#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nut n VAL 2 N 0.00 0.00 -4.13 3.17 0.31 -1.26 -4.90 118.33 111.52 2nut n VAL 2 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.19 2nut n VAL 2 Cb 0.00 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.87 2nut n VAL 2 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 2nut s LEU 3 N 0.00 1.02 0.00 7.52 2.34 -1.26 -4.83 118.68 123.47 2nut s LEU 3 Ca 0.00 -1.39 0.00 0.00 0.06 0.00 0.00 54.13 52.80 2nut s LEU 3 Cb 0.00 1.12 0.00 0.00 -0.56 0.00 0.00 46.19 46.75 2nut s LEU 3 CO 0.00 -1.12 0.00 -0.11 -1.06 0.00 0.00 176.35 174.06 2nut n LEU 4 N -0.46 0.00 -3.94 1.48 7.94 -1.26 -4.76 117.00 116.00 2nut n LEU 4 Ca 0.02 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.70 2nut n LEU 4 Cb 0.63 0.00 -0.16 0.00 0.53 0.00 0.00 43.42 44.41 2nut n LEU 4 CO 0.29 0.00 -0.43 -0.89 -1.11 0.00 0.00 177.39 175.25 2nut s THR 5 N 0.00 0.78 -0.03 1.96 2.01 -1.09 -1.41 115.64 117.86 2nut s THR 5 Ca 0.00 -0.27 0.02 0.00 0.31 0.00 0.00 61.69 61.75 2nut s THR 5 Cb 0.00 -0.76 0.01 0.00 0.01 0.00 0.00 72.50 71.75 2nut s THR 5 CO 0.00 0.28 -0.07 -0.04 -0.69 0.00 0.00 174.62 174.10 2nut s MET 6 N 0.84 0.86 -0.14 4.92 -1.94 -0.92 -1.82 119.30 121.11 2nut s MET 6 Ca -0.12 -0.24 0.02 0.00 -1.71 0.00 0.00 55.69 53.64 2nut s MET 6 Cb -0.15 -0.82 0.01 0.00 2.01 0.00 0.00 34.83 35.89 2nut s MET 6 CO 0.01 0.07 -0.21 0.42 -0.01 0.00 0.00 175.02 175.30 2nut s ILE 7 N 0.32 2.01 0.07 2.53 -1.09 -0.14 -1.12 121.20 123.78 2nut s ILE 7 Ca -0.05 -0.95 -0.12 0.00 -2.23 0.00 0.00 60.65 57.30 2nut s ILE 7 Cb -0.09 -1.79 0.01 0.00 -1.58 0.00 0.00 42.46 39.02 2nut s ILE 7 CO 0.00 0.54 0.28 0.00 -1.23 0.00 0.00 174.94 174.53 2nut s ALA 8 N 0.88 -0.56 -0.02 9.38 0.00 -0.78 -0.26 121.76 130.42 2nut s ALA 8 Ca -0.06 -0.22 -0.30 0.00 0.00 0.00 0.00 51.96 51.38 2nut s ALA 8 Cb -0.15 0.43 -0.04 0.00 0.00 0.00 0.00 23.12 23.36 2nut s ALA 8 CO -0.03 -0.48 1.26 0.50 0.00 0.00 0.00 175.76 177.01 2nut s ARG 9 N -3.17 4.35 0.10 0.00 3.52 -0.17 -0.42 118.95 123.16 2nut s ARG 9 Ca -0.01 1.77 -0.24 0.00 -0.13 0.00 0.00 55.73 57.13 2nut s ARG 9 Cb 0.01 -3.52 -0.11 0.00 -1.56 0.00 0.00 34.95 29.78 2nut s ARG 9 CO -0.07 -0.45 1.70 0.28 -0.81 0.00 0.00 175.30 175.95 2nut h VAL 10 N 4.88 0.76 -0.73 7.11 2.07 -1.35 0.11 116.25 129.10 2nut h VAL 10 Ca -0.37 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.22 2nut h VAL 10 Cb 1.18 0.76 -0.09 0.00 -1.52 0.00 0.00 31.29 31.61 2nut h VAL 10 CO 0.87 0.00 -0.43 0.00 0.02 0.00 0.00 177.57 178.03 2nut n ALA 11 N -2.32 -0.47 0.63 1.67 0.00 -1.26 -3.04 120.51 115.72 2nut n ALA 11 Ca -0.06 0.62 0.07 0.00 0.00 0.00 0.00 53.44 54.06 2nut n ALA 11 Cb 0.15 0.01 -0.05 0.00 0.00 0.00 0.00 19.45 19.56 2nut n ALA 11 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2nut n ASP 12 N -4.66 0.98 -0.01 0.00 3.85 -1.25 -4.98 116.55 110.48 2nut n ASP 12 Ca 0.01 -0.99 -0.00 0.00 -0.71 0.00 0.00 54.79 53.10 2nut n ASP 12 Cb 0.19 0.78 -0.00 0.00 -1.35 0.00 0.00 41.12 40.74 2nut n ASP 12 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2nut n GLY 13 N 1.21 0.41 3.68 6.12 0.00 0.36 -4.86 105.19 112.12 2nut n GLY 13 Ca 0.04 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 2nut n GLY 13 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2nut s LEU 14 N -0.04 4.36 0.29 0.99 2.96 -1.17 -4.73 118.68 121.33 2nut s LEU 14 Ca 0.00 2.43 -0.29 0.00 -0.22 0.00 0.00 54.13 56.05 2nut s LEU 14 Cb 0.00 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 43.03 2nut s LEU 14 CO 0.00 -0.89 1.35 -2.84 -1.32 0.00 0.00 176.35 172.65 2nut s PRO 15 N 2.88 4.33 -0.09 0.98 0.02 -1.26 -1.00 135.00 140.86 2nut s PRO 15 Ca 0.74 2.22 -0.01 0.00 0.02 0.00 0.00 61.00 63.96 2nut s PRO 15 Cb -0.38 -3.10 -0.05 0.00 0.02 0.00 0.00 34.50 30.99 2nut s PRO 15 CO 0.32 -0.27 -0.09 1.28 -0.33 0.00 0.00 177.00 177.91 2nut n LEU 16 N 1.52 2.20 -3.46 -5.54 4.77 0.65 -0.10 117.00 117.04 2nut n LEU 16 Ca 0.03 0.01 -0.14 0.00 -0.03 0.00 0.00 56.01 55.88 2nut n LEU 16 Cb 0.41 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 2nut n LEU 16 CO 0.59 0.49 0.44 0.00 -1.33 0.00 0.00 177.39 177.58 2nut s ALA 17 N -2.17 -1.68 0.05 -1.18 0.00 -1.05 -1.98 121.76 113.76 2nut s ALA 17 Ca -0.12 0.82 -0.28 0.00 0.00 0.00 0.00 51.96 52.39 2nut s ALA 17 Cb 0.04 0.53 0.09 0.00 0.00 0.00 0.00 23.12 23.77 2nut s ALA 17 CO 0.18 -0.62 0.96 0.00 0.00 0.00 0.00 175.76 176.28 2nut s ALA 18 N -2.80 -1.79 -0.12 0.00 0.00 -1.26 -0.97 121.76 114.82 2nut s ALA 18 Ca -0.03 0.63 -0.09 0.00 0.00 0.00 0.00 51.96 52.48 2nut s ALA 18 Cb -0.01 0.49 0.04 0.00 0.00 0.00 0.00 23.12 23.64 2nut s ALA 18 CO -0.05 -0.86 0.31 0.45 0.00 0.00 0.00 175.76 175.61 2nut s SER 19 N -2.70 -0.34 -0.03 0.00 0.15 -0.75 -4.76 113.70 105.27 2nut s SER 19 Ca 0.09 0.64 -0.16 0.00 0.70 0.00 0.00 55.95 57.23 2nut s SER 19 Cb -0.01 0.59 0.03 0.00 -1.71 0.00 0.00 66.02 64.92 2nut s SER 19 CO -0.04 -0.14 0.34 -0.04 1.20 0.00 0.00 173.24 174.56 2nut s MET 20 N 0.75 0.67 -0.23 5.44 -1.94 -1.26 -2.67 119.30 120.06 2nut s MET 20 Ca -0.05 -0.11 -0.10 0.00 -1.71 0.00 0.00 55.69 53.72 2nut s MET 20 Cb -0.06 0.30 0.09 0.00 2.01 0.00 0.00 34.83 37.17 2nut s MET 20 CO -0.05 -0.18 0.53 -0.65 -0.01 0.00 0.00 175.02 174.66 2nut s GLN 21 N -1.19 0.49 -0.16 2.03 -0.21 -1.26 -5.09 119.66 114.27 2nut s GLN 21 Ca -0.12 1.11 -0.16 0.00 0.02 0.00 0.00 55.36 56.20 2nut s GLN 21 Cb -0.05 0.30 -0.05 0.00 1.00 0.00 0.00 33.01 34.21 2nut s GLN 21 CO 0.04 -0.19 -0.31 0.39 -2.12 0.00 0.00 175.29 173.10 2nut n GLU 22 N 4.84 0.47 -0.98 2.91 1.02 -1.26 -4.96 120.64 122.68 2nut n GLU 22 Ca -0.16 0.19 -0.14 0.00 -0.02 0.00 0.00 57.16 57.03 2nut n GLU 22 Cb 0.53 -1.34 -0.05 0.00 -0.02 0.00 0.00 31.44 30.56 2nut n GLU 22 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2nut n ASP 23 N -4.26 5.86 -4.45 1.62 8.00 -1.26 -5.21 116.55 116.86 2nut n ASP 23 Ca -0.12 -2.78 -0.22 0.00 0.71 0.00 0.00 54.79 52.37 2nut n ASP 23 Cb 0.46 -1.22 -0.10 0.00 -0.02 0.00 0.00 41.12 40.24 2nut n ASP 23 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2nut s ASP 29 N 1.16 2.44 0.33 -2.24 1.01 -1.26 -5.26 116.67 112.85 2nut s ASP 29 Ca 0.41 -1.39 0.07 0.00 0.71 0.00 0.00 52.55 52.35 2nut s ASP 29 Cb 0.24 -0.07 0.76 0.00 1.01 0.00 0.00 42.92 44.87 2nut s ASP 29 CO -0.06 -0.62 1.82 0.25 0.21 0.00 0.00 175.17 176.78 2nut h LEU 30 N 2.09 0.74 -0.45 1.23 5.85 -2.00 -2.83 115.31 119.93 2nut h LEU 30 Ca -0.41 0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.46 2nut h LEU 30 Cb 1.25 -0.07 -0.10 0.00 0.37 0.00 0.00 40.66 42.10 2nut h LEU 30 CO 0.70 0.32 -0.36 -0.61 -0.34 0.00 0.00 178.44 178.15 2nut h GLN 31 N 0.75 -0.24 0.40 1.25 -0.00 -2.06 0.59 115.11 115.81 2nut h GLN 31 Ca 0.52 0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 59.17 2nut h GLN 31 Cb 0.81 0.05 0.00 0.00 0.00 0.00 0.00 27.48 28.35 2nut h GLN 31 CO -0.29 -0.16 -0.19 0.37 0.00 0.00 0.00 178.83 178.56 2nut h GLN 32 N -0.25 -0.52 0.00 1.69 4.15 -1.95 -2.99 115.11 115.24 2nut h GLN 32 Ca 0.18 0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.61 2nut h GLN 32 Cb 0.55 0.12 -0.00 0.00 0.21 0.00 0.00 27.48 28.36 2nut h GLN 32 CO -0.59 -0.23 -0.11 1.88 -1.93 0.00 0.00 178.83 177.86 2nut h TYR 33 N -0.79 0.00 0.00 3.99 -1.99 -1.59 -2.14 116.97 114.45 2nut h TYR 33 Ca -0.06 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.55 2nut h TYR 33 Cb 0.53 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.25 2nut h TYR 33 CO 0.00 0.11 -0.58 0.37 -0.00 0.00 0.00 178.16 178.06 2nut h GLN 34 N 0.00 0.00 -0.03 4.88 4.15 -0.84 -1.44 115.11 121.84 2nut h GLN 34 Ca -0.00 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.37 2nut h GLN 34 Cb 0.41 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.10 2nut h GLN 34 CO 0.01 0.58 -0.19 0.66 -1.93 0.00 0.00 178.83 177.96 2nut h SER 35 N 0.00 0.21 -0.80 -0.69 4.64 -1.25 -2.58 113.55 113.08 2nut h SER 35 Ca -0.01 -0.69 0.09 0.00 -0.47 0.00 0.00 61.79 60.72 2nut h SER 35 Cb 1.06 -0.06 -0.05 0.00 -0.31 0.00 0.00 62.40 63.04 2nut h SER 35 CO 0.08 0.87 0.52 1.56 -0.87 0.00 0.00 176.83 178.99 2nut h GLN 36 N -0.43 0.74 -0.52 4.77 4.20 -1.36 0.17 115.11 122.68 2nut h GLN 36 Ca -0.02 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.54 2nut h GLN 36 Cb 0.88 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.47 2nut h GLN 36 CO 0.04 0.49 -0.11 0.00 -0.67 0.00 0.00 178.83 178.58 2nut h ALA 37 N 1.59 0.71 0.00 3.87 0.00 -1.24 -1.20 119.26 123.00 2nut h ALA 37 Ca 0.37 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2nut h ALA 37 Cb 0.41 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2nut h ALA 37 CO -0.14 0.63 -0.01 0.87 0.00 0.00 0.00 179.25 180.60 2nut h LYS 38 N 0.86 0.00 -0.06 0.00 1.57 -0.69 -2.17 116.57 116.08 2nut h LYS 38 Ca 0.13 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.80 2nut h LYS 38 Cb 0.68 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.99 2nut h LYS 38 CO 0.05 0.01 -0.39 1.96 -0.57 0.00 0.00 179.45 180.51 2nut h GLN 39 N 0.00 0.37 0.90 3.15 1.08 -0.11 -2.64 115.11 117.87 2nut h GLN 39 Ca -0.00 -0.32 -0.04 0.00 -1.45 0.00 0.00 58.65 56.84 2nut h GLN 39 Cb 0.60 0.07 0.01 0.00 -0.05 0.00 0.00 27.48 28.11 2nut h GLN 39 CO 0.00 0.97 -0.47 1.25 -0.95 0.00 0.00 178.83 179.63 2nut h LEU 40 N -0.13 -1.13 -0.89 1.46 5.85 -0.99 -1.46 115.31 118.02 2nut h LEU 40 Ca -0.03 0.05 0.24 0.00 0.84 0.00 0.00 57.88 58.97 2nut h LEU 40 Cb 1.06 0.31 -0.15 0.00 0.37 0.00 0.00 40.66 42.25 2nut h LEU 40 CO 0.08 -0.77 0.16 -0.26 -0.34 0.00 0.00 178.44 177.32 2nut h PHE 41 N -1.26 0.21 -0.85 1.25 0.05 -1.49 0.44 116.94 115.30 2nut h PHE 41 Ca -0.12 0.06 -0.03 0.00 3.82 0.00 0.00 57.97 61.69 2nut h PHE 41 Cb 0.98 0.05 -0.04 0.00 2.00 0.00 0.00 35.95 38.94 2nut h PHE 41 CO -0.02 -0.27 0.40 -0.09 -0.18 0.00 0.00 178.31 178.14 2nut h ARG 42 N 0.14 1.22 -0.11 1.51 2.43 -1.21 -3.14 114.38 115.22 2nut h ARG 42 Ca 0.55 -0.18 -0.20 0.00 -0.81 0.00 0.00 59.98 59.34 2nut h ARG 42 Cb 1.12 -0.22 0.01 0.00 -0.42 0.00 0.00 29.97 30.46 2nut h ARG 42 CO -0.72 0.94 -0.71 0.87 -1.51 0.00 0.00 179.97 178.85 2nut h LYS 43 N 1.21 0.67 -6.50 0.20 1.79 0.81 -3.46 116.57 111.28 2nut h LYS 43 Ca 0.29 -0.57 -0.60 0.00 -2.18 0.00 0.00 60.65 57.58 2nut h LYS 43 Cb 0.13 0.13 0.11 0.00 -1.58 0.00 0.00 32.23 31.01 2nut h LYS 43 CO -0.04 1.19 0.19 1.28 -1.08 0.00 0.00 179.45 180.99 2nut n LEU 44 N -4.05 2.00 0.00 2.94 4.77 0.54 -4.99 117.00 118.21 2nut n LEU 44 Ca -0.08 1.18 -0.06 0.00 -0.03 0.00 0.00 56.01 57.01 2nut n LEU 44 Cb 0.71 -1.31 0.01 0.00 -2.33 0.00 0.00 43.42 40.50 2nut n LEU 44 CO 0.51 -1.27 0.26 -0.46 -1.33 0.00 0.00 177.39 175.09 2nut n ASN 45 N 1.24 -1.22 0.19 -1.43 0.23 -1.26 -4.74 115.26 108.27 2nut n ASN 45 Ca 0.09 -2.00 0.10 0.00 -0.53 0.00 0.00 54.58 52.24 2nut n ASN 45 Cb 0.32 2.07 0.53 0.00 -2.08 0.00 0.00 39.78 40.62 2nut n ASN 45 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 2nut h GLU 46 N 0.00 0.00 -0.01 -3.83 9.09 -1.95 -0.26 114.58 117.62 2nut h GLU 46 Ca -0.19 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.22 2nut h GLU 46 Cb 0.73 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.83 2nut h GLU 46 CO 0.24 0.00 -0.58 1.04 0.05 0.00 0.00 179.01 179.76 2nut n GLN 47 N -2.26 0.85 -2.10 1.06 6.02 -1.26 -4.99 117.38 114.71 2nut n GLN 47 Ca -0.01 -0.68 -0.34 0.00 -0.01 0.00 0.00 57.00 55.95 2nut n GLN 47 Cb 0.21 -1.49 0.02 0.00 1.02 0.00 0.00 30.24 30.00 2nut n GLN 47 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2nut s SER 48 N -2.62 5.51 0.34 1.08 0.01 -0.11 -4.98 113.70 112.93 2nut s SER 48 Ca 0.16 2.13 -0.29 0.00 1.31 0.00 0.00 55.95 59.26 2nut s SER 48 Cb 0.18 -2.57 -0.11 0.00 0.21 0.00 0.00 66.02 63.73 2nut s SER 48 CO 0.64 -1.36 1.45 -2.84 0.41 0.00 0.00 173.24 171.54 2nut s PRO 49 N -3.54 4.20 0.00 12.44 0.02 -1.26 -4.89 135.00 141.96 2nut s PRO 49 Ca 0.71 2.45 0.31 0.00 0.02 0.00 0.00 61.00 64.48 2nut s PRO 49 Cb -0.23 -3.02 1.62 0.00 0.02 0.00 0.00 34.50 32.89 2nut s PRO 49 CO 0.32 -0.44 2.08 0.25 -0.33 0.00 0.00 177.00 178.87 2nut n THR 50 N 1.00 0.00 -3.60 0.99 -2.24 -1.26 -4.66 114.28 104.51 2nut n THR 50 Ca 0.02 -0.05 -0.06 0.00 -2.27 0.00 0.00 64.05 61.70 2nut n THR 50 Cb 0.40 -0.29 -0.08 0.00 -2.10 0.00 0.00 70.33 68.26 2nut n THR 50 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2nut s ARG 51 N -2.16 0.39 0.17 -0.78 1.81 -1.26 -1.01 118.95 116.12 2nut s ARG 51 Ca 0.41 1.08 -0.11 0.00 -1.72 0.00 0.00 55.73 55.39 2nut s ARG 51 Cb 0.21 0.38 -0.00 0.00 -0.45 0.00 0.00 34.95 35.10 2nut s ARG 51 CO 0.39 -0.30 0.33 0.00 -0.68 0.00 0.00 175.30 175.05 2nut s THR 53 N -3.95 -0.06 0.06 0.00 2.01 0.12 -2.09 115.64 111.72 2nut s THR 53 Ca 0.16 0.35 0.04 0.00 0.31 0.00 0.00 61.69 62.54 2nut s THR 53 Cb 0.02 -0.16 -0.04 0.00 0.01 0.00 0.00 72.50 72.34 2nut s THR 53 CO -0.00 0.16 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.32 2nut s LEU 54 N 1.86 3.44 -0.22 4.42 1.43 0.67 -1.93 118.68 128.36 2nut s LEU 54 Ca 0.01 -0.13 -0.05 0.00 -1.03 0.00 0.00 54.13 52.94 2nut s LEU 54 Cb -0.12 -2.10 -0.02 0.00 0.03 0.00 0.00 46.19 43.98 2nut s LEU 54 CO -0.03 0.22 -0.01 -1.61 0.23 0.00 0.00 176.35 175.14 2nut s GLU 55 N -2.00 3.49 -0.55 1.70 2.02 0.13 -0.38 118.70 123.10 2nut s GLU 55 Ca 0.23 -0.57 0.06 0.00 0.02 0.00 0.00 54.97 54.71 2nut s GLU 55 Cb -0.12 -3.07 0.32 0.00 0.10 0.00 0.00 34.13 31.36 2nut s GLU 55 CO 0.15 -0.13 0.85 0.00 0.02 0.00 0.00 175.26 176.15 2nut n ALA 56 N 4.64 4.01 -0.58 5.21 0.00 0.15 -2.02 120.51 131.92 2nut n ALA 56 Ca -0.18 -4.45 0.00 0.00 0.00 0.00 0.00 53.44 48.82 2nut n ALA 56 Cb 0.51 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.16 2nut n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nut n GLY 57 N 0.16 2.87 0.00 0.00 0.00 -1.26 -2.11 105.19 104.85 2nut n GLY 57 Ca 0.29 -0.23 0.04 0.00 0.00 0.00 0.00 46.02 46.12 2nut n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nut n ALA 58 N 11.25 1.37 -2.52 4.61 0.00 -1.26 -4.70 120.51 129.25 2nut n ALA 58 Ca 0.00 -0.03 -0.25 0.00 0.00 0.00 0.00 53.44 53.16 2nut n ALA 58 Cb 0.00 -1.13 -0.08 0.00 0.00 0.00 0.00 19.45 18.24 2nut n ALA 58 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2nut s MET 59 N -2.98 2.11 -0.17 0.00 -1.94 -0.90 -1.85 119.30 113.58 2nut s MET 59 Ca 0.04 -1.78 -0.07 0.00 -1.71 0.00 0.00 55.69 52.17 2nut s MET 59 Cb 0.05 -1.93 0.07 0.00 2.01 0.00 0.00 34.83 35.04 2nut s MET 59 CO 0.14 0.07 0.37 0.99 -0.01 0.00 0.00 175.02 176.58 2nut s THR 60 N -2.54 -0.40 0.11 2.05 2.01 -0.44 -0.67 115.64 115.76 2nut s THR 60 Ca 0.36 0.18 -0.17 0.00 0.31 0.00 0.00 61.69 62.37 2nut s THR 60 Cb 0.01 -0.58 -0.07 0.00 0.01 0.00 0.00 72.50 71.87 2nut s THR 60 CO 0.20 0.07 0.57 -0.36 -0.69 0.00 0.00 174.62 174.41 2nut s PHE 61 N 2.18 3.71 -0.05 4.92 0.40 0.49 -3.17 117.98 126.45 2nut s PHE 61 Ca -0.03 1.18 0.00 0.00 -0.60 0.00 0.00 56.93 57.48 2nut s PHE 61 Cb -0.11 -2.44 0.02 0.00 0.51 0.00 0.00 43.02 41.00 2nut s PHE 61 CO -0.11 0.50 -0.03 -1.01 0.70 0.00 0.00 175.22 175.27 2nut s HIS 62 N -1.29 0.67 0.15 0.36 3.76 -0.28 -0.24 115.29 118.42 2nut s HIS 62 Ca 0.34 -0.17 -0.08 0.00 -0.15 0.00 0.00 55.06 54.99 2nut s HIS 62 Cb -0.17 -0.67 -0.01 0.00 1.11 0.00 0.00 32.58 32.83 2nut s HIS 62 CO 0.19 -0.23 0.25 1.52 -0.85 0.00 0.00 174.74 175.62 2nut s TYR 63 N 1.25 0.44 -0.03 1.40 -0.85 -0.89 -0.72 117.35 117.95 2nut s TYR 63 Ca -0.06 -0.81 -0.11 0.00 -0.52 0.00 0.00 57.07 55.58 2nut s TYR 63 Cb -0.14 -0.11 0.02 0.00 0.38 0.00 0.00 41.96 42.11 2nut s TYR 63 CO -0.02 -0.68 0.23 0.96 -1.52 0.00 0.00 175.55 174.52 2nut s ILE 64 N -3.97 0.05 -0.16 -3.49 -5.25 -0.86 -2.15 121.20 105.37 2nut s ILE 64 Ca 0.17 -0.44 0.00 0.00 -0.99 0.00 0.00 60.65 59.39 2nut s ILE 64 Cb 0.04 -0.48 0.00 0.00 2.95 0.00 0.00 42.46 44.97 2nut s ILE 64 CO -0.01 -0.24 -0.16 -0.63 -1.79 0.00 0.00 174.94 172.11 2nut s ILE 65 N -1.00 2.58 -0.05 8.37 1.01 -0.18 -0.89 121.20 131.04 2nut s ILE 65 Ca -0.11 -0.79 -0.02 0.00 0.00 0.00 0.00 60.65 59.73 2nut s ILE 65 Cb -0.05 -2.09 0.04 0.00 0.01 0.00 0.00 42.46 40.37 2nut s ILE 65 CO 0.02 0.52 0.10 -1.61 0.00 0.00 0.00 174.94 173.97 2nut s GLU 66 N 0.90 0.01 -1.37 2.79 0.41 -0.49 -4.87 118.70 116.07 2nut s GLU 66 Ca -0.04 0.38 -0.04 0.00 -0.41 0.00 0.00 54.97 54.86 2nut s GLU 66 Cb -0.15 -0.29 0.02 0.00 -1.78 0.00 0.00 34.13 31.93 2nut s GLU 66 CO -0.02 -0.24 0.81 0.94 -0.49 0.00 0.00 175.26 176.26 2nut n GLN 67 N 4.74 -5.29 -1.44 1.61 -0.06 -1.26 -1.41 117.38 114.28 2nut n GLN 67 Ca -0.16 0.63 -0.15 0.00 -2.00 0.00 0.00 57.00 55.32 2nut n GLN 67 Cb 0.50 -5.32 -0.07 0.00 -4.06 0.00 0.00 30.24 21.30 2nut n GLN 67 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2nut n GLY 68 N -1.61 1.51 3.15 1.69 0.00 -1.26 -4.97 105.19 103.68 2nut n GLY 68 Ca -0.19 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 2nut n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nut s VAL 69 N -2.43 2.02 -0.14 1.61 1.01 -0.50 -0.89 120.40 121.09 2nut s VAL 69 Ca 0.00 -0.94 -0.13 0.00 0.00 0.00 0.00 61.98 60.90 2nut s VAL 69 Cb 0.00 -1.80 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 2nut s VAL 69 CO 0.00 0.54 0.29 0.00 0.00 0.00 0.00 175.10 175.93 2nut s TYR 71 N 0.19 3.50 0.19 0.00 1.51 -0.07 -1.86 117.35 120.81 2nut s TYR 71 Ca 0.17 -2.24 0.06 0.00 -1.01 0.00 0.00 57.07 54.05 2nut s TYR 71 Cb -0.13 -2.92 -0.04 0.00 -0.11 0.00 0.00 41.96 38.76 2nut s TYR 71 CO 0.05 -0.92 0.17 -1.17 -1.11 0.00 0.00 175.55 172.57 2nut s LEU 72 N 1.18 3.84 -0.16 -1.29 2.96 -0.28 -2.03 118.68 122.91 2nut s LEU 72 Ca 0.05 -0.15 -0.18 0.00 -0.22 0.00 0.00 54.13 53.63 2nut s LEU 72 Cb -0.22 -2.43 0.05 0.00 0.50 0.00 0.00 46.19 44.09 2nut s LEU 72 CO -0.03 0.03 0.49 0.54 -1.32 0.00 0.00 176.35 176.05 2nut s VAL 73 N -1.88 0.01 0.17 1.68 0.11 0.11 -2.16 120.40 118.44 2nut s VAL 73 Ca 0.32 -0.05 0.10 0.00 -2.93 0.00 0.00 61.98 59.41 2nut s VAL 73 Cb -0.09 -0.70 -0.04 0.00 -1.53 0.00 0.00 36.38 34.01 2nut s VAL 73 CO 0.24 -0.03 -0.15 -0.22 -3.33 0.00 0.00 175.10 171.62 2nut s LEU 74 N -0.00 2.78 -0.11 2.54 2.96 -0.50 -1.13 118.68 125.22 2nut s LEU 74 Ca -0.02 -0.66 -0.33 0.00 -0.22 0.00 0.00 54.13 52.90 2nut s LEU 74 Cb -0.03 -1.50 0.14 0.00 0.50 0.00 0.00 46.19 45.29 2nut s LEU 74 CO 0.02 0.12 1.34 0.00 -1.32 0.00 0.00 176.35 176.50 2nut s GLU 76 N -2.24 4.27 0.53 0.00 2.02 -1.26 -1.33 118.70 120.68 2nut s GLU 76 Ca 0.13 2.28 0.44 0.00 0.02 0.00 0.00 54.97 57.84 2nut s GLU 76 Cb 0.04 -3.13 1.64 0.00 0.10 0.00 0.00 34.13 32.78 2nut s GLU 76 CO -0.05 -0.45 1.63 0.00 0.02 0.00 0.00 175.26 176.42 2nut h ALA 77 N 5.55 3.51 -0.73 5.21 0.00 -1.60 0.47 119.26 131.66 2nut h ALA 77 Ca -0.45 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 2nut h ALA 77 Cb 1.21 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.12 2nut h ALA 77 CO 0.81 -2.04 0.41 0.00 0.00 0.00 0.00 179.25 178.43 2nut h ALA 78 N 1.20 1.35 -1.71 0.00 0.00 -1.88 -3.44 119.26 114.78 2nut h ALA 78 Ca 0.84 -0.10 -0.68 0.00 0.00 0.00 0.00 54.91 54.97 2nut h ALA 78 Cb 3.25 -0.30 0.04 0.00 0.00 0.00 0.00 17.79 20.78 2nut h ALA 78 CO -0.09 0.54 0.63 0.34 0.00 0.00 0.00 179.25 180.67 2nut n PHE 79 N -4.37 1.75 -1.40 0.00 7.35 0.16 -4.76 117.46 116.19 2nut n PHE 79 Ca 0.07 0.55 -0.52 0.00 -0.76 0.00 0.00 57.45 56.80 2nut n PHE 79 Cb 0.09 -2.40 -0.08 0.00 0.35 0.00 0.00 39.48 37.44 2nut n PHE 79 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 2nut n PRO 80 N 3.51 0.79 -0.35 -7.13 -0.02 -1.26 -4.83 135.00 125.70 2nut n PRO 80 Ca 0.20 0.20 0.13 0.00 -2.02 0.00 0.00 63.50 62.02 2nut n PRO 80 Cb 0.19 -2.23 0.32 0.00 -0.02 0.00 0.00 33.50 31.76 2nut n PRO 80 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2nut h LYS 81 N 11.83 0.70 -1.01 -0.52 3.64 -1.89 -0.53 116.57 128.80 2nut h LYS 81 Ca -0.22 -0.04 0.13 0.00 -1.27 0.00 0.00 60.65 59.25 2nut h LYS 81 Cb 1.34 -0.16 -0.09 0.00 -0.41 0.00 0.00 32.23 32.91 2nut h LYS 81 CO 1.05 0.47 0.63 1.57 -2.27 0.00 0.00 179.45 180.90 2nut h LYS 82 N 0.72 0.93 0.04 1.90 2.10 -2.01 -2.44 116.57 117.82 2nut h LYS 82 Ca 0.58 -0.06 -0.23 0.00 -2.00 0.00 0.00 60.65 58.95 2nut h LYS 82 Cb 0.93 -0.21 -0.01 0.00 -0.90 0.00 0.00 32.23 32.04 2nut h LYS 82 CO -0.40 0.61 -1.03 -0.07 -2.00 0.00 0.00 179.45 176.56 2nut h LEU 83 N 0.95 0.25 -0.59 7.07 3.38 -1.48 -3.12 115.31 121.77 2nut h LEU 83 Ca 0.51 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 58.26 2nut h LEU 83 Cb 0.57 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 2nut h LEU 83 CO -0.29 1.13 0.37 0.00 0.09 0.00 0.00 178.44 179.74 2nut h ALA 84 N 0.84 0.76 -0.16 1.53 0.00 -1.08 0.53 119.26 121.69 2nut h ALA 84 Ca -0.07 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 2nut h ALA 84 Cb 1.73 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 2nut h ALA 84 CO 0.16 0.12 -0.58 0.74 0.00 0.00 0.00 179.25 179.69 2nut h PHE 85 N 0.74 0.66 -0.58 0.00 -1.00 -1.62 -1.17 116.94 113.97 2nut h PHE 85 Ca 0.23 -0.24 -0.05 0.00 2.81 0.00 0.00 57.97 60.72 2nut h PHE 85 Cb -0.01 -0.12 -0.03 0.00 3.61 0.00 0.00 35.95 39.40 2nut h PHE 85 CO -0.05 0.97 0.15 0.00 -1.61 0.00 0.00 178.31 177.77 2nut h ALA 86 N 0.98 1.17 -0.45 2.45 0.00 -1.41 0.47 119.26 122.47 2nut h ALA 86 Ca 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 2nut h ALA 86 Cb 1.12 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 2nut h ALA 86 CO 0.11 0.57 0.16 -0.92 0.00 0.00 0.00 179.25 179.16 2nut h TYR 87 N 0.86 0.71 -0.70 0.00 3.20 -0.64 -2.39 116.97 118.02 2nut h TYR 87 Ca 0.19 -0.06 -0.07 0.00 3.14 0.00 0.00 58.73 61.92 2nut h TYR 87 Cb 0.30 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 2nut h TYR 87 CO 0.02 0.63 0.16 -0.07 -1.64 0.00 0.00 178.16 177.26 2nut h LEU 88 N 0.59 1.07 -0.88 2.82 3.38 -0.55 -2.83 115.31 118.90 2nut h LEU 88 Ca 0.15 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 2nut h LEU 88 Cb 0.24 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 2nut h LEU 88 CO -0.01 1.02 0.42 -0.33 0.09 0.00 0.00 178.44 179.63 2nut h GLU 89 N 1.06 1.22 -0.66 1.13 4.39 -0.72 -1.48 114.58 119.51 2nut h GLU 89 Ca 0.22 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 2nut h GLU 89 Cb 0.38 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 28.78 2nut h GLU 89 CO 0.00 0.93 0.32 -0.44 -1.16 0.00 0.00 179.01 178.66 2nut h ASP 90 N 1.21 0.87 -0.06 1.42 5.19 -1.24 -2.51 116.42 121.30 2nut h ASP 90 Ca 0.29 -0.13 -0.01 0.00 -0.62 0.00 0.00 57.03 56.56 2nut h ASP 90 Cb 0.11 -0.22 -0.00 0.00 0.18 0.00 0.00 39.33 39.39 2nut h ASP 90 CO -0.04 0.76 0.01 -0.07 -3.12 0.00 0.00 179.24 176.78 2nut h LEU 91 N 0.92 0.10 0.01 1.55 3.38 -1.25 -3.02 115.31 117.00 2nut h LEU 91 Ca 0.23 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.97 2nut h LEU 91 Cb 0.12 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2nut h LEU 91 CO -0.03 0.31 -0.29 -0.74 0.09 0.00 0.00 178.44 177.79 2nut h HIS 92 N -0.12 -0.84 -0.86 1.13 2.76 -1.14 0.30 115.15 116.37 2nut h HIS 92 Ca 0.02 0.03 0.21 0.00 -2.20 0.00 0.00 60.37 58.43 2nut h HIS 92 Cb 0.25 0.37 -0.13 0.00 1.55 0.00 0.00 27.41 29.46 2nut h HIS 92 CO 0.01 -0.31 0.32 0.66 -1.30 0.00 0.00 177.93 177.31 2nut h SER 93 N -0.37 0.21 -0.04 3.26 4.64 -1.54 0.31 113.55 120.02 2nut h SER 93 Ca 0.00 0.16 -0.01 0.00 -0.47 0.00 0.00 61.79 61.47 2nut h SER 93 Cb 0.39 0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.65 2nut h SER 93 CO -0.19 -0.04 -0.02 -0.08 -0.87 0.00 0.00 176.83 175.64 2nut h GLU 94 N 0.34 0.09 -0.03 4.77 4.57 -1.32 -2.15 114.58 120.85 2nut h GLU 94 Ca 0.53 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.67 2nut h GLU 94 Cb 1.01 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.59 2nut h GLU 94 CO -0.55 0.46 0.02 0.35 -1.18 0.00 0.00 179.01 178.11 2nut h PHE 95 N -0.29 0.04 -0.84 0.92 3.57 0.91 -0.96 116.94 120.30 2nut h PHE 95 Ca 0.01 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2nut h PHE 95 Cb 0.43 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.12 2nut h PHE 95 CO 0.06 0.13 0.52 0.22 -2.23 0.00 0.00 178.31 177.02 2nut h ASP 96 N -0.06 0.98 -0.47 0.41 3.58 -0.52 0.35 116.42 120.69 2nut h ASP 96 Ca 0.01 -0.04 -0.06 0.00 0.42 0.00 0.00 57.03 57.35 2nut h ASP 96 Cb 0.10 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.89 2nut h ASP 96 CO -0.00 0.74 0.05 -0.08 -2.88 0.00 0.00 179.24 177.07 2nut h GLU 97 N 1.14 0.80 0.04 0.28 4.81 -1.20 0.13 114.58 120.58 2nut h GLU 97 Ca 0.30 -0.23 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 2nut h GLU 97 Cb -0.08 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.22 2nut h GLU 97 CO -0.06 0.82 -0.21 1.96 -0.73 0.00 0.00 179.01 180.79 2nut h GLN 98 N 0.66 0.08 0.00 1.92 1.08 -0.70 -3.42 115.11 114.73 2nut h GLN 98 Ca 0.14 -0.13 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 2nut h GLN 98 Cb 0.43 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 2nut h GLN 98 CO 0.01 1.06 0.00 0.72 -0.95 0.00 0.00 178.83 179.67 2nut n HIS 99 N -4.49 0.00 -0.46 2.96 8.25 0.12 -4.83 115.22 116.77 2nut n HIS 99 Ca -0.11 -0.14 0.40 0.00 -0.26 0.00 0.00 57.72 57.61 2nut n HIS 99 Cb 0.57 -0.01 0.73 0.00 1.12 0.00 0.00 29.99 32.40 2nut n HIS 99 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2nut h GLY 100 N 0.00 0.34 0.82 -1.41 0.00 -0.22 0.87 103.07 103.47 2nut h GLY 100 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.29 2nut h GLY 100 CO 0.00 -0.08 -0.68 0.28 0.00 0.00 0.00 176.54 176.06 2nut n LYS 101 N -4.24 0.10 -0.00 4.80 4.76 -1.26 -4.13 118.16 118.19 2nut n LYS 101 Ca 0.33 0.01 0.11 0.00 -2.87 0.00 0.00 58.31 55.89 2nut n LYS 101 Cb 1.48 -1.54 -0.15 0.00 -1.84 0.00 0.00 35.03 32.98 2nut n LYS 101 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2nut n LYS 102 N -1.67 0.62 -0.26 1.97 4.81 0.26 -4.59 118.16 119.30 2nut n LYS 102 Ca 0.04 -0.16 0.02 0.00 -0.87 0.00 0.00 58.31 57.34 2nut n LYS 102 Cb 0.37 -1.54 0.10 0.00 0.02 0.00 0.00 35.03 33.98 2nut n LYS 102 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2nut h VAL 103 N 0.00 0.25 0.00 3.15 2.07 -1.61 -1.10 116.25 119.01 2nut h VAL 103 Ca 0.00 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2nut h VAL 103 Cb 0.97 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2nut h VAL 103 CO 0.00 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 176.78 2nut n PRO 104 N -5.48 0.37 -0.10 1.57 -0.04 -1.26 -3.54 135.00 126.52 2nut n PRO 104 Ca 0.11 0.06 -0.13 0.00 -0.04 0.00 0.00 63.50 63.51 2nut n PRO 104 Cb 0.40 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.26 2nut n PRO 104 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2nut n THR 105 N -1.13 1.16 -0.59 0.52 -2.24 -0.42 -5.03 114.28 106.55 2nut n THR 105 Ca 0.10 -0.50 -0.31 0.00 -2.27 0.00 0.00 64.05 61.07 2nut n THR 105 Cb 0.08 -1.08 0.21 0.00 -2.10 0.00 0.00 70.33 67.44 2nut n THR 105 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2nut n VAL 106 N -2.99 0.00 -0.14 2.28 0.24 -1.18 -4.98 118.33 111.57 2nut n VAL 106 Ca -0.34 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.59 2nut n VAL 106 Cb 0.92 -0.74 0.00 0.00 -1.47 0.00 0.00 33.84 32.55 2nut n VAL 106 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2nut n SER 107 N -2.87 0.00 -4.82 -1.34 3.41 -1.26 -5.09 113.62 101.66 2nut n SER 107 Ca 0.01 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.26 2nut n SER 107 Cb 0.60 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.49 2nut n SER 107 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2nut s ARG 108 N 0.00 4.25 0.66 4.33 0.52 -1.26 -5.04 118.95 122.41 2nut s ARG 108 Ca 0.00 0.87 -0.16 0.00 -0.52 0.00 0.00 55.73 55.91 2nut s ARG 108 Cb 0.00 -2.87 0.00 0.00 0.52 0.00 0.00 34.95 32.60 2nut s ARG 108 CO 0.00 0.39 1.18 -2.14 0.02 0.00 0.00 175.30 174.75 2nut s PRO 109 N -1.99 2.60 -1.76 3.54 0.02 -1.26 -3.31 135.00 132.84 2nut s PRO 109 Ca 0.43 1.68 -0.20 0.00 0.02 0.00 0.00 61.00 62.93 2nut s PRO 109 Cb -0.17 -1.90 0.18 0.00 0.02 0.00 0.00 34.50 32.64 2nut s PRO 109 CO 0.21 -1.46 0.69 0.66 -0.33 0.00 0.00 177.00 176.77 2nut n TYR 110 N -2.25 -1.51 0.19 6.54 4.02 0.86 -4.81 117.16 120.20 2nut n TYR 110 Ca 0.13 0.75 0.02 0.00 -0.01 0.00 0.00 57.90 58.79 2nut n TYR 110 Cb 0.51 -2.57 0.11 0.00 -0.02 0.00 0.00 39.34 37.37 2nut n TYR 110 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2nut n SER 111 N -2.60 0.00 -2.29 7.72 7.64 -1.21 -1.83 113.62 121.04 2nut n SER 111 Ca 0.07 0.34 -0.18 0.00 1.01 0.00 0.00 58.87 60.11 2nut n SER 111 Cb 0.49 -0.38 0.03 0.00 -1.01 0.00 0.00 64.21 63.34 2nut n SER 111 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2nut n PHE 112 N -1.38 2.37 -0.16 1.43 3.01 -0.84 -4.83 117.46 117.06 2nut n PHE 112 Ca 0.02 -2.30 0.11 0.00 1.01 0.00 0.00 57.45 56.29 2nut n PHE 112 Cb 0.04 -0.29 0.44 0.00 -0.01 0.00 0.00 39.48 39.67 2nut n PHE 112 CO 0.00 0.00 0.00 -0.84 1.01 0.00 0.00 176.76 176.93 2nut h ILE 113 N 3.13 0.90 0.00 4.37 -2.65 -1.44 -0.95 117.51 120.87 2nut h ILE 113 Ca 0.22 -0.19 0.00 0.00 1.03 0.00 0.00 64.86 65.92 2nut h ILE 113 Cb 1.40 0.30 0.00 0.00 -2.05 0.00 0.00 36.82 36.48 2nut h ILE 113 CO 0.61 0.10 0.14 -0.33 0.03 0.00 0.00 178.15 178.70 2nut h GLU 114 N 0.55 0.00 0.00 0.16 5.08 -1.88 0.46 114.58 118.95 2nut h GLU 114 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 2nut h GLU 114 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2nut h GLU 114 CO -0.11 0.00 0.00 0.34 -1.00 0.00 0.00 179.01 178.24 2nut n PHE 115 N -2.80 0.00 -0.22 4.33 7.35 -0.36 -2.89 117.46 122.87 2nut n PHE 115 Ca -0.02 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.68 2nut n PHE 115 Cb 0.20 -0.11 0.13 0.00 0.35 0.00 0.00 39.48 40.04 2nut n PHE 115 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 2nut h ASP 116 N 0.00 0.26 0.82 -2.13 3.58 -0.26 -2.73 116.42 115.96 2nut h ASP 116 Ca 0.00 0.08 -0.04 0.00 0.42 0.00 0.00 57.03 57.50 2nut h ASP 116 Cb 0.05 0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.15 2nut h ASP 116 CO 0.00 0.14 -0.47 0.74 -2.88 0.00 0.00 179.24 176.78 2nut h THR 117 N 0.44 0.06 -0.65 2.25 2.02 -1.78 -2.77 112.91 112.49 2nut h THR 117 Ca 0.33 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.64 2nut h THR 117 Cb 0.42 0.06 -0.09 0.00 -1.74 0.00 0.00 68.15 66.80 2nut h THR 117 CO -0.32 0.00 0.16 0.15 0.37 0.00 0.00 175.52 175.88 2nut h PHE 118 N -1.19 0.26 -0.30 3.16 3.57 -1.79 -1.38 116.94 119.27 2nut h PHE 118 Ca -0.11 0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.50 2nut h PHE 118 Cb 0.94 -0.02 -0.08 0.00 2.79 0.00 0.00 35.95 39.59 2nut h PHE 118 CO -0.08 -0.02 -0.30 0.82 -2.23 0.00 0.00 178.31 176.50 2nut h ILE 119 N 0.29 0.29 0.00 1.41 2.04 -1.37 -1.15 117.51 119.03 2nut h ILE 119 Ca 0.35 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 66.12 2nut h ILE 119 Cb 0.53 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 2nut h ILE 119 CO -0.42 0.00 -0.39 1.56 0.00 0.00 0.00 178.15 178.90 2nut h GLN 120 N -0.28 0.00 0.00 2.37 4.20 -1.08 0.28 115.11 120.60 2nut h GLN 120 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 2nut h GLN 120 Cb 0.52 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.30 2nut h GLN 120 CO -0.46 0.39 -0.05 0.36 -0.67 0.00 0.00 178.83 178.41 2nut n LYS 121 N -3.84 0.02 -0.12 1.46 2.85 -0.59 -2.85 118.16 115.10 2nut n LYS 121 Ca -0.01 0.02 -0.14 0.00 -1.05 0.00 0.00 58.31 57.12 2nut n LYS 121 Cb 0.45 -1.52 -0.14 0.00 -0.65 0.00 0.00 35.03 33.17 2nut n LYS 121 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 2nut n THR 122 N -1.56 1.45 -0.26 0.58 -1.04 -0.49 -4.33 114.28 108.63 2nut n THR 122 Ca 0.07 -0.70 -0.04 0.00 -2.04 0.00 0.00 64.05 61.34 2nut n THR 122 Cb 0.35 -1.00 0.07 0.00 -1.82 0.00 0.00 70.33 67.93 2nut n THR 122 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2nut h LYS 123 N 0.00 0.88 0.00 -2.82 3.64 -0.44 -2.51 116.57 115.33 2nut h LYS 123 Ca -0.56 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 58.72 2nut h LYS 123 Cb 2.05 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 33.67 2nut h LYS 123 CO -0.04 0.58 -0.22 0.87 -2.27 0.00 0.00 179.45 178.38 2nut h LYS 124 N 0.91 0.00 0.00 1.90 1.57 -1.73 -1.95 116.57 117.26 2nut h LYS 124 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 2nut h LYS 124 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.28 2nut h LYS 124 CO -0.09 0.22 0.00 1.28 -0.57 0.00 0.00 179.45 180.29 2nut n LEU 125 N -3.72 0.00 0.00 2.94 4.77 -0.95 -3.28 117.00 116.76 2nut n LEU 125 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2nut n LEU 125 Cb 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2nut n LEU 125 CO 0.33 0.00 -0.42 -1.22 -1.33 0.00 0.00 177.39 174.75 2nut n TYR 126 N -0.93 0.00 -1.53 -1.77 4.02 -0.78 -4.75 117.16 111.41 2nut n TYR 126 Ca 0.15 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.70 2nut n TYR 126 Cb 0.07 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.44 2nut n TYR 126 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 2nut n ILE 127 N -1.55 3.51 -3.16 -0.72 -0.00 -0.92 -4.70 119.36 111.83 2nut n ILE 127 Ca 0.00 -3.35 0.03 0.00 -0.00 0.00 0.00 62.75 59.44 2nut n ILE 127 Cb 0.24 -1.25 -0.00 0.00 -0.00 0.00 0.00 39.64 38.63 2nut n ILE 127 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 2nut s ASP 128 N -1.13 -1.51 0.63 4.38 -1.08 -1.26 -4.99 116.67 111.71 2nut s ASP 128 Ca 0.56 -0.07 0.23 0.00 -0.52 0.00 0.00 52.55 52.75 2nut s ASP 128 Cb 0.45 1.94 1.11 0.00 -1.46 0.00 0.00 42.92 44.96 2nut s ASP 128 CO -0.19 -0.25 1.60 0.77 0.52 0.00 0.00 175.17 177.63 2nut h SER 129 N 7.65 0.00 -0.72 -0.34 4.64 -1.94 -3.49 113.55 119.35 2nut h SER 129 Ca -0.00 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.86 2nut h SER 129 Cb 1.19 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.07 2nut h SER 129 CO 0.12 0.00 0.59 -2.11 -0.87 0.00 0.00 176.83 174.56 2nut n ARG 130 N -3.12 2.12 0.00 4.77 1.85 -1.26 -5.19 116.66 115.83 2nut n ARG 130 Ca 0.06 -2.30 0.00 0.00 -1.00 0.00 0.00 57.85 54.61 2nut n ARG 130 Cb 0.82 -1.90 0.00 0.00 -1.05 0.00 0.00 32.46 30.33 2nut n ARG 130 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 2nut n ILE 148 N -0.36 0.00 -3.55 8.89 -0.00 -1.25 -5.17 119.36 117.92 2nut n ILE 148 Ca 0.45 0.00 -0.17 0.00 -0.00 0.00 0.00 62.75 63.03 2nut n ILE 148 Cb 0.82 0.00 -0.06 0.00 -0.00 0.00 0.00 39.64 40.40 2nut n ILE 148 CO 0.00 0.00 0.00 -0.32 -0.00 0.00 0.00 176.55 176.23 2nut s MET 149 N -2.15 1.02 -0.05 0.38 1.75 -1.21 -4.93 119.30 114.10 2nut s MET 149 Ca 0.00 0.13 0.06 0.00 -1.25 0.00 0.00 55.69 54.63 2nut s MET 149 Cb 0.00 0.47 -0.01 0.00 2.84 0.00 0.00 34.83 38.13 2nut s MET 149 CO 0.00 -0.32 -0.25 0.08 -0.65 0.00 0.00 175.02 173.88 2nut s VAL 150 N -1.43 2.03 -0.08 10.11 1.01 -1.26 0.10 120.40 130.89 2nut s VAL 150 Ca -0.10 -1.06 -0.30 0.00 0.00 0.00 0.00 61.98 60.51 2nut s VAL 150 Cb -0.01 -1.71 0.08 0.00 0.00 0.00 0.00 36.38 34.73 2nut s VAL 150 CO 0.07 0.57 0.72 0.00 0.00 0.00 0.00 175.10 176.46 2nut s ALA 151 N -0.23 -1.79 -0.32 5.51 0.00 -0.81 -5.00 121.76 119.12 2nut s ALA 151 Ca -0.01 1.40 -0.29 0.00 0.00 0.00 0.00 51.96 53.06 2nut s ALA 151 Cb -0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 2nut s ALA 151 CO 0.03 -0.36 1.54 1.21 0.00 0.00 0.00 175.76 178.18 2nut s ASN 152 N -1.06 6.30 0.41 0.00 3.04 -1.26 -0.69 114.94 121.68 2nut s ASN 152 Ca -0.09 1.23 0.24 0.00 0.04 0.00 0.00 52.86 54.28 2nut s ASN 152 Cb -0.00 -2.53 1.29 0.00 -1.54 0.00 0.00 41.25 38.46 2nut s ASN 152 CO 0.08 -1.39 1.66 -0.29 -3.04 0.00 0.00 177.10 174.13 2nut h ILE 153 N 6.37 0.24 -0.68 -5.21 6.09 -1.71 0.72 117.51 123.32 2nut h ILE 153 Ca -0.30 -0.06 0.20 0.00 -1.37 0.00 0.00 64.86 63.32 2nut h ILE 153 Cb 1.13 0.03 -0.03 0.00 0.47 0.00 0.00 36.82 38.42 2nut h ILE 153 CO 1.04 0.03 0.58 -0.33 -3.07 0.00 0.00 178.15 176.40 2nut h GLU 154 N 0.19 0.00 0.01 2.19 4.39 -1.89 -2.37 114.58 117.10 2nut h GLU 154 Ca 0.76 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.46 2nut h GLU 154 Cb 2.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.82 2nut h GLU 154 CO -0.44 0.00 -0.01 1.49 -1.16 0.00 0.00 179.01 178.89 2nut h GLU 155 N 0.00 -0.02 -1.12 2.33 4.81 0.08 -3.31 114.58 117.35 2nut h GLU 155 Ca 0.32 0.00 0.40 0.00 -0.13 0.00 0.00 59.36 59.96 2nut h GLU 155 Cb 1.48 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.71 2nut h GLU 155 CO -0.00 -0.01 0.67 0.28 -0.73 0.00 0.00 179.01 179.21 2nut h VAL 156 N -0.04 0.11 0.00 0.32 2.07 -1.59 -3.52 116.25 113.61 2nut h VAL 156 Ca -0.00 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2nut h VAL 156 Cb 0.01 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.78 2nut h VAL 156 CO 0.00 0.02 0.00 0.18 0.02 0.00 0.00 177.57 177.79