#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 0.00 -2.04 7.83 7.64 -1.26 -4.73 113.62 121.06 2nlu n SER 2 Ca 0.00 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.70 2nlu n SER 2 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 2nlu n SER 2 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2nlu n ARG 3 N 0.00 -1.58 -2.52 1.43 0.63 -1.26 -4.90 116.66 108.47 2nlu n ARG 3 Ca 0.00 0.85 -0.41 0.00 -0.92 0.00 0.00 57.85 57.37 2nlu n ARG 3 Cb 0.00 -5.33 -0.02 0.00 0.45 0.00 0.00 32.46 27.57 2nlu n ARG 3 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2nlu s SER 4 N -2.24 6.56 0.44 6.15 0.15 -1.26 -4.96 113.70 118.54 2nlu s SER 4 Ca 0.02 -2.02 -0.25 0.00 0.70 0.00 0.00 55.95 54.39 2nlu s SER 4 Cb -0.01 -2.58 -0.08 0.00 -1.71 0.00 0.00 66.02 61.64 2nlu s SER 4 CO 0.02 -1.46 1.37 0.21 1.20 0.00 0.00 173.24 174.58 2nlu s ASN 5 N 4.74 6.01 1.07 5.45 2.47 -1.26 -5.00 114.94 128.43 2nlu s ASN 5 Ca 0.53 2.79 -0.18 0.00 0.42 0.00 0.00 52.86 56.42 2nlu s ASN 5 Cb 0.02 -2.65 0.25 0.00 -1.45 0.00 0.00 41.25 37.43 2nlu s ASN 5 CO 0.02 -1.07 1.27 0.54 -3.72 0.00 0.00 177.10 174.14 2nlu n ARG 6 N -0.14 -1.85 -3.68 0.43 1.74 -1.26 -5.03 116.66 106.87 2nlu n ARG 6 Ca 0.05 -1.98 -0.36 0.00 -0.77 0.00 0.00 57.85 54.78 2nlu n ARG 6 Cb 0.43 -1.46 -0.07 0.00 -1.02 0.00 0.00 32.46 30.34 2nlu n ARG 6 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2nlu s GLN 7 N -5.81 3.98 -0.53 5.56 0.74 -1.26 -5.04 119.66 117.30 2nlu s GLN 7 Ca 0.75 -0.03 -0.14 0.00 0.05 0.00 0.00 55.36 55.99 2nlu s GLN 7 Cb -0.03 -3.34 0.13 0.00 1.10 0.00 0.00 33.01 30.87 2nlu s GLN 7 CO 0.54 0.45 0.47 0.21 -0.55 0.00 0.00 175.29 176.41 2nlu s LYS 8 N -0.13 2.88 -0.07 1.67 2.47 -1.26 -5.06 119.74 120.24 2nlu s LYS 8 Ca 0.14 -1.75 -0.21 0.00 -1.56 0.00 0.00 55.97 52.59 2nlu s LYS 8 Cb -0.12 -4.21 -0.04 0.00 -1.46 0.00 0.00 37.83 31.99 2nlu s LYS 8 CO 0.03 -1.30 0.58 -1.83 0.16 0.00 0.00 175.35 173.00 2nlu s GLU 9 N 1.49 4.37 -0.44 4.03 -1.05 -1.26 -5.02 118.70 120.82 2nlu s GLU 9 Ca 0.04 0.67 -0.23 0.00 -0.15 0.00 0.00 54.97 55.30 2nlu s GLU 9 Cb -0.28 -3.42 0.02 0.00 -0.44 0.00 0.00 34.13 30.01 2nlu s GLU 9 CO 0.02 0.17 0.76 0.71 0.95 0.00 0.00 175.26 177.87 2nlu s TYR 10 N 0.51 3.02 0.25 4.83 2.02 -1.26 -5.00 117.35 121.71 2nlu s TYR 10 Ca 0.31 0.16 -0.04 0.00 -0.37 0.00 0.00 57.07 57.13 2nlu s TYR 10 Cb -0.17 -3.58 -0.02 0.00 -0.40 0.00 0.00 41.96 37.79 2nlu s TYR 10 CO 0.15 -0.94 0.30 0.15 -1.57 0.00 0.00 175.55 173.64 2nlu s LYS 11 N 3.18 1.46 0.00 -0.62 1.02 -1.26 -4.95 119.74 118.58 2nlu s LYS 11 Ca 0.29 -1.56 0.00 0.00 0.02 0.00 0.00 55.97 54.72 2nlu s LYS 11 Cb -0.13 0.36 0.00 0.00 -0.52 0.00 0.00 37.83 37.55 2nlu s LYS 11 CO 0.21 -0.55 0.00 0.00 -0.92 0.00 0.00 175.35 174.09 2nlu n GLY 13 N 0.00 -0.38 3.69 0.00 0.00 -1.24 -4.47 105.19 102.80 2nlu n GLY 13 Ca 0.00 -0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 2nlu n GLY 13 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2nlu n ASP 14 N -0.04 3.70 -4.59 1.61 2.03 -0.91 -4.46 116.55 113.89 2nlu n ASP 14 Ca -0.04 1.01 -0.38 0.00 0.52 0.00 0.00 54.79 55.91 2nlu n ASP 14 Cb 0.36 -1.49 -0.11 0.00 -0.72 0.00 0.00 41.12 39.16 2nlu n ASP 14 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2nlu s LEU 15 N 2.39 4.01 0.00 -2.67 2.96 -1.26 -1.94 118.68 122.17 2nlu s LEU 15 Ca 0.82 -0.01 0.00 0.00 -0.22 0.00 0.00 54.13 54.73 2nlu s LEU 15 Cb -0.57 -2.11 0.00 0.00 0.50 0.00 0.00 46.19 44.01 2nlu s LEU 15 CO 0.39 -0.04 0.00 1.33 -1.32 0.00 0.00 176.35 176.71 2nlu n VAL 16 N 5.00 0.00 -3.53 1.68 0.24 -0.83 -5.01 118.33 115.89 2nlu n VAL 16 Ca -0.14 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.81 2nlu n VAL 16 Cb 0.52 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.84 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 -4.39 3.58 0.29 6.34 0.08 -1.26 -0.03 117.98 122.58 2nlu s PHE 17 Ca 0.00 0.84 0.06 0.00 0.12 0.00 0.00 56.93 57.95 2nlu s PHE 17 Cb 0.00 -2.20 -0.06 0.00 -0.57 0.00 0.00 43.02 40.19 2nlu s PHE 17 CO 0.00 0.49 -0.03 0.00 -0.10 0.00 0.00 175.22 175.59 2nlu s ALA 18 N -1.42 2.34 -0.13 5.36 0.00 0.10 -4.79 121.76 123.21 2nlu s ALA 18 Ca 0.34 -1.94 0.03 0.00 0.00 0.00 0.00 51.96 50.39 2nlu s ALA 18 Cb -0.14 0.31 0.01 0.00 0.00 0.00 0.00 23.12 23.30 2nlu s ALA 18 CO 0.18 -0.14 -0.22 -1.59 0.00 0.00 0.00 175.76 173.99 2nlu s LYS 19 N -3.77 3.04 0.28 0.00 -2.85 -1.26 -0.03 119.74 115.14 2nlu s LYS 19 Ca 0.31 -0.86 0.11 0.00 -1.00 0.00 0.00 55.97 54.53 2nlu s LYS 19 Cb 0.05 -2.40 -0.05 0.00 -2.06 0.00 0.00 37.83 33.37 2nlu s LYS 19 CO 0.13 0.05 -0.15 1.41 0.10 0.00 0.00 175.35 176.88 2nlu s MET 20 N 0.67 1.81 -0.18 1.78 1.75 -0.46 -5.02 119.30 119.65 2nlu s MET 20 Ca -0.11 -1.71 -0.29 0.00 -1.25 0.00 0.00 55.69 52.33 2nlu s MET 20 Cb -0.16 -1.84 -0.04 0.00 2.84 0.00 0.00 34.83 35.63 2nlu s MET 20 CO 0.01 0.32 1.68 0.21 -0.65 0.00 0.00 175.02 176.60 2nlu s LYS 21 N -3.55 3.83 0.00 4.11 2.47 -1.26 -0.74 119.74 124.60 2nlu s LYS 21 Ca 0.31 1.83 0.00 0.00 -1.56 0.00 0.00 55.97 56.54 2nlu s LYS 21 Cb -0.05 -4.06 0.00 0.00 -1.46 0.00 0.00 37.83 32.27 2nlu s LYS 21 CO 0.16 -1.25 0.00 0.41 0.16 0.00 0.00 175.35 174.83 2nlu n GLY 22 N 4.63 0.61 2.86 5.54 0.00 -1.26 -5.01 105.19 112.57 2nlu n GLY 22 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.25 2.69 0.04 1.61 1.51 0.08 -5.05 117.35 115.97 2nlu s TYR 23 Ca 0.00 -2.54 -0.12 0.00 -1.01 0.00 0.00 57.07 53.40 2nlu s TYR 23 Cb 0.00 -2.33 -0.05 0.00 -0.11 0.00 0.00 41.96 39.47 2nlu s TYR 23 CO 0.00 -0.86 1.19 -1.00 -1.11 0.00 0.00 175.55 173.77 2nlu h PRO 24 N 7.39 -0.22 -2.33 -1.71 0.13 -1.90 -1.22 132.00 132.14 2nlu h PRO 24 Ca -0.07 0.02 -0.35 0.00 -0.87 0.00 0.00 66.00 64.73 2nlu h PRO 24 Cb 0.98 0.05 -0.35 0.00 0.13 0.00 0.00 31.00 31.81 2nlu h PRO 24 CO 0.52 -0.15 -0.65 -1.01 -0.23 0.00 0.00 178.00 176.48 2nlu s HIS 25 N -3.94 -0.31 -0.07 1.56 3.76 -1.26 -4.42 115.29 110.61 2nlu s HIS 25 Ca -0.05 -0.15 0.04 0.00 -0.15 0.00 0.00 55.06 54.74 2nlu s HIS 25 Cb 0.02 -0.49 0.00 0.00 1.11 0.00 0.00 32.58 33.23 2nlu s HIS 25 CO 0.21 -0.83 -0.18 -0.46 -0.85 0.00 0.00 174.74 172.64 2nlu s TRP 26 N 2.32 1.88 0.11 1.40 -0.11 0.96 -4.86 118.94 120.64 2nlu s TRP 26 Ca 0.09 -0.66 -0.34 0.00 1.22 0.00 0.00 56.10 56.41 2nlu s TRP 26 Cb -0.15 -1.29 -0.13 0.00 -1.50 0.00 0.00 33.47 30.40 2nlu s TRP 26 CO -0.28 -0.27 1.65 -0.35 -4.62 0.00 0.00 176.95 173.08 2nlu n PRO 27 N 3.46 2.20 -3.83 5.86 -0.04 -1.26 0.01 135.00 141.40 2nlu n PRO 27 Ca -0.20 0.80 -0.12 0.00 -0.04 0.00 0.00 63.50 63.94 2nlu n PRO 27 Cb 0.52 -2.59 -0.10 0.00 -0.04 0.00 0.00 33.50 31.29 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 1.64 -0.47 -0.12 0.55 0.00 0.95 -4.81 121.76 119.50 2nlu s ALA 28 Ca 0.82 0.17 -0.07 0.00 0.00 0.00 0.00 51.96 52.88 2nlu s ALA 28 Cb -0.67 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.38 2nlu s ALA 28 CO 0.40 -0.18 0.14 0.50 0.00 0.00 0.00 175.76 176.62 2nlu s ARG 29 N -0.91 3.46 0.31 0.00 3.52 -1.26 -1.96 118.95 122.10 2nlu s ARG 29 Ca -0.10 -0.12 -0.23 0.00 -0.13 0.00 0.00 55.73 55.15 2nlu s ARG 29 Cb -0.05 -3.19 -0.10 0.00 -1.56 0.00 0.00 34.95 30.05 2nlu s ARG 29 CO 0.02 0.77 0.88 -1.50 -0.81 0.00 0.00 175.30 174.65 2nlu s ILE 30 N -1.01 4.35 -0.08 4.11 -1.16 -0.82 -5.01 121.20 121.58 2nlu s ILE 30 Ca 0.15 1.60 -0.08 0.00 -0.51 0.00 0.00 60.65 61.82 2nlu s ILE 30 Cb -0.12 -3.91 0.02 0.00 0.61 0.00 0.00 42.46 39.06 2nlu s ILE 30 CO 0.04 0.10 0.21 -0.62 -2.81 0.00 0.00 174.94 171.86 2nlu s ASP 31 N -1.71 -0.22 -0.79 4.50 2.15 -1.26 -3.62 116.67 115.72 2nlu s ASP 31 Ca 0.50 0.41 -0.10 0.00 0.43 0.00 0.00 52.55 53.79 2nlu s ASP 31 Cb -0.17 0.43 0.21 0.00 -0.30 0.00 0.00 42.92 43.09 2nlu s ASP 31 CO 0.22 -0.09 0.69 -1.83 -0.17 0.00 0.00 175.17 173.99 2nlu s GLU 32 N 0.06 3.32 -0.17 4.34 -1.05 -1.26 -4.90 118.70 119.05 2nlu s GLU 32 Ca -0.00 -2.56 -0.08 0.00 -0.15 0.00 0.00 54.97 52.17 2nlu s GLU 32 Cb -0.02 -4.21 -0.04 0.00 -0.44 0.00 0.00 34.13 29.42 2nlu s GLU 32 CO 0.00 -1.25 0.10 1.41 0.95 0.00 0.00 175.26 176.47 2nlu s MET 33 N -0.05 3.87 0.62 -4.83 1.75 -1.26 -4.92 119.30 114.48 2nlu s MET 33 Ca 0.19 -0.25 -0.18 0.00 -1.25 0.00 0.00 55.69 54.19 2nlu s MET 33 Cb -0.13 -3.26 -0.03 0.00 2.84 0.00 0.00 34.83 34.25 2nlu s MET 33 CO -0.07 0.43 1.16 -2.30 -0.65 0.00 0.00 175.02 173.59 2nlu n PRO 34 N 3.06 1.07 0.00 4.11 -0.02 -1.26 -0.04 135.00 141.92 2nlu n PRO 34 Ca -0.17 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 2nlu n PRO 34 Cb 0.53 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 2nlu n PRO 34 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2nlu n GLU 35 N -1.44 0.00 -0.05 -0.52 4.07 0.25 -4.52 120.64 118.42 2nlu n GLU 35 Ca 0.15 0.00 -0.02 0.00 -0.06 0.00 0.00 57.16 57.23 2nlu n GLU 35 Cb 0.47 -0.30 -0.01 0.00 -0.06 0.00 0.00 31.44 31.54 2nlu n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2nlu h ALA 36 N 0.00 0.00 0.01 4.31 0.00 -1.95 -3.43 119.26 118.19 2nlu h ALA 36 Ca 0.00 -0.22 -0.39 0.00 0.00 0.00 0.00 54.91 54.30 2nlu h ALA 36 Cb 0.00 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 2nlu h ALA 36 CO 0.00 0.20 -2.45 0.00 0.00 0.00 0.00 179.25 177.00 2nlu n ALA 37 N -3.00 1.42 -2.57 0.00 0.00 0.95 -4.82 120.51 112.49 2nlu n ALA 37 Ca -0.03 -1.09 -0.42 0.00 0.00 0.00 0.00 53.44 51.90 2nlu n ALA 37 Cb 0.10 -0.13 -0.03 0.00 0.00 0.00 0.00 19.45 19.40 2nlu n ALA 37 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2nlu s VAL 38 N -2.52 3.85 -0.09 0.00 1.01 -0.67 -4.97 120.40 117.01 2nlu s VAL 38 Ca -0.33 0.60 -0.00 0.00 0.00 0.00 0.00 61.98 62.25 2nlu s VAL 38 Cb 0.09 -4.84 0.02 0.00 0.00 0.00 0.00 36.38 31.65 2nlu s VAL 38 CO 0.62 -1.64 -0.05 -0.54 0.00 0.00 0.00 175.10 173.48 2nlu s LYS 39 N 5.40 1.20 -0.66 2.72 1.02 -1.26 -0.59 119.74 127.58 2nlu s LYS 39 Ca 0.38 -0.14 -0.12 0.00 0.02 0.00 0.00 55.97 56.11 2nlu s LYS 39 Cb -0.08 -1.33 0.17 0.00 -0.52 0.00 0.00 37.83 36.08 2nlu s LYS 39 CO 0.19 -0.24 0.57 -1.12 -0.92 0.00 0.00 175.35 173.83 2nlu s SER 40 N 1.65 6.18 -0.44 2.83 0.01 -1.26 -4.93 113.70 117.74 2nlu s SER 40 Ca 0.02 -2.36 0.02 0.00 1.31 0.00 0.00 55.95 54.95 2nlu s SER 40 Cb -0.13 -2.11 0.15 0.00 0.21 0.00 0.00 66.02 64.14 2nlu s SER 40 CO -0.06 -0.63 0.29 -0.89 0.41 0.00 0.00 173.24 172.36 2nlu s THR 41 N 0.69 0.93 -0.63 1.44 2.01 -1.26 -5.09 115.64 113.74 2nlu s THR 41 Ca 0.12 -2.55 -0.27 0.00 0.31 0.00 0.00 61.69 59.31 2nlu s THR 41 Cb -0.19 -1.65 -0.00 0.00 0.01 0.00 0.00 72.50 70.66 2nlu s THR 41 CO -0.04 -1.03 1.62 0.00 -0.69 0.00 0.00 174.62 174.48 2nlu s ALA 42 N 0.26 2.47 -2.45 7.40 0.00 -1.26 -4.79 121.76 123.39 2nlu s ALA 42 Ca 0.23 -0.82 0.27 0.00 0.00 0.00 0.00 51.96 51.64 2nlu s ALA 42 Cb -0.14 -4.25 1.02 0.00 0.00 0.00 0.00 23.12 19.76 2nlu s ALA 42 CO -0.07 -3.51 1.72 0.27 0.00 0.00 0.00 175.76 174.17 2nlu n ASN 43 N 11.17 1.49 -4.66 0.00 6.94 -1.26 -4.83 115.26 124.11 2nlu n ASN 43 Ca 0.14 -1.52 -0.38 0.00 -0.02 0.00 0.00 54.58 52.80 2nlu n ASN 43 Cb 0.50 -0.02 -0.08 0.00 -2.36 0.00 0.00 39.78 37.82 2nlu n ASN 43 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2nlu s LYS 44 N -1.97 4.12 -0.12 -3.83 -0.14 -1.26 -4.71 119.74 111.82 2nlu s LYS 44 Ca 0.37 0.01 -0.05 0.00 -1.36 0.00 0.00 55.97 54.94 2nlu s LYS 44 Cb 0.20 -3.55 -0.04 0.00 -1.68 0.00 0.00 37.83 32.76 2nlu s LYS 44 CO 0.32 -0.03 0.07 0.71 -0.76 0.00 0.00 175.35 175.66 2nlu s TYR 45 N 1.31 3.35 -0.77 3.18 2.02 -0.58 -4.96 117.35 120.91 2nlu s TYR 45 Ca 0.14 0.30 -0.24 0.00 -0.37 0.00 0.00 57.07 56.90 2nlu s TYR 45 Cb -0.14 -1.92 0.06 0.00 -0.40 0.00 0.00 41.96 39.55 2nlu s TYR 45 CO 0.07 0.50 1.18 -0.65 -1.57 0.00 0.00 175.55 175.08 2nlu s GLN 46 N -0.64 3.25 -0.48 -0.62 -0.21 -1.26 -1.87 119.66 117.83 2nlu s GLN 46 Ca 0.12 -0.70 -0.21 0.00 0.02 0.00 0.00 55.36 54.59 2nlu s GLN 46 Cb -0.12 -4.43 0.04 0.00 1.00 0.00 0.00 33.01 29.50 2nlu s GLN 46 CO 0.02 -2.01 0.72 0.08 -2.12 0.00 0.00 175.29 171.98 2nlu s VAL 47 N 4.80 4.73 -0.70 1.09 1.01 0.12 -4.94 120.40 126.52 2nlu s VAL 47 Ca 0.32 -0.01 -0.22 0.00 0.00 0.00 0.00 61.98 62.07 2nlu s VAL 47 Cb -0.10 -4.32 0.08 0.00 0.00 0.00 0.00 36.38 32.04 2nlu s VAL 47 CO 0.08 -0.79 0.99 -0.36 0.00 0.00 0.00 175.10 175.02 2nlu s PHE 48 N 3.05 2.73 -0.23 5.22 0.40 -1.26 -0.15 117.98 127.74 2nlu s PHE 48 Ca 0.23 -0.66 -0.36 0.00 -0.60 0.00 0.00 56.93 55.53 2nlu s PHE 48 Cb -0.15 -4.30 -0.12 0.00 0.51 0.00 0.00 43.02 38.96 2nlu s PHE 48 CO 0.17 -1.63 1.96 1.19 0.70 0.00 0.00 175.22 177.61 2nlu n PHE 49 N 7.58 2.02 0.14 0.36 3.01 0.84 -4.83 117.46 126.58 2nlu n PHE 49 Ca 0.00 0.21 0.06 0.00 1.01 0.00 0.00 57.45 58.74 2nlu n PHE 49 Cb 0.46 -2.58 0.05 0.00 -0.01 0.00 0.00 39.48 37.40 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 9.96 0.00 0.08 1.38 3.57 -1.94 0.14 116.94 130.13 2nlu h PHE 50 Ca -0.41 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.09 2nlu h PHE 50 Cb 1.30 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.04 2nlu h PHE 50 CO 0.88 0.29 -0.04 0.78 -2.23 0.00 0.00 178.31 177.99 2nlu h GLY 51 N 3.76 -0.11 1.04 2.40 0.00 -1.88 -3.35 103.07 104.93 2nlu h GLY 51 Ca -0.03 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2nlu h GLY 51 CO 0.03 -0.04 -0.23 -1.30 0.00 0.00 0.00 176.54 175.00 2nlu n THR 52 N -4.81 0.00 -3.53 4.70 -2.24 -1.25 -4.62 114.28 102.53 2nlu n THR 52 Ca -0.04 -0.04 -0.19 0.00 -2.27 0.00 0.00 64.05 61.50 2nlu n THR 52 Cb 0.17 0.01 0.07 0.00 -2.10 0.00 0.00 70.33 68.48 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 -1.18 -2.22 -4.73 4.78 -0.00 0.42 -5.02 115.22 107.27 2nlu n HIS 53 Ca 0.10 0.93 -0.32 0.00 0.46 0.00 0.00 57.72 58.88 2nlu n HIS 53 Cb 0.32 -4.89 -0.07 0.00 -0.12 0.00 0.00 29.99 25.23 2nlu n HIS 53 CO 0.00 0.00 0.00 -1.83 0.46 0.00 0.00 176.34 174.97 2nlu s GLU 54 N -5.67 2.19 -0.07 1.57 -1.05 -0.84 -4.93 118.70 109.89 2nlu s GLU 54 Ca 0.10 -2.41 0.04 0.00 -0.15 0.00 0.00 54.97 52.55 2nlu s GLU 54 Cb -0.05 -1.33 0.00 0.00 -0.44 0.00 0.00 34.13 32.32 2nlu s GLU 54 CO 0.75 -0.43 -0.20 0.99 0.95 0.00 0.00 175.26 177.32 2nlu s THR 55 N -2.96 1.68 0.07 1.83 2.01 -1.26 -0.11 115.64 116.89 2nlu s THR 55 Ca 0.05 -0.82 0.03 0.00 0.31 0.00 0.00 61.69 61.27 2nlu s THR 55 Cb 0.00 -1.46 -0.03 0.00 0.01 0.00 0.00 72.50 71.03 2nlu s THR 55 CO 0.03 0.47 -0.10 0.00 -0.69 0.00 0.00 174.62 174.34 2nlu s ALA 56 N 0.29 0.88 -0.39 7.40 0.00 0.79 -4.96 121.76 125.77 2nlu s ALA 56 Ca -0.12 -0.99 -0.12 0.00 0.00 0.00 0.00 51.96 50.73 2nlu s ALA 56 Cb -0.15 0.03 0.04 0.00 0.00 0.00 0.00 23.12 23.03 2nlu s ALA 56 CO 0.05 -0.01 0.24 -0.06 0.00 0.00 0.00 175.76 175.98 2nlu s PHE 57 N -1.90 3.25 0.35 0.00 0.08 -1.26 0.16 117.98 118.67 2nlu s PHE 57 Ca -0.02 -0.96 0.03 0.00 0.12 0.00 0.00 56.93 56.11 2nlu s PHE 57 Cb -0.06 -2.57 -0.04 0.00 -0.57 0.00 0.00 43.02 39.78 2nlu s PHE 57 CO 0.00 -0.67 0.12 -0.51 -0.10 0.00 0.00 175.22 174.06 2nlu s LEU 58 N 1.57 1.93 0.00 -0.37 1.43 -0.78 -4.89 118.68 117.56 2nlu s LEU 58 Ca 0.03 -1.56 0.02 0.00 -1.03 0.00 0.00 54.13 51.59 2nlu s LEU 58 Cb -0.20 -0.08 0.02 0.00 0.03 0.00 0.00 46.19 45.97 2nlu s LEU 58 CO 0.07 -0.84 0.19 0.61 0.23 0.00 0.00 176.35 176.61 2nlu n GLY 59 N -0.75 2.90 0.22 -3.19 0.00 -1.26 -1.52 105.19 101.59 2nlu n GLY 59 Ca -0.03 -2.23 0.04 0.00 0.00 0.00 0.00 46.02 43.80 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 0.06 0.00 1.61 0.11 -1.92 -2.72 132.00 129.14 2nlu h PRO 60 Ca -0.16 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.91 2nlu h PRO 60 Cb 0.60 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.69 2nlu h PRO 60 CO 0.26 0.27 -0.11 -0.22 -0.21 0.00 0.00 178.00 177.99 2nlu h LYS 61 N 0.06 0.00 -0.07 1.05 3.64 -2.02 -2.37 116.57 116.87 2nlu h LYS 61 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2nlu h LYS 61 Cb 0.40 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 2nlu h LYS 61 CO 0.03 0.11 0.00 -0.25 -2.27 0.00 0.00 179.45 177.07 2nlu n ASP 62 N -3.19 1.34 -4.05 4.20 8.00 -1.03 -4.76 116.55 117.06 2nlu n ASP 62 Ca 0.01 -1.53 -0.31 0.00 0.71 0.00 0.00 54.79 53.67 2nlu n ASP 62 Cb 0.43 -0.04 -0.16 0.00 -0.02 0.00 0.00 41.12 41.33 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 -1.81 2.28 -0.19 0.64 2.96 -0.89 -4.98 118.68 116.69 2nlu s LEU 63 Ca 0.36 -0.80 -0.03 0.00 -0.22 0.00 0.00 54.13 53.44 2nlu s LEU 63 Cb 0.19 -1.35 -0.01 0.00 0.50 0.00 0.00 46.19 45.52 2nlu s LEU 63 CO 0.30 -0.08 -0.08 -0.36 -1.32 0.00 0.00 176.35 174.81 2nlu s PHE 64 N 1.33 2.91 -0.26 5.38 0.40 -1.26 -4.95 117.98 121.54 2nlu s PHE 64 Ca 0.01 -0.87 -0.37 0.00 -0.60 0.00 0.00 56.93 55.11 2nlu s PHE 64 Cb -0.15 -2.02 -0.13 0.00 0.51 0.00 0.00 43.02 41.24 2nlu s PHE 64 CO -0.10 -0.44 1.96 -0.35 0.70 0.00 0.00 175.22 176.99 2nlu n PRO 65 N 4.37 1.40 0.10 0.24 -0.04 -1.26 -4.84 135.00 134.96 2nlu n PRO 65 Ca -0.18 0.47 0.13 0.00 -0.04 0.00 0.00 63.50 63.88 2nlu n PRO 65 Cb 0.51 -2.40 0.44 0.00 -0.04 0.00 0.00 33.50 32.01 2nlu n PRO 65 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2nlu n TYR 66 N 7.55 0.81 -0.01 0.54 4.11 -1.26 -0.68 117.16 128.21 2nlu n TYR 66 Ca 0.31 0.25 -0.09 0.00 -0.00 0.00 0.00 57.90 58.37 2nlu n TYR 66 Cb 0.21 -0.90 0.06 0.00 -0.00 0.00 0.00 39.34 38.71 2nlu n TYR 66 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.86 178.35 2nlu h GLU 67 N 0.00 0.61 0.00 -3.48 4.57 -2.00 -3.24 114.58 111.03 2nlu h GLU 67 Ca 0.00 -0.36 -0.35 0.00 -1.18 0.00 0.00 59.36 57.47 2nlu h GLU 67 Cb 0.65 0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 29.22 2nlu h GLU 67 CO 0.00 0.97 -2.24 0.39 -1.18 0.00 0.00 179.01 176.95 2nlu n GLU 68 N -3.99 0.50 -0.13 1.92 1.02 -1.10 -4.72 120.64 114.15 2nlu n GLU 68 Ca -0.03 0.17 0.05 0.00 -0.02 0.00 0.00 57.16 57.33 2nlu n GLU 68 Cb 0.58 -1.36 0.12 0.00 -0.02 0.00 0.00 31.44 30.75 2nlu n GLU 68 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2nlu n SER 69 N -3.58 2.63 -0.33 1.62 2.88 0.14 -4.66 113.62 112.32 2nlu n SER 69 Ca -0.41 -1.90 0.16 0.00 -1.33 0.00 0.00 58.87 55.39 2nlu n SER 69 Cb 0.86 -0.17 0.36 0.00 -0.75 0.00 0.00 64.21 64.51 2nlu n SER 69 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 2nlu h LYS 70 N 1.77 0.53 0.00 -1.46 -0.00 -1.62 -1.40 116.57 114.40 2nlu h LYS 70 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 60.65 60.62 2nlu h LYS 70 Cb 0.65 -0.12 0.00 0.00 -0.00 0.00 0.00 32.23 32.76 2nlu h LYS 70 CO 0.00 0.35 0.00 0.93 -0.00 0.00 0.00 179.45 180.73 2nlu h GLU 71 N 0.55 0.00 0.00 0.07 5.08 -1.87 -1.43 114.58 116.98 2nlu h GLU 71 Ca 0.61 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.97 2nlu h GLU 71 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2nlu h GLU 71 CO -0.48 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.16 2nlu n LYS 72 N -2.97 0.22 -0.07 2.33 4.76 -0.53 -2.85 118.16 119.06 2nlu n LYS 72 Ca 0.02 0.27 0.05 0.00 -2.87 0.00 0.00 58.31 55.78 2nlu n LYS 72 Cb 0.36 -1.81 0.08 0.00 -1.84 0.00 0.00 35.03 31.82 2nlu n LYS 72 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 2nlu n PHE 73 N -2.21 0.00 -2.56 2.13 3.72 -0.63 -4.95 117.46 112.97 2nlu n PHE 73 Ca 0.05 -0.72 -0.42 0.00 -0.05 0.00 0.00 57.45 56.30 2nlu n PHE 73 Cb 0.36 -0.10 -0.01 0.00 -0.94 0.00 0.00 39.48 38.79 2nlu n PHE 73 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2nlu s GLY 74 N -1.98 1.54 -0.32 1.37 0.00 -0.68 -4.82 107.32 102.42 2nlu s GLY 74 Ca 0.17 -2.80 -0.02 0.00 0.00 0.00 0.00 44.72 42.07 2nlu s GLY 74 CO 0.02 2.76 0.16 1.25 0.00 0.00 0.00 173.10 177.28 2nlu s LYS 75 N 4.41 0.45 0.68 2.90 2.47 -1.26 -5.04 119.74 124.36 2nlu s LYS 75 Ca 0.53 -0.96 -0.10 0.00 -1.56 0.00 0.00 55.97 53.88 2nlu s LYS 75 Cb 0.03 -1.40 0.15 0.00 -1.46 0.00 0.00 37.83 35.16 2nlu s LYS 75 CO 0.06 -1.09 0.93 -0.35 0.16 0.00 0.00 175.35 175.06 2nlu n PRO 76 N 4.69 -0.77 -1.23 4.03 -0.04 -1.26 -4.28 135.00 136.15 2nlu n PRO 76 Ca 0.01 -1.60 -0.08 0.00 -0.04 0.00 0.00 63.50 61.80 2nlu n PRO 76 Cb 0.40 -0.91 -0.03 0.00 -0.04 0.00 0.00 33.50 32.91 2nlu n PRO 76 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2nlu n ASN 77 N -3.50 -4.40 -2.76 3.54 5.03 -1.26 -4.88 115.26 107.03 2nlu n ASN 77 Ca 0.12 0.19 -0.28 0.00 0.87 0.00 0.00 54.58 55.48 2nlu n ASN 77 Cb 0.43 -2.59 -0.07 0.00 -1.02 0.00 0.00 39.78 36.53 2nlu n ASN 77 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 2nlu n LYS 78 N -2.16 3.08 -0.30 3.52 3.00 -1.26 -4.90 118.16 119.13 2nlu n LYS 78 Ca -0.08 -2.20 0.04 0.00 -0.00 0.00 0.00 58.31 56.07 2nlu n LYS 78 Cb 0.33 -2.36 -0.02 0.00 0.00 0.00 0.00 35.03 32.99 2nlu n LYS 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2nlu n ARG 79 N 2.10 -0.69 0.18 1.64 1.74 -1.26 -4.14 116.66 116.24 2nlu n ARG 79 Ca 0.57 0.55 0.07 0.00 -0.77 0.00 0.00 57.85 58.27 2nlu n ARG 79 Cb 0.51 -0.80 0.19 0.00 -1.02 0.00 0.00 32.46 31.34 2nlu n ARG 79 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 2nlu h LYS 80 N -0.29 0.00 -0.10 5.56 2.10 -1.98 -2.05 116.57 119.80 2nlu h LYS 80 Ca -0.04 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.61 2nlu h LYS 80 Cb 0.29 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.61 2nlu h LYS 80 CO 0.01 0.33 0.04 0.78 -2.00 0.00 0.00 179.45 178.61 2nlu h GLY 81 N 3.12 0.17 0.98 0.07 0.00 -1.84 0.33 103.07 105.90 2nlu h GLY 81 Ca -0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 2nlu h GLY 81 CO 0.04 0.09 0.27 -2.75 0.00 0.00 0.00 176.54 174.19 2nlu h PHE 82 N 0.01 0.78 -0.55 5.60 3.04 -1.70 -2.48 116.94 121.65 2nlu h PHE 82 Ca 0.03 -0.03 -0.09 0.00 3.98 0.00 0.00 57.97 61.87 2nlu h PHE 82 Cb 0.17 -0.24 -0.02 0.00 2.56 0.00 0.00 35.95 38.41 2nlu h PHE 82 CO -0.02 0.60 0.00 0.77 -2.02 0.00 0.00 178.31 177.64 2nlu h SER 83 N 0.74 0.92 -0.29 0.41 0.02 -1.16 -1.59 113.55 112.60 2nlu h SER 83 Ca 0.19 -0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 2nlu h SER 83 Cb 0.10 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 2nlu h SER 83 CO -0.03 0.97 0.13 -0.08 -1.14 0.00 0.00 176.83 176.68 2nlu h GLU 84 N 0.87 0.42 -0.40 3.45 4.81 -0.21 0.11 114.58 123.62 2nlu h GLU 84 Ca 0.16 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.34 2nlu h GLU 84 Cb 0.51 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 2nlu h GLU 84 CO 0.03 0.42 0.23 0.78 -0.73 0.00 0.00 179.01 179.74 2nlu h GLY 85 N 0.32 0.55 1.06 1.92 0.00 -1.19 0.12 103.07 105.85 2nlu h GLY 85 Ca 0.10 -0.17 -0.06 0.00 0.00 0.00 0.00 47.33 47.20 2nlu h GLY 85 CO -0.01 0.15 0.23 -2.00 0.00 0.00 0.00 176.54 174.91 2nlu h LEU 86 N 0.47 1.08 0.16 3.11 6.46 -1.14 -2.27 115.31 123.18 2nlu h LEU 86 Ca 0.16 -0.21 -0.01 0.00 -0.12 0.00 0.00 57.88 57.70 2nlu h LEU 86 Cb 0.02 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 39.66 2nlu h LEU 86 CO -0.08 1.00 -0.08 -0.25 -0.62 0.00 0.00 178.44 178.42 2nlu h TRP 87 N 1.11 -0.20 -0.20 1.25 7.01 -0.17 0.27 115.95 125.01 2nlu h TRP 87 Ca 0.24 -0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.29 2nlu h TRP 87 Cb 0.31 0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 27.43 2nlu h TRP 87 CO 0.03 -0.07 0.15 0.93 -2.79 0.00 0.00 178.44 176.69 2nlu h GLU 88 N -0.29 0.00 0.00 2.65 4.39 -0.65 0.16 114.58 120.84 2nlu h GLU 88 Ca -0.02 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.46 2nlu h GLU 88 Cb 0.22 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.84 2nlu h GLU 88 CO 0.04 0.00 -1.11 0.82 -1.16 0.00 0.00 179.01 177.60 2nlu h ILE 89 N 0.00 1.49 -0.07 3.13 5.03 -0.94 -2.46 117.51 123.70 2nlu h ILE 89 Ca 0.10 -3.20 -0.13 0.00 -0.12 0.00 0.00 64.86 61.50 2nlu h ILE 89 Cb 0.40 2.73 -0.01 0.00 -3.03 0.00 0.00 36.82 36.91 2nlu h ILE 89 CO -0.00 0.85 -0.55 -0.08 -0.68 0.00 0.00 178.15 177.68 2nlu h GLU 90 N 0.00 0.20 -0.34 2.37 4.81 0.22 -3.10 114.58 118.74 2nlu h GLU 90 Ca -0.06 -0.12 -0.06 0.00 -0.13 0.00 0.00 59.36 58.98 2nlu h GLU 90 Cb 1.79 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 31.15 2nlu h GLU 90 CO 0.12 0.70 0.02 0.27 -0.73 0.00 0.00 179.01 179.38 2nlu n ASN 91 N -3.91 3.76 -4.68 1.04 0.23 0.08 -5.03 115.26 106.75 2nlu n ASN 91 Ca -0.02 -3.19 -0.54 0.00 -0.53 0.00 0.00 54.58 50.31 2nlu n ASN 91 Cb 0.58 -0.59 -0.06 0.00 -2.08 0.00 0.00 39.78 37.63 2nlu n ASN 91 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2nlu n ASN 92 N -0.57 2.54 -0.24 0.53 6.94 -0.93 -4.84 115.26 118.70 2nlu n ASN 92 Ca 0.26 1.06 0.02 0.00 -0.02 0.00 0.00 54.58 55.90 2nlu n ASN 92 Cb 0.99 -1.22 0.05 0.00 -2.36 0.00 0.00 39.78 37.24 2nlu n ASN 92 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 2nlu n PRO 93 N 5.04 1.29 -3.51 -0.53 -0.04 -1.26 -4.63 135.00 131.34 2nlu n PRO 93 Ca 0.24 -0.42 -0.17 0.00 -0.04 0.00 0.00 63.50 63.11 2nlu n PRO 93 Cb 0.19 -1.12 -0.13 0.00 -0.04 0.00 0.00 33.50 32.40 2nlu n PRO 93 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2nlu s THR 94 N -1.82 -0.36 -0.28 0.52 2.01 -1.26 -5.12 115.64 109.34 2nlu s THR 94 Ca 0.08 -0.03 -0.03 0.00 0.31 0.00 0.00 61.69 62.02 2nlu s THR 94 Cb 0.04 -0.64 0.03 0.00 0.01 0.00 0.00 72.50 71.94 2nlu s THR 94 CO 0.05 -0.13 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.16 2nlu s VAL 95 N 2.36 3.24 -0.77 3.82 1.01 -1.26 -5.06 120.40 123.73 2nlu s VAL 95 Ca 0.06 -1.02 -0.15 0.00 0.00 0.00 0.00 61.98 60.88 2nlu s VAL 95 Cb -0.15 -2.71 0.19 0.00 0.00 0.00 0.00 36.38 33.72 2nlu s VAL 95 CO -0.12 0.08 0.73 -0.75 0.00 0.00 0.00 175.10 175.05 2nlu s LYS 96 N 1.36 3.47 0.02 2.72 2.20 -1.26 -4.67 119.74 123.58 2nlu s LYS 96 Ca -0.00 -2.25 0.00 0.00 -0.36 0.00 0.00 55.97 53.36 2nlu s LYS 96 Cb -0.18 -4.42 0.00 0.00 -1.51 0.00 0.00 37.83 31.72 2nlu s LYS 96 CO -0.02 -1.33 0.00 0.00 -0.36 0.00 0.00 175.35 173.64 2nlu n ALA 97 N 4.42 3.00 -2.24 3.13 0.00 -1.26 -4.81 120.51 122.74 2nlu n ALA 97 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.23 2nlu n ALA 97 Cb 0.46 0.40 0.01 0.00 0.00 0.00 0.00 19.45 20.32 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 -3.01 5.43 -4.57 0.00 2.88 -1.26 -5.01 113.62 108.07 2nlu n SER 98 Ca 0.00 -3.75 -0.42 0.00 -1.33 0.00 0.00 58.87 53.37 2nlu n SER 98 Cb 0.37 -0.58 -0.03 0.00 -0.75 0.00 0.00 64.21 63.22 2nlu n SER 98 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2nlu s GLY 99 N -3.00 1.13 0.00 0.46 0.00 -1.26 -5.22 107.32 99.43 2nlu s GLY 99 Ca 0.50 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 44.24 2nlu s GLY 99 CO -0.19 2.47 0.00 1.58 0.00 0.00 0.00 173.10 176.96