#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 1.34 -1.34 7.83 0.01 -1.26 -5.05 113.70 115.23 2nlu s SER 2 Ca 0.00 -0.11 -0.15 0.00 1.31 0.00 0.00 55.95 57.00 2nlu s SER 2 Cb 0.00 -0.46 0.09 0.00 0.21 0.00 0.00 66.02 65.85 2nlu s SER 2 CO 0.00 -0.13 1.90 0.54 0.41 0.00 0.00 173.24 175.96 2nlu n ARG 3 N 4.68 3.16 -2.27 12.44 5.12 -1.26 -4.98 116.66 133.56 2nlu n ARG 3 Ca -0.15 -3.15 -0.40 0.00 -1.93 0.00 0.00 57.85 52.23 2nlu n ARG 3 Cb 0.50 -3.28 -0.03 0.00 -1.16 0.00 0.00 32.46 28.50 2nlu n ARG 3 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2nlu s SER 4 N 3.16 6.81 -0.89 0.55 1.04 -1.26 -4.95 113.70 118.16 2nlu s SER 4 Ca 0.48 2.47 -0.19 0.00 0.48 0.00 0.00 55.95 59.18 2nlu s SER 4 Cb 0.08 -2.63 0.12 0.00 0.10 0.00 0.00 66.02 63.69 2nlu s SER 4 CO -0.00 -0.48 1.11 0.21 0.98 0.00 0.00 173.24 175.05 2nlu s ASN 5 N -0.81 6.56 0.00 7.02 3.84 -1.26 -4.60 114.94 125.69 2nlu s ASN 5 Ca 0.51 -1.90 0.04 0.00 0.21 0.00 0.00 52.86 51.72 2nlu s ASN 5 Cb -0.35 -2.40 0.03 0.00 -0.55 0.00 0.00 41.25 37.98 2nlu s ASN 5 CO 0.45 -1.12 0.63 -2.11 -2.79 0.00 0.00 177.10 172.16 2nlu n ARG 6 N 6.73 -0.43 -3.84 0.43 1.85 -1.26 -4.96 116.66 115.18 2nlu n ARG 6 Ca 0.20 -0.74 -0.36 0.00 -1.00 0.00 0.00 57.85 55.96 2nlu n ARG 6 Cb 0.49 -1.07 -0.13 0.00 -1.05 0.00 0.00 32.46 30.69 2nlu n ARG 6 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 2nlu s GLN 7 N -0.32 3.44 0.82 2.89 -1.52 -1.26 -5.10 119.66 118.61 2nlu s GLN 7 Ca 0.04 -0.60 -0.09 0.00 -1.95 0.00 0.00 55.36 52.77 2nlu s GLN 7 Cb 0.03 -3.16 0.14 0.00 -0.22 0.00 0.00 33.01 29.80 2nlu s GLN 7 CO 0.05 -0.22 1.14 0.15 -0.25 0.00 0.00 175.29 176.15 2nlu s LYS 8 N 1.53 1.38 0.00 2.91 1.02 -1.26 -4.42 119.74 120.90 2nlu s LYS 8 Ca 0.06 -0.60 0.00 0.00 0.02 0.00 0.00 55.97 55.45 2nlu s LYS 8 Cb -0.15 -2.09 0.00 0.00 -0.52 0.00 0.00 37.83 35.07 2nlu s LYS 8 CO -0.00 -1.80 0.00 0.39 -0.92 0.00 0.00 175.35 173.02 2nlu n GLU 9 N -3.25 0.00 -4.72 1.68 -0.58 -1.26 -4.79 120.64 107.72 2nlu n GLU 9 Ca 0.13 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.58 2nlu n GLU 9 Cb 0.60 0.00 -0.14 0.00 -0.57 0.00 0.00 31.44 31.33 2nlu n GLU 9 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 2nlu s TYR 10 N 0.00 2.23 -0.26 -0.32 2.02 -1.26 -5.10 117.35 114.66 2nlu s TYR 10 Ca 0.00 -0.40 -0.27 0.00 -0.37 0.00 0.00 57.07 56.03 2nlu s TYR 10 Cb 0.00 -1.30 0.01 0.00 -0.40 0.00 0.00 41.96 40.27 2nlu s TYR 10 CO 0.00 0.17 0.96 0.21 -1.57 0.00 0.00 175.55 175.33 2nlu s LYS 11 N -1.45 4.18 -0.04 -0.62 2.47 -1.26 -4.80 119.74 118.21 2nlu s LYS 11 Ca 0.11 1.12 -0.29 0.00 -1.56 0.00 0.00 55.97 55.35 2nlu s LYS 11 Cb -0.10 -3.67 -0.08 0.00 -1.46 0.00 0.00 37.83 32.53 2nlu s LYS 11 CO 0.03 -0.65 2.05 0.00 0.16 0.00 0.00 175.35 176.94 2nlu n GLY 13 N 4.94 0.82 0.00 0.00 0.00 -1.25 -4.96 105.19 104.73 2nlu n GLY 13 Ca 0.23 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.45 1.34 -4.51 1.61 -0.08 -0.62 -4.89 116.55 109.85 2nlu n ASP 14 Ca 0.00 -0.43 -0.32 0.00 -1.51 0.00 0.00 54.79 52.53 2nlu n ASP 14 Cb 0.00 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.34 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 2.87 0.16 -2.67 1.98 -1.26 -1.48 118.68 118.28 2nlu s LEU 15 Ca 0.00 -0.20 -0.06 0.00 -2.89 0.00 0.00 54.13 50.98 2nlu s LEU 15 Cb 0.00 -1.63 -0.02 0.00 0.66 0.00 0.00 46.19 45.20 2nlu s LEU 15 CO 0.00 0.32 0.21 0.68 -1.89 0.00 0.00 176.35 175.67 2nlu s VAL 16 N -0.84 0.07 -0.35 1.68 -7.23 -0.73 -4.95 120.40 108.05 2nlu s VAL 16 Ca 0.13 -1.59 -0.15 0.00 -1.81 0.00 0.00 61.98 58.57 2nlu s VAL 16 Cb -0.11 -1.96 -0.01 0.00 0.56 0.00 0.00 36.38 34.86 2nlu s VAL 16 CO 0.03 -0.31 0.34 -0.36 -0.31 0.00 0.00 175.10 174.49 2nlu s PHE 17 N -4.01 3.21 -0.13 2.82 0.40 -1.26 -0.52 117.98 118.50 2nlu s PHE 17 Ca 0.21 -0.09 -0.09 0.00 -0.60 0.00 0.00 56.93 56.36 2nlu s PHE 17 Cb 0.05 -2.64 -0.04 0.00 0.51 0.00 0.00 43.02 40.89 2nlu s PHE 17 CO 0.02 -0.43 0.18 0.00 0.70 0.00 0.00 175.22 175.69 2nlu s ALA 18 N 1.96 3.79 -0.46 5.36 0.00 0.08 -4.72 121.76 127.76 2nlu s ALA 18 Ca 0.10 -0.59 -0.11 0.00 0.00 0.00 0.00 51.96 51.36 2nlu s ALA 18 Cb -0.17 -2.10 0.10 0.00 0.00 0.00 0.00 23.12 20.95 2nlu s ALA 18 CO 0.11 0.45 0.35 0.21 0.00 0.00 0.00 175.76 176.88 2nlu s LYS 19 N -0.58 2.70 0.48 0.00 2.20 -1.26 0.03 119.74 123.31 2nlu s LYS 19 Ca 0.14 -1.57 0.06 0.00 -0.36 0.00 0.00 55.97 54.24 2nlu s LYS 19 Cb -0.12 -3.97 -0.01 0.00 -1.51 0.00 0.00 37.83 32.21 2nlu s LYS 19 CO 0.04 -1.10 0.26 -1.64 -0.36 0.00 0.00 175.35 172.55 2nlu s MET 20 N 1.48 2.26 -0.12 4.03 -1.94 -0.73 -4.93 119.30 119.35 2nlu s MET 20 Ca 0.04 -1.96 -0.29 0.00 -1.71 0.00 0.00 55.69 51.77 2nlu s MET 20 Cb -0.25 -2.00 -0.05 0.00 2.01 0.00 0.00 34.83 34.53 2nlu s MET 20 CO 0.02 -0.35 1.79 0.15 -0.01 0.00 0.00 175.02 176.62 2nlu s LYS 21 N -4.07 3.88 0.00 2.03 -0.14 -1.26 -1.10 119.74 119.09 2nlu s LYS 21 Ca 0.34 2.07 0.00 0.00 -1.36 0.00 0.00 55.97 57.02 2nlu s LYS 21 Cb 0.01 -4.10 0.00 0.00 -1.68 0.00 0.00 37.83 32.06 2nlu s LYS 21 CO 0.20 -1.21 0.00 0.41 -0.76 0.00 0.00 175.35 173.98 2nlu n GLY 22 N 4.65 0.75 2.63 -3.33 0.00 -1.26 -5.00 105.19 103.62 2nlu n GLY 22 Ca 0.20 0.00 -0.29 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 -2.78 1.45 -1.16 1.61 2.02 -0.26 -5.04 117.35 113.20 2nlu s TYR 23 Ca 0.00 -1.98 -0.16 0.00 -0.37 0.00 0.00 57.07 54.56 2nlu s TYR 23 Cb 0.00 -1.50 -0.06 0.00 -0.40 0.00 0.00 41.96 40.00 2nlu s TYR 23 CO 0.00 -0.82 2.17 -0.35 -1.57 0.00 0.00 175.55 174.99 2nlu n PRO 24 N 4.00 2.34 -1.99 -1.71 -0.04 -1.26 -1.78 135.00 134.56 2nlu n PRO 24 Ca 0.07 -2.15 -0.01 0.00 -0.04 0.00 0.00 63.50 61.37 2nlu n PRO 24 Cb 0.37 -3.01 0.00 0.00 -0.04 0.00 0.00 33.50 30.82 2nlu n PRO 24 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2nlu n HIS 25 N 6.18 -1.45 -4.69 0.54 8.25 -1.16 -5.00 115.22 117.89 2nlu n HIS 25 Ca 0.53 0.62 -0.33 0.00 -0.26 0.00 0.00 57.72 58.27 2nlu n HIS 25 Cb 0.35 -2.48 -0.13 0.00 1.12 0.00 0.00 29.99 28.86 2nlu n HIS 25 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 2nlu s TRP 26 N -1.07 2.87 -0.21 4.41 -0.11 0.10 -4.74 118.94 120.19 2nlu s TRP 26 Ca 0.04 -0.23 -0.31 0.00 1.22 0.00 0.00 56.10 56.83 2nlu s TRP 26 Cb -0.01 -1.76 -0.08 0.00 -1.50 0.00 0.00 33.47 30.12 2nlu s TRP 26 CO 0.30 0.11 2.16 -0.35 -4.62 0.00 0.00 176.95 174.55 2nlu n PRO 27 N 2.76 1.86 -4.00 5.86 -0.04 -1.26 -0.74 135.00 139.44 2nlu n PRO 27 Ca -0.18 0.55 -0.11 0.00 -0.04 0.00 0.00 63.50 63.72 2nlu n PRO 27 Cb 0.53 -2.97 -0.12 0.00 -0.04 0.00 0.00 33.50 30.90 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 7.27 0.25 0.61 0.55 0.00 0.33 -4.92 121.76 125.85 2nlu s ALA 28 Ca 1.01 -0.51 -0.13 0.00 0.00 0.00 0.00 51.96 52.32 2nlu s ALA 28 Cb -0.51 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 2nlu s ALA 28 CO 0.41 -0.08 1.03 0.50 0.00 0.00 0.00 175.76 177.63 2nlu s ARG 29 N -1.16 3.43 -0.12 0.00 3.52 -1.26 -1.78 118.95 121.58 2nlu s ARG 29 Ca -0.10 0.97 -0.04 0.00 -0.13 0.00 0.00 55.73 56.42 2nlu s ARG 29 Cb -0.08 -2.06 -0.04 0.00 -1.56 0.00 0.00 34.95 31.22 2nlu s ARG 29 CO -0.00 -0.71 0.04 -1.50 -0.81 0.00 0.00 175.30 172.32 2nlu s ILE 30 N -2.84 4.67 0.00 4.11 -1.16 -0.55 -4.85 121.20 120.58 2nlu s ILE 30 Ca 0.59 -0.10 0.00 0.00 -0.51 0.00 0.00 60.65 60.63 2nlu s ILE 30 Cb -0.13 -3.02 0.00 0.00 0.61 0.00 0.00 42.46 39.93 2nlu s ILE 30 CO 0.45 0.57 0.00 -0.67 -2.81 0.00 0.00 174.94 172.48 2nlu n ASP 31 N 2.47 0.00 0.00 4.50 2.03 -1.26 -3.95 116.55 120.34 2nlu n ASP 31 Ca -0.18 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.13 2nlu n ASP 31 Cb 0.54 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.94 2nlu n ASP 31 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2nlu n GLU 32 N 0.00 0.00 -3.87 -0.67 -0.58 -1.26 -4.70 120.64 109.56 2nlu n GLU 32 Ca 0.00 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.62 2nlu n GLU 32 Cb 0.00 0.00 -0.12 0.00 -0.57 0.00 0.00 31.44 30.75 2nlu n GLU 32 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 2nlu s MET 33 N 0.00 0.17 0.12 3.49 -1.94 -1.26 -5.07 119.30 114.81 2nlu s MET 33 Ca 0.00 -0.06 -0.06 0.00 -1.71 0.00 0.00 55.69 53.86 2nlu s MET 33 Cb 0.00 0.07 -0.05 0.00 2.01 0.00 0.00 34.83 36.86 2nlu s MET 33 CO 0.00 -0.03 0.36 -1.25 -0.01 0.00 0.00 175.02 174.09 2nlu s PRO 34 N -0.36 3.63 -1.27 2.03 0.04 -1.26 -5.02 135.00 132.79 2nlu s PRO 34 Ca -0.04 -0.06 -0.06 0.00 0.04 0.00 0.00 61.00 60.88 2nlu s PRO 34 Cb -0.03 -2.90 0.16 0.00 0.04 0.00 0.00 34.50 31.78 2nlu s PRO 34 CO 0.00 0.50 2.17 -1.91 0.04 0.00 0.00 177.00 177.80 2nlu n GLU 35 N 0.32 4.49 -2.69 4.56 4.07 -0.43 -4.64 120.64 126.31 2nlu n GLU 35 Ca -0.04 -3.67 -0.07 0.00 -0.06 0.00 0.00 57.16 53.32 2nlu n GLU 35 Cb 0.52 -2.67 0.01 0.00 -0.06 0.00 0.00 31.44 29.24 2nlu n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2nlu n ALA 36 N 1.94 -3.04 -0.25 4.31 0.00 -1.26 -4.14 120.51 118.07 2nlu n ALA 36 Ca 0.54 1.02 0.00 0.00 0.00 0.00 0.00 53.44 55.00 2nlu n ALA 36 Cb 0.28 -3.26 0.00 0.00 0.00 0.00 0.00 19.45 16.47 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 -0.27 0.00 -1.82 0.00 0.00 -1.26 -4.79 120.51 112.37 2nlu n ALA 37 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.24 2nlu n ALA 37 Cb 0.39 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.88 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 0.00 3.78 -0.15 0.00 0.11 -1.26 -4.89 120.40 117.99 2nlu s VAL 38 Ca 0.00 0.58 0.17 0.00 -2.93 0.00 0.00 61.98 59.80 2nlu s VAL 38 Cb 0.00 -3.52 0.35 0.00 -1.53 0.00 0.00 36.38 31.67 2nlu s VAL 38 CO 0.00 -0.76 1.20 0.29 -3.33 0.00 0.00 175.10 172.51 2nlu n LYS 39 N -3.00 1.54 -3.19 1.54 4.01 -1.26 -1.32 118.16 116.48 2nlu n LYS 39 Ca 0.07 -2.74 0.01 0.00 -0.51 0.00 0.00 58.31 55.13 2nlu n LYS 39 Cb 0.56 -1.57 -0.02 0.00 -0.51 0.00 0.00 35.03 33.49 2nlu n LYS 39 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 2nlu s SER 40 N -2.81 -1.05 -1.12 4.39 0.01 -1.26 -4.87 113.70 106.99 2nlu s SER 40 Ca 0.35 0.28 -0.03 0.00 1.31 0.00 0.00 55.95 57.86 2nlu s SER 40 Cb 0.30 1.83 0.24 0.00 0.21 0.00 0.00 66.02 68.60 2nlu s SER 40 CO 0.02 -0.30 2.08 0.41 0.41 0.00 0.00 173.24 175.87 2nlu n THR 41 N 5.41 5.61 -2.83 1.44 -1.04 -1.26 -4.97 114.28 116.62 2nlu n THR 41 Ca 0.02 -5.19 -0.43 0.00 -2.04 0.00 0.00 64.05 56.42 2nlu n THR 41 Cb 0.52 -1.74 -0.04 0.00 -1.82 0.00 0.00 70.33 67.25 2nlu n THR 41 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2nlu s ALA 42 N -3.01 3.34 -0.15 2.41 0.00 -1.26 -4.85 121.76 118.25 2nlu s ALA 42 Ca 0.46 -0.61 0.14 0.00 0.00 0.00 0.00 51.96 51.95 2nlu s ALA 42 Cb 0.20 -3.55 0.36 0.00 0.00 0.00 0.00 23.12 20.13 2nlu s ALA 42 CO -0.13 -1.77 1.18 0.27 0.00 0.00 0.00 175.76 175.31 2nlu n ASN 43 N 6.88 1.68 -4.50 0.00 0.23 -1.26 -5.04 115.26 113.25 2nlu n ASN 43 Ca 0.06 -3.30 -0.34 0.00 -0.53 0.00 0.00 54.58 50.47 2nlu n ASN 43 Cb 0.48 -0.45 -0.12 0.00 -2.08 0.00 0.00 39.78 37.61 2nlu n ASN 43 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2nlu s LYS 44 N -2.50 3.38 0.27 -3.83 -0.14 -1.26 -4.42 119.74 111.23 2nlu s LYS 44 Ca 0.33 -0.56 0.08 0.00 -1.36 0.00 0.00 55.97 54.46 2nlu s LYS 44 Cb 0.32 -2.77 -0.04 0.00 -1.68 0.00 0.00 37.83 33.66 2nlu s LYS 44 CO -0.05 0.35 0.11 0.71 -0.76 0.00 0.00 175.35 175.71 2nlu s TYR 45 N 0.05 2.90 -0.50 3.18 2.02 0.11 -4.95 117.35 120.15 2nlu s TYR 45 Ca -0.01 -0.19 -0.23 0.00 -0.37 0.00 0.00 57.07 56.27 2nlu s TYR 45 Cb -0.14 -1.35 0.04 0.00 -0.40 0.00 0.00 41.96 40.11 2nlu s TYR 45 CO 0.03 0.54 0.82 -1.14 -1.57 0.00 0.00 175.55 174.22 2nlu s GLN 46 N -3.78 3.33 -0.31 -0.62 0.74 -1.26 -1.91 119.66 115.85 2nlu s GLN 46 Ca 0.33 -0.28 -0.09 0.00 0.05 0.00 0.00 55.36 55.36 2nlu s GLN 46 Cb -0.07 -4.00 -0.00 0.00 1.10 0.00 0.00 33.01 30.03 2nlu s GLN 46 CO 0.23 -1.27 0.14 0.08 -0.55 0.00 0.00 175.29 173.92 2nlu s VAL 47 N 3.43 4.49 -0.67 1.34 1.01 0.11 -4.97 120.40 125.14 2nlu s VAL 47 Ca 0.28 -0.46 -0.22 0.00 0.00 0.00 0.00 61.98 61.58 2nlu s VAL 47 Cb -0.13 -3.29 0.08 0.00 0.00 0.00 0.00 36.38 33.04 2nlu s VAL 47 CO 0.20 0.07 0.94 -0.36 0.00 0.00 0.00 175.10 175.95 2nlu s PHE 48 N 1.59 2.76 -0.27 5.22 0.40 -1.26 -1.03 117.98 125.39 2nlu s PHE 48 Ca 0.04 -0.68 -0.37 0.00 -0.60 0.00 0.00 56.93 55.32 2nlu s PHE 48 Cb -0.17 -4.25 -0.13 0.00 0.51 0.00 0.00 43.02 38.98 2nlu s PHE 48 CO 0.06 -1.58 1.96 1.19 0.70 0.00 0.00 175.22 177.55 2nlu n PHE 49 N 7.40 1.93 0.05 0.36 3.01 0.11 -4.83 117.46 125.49 2nlu n PHE 49 Ca -0.03 0.31 -0.16 0.00 1.01 0.00 0.00 57.45 58.59 2nlu n PHE 49 Cb 0.45 -2.53 -0.14 0.00 -0.01 0.00 0.00 39.48 37.25 2nlu n PHE 49 CO 0.00 0.00 0.00 0.35 1.01 0.00 0.00 176.76 178.12 2nlu h PHE 50 N 9.79 0.40 0.03 1.38 3.57 -1.94 0.69 116.94 130.86 2nlu h PHE 50 Ca -0.39 -0.29 -0.00 0.00 3.53 0.00 0.00 57.97 60.82 2nlu h PHE 50 Cb 1.31 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.03 2nlu h PHE 50 CO 0.88 1.36 -0.02 0.78 -2.23 0.00 0.00 178.31 179.07 2nlu h GLY 51 N 1.86 -0.05 1.75 2.40 0.00 -1.84 -3.24 103.07 103.95 2nlu h GLY 51 Ca -0.25 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.10 2nlu h GLY 51 CO 0.15 -0.02 -0.14 2.41 0.00 0.00 0.00 176.54 178.94 2nlu n THR 52 N -4.84 0.16 -3.42 4.70 -1.04 -1.26 -4.26 114.28 104.32 2nlu n THR 52 Ca -0.09 -0.09 -0.23 0.00 -2.04 0.00 0.00 64.05 61.61 2nlu n THR 52 Cb 0.28 -0.36 0.07 0.00 -1.82 0.00 0.00 70.33 68.50 2nlu n THR 52 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2nlu n HIS 53 N -1.72 -2.57 -4.57 -1.42 -0.00 0.16 -5.00 115.22 100.10 2nlu n HIS 53 Ca 0.06 0.86 -0.28 0.00 -0.00 0.00 0.00 57.72 58.37 2nlu n HIS 53 Cb 0.37 -4.76 -0.08 0.00 -0.00 0.00 0.00 29.99 25.53 2nlu n HIS 53 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.34 174.51 2nlu s GLU 54 N -6.12 2.04 -0.07 -0.41 -1.05 -0.71 -4.96 118.70 107.42 2nlu s GLU 54 Ca 0.50 -2.27 0.05 0.00 -0.15 0.00 0.00 54.97 53.10 2nlu s GLU 54 Cb -0.22 -0.71 -0.00 0.00 -0.44 0.00 0.00 34.13 32.76 2nlu s GLU 54 CO 0.62 -0.52 -0.22 0.99 0.95 0.00 0.00 175.26 177.08 2nlu s THR 55 N -3.12 1.84 0.36 1.83 2.01 -1.26 0.08 115.64 117.37 2nlu s THR 55 Ca 0.18 -0.93 -0.04 0.00 0.31 0.00 0.00 61.69 61.22 2nlu s THR 55 Cb 0.01 -1.58 0.01 0.00 0.01 0.00 0.00 72.50 70.95 2nlu s THR 55 CO 0.13 0.51 0.53 0.00 -0.69 0.00 0.00 174.62 175.10 2nlu s ALA 56 N 0.10 0.60 -0.24 7.40 0.00 -0.20 -4.95 121.76 124.47 2nlu s ALA 56 Ca -0.09 -1.44 0.01 0.00 0.00 0.00 0.00 51.96 50.44 2nlu s ALA 56 Cb -0.15 1.09 0.04 0.00 0.00 0.00 0.00 23.12 24.10 2nlu s ALA 56 CO 0.05 -0.82 -0.11 -0.06 0.00 0.00 0.00 175.76 174.82 2nlu s PHE 57 N -2.87 3.10 0.45 0.00 0.08 -1.26 0.08 117.98 117.55 2nlu s PHE 57 Ca 0.29 -1.94 0.04 0.00 0.12 0.00 0.00 56.93 55.43 2nlu s PHE 57 Cb -0.01 -1.97 -0.04 0.00 -0.57 0.00 0.00 43.02 40.42 2nlu s PHE 57 CO 0.20 -0.82 0.02 -0.51 -0.10 0.00 0.00 175.22 174.01 2nlu s LEU 58 N 1.21 2.48 0.26 -0.37 1.02 -0.80 -4.90 118.68 117.58 2nlu s LEU 58 Ca -0.03 -1.53 0.11 0.00 0.02 0.00 0.00 54.13 52.70 2nlu s LEU 58 Cb -0.17 -0.72 -0.05 0.00 0.02 0.00 0.00 46.19 45.27 2nlu s LEU 58 CO -0.07 -0.69 -0.13 -0.83 0.02 0.00 0.00 176.35 174.65 2nlu s GLY 59 N -3.76 1.78 0.50 -3.19 0.00 -1.26 -0.72 107.32 100.67 2nlu s GLY 59 Ca 0.20 -1.75 0.34 0.00 0.00 0.00 0.00 44.72 43.51 2nlu s GLY 59 CO 0.10 -1.82 2.02 -0.56 0.00 0.00 0.00 173.10 172.84 2nlu h PRO 60 N 2.29 0.00 0.00 2.90 0.13 -1.92 -2.42 132.00 132.99 2nlu h PRO 60 Ca -0.43 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.64 2nlu h PRO 60 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 2nlu h PRO 60 CO 0.59 0.00 -0.29 0.87 -0.23 0.00 0.00 178.00 178.94 2nlu h LYS 61 N 0.00 0.00 -0.39 0.86 1.57 -1.95 -2.29 116.57 114.37 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 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2nlu h LYS 61 CO 0.00 0.29 0.00 -0.25 -0.57 0.00 0.00 179.45 178.92 2nlu n ASP 62 N -3.32 4.12 -4.34 0.86 8.00 -0.92 -4.93 116.55 116.02 2nlu n ASP 62 Ca 0.01 -2.72 -0.34 0.00 0.71 0.00 0.00 54.79 52.45 2nlu n ASP 62 Cb 0.53 -0.51 -0.14 0.00 -0.02 0.00 0.00 41.12 40.98 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 -2.31 2.83 -0.01 0.64 2.96 -0.86 -4.96 118.68 116.97 2nlu s LEU 63 Ca 0.42 -0.35 0.07 0.00 -0.22 0.00 0.00 54.13 54.05 2nlu s LEU 63 Cb 0.31 -1.68 -0.02 0.00 0.50 0.00 0.00 46.19 45.30 2nlu s LEU 63 CO 0.14 0.07 -0.23 -0.36 -1.32 0.00 0.00 176.35 174.65 2nlu s PHE 64 N 0.91 2.08 -0.15 5.38 0.08 -1.26 -4.92 117.98 120.10 2nlu s PHE 64 Ca -0.02 -0.39 -0.29 0.00 0.12 0.00 0.00 56.93 56.35 2nlu s PHE 64 Cb -0.15 -1.32 -0.03 0.00 -0.57 0.00 0.00 43.02 40.95 2nlu s PHE 64 CO 0.00 -0.01 1.44 -1.25 -0.10 0.00 0.00 175.22 175.31 2nlu s PRO 65 N -0.67 4.13 0.38 0.24 0.04 -1.26 -4.92 135.00 132.95 2nlu s PRO 65 Ca 0.09 1.80 0.15 0.00 0.04 0.00 0.00 61.00 63.09 2nlu s PRO 65 Cb -0.09 -3.88 0.78 0.00 0.04 0.00 0.00 34.50 31.35 2nlu s PRO 65 CO -0.00 -0.87 1.83 0.10 0.04 0.00 0.00 177.00 178.10 2nlu h TYR 66 N 9.08 0.00 -0.96 0.56 -0.00 -1.99 -2.79 116.97 120.88 2nlu h TYR 66 Ca -0.32 0.00 0.26 0.00 0.00 0.00 0.00 58.73 58.67 2nlu h TYR 66 Cb 1.13 0.00 -0.13 0.00 0.00 0.00 0.00 36.73 37.73 2nlu h TYR 66 CO 0.85 0.36 0.49 1.49 -0.00 0.00 0.00 178.16 181.35 2nlu h GLU 67 N 0.00 0.40 0.00 0.10 4.57 -2.00 0.40 114.58 118.05 2nlu h GLU 67 Ca -0.00 -0.02 -0.10 0.00 -1.18 0.00 0.00 59.36 58.05 2nlu h GLU 67 Cb 0.68 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.16 2nlu h GLU 67 CO 0.05 0.27 -1.61 -0.85 -1.18 0.00 0.00 179.01 175.69 2nlu n GLU 68 N -5.02 1.42 -0.01 1.92 0.28 -1.23 -4.71 120.64 113.29 2nlu n GLU 68 Ca 0.26 -0.05 0.10 0.00 -0.16 0.00 0.00 57.16 57.31 2nlu n GLU 68 Cb 0.78 -1.26 -0.14 0.00 1.43 0.00 0.00 31.44 32.25 2nlu n GLU 68 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2nlu n SER 69 N -2.15 0.60 0.29 -1.84 7.64 -0.84 -4.23 113.62 113.09 2nlu n SER 69 Ca -0.10 -0.41 0.17 0.00 1.01 0.00 0.00 58.87 59.55 2nlu n SER 69 Cb 0.58 1.54 0.88 0.00 -1.01 0.00 0.00 64.21 66.20 2nlu n SER 69 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 2nlu h LYS 70 N 0.00 0.00 0.00 1.43 2.10 -0.42 -0.98 116.57 118.70 2nlu h LYS 70 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2nlu h LYS 70 Cb 0.73 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.06 2nlu h LYS 70 CO 0.00 0.05 0.00 0.93 -2.00 0.00 0.00 179.45 178.43 2nlu h GLU 71 N 0.00 0.00 0.20 0.07 4.39 -1.76 0.24 114.58 117.73 2nlu h GLU 71 Ca -0.00 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.36 2nlu h GLU 71 Cb 0.26 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.93 2nlu h GLU 71 CO 0.01 0.00 -1.58 0.87 -1.16 0.00 0.00 179.01 177.15 2nlu h LYS 72 N 0.00 0.43 -0.51 2.33 6.56 -1.44 -3.34 116.57 120.60 2nlu h LYS 72 Ca 0.00 -0.74 0.00 0.00 -1.06 0.00 0.00 60.65 58.85 2nlu h LYS 72 Cb 0.60 0.27 0.00 0.00 -0.57 0.00 0.00 32.23 32.53 2nlu h LYS 72 CO 0.00 1.34 0.00 1.19 -2.06 0.00 0.00 179.45 179.92 2nlu n PHE 73 N -3.62 0.67 -1.69 -1.35 3.72 -1.04 -4.77 117.46 109.37 2nlu n PHE 73 Ca -0.19 -0.34 -0.40 0.00 -0.05 0.00 0.00 57.45 56.47 2nlu n PHE 73 Cb 1.08 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.59 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 1.51 2.66 2.83 1.37 0.00 0.82 -4.69 105.19 109.70 2nlu n GLY 74 Ca 0.21 -1.25 -0.14 0.00 0.00 0.00 0.00 46.02 44.84 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 4.79 0.53 -0.68 1.61 -2.85 -1.26 -5.03 119.74 116.86 2nlu s LYS 75 Ca 0.57 -0.44 -0.08 0.00 -1.00 0.00 0.00 55.97 55.02 2nlu s LYS 75 Cb 0.10 -0.55 -0.20 0.00 -2.06 0.00 0.00 37.83 35.12 2nlu s LYS 75 CO 0.07 -1.12 3.35 -2.30 0.10 0.00 0.00 175.35 175.45 2nlu n PRO 76 N 4.74 2.71 0.03 1.78 -0.02 -1.26 -4.40 135.00 138.57 2nlu n PRO 76 Ca 0.06 -1.50 0.12 0.00 -2.02 0.00 0.00 63.50 60.16 2nlu n PRO 76 Cb 0.47 -2.33 0.23 0.00 -0.02 0.00 0.00 33.50 31.85 2nlu n PRO 76 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2nlu n ASN 77 N 2.95 0.56 -2.54 2.55 6.94 -1.26 -4.21 115.26 120.25 2nlu n ASN 77 Ca 0.58 -0.04 -0.25 0.00 -0.02 0.00 0.00 54.58 54.85 2nlu n ASN 77 Cb 0.63 0.19 -0.09 0.00 -2.36 0.00 0.00 39.78 38.15 2nlu n ASN 77 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2nlu n LYS 78 N -1.79 2.70 -0.64 -3.83 4.76 -1.26 -4.96 118.16 113.14 2nlu n LYS 78 Ca 0.04 -1.98 0.09 0.00 -2.87 0.00 0.00 58.31 53.59 2nlu n LYS 78 Cb 0.39 -2.23 -0.02 0.00 -1.84 0.00 0.00 35.03 31.32 2nlu n LYS 78 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2nlu n ARG 79 N 1.90 -1.29 -0.30 1.97 1.74 -1.26 -3.09 116.66 116.33 2nlu n ARG 79 Ca 0.52 0.85 0.08 0.00 -0.77 0.00 0.00 57.85 58.53 2nlu n ARG 79 Cb 0.61 -1.58 0.24 0.00 -1.02 0.00 0.00 32.46 30.71 2nlu n ARG 79 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2nlu h LYS 80 N 0.00 0.57 0.52 5.56 3.64 -1.92 0.13 116.57 125.06 2nlu h LYS 80 Ca 0.01 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 2nlu h LYS 80 Cb 0.59 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 2nlu h LYS 80 CO 0.00 0.37 -0.34 0.78 -2.27 0.00 0.00 179.45 178.00 2nlu h GLY 81 N 0.58 -0.89 1.19 5.01 0.00 -1.85 0.34 103.07 107.46 2nlu h GLY 81 Ca 0.48 0.38 -0.15 0.00 0.00 0.00 0.00 47.33 48.04 2nlu h GLY 81 CO -0.39 -0.32 -0.35 -2.75 0.00 0.00 0.00 176.54 172.72 2nlu h PHE 82 N -0.82 1.06 0.17 5.60 3.57 -1.41 -0.86 116.94 124.26 2nlu h PHE 82 Ca -0.06 -0.30 -0.01 0.00 3.53 0.00 0.00 57.97 61.13 2nlu h PHE 82 Cb 0.68 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.19 2nlu h PHE 82 CO -0.11 1.11 -0.08 1.03 -2.23 0.00 0.00 178.31 178.03 2nlu h SER 83 N 0.74 -0.20 -0.16 0.41 0.87 -0.62 0.83 113.55 115.43 2nlu h SER 83 Ca 0.07 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.56 2nlu h SER 83 Cb 0.93 0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.94 2nlu h SER 83 CO 0.09 -0.11 -0.08 -0.08 -0.53 0.00 0.00 176.83 176.12 2nlu h GLU 84 N -0.27 0.33 -0.95 2.24 4.81 -0.33 -2.15 114.58 118.25 2nlu h GLU 84 Ca -0.02 -0.14 0.04 0.00 -0.13 0.00 0.00 59.36 59.10 2nlu h GLU 84 Cb 0.21 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.53 2nlu h GLU 84 CO 0.04 0.65 0.62 0.78 -0.73 0.00 0.00 179.01 180.37 2nlu h GLY 85 N -0.00 1.39 1.08 1.92 0.00 -1.10 0.41 103.07 106.77 2nlu h GLY 85 Ca 0.03 -0.47 -0.10 0.00 0.00 0.00 0.00 47.33 46.79 2nlu h GLY 85 CO 0.02 0.40 -0.06 -2.00 0.00 0.00 0.00 176.54 174.91 2nlu h LEU 86 N 1.20 1.02 -0.18 3.11 6.46 -0.76 -2.43 115.31 123.73 2nlu h LEU 86 Ca 0.38 -0.33 -0.03 0.00 -0.12 0.00 0.00 57.88 57.78 2nlu h LEU 86 Cb 0.00 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 39.65 2nlu h LEU 86 CO -0.12 1.11 -0.00 -0.25 -0.62 0.00 0.00 178.44 178.55 2nlu h TRP 87 N 0.91 0.35 -0.45 1.25 2.91 -0.65 0.13 115.95 120.41 2nlu h TRP 87 Ca 0.15 -0.06 0.09 0.00 1.13 0.00 0.00 58.89 60.20 2nlu h TRP 87 Cb 0.62 -0.09 -0.02 0.00 -0.51 0.00 0.00 29.16 29.16 2nlu h TRP 87 CO 0.04 0.53 0.31 0.93 -1.03 0.00 0.00 178.44 179.22 2nlu h GLU 88 N 0.08 0.20 0.08 2.65 5.08 -0.02 -1.08 114.58 121.57 2nlu h GLU 88 Ca 0.05 -0.01 -0.25 0.00 -1.00 0.00 0.00 59.36 58.15 2nlu h GLU 88 Cb 0.39 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2nlu h GLU 88 CO 0.01 0.13 -1.33 0.97 -1.00 0.00 0.00 179.01 177.79 2nlu h ILE 89 N 0.21 1.02 0.35 3.13 -0.00 -1.36 -3.38 117.51 117.47 2nlu h ILE 89 Ca 0.21 -2.34 -0.00 0.00 -0.00 0.00 0.00 64.86 62.73 2nlu h ILE 89 Cb 0.55 2.63 -0.03 0.00 -0.00 0.00 0.00 36.82 39.97 2nlu h ILE 89 CO -0.04 0.62 -0.39 -0.08 -0.00 0.00 0.00 178.15 178.27 2nlu h GLU 90 N -0.48 -0.74 -0.21 2.19 4.57 0.37 -1.35 114.58 118.92 2nlu h GLU 90 Ca -0.30 0.05 0.06 0.00 -1.18 0.00 0.00 59.36 57.99 2nlu h GLU 90 Cb 1.62 0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 30.37 2nlu h GLU 90 CO -0.01 -0.50 0.22 -2.95 -1.18 0.00 0.00 179.01 174.60 2nlu h ASN 91 N -0.77 0.00 -5.10 1.04 -0.00 -1.48 -3.48 115.58 105.79 2nlu h ASN 91 Ca -0.02 0.00 0.01 0.00 -0.00 0.00 0.00 56.30 56.28 2nlu h ASN 91 Cb 0.70 0.00 -0.10 0.00 -0.00 0.00 0.00 38.32 38.93 2nlu h ASN 91 CO -0.09 0.00 -1.41 -3.20 -0.00 0.00 0.00 177.43 172.73 2nlu n ASN 92 N -3.86 -2.48 -3.15 6.14 2.85 -0.51 -5.06 115.26 109.19 2nlu n ASN 92 Ca 0.02 1.35 0.00 0.00 -0.11 0.00 0.00 54.58 55.84 2nlu n ASN 92 Cb 0.35 -5.11 0.00 0.00 1.24 0.00 0.00 39.78 36.26 2nlu n ASN 92 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2nlu n PRO 93 N 1.52 2.29 -1.91 1.20 -0.04 -1.26 -4.84 135.00 131.94 2nlu n PRO 93 Ca -0.31 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.73 2nlu n PRO 93 Cb 0.49 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.94 2nlu n PRO 93 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2nlu n THR 94 N -0.04 3.43 -2.31 0.52 -1.04 -1.26 -4.88 114.28 108.70 2nlu n THR 94 Ca 0.00 -3.17 -0.34 0.00 -2.04 0.00 0.00 64.05 58.50 2nlu n THR 94 Cb 0.00 -2.52 -0.04 0.00 -1.82 0.00 0.00 70.33 65.96 2nlu n THR 94 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2nlu s VAL 95 N 3.76 3.74 -0.53 12.58 1.01 -1.26 -4.88 120.40 134.82 2nlu s VAL 95 Ca 0.50 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.60 2nlu s VAL 95 Cb 0.11 -4.67 0.14 0.00 0.00 0.00 0.00 36.38 31.96 2nlu s VAL 95 CO -0.03 -1.47 0.29 -0.75 0.00 0.00 0.00 175.10 173.14 2nlu s LYS 96 N 5.75 2.11 -0.03 2.72 2.20 -1.26 -5.08 119.74 126.14 2nlu s LYS 96 Ca 0.59 -2.50 -0.26 0.00 -0.36 0.00 0.00 55.97 53.44 2nlu s LYS 96 Cb -0.01 -3.44 -0.04 0.00 -1.51 0.00 0.00 37.83 32.83 2nlu s LYS 96 CO 0.01 -1.11 0.82 0.00 -0.36 0.00 0.00 175.35 174.71 2nlu s ALA 97 N -0.06 3.27 -0.67 3.13 0.00 -1.26 -5.00 121.76 121.16 2nlu s ALA 97 Ca 0.16 0.31 -0.27 0.00 0.00 0.00 0.00 51.96 52.16 2nlu s ALA 97 Cb -0.23 -3.12 0.03 0.00 0.00 0.00 0.00 23.12 19.80 2nlu s ALA 97 CO -0.02 -0.14 1.23 -1.12 0.00 0.00 0.00 175.76 175.71 2nlu s SER 98 N 0.82 6.27 -1.42 0.00 0.01 -1.26 -4.92 113.70 113.21 2nlu s SER 98 Ca 0.43 -0.26 -0.09 0.00 1.31 0.00 0.00 55.95 57.34 2nlu s SER 98 Cb -0.19 -2.55 0.06 0.00 0.21 0.00 0.00 66.02 63.55 2nlu s SER 98 CO 0.23 -1.68 2.42 0.61 0.41 0.00 0.00 173.24 175.23 2nlu n GLY 99 N 5.25 4.75 0.27 3.44 0.00 -1.26 -5.37 105.19 112.28 2nlu n GLY 99 Ca 0.05 -1.85 0.15 0.00 0.00 0.00 0.00 46.02 44.37 2nlu n GLY 99 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90