#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nlu n SER 2 N 0.00 0.29 -3.50 6.12 2.88 -1.26 -5.04 113.62 113.12 2nlu n SER 2 Ca 0.00 -1.08 -0.08 0.00 -1.33 0.00 0.00 58.87 56.38 2nlu n SER 2 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 2nlu n SER 2 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2nlu s ARG 3 N -0.08 0.35 -0.18 -1.46 6.06 -1.26 -5.12 118.95 117.26 2nlu s ARG 3 Ca 0.00 0.82 -0.01 0.00 -2.50 0.00 0.00 55.73 54.04 2nlu s ARG 3 Cb 0.00 -0.00 0.05 0.00 0.06 0.00 0.00 34.95 35.05 2nlu s ARG 3 CO 0.00 -0.44 -0.03 0.45 -2.50 0.00 0.00 175.30 172.78 2nlu s SER 4 N 2.60 2.92 -0.02 -2.12 0.15 -1.26 -5.11 113.70 110.87 2nlu s SER 4 Ca 0.06 -0.74 -0.30 0.00 0.70 0.00 0.00 55.95 55.66 2nlu s SER 4 Cb -0.14 -0.84 -0.06 0.00 -1.71 0.00 0.00 66.02 63.27 2nlu s SER 4 CO -0.15 -0.22 1.63 0.20 1.20 0.00 0.00 173.24 175.90 2nlu s ASN 5 N 1.68 6.67 0.74 5.45 0.01 -1.26 -5.00 114.94 123.23 2nlu s ASN 5 Ca -0.00 2.28 -0.07 0.00 -0.71 0.00 0.00 52.86 54.35 2nlu s ASN 5 Cb -0.16 -2.54 0.08 0.00 0.41 0.00 0.00 41.25 39.04 2nlu s ASN 5 CO -0.07 -0.89 1.05 -0.13 -1.51 0.00 0.00 177.10 175.54 2nlu s ARG 6 N 3.56 1.96 0.41 -0.60 0.52 -1.26 -5.11 118.95 118.44 2nlu s ARG 6 Ca 0.73 -0.35 0.06 0.00 -0.52 0.00 0.00 55.73 55.64 2nlu s ARG 6 Cb -0.35 -2.15 -0.07 0.00 0.52 0.00 0.00 34.95 32.91 2nlu s ARG 6 CO 0.30 -1.40 0.02 1.14 0.02 0.00 0.00 175.30 175.38 2nlu s GLN 7 N -5.31 1.95 -0.60 3.54 -2.07 -1.26 -5.09 119.66 110.81 2nlu s GLN 7 Ca 0.62 -2.13 -0.16 0.00 -1.82 0.00 0.00 55.36 51.88 2nlu s GLN 7 Cb -0.09 -1.47 0.15 0.00 -1.09 0.00 0.00 33.01 30.50 2nlu s GLN 7 CO 0.46 -0.13 0.55 0.15 -1.32 0.00 0.00 175.29 175.00 2nlu s LYS 8 N -3.76 3.11 -0.00 9.60 -0.14 -1.26 -5.05 119.74 122.23 2nlu s LYS 8 Ca 0.30 -1.86 -0.02 0.00 -1.36 0.00 0.00 55.97 53.04 2nlu s LYS 8 Cb 0.08 -4.32 -0.04 0.00 -1.68 0.00 0.00 37.83 31.87 2nlu s LYS 8 CO 0.15 -1.32 0.18 -1.83 -0.76 0.00 0.00 175.35 171.77 2nlu s GLU 9 N 1.32 3.42 0.41 1.68 -1.05 -1.26 -5.07 118.70 118.15 2nlu s GLU 9 Ca 0.06 -0.34 -0.25 0.00 -0.15 0.00 0.00 54.97 54.29 2nlu s GLU 9 Cb -0.26 -3.08 -0.08 0.00 -0.44 0.00 0.00 34.13 30.27 2nlu s GLU 9 CO 0.01 0.67 1.16 0.71 0.95 0.00 0.00 175.26 178.76 2nlu s TYR 10 N -1.34 3.04 -0.19 4.83 1.51 -1.26 -5.02 117.35 118.92 2nlu s TYR 10 Ca 0.28 1.55 0.01 0.00 -1.01 0.00 0.00 57.07 57.91 2nlu s TYR 10 Cb -0.13 -3.38 0.03 0.00 -0.11 0.00 0.00 41.96 38.38 2nlu s TYR 10 CO 0.19 -1.32 -0.17 0.15 -1.11 0.00 0.00 175.55 173.29 2nlu s LYS 11 N -2.39 2.75 -0.52 -0.62 1.02 -1.26 -5.06 119.74 113.66 2nlu s LYS 11 Ca 0.58 -0.90 -0.39 0.00 0.02 0.00 0.00 55.97 55.29 2nlu s LYS 11 Cb -0.30 -2.58 -0.16 0.00 -0.52 0.00 0.00 37.83 34.27 2nlu s LYS 11 CO 0.37 -0.28 2.25 0.00 -0.92 0.00 0.00 175.35 176.76 2nlu n GLY 13 N 6.99 1.31 3.77 0.00 0.00 -0.42 -4.97 105.19 111.88 2nlu n GLY 13 Ca 0.51 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.12 2nlu n GLY 13 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2nlu s ASP 14 N -0.58 6.35 -0.04 1.61 1.01 0.22 -4.78 116.67 120.46 2nlu s ASP 14 Ca 0.00 3.03 -0.01 0.00 0.71 0.00 0.00 52.55 56.27 2nlu s ASP 14 Cb 0.00 -2.66 -0.04 0.00 1.01 0.00 0.00 42.92 41.23 2nlu s ASP 14 CO 0.00 -0.89 0.06 -0.22 0.21 0.00 0.00 175.17 174.33 2nlu s LEU 15 N -1.65 3.82 0.09 1.23 1.98 -1.26 -0.95 118.68 121.94 2nlu s LEU 15 Ca 0.56 0.17 -0.26 0.00 -2.89 0.00 0.00 54.13 51.71 2nlu s LEU 15 Cb -0.47 -2.09 0.07 0.00 0.66 0.00 0.00 46.19 44.37 2nlu s LEU 15 CO 0.59 0.32 0.65 0.54 -1.89 0.00 0.00 176.35 176.56 2nlu s VAL 16 N -1.07 0.00 -0.36 1.68 0.11 -0.89 -4.98 120.40 114.89 2nlu s VAL 16 Ca 0.19 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 58.98 2nlu s VAL 16 Cb -0.12 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.75 2nlu s VAL 16 CO 0.09 0.00 0.91 -0.36 -3.33 0.00 0.00 175.10 172.41 2nlu s PHE 17 N -3.03 3.10 -0.13 1.54 0.08 -1.26 -0.84 117.98 117.44 2nlu s PHE 17 Ca -0.02 0.78 -0.17 0.00 0.12 0.00 0.00 56.93 57.65 2nlu s PHE 17 Cb -0.01 -3.58 -0.04 0.00 -0.57 0.00 0.00 43.02 38.81 2nlu s PHE 17 CO -0.07 -0.79 0.43 0.00 -0.10 0.00 0.00 175.22 174.70 2nlu s ALA 18 N 3.40 3.51 -0.71 5.36 0.00 0.78 -4.75 121.76 129.34 2nlu s ALA 18 Ca 0.37 -0.25 -0.13 0.00 0.00 0.00 0.00 51.96 51.95 2nlu s ALA 18 Cb -0.12 -2.58 0.18 0.00 0.00 0.00 0.00 23.12 20.60 2nlu s ALA 18 CO 0.18 0.03 0.63 0.21 0.00 0.00 0.00 175.76 176.81 2nlu s LYS 19 N 0.56 3.26 0.02 0.00 2.20 -1.26 -0.20 119.74 124.32 2nlu s LYS 19 Ca 0.24 -2.23 0.02 0.00 -0.36 0.00 0.00 55.97 53.64 2nlu s LYS 19 Cb -0.15 -4.29 -0.04 0.00 -1.51 0.00 0.00 37.83 31.85 2nlu s LYS 19 CO 0.09 -1.28 0.02 1.41 -0.36 0.00 0.00 175.35 175.23 2nlu s MET 20 N 0.59 2.81 -0.09 4.03 1.75 -0.88 -4.94 119.30 122.57 2nlu s MET 20 Ca 0.13 -0.63 -0.29 0.00 -1.25 0.00 0.00 55.69 53.65 2nlu s MET 20 Cb -0.17 -2.69 -0.06 0.00 2.84 0.00 0.00 34.83 34.74 2nlu s MET 20 CO -0.05 0.61 1.94 0.21 -0.65 0.00 0.00 175.02 177.08 2nlu s LYS 21 N -1.79 3.79 0.00 4.11 2.20 -1.26 0.10 119.74 126.89 2nlu s LYS 21 Ca 0.22 2.22 0.00 0.00 -0.36 0.00 0.00 55.97 58.05 2nlu s LYS 21 Cb -0.12 -4.18 0.00 0.00 -1.51 0.00 0.00 37.83 32.02 2nlu s LYS 21 CO 0.13 -1.33 0.00 0.41 -0.36 0.00 0.00 175.35 174.20 2nlu n GLY 22 N 4.87 2.86 2.71 5.54 0.00 -1.26 -5.01 105.19 114.90 2nlu n GLY 22 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 2nlu n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2nlu s TYR 23 N -2.51 2.05 -0.94 1.61 2.02 0.11 -5.07 117.35 114.62 2nlu s TYR 23 Ca 0.00 -2.48 -0.24 0.00 -0.37 0.00 0.00 57.07 53.97 2nlu s TYR 23 Cb 0.00 -1.90 -0.02 0.00 -0.40 0.00 0.00 41.96 39.63 2nlu s TYR 23 CO 0.00 -0.77 1.83 -1.25 -1.57 0.00 0.00 175.55 173.79 2nlu s PRO 24 N 0.23 2.81 -0.72 -1.71 0.04 -1.25 -2.07 135.00 132.32 2nlu s PRO 24 Ca 0.19 -0.51 -0.03 0.00 0.04 0.00 0.00 61.00 60.69 2nlu s PRO 24 Cb -0.22 -5.14 -0.03 0.00 0.04 0.00 0.00 34.50 29.15 2nlu s PRO 24 CO -0.02 -3.10 0.65 0.72 0.04 0.00 0.00 177.00 175.29 2nlu n HIS 25 N 12.74 -2.14 -3.77 0.56 8.25 -1.16 -5.00 115.22 124.70 2nlu n HIS 25 Ca 0.39 0.78 -0.35 0.00 -0.26 0.00 0.00 57.72 58.27 2nlu n HIS 25 Cb 0.48 -3.69 -0.08 0.00 1.12 0.00 0.00 29.99 27.82 2nlu n HIS 25 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 2nlu s TRP 26 N -3.17 3.43 -0.21 4.41 -0.11 0.73 -4.67 118.94 119.35 2nlu s TRP 26 Ca 0.20 0.35 -0.34 0.00 1.22 0.00 0.00 56.10 57.53 2nlu s TRP 26 Cb -0.03 -2.12 -0.10 0.00 -1.50 0.00 0.00 33.47 29.72 2nlu s TRP 26 CO 0.59 0.36 2.06 -0.35 -4.62 0.00 0.00 176.95 174.98 2nlu n PRO 27 N 3.26 1.71 -4.00 5.86 -0.04 -1.26 -0.16 135.00 140.38 2nlu n PRO 27 Ca -0.17 0.55 -0.09 0.00 -0.04 0.00 0.00 63.50 63.76 2nlu n PRO 27 Cb 0.53 -2.69 -0.11 0.00 -0.04 0.00 0.00 33.50 31.19 2nlu n PRO 27 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2nlu s ALA 28 N 6.08 0.18 -0.03 0.55 0.00 -0.02 -4.89 121.76 123.63 2nlu s ALA 28 Ca 1.01 -0.66 -0.09 0.00 0.00 0.00 0.00 51.96 52.22 2nlu s ALA 28 Cb -0.69 0.15 -0.05 0.00 0.00 0.00 0.00 23.12 22.54 2nlu s ALA 28 CO 0.48 -0.17 0.27 0.50 0.00 0.00 0.00 175.76 176.84 2nlu s ARG 29 N -1.69 3.62 0.17 0.00 3.52 -1.26 -2.09 118.95 121.22 2nlu s ARG 29 Ca -0.13 0.03 -0.29 0.00 -0.13 0.00 0.00 55.73 55.20 2nlu s ARG 29 Cb -0.08 -3.13 -0.07 0.00 -1.56 0.00 0.00 34.95 30.10 2nlu s ARG 29 CO -0.02 0.69 0.92 -1.50 -0.81 0.00 0.00 175.30 174.58 2nlu s ILE 30 N -1.18 4.31 0.02 4.11 -1.16 -0.13 -4.98 121.20 122.19 2nlu s ILE 30 Ca 0.24 2.01 -0.03 0.00 -0.51 0.00 0.00 60.65 62.36 2nlu s ILE 30 Cb -0.14 -4.29 -0.02 0.00 0.61 0.00 0.00 42.46 38.63 2nlu s ILE 30 CO 0.12 0.43 0.03 -0.62 -2.81 0.00 0.00 174.94 172.09 2nlu s ASP 31 N -0.66 0.21 -0.12 4.50 2.15 -1.26 -1.30 116.67 120.18 2nlu s ASP 31 Ca 0.42 -0.50 -0.10 0.00 0.43 0.00 0.00 52.55 52.80 2nlu s ASP 31 Cb -0.24 0.16 0.04 0.00 -0.30 0.00 0.00 42.92 42.57 2nlu s ASP 31 CO 0.30 -0.39 0.31 -0.70 -0.17 0.00 0.00 175.17 174.52 2nlu s GLU 32 N -1.96 0.34 -0.29 4.34 2.12 -1.26 -4.93 118.70 117.06 2nlu s GLU 32 Ca -0.11 0.49 -0.03 0.00 0.36 0.00 0.00 54.97 55.68 2nlu s GLU 32 Cb -0.06 0.10 0.11 0.00 0.26 0.00 0.00 34.13 34.54 2nlu s GLU 32 CO -0.02 -0.08 0.16 1.41 -0.54 0.00 0.00 175.26 176.19 2nlu s MET 33 N 0.50 0.21 0.91 4.30 1.75 -1.26 -4.96 119.30 120.76 2nlu s MET 33 Ca -0.03 -0.43 -0.12 0.00 -1.25 0.00 0.00 55.69 53.86 2nlu s MET 33 Cb -0.04 -1.07 0.14 0.00 2.84 0.00 0.00 34.83 36.69 2nlu s MET 33 CO -0.03 -1.01 1.13 -2.14 -0.65 0.00 0.00 175.02 172.32 2nlu s PRO 34 N 2.16 1.15 -0.13 4.11 0.02 -1.26 -5.02 135.00 136.02 2nlu s PRO 34 Ca 0.09 0.35 -0.19 0.00 0.02 0.00 0.00 61.00 61.28 2nlu s PRO 34 Cb -0.16 -1.83 -0.17 0.00 0.02 0.00 0.00 34.50 32.36 2nlu s PRO 34 CO -0.35 -2.20 0.47 1.49 -0.33 0.00 0.00 177.00 176.07 2nlu h GLU 35 N -1.51 0.00 -0.75 5.54 4.57 -1.87 -3.45 114.58 117.11 2nlu h GLU 35 Ca -0.51 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 57.60 2nlu h GLU 35 Cb 1.33 0.00 -0.16 0.00 -0.16 0.00 0.00 28.75 29.75 2nlu h GLU 35 CO 0.61 0.65 -0.37 0.00 -1.18 0.00 0.00 179.01 178.72 2nlu s ALA 36 N -2.35 -2.90 0.00 2.92 0.00 -1.26 -4.98 121.76 113.19 2nlu s ALA 36 Ca -0.13 0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.90 2nlu s ALA 36 Cb -0.01 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.30 2nlu s ALA 36 CO 0.45 -2.32 0.00 0.00 0.00 0.00 0.00 175.76 173.88 2nlu n ALA 37 N 3.19 0.00 -2.60 0.00 0.00 -1.26 -4.78 120.51 115.06 2nlu n ALA 37 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.33 2nlu n ALA 37 Cb 0.59 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.02 2nlu n ALA 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2nlu s VAL 38 N 0.00 5.08 -0.54 0.00 0.11 -1.26 -4.97 120.40 118.82 2nlu s VAL 38 Ca 0.00 -0.28 -0.07 0.00 -2.93 0.00 0.00 61.98 58.70 2nlu s VAL 38 Cb 0.00 -3.82 0.14 0.00 -1.53 0.00 0.00 36.38 31.17 2nlu s VAL 38 CO 0.00 -0.50 0.40 -0.54 -3.33 0.00 0.00 175.10 171.12 2nlu s LYS 39 N -4.10 2.56 0.36 1.54 1.02 -1.26 -3.05 119.74 116.80 2nlu s LYS 39 Ca 0.41 -2.04 0.04 0.00 0.02 0.00 0.00 55.97 54.40 2nlu s LYS 39 Cb -0.10 -3.89 -0.03 0.00 -0.52 0.00 0.00 37.83 33.29 2nlu s LYS 39 CO 0.35 -1.18 0.16 0.45 -0.92 0.00 0.00 175.35 174.20 2nlu s SER 40 N 2.01 2.22 0.00 2.83 0.15 -1.26 -4.82 113.70 114.83 2nlu s SER 40 Ca 0.10 -1.63 0.00 0.00 0.70 0.00 0.00 55.95 55.12 2nlu s SER 40 Cb -0.22 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 2nlu s SER 40 CO -0.03 -0.92 0.00 0.41 1.20 0.00 0.00 173.24 173.90 2nlu n THR 41 N -0.75 0.00 -0.06 6.45 -1.04 -1.26 -4.87 114.28 112.75 2nlu n THR 41 Ca -0.02 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.92 2nlu n THR 41 Cb 0.65 -0.21 -0.01 0.00 -1.82 0.00 0.00 70.33 68.93 2nlu n THR 41 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2nlu h ALA 42 N 0.00 0.22 -0.43 2.41 0.00 -2.02 -1.22 119.26 118.21 2nlu h ALA 42 Ca 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2nlu h ALA 42 Cb 0.11 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2nlu h ALA 42 CO 0.00 -0.41 0.00 0.09 0.00 0.00 0.00 179.25 178.93 2nlu n ASN 43 N -5.14 4.56 -4.43 0.00 4.13 -1.26 -4.85 115.26 108.27 2nlu n ASN 43 Ca -0.01 -2.70 -0.33 0.00 1.68 0.00 0.00 54.58 53.22 2nlu n ASN 43 Cb 0.13 -0.64 -0.14 0.00 -1.54 0.00 0.00 39.78 37.59 2nlu n ASN 43 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 2nlu s LYS 44 N -2.32 2.83 0.54 3.52 2.20 -0.46 -4.85 119.74 121.20 2nlu s LYS 44 Ca 0.41 -0.70 0.03 0.00 -0.36 0.00 0.00 55.97 55.35 2nlu s LYS 44 Cb 0.31 -2.46 0.03 0.00 -1.51 0.00 0.00 37.83 34.20 2nlu s LYS 44 CO 0.12 0.46 0.24 0.71 -0.36 0.00 0.00 175.35 176.52 2nlu s TYR 45 N -0.31 1.62 -0.28 4.03 2.02 -0.67 -4.95 117.35 118.83 2nlu s TYR 45 Ca 0.03 -0.93 -0.11 0.00 -0.37 0.00 0.00 57.07 55.69 2nlu s TYR 45 Cb -0.13 -1.77 -0.05 0.00 -0.40 0.00 0.00 41.96 39.62 2nlu s TYR 45 CO 0.03 -0.22 0.20 -1.14 -1.57 0.00 0.00 175.55 172.85 2nlu s GLN 46 N -4.13 3.96 -0.29 -0.62 0.74 -1.26 -1.59 119.66 116.47 2nlu s GLN 46 Ca 0.20 -0.29 -0.07 0.00 0.05 0.00 0.00 55.36 55.25 2nlu s GLN 46 Cb -0.01 -3.65 0.00 0.00 1.10 0.00 0.00 33.01 30.44 2nlu s GLN 46 CO 0.12 -0.18 0.08 0.08 -0.55 0.00 0.00 175.29 174.85 2nlu s VAL 47 N 1.75 4.08 -0.27 1.34 1.01 0.16 -4.91 120.40 123.55 2nlu s VAL 47 Ca 0.08 -0.57 -0.10 0.00 0.00 0.00 0.00 61.98 61.39 2nlu s VAL 47 Cb -0.16 -3.06 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 2nlu s VAL 47 CO 0.11 0.13 0.16 0.12 0.00 0.00 0.00 175.10 175.62 2nlu s PHE 48 N 1.53 3.20 -0.33 5.22 5.36 -1.26 -0.71 117.98 130.99 2nlu s PHE 48 Ca 0.04 0.02 -0.24 0.00 -0.96 0.00 0.00 56.93 55.78 2nlu s PHE 48 Cb -0.17 -2.34 0.01 0.00 -0.34 0.00 0.00 43.02 40.18 2nlu s PHE 48 CO 0.03 -0.18 0.83 -0.06 -1.46 0.00 0.00 175.22 174.38 2nlu s PHE 49 N 1.68 3.17 0.01 10.12 0.40 0.99 -4.96 117.98 129.38 2nlu s PHE 49 Ca 0.07 0.79 -0.25 0.00 -0.60 0.00 0.00 56.93 56.94 2nlu s PHE 49 Cb -0.16 -3.35 -0.16 0.00 0.51 0.00 0.00 43.02 39.87 2nlu s PHE 49 CO 0.09 -0.65 1.21 0.74 0.70 0.00 0.00 175.22 177.31 2nlu h PHE 50 N 8.22 -0.47 0.99 0.36 0.04 -1.89 -1.05 116.94 123.15 2nlu h PHE 50 Ca -0.24 -0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.47 2nlu h PHE 50 Cb 1.09 0.15 0.01 0.00 2.20 0.00 0.00 35.95 39.40 2nlu h PHE 50 CO 0.79 -0.14 -0.48 0.78 -0.60 0.00 0.00 178.31 178.66 2nlu h GLY 51 N -0.84 -1.40 2.00 -1.45 0.00 -1.77 -2.25 103.07 97.36 2nlu h GLY 51 Ca -0.05 0.52 0.00 0.00 0.00 0.00 0.00 47.33 47.80 2nlu h GLY 51 CO 0.08 -0.51 0.00 -1.30 0.00 0.00 0.00 176.54 174.82 2nlu n THR 52 N -5.67 0.86 -1.92 4.70 -2.24 -1.21 -4.62 114.28 104.18 2nlu n THR 52 Ca -0.17 0.21 -0.16 0.00 -2.27 0.00 0.00 64.05 61.66 2nlu n THR 52 Cb 0.53 -0.95 -0.04 0.00 -2.10 0.00 0.00 70.33 67.77 2nlu n THR 52 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2nlu n HIS 53 N -1.59 -0.41 -3.88 4.78 -0.00 -0.48 -4.97 115.22 108.67 2nlu n HIS 53 Ca 0.04 0.00 -0.35 0.00 0.46 0.00 0.00 57.72 57.87 2nlu n HIS 53 Cb 0.20 -3.06 -0.09 0.00 -0.12 0.00 0.00 29.99 26.92 2nlu n HIS 53 CO 0.00 0.00 0.00 -1.21 0.46 0.00 0.00 176.34 175.59 2nlu s GLU 54 N -4.14 4.02 -0.25 1.57 0.41 -0.70 -4.89 118.70 114.72 2nlu s GLU 54 Ca 0.00 -0.31 -0.10 0.00 -0.41 0.00 0.00 54.97 54.15 2nlu s GLU 54 Cb 0.00 -3.32 -0.04 0.00 -1.78 0.00 0.00 34.13 28.99 2nlu s GLU 54 CO 0.00 0.22 0.14 0.99 -0.49 0.00 0.00 175.26 176.12 2nlu s THR 55 N 0.54 5.02 0.25 3.63 2.01 -1.26 -0.00 115.64 125.82 2nlu s THR 55 Ca 0.05 0.06 0.05 0.00 0.31 0.00 0.00 61.69 62.16 2nlu s THR 55 Cb -0.12 -3.35 -0.05 0.00 0.01 0.00 0.00 72.50 68.98 2nlu s THR 55 CO 0.01 0.32 -0.03 0.00 -0.69 0.00 0.00 174.62 174.23 2nlu s ALA 56 N 1.40 2.05 -0.39 7.40 0.00 0.11 -5.00 121.76 127.34 2nlu s ALA 56 Ca 0.06 -1.83 -0.05 0.00 0.00 0.00 0.00 51.96 50.15 2nlu s ALA 56 Cb -0.15 0.36 0.09 0.00 0.00 0.00 0.00 23.12 23.42 2nlu s ALA 56 CO 0.06 -0.17 0.18 -0.06 0.00 0.00 0.00 175.76 175.77 2nlu s PHE 57 N -3.24 3.45 0.36 0.00 0.08 -1.26 0.35 117.98 117.72 2nlu s PHE 57 Ca 0.29 -2.03 0.03 0.00 0.12 0.00 0.00 56.93 55.34 2nlu s PHE 57 Cb 0.05 -2.92 -0.04 0.00 -0.57 0.00 0.00 43.02 39.54 2nlu s PHE 57 CO 0.10 -0.90 0.10 -0.51 -0.10 0.00 0.00 175.22 173.91 2nlu s LEU 58 N 1.25 2.01 0.00 -0.37 1.43 -0.62 -4.90 118.68 117.48 2nlu s LEU 58 Ca 0.04 -1.53 0.00 0.00 -1.03 0.00 0.00 54.13 51.61 2nlu s LEU 58 Cb -0.22 -0.19 0.00 0.00 0.03 0.00 0.00 46.19 45.81 2nlu s LEU 58 CO -0.02 -0.79 0.00 0.61 0.23 0.00 0.00 176.35 176.38 2nlu n GLY 59 N -0.78 4.01 0.37 -3.19 0.00 -1.26 -1.66 105.19 102.67 2nlu n GLY 59 Ca -0.04 -1.34 0.19 0.00 0.00 0.00 0.00 46.02 44.83 2nlu n GLY 59 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2nlu h PRO 60 N 0.00 0.00 -0.98 1.61 0.11 -1.89 -0.75 132.00 130.11 2nlu h PRO 60 Ca 0.00 0.00 0.23 0.00 0.11 0.00 0.00 66.00 66.34 2nlu h PRO 60 Cb 0.00 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 30.99 2nlu h PRO 60 CO 0.00 0.00 0.55 -0.22 -0.21 0.00 0.00 178.00 178.12 2nlu h LYS 61 N 0.00 0.55 0.00 1.05 3.64 -1.99 -2.44 116.57 117.38 2nlu h LYS 61 Ca 0.20 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2nlu h LYS 61 Cb 0.87 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.56 2nlu h LYS 61 CO -0.00 0.37 -0.09 -0.25 -2.27 0.00 0.00 179.45 177.20 2nlu n ASP 62 N -4.90 1.99 -3.94 4.20 8.00 -0.36 -5.02 116.55 116.51 2nlu n ASP 62 Ca 0.25 -2.95 -0.20 0.00 0.71 0.00 0.00 54.79 52.60 2nlu n ASP 62 Cb 0.69 -0.40 -0.16 0.00 -0.02 0.00 0.00 41.12 41.24 2nlu n ASP 62 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2nlu s LEU 63 N -2.46 1.57 0.13 0.64 2.96 -0.74 -4.91 118.68 115.87 2nlu s LEU 63 Ca 0.28 -0.15 0.07 0.00 -0.22 0.00 0.00 54.13 54.10 2nlu s LEU 63 Cb 0.24 -0.48 -0.04 0.00 0.50 0.00 0.00 46.19 46.42 2nlu s LEU 63 CO 0.02 0.00 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.54 2nlu s PHE 64 N 0.55 1.50 0.87 5.38 0.08 -1.26 -4.61 117.98 120.48 2nlu s PHE 64 Ca -0.08 -0.52 -0.12 0.00 0.12 0.00 0.00 56.93 56.33 2nlu s PHE 64 Cb -0.11 -0.78 0.09 0.00 -0.57 0.00 0.00 43.02 41.64 2nlu s PHE 64 CO 0.01 0.18 1.00 -2.30 -0.10 0.00 0.00 175.22 174.01 2nlu n PRO 65 N 0.58 -0.12 -0.09 0.24 -0.02 -1.26 -4.98 135.00 129.34 2nlu n PRO 65 Ca -0.16 0.03 -0.11 0.00 -2.02 0.00 0.00 63.50 61.25 2nlu n PRO 65 Cb 0.57 -2.28 -0.04 0.00 -0.02 0.00 0.00 33.50 31.73 2nlu n PRO 65 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 2nlu n TYR 66 N -3.63 0.14 0.30 6.00 4.19 -1.26 -3.40 117.16 119.50 2nlu n TYR 66 Ca 0.12 0.06 0.18 0.00 3.31 0.00 0.00 57.90 61.56 2nlu n TYR 66 Cb 0.51 -0.60 0.84 0.00 0.49 0.00 0.00 39.34 40.58 2nlu n TYR 66 CO 0.00 0.00 0.00 1.05 0.91 0.00 0.00 176.86 178.82 2nlu h GLU 67 N -1.00 0.00 0.00 2.98 4.11 -2.00 -0.61 114.58 118.05 2nlu h GLU 67 Ca -0.09 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.17 2nlu h GLU 67 Cb 1.02 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.24 2nlu h GLU 67 CO -0.05 0.00 -1.59 0.39 0.07 0.00 0.00 179.01 177.82 2nlu n GLU 68 N -2.88 0.23 0.00 1.06 1.02 -1.26 -4.65 120.64 114.16 2nlu n GLU 68 Ca -0.01 0.10 0.16 0.00 -0.02 0.00 0.00 57.16 57.38 2nlu n GLU 68 Cb 0.18 -0.91 0.92 0.00 -0.02 0.00 0.00 31.44 31.61 2nlu n GLU 68 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2nlu n SER 69 N -3.41 0.00 -0.33 1.62 7.64 -1.22 -3.38 113.62 114.54 2nlu n SER 69 Ca -0.21 -0.92 0.31 0.00 1.01 0.00 0.00 58.87 59.06 2nlu n SER 69 Cb 0.65 -0.02 0.67 0.00 -1.01 0.00 0.00 64.21 64.50 2nlu n SER 69 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 2nlu h LYS 70 N 0.00 0.13 0.00 1.43 2.10 -1.24 0.08 116.57 119.07 2nlu h LYS 70 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 2nlu h LYS 70 Cb 0.02 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.32 2nlu h LYS 70 CO 0.00 0.09 0.00 0.93 -2.00 0.00 0.00 179.45 178.47 2nlu h GLU 71 N 0.14 0.00 0.01 0.07 5.08 -1.84 -1.20 114.58 116.83 2nlu h GLU 71 Ca 0.59 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.59 2nlu h GLU 71 Cb 2.04 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 31.23 2nlu h GLU 71 CO -0.13 0.00 -2.27 1.17 -1.00 0.00 0.00 179.01 176.78 2nlu n LYS 72 N -3.06 0.68 -0.08 2.33 4.81 -0.04 -4.42 118.16 118.38 2nlu n LYS 72 Ca 0.03 0.09 0.04 0.00 -0.87 0.00 0.00 58.31 57.60 2nlu n LYS 72 Cb 0.48 -1.58 0.08 0.00 0.02 0.00 0.00 35.03 34.03 2nlu n LYS 72 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 2nlu n PHE 73 N -2.96 0.21 -2.64 5.64 3.72 -0.85 -4.85 117.46 115.73 2nlu n PHE 73 Ca -0.33 -0.32 -0.43 0.00 -0.05 0.00 0.00 57.45 56.31 2nlu n PHE 73 Cb 1.10 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.62 2nlu n PHE 73 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2nlu n GLY 74 N 0.30 3.12 2.99 1.37 0.00 -0.45 -4.86 105.19 107.66 2nlu n GLY 74 Ca 0.07 -1.71 -0.13 0.00 0.00 0.00 0.00 46.02 44.25 2nlu n GLY 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nlu s LYS 75 N 2.97 0.22 -0.19 1.61 -2.85 -1.26 -4.97 119.74 115.26 2nlu s LYS 75 Ca 0.49 0.67 -0.20 0.00 -1.00 0.00 0.00 55.97 55.92 2nlu s LYS 75 Cb 0.02 -0.25 -0.03 0.00 -2.06 0.00 0.00 37.83 35.51 2nlu s LYS 75 CO 0.04 -0.40 0.59 -1.25 0.10 0.00 0.00 175.35 174.42 2nlu s PRO 76 N 2.46 4.22 -0.08 1.78 0.04 -1.26 -5.06 135.00 137.10 2nlu s PRO 76 Ca 0.04 0.55 0.01 0.00 0.04 0.00 0.00 61.00 61.64 2nlu s PRO 76 Cb -0.13 -3.56 -0.02 0.00 0.04 0.00 0.00 34.50 30.83 2nlu s PRO 76 CO -0.11 -0.17 -0.12 -0.80 0.04 0.00 0.00 177.00 175.84 2nlu s ASN 77 N 1.13 4.21 -1.15 6.66 0.02 -1.26 -5.04 114.94 119.52 2nlu s ASN 77 Ca 0.27 -0.19 -0.22 0.00 -1.02 0.00 0.00 52.86 51.71 2nlu s ASN 77 Cb -0.16 -1.19 -0.01 0.00 0.02 0.00 0.00 41.25 39.91 2nlu s ASN 77 CO 0.10 0.29 1.80 -0.54 0.02 0.00 0.00 177.10 178.77 2nlu s LYS 78 N -0.37 3.15 0.01 -0.60 1.02 -1.26 -4.35 119.74 117.34 2nlu s LYS 78 Ca 0.04 -1.28 0.07 0.00 0.02 0.00 0.00 55.97 54.82 2nlu s LYS 78 Cb -0.12 -5.33 -0.02 0.00 -0.52 0.00 0.00 37.83 31.84 2nlu s LYS 78 CO 0.02 -3.06 -0.20 1.03 -0.92 0.00 0.00 175.35 172.22 2nlu s ARG 79 N 5.61 1.54 0.12 1.68 0.52 -1.26 -5.01 118.95 122.16 2nlu s ARG 79 Ca 0.61 -0.80 -0.29 0.00 -0.52 0.00 0.00 55.73 54.73 2nlu s ARG 79 Cb -0.00 -1.55 -0.07 0.00 0.52 0.00 0.00 34.95 33.85 2nlu s ARG 79 CO 0.06 0.41 1.60 0.87 0.02 0.00 0.00 175.30 178.26 2nlu h LYS 80 N 5.35 -0.51 -0.37 3.54 1.57 -1.99 0.32 116.57 124.49 2nlu h LYS 80 Ca -0.40 0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.29 2nlu h LYS 80 Cb 1.15 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.56 2nlu h LYS 80 CO 0.46 -0.34 -0.28 0.78 -0.57 0.00 0.00 179.45 179.50 2nlu h GLY 81 N -0.53 0.83 0.97 3.86 0.00 -1.96 -2.21 103.07 104.03 2nlu h GLY 81 Ca 0.06 -0.75 -0.00 0.00 0.00 0.00 0.00 47.33 46.63 2nlu h GLY 81 CO -0.30 0.68 -0.01 -2.75 0.00 0.00 0.00 176.54 174.16 2nlu h PHE 82 N 0.66 -0.02 -0.17 5.60 3.04 -1.71 0.09 116.94 124.43 2nlu h PHE 82 Ca 0.08 -0.00 -0.09 0.00 3.98 0.00 0.00 57.97 61.94 2nlu h PHE 82 Cb 0.80 0.01 -0.00 0.00 2.56 0.00 0.00 35.95 39.32 2nlu h PHE 82 CO 0.04 0.02 -0.25 0.77 -2.02 0.00 0.00 178.31 176.87 2nlu h SER 83 N -0.05 0.51 0.26 0.41 0.02 -0.36 -2.11 113.55 112.23 2nlu h SER 83 Ca -0.00 -0.52 -0.06 0.00 -0.84 0.00 0.00 61.79 60.36 2nlu h SER 83 Cb 0.05 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 2nlu h SER 83 CO 0.00 0.94 -0.29 -0.33 -1.14 0.00 0.00 176.83 176.01 2nlu h GLU 84 N 0.11 0.05 -0.09 3.45 4.39 -1.41 -1.25 114.58 119.82 2nlu h GLU 84 Ca 0.02 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 2nlu h GLU 84 Cb 0.82 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.47 2nlu h GLU 84 CO 0.06 0.33 -0.10 0.78 -1.16 0.00 0.00 179.01 178.92 2nlu h GLY 85 N 0.91 0.26 1.64 -3.84 0.00 -0.61 0.33 103.07 101.76 2nlu h GLY 85 Ca 0.00 -0.27 -0.14 0.00 0.00 0.00 0.00 47.33 46.92 2nlu h GLY 85 CO 0.04 0.24 -0.53 -2.00 0.00 0.00 0.00 176.54 174.29 2nlu h LEU 86 N -0.18 0.42 -0.26 3.11 6.46 -1.34 -2.01 115.31 121.51 2nlu h LEU 86 Ca 0.01 -0.22 -0.04 0.00 -0.12 0.00 0.00 57.88 57.51 2nlu h LEU 86 Cb 0.62 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.42 2nlu h LEU 86 CO 0.02 0.87 -0.01 -0.25 -0.62 0.00 0.00 178.44 178.46 2nlu h TRP 87 N 0.30 0.51 -0.29 1.25 7.01 -1.18 0.50 115.95 124.05 2nlu h TRP 87 Ca 0.01 -0.09 0.08 0.00 2.11 0.00 0.00 58.89 61.00 2nlu h TRP 87 Cb 1.03 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.95 2nlu h TRP 87 CO 0.03 0.63 0.21 1.49 -2.79 0.00 0.00 178.44 178.02 2nlu h GLU 88 N 0.24 0.00 0.00 2.65 4.57 -0.16 0.05 114.58 121.93 2nlu h GLU 88 Ca 0.07 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 58.04 2nlu h GLU 88 Cb 0.44 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.99 2nlu h GLU 88 CO 0.02 0.00 -1.33 0.82 -1.18 0.00 0.00 179.01 177.33 2nlu h ILE 89 N 0.00 0.92 -0.75 2.32 1.08 -0.86 -0.39 117.51 119.82 2nlu h ILE 89 Ca 0.14 -2.58 0.04 0.00 -0.39 0.00 0.00 64.86 62.06 2nlu h ILE 89 Cb 0.56 2.39 -0.04 0.00 -3.07 0.00 0.00 36.82 36.66 2nlu h ILE 89 CO -0.00 0.53 0.50 -0.08 -0.69 0.00 0.00 178.15 178.40 2nlu h GLU 90 N 0.00 0.87 0.03 2.37 4.81 0.20 -2.63 114.58 120.22 2nlu h GLU 90 Ca -0.16 -0.05 -0.35 0.00 -0.13 0.00 0.00 59.36 58.67 2nlu h GLU 90 Cb 1.76 -0.20 -0.05 0.00 0.63 0.00 0.00 28.75 30.90 2nlu h GLU 90 CO 0.08 0.57 -2.09 0.27 -0.73 0.00 0.00 179.01 177.11 2nlu n ASN 91 N -4.46 1.15 -1.68 1.04 0.23 -0.97 -5.09 115.26 105.49 2nlu n ASN 91 Ca 0.10 0.16 0.00 0.00 -0.53 0.00 0.00 54.58 54.31 2nlu n ASN 91 Cb 0.14 -0.05 0.00 0.00 -2.08 0.00 0.00 39.78 37.80 2nlu n ASN 91 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2nlu n ASN 92 N -3.11 -6.40 0.16 0.53 5.15 -0.16 -4.99 115.26 106.44 2nlu n ASN 92 Ca -0.30 1.01 -0.08 0.00 -0.60 0.00 0.00 54.58 54.61 2nlu n ASN 92 Cb 1.07 -3.48 -0.04 0.00 -0.53 0.00 0.00 39.78 36.79 2nlu n ASN 92 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2nlu h PRO 93 N 2.55 -0.46 -5.31 1.20 0.13 -1.90 -3.43 132.00 124.79 2nlu h PRO 93 Ca 0.00 0.03 -0.66 0.00 -0.87 0.00 0.00 66.00 64.50 2nlu h PRO 93 Cb 0.00 0.10 -0.16 0.00 0.13 0.00 0.00 31.00 31.08 2nlu h PRO 93 CO 0.00 -0.26 0.06 0.99 -0.23 0.00 0.00 178.00 178.57 2nlu s THR 94 N -3.28 4.88 0.23 1.56 2.01 -1.26 -5.04 115.64 114.74 2nlu s THR 94 Ca -0.08 0.03 -0.27 0.00 0.31 0.00 0.00 61.69 61.68 2nlu s THR 94 Cb 0.01 -4.18 -0.09 0.00 0.01 0.00 0.00 72.50 68.25 2nlu s THR 94 CO 0.26 -0.57 0.87 0.68 -0.69 0.00 0.00 174.62 175.18 2nlu s VAL 95 N 2.69 4.24 -0.73 3.82 -7.23 -1.26 -4.99 120.40 116.93 2nlu s VAL 95 Ca 0.21 1.83 -0.24 0.00 -1.81 0.00 0.00 61.98 61.97 2nlu s VAL 95 Cb -0.15 -4.15 0.06 0.00 0.56 0.00 0.00 36.38 32.70 2nlu s VAL 95 CO 0.18 0.40 1.13 -0.75 -0.31 0.00 0.00 175.10 175.74 2nlu s LYS 96 N -1.45 3.21 0.00 4.82 2.20 -1.26 -4.36 119.74 122.90 2nlu s LYS 96 Ca 0.42 -0.70 0.00 0.00 -0.36 0.00 0.00 55.97 55.33 2nlu s LYS 96 Cb -0.23 -4.34 0.00 0.00 -1.51 0.00 0.00 37.83 31.76 2nlu s LYS 96 CO 0.27 -1.97 0.00 0.00 -0.36 0.00 0.00 175.35 173.30 2nlu n ALA 97 N 8.33 0.71 -2.14 3.13 0.00 -1.26 -5.12 120.51 124.17 2nlu n ALA 97 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.47 2nlu n ALA 97 Cb 0.47 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.92 2nlu n ALA 97 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2nlu n SER 98 N -1.50 -5.09 0.00 0.00 2.88 -1.26 -5.10 113.62 103.55 2nlu n SER 98 Ca 0.00 0.76 0.00 0.00 -1.33 0.00 0.00 58.87 58.30 2nlu n SER 98 Cb 0.00 -3.29 0.00 0.00 -0.75 0.00 0.00 64.21 60.17 2nlu n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2nlu n GLY 99 N 0.38 3.29 0.90 0.46 0.00 -1.26 -5.27 105.19 103.69 2nlu n GLY 99 Ca -0.00 -1.71 0.11 0.00 0.00 0.00 0.00 46.02 44.42 2nlu n GLY 99 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60