#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nlu s SER 2 N 0.00 -0.23 -0.42 7.83 1.04 -1.26 -5.12 113.70 115.54 2nlu s SER 2 Ca 0.00 0.46 -0.17 0.00 0.48 0.00 0.00 55.95 56.72 2nlu s SER 2 Cb 0.00 0.38 0.02 0.00 0.10 0.00 0.00 66.02 66.52 2nlu s SER 2 CO 0.00 -0.14 0.42 -0.13 0.98 0.00 0.00 173.24 174.37 2nlu s ARG 3 N 0.91 3.07 0.40 4.02 3.00 -1.26 -4.93 118.95 124.16 2nlu s ARG 3 Ca -0.07 -0.81 0.14 0.00 0.00 0.00 0.00 55.73 55.00 2nlu s ARG 3 Cb -0.08 -3.97 0.85 0.00 0.00 0.00 0.00 34.95 31.75 2nlu s ARG 3 CO -0.06 -0.84 1.89 0.77 0.00 0.00 0.00 175.30 177.06 2nlu h SER 4 N 8.72 0.00 -3.82 0.23 0.02 -2.08 -3.43 113.55 113.19 2nlu h SER 4 Ca -0.26 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.19 2nlu h SER 4 Cb 1.11 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.68 2nlu h SER 4 CO 0.79 0.30 0.20 0.54 -1.14 0.00 0.00 176.83 177.51 2nlu s ASN 5 N -6.89 6.35 -0.30 3.07 4.22 -1.26 -5.05 114.94 115.07 2nlu s ASN 5 Ca -0.03 1.13 -0.09 0.00 -2.14 0.00 0.00 52.86 51.73 2nlu s ASN 5 Cb 0.15 -2.33 -0.01 0.00 1.28 0.00 0.00 41.25 40.33 2nlu s ASN 5 CO 0.71 -0.60 0.14 -0.13 -2.04 0.00 0.00 177.10 175.18 2nlu s ARG 6 N -4.56 3.41 0.41 3.55 1.81 -1.26 -5.08 118.95 117.22 2nlu s ARG 6 Ca 0.51 -0.67 -0.23 0.00 -1.72 0.00 0.00 55.73 53.61 2nlu s ARG 6 Cb -0.10 -3.53 -0.09 0.00 -0.45 0.00 0.00 34.95 30.77 2nlu s ARG 6 CO 0.43 -0.37 1.03 -1.14 -0.68 0.00 0.00 175.30 174.56 2nlu s GLN 7 N 1.62 4.15 0.50 3.54 0.74 -1.26 -5.06 119.66 123.89 2nlu s GLN 7 Ca 0.05 1.45 0.06 0.00 0.05 0.00 0.00 55.36 56.97 2nlu s GLN 7 Cb -0.17 -2.48 0.01 0.00 1.10 0.00 0.00 33.01 31.47 2nlu s GLN 7 CO 0.06 -0.14 0.34 0.15 -0.55 0.00 0.00 175.29 175.15 2nlu s LYS 8 N -2.61 2.30 0.10 1.67 -0.14 -1.26 -5.15 119.74 114.66 2nlu s LYS 8 Ca 0.59 -1.92 -0.21 0.00 -1.36 0.00 0.00 55.97 53.06 2nlu s LYS 8 Cb -0.20 -2.10 0.06 0.00 -1.68 0.00 0.00 37.83 33.90 2nlu s LYS 8 CO 0.25 -0.44 0.53 -1.83 -0.76 0.00 0.00 175.35 173.10 2nlu s GLU 9 N -4.17 1.14 -0.19 1.68 -1.05 -1.26 -5.15 118.70 109.70 2nlu s GLU 9 Ca 0.37 -0.42 -0.03 0.00 -0.15 0.00 0.00 54.97 54.74 2nlu s GLU 9 Cb -0.01 0.52 -0.01 0.00 -0.44 0.00 0.00 34.13 34.19 2nlu s GLU 9 CO 0.22 -0.45 -0.07 0.71 0.95 0.00 0.00 175.26 176.61 2nlu s TYR 10 N -3.22 2.92 0.31 4.83 2.02 -1.26 -5.09 117.35 117.87 2nlu s TYR 10 Ca -0.01 -0.89 -0.29 0.00 -0.37 0.00 0.00 57.07 55.51 2nlu s TYR 10 Cb -0.00 -2.03 -0.11 0.00 -0.40 0.00 0.00 41.96 39.42 2nlu s TYR 10 CO -0.08 -0.46 1.51 0.21 -1.57 0.00 0.00 175.55 175.16 2nlu s LYS 11 N 1.16 4.16 0.00 -0.62 2.20 -1.26 -4.84 119.74 120.54 2nlu s LYS 11 Ca 0.02 2.50 0.05 0.00 -0.36 0.00 0.00 55.97 58.18 2nlu s LYS 11 Cb -0.14 -3.02 0.28 0.00 -1.51 0.00 0.00 37.83 33.43 2nlu s LYS 11 CO -0.02 -0.53 0.66 0.00 -0.36 0.00 0.00 175.35 175.10 2nlu n GLY 13 N -0.48 0.92 1.74 0.00 0.00 -1.26 -3.97 105.19 102.15 2nlu n GLY 13 Ca 0.04 -0.53 -0.09 0.00 0.00 0.00 0.00 46.02 45.44 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 0.15 0.85 -3.83 1.61 -0.08 -0.82 -4.85 116.55 109.58 2nlu n ASP 14 Ca -0.07 -1.64 -0.13 0.00 -1.51 0.00 0.00 54.79 51.44 2nlu n ASP 14 Cb 0.95 -0.22 -0.14 0.00 2.34 0.00 0.00 41.12 44.05 2nlu n ASP 14 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 2nlu s LEU 15 N 0.00 1.59 0.00 -2.67 0.20 -1.26 -0.77 118.68 115.77 2nlu s LEU 15 Ca 0.28 0.06 0.01 0.00 0.69 0.00 0.00 54.13 55.17 2nlu s LEU 15 Cb -0.02 0.05 -0.00 0.00 -0.43 0.00 0.00 46.19 45.79 2nlu s LEU 15 CO 0.18 -0.05 0.27 1.33 -0.29 0.00 0.00 176.35 177.79 2nlu n VAL 16 N 3.46 0.00 -3.15 1.68 0.24 -0.36 -4.99 118.33 115.21 2nlu n VAL 16 Ca -0.18 -1.23 -0.39 0.00 -2.04 0.00 0.00 64.34 60.51 2nlu n VAL 16 Cb 0.57 0.71 -0.05 0.00 -1.47 0.00 0.00 33.84 33.59 2nlu n VAL 16 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 2nlu s PHE 17 N -3.45 3.57 -0.09 6.34 0.40 -1.26 -0.36 117.98 123.13 2nlu s PHE 17 Ca 0.20 1.13 0.02 0.00 -0.60 0.00 0.00 56.93 57.68 2nlu s PHE 17 Cb -0.00 -2.70 -0.02 0.00 0.51 0.00 0.00 43.02 40.81 2nlu s PHE 17 CO 0.14 0.15 -0.14 0.00 0.70 0.00 0.00 175.22 176.07 2nlu s ALA 18 N 0.59 2.61 -0.46 5.36 0.00 0.99 -4.88 121.76 125.96 2nlu s ALA 18 Ca 0.33 -0.94 -0.10 0.00 0.00 0.00 0.00 51.96 51.25 2nlu s ALA 18 Cb -0.17 -1.06 0.10 0.00 0.00 0.00 0.00 23.12 21.99 2nlu s ALA 18 CO 0.16 0.40 0.34 0.21 0.00 0.00 0.00 175.76 176.86 2nlu s LYS 19 N -0.17 2.60 0.19 0.00 2.20 -1.26 -0.69 119.74 122.61 2nlu s LYS 19 Ca -0.00 -1.63 0.04 0.00 -0.36 0.00 0.00 55.97 54.01 2nlu s LYS 19 Cb -0.13 -3.93 -0.03 0.00 -1.51 0.00 0.00 37.83 32.22 2nlu s LYS 19 CO 0.03 -1.12 0.31 1.41 -0.36 0.00 0.00 175.35 175.62 2nlu s MET 20 N 1.43 3.41 -0.18 4.03 -2.45 -0.74 -5.00 119.30 119.80 2nlu s MET 20 Ca 0.04 -0.69 -0.29 0.00 -1.25 0.00 0.00 55.69 53.51 2nlu s MET 20 Cb -0.25 -2.91 -0.04 0.00 1.25 0.00 0.00 34.83 32.87 2nlu s MET 20 CO 0.01 0.48 1.81 0.15 1.05 0.00 0.00 175.02 178.52 2nlu s LYS 21 N -3.57 3.69 0.00 4.11 3.01 -1.26 -0.71 119.74 125.01 2nlu s LYS 21 Ca 0.34 1.88 0.00 0.00 -1.01 0.00 0.00 55.97 57.19 2nlu s LYS 21 Cb -0.10 -4.14 0.00 0.00 -1.01 0.00 0.00 37.83 32.58 2nlu s LYS 21 CO 0.28 -1.44 0.00 0.41 0.51 0.00 0.00 175.35 175.12 2nlu n GLY 22 N 4.91 1.12 2.92 -3.33 0.00 -1.26 -5.04 105.19 104.51 2nlu n GLY 22 Ca 0.21 0.00 -0.29 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 -2.27 1.95 0.00 1.61 2.02 0.12 -5.08 117.35 115.70 2nlu s TYR 23 Ca 0.00 -1.27 0.00 0.00 -0.37 0.00 0.00 57.07 55.43 2nlu s TYR 23 Cb 0.00 -1.43 0.00 0.00 -0.40 0.00 0.00 41.96 40.13 2nlu s TYR 23 CO 0.00 -0.66 0.47 -0.35 -1.57 0.00 0.00 175.55 173.44 2nlu n PRO 24 N 4.81 0.00 -3.38 -1.71 -0.04 -1.26 -1.79 135.00 131.62 2nlu n PRO 24 Ca -0.13 0.18 -0.23 0.00 -0.04 0.00 0.00 63.50 63.29 2nlu n PRO 24 Cb 0.47 -0.97 -0.09 0.00 -0.04 0.00 0.00 33.50 32.87 2nlu n PRO 24 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2nlu s HIS 25 N -0.94 0.23 -0.12 0.54 3.76 -1.26 -4.30 115.29 113.20 2nlu s HIS 25 Ca 0.00 -1.33 -0.02 0.00 -0.15 0.00 0.00 55.06 53.56 2nlu s HIS 25 Cb 0.00 -0.64 -0.03 0.00 1.11 0.00 0.00 32.58 33.02 2nlu s HIS 25 CO 0.00 -0.91 -0.04 -0.46 -0.85 0.00 0.00 174.74 172.48 2nlu s TRP 26 N 1.08 3.03 0.15 1.40 -0.11 0.13 -4.82 118.94 119.81 2nlu s TRP 26 Ca 0.20 -0.12 -0.31 0.00 1.22 0.00 0.00 56.10 57.08 2nlu s TRP 26 Cb -0.15 -1.87 -0.11 0.00 -1.50 0.00 0.00 33.47 29.84 2nlu s TRP 26 CO -0.03 0.15 1.82 -2.30 -4.62 0.00 0.00 176.95 171.96 2nlu n PRO 27 N 2.95 2.82 -3.90 5.86 -0.02 -1.26 -0.01 135.00 141.44 2nlu n PRO 27 Ca -0.18 1.02 -0.11 0.00 -2.02 0.00 0.00 63.50 62.22 2nlu n PRO 27 Cb 0.53 -2.91 -0.10 0.00 -0.02 0.00 0.00 33.50 30.99 2nlu n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2nlu s ALA 28 N 2.35 -0.21 0.42 3.55 0.00 0.52 -4.86 121.76 123.54 2nlu s ALA 28 Ca 0.80 -0.21 -0.00 0.00 0.00 0.00 0.00 51.96 52.55 2nlu s ALA 28 Cb -0.48 0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.71 2nlu s ALA 28 CO 0.36 -0.18 0.65 1.03 0.00 0.00 0.00 175.76 177.61 2nlu s ARG 29 N -1.26 3.26 0.08 0.00 0.52 -1.26 -1.23 118.95 119.07 2nlu s ARG 29 Ca -0.14 -0.34 0.01 0.00 -0.52 0.00 0.00 55.73 54.74 2nlu s ARG 29 Cb -0.08 -2.56 -0.04 0.00 0.52 0.00 0.00 34.95 32.79 2nlu s ARG 29 CO 0.01 -0.13 0.22 -1.50 0.02 0.00 0.00 175.30 173.91 2nlu s ILE 30 N -2.51 5.29 -0.11 1.52 -1.16 0.05 -4.93 121.20 119.36 2nlu s ILE 30 Ca 0.45 -0.50 -0.04 0.00 -0.51 0.00 0.00 60.65 60.05 2nlu s ILE 30 Cb -0.10 -3.62 0.05 0.00 0.61 0.00 0.00 42.46 39.41 2nlu s ILE 30 CO 0.38 0.08 0.22 -0.62 -2.81 0.00 0.00 174.94 172.19 2nlu s ASP 31 N -2.68 0.38 -0.14 4.50 2.15 -1.26 -4.53 116.67 115.09 2nlu s ASP 31 Ca 0.34 0.48 -0.00 0.00 0.43 0.00 0.00 52.55 53.80 2nlu s ASP 31 Cb -0.12 0.49 -0.01 0.00 -0.30 0.00 0.00 42.92 42.97 2nlu s ASP 31 CO 0.28 -0.23 -0.14 -0.70 -0.17 0.00 0.00 175.17 174.21 2nlu s GLU 32 N 2.15 3.34 0.46 4.34 2.12 -1.25 -5.09 118.70 124.76 2nlu s GLU 32 Ca -0.00 -0.70 -0.15 0.00 0.36 0.00 0.00 54.97 54.47 2nlu s GLU 32 Cb -0.12 -2.63 -0.08 0.00 0.26 0.00 0.00 34.13 31.56 2nlu s GLU 32 CO -0.07 0.17 0.90 -1.64 -0.54 0.00 0.00 175.26 174.07 2nlu s MET 33 N 0.46 3.94 1.00 4.30 -1.94 -1.26 -5.06 119.30 120.75 2nlu s MET 33 Ca -0.10 0.82 -0.16 0.00 -1.71 0.00 0.00 55.69 54.54 2nlu s MET 33 Cb -0.16 -2.24 0.20 0.00 2.01 0.00 0.00 34.83 34.64 2nlu s MET 33 CO 0.05 -0.14 1.22 -2.14 -0.01 0.00 0.00 175.02 174.00 2nlu s PRO 34 N -3.80 0.38 -1.07 2.03 0.02 -1.26 -4.80 135.00 126.50 2nlu s PRO 34 Ca 0.57 -0.15 -0.24 0.00 0.02 0.00 0.00 61.00 61.20 2nlu s PRO 34 Cb -0.10 -1.79 -0.08 0.00 0.02 0.00 0.00 34.50 32.55 2nlu s PRO 34 CO 0.28 -2.63 1.96 -1.21 -0.33 0.00 0.00 177.00 175.07 2nlu s GLU 35 N -5.63 2.41 0.00 5.54 8.01 -1.26 -3.24 118.70 124.52 2nlu s GLU 35 Ca 0.70 -0.78 0.00 0.00 0.01 0.00 0.00 54.97 54.90 2nlu s GLU 35 Cb -0.08 -5.15 0.00 0.00 -4.31 0.00 0.00 34.13 24.59 2nlu s GLU 35 CO 0.53 -3.89 0.00 0.00 0.01 0.00 0.00 175.26 171.91 2nlu n ALA 36 N 14.71 0.00 -0.07 5.21 0.00 -1.26 -4.85 120.51 134.25 2nlu n ALA 36 Ca 0.43 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.80 2nlu n ALA 36 Cb 0.47 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.76 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 -2.13 1.66 -2.41 0.00 0.00 -1.20 -4.67 120.51 111.76 2nlu n ALA 37 Ca 0.00 -1.11 -0.28 0.00 0.00 0.00 0.00 53.44 52.05 2nlu n ALA 37 Cb 0.00 -0.40 -0.14 0.00 0.00 0.00 0.00 19.45 18.91 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 -2.64 1.96 -1.46 0.00 0.11 -1.22 -4.71 120.40 112.43 2nlu s VAL 38 Ca -0.08 -1.39 0.00 0.00 -2.93 0.00 0.00 61.98 57.58 2nlu s VAL 38 Cb 0.07 -1.70 0.00 0.00 -1.53 0.00 0.00 36.38 33.22 2nlu s VAL 38 CO 0.84 0.24 0.00 0.29 -3.33 0.00 0.00 175.10 173.14 2nlu n LYS 39 N 1.62 -1.72 -0.28 1.54 4.76 -1.26 -4.18 118.16 118.64 2nlu n LYS 39 Ca -0.17 0.82 -0.02 0.00 -2.87 0.00 0.00 58.31 56.07 2nlu n LYS 39 Cb 0.53 -5.29 0.16 0.00 -1.84 0.00 0.00 35.03 28.59 2nlu n LYS 39 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 2nlu h SER 40 N 0.00 1.01 -5.05 4.39 0.02 -1.84 -3.45 113.55 108.63 2nlu h SER 40 Ca -0.34 -0.06 -0.08 0.00 -0.84 0.00 0.00 61.79 60.47 2nlu h SER 40 Cb 1.15 -0.25 -0.16 0.00 0.14 0.00 0.00 62.40 63.27 2nlu h SER 40 CO 0.45 0.77 -0.15 0.28 -1.14 0.00 0.00 176.83 177.03 2nlu s THR 41 N -5.86 0.07 0.00 -2.27 -1.32 -1.26 -4.86 115.64 100.13 2nlu s THR 41 Ca -0.12 -0.55 0.00 0.00 -1.21 0.00 0.00 61.69 59.81 2nlu s THR 41 Cb 0.17 -0.97 0.00 0.00 -1.51 0.00 0.00 72.50 70.20 2nlu s THR 41 CO 0.81 -0.30 0.00 0.00 -2.21 0.00 0.00 174.62 172.91 2nlu n ALA 42 N 0.47 1.30 -2.56 11.08 0.00 -1.26 -4.99 120.51 124.56 2nlu n ALA 42 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.83 2nlu n ALA 42 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 2nlu n ALA 42 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2nlu n ASN 43 N -2.02 5.32 -3.87 0.00 2.85 -1.26 -4.88 115.26 111.40 2nlu n ASN 43 Ca 0.00 -3.13 -0.11 0.00 -0.11 0.00 0.00 54.58 51.22 2nlu n ASN 43 Cb 0.00 -1.46 -0.12 0.00 1.24 0.00 0.00 39.78 39.44 2nlu n ASN 43 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2nlu s LYS 44 N 0.03 0.21 0.44 1.20 -0.14 -1.26 -4.72 119.74 115.50 2nlu s LYS 44 Ca 0.38 -0.12 0.06 0.00 -1.36 0.00 0.00 55.97 54.94 2nlu s LYS 44 Cb 0.06 0.09 -0.03 0.00 -1.68 0.00 0.00 37.83 36.27 2nlu s LYS 44 CO 0.02 -0.04 0.20 0.71 -0.76 0.00 0.00 175.35 175.48 2nlu s TYR 45 N -0.51 2.39 -0.41 3.18 2.02 0.12 -4.91 117.35 119.25 2nlu s TYR 45 Ca -0.06 -0.66 -0.18 0.00 -0.37 0.00 0.00 57.07 55.81 2nlu s TYR 45 Cb -0.04 -1.93 0.01 0.00 -0.40 0.00 0.00 41.96 39.61 2nlu s TYR 45 CO 0.00 0.08 0.47 -0.65 -1.57 0.00 0.00 175.55 173.89 2nlu s GLN 46 N -3.97 3.25 -0.25 -0.62 -1.52 -1.26 -0.76 119.66 114.53 2nlu s GLN 46 Ca 0.37 -0.57 -0.10 0.00 -1.95 0.00 0.00 55.36 53.10 2nlu s GLN 46 Cb 0.03 -3.92 -0.05 0.00 -0.22 0.00 0.00 33.01 28.84 2nlu s GLN 46 CO 0.21 -0.81 0.15 0.08 -0.25 0.00 0.00 175.29 174.67 2nlu s VAL 47 N 2.27 5.23 -0.30 1.09 1.01 0.12 -4.93 120.40 124.89 2nlu s VAL 47 Ca 0.15 0.14 -0.17 0.00 0.00 0.00 0.00 61.98 62.10 2nlu s VAL 47 Cb -0.16 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 2nlu s VAL 47 CO 0.14 0.33 0.44 -0.36 0.00 0.00 0.00 175.10 175.65 2nlu s PHE 48 N 1.23 3.22 -0.14 5.22 0.40 -1.26 -1.52 117.98 125.12 2nlu s PHE 48 Ca 0.07 0.31 -0.23 0.00 -0.60 0.00 0.00 56.93 56.48 2nlu s PHE 48 Cb -0.14 -2.73 -0.03 0.00 0.51 0.00 0.00 43.02 40.63 2nlu s PHE 48 CO 0.06 -0.37 0.71 -0.06 0.70 0.00 0.00 175.22 176.26 2nlu s PHE 49 N 2.21 3.46 0.00 0.36 0.40 0.62 -4.96 117.98 120.07 2nlu s PHE 49 Ca 0.17 1.13 0.00 0.00 -0.60 0.00 0.00 56.93 57.63 2nlu s PHE 49 Cb -0.16 -2.86 0.00 0.00 0.51 0.00 0.00 43.02 40.51 2nlu s PHE 49 CO 0.11 -0.10 0.00 1.19 0.70 0.00 0.00 175.22 177.12 2nlu n PHE 50 N 4.67 -3.15 0.00 0.36 3.72 -1.26 -1.46 117.46 120.33 2nlu n PHE 50 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2nlu n PHE 50 Cb 0.50 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 2nlu n PHE 50 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2nlu n GLY 51 N 4.28 0.55 0.20 1.37 0.00 -1.26 -1.25 105.19 109.08 2nlu n GLY 51 Ca 0.00 0.61 0.15 0.00 0.00 0.00 0.00 46.02 46.78 2nlu n GLY 51 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2nlu h THR 52 N 0.00 0.00 -5.66 2.61 1.35 -1.87 -3.47 112.91 105.87 2nlu h THR 52 Ca 0.00 -0.31 -0.32 0.00 -0.55 0.00 0.00 66.41 65.23 2nlu h THR 52 Cb 0.00 1.14 0.16 0.00 -1.73 0.00 0.00 68.15 67.73 2nlu h THR 52 CO 0.00 0.00 -0.82 1.57 -0.25 0.00 0.00 175.52 176.02 2nlu n HIS 53 N -2.61 -2.25 -3.26 4.73 -0.00 -0.38 -5.02 115.22 106.43 2nlu n HIS 53 Ca 0.01 0.87 -0.21 0.00 0.46 0.00 0.00 57.72 58.85 2nlu n HIS 53 Cb 0.24 -4.55 0.03 0.00 -0.12 0.00 0.00 29.99 25.59 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 -5.10 2.38 -0.17 1.57 2.02 -0.54 -4.91 118.70 113.96 2nlu s GLU 54 Ca 0.20 -1.66 -0.04 0.00 0.02 0.00 0.00 54.97 53.49 2nlu s GLU 54 Cb -0.03 -2.52 0.09 0.00 0.10 0.00 0.00 34.13 31.76 2nlu s GLU 54 CO 0.75 -0.67 0.28 0.99 0.02 0.00 0.00 175.26 176.62 2nlu s THR 55 N -2.63 -0.43 0.31 3.63 2.01 -1.26 -0.28 115.64 117.00 2nlu s THR 55 Ca 0.54 0.10 0.06 0.00 0.31 0.00 0.00 61.69 62.69 2nlu s THR 55 Cb -0.05 -0.59 -0.02 0.00 0.01 0.00 0.00 72.50 71.85 2nlu s THR 55 CO 0.33 -0.02 0.21 0.00 -0.69 0.00 0.00 174.62 174.45 2nlu n ALA 56 N 5.35 0.60 -3.48 7.40 0.00 -0.58 -4.99 120.51 124.81 2nlu n ALA 56 Ca -0.06 -1.76 -0.35 0.00 0.00 0.00 0.00 53.44 51.27 2nlu n ALA 56 Cb 0.50 1.34 -0.14 0.00 0.00 0.00 0.00 19.45 21.15 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 -3.10 3.03 0.26 0.00 -0.71 -1.26 0.14 117.98 116.34 2nlu s PHE 57 Ca 0.30 -1.09 0.04 0.00 -1.04 0.00 0.00 56.93 55.14 2nlu s PHE 57 Cb 0.01 -2.13 -0.06 0.00 -1.21 0.00 0.00 43.02 39.64 2nlu s PHE 57 CO 0.21 -0.59 -0.00 -0.51 -1.34 0.00 0.00 175.22 172.98 2nlu s LEU 58 N 1.45 2.27 0.36 -1.99 1.02 0.06 -4.87 118.68 116.97 2nlu s LEU 58 Ca 0.04 -1.25 0.04 0.00 0.02 0.00 0.00 54.13 52.98 2nlu s LEU 58 Cb -0.15 -0.40 -0.03 0.00 0.02 0.00 0.00 46.19 45.63 2nlu s LEU 58 CO -0.02 -0.49 0.14 -0.83 0.02 0.00 0.00 176.35 175.17 2nlu s GLY 59 N -3.38 2.35 0.31 -3.19 0.00 -1.26 0.16 107.32 102.32 2nlu s GLY 59 Ca 0.31 -1.55 0.03 0.00 0.00 0.00 0.00 44.72 43.51 2nlu s GLY 59 CO 0.11 -1.73 1.88 -2.55 0.00 0.00 0.00 173.10 170.82 2nlu h PRO 60 N 1.98 0.89 -0.73 2.90 0.11 -1.86 -0.04 132.00 135.26 2nlu h PRO 60 Ca -0.35 -0.05 0.08 0.00 0.11 0.00 0.00 66.00 65.79 2nlu h PRO 60 Cb 1.26 -0.20 -0.05 0.00 0.11 0.00 0.00 31.00 32.12 2nlu h PRO 60 CO 0.55 0.59 0.48 -0.22 -0.21 0.00 0.00 178.00 179.19 2nlu h LYS 61 N 0.91 0.69 -0.17 1.05 3.64 -1.96 -2.43 116.57 118.31 2nlu h LYS 61 Ca 0.43 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.75 2nlu h LYS 61 Cb 0.42 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 2nlu h LYS 61 CO -0.19 0.46 -0.02 -0.40 -2.27 0.00 0.00 179.45 177.03 2nlu n ASP 62 N -4.49 3.19 -3.88 4.20 5.75 -0.38 -4.90 116.55 116.04 2nlu n ASP 62 Ca 0.11 -3.13 -0.27 0.00 -0.01 0.00 0.00 54.79 51.49 2nlu n ASP 62 Cb 0.27 -0.51 -0.17 0.00 -1.03 0.00 0.00 41.12 39.68 2nlu n ASP 62 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2nlu s LEU 63 N -2.89 1.36 -0.22 -2.12 2.96 -0.17 -4.75 118.68 112.86 2nlu s LEU 63 Ca 0.39 -0.49 -0.06 0.00 -0.22 0.00 0.00 54.13 53.75 2nlu s LEU 63 Cb 0.33 -0.85 -0.03 0.00 0.50 0.00 0.00 46.19 46.15 2nlu s LEU 63 CO 0.06 -0.16 0.02 -0.36 -1.32 0.00 0.00 176.35 174.59 2nlu s PHE 64 N 1.69 3.06 0.02 5.38 0.08 -1.26 -4.76 117.98 122.20 2nlu s PHE 64 Ca 0.03 -0.43 -0.30 0.00 0.12 0.00 0.00 56.93 56.34 2nlu s PHE 64 Cb -0.14 -2.13 -0.09 0.00 -0.57 0.00 0.00 43.02 40.08 2nlu s PHE 64 CO -0.08 -0.27 1.97 -2.30 -0.10 0.00 0.00 175.22 174.45 2nlu n PRO 65 N 4.44 2.80 0.11 0.24 -0.02 -1.26 -4.84 135.00 136.47 2nlu n PRO 65 Ca -0.17 1.03 0.11 0.00 -2.02 0.00 0.00 63.50 62.45 2nlu n PRO 65 Cb 0.52 -2.98 0.47 0.00 -0.02 0.00 0.00 33.50 31.48 2nlu n PRO 65 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 2nlu n TYR 66 N 7.50 0.68 0.29 6.00 4.11 -1.26 -0.17 117.16 134.30 2nlu n TYR 66 Ca 0.20 0.28 0.16 0.00 -0.00 0.00 0.00 57.90 58.54 2nlu n TYR 66 Cb 0.40 -0.95 0.90 0.00 -0.00 0.00 0.00 39.34 39.69 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 0.00 0.00 -3.48 4.81 -2.01 -2.69 114.58 111.20 2nlu h GLU 67 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2nlu h GLU 67 Cb 0.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.68 2nlu h GLU 67 CO 0.00 0.04 -0.64 0.39 -0.73 0.00 0.00 179.01 178.08 2nlu n GLU 68 N -3.58 2.50 0.22 1.92 1.02 -0.72 -4.76 120.64 117.24 2nlu n GLU 68 Ca -0.02 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.17 2nlu n GLU 68 Cb 0.14 -0.82 0.50 0.00 -0.02 0.00 0.00 31.44 31.24 2nlu n GLU 68 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2nlu h SER 69 N 0.00 0.00 -0.83 1.62 4.64 -0.62 0.44 113.55 118.80 2nlu h SER 69 Ca 0.00 0.00 0.17 0.00 -0.47 0.00 0.00 61.79 61.49 2nlu h SER 69 Cb 0.56 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.60 2nlu h SER 69 CO 0.00 0.22 0.55 0.07 -0.87 0.00 0.00 176.83 176.80 2nlu h LYS 70 N 0.00 0.42 0.00 4.77 2.10 -1.70 -1.15 116.57 121.01 2nlu h LYS 70 Ca -0.00 -0.03 -0.21 0.00 -2.00 0.00 0.00 60.65 58.41 2nlu h LYS 70 Cb 0.41 -0.09 -0.03 0.00 -0.90 0.00 0.00 32.23 31.62 2nlu h LYS 70 CO 0.03 0.28 -1.11 0.93 -2.00 0.00 0.00 179.45 177.57 2nlu h GLU 71 N 0.43 0.00 0.00 0.07 5.08 -1.19 -2.94 114.58 116.02 2nlu h GLU 71 Ca 0.42 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.76 2nlu h GLU 71 Cb 0.98 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 2nlu h GLU 71 CO -0.15 0.80 -0.09 -0.22 -1.00 0.00 0.00 179.01 178.35 2nlu h LYS 72 N 0.00 0.00 0.00 2.33 3.64 -0.71 -3.41 116.57 118.42 2nlu h LYS 72 Ca -0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2nlu h LYS 72 Cb 1.77 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.59 2nlu h LYS 72 CO 0.11 0.81 -0.77 1.97 -2.27 0.00 0.00 179.45 179.30 2nlu n PHE 73 N -4.63 0.00 0.00 1.91 -1.74 -0.72 -5.10 117.46 107.18 2nlu n PHE 73 Ca -0.10 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.79 2nlu n PHE 73 Cb 0.41 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.41 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 1.98 2.94 2.86 4.97 0.00 -0.89 -4.49 105.19 112.56 2nlu n GLY 74 Ca 0.00 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 2nlu n GLY 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nlu s LYS 75 N 0.00 0.50 0.33 1.61 -2.85 -1.26 -4.78 119.74 113.29 2nlu s LYS 75 Ca 0.00 -0.27 0.19 0.00 -1.00 0.00 0.00 55.97 54.89 2nlu s LYS 75 Cb 0.00 -0.48 0.17 0.00 -2.06 0.00 0.00 37.83 35.46 2nlu s LYS 75 CO 0.00 -1.10 1.45 -1.00 0.10 0.00 0.00 175.35 174.80 2nlu h PRO 76 N 7.75 0.00 -3.23 1.78 0.14 -2.01 -3.47 132.00 132.96 2nlu h PRO 76 Ca -0.04 0.00 -0.32 0.00 0.14 0.00 0.00 66.00 65.78 2nlu h PRO 76 Cb 1.09 0.00 -0.03 0.00 0.14 0.00 0.00 31.00 32.21 2nlu h PRO 76 CO 0.25 0.24 -0.39 0.09 0.14 0.00 0.00 178.00 178.32 2nlu n ASN 77 N -3.11 -4.67 0.22 1.44 4.13 -1.26 -4.83 115.26 107.18 2nlu n ASN 77 Ca 0.02 0.14 0.09 0.00 1.68 0.00 0.00 54.58 56.51 2nlu n ASN 77 Cb 0.64 -3.96 0.51 0.00 -1.54 0.00 0.00 39.78 35.43 2nlu n ASN 77 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 2nlu h LYS 78 N 0.00 0.00 -5.22 3.52 1.57 -1.98 -3.40 116.57 111.05 2nlu h LYS 78 Ca -0.37 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 57.76 2nlu h LYS 78 Cb 1.25 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 33.32 2nlu h LYS 78 CO 0.45 0.24 -0.70 1.03 -0.57 0.00 0.00 179.45 179.90 2nlu s ARG 79 N -3.91 3.53 0.46 3.15 1.81 -1.26 -5.01 118.95 117.71 2nlu s ARG 79 Ca -0.01 -0.59 0.12 0.00 -1.72 0.00 0.00 55.73 53.53 2nlu s ARG 79 Cb 0.12 -2.87 1.03 0.00 -0.45 0.00 0.00 34.95 32.78 2nlu s ARG 79 CO 0.64 0.12 2.06 1.57 -0.68 0.00 0.00 175.30 179.01 2nlu h LYS 80 N 7.08 0.20 -0.88 3.54 2.10 -2.00 -0.66 116.57 125.95 2nlu h LYS 80 Ca -0.32 -0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 58.29 2nlu h LYS 80 Cb 1.19 -0.04 -0.04 0.00 -0.90 0.00 0.00 32.23 32.44 2nlu h LYS 80 CO 0.60 0.19 0.49 0.78 -2.00 0.00 0.00 179.45 179.51 2nlu h GLY 81 N 0.35 1.32 1.56 0.07 0.00 -1.95 -1.24 103.07 103.19 2nlu h GLY 81 Ca 0.05 -0.60 -0.08 0.00 0.00 0.00 0.00 47.33 46.70 2nlu h GLY 81 CO -0.00 0.57 -0.18 -2.75 0.00 0.00 0.00 176.54 174.18 2nlu h PHE 82 N 1.23 0.57 -0.54 5.60 3.57 -1.55 -1.30 116.94 124.53 2nlu h PHE 82 Ca 0.31 -0.10 -0.06 0.00 3.53 0.00 0.00 57.97 61.65 2nlu h PHE 82 Cb 0.02 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 2nlu h PHE 82 CO 0.01 0.67 0.11 1.03 -2.23 0.00 0.00 178.31 177.90 2nlu h SER 83 N 0.47 0.83 -0.40 0.41 0.87 -0.50 0.25 113.55 115.48 2nlu h SER 83 Ca 0.08 -0.24 -0.16 0.00 -1.23 0.00 0.00 61.79 60.24 2nlu h SER 83 Cb 0.58 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 2nlu h SER 83 CO 0.04 0.86 -0.36 -0.08 -0.53 0.00 0.00 176.83 176.76 2nlu h GLU 84 N 0.76 0.95 -0.25 2.24 4.57 -1.08 -1.92 114.58 119.85 2nlu h GLU 84 Ca 0.17 -0.49 -0.06 0.00 -1.18 0.00 0.00 59.36 57.80 2nlu h GLU 84 Cb 0.37 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 2nlu h GLU 84 CO 0.01 1.15 -0.09 0.78 -1.18 0.00 0.00 179.01 179.67 2nlu h GLY 85 N 0.77 0.43 0.99 1.92 0.00 -0.97 0.63 103.07 106.85 2nlu h GLY 85 Ca 0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 2nlu h GLY 85 CO 0.09 0.25 0.32 -2.00 0.00 0.00 0.00 176.54 175.20 2nlu h LEU 86 N 0.38 0.75 -0.31 3.11 6.46 -0.19 -0.08 115.31 125.42 2nlu h LEU 86 Ca 0.08 -0.10 -0.00 0.00 -0.12 0.00 0.00 57.88 57.74 2nlu h LEU 86 Cb 0.40 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.13 2nlu h LEU 86 CO 0.02 0.63 0.19 -0.25 -0.62 0.00 0.00 178.44 178.41 2nlu h TRP 87 N 0.80 0.41 -0.66 1.25 7.01 -0.56 0.89 115.95 125.10 2nlu h TRP 87 Ca 0.21 0.00 0.11 0.00 2.11 0.00 0.00 58.89 61.31 2nlu h TRP 87 Cb 0.06 -0.14 -0.04 0.00 -2.10 0.00 0.00 29.16 26.94 2nlu h TRP 87 CO -0.01 0.30 0.44 0.93 -2.79 0.00 0.00 178.44 177.31 2nlu h GLU 88 N 0.41 0.45 0.00 2.65 4.39 -0.47 -0.55 114.58 121.46 2nlu h GLU 88 Ca 0.11 -0.03 -0.10 0.00 0.34 0.00 0.00 59.36 59.68 2nlu h GLU 88 Cb 0.00 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.53 2nlu h GLU 88 CO -0.02 0.30 -1.12 0.82 -1.16 0.00 0.00 179.01 177.83 2nlu h ILE 89 N 0.47 0.36 -0.74 3.13 1.08 -0.40 -3.29 117.51 118.12 2nlu h ILE 89 Ca 0.31 -1.67 -0.05 0.00 -0.39 0.00 0.00 64.86 63.06 2nlu h ILE 89 Cb 0.58 1.91 -0.03 0.00 -3.07 0.00 0.00 36.82 36.20 2nlu h ILE 89 CO -0.09 0.21 0.28 -0.08 -0.69 0.00 0.00 178.15 177.77 2nlu h GLU 90 N 0.00 1.12 0.00 2.37 4.81 0.24 -0.72 114.58 122.40 2nlu h GLU 90 Ca -0.09 -0.21 -0.07 0.00 -0.13 0.00 0.00 59.36 58.86 2nlu h GLU 90 Cb 1.36 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 2nlu h GLU 90 CO 0.03 0.93 -0.35 -2.95 -0.73 0.00 0.00 179.01 175.94 2nlu h ASN 91 N 1.08 0.00 -5.23 1.04 7.08 -1.64 -3.49 115.58 114.41 2nlu h ASN 91 Ca 0.25 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 53.46 2nlu h ASN 91 Cb 0.24 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.48 2nlu h ASN 91 CO -0.02 0.35 -0.98 -3.20 -2.08 0.00 0.00 177.43 171.50 2nlu n ASN 92 N -3.29 -7.96 -0.01 6.14 5.15 -0.28 -4.95 115.26 110.06 2nlu n ASN 92 Ca 0.01 1.35 -0.12 0.00 -0.60 0.00 0.00 54.58 55.22 2nlu n ASN 92 Cb 0.60 -5.11 -0.07 0.00 -0.53 0.00 0.00 39.78 34.66 2nlu n ASN 92 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 2nlu h PRO 93 N 3.07 0.11 -4.55 1.20 0.11 -1.84 -3.40 132.00 126.70 2nlu h PRO 93 Ca -0.00 -0.03 -0.72 0.00 0.11 0.00 0.00 66.00 65.36 2nlu h PRO 93 Cb 0.10 -0.01 -0.21 0.00 0.11 0.00 0.00 31.00 30.99 2nlu h PRO 93 CO 0.10 0.31 -0.07 0.99 -0.21 0.00 0.00 178.00 179.12 2nlu s THR 94 N -5.24 5.01 -0.19 -1.15 2.01 -1.26 -5.04 115.64 109.78 2nlu s THR 94 Ca -0.14 -0.99 -0.12 0.00 0.31 0.00 0.00 61.69 60.75 2nlu s THR 94 Cb 0.05 -4.33 -0.05 0.00 0.01 0.00 0.00 72.50 68.18 2nlu s THR 94 CO 0.68 -0.87 0.22 0.68 -0.69 0.00 0.00 174.62 174.64 2nlu s VAL 95 N 2.21 5.35 -0.43 3.82 -7.23 -1.26 -5.01 120.40 117.85 2nlu s VAL 95 Ca 0.09 0.37 0.07 0.00 -1.81 0.00 0.00 61.98 60.70 2nlu s VAL 95 Cb -0.24 -3.55 0.24 0.00 0.56 0.00 0.00 36.38 33.38 2nlu s VAL 95 CO 0.07 0.40 0.63 2.29 -0.31 0.00 0.00 175.10 178.18 2nlu n LYS 96 N 3.66 0.69 0.06 4.82 2.85 -1.26 -4.85 118.16 124.13 2nlu n LYS 96 Ca -0.14 -2.71 0.00 0.00 -1.05 0.00 0.00 58.31 54.41 2nlu n LYS 96 Cb 0.52 -1.33 0.00 0.00 -0.65 0.00 0.00 35.03 33.56 2nlu n LYS 96 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2nlu n ALA 97 N 1.65 3.00 -0.12 0.58 0.00 -1.26 -4.96 120.51 119.40 2nlu n ALA 97 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.40 2nlu n ALA 97 Cb 0.56 0.18 -0.07 0.00 0.00 0.00 0.00 19.45 20.12 2nlu n ALA 97 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2nlu n SER 98 N -3.20 1.84 0.00 0.00 7.64 -1.26 -5.00 113.62 113.63 2nlu n SER 98 Ca 0.00 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.20 2nlu n SER 98 Cb 0.11 -0.75 0.00 0.00 -1.01 0.00 0.00 64.21 62.56 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 1.45 1.55 0.00 0.23 0.00 -1.26 -5.27 105.19 101.88 2nlu n GLY 99 Ca -0.40 0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2nlu n GLY 99 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60