#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 0.67 -3.17 7.83 0.02 -2.12 -3.47 113.55 113.32 2nlu h SER 2 Ca 0.00 -0.38 -0.41 0.00 -0.84 0.00 0.00 61.79 60.16 2nlu h SER 2 Cb 0.00 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 2nlu h SER 2 CO 0.00 1.11 -0.53 -1.14 -1.14 0.00 0.00 176.83 175.13 2nlu n ARG 3 N -3.94 -1.96 -1.89 3.45 0.63 -1.26 -4.90 116.66 106.78 2nlu n ARG 3 Ca -0.04 0.98 -0.42 0.00 -0.92 0.00 0.00 57.85 57.46 2nlu n ARG 3 Cb 0.64 -5.67 -0.03 0.00 0.45 0.00 0.00 32.46 27.85 2nlu n ARG 3 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 2nlu s SER 4 N -2.10 6.57 -0.90 6.15 1.04 -1.26 -4.90 113.70 118.30 2nlu s SER 4 Ca 0.02 2.55 -0.24 0.00 0.48 0.00 0.00 55.95 58.76 2nlu s SER 4 Cb -0.01 -2.57 0.01 0.00 0.10 0.00 0.00 66.02 63.55 2nlu s SER 4 CO 0.03 -0.89 1.62 0.21 0.98 0.00 0.00 173.24 175.19 2nlu s ASN 5 N 2.21 5.90 -0.36 7.02 2.47 -1.26 -4.95 114.94 125.97 2nlu s ASN 5 Ca 0.74 -0.88 -0.24 0.00 0.42 0.00 0.00 52.86 52.90 2nlu s ASN 5 Cb -0.42 -2.56 0.01 0.00 -1.45 0.00 0.00 41.25 36.84 2nlu s ASN 5 CO 0.33 -2.04 0.84 -0.13 -3.72 0.00 0.00 177.10 172.38 2nlu s ARG 6 N 5.94 3.79 -0.23 0.43 0.52 -1.26 -4.97 118.95 123.17 2nlu s ARG 6 Ca 0.54 0.43 -0.28 0.00 -0.52 0.00 0.00 55.73 55.90 2nlu s ARG 6 Cb -0.05 -3.80 -0.04 0.00 0.52 0.00 0.00 34.95 31.58 2nlu s ARG 6 CO -0.00 -0.88 2.09 -0.65 0.02 0.00 0.00 175.30 175.87 2nlu s GLN 7 N 3.25 3.24 -0.44 3.54 -1.52 -1.26 -4.91 119.66 121.56 2nlu s GLN 7 Ca 0.34 1.91 0.03 0.00 -1.95 0.00 0.00 55.36 55.69 2nlu s GLN 7 Cb -0.13 -4.31 0.16 0.00 -0.22 0.00 0.00 33.01 28.51 2nlu s GLN 7 CO 0.17 -1.97 0.31 0.21 -0.25 0.00 0.00 175.29 173.77 2nlu s LYS 8 N 6.06 1.09 0.02 2.91 2.20 -1.26 -4.91 119.74 125.86 2nlu s LYS 8 Ca 0.94 -2.08 0.19 0.00 -0.36 0.00 0.00 55.97 54.66 2nlu s LYS 8 Cb -0.31 -1.80 -0.17 0.00 -1.51 0.00 0.00 37.83 34.04 2nlu s LYS 8 CO 0.35 -1.30 0.68 0.39 -0.36 0.00 0.00 175.35 175.11 2nlu n GLU 9 N 3.11 0.64 -4.04 4.03 4.71 -1.26 -4.80 120.64 123.03 2nlu n GLU 9 Ca 0.21 0.09 -0.34 0.00 -0.01 0.00 0.00 57.16 57.11 2nlu n GLU 9 Cb 0.42 -1.71 -0.15 0.00 -1.01 0.00 0.00 31.44 28.99 2nlu n GLU 9 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 2nlu s TYR 10 N -3.04 2.88 -0.37 -0.32 2.02 -1.26 -5.02 117.35 112.25 2nlu s TYR 10 Ca -0.05 -1.17 -0.25 0.00 -0.37 0.00 0.00 57.07 55.23 2nlu s TYR 10 Cb 0.09 -2.02 0.01 0.00 -0.40 0.00 0.00 41.96 39.64 2nlu s TYR 10 CO 0.83 -0.62 0.88 0.21 -1.57 0.00 0.00 175.55 175.28 2nlu s LYS 11 N 1.35 3.81 0.00 -0.62 2.20 -1.26 -3.98 119.74 121.24 2nlu s LYS 11 Ca 0.04 0.50 0.00 0.00 -0.36 0.00 0.00 55.97 56.15 2nlu s LYS 11 Cb -0.14 -3.80 0.00 0.00 -1.51 0.00 0.00 37.83 32.38 2nlu s LYS 11 CO -0.06 -0.92 0.00 0.00 -0.36 0.00 0.00 175.35 174.01 2nlu n GLY 13 N 0.00 0.03 7.00 0.00 0.00 -1.26 -4.94 105.19 106.02 2nlu n GLY 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2nlu n GLY 13 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2nlu n ASP 14 N 0.00 -3.85 -4.11 1.61 8.00 -0.79 -4.72 116.55 112.69 2nlu n ASP 14 Ca 0.00 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.18 2nlu n ASP 14 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 40.94 2nlu n ASP 14 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2nlu s LEU 15 N 0.00 2.06 0.00 0.64 0.20 -1.26 -1.98 118.68 118.33 2nlu s LEU 15 Ca 0.00 -0.62 -0.01 0.00 0.69 0.00 0.00 54.13 54.19 2nlu s LEU 15 Cb 0.00 -1.43 0.00 0.00 -0.43 0.00 0.00 46.19 44.33 2nlu s LEU 15 CO 0.00 -0.01 0.04 1.33 -0.29 0.00 0.00 176.35 177.42 2nlu n VAL 16 N 4.62 0.00 -3.11 1.68 0.24 -0.89 -5.01 118.33 115.86 2nlu n VAL 16 Ca -0.20 -0.07 -0.40 0.00 -2.04 0.00 0.00 64.34 61.63 2nlu n VAL 16 Cb 0.50 0.05 -0.06 0.00 -1.47 0.00 0.00 33.84 32.86 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 -7.20 3.33 0.16 6.34 0.40 -1.26 -0.54 117.98 119.20 2nlu s PHE 17 Ca 0.01 0.88 0.05 0.00 -0.60 0.00 0.00 56.93 57.27 2nlu s PHE 17 Cb -0.00 -2.82 -0.04 0.00 0.51 0.00 0.00 43.02 40.67 2nlu s PHE 17 CO 0.01 -0.25 0.13 0.00 0.70 0.00 0.00 175.22 175.81 2nlu s ALA 18 N 2.21 3.56 -0.45 5.36 0.00 0.96 -4.83 121.76 128.56 2nlu s ALA 18 Ca 0.27 -1.20 -0.14 0.00 0.00 0.00 0.00 51.96 50.90 2nlu s ALA 18 Cb -0.16 -1.37 0.07 0.00 0.00 0.00 0.00 23.12 21.66 2nlu s ALA 18 CO 0.09 0.53 0.36 0.21 0.00 0.00 0.00 175.76 176.95 2nlu s LYS 19 N -3.03 2.91 0.23 0.00 2.20 -1.26 -0.85 119.74 119.95 2nlu s LYS 19 Ca 0.31 -1.33 -0.01 0.00 -0.36 0.00 0.00 55.97 54.58 2nlu s LYS 19 Cb -0.10 -4.05 -0.04 0.00 -1.51 0.00 0.00 37.83 32.13 2nlu s LYS 19 CO 0.23 -0.98 0.43 1.41 -0.36 0.00 0.00 175.35 176.08 2nlu s MET 20 N 1.61 3.53 -0.13 4.03 -2.45 -0.06 -4.99 119.30 120.84 2nlu s MET 20 Ca 0.04 -0.31 -0.29 0.00 -1.25 0.00 0.00 55.69 53.88 2nlu s MET 20 Cb -0.23 -2.79 -0.05 0.00 1.25 0.00 0.00 34.83 33.00 2nlu s MET 20 CO 0.06 0.34 1.88 0.21 1.05 0.00 0.00 175.02 178.57 2nlu s LYS 21 N -3.51 3.76 0.00 4.11 2.47 -1.26 -0.90 119.74 124.41 2nlu s LYS 21 Ca 0.39 2.10 0.00 0.00 -1.56 0.00 0.00 55.97 56.90 2nlu s LYS 21 Cb -0.11 -4.16 0.00 0.00 -1.46 0.00 0.00 37.83 32.10 2nlu s LYS 21 CO 0.30 -1.36 0.00 0.41 0.16 0.00 0.00 175.35 174.86 2nlu n GLY 22 N 4.86 3.06 2.84 5.54 0.00 -1.26 -5.02 105.19 115.21 2nlu n GLY 22 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.87 2.02 0.14 1.61 2.02 -0.08 -5.03 117.35 115.17 2nlu s TYR 23 Ca 0.00 -1.68 -0.20 0.00 -0.37 0.00 0.00 57.07 54.81 2nlu s TYR 23 Cb 0.00 -1.64 0.02 0.00 -0.40 0.00 0.00 41.96 39.94 2nlu s TYR 23 CO 0.00 -0.79 1.67 -1.00 -1.57 0.00 0.00 175.55 173.86 2nlu h PRO 24 N 8.02 -0.10 -2.91 -1.71 0.13 -1.90 -0.12 132.00 133.41 2nlu h PRO 24 Ca -0.15 0.01 -0.26 0.00 -0.87 0.00 0.00 66.00 64.73 2nlu h PRO 24 Cb 1.06 0.02 -0.34 0.00 0.13 0.00 0.00 31.00 31.87 2nlu h PRO 24 CO 0.43 -0.07 -0.59 -1.01 -0.23 0.00 0.00 178.00 176.53 2nlu s HIS 25 N -6.17 -0.30 -0.03 1.56 3.76 -1.26 -4.25 115.29 108.60 2nlu s HIS 25 Ca -0.14 0.71 -0.02 0.00 -0.15 0.00 0.00 55.06 55.46 2nlu s HIS 25 Cb 0.12 -0.18 0.02 0.00 1.11 0.00 0.00 32.58 33.65 2nlu s HIS 25 CO 0.69 -0.35 0.08 -0.46 -0.85 0.00 0.00 174.74 173.84 2nlu s TRP 26 N 2.35 -0.07 -0.10 1.40 -0.00 -0.03 -4.95 118.94 117.54 2nlu s TRP 26 Ca 0.03 0.24 -0.29 0.00 -0.00 0.00 0.00 56.10 56.08 2nlu s TRP 26 Cb -0.13 -0.06 -0.06 0.00 -0.00 0.00 0.00 33.47 33.22 2nlu s TRP 26 CO -0.08 -0.08 1.92 -2.14 -0.00 0.00 0.00 176.95 176.57 2nlu s PRO 27 N 0.55 3.79 0.08 5.86 0.02 -1.26 -0.03 135.00 144.02 2nlu s PRO 27 Ca -0.04 2.18 0.03 0.00 0.02 0.00 0.00 61.00 63.19 2nlu s PRO 27 Cb -0.06 -4.17 -0.04 0.00 0.02 0.00 0.00 34.50 30.25 2nlu s PRO 27 CO -0.02 -1.33 -0.08 0.00 -0.33 0.00 0.00 177.00 175.23 2nlu s ALA 28 N 5.62 0.93 0.11 -1.55 0.00 0.30 -4.89 121.76 122.29 2nlu s ALA 28 Ca 0.86 -1.15 0.08 0.00 0.00 0.00 0.00 51.96 51.74 2nlu s ALA 28 Cb -0.35 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 2nlu s ALA 28 CO 0.36 -0.11 -0.12 0.50 0.00 0.00 0.00 175.76 176.38 2nlu s ARG 29 N -2.93 2.02 0.19 0.00 3.52 -1.26 -2.09 118.95 118.40 2nlu s ARG 29 Ca 0.04 -1.09 -0.29 0.00 -0.13 0.00 0.00 55.73 54.26 2nlu s ARG 29 Cb -0.01 -2.24 -0.08 0.00 -1.56 0.00 0.00 34.95 31.06 2nlu s ARG 29 CO -0.02 0.49 0.91 -1.50 -0.81 0.00 0.00 175.30 174.38 2nlu s ILE 30 N -1.24 4.25 0.01 4.11 -1.16 -0.84 -5.03 121.20 121.31 2nlu s ILE 30 Ca 0.21 2.00 0.06 0.00 -0.51 0.00 0.00 60.65 62.41 2nlu s ILE 30 Cb -0.11 -4.29 -0.02 0.00 0.61 0.00 0.00 42.46 38.66 2nlu s ILE 30 CO 0.13 0.45 -0.18 -0.62 -2.81 0.00 0.00 174.94 171.91 2nlu s ASP 31 N -0.84 2.17 -0.10 4.50 2.15 -1.26 -4.91 116.67 118.39 2nlu s ASP 31 Ca 0.41 -0.41 -0.03 0.00 0.43 0.00 0.00 52.55 52.95 2nlu s ASP 31 Cb -0.25 -0.21 -0.03 0.00 -0.30 0.00 0.00 42.92 42.13 2nlu s ASP 31 CO 0.30 0.17 0.03 -1.61 -0.17 0.00 0.00 175.17 173.89 2nlu s GLU 32 N -0.78 3.15 -0.23 4.34 2.02 -1.26 -4.99 118.70 120.95 2nlu s GLU 32 Ca 0.06 -0.36 -0.05 0.00 0.02 0.00 0.00 54.97 54.65 2nlu s GLU 32 Cb -0.08 -2.89 0.12 0.00 0.10 0.00 0.00 34.13 31.38 2nlu s GLU 32 CO 0.00 0.68 0.41 1.41 0.02 0.00 0.00 175.26 177.78 2nlu s MET 33 N -0.79 0.35 0.68 1.61 1.75 -1.26 -5.04 119.30 116.60 2nlu s MET 33 Ca 0.12 0.81 -0.17 0.00 -1.25 0.00 0.00 55.69 55.21 2nlu s MET 33 Cb -0.12 -0.02 -0.00 0.00 2.84 0.00 0.00 34.83 37.53 2nlu s MET 33 CO 0.02 -0.45 1.12 -2.30 -0.65 0.00 0.00 175.02 172.76 2nlu n PRO 34 N 5.38 0.79 0.00 4.11 -0.02 -1.26 -0.35 135.00 143.65 2nlu n PRO 34 Ca -0.06 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 2nlu n PRO 34 Cb 0.50 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 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 -1.86 0.00 -0.04 -0.52 2.13 0.76 -4.56 120.64 116.55 2nlu n GLU 35 Ca 0.14 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.93 2nlu n GLU 35 Cb 0.49 -0.24 -0.01 0.00 0.27 0.00 0.00 31.44 31.95 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 0.00 0.32 -0.08 4.31 0.00 -1.10 -4.79 120.51 119.18 2nlu n ALA 36 Ca 0.00 -0.39 -0.21 0.00 0.00 0.00 0.00 53.44 52.84 2nlu n ALA 36 Cb 0.00 0.01 -0.12 0.00 0.00 0.00 0.00 19.45 19.34 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 -3.19 1.12 -2.61 0.00 0.00 0.53 -4.77 120.51 111.59 2nlu n ALA 37 Ca -0.05 -0.84 -0.42 0.00 0.00 0.00 0.00 53.44 52.13 2nlu n ALA 37 Cb 0.19 -0.34 -0.03 0.00 0.00 0.00 0.00 19.45 19.27 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 -2.51 3.97 -0.90 0.00 1.01 -0.53 -4.82 120.40 116.62 2nlu s VAL 38 Ca -0.30 0.48 0.13 0.00 0.00 0.00 0.00 61.98 62.29 2nlu s VAL 38 Cb 0.09 -4.78 0.38 0.00 0.00 0.00 0.00 36.38 32.06 2nlu s VAL 38 CO 0.64 -1.55 1.31 1.17 0.00 0.00 0.00 175.10 176.68 2nlu n LYS 39 N 8.64 2.91 -0.15 2.72 4.81 -1.26 -0.17 118.16 135.66 2nlu n LYS 39 Ca 0.04 -2.24 0.11 0.00 -0.87 0.00 0.00 58.31 55.35 2nlu n LYS 39 Cb 0.48 -1.40 0.19 0.00 0.02 0.00 0.00 35.03 34.32 2nlu n LYS 39 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2nlu n SER 40 N 0.47 3.34 -0.30 3.14 2.88 -1.26 -4.22 113.62 117.66 2nlu n SER 40 Ca 0.14 -1.97 0.13 0.00 -1.33 0.00 0.00 58.87 55.84 2nlu n SER 40 Cb 0.53 -0.20 0.59 0.00 -0.75 0.00 0.00 64.21 64.37 2nlu n SER 40 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2nlu n THR 41 N 1.42 0.05 -3.42 2.46 -2.24 -1.26 -4.70 114.28 106.60 2nlu n THR 41 Ca 0.18 -0.17 -0.44 0.00 -2.27 0.00 0.00 64.05 61.35 2nlu n THR 41 Cb 0.59 0.09 -0.08 0.00 -2.10 0.00 0.00 70.33 68.83 2nlu n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2nlu s ALA 42 N -1.95 3.53 -0.42 6.98 0.00 -1.26 -5.01 121.76 123.63 2nlu s ALA 42 Ca 0.37 -1.99 0.04 0.00 0.00 0.00 0.00 51.96 50.38 2nlu s ALA 42 Cb 0.19 -3.01 0.11 0.00 0.00 0.00 0.00 23.12 20.42 2nlu s ALA 42 CO 0.30 -1.64 0.15 1.21 0.00 0.00 0.00 175.76 175.78 2nlu s ASN 43 N 2.29 4.54 -0.04 0.00 3.84 -1.26 -5.06 114.94 119.26 2nlu s ASN 43 Ca 0.04 -2.54 -0.01 0.00 0.21 0.00 0.00 52.86 50.56 2nlu s ASN 43 Cb -0.23 -1.62 0.03 0.00 -0.55 0.00 0.00 41.25 38.89 2nlu s ASN 43 CO 0.08 -0.31 0.06 -0.75 -2.79 0.00 0.00 177.10 173.38 2nlu s LYS 44 N 0.37 -0.05 0.68 0.43 2.20 -1.26 -4.92 119.74 117.18 2nlu s LYS 44 Ca 0.14 0.32 -0.09 0.00 -0.36 0.00 0.00 55.97 55.97 2nlu s LYS 44 Cb -0.22 -0.38 0.03 0.00 -1.51 0.00 0.00 37.83 35.74 2nlu s LYS 44 CO -0.05 -0.26 1.04 0.71 -0.36 0.00 0.00 175.35 176.43 2nlu s TYR 45 N 1.72 3.21 -0.50 4.03 2.02 -0.30 -4.81 117.35 122.72 2nlu s TYR 45 Ca -0.01 0.81 -0.17 0.00 -0.37 0.00 0.00 57.07 57.33 2nlu s TYR 45 Cb -0.12 -3.04 0.08 0.00 -0.40 0.00 0.00 41.96 38.48 2nlu s TYR 45 CO -0.03 -1.18 0.49 -0.65 -1.57 0.00 0.00 175.55 172.61 2nlu s GLN 46 N -5.26 3.02 -0.33 -0.62 -0.21 -1.26 -1.58 119.66 113.42 2nlu s GLN 46 Ca 0.58 -1.29 -0.18 0.00 0.02 0.00 0.00 55.36 54.48 2nlu s GLN 46 Cb -0.11 -4.16 -0.01 0.00 1.00 0.00 0.00 33.01 29.73 2nlu s GLN 46 CO 0.49 -1.16 0.53 0.08 -2.12 0.00 0.00 175.29 173.11 2nlu s VAL 47 N 1.96 5.01 -0.33 1.09 1.01 0.14 -4.89 120.40 124.39 2nlu s VAL 47 Ca 0.07 0.52 -0.19 0.00 0.00 0.00 0.00 61.98 62.37 2nlu s VAL 47 Cb -0.24 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.19 2nlu s VAL 47 CO 0.07 -0.16 0.59 0.12 0.00 0.00 0.00 175.10 175.72 2nlu s PHE 48 N 2.43 3.19 -0.16 5.22 5.36 -1.26 -0.03 117.98 132.73 2nlu s PHE 48 Ca 0.20 0.39 -0.22 0.00 -0.96 0.00 0.00 56.93 56.35 2nlu s PHE 48 Cb -0.15 -2.99 -0.03 0.00 -0.34 0.00 0.00 43.02 39.51 2nlu s PHE 48 CO 0.13 -0.52 0.67 -0.06 -1.46 0.00 0.00 175.22 173.97 2nlu s PHE 49 N 2.55 3.44 0.11 10.12 0.40 0.82 -4.95 117.98 130.47 2nlu s PHE 49 Ca 0.23 1.06 -0.14 0.00 -0.60 0.00 0.00 56.93 57.48 2nlu s PHE 49 Cb -0.15 -2.82 -0.08 0.00 0.51 0.00 0.00 43.02 40.48 2nlu s PHE 49 CO 0.13 -0.10 1.43 0.74 0.70 0.00 0.00 175.22 178.12 2nlu h PHE 50 N 7.23 0.90 0.56 0.36 0.04 -1.92 -0.42 116.94 123.70 2nlu h PHE 50 Ca -0.34 -0.27 -0.03 0.00 2.80 0.00 0.00 57.97 60.13 2nlu h PHE 50 Cb 1.16 -0.19 0.01 0.00 2.20 0.00 0.00 35.95 39.12 2nlu h PHE 50 CO 0.69 1.04 -0.27 0.78 -0.60 0.00 0.00 178.31 179.95 2nlu h GLY 51 N 0.50 -0.79 1.75 -1.45 0.00 -1.93 -2.82 103.07 98.34 2nlu h GLY 51 Ca 0.05 0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.67 2nlu h GLY 51 CO 0.08 -0.29 -0.16 -1.30 0.00 0.00 0.00 176.54 174.87 2nlu n THR 52 N -5.39 0.34 -3.41 4.70 -2.24 -1.26 -4.41 114.28 102.61 2nlu n THR 52 Ca -0.12 -0.18 -0.23 0.00 -2.27 0.00 0.00 64.05 61.24 2nlu n THR 52 Cb 0.32 -0.40 0.07 0.00 -2.10 0.00 0.00 70.33 68.22 2nlu n THR 52 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2nlu n HIS 53 N -1.97 -2.58 -4.18 4.78 -0.00 -0.21 -5.00 115.22 106.07 2nlu n HIS 53 Ca 0.05 0.86 -0.16 0.00 -0.00 0.00 0.00 57.72 58.48 2nlu n HIS 53 Cb 0.40 -4.81 -0.11 0.00 -0.00 0.00 0.00 29.99 25.46 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 -6.12 0.84 -0.18 -0.41 2.02 -0.91 -4.94 118.70 109.00 2nlu s GLU 54 Ca 0.50 -1.10 -0.17 0.00 0.02 0.00 0.00 54.97 54.22 2nlu s GLU 54 Cb -0.22 -0.62 -0.04 0.00 0.10 0.00 0.00 34.13 33.35 2nlu s GLU 54 CO 0.62 0.11 0.45 0.99 0.02 0.00 0.00 175.26 177.45 2nlu s THR 55 N -2.08 5.17 -0.08 3.63 2.01 -1.26 -0.12 115.64 122.91 2nlu s THR 55 Ca 0.03 0.84 0.04 0.00 0.31 0.00 0.00 61.69 62.92 2nlu s THR 55 Cb -0.05 -3.78 -0.01 0.00 0.01 0.00 0.00 72.50 68.67 2nlu s THR 55 CO 0.01 0.26 -0.23 0.00 -0.69 0.00 0.00 174.62 173.97 2nlu s ALA 56 N 1.17 2.22 -0.79 7.40 0.00 0.96 -4.94 121.76 127.78 2nlu s ALA 56 Ca 0.22 -0.99 -0.25 0.00 0.00 0.00 0.00 51.96 50.94 2nlu s ALA 56 Cb -0.15 -0.80 0.05 0.00 0.00 0.00 0.00 23.12 22.22 2nlu s ALA 56 CO 0.09 0.34 1.25 -0.06 0.00 0.00 0.00 175.76 177.38 2nlu s PHE 57 N 0.11 2.43 0.33 0.00 0.08 -1.26 0.24 117.98 119.91 2nlu s PHE 57 Ca -0.11 -0.35 0.10 0.00 0.12 0.00 0.00 56.93 56.69 2nlu s PHE 57 Cb -0.16 -4.57 -0.06 0.00 -0.57 0.00 0.00 43.02 37.66 2nlu s PHE 57 CO 0.06 -1.95 -0.12 -0.51 -0.10 0.00 0.00 175.22 172.60 2nlu s LEU 58 N 5.16 2.69 0.52 -0.37 1.43 -0.61 -4.90 118.68 122.60 2nlu s LEU 58 Ca 0.35 -1.16 0.05 0.00 -1.03 0.00 0.00 54.13 52.34 2nlu s LEU 58 Cb -0.08 -1.02 0.04 0.00 0.03 0.00 0.00 46.19 45.16 2nlu s LEU 58 CO 0.08 -0.14 0.72 -0.83 0.23 0.00 0.00 176.35 176.41 2nlu s GLY 59 N -3.58 1.85 0.55 -3.19 0.00 -1.26 -1.15 107.32 100.54 2nlu s GLY 59 Ca 0.32 -1.66 0.22 0.00 0.00 0.00 0.00 44.72 43.60 2nlu s GLY 59 CO 0.16 -1.35 2.18 -2.55 0.00 0.00 0.00 173.10 171.54 2nlu h PRO 60 N 0.25 0.00 0.00 2.90 0.11 -1.93 -0.80 132.00 132.52 2nlu h PRO 60 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2nlu h PRO 60 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2nlu h PRO 60 CO 0.46 0.02 0.00 0.87 -0.21 0.00 0.00 178.00 179.13 2nlu h LYS 61 N 0.00 0.00 -0.01 1.05 1.57 -2.02 -2.40 116.57 114.77 2nlu h LYS 61 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2nlu h LYS 61 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2nlu h LYS 61 CO 0.00 0.00 -0.09 -0.25 -0.57 0.00 0.00 179.45 178.54 2nlu n ASP 62 N -2.31 0.77 -4.38 0.86 8.00 -0.31 -4.78 116.55 114.40 2nlu n ASP 62 Ca 0.05 -0.93 -0.36 0.00 0.71 0.00 0.00 54.79 54.26 2nlu n ASP 62 Cb 0.43 -0.01 -0.13 0.00 -0.02 0.00 0.00 41.12 41.39 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 -2.29 3.43 -0.17 0.64 2.96 -0.90 -4.95 118.68 117.40 2nlu s LEU 63 Ca 0.33 -0.42 -0.01 0.00 -0.22 0.00 0.00 54.13 53.81 2nlu s LEU 63 Cb 0.20 -1.86 -0.01 0.00 0.50 0.00 0.00 46.19 45.03 2nlu s LEU 63 CO 0.43 -0.08 -0.11 -0.36 -1.32 0.00 0.00 176.35 174.91 2nlu s PHE 64 N 1.54 2.85 -0.33 5.38 0.08 -1.26 -4.98 117.98 121.27 2nlu s PHE 64 Ca 0.05 -0.93 -0.40 0.00 0.12 0.00 0.00 56.93 55.78 2nlu s PHE 64 Cb -0.16 -1.95 -0.15 0.00 -0.57 0.00 0.00 43.02 40.19 2nlu s PHE 64 CO 0.01 -0.44 1.90 -2.30 -0.10 0.00 0.00 175.22 174.29 2nlu n PRO 65 N 4.18 0.97 0.29 0.24 -0.02 -1.26 -4.80 135.00 134.61 2nlu n PRO 65 Ca -0.19 0.33 0.18 0.00 -2.02 0.00 0.00 63.50 61.81 2nlu n PRO 65 Cb 0.52 -2.11 0.83 0.00 -0.02 0.00 0.00 33.50 32.71 2nlu n PRO 65 CO 0.00 0.00 0.00 0.10 1.98 0.00 0.00 175.50 177.58 2nlu h TYR 66 N 8.68 0.00 0.00 6.00 -0.00 -1.97 0.73 116.97 130.41 2nlu h TYR 66 Ca -0.37 0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 58.35 2nlu h TYR 66 Cb 1.33 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 38.06 2nlu h TYR 66 CO 0.84 0.02 -0.02 1.49 -0.00 0.00 0.00 178.16 180.49 2nlu h GLU 67 N 0.00 0.00 0.00 0.10 4.81 -1.99 0.57 114.58 118.07 2nlu h GLU 67 Ca -0.00 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.89 2nlu h GLU 67 Cb 0.37 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.69 2nlu h GLU 67 CO 0.00 0.02 -2.29 0.39 -0.73 0.00 0.00 179.01 176.40 2nlu n GLU 68 N -4.37 0.62 -0.15 1.92 1.02 -0.83 -4.64 120.64 114.20 2nlu n GLU 68 Ca -0.03 0.12 -0.10 0.00 -0.02 0.00 0.00 57.16 57.13 2nlu n GLU 68 Cb 0.10 -1.45 -0.01 0.00 -0.02 0.00 0.00 31.44 30.06 2nlu n GLU 68 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 2nlu h SER 69 N 0.00 0.69 0.00 1.62 0.02 -0.58 -2.76 113.55 112.54 2nlu h SER 69 Ca -0.50 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.17 2nlu h SER 69 Cb 1.81 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 64.17 2nlu h SER 69 CO -0.07 0.79 0.04 0.50 -1.14 0.00 0.00 176.83 176.95 2nlu h LYS 70 N 0.57 0.00 0.31 3.45 3.11 -0.09 0.36 116.57 124.28 2nlu h LYS 70 Ca 0.13 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.95 2nlu h LYS 70 Cb 0.40 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.63 2nlu h LYS 70 CO 0.01 0.00 -0.15 0.93 -2.81 0.00 0.00 179.45 177.43 2nlu h GLU 71 N 0.00 -0.40 0.00 1.90 5.08 -1.68 -2.33 114.58 117.15 2nlu h GLU 71 Ca 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2nlu h GLU 71 Cb 0.08 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2nlu h GLU 71 CO 0.00 -0.19 -0.38 -0.22 -1.00 0.00 0.00 179.01 177.22 2nlu h LYS 72 N -1.07 0.00 -0.50 2.33 3.64 -1.48 -2.99 116.57 116.50 2nlu h LYS 72 Ca -0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2nlu h LYS 72 Cb 0.39 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2nlu h LYS 72 CO 0.07 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 178.44 2nlu n PHE 73 N -2.88 0.70 -1.87 1.91 3.72 0.06 -4.80 117.46 114.30 2nlu n PHE 73 Ca 0.03 -0.51 -0.42 0.00 -0.05 0.00 0.00 57.45 56.49 2nlu n PHE 73 Cb 0.53 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 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 0.92 4.14 2.77 1.37 0.00 -0.88 -4.72 105.19 108.79 2nlu n GLY 74 Ca 0.17 -1.58 -0.16 0.00 0.00 0.00 0.00 46.02 44.45 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 3.32 0.53 0.12 1.61 1.02 -1.26 -5.00 119.74 120.09 2nlu s LYS 75 Ca 0.48 -0.58 -0.31 0.00 0.02 0.00 0.00 55.97 55.57 2nlu s LYS 75 Cb 0.12 -0.67 -0.10 0.00 -0.52 0.00 0.00 37.83 36.66 2nlu s LYS 75 CO -0.06 -1.14 1.71 -1.25 -0.92 0.00 0.00 175.35 173.69 2nlu s PRO 76 N 1.78 4.17 0.17 -1.68 0.04 -1.26 -5.01 135.00 133.21 2nlu s PRO 76 Ca 0.14 2.47 -0.01 0.00 0.04 0.00 0.00 61.00 63.63 2nlu s PRO 76 Cb -0.15 -3.44 0.04 0.00 0.04 0.00 0.00 34.50 30.99 2nlu s PRO 76 CO -0.14 -0.75 0.24 0.09 0.04 0.00 0.00 177.00 176.48 2nlu n ASN 77 N 5.10 0.18 -1.35 6.66 5.03 -1.26 -4.99 115.26 124.63 2nlu n ASN 77 Ca 0.16 -1.19 0.12 0.00 0.87 0.00 0.00 54.58 54.54 2nlu n ASN 77 Cb 0.39 -0.17 0.32 0.00 -1.02 0.00 0.00 39.78 39.30 2nlu n ASN 77 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2nlu n LYS 78 N -1.47 2.73 -3.45 3.52 4.76 -1.26 -4.73 118.16 118.26 2nlu n LYS 78 Ca 0.03 -2.66 -0.38 0.00 -2.87 0.00 0.00 58.31 52.43 2nlu n LYS 78 Cb 0.12 -1.57 -0.09 0.00 -1.84 0.00 0.00 35.03 31.66 2nlu n LYS 78 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2nlu s ARG 79 N -1.01 4.09 0.29 1.97 0.52 -1.26 -4.98 118.95 118.56 2nlu s ARG 79 Ca 0.49 0.03 -0.01 0.00 -0.52 0.00 0.00 55.73 55.72 2nlu s ARG 79 Cb 0.26 -3.59 0.45 0.00 0.52 0.00 0.00 34.95 32.59 2nlu s ARG 79 CO 0.33 -0.11 1.92 -0.22 0.02 0.00 0.00 175.30 177.24 2nlu h LYS 80 N 7.74 1.09 -0.56 3.54 1.63 -1.97 0.41 116.57 128.45 2nlu h LYS 80 Ca -0.35 -0.07 -0.02 0.00 -0.85 0.00 0.00 60.65 59.36 2nlu h LYS 80 Cb 1.16 -0.25 -0.03 0.00 -0.60 0.00 0.00 32.23 32.52 2nlu h LYS 80 CO 0.67 0.72 0.25 0.78 -3.45 0.00 0.00 179.45 178.42 2nlu h GLY 81 N 1.12 0.87 1.04 5.01 0.00 -1.94 0.29 103.07 109.47 2nlu h GLY 81 Ca 0.38 -0.45 -0.14 0.00 0.00 0.00 0.00 47.33 47.13 2nlu h GLY 81 CO -0.13 0.42 -0.32 -2.75 0.00 0.00 0.00 176.54 173.77 2nlu h PHE 82 N 0.75 0.98 -0.23 5.60 3.57 -1.63 -2.28 116.94 123.70 2nlu h PHE 82 Ca 0.19 -0.29 0.01 0.00 3.53 0.00 0.00 57.97 61.41 2nlu h PHE 82 Cb 0.15 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 2nlu h PHE 82 CO 0.00 1.07 0.12 0.77 -2.23 0.00 0.00 178.31 178.04 2nlu h SER 83 N 0.60 0.18 -0.37 0.41 0.02 -0.61 0.07 113.55 113.87 2nlu h SER 83 Ca 0.06 0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.06 2nlu h SER 83 Cb 0.90 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 63.37 2nlu h SER 83 CO 0.08 0.14 0.13 -0.33 -1.14 0.00 0.00 176.83 175.71 2nlu h GLU 84 N 0.25 0.28 -0.28 3.45 4.39 -0.42 0.27 114.58 122.52 2nlu h GLU 84 Ca 0.09 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 2nlu h GLU 84 Cb 0.01 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 2nlu h GLU 84 CO -0.06 0.18 0.15 0.78 -1.16 0.00 0.00 179.01 178.90 2nlu h GLY 85 N 0.29 0.42 1.42 -3.84 0.00 -1.03 0.28 103.07 100.60 2nlu h GLY 85 Ca 0.17 -0.19 -0.16 0.00 0.00 0.00 0.00 47.33 47.15 2nlu h GLY 85 CO -0.17 0.19 -0.51 -2.00 0.00 0.00 0.00 176.54 174.05 2nlu h LEU 86 N 0.33 0.68 0.23 3.11 6.46 -0.76 -1.25 115.31 124.10 2nlu h LEU 86 Ca 0.10 -0.35 -0.01 0.00 -0.12 0.00 0.00 57.88 57.50 2nlu h LEU 86 Cb 0.08 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 39.82 2nlu h LEU 86 CO -0.01 1.06 -0.11 -0.25 -0.62 0.00 0.00 178.44 178.51 2nlu h TRP 87 N 0.49 -0.29 -0.10 1.25 7.01 -0.30 0.28 115.95 124.28 2nlu h TRP 87 Ca 0.02 -0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.04 2nlu h TRP 87 Cb 1.05 0.10 -0.00 0.00 -2.10 0.00 0.00 29.16 28.20 2nlu h TRP 87 CO 0.05 -0.02 0.10 1.49 -2.79 0.00 0.00 178.44 177.26 2nlu h GLU 88 N -0.53 0.00 0.07 2.65 4.57 -0.39 0.89 114.58 121.84 2nlu h GLU 88 Ca -0.03 0.00 -0.29 0.00 -1.18 0.00 0.00 59.36 57.86 2nlu h GLU 88 Cb 0.40 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.96 2nlu h GLU 88 CO 0.05 0.00 -1.53 0.82 -1.18 0.00 0.00 179.01 177.17 2nlu h ILE 89 N 0.00 1.12 -0.06 2.32 1.08 -0.92 -2.88 117.51 118.17 2nlu h ILE 89 Ca 0.05 -2.83 -0.15 0.00 -0.39 0.00 0.00 64.86 61.53 2nlu h ILE 89 Cb 0.24 2.67 0.01 0.00 -3.07 0.00 0.00 36.82 36.67 2nlu h ILE 89 CO -0.00 0.77 -0.55 -0.08 -0.69 0.00 0.00 178.15 177.59 2nlu h GLU 90 N 0.04 0.49 -0.14 2.37 4.57 0.10 -3.11 114.58 118.89 2nlu h GLU 90 Ca -0.23 -0.44 0.00 0.00 -1.18 0.00 0.00 59.36 57.51 2nlu h GLU 90 Cb 1.98 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 30.67 2nlu h GLU 90 CO 0.13 1.08 0.00 0.27 -1.18 0.00 0.00 179.01 179.31 2nlu n ASN 91 N -4.21 1.19 -2.94 1.04 2.04 0.16 -4.44 115.26 108.10 2nlu n ASN 91 Ca -0.09 -1.70 -0.06 0.00 -0.44 0.00 0.00 54.58 52.29 2nlu n ASN 91 Cb 0.63 -0.09 -0.01 0.00 -2.53 0.00 0.00 39.78 37.78 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 -1.44 -1.10 0.00 0.53 3.04 -1.09 -5.04 114.94 109.85 2nlu s ASN 92 Ca 0.28 -1.64 0.00 0.00 0.04 0.00 0.00 52.86 51.54 2nlu s ASN 92 Cb 0.14 1.65 0.00 0.00 -1.54 0.00 0.00 41.25 41.50 2nlu s ASN 92 CO 0.22 -0.10 0.00 -0.81 -3.04 0.00 0.00 177.10 173.37 2nlu n PRO 93 N 3.32 0.00 -3.60 0.43 -0.05 -1.18 -4.36 135.00 129.56 2nlu n PRO 93 Ca 0.17 0.06 -0.27 0.00 -0.05 0.00 0.00 63.50 63.41 2nlu n PRO 93 Cb 0.55 -0.50 -0.10 0.00 -0.05 0.00 0.00 33.50 33.40 2nlu n PRO 93 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 175.50 177.86 2nlu n THR 94 N -0.85 1.03 -3.74 0.52 -1.04 -1.26 -5.04 114.28 103.91 2nlu n THR 94 Ca 0.00 -4.59 -0.12 0.00 -2.04 0.00 0.00 64.05 57.29 2nlu n THR 94 Cb 0.00 -2.04 -0.12 0.00 -1.82 0.00 0.00 70.33 66.35 2nlu n THR 94 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 2nlu s VAL 95 N -1.42 -0.02 -0.75 12.58 -7.23 -1.26 -5.11 120.40 117.18 2nlu s VAL 95 Ca 0.32 0.09 -0.19 0.00 -1.81 0.00 0.00 61.98 60.39 2nlu s VAL 95 Cb 0.05 -0.43 0.12 0.00 0.56 0.00 0.00 36.38 36.68 2nlu s VAL 95 CO -0.13 0.04 0.89 -0.75 -0.31 0.00 0.00 175.10 174.84 2nlu s LYS 96 N 0.94 3.31 0.00 4.82 2.36 -1.26 -4.77 119.74 125.14 2nlu s LYS 96 Ca -0.06 -1.54 0.00 0.00 -2.55 0.00 0.00 55.97 51.81 2nlu s LYS 96 Cb -0.07 -4.49 0.00 0.00 -1.05 0.00 0.00 37.83 32.21 2nlu s LYS 96 CO -0.07 -1.63 0.00 0.00 1.55 0.00 0.00 175.35 175.21 2nlu n ALA 97 N 6.30 0.00 -3.26 3.13 0.00 -1.26 -4.56 120.51 120.86 2nlu n ALA 97 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.36 2nlu n ALA 97 Cb 0.46 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.82 2nlu n ALA 97 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2nlu s SER 98 N -2.80 -0.27 -0.65 0.00 0.15 -1.26 -5.12 113.70 103.75 2nlu s SER 98 Ca 0.00 0.29 -0.01 0.00 0.70 0.00 0.00 55.95 56.93 2nlu s SER 98 Cb 0.00 0.44 0.16 0.00 -1.71 0.00 0.00 66.02 64.91 2nlu s SER 98 CO 0.00 -0.38 0.45 -0.83 1.20 0.00 0.00 173.24 173.68 2nlu s GLY 99 N -0.95 2.61 0.00 9.45 0.00 -1.26 -5.15 107.32 112.02 2nlu s GLY 99 Ca -0.10 -3.40 0.05 0.00 0.00 0.00 0.00 44.72 41.28 2nlu s GLY 99 CO 0.04 1.09 0.67 2.98 0.00 0.00 0.00 173.10 177.88