 Cb 0.76 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 1jj2 h ILE 100 CO 0.06 0.26 0.36 0.00 0.00 0.00 0.00 178.15 178.83 1jj2 h ALA 101 N 1.12 0.77 -0.79 1.87 0.00 -0.58 -1.11 119.26 120.54 1jj2 h ALA 101 Ca 0.21 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1jj2 h ALA 101 Cb 0.14 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1jj2 h ALA 101 CO -0.02 0.09 0.35 0.93 0.00 0.00 0.00 179.25 180.59 1jj2 h GLU 102 N 0.71 1.15 -0.27 0.00 5.08 -0.81 -1.85 114.58 118.59 1jj2 h GLU 102 Ca 0.24 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 1jj2 h GLU 102 Cb 0.03 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1jj2 h GLU 102 CO -0.11 0.91 -0.12 0.93 -1.00 0.00 0.00 179.01 179.62 1jj2 h GLU 103 N 1.13 0.56 -0.93 2.33 5.08 -0.88 -1.59 114.58 120.27 1jj2 h GLU 103 Ca 0.27 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1jj2 h GLU 103 Cb 0.16 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 1jj2 h GLU 103 CO -0.03 0.80 0.58 0.00 -1.00 0.00 0.00 179.01 179.36 1jj2 h ARG 104 N 0.30 1.26 -0.06 2.33 3.08 -1.03 -0.17 114.38 120.08 1jj2 h ARG 104 Ca 0.06 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1jj2 h ARG 104 Cb 0.62 -0.27 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 1jj2 h ARG 104 CO 0.04 0.87 0.02 0.00 -1.07 0.00 0.00 179.97 179.82 1jj2 h ALA 105 N 1.32 0.08 -0.94 0.04 0.00 -1.26 -2.67 119.26 115.82 1jj2 h ALA 105 Ca 0.34 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.18 1jj2 h ALA 105 Cb -0.08 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 1jj2 h ALA 105 CO -0.07 -0.30 0.61 -0.97 0.00 0.00 0.00 179.25 178.53 1jj2 h ASN 106 N -0.12 0.97 0.19 0.00 -0.73 -0.82 -0.81 115.58 114.26 1jj2 h ASN 106 Ca 0.02 0.00 -0.08 0.00 1.87 0.00 0.00 56.30 58.11 1jj2 h ASN 106 Cb 0.23 -0.20 -0.01 0.00 0.27 0.00 0.00 38.32 38.61 1jj2 h ASN 106 CO 0.00 0.63 -0.32 0.03 -0.37 0.00 0.00 177.43 177.40 1jj2 h ARG 107 N 1.10 0.21 -0.07 6.67 3.08 -0.92 -2.20 114.38 122.26 1jj2 h ARG 107 Ca 0.40 -0.08 -0.07 0.00 0.07 0.00 0.00 59.98 60.30 1jj2 h ARG 107 Cb 0.15 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1jj2 h ARG 107 CO -0.15 0.51 -0.28 0.87 -1.07 0.00 0.00 179.97 179.85 1jj2 h LYS 108 N 0.18 0.12 -2.44 0.04 1.79 -0.81 -3.24 116.57 112.21 1jj2 h LYS 108 Ca 0.02 -0.04 -0.64 0.00 -2.18 0.00 0.00 60.65 57.82 1jj2 h LYS 108 Cb 0.65 -0.01 -0.40 0.00 -1.58 0.00 0.00 32.23 30.90 1jj2 h LYS 108 CO 0.05 0.39 -0.36 1.19 -1.08 0.00 0.00 179.45 179.64 1jj2 n PHE 109 N -4.17 3.45 -0.42 -1.35 3.01 -0.83 -4.95 117.46 112.20 1jj2 n PHE 109 Ca -0.02 -3.95 0.35 0.00 1.01 0.00 0.00 57.45 54.85 1jj2 n PHE 109 Cb 0.36 -0.70 0.66 0.00 -0.01 0.00 0.00 39.48 39.79 1jj2 n PHE 109 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1jj2 h PRO 110 N 4.57 0.13 0.00 -1.08 0.13 -1.57 -0.15 132.00 134.03 1jj2 h PRO 110 Ca 0.19 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1jj2 h PRO 110 Cb 0.67 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.77 1jj2 h PRO 110 CO 0.90 0.09 -0.34 -2.95 -0.23 0.00 0.00 178.00 175.46 1jj2 h ASN 111 N 0.14 0.00 -2.93 1.44 -1.07 -1.92 -3.47 115.58 107.77 1jj2 h ASN 111 Ca 0.72 -0.06 -0.47 0.00 0.07 0.00 0.00 56.30 56.57 1jj2 h ASN 111 Cb 2.39 0.00 0.03 0.00 -2.07 0.00 0.00 38.32 38.67 1jj2 h ASN 111 CO -0.24 0.03 -0.07 -0.76 0.07 0.00 0.00 177.43 176.46 1jj2 s LEU 112 N -5.03 3.68 0.02 6.14 1.43 -0.07 -4.53 118.68 120.31 1jj2 s LEU 112 Ca 0.07 0.42 0.07 0.00 -1.03 0.00 0.00 54.13 53.66 1jj2 s LEU 112 Cb 0.10 -3.30 -0.02 0.00 0.03 0.00 0.00 46.19 43.00 1jj2 s LEU 112 CO 0.68 -0.64 -0.21 -0.13 0.23 0.00 0.00 176.35 176.28 1jj2 s ARG 113 N -4.57 1.54 0.08 1.70 0.52 -0.58 -4.90 118.95 112.73 1jj2 s ARG 113 Ca 0.47 -0.87 -0.31 0.00 -0.52 0.00 0.00 55.73 54.51 1jj2 s ARG 113 Cb -0.10 -1.59 -0.06 0.00 0.52 0.00 0.00 34.95 33.72 1jj2 s ARG 113 CO 0.39 0.42 1.20 0.08 0.02 0.00 0.00 175.30 177.41 1jj2 s VAL 114 N -0.67 3.97 -0.24 3.52 1.01 -1.26 -0.47 120.40 126.26 1jj2 s VAL 114 Ca 0.08 1.44 -0.01 0.00 0.00 0.00 0.00 61.98 63.49 1jj2 s VAL 114 Cb -0.09 -3.92 -0.18 0.00 0.00 0.00 0.00 36.38 32.19 1jj2 s VAL 114 CO 0.01 0.13 -0.15 -0.11 0.00 0.00 0.00 175.10 174.98 1jj2 n LEU 115 N 3.77 2.80 0.00 3.92 -0.00 0.75 -4.81 117.00 123.43 1jj2 n LEU 115 Ca 0.08 -0.03 0.00 0.00 -0.00 0.00 0.00 56.01 56.07 1jj2 n LEU 115 Cb 0.46 -0.93 0.00 0.00 -0.00 0.00 0.00 43.42 42.95 1jj2 n LEU 115 CO 0.56 0.88 0.00 -3.20 -0.00 0.00 0.00 177.39 175.62 1jj2 n ASN 116 N -3.42 0.00 -3.69 1.96 2.85 -1.17 -4.69 115.26 107.10 1jj2 n ASN 116 Ca -0.45 0.00 -0.09 0.00 -0.11 0.00 0.00 54.58 53.93 1jj2 n ASN 116 Cb 0.98 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.98 1jj2 n ASN 116 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1jj2 s SER 117 N 0.00 -0.36 0.12 1.20 1.04 -1.26 -0.73 113.70 113.71 1jj2 s SER 117 Ca 0.00 -0.38 -0.15 0.00 0.48 0.00 0.00 55.95 55.90 1jj2 s SER 117 Cb 0.00 0.65 0.03 0.00 0.10 0.00 0.00 66.02 66.80 1jj2 s SER 117 CO 0.00 -1.16 0.36 -0.72 0.98 0.00 0.00 173.24 172.70 1jj2 s TYR 118 N -3.86 -0.13 0.34 5.02 -0.85 -0.66 -4.97 117.35 112.25 1jj2 s TYR 118 Ca 0.07 -0.21 -0.25 0.00 -0.52 0.00 0.00 57.07 56.17 1jj2 s TYR 118 Cb -0.03 0.20 -0.10 0.00 0.38 0.00 0.00 41.96 42.41 1jj2 s TYR 118 CO -0.02 -0.68 0.93 0.45 -1.52 0.00 0.00 175.55 174.72 1jj2 s SER 119 N -2.82 7.25 -0.17 -0.18 0.15 -1.26 -0.70 113.70 115.96 1jj2 s SER 119 Ca 0.04 1.78 0.17 0.00 0.70 0.00 0.00 55.95 58.63 1jj2 s SER 119 Cb 0.02 -2.56 0.45 0.00 -1.71 0.00 0.00 66.02 62.22 1jj2 s SER 119 CO -0.11 -0.12 1.18 1.33 1.20 0.00 0.00 173.24 176.72 1jj2 n VAL 120 N 0.33 1.47 -0.46 4.45 0.24 -0.28 -4.86 118.33 119.22 1jj2 n VAL 120 Ca 0.03 -2.73 0.00 0.00 -2.04 0.00 0.00 64.34 59.60 1jj2 n VAL 120 Cb 0.51 0.20 0.00 0.00 -1.47 0.00 0.00 33.84 33.08 1jj2 n VAL 120 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jj2 n GLY 121 N -0.48 -2.68 3.57 7.63 0.00 -1.25 -4.80 105.19 107.18 1jj2 n GLY 121 Ca 0.18 -1.96 -0.07 0.00 0.00 0.00 0.00 46.02 44.16 1jj2 n GLY 121 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1jj2 s GLU 122 N -0.41 1.00 0.00 1.61 -1.05 -1.26 -1.20 118.70 117.38 1jj2 s GLU 122 Ca 0.00 -0.43 0.00 0.00 -0.15 0.00 0.00 54.97 54.39 1jj2 s GLU 122 Cb 0.00 0.42 0.00 0.00 -0.44 0.00 0.00 34.13 34.11 1jj2 s GLU 122 CO 0.00 -0.44 0.00 -0.40 0.95 0.00 0.00 175.26 175.37 1jj2 n ASP 123 N -0.32 0.29 0.19 0.83 5.68 -1.03 -5.00 116.55 117.17 1jj2 n ASP 123 Ca -0.09 0.00 0.03 0.00 -0.50 0.00 0.00 54.79 54.23 1jj2 n ASP 123 Cb 0.62 0.00 0.36 0.00 -1.14 0.00 0.00 41.12 40.96 1jj2 n ASP 123 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1jj2 h GLY 124 N 0.00 0.00 0.00 6.12 0.00 -2.04 -3.37 103.07 103.78 1jj2 h GLY 124 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1jj2 h GLY 124 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 176.54 175.58 1jj2 n ARG 125 N -4.02 2.42 -4.17 4.80 1.85 -1.26 -4.91 116.66 111.37 1jj2 n ARG 125 Ca -0.02 -0.07 -0.24 0.00 -1.00 0.00 0.00 57.85 56.52 1jj2 n ARG 125 Cb 0.42 -0.40 -0.07 0.00 -1.05 0.00 0.00 32.46 31.36 1jj2 n ARG 125 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1jj2 s HIS 126 N -0.37 2.66 -0.01 2.89 3.76 -1.26 -0.40 115.29 122.57 1jj2 s HIS 126 Ca 0.00 -0.40 0.00 0.00 -0.15 0.00 0.00 55.06 54.51 1jj2 s HIS 126 Cb 0.00 -1.61 0.01 0.00 1.11 0.00 0.00 32.58 32.09 1jj2 s HIS 126 CO 0.00 0.37 0.01 0.15 -0.85 0.00 0.00 174.74 174.43 1jj2 s LYS 127 N -3.81 -0.01 -0.06 1.40 1.02 0.00 -2.48 119.74 115.79 1jj2 s LYS 127 Ca 0.37 0.07 0.05 0.00 0.02 0.00 0.00 55.97 56.48 1jj2 s LYS 127 Cb -0.02 -0.10 -0.01 0.00 -0.52 0.00 0.00 37.83 37.19 1jj2 s LYS 127 CO 0.22 -0.06 -0.22 -1.58 -0.92 0.00 0.00 175.35 172.79 1jj2 s TRP 128 N 0.40 2.53 0.02 3.18 0.51 -0.35 -1.38 118.94 123.86 1jj2 s TRP 128 Ca -0.03 -0.61 0.03 0.00 -2.12 0.00 0.00 56.10 53.36 1jj2 s TRP 128 Cb -0.05 -1.63 -0.02 0.00 -0.81 0.00 0.00 33.47 30.96 1jj2 s TRP 128 CO -0.01 -0.14 -0.09 -1.01 -0.51 0.00 0.00 176.95 175.19 1jj2 s HIS 129 N -0.20 0.76 -0.17 -1.98 3.76 -0.89 -1.13 115.29 115.44 1jj2 s HIS 129 Ca -0.02 -0.30 -0.05 0.00 -0.15 0.00 0.00 55.06 54.54 1jj2 s HIS 129 Cb -0.13 -0.47 -0.03 0.00 1.11 0.00 0.00 32.58 33.06 1jj2 s HIS 129 CO 0.03 -0.02 0.01 -1.21 -0.85 0.00 0.00 174.74 172.70 1jj2 s GLU 130 N -0.86 3.78 -0.11 1.40 2.02 0.12 -0.42 118.70 124.63 1jj2 s GLU 130 Ca -0.02 -0.45 -0.02 0.00 0.02 0.00 0.00 54.97 54.50 1jj2 s GLU 130 Cb -0.06 -3.07 -0.03 0.00 0.10 0.00 0.00 34.13 31.07 1jj2 s GLU 130 CO 0.00 0.21 -0.01 0.08 0.02 0.00 0.00 175.26 175.56 1jj2 s VAL 131 N 0.50 4.20 -0.29 2.63 1.01 0.17 -1.65 120.40 126.97 1jj2 s VAL 131 Ca -0.00 -0.28 -0.10 0.00 0.00 0.00 0.00 61.98 61.59 1jj2 s VAL 131 Cb -0.14 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 1jj2 s VAL 131 CO 0.02 0.57 0.17 -0.63 0.00 0.00 0.00 175.10 175.23 1jj2 s ILE 132 N -0.51 5.03 0.25 2.22 1.01 0.09 -1.20 121.20 128.09 1jj2 s ILE 132 Ca 0.09 -0.04 0.10 0.00 0.00 0.00 0.00 60.65 60.79 1jj2 s ILE 132 Cb -0.12 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 1jj2 s ILE 132 CO 0.02 0.19 -0.05 -0.76 0.00 0.00 0.00 174.94 174.34 1jj2 s LEU 133 N 1.71 3.05 -0.01 2.97 1.02 0.12 -0.17 118.68 127.37 1jj2 s LEU 133 Ca 0.06 -0.69 0.03 0.00 0.02 0.00 0.00 54.13 53.55 1jj2 s LEU 133 Cb -0.16 -1.61 -0.01 0.00 0.02 0.00 0.00 46.19 44.43 1jj2 s LEU 133 CO 0.09 0.03 -0.11 -0.63 0.02 0.00 0.00 176.35 175.75 1jj2 s ILE 134 N -2.23 0.83 -0.60 -0.59 -1.09 0.38 -0.93 121.20 116.96 1jj2 s ILE 134 Ca 0.30 -0.45 -0.22 0.00 -2.23 0.00 0.00 60.65 58.05 1jj2 s ILE 134 Cb -0.07 -0.70 0.07 0.00 -1.58 0.00 0.00 42.46 40.18 1jj2 s ILE 134 CO 0.18 0.23 0.87 -0.62 -1.23 0.00 0.00 174.94 174.37 1jj2 s ASP 135 N -0.26 6.22 0.00 3.58 -1.08 0.77 -1.53 116.67 124.37 1jj2 s ASP 135 Ca 0.04 -0.88 0.17 0.00 -0.52 0.00 0.00 52.55 51.36 1jj2 s ASP 135 Cb -0.04 -2.39 0.90 0.00 -1.46 0.00 0.00 42.92 39.93 1jj2 s ASP 135 CO -0.00 -1.26 1.51 -0.81 0.52 0.00 0.00 175.17 175.12 1jj2 n PRO 136 N 7.22 0.29 -0.00 4.34 -0.04 -1.26 -2.95 135.00 142.60 1jj2 n PRO 136 Ca -0.04 0.11 0.08 0.00 -0.04 0.00 0.00 63.50 63.61 1jj2 n PRO 136 Cb 0.45 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.31 1jj2 n PRO 136 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1jj2 n ASP 137 N -1.25 0.85 -4.68 3.54 8.00 -1.26 -4.77 116.55 116.97 1jj2 n ASP 137 Ca 0.09 -0.69 -0.42 0.00 0.71 0.00 0.00 54.79 54.48 1jj2 n ASP 137 Cb 0.13 1.18 -0.03 0.00 -0.02 0.00 0.00 41.12 42.38 1jj2 n ASP 137 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1jj2 s HIS 138 N -2.70 3.49 1.14 1.24 2.46 -1.15 -4.95 115.29 114.82 1jj2 s HIS 138 Ca 0.03 1.53 -0.13 0.00 0.47 0.00 0.00 55.06 56.96 1jj2 s HIS 138 Cb 0.12 -3.15 0.27 0.00 -0.13 0.00 0.00 32.58 29.68 1jj2 s HIS 138 CO 0.69 -0.23 1.04 -1.25 -2.47 0.00 0.00 174.74 172.52 1jj2 s PRO 139 N 2.05 -0.69 0.00 2.88 0.04 -1.26 -1.91 135.00 136.10 1jj2 s PRO 139 Ca 0.46 0.66 0.00 0.00 0.04 0.00 0.00 61.00 62.16 1jj2 s PRO 139 Cb -0.18 -1.59 0.00 0.00 0.04 0.00 0.00 34.50 32.77 1jj2 s PRO 139 CO 0.17 -3.52 0.00 0.00 0.04 0.00 0.00 177.00 173.68 1jj2 n ALA 140 N -4.75 0.00 -0.10 8.56 0.00 -1.26 -4.45 120.51 118.51 1jj2 n ALA 140 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.33 1jj2 n ALA 140 Cb 0.56 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.92 1jj2 n ALA 140 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1jj2 n ILE 141 N 0.00 1.09 0.27 0.00 5.41 -0.80 -3.68 119.36 121.65 1jj2 n ILE 141 Ca 0.00 -0.39 0.12 0.00 1.00 0.00 0.00 62.75 63.48 1jj2 n ILE 141 Cb 0.00 -1.31 0.75 0.00 -0.71 0.00 0.00 39.64 38.37 1jj2 n ILE 141 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1jj2 h LYS 142 N -0.17 0.00 -0.37 0.38 1.57 -1.62 -1.67 116.57 114.69 1jj2 h LYS 142 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1jj2 h LYS 142 Cb 1.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.92 1jj2 h LYS 142 CO -0.12 0.09 0.00 0.43 -0.57 0.00 0.00 179.45 179.27 1jj2 n SER 143 N -3.86 3.41 -4.57 0.86 7.64 -1.26 -4.79 113.62 111.05 1jj2 n SER 143 Ca -0.02 -1.98 -0.41 0.00 1.01 0.00 0.00 58.87 57.47 1jj2 n SER 143 Cb 0.18 -0.24 -0.08 0.00 -1.01 0.00 0.00 64.21 63.07 1jj2 n SER 143 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1jj2 s ASP 144 N -1.45 6.35 0.00 6.43 -1.08 -0.63 -4.91 116.67 121.38 1jj2 s ASP 144 Ca 0.37 0.09 0.08 0.00 -0.52 0.00 0.00 52.55 52.57 1jj2 s ASP 144 Cb 0.22 -2.28 0.47 0.00 -1.46 0.00 0.00 42.92 39.87 1jj2 s ASP 144 CO 0.30 -0.47 1.04 0.47 0.52 0.00 0.00 175.17 177.04 1jj2 n ASP 145 N 5.76 0.00 -0.00 -0.34 8.00 -1.26 -0.39 116.55 128.31 1jj2 n ASP 145 Ca -0.04 -0.07 0.05 0.00 0.71 0.00 0.00 54.79 55.45 1jj2 n ASP 145 Cb 0.49 -0.13 -0.08 0.00 -0.02 0.00 0.00 41.12 41.38 1jj2 n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jj2 n GLN 146 N -1.13 0.90 -0.00 -1.24 6.02 -1.26 -4.70 117.38 115.96 1jj2 n GLN 146 Ca 0.05 -0.08 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 1jj2 n GLN 146 Cb 0.05 -1.21 -0.00 0.00 1.02 0.00 0.00 30.24 30.09 1jj2 n GLN 146 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1jj2 n LEU 147 N -1.77 0.00 -0.04 1.08 4.77 -0.97 -4.73 117.00 115.35 1jj2 n LEU 147 Ca -0.01 -0.01 0.24 0.00 -0.03 0.00 0.00 56.01 56.20 1jj2 n LEU 147 Cb 0.26 0.00 0.70 0.00 -2.33 0.00 0.00 43.42 42.05 1jj2 n LEU 147 CO 0.23 0.00 1.22 0.77 -1.33 0.00 0.00 177.39 178.28 1jj2 h SER 148 N 0.00 0.00 -0.61 -1.43 4.64 -0.71 0.39 113.55 115.83 1jj2 h SER 148 Ca 0.00 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.43 1jj2 h SER 148 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 1jj2 h SER 148 CO 0.00 0.00 0.41 4.11 -0.87 0.00 0.00 176.83 180.48 1jj2 h TRP 149 N 0.00 0.41 0.00 4.77 5.08 -1.84 0.90 115.95 125.27 1jj2 h TRP 149 Ca 0.31 0.01 0.00 0.00 1.08 0.00 0.00 58.89 60.29 1jj2 h TRP 149 Cb 1.57 -0.13 0.00 0.00 -3.00 0.00 0.00 29.16 27.60 1jj2 h TRP 149 CO 0.00 0.19 0.00 1.51 -1.28 0.00 0.00 178.44 178.86 1jj2 n ILE 150 N -4.47 0.83 0.52 0.12 3.06 0.13 -2.53 119.36 117.02 1jj2 n ILE 150 Ca 0.10 0.21 0.13 0.00 -2.50 0.00 0.00 62.75 60.69 1jj2 n ILE 150 Cb 0.41 -0.92 0.31 0.00 0.54 0.00 0.00 39.64 39.98 1jj2 n ILE 150 CO 0.00 0.00 0.00 0.28 -2.50 0.00 0.00 176.55 174.33 1jj2 h SER 151 N 0.00 0.00 -3.80 9.51 0.02 -0.97 -3.45 113.55 114.86 1jj2 h SER 151 Ca 0.00 -0.03 -0.55 0.00 -0.84 0.00 0.00 61.79 60.37 1jj2 h SER 151 Cb 0.27 0.00 0.13 0.00 0.14 0.00 0.00 62.40 62.94 1jj2 h SER 151 CO 0.00 0.01 0.59 0.54 -1.14 0.00 0.00 176.83 176.83 1jj2 n ARG 152 N -2.43 2.00 -0.09 3.45 5.12 -1.05 -4.89 116.66 118.77 1jj2 n ARG 152 Ca 0.05 0.71 0.09 0.00 -1.93 0.00 0.00 57.85 56.77 1jj2 n ARG 152 Cb 0.46 -2.51 0.44 0.00 -1.16 0.00 0.00 32.46 29.69 1jj2 n ARG 152 CO 0.00 0.00 0.00 1.15 -1.93 0.00 0.00 177.63 176.85 1jj2 h THR 153 N 2.02 0.98 0.00 0.55 2.02 -1.92 -0.69 112.91 115.87 1jj2 h THR 153 Ca -0.50 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.50 1jj2 h THR 153 Cb 1.29 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1jj2 h THR 153 CO 0.60 0.10 0.07 0.03 0.37 0.00 0.00 175.52 176.68 1jj2 h ARG 154 N 0.54 0.00 -0.71 6.66 3.08 -1.96 -1.60 114.38 120.39 1jj2 h ARG 154 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1jj2 h ARG 154 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1jj2 h ARG 154 CO -0.07 0.00 0.00 0.72 -1.07 0.00 0.00 179.97 179.55 1jj2 n HIS 155 N -2.28 0.94 -1.79 3.04 8.25 -0.26 -4.94 115.22 118.18 1jj2 n HIS 155 Ca -0.01 -0.48 -0.42 0.00 -0.26 0.00 0.00 57.72 56.55 1jj2 n HIS 155 Cb 0.10 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.18 1jj2 n HIS 155 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1jj2 s ARG 156 N -1.04 4.16 -1.18 -0.41 0.52 -0.60 -2.79 118.95 117.60 1jj2 s ARG 156 Ca 0.48 2.51 -0.07 0.00 -0.52 0.00 0.00 55.73 58.13 1jj2 s ARG 156 Cb 0.25 -3.44 0.01 0.00 0.52 0.00 0.00 34.95 32.29 1jj2 s ARG 156 CO 0.33 -0.77 1.03 1.28 0.02 0.00 0.00 175.30 177.19 1jj2 n LEU 157 N 5.13 -3.28 -0.22 2.53 4.77 -1.26 -4.94 117.00 119.74 1jj2 n LEU 157 Ca 0.16 -0.48 -0.04 0.00 -0.03 0.00 0.00 56.01 55.63 1jj2 n LEU 157 Cb 0.38 -2.73 0.02 0.00 -2.33 0.00 0.00 43.42 38.76 1jj2 n LEU 157 CO 0.64 0.56 0.64 0.03 -1.33 0.00 0.00 177.39 177.93 1jj2 h ARG 158 N -2.32 -0.12 -0.89 3.23 3.08 -1.88 -2.30 114.38 113.18 1jj2 h ARG 158 Ca -0.50 0.01 0.11 0.00 0.07 0.00 0.00 59.98 59.67 1jj2 h ARG 158 Cb 1.32 0.03 -0.08 0.00 0.08 0.00 0.00 29.97 31.32 1jj2 h ARG 158 CO 0.49 -0.08 0.52 1.79 -1.07 0.00 0.00 179.97 181.61 1jj2 h THR 159 N -0.13 0.88 0.00 2.04 1.35 -1.91 -1.12 112.91 114.02 1jj2 h THR 159 Ca 0.25 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 1jj2 h THR 159 Cb 0.55 -0.02 0.00 0.00 -1.73 0.00 0.00 68.15 66.95 1jj2 h THR 159 CO -0.70 0.15 0.00 -0.26 -0.25 0.00 0.00 175.52 174.46 1jj2 h PHE 160 N 0.83 0.00 -0.36 4.73 -1.00 -1.80 -2.14 116.94 117.20 1jj2 h PHE 160 Ca 0.44 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.22 1jj2 h PHE 160 Cb 0.45 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.01 1jj2 h PHE 160 CO -0.05 0.00 0.00 0.54 -1.61 0.00 0.00 178.31 177.19 1jj2 n ARG 161 N -2.53 2.94 -1.46 1.51 1.74 -0.47 -4.98 116.66 113.41 1jj2 n ARG 161 Ca 0.00 -2.30 -0.11 0.00 -0.77 0.00 0.00 57.85 54.67 1jj2 n ARG 161 Cb 0.19 -1.45 -0.04 0.00 -1.02 0.00 0.00 32.46 30.14 1jj2 n ARG 161 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jj2 n GLY 162 N 0.36 1.08 0.30 -0.13 0.00 -0.80 -4.89 105.19 101.11 1jj2 n GLY 162 Ca 0.15 -0.49 0.08 0.00 0.00 0.00 0.00 46.02 45.76 1jj2 n GLY 162 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jj2 n LEU 163 N -1.35 0.90 -4.93 0.99 4.77 -0.91 -3.08 117.00 113.39 1jj2 n LEU 163 Ca -0.12 -0.40 -0.27 0.00 -0.03 0.00 0.00 56.01 55.19 1jj2 n LEU 163 Cb 0.41 -0.07 0.10 0.00 -2.33 0.00 0.00 43.42 41.53 1jj2 n LEU 163 CO 0.17 0.20 0.72 -0.89 -1.33 0.00 0.00 177.39 176.26 1jj2 s THR 164 N -1.85 2.12 0.00 -5.08 2.01 -1.26 -4.82 115.64 106.76 1jj2 s THR 164 Ca 0.25 -0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.09 1jj2 s THR 164 Cb 0.13 -2.96 0.00 0.00 0.01 0.00 0.00 72.50 69.67 1jj2 s THR 164 CO 0.20 0.00 0.90 -1.54 -0.69 0.00 0.00 174.62 173.48 1jj2 n SER 165 N -3.21 0.00 0.26 3.53 3.41 -1.26 -0.63 113.62 115.72 1jj2 n SER 165 Ca 0.10 0.90 0.11 0.00 -0.26 0.00 0.00 58.87 59.71 1jj2 n SER 165 Cb 0.60 -0.40 0.71 0.00 -0.26 0.00 0.00 64.21 64.87 1jj2 n SER 165 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jj2 h ALA 166 N -1.59 1.56 0.13 7.33 0.00 -1.95 -2.76 119.26 121.99 1jj2 h ALA 166 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1jj2 h ALA 166 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1jj2 h ALA 166 CO 0.00 0.11 -0.06 0.78 0.00 0.00 0.00 179.25 180.07 1jj2 h GLY 167 N 0.40 -0.18 1.33 0.00 0.00 -1.65 -1.20 103.07 101.77 1jj2 h GLY 167 Ca -0.00 0.07 -0.08 0.00 0.00 0.00 0.00 47.33 47.32 1jj2 h GLY 167 CO 0.01 -0.07 -0.04 3.21 0.00 0.00 0.00 176.54 179.66 1jj2 h ARG 168 N -0.27 0.81 -0.15 4.80 3.08 -0.59 -1.61 114.38 120.45 1jj2 h ARG 168 Ca -0.02 -0.24 -0.06 0.00 0.07 0.00 0.00 59.98 59.74 1jj2 h ARG 168 Cb 0.22 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 1jj2 h ARG 168 CO 0.03 0.84 -0.13 0.00 -1.07 0.00 0.00 179.97 179.64 1jj2 h ARG 169 N 0.75 0.36 0.00 0.04 3.08 -1.50 -2.25 114.38 114.86 1jj2 h ARG 169 Ca 0.14 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1jj2 h ARG 169 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1jj2 h ARG 169 CO 0.03 0.72 0.00 0.00 -1.07 0.00 0.00 179.97 179.65 1jj2 n ARG 171 N -2.94 1.74 -1.03 0.00 1.74 -0.62 -4.93 116.66 110.61 1jj2 n ARG 171 Ca -0.02 -1.08 -0.01 0.00 -0.77 0.00 0.00 57.85 55.96 1jj2 n ARG 171 Cb 0.10 -1.45 -0.00 0.00 -1.02 0.00 0.00 32.46 30.08 1jj2 n ARG 171 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jj2 n GLY 172 N 1.18 0.49 0.32 -0.13 0.00 0.22 -4.84 105.19 102.42 1jj2 n GLY 172 Ca 0.18 -0.79 0.12 0.00 0.00 0.00 0.00 46.02 45.52 1jj2 n GLY 172 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jj2 n LEU 173 N -0.13 0.99 0.19 0.99 4.77 -0.87 -4.37 117.00 118.57 1jj2 n LEU 173 Ca -0.01 -0.38 -0.15 0.00 -0.03 0.00 0.00 56.01 55.44 1jj2 n LEU 173 Cb 0.04 -0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.03 1jj2 n LEU 173 CO 0.02 0.19 0.67 0.03 -1.33 0.00 0.00 177.39 176.97 1jj2 h ARG 174 N 1.40 -0.59 -6.87 3.23 3.08 -1.82 -3.43 114.38 109.37 1jj2 h ARG 174 Ca 0.00 0.04 -0.47 0.00 0.07 0.00 0.00 59.98 59.62 1jj2 h ARG 174 Cb 0.30 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 1jj2 h ARG 174 CO 0.00 -0.40 0.35 0.20 -1.07 0.00 0.00 179.97 179.06 1jj2 s GLY 175 N -2.28 2.84 0.00 0.04 0.00 -1.26 -4.96 107.32 101.69 1jj2 s GLY 175 Ca -0.16 0.56 0.22 0.00 0.00 0.00 0.00 44.72 45.34 1jj2 s GLY 175 CO 0.64 1.02 1.05 -1.06 0.00 0.00 0.00 173.10 174.75 1jj2 n GLN 176 N 0.63 1.02 0.00 2.90 6.02 -1.26 -4.72 117.38 121.97 1jj2 n GLN 176 Ca 0.02 -0.83 0.00 0.00 -0.01 0.00 0.00 57.00 56.18 1jj2 n GLN 176 Cb 0.50 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.28 1jj2 n GLN 176 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jj2 n GLY 177 N 1.43 2.08 3.62 1.08 0.00 -1.26 -4.97 105.19 107.16 1jj2 n GLY 177 Ca 0.08 -0.02 -0.46 0.00 0.00 0.00 0.00 46.02 45.62 1jj2 n GLY 177 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1jj2 n LYS 178 N 0.00 1.54 0.00 1.61 4.81 -1.26 -2.25 118.16 122.60 1jj2 n LYS 178 Ca 0.00 0.54 0.00 0.00 -0.87 0.00 0.00 58.31 57.98 1jj2 n LYS 178 Cb 0.00 -2.05 0.00 0.00 0.02 0.00 0.00 35.03 33.00 1jj2 n LYS 178 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1jj2 n GLY 179 N 1.68 2.79 1.72 3.14 0.00 -1.26 -4.91 105.19 108.34 1jj2 n GLY 179 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 1jj2 n GLY 179 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jj2 n SER 180 N 0.00 3.96 -0.23 1.61 3.41 -0.96 -4.60 113.62 116.81 1jj2 n SER 180 Ca 0.00 -3.40 -0.07 0.00 -0.26 0.00 0.00 58.87 55.13 1jj2 n SER 180 Cb 0.00 -0.72 0.06 0.00 -0.26 0.00 0.00 64.21 63.29 1jj2 n SER 180 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1jj2 h GLU 181 N 1.82 1.09 -0.44 4.33 3.07 -1.90 -2.86 114.58 119.69 1jj2 h GLU 181 Ca 0.30 -0.29 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1jj2 h GLU 181 Cb 2.19 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 29.97 1jj2 h GLU 181 CO 0.68 1.00 0.00 1.63 -1.40 0.00 0.00 179.01 180.91 1jj2 n LYS 182 N -4.21 2.42 -0.09 2.33 4.76 -1.26 -4.57 118.16 117.54 1jj2 n LYS 182 Ca 0.04 -2.17 -0.12 0.00 -2.87 0.00 0.00 58.31 53.20 1jj2 n LYS 182 Cb 0.29 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 31.94 1jj2 n LYS 182 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1jj2 n VAL 183 N 1.34 1.47 -3.17 -0.18 0.31 -1.10 -4.30 118.33 112.70 1jj2 n VAL 183 Ca 0.20 0.07 -0.36 0.00 -0.01 0.00 0.00 64.34 64.24 1jj2 n VAL 183 Cb 0.56 -2.21 -0.06 0.00 -0.91 0.00 0.00 33.84 31.22 1jj2 n VAL 183 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1jj2 s ARG 184 N -2.77 4.20 0.33 5.55 3.52 -1.10 -1.89 118.95 126.79 1jj2 s ARG 184 Ca -0.28 0.79 0.24 0.00 -0.13 0.00 0.00 55.73 56.34 1jj2 s ARG 184 Cb 0.05 -2.94 0.46 0.00 -1.56 0.00 0.00 34.95 30.96 1jj2 s ARG 184 CO 0.40 0.44 1.60 -1.00 -0.81 0.00 0.00 175.30 175.94 1jj2 h PRO 185 N 3.59 0.00 -2.88 5.12 0.13 -1.91 -3.47 132.00 132.59 1jj2 h PRO 185 Ca -0.48 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 1jj2 h PRO 185 Cb 1.20 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.18 1jj2 h PRO 185 CO 0.65 0.00 0.12 -1.54 -0.23 0.00 0.00 178.00 177.00 1jj2 s SER 186 N -5.52 -0.49 0.13 1.44 1.04 -0.79 -5.04 113.70 104.46 1jj2 s SER 186 Ca 0.08 0.09 -0.13 0.00 0.48 0.00 0.00 55.95 56.46 1jj2 s SER 186 Cb 0.08 0.54 -0.05 0.00 0.10 0.00 0.00 66.02 66.70 1jj2 s SER 186 CO 0.66 -0.84 1.48 -0.07 0.98 0.00 0.00 173.24 175.45 1jj2 h LEU 187 N 2.40 0.88 -0.67 2.42 3.38 -1.79 -3.03 115.31 118.89 1jj2 h LEU 187 Ca -0.32 -0.44 -0.09 0.00 0.09 0.00 0.00 57.88 57.12 1jj2 h LEU 187 Cb 1.25 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 1jj2 h LEU 187 CO 0.40 1.13 0.06 -0.09 0.09 0.00 0.00 178.44 180.03 1jj2 h ARG 188 N 0.64 1.09 0.00 1.13 2.43 -1.91 0.68 114.38 118.44 1jj2 h ARG 188 Ca 0.07 -0.31 -0.04 0.00 -0.81 0.00 0.00 59.98 58.89 1jj2 h ARG 188 Cb 0.84 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 1jj2 h ARG 188 CO 0.07 1.02 -0.19 -0.24 -1.51 0.00 0.00 179.97 179.13 1jj2 h VAL 189 N 1.01 0.66 -0.39 0.20 3.04 -1.95 -1.94 116.25 116.88 1jj2 h VAL 189 Ca 0.19 -0.82 0.00 0.00 -1.01 0.00 0.00 66.70 65.06 1jj2 h VAL 189 Cb 0.49 1.52 0.00 0.00 -2.01 0.00 0.00 31.29 31.29 1jj2 h VAL 189 CO 0.02 0.18 0.00 0.59 -1.01 0.00 0.00 177.57 177.36 1jj2 n ASN 190 N -3.63 3.50 0.00 3.17 3.02 -0.96 -4.89 115.26 115.47 1jj2 n ASN 190 Ca -0.01 -2.40 0.00 0.00 -0.03 0.00 0.00 54.58 52.14 1jj2 n ASN 190 Cb 0.32 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.97 1jj2 n ASN 190 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jj2 n GLY 191 N 0.65 0.63 2.06 7.41 0.00 -0.73 -3.93 105.19 111.30 1jj2 n GLY 191 Ca 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.12 1jj2 n GLY 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jj2 n ALA 192 N 1.00 -0.99 -0.39 4.61 0.00 0.19 -4.99 120.51 119.95 1jj2 n ALA 192 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1jj2 n ALA 192 Cb 0.03 -1.75 0.12 0.00 0.00 0.00 0.00 19.45 17.86 1jj2 n ALA 192 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jj2 n LYS 193 N -2.25 2.71 0.00 0.00 5.02 -1.25 -5.06 118.16 117.33 1jj2 n LYS 193 Ca -0.09 -2.10 0.00 0.00 -2.02 0.00 0.00 58.31 54.10 1jj2 n LYS 193 Cb 0.56 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 34.25 1jj2 n LYS 193 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88