#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nji n ARG 2 N 0.00 1.88 -2.78 0.00 1.74 -1.26 -4.96 116.66 111.28 1nji n ARG 2 Ca 0.00 0.66 -0.29 0.00 -0.77 0.00 0.00 57.85 57.45 1nji n ARG 2 Cb 0.00 -2.19 -0.02 0.00 -1.02 0.00 0.00 32.46 29.23 1nji n ARG 2 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1nji s SER 3 N -0.41 6.44 0.22 0.55 1.04 -1.26 -4.95 113.70 115.33 1nji s SER 3 Ca 0.57 1.07 -0.08 0.00 0.48 0.00 0.00 55.95 57.99 1nji s SER 3 Cb -0.60 -2.30 0.31 0.00 0.10 0.00 0.00 66.02 63.53 1nji s SER 3 CO 0.61 -0.46 1.79 0.00 0.98 0.00 0.00 173.24 176.17 1nji h ALA 4 N 0.94 0.96 -0.68 5.32 0.00 -2.03 -2.17 119.26 121.61 1nji h ALA 4 Ca -0.47 0.04 0.15 0.00 0.00 0.00 0.00 54.91 54.62 1nji h ALA 4 Cb 1.19 -0.08 -0.12 0.00 0.00 0.00 0.00 17.79 18.78 1nji h ALA 4 CO 0.63 -0.00 -0.02 1.88 0.00 0.00 0.00 179.25 181.74 1nji h TYR 5 N 0.65 -0.09 -0.63 0.00 0.99 -2.01 0.16 116.97 116.03 1nji h TYR 5 Ca 0.34 0.05 0.18 0.00 2.00 0.00 0.00 58.73 61.30 1nji h TYR 5 Cb 0.30 0.15 -0.03 0.00 1.00 0.00 0.00 36.73 38.15 1nji h TYR 5 CO -0.09 -0.21 0.72 0.66 -0.00 0.00 0.00 178.16 179.23 1nji h SER 6 N 0.09 0.00 0.15 3.88 4.64 -1.77 0.44 113.55 120.98 1nji h SER 6 Ca 0.36 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.43 1nji h SER 6 Cb 0.59 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.70 1nji h SER 6 CO -0.60 0.00 -1.01 1.88 -0.87 0.00 0.00 176.83 176.23 1nji h TYR 7 N 0.00 0.86 -0.52 4.77 -1.99 -0.78 -0.60 116.97 118.72 1nji h TYR 7 Ca 0.30 -0.47 -0.01 0.00 2.00 0.00 0.00 58.73 60.54 1nji h TYR 7 Cb 1.73 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 40.34 1nji h TYR 7 CO 0.00 1.30 0.27 0.82 -0.00 0.00 0.00 178.16 180.56 1nji h ILE 8 N 0.32 1.18 -0.39 -2.88 2.04 -0.18 -1.25 117.51 116.35 1nji h ILE 8 Ca -0.11 -0.48 -0.00 0.00 1.00 0.00 0.00 64.86 65.27 1nji h ILE 8 Cb 1.66 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 38.27 1nji h ILE 8 CO 0.19 0.20 0.24 -0.09 0.00 0.00 0.00 178.15 178.68 1nji h ARG 9 N 0.69 0.53 -0.99 2.37 2.43 -1.40 -1.88 114.38 116.12 1nji h ARG 9 Ca 0.18 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.33 1nji h ARG 9 Cb 0.07 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.45 1nji h ARG 9 CO -0.03 0.39 0.65 1.49 -1.51 0.00 0.00 179.97 180.97 1nji h GLU 10 N 0.51 1.25 -0.24 0.20 4.57 -0.76 -2.39 114.58 117.72 1nji h GLU 10 Ca 0.14 -0.08 -0.03 0.00 -1.18 0.00 0.00 59.36 58.22 1nji h GLU 10 Cb -0.00 -0.28 -0.01 0.00 -0.16 0.00 0.00 28.75 28.30 1nji h GLU 10 CO -0.03 0.83 0.04 0.00 -1.18 0.00 0.00 179.01 178.67 1nji h ALA 11 N 1.41 0.31 0.00 2.92 0.00 -0.78 -2.92 119.26 120.20 1nji h ALA 11 Ca 0.38 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1nji h ALA 11 Cb -0.05 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1nji h ALA 11 CO -0.11 -0.01 0.00 0.91 0.00 0.00 0.00 179.25 180.04 1nji n TRP 12 N -4.71 0.00 0.09 0.00 7.02 -0.75 -2.62 117.44 116.47 1nji n TRP 12 Ca -0.03 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.42 1nji n TRP 12 Cb 0.19 -0.25 0.22 0.00 -2.42 0.00 0.00 31.31 29.05 1nji n TRP 12 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 1nji h LYS 13 N 0.00 0.26 -2.38 -0.99 1.57 -1.26 -3.33 116.57 110.44 1nji h LYS 13 Ca 0.00 -0.12 -0.59 0.00 -1.87 0.00 0.00 60.65 58.07 1nji h LYS 13 Cb 0.12 -0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.03 1nji h LYS 13 CO 0.00 0.62 -0.86 0.54 -0.57 0.00 0.00 179.45 179.18 1nji n ARG 14 N -4.03 1.10 0.00 3.15 1.74 -1.08 -4.98 116.66 112.57 1nji n ARG 14 Ca -0.01 -3.73 0.00 0.00 -0.77 0.00 0.00 57.85 53.33 1nji n ARG 14 Cb 0.48 -1.77 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 1nji n ARG 14 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1nji n PRO 15 N 1.89 0.00 -0.31 5.56 -0.04 -1.25 -1.63 135.00 139.22 1nji n PRO 15 Ca 0.25 0.18 0.07 0.00 -0.04 0.00 0.00 63.50 63.97 1nji n PRO 15 Cb 0.45 -1.51 0.20 0.00 -0.04 0.00 0.00 33.50 32.61 1nji n PRO 15 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1nji n LYS 16 N -1.16 2.75 -4.54 0.54 5.02 -1.26 -3.83 118.16 115.68 1nji n LYS 16 Ca 0.00 -2.51 -0.25 0.00 -2.02 0.00 0.00 58.31 53.52 1nji n LYS 16 Cb 0.01 -1.60 -0.11 0.00 -0.02 0.00 0.00 35.03 33.32 1nji n LYS 16 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1nji s GLU 17 N -2.21 1.80 1.30 1.97 0.41 -0.65 -4.80 118.70 116.52 1nji s GLU 17 Ca 0.33 -1.95 0.00 0.00 -0.41 0.00 0.00 54.97 52.94 1nji s GLU 17 Cb 0.25 -1.55 0.00 0.00 -1.78 0.00 0.00 34.13 31.06 1nji s GLU 17 CO 0.10 0.06 0.00 0.41 -0.49 0.00 0.00 175.26 175.33 1nji n GLY 18 N -0.80 0.93 0.05 -1.39 0.00 -1.26 -2.02 105.19 100.71 1nji n GLY 18 Ca -0.05 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 1nji n GLY 18 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1nji h GLN 19 N 0.00 -0.04 -0.90 1.61 4.20 -1.98 -2.65 115.11 115.35 1nji h GLN 19 Ca 0.00 0.00 0.20 0.00 0.06 0.00 0.00 58.65 58.91 1nji h GLN 19 Cb 0.00 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 27.72 1nji h GLN 19 CO 0.00 0.01 0.59 0.97 -0.67 0.00 0.00 178.83 179.74 1nji h ILE 20 N -0.08 0.69 -0.83 2.54 2.10 -1.91 0.43 117.51 120.45 1nji h ILE 20 Ca -0.00 -0.15 0.06 0.00 1.08 0.00 0.00 64.86 65.85 1nji h ILE 20 Cb 0.07 0.22 -0.06 0.00 -1.09 0.00 0.00 36.82 35.95 1nji h ILE 20 CO 0.01 0.08 0.51 0.00 -1.08 0.00 0.00 178.15 177.66 1nji h ALA 21 N 1.61 1.14 -0.11 0.18 0.00 -1.02 0.30 119.26 121.36 1nji h ALA 21 Ca 0.47 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 55.18 1nji h ALA 21 Cb 1.13 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1nji h ALA 21 CO -0.19 0.23 -0.74 1.49 0.00 0.00 0.00 179.25 180.05 1nji h GLU 22 N 0.92 0.53 -0.10 0.00 4.81 -0.22 -2.56 114.58 117.97 1nji h GLU 22 Ca 0.37 -0.43 0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1nji h GLU 22 Cb 0.19 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1nji h GLU 22 CO -0.18 1.06 -0.00 -0.07 -0.73 0.00 0.00 179.01 179.09 1nji h LEU 23 N 0.37 -0.05 -0.05 1.64 3.38 -0.25 -1.47 115.31 118.88 1nji h LEU 23 Ca -0.04 0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.99 1nji h LEU 23 Cb 1.33 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 42.08 1nji h LEU 23 CO 0.14 -0.01 -0.21 0.24 0.09 0.00 0.00 178.44 178.69 1nji h MET 24 N 0.03 -0.29 -0.98 1.13 2.86 -0.95 0.50 114.93 117.22 1nji h MET 24 Ca 0.05 0.02 0.19 0.00 -2.06 0.00 0.00 59.70 57.90 1nji h MET 24 Cb 0.06 0.07 -0.09 0.00 0.06 0.00 0.00 31.60 31.69 1nji h MET 24 CO -0.08 -0.20 0.61 2.35 1.06 0.00 0.00 176.91 180.66 1nji h TRP 25 N -0.30 0.91 0.30 -0.22 7.01 -1.19 -0.55 115.95 121.91 1nji h TRP 25 Ca 0.07 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.09 1nji h TRP 25 Cb 0.41 -0.28 0.00 0.00 -2.10 0.00 0.00 29.16 27.19 1nji h TRP 25 CO -0.27 0.22 -0.14 0.45 -2.79 0.00 0.00 178.44 175.90 1nji h HIS 26 N 0.67 -0.37 -0.55 2.65 3.86 -0.07 -3.36 115.15 117.99 1nji h HIS 26 Ca 0.54 -0.01 0.09 0.00 -1.16 0.00 0.00 60.37 59.84 1nji h HIS 26 Cb 0.97 0.12 -0.11 0.00 1.06 0.00 0.00 27.41 29.46 1nji h HIS 26 CO -0.00 -0.23 -0.38 0.00 0.86 0.00 0.00 177.93 178.18 1nji h ARG 27 N -0.71 -0.21 -1.04 2.45 3.08 0.35 -2.31 114.38 115.98 1nji h ARG 27 Ca -0.04 0.01 0.27 0.00 0.07 0.00 0.00 59.98 60.29 1nji h ARG 27 Cb 0.31 0.05 -0.09 0.00 0.08 0.00 0.00 29.97 30.31 1nji h ARG 27 CO 0.07 -0.14 0.67 0.52 -1.07 0.00 0.00 179.97 180.02 1nji h MET 28 N -0.21 0.38 -0.80 0.04 2.86 -1.29 0.52 114.93 116.43 1nji h MET 28 Ca 0.20 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.86 1nji h MET 28 Cb 0.56 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 32.08 1nji h MET 28 CO -0.66 0.25 0.50 1.96 1.06 0.00 0.00 176.91 180.02 1nji h GLN 29 N 0.39 0.92 0.02 1.72 4.20 -1.55 0.44 115.11 121.25 1nji h GLN 29 Ca 0.60 -0.06 -0.24 0.00 0.06 0.00 0.00 58.65 59.01 1nji h GLN 29 Cb 1.53 -0.21 0.01 0.00 0.30 0.00 0.00 27.48 29.10 1nji h GLN 29 CO -0.30 0.61 -1.00 0.93 -0.67 0.00 0.00 178.83 178.40 1nji h GLU 30 N 0.95 0.45 -0.37 1.46 5.08 -0.16 -3.26 114.58 118.73 1nji h GLU 30 Ca 0.33 -0.51 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1nji h GLU 30 Cb 0.07 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1nji h GLU 30 CO -0.14 1.16 0.21 -1.49 -1.00 0.00 0.00 179.01 177.76 1nji h TRP 31 N 0.24 0.50 -0.03 4.33 6.55 -0.05 -1.86 115.95 125.62 1nji h TRP 31 Ca -0.10 -0.01 0.01 0.00 0.95 0.00 0.00 58.89 59.74 1nji h TRP 31 Cb 1.65 -0.16 -0.00 0.00 -0.86 0.00 0.00 29.16 29.78 1nji h TRP 31 CO 0.07 0.38 0.15 0.00 -1.05 0.00 0.00 178.44 177.99 1nji h ARG 32 N 0.48 0.00 -0.01 0.49 3.08 -0.19 0.33 114.38 118.56 1nji h ARG 32 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1nji h ARG 32 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1nji h ARG 32 CO -0.02 0.00 -0.50 0.09 -1.07 0.00 0.00 179.97 178.47 1nji n ASN 33 N -3.16 1.46 -4.37 7.04 3.02 -0.74 -4.94 115.26 113.56 1nji n ASN 33 Ca -0.02 -1.15 -0.27 0.00 -0.03 0.00 0.00 54.58 53.11 1nji n ASN 33 Cb 0.22 0.45 0.15 0.00 -0.61 0.00 0.00 39.78 39.99 1nji n ASN 33 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1nji s GLU 34 N -2.61 1.08 0.00 3.52 2.02 0.12 -5.10 118.70 117.72 1nji s GLU 34 Ca 0.18 -0.82 0.00 0.00 0.02 0.00 0.00 54.97 54.35 1nji s GLU 34 Cb 0.18 -2.09 0.00 0.00 0.10 0.00 0.00 34.13 32.32 1nji s GLU 34 CO 0.62 -1.98 0.00 -0.35 0.02 0.00 0.00 175.26 173.56 1nji n PRO 35 N -3.32 0.28 -0.08 0.39 -0.04 -1.26 -5.00 135.00 125.96 1nji n PRO 35 Ca 0.16 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.47 1nji n PRO 35 Cb 0.60 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 34.01 1nji n PRO 35 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nji h ALA 36 N -1.88 0.43 -3.28 0.55 0.00 -1.92 -3.42 119.26 109.74 1nji h ALA 36 Ca 0.00 -0.51 -0.51 0.00 0.00 0.00 0.00 54.91 53.90 1nji h ALA 36 Cb 0.00 -0.07 -0.38 0.00 0.00 0.00 0.00 17.79 17.34 1nji h ALA 36 CO 0.00 0.63 -0.78 0.08 0.00 0.00 0.00 179.25 179.18 1nji s VAL 37 N -4.11 0.73 -0.15 0.00 1.01 -1.26 -1.53 120.40 115.08 1nji s VAL 37 Ca -0.11 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.50 1nji s VAL 37 Cb 0.10 -0.98 0.02 0.00 0.00 0.00 0.00 36.38 35.51 1nji s VAL 37 CO 0.88 0.09 -0.15 -0.69 0.00 0.00 0.00 175.10 175.23 1nji s VAL 38 N 1.80 1.67 0.38 2.92 1.01 -0.58 -4.97 120.40 122.62 1nji s VAL 38 Ca 0.02 -0.70 -0.26 0.00 0.00 0.00 0.00 61.98 61.04 1nji s VAL 38 Cb -0.15 -1.55 -0.09 0.00 0.00 0.00 0.00 36.38 34.60 1nji s VAL 38 CO -0.07 0.48 1.21 -0.60 0.00 0.00 0.00 175.10 176.11 1nji s ARG 39 N 1.41 4.12 -0.02 2.72 3.52 -1.26 -0.96 118.95 128.49 1nji s ARG 39 Ca 0.04 1.95 0.03 0.00 -0.13 0.00 0.00 55.73 57.63 1nji s ARG 39 Cb -0.13 -2.79 -0.00 0.00 -1.56 0.00 0.00 34.95 30.47 1nji s ARG 39 CO -0.11 -0.30 -0.12 0.96 -0.81 0.00 0.00 175.30 174.93 1nji s ILE 40 N -1.32 0.94 0.24 4.11 -4.36 -0.68 -4.89 121.20 115.24 1nji s ILE 40 Ca 0.55 -0.49 -0.06 0.00 -0.26 0.00 0.00 60.65 60.39 1nji s ILE 40 Cb -0.34 -0.80 0.22 0.00 1.25 0.00 0.00 42.46 42.79 1nji s ILE 40 CO 0.43 0.28 1.88 -0.33 0.24 0.00 0.00 174.94 177.43 1nji h GLU 41 N 6.05 1.07 -5.21 0.37 5.08 -1.96 -3.39 114.58 116.59 1nji h GLU 41 Ca -0.33 -0.06 -0.40 0.00 -1.00 0.00 0.00 59.36 57.57 1nji h GLU 41 Cb 1.17 -0.24 -0.22 0.00 0.50 0.00 0.00 28.75 29.96 1nji h GLU 41 CO 0.49 0.71 -0.77 1.03 -1.00 0.00 0.00 179.01 179.46 1nji s ARG 42 N -6.08 0.79 0.27 2.33 1.81 -1.26 -4.94 118.95 111.86 1nji s ARG 42 Ca -0.13 -0.87 -0.30 0.00 -1.72 0.00 0.00 55.73 52.71 1nji s ARG 42 Cb 0.18 -0.76 -0.10 0.00 -0.45 0.00 0.00 34.95 33.82 1nji s ARG 42 CO 0.80 0.17 1.37 -2.14 -0.68 0.00 0.00 175.30 174.82 1nji s PRO 43 N -1.57 4.32 0.39 3.54 0.02 -1.26 -4.94 135.00 135.50 1nji s PRO 43 Ca -0.02 2.23 0.17 0.00 0.02 0.00 0.00 61.00 63.40 1nji s PRO 43 Cb -0.09 -3.11 0.80 0.00 0.02 0.00 0.00 34.50 32.11 1nji s PRO 43 CO 0.02 -0.32 1.81 1.15 -0.33 0.00 0.00 177.00 179.33 1nji h THR 44 N 3.42 1.01 -2.85 0.99 2.02 -2.00 -3.31 112.91 112.18 1nji h THR 44 Ca -0.47 -1.32 -0.61 0.00 0.77 0.00 0.00 66.41 64.78 1nji h THR 44 Cb 1.22 1.76 -0.42 0.00 -1.74 0.00 0.00 68.15 68.97 1nji h THR 44 CO 0.74 0.34 -0.60 0.54 0.37 0.00 0.00 175.52 176.91 1nji n ARG 45 N -3.77 1.89 -0.26 6.66 1.74 -1.26 -4.97 116.66 116.69 1nji n ARG 45 Ca -0.01 -4.45 0.04 0.00 -0.77 0.00 0.00 57.85 52.66 1nji n ARG 45 Cb 0.44 -2.24 0.14 0.00 -1.02 0.00 0.00 32.46 29.78 1nji n ARG 45 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1nji h LEU 46 N 5.12 -0.46 -0.14 0.55 6.46 -1.99 -0.82 115.31 124.04 1nji h LEU 46 Ca 0.16 0.21 0.04 0.00 -0.12 0.00 0.00 57.88 58.17 1nji h LEU 46 Cb 0.74 0.39 -0.04 0.00 -0.73 0.00 0.00 40.66 41.02 1nji h LEU 46 CO 0.72 -0.21 -0.12 -2.24 -0.62 0.00 0.00 178.44 175.98 1nji h ASP 47 N 0.07 -0.37 -0.02 1.25 2.03 -1.93 -1.15 116.42 116.29 1nji h ASP 47 Ca 0.40 0.08 0.03 0.00 -0.73 0.00 0.00 57.03 56.81 1nji h ASP 47 Cb 0.69 0.19 -0.04 0.00 -0.83 0.00 0.00 39.33 39.34 1nji h ASP 47 CO -0.71 -0.16 -0.19 0.03 -1.03 0.00 0.00 179.24 177.18 1nji h ARG 48 N -0.14 -0.29 0.48 4.15 2.47 -1.60 0.10 114.38 119.56 1nji h ARG 48 Ca 0.09 0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.82 1nji h ARG 48 Cb 0.27 0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.64 1nji h ARG 48 CO -0.22 -0.19 -0.36 0.00 0.56 0.00 0.00 179.97 179.76 1nji h ALA 49 N 0.62 -0.85 -0.93 0.04 0.00 -1.00 0.27 119.26 117.41 1nji h ALA 49 Ca 0.06 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 54.94 1nji h ALA 49 Cb 0.39 0.48 -0.08 0.00 0.00 0.00 0.00 17.79 18.57 1nji h ALA 49 CO -0.19 -1.00 0.56 0.00 0.00 0.00 0.00 179.25 178.61 1nji h ARG 50 N -0.82 0.86 -0.19 0.00 3.08 -1.11 0.35 114.38 116.54 1nji h ARG 50 Ca -0.05 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.91 1nji h ARG 50 Cb 0.70 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 1nji h ARG 50 CO 0.01 0.57 -0.04 1.03 -1.07 0.00 0.00 179.97 180.46 1nji h SER 51 N 0.88 0.27 1.12 7.04 0.87 -0.37 -2.55 113.55 120.81 1nji h SER 51 Ca 0.46 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.98 1nji h SER 51 Cb 0.47 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1nji h SER 51 CO -0.27 0.35 -0.28 0.18 -0.53 0.00 0.00 176.83 176.28 1nji n LEU 52 N -4.33 0.67 0.00 2.23 4.77 0.10 -4.91 117.00 115.54 1nji n LEU 52 Ca -0.00 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1nji n LEU 52 Cb 0.21 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1nji n LEU 52 CO 0.37 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 1nji n GLY 53 N 1.35 0.51 3.74 -0.72 0.00 -0.18 -4.83 105.19 105.07 1nji n GLY 53 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1nji n GLY 53 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1nji s TYR 54 N -0.85 2.22 -0.13 1.61 5.04 -0.09 -4.93 117.35 120.22 1nji s TYR 54 Ca 0.00 1.42 -0.08 0.00 -2.44 0.00 0.00 57.07 55.97 1nji s TYR 54 Cb 0.00 -3.75 0.05 0.00 0.35 0.00 0.00 41.96 38.60 1nji s TYR 54 CO 0.00 -2.88 0.31 0.15 -1.34 0.00 0.00 175.55 171.79 1nji s LYS 55 N -3.09 0.31 -0.98 4.97 1.02 -1.26 -4.36 119.74 116.35 1nji s LYS 55 Ca 0.76 0.58 -0.24 0.00 0.02 0.00 0.00 55.97 57.08 1nji s LYS 55 Cb -0.39 -0.00 -0.04 0.00 -0.52 0.00 0.00 37.83 36.88 1nji s LYS 55 CO 0.44 -0.12 1.88 0.00 -0.92 0.00 0.00 175.35 176.63 1nji s ALA 56 N 0.96 1.87 0.08 5.17 0.00 -1.26 -4.81 121.76 123.77 1nji s ALA 56 Ca -0.07 -1.76 -0.10 0.00 0.00 0.00 0.00 51.96 50.03 1nji s ALA 56 Cb -0.07 -4.58 0.01 0.00 0.00 0.00 0.00 23.12 18.48 1nji s ALA 56 CO -0.07 -4.70 0.23 0.21 0.00 0.00 0.00 175.76 171.43 1nji s LYS 57 N 6.58 0.85 0.32 0.00 2.20 -1.26 -5.12 119.74 123.30 1nji s LYS 57 Ca 0.66 -0.81 -0.29 0.00 -0.36 0.00 0.00 55.97 55.17 1nji s LYS 57 Cb -0.04 0.35 -0.10 0.00 -1.51 0.00 0.00 37.83 36.53 1nji s LYS 57 CO 0.01 -0.28 1.29 -0.65 -0.36 0.00 0.00 175.35 175.37 1nji s GLN 58 N -3.48 4.38 0.00 4.03 -0.21 -1.26 -2.73 119.66 120.40 1nji s GLN 58 Ca 0.02 2.18 0.00 0.00 0.02 0.00 0.00 55.36 57.57 1nji s GLN 58 Cb 0.03 -3.09 0.00 0.00 1.00 0.00 0.00 33.01 30.95 1nji s GLN 58 CO -0.09 -0.16 0.00 0.41 -2.12 0.00 0.00 175.29 173.33 1nji n GLY 59 N 0.91 0.75 3.43 3.09 0.00 -1.26 -4.63 105.19 107.48 1nji n GLY 59 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 1nji n GLY 59 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nji s ILE 60 N -2.99 4.07 0.05 -0.61 1.01 -1.10 0.14 121.20 121.76 1nji s ILE 60 Ca 0.00 -0.26 0.09 0.00 0.00 0.00 0.00 60.65 60.48 1nji s ILE 60 Cb 0.00 -2.87 -0.03 0.00 0.01 0.00 0.00 42.46 39.57 1nji s ILE 60 CO 0.00 0.38 -0.26 -0.63 0.00 0.00 0.00 174.94 174.43 1nji s ILE 61 N 1.37 2.15 0.03 2.92 1.09 0.25 -4.86 121.20 124.15 1nji s ILE 61 Ca 0.05 -1.41 0.08 0.00 -1.10 0.00 0.00 60.65 58.27 1nji s ILE 61 Cb -0.15 -1.84 -0.02 0.00 -1.06 0.00 0.00 42.46 39.39 1nji s ILE 61 CO 0.02 0.36 -0.22 -0.69 -0.10 0.00 0.00 174.94 174.30 1nji s VAL 62 N -0.82 1.80 -0.15 2.92 1.01 -1.26 0.78 120.40 124.69 1nji s VAL 62 Ca 0.12 -1.17 -0.13 0.00 0.00 0.00 0.00 61.98 60.79 1nji s VAL 62 Cb -0.10 -1.54 0.04 0.00 0.00 0.00 0.00 36.38 34.78 1nji s VAL 62 CO 0.02 0.32 0.39 -0.69 0.00 0.00 0.00 175.10 175.14 1nji s VAL 63 N -0.72 -0.00 -0.10 2.92 1.01 -0.27 -1.68 120.40 121.55 1nji s VAL 63 Ca 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 61.98 61.94 1nji s VAL 63 Cb -0.09 -0.54 -0.05 0.00 0.00 0.00 0.00 36.38 35.70 1nji s VAL 63 CO 0.01 0.00 0.31 -0.60 0.00 0.00 0.00 175.10 174.82 1nji s ARG 64 N 0.25 4.01 -0.04 2.72 3.52 -0.13 0.47 118.95 129.74 1nji s ARG 64 Ca -0.00 0.17 0.06 0.00 -0.13 0.00 0.00 55.73 55.82 1nji s ARG 64 Cb -0.03 -3.32 -0.01 0.00 -1.56 0.00 0.00 34.95 30.03 1nji s ARG 64 CO 0.00 0.47 -0.21 0.08 -0.81 0.00 0.00 175.30 174.83 1nji s VAL 65 N -0.27 1.71 -0.15 7.11 1.01 0.54 -1.53 120.40 128.82 1nji s VAL 65 Ca 0.19 -0.89 -0.07 0.00 0.00 0.00 0.00 61.98 61.21 1nji s VAL 65 Cb -0.14 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 1nji s VAL 65 CO 0.07 0.48 0.09 0.00 0.00 0.00 0.00 175.10 175.74 1nji s ALA 66 N -0.22 3.57 0.01 5.51 0.00 -0.58 -1.96 121.76 128.09 1nji s ALA 66 Ca 0.01 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.27 1nji s ALA 66 Cb -0.11 -1.91 -0.01 0.00 0.00 0.00 0.00 23.12 21.09 1nji s ALA 66 CO 0.02 0.36 -0.06 0.42 0.00 0.00 0.00 175.76 176.50 1nji s ILE 67 N -0.22 0.45 0.39 0.00 -1.09 -0.35 -4.91 121.20 115.47 1nji s ILE 67 Ca 0.09 -0.51 -0.26 0.00 -2.23 0.00 0.00 60.65 57.73 1nji s ILE 67 Cb -0.12 -0.43 -0.09 0.00 -1.58 0.00 0.00 42.46 40.24 1nji s ILE 67 CO 0.01 -0.06 1.23 0.00 -1.23 0.00 0.00 174.94 174.89 1nji s ARG 68 N -0.62 4.09 0.79 2.79 3.03 -1.26 -0.81 118.95 126.96 1nji s ARG 68 Ca -0.02 2.00 -0.11 0.00 2.03 0.00 0.00 55.73 59.62 1nji s ARG 68 Cb -0.05 -2.78 0.08 0.00 -1.03 0.00 0.00 34.95 31.17 1nji s ARG 68 CO 0.00 -0.34 1.15 0.15 -1.13 0.00 0.00 175.30 175.13 1nji s LYS 69 N -2.16 2.02 0.00 3.89 1.02 0.71 -4.84 119.74 120.38 1nji s LYS 69 Ca 0.55 0.05 0.00 0.00 0.02 0.00 0.00 55.97 56.59 1nji s LYS 69 Cb -0.34 -1.99 0.00 0.00 -0.52 0.00 0.00 37.83 34.98 1nji s LYS 69 CO 0.44 -1.53 0.00 0.41 -0.92 0.00 0.00 175.35 173.75 1nji n GLY 70 N -3.24 0.54 2.43 -3.33 0.00 -1.26 -5.02 105.19 95.31 1nji n GLY 70 Ca 0.08 -2.00 -0.21 0.00 0.00 0.00 0.00 46.02 43.89 1nji n GLY 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nji n SER 71 N -0.20 -1.93 -4.75 1.61 3.41 -1.26 -4.96 113.62 105.55 1nji n SER 71 Ca 0.00 -0.94 -0.41 0.00 -0.26 0.00 0.00 58.87 57.26 1nji n SER 71 Cb 0.00 -0.70 -0.01 0.00 -0.26 0.00 0.00 64.21 63.23 1nji n SER 71 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1nji s SER 72 N -3.50 6.37 -0.96 4.04 0.15 -1.09 -4.92 113.70 113.80 1nji s SER 72 Ca 0.49 2.96 -0.19 0.00 0.70 0.00 0.00 55.95 59.91 1nji s SER 72 Cb -0.05 -2.64 0.12 0.00 -1.71 0.00 0.00 66.02 61.74 1nji s SER 72 CO 0.38 -0.91 1.19 -0.13 1.20 0.00 0.00 173.24 174.98 1nji s ARG 73 N -0.67 3.62 -0.07 5.44 3.00 -1.26 -4.95 118.95 124.06 1nji s ARG 73 Ca 0.62 -1.70 0.01 0.00 0.00 0.00 0.00 55.73 54.66 1nji s ARG 73 Cb -0.48 -5.00 -0.03 0.00 0.00 0.00 0.00 34.95 29.45 1nji s ARG 73 CO 0.49 -1.84 -0.08 0.50 0.00 0.00 0.00 175.30 174.37 1nji s ARG 74 N 3.00 2.78 0.13 3.54 3.52 -1.26 -5.11 118.95 125.55 1nji s ARG 74 Ca 0.35 -0.58 -0.25 0.00 -0.13 0.00 0.00 55.73 55.13 1nji s ARG 74 Cb -0.04 -2.57 -0.07 0.00 -1.56 0.00 0.00 34.95 30.71 1nji s ARG 74 CO -0.09 0.62 0.76 0.99 -0.81 0.00 0.00 175.30 176.76 1nji s THR 75 N -0.68 4.48 0.51 4.11 2.01 -1.26 -4.98 115.64 119.83 1nji s THR 75 Ca 0.10 1.65 -0.19 0.00 0.31 0.00 0.00 61.69 63.56 1nji s THR 75 Cb -0.11 -4.11 -0.07 0.00 0.01 0.00 0.00 72.50 68.21 1nji s THR 75 CO 0.01 0.49 1.05 -0.60 -0.69 0.00 0.00 174.62 174.89 1nji s ARG 76 N -0.89 3.67 0.31 4.92 3.52 -1.26 -4.97 118.95 124.24 1nji s ARG 76 Ca 0.36 1.37 -0.29 0.00 -0.13 0.00 0.00 55.73 57.03 1nji s ARG 76 Cb -0.22 -2.07 -0.12 0.00 -1.56 0.00 0.00 34.95 30.97 1nji s ARG 76 CO 0.25 -0.54 1.38 1.97 -0.81 0.00 0.00 175.30 177.55 1nji n PHE 77 N -1.18 2.38 -0.47 5.12 1.16 -1.26 -4.95 117.46 118.26 1nji n PHE 77 Ca 0.09 0.47 0.08 0.00 -1.87 0.00 0.00 57.45 56.22 1nji n PHE 77 Cb 0.52 -2.46 0.26 0.00 -1.61 0.00 0.00 39.48 36.19 1nji n PHE 77 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 1nji n ASN 78 N 1.37 3.78 -2.96 5.98 4.13 -1.26 -5.00 115.26 121.30 1nji n ASN 78 Ca 0.07 -2.30 -0.13 0.00 1.68 0.00 0.00 54.58 53.90 1nji n ASN 78 Cb 0.35 -0.42 -0.02 0.00 -1.54 0.00 0.00 39.78 38.15 1nji n ASN 78 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1nji n LYS 79 N 0.70 0.82 -1.72 3.52 4.76 -1.26 -5.14 118.16 119.84 1nji n LYS 79 Ca 0.19 -2.68 -0.42 0.00 -2.87 0.00 0.00 58.31 52.54 1nji n LYS 79 Cb 0.67 2.74 0.00 0.00 -1.84 0.00 0.00 35.03 36.60 1nji n LYS 79 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nji n GLY 80 N -0.57 0.76 3.36 0.72 0.00 -1.26 -5.02 105.19 103.18 1nji n GLY 80 Ca -0.02 0.28 -0.13 0.00 0.00 0.00 0.00 46.02 46.15 1nji n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nji s ARG 81 N -2.05 0.54 0.41 1.61 3.00 -1.26 -5.13 118.95 116.06 1nji s ARG 81 Ca 0.56 0.65 -0.23 0.00 0.00 0.00 0.00 55.73 56.71 1nji s ARG 81 Cb -0.52 0.26 -0.09 0.00 0.00 0.00 0.00 34.95 34.59 1nji s ARG 81 CO 0.61 -0.07 1.01 -0.98 0.00 0.00 0.00 175.30 175.88 1nji s ARG 82 N 0.26 4.19 0.22 3.54 1.70 -1.26 -4.80 118.95 122.81 1nji s ARG 82 Ca -0.00 1.37 0.04 0.00 -0.47 0.00 0.00 55.73 56.67 1nji s ARG 82 Cb -0.03 -2.43 0.60 0.00 -0.57 0.00 0.00 34.95 32.51 1nji s ARG 82 CO 0.00 -0.09 1.08 -1.13 -1.08 0.00 0.00 175.30 174.08 1nji n SER 83 N -0.24 -0.02 -0.18 -2.89 3.41 -1.26 0.11 113.62 112.55 1nji n SER 83 Ca 0.06 1.16 0.15 0.00 -0.26 0.00 0.00 58.87 59.98 1nji n SER 83 Cb 0.51 -0.45 0.49 0.00 -0.26 0.00 0.00 64.21 64.50 1nji n SER 83 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1nji h LYS 84 N 0.00 0.43 -0.71 4.33 3.11 -2.04 -2.28 116.57 119.40 1nji h LYS 84 Ca 0.45 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 58.26 1nji h LYS 84 Cb 0.98 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 32.11 1nji h LYS 84 CO -0.63 0.28 0.00 0.54 -2.81 0.00 0.00 179.45 176.84 1nji n ARG 85 N -4.49 2.68 -0.09 1.90 5.12 0.29 -4.33 116.66 117.74 1nji n ARG 85 Ca 0.15 -2.61 0.08 0.00 -1.93 0.00 0.00 57.85 53.54 1nji n ARG 85 Cb 0.54 -1.56 0.28 0.00 -1.16 0.00 0.00 32.46 30.56 1nji n ARG 85 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 1nji n MET 86 N 1.63 1.58 -1.83 5.56 2.81 -0.86 -4.89 117.12 121.12 1nji n MET 86 Ca 0.24 -0.88 -0.38 0.00 -1.81 0.00 0.00 57.70 54.87 1nji n MET 86 Cb 0.62 -1.30 0.04 0.00 -0.71 0.00 0.00 33.22 31.87 1nji n MET 86 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1nji s MET 87 N -1.75 3.06 0.34 0.03 0.00 -1.26 -4.86 119.30 114.86 1nji s MET 87 Ca 0.25 2.13 0.00 0.00 0.00 0.00 0.00 55.69 58.07 1nji s MET 87 Cb 0.13 -2.16 0.00 0.00 0.00 0.00 0.00 34.83 32.80 1nji s MET 87 CO 0.19 -1.22 0.00 0.28 0.00 0.00 0.00 175.02 174.27 1nji n VAL 88 N -1.20 0.00 -0.23 5.16 0.31 -1.26 -4.85 118.33 116.26 1nji n VAL 88 Ca 0.11 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.39 1nji n VAL 88 Cb 0.46 -0.37 0.05 0.00 -0.91 0.00 0.00 33.84 33.07 1nji n VAL 88 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1nji h ASN 89 N 0.00 0.72 0.37 4.52 2.35 -1.93 -3.21 115.58 118.40 1nji h ASN 89 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1nji h ASN 89 Cb 0.00 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.20 1nji h ASN 89 CO 0.00 0.52 -0.28 0.54 -1.65 0.00 0.00 177.43 176.56 1nji n ARG 90 N -4.65 0.55 -2.32 0.81 1.74 -1.26 -4.85 116.66 106.68 1nji n ARG 90 Ca 0.05 -0.29 -0.41 0.00 -0.77 0.00 0.00 57.85 56.43 1nji n ARG 90 Cb 0.03 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 29.95 1nji n ARG 90 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1nji s ILE 91 N -2.65 3.48 0.20 0.55 1.01 -1.21 -4.99 121.20 117.58 1nji s ILE 91 Ca 0.21 1.20 0.09 0.00 0.00 0.00 0.00 60.65 62.16 1nji s ILE 91 Cb 0.19 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.84 1nji s ILE 91 CO 0.56 0.17 -0.17 0.42 0.00 0.00 0.00 174.94 175.92 1nji s THR 92 N 0.17 1.92 0.47 2.92 -4.23 -1.26 -2.66 115.64 112.97 1nji s THR 92 Ca 0.55 -2.10 -0.19 0.00 -1.18 0.00 0.00 61.69 58.77 1nji s THR 92 Cb -0.34 -2.00 -0.09 0.00 1.34 0.00 0.00 72.50 71.41 1nji s THR 92 CO 0.36 -0.42 0.97 -0.13 -0.54 0.00 0.00 174.62 174.87 1nji s ARG 93 N -3.20 4.06 0.00 3.99 1.81 -1.26 -4.83 118.95 119.52 1nji s ARG 93 Ca 0.21 1.07 0.29 0.00 -1.72 0.00 0.00 55.73 55.58 1nji s ARG 93 Cb -0.04 -2.15 1.36 0.00 -0.45 0.00 0.00 34.95 33.67 1nji s ARG 93 CO 0.08 -0.18 1.97 1.63 -0.68 0.00 0.00 175.30 178.12 1nji n LYS 94 N -1.09 0.23 -4.01 3.54 5.02 -1.26 -4.66 118.16 115.93 1nji n LYS 94 Ca 0.07 0.01 -0.35 0.00 -2.02 0.00 0.00 58.31 56.02 1nji n LYS 94 Cb 0.54 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.93 1nji n LYS 94 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1nji s LYS 95 N -2.76 3.75 0.75 1.97 2.20 -1.26 -5.01 119.74 119.38 1nji s LYS 95 Ca 0.21 -0.45 -0.11 0.00 -0.36 0.00 0.00 55.97 55.27 1nji s LYS 95 Cb 0.19 -3.18 0.04 0.00 -1.51 0.00 0.00 37.83 33.38 1nji s LYS 95 CO 0.48 0.06 1.08 0.54 -0.36 0.00 0.00 175.35 177.16 1nji s ASN 96 N 0.90 4.72 0.29 1.43 4.22 -1.26 -4.87 114.94 120.38 1nji s ASN 96 Ca 0.02 1.78 0.01 0.00 -2.14 0.00 0.00 52.86 52.54 1nji s ASN 96 Cb -0.14 -2.52 0.55 0.00 1.28 0.00 0.00 41.25 40.42 1nji s ASN 96 CO 0.02 -1.89 1.87 0.40 -2.04 0.00 0.00 177.10 175.46 1nji h ILE 97 N -0.99 0.98 -0.67 0.54 2.04 -1.96 -0.80 117.51 116.64 1nji h ILE 97 Ca -0.44 -0.35 0.06 0.00 1.00 0.00 0.00 64.86 65.14 1nji h ILE 97 Cb 1.23 -0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 1nji h ILE 97 CO 0.53 0.18 0.44 -0.61 0.00 0.00 0.00 178.15 178.69 1nji h GLN 98 N 1.01 0.66 -0.00 2.37 4.15 -1.99 0.17 115.11 121.47 1nji h GLN 98 Ca 0.45 -0.04 -0.17 0.00 0.77 0.00 0.00 58.65 59.67 1nji h GLN 98 Cb 0.38 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.90 1nji h GLN 98 CO -0.21 0.44 -0.79 -0.09 -1.93 0.00 0.00 178.83 176.25 1nji h ARG 99 N 0.68 0.01 -0.33 1.69 2.43 -1.52 -1.77 114.38 115.57 1nji h ARG 99 Ca 0.29 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.35 1nji h ARG 99 Cb 0.27 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1nji h ARG 99 CO -0.09 0.79 -0.20 0.82 -1.51 0.00 0.00 179.97 179.78 1nji h ILE 100 N 0.00 1.29 -0.40 1.20 2.04 -0.50 -2.04 117.51 119.11 1nji h ILE 100 Ca -0.01 -1.33 0.04 0.00 1.00 0.00 0.00 64.86 64.56 1nji h ILE 100 Cb 1.39 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 38.87 1nji h ILE 100 CO 0.10 0.43 0.15 0.00 0.00 0.00 0.00 178.15 178.84 1nji h ALA 101 N 0.76 0.48 -0.59 1.87 0.00 -0.63 -0.37 119.26 120.77 1nji h ALA 101 Ca 0.07 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1nji h ALA 101 Cb 0.75 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 1nji h ALA 101 CO 0.06 -0.23 0.33 0.93 0.00 0.00 0.00 179.25 180.33 1nji h GLU 102 N 0.32 0.61 -0.41 0.00 5.08 -1.13 -1.49 114.58 117.56 1nji h GLU 102 Ca 0.18 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1nji h GLU 102 Cb 0.15 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1nji h GLU 102 CO -0.17 0.40 0.14 0.93 -1.00 0.00 0.00 179.01 179.31 1nji h GLU 103 N 0.62 0.62 -0.69 2.33 5.08 -0.65 -0.92 114.58 120.98 1nji h GLU 103 Ca 0.26 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1nji h GLU 103 Cb 0.13 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1nji h GLU 103 CO -0.16 0.61 0.43 0.00 -1.00 0.00 0.00 179.01 178.89 1nji h ARG 104 N 0.51 0.93 0.45 2.33 3.08 -0.71 -0.65 114.38 120.33 1nji h ARG 104 Ca 0.13 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 1nji h ARG 104 Cb 0.23 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1nji h ARG 104 CO -0.01 0.65 -0.30 0.00 -1.07 0.00 0.00 179.97 179.25 1nji h ALA 105 N 1.23 -0.73 -0.75 0.04 0.00 -1.12 -2.19 119.26 115.73 1nji h ALA 105 Ca 0.25 -0.14 0.14 0.00 0.00 0.00 0.00 54.91 55.16 1nji h ALA 105 Cb -0.05 0.38 -0.09 0.00 0.00 0.00 0.00 17.79 18.03 1nji h ALA 105 CO -0.05 -0.93 0.29 -0.97 0.00 0.00 0.00 179.25 177.60 1nji h ASN 106 N -0.73 0.27 -0.07 0.00 -0.73 -0.75 0.11 115.58 113.68 1nji h ASN 106 Ca -0.05 0.11 -0.03 0.00 1.87 0.00 0.00 56.30 58.20 1nji h ASN 106 Cb 0.60 0.09 -0.01 0.00 0.27 0.00 0.00 38.32 39.27 1nji h ASN 106 CO 0.03 0.10 -0.03 0.03 -0.37 0.00 0.00 177.43 177.19 1nji h ARG 107 N 0.44 0.27 0.00 6.67 3.08 -0.85 -1.15 114.38 122.84 1nji h ARG 107 Ca 0.41 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.35 1nji h ARG 107 Cb 0.62 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 1nji h ARG 107 CO -0.40 0.32 -0.31 0.87 -1.07 0.00 0.00 179.97 179.38 1nji h LYS 108 N 0.26 0.00 -2.29 0.04 1.79 -0.17 -3.23 116.57 112.98 1nji h LYS 108 Ca 0.06 0.00 -0.63 0.00 -2.18 0.00 0.00 60.65 57.90 1nji h LYS 108 Cb 0.23 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 30.49 1nji h LYS 108 CO 0.01 0.31 -0.38 1.19 -1.08 0.00 0.00 179.45 179.50 1nji n PHE 109 N -4.08 3.71 -0.61 -1.35 3.01 -0.44 -4.94 117.46 112.76 1nji n PHE 109 Ca -0.02 -3.83 0.47 0.00 1.01 0.00 0.00 57.45 55.07 1nji n PHE 109 Cb 0.36 -0.62 0.73 0.00 -0.01 0.00 0.00 39.48 39.94 1nji n PHE 109 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1nji n PRO 110 N 0.21 -0.01 0.13 -1.08 -0.04 -1.16 0.06 135.00 133.11 1nji n PRO 110 Ca 0.32 1.02 0.12 0.00 -0.04 0.00 0.00 63.50 64.92 1nji n PRO 110 Cb 0.38 -2.29 0.09 0.00 -0.04 0.00 0.00 33.50 31.65 1nji n PRO 110 CO 0.00 0.00 0.00 -2.95 -0.04 0.00 0.00 175.50 172.51 1nji h ASN 111 N 0.00 0.00 -3.36 3.54 -1.07 -1.92 -3.47 115.58 109.30 1nji h ASN 111 Ca 0.85 -0.03 -0.46 0.00 0.07 0.00 0.00 56.30 56.73 1nji h ASN 111 Cb 3.30 0.00 0.06 0.00 -2.07 0.00 0.00 38.32 39.61 1nji h ASN 111 CO -0.09 0.02 0.13 -0.76 0.07 0.00 0.00 177.43 176.79 1nji s LEU 112 N -5.38 3.08 -0.01 6.14 1.43 0.11 -4.51 118.68 119.55 1nji s LEU 112 Ca 0.03 0.39 0.04 0.00 -1.03 0.00 0.00 54.13 53.56 1nji s LEU 112 Cb 0.09 -3.15 -0.01 0.00 0.03 0.00 0.00 46.19 43.15 1nji s LEU 112 CO 0.74 -1.30 -0.13 -0.13 0.23 0.00 0.00 176.35 175.76 1nji s ARG 113 N -5.02 1.09 -0.01 1.70 0.52 -0.82 -4.90 118.95 111.51 1nji s ARG 113 Ca 0.57 -0.47 -0.30 0.00 -0.52 0.00 0.00 55.73 55.01 1nji s ARG 113 Cb -0.11 -1.04 -0.05 0.00 0.52 0.00 0.00 34.95 34.27 1nji s ARG 113 CO 0.43 0.27 1.37 0.08 0.02 0.00 0.00 175.30 177.47 1nji s VAL 114 N -0.27 3.80 -0.18 3.52 1.01 -1.26 -0.88 120.40 126.13 1nji s VAL 114 Ca 0.04 1.17 -0.04 0.00 0.00 0.00 0.00 61.98 63.16 1nji s VAL 114 Cb -0.05 -3.75 -0.22 0.00 0.00 0.00 0.00 36.38 32.35 1nji s VAL 114 CO -0.00 -0.00 0.10 -0.11 0.00 0.00 0.00 175.10 175.09 1nji n LEU 115 N 5.35 2.73 0.00 3.92 -0.00 0.89 -4.80 117.00 125.09 1nji n LEU 115 Ca 0.13 0.08 0.00 0.00 -0.00 0.00 0.00 56.01 56.22 1nji n LEU 115 Cb 0.44 -1.02 0.00 0.00 -0.00 0.00 0.00 43.42 42.84 1nji n LEU 115 CO 0.58 0.86 0.00 -3.20 -0.00 0.00 0.00 177.39 175.63 1nji n ASN 116 N -3.45 0.00 -3.64 1.96 2.85 -1.17 -4.68 115.26 107.13 1nji n ASN 116 Ca -0.38 0.00 -0.08 0.00 -0.11 0.00 0.00 54.58 54.01 1nji n ASN 116 Cb 1.01 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 42.01 1nji n ASN 116 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1nji s SER 117 N -0.63 -0.34 0.12 1.20 1.04 -1.26 -0.98 113.70 112.85 1nji s SER 117 Ca 0.00 -0.26 -0.17 0.00 0.48 0.00 0.00 55.95 56.00 1nji s SER 117 Cb 0.00 0.55 0.04 0.00 0.10 0.00 0.00 66.02 66.71 1nji s SER 117 CO 0.00 -0.96 0.43 -0.72 0.98 0.00 0.00 173.24 172.97 1nji s TYR 118 N -3.52 -0.25 0.28 5.02 -0.85 -0.59 -4.98 117.35 112.47 1nji s TYR 118 Ca 0.07 -0.01 -0.27 0.00 -0.52 0.00 0.00 57.07 56.34 1nji s TYR 118 Cb -0.02 0.29 -0.09 0.00 0.38 0.00 0.00 41.96 42.51 1nji s TYR 118 CO -0.03 -0.70 0.92 0.45 -1.52 0.00 0.00 175.55 174.67 1nji s SER 119 N -2.69 7.43 -0.19 -0.18 0.15 -1.26 -0.58 113.70 116.38 1nji s SER 119 Ca 0.02 1.84 0.15 0.00 0.70 0.00 0.00 55.95 58.66 1nji s SER 119 Cb 0.01 -2.58 0.44 0.00 -1.71 0.00 0.00 66.02 62.19 1nji s SER 119 CO -0.11 0.03 1.19 1.33 1.20 0.00 0.00 173.24 176.88 1nji n VAL 120 N 0.95 1.69 -0.22 4.45 0.24 0.10 -4.85 118.33 120.69 1nji n VAL 120 Ca -0.00 -2.95 0.00 0.00 -2.04 0.00 0.00 64.34 59.35 1nji n VAL 120 Cb 0.49 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 1nji n VAL 120 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1nji n GLY 121 N -0.61 -3.41 3.48 7.63 0.00 -1.24 -4.80 105.19 106.24 1nji n GLY 121 Ca 0.21 -1.96 -0.13 0.00 0.00 0.00 0.00 46.02 44.13 1nji n GLY 121 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1nji s GLU 122 N -0.77 1.05 0.00 1.61 -1.05 -1.26 -0.78 118.70 117.51 1nji s GLU 122 Ca 0.00 -0.17 0.00 0.00 -0.15 0.00 0.00 54.97 54.65 1nji s GLU 122 Cb 0.00 0.49 0.00 0.00 -0.44 0.00 0.00 34.13 34.18 1nji s GLU 122 CO 0.00 -0.41 0.00 -0.40 0.95 0.00 0.00 175.26 175.40 1nji n ASP 123 N 0.13 0.25 0.04 0.83 5.68 -1.15 -4.99 116.55 117.34 1nji n ASP 123 Ca -0.15 0.00 0.02 0.00 -0.50 0.00 0.00 54.79 54.16 1nji n ASP 123 Cb 0.61 0.00 0.38 0.00 -1.14 0.00 0.00 41.12 40.98 1nji n ASP 123 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1nji h GLY 124 N 0.00 0.47 0.00 6.12 0.00 -2.04 -3.36 103.07 104.26 1nji h GLY 124 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1nji h GLY 124 CO 0.00 0.22 0.00 -0.96 0.00 0.00 0.00 176.54 175.80 1nji n ARG 125 N -4.36 3.10 -3.46 4.80 1.85 -1.26 -4.93 116.66 112.39 1nji n ARG 125 Ca 0.01 -0.01 -0.20 0.00 -1.00 0.00 0.00 57.85 56.64 1nji n ARG 125 Cb 0.17 -0.27 -0.02 0.00 -1.05 0.00 0.00 32.46 31.30 1nji n ARG 125 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1nji s HIS 126 N -0.45 2.59 -0.13 2.89 3.76 -1.26 -0.21 115.29 122.49 1nji s HIS 126 Ca 0.00 -0.51 -0.06 0.00 -0.15 0.00 0.00 55.06 54.34 1nji s HIS 126 Cb 0.00 -2.20 0.06 0.00 1.11 0.00 0.00 32.58 31.55 1nji s HIS 126 CO 0.00 -0.25 0.29 0.15 -0.85 0.00 0.00 174.74 174.08 1nji s LYS 127 N -4.21 0.24 -0.06 1.40 1.02 0.01 -2.92 119.74 115.22 1nji s LYS 127 Ca 0.49 0.67 0.04 0.00 0.02 0.00 0.00 55.97 57.19 1nji s LYS 127 Cb -0.04 -0.05 -0.02 0.00 -0.52 0.00 0.00 37.83 37.19 1nji s LYS 127 CO 0.29 -0.20 -0.17 -1.58 -0.92 0.00 0.00 175.35 172.77 1nji s TRP 128 N 1.66 2.64 -0.00 3.18 0.51 0.04 -1.21 118.94 125.76 1nji s TRP 128 Ca -0.06 -0.40 0.02 0.00 -2.12 0.00 0.00 56.10 53.54 1nji s TRP 128 Cb -0.10 -1.65 -0.01 0.00 -0.81 0.00 0.00 33.47 30.90 1nji s TRP 128 CO -0.10 0.00 -0.06 -1.01 -0.51 0.00 0.00 176.95 175.28 1nji s HIS 129 N -0.38 0.53 -0.20 -1.98 3.76 -0.83 -0.73 115.29 115.46 1nji s HIS 129 Ca 0.04 -0.11 -0.12 0.00 -0.15 0.00 0.00 55.06 54.72 1nji s HIS 129 Cb -0.12 -0.34 -0.05 0.00 1.11 0.00 0.00 32.58 33.18 1nji s HIS 129 CO 0.02 -0.01 0.21 -1.21 -0.85 0.00 0.00 174.74 172.90 1nji s GLU 130 N -0.18 4.19 -0.11 1.40 2.02 0.25 -0.34 118.70 125.92 1nji s GLU 130 Ca 0.02 -0.10 -0.03 0.00 0.02 0.00 0.00 54.97 54.87 1nji s GLU 130 Cb -0.02 -3.46 -0.03 0.00 0.10 0.00 0.00 34.13 30.72 1nji s GLU 130 CO -0.00 0.20 0.00 0.08 0.02 0.00 0.00 175.26 175.57 1nji s VAL 131 N 0.62 4.31 -0.27 2.63 1.01 0.18 -1.54 120.40 127.33 1nji s VAL 131 Ca 0.11 -0.23 -0.11 0.00 0.00 0.00 0.00 61.98 61.75 1nji s VAL 131 Cb -0.12 -2.85 -0.05 0.00 0.00 0.00 0.00 36.38 33.36 1nji s VAL 131 CO 0.02 0.56 0.20 -0.63 0.00 0.00 0.00 175.10 175.25 1nji s ILE 132 N -0.44 5.31 0.24 2.22 1.01 -0.16 -1.12 121.20 128.27 1nji s ILE 132 Ca 0.08 0.20 0.10 0.00 0.00 0.00 0.00 60.65 61.03 1nji s ILE 132 Cb -0.12 -3.54 -0.05 0.00 0.01 0.00 0.00 42.46 38.77 1nji s ILE 132 CO 0.02 0.26 -0.12 -0.76 0.00 0.00 0.00 174.94 174.34 1nji s LEU 133 N 1.66 2.84 -0.01 2.97 1.02 0.23 -0.08 118.68 127.32 1nji s LEU 133 Ca 0.08 -0.79 0.03 0.00 0.02 0.00 0.00 54.13 53.46 1nji s LEU 133 Cb -0.16 -1.42 -0.01 0.00 0.02 0.00 0.00 46.19 44.63 1nji s LEU 133 CO 0.10 0.05 -0.10 -0.63 0.02 0.00 0.00 176.35 175.80 1nji s ILE 134 N -2.17 0.76 -0.64 -0.59 -1.09 -0.06 -0.58 121.20 116.83 1nji s ILE 134 Ca 0.28 -0.40 -0.23 0.00 -2.23 0.00 0.00 60.65 58.07 1nji s ILE 134 Cb -0.07 -0.64 0.07 0.00 -1.58 0.00 0.00 42.46 40.24 1nji s ILE 134 CO 0.16 0.22 0.94 -0.62 -1.23 0.00 0.00 174.94 174.41 1nji s ASP 135 N -0.18 6.20 0.00 3.58 -1.08 0.12 -1.94 116.67 123.37 1nji s ASP 135 Ca 0.03 -0.91 0.12 0.00 -0.52 0.00 0.00 52.55 51.27 1nji s ASP 135 Cb -0.04 -2.41 0.64 0.00 -1.46 0.00 0.00 42.92 39.64 1nji s ASP 135 CO -0.00 -1.38 1.29 -0.81 0.52 0.00 0.00 175.17 174.78 1nji n PRO 136 N 7.58 0.20 0.00 4.34 -0.04 -1.26 -2.69 135.00 143.12 1nji n PRO 136 Ca -0.03 0.15 0.07 0.00 -0.04 0.00 0.00 63.50 63.65 1nji n PRO 136 Cb 0.46 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.36 1nji n PRO 136 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1nji n ASP 137 N -1.25 1.04 -4.66 3.54 8.00 -1.26 -4.77 116.55 117.19 1nji n ASP 137 Ca 0.06 -1.02 -0.41 0.00 0.71 0.00 0.00 54.79 54.13 1nji n ASP 137 Cb 0.09 0.79 -0.05 0.00 -0.02 0.00 0.00 41.12 41.94 1nji n ASP 137 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1nji s HIS 138 N -2.17 3.36 1.15 1.24 2.46 -1.10 -4.96 115.29 115.28 1nji s HIS 138 Ca 0.08 1.11 -0.13 0.00 0.47 0.00 0.00 55.06 56.60 1nji s HIS 138 Cb 0.12 -2.97 0.28 0.00 -0.13 0.00 0.00 32.58 29.88 1nji s HIS 138 CO 0.52 -0.29 1.04 -1.25 -2.47 0.00 0.00 174.74 172.28 1nji s PRO 139 N 2.36 -0.84 0.00 2.88 0.04 -1.26 -1.91 135.00 136.27 1nji s PRO 139 Ca 0.34 0.90 0.00 0.00 0.04 0.00 0.00 61.00 62.28 1nji s PRO 139 Cb -0.16 -1.56 0.00 0.00 0.04 0.00 0.00 34.50 32.82 1nji s PRO 139 CO 0.10 -3.69 0.00 0.00 0.04 0.00 0.00 177.00 173.45 1nji n ALA 140 N -4.90 0.00 -0.06 8.56 0.00 -1.26 -4.46 120.51 118.39 1nji n ALA 140 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.37 1nji n ALA 140 Cb 0.54 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.94 1nji n ALA 140 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1nji n ILE 141 N 0.00 0.69 0.26 0.00 5.41 -0.80 -3.75 119.36 121.17 1nji n ILE 141 Ca 0.00 -0.23 0.10 0.00 1.00 0.00 0.00 62.75 63.61 1nji n ILE 141 Cb 0.00 -1.18 0.70 0.00 -0.71 0.00 0.00 39.64 38.45 1nji n ILE 141 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1nji h LYS 142 N -0.15 0.00 -0.28 0.38 1.57 -1.64 -1.76 116.57 114.68 1nji h LYS 142 Ca -0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1nji h LYS 142 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.68 1nji h LYS 142 CO -0.09 0.04 0.00 0.43 -0.57 0.00 0.00 179.45 179.26 1nji n SER 143 N -4.25 2.94 -4.52 0.86 7.64 -1.26 -4.72 113.62 110.31 1nji n SER 143 Ca -0.03 -1.92 -0.43 0.00 1.01 0.00 0.00 58.87 57.50 1nji n SER 143 Cb 0.13 -0.18 -0.06 0.00 -1.01 0.00 0.00 64.21 63.09 1nji n SER 143 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1nji s ASP 144 N -1.59 6.33 0.00 6.43 -1.08 -0.67 -4.91 116.67 121.19 1nji s ASP 144 Ca 0.36 -0.34 0.00 0.00 -0.52 0.00 0.00 52.55 52.05 1nji s ASP 144 Cb 0.21 -2.34 0.00 0.00 -1.46 0.00 0.00 42.92 39.33 1nji s ASP 144 CO 0.30 -0.84 0.79 0.47 0.52 0.00 0.00 175.17 176.41 1nji n ASP 145 N 6.41 0.00 -0.00 -0.34 8.00 -1.26 0.13 116.55 129.48 1nji n ASP 145 Ca -0.01 0.30 0.05 0.00 0.71 0.00 0.00 54.79 55.84 1nji n ASP 145 Cb 0.48 -0.30 -0.07 0.00 -0.02 0.00 0.00 41.12 41.21 1nji n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nji n GLN 146 N -1.29 2.13 0.00 -1.24 6.02 -1.26 -4.67 117.38 117.07 1nji n GLN 146 Ca 0.00 -0.04 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 1nji n GLN 146 Cb 0.01 -1.12 0.00 0.00 1.02 0.00 0.00 30.24 30.15 1nji n GLN 146 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1nji n LEU 147 N -1.52 0.00 0.26 1.08 4.77 -0.73 -4.75 117.00 116.12 1nji n LEU 147 Ca 0.00 -0.08 0.15 0.00 -0.03 0.00 0.00 56.01 56.05 1nji n LEU 147 Cb 0.22 0.00 0.67 0.00 -2.33 0.00 0.00 43.42 41.99 1nji n LEU 147 CO 0.23 0.00 1.13 0.77 -1.33 0.00 0.00 177.39 178.19 1nji h SER 148 N 0.00 0.00 0.43 -1.43 4.64 -0.32 -0.16 113.55 116.71 1nji h SER 148 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1nji h SER 148 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1nji h SER 148 CO 0.00 0.00 -0.04 4.11 -0.87 0.00 0.00 176.83 180.03 1nji h TRP 149 N 0.00 0.00 -0.00 4.77 5.08 -1.85 -0.67 115.95 123.28 1nji h TRP 149 Ca 0.06 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.03 1nji h TRP 149 Cb 1.03 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.19 1nji h TRP 149 CO 0.00 0.04 -0.12 1.51 -1.28 0.00 0.00 178.44 178.58 1nji n ILE 150 N -3.26 0.00 0.30 0.12 3.06 -0.07 -3.37 119.36 116.14 1nji n ILE 150 Ca -0.02 -0.05 0.12 0.00 -2.50 0.00 0.00 62.75 60.31 1nji n ILE 150 Cb 0.19 -0.13 0.18 0.00 0.54 0.00 0.00 39.64 40.42 1nji n ILE 150 CO 0.00 0.00 0.00 0.28 -2.50 0.00 0.00 176.55 174.33 1nji h SER 151 N 0.43 0.00 -3.30 9.51 0.02 -1.27 -3.45 113.55 115.49 1nji h SER 151 Ca 0.00 -0.02 -0.57 0.00 -0.84 0.00 0.00 61.79 60.36 1nji h SER 151 Cb 0.38 0.00 0.12 0.00 0.14 0.00 0.00 62.40 63.04 1nji h SER 151 CO 0.00 0.01 0.44 0.54 -1.14 0.00 0.00 176.83 176.68 1nji n ARG 152 N -2.78 1.93 0.03 3.45 5.12 -1.22 -4.87 116.66 118.33 1nji n ARG 152 Ca 0.03 0.68 0.14 0.00 -1.93 0.00 0.00 57.85 56.77 1nji n ARG 152 Cb 0.51 -2.28 0.60 0.00 -1.16 0.00 0.00 32.46 30.13 1nji n ARG 152 CO 0.00 0.00 0.00 1.15 -1.93 0.00 0.00 177.63 176.85 1nji h THR 153 N 2.26 0.87 0.00 0.55 2.02 -1.93 0.23 112.91 116.91 1nji h THR 153 Ca -0.46 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 66.66 1nji h THR 153 Cb 1.30 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 1nji h THR 153 CO 0.61 0.03 0.00 0.54 0.37 0.00 0.00 175.52 177.07 1nji n ARG 154 N -4.45 0.14 -0.42 6.66 1.74 -1.26 -2.03 116.66 117.03 1nji n ARG 154 Ca 0.06 0.57 0.11 0.00 -0.77 0.00 0.00 57.85 57.83 1nji n ARG 154 Cb 0.38 -1.90 0.33 0.00 -1.02 0.00 0.00 32.46 30.25 1nji n ARG 154 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1nji n HIS 155 N -2.19 1.08 -1.83 -1.55 8.25 0.80 -4.94 115.22 114.84 1nji n HIS 155 Ca -0.00 -0.52 -0.42 0.00 -0.26 0.00 0.00 57.72 56.51 1nji n HIS 155 Cb 0.08 -0.05 -0.03 0.00 1.12 0.00 0.00 29.99 31.11 1nji n HIS 155 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1nji s ARG 156 N -1.16 4.13 -0.69 -0.41 0.52 -0.86 -2.83 118.95 117.65 1nji s ARG 156 Ca 0.50 2.39 -0.03 0.00 -0.52 0.00 0.00 55.73 58.07 1nji s ARG 156 Cb 0.27 -4.08 0.00 0.00 0.52 0.00 0.00 34.95 31.66 1nji s ARG 156 CO 0.32 -0.93 0.37 1.28 0.02 0.00 0.00 175.30 176.35 1nji n LEU 157 N 7.45 -2.25 -0.20 2.53 4.77 -1.26 -4.96 117.00 123.08 1nji n LEU 157 Ca 0.19 -0.17 -0.05 0.00 -0.03 0.00 0.00 56.01 55.95 1nji n LEU 157 Cb 0.42 -1.65 -0.05 0.00 -2.33 0.00 0.00 43.42 39.81 1nji n LEU 157 CO 0.65 0.17 0.48 0.54 -1.33 0.00 0.00 177.39 177.90 1nji n ARG 158 N -2.36 -0.21 -0.30 3.23 1.74 -1.13 -1.75 116.66 115.87 1nji n ARG 158 Ca -0.03 1.21 0.07 0.00 -0.77 0.00 0.00 57.85 58.33 1nji n ARG 158 Cb 0.55 -1.80 0.18 0.00 -1.02 0.00 0.00 32.46 30.37 1nji n ARG 158 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1nji h THR 159 N 0.00 0.16 0.00 0.55 1.35 -1.91 0.60 112.91 113.65 1nji h THR 159 Ca 0.08 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.92 1nji h THR 159 Cb 0.19 0.12 0.00 0.00 -1.73 0.00 0.00 68.15 66.73 1nji h THR 159 CO -0.44 0.01 0.00 0.49 -0.25 0.00 0.00 175.52 175.32 1nji n PHE 160 N -5.47 0.32 0.11 4.73 3.01 -0.72 -1.12 117.46 118.32 1nji n PHE 160 Ca 0.16 0.15 0.04 0.00 1.01 0.00 0.00 57.45 58.81 1nji n PHE 160 Cb 0.55 -0.74 0.07 0.00 -0.01 0.00 0.00 39.48 39.35 1nji n PHE 160 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1nji n ARG 161 N -1.81 1.50 -1.37 -1.08 1.74 0.17 -4.99 116.66 110.81 1nji n ARG 161 Ca 0.01 -1.44 -0.07 0.00 -0.77 0.00 0.00 57.85 55.58 1nji n ARG 161 Cb 0.08 -1.18 -0.02 0.00 -1.02 0.00 0.00 32.46 30.32 1nji n ARG 161 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nji n GLY 162 N 0.36 0.74 0.09 -0.13 0.00 -0.27 -4.90 105.19 101.07 1nji n GLY 162 Ca 0.07 -0.73 0.15 0.00 0.00 0.00 0.00 46.02 45.51 1nji n GLY 162 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nji n LEU 163 N -0.79 0.28 -4.85 0.99 4.77 -1.10 -3.08 117.00 113.22 1nji n LEU 163 Ca -0.07 -0.10 -0.30 0.00 -0.03 0.00 0.00 56.01 55.52 1nji n LEU 163 Cb 0.28 -0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.46 1nji n LEU 163 CO 0.10 0.05 0.75 -0.89 -1.33 0.00 0.00 177.39 176.06 1nji s THR 164 N -2.00 2.74 0.00 -5.08 2.01 -1.26 -4.79 115.64 107.26 1nji s THR 164 Ca 0.45 0.24 0.00 0.00 0.31 0.00 0.00 61.69 62.69 1nji s THR 164 Cb 0.21 -3.13 0.00 0.00 0.01 0.00 0.00 72.50 69.59 1nji s THR 164 CO 0.35 -0.31 0.73 -1.54 -0.69 0.00 0.00 174.62 173.16 1nji n SER 165 N -3.32 0.00 0.27 3.53 3.41 -1.26 -0.62 113.62 115.62 1nji n SER 165 Ca 0.07 0.73 0.16 0.00 -0.26 0.00 0.00 58.87 59.57 1nji n SER 165 Cb 0.58 -0.23 0.90 0.00 -0.26 0.00 0.00 64.21 65.20 1nji n SER 165 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nji h ALA 166 N -1.66 1.60 0.72 7.33 0.00 -1.94 -2.60 119.26 122.70 1nji h ALA 166 Ca 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1nji h ALA 166 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.80 1nji h ALA 166 CO 0.00 -0.11 -0.35 0.78 0.00 0.00 0.00 179.25 179.57 1nji h GLY 167 N 0.00 -1.01 1.44 0.00 0.00 -1.40 -0.86 103.07 101.24 1nji h GLY 167 Ca 0.03 0.37 -0.04 0.00 0.00 0.00 0.00 47.33 47.70 1nji h GLY 167 CO -0.00 -0.37 0.13 3.21 0.00 0.00 0.00 176.54 179.52 1nji h ARG 168 N -0.96 0.72 -0.04 4.80 3.08 -0.50 -1.08 114.38 120.40 1nji h ARG 168 Ca -0.10 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 59.81 1nji h ARG 168 Cb 0.74 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.67 1nji h ARG 168 CO 0.16 0.64 -0.02 0.00 -1.07 0.00 0.00 179.97 179.68 1nji h ARG 169 N 0.70 0.08 -0.03 0.04 3.08 -1.43 -2.17 114.38 114.65 1nji h ARG 169 Ca 0.16 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.18 1nji h ARG 169 Cb 0.23 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 1nji h ARG 169 CO -0.01 0.48 0.07 0.00 -1.07 0.00 0.00 179.97 179.44 1nji n ARG 171 N -3.46 1.64 -1.15 0.00 1.74 -0.43 -4.91 116.66 110.09 1nji n ARG 171 Ca -0.02 -0.97 -0.05 0.00 -0.77 0.00 0.00 57.85 56.04 1nji n ARG 171 Cb 0.15 -1.32 -0.02 0.00 -1.02 0.00 0.00 32.46 30.25 1nji n ARG 171 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nji n GLY 172 N 1.03 0.79 0.42 -0.13 0.00 0.24 -4.85 105.19 102.69 1nji n GLY 172 Ca 0.13 -0.78 0.09 0.00 0.00 0.00 0.00 46.02 45.46 1nji n GLY 172 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nji n LEU 173 N -0.60 1.27 0.33 0.99 4.77 -0.85 -4.41 117.00 118.50 1nji n LEU 173 Ca -0.05 -0.55 -0.18 0.00 -0.03 0.00 0.00 56.01 55.20 1nji n LEU 173 Cb 0.18 -0.09 -0.09 0.00 -2.33 0.00 0.00 43.42 41.08 1nji n LEU 173 CO 0.08 0.27 0.55 0.03 -1.33 0.00 0.00 177.39 177.00 1nji h ARG 174 N 1.64 -0.99 -6.85 3.23 3.08 -1.82 -3.43 114.38 109.23 1nji h ARG 174 Ca 0.00 0.07 -0.49 0.00 0.07 0.00 0.00 59.98 59.63 1nji h ARG 174 Cb 0.36 0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.63 1nji h ARG 174 CO 0.00 -0.66 0.39 0.20 -1.07 0.00 0.00 179.97 178.83 1nji s GLY 175 N -2.12 2.93 0.00 0.04 0.00 -1.26 -4.95 107.32 101.96 1nji s GLY 175 Ca -0.18 0.68 0.22 0.00 0.00 0.00 0.00 44.72 45.44 1nji s GLY 175 CO 0.61 1.19 1.08 -1.06 0.00 0.00 0.00 173.10 174.92 1nji n GLN 176 N 0.79 0.03 0.00 2.90 6.02 -1.26 -4.70 117.38 121.16 1nji n GLN 176 Ca 0.01 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1nji n GLN 176 Cb 0.48 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.24 1nji n GLN 176 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1nji n GLY 177 N 1.50 1.58 3.62 1.08 0.00 -1.26 -4.93 105.19 106.77 1nji n GLY 177 Ca 0.05 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.60 1nji n GLY 177 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1nji n LYS 178 N 0.00 1.55 0.00 1.61 4.81 -1.26 -1.70 118.16 123.17 1nji n LYS 178 Ca 0.00 0.55 0.00 0.00 -0.87 0.00 0.00 58.31 57.99 1nji n LYS 178 Cb 0.00 -2.11 0.00 0.00 0.02 0.00 0.00 35.03 32.94 1nji n LYS 178 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1nji n GLY 179 N 2.02 3.20 2.07 3.14 0.00 -1.26 -4.90 105.19 109.45 1nji n GLY 179 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 1nji n GLY 179 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nji n SER 180 N 0.06 3.82 -0.01 1.61 3.41 -0.69 -4.54 113.62 117.28 1nji n SER 180 Ca 0.00 -3.40 -0.12 0.00 -0.26 0.00 0.00 58.87 55.10 1nji n SER 180 Cb 0.00 -0.80 -0.06 0.00 -0.26 0.00 0.00 64.21 63.08 1nji n SER 180 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1nji h GLU 181 N 0.91 0.14 -0.54 4.33 3.07 -1.90 -3.02 114.58 117.58 1nji h GLU 181 Ca 0.55 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.38 1nji h GLU 181 Cb 2.53 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 30.42 1nji h GLU 181 CO 0.98 0.27 0.00 1.63 -1.40 0.00 0.00 179.01 180.49 1nji n LYS 182 N -4.92 2.31 0.00 2.33 4.76 -1.26 -4.53 118.16 116.85 1nji n LYS 182 Ca -0.06 -1.90 0.00 0.00 -2.87 0.00 0.00 58.31 53.48 1nji n LYS 182 Cb 0.12 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 31.87 1nji n LYS 182 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1nji n VAL 183 N 0.99 0.00 -2.58 -0.18 0.31 -1.15 -4.24 118.33 111.47 1nji n VAL 183 Ca 0.18 0.37 -0.34 0.00 -0.01 0.00 0.00 64.34 64.54 1nji n VAL 183 Cb 0.47 -1.37 -0.04 0.00 -0.91 0.00 0.00 33.84 31.99 1nji n VAL 183 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1nji s ARG 184 N -0.79 3.89 0.19 5.55 3.52 -1.17 -1.36 118.95 128.79 1nji s ARG 184 Ca 0.00 1.34 0.26 0.00 -0.13 0.00 0.00 55.73 57.20 1nji s ARG 184 Cb 0.00 -2.14 0.85 0.00 -1.56 0.00 0.00 34.95 32.10 1nji s ARG 184 CO 0.00 -0.35 1.79 -0.35 -0.81 0.00 0.00 175.30 175.58 1nji n PRO 185 N -0.84 0.24 -3.54 5.12 -0.04 -1.26 -4.87 135.00 129.81 1nji n PRO 185 Ca 0.09 0.20 -0.17 0.00 -0.04 0.00 0.00 63.50 63.58 1nji n PRO 185 Cb 0.52 -1.78 -0.06 0.00 -0.04 0.00 0.00 33.50 32.14 1nji n PRO 185 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1nji s SER 186 N -4.39 -0.63 0.08 3.54 1.04 -0.46 -5.04 113.70 107.83 1nji s SER 186 Ca 0.11 0.76 -0.22 0.00 0.48 0.00 0.00 55.95 57.07 1nji s SER 186 Cb 0.13 0.61 -0.13 0.00 0.10 0.00 0.00 66.02 66.72 1nji s SER 186 CO 0.58 -0.54 1.68 -0.07 0.98 0.00 0.00 173.24 175.87 1nji h LEU 187 N 3.16 0.08 -1.11 2.42 3.38 -1.79 -2.66 115.31 118.78 1nji h LEU 187 Ca -0.26 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 57.66 1nji h LEU 187 Cb 1.14 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.82 1nji h LEU 187 CO 0.34 0.13 0.60 -0.09 0.09 0.00 0.00 178.44 179.52 1nji h ARG 188 N 0.01 1.14 0.00 1.13 2.43 -1.91 0.10 114.38 117.27 1nji h ARG 188 Ca 0.02 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.07 1nji h ARG 188 Cb 0.07 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 1nji h ARG 188 CO -0.00 0.75 -0.25 -0.24 -1.51 0.00 0.00 179.97 178.72 1nji h VAL 189 N 1.17 0.96 -0.36 0.20 3.04 -1.90 -2.22 116.25 117.13 1nji h VAL 189 Ca 0.36 -0.94 -0.05 0.00 -1.01 0.00 0.00 66.70 65.06 1nji h VAL 189 Cb -0.01 1.54 -0.03 0.00 -2.01 0.00 0.00 31.29 30.78 1nji h VAL 189 CO -0.10 0.25 0.06 0.59 -1.01 0.00 0.00 177.57 177.36 1nji n ASN 190 N -3.91 3.60 -0.15 3.17 3.02 -0.25 -4.86 115.26 115.88 1nji n ASN 190 Ca -0.02 -2.58 -0.02 0.00 -0.03 0.00 0.00 54.58 51.93 1nji n ASN 190 Cb 0.33 -0.62 -0.01 0.00 -0.61 0.00 0.00 39.78 38.88 1nji n ASN 190 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nji n GLY 191 N 0.21 0.44 2.86 7.41 0.00 -0.83 -3.71 105.19 111.57 1nji n GLY 191 Ca 0.19 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 1nji n GLY 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nji n ALA 192 N 1.04 -2.00 -0.48 4.61 0.00 -0.14 -4.99 120.51 118.54 1nji n ALA 192 Ca -0.02 0.09 0.05 0.00 0.00 0.00 0.00 53.44 53.56 1nji n ALA 192 Cb 0.25 -4.40 0.06 0.00 0.00 0.00 0.00 19.45 15.36 1nji n ALA 192 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1nji n LYS 193 N -2.90 2.24 0.00 0.00 5.02 -1.24 -5.06 118.16 116.22 1nji n LYS 193 Ca -0.07 -1.99 0.00 0.00 -2.02 0.00 0.00 58.31 54.23 1nji n LYS 193 Cb 0.60 -1.23 0.00 0.00 -0.02 0.00 0.00 35.03 34.38 1nji n LYS 193 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88