#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nmm h ALA 7 N 0.00 1.31 -0.16 -1.18 0.00 -2.05 -2.31 119.26 114.87 2nmm h ALA 7 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2nmm h ALA 7 Cb 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.46 2nmm h ALA 7 CO 0.00 0.59 0.00 1.28 0.00 0.00 0.00 179.25 181.12 2nmm n LEU 8 N -4.37 0.88 -4.31 0.00 4.77 -1.26 -4.74 117.00 107.98 2nmm n LEU 8 Ca 0.09 -0.44 -0.36 0.00 -0.03 0.00 0.00 56.01 55.27 2nmm n LEU 8 Cb 0.07 -0.11 -0.13 0.00 -2.33 0.00 0.00 43.42 40.92 2nmm n LEU 8 CO 0.38 0.22 -0.33 -0.63 -1.33 0.00 0.00 177.39 175.70 2nmm s ILE 9 N -1.78 3.62 0.35 -0.08 1.01 -0.87 -5.10 121.20 118.35 2nmm s ILE 9 Ca 0.11 -0.70 -0.27 0.00 0.00 0.00 0.00 60.65 59.80 2nmm s ILE 9 Cb 0.06 -2.81 -0.09 0.00 0.01 0.00 0.00 42.46 39.63 2nmm s ILE 9 CO 0.08 0.19 1.11 -2.16 0.00 0.00 0.00 174.94 174.16 2nmm s PRO 10 N 1.46 4.35 0.31 2.79 0.04 -1.26 -4.92 135.00 137.77 2nmm s PRO 10 Ca 0.03 1.75 0.25 0.00 0.04 0.00 0.00 61.00 63.06 2nmm s PRO 10 Cb -0.16 -2.87 1.09 0.00 0.04 0.00 0.00 34.50 32.59 2nmm s PRO 10 CO -0.00 -0.04 1.75 -0.44 0.04 0.00 0.00 177.00 178.31 2nmm h ASP 11 N 3.13 0.00 -3.78 6.66 5.19 -1.93 -3.43 116.42 122.25 2nmm h ASP 11 Ca -0.48 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 55.74 2nmm h ASP 11 Cb 1.22 0.00 -0.27 0.00 0.18 0.00 0.00 39.33 40.46 2nmm h ASP 11 CO 0.64 0.00 -0.54 -0.69 -3.12 0.00 0.00 179.24 175.54 2nmm s VAL 12 N -3.41 -0.00 -0.29 -1.35 1.01 -1.26 0.20 120.40 115.30 2nmm s VAL 12 Ca 0.03 0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.03 2nmm s VAL 12 Cb 0.09 -0.22 0.20 0.00 0.00 0.00 0.00 36.38 36.44 2nmm s VAL 12 CO 0.38 0.00 0.66 -0.62 0.00 0.00 0.00 175.10 175.52 2nmm s ASP 13 N 0.10 -1.42 0.15 3.32 -1.08 -0.65 -4.95 116.67 112.14 2nmm s ASP 13 Ca -0.00 0.26 -0.01 0.00 -0.52 0.00 0.00 52.55 52.28 2nmm s ASP 13 Cb -0.01 1.94 -0.04 0.00 -1.46 0.00 0.00 42.92 43.35 2nmm s ASP 13 CO 0.00 -0.26 0.08 0.27 0.52 0.00 0.00 175.17 175.78 2nmm s ILE 14 N 2.85 0.07 0.77 4.11 -4.36 -1.26 -2.89 121.20 120.49 2nmm s ILE 14 Ca 0.13 -1.94 -0.13 0.00 -0.26 0.00 0.00 60.65 58.45 2nmm s ILE 14 Cb -0.10 -2.20 0.18 0.00 1.25 0.00 0.00 42.46 41.60 2nmm s ILE 14 CO -0.25 -0.31 0.98 0.47 0.24 0.00 0.00 174.94 176.08 2nmm n ASP 15 N -0.15 -0.21 -4.35 4.36 8.00 -0.90 -5.01 116.55 118.29 2nmm n ASP 15 Ca -0.03 -1.31 -0.27 0.00 0.71 0.00 0.00 54.79 53.89 2nmm n ASP 15 Cb 0.64 -0.77 -0.08 0.00 -0.02 0.00 0.00 41.12 40.89 2nmm n ASP 15 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2nmm s SER 16 N -4.54 3.16 0.00 -2.24 0.15 -1.26 -4.92 113.70 104.05 2nmm s SER 16 Ca 0.57 -1.62 0.00 0.00 0.70 0.00 0.00 55.95 55.59 2nmm s SER 16 Cb -0.02 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 2nmm s SER 16 CO 0.40 -0.85 0.00 0.47 1.20 0.00 0.00 173.24 174.46 2nmm n ASP 17 N -1.21 -2.67 0.00 5.45 10.43 -1.16 -4.86 116.55 122.53 2nmm n ASP 17 Ca -0.09 0.25 0.00 0.00 2.57 0.00 0.00 54.79 57.52 2nmm n ASP 17 Cb 0.66 -0.59 0.00 0.00 1.84 0.00 0.00 41.12 43.03 2nmm n ASP 17 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2nmm n GLY 18 N 1.16 1.38 3.71 0.44 0.00 0.66 -4.96 105.19 107.57 2nmm n GLY 18 Ca 0.00 -1.98 -0.32 0.00 0.00 0.00 0.00 46.02 43.71 2nmm n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nmm s VAL 19 N -1.18 4.29 0.05 1.61 1.01 -1.26 -1.31 120.40 123.61 2nmm s VAL 19 Ca 0.00 -0.63 -0.27 0.00 0.00 0.00 0.00 61.98 61.08 2nmm s VAL 19 Cb 0.00 -2.96 0.09 0.00 0.00 0.00 0.00 36.38 33.51 2nmm s VAL 19 CO 0.00 0.31 0.83 0.72 0.00 0.00 0.00 175.10 176.96 2nmm s PHE 20 N -1.17 -0.37 0.49 5.22 -0.12 -0.90 -4.90 117.98 116.23 2nmm s PHE 20 Ca 0.22 0.20 -0.14 0.00 -0.05 0.00 0.00 56.93 57.15 2nmm s PHE 20 Cb -0.12 0.55 -0.07 0.00 -0.63 0.00 0.00 43.02 42.76 2nmm s PHE 20 CO 0.13 -0.64 0.92 0.15 -0.05 0.00 0.00 175.22 175.73 2nmm s LYS 21 N -3.28 3.87 0.20 1.99 1.02 -1.26 -0.70 119.74 121.59 2nmm s LYS 21 Ca 0.05 0.79 -0.13 0.00 0.02 0.00 0.00 55.97 56.70 2nmm s LYS 21 Cb -0.01 -2.21 0.00 0.00 -0.52 0.00 0.00 37.83 35.09 2nmm s LYS 21 CO -0.09 -0.22 0.42 1.52 -0.92 0.00 0.00 175.35 176.07 2nmm s TYR 22 N -2.58 0.23 0.09 3.18 -0.85 -0.33 -2.97 117.35 114.13 2nmm s TYR 22 Ca 0.56 -0.59 -0.03 0.00 -0.52 0.00 0.00 57.07 56.49 2nmm s TYR 22 Cb -0.10 0.16 -0.03 0.00 0.38 0.00 0.00 41.96 42.37 2nmm s TYR 22 CO 0.33 -0.87 0.07 0.14 -1.52 0.00 0.00 175.55 173.69 2nmm s VAL 23 N -3.96 0.16 -0.16 -3.49 -7.23 -0.41 -0.94 120.40 104.37 2nmm s VAL 23 Ca 0.17 -1.68 -0.02 0.00 -1.81 0.00 0.00 61.98 58.63 2nmm s VAL 23 Cb 0.01 -1.67 -0.02 0.00 0.56 0.00 0.00 36.38 35.26 2nmm s VAL 23 CO 0.02 -0.71 -0.08 -0.22 -0.31 0.00 0.00 175.10 173.80 2nmm s LEU 24 N -2.95 2.92 -0.03 1.32 2.96 -0.70 -1.68 118.68 120.52 2nmm s LEU 24 Ca 0.13 -0.29 0.06 0.00 -0.22 0.00 0.00 54.13 53.80 2nmm s LEU 24 Cb 0.07 -1.70 -0.01 0.00 0.50 0.00 0.00 46.19 45.05 2nmm s LEU 24 CO -0.06 0.11 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.24 2nmm s ILE 25 N 0.70 1.70 -0.41 6.68 1.01 0.29 -0.70 121.20 130.47 2nmm s ILE 25 Ca -0.04 -0.90 -0.13 0.00 0.00 0.00 0.00 60.65 59.59 2nmm s ILE 25 Cb -0.15 -1.43 0.04 0.00 0.01 0.00 0.00 42.46 40.93 2nmm s ILE 25 CO 0.02 0.48 0.27 -0.60 0.00 0.00 0.00 174.94 175.11 2nmm s ARG 26 N -0.27 2.87 -0.08 2.79 3.52 -0.42 0.37 118.95 127.73 2nmm s ARG 26 Ca 0.02 -1.15 -0.10 0.00 -0.13 0.00 0.00 55.73 54.37 2nmm s ARG 26 Cb -0.10 -3.88 -0.05 0.00 -1.56 0.00 0.00 34.95 29.36 2nmm s ARG 26 CO 0.01 -0.80 0.25 0.08 -0.81 0.00 0.00 175.30 174.03 2nmm s VAL 27 N 1.59 5.32 -0.25 7.11 1.01 0.43 -2.55 120.40 133.06 2nmm s VAL 27 Ca 0.03 0.46 -0.05 0.00 0.00 0.00 0.00 61.98 62.42 2nmm s VAL 27 Cb -0.20 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.65 2nmm s VAL 27 CO 0.07 0.60 0.01 -1.00 0.00 0.00 0.00 175.10 174.78 2nmm s HIS 28 N -0.99 3.04 0.10 5.22 3.76 -0.74 -1.58 115.29 124.09 2nmm s HIS 28 Ca 0.18 -0.89 -0.22 0.00 -0.15 0.00 0.00 55.06 53.98 2nmm s HIS 28 Cb -0.14 -2.16 0.06 0.00 1.11 0.00 0.00 32.58 31.45 2nmm s HIS 28 CO 0.07 -0.53 0.54 -1.54 -0.85 0.00 0.00 174.74 172.44 2nmm s SER 40 N 1.50 -0.47 0.11 1.40 1.04 -1.26 -4.28 113.70 111.73 2nmm s SER 40 Ca 0.05 0.07 0.01 0.00 0.48 0.00 0.00 55.95 56.56 2nmm s SER 40 Cb -0.15 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 66.46 2nmm s SER 40 CO -0.01 -0.83 -0.05 -1.59 0.98 0.00 0.00 173.24 171.74 2nmm s LYS 41 N -3.09 0.86 -0.07 4.02 -2.85 -0.61 -5.15 119.74 112.84 2nmm s LYS 41 Ca -0.02 -1.36 0.00 0.00 -1.00 0.00 0.00 55.97 53.60 2nmm s LYS 41 Cb -0.00 -0.17 -0.03 0.00 -2.06 0.00 0.00 37.83 35.57 2nmm s LYS 41 CO -0.07 -0.05 -0.06 -1.21 0.10 0.00 0.00 175.35 174.07 2nmm s GLU 42 N -3.86 2.83 0.14 1.78 2.02 -1.26 -0.43 118.70 119.92 2nmm s GLU 42 Ca 0.14 -0.53 0.07 0.00 0.02 0.00 0.00 54.97 54.67 2nmm s GLU 42 Cb 0.06 -2.63 -0.04 0.00 0.10 0.00 0.00 34.13 31.61 2nmm s GLU 42 CO -0.04 0.65 -0.16 0.96 0.02 0.00 0.00 175.26 176.69 2nmm s ILE 43 N -0.76 1.57 -0.23 -1.63 -4.36 0.16 -4.78 121.20 111.16 2nmm s ILE 43 Ca 0.12 -1.81 -0.07 0.00 -0.26 0.00 0.00 60.65 58.63 2nmm s ILE 43 Cb -0.11 -1.68 -0.03 0.00 1.25 0.00 0.00 42.46 41.89 2nmm s ILE 43 CO 0.02 -0.36 0.07 -0.69 0.24 0.00 0.00 174.94 174.21 2nmm s VAL 44 N -2.07 4.41 -0.21 8.37 1.01 0.13 -0.55 120.40 131.49 2nmm s VAL 44 Ca 0.12 -0.15 -0.02 0.00 0.00 0.00 0.00 61.98 61.94 2nmm s VAL 44 Cb -0.05 -3.04 0.06 0.00 0.00 0.00 0.00 36.38 33.35 2nmm s VAL 44 CO 0.05 0.37 0.01 -0.13 0.00 0.00 0.00 175.10 175.39 2nmm s ARG 45 N 1.29 0.97 -0.03 2.72 1.81 -0.67 -1.64 118.95 123.40 2nmm s ARG 45 Ca 0.05 -0.62 -0.01 0.00 -1.72 0.00 0.00 55.73 53.43 2nmm s ARG 45 Cb -0.15 -2.27 0.03 0.00 -0.45 0.00 0.00 34.95 32.11 2nmm s ARG 45 CO 0.03 -0.63 0.04 0.20 -0.68 0.00 0.00 175.30 174.26 2nmm s GLY 46 N 1.70 0.16 0.09 -3.53 0.00 -1.14 -1.29 107.32 103.31 2nmm s GLY 46 Ca -0.02 0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.95 2nmm s GLY 46 CO -0.08 1.00 -0.04 -0.19 0.00 0.00 0.00 173.10 173.80 2nmm s TYR 47 N 1.56 0.78 -0.69 1.90 2.02 -1.16 -2.11 117.35 119.65 2nmm s TYR 47 Ca -0.03 -1.01 0.25 0.00 -0.37 0.00 0.00 57.07 55.91 2nmm s TYR 47 Cb -0.13 -0.48 0.53 0.00 -0.40 0.00 0.00 41.96 41.48 2nmm s TYR 47 CO -0.03 -0.27 1.50 1.63 -1.57 0.00 0.00 175.55 176.80 2nmm n LYS 48 N -0.01 0.27 0.01 -0.62 5.02 -1.26 -3.96 118.16 117.61 2nmm n LYS 48 Ca -0.12 0.13 0.11 0.00 -2.02 0.00 0.00 58.31 56.42 2nmm n LYS 48 Cb 0.61 -1.72 0.49 0.00 -0.02 0.00 0.00 35.03 34.39 2nmm n LYS 48 CO 0.00 0.00 0.00 -2.67 -0.52 0.00 0.00 177.40 174.21 2nmm n TRP 49 N -2.14 0.11 -3.26 2.13 4.27 -1.26 -4.77 117.44 112.52 2nmm n TRP 49 Ca 0.04 0.04 -0.40 0.00 -3.89 0.00 0.00 57.50 53.29 2nmm n TRP 49 Cb 0.43 -0.56 -0.08 0.00 -1.36 0.00 0.00 31.31 29.74 2nmm n TRP 49 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2nmm s ALA 50 N -3.02 3.58 0.18 -1.67 0.00 -1.25 -4.93 121.76 114.64 2nmm s ALA 50 Ca 0.11 -0.67 0.03 0.00 0.00 0.00 0.00 51.96 51.43 2nmm s ALA 50 Cb 0.15 -2.88 0.05 0.00 0.00 0.00 0.00 23.12 20.44 2nmm s ALA 50 CO 0.44 -0.78 1.41 0.93 0.00 0.00 0.00 175.76 177.77 2nmm h GLU 51 N 8.09 0.20 -5.88 0.00 5.08 -1.94 -3.44 114.58 116.69 2nmm h GLU 51 Ca -0.29 -0.20 -0.52 0.00 -1.00 0.00 0.00 59.36 57.35 2nmm h GLU 51 Cb 1.14 0.05 -0.15 0.00 0.50 0.00 0.00 28.75 30.29 2nmm h GLU 51 CO 0.71 0.91 -0.76 0.71 -1.00 0.00 0.00 179.01 179.58 2nmm s TYR 52 N -3.31 1.92 0.19 4.33 2.02 -1.26 -5.05 117.35 116.19 2nmm s TYR 52 Ca -0.03 -0.47 -0.06 0.00 -0.37 0.00 0.00 57.07 56.14 2nmm s TYR 52 Cb 0.10 -0.89 0.12 0.00 -0.40 0.00 0.00 41.96 40.89 2nmm s TYR 52 CO 0.82 0.45 1.56 0.45 -1.57 0.00 0.00 175.55 177.27 2nmm h HIS 53 N 2.70 0.89 -0.23 2.71 3.86 -1.95 -2.56 115.15 120.57 2nmm h HIS 53 Ca -0.40 -0.24 0.07 0.00 -1.16 0.00 0.00 60.37 58.63 2nmm h HIS 53 Cb 1.23 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 29.49 2nmm h HIS 53 CO 0.73 0.99 0.26 0.00 0.86 0.00 0.00 177.93 180.78 2nmm h ALA 54 N 0.98 1.86 -0.44 2.45 0.00 -1.98 0.29 119.26 122.42 2nmm h ALA 54 Ca 0.06 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2nmm h ALA 54 Cb 0.88 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2nmm h ALA 54 CO 0.08 -0.38 0.14 -0.44 0.00 0.00 0.00 179.25 178.64 2nmm h ASP 55 N 0.00 0.65 -0.06 0.00 3.32 -1.87 -0.35 116.42 118.11 2nmm h ASP 55 Ca 0.11 -0.21 -0.22 0.00 0.02 0.00 0.00 57.03 56.73 2nmm h ASP 55 Cb 0.63 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 40.02 2nmm h ASP 55 CO -0.00 0.68 -0.80 0.40 -1.72 0.00 0.00 179.24 177.80 2nmm h ILE 56 N 0.57 1.29 0.45 0.35 2.04 -0.59 -2.99 117.51 118.64 2nmm h ILE 56 Ca 0.14 -2.04 -0.02 0.00 1.00 0.00 0.00 64.86 63.94 2nmm h ILE 56 Cb 0.27 2.05 0.00 0.00 -0.74 0.00 0.00 36.82 38.40 2nmm h ILE 56 CO -0.00 0.64 -0.22 0.22 0.00 0.00 0.00 178.15 178.79 2nmm h TYR 57 N 0.48 -0.56 -0.71 1.37 3.20 -0.99 -1.51 116.97 118.25 2nmm h TYR 57 Ca -0.06 -0.01 0.21 0.00 3.14 0.00 0.00 58.73 62.01 2nmm h TYR 57 Cb 1.43 0.19 -0.03 0.00 1.54 0.00 0.00 36.73 39.85 2nmm h TYR 57 CO 0.08 -0.35 0.71 -0.44 -1.64 0.00 0.00 178.16 176.52 2nmm h ASP 58 N -0.87 0.00 0.18 -2.11 3.32 -1.20 0.16 116.42 115.90 2nmm h ASP 58 Ca -0.06 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.73 2nmm h ASP 58 Cb 0.47 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.04 2nmm h ASP 58 CO 0.10 0.00 -1.15 0.50 -1.72 0.00 0.00 179.24 176.97 2nmm h LYS 59 N 0.00 0.38 -0.02 3.56 3.11 -1.43 -3.07 116.57 119.10 2nmm h LYS 59 Ca 0.34 -0.65 -0.07 0.00 -2.81 0.00 0.00 60.65 57.46 2nmm h LYS 59 Cb 1.75 0.24 0.00 0.00 -1.00 0.00 0.00 32.23 33.23 2nmm h LYS 59 CO -0.00 1.31 -0.24 0.28 -2.81 0.00 0.00 179.45 177.98 2nmm h VAL 60 N -0.17 1.51 0.00 2.00 2.07 0.11 -2.98 116.25 118.80 2nmm h VAL 60 Ca -0.21 -1.84 0.00 0.00 0.82 0.00 0.00 66.70 65.47 2nmm h VAL 60 Cb 1.86 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 34.25 2nmm h VAL 60 CO 0.19 0.51 0.00 -1.54 0.02 0.00 0.00 177.57 176.74 2nmm n SER 61 N -4.51 0.00 0.03 0.57 3.41 0.37 -1.99 113.62 111.49 2nmm n SER 61 Ca -0.09 0.08 -0.22 0.00 -0.26 0.00 0.00 58.87 58.38 2nmm n SER 61 Cb 0.48 -0.29 -0.14 0.00 -0.26 0.00 0.00 64.21 64.00 2nmm n SER 61 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2nmm h GLY 62 N 2.42 0.35 -2.81 5.00 0.00 -1.47 -3.15 103.07 103.42 2nmm h GLY 62 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 47.33 46.44 2nmm h GLY 62 CO 0.00 0.78 0.00 1.22 0.00 0.00 0.00 176.54 178.54 2nmm n ASP 63 N -3.69 1.20 0.00 0.19 8.00 -0.84 -2.54 116.55 118.87 2nmm n ASP 63 Ca -0.27 -0.97 0.00 0.00 0.71 0.00 0.00 54.79 54.26 2nmm n ASP 63 Cb 1.00 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 41.87 2nmm n ASP 63 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 2nmm n GLN 65 N 1.33 0.00 -0.28 -1.24 7.27 -1.19 -3.48 117.38 119.79 2nmm n GLN 65 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 57.00 57.02 2nmm n GLN 65 Cb 0.15 0.00 0.03 0.00 2.41 0.00 0.00 30.24 32.83 2nmm n GLN 65 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 2nmm n LYS 66 N 0.00 1.26 0.00 3.69 2.85 -1.05 -2.02 118.16 122.88 2nmm n LYS 66 Ca 0.00 -0.61 0.00 0.00 -1.05 0.00 0.00 58.31 56.65 2nmm n LYS 66 Cb 0.00 -1.24 0.00 0.00 -0.65 0.00 0.00 35.03 33.14 2nmm n LYS 66 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 2nmm n GLN 67 N 0.23 0.00 0.00 -1.58 6.02 -1.23 -5.04 117.38 115.78 2nmm n GLN 67 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 2nmm n GLN 67 Cb 0.72 -0.25 0.00 0.00 1.02 0.00 0.00 30.24 31.73 2nmm n GLN 67 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2nmm n GLY 68 N 0.00 3.23 3.77 1.08 0.00 -0.86 -5.05 105.19 107.37 2nmm n GLY 68 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2nmm n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nmm s ASP 70 N -1.39 6.22 0.28 0.00 1.11 -1.26 -3.68 116.67 117.95 2nmm s ASP 70 Ca 0.52 0.10 0.03 0.00 0.18 0.00 0.00 52.55 53.37 2nmm s ASP 70 Cb -0.24 -1.75 -0.04 0.00 1.07 0.00 0.00 42.92 41.96 2nmm s ASP 70 CO 0.30 -0.22 0.15 0.00 1.18 0.00 0.00 175.17 176.59 2nmm s GLU 72 N -3.88 0.58 -0.28 0.00 2.02 -1.06 -4.98 118.70 111.11 2nmm s GLU 72 Ca 0.37 0.75 -0.13 0.00 0.02 0.00 0.00 54.97 55.97 2nmm s GLU 72 Cb 0.06 0.25 -0.04 0.00 0.10 0.00 0.00 34.13 34.50 2nmm s GLU 72 CO 0.17 -0.08 0.28 0.00 0.02 0.00 0.00 175.26 175.64 2nmm n LEU 74 N 5.19 4.48 0.00 0.00 4.77 0.12 -5.01 117.00 126.56 2nmm n LEU 74 Ca -0.11 -2.31 0.00 0.00 -0.03 0.00 0.00 56.01 53.55 2nmm n LEU 74 Cb 0.51 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 2nmm n LEU 74 CO 0.35 0.62 0.00 0.61 -1.33 0.00 0.00 177.39 177.65 2nmm n GLY 75 N 0.03 2.04 1.38 -0.72 0.00 -1.26 -4.28 105.19 102.38 2nmm n GLY 75 Ca 0.25 -2.04 -0.07 0.00 0.00 0.00 0.00 46.02 44.16 2nmm n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nmm n GLY 76 N 0.69 3.23 0.00 -0.02 0.00 -0.87 -1.71 105.19 106.51 2nmm n GLY 76 Ca 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.37 2nmm n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nmm n GLY 77 N -0.26 -0.86 2.97 -0.02 0.00 -0.12 -2.88 105.19 104.02 2nmm n GLY 77 Ca 0.02 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 2nmm n GLY 77 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nmm s ARG 78 N -0.66 0.29 -0.04 1.61 0.52 -0.05 -1.18 118.95 119.44 2nmm s ARG 78 Ca 0.00 -0.50 0.06 0.00 -0.52 0.00 0.00 55.73 54.77 2nmm s ARG 78 Cb 0.00 0.01 -0.01 0.00 0.52 0.00 0.00 34.95 35.47 2nmm s ARG 78 CO 0.00 -0.02 -0.23 0.42 0.02 0.00 0.00 175.30 175.49 2nmm s ILE 79 N -1.12 1.83 -0.35 1.52 1.01 0.12 -1.32 121.20 122.89 2nmm s ILE 79 Ca -0.11 -0.96 0.01 0.00 0.00 0.00 0.00 60.65 59.58 2nmm s ILE 79 Cb -0.08 -1.54 0.09 0.00 0.01 0.00 0.00 42.46 40.95 2nmm s ILE 79 CO -0.01 0.51 0.09 -0.55 0.00 0.00 0.00 174.94 174.99 2nmm s SER 80 N -0.26 4.94 -0.17 3.58 0.15 0.42 -2.13 113.70 120.23 2nmm s SER 80 Ca 0.01 -1.94 -0.11 0.00 0.70 0.00 0.00 55.95 54.61 2nmm s SER 80 Cb -0.11 -1.71 -0.05 0.00 -1.71 0.00 0.00 66.02 62.44 2nmm s SER 80 CO 0.02 -0.41 0.19 -2.28 1.20 0.00 0.00 173.24 171.96 2nmm s HIS 81 N 1.05 3.46 -0.13 3.44 5.04 -0.43 -2.14 115.29 125.57 2nmm s HIS 81 Ca 0.06 0.45 -0.01 0.00 -1.54 0.00 0.00 55.06 54.03 2nmm s HIS 81 Cb -0.21 -2.19 0.03 0.00 0.04 0.00 0.00 32.58 30.25 2nmm s HIS 81 CO -0.06 0.33 -0.06 -0.65 -2.34 0.00 0.00 174.74 171.97 2nmm s GLN 82 N 0.20 1.44 0.00 2.88 -0.21 -0.80 -0.25 119.66 122.91 2nmm s GLN 82 Ca 0.12 -0.33 -0.20 0.00 0.02 0.00 0.00 55.36 54.98 2nmm s GLN 82 Cb -0.12 -1.71 -0.25 0.00 1.00 0.00 0.00 33.01 31.93 2nmm s GLN 82 CO 0.01 -0.33 1.07 0.77 -2.12 0.00 0.00 175.29 174.69 2nmm h SER 83 N 8.17 0.56 -0.09 5.90 0.02 -1.97 -2.10 113.55 124.04 2nmm h SER 83 Ca -0.27 -0.79 0.01 0.00 -0.84 0.00 0.00 61.79 59.90 2nmm h SER 83 Cb 1.12 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.47 2nmm h SER 83 CO 0.40 1.29 -0.17 -0.61 -1.14 0.00 0.00 176.83 176.59 2nmm h GLN 84 N -0.10 -0.14 -0.08 3.45 5.75 -1.98 -2.38 115.11 119.62 2nmm h GLN 84 Ca -0.09 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.41 2nmm h GLN 84 Cb 1.42 0.03 0.00 0.00 1.07 0.00 0.00 27.48 30.00 2nmm h GLN 84 CO 0.14 -0.10 0.00 -0.40 -2.65 0.00 0.00 178.83 175.82 2nmm n ASP 85 N -3.51 1.18 -3.50 -0.69 5.68 -1.26 -4.98 116.55 109.47 2nmm n ASP 85 Ca -0.01 -1.54 -0.15 0.00 -0.50 0.00 0.00 54.79 52.59 2nmm n ASP 85 Cb 0.11 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 2nmm n ASP 85 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2nmm n LYS 86 N -0.03 -1.44 -3.84 0.11 5.02 -0.83 -4.90 118.16 112.24 2nmm n LYS 86 Ca 0.17 1.04 -0.12 0.00 -2.02 0.00 0.00 58.31 57.38 2nmm n LYS 86 Cb 0.27 -3.74 -0.13 0.00 -0.02 0.00 0.00 35.03 31.41 2nmm n LYS 86 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2nmm s LYS 87 N -4.20 0.14 -0.11 1.97 1.02 -0.95 -2.51 119.74 115.10 2nmm s LYS 87 Ca 0.01 0.13 0.00 0.00 0.02 0.00 0.00 55.97 56.14 2nmm s LYS 87 Cb -0.01 0.07 0.02 0.00 -0.52 0.00 0.00 37.83 37.39 2nmm s LYS 87 CO 0.84 -0.02 -0.09 0.42 -0.92 0.00 0.00 175.35 175.57 2nmm s ILE 88 N -0.00 1.11 -0.15 2.17 1.01 0.17 -1.91 121.20 123.61 2nmm s ILE 88 Ca -0.01 -0.37 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 2nmm s ILE 88 Cb -0.01 -1.09 -0.01 0.00 0.01 0.00 0.00 42.46 41.36 2nmm s ILE 88 CO 0.00 0.37 -0.12 -2.28 0.00 0.00 0.00 174.94 172.91 2nmm s HIS 89 N 1.43 2.83 -0.10 3.97 2.46 -0.91 -0.70 115.29 124.27 2nmm s HIS 89 Ca 0.00 -0.76 0.01 0.00 0.47 0.00 0.00 55.06 54.78 2nmm s HIS 89 Cb -0.13 -1.89 -0.02 0.00 -0.13 0.00 0.00 32.58 30.41 2nmm s HIS 89 CO -0.06 -0.31 -0.12 0.08 -2.47 0.00 0.00 174.74 171.87 2nmm s VAL 90 N 0.59 3.22 0.00 0.89 1.01 0.16 -0.44 120.40 125.83 2nmm s VAL 90 Ca -0.07 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.28 2nmm s VAL 90 Cb -0.16 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 33.90 2nmm s VAL 90 CO 0.03 0.55 0.00 0.00 0.00 0.00 0.00 175.10 175.68 2nmm n TYR 91 N 2.99 -0.65 -4.40 5.22 4.11 -0.43 -1.12 117.16 122.88 2nmm n TYR 91 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.72 2nmm n TYR 91 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.87 2nmm n TYR 91 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2nmm n GLY 92 N 0.00 -0.93 3.61 -7.48 0.00 -1.26 -0.87 105.19 98.26 2nmm n GLY 92 Ca 0.00 -1.17 -0.09 0.00 0.00 0.00 0.00 46.02 44.76 2nmm n GLY 92 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2nmm s TYR 93 N 0.00 0.36 0.00 1.61 -0.85 -1.25 -4.53 117.35 112.70 2nmm s TYR 93 Ca 0.00 -0.73 0.00 0.00 -0.52 0.00 0.00 57.07 55.82 2nmm s TYR 93 Cb 0.00 0.24 0.00 0.00 0.38 0.00 0.00 41.96 42.58 2nmm s TYR 93 CO 0.00 -1.05 0.00 0.45 -1.52 0.00 0.00 175.55 173.43 2nmm n SER 94 N -0.51 0.39 0.00 -0.18 2.88 0.88 -4.29 113.62 112.79 2nmm n SER 94 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 2nmm n SER 94 Cb 0.62 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 2nmm n SER 94 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2nmm n ALA 96 N -3.00 0.00 0.38 -1.46 0.00 -1.26 -0.00 120.51 115.17 2nmm n ALA 96 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 2nmm n ALA 96 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2nmm n ALA 96 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2nmm n TYR 97 N 0.00 0.00 -3.32 0.00 4.01 -1.26 -5.11 117.16 111.48 2nmm n TYR 97 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2nmm n TYR 97 Cb 0.00 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.01 2nmm n TYR 97 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2nmm n GLY 98 N 1.29 -1.80 3.84 2.72 0.00 1.00 -4.32 105.19 107.92 2nmm n GLY 98 Ca 0.01 -1.48 -0.34 0.00 0.00 0.00 0.00 46.02 44.21 2nmm n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2nmm s PRO 99 N 0.00 4.09 0.07 1.61 0.04 -1.26 -0.09 135.00 139.46 2nmm s PRO 99 Ca 0.00 0.70 0.00 0.00 0.04 0.00 0.00 61.00 61.74 2nmm s PRO 99 Cb 0.00 -2.70 -0.04 0.00 0.04 0.00 0.00 34.50 31.80 2nmm s PRO 99 CO 0.00 0.31 0.22 0.00 0.04 0.00 0.00 177.00 177.57 2nmm s ALA 100 N -1.71 4.01 -0.95 8.56 0.00 -1.14 -4.53 121.76 125.99 2nmm s ALA 100 Ca 0.47 -0.85 -0.24 0.00 0.00 0.00 0.00 51.96 51.34 2nmm s ALA 100 Cb -0.14 -1.83 0.02 0.00 0.00 0.00 0.00 23.12 21.17 2nmm s ALA 100 CO 0.19 0.81 1.60 -0.65 0.00 0.00 0.00 175.76 177.71 2nmm s GLN 101 N -2.57 3.22 0.15 0.00 -0.21 -1.26 -4.79 119.66 114.20 2nmm s GLN 101 Ca 0.35 -0.76 0.08 0.00 0.02 0.00 0.00 55.36 55.05 2nmm s GLN 101 Cb -0.13 -5.16 0.43 0.00 1.00 0.00 0.00 33.01 29.14 2nmm s GLN 101 CO 0.28 -2.58 1.16 0.72 -2.12 0.00 0.00 175.29 172.75 2nmm n HIS 102 N 10.59 0.27 -0.00 0.91 8.25 -1.26 -0.80 115.22 133.17 2nmm n HIS 102 Ca 0.33 0.14 -0.11 0.00 -0.26 0.00 0.00 57.72 57.82 2nmm n HIS 102 Cb 0.50 -0.62 0.03 0.00 1.12 0.00 0.00 29.99 31.02 2nmm n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2nmm h ALA 103 N 1.59 0.64 -0.30 -1.41 0.00 -1.96 0.23 119.26 118.05 2nmm h ALA 103 Ca 0.00 -0.53 -0.15 0.00 0.00 0.00 0.00 54.91 54.23 2nmm h ALA 103 Cb 0.25 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2nmm h ALA 103 CO 0.00 0.69 -0.43 0.82 0.00 0.00 0.00 179.25 180.34 2nmm h ILE 104 N 0.45 1.29 -0.20 0.00 2.04 -1.37 -2.21 117.51 117.51 2nmm h ILE 104 Ca 0.00 -1.61 -0.12 0.00 1.00 0.00 0.00 64.86 64.14 2nmm h ILE 104 Cb 1.14 1.51 -0.00 0.00 -0.74 0.00 0.00 36.82 38.73 2nmm h ILE 104 CO 0.11 0.52 -0.32 0.28 0.00 0.00 0.00 178.15 178.74 2nmm h SER 105 N 0.61 0.63 -0.93 1.72 0.02 -1.52 -3.09 113.55 110.99 2nmm h SER 105 Ca 0.04 -0.53 0.08 0.00 -0.84 0.00 0.00 61.79 60.54 2nmm h SER 105 Cb 0.98 -0.18 -0.06 0.00 0.14 0.00 0.00 62.40 63.28 2nmm h SER 105 CO 0.09 1.04 0.60 0.74 -1.14 0.00 0.00 176.83 178.16 2nmm h THR 106 N 0.25 1.04 -0.19 -2.27 2.02 -0.47 0.53 112.91 113.81 2nmm h THR 106 Ca 0.02 -0.35 -0.03 0.00 0.77 0.00 0.00 66.41 66.82 2nmm h THR 106 Cb 0.91 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 2nmm h THR 106 CO 0.07 0.19 0.02 -0.08 0.37 0.00 0.00 175.52 176.09 2nmm h GLU 107 N 1.02 0.33 -0.12 6.66 4.81 -1.39 -2.04 114.58 123.84 2nmm h GLU 107 Ca 0.41 -0.09 -0.08 0.00 -0.13 0.00 0.00 59.36 59.47 2nmm h GLU 107 Cb 0.26 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2nmm h GLU 107 CO -0.17 0.50 -0.28 0.87 -0.73 0.00 0.00 179.01 179.20 2nmm h LYS 108 N 0.11 0.23 -0.35 1.92 1.57 -1.36 -2.13 116.57 116.57 2nmm h LYS 108 Ca 0.06 -0.08 -0.13 0.00 -1.87 0.00 0.00 60.65 58.63 2nmm h LYS 108 Cb 0.34 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 2nmm h LYS 108 CO 0.01 0.50 -0.28 0.82 -0.57 0.00 0.00 179.45 179.93 2nmm h ILE 109 N 0.21 1.29 -0.24 1.86 2.04 -0.78 -3.17 117.51 118.71 2nmm h ILE 109 Ca 0.03 -1.44 -0.11 0.00 1.00 0.00 0.00 64.86 64.34 2nmm h ILE 109 Cb 0.61 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 2nmm h ILE 109 CO 0.04 0.47 -0.31 0.50 0.00 0.00 0.00 178.15 178.86 2nmm h LYS 110 N 0.59 0.49 0.00 2.37 1.63 -1.14 -0.97 116.57 119.53 2nmm h LYS 110 Ca 0.06 -0.21 -0.03 0.00 -0.85 0.00 0.00 60.65 59.63 2nmm h LYS 110 Cb 0.85 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.46 2nmm h LYS 110 CO 0.07 0.75 -0.12 0.00 -3.45 0.00 0.00 179.45 176.70 2nmm h ALA 111 N 1.25 1.46 0.00 5.00 0.00 -1.38 -0.37 119.26 125.22 2nmm h ALA 111 Ca 0.05 -0.11 -0.26 0.00 0.00 0.00 0.00 54.91 54.59 2nmm h ALA 111 Cb 0.75 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 2nmm h ALA 111 CO 0.06 0.15 -1.79 1.17 0.00 0.00 0.00 179.25 178.84 2nmm n LYS 112 N -3.90 0.64 -2.84 0.00 4.81 -1.02 -4.50 118.16 111.35 2nmm n LYS 112 Ca -0.02 0.19 -0.23 0.00 -0.87 0.00 0.00 58.31 57.38 2nmm n LYS 112 Cb 0.21 -1.73 -0.02 0.00 0.02 0.00 0.00 35.03 33.52 2nmm n LYS 112 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2nmm n TYR 113 N -2.90 2.68 0.22 5.64 4.01 -0.40 -4.91 117.16 121.50 2nmm n TYR 113 Ca -0.18 -3.57 0.11 0.00 -0.16 0.00 0.00 57.90 54.09 2nmm n TYR 113 Cb 1.00 -0.36 0.57 0.00 -0.31 0.00 0.00 39.34 40.24 2nmm n TYR 113 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2nmm h PRO 114 N 2.89 0.00 0.00 -0.72 0.13 -1.30 0.21 132.00 133.20 2nmm h PRO 114 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2nmm h PRO 114 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 2nmm h PRO 114 CO 0.72 0.00 -0.05 -3.47 -0.23 0.00 0.00 178.00 174.96 2nmm n ASP 115 N -2.37 0.58 -4.98 1.44 2.03 -1.26 -4.87 116.55 107.12 2nmm n ASP 115 Ca -0.01 0.51 -0.20 0.00 0.52 0.00 0.00 54.79 55.60 2nmm n ASP 115 Cb 0.28 -0.63 -0.00 0.00 -0.72 0.00 0.00 41.12 40.04 2nmm n ASP 115 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 2nmm s TYR 116 N -3.08 3.18 -0.34 -0.67 2.02 0.72 -5.00 117.35 114.18 2nmm s TYR 116 Ca 0.11 -0.10 -0.11 0.00 -0.37 0.00 0.00 57.07 56.60 2nmm s TYR 116 Cb 0.14 -2.01 0.01 0.00 -0.40 0.00 0.00 41.96 39.70 2nmm s TYR 116 CO 0.59 -0.02 0.19 -2.00 -1.57 0.00 0.00 175.55 172.74 2nmm s GLU 117 N -4.23 3.15 -0.20 -0.62 2.12 -1.05 -4.99 118.70 112.89 2nmm s GLU 117 Ca 0.44 -0.86 -0.04 0.00 0.36 0.00 0.00 54.97 54.87 2nmm s GLU 117 Cb -0.10 -3.68 -0.02 0.00 0.26 0.00 0.00 34.13 30.59 2nmm s GLU 117 CO 0.32 -0.54 -0.02 0.08 -0.54 0.00 0.00 175.26 174.56 2nmm s VAL 118 N 1.61 3.79 0.09 3.70 1.01 -1.26 -0.65 120.40 128.69 2nmm s VAL 118 Ca 0.04 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.66 2nmm s VAL 118 Cb -0.18 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 2nmm s VAL 118 CO 0.07 0.44 -0.05 0.42 0.00 0.00 0.00 175.10 175.98 2nmm s THR 119 N 1.02 0.58 0.10 3.92 -4.23 0.12 -4.99 115.64 112.16 2nmm s THR 119 Ca 0.01 -1.91 0.03 0.00 -1.18 0.00 0.00 61.69 58.64 2nmm s THR 119 Cb -0.14 -1.69 -0.04 0.00 1.34 0.00 0.00 72.50 71.97 2nmm s THR 119 CO 0.01 -0.86 -0.08 -1.66 -0.54 0.00 0.00 174.62 171.48 2nmm s TRP 120 N -3.70 1.00 0.35 3.99 1.48 -1.25 0.35 118.94 121.15 2nmm s TRP 120 Ca 0.12 -0.77 0.04 0.00 -1.06 0.00 0.00 56.10 54.42 2nmm s TRP 120 Cb 0.06 -0.55 -0.04 0.00 -1.16 0.00 0.00 33.47 31.78 2nmm s TRP 120 CO -0.05 -0.05 0.14 0.00 -4.06 0.00 0.00 176.95 172.92 2nmm s ALA 121 N -3.02 2.39 0.00 2.67 0.00 -0.27 -4.93 121.76 118.59 2nmm s ALA 121 Ca 0.09 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.44 2nmm s ALA 121 Cb 0.01 0.94 0.00 0.00 0.00 0.00 0.00 23.12 24.07 2nmm s ALA 121 CO -0.02 -0.42 0.00 0.27 0.00 0.00 0.00 175.76 175.59