#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 6.38 0.00 7.83 1.04 -1.26 -4.88 113.70 122.81 2nlu s SER 2 Ca 0.00 2.93 0.00 0.00 0.48 0.00 0.00 55.95 59.36 2nlu s SER 2 Cb 0.00 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.49 2nlu s SER 2 CO 0.00 -0.92 0.00 -1.14 0.98 0.00 0.00 173.24 172.16 2nlu n ARG 3 N 2.46 1.58 0.00 4.02 0.63 -1.26 -5.15 116.66 118.94 2nlu n ARG 3 Ca 0.09 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.02 2nlu n ARG 3 Cb 0.37 -0.67 0.00 0.00 0.45 0.00 0.00 32.46 32.61 2nlu n ARG 3 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 2nlu n SER 4 N -0.97 -4.20 -4.72 6.15 3.41 -1.26 -4.69 113.62 107.34 2nlu n SER 4 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 2nlu n SER 4 Cb 0.16 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.07 2nlu n SER 4 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2nlu s ASN 5 N -4.00 7.25 -0.66 4.04 0.01 -1.26 -4.97 114.94 115.35 2nlu s ASN 5 Ca 0.00 1.92 -0.27 0.00 -0.71 0.00 0.00 52.86 53.79 2nlu s ASN 5 Cb 0.00 -2.58 0.02 0.00 0.41 0.00 0.00 41.25 39.10 2nlu s ASN 5 CO 0.00 -0.31 1.31 -0.13 -1.51 0.00 0.00 177.10 176.46 2nlu s ARG 6 N 0.57 3.28 0.25 -0.60 0.52 -1.26 -5.00 118.95 116.71 2nlu s ARG 6 Ca 0.53 0.06 -0.27 0.00 -0.52 0.00 0.00 55.73 55.54 2nlu s ARG 6 Cb -0.27 -4.13 -0.09 0.00 0.52 0.00 0.00 34.95 30.98 2nlu s ARG 6 CO 0.30 -2.01 0.89 1.14 0.02 0.00 0.00 175.30 175.65 2nlu s GLN 7 N 5.54 4.65 0.00 3.54 -2.07 -1.26 -4.90 119.66 125.16 2nlu s GLN 7 Ca 0.42 1.31 0.00 0.00 -1.82 0.00 0.00 55.36 55.27 2nlu s GLN 7 Cb -0.09 -3.07 0.00 0.00 -1.09 0.00 0.00 33.01 28.77 2nlu s GLN 7 CO 0.20 0.43 0.00 0.36 -1.32 0.00 0.00 175.29 174.97 2nlu n LYS 8 N 1.11 0.00 -0.28 9.60 2.85 -1.26 -4.94 118.16 125.23 2nlu n LYS 8 Ca -0.01 -0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.24 2nlu n LYS 8 Cb 0.49 -0.03 0.00 0.00 -0.65 0.00 0.00 35.03 34.83 2nlu n LYS 8 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 2nlu n GLU 9 N 0.00 0.00 -4.67 -1.58 0.28 -1.26 -4.87 120.64 108.55 2nlu n GLU 9 Ca 0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.70 2nlu n GLU 9 Cb 0.26 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 33.04 2nlu n GLU 9 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 2nlu s TYR 10 N 0.00 2.01 0.00 -1.84 2.02 -1.26 -5.07 117.35 113.21 2nlu s TYR 10 Ca 0.00 -0.94 0.00 0.00 -0.37 0.00 0.00 57.07 55.76 2nlu s TYR 10 Cb 0.00 -1.55 0.00 0.00 -0.40 0.00 0.00 41.96 40.01 2nlu s TYR 10 CO 0.00 0.18 0.00 0.36 -1.57 0.00 0.00 175.55 174.52 2nlu n LYS 11 N -1.10 2.16 0.00 -0.62 2.85 -1.26 -3.44 118.16 116.75 2nlu n LYS 11 Ca -0.13 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.13 2nlu n LYS 11 Cb 0.67 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.05 2nlu n LYS 11 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2nlu n GLY 13 N 0.00 0.00 3.68 0.00 0.00 -1.24 -4.69 105.19 102.94 2nlu n GLY 13 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 6.50 -0.22 1.61 1.01 -1.07 -4.57 116.67 119.93 2nlu s ASP 14 Ca 0.00 2.62 -0.14 0.00 0.71 0.00 0.00 52.55 55.74 2nlu s ASP 14 Cb 0.00 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 2nlu s ASP 14 CO 0.00 -0.98 0.31 -0.22 0.21 0.00 0.00 175.17 174.50 2nlu s LEU 15 N 3.19 4.13 0.00 1.23 0.20 -1.26 -0.10 118.68 126.07 2nlu s LEU 15 Ca 0.80 0.36 -0.01 0.00 0.69 0.00 0.00 54.13 55.97 2nlu s LEU 15 Cb -0.42 -2.36 0.00 0.00 -0.43 0.00 0.00 46.19 42.98 2nlu s LEU 15 CO 0.36 -0.03 0.04 1.33 -0.29 0.00 0.00 176.35 177.75 2nlu n VAL 16 N 4.36 0.00 -3.24 1.68 0.24 -0.39 -4.98 118.33 116.00 2nlu n VAL 16 Ca -0.11 -0.04 -0.42 0.00 -2.04 0.00 0.00 64.34 61.73 2nlu n VAL 16 Cb 0.51 0.04 -0.08 0.00 -1.47 0.00 0.00 33.84 32.85 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 -8.39 3.15 0.42 6.34 0.08 -1.26 -0.49 117.98 117.83 2nlu s PHE 17 Ca 0.01 -0.01 -0.03 0.00 0.12 0.00 0.00 56.93 57.03 2nlu s PHE 17 Cb -0.00 -3.00 -0.03 0.00 -0.57 0.00 0.00 43.02 39.42 2nlu s PHE 17 CO 0.00 -0.64 0.67 0.00 -0.10 0.00 0.00 175.22 175.16 2nlu s ALA 18 N 2.41 3.54 -0.28 5.36 0.00 0.54 -4.70 121.76 128.64 2nlu s ALA 18 Ca 0.18 -0.70 0.01 0.00 0.00 0.00 0.00 51.96 51.45 2nlu s ALA 18 Cb -0.16 -2.36 0.08 0.00 0.00 0.00 0.00 23.12 20.68 2nlu s ALA 18 CO 0.15 -0.19 0.01 0.21 0.00 0.00 0.00 175.76 175.93 2nlu s LYS 19 N -4.54 1.33 0.42 0.00 2.20 -1.26 -0.13 119.74 117.75 2nlu s LYS 19 Ca 0.44 -1.19 0.07 0.00 -0.36 0.00 0.00 55.97 54.93 2nlu s LYS 19 Cb -0.10 -2.56 -0.05 0.00 -1.51 0.00 0.00 37.83 33.60 2nlu s LYS 19 CO 0.41 -0.78 0.15 1.41 -0.36 0.00 0.00 175.35 176.18 2nlu s MET 20 N 1.35 2.18 -0.08 4.03 1.75 -0.13 -4.96 119.30 123.44 2nlu s MET 20 Ca 0.02 -1.90 -0.29 0.00 -1.25 0.00 0.00 55.69 52.26 2nlu s MET 20 Cb -0.18 -1.92 -0.06 0.00 2.84 0.00 0.00 34.83 35.51 2nlu s MET 20 CO -0.11 -0.12 1.85 0.21 -0.65 0.00 0.00 175.02 176.19 2nlu s LYS 21 N -3.88 3.94 0.00 4.11 2.47 -1.26 -1.02 119.74 124.11 2nlu s LYS 21 Ca 0.39 2.23 0.00 0.00 -1.56 0.00 0.00 55.97 57.03 2nlu s LYS 21 Cb 0.05 -4.12 0.00 0.00 -1.46 0.00 0.00 37.83 32.30 2nlu s LYS 21 CO 0.21 -1.15 0.00 0.41 0.16 0.00 0.00 175.35 174.98 2nlu n GLY 22 N 4.62 1.55 2.75 5.54 0.00 -1.26 -4.96 105.19 113.42 2nlu n GLY 22 Ca 0.20 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 -2.82 2.52 -0.68 1.61 2.02 -0.19 -5.07 117.35 114.73 2nlu s TYR 23 Ca 0.00 -2.82 -0.25 0.00 -0.37 0.00 0.00 57.07 53.63 2nlu s TYR 23 Cb 0.00 -2.11 0.04 0.00 -0.40 0.00 0.00 41.96 39.50 2nlu s TYR 23 CO 0.00 -0.70 1.14 -1.25 -1.57 0.00 0.00 175.55 173.17 2nlu s PRO 24 N -0.41 3.21 -0.21 -1.71 0.04 -1.26 -0.96 135.00 133.70 2nlu s PRO 24 Ca 0.23 -0.39 -0.06 0.00 0.04 0.00 0.00 61.00 60.82 2nlu s PRO 24 Cb -0.12 -4.17 0.01 0.00 0.04 0.00 0.00 34.50 30.26 2nlu s PRO 24 CO -0.09 -1.94 0.23 0.72 0.04 0.00 0.00 177.00 175.96 2nlu n HIS 25 N 8.58 -1.92 -4.40 0.56 8.25 -1.02 -5.03 115.22 120.24 2nlu n HIS 25 Ca 0.01 0.79 -0.24 0.00 -0.26 0.00 0.00 57.72 58.03 2nlu n HIS 25 Cb 0.48 -2.86 -0.17 0.00 1.12 0.00 0.00 29.99 28.56 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 -1.59 1.27 -0.16 4.41 -0.11 0.81 -4.88 118.94 118.69 2nlu s TRP 26 Ca 0.10 -0.47 -0.31 0.00 1.22 0.00 0.00 56.10 56.63 2nlu s TRP 26 Cb -0.03 -0.98 -0.09 0.00 -1.50 0.00 0.00 33.47 30.88 2nlu s TRP 26 CO 0.41 -0.28 2.08 -2.30 -4.62 0.00 0.00 176.95 172.24 2nlu n PRO 27 N 4.01 2.02 -4.00 5.86 -0.02 -1.26 -0.34 135.00 141.26 2nlu n PRO 27 Ca -0.22 0.65 -0.10 0.00 -2.02 0.00 0.00 63.50 61.81 2nlu n PRO 27 Cb 0.51 -2.90 -0.11 0.00 -0.02 0.00 0.00 33.50 30.98 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 6.34 0.24 -0.25 3.55 0.00 0.36 -4.90 121.76 127.10 2nlu s ALA 28 Ca 0.98 -0.67 -0.09 0.00 0.00 0.00 0.00 51.96 52.18 2nlu s ALA 28 Cb -0.54 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 2nlu s ALA 28 CO 0.43 -0.15 0.11 0.50 0.00 0.00 0.00 175.76 176.66 2nlu s ARG 29 N -1.66 3.83 0.41 0.00 3.52 -1.26 -1.27 118.95 122.52 2nlu s ARG 29 Ca -0.13 -0.39 -0.24 0.00 -0.13 0.00 0.00 55.73 54.84 2nlu s ARG 29 Cb -0.09 -3.43 -0.09 0.00 -1.56 0.00 0.00 34.95 29.79 2nlu s ARG 29 CO -0.01 -0.10 1.09 -1.50 -0.81 0.00 0.00 175.30 173.97 2nlu s ILE 30 N 1.43 3.52 0.29 4.11 -1.16 0.86 -4.96 121.20 125.28 2nlu s ILE 30 Ca 0.06 1.17 0.01 0.00 -0.51 0.00 0.00 60.65 61.38 2nlu s ILE 30 Cb -0.15 -3.60 -0.00 0.00 0.61 0.00 0.00 42.46 39.31 2nlu s ILE 30 CO 0.06 0.01 0.34 -0.67 -2.81 0.00 0.00 174.94 171.87 2nlu n ASP 31 N -0.16 -0.93 -4.50 4.50 -0.08 -1.26 -3.60 116.55 110.52 2nlu n ASP 31 Ca 0.05 -2.67 -0.25 0.00 -1.51 0.00 0.00 54.79 50.41 2nlu n ASP 31 Cb 0.49 1.85 -0.10 0.00 2.34 0.00 0.00 41.12 45.70 2nlu n ASP 31 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2nlu s GLU 32 N -2.84 1.79 0.04 -0.67 2.02 -1.26 -4.71 118.70 113.07 2nlu s GLU 32 Ca 0.28 -1.53 -0.23 0.00 0.02 0.00 0.00 54.97 53.50 2nlu s GLU 32 Cb 0.00 -1.93 -0.06 0.00 0.10 0.00 0.00 34.13 32.24 2nlu s GLU 32 CO 0.20 0.38 0.68 -1.64 0.02 0.00 0.00 175.26 174.90 2nlu s MET 33 N -3.11 4.40 0.00 1.61 -1.94 -1.26 -4.95 119.30 114.05 2nlu s MET 33 Ca 0.26 0.91 0.00 0.00 -1.71 0.00 0.00 55.69 55.15 2nlu s MET 33 Cb -0.07 -3.33 0.00 0.00 2.01 0.00 0.00 34.83 33.44 2nlu s MET 33 CO 0.14 0.39 1.00 -2.30 -0.01 0.00 0.00 175.02 174.24 2nlu n PRO 34 N 2.51 0.56 -2.66 2.03 -0.02 -1.26 -4.73 135.00 131.43 2nlu n PRO 34 Ca -0.05 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.40 2nlu n PRO 34 Cb 0.50 -1.22 -0.03 0.00 -0.02 0.00 0.00 33.50 32.74 2nlu n PRO 34 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2nlu n GLU 35 N 1.50 -4.11 0.00 -0.52 2.13 -1.26 -5.06 120.64 113.33 2nlu n GLU 35 Ca 0.00 3.17 0.00 0.00 0.66 0.00 0.00 57.16 60.99 2nlu n GLU 35 Cb 0.28 -5.24 0.00 0.00 0.27 0.00 0.00 31.44 26.75 2nlu n GLU 35 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2nlu n ALA 36 N 1.24 2.21 -0.02 4.31 0.00 -1.26 -4.95 120.51 122.04 2nlu n ALA 36 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2nlu n ALA 36 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 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 -1.32 2.00 -3.32 0.00 0.00 -1.26 -5.01 120.51 111.59 2nlu n ALA 37 Ca 0.00 -0.14 -0.31 0.00 0.00 0.00 0.00 53.44 52.99 2nlu n ALA 37 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 2nlu n ALA 37 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2nlu s VAL 38 N -0.65 1.92 0.18 0.00 1.01 -1.26 -5.12 120.40 116.49 2nlu s VAL 38 Ca 0.00 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.09 2nlu s VAL 38 Cb 0.00 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 2nlu s VAL 38 CO 0.00 0.53 0.14 0.29 0.00 0.00 0.00 175.10 176.06 2nlu n LYS 39 N 3.65 0.27 -0.21 2.72 4.01 -1.26 -3.98 118.16 123.35 2nlu n LYS 39 Ca -0.20 -1.80 0.00 0.00 -0.51 0.00 0.00 58.31 55.81 2nlu n LYS 39 Cb 0.53 1.43 0.00 0.00 -0.51 0.00 0.00 35.03 36.47 2nlu n LYS 39 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 2nlu n SER 40 N -2.25 0.00 -4.70 4.39 3.41 -1.26 -5.02 113.62 108.20 2nlu n SER 40 Ca 0.03 -0.83 -0.41 0.00 -0.26 0.00 0.00 58.87 57.40 2nlu n SER 40 Cb 0.33 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.24 2nlu n SER 40 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2nlu s THR 41 N -0.33 4.89 -0.03 6.66 -1.32 -1.26 -4.87 115.64 119.38 2nlu s THR 41 Ca 0.00 1.82 0.07 0.00 -1.21 0.00 0.00 61.69 62.37 2nlu s THR 41 Cb 0.00 -4.21 0.12 0.00 -1.51 0.00 0.00 72.50 66.90 2nlu s THR 41 CO 0.00 0.11 1.05 0.00 -2.21 0.00 0.00 174.62 173.57 2nlu n ALA 42 N 4.50 2.15 -1.85 11.08 0.00 -1.26 -4.76 120.51 130.36 2nlu n ALA 42 Ca 0.05 -1.52 0.05 0.00 0.00 0.00 0.00 53.44 52.02 2nlu n ALA 42 Cb 0.50 -0.51 0.13 0.00 0.00 0.00 0.00 19.45 19.57 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 -0.19 1.44 -4.31 0.00 5.15 -1.26 -5.04 115.26 111.05 2nlu n ASN 43 Ca 0.04 -3.09 -0.24 0.00 -0.60 0.00 0.00 54.58 50.69 2nlu n ASN 43 Cb 0.76 -0.42 -0.12 0.00 -0.53 0.00 0.00 39.78 39.46 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 -1.97 1.20 0.03 1.20 1.02 -1.26 -4.27 119.74 115.70 2nlu s LYS 44 Ca 0.33 -1.27 0.01 0.00 0.02 0.00 0.00 55.97 55.07 2nlu s LYS 44 Cb 0.34 -1.41 -0.04 0.00 -0.52 0.00 0.00 37.83 36.20 2nlu s LYS 44 CO -0.08 0.31 0.09 0.71 -0.92 0.00 0.00 175.35 175.46 2nlu s TYR 45 N -1.48 3.27 -0.76 3.18 2.02 0.10 -4.92 117.35 118.75 2nlu s TYR 45 Ca 0.10 0.16 -0.26 0.00 -0.37 0.00 0.00 57.07 56.70 2nlu s TYR 45 Cb -0.08 -1.69 0.04 0.00 -0.40 0.00 0.00 41.96 39.82 2nlu s TYR 45 CO 0.05 0.54 1.27 -1.14 -1.57 0.00 0.00 175.55 174.70 2nlu s GLN 46 N -2.05 3.22 -0.27 -0.62 0.74 -1.26 -1.98 119.66 117.43 2nlu s GLN 46 Ca 0.26 -0.36 -0.10 0.00 0.05 0.00 0.00 55.36 55.21 2nlu s GLN 46 Cb -0.12 -4.28 -0.04 0.00 1.10 0.00 0.00 33.01 29.67 2nlu s GLN 46 CO 0.18 -2.13 0.16 0.08 -0.55 0.00 0.00 175.29 173.03 2nlu s VAL 47 N 5.53 5.03 -0.36 1.34 1.01 0.37 -4.98 120.40 128.34 2nlu s VAL 47 Ca 0.35 0.07 -0.27 0.00 0.00 0.00 0.00 61.98 62.13 2nlu s VAL 47 Cb -0.08 -3.38 0.02 0.00 0.00 0.00 0.00 36.38 32.93 2nlu s VAL 47 CO 0.13 0.28 0.98 -0.36 0.00 0.00 0.00 175.10 176.12 2nlu s PHE 48 N 1.71 3.08 -0.79 5.22 0.08 -1.26 -0.72 117.98 125.30 2nlu s PHE 48 Ca 0.07 0.87 -0.26 0.00 0.12 0.00 0.00 56.93 57.74 2nlu s PHE 48 Cb -0.16 -3.72 -0.00 0.00 -0.57 0.00 0.00 43.02 38.57 2nlu s PHE 48 CO 0.09 -0.85 1.66 0.12 -0.10 0.00 0.00 175.22 176.14 2nlu s PHE 49 N 3.60 2.01 -0.32 0.36 5.36 0.86 -4.80 117.98 125.05 2nlu s PHE 49 Ca 0.41 0.24 0.27 0.00 -0.96 0.00 0.00 56.93 56.89 2nlu s PHE 49 Cb -0.12 -4.33 1.08 0.00 -0.34 0.00 0.00 43.02 39.32 2nlu s PHE 49 CO 0.19 -2.05 1.80 0.35 -1.46 0.00 0.00 175.22 174.04 2nlu h PHE 50 N 11.92 0.00 0.02 10.12 3.57 -1.93 0.21 116.94 140.84 2nlu h PHE 50 Ca -0.10 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.40 2nlu h PHE 50 Cb 1.07 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.81 2nlu h PHE 50 CO 1.15 0.00 -0.01 0.78 -2.23 0.00 0.00 178.31 178.00 2nlu h GLY 51 N 2.31 -0.02 0.99 2.40 0.00 -1.87 -3.37 103.07 103.52 2nlu h GLY 51 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2nlu h GLY 51 CO 0.00 -0.01 -0.01 -1.30 0.00 0.00 0.00 176.54 175.22 2nlu n THR 52 N -3.08 0.00 -2.49 4.70 -2.24 -1.23 -4.37 114.28 105.57 2nlu n THR 52 Ca -0.00 -0.03 -0.13 0.00 -2.27 0.00 0.00 64.05 61.62 2nlu n THR 52 Cb 0.01 -0.37 0.01 0.00 -2.10 0.00 0.00 70.33 67.88 2nlu n THR 52 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2nlu n HIS 53 N -0.96 -0.91 -3.56 4.78 -0.00 0.65 -5.02 115.22 110.20 2nlu n HIS 53 Ca 0.20 0.17 -0.23 0.00 0.46 0.00 0.00 57.72 58.32 2nlu n HIS 53 Cb 0.18 -2.99 0.03 0.00 -0.12 0.00 0.00 29.99 27.09 2nlu n HIS 53 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 2nlu n GLU 54 N -2.50 0.67 -3.80 1.57 1.02 -0.68 -4.92 120.64 112.01 2nlu n GLU 54 Ca -0.11 -3.20 -0.25 0.00 -0.02 0.00 0.00 57.16 53.58 2nlu n GLU 54 Cb 0.59 0.13 -0.17 0.00 -0.02 0.00 0.00 31.44 31.98 2nlu n GLU 54 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2nlu s THR 55 N -2.57 0.59 0.36 2.62 2.01 -1.26 -0.10 115.64 117.29 2nlu s THR 55 Ca 0.41 -0.18 0.04 0.00 0.31 0.00 0.00 61.69 62.28 2nlu s THR 55 Cb -0.03 -0.81 -0.02 0.00 0.01 0.00 0.00 72.50 71.65 2nlu s THR 55 CO 0.26 0.16 0.16 0.00 -0.69 0.00 0.00 174.62 174.50 2nlu n ALA 56 N 5.06 0.56 -4.01 7.40 0.00 0.10 -4.95 120.51 124.67 2nlu n ALA 56 Ca -0.09 -1.89 -0.31 0.00 0.00 0.00 0.00 53.44 51.16 2nlu n ALA 56 Cb 0.49 1.32 -0.16 0.00 0.00 0.00 0.00 19.45 21.10 2nlu n ALA 56 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2nlu s PHE 57 N -3.02 2.49 0.14 0.00 0.08 -1.26 -0.48 117.98 115.93 2nlu s PHE 57 Ca 0.22 -1.63 0.11 0.00 0.12 0.00 0.00 56.93 55.75 2nlu s PHE 57 Cb 0.01 -1.67 -0.04 0.00 -0.57 0.00 0.00 43.02 40.75 2nlu s PHE 57 CO 0.16 -0.75 -0.27 -0.51 -0.10 0.00 0.00 175.22 173.75 2nlu s LEU 58 N 1.37 2.33 0.67 -0.37 1.02 -0.84 -4.90 118.68 117.96 2nlu s LEU 58 Ca -0.01 -0.76 0.03 0.00 0.02 0.00 0.00 54.13 53.40 2nlu s LEU 58 Cb -0.16 -1.21 0.11 0.00 0.02 0.00 0.00 46.19 44.95 2nlu s LEU 58 CO -0.08 0.17 0.92 -0.83 0.02 0.00 0.00 176.35 176.55 2nlu s GLY 59 N -2.13 1.75 0.28 -3.19 0.00 -1.26 0.01 107.32 102.78 2nlu s GLY 59 Ca 0.15 -1.88 0.01 0.00 0.00 0.00 0.00 44.72 42.99 2nlu s GLY 59 CO 0.06 -1.36 1.85 -2.55 0.00 0.00 0.00 173.10 171.10 2nlu h PRO 60 N -0.27 0.99 0.00 2.90 0.11 -1.89 -0.66 132.00 133.19 2nlu h PRO 60 Ca -0.34 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2nlu h PRO 60 Cb 1.27 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2nlu h PRO 60 CO 0.40 0.65 0.00 0.36 -0.21 0.00 0.00 178.00 179.21 2nlu n LYS 61 N -4.59 0.29 -0.00 1.05 2.85 -1.26 -2.18 118.16 114.31 2nlu n LYS 61 Ca 0.18 0.09 0.06 0.00 -1.05 0.00 0.00 58.31 57.59 2nlu n LYS 61 Cb 0.33 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 33.14 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 -1.29 0.94 -4.44 -5.58 8.00 -0.31 -4.99 116.55 108.89 2nlu n ASP 62 Ca 0.10 -0.60 -0.30 0.00 0.71 0.00 0.00 54.79 54.70 2nlu n ASP 62 Cb 0.17 1.12 -0.13 0.00 -0.02 0.00 0.00 41.12 42.26 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 -2.83 2.52 0.10 0.64 2.96 -0.86 -4.91 118.68 116.29 2nlu s LEU 63 Ca 0.02 -0.51 0.04 0.00 -0.22 0.00 0.00 54.13 53.46 2nlu s LEU 63 Cb 0.08 -1.45 -0.03 0.00 0.50 0.00 0.00 46.19 45.29 2nlu s LEU 63 CO 0.48 0.23 -0.11 -0.36 -1.32 0.00 0.00 176.35 175.26 2nlu s PHE 64 N -0.96 1.15 0.68 5.38 0.08 -1.26 -4.85 117.98 118.20 2nlu s PHE 64 Ca 0.15 -0.60 -0.16 0.00 0.12 0.00 0.00 56.93 56.44 2nlu s PHE 64 Cb -0.10 -0.62 0.01 0.00 -0.57 0.00 0.00 43.02 41.74 2nlu s PHE 64 CO 0.06 0.04 1.18 -2.14 -0.10 0.00 0.00 175.22 174.26 2nlu s PRO 65 N -2.57 2.48 -0.02 0.24 0.02 -1.26 -5.02 135.00 128.87 2nlu s PRO 65 Ca 0.05 1.66 -0.02 0.00 0.02 0.00 0.00 61.00 62.71 2nlu s PRO 65 Cb -0.05 -1.89 -0.01 0.00 0.02 0.00 0.00 34.50 32.58 2nlu s PRO 65 CO 0.01 -1.55 -0.04 0.98 -0.33 0.00 0.00 177.00 176.08 2nlu n TYR 66 N -2.42 0.00 -0.34 6.54 4.19 -1.26 -4.10 117.16 119.77 2nlu n TYR 66 Ca 0.13 0.00 0.12 0.00 3.31 0.00 0.00 57.90 61.46 2nlu n TYR 66 Cb 0.51 -0.05 0.32 0.00 0.49 0.00 0.00 39.34 40.61 2nlu n TYR 66 CO 0.00 0.00 0.00 1.49 0.91 0.00 0.00 176.86 179.26 2nlu h GLU 67 N -0.10 0.76 0.00 2.98 4.81 -2.00 0.15 114.58 121.19 2nlu h GLU 67 Ca 0.00 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.08 2nlu h GLU 67 Cb 0.10 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 2nlu h GLU 67 CO 0.00 0.51 -0.98 0.39 -0.73 0.00 0.00 179.01 178.20 2nlu n GLU 68 N -4.69 0.51 -0.06 1.92 -0.58 -1.26 -4.48 120.64 112.00 2nlu n GLU 68 Ca 0.21 0.46 0.09 0.00 -0.42 0.00 0.00 57.16 57.51 2nlu n GLU 68 Cb 0.52 -1.65 0.41 0.00 -0.57 0.00 0.00 31.44 30.15 2nlu n GLU 68 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2nlu n SER 69 N -4.51 1.09 0.31 1.62 3.41 -1.19 -3.91 113.62 110.45 2nlu n SER 69 Ca -0.19 -1.64 0.11 0.00 -0.26 0.00 0.00 58.87 56.88 2nlu n SER 69 Cb 0.47 -0.08 0.58 0.00 -0.26 0.00 0.00 64.21 64.93 2nlu n SER 69 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2nlu h LYS 70 N 1.43 0.00 -0.41 4.33 3.64 -0.84 -0.70 116.57 124.02 2nlu h LYS 70 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 2nlu h LYS 70 Cb 0.31 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 2nlu h LYS 70 CO 0.00 0.00 0.17 0.93 -2.27 0.00 0.00 179.45 178.28 2nlu h GLU 71 N 0.00 0.60 -0.06 1.90 5.08 -1.84 0.27 114.58 120.53 2nlu h GLU 71 Ca 0.00 -0.10 -0.14 0.00 -1.00 0.00 0.00 59.36 58.12 2nlu h GLU 71 Cb 0.94 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 2nlu h GLU 71 CO 0.00 0.55 -0.57 0.87 -1.00 0.00 0.00 179.01 178.86 2nlu h LYS 72 N 0.51 0.19 -0.38 2.33 1.57 -1.45 -2.87 116.57 116.48 2nlu h LYS 72 Ca 0.14 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2nlu h LYS 72 Cb 0.17 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2nlu h LYS 72 CO -0.01 0.71 0.00 1.19 -0.57 0.00 0.00 179.45 180.77 2nlu n PHE 73 N -3.89 0.49 -2.29 -1.35 3.72 -1.17 -4.73 117.46 108.23 2nlu n PHE 73 Ca -0.02 -0.25 -0.43 0.00 -0.05 0.00 0.00 57.45 56.70 2nlu n PHE 73 Cb 0.59 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.13 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 1.46 4.47 2.79 1.37 0.00 0.95 -4.75 105.19 111.48 2nlu n GLY 74 Ca 0.19 -1.97 -0.16 0.00 0.00 0.00 0.00 46.02 44.09 2nlu n GLY 74 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2nlu s LYS 75 N 1.20 0.50 -0.52 1.61 2.20 -1.26 -4.97 119.74 118.48 2nlu s LYS 75 Ca 0.42 -0.46 -0.27 0.00 -0.36 0.00 0.00 55.97 55.29 2nlu s LYS 75 Cb 0.09 -0.63 -0.01 0.00 -1.51 0.00 0.00 37.83 35.77 2nlu s LYS 75 CO -0.01 -1.11 1.71 -1.25 -0.36 0.00 0.00 175.35 174.33 2nlu s PRO 76 N 1.92 3.01 0.51 4.03 0.04 -1.26 -4.98 135.00 138.28 2nlu s PRO 76 Ca 0.13 0.77 -0.21 0.00 0.04 0.00 0.00 61.00 61.74 2nlu s PRO 76 Cb -0.14 -4.26 -0.06 0.00 0.04 0.00 0.00 34.50 30.07 2nlu s PRO 76 CO -0.18 -2.27 1.14 -0.80 0.04 0.00 0.00 177.00 174.93 2nlu s ASN 77 N 6.50 5.89 0.00 6.66 0.01 -1.26 -4.90 114.94 127.84 2nlu s ASN 77 Ca 0.66 2.21 0.08 0.00 -0.71 0.00 0.00 52.86 55.10 2nlu s ASN 77 Cb -0.15 -2.59 0.48 0.00 0.41 0.00 0.00 41.25 39.41 2nlu s ASN 77 CO 0.25 -1.11 1.04 2.29 -1.51 0.00 0.00 177.10 178.06 2nlu n LYS 78 N -1.02 0.66 -2.48 -0.60 2.85 -1.26 -3.69 118.16 112.61 2nlu n LYS 78 Ca 0.10 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.94 2nlu n LYS 78 Cb 0.50 -1.19 -0.03 0.00 -0.65 0.00 0.00 35.03 33.66 2nlu n LYS 78 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2nlu s ARG 79 N -2.00 4.37 0.19 -1.58 0.52 -1.26 -4.95 118.95 114.24 2nlu s ARG 79 Ca 0.12 1.65 -0.12 0.00 -0.52 0.00 0.00 55.73 56.86 2nlu s ARG 79 Cb 0.06 -3.54 0.13 0.00 0.52 0.00 0.00 34.95 32.12 2nlu s ARG 79 CO 0.09 -0.41 1.84 0.87 0.02 0.00 0.00 175.30 177.71 2nlu h LYS 80 N 7.37 0.78 -0.36 3.54 1.57 -1.99 0.74 116.57 128.21 2nlu h LYS 80 Ca -0.35 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.37 2nlu h LYS 80 Cb 1.16 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.28 2nlu h LYS 80 CO 0.87 0.51 0.17 0.78 -0.57 0.00 0.00 179.45 181.21 2nlu h GLY 81 N 0.80 0.54 0.46 3.86 0.00 -1.93 0.27 103.07 107.07 2nlu h GLY 81 Ca 0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 2nlu h GLY 81 CO -0.08 0.23 -0.03 -2.75 0.00 0.00 0.00 176.54 173.91 2nlu h PHE 82 N 0.50 0.06 -0.76 5.60 3.04 -1.53 -2.97 116.94 120.88 2nlu h PHE 82 Ca 0.13 -0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.03 2nlu h PHE 82 Cb 0.07 -0.01 -0.04 0.00 2.56 0.00 0.00 35.95 38.54 2nlu h PHE 82 CO 0.00 0.61 0.38 1.03 -2.02 0.00 0.00 178.31 178.31 2nlu h SER 83 N -0.51 0.99 0.18 0.41 0.87 -0.41 -1.81 113.55 113.27 2nlu h SER 83 Ca 0.00 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 2nlu h SER 83 Cb 0.60 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 2nlu h SER 83 CO 0.01 0.83 -0.16 -0.33 -0.53 0.00 0.00 176.83 176.66 2nlu h GLU 84 N 1.07 -0.34 -0.51 2.24 4.39 -0.55 0.23 114.58 121.11 2nlu h GLU 84 Ca 0.26 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.97 2nlu h GLU 84 Cb 0.10 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 2nlu h GLU 84 CO -0.04 -0.23 0.24 0.78 -1.16 0.00 0.00 179.01 178.61 2nlu h GLY 85 N -0.35 0.79 1.21 -3.84 0.00 -1.34 0.21 103.07 99.75 2nlu h GLY 85 Ca -0.00 -0.39 -0.16 0.00 0.00 0.00 0.00 47.33 46.78 2nlu h GLY 85 CO -0.02 0.37 -0.39 -2.00 0.00 0.00 0.00 176.54 174.50 2nlu h LEU 86 N 0.68 0.92 -0.06 3.11 7.12 -1.22 -2.34 115.31 123.52 2nlu h LEU 86 Ca 0.17 -0.42 -0.01 0.00 0.13 0.00 0.00 57.88 57.76 2nlu h LEU 86 Cb 0.12 -0.26 -0.00 0.00 -0.53 0.00 0.00 40.66 39.99 2nlu h LEU 86 CO -0.02 1.20 0.00 -0.25 -0.13 0.00 0.00 178.44 179.24 2nlu h TRP 87 N 0.70 0.11 -0.48 1.25 2.91 -0.32 -0.89 115.95 119.23 2nlu h TRP 87 Ca 0.06 -0.02 0.09 0.00 1.13 0.00 0.00 58.89 60.15 2nlu h TRP 87 Cb 0.97 -0.03 -0.03 0.00 -0.51 0.00 0.00 29.16 29.56 2nlu h TRP 87 CO 0.06 0.36 0.33 1.49 -1.03 0.00 0.00 178.44 179.65 2nlu h GLU 88 N -0.17 0.24 0.09 2.65 4.57 -0.48 0.62 114.58 122.09 2nlu h GLU 88 Ca 0.02 -0.01 -0.32 0.00 -1.18 0.00 0.00 59.36 57.86 2nlu h GLU 88 Cb 0.31 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 2nlu h GLU 88 CO 0.00 0.16 -1.75 0.97 -1.18 0.00 0.00 179.01 177.21 2nlu h ILE 89 N 0.24 0.87 -0.25 2.32 6.09 -1.36 -3.28 117.51 122.13 2nlu h ILE 89 Ca 0.22 -2.60 -0.19 0.00 -1.37 0.00 0.00 64.86 60.92 2nlu h ILE 89 Cb 0.56 2.57 0.00 0.00 0.47 0.00 0.00 36.82 40.42 2nlu h ILE 89 CO -0.04 0.75 -0.59 -0.08 -3.07 0.00 0.00 178.15 175.12 2nlu h GLU 90 N 0.05 0.82 -0.00 2.19 4.57 0.00 -2.77 114.58 119.45 2nlu h GLU 90 Ca -0.32 -0.54 0.00 0.00 -1.18 0.00 0.00 59.36 57.32 2nlu h GLU 90 Cb 2.02 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 30.69 2nlu h GLU 90 CO 0.11 1.17 -0.01 0.27 -1.18 0.00 0.00 179.01 179.37 2nlu n ASN 91 N -3.99 0.18 -3.24 1.04 2.04 0.10 -4.55 115.26 106.83 2nlu n ASN 91 Ca -0.05 -0.76 -0.04 0.00 -0.44 0.00 0.00 54.58 53.30 2nlu n ASN 91 Cb 0.65 -0.08 -0.03 0.00 -2.53 0.00 0.00 39.78 37.78 2nlu n ASN 91 CO 0.00 0.00 0.00 0.21 -0.44 0.00 0.00 177.26 177.03 2nlu s ASN 92 N -2.21 -0.71 0.20 0.53 2.47 -1.05 -4.99 114.94 109.18 2nlu s ASN 92 Ca 0.40 -0.67 0.08 0.00 0.42 0.00 0.00 52.86 53.08 2nlu s ASN 92 Cb 0.21 1.57 0.10 0.00 -1.45 0.00 0.00 41.25 41.68 2nlu s ASN 92 CO 0.41 -0.24 1.46 -0.65 -3.72 0.00 0.00 177.10 174.35 2nlu h PRO 93 N 7.41 0.04 -4.44 0.43 0.11 -1.80 -3.39 132.00 130.37 2nlu h PRO 93 Ca 0.02 -0.05 -0.73 0.00 0.11 0.00 0.00 66.00 65.35 2nlu h PRO 93 Cb 1.15 0.01 -0.13 0.00 0.11 0.00 0.00 31.00 32.14 2nlu h PRO 93 CO 0.16 0.81 1.96 0.25 -0.21 0.00 0.00 178.00 180.97 2nlu n THR 94 N -3.63 4.12 1.55 -1.15 -2.24 -1.26 -4.71 114.28 106.95 2nlu n THR 94 Ca -0.01 -4.29 0.12 0.00 -2.27 0.00 0.00 64.05 57.60 2nlu n THR 94 Cb 0.76 -2.43 0.53 0.00 -2.10 0.00 0.00 70.33 67.09 2nlu n THR 94 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2nlu n VAL 95 N 4.57 0.08 -1.73 2.28 0.24 -1.26 -4.58 118.33 117.93 2nlu n VAL 95 Ca 0.42 -0.21 -0.42 0.00 -2.04 0.00 0.00 64.34 62.09 2nlu n VAL 95 Cb 0.41 0.18 -0.00 0.00 -1.47 0.00 0.00 33.84 32.96 2nlu n VAL 95 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2nlu n LYS 96 N -0.09 2.78 0.00 7.34 5.02 -1.26 -3.24 118.16 128.71 2nlu n LYS 96 Ca 0.18 -2.58 0.00 0.00 -2.02 0.00 0.00 58.31 53.88 2nlu n LYS 96 Cb 0.26 -3.28 0.00 0.00 -0.02 0.00 0.00 35.03 32.00 2nlu n LYS 96 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2nlu n ALA 97 N 6.30 0.71 -2.14 7.82 0.00 -1.26 -5.02 120.51 126.91 2nlu n ALA 97 Ca 0.52 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.57 2nlu n ALA 97 Cb 0.39 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.81 2nlu n ALA 97 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2nlu s SER 98 N -1.20 5.45 0.00 0.00 0.15 -1.20 -4.75 113.70 112.14 2nlu s SER 98 Ca 0.00 0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.82 2nlu s SER 98 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 2nlu s SER 98 CO 0.00 -2.27 0.00 0.61 1.20 0.00 0.00 173.24 172.78 2nlu n GLY 99 N 5.64 -0.07 0.00 9.45 0.00 -1.26 -5.17 105.19 113.78 2nlu n GLY 99 Ca 0.17 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.87 2nlu n GLY 99 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90