#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 0.26 -0.60 7.83 0.02 -2.10 -3.49 113.55 115.46 2nlu h SER 2 Ca 0.00 -0.78 0.00 0.00 -0.84 0.00 0.00 61.79 60.17 2nlu h SER 2 Cb 0.00 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.46 2nlu h SER 2 CO 0.00 1.61 0.00 -2.11 -1.14 0.00 0.00 176.83 175.19 2nlu n ARG 3 N -4.01 0.00 -2.08 3.45 1.85 -1.26 -5.07 116.66 109.53 2nlu n ARG 3 Ca -0.28 0.00 -0.01 0.00 -1.00 0.00 0.00 57.85 56.56 2nlu n ARG 3 Cb 0.85 0.00 -0.00 0.00 -1.05 0.00 0.00 32.46 32.26 2nlu n ARG 3 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2nlu n SER 4 N -0.89 -4.22 -4.41 2.89 7.64 -1.26 -5.05 113.62 108.32 2nlu n SER 4 Ca 0.00 0.70 -0.30 0.00 1.01 0.00 0.00 58.87 60.28 2nlu n SER 4 Cb 0.00 -3.12 0.15 0.00 -1.01 0.00 0.00 64.21 60.23 2nlu n SER 4 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2nlu s ASN 5 N -0.71 3.60 -0.60 6.43 -0.87 -1.26 -4.53 114.94 117.00 2nlu s ASN 5 Ca -0.03 0.46 0.05 0.00 -1.57 0.00 0.00 52.86 51.77 2nlu s ASN 5 Cb 0.00 -0.66 0.18 0.00 -0.02 0.00 0.00 41.25 40.74 2nlu s ASN 5 CO 0.39 -2.45 0.46 0.54 -2.57 0.00 0.00 177.10 173.47 2nlu n ARG 6 N -3.61 1.30 -3.60 -0.60 1.74 -1.26 -4.65 116.66 105.97 2nlu n ARG 6 Ca 0.13 -4.03 -0.40 0.00 -0.77 0.00 0.00 57.85 52.78 2nlu n ARG 6 Cb 0.60 -2.05 -0.08 0.00 -1.02 0.00 0.00 32.46 29.91 2nlu n ARG 6 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2nlu s GLN 7 N -1.02 2.59 -0.30 5.56 -1.52 -1.26 -4.87 119.66 118.85 2nlu s GLN 7 Ca 0.29 -2.09 -0.17 0.00 -1.95 0.00 0.00 55.36 51.44 2nlu s GLN 7 Cb 0.00 -3.89 0.19 0.00 -0.22 0.00 0.00 33.01 29.09 2nlu s GLN 7 CO -0.17 -1.19 1.18 0.21 -0.25 0.00 0.00 175.29 175.07 2nlu s LYS 8 N 0.76 0.14 0.10 2.91 2.20 -1.26 -0.35 119.74 124.24 2nlu s LYS 8 Ca 0.11 0.27 0.00 0.00 -0.36 0.00 0.00 55.97 55.99 2nlu s LYS 8 Cb -0.22 0.08 0.00 0.00 -1.51 0.00 0.00 37.83 36.18 2nlu s LYS 8 CO -0.03 -0.03 0.00 -1.91 -0.36 0.00 0.00 175.35 173.01 2nlu n GLU 9 N 3.76 0.00 -2.27 4.03 4.07 -1.26 -4.80 120.64 124.17 2nlu n GLU 9 Ca -0.14 0.00 -0.34 0.00 -0.06 0.00 0.00 57.16 56.62 2nlu n GLU 9 Cb 0.56 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 31.93 2nlu n GLU 9 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 2nlu s TYR 10 N -1.23 2.85 0.03 4.31 2.02 -1.26 -4.98 117.35 119.11 2nlu s TYR 10 Ca 0.00 1.55 -0.30 0.00 -0.37 0.00 0.00 57.07 57.95 2nlu s TYR 10 Cb 0.00 -3.13 -0.04 0.00 -0.40 0.00 0.00 41.96 38.39 2nlu s TYR 10 CO 0.00 -1.21 0.99 0.15 -1.57 0.00 0.00 175.55 173.91 2nlu s LYS 11 N -3.52 4.59 0.17 -0.62 -0.14 -1.26 -4.90 119.74 114.06 2nlu s LYS 11 Ca 0.68 1.45 -0.33 0.00 -1.36 0.00 0.00 55.97 56.41 2nlu s LYS 11 Cb -0.19 -3.43 -0.15 0.00 -1.68 0.00 0.00 37.83 32.38 2nlu s LYS 11 CO 0.28 0.01 1.23 0.00 -0.76 0.00 0.00 175.35 176.11 2nlu n GLY 13 N 2.15 2.08 3.65 0.00 0.00 -1.24 -5.06 105.19 106.77 2nlu n GLY 13 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2nlu n GLY 13 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2nlu s ASP 14 N -1.72 6.41 -0.34 1.61 2.15 -0.93 -4.89 116.67 118.96 2nlu s ASP 14 Ca 0.00 2.28 0.03 0.00 0.43 0.00 0.00 52.55 55.29 2nlu s ASP 14 Cb 0.00 -2.53 0.10 0.00 -0.30 0.00 0.00 42.92 40.19 2nlu s ASP 14 CO 0.00 -1.14 0.06 -0.22 -0.17 0.00 0.00 175.17 173.70 2nlu s LEU 15 N 4.84 4.38 0.00 -1.34 2.96 -1.26 -1.13 118.68 127.12 2nlu s LEU 15 Ca 0.82 -2.09 0.01 0.00 -0.22 0.00 0.00 54.13 52.65 2nlu s LEU 15 Cb -0.36 -1.51 -0.00 0.00 0.50 0.00 0.00 46.19 44.82 2nlu s LEU 15 CO 0.35 -0.38 0.05 1.33 -1.32 0.00 0.00 176.35 176.37 2nlu n VAL 16 N 4.33 0.00 -3.08 1.68 0.24 -0.91 -4.94 118.33 115.65 2nlu n VAL 16 Ca 0.03 -0.39 -0.40 0.00 -2.04 0.00 0.00 64.34 61.54 2nlu n VAL 16 Cb 0.42 0.20 -0.05 0.00 -1.47 0.00 0.00 33.84 32.93 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 -2.24 3.47 0.05 6.34 0.40 -1.26 0.29 117.98 125.03 2nlu s PHE 17 Ca 0.06 1.10 0.04 0.00 -0.60 0.00 0.00 56.93 57.53 2nlu s PHE 17 Cb 0.00 -2.81 -0.04 0.00 0.51 0.00 0.00 43.02 40.69 2nlu s PHE 17 CO 0.05 -0.05 -0.04 0.00 0.70 0.00 0.00 175.22 175.88 2nlu s ALA 18 N 1.39 3.16 -0.33 5.36 0.00 0.89 -4.86 121.76 127.37 2nlu s ALA 18 Ca 0.33 -1.08 -0.04 0.00 0.00 0.00 0.00 51.96 51.17 2nlu s ALA 18 Cb -0.17 -1.15 0.05 0.00 0.00 0.00 0.00 23.12 21.85 2nlu s ALA 18 CO 0.14 0.66 0.07 0.21 0.00 0.00 0.00 175.76 176.83 2nlu s LYS 19 N -1.91 2.52 0.24 0.00 2.20 -1.26 0.35 119.74 121.87 2nlu s LYS 19 Ca 0.22 -1.25 0.07 0.00 -0.36 0.00 0.00 55.97 54.65 2nlu s LYS 19 Cb -0.11 -3.36 -0.04 0.00 -1.51 0.00 0.00 37.83 32.81 2nlu s LYS 19 CO 0.13 -0.67 0.19 1.41 -0.36 0.00 0.00 175.35 176.06 2nlu s MET 20 N 1.33 2.94 -0.16 4.03 -2.45 -0.82 -5.00 119.30 119.17 2nlu s MET 20 Ca -0.03 -1.01 -0.29 0.00 -1.25 0.00 0.00 55.69 53.11 2nlu s MET 20 Cb -0.20 -2.59 -0.05 0.00 1.25 0.00 0.00 34.83 33.25 2nlu s MET 20 CO 0.01 0.41 1.83 0.15 1.05 0.00 0.00 175.02 178.47 2nlu s LYS 21 N -3.74 3.72 0.00 4.11 -0.14 -1.26 -0.57 119.74 121.87 2nlu s LYS 21 Ca 0.33 1.95 0.00 0.00 -1.36 0.00 0.00 55.97 56.89 2nlu s LYS 21 Cb -0.08 -4.14 0.00 0.00 -1.68 0.00 0.00 37.83 31.93 2nlu s LYS 21 CO 0.25 -1.40 0.00 0.41 -0.76 0.00 0.00 175.35 173.85 2nlu n GLY 22 N 4.87 0.96 2.83 -3.33 0.00 -1.26 -5.04 105.19 104.22 2nlu n GLY 22 Ca 0.21 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 -2.20 2.13 0.08 1.61 2.02 0.27 -5.05 117.35 116.21 2nlu s TYR 23 Ca 0.00 -1.86 -0.27 0.00 -0.37 0.00 0.00 57.07 54.58 2nlu s TYR 23 Cb 0.00 -1.81 -0.11 0.00 -0.40 0.00 0.00 41.96 39.63 2nlu s TYR 23 CO 0.00 -0.84 1.43 -1.35 -1.57 0.00 0.00 175.55 173.22 2nlu h PRO 24 N 8.00 -0.54 -2.13 -1.71 0.11 -1.90 -2.17 132.00 131.64 2nlu h PRO 24 Ca -0.13 0.04 -0.41 0.00 0.11 0.00 0.00 66.00 65.61 2nlu h PRO 24 Cb 1.04 0.12 -0.33 0.00 0.11 0.00 0.00 31.00 31.94 2nlu h PRO 24 CO 0.45 -0.36 -0.71 -1.01 -0.21 0.00 0.00 178.00 176.16 2nlu s HIS 25 N -5.12 -0.12 -0.32 0.65 3.76 -1.26 -4.50 115.29 108.38 2nlu s HIS 25 Ca -0.12 -0.85 -0.09 0.00 -0.15 0.00 0.00 55.06 53.85 2nlu s HIS 25 Cb 0.05 -0.53 0.00 0.00 1.11 0.00 0.00 32.58 33.21 2nlu s HIS 25 CO 0.47 -0.93 0.15 -0.46 -0.85 0.00 0.00 174.74 173.12 2nlu s TRP 26 N 1.57 3.19 -0.16 1.40 -0.00 0.15 -4.84 118.94 120.26 2nlu s TRP 26 Ca 0.15 -0.75 -0.29 0.00 -0.00 0.00 0.00 56.10 55.22 2nlu s TRP 26 Cb -0.16 -2.35 -0.05 0.00 -0.00 0.00 0.00 33.47 30.90 2nlu s TRP 26 CO -0.10 -0.52 1.89 -1.25 -0.00 0.00 0.00 176.95 176.97 2nlu s PRO 27 N 1.58 3.67 0.23 5.86 0.04 -1.26 -0.08 135.00 145.04 2nlu s PRO 27 Ca 0.04 2.01 0.04 0.00 0.04 0.00 0.00 61.00 63.12 2nlu s PRO 27 Cb -0.18 -4.17 -0.05 0.00 0.04 0.00 0.00 34.50 30.14 2nlu s PRO 27 CO 0.06 -1.47 -0.01 0.00 0.04 0.00 0.00 177.00 175.62 2nlu s ALA 28 N 5.99 1.83 -0.06 8.56 0.00 0.14 -4.87 121.76 133.35 2nlu s ALA 28 Ca 0.85 -1.77 -0.14 0.00 0.00 0.00 0.00 51.96 50.90 2nlu s ALA 28 Cb -0.32 0.46 -0.05 0.00 0.00 0.00 0.00 23.12 23.21 2nlu s ALA 28 CO 0.34 -0.24 0.36 0.50 0.00 0.00 0.00 175.76 176.73 2nlu s ARG 29 N -3.85 4.00 0.11 0.00 3.52 -1.26 -2.15 118.95 119.31 2nlu s ARG 29 Ca 0.28 0.29 -0.30 0.00 -0.13 0.00 0.00 55.73 55.87 2nlu s ARG 29 Cb 0.05 -3.29 -0.06 0.00 -1.56 0.00 0.00 34.95 30.09 2nlu s ARG 29 CO 0.09 0.53 1.05 -1.50 -0.81 0.00 0.00 175.30 174.65 2nlu s ILE 30 N -0.50 4.26 0.01 4.11 -1.16 -0.29 -5.02 121.20 122.61 2nlu s ILE 30 Ca 0.22 1.81 0.04 0.00 -0.51 0.00 0.00 60.65 62.21 2nlu s ILE 30 Cb -0.15 -4.16 -0.01 0.00 0.61 0.00 0.00 42.46 38.75 2nlu s ILE 30 CO 0.10 0.25 -0.12 -0.62 -2.81 0.00 0.00 174.94 171.73 2nlu s ASP 31 N 0.27 1.46 0.17 4.50 2.15 -1.26 -3.60 116.67 120.35 2nlu s ASP 31 Ca 0.50 -0.31 0.06 0.00 0.43 0.00 0.00 52.55 53.23 2nlu s ASP 31 Cb -0.26 -0.13 -0.05 0.00 -0.30 0.00 0.00 42.92 42.18 2nlu s ASP 31 CO 0.31 0.10 -0.12 -1.83 -0.17 0.00 0.00 175.17 173.46 2nlu s GLU 32 N -0.61 1.15 0.13 4.34 -1.05 -1.26 -4.83 118.70 116.58 2nlu s GLU 32 Ca 0.03 -1.50 -0.01 0.00 -0.15 0.00 0.00 54.97 53.34 2nlu s GLU 32 Cb -0.06 -0.79 -0.04 0.00 -0.44 0.00 0.00 34.13 32.79 2nlu s GLU 32 CO 0.00 0.11 0.32 -1.64 0.95 0.00 0.00 175.26 175.00 2nlu s MET 33 N -3.71 3.52 0.99 -4.83 -1.94 0.53 -5.02 119.30 108.83 2nlu s MET 33 Ca 0.19 -0.32 -0.11 0.00 -1.71 0.00 0.00 55.69 53.73 2nlu s MET 33 Cb 0.01 -2.92 0.17 0.00 2.01 0.00 0.00 34.83 34.11 2nlu s MET 33 CO 0.03 0.50 1.05 -2.30 -0.01 0.00 0.00 175.02 174.29 2nlu n PRO 34 N -0.13 -0.94 -2.33 2.03 -0.02 -1.26 -4.76 135.00 127.59 2nlu n PRO 34 Ca -0.04 -0.22 -0.42 0.00 -2.02 0.00 0.00 63.50 60.80 2nlu n PRO 34 Cb 0.52 -2.29 -0.01 0.00 -0.02 0.00 0.00 33.50 31.71 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 -4.23 2.97 -0.08 -0.52 1.02 -1.26 -4.46 120.64 114.08 2nlu n GLU 35 Ca 0.09 -3.04 -0.16 0.00 -0.02 0.00 0.00 57.16 54.03 2nlu n GLU 35 Cb 0.53 -3.46 -0.06 0.00 -0.02 0.00 0.00 31.44 28.43 2nlu n GLU 35 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2nlu n ALA 36 N 8.36 1.94 0.00 0.62 0.00 -1.26 -4.88 120.51 125.29 2nlu n ALA 36 Ca 0.49 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2nlu n ALA 36 Cb 0.44 0.27 0.00 0.00 0.00 0.00 0.00 19.45 20.17 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 -3.56 0.95 -1.93 0.00 0.00 -1.26 -4.93 120.51 109.78 2nlu n ALA 37 Ca -0.30 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.73 2nlu n ALA 37 Cb 0.73 0.01 -0.03 0.00 0.00 0.00 0.00 19.45 20.17 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 -0.95 2.89 0.00 0.00 0.11 -1.26 -3.50 120.40 117.68 2nlu s VAL 38 Ca 0.00 0.75 0.00 0.00 -2.93 0.00 0.00 61.98 59.80 2nlu s VAL 38 Cb 0.00 -3.48 0.00 0.00 -1.53 0.00 0.00 36.38 31.37 2nlu s VAL 38 CO 0.00 0.12 0.00 0.29 -3.33 0.00 0.00 175.10 172.18 2nlu n LYS 39 N 2.41 0.00 0.00 1.54 4.76 -1.26 -4.88 118.16 120.73 2nlu n LYS 39 Ca 0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 2nlu n LYS 39 Cb 0.41 -0.15 0.00 0.00 -1.84 0.00 0.00 35.03 33.45 2nlu n LYS 39 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2nlu n SER 40 N 1.21 -1.01 0.33 4.39 2.88 -1.23 -3.06 113.62 117.13 2nlu n SER 40 Ca 0.00 0.00 0.21 0.00 -1.33 0.00 0.00 58.87 57.75 2nlu n SER 40 Cb 0.00 0.00 1.12 0.00 -0.75 0.00 0.00 64.21 64.58 2nlu n SER 40 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2nlu h THR 41 N 0.00 0.08 0.00 2.46 2.02 -1.93 -3.45 112.91 112.09 2nlu h THR 41 Ca 0.00 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.11 2nlu h THR 41 Cb 0.00 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 2nlu h THR 41 CO 0.00 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.89 2nlu n ALA 42 N -2.12 0.00 -2.64 6.16 0.00 -1.17 -4.81 120.51 115.93 2nlu n ALA 42 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.00 2nlu n ALA 42 Cb 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.52 2nlu n ALA 42 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2nlu s ASN 43 N 0.00 6.19 -0.10 0.00 -0.87 -1.26 -4.96 114.94 113.94 2nlu s ASN 43 Ca 0.00 -0.56 -0.09 0.00 -1.57 0.00 0.00 52.86 50.64 2nlu s ASN 43 Cb 0.00 -2.52 0.03 0.00 -0.02 0.00 0.00 41.25 38.74 2nlu s ASN 43 CO 0.00 -1.69 0.25 -0.54 -2.57 0.00 0.00 177.10 172.56 2nlu s LYS 44 N 5.17 0.29 0.13 -0.60 -0.14 -1.26 -4.93 119.74 118.40 2nlu s LYS 44 Ca 0.32 0.37 -0.25 0.00 -1.36 0.00 0.00 55.97 55.05 2nlu s LYS 44 Cb -0.11 0.12 -0.07 0.00 -1.68 0.00 0.00 37.83 36.10 2nlu s LYS 44 CO 0.14 -0.05 0.76 0.71 -0.76 0.00 0.00 175.35 176.16 2nlu s TYR 45 N 0.22 3.87 -0.79 3.18 2.02 0.51 -4.88 117.35 121.48 2nlu s TYR 45 Ca -0.01 1.58 -0.25 0.00 -0.37 0.00 0.00 57.07 58.03 2nlu s TYR 45 Cb -0.02 -2.77 0.05 0.00 -0.40 0.00 0.00 41.96 38.82 2nlu s TYR 45 CO -0.00 0.47 1.24 -1.14 -1.57 0.00 0.00 175.55 174.54 2nlu s GLN 46 N -0.90 3.27 -0.50 -0.62 0.74 -1.26 -1.64 119.66 118.76 2nlu s GLN 46 Ca 0.36 -0.60 -0.20 0.00 0.05 0.00 0.00 55.36 54.97 2nlu s GLN 46 Cb -0.22 -4.45 0.05 0.00 1.10 0.00 0.00 33.01 29.48 2nlu s GLN 46 CO 0.25 -2.08 0.67 0.08 -0.55 0.00 0.00 175.29 173.67 2nlu s VAL 47 N 5.11 4.80 -0.44 1.34 1.01 0.81 -4.92 120.40 128.11 2nlu s VAL 47 Ca 0.34 -0.25 -0.18 0.00 0.00 0.00 0.00 61.98 61.89 2nlu s VAL 47 Cb -0.08 -4.31 0.03 0.00 0.00 0.00 0.00 36.38 32.02 2nlu s VAL 47 CO 0.08 -0.80 0.51 0.12 0.00 0.00 0.00 175.10 175.01 2nlu s PHE 48 N 2.85 3.13 -0.01 5.22 5.36 -1.26 0.19 117.98 133.45 2nlu s PHE 48 Ca 0.19 -0.33 -0.30 0.00 -0.96 0.00 0.00 56.93 55.53 2nlu s PHE 48 Cb -0.17 -3.09 -0.06 0.00 -0.34 0.00 0.00 43.02 39.36 2nlu s PHE 48 CO 0.14 -0.79 1.52 -0.06 -1.46 0.00 0.00 175.22 174.57 2nlu s PHE 49 N 2.36 2.51 -0.09 10.12 0.40 0.26 -4.92 117.98 128.62 2nlu s PHE 49 Ca 0.15 0.55 -0.27 0.00 -0.60 0.00 0.00 56.93 56.75 2nlu s PHE 49 Cb -0.17 -3.79 -0.24 0.00 0.51 0.00 0.00 43.02 39.34 2nlu s PHE 49 CO 0.15 -3.10 0.98 0.74 0.70 0.00 0.00 175.22 174.69 2nlu h PHE 50 N 8.45 0.01 -0.11 0.36 0.04 -1.94 0.47 116.94 124.23 2nlu h PHE 50 Ca -0.38 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.36 2nlu h PHE 50 Cb 1.18 -0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.32 2nlu h PHE 50 CO 0.80 0.79 0.01 0.78 -0.60 0.00 0.00 178.31 180.09 2nlu h GLY 51 N -0.77 0.20 2.00 -1.45 0.00 -1.90 -2.37 103.07 98.78 2nlu h GLY 51 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.18 2nlu h GLY 51 CO 0.00 0.13 0.00 -0.84 0.00 0.00 0.00 176.54 175.84 2nlu h THR 52 N -0.06 0.00 -5.88 4.70 2.02 -1.80 -3.41 112.91 108.48 2nlu h THR 52 Ca 0.03 -0.66 -0.39 0.00 0.77 0.00 0.00 66.41 66.17 2nlu h THR 52 Cb 0.33 1.62 0.11 0.00 -1.74 0.00 0.00 68.15 68.47 2nlu h THR 52 CO 0.00 0.00 -0.76 1.57 0.37 0.00 0.00 175.52 176.71 2nlu n HIS 53 N -2.83 -2.33 -3.77 3.16 -0.00 0.09 -5.00 115.22 104.54 2nlu n HIS 53 Ca 0.03 0.94 -0.10 0.00 0.46 0.00 0.00 57.72 59.05 2nlu n HIS 53 Cb 0.41 -4.79 -0.06 0.00 -0.12 0.00 0.00 29.99 25.42 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 -5.91 0.92 -0.08 1.57 -1.05 -0.81 -4.97 118.70 108.37 2nlu s GLU 54 Ca 0.24 -0.84 -0.16 0.00 -0.15 0.00 0.00 54.97 54.06 2nlu s GLU 54 Cb -0.11 0.39 -0.05 0.00 -0.44 0.00 0.00 34.13 33.92 2nlu s GLU 54 CO 0.76 -0.32 0.43 0.99 0.95 0.00 0.00 175.26 178.07 2nlu s THR 55 N -3.75 5.14 0.37 1.83 2.01 -1.26 -0.58 115.64 119.40 2nlu s THR 55 Ca 0.04 0.85 0.04 0.00 0.31 0.00 0.00 61.69 62.93 2nlu s THR 55 Cb 0.03 -3.75 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 2nlu s THR 55 CO -0.11 0.43 0.13 0.00 -0.69 0.00 0.00 174.62 174.38 2nlu s ALA 56 N -0.01 2.59 -0.10 7.40 0.00 0.13 -4.96 121.76 126.80 2nlu s ALA 56 Ca 0.24 -1.50 -0.01 0.00 0.00 0.00 0.00 51.96 50.69 2nlu s ALA 56 Cb -0.15 0.86 0.03 0.00 0.00 0.00 0.00 23.12 23.85 2nlu s ALA 56 CO 0.10 -0.38 -0.05 -0.06 0.00 0.00 0.00 175.76 175.37 2nlu s PHE 57 N -3.32 1.22 0.32 0.00 0.08 -1.26 -0.13 117.98 114.89 2nlu s PHE 57 Ca 0.29 -0.55 0.03 0.00 0.12 0.00 0.00 56.93 56.82 2nlu s PHE 57 Cb 0.04 -1.09 -0.04 0.00 -0.57 0.00 0.00 43.02 41.36 2nlu s PHE 57 CO 0.16 -0.45 0.14 -0.51 -0.10 0.00 0.00 175.22 174.46 2nlu s LEU 58 N 1.78 1.77 0.51 -0.37 1.43 -0.65 -4.91 118.68 118.24 2nlu s LEU 58 Ca 0.05 -1.55 0.06 0.00 -1.03 0.00 0.00 54.13 51.66 2nlu s LEU 58 Cb -0.12 0.08 0.02 0.00 0.03 0.00 0.00 46.19 46.19 2nlu s LEU 58 CO -0.07 -0.86 0.35 -0.83 0.23 0.00 0.00 176.35 175.17 2nlu s GLY 59 N -3.42 2.36 0.36 -3.19 0.00 -1.26 -0.36 107.32 101.81 2nlu s GLY 59 Ca 0.34 -1.43 0.04 0.00 0.00 0.00 0.00 44.72 43.67 2nlu s GLY 59 CO 0.17 -1.91 1.97 -0.56 0.00 0.00 0.00 173.10 172.77 2nlu h PRO 60 N 0.91 0.67 0.00 2.90 0.13 -1.98 -0.99 132.00 133.64 2nlu h PRO 60 Ca -0.39 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2nlu h PRO 60 Cb 1.29 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2nlu h PRO 60 CO 0.60 0.51 0.00 0.36 -0.23 0.00 0.00 178.00 179.24 2nlu n LYS 61 N -4.39 0.07 -0.17 0.86 2.85 -1.26 -2.14 118.16 113.97 2nlu n LYS 61 Ca 0.04 0.29 0.05 0.00 -1.05 0.00 0.00 58.31 57.64 2nlu n LYS 61 Cb 0.11 -1.62 0.13 0.00 -0.65 0.00 0.00 35.03 33.01 2nlu n LYS 61 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2nlu n ASP 62 N -1.74 2.79 -3.89 -5.58 8.00 -0.40 -4.96 116.55 110.77 2nlu n ASP 62 Ca 0.03 -2.35 -0.21 0.00 0.71 0.00 0.00 54.79 52.97 2nlu n ASP 62 Cb 0.20 -0.26 -0.16 0.00 -0.02 0.00 0.00 41.12 40.88 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 -1.62 1.28 -0.13 0.64 2.96 -0.91 -4.81 118.68 116.09 2nlu s LEU 63 Ca 0.22 -0.15 0.03 0.00 -0.22 0.00 0.00 54.13 54.01 2nlu s LEU 63 Cb 0.15 -0.50 0.01 0.00 0.50 0.00 0.00 46.19 46.35 2nlu s LEU 63 CO 0.08 -0.06 -0.22 -0.36 -1.32 0.00 0.00 176.35 174.47 2nlu s PHE 64 N 1.03 2.60 0.16 5.38 0.08 -1.26 -4.89 117.98 121.08 2nlu s PHE 64 Ca -0.09 -1.24 -0.33 0.00 0.12 0.00 0.00 56.93 55.39 2nlu s PHE 64 Cb -0.14 -1.76 -0.13 0.00 -0.57 0.00 0.00 43.02 40.42 2nlu s PHE 64 CO -0.00 -0.55 1.66 -2.30 -0.10 0.00 0.00 175.22 173.92 2nlu n PRO 65 N 3.91 2.41 0.15 0.24 -0.02 -1.26 -4.87 135.00 135.56 2nlu n PRO 65 Ca -0.20 0.87 0.03 0.00 -2.02 0.00 0.00 63.50 62.18 2nlu n PRO 65 Cb 0.52 -2.68 0.07 0.00 -0.02 0.00 0.00 33.50 31.39 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 6.54 0.00 0.00 6.00 -0.00 -1.99 0.50 116.97 128.03 2nlu h TYR 66 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.28 2nlu h TYR 66 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.96 2nlu h TYR 66 CO 0.65 0.48 0.00 0.39 -0.00 0.00 0.00 178.16 179.69 2nlu n GLU 67 N -3.26 0.11 -0.02 0.10 -0.58 -1.26 0.86 120.64 116.58 2nlu n GLU 67 Ca 0.02 0.18 -0.02 0.00 -0.42 0.00 0.00 57.16 56.92 2nlu n GLU 67 Cb 0.70 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 30.04 2nlu n GLU 67 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2nlu n GLU 68 N -1.40 3.13 0.08 3.49 1.02 -1.05 -4.71 120.64 121.20 2nlu n GLU 68 Ca 0.06 -0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.28 2nlu n GLU 68 Cb 0.16 -1.11 -0.03 0.00 -0.02 0.00 0.00 31.44 30.44 2nlu n GLU 68 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2nlu n SER 69 N -2.19 0.84 -0.30 1.62 7.64 0.14 -4.17 113.62 117.21 2nlu n SER 69 Ca -0.07 0.34 0.12 0.00 1.01 0.00 0.00 58.87 60.27 2nlu n SER 69 Cb 0.64 0.39 0.29 0.00 -1.01 0.00 0.00 64.21 64.52 2nlu n SER 69 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2nlu h LYS 70 N 0.00 0.38 0.00 1.43 3.64 0.24 0.17 116.57 122.44 2nlu h LYS 70 Ca -0.05 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2nlu h LYS 70 Cb 1.17 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 2nlu h LYS 70 CO 0.01 0.25 0.00 1.05 -2.27 0.00 0.00 179.45 178.50 2nlu h GLU 71 N 0.40 0.00 0.00 1.90 4.11 -1.80 0.26 114.58 119.45 2nlu h GLU 71 Ca 0.54 0.00 -0.40 0.00 0.07 0.00 0.00 59.36 59.57 2nlu h GLU 71 Cb 1.00 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.19 2nlu h GLU 71 CO -0.52 0.00 -2.19 1.63 0.07 0.00 0.00 179.01 178.00 2nlu n LYS 72 N -2.83 0.59 0.00 1.06 4.76 0.39 -4.55 118.16 117.58 2nlu n LYS 72 Ca 0.01 0.35 0.12 0.00 -2.87 0.00 0.00 58.31 55.92 2nlu n LYS 72 Cb 0.30 -1.57 0.06 0.00 -1.84 0.00 0.00 35.03 31.98 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 -4.28 0.00 -2.40 2.13 3.72 0.01 -4.79 117.46 111.85 2nlu n PHE 73 Ca -0.48 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 56.55 2nlu n PHE 73 Cb 0.83 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.35 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 -2.18 1.04 -0.20 1.37 0.00 0.93 -4.83 107.32 103.44 2nlu s GLY 74 Ca 0.24 -2.39 -0.05 0.00 0.00 0.00 0.00 44.72 42.52 2nlu s GLY 74 CO 0.40 2.99 0.36 -1.59 0.00 0.00 0.00 173.10 175.26 2nlu s LYS 75 N 5.26 0.29 -0.99 2.90 -2.85 -1.26 -4.91 119.74 118.18 2nlu s LYS 75 Ca 0.57 0.72 -0.23 0.00 -1.00 0.00 0.00 55.97 56.03 2nlu s LYS 75 Cb 0.01 -0.17 0.04 0.00 -2.06 0.00 0.00 37.83 35.64 2nlu s LYS 75 CO 0.03 -0.45 1.47 -1.25 0.10 0.00 0.00 175.35 175.25 2nlu s PRO 76 N 2.53 3.50 0.00 1.78 0.05 -1.26 -4.76 135.00 136.84 2nlu s PRO 76 Ca 0.05 -1.01 0.16 0.00 0.05 0.00 0.00 61.00 60.26 2nlu s PRO 76 Cb -0.14 -5.26 0.69 0.00 0.05 0.00 0.00 34.50 29.85 2nlu s PRO 76 CO -0.13 -2.27 1.48 0.27 0.05 0.00 0.00 177.00 176.40 2nlu n ASN 77 N 9.21 1.04 -1.36 6.66 0.23 -1.26 -4.90 115.26 124.89 2nlu n ASN 77 Ca 0.31 -1.71 -0.14 0.00 -0.53 0.00 0.00 54.58 52.51 2nlu n ASN 77 Cb 0.51 -0.08 -0.03 0.00 -2.08 0.00 0.00 39.78 38.09 2nlu n ASN 77 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 2nlu n LYS 78 N -0.05 -1.06 -2.47 -3.83 5.02 -1.26 -4.96 118.16 109.53 2nlu n LYS 78 Ca 0.13 0.85 -0.43 0.00 -2.02 0.00 0.00 58.31 56.84 2nlu n LYS 78 Cb 0.21 -5.04 -0.02 0.00 -0.02 0.00 0.00 35.03 30.15 2nlu n LYS 78 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2nlu s ARG 79 N -3.95 3.83 0.00 1.97 1.81 -1.26 -4.88 118.95 116.46 2nlu s ARG 79 Ca 0.00 1.02 0.00 0.00 -1.72 0.00 0.00 55.73 55.03 2nlu s ARG 79 Cb 0.00 -3.90 0.00 0.00 -0.45 0.00 0.00 34.95 30.60 2nlu s ARG 79 CO 0.00 -1.24 0.42 1.63 -0.68 0.00 0.00 175.30 175.43 2nlu n LYS 80 N 7.52 0.00 0.06 3.54 5.02 -1.26 0.12 118.16 133.16 2nlu n LYS 80 Ca 0.14 0.42 -0.02 0.00 -2.02 0.00 0.00 58.31 56.83 2nlu n LYS 80 Cb 0.47 -0.63 0.24 0.00 -0.02 0.00 0.00 35.03 35.09 2nlu n LYS 80 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2nlu h GLY 81 N 0.00 0.38 0.90 0.72 0.00 -1.93 -1.44 103.07 101.71 2nlu h GLY 81 Ca 0.00 -0.31 -0.11 0.00 0.00 0.00 0.00 47.33 46.91 2nlu h GLY 81 CO 0.00 0.29 -0.27 -2.75 0.00 0.00 0.00 176.54 173.81 2nlu h PHE 82 N 0.31 0.72 -0.10 5.60 3.57 -0.82 -1.06 116.94 125.16 2nlu h PHE 82 Ca 0.04 -0.22 -0.08 0.00 3.53 0.00 0.00 57.97 61.24 2nlu h PHE 82 Cb 0.67 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.26 2nlu h PHE 82 CO 0.02 0.94 -0.24 0.66 -2.23 0.00 0.00 178.31 177.45 2nlu h SER 83 N 0.29 0.39 0.15 0.41 4.64 -0.17 -1.56 113.55 117.70 2nlu h SER 83 Ca 0.03 -0.58 -0.10 0.00 -0.47 0.00 0.00 61.79 60.67 2nlu h SER 83 Cb 0.83 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.80 2nlu h SER 83 CO 0.06 0.90 -0.36 1.05 -0.87 0.00 0.00 176.83 177.62 2nlu h GLU 84 N -0.10 0.30 -0.11 4.77 4.11 -1.36 -2.12 114.58 120.08 2nlu h GLU 84 Ca -0.00 -0.13 -0.02 0.00 0.07 0.00 0.00 59.36 59.28 2nlu h GLU 84 Cb 0.85 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 2nlu h GLU 84 CO 0.05 0.62 -0.00 0.78 0.07 0.00 0.00 179.01 180.53 2nlu h GLY 85 N 1.13 0.21 1.03 1.06 0.00 -1.12 0.60 103.07 105.97 2nlu h GLY 85 Ca 0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 2nlu h GLY 85 CO 0.06 0.14 0.45 1.41 0.00 0.00 0.00 176.54 178.60 2nlu h LEU 86 N -0.09 1.13 -0.56 3.11 3.38 -1.21 -2.14 115.31 118.93 2nlu h LEU 86 Ca 0.03 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.78 2nlu h LEU 86 Cb 0.36 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2nlu h LEU 86 CO 0.01 0.92 -0.04 -0.25 0.09 0.00 0.00 178.44 179.17 2nlu h TRP 87 N 1.24 1.12 -0.32 1.13 2.91 -1.29 -2.33 115.95 118.41 2nlu h TRP 87 Ca 0.31 -0.21 -0.00 0.00 1.13 0.00 0.00 58.89 60.11 2nlu h TRP 87 Cb 0.07 -0.29 -0.02 0.00 -0.51 0.00 0.00 29.16 28.42 2nlu h TRP 87 CO 0.01 1.01 0.19 1.49 -1.03 0.00 0.00 178.44 180.12 2nlu h GLU 88 N 0.90 0.44 -0.08 2.65 4.57 -0.26 0.44 114.58 123.24 2nlu h GLU 88 Ca 0.15 -0.04 -0.17 0.00 -1.18 0.00 0.00 59.36 58.12 2nlu h GLU 88 Cb 0.60 -0.09 0.01 0.00 -0.16 0.00 0.00 28.75 29.10 2nlu h GLU 88 CO 0.04 0.34 -0.60 0.97 -1.18 0.00 0.00 179.01 178.57 2nlu h ILE 89 N 0.41 1.36 0.03 2.32 -0.00 -1.42 -2.93 117.51 117.28 2nlu h ILE 89 Ca 0.12 -1.93 -0.18 0.00 -0.00 0.00 0.00 64.86 62.86 2nlu h ILE 89 Cb 0.02 2.26 0.02 0.00 -0.00 0.00 0.00 36.82 39.11 2nlu h ILE 89 CO -0.02 0.58 -0.74 -0.08 -0.00 0.00 0.00 178.15 177.89 2nlu h GLU 90 N 0.16 0.45 -0.60 2.19 4.57 -1.34 -3.30 114.58 116.70 2nlu h GLU 90 Ca -0.05 -0.52 -0.21 0.00 -1.18 0.00 0.00 59.36 57.40 2nlu h GLU 90 Cb 1.26 0.16 -0.12 0.00 -0.16 0.00 0.00 28.75 29.88 2nlu h GLU 90 CO 0.12 1.17 0.20 0.09 -1.18 0.00 0.00 179.01 179.41 2nlu n ASN 91 N -4.13 4.03 -4.64 1.04 3.02 0.14 -4.96 115.26 109.76 2nlu n ASN 91 Ca -0.11 -3.35 -0.43 0.00 -0.03 0.00 0.00 54.58 50.66 2nlu n ASN 91 Cb 0.75 -0.70 -0.03 0.00 -0.61 0.00 0.00 39.78 39.19 2nlu n ASN 91 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2nlu s ASN 92 N -1.56 6.21 0.20 6.41 2.47 -1.11 -4.87 114.94 122.68 2nlu s ASN 92 Ca 0.51 2.09 0.23 0.00 0.42 0.00 0.00 52.86 56.11 2nlu s ASN 92 Cb 0.42 -2.53 0.15 0.00 -1.45 0.00 0.00 41.25 37.84 2nlu s ASN 92 CO 0.09 -1.33 1.19 1.55 -3.72 0.00 0.00 177.10 174.89 2nlu h PRO 93 N 11.61 0.00 -1.71 0.43 0.13 -1.93 -3.44 132.00 137.09 2nlu h PRO 93 Ca -0.41 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.50 2nlu h PRO 93 Cb 1.20 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.05 2nlu h PRO 93 CO 0.97 0.00 -0.56 -0.08 -0.23 0.00 0.00 178.00 178.10 2nlu s THR 94 N -3.28 -0.60 -0.21 1.56 -1.32 -1.26 -5.12 115.64 105.40 2nlu s THR 94 Ca 0.02 -0.40 -0.17 0.00 -1.21 0.00 0.00 61.69 59.93 2nlu s THR 94 Cb 0.10 -0.87 -0.03 0.00 -1.51 0.00 0.00 72.50 70.19 2nlu s THR 94 CO 0.76 -0.32 0.46 0.54 -2.21 0.00 0.00 174.62 173.85 2nlu s VAL 95 N 2.30 5.14 -1.21 5.08 0.11 -1.26 -5.01 120.40 125.56 2nlu s VAL 95 Ca 0.11 0.83 -0.15 0.00 -2.93 0.00 0.00 61.98 59.84 2nlu s VAL 95 Cb -0.12 -3.79 0.15 0.00 -1.53 0.00 0.00 36.38 31.08 2nlu s VAL 95 CO -0.24 0.19 1.48 -0.75 -3.33 0.00 0.00 175.10 172.45 2nlu s LYS 96 N 1.63 4.03 -0.30 1.54 2.47 -1.26 -4.83 119.74 123.02 2nlu s LYS 96 Ca 0.21 -2.38 -0.09 0.00 -1.56 0.00 0.00 55.97 52.15 2nlu s LYS 96 Cb -0.15 -5.16 0.16 0.00 -1.46 0.00 0.00 37.83 31.22 2nlu s LYS 96 CO 0.09 -1.88 0.79 0.00 0.16 0.00 0.00 175.35 174.51 2nlu s ALA 97 N 2.26 -2.52 -0.91 3.13 0.00 -1.26 -5.05 121.76 117.42 2nlu s ALA 97 Ca 0.44 1.97 -0.08 0.00 0.00 0.00 0.00 51.96 54.29 2nlu s ALA 97 Cb -0.01 -2.09 -0.15 0.00 0.00 0.00 0.00 23.12 20.87 2nlu s ALA 97 CO 0.01 -1.14 3.21 -1.13 0.00 0.00 0.00 175.76 176.70 2nlu n SER 98 N 5.33 7.22 -2.44 0.00 3.41 -1.26 -4.91 113.62 120.96 2nlu n SER 98 Ca -0.07 -2.58 0.00 0.00 -0.26 0.00 0.00 58.87 55.96 2nlu n SER 98 Cb 0.51 -1.48 0.00 0.00 -0.26 0.00 0.00 64.21 62.98 2nlu n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2nlu n GLY 99 N 2.95 -1.72 0.27 5.00 0.00 -1.26 -5.33 105.19 105.11 2nlu n GLY 99 Ca 0.62 -1.55 0.15 0.00 0.00 0.00 0.00 46.02 45.24 2nlu n GLY 99 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60