#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 0.61 -4.26 7.83 7.64 -1.26 -4.88 113.62 119.30 2nlu n SER 2 Ca 0.00 -0.13 -0.16 0.00 1.01 0.00 0.00 58.87 59.59 2nlu n SER 2 Cb 0.00 0.36 -0.10 0.00 -1.01 0.00 0.00 64.21 63.46 2nlu n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2nlu s ARG 3 N -3.10 1.08 0.20 1.43 1.70 -1.26 -5.15 118.95 113.86 2nlu s ARG 3 Ca 0.08 -1.40 -0.16 0.00 -0.47 0.00 0.00 55.73 53.77 2nlu s ARG 3 Cb 0.15 -0.77 -0.08 0.00 -0.57 0.00 0.00 34.95 33.69 2nlu s ARG 3 CO 0.73 0.12 0.64 0.45 -1.08 0.00 0.00 175.30 176.16 2nlu s SER 4 N -2.98 6.89 -0.23 -2.89 0.15 -1.26 -5.05 113.70 108.34 2nlu s SER 4 Ca 0.15 1.22 -0.17 0.00 0.70 0.00 0.00 55.95 57.85 2nlu s SER 4 Cb -0.00 -2.34 -0.03 0.00 -1.71 0.00 0.00 66.02 61.93 2nlu s SER 4 CO 0.02 0.03 0.45 0.21 1.20 0.00 0.00 173.24 175.15 2nlu s ASN 5 N -1.81 6.44 -0.22 5.45 3.84 -1.26 -5.02 114.94 122.35 2nlu s ASN 5 Ca 0.42 0.52 -0.29 0.00 0.21 0.00 0.00 52.86 53.72 2nlu s ASN 5 Cb -0.15 -2.25 -0.02 0.00 -0.55 0.00 0.00 41.25 38.27 2nlu s ASN 5 CO 0.20 -0.17 1.59 -0.13 -2.79 0.00 0.00 177.10 175.80 2nlu s ARG 6 N 1.73 3.82 0.08 0.43 0.52 -1.26 -4.97 118.95 119.31 2nlu s ARG 6 Ca 0.20 1.64 -0.22 0.00 -0.52 0.00 0.00 55.73 56.83 2nlu s ARG 6 Cb -0.15 -4.02 -0.07 0.00 0.52 0.00 0.00 34.95 31.23 2nlu s ARG 6 CO 0.09 -1.26 0.67 -1.14 0.02 0.00 0.00 175.30 173.68 2nlu s GLN 7 N 4.60 4.39 -0.21 3.54 0.74 -1.26 -5.02 119.66 126.44 2nlu s GLN 7 Ca 0.70 0.92 -0.29 0.00 0.05 0.00 0.00 55.36 56.74 2nlu s GLN 7 Cb -0.24 -3.29 -0.00 0.00 1.10 0.00 0.00 33.01 30.57 2nlu s GLN 7 CO 0.28 0.50 1.18 0.21 -0.55 0.00 0.00 175.29 176.91 2nlu s LYS 8 N -0.74 4.21 0.17 1.67 2.47 -1.26 -4.82 119.74 121.44 2nlu s LYS 8 Ca 0.33 1.50 0.00 0.00 -1.56 0.00 0.00 55.97 56.24 2nlu s LYS 8 Cb -0.20 -3.73 0.00 0.00 -1.46 0.00 0.00 37.83 32.44 2nlu s LYS 8 CO 0.21 -0.72 0.00 0.39 0.16 0.00 0.00 175.35 175.39 2nlu n GLU 9 N 6.58 -1.07 -4.57 4.03 1.02 -1.26 -5.03 120.64 120.34 2nlu n GLU 9 Ca 0.13 0.81 -0.26 0.00 -0.02 0.00 0.00 57.16 57.82 2nlu n GLU 9 Cb 0.45 -1.28 -0.11 0.00 -0.02 0.00 0.00 31.44 30.49 2nlu n GLU 9 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2nlu s TYR 10 N -2.53 2.38 -0.06 -0.32 2.02 -1.26 -5.14 117.35 112.42 2nlu s TYR 10 Ca 0.00 -0.69 0.02 0.00 -0.37 0.00 0.00 57.07 56.03 2nlu s TYR 10 Cb 0.00 -1.59 -0.03 0.00 -0.40 0.00 0.00 41.96 39.94 2nlu s TYR 10 CO 0.00 0.39 -0.10 0.15 -1.57 0.00 0.00 175.55 174.42 2nlu s LYS 11 N -3.72 2.67 -0.50 -0.62 3.01 -1.26 -4.95 119.74 114.37 2nlu s LYS 11 Ca 0.34 -0.61 -0.39 0.00 -1.01 0.00 0.00 55.97 54.31 2nlu s LYS 11 Cb 0.08 -2.51 -0.18 0.00 -1.01 0.00 0.00 37.83 34.22 2nlu s LYS 11 CO 0.17 0.63 1.99 0.00 0.51 0.00 0.00 175.35 178.66 2nlu n GLY 13 N 6.72 1.67 3.77 0.00 0.00 0.22 -4.99 105.19 112.58 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 -1.48 6.37 -0.07 1.61 1.01 0.51 -4.65 116.67 119.97 2nlu s ASP 14 Ca 0.00 3.00 -0.14 0.00 0.71 0.00 0.00 52.55 56.13 2nlu s ASP 14 Cb 0.00 -2.66 -0.05 0.00 1.01 0.00 0.00 42.92 41.22 2nlu s ASP 14 CO 0.00 -0.88 0.35 -0.22 0.21 0.00 0.00 175.17 174.63 2nlu s LEU 15 N -1.55 4.39 -0.00 1.23 1.98 -1.26 -0.28 118.68 123.18 2nlu s LEU 15 Ca 0.56 0.77 -0.26 0.00 -2.89 0.00 0.00 54.13 52.32 2nlu s LEU 15 Cb -0.47 -2.47 0.06 0.00 0.66 0.00 0.00 46.19 43.97 2nlu s LEU 15 CO 0.58 0.26 0.57 0.54 -1.89 0.00 0.00 176.35 176.41 2nlu s VAL 16 N -0.56 0.02 -0.20 1.68 0.11 -0.60 -4.97 120.40 115.88 2nlu s VAL 16 Ca 0.21 -0.14 -0.26 0.00 -2.93 0.00 0.00 61.98 58.86 2nlu s VAL 16 Cb -0.15 -0.94 -0.01 0.00 -1.53 0.00 0.00 36.38 33.75 2nlu s VAL 16 CO 0.10 -0.08 0.89 -0.36 -3.33 0.00 0.00 175.10 172.32 2nlu s PHE 17 N -1.78 3.38 0.35 1.54 0.08 -1.26 -0.66 117.98 119.63 2nlu s PHE 17 Ca -0.09 1.30 0.07 0.00 0.12 0.00 0.00 56.93 58.33 2nlu s PHE 17 Cb -0.01 -3.09 -0.02 0.00 -0.57 0.00 0.00 43.02 39.33 2nlu s PHE 17 CO 0.04 -0.33 0.40 0.00 -0.10 0.00 0.00 175.22 175.23 2nlu s ALA 18 N 2.54 4.09 -0.04 5.36 0.00 0.85 -4.88 121.76 129.67 2nlu s ALA 18 Ca 0.39 -1.58 0.02 0.00 0.00 0.00 0.00 51.96 50.79 2nlu s ALA 18 Cb -0.16 -1.43 0.01 0.00 0.00 0.00 0.00 23.12 21.55 2nlu s ALA 18 CO 0.10 -0.05 -0.09 0.21 0.00 0.00 0.00 175.76 175.94 2nlu s LYS 19 N -4.11 1.14 0.28 0.00 2.20 -1.26 -1.50 119.74 116.48 2nlu s LYS 19 Ca 0.44 -0.27 0.09 0.00 -0.36 0.00 0.00 55.97 55.87 2nlu s LYS 19 Cb -0.08 -1.03 -0.04 0.00 -1.51 0.00 0.00 37.83 35.17 2nlu s LYS 19 CO 0.29 0.03 0.06 1.41 -0.36 0.00 0.00 175.35 176.77 2nlu s MET 20 N 0.56 2.41 -0.15 4.03 -2.45 -0.87 -5.02 119.30 117.80 2nlu s MET 20 Ca -0.09 -1.38 -0.29 0.00 -1.25 0.00 0.00 55.69 52.67 2nlu s MET 20 Cb -0.13 -2.23 -0.04 0.00 1.25 0.00 0.00 34.83 33.68 2nlu s MET 20 CO 0.01 0.32 1.74 0.21 1.05 0.00 0.00 175.02 178.35 2nlu s LYS 21 N -3.73 3.85 0.00 4.11 2.20 -1.26 -1.45 119.74 123.45 2nlu s LYS 21 Ca 0.33 1.94 0.00 0.00 -0.36 0.00 0.00 55.97 57.88 2nlu s LYS 21 Cb -0.06 -4.08 0.00 0.00 -1.51 0.00 0.00 37.83 32.18 2nlu s LYS 21 CO 0.21 -1.24 0.00 0.41 -0.36 0.00 0.00 175.35 174.37 2nlu n GLY 22 N 4.65 1.04 3.02 5.54 0.00 -1.26 -5.03 105.19 113.15 2nlu n GLY 22 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.57 2.00 0.00 1.61 1.51 -0.53 -5.09 117.35 114.29 2nlu s TYR 23 Ca 0.00 -1.04 0.00 0.00 -1.01 0.00 0.00 57.07 55.02 2nlu s TYR 23 Cb 0.00 -1.48 0.00 0.00 -0.11 0.00 0.00 41.96 40.37 2nlu s TYR 23 CO 0.00 -0.58 0.31 -2.30 -1.11 0.00 0.00 175.55 171.87 2nlu n PRO 24 N 4.58 0.00 -3.73 -1.71 -0.02 -1.26 -2.06 135.00 130.80 2nlu n PRO 24 Ca -0.17 0.08 -0.13 0.00 -2.02 0.00 0.00 63.50 61.26 2nlu n PRO 24 Cb 0.50 -0.81 -0.10 0.00 -0.02 0.00 0.00 33.50 33.07 2nlu n PRO 24 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2nlu s HIS 25 N -0.62 -0.46 0.00 6.00 3.76 -1.26 -4.33 115.29 118.38 2nlu s HIS 25 Ca 0.00 1.09 -0.04 0.00 -0.15 0.00 0.00 55.06 55.96 2nlu s HIS 25 Cb 0.00 0.17 -0.01 0.00 1.11 0.00 0.00 32.58 33.85 2nlu s HIS 25 CO 0.00 -0.23 0.06 -1.58 -0.85 0.00 0.00 174.74 172.14 2nlu s TRP 26 N 0.47 0.09 -0.17 1.40 0.51 -0.57 -4.96 118.94 115.72 2nlu s TRP 26 Ca -0.02 -0.20 -0.29 0.00 -2.12 0.00 0.00 56.10 53.47 2nlu s TRP 26 Cb -0.04 -0.08 -0.05 0.00 -0.81 0.00 0.00 33.47 32.49 2nlu s TRP 26 CO -0.02 -0.20 1.88 -1.25 -0.51 0.00 0.00 176.95 176.84 2nlu s PRO 27 N -1.10 3.64 0.04 4.98 0.04 -1.26 -0.10 135.00 141.24 2nlu s PRO 27 Ca -0.12 1.95 0.08 0.00 0.04 0.00 0.00 61.00 62.95 2nlu s PRO 27 Cb -0.07 -4.17 -0.03 0.00 0.04 0.00 0.00 34.50 30.27 2nlu s PRO 27 CO 0.00 -1.50 -0.23 0.00 0.04 0.00 0.00 177.00 175.32 2nlu s ALA 28 N 6.06 1.95 -0.03 8.56 0.00 0.17 -4.91 121.76 133.55 2nlu s ALA 28 Ca 0.84 -1.14 -0.22 0.00 0.00 0.00 0.00 51.96 51.44 2nlu s ALA 28 Cb -0.31 -0.40 -0.05 0.00 0.00 0.00 0.00 23.12 22.37 2nlu s ALA 28 CO 0.34 0.45 0.65 0.50 0.00 0.00 0.00 175.76 177.70 2nlu s ARG 29 N -1.18 4.40 0.11 0.00 3.52 -1.26 -1.55 118.95 122.98 2nlu s ARG 29 Ca 0.09 0.82 -0.29 0.00 -0.13 0.00 0.00 55.73 56.22 2nlu s ARG 29 Cb -0.09 -3.40 -0.06 0.00 -1.56 0.00 0.00 34.95 29.84 2nlu s ARG 29 CO 0.02 0.21 0.90 -1.50 -0.81 0.00 0.00 175.30 174.12 2nlu s ILE 30 N 0.32 4.51 -0.06 4.11 -1.16 0.61 -4.94 121.20 124.59 2nlu s ILE 30 Ca 0.34 1.95 -0.00 0.00 -0.51 0.00 0.00 60.65 62.43 2nlu s ILE 30 Cb -0.18 -4.27 0.03 0.00 0.61 0.00 0.00 42.46 38.65 2nlu s ILE 30 CO 0.18 0.36 -0.01 -0.62 -2.81 0.00 0.00 174.94 172.03 2nlu s ASP 31 N -0.19 1.19 0.17 4.50 2.15 -1.26 -0.61 116.67 122.62 2nlu s ASP 31 Ca 0.44 -0.09 0.07 0.00 0.43 0.00 0.00 52.55 53.40 2nlu s ASP 31 Cb -0.23 -0.41 -0.04 0.00 -0.30 0.00 0.00 42.92 41.94 2nlu s ASP 31 CO 0.28 -0.13 -0.03 -1.83 -0.17 0.00 0.00 175.17 173.29 2nlu s GLU 32 N 1.47 2.32 -0.11 4.34 -1.05 -1.26 -4.98 118.70 119.43 2nlu s GLU 32 Ca -0.03 -1.12 -0.15 0.00 -0.15 0.00 0.00 54.97 53.52 2nlu s GLU 32 Cb -0.13 -2.32 -0.05 0.00 -0.44 0.00 0.00 34.13 31.19 2nlu s GLU 32 CO -0.03 0.46 0.38 -1.64 0.95 0.00 0.00 175.26 175.38 2nlu s MET 33 N -2.84 4.20 0.53 -4.83 -1.94 -1.26 -4.94 119.30 108.22 2nlu s MET 33 Ca 0.26 0.28 0.29 0.00 -1.71 0.00 0.00 55.69 54.81 2nlu s MET 33 Cb -0.09 -3.39 1.48 0.00 2.01 0.00 0.00 34.83 34.84 2nlu s MET 33 CO 0.17 0.31 2.07 -1.35 -0.01 0.00 0.00 175.02 176.21 2nlu h PRO 34 N 6.29 0.00 -4.06 2.03 0.11 -1.98 -3.48 132.00 130.89 2nlu h PRO 34 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2nlu h PRO 34 Cb 1.18 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 2nlu h PRO 34 CO 0.73 0.11 -0.66 -1.91 -0.21 0.00 0.00 178.00 176.05 2nlu n GLU 35 N -3.52 -2.08 0.01 1.05 2.13 -1.26 -4.98 120.64 111.99 2nlu n GLU 35 Ca -0.01 1.85 0.11 0.00 0.66 0.00 0.00 57.16 59.76 2nlu n GLU 35 Cb 0.25 -3.20 -0.11 0.00 0.27 0.00 0.00 31.44 28.65 2nlu n GLU 35 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2nlu n ALA 36 N 0.60 3.20 0.03 4.31 0.00 -1.26 -4.89 120.51 122.50 2nlu n ALA 36 Ca -0.10 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.86 2nlu n ALA 36 Cb 0.16 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 -2.05 0.00 -2.44 0.00 0.00 -1.26 -5.14 120.51 109.62 2nlu n ALA 37 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.16 2nlu n ALA 37 Cb 0.50 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.83 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 -2.00 2.11 0.00 0.00 0.11 -1.26 -5.11 120.40 114.25 2nlu s VAL 38 Ca 0.00 -1.75 0.00 0.00 -2.93 0.00 0.00 61.98 57.30 2nlu s VAL 38 Cb 0.00 -1.90 0.00 0.00 -1.53 0.00 0.00 36.38 32.95 2nlu s VAL 38 CO 0.00 -0.00 0.00 0.29 -3.33 0.00 0.00 175.10 172.06 2nlu n LYS 39 N 0.83 0.00 -0.55 1.54 4.76 -1.26 -4.55 118.16 118.93 2nlu n LYS 39 Ca -0.17 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.26 2nlu n LYS 39 Cb 0.54 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.72 2nlu n LYS 39 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2nlu n SER 40 N 0.00 -0.15 -3.72 4.39 3.41 -1.26 -5.00 113.62 111.29 2nlu n SER 40 Ca 0.00 -0.30 -0.14 0.00 -0.26 0.00 0.00 58.87 58.17 2nlu n SER 40 Cb 0.00 0.04 -0.08 0.00 -0.26 0.00 0.00 64.21 63.91 2nlu n SER 40 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2nlu s THR 41 N 0.00 0.04 -0.43 6.66 -1.32 -1.26 -5.04 115.64 114.29 2nlu s THR 41 Ca 0.00 -0.36 -0.26 0.00 -1.21 0.00 0.00 61.69 59.87 2nlu s THR 41 Cb 0.00 -0.68 0.04 0.00 -1.51 0.00 0.00 72.50 70.35 2nlu s THR 41 CO 0.00 -0.20 0.62 0.00 -2.21 0.00 0.00 174.62 172.83 2nlu n ALA 42 N 1.33 -2.71 -0.21 11.08 0.00 -1.26 -4.95 120.51 123.79 2nlu n ALA 42 Ca -0.20 0.82 0.02 0.00 0.00 0.00 0.00 53.44 54.08 2nlu n ALA 42 Cb 0.56 -3.12 0.03 0.00 0.00 0.00 0.00 19.45 16.92 2nlu n ALA 42 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2nlu n ASN 43 N -0.23 2.07 -4.86 0.00 5.03 -1.26 -5.04 115.26 110.97 2nlu n ASN 43 Ca 0.03 -2.22 -0.32 0.00 0.87 0.00 0.00 54.58 52.94 2nlu n ASN 43 Cb 0.55 -0.09 -0.06 0.00 -1.02 0.00 0.00 39.78 39.17 2nlu n ASN 43 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2nlu s LYS 44 N -1.37 3.90 0.48 3.52 1.02 -1.26 -4.61 119.74 121.41 2nlu s LYS 44 Ca 0.06 0.45 0.06 0.00 0.02 0.00 0.00 55.97 56.57 2nlu s LYS 44 Cb 0.06 -2.58 -0.01 0.00 -0.52 0.00 0.00 37.83 34.77 2nlu s LYS 44 CO 0.01 0.27 0.28 0.71 -0.92 0.00 0.00 175.35 175.69 2nlu s TYR 45 N -1.85 2.14 -0.06 3.18 2.02 0.42 -4.90 117.35 118.29 2nlu s TYR 45 Ca 0.49 -0.72 -0.23 0.00 -0.37 0.00 0.00 57.07 56.24 2nlu s TYR 45 Cb -0.11 -1.93 -0.04 0.00 -0.40 0.00 0.00 41.96 39.48 2nlu s TYR 45 CO 0.20 -0.12 0.70 -1.14 -1.57 0.00 0.00 175.55 173.61 2nlu s GLN 46 N -4.09 4.44 -0.19 -0.62 0.74 -1.26 -1.27 119.66 117.41 2nlu s GLN 46 Ca 0.35 0.88 0.00 0.00 0.05 0.00 0.00 55.36 56.64 2nlu s GLN 46 Cb 0.00 -3.44 0.05 0.00 1.10 0.00 0.00 33.01 30.71 2nlu s GLN 46 CO 0.20 0.07 -0.07 0.08 -0.55 0.00 0.00 175.29 175.03 2nlu s VAL 47 N 0.77 1.34 -0.32 1.34 1.01 0.85 -4.90 120.40 120.49 2nlu s VAL 47 Ca 0.37 -0.86 -0.13 0.00 0.00 0.00 0.00 61.98 61.36 2nlu s VAL 47 Cb -0.18 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 2nlu s VAL 47 CO 0.18 0.09 0.28 0.12 0.00 0.00 0.00 175.10 175.76 2nlu s PHE 48 N 1.52 3.22 -0.48 5.22 5.36 -1.26 -1.17 117.98 130.39 2nlu s PHE 48 Ca -0.01 -0.03 -0.29 0.00 -0.96 0.00 0.00 56.93 55.64 2nlu s PHE 48 Cb -0.16 -2.52 0.03 0.00 -0.34 0.00 0.00 43.02 40.02 2nlu s PHE 48 CO -0.08 -0.33 1.19 -0.06 -1.46 0.00 0.00 175.22 174.48 2nlu s PHE 49 N 1.85 2.73 -0.03 10.12 0.40 0.19 -4.91 117.98 128.33 2nlu s PHE 49 Ca 0.09 0.68 -0.25 0.00 -0.60 0.00 0.00 56.93 56.84 2nlu s PHE 49 Cb -0.17 -4.44 -0.19 0.00 0.51 0.00 0.00 43.02 38.73 2nlu s PHE 49 CO 0.11 -1.41 1.15 0.74 0.70 0.00 0.00 175.22 176.51 2nlu h PHE 50 N 9.49 -0.08 -0.58 0.36 0.04 -1.93 0.82 116.94 125.07 2nlu h PHE 50 Ca -0.24 -0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.49 2nlu h PHE 50 Cb 1.07 0.03 -0.02 0.00 2.20 0.00 0.00 35.95 39.22 2nlu h PHE 50 CO 0.98 0.41 0.20 0.78 -0.60 0.00 0.00 178.31 180.09 2nlu h GLY 51 N -0.63 0.95 1.54 -1.45 0.00 -1.84 -2.08 103.07 99.56 2nlu h GLY 51 Ca -0.01 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.78 2nlu h GLY 51 CO 0.02 0.51 -0.28 2.41 0.00 0.00 0.00 176.54 179.20 2nlu n THR 52 N -4.45 0.20 -1.85 4.70 -1.04 -1.25 -4.57 114.28 106.01 2nlu n THR 52 Ca 0.03 -0.12 -0.18 0.00 -2.04 0.00 0.00 64.05 61.74 2nlu n THR 52 Cb 0.19 -0.23 -0.05 0.00 -1.82 0.00 0.00 70.33 68.42 2nlu n THR 52 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2nlu n HIS 53 N -1.79 -0.34 -4.28 -1.42 -0.00 0.17 -4.98 115.22 102.58 2nlu n HIS 53 Ca 0.05 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.46 2nlu n HIS 53 Cb 0.38 -3.23 -0.09 0.00 -0.00 0.00 0.00 29.99 27.04 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 -4.07 2.49 -0.22 -0.41 0.41 -0.55 -4.94 118.70 111.42 2nlu s GLU 54 Ca 0.00 -0.81 -0.04 0.00 -0.41 0.00 0.00 54.97 53.71 2nlu s GLU 54 Cb 0.00 -2.49 -0.01 0.00 -1.78 0.00 0.00 34.13 29.84 2nlu s GLU 54 CO 0.00 0.57 -0.02 0.99 -0.49 0.00 0.00 175.26 176.30 2nlu s THR 55 N -1.15 3.58 0.28 3.63 2.01 -1.26 0.56 115.64 123.28 2nlu s THR 55 Ca 0.21 -0.43 0.06 0.00 0.31 0.00 0.00 61.69 61.84 2nlu s THR 55 Cb -0.11 -2.63 -0.02 0.00 0.01 0.00 0.00 72.50 69.75 2nlu s THR 55 CO 0.13 0.42 0.22 0.00 -0.69 0.00 0.00 174.62 174.69 2nlu n ALA 56 N 4.67 0.58 -2.99 7.40 0.00 -0.32 -4.99 120.51 124.86 2nlu n ALA 56 Ca -0.18 -1.62 -0.22 0.00 0.00 0.00 0.00 53.44 51.42 2nlu n ALA 56 Cb 0.51 1.28 -0.16 0.00 0.00 0.00 0.00 19.45 21.09 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 -3.08 1.23 0.07 0.00 -0.71 -1.26 -0.10 117.98 114.12 2nlu s PHE 57 Ca 0.31 -0.33 -0.01 0.00 -1.04 0.00 0.00 56.93 55.86 2nlu s PHE 57 Cb 0.02 -0.86 -0.04 0.00 -1.21 0.00 0.00 43.02 40.93 2nlu s PHE 57 CO 0.22 -0.12 -0.00 -0.51 -1.34 0.00 0.00 175.22 173.46 2nlu s LEU 58 N 0.14 2.29 0.52 -1.99 1.43 -0.39 -4.90 118.68 115.78 2nlu s LEU 58 Ca -0.03 -1.04 0.08 0.00 -1.03 0.00 0.00 54.13 52.11 2nlu s LEU 58 Cb -0.10 0.25 0.06 0.00 0.03 0.00 0.00 46.19 46.43 2nlu s LEU 58 CO 0.01 -0.63 0.71 -0.83 0.23 0.00 0.00 176.35 175.84 2nlu s GLY 59 N -2.95 1.82 0.33 -3.19 0.00 -1.26 -0.44 107.32 101.63 2nlu s GLY 59 Ca 0.11 -1.92 0.06 0.00 0.00 0.00 0.00 44.72 42.97 2nlu s GLY 59 CO -0.07 -1.57 1.87 -0.56 0.00 0.00 0.00 173.10 172.76 2nlu h PRO 60 N 0.33 0.77 0.00 2.90 0.13 -1.90 0.06 132.00 134.29 2nlu h PRO 60 Ca -0.34 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2nlu h PRO 60 Cb 1.28 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2nlu h PRO 60 CO 0.43 0.51 0.00 0.36 -0.23 0.00 0.00 178.00 179.06 2nlu n LYS 61 N -4.57 0.20 -0.26 0.86 2.85 -1.26 -2.14 118.16 113.84 2nlu n LYS 61 Ca 0.17 0.43 0.07 0.00 -1.05 0.00 0.00 58.31 57.93 2nlu n LYS 61 Cb 0.42 -1.89 0.19 0.00 -0.65 0.00 0.00 35.03 33.10 2nlu n LYS 61 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2nlu n ASP 62 N -2.27 3.26 -3.68 -5.58 8.00 -0.01 -4.92 116.55 111.35 2nlu n ASP 62 Ca 0.02 -2.22 -0.22 0.00 0.71 0.00 0.00 54.79 53.08 2nlu n ASP 62 Cb 0.24 -0.32 -0.18 0.00 -0.02 0.00 0.00 41.12 40.83 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 -1.40 0.29 -0.20 0.64 2.96 -0.91 -4.83 118.68 115.24 2nlu s LEU 63 Ca 0.30 -0.07 -0.04 0.00 -0.22 0.00 0.00 54.13 54.10 2nlu s LEU 63 Cb 0.18 -0.23 -0.02 0.00 0.50 0.00 0.00 46.19 46.63 2nlu s LEU 63 CO 0.16 -0.25 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.53 2nlu s PHE 64 N 2.12 2.96 0.55 5.38 0.08 -1.26 -4.88 117.98 122.93 2nlu s PHE 64 Ca 0.04 -0.70 -0.21 0.00 0.12 0.00 0.00 56.93 56.18 2nlu s PHE 64 Cb -0.13 -2.05 -0.05 0.00 -0.57 0.00 0.00 43.02 40.22 2nlu s PHE 64 CO -0.04 -0.36 1.23 -2.30 -0.10 0.00 0.00 175.22 173.64 2nlu n PRO 65 N 4.33 1.45 0.22 0.24 -0.02 -1.26 -4.80 135.00 135.17 2nlu n PRO 65 Ca -0.18 0.54 -0.09 0.00 -2.02 0.00 0.00 63.50 61.75 2nlu n PRO 65 Cb 0.52 -2.42 -0.04 0.00 -0.02 0.00 0.00 33.50 31.53 2nlu n PRO 65 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 2nlu h TYR 66 N 1.20 -0.52 -0.00 6.00 3.20 -1.98 0.30 116.97 125.16 2nlu h TYR 66 Ca -0.50 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.36 2nlu h TYR 66 Cb 1.32 0.17 -0.00 0.00 1.54 0.00 0.00 36.73 39.77 2nlu h TYR 66 CO 0.43 -0.32 0.05 0.93 -1.64 0.00 0.00 178.16 177.60 2nlu h GLU 67 N -0.63 0.00 0.06 1.82 4.39 -1.99 0.66 114.58 118.89 2nlu h GLU 67 Ca -0.06 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.42 2nlu h GLU 67 Cb 0.43 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 2nlu h GLU 67 CO 0.09 0.00 -1.19 1.49 -1.16 0.00 0.00 179.01 178.25 2nlu h GLU 68 N 0.00 0.14 0.00 2.33 4.57 -1.90 -3.42 114.58 116.29 2nlu h GLU 68 Ca 0.00 -0.23 -0.00 0.00 -1.18 0.00 0.00 59.36 57.95 2nlu h GLU 68 Cb 0.09 0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.77 2nlu h GLU 68 CO -0.00 1.11 -1.67 0.43 -1.18 0.00 0.00 179.01 177.70 2nlu n SER 69 N -4.16 1.67 -0.30 1.04 7.64 0.10 -4.55 113.62 115.07 2nlu n SER 69 Ca -0.25 0.00 0.29 0.00 1.01 0.00 0.00 58.87 59.92 2nlu n SER 69 Cb 0.78 1.66 0.65 0.00 -1.01 0.00 0.00 64.21 66.29 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 0.16 -0.19 1.43 2.10 0.18 -1.08 116.57 119.16 2nlu h LYS 70 Ca -0.00 -0.01 -0.20 0.00 -2.00 0.00 0.00 60.65 58.43 2nlu h LYS 70 Cb 0.68 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.98 2nlu h LYS 70 CO 0.00 0.10 -0.69 1.05 -2.00 0.00 0.00 179.45 177.91 2nlu h GLU 71 N 0.16 0.75 0.00 0.07 4.11 -1.80 -3.14 114.58 114.74 2nlu h GLU 71 Ca 0.56 -0.56 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2nlu h GLU 71 Cb 1.89 0.10 0.00 0.00 0.50 0.00 0.00 28.75 31.24 2nlu h GLU 71 CO -0.13 1.18 -0.52 1.63 0.07 0.00 0.00 179.01 181.24 2nlu n LYS 72 N -3.95 0.30 -0.47 1.06 5.02 -0.81 -4.74 118.16 114.57 2nlu n LYS 72 Ca -0.06 0.17 0.06 0.00 -2.02 0.00 0.00 58.31 56.47 2nlu n LYS 72 Cb 0.70 -1.08 0.19 0.00 -0.02 0.00 0.00 35.03 34.82 2nlu n LYS 72 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 2nlu n PHE 73 N -3.62 0.15 0.53 2.13 -1.74 -0.88 -4.59 117.46 109.44 2nlu n PHE 73 Ca -0.07 -1.35 0.13 0.00 -0.56 0.00 0.00 57.45 55.59 2nlu n PHE 73 Cb 0.27 -0.25 0.44 0.00 1.52 0.00 0.00 39.48 41.47 2nlu n PHE 73 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2nlu n GLY 74 N -1.19 -1.53 3.05 4.97 0.00 -0.48 -4.26 105.19 105.75 2nlu n GLY 74 Ca 0.20 0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 2nlu n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nlu s LYS 75 N -3.19 2.09 0.13 1.61 3.01 -1.26 -4.89 119.74 117.23 2nlu s LYS 75 Ca 0.08 -2.29 0.23 0.00 -1.01 0.00 0.00 55.97 52.98 2nlu s LYS 75 Cb 0.11 -3.49 0.17 0.00 -1.01 0.00 0.00 37.83 33.61 2nlu s LYS 75 CO 0.51 -1.09 1.16 -0.35 0.51 0.00 0.00 175.35 176.09 2nlu n PRO 76 N 3.75 0.39 -2.89 -1.68 -0.04 -1.26 -5.03 135.00 128.24 2nlu n PRO 76 Ca 0.04 0.08 -0.08 0.00 -0.04 0.00 0.00 63.50 63.49 2nlu n PRO 76 Cb 0.38 -1.71 0.01 0.00 -0.04 0.00 0.00 33.50 32.14 2nlu n PRO 76 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2nlu n ASN 77 N -2.26 -7.70 -2.23 3.54 2.85 -1.26 -4.96 115.26 103.24 2nlu n ASN 77 Ca 0.02 0.73 -0.26 0.00 -0.11 0.00 0.00 54.58 54.95 2nlu n ASN 77 Cb 0.47 -4.86 0.02 0.00 1.24 0.00 0.00 39.78 36.65 2nlu n ASN 77 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2nlu n LYS 78 N 0.07 3.45 0.00 1.20 4.01 -1.26 -5.04 118.16 120.59 2nlu n LYS 78 Ca 0.06 -4.19 0.00 0.00 -0.51 0.00 0.00 58.31 53.67 2nlu n LYS 78 Cb 0.35 -2.27 0.00 0.00 -0.51 0.00 0.00 35.03 32.60 2nlu n LYS 78 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2nlu n ARG 79 N -0.64 0.00 -0.20 1.97 1.74 -1.26 -3.46 116.66 114.82 2nlu n ARG 79 Ca 0.44 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.51 2nlu n ARG 79 Cb 0.81 0.00 0.10 0.00 -1.02 0.00 0.00 32.46 32.35 2nlu n ARG 79 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2nlu h LYS 80 N 0.00 0.39 -0.24 5.56 3.64 -1.99 -0.37 116.57 123.56 2nlu h LYS 80 Ca 0.00 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.38 2nlu h LYS 80 Cb 0.00 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 2nlu h LYS 80 CO 0.00 0.26 0.17 0.78 -2.27 0.00 0.00 179.45 178.39 2nlu h GLY 81 N 0.41 0.25 0.84 5.01 0.00 -1.81 0.19 103.07 107.96 2nlu h GLY 81 Ca 0.29 -0.09 -0.11 0.00 0.00 0.00 0.00 47.33 47.42 2nlu h GLY 81 CO -0.29 0.08 -0.35 -2.75 0.00 0.00 0.00 176.54 173.23 2nlu h PHE 82 N 0.22 0.64 0.25 5.60 3.57 -1.15 -1.05 116.94 125.03 2nlu h PHE 82 Ca 0.10 -0.24 -0.01 0.00 3.53 0.00 0.00 57.97 61.35 2nlu h PHE 82 Cb 0.13 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.76 2nlu h PHE 82 CO -0.00 0.97 -0.12 0.77 -2.23 0.00 0.00 178.31 177.70 2nlu h SER 83 N 0.12 -0.29 0.47 0.41 0.02 0.12 0.25 113.55 114.65 2nlu h SER 83 Ca -0.00 -0.08 -0.10 0.00 -0.84 0.00 0.00 61.79 60.77 2nlu h SER 83 Cb 0.95 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.55 2nlu h SER 83 CO 0.08 -0.10 -0.47 1.05 -1.14 0.00 0.00 176.83 176.25 2nlu h GLU 84 N -0.46 0.00 -0.12 3.45 4.11 -0.82 -1.94 114.58 118.80 2nlu h GLU 84 Ca -0.03 -0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.34 2nlu h GLU 84 Cb 0.35 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 2nlu h GLU 84 CO 0.06 0.47 -0.14 0.78 0.07 0.00 0.00 179.01 180.25 2nlu h GLY 85 N 1.41 0.33 1.01 1.06 0.00 -0.94 0.05 103.07 106.00 2nlu h GLY 85 Ca -0.00 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 46.93 2nlu h GLY 85 CO 0.06 0.32 0.27 -2.00 0.00 0.00 0.00 176.54 175.19 2nlu h LEU 86 N -0.10 0.91 0.09 3.11 6.46 -0.41 -1.86 115.31 123.52 2nlu h LEU 86 Ca 0.02 -0.17 0.01 0.00 -0.12 0.00 0.00 57.88 57.61 2nlu h LEU 86 Cb 0.68 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.37 2nlu h LEU 86 CO 0.03 0.83 -0.11 -0.25 -0.62 0.00 0.00 178.44 178.33 2nlu h TRP 87 N 0.94 -0.28 -0.55 1.25 2.91 -1.35 -2.27 115.95 116.59 2nlu h TRP 87 Ca 0.22 0.00 0.04 0.00 1.13 0.00 0.00 58.89 60.29 2nlu h TRP 87 Cb 0.20 0.11 -0.04 0.00 -0.51 0.00 0.00 29.16 28.92 2nlu h TRP 87 CO 0.01 -0.17 0.30 1.49 -1.03 0.00 0.00 178.44 179.04 2nlu h GLU 88 N -0.23 0.56 0.00 2.65 4.57 -0.42 -2.03 114.58 119.67 2nlu h GLU 88 Ca 0.01 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2nlu h GLU 88 Cb 0.23 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 2nlu h GLU 88 CO -0.04 0.37 -0.46 0.44 -1.18 0.00 0.00 179.01 178.13 2nlu n ILE 89 N -4.84 0.41 0.13 2.32 -0.00 -0.75 -3.59 119.36 113.05 2nlu n ILE 89 Ca 0.05 -0.27 0.01 0.00 -0.00 0.00 0.00 62.75 62.54 2nlu n ILE 89 Cb 0.13 -0.24 0.05 0.00 -0.00 0.00 0.00 39.64 39.58 2nlu n ILE 89 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.55 176.47 2nlu h GLU 90 N 0.00 0.00 -0.64 6.28 4.81 -0.76 -2.96 114.58 121.31 2nlu h GLU 90 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2nlu h GLU 90 Cb 0.74 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.12 2nlu h GLU 90 CO 0.00 0.57 0.00 0.27 -0.73 0.00 0.00 179.01 179.12 2nlu n ASN 91 N -3.30 3.18 -4.61 1.04 0.23 -1.04 -4.94 115.26 105.83 2nlu n ASN 91 Ca 0.01 -2.34 -0.49 0.00 -0.53 0.00 0.00 54.58 51.23 2nlu n ASN 91 Cb 0.73 -0.49 -0.05 0.00 -2.08 0.00 0.00 39.78 37.89 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 0.48 3.03 0.10 0.53 5.15 -1.12 -4.85 115.26 118.58 2nlu n ASN 92 Ca 0.15 0.72 0.13 0.00 -0.60 0.00 0.00 54.58 54.97 2nlu n ASN 92 Cb 0.64 -1.36 0.33 0.00 -0.53 0.00 0.00 39.78 38.85 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 10.85 0.00 -5.43 1.20 0.13 -1.92 -3.41 132.00 133.41 2nlu h PRO 93 Ca -0.42 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.04 2nlu h PRO 93 Cb 1.28 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.28 2nlu h PRO 93 CO 0.97 0.00 1.38 0.99 -0.23 0.00 0.00 178.00 181.11 2nlu s THR 94 N -3.13 4.45 -0.21 1.56 2.01 -1.26 -4.97 115.64 114.09 2nlu s THR 94 Ca 0.09 -1.63 -0.08 0.00 0.31 0.00 0.00 61.69 60.38 2nlu s THR 94 Cb 0.12 -4.96 -0.04 0.00 0.01 0.00 0.00 72.50 67.63 2nlu s THR 94 CO 0.64 -1.75 0.09 0.54 -0.69 0.00 0.00 174.62 173.45 2nlu s VAL 95 N 3.39 4.84 -1.37 3.82 0.11 -1.26 -5.01 120.40 124.92 2nlu s VAL 95 Ca 0.42 -0.01 -0.12 0.00 -2.93 0.00 0.00 61.98 59.35 2nlu s VAL 95 Cb -0.01 -3.22 0.10 0.00 -1.53 0.00 0.00 36.38 31.72 2nlu s VAL 95 CO -0.04 0.40 2.04 0.29 -3.33 0.00 0.00 175.10 174.45 2nlu n LYS 96 N 4.08 3.24 0.00 1.54 5.02 -1.26 -4.14 118.16 126.65 2nlu n LYS 96 Ca -0.16 -3.09 0.00 0.00 -2.02 0.00 0.00 58.31 53.04 2nlu n LYS 96 Cb 0.52 -3.11 0.00 0.00 -0.02 0.00 0.00 35.03 32.42 2nlu n LYS 96 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2nlu n ALA 97 N 5.04 2.10 -2.18 7.82 0.00 -1.26 -5.02 120.51 127.01 2nlu n ALA 97 Ca 0.46 -0.11 -0.39 0.00 0.00 0.00 0.00 53.44 53.39 2nlu n ALA 97 Cb 0.38 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.77 2nlu n ALA 97 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2nlu s SER 98 N -0.76 7.18 0.00 0.00 1.04 -1.26 -5.01 113.70 114.90 2nlu s SER 98 Ca 0.00 1.40 0.00 0.00 0.48 0.00 0.00 55.95 57.83 2nlu s SER 98 Cb 0.00 -2.41 0.00 0.00 0.10 0.00 0.00 66.02 63.71 2nlu s SER 98 CO 0.00 0.24 0.00 0.61 0.98 0.00 0.00 173.24 175.07 2nlu n GLY 99 N 1.73 3.39 0.13 7.32 0.00 -1.26 -5.19 105.19 111.31 2nlu n GLY 99 Ca -0.08 -0.18 0.15 0.00 0.00 0.00 0.00 46.02 45.91 2nlu n GLY 99 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30