#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nlu h SER 2 N 0.00 -0.58 -3.46 7.83 0.02 -2.13 -3.39 113.55 111.83 2nlu h SER 2 Ca 0.00 -0.03 -0.71 0.00 -0.84 0.00 0.00 61.79 60.21 2nlu h SER 2 Cb 0.00 0.15 -0.29 0.00 0.14 0.00 0.00 62.40 62.40 2nlu h SER 2 CO 0.00 -0.17 -0.49 -0.13 -1.14 0.00 0.00 176.83 174.90 2nlu s ARG 3 N -4.07 2.49 0.50 3.45 0.52 -1.26 -5.08 118.95 115.50 2nlu s ARG 3 Ca -0.12 -1.53 0.07 0.00 -0.52 0.00 0.00 55.73 53.64 2nlu s ARG 3 Cb 0.01 -3.73 0.04 0.00 0.52 0.00 0.00 34.95 31.80 2nlu s ARG 3 CO 0.37 -0.97 0.69 0.45 0.02 0.00 0.00 175.30 175.85 2nlu s SER 4 N 2.07 5.37 -0.09 0.23 0.15 -1.26 -5.05 113.70 115.11 2nlu s SER 4 Ca 0.03 -0.51 -0.30 0.00 0.70 0.00 0.00 55.95 55.88 2nlu s SER 4 Cb -0.23 -0.34 -0.03 0.00 -1.71 0.00 0.00 66.02 63.71 2nlu s SER 4 CO 0.01 -1.05 1.22 0.20 1.20 0.00 0.00 173.24 174.82 2nlu s ASN 5 N -4.48 7.02 0.00 5.45 -0.87 -1.26 -4.89 114.94 115.91 2nlu s ASN 5 Ca 0.58 1.77 0.28 0.00 -1.57 0.00 0.00 52.86 53.92 2nlu s ASN 5 Cb -0.08 -2.55 1.10 0.00 -0.02 0.00 0.00 41.25 39.70 2nlu s ASN 5 CO 0.36 -0.64 1.79 0.54 -2.57 0.00 0.00 177.10 176.58 2nlu n ARG 6 N 5.68 0.43 -3.11 -0.60 5.12 -1.26 -4.60 116.66 118.32 2nlu n ARG 6 Ca 0.12 -0.15 -0.45 0.00 -1.93 0.00 0.00 57.85 55.44 2nlu n ARG 6 Cb 0.46 -1.50 -0.05 0.00 -1.16 0.00 0.00 32.46 30.21 2nlu n ARG 6 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 2nlu s GLN 7 N -2.67 3.05 -0.35 5.56 -2.07 -1.26 -5.02 119.66 116.90 2nlu s GLN 7 Ca 0.23 -1.30 -0.05 0.00 -1.82 0.00 0.00 55.36 52.41 2nlu s GLN 7 Cb 0.19 -4.26 0.06 0.00 -1.09 0.00 0.00 33.01 27.91 2nlu s GLN 7 CO 0.52 -1.53 0.12 0.15 -1.32 0.00 0.00 175.29 173.23 2nlu s LYS 8 N 2.68 2.48 0.02 9.60 1.02 -1.26 -5.07 119.74 129.21 2nlu s LYS 8 Ca 0.12 -1.33 0.02 0.00 0.02 0.00 0.00 55.97 54.79 2nlu s LYS 8 Cb -0.24 -3.46 -0.02 0.00 -0.52 0.00 0.00 37.83 33.60 2nlu s LYS 8 CO 0.06 -0.76 -0.06 -2.00 -0.92 0.00 0.00 175.35 171.68 2nlu s GLU 9 N 1.33 0.44 -0.25 1.68 2.56 -1.26 -5.13 118.70 118.07 2nlu s GLU 9 Ca -0.00 -0.52 -0.22 0.00 0.00 0.00 0.00 54.97 54.23 2nlu s GLU 9 Cb -0.21 -0.27 -0.01 0.00 2.00 0.00 0.00 34.13 35.65 2nlu s GLU 9 CO 0.01 0.06 0.73 0.71 -0.56 0.00 0.00 175.26 176.21 2nlu s TYR 10 N -0.91 3.29 0.08 5.30 2.02 -1.26 -5.04 117.35 120.82 2nlu s TYR 10 Ca -0.06 0.95 0.04 0.00 -0.37 0.00 0.00 57.07 57.63 2nlu s TYR 10 Cb -0.07 -2.97 -0.04 0.00 -0.40 0.00 0.00 41.96 38.48 2nlu s TYR 10 CO 0.00 -0.38 -0.00 0.15 -1.57 0.00 0.00 175.55 173.74 2nlu s LYS 11 N 2.70 2.57 -0.49 -0.62 1.02 -1.26 -5.02 119.74 118.64 2nlu s LYS 11 Ca 0.31 -0.81 -0.45 0.00 0.02 0.00 0.00 55.97 55.04 2nlu s LYS 11 Cb -0.15 -2.55 -0.19 0.00 -0.52 0.00 0.00 37.83 34.42 2nlu s LYS 11 CO 0.08 0.55 1.95 0.00 -0.92 0.00 0.00 175.35 177.01 2nlu n GLY 13 N 6.20 1.76 3.78 0.00 0.00 0.48 -4.96 105.19 112.45 2nlu n GLY 13 Ca 0.46 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.57 6.95 -0.07 1.61 1.01 -0.13 -4.80 116.67 119.68 2nlu s ASP 14 Ca 0.00 2.05 0.01 0.00 0.71 0.00 0.00 52.55 55.33 2nlu s ASP 14 Cb 0.00 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.31 2nlu s ASP 14 CO 0.00 -0.36 -0.08 -0.22 0.21 0.00 0.00 175.17 174.72 2nlu s LEU 15 N -2.31 3.11 0.00 1.23 0.20 -1.26 -0.62 118.68 119.04 2nlu s LEU 15 Ca 0.54 -0.05 -0.06 0.00 0.69 0.00 0.00 54.13 55.25 2nlu s LEU 15 Cb -0.24 -1.67 0.02 0.00 -0.43 0.00 0.00 46.19 43.88 2nlu s LEU 15 CO 0.30 0.36 0.45 1.33 -0.29 0.00 0.00 176.35 178.49 2nlu n VAL 16 N 2.24 0.00 -3.45 1.68 0.24 0.07 -4.99 118.33 114.12 2nlu n VAL 16 Ca -0.18 -0.95 -0.40 0.00 -2.04 0.00 0.00 64.34 60.78 2nlu n VAL 16 Cb 0.53 0.72 -0.10 0.00 -1.47 0.00 0.00 33.84 33.52 2nlu n VAL 16 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 2nlu s PHE 17 N -3.95 3.23 0.09 6.34 0.40 -1.26 -0.14 117.98 122.68 2nlu s PHE 17 Ca 0.15 0.15 0.03 0.00 -0.60 0.00 0.00 56.93 56.67 2nlu s PHE 17 Cb -0.02 -2.56 -0.04 0.00 0.51 0.00 0.00 43.02 40.91 2nlu s PHE 17 CO 0.11 -0.30 0.10 0.00 0.70 0.00 0.00 175.22 175.84 2nlu s ALA 18 N 1.96 3.62 -0.18 5.36 0.00 -0.11 -4.79 121.76 127.63 2nlu s ALA 18 Ca 0.12 -1.01 -0.01 0.00 0.00 0.00 0.00 51.96 51.06 2nlu s ALA 18 Cb -0.16 -1.47 -0.00 0.00 0.00 0.00 0.00 23.12 21.48 2nlu s ALA 18 CO 0.11 0.73 -0.13 -1.59 0.00 0.00 0.00 175.76 174.88 2nlu s LYS 19 N -2.48 3.23 0.43 0.00 -2.85 -1.26 -0.09 119.74 116.72 2nlu s LYS 19 Ca 0.30 -0.73 0.04 0.00 -1.00 0.00 0.00 55.97 54.58 2nlu s LYS 19 Cb -0.12 -2.72 -0.01 0.00 -2.06 0.00 0.00 37.83 32.92 2nlu s LYS 19 CO 0.23 -0.07 0.13 -0.12 0.10 0.00 0.00 175.35 175.62 2nlu n MET 20 N 4.32 0.59 -1.80 1.78 1.56 -0.83 -5.01 117.12 117.73 2nlu n MET 20 Ca -0.19 -3.58 -0.42 0.00 -0.27 0.00 0.00 57.70 53.23 2nlu n MET 20 Cb 0.51 1.82 -0.03 0.00 2.15 0.00 0.00 33.22 37.67 2nlu n MET 20 CO 0.00 0.00 0.00 0.15 -0.73 0.00 0.00 175.97 175.39 2nlu s LYS 21 N -3.63 3.81 0.00 2.12 -0.14 -1.26 -1.73 119.74 118.91 2nlu s LYS 21 Ca 0.19 2.19 0.00 0.00 -1.36 0.00 0.00 55.97 56.98 2nlu s LYS 21 Cb 0.01 -4.16 0.00 0.00 -1.68 0.00 0.00 37.83 32.00 2nlu s LYS 21 CO 0.13 -1.31 0.00 0.41 -0.76 0.00 0.00 175.35 173.82 2nlu n GLY 22 N 4.82 2.86 3.32 -3.33 0.00 -1.26 -4.97 105.19 106.63 2nlu n GLY 22 Ca 0.22 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.89 3.29 -0.76 1.61 2.02 -0.70 -5.03 117.35 115.88 2nlu s TYR 23 Ca 0.00 -1.29 -0.19 0.00 -0.37 0.00 0.00 57.07 55.21 2nlu s TYR 23 Cb 0.00 -3.37 0.11 0.00 -0.40 0.00 0.00 41.96 38.31 2nlu s TYR 23 CO 0.00 -0.90 0.95 -1.25 -1.57 0.00 0.00 175.55 172.77 2nlu s PRO 24 N 1.55 3.33 -0.94 -1.71 0.04 -1.26 -1.96 135.00 134.04 2nlu s PRO 24 Ca 0.04 -1.46 -0.04 0.00 0.04 0.00 0.00 61.00 59.58 2nlu s PRO 24 Cb -0.26 -4.53 -0.05 0.00 0.04 0.00 0.00 34.50 29.70 2nlu s PRO 24 CO 0.04 -1.69 0.83 0.72 0.04 0.00 0.00 177.00 176.94 2nlu n HIS 25 N 6.60 -2.48 -3.53 0.56 8.25 -1.15 -4.97 115.22 118.50 2nlu n HIS 25 Ca 0.07 0.88 -0.37 0.00 -0.26 0.00 0.00 57.72 58.04 2nlu n HIS 25 Cb 0.46 -4.05 -0.08 0.00 1.12 0.00 0.00 29.99 27.44 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 -3.29 3.38 -0.32 4.41 -0.11 0.87 -4.70 118.94 119.18 2nlu s TRP 26 Ca 0.34 0.48 -0.33 0.00 1.22 0.00 0.00 56.10 57.81 2nlu s TRP 26 Cb -0.04 -2.38 -0.10 0.00 -1.50 0.00 0.00 33.47 29.45 2nlu s TRP 26 CO 0.71 0.10 2.21 -2.30 -4.62 0.00 0.00 176.95 173.05 2nlu n PRO 27 N 4.11 1.30 -4.23 5.86 -0.02 -1.26 -0.93 135.00 139.84 2nlu n PRO 27 Ca -0.12 0.35 -0.14 0.00 -2.02 0.00 0.00 63.50 61.57 2nlu n PRO 27 Cb 0.52 -2.68 -0.10 0.00 -0.02 0.00 0.00 33.50 31.21 2nlu n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2nlu s ALA 28 N 7.69 1.34 -0.03 3.55 0.00 0.80 -4.92 121.76 130.20 2nlu s ALA 28 Ca 1.07 -1.38 -0.01 0.00 0.00 0.00 0.00 51.96 51.64 2nlu s ALA 28 Cb -0.71 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 2nlu s ALA 28 CO 0.45 -0.07 0.05 0.50 0.00 0.00 0.00 175.76 176.70 2nlu s ARG 29 N -3.38 3.02 -0.08 0.00 3.52 -1.26 -0.75 118.95 120.02 2nlu s ARG 29 Ca 0.13 -0.46 -0.17 0.00 -0.13 0.00 0.00 55.73 55.09 2nlu s ARG 29 Cb 0.00 -2.83 -0.05 0.00 -1.56 0.00 0.00 34.95 30.51 2nlu s ARG 29 CO 0.00 0.67 0.46 0.42 -0.81 0.00 0.00 175.30 176.04 2nlu s ILE 30 N -1.09 5.13 -0.22 4.11 -1.09 0.21 -4.98 121.20 123.27 2nlu s ILE 30 Ca 0.19 0.92 -0.03 0.00 -2.23 0.00 0.00 60.65 59.50 2nlu s ILE 30 Cb -0.12 -3.79 0.11 0.00 -1.58 0.00 0.00 42.46 37.09 2nlu s ILE 30 CO 0.10 0.40 0.30 -0.62 -1.23 0.00 0.00 174.94 173.89 2nlu s ASP 31 N 0.12 0.72 -0.17 3.58 2.15 -1.26 -0.39 116.67 121.41 2nlu s ASP 31 Ca 0.25 0.08 -0.20 0.00 0.43 0.00 0.00 52.55 53.11 2nlu s ASP 31 Cb -0.16 0.78 -0.03 0.00 -0.30 0.00 0.00 42.92 43.22 2nlu s ASP 31 CO 0.11 -0.31 0.58 -0.70 -0.17 0.00 0.00 175.17 174.69 2nlu s GLU 32 N 2.45 4.25 -0.16 4.34 2.56 -1.26 -4.99 118.70 125.88 2nlu s GLU 32 Ca 0.09 0.56 -0.08 0.00 0.00 0.00 0.00 54.97 55.55 2nlu s GLU 32 Cb -0.15 -3.54 0.06 0.00 2.00 0.00 0.00 34.13 32.50 2nlu s GLU 32 CO -0.14 -0.13 0.37 1.41 -0.56 0.00 0.00 175.26 176.21 2nlu s MET 33 N 1.54 0.33 1.08 4.30 -2.45 -1.26 -4.95 119.30 117.88 2nlu s MET 33 Ca 0.28 0.76 -0.12 0.00 -1.25 0.00 0.00 55.69 55.36 2nlu s MET 33 Cb -0.16 -0.00 0.24 0.00 1.25 0.00 0.00 34.83 36.16 2nlu s MET 33 CO 0.11 -0.18 1.06 -1.25 1.05 0.00 0.00 175.02 175.81 2nlu s PRO 34 N 1.60 -0.24 0.30 4.11 0.04 -1.26 -4.88 135.00 134.67 2nlu s PRO 34 Ca -0.08 0.95 0.08 0.00 0.04 0.00 0.00 61.00 61.99 2nlu s PRO 34 Cb -0.10 -1.62 0.47 0.00 0.04 0.00 0.00 34.50 33.29 2nlu s PRO 34 CO -0.12 -3.30 1.69 1.49 0.04 0.00 0.00 177.00 176.81 2nlu h GLU 35 N -2.32 0.15 0.00 4.56 4.81 -1.10 -3.44 114.58 117.24 2nlu h GLU 35 Ca -0.56 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 58.59 2nlu h GLU 35 Cb 1.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.70 2nlu h GLU 35 CO 0.50 0.59 0.00 0.00 -0.73 0.00 0.00 179.01 179.36 2nlu n ALA 36 N -2.46 0.62 0.00 2.92 0.00 -1.26 -4.97 120.51 115.35 2nlu n ALA 36 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2nlu n ALA 36 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 2nlu n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2nlu n ALA 37 N -3.41 1.85 -2.43 0.00 0.00 -1.26 -5.07 120.51 110.19 2nlu n ALA 37 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 2nlu n ALA 37 Cb 0.00 0.26 -0.11 0.00 0.00 0.00 0.00 19.45 19.60 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 -1.75 2.14 -0.23 0.00 0.11 -1.26 -4.83 120.40 114.57 2nlu s VAL 38 Ca 0.00 -2.14 -0.13 0.00 -2.93 0.00 0.00 61.98 56.79 2nlu s VAL 38 Cb 0.00 -2.08 -0.10 0.00 -1.53 0.00 0.00 36.38 32.67 2nlu s VAL 38 CO 0.00 -0.33 -0.31 1.17 -3.33 0.00 0.00 175.10 172.30 2nlu n LYS 39 N -0.09 0.51 -4.03 1.54 4.81 -1.26 -0.53 118.16 119.11 2nlu n LYS 39 Ca -0.10 0.22 -0.13 0.00 -0.87 0.00 0.00 58.31 57.44 2nlu n LYS 39 Cb 0.58 -1.36 -0.13 0.00 0.02 0.00 0.00 35.03 34.15 2nlu n LYS 39 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2nlu s SER 40 N -6.99 0.49 -0.56 3.14 1.04 -1.26 -4.73 113.70 104.83 2nlu s SER 40 Ca -0.33 -0.33 0.03 0.00 0.48 0.00 0.00 55.95 55.80 2nlu s SER 40 Cb 0.12 0.02 0.14 0.00 0.10 0.00 0.00 66.02 66.40 2nlu s SER 40 CO 0.42 -0.13 0.32 0.42 0.98 0.00 0.00 173.24 175.25 2nlu s THR 41 N -0.84 2.84 -0.25 2.02 -4.23 -1.26 -5.08 115.64 108.84 2nlu s THR 41 Ca -0.07 -3.34 -0.15 0.00 -1.18 0.00 0.00 61.69 56.95 2nlu s THR 41 Cb -0.06 -2.93 -0.04 0.00 1.34 0.00 0.00 72.50 70.81 2nlu s THR 41 CO -0.00 -0.83 0.39 0.00 -0.54 0.00 0.00 174.62 173.63 2nlu s ALA 42 N -0.36 3.57 0.00 3.99 0.00 -1.26 -4.79 121.76 122.91 2nlu s ALA 42 Ca 0.18 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.42 2nlu s ALA 42 Cb -0.23 -2.70 0.00 0.00 0.00 0.00 0.00 23.12 20.19 2nlu s ALA 42 CO -0.02 -0.55 0.00 -1.71 0.00 0.00 0.00 175.76 173.48 2nlu n ASN 43 N 5.09 0.00 -3.88 0.00 5.15 -1.26 -5.16 115.26 115.20 2nlu n ASN 43 Ca -0.08 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.81 2nlu n ASN 43 Cb 0.51 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.69 2nlu n ASN 43 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2nlu s LYS 44 N 0.00 0.90 -0.33 1.20 1.02 -1.26 -5.00 119.74 116.28 2nlu s LYS 44 Ca 0.00 -1.00 -0.16 0.00 0.02 0.00 0.00 55.97 54.82 2nlu s LYS 44 Cb 0.00 0.35 -0.01 0.00 -0.52 0.00 0.00 37.83 37.64 2nlu s LYS 44 CO 0.00 -0.30 0.43 0.71 -0.92 0.00 0.00 175.35 175.27 2nlu s TYR 45 N -3.88 3.21 -0.77 3.18 1.51 0.51 -4.94 117.35 116.16 2nlu s TYR 45 Ca 0.07 0.17 -0.26 0.00 -1.01 0.00 0.00 57.07 56.04 2nlu s TYR 45 Cb 0.05 -2.75 0.00 0.00 -0.11 0.00 0.00 41.96 39.15 2nlu s TYR 45 CO -0.09 -0.43 1.62 -1.14 -1.11 0.00 0.00 175.55 174.40 2nlu s GLN 46 N 2.18 2.95 -0.60 -0.62 2.00 -1.26 -0.28 119.66 124.03 2nlu s GLN 46 Ca 0.15 -0.10 -0.25 0.00 -2.00 0.00 0.00 55.36 53.16 2nlu s GLN 46 Cb -0.16 -4.59 0.04 0.00 0.80 0.00 0.00 33.01 29.11 2nlu s GLN 46 CO 0.12 -2.56 1.05 0.08 -0.50 0.00 0.00 175.29 173.48 2nlu s VAL 47 N 7.48 4.19 -0.69 1.34 1.01 0.19 -4.87 120.40 129.06 2nlu s VAL 47 Ca 0.54 0.34 -0.22 0.00 0.00 0.00 0.00 61.98 62.63 2nlu s VAL 47 Cb -0.08 -4.66 0.07 0.00 0.00 0.00 0.00 36.38 31.71 2nlu s VAL 47 CO 0.10 -1.33 1.00 0.12 0.00 0.00 0.00 175.10 174.98 2nlu s PHE 48 N 4.47 2.69 -0.13 5.22 5.36 -1.26 -0.30 117.98 134.03 2nlu s PHE 48 Ca 0.33 -0.61 -0.34 0.00 -0.96 0.00 0.00 56.93 55.35 2nlu s PHE 48 Cb -0.11 -4.31 -0.11 0.00 -0.34 0.00 0.00 43.02 38.15 2nlu s PHE 48 CO 0.19 -1.66 1.96 1.19 -1.46 0.00 0.00 175.22 175.43 2nlu n PHE 49 N 7.69 2.22 0.13 10.12 3.01 0.10 -4.85 117.46 135.88 2nlu n PHE 49 Ca -0.01 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.21 2nlu n PHE 49 Cb 0.46 -2.66 -0.16 0.00 -0.01 0.00 0.00 39.48 37.11 2nlu n PHE 49 CO 0.00 0.00 0.00 0.35 1.01 0.00 0.00 176.76 178.12 2nlu h PHE 50 N 10.22 0.91 0.08 1.38 3.57 -1.94 0.27 116.94 131.43 2nlu h PHE 50 Ca -0.45 -0.67 -0.00 0.00 3.53 0.00 0.00 57.97 60.38 2nlu h PHE 50 Cb 1.27 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.98 2nlu h PHE 50 CO 0.90 1.56 -0.04 0.78 -2.23 0.00 0.00 178.31 179.29 2nlu h GLY 51 N 0.36 -0.11 2.00 2.40 0.00 -1.89 -3.22 103.07 102.61 2nlu h GLY 51 Ca -0.26 0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 2nlu h GLY 51 CO 0.26 -0.04 -0.09 -0.84 0.00 0.00 0.00 176.54 175.83 2nlu h THR 52 N -0.59 0.19 -3.96 4.70 2.02 -1.76 -3.38 112.91 110.12 2nlu h THR 52 Ca -0.01 -0.89 -0.33 0.00 0.77 0.00 0.00 66.41 65.95 2nlu h THR 52 Cb 0.50 1.75 0.06 0.00 -1.74 0.00 0.00 68.15 68.72 2nlu h THR 52 CO 0.02 0.09 -0.51 1.41 0.37 0.00 0.00 175.52 176.89 2nlu n HIS 53 N -3.18 -1.75 -4.52 3.16 -0.00 0.88 -5.01 115.22 104.80 2nlu n HIS 53 Ca 0.01 0.50 -0.24 0.00 -0.00 0.00 0.00 57.72 57.99 2nlu n HIS 53 Cb 0.42 -3.97 -0.10 0.00 -0.00 0.00 0.00 29.99 26.34 2nlu n HIS 53 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 2nlu s GLU 54 N -5.59 1.80 -0.10 -0.41 0.41 -0.86 -4.96 118.70 108.99 2nlu s GLU 54 Ca 0.29 -2.04 0.02 0.00 -0.41 0.00 0.00 54.97 52.83 2nlu s GLU 54 Cb -0.13 -0.99 -0.01 0.00 -1.78 0.00 0.00 34.13 31.22 2nlu s GLU 54 CO 0.36 -0.24 -0.17 0.99 -0.49 0.00 0.00 175.26 175.71 2nlu s THR 55 N -3.16 2.74 0.33 3.63 2.01 -1.26 0.01 115.64 119.94 2nlu s THR 55 Ca 0.31 -0.79 0.06 0.00 0.31 0.00 0.00 61.69 61.58 2nlu s THR 55 Cb 0.07 -2.10 -0.02 0.00 0.01 0.00 0.00 72.50 70.45 2nlu s THR 55 CO 0.15 0.55 0.31 0.00 -0.69 0.00 0.00 174.62 174.93 2nlu n ALA 56 N 3.27 0.55 -3.57 7.40 0.00 0.59 -4.95 120.51 123.80 2nlu n ALA 56 Ca -0.18 -1.86 -0.16 0.00 0.00 0.00 0.00 53.44 51.24 2nlu n ALA 56 Cb 0.53 1.50 -0.16 0.00 0.00 0.00 0.00 19.45 21.32 2nlu n ALA 56 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2nlu s PHE 57 N -3.27 0.21 0.30 0.00 -0.71 -1.26 0.55 117.98 113.81 2nlu s PHE 57 Ca 0.37 0.03 0.04 0.00 -1.04 0.00 0.00 56.93 56.34 2nlu s PHE 57 Cb 0.01 -0.31 -0.03 0.00 -1.21 0.00 0.00 43.02 41.48 2nlu s PHE 57 CO 0.27 -0.10 0.21 -0.51 -1.34 0.00 0.00 175.22 173.76 2nlu s LEU 58 N 0.83 1.62 0.64 -1.99 1.43 0.62 -4.86 118.68 116.96 2nlu s LEU 58 Ca -0.08 -1.64 0.06 0.00 -1.03 0.00 0.00 54.13 51.45 2nlu s LEU 58 Cb -0.11 0.41 0.11 0.00 0.03 0.00 0.00 46.19 46.63 2nlu s LEU 58 CO -0.02 -0.97 0.88 -0.83 0.23 0.00 0.00 176.35 175.64 2nlu s GLY 59 N -3.34 1.72 0.21 -3.19 0.00 -1.26 -0.37 107.32 101.09 2nlu s GLY 59 Ca 0.38 -2.09 -0.10 0.00 0.00 0.00 0.00 44.72 42.92 2nlu s GLY 59 CO 0.22 -1.55 1.87 -0.56 0.00 0.00 0.00 173.10 173.07 2nlu h PRO 60 N -0.11 1.00 -0.03 2.90 0.13 -1.95 -2.25 132.00 131.69 2nlu h PRO 60 Ca -0.31 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2nlu h PRO 60 Cb 1.28 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2nlu h PRO 60 CO 0.39 0.68 0.00 1.63 -0.23 0.00 0.00 178.00 180.47 2nlu n LYS 61 N -4.54 1.27 -0.07 0.86 5.02 -1.26 -2.16 118.16 117.29 2nlu n LYS 61 Ca 0.07 -0.40 0.12 0.00 -2.02 0.00 0.00 58.31 56.08 2nlu n LYS 61 Cb 0.03 -1.43 0.33 0.00 -0.02 0.00 0.00 35.03 33.95 2nlu n LYS 61 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2nlu n ASP 62 N -0.47 2.21 -4.26 4.39 8.00 -0.85 -4.84 116.55 120.74 2nlu n ASP 62 Ca 0.19 -1.76 -0.32 0.00 0.71 0.00 0.00 54.79 53.61 2nlu n ASP 62 Cb 0.19 -0.09 -0.16 0.00 -0.02 0.00 0.00 41.12 41.04 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 -1.75 2.19 0.27 0.64 2.96 -0.92 -4.91 118.68 117.17 2nlu s LEU 63 Ca 0.34 -0.51 0.11 0.00 -0.22 0.00 0.00 54.13 53.86 2nlu s LEU 63 Cb 0.20 -1.44 -0.05 0.00 0.50 0.00 0.00 46.19 45.40 2nlu s LEU 63 CO 0.30 0.18 -0.19 -0.36 -1.32 0.00 0.00 176.35 174.95 2nlu s PHE 64 N 0.24 2.21 1.00 5.38 0.08 -1.26 -5.01 117.98 120.62 2nlu s PHE 64 Ca -0.15 -0.36 -0.14 0.00 0.12 0.00 0.00 56.93 56.40 2nlu s PHE 64 Cb -0.17 -0.97 0.07 0.00 -0.57 0.00 0.00 43.02 41.38 2nlu s PHE 64 CO 0.07 0.66 0.36 -2.30 -0.10 0.00 0.00 175.22 173.92 2nlu n PRO 65 N -0.54 -0.71 0.00 0.24 -0.02 -1.26 -5.03 135.00 127.68 2nlu n PRO 65 Ca -0.06 -0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.25 2nlu n PRO 65 Cb 0.60 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 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 -3.89 0.00 0.06 6.00 9.36 -1.26 -4.43 117.16 123.00 2nlu n TYR 66 Ca 0.05 0.00 0.06 0.00 3.32 0.00 0.00 57.90 61.33 2nlu n TYR 66 Cb 0.56 -0.01 -0.05 0.00 -0.63 0.00 0.00 39.34 39.20 2nlu n TYR 66 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 2nlu n GLU 67 N -1.79 0.62 0.00 2.98 4.07 -1.26 -0.87 120.64 124.39 2nlu n GLU 67 Ca 0.00 0.15 0.14 0.00 -0.06 0.00 0.00 57.16 57.39 2nlu n GLU 67 Cb 0.00 -1.80 0.58 0.00 -0.06 0.00 0.00 31.44 30.16 2nlu n GLU 67 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2nlu n GLU 68 N -2.76 0.01 0.00 5.31 4.71 -1.26 -4.05 120.64 122.60 2nlu n GLU 68 Ca -0.05 0.01 0.00 0.00 -0.01 0.00 0.00 57.16 57.10 2nlu n GLU 68 Cb 0.70 -1.51 0.00 0.00 -1.01 0.00 0.00 31.44 29.62 2nlu n GLU 68 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 2nlu n SER 69 N -1.53 0.00 0.07 1.62 7.64 -1.24 -4.85 113.62 115.33 2nlu n SER 69 Ca 0.07 -0.99 0.18 0.00 1.01 0.00 0.00 58.87 59.14 2nlu n SER 69 Cb 0.34 0.00 0.70 0.00 -1.01 0.00 0.00 64.21 64.24 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 0.00 0.00 1.43 -0.00 -1.15 0.13 116.57 116.98 2nlu h LYS 70 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 60.65 60.55 2nlu h LYS 70 Cb 0.49 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.71 2nlu h LYS 70 CO 0.00 0.00 -0.48 1.05 -0.00 0.00 0.00 179.45 180.02 2nlu h GLU 71 N 0.00 0.00 0.00 0.07 4.11 -1.84 -0.28 114.58 116.64 2nlu h GLU 71 Ca 0.19 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.52 2nlu h GLU 71 Cb 0.79 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 2nlu h GLU 71 CO -0.00 0.48 -0.46 -0.22 0.07 0.00 0.00 179.01 178.87 2nlu h LYS 72 N 0.00 0.00 -0.51 1.06 1.63 -1.09 -1.84 116.57 115.82 2nlu h LYS 72 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2nlu h LYS 72 Cb 0.88 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.51 2nlu h LYS 72 CO 0.06 0.46 0.00 1.19 -3.45 0.00 0.00 179.45 177.72 2nlu n PHE 73 N -3.65 0.67 -1.35 1.91 3.72 -1.07 -4.79 117.46 112.89 2nlu n PHE 73 Ca -0.01 -0.42 -0.39 0.00 -0.05 0.00 0.00 57.45 56.58 2nlu n PHE 73 Cb 0.54 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 39.05 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 1.23 3.64 2.64 1.37 0.00 -0.14 -4.72 105.19 109.20 2nlu n GLY 74 Ca 0.19 -1.38 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 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 3.64 0.63 -0.65 1.61 -2.85 -1.26 -5.01 119.74 115.85 2nlu s LYS 75 Ca 0.53 -1.11 -0.26 0.00 -1.00 0.00 0.00 55.97 54.13 2nlu s LYS 75 Cb 0.14 -1.71 0.04 0.00 -2.06 0.00 0.00 37.83 34.24 2nlu s LYS 75 CO -0.01 -1.06 1.14 -1.25 0.10 0.00 0.00 175.35 174.28 2nlu s PRO 76 N 1.47 3.28 0.60 1.78 0.05 -1.26 -5.01 135.00 135.91 2nlu s PRO 76 Ca 0.12 -0.22 -0.08 0.00 0.05 0.00 0.00 61.00 60.87 2nlu s PRO 76 Cb -0.19 -4.12 -0.01 0.00 0.05 0.00 0.00 34.50 30.23 2nlu s PRO 76 CO -0.20 -1.86 0.96 -0.80 0.05 0.00 0.00 177.00 175.15 2nlu s ASN 77 N 3.38 5.85 -1.48 6.66 -0.87 -1.26 -4.96 114.94 122.26 2nlu s ASN 77 Ca 0.34 1.04 -0.10 0.00 -1.57 0.00 0.00 52.86 52.57 2nlu s ASN 77 Cb -0.10 -2.06 0.02 0.00 -0.02 0.00 0.00 41.25 39.08 2nlu s ASN 77 CO 0.18 -0.99 2.51 1.17 -2.57 0.00 0.00 177.10 177.40 2nlu n LYS 78 N -2.67 3.60 -4.02 -0.60 4.81 -1.26 -4.67 118.16 113.35 2nlu n LYS 78 Ca 0.05 -2.70 -0.35 0.00 -0.87 0.00 0.00 58.31 54.43 2nlu n LYS 78 Cb 0.56 -2.93 -0.12 0.00 0.02 0.00 0.00 35.03 32.56 2nlu n LYS 78 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2nlu s ARG 79 N 1.67 3.68 0.05 1.64 1.81 -1.26 -5.04 118.95 121.49 2nlu s ARG 79 Ca 0.57 -0.49 -0.15 0.00 -1.72 0.00 0.00 55.73 53.94 2nlu s ARG 79 Cb 0.16 -3.14 -0.06 0.00 -0.45 0.00 0.00 34.95 31.46 2nlu s ARG 79 CO -0.07 0.02 1.25 -0.22 -0.68 0.00 0.00 175.30 175.60 2nlu h LYS 80 N 7.48 -0.31 -0.44 3.54 1.63 -1.98 -0.18 116.57 126.31 2nlu h LYS 80 Ca -0.36 0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.42 2nlu h LYS 80 Cb 1.18 0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.85 2nlu h LYS 80 CO 0.62 -0.20 0.09 0.78 -3.45 0.00 0.00 179.45 177.29 2nlu h GLY 81 N -0.32 0.72 1.01 5.01 0.00 -1.96 -1.99 103.07 105.55 2nlu h GLY 81 Ca 0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 2nlu h GLY 81 CO -0.15 0.38 0.44 -2.75 0.00 0.00 0.00 176.54 174.46 2nlu h PHE 82 N 0.65 1.03 -0.26 5.60 3.57 -1.74 0.12 116.94 125.91 2nlu h PHE 82 Ca 0.15 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 2nlu h PHE 82 Cb 0.27 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 2nlu h PHE 82 CO 0.01 0.71 0.02 0.77 -2.23 0.00 0.00 178.31 177.59 2nlu h SER 83 N 1.05 0.43 0.10 0.41 0.02 -0.45 -0.14 113.55 114.97 2nlu h SER 83 Ca 0.27 -0.29 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2nlu h SER 83 Cb -0.00 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.42 2nlu h SER 83 CO -0.05 0.61 -0.06 -0.33 -1.14 0.00 0.00 176.83 175.86 2nlu h GLU 84 N 0.24 -0.16 -0.34 3.45 5.08 -1.07 -0.15 114.58 121.64 2nlu h GLU 84 Ca 0.08 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2nlu h GLU 84 Cb 0.38 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2nlu h GLU 84 CO 0.01 -0.10 0.16 0.78 -1.00 0.00 0.00 179.01 178.85 2nlu h GLY 85 N -0.16 0.53 0.99 -3.84 0.00 -0.74 -0.11 103.07 99.74 2nlu h GLY 85 Ca -0.01 -0.27 -0.05 0.00 0.00 0.00 0.00 47.33 47.00 2nlu h GLY 85 CO 0.00 0.26 0.13 -2.00 0.00 0.00 0.00 176.54 174.93 2nlu h LEU 86 N 0.41 0.81 -0.08 3.11 6.46 -0.91 -2.09 115.31 123.02 2nlu h LEU 86 Ca 0.12 -0.23 -0.02 0.00 -0.12 0.00 0.00 57.88 57.62 2nlu h LEU 86 Cb 0.13 -0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 39.85 2nlu h LEU 86 CO -0.01 0.83 -0.05 -0.25 -0.62 0.00 0.00 178.44 178.34 2nlu h TRP 87 N 0.75 0.20 0.00 1.25 2.91 -0.88 -0.38 115.95 119.80 2nlu h TRP 87 Ca 0.17 -0.05 -0.00 0.00 1.13 0.00 0.00 58.89 60.13 2nlu h TRP 87 Cb 0.33 -0.05 -0.00 0.00 -0.51 0.00 0.00 29.16 28.94 2nlu h TRP 87 CO 0.02 0.55 -0.02 1.49 -1.03 0.00 0.00 178.44 179.46 2nlu h GLU 88 N -0.21 0.00 0.14 2.65 4.57 -0.96 0.33 114.58 121.10 2nlu h GLU 88 Ca 0.02 0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 57.90 2nlu h GLU 88 Cb 0.51 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 2nlu h GLU 88 CO 0.01 0.02 -1.42 0.82 -1.18 0.00 0.00 179.01 177.26 2nlu h ILE 89 N 0.00 1.29 -0.01 2.32 5.03 -1.16 -2.95 117.51 122.03 2nlu h ILE 89 Ca -0.00 -2.88 -0.10 0.00 -0.12 0.00 0.00 64.86 61.75 2nlu h ILE 89 Cb 0.04 2.86 0.01 0.00 -3.03 0.00 0.00 36.82 36.70 2nlu h ILE 89 CO 0.00 0.85 -0.40 -0.08 -0.68 0.00 0.00 178.15 177.84 2nlu h GLU 90 N 0.08 0.29 -0.31 2.37 4.57 0.49 -3.25 114.58 118.83 2nlu h GLU 90 Ca -0.21 -0.30 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 2nlu h GLU 90 Cb 2.02 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 30.69 2nlu h GLU 90 CO 0.19 0.99 0.00 0.27 -1.18 0.00 0.00 179.01 179.28 2nlu n ASN 91 N -4.38 1.59 -4.72 1.04 2.04 0.99 -4.91 115.26 106.92 2nlu n ASN 91 Ca -0.10 -2.01 -0.42 0.00 -0.44 0.00 0.00 54.58 51.61 2nlu n ASN 91 Cb 0.57 -0.21 -0.03 0.00 -2.53 0.00 0.00 39.78 37.59 2nlu n ASN 91 CO 0.00 0.00 0.00 0.21 -0.44 0.00 0.00 177.26 177.03 2nlu s ASN 92 N -0.98 6.55 1.04 0.53 2.47 -1.11 -4.96 114.94 118.47 2nlu s ASN 92 Ca 0.19 2.65 -0.15 0.00 0.42 0.00 0.00 52.86 55.98 2nlu s ASN 92 Cb 0.10 -2.59 0.10 0.00 -1.45 0.00 0.00 41.25 37.41 2nlu s ASN 92 CO 0.13 -0.86 0.37 -2.65 -3.72 0.00 0.00 177.10 170.38 2nlu n PRO 93 N 4.16 -1.04 -1.85 0.43 -0.02 -1.26 -4.80 135.00 130.62 2nlu n PRO 93 Ca 0.14 -0.27 -0.41 0.00 -2.02 0.00 0.00 63.50 60.95 2nlu n PRO 93 Cb 0.38 -1.87 -0.03 0.00 -0.02 0.00 0.00 33.50 31.96 2nlu n PRO 93 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 2nlu s THR 94 N -2.36 3.27 -0.25 3.45 -1.32 -1.26 -4.94 115.64 112.23 2nlu s THR 94 Ca 0.59 0.24 -0.02 0.00 -1.21 0.00 0.00 61.69 61.28 2nlu s THR 94 Cb -0.18 -3.47 0.02 0.00 -1.51 0.00 0.00 72.50 67.36 2nlu s THR 94 CO 0.66 -0.37 -0.06 0.68 -2.21 0.00 0.00 174.62 173.32 2nlu s VAL 95 N 8.70 2.97 -1.32 5.08 -7.23 -1.26 -5.03 120.40 122.30 2nlu s VAL 95 Ca 0.84 -0.94 -0.15 0.00 -1.81 0.00 0.00 61.98 59.92 2nlu s VAL 95 Cb -0.21 -2.48 0.09 0.00 0.56 0.00 0.00 36.38 34.34 2nlu s VAL 95 CO 0.29 0.23 1.81 1.17 -0.31 0.00 0.00 175.10 178.29 2nlu n LYS 96 N 4.69 3.19 0.00 4.82 4.81 -1.26 -4.69 118.16 129.73 2nlu n LYS 96 Ca -0.17 -3.25 0.00 0.00 -0.87 0.00 0.00 58.31 54.02 2nlu n LYS 96 Cb 0.48 -3.31 0.00 0.00 0.02 0.00 0.00 35.03 32.21 2nlu n LYS 96 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2nlu n ALA 97 N 6.92 0.00 0.00 3.14 0.00 -1.26 -2.04 120.51 127.27 2nlu n ALA 97 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.91 2nlu n ALA 97 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 1.80 0.00 -0.99 0.00 2.88 -1.26 -5.16 113.62 110.89 2nlu n SER 98 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2nlu n SER 98 Cb 0.00 0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 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 0.75 0.89 0.61 0.46 0.00 -0.87 -5.07 105.19 101.97 2nlu n GLY 99 Ca 0.00 -0.86 0.13 0.00 0.00 0.00 0.00 46.02 45.29 2nlu n GLY 99 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60