#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 0.90 -0.62 7.83 0.02 -2.11 -3.47 113.55 116.10 2nlu h SER 2 Ca 0.00 -0.81 -0.27 0.00 -0.84 0.00 0.00 61.79 59.87 2nlu h SER 2 Cb 0.00 -0.28 -0.10 0.00 0.14 0.00 0.00 62.40 62.15 2nlu h SER 2 CO 0.00 1.62 -0.24 0.54 -1.14 0.00 0.00 176.83 177.60 2nlu n ARG 3 N -3.80 -1.43 -0.01 3.45 1.74 -1.26 -4.86 116.66 110.50 2nlu n ARG 3 Ca -0.14 0.94 -0.20 0.00 -0.77 0.00 0.00 57.85 57.68 2nlu n ARG 3 Cb 0.98 -5.23 -0.14 0.00 -1.02 0.00 0.00 32.46 27.05 2nlu n ARG 3 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2nlu h SER 4 N 0.00 0.31 -2.61 0.55 4.64 -2.05 -3.42 113.55 110.97 2nlu h SER 4 Ca -0.27 -0.85 -0.65 0.00 -0.47 0.00 0.00 61.79 59.56 2nlu h SER 4 Cb 1.11 -0.10 -0.16 0.00 -0.31 0.00 0.00 62.40 62.94 2nlu h SER 4 CO 0.39 1.49 0.57 0.21 -0.87 0.00 0.00 176.83 178.62 2nlu s ASN 5 N -6.91 6.27 -0.00 4.97 2.47 -1.26 -4.71 114.94 115.77 2nlu s ASN 5 Ca -0.20 -1.25 0.02 0.00 0.42 0.00 0.00 52.86 51.85 2nlu s ASN 5 Cb 0.03 -2.40 -0.02 0.00 -1.45 0.00 0.00 41.25 37.40 2nlu s ASN 5 CO 0.75 -1.34 0.06 0.54 -3.72 0.00 0.00 177.10 173.40 2nlu n ARG 6 N 7.35 3.47 -3.16 0.43 5.12 -1.26 -5.01 116.66 123.59 2nlu n ARG 6 Ca 0.02 -0.01 -0.39 0.00 -1.93 0.00 0.00 57.85 55.54 2nlu n ARG 6 Cb 0.46 -0.80 -0.05 0.00 -1.16 0.00 0.00 32.46 30.91 2nlu n ARG 6 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2nlu s GLN 7 N -1.62 4.37 0.00 5.56 -0.21 -1.26 -4.93 119.66 121.57 2nlu s GLN 7 Ca 0.00 0.75 0.12 0.00 0.02 0.00 0.00 55.36 56.25 2nlu s GLN 7 Cb 0.01 -3.39 0.24 0.00 1.00 0.00 0.00 33.01 30.87 2nlu s GLN 7 CO 0.08 0.23 1.12 1.63 -2.12 0.00 0.00 175.29 176.23 2nlu n LYS 8 N 3.21 1.96 -3.33 2.91 4.01 -1.26 -4.93 118.16 120.74 2nlu n LYS 8 Ca -0.05 -1.75 -0.44 0.00 -0.51 0.00 0.00 58.31 55.57 2nlu n LYS 8 Cb 0.51 -1.27 -0.08 0.00 -0.51 0.00 0.00 35.03 33.68 2nlu n LYS 8 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 2nlu s GLU 9 N -1.01 3.05 0.27 1.97 2.56 -1.26 -5.06 118.70 119.21 2nlu s GLU 9 Ca 0.21 -1.00 -0.25 0.00 0.00 0.00 0.00 54.97 53.92 2nlu s GLU 9 Cb 0.12 -4.05 -0.09 0.00 2.00 0.00 0.00 34.13 32.11 2nlu s GLU 9 CO 0.17 -0.97 0.88 0.71 -0.56 0.00 0.00 175.26 175.49 2nlu s TYR 10 N 2.02 3.76 0.18 5.30 2.02 -1.26 -5.07 117.35 124.31 2nlu s TYR 10 Ca 0.09 1.71 0.10 0.00 -0.37 0.00 0.00 57.07 58.61 2nlu s TYR 10 Cb -0.20 -2.85 -0.04 0.00 -0.40 0.00 0.00 41.96 38.47 2nlu s TYR 10 CO 0.11 0.32 -0.23 0.15 -1.57 0.00 0.00 175.55 174.33 2nlu s LYS 11 N -1.77 1.43 -0.12 -0.62 -0.14 -1.26 -5.04 119.74 112.21 2nlu s LYS 11 Ca 0.45 -1.47 -0.40 0.00 -1.36 0.00 0.00 55.97 53.20 2nlu s LYS 11 Cb -0.20 -1.69 -0.18 0.00 -1.68 0.00 0.00 37.83 34.08 2nlu s LYS 11 CO 0.25 0.36 1.39 0.00 -0.76 0.00 0.00 175.35 176.60 2nlu n GLY 13 N 2.83 1.96 3.77 0.00 0.00 -0.33 -4.95 105.19 108.47 2nlu n GLY 13 Ca 0.23 -0.19 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 2nlu n GLY 13 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2nlu s ASP 14 N 0.00 6.94 -0.05 1.61 1.11 -1.02 -4.66 116.67 120.60 2nlu s ASP 14 Ca 0.00 2.33 -0.13 0.00 0.18 0.00 0.00 52.55 54.92 2nlu s ASP 14 Cb 0.00 -2.62 -0.05 0.00 1.07 0.00 0.00 42.92 41.32 2nlu s ASP 14 CO 0.00 -0.38 0.35 -0.22 1.18 0.00 0.00 175.17 176.10 2nlu s LEU 15 N -1.91 4.42 0.00 1.23 1.98 -1.26 -1.24 118.68 121.89 2nlu s LEU 15 Ca 0.50 0.81 -0.01 0.00 -2.89 0.00 0.00 54.13 52.54 2nlu s LEU 15 Cb -0.32 -2.48 0.00 0.00 0.66 0.00 0.00 46.19 44.06 2nlu s LEU 15 CO 0.41 0.29 0.20 1.33 -1.89 0.00 0.00 176.35 176.69 2nlu n VAL 16 N 2.19 0.00 -4.21 1.68 0.24 0.21 -4.99 118.33 113.44 2nlu n VAL 16 Ca -0.14 -0.73 -0.34 0.00 -2.04 0.00 0.00 64.34 61.09 2nlu n VAL 16 Cb 0.53 0.45 -0.14 0.00 -1.47 0.00 0.00 33.84 33.20 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 -4.17 2.89 0.24 6.34 0.40 -1.26 0.03 117.98 122.44 2nlu s PHE 17 Ca 0.12 -0.93 0.02 0.00 -0.60 0.00 0.00 56.93 55.55 2nlu s PHE 17 Cb -0.00 -2.00 -0.03 0.00 0.51 0.00 0.00 43.02 41.50 2nlu s PHE 17 CO 0.09 -0.47 0.40 0.00 0.70 0.00 0.00 175.22 175.94 2nlu s ALA 18 N 1.08 3.86 -0.32 5.36 0.00 0.83 -4.84 121.76 127.73 2nlu s ALA 18 Ca 0.00 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 50.93 2nlu s ALA 18 Cb -0.15 -1.88 0.10 0.00 0.00 0.00 0.00 23.12 21.19 2nlu s ALA 18 CO -0.02 0.27 0.08 0.21 0.00 0.00 0.00 175.76 176.30 2nlu s LYS 19 N -3.80 0.97 0.19 0.00 2.20 -1.26 -0.85 119.74 117.20 2nlu s LYS 19 Ca 0.36 -1.33 0.09 0.00 -0.36 0.00 0.00 55.97 54.73 2nlu s LYS 19 Cb -0.10 -2.39 -0.04 0.00 -1.51 0.00 0.00 37.83 33.79 2nlu s LYS 19 CO 0.31 -0.96 -0.06 1.41 -0.36 0.00 0.00 175.35 175.68 2nlu s MET 20 N 1.39 2.18 -0.16 4.03 1.75 -0.58 -5.03 119.30 122.88 2nlu s MET 20 Ca 0.10 -1.25 -0.29 0.00 -1.25 0.00 0.00 55.69 53.00 2nlu s MET 20 Cb -0.18 -2.21 -0.04 0.00 2.84 0.00 0.00 34.83 35.24 2nlu s MET 20 CO -0.19 0.43 1.78 0.15 -0.65 0.00 0.00 175.02 176.54 2nlu s LYS 21 N -2.97 3.79 0.00 4.11 -0.14 -1.26 -0.58 119.74 122.69 2nlu s LYS 21 Ca 0.26 1.95 0.00 0.00 -1.36 0.00 0.00 55.97 56.83 2nlu s LYS 21 Cb -0.09 -4.11 0.00 0.00 -1.68 0.00 0.00 37.83 31.95 2nlu s LYS 21 CO 0.17 -1.32 0.00 0.41 -0.76 0.00 0.00 175.35 173.85 2nlu n GLY 22 N 4.76 2.56 2.66 -3.33 0.00 -1.26 -5.02 105.19 105.56 2nlu n GLY 22 Ca 0.21 0.00 -0.30 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 -2.45 1.48 0.06 1.61 2.02 0.25 -5.05 117.35 115.27 2nlu s TYR 23 Ca 0.00 -1.83 -0.15 0.00 -0.37 0.00 0.00 57.07 54.72 2nlu s TYR 23 Cb 0.00 -1.55 -0.05 0.00 -0.40 0.00 0.00 41.96 39.96 2nlu s TYR 23 CO 0.00 -0.84 1.25 -1.00 -1.57 0.00 0.00 175.55 173.40 2nlu h PRO 24 N 7.54 -0.21 -2.66 -1.71 0.13 -1.90 -1.55 132.00 131.65 2nlu h PRO 24 Ca -0.07 0.01 -0.29 0.00 -0.87 0.00 0.00 66.00 64.78 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 0.44 -0.14 -0.61 -1.01 -0.23 0.00 0.00 178.00 176.45 2nlu s HIS 25 N -4.23 -0.30 -0.05 1.56 3.76 -1.26 -4.39 115.29 110.38 2nlu s HIS 25 Ca -0.07 0.44 0.02 0.00 -0.15 0.00 0.00 55.06 55.30 2nlu s HIS 25 Cb 0.04 -0.28 0.02 0.00 1.11 0.00 0.00 32.58 33.47 2nlu s HIS 25 CO 0.28 -0.51 -0.07 -0.46 -0.85 0.00 0.00 174.74 173.13 2nlu s TRP 26 N 2.34 0.95 0.03 1.40 -0.11 -0.03 -4.91 118.94 118.62 2nlu s TRP 26 Ca 0.05 -0.30 -0.31 0.00 1.22 0.00 0.00 56.10 56.77 2nlu s TRP 26 Cb -0.14 -0.77 -0.10 0.00 -1.50 0.00 0.00 33.47 30.96 2nlu s TRP 26 CO -0.11 -0.20 1.94 -0.35 -4.62 0.00 0.00 176.95 173.61 2nlu n PRO 27 N 3.88 2.75 -4.05 5.86 -0.04 -1.26 -0.12 135.00 142.02 2nlu n PRO 27 Ca -0.24 1.01 -0.13 0.00 -0.04 0.00 0.00 63.50 64.09 2nlu n PRO 27 Cb 0.51 -2.93 -0.13 0.00 -0.04 0.00 0.00 33.50 30.91 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 4.12 0.34 0.21 0.55 0.00 0.10 -4.87 121.76 122.21 2nlu s ALA 28 Ca 0.89 -0.40 -0.02 0.00 0.00 0.00 0.00 51.96 52.42 2nlu s ALA 28 Cb -0.49 -0.00 -0.05 0.00 0.00 0.00 0.00 23.12 22.59 2nlu s ALA 28 CO 0.43 0.01 0.42 1.03 0.00 0.00 0.00 175.76 177.65 2nlu s ARG 29 N -0.74 3.55 -0.31 0.00 0.52 -1.26 -0.62 118.95 120.09 2nlu s ARG 29 Ca -0.05 -0.24 -0.26 0.00 -0.52 0.00 0.00 55.73 54.65 2nlu s ARG 29 Cb -0.05 -2.80 0.01 0.00 0.52 0.00 0.00 34.95 32.62 2nlu s ARG 29 CO -0.00 0.37 0.94 0.42 0.02 0.00 0.00 175.30 177.05 2nlu s ILE 30 N -1.89 4.65 -0.66 1.52 -1.09 -0.38 -4.96 121.20 118.40 2nlu s ILE 30 Ca 0.40 1.50 -0.12 0.00 -2.23 0.00 0.00 60.65 60.20 2nlu s ILE 30 Cb -0.11 -4.29 0.17 0.00 -1.58 0.00 0.00 42.46 36.65 2nlu s ILE 30 CO 0.29 -0.36 0.58 -0.62 -1.23 0.00 0.00 174.94 173.60 2nlu s ASP 31 N 1.61 6.23 -0.29 3.58 2.15 -1.26 -1.18 116.67 127.50 2nlu s ASP 31 Ca 0.39 -2.34 -0.10 0.00 0.43 0.00 0.00 52.55 50.93 2nlu s ASP 31 Cb -0.13 -2.13 -0.03 0.00 -0.30 0.00 0.00 42.92 40.33 2nlu s ASP 31 CO 0.13 -0.64 0.17 -0.70 -0.17 0.00 0.00 175.17 173.96 2nlu s GLU 32 N 0.73 3.71 0.10 4.34 2.12 -1.26 -5.00 118.70 123.44 2nlu s GLU 32 Ca 0.12 -0.48 0.10 0.00 0.36 0.00 0.00 54.97 55.07 2nlu s GLU 32 Cb -0.20 -3.60 -0.04 0.00 0.26 0.00 0.00 34.13 30.55 2nlu s GLU 32 CO -0.04 -0.27 -0.26 -1.64 -0.54 0.00 0.00 175.26 172.52 2nlu s MET 33 N 1.70 1.45 0.63 4.30 -1.94 -1.26 -4.77 119.30 119.40 2nlu s MET 33 Ca 0.06 -1.26 -0.18 0.00 -1.71 0.00 0.00 55.69 52.61 2nlu s MET 33 Cb -0.16 -1.83 -0.03 0.00 2.01 0.00 0.00 34.83 34.81 2nlu s MET 33 CO 0.09 0.44 1.02 -2.30 -0.01 0.00 0.00 175.02 174.26 2nlu n PRO 34 N 1.15 0.88 -0.19 2.03 -0.02 -1.26 -4.83 135.00 132.76 2nlu n PRO 34 Ca -0.18 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 2nlu n PRO 34 Cb 0.53 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 2nlu n PRO 34 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2nlu n GLU 35 N -1.29 0.69 0.05 -0.52 4.71 -1.26 -3.72 120.64 119.30 2nlu n GLU 35 Ca 0.14 0.00 -0.06 0.00 -0.01 0.00 0.00 57.16 57.23 2nlu n GLU 35 Cb 0.48 -1.15 -0.11 0.00 -1.01 0.00 0.00 31.44 29.64 2nlu n GLU 35 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2nlu h ALA 36 N 1.96 0.49 0.00 0.62 0.00 -1.95 -3.31 119.26 117.06 2nlu h ALA 36 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 54.91 53.90 2nlu h ALA 36 Cb 0.69 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2nlu h ALA 36 CO 0.00 1.27 0.00 0.00 0.00 0.00 0.00 179.25 180.52 2nlu n ALA 37 N -2.39 1.32 -4.07 0.00 0.00 -1.24 -4.80 120.51 109.32 2nlu n ALA 37 Ca -0.04 -0.13 -0.32 0.00 0.00 0.00 0.00 53.44 52.95 2nlu n ALA 37 Cb 0.95 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 20.24 2nlu n ALA 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2nlu s VAL 38 N -0.34 1.96 -1.73 0.00 0.11 -1.26 -4.67 120.40 114.47 2nlu s VAL 38 Ca 0.00 -1.10 0.00 0.00 -2.93 0.00 0.00 61.98 57.95 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 0.32 0.00 0.29 -3.33 0.00 0.00 175.10 172.38 2nlu n LYS 39 N 4.60 -1.71 -1.66 1.54 4.76 -1.26 -4.37 118.16 120.06 2nlu n LYS 39 Ca -0.18 0.97 -0.41 0.00 -2.87 0.00 0.00 58.31 55.83 2nlu n LYS 39 Cb 0.47 -5.55 -0.03 0.00 -1.84 0.00 0.00 35.03 28.08 2nlu n LYS 39 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2nlu s SER 40 N -2.18 5.16 -1.09 4.39 0.15 -1.25 -4.89 113.70 114.00 2nlu s SER 40 Ca 0.00 1.47 -0.09 0.00 0.70 0.00 0.00 55.95 58.02 2nlu s SER 40 Cb 0.00 -2.51 0.27 0.00 -1.71 0.00 0.00 66.02 62.07 2nlu s SER 40 CO 0.00 -2.26 1.08 -0.89 1.20 0.00 0.00 173.24 172.37 2nlu s THR 41 N 9.45 5.96 -0.23 6.45 2.01 -1.26 -4.95 115.64 133.06 2nlu s THR 41 Ca 0.95 -3.35 0.00 0.00 0.31 0.00 0.00 61.69 59.61 2nlu s THR 41 Cb -0.25 -4.58 0.06 0.00 0.01 0.00 0.00 72.50 67.73 2nlu s THR 41 CO 0.31 -1.17 -0.02 0.00 -0.69 0.00 0.00 174.62 173.05 2nlu s ALA 42 N -1.14 1.78 0.11 7.40 0.00 -1.26 -4.94 121.76 123.71 2nlu s ALA 42 Ca 0.30 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 50.98 2nlu s ALA 42 Cb -0.10 -1.41 0.00 0.00 0.00 0.00 0.00 23.12 21.61 2nlu s ALA 42 CO -0.08 -1.23 0.00 -1.71 0.00 0.00 0.00 175.76 172.74 2nlu n ASN 43 N 4.74 0.03 -4.65 0.00 5.15 -1.26 -5.04 115.26 114.23 2nlu n ASN 43 Ca -0.10 0.19 -0.38 0.00 -0.60 0.00 0.00 54.58 53.69 2nlu n ASN 43 Cb 0.44 0.12 -0.09 0.00 -0.53 0.00 0.00 39.78 39.72 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 -2.00 4.09 0.06 1.20 -0.14 -1.26 -4.00 119.74 117.69 2nlu s LYS 44 Ca 0.00 -0.06 0.01 0.00 -1.36 0.00 0.00 55.97 54.57 2nlu s LYS 44 Cb 0.00 -3.57 -0.04 0.00 -1.68 0.00 0.00 37.83 32.54 2nlu s LYS 44 CO 0.00 -0.05 0.13 0.71 -0.76 0.00 0.00 175.35 175.38 2nlu s TYR 45 N 1.38 3.34 -0.25 3.18 1.51 0.11 -4.88 117.35 121.74 2nlu s TYR 45 Ca 0.13 0.16 -0.26 0.00 -1.01 0.00 0.00 57.07 56.09 2nlu s TYR 45 Cb -0.15 -1.69 0.00 0.00 -0.11 0.00 0.00 41.96 40.01 2nlu s TYR 45 CO 0.07 0.56 0.89 -1.14 -1.11 0.00 0.00 175.55 174.82 2nlu s GLN 46 N -2.38 4.18 -0.20 -0.62 2.00 -1.26 -0.44 119.66 120.94 2nlu s GLN 46 Ca 0.31 1.04 -0.05 0.00 -2.00 0.00 0.00 55.36 54.65 2nlu s GLN 46 Cb -0.13 -3.65 -0.02 0.00 0.80 0.00 0.00 33.01 30.01 2nlu s GLN 46 CO 0.24 -0.58 0.00 0.08 -0.50 0.00 0.00 175.29 174.53 2nlu s VAL 47 N 2.98 3.97 -0.33 1.34 1.01 0.12 -4.93 120.40 124.56 2nlu s VAL 47 Ca 0.38 -0.31 -0.07 0.00 0.00 0.00 0.00 61.98 61.98 2nlu s VAL 47 Cb -0.15 -2.80 0.03 0.00 0.00 0.00 0.00 36.38 33.46 2nlu s VAL 47 CO 0.08 0.43 0.11 -0.36 0.00 0.00 0.00 175.10 175.35 2nlu s PHE 48 N 1.01 3.22 -0.37 5.22 0.40 -1.26 -1.26 117.98 124.94 2nlu s PHE 48 Ca 0.02 -1.24 -0.29 0.00 -0.60 0.00 0.00 56.93 54.82 2nlu s PHE 48 Cb -0.14 -2.29 0.02 0.00 0.51 0.00 0.00 43.02 41.11 2nlu s PHE 48 CO 0.02 -0.68 1.12 -0.06 0.70 0.00 0.00 175.22 176.32 2nlu s PHE 49 N 1.45 3.00 -0.01 0.36 0.40 0.10 -4.93 117.98 118.36 2nlu s PHE 49 Ca -0.00 1.02 -0.25 0.00 -0.60 0.00 0.00 56.93 57.09 2nlu s PHE 49 Cb -0.19 -3.95 -0.19 0.00 0.51 0.00 0.00 43.02 39.20 2nlu s PHE 49 CO 0.03 -1.01 1.29 0.74 0.70 0.00 0.00 175.22 176.97 2nlu h PHE 50 N 8.56 -0.05 0.02 0.36 0.04 -1.93 0.97 116.94 124.92 2nlu h PHE 50 Ca -0.22 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.55 2nlu h PHE 50 Cb 1.06 0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.23 2nlu h PHE 50 CO 0.88 0.38 -0.01 0.78 -0.60 0.00 0.00 178.31 179.74 2nlu h GLY 51 N -0.49 -0.03 2.00 -1.45 0.00 -1.82 -2.98 103.07 98.31 2nlu h GLY 51 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2nlu h GLY 51 CO 0.01 -0.01 0.00 -0.84 0.00 0.00 0.00 176.54 175.70 2nlu h THR 52 N -0.53 0.00 -4.97 4.70 2.02 -1.69 -3.43 112.91 109.01 2nlu h THR 52 Ca -0.00 -0.49 -0.36 0.00 0.77 0.00 0.00 66.41 66.32 2nlu h THR 52 Cb 0.50 1.47 0.10 0.00 -1.74 0.00 0.00 68.15 68.49 2nlu h THR 52 CO 0.01 0.00 -0.59 1.57 0.37 0.00 0.00 175.52 176.87 2nlu n HIS 53 N -3.01 -2.35 -4.49 3.16 -0.00 0.28 -5.00 115.22 103.81 2nlu n HIS 53 Ca 0.01 0.78 -0.24 0.00 0.46 0.00 0.00 57.72 58.73 2nlu n HIS 53 Cb 0.30 -4.50 -0.10 0.00 -0.12 0.00 0.00 29.99 25.57 2nlu n HIS 53 CO 0.00 0.00 0.00 -1.21 0.46 0.00 0.00 176.34 175.59 2nlu s GLU 54 N -6.00 1.70 -0.03 1.57 0.41 -0.87 -4.94 118.70 110.54 2nlu s GLU 54 Ca 0.45 -1.86 0.02 0.00 -0.41 0.00 0.00 54.97 53.17 2nlu s GLU 54 Cb -0.20 -1.51 0.01 0.00 -1.78 0.00 0.00 34.13 30.65 2nlu s GLU 54 CO 0.56 0.13 -0.06 0.99 -0.49 0.00 0.00 175.26 176.38 2nlu s THR 55 N -2.75 0.60 -0.09 3.63 2.01 -1.26 0.00 115.64 117.78 2nlu s THR 55 Ca 0.31 -0.23 -0.30 0.00 0.31 0.00 0.00 61.69 61.78 2nlu s THR 55 Cb 0.02 -0.56 0.08 0.00 0.01 0.00 0.00 72.50 72.05 2nlu s THR 55 CO 0.14 0.21 0.75 0.00 -0.69 0.00 0.00 174.62 175.03 2nlu s ALA 56 N 0.43 -1.80 -0.32 7.40 0.00 -0.39 -5.01 121.76 122.06 2nlu s ALA 56 Ca -0.06 1.42 -0.20 0.00 0.00 0.00 0.00 51.96 53.13 2nlu s ALA 56 Cb -0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 2nlu s ALA 56 CO 0.00 -0.35 0.62 -0.59 0.00 0.00 0.00 175.76 175.44 2nlu s PHE 57 N -1.05 3.20 0.47 0.00 -0.71 -1.26 0.13 117.98 118.76 2nlu s PHE 57 Ca -0.08 0.49 0.06 0.00 -1.04 0.00 0.00 56.93 56.37 2nlu s PHE 57 Cb -0.00 -3.01 -0.00 0.00 -1.21 0.00 0.00 43.02 38.79 2nlu s PHE 57 CO 0.08 -0.51 0.33 -0.51 -1.34 0.00 0.00 175.22 173.27 2nlu s LEU 58 N 2.61 3.00 0.48 -1.99 1.02 0.42 -4.81 118.68 119.40 2nlu s LEU 58 Ca 0.24 -1.07 0.04 0.00 0.02 0.00 0.00 54.13 53.37 2nlu s LEU 58 Cb -0.15 -1.49 0.02 0.00 0.02 0.00 0.00 46.19 44.59 2nlu s LEU 58 CO 0.13 -0.83 0.67 -0.83 0.02 0.00 0.00 176.35 175.51 2nlu s GLY 59 N -4.13 1.84 0.52 -3.19 0.00 -1.26 0.07 107.32 101.17 2nlu s GLY 59 Ca 0.39 -1.45 0.22 0.00 0.00 0.00 0.00 44.72 43.89 2nlu s GLY 59 CO 0.23 -1.22 2.12 -0.56 0.00 0.00 0.00 173.10 173.66 2nlu h PRO 60 N 0.36 0.00 0.00 2.90 0.13 -1.92 -0.41 132.00 133.06 2nlu h PRO 60 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2nlu h PRO 60 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2nlu h PRO 60 CO 0.50 0.08 0.00 1.17 -0.23 0.00 0.00 178.00 179.52 2nlu n LYS 61 N -4.05 0.13 0.00 0.86 4.81 -1.26 -2.18 118.16 116.48 2nlu n LYS 61 Ca -0.03 0.03 0.11 0.00 -0.87 0.00 0.00 58.31 57.56 2nlu n LYS 61 Cb 0.17 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.72 2nlu n LYS 61 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2nlu n ASP 62 N -1.43 1.71 -4.26 3.14 8.00 -0.17 -4.91 116.55 118.64 2nlu n ASP 62 Ca 0.09 -1.34 -0.33 0.00 0.71 0.00 0.00 54.79 53.91 2nlu n ASP 62 Cb 0.28 0.56 -0.15 0.00 -0.02 0.00 0.00 41.12 41.80 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 -2.60 2.52 -0.05 0.64 2.96 -0.92 -4.95 118.68 116.27 2nlu s LEU 63 Ca 0.16 -0.47 0.05 0.00 -0.22 0.00 0.00 54.13 53.65 2nlu s LEU 63 Cb 0.18 -1.58 -0.02 0.00 0.50 0.00 0.00 46.19 45.26 2nlu s LEU 63 CO 0.64 0.06 -0.17 -0.36 -1.32 0.00 0.00 176.35 175.20 2nlu s PHE 64 N 0.96 2.61 0.91 5.38 0.08 -1.26 -4.93 117.98 121.72 2nlu s PHE 64 Ca -0.02 -0.26 -0.13 0.00 0.12 0.00 0.00 56.93 56.65 2nlu s PHE 64 Cb -0.15 -1.61 0.05 0.00 -0.57 0.00 0.00 43.02 40.75 2nlu s PHE 64 CO -0.02 0.11 0.64 -2.30 -0.10 0.00 0.00 175.22 173.55 2nlu n PRO 65 N 2.40 -0.21 -0.08 0.24 -0.02 -1.26 -5.01 135.00 131.06 2nlu n PRO 65 Ca -0.17 -0.01 -0.08 0.00 -2.02 0.00 0.00 63.50 61.22 2nlu n PRO 65 Cb 0.52 -2.01 -0.03 0.00 -0.02 0.00 0.00 33.50 31.96 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 -3.56 0.13 -0.02 6.00 4.19 -1.26 -4.01 117.16 118.62 2nlu n TYR 66 Ca 0.09 0.06 -0.10 0.00 3.31 0.00 0.00 57.90 61.26 2nlu n TYR 66 Cb 0.53 -0.52 -0.03 0.00 0.49 0.00 0.00 39.34 39.80 2nlu n TYR 66 CO 0.00 0.00 0.00 0.93 0.91 0.00 0.00 176.86 178.70 2nlu h GLU 67 N -0.96 -0.32 0.07 2.98 5.08 -2.00 0.67 114.58 120.08 2nlu h GLU 67 Ca 0.00 0.02 -0.31 0.00 -1.00 0.00 0.00 59.36 58.07 2nlu h GLU 67 Cb 0.90 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.19 2nlu h GLU 67 CO 0.00 -0.22 -1.70 0.39 -1.00 0.00 0.00 179.01 176.48 2nlu n GLU 68 N -5.40 0.67 0.17 2.33 -0.58 -1.26 -4.28 120.64 112.29 2nlu n GLU 68 Ca -0.02 0.40 0.13 0.00 -0.42 0.00 0.00 57.16 57.25 2nlu n GLU 68 Cb 0.31 -1.72 0.51 0.00 -0.57 0.00 0.00 31.44 29.98 2nlu n GLU 68 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 2nlu h SER 69 N -0.43 0.00 -0.91 1.62 0.02 -1.68 -2.76 113.55 109.40 2nlu h SER 69 Ca -0.40 0.00 0.26 0.00 -0.84 0.00 0.00 61.79 60.81 2nlu h SER 69 Cb 1.70 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 64.21 2nlu h SER 69 CO -0.06 0.00 0.65 0.50 -1.14 0.00 0.00 176.83 176.79 2nlu h LYS 70 N 0.00 0.01 -0.79 3.45 3.64 -1.00 -0.22 116.57 121.66 2nlu h LYS 70 Ca 0.00 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 2nlu h LYS 70 Cb 0.49 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.27 2nlu h LYS 70 CO 0.00 0.00 0.34 0.93 -2.27 0.00 0.00 179.45 178.45 2nlu h GLU 71 N 0.01 1.16 0.00 1.90 5.08 -1.75 -1.62 114.58 119.36 2nlu h GLU 71 Ca 0.43 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 2nlu h GLU 71 Cb 1.73 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.78 2nlu h GLU 71 CO -0.01 0.92 -0.45 0.87 -1.00 0.00 0.00 179.01 179.35 2nlu h LYS 72 N 1.14 0.00 -0.39 2.33 1.79 -1.27 -3.10 116.57 117.07 2nlu h LYS 72 Ca 0.27 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.74 2nlu h LYS 72 Cb 0.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 2nlu h LYS 72 CO -0.03 0.00 0.00 1.19 -1.08 0.00 0.00 179.45 179.53 2nlu n PHE 73 N -2.52 0.95 -2.17 -1.35 3.72 -1.02 -4.91 117.46 110.16 2nlu n PHE 73 Ca 0.03 -0.68 -0.31 0.00 -0.05 0.00 0.00 57.45 56.44 2nlu n PHE 73 Cb 0.49 -0.21 -0.05 0.00 -0.94 0.00 0.00 39.48 38.77 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 -1.34 0.46 -0.32 1.37 0.00 -0.62 -4.80 107.32 102.07 2nlu s GLY 74 Ca 0.38 -2.03 -0.02 0.00 0.00 0.00 0.00 44.72 43.05 2nlu s GLY 74 CO 0.15 3.34 0.18 0.54 0.00 0.00 0.00 173.10 177.32 2nlu s LYS 75 N 6.23 0.36 -0.60 2.90 -0.14 -1.26 -5.08 119.74 122.15 2nlu s LYS 75 Ca 0.65 -0.85 -0.28 0.00 -1.36 0.00 0.00 55.97 54.13 2nlu s LYS 75 Cb -0.02 -1.17 0.02 0.00 -1.68 0.00 0.00 37.83 34.97 2nlu s LYS 75 CO 0.05 -1.11 1.38 -1.25 -0.76 0.00 0.00 175.35 173.67 2nlu s PRO 76 N 1.67 3.28 -0.09 -1.68 0.05 -1.26 -4.97 135.00 131.99 2nlu s PRO 76 Ca 0.13 0.31 0.03 0.00 0.05 0.00 0.00 61.00 61.52 2nlu s PRO 76 Cb -0.19 -4.13 0.01 0.00 0.05 0.00 0.00 34.50 30.24 2nlu s PRO 76 CO -0.20 -1.97 -0.19 -0.80 0.05 0.00 0.00 177.00 173.89 2nlu s ASN 77 N 4.25 2.59 -0.00 6.66 0.01 -1.26 -5.00 114.94 122.18 2nlu s ASN 77 Ca 0.49 -0.46 0.00 0.00 -0.71 0.00 0.00 52.86 52.17 2nlu s ASN 77 Cb -0.10 -1.18 0.01 0.00 0.41 0.00 0.00 41.25 40.38 2nlu s ASN 77 CO 0.23 0.09 0.72 0.29 -1.51 0.00 0.00 177.10 176.92 2nlu n LYS 78 N 3.75 1.02 -1.67 -0.60 5.02 -1.26 -4.09 118.16 120.33 2nlu n LYS 78 Ca -0.20 -0.02 -0.46 0.00 -2.02 0.00 0.00 58.31 55.61 2nlu n LYS 78 Cb 0.52 -1.29 -0.04 0.00 -0.02 0.00 0.00 35.03 34.20 2nlu n LYS 78 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2nlu n ARG 79 N 0.21 2.21 -0.29 1.97 1.74 -1.26 -4.63 116.66 116.61 2nlu n ARG 79 Ca 0.00 0.80 -0.05 0.00 -0.77 0.00 0.00 57.85 57.84 2nlu n ARG 79 Cb 0.36 -2.59 -0.00 0.00 -1.02 0.00 0.00 32.46 29.21 2nlu n ARG 79 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2nlu h LYS 80 N 6.70 -0.10 -0.23 5.56 1.57 -1.98 0.50 116.57 128.58 2nlu h LYS 80 Ca -0.46 0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.27 2nlu h LYS 80 Cb 1.25 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.57 2nlu h LYS 80 CO 0.90 -0.07 -0.11 0.78 -0.57 0.00 0.00 179.45 180.39 2nlu h GLY 81 N -0.10 0.41 1.44 3.86 0.00 -1.89 -0.89 103.07 105.90 2nlu h GLY 81 Ca 0.26 -0.26 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 2nlu h GLY 81 CO -0.83 0.24 -1.38 -2.75 0.00 0.00 0.00 176.54 171.83 2nlu h PHE 82 N 0.36 0.62 -0.27 5.60 3.57 -1.04 -3.21 116.94 122.57 2nlu h PHE 82 Ca 0.07 -0.46 -0.06 0.00 3.53 0.00 0.00 57.97 61.06 2nlu h PHE 82 Cb 0.41 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 2nlu h PHE 82 CO 0.01 1.39 -0.06 1.03 -2.23 0.00 0.00 178.31 178.45 2nlu h SER 83 N 0.09 0.52 -0.45 0.41 0.87 0.16 -2.06 113.55 113.09 2nlu h SER 83 Ca -0.19 -0.36 0.01 0.00 -1.23 0.00 0.00 61.79 60.02 2nlu h SER 83 Cb 2.04 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 63.83 2nlu h SER 83 CO 0.22 0.76 0.30 -0.33 -0.53 0.00 0.00 176.83 177.24 2nlu h GLU 84 N 0.27 0.57 -0.19 2.24 4.39 -1.29 0.49 114.58 121.07 2nlu h GLU 84 Ca 0.07 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.67 2nlu h GLU 84 Cb 0.53 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.05 2nlu h GLU 84 CO 0.03 0.38 -0.14 0.78 -1.16 0.00 0.00 179.01 178.90 2nlu h GLY 85 N 0.59 0.46 1.02 -3.84 0.00 -1.49 0.18 103.07 100.00 2nlu h GLY 85 Ca 0.17 -0.45 -0.08 0.00 0.00 0.00 0.00 47.33 46.97 2nlu h GLY 85 CO -0.04 0.40 -0.01 1.41 0.00 0.00 0.00 176.54 178.31 2nlu h LEU 86 N 0.10 0.88 0.09 3.11 3.38 -0.94 -1.71 115.31 120.22 2nlu h LEU 86 Ca 0.04 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2nlu h LEU 86 Cb 0.65 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2nlu h LEU 86 CO 0.04 0.98 -0.10 -0.25 0.09 0.00 0.00 178.44 179.20 2nlu h TRP 87 N 0.76 -0.25 -0.18 1.13 7.01 -0.89 -2.00 115.95 121.53 2nlu h TRP 87 Ca 0.14 0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.20 2nlu h TRP 87 Cb 0.54 0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 27.68 2nlu h TRP 87 CO 0.04 -0.15 0.17 1.49 -2.79 0.00 0.00 178.44 177.20 2nlu h GLU 88 N -0.21 0.00 0.00 2.65 4.57 -0.39 -1.06 114.58 120.14 2nlu h GLU 88 Ca 0.01 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 58.00 2nlu h GLU 88 Cb 0.21 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.76 2nlu h GLU 88 CO -0.03 0.00 -1.28 0.97 -1.18 0.00 0.00 179.01 177.49 2nlu h ILE 89 N 0.00 0.79 0.00 2.32 6.09 -0.88 -3.08 117.51 122.75 2nlu h ILE 89 Ca 0.09 -2.37 -0.15 0.00 -1.37 0.00 0.00 64.86 61.06 2nlu h ILE 89 Cb 0.43 2.29 -0.02 0.00 0.47 0.00 0.00 36.82 39.99 2nlu h ILE 89 CO -0.00 0.45 -0.70 -0.08 -3.07 0.00 0.00 178.15 174.75 2nlu h GLU 90 N 0.00 0.00 -0.37 2.19 4.81 -0.48 -3.09 114.58 117.65 2nlu h GLU 90 Ca -0.15 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 2nlu h GLU 90 Cb 1.67 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.05 2nlu h GLU 90 CO 0.07 0.70 0.00 0.27 -0.73 0.00 0.00 179.01 179.31 2nlu n ASN 91 N -3.40 3.38 -4.67 1.04 0.23 -0.96 -4.95 115.26 105.94 2nlu n ASN 91 Ca 0.00 -1.99 -0.42 0.00 -0.53 0.00 0.00 54.58 51.65 2nlu n ASN 91 Cb 0.77 -0.23 -0.03 0.00 -2.08 0.00 0.00 39.78 38.20 2nlu n ASN 91 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 2nlu s ASN 92 N -1.52 6.59 0.03 0.53 2.47 -1.16 -4.90 114.94 116.98 2nlu s ASN 92 Ca 0.38 2.42 0.01 0.00 0.42 0.00 0.00 52.86 56.08 2nlu s ASN 92 Cb 0.23 -2.54 -0.26 0.00 -1.45 0.00 0.00 41.25 37.23 2nlu s ASN 92 CO 0.32 -0.96 0.96 1.55 -3.72 0.00 0.00 177.10 175.25 2nlu h PRO 93 N 9.63 0.17 -3.62 0.43 0.13 -1.91 -3.40 132.00 133.43 2nlu h PRO 93 Ca -0.43 -0.30 -0.75 0.00 -0.87 0.00 0.00 66.00 63.65 2nlu h PRO 93 Cb 1.20 0.11 -0.14 0.00 0.13 0.00 0.00 31.00 32.30 2nlu h PRO 93 CO 0.95 1.03 2.14 2.41 -0.23 0.00 0.00 178.00 184.30 2nlu n THR 94 N -3.40 4.23 0.02 1.56 -1.04 -1.26 -4.44 114.28 109.95 2nlu n THR 94 Ca -0.12 -4.23 -0.18 0.00 -2.04 0.00 0.00 64.05 57.48 2nlu n THR 94 Cb 1.02 -2.39 -0.14 0.00 -1.82 0.00 0.00 70.33 67.00 2nlu n THR 94 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2nlu h VAL 95 N 3.81 0.82 -2.01 12.58 2.07 -2.00 -3.41 116.25 128.12 2nlu h VAL 95 Ca 0.41 -2.53 -0.68 0.00 0.82 0.00 0.00 66.70 64.72 2nlu h VAL 95 Cb 0.64 2.57 -0.16 0.00 -1.52 0.00 0.00 31.29 32.82 2nlu h VAL 95 CO 1.65 0.79 1.17 -1.59 0.02 0.00 0.00 177.57 179.61 2nlu s LYS 96 N -2.58 3.74 0.02 1.57 -2.85 -1.26 -4.87 119.74 113.50 2nlu s LYS 96 Ca -0.15 -1.85 -0.13 0.00 -1.00 0.00 0.00 55.97 52.85 2nlu s LYS 96 Cb 0.07 -5.08 -0.07 0.00 -2.06 0.00 0.00 37.83 30.69 2nlu s LYS 96 CO 0.81 -1.89 1.19 0.00 0.10 0.00 0.00 175.35 175.56 2nlu h ALA 97 N 8.54 -1.08 0.00 0.59 0.00 -1.96 -3.40 119.26 121.95 2nlu h ALA 97 Ca 0.22 -0.09 -0.35 0.00 0.00 0.00 0.00 54.91 54.69 2nlu h ALA 97 Cb 0.98 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 2nlu h ALA 97 CO 1.22 -1.05 -2.25 0.43 0.00 0.00 0.00 179.25 177.59 2nlu n SER 98 N -3.25 2.01 0.00 0.00 7.64 -1.26 -5.01 113.62 113.75 2nlu n SER 98 Ca -0.05 0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.89 2nlu n SER 98 Cb 0.18 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 2nlu n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2nlu n GLY 99 N 2.06 1.80 0.00 0.23 0.00 -1.26 -5.24 105.19 102.77 2nlu n GLY 99 Ca -0.41 0.10 0.04 0.00 0.00 0.00 0.00 46.02 45.74 2nlu n GLY 99 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60