#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nwp s GLU 2 N 0.00 2.50 -0.28 0.00 8.01 -1.26 -5.01 118.70 122.66 1nwp s GLU 2 Ca 0.00 -1.22 0.08 0.00 0.01 0.00 0.00 54.97 53.84 1nwp s GLU 2 Cb 0.00 -3.20 0.45 0.00 -4.31 0.00 0.00 34.13 27.07 1nwp s GLU 2 CO 0.00 -0.60 1.22 0.00 0.01 0.00 0.00 175.26 175.89 1nwp s LYS 4 N -3.51 0.58 -0.04 0.00 2.36 -1.26 -1.22 119.74 116.64 1nwp s LYS 4 Ca 0.48 0.01 -0.11 0.00 -2.55 0.00 0.00 55.97 53.80 1nwp s LYS 4 Cb 0.40 0.26 0.02 0.00 -1.05 0.00 0.00 37.83 37.46 1nwp s LYS 4 CO 0.01 -0.14 0.24 0.54 1.55 0.00 0.00 175.35 177.56 1nwp s VAL 5 N -0.86 0.04 -0.14 4.02 0.11 -0.62 -4.96 120.40 117.99 1nwp s VAL 5 Ca -0.09 -0.35 0.00 0.00 -2.93 0.00 0.00 61.98 58.60 1nwp s VAL 5 Cb -0.04 -0.47 -0.01 0.00 -1.53 0.00 0.00 36.38 34.32 1nwp s VAL 5 CO 0.03 -0.19 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.57 1nwp s THR 6 N -0.79 2.87 -0.08 5.04 2.01 -1.26 -0.60 115.64 122.83 1nwp s THR 6 Ca -0.09 -0.72 0.03 0.00 0.31 0.00 0.00 61.69 61.23 1nwp s THR 6 Cb -0.05 -2.20 -0.01 0.00 0.01 0.00 0.00 72.50 70.25 1nwp s THR 6 CO 0.02 0.52 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.60 1nwp s VAL 7 N 0.51 2.65 0.08 3.82 1.01 0.91 -4.97 120.40 124.41 1nwp s VAL 7 Ca -0.10 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.05 1nwp s VAL 7 Cb -0.16 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 1nwp s VAL 7 CO 0.04 0.56 0.22 -0.62 0.00 0.00 0.00 175.10 175.30 1nwp s ASP 8 N -0.08 6.35 0.08 3.32 2.15 -1.26 -0.86 116.67 126.37 1nwp s ASP 8 Ca -0.04 0.25 0.04 0.00 0.43 0.00 0.00 52.55 53.23 1nwp s ASP 8 Cb -0.14 -1.95 -0.03 0.00 -0.30 0.00 0.00 42.92 40.50 1nwp s ASP 8 CO 0.04 0.15 -0.11 -0.94 -0.17 0.00 0.00 175.17 174.14 1nwp s SER 9 N -2.64 1.39 0.37 -0.34 1.04 -0.07 -1.60 113.70 111.85 1nwp s SER 9 Ca 0.35 -0.69 0.04 0.00 0.48 0.00 0.00 55.95 56.13 1nwp s SER 9 Cb -0.13 -0.00 -0.05 0.00 0.10 0.00 0.00 66.02 65.94 1nwp s SER 9 CO 0.28 -0.19 0.07 0.42 0.98 0.00 0.00 173.24 174.81 1nwp s THR 10 N -1.82 1.04 -0.64 2.02 -4.23 -0.87 -0.81 115.64 110.33 1nwp s THR 10 Ca -0.01 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 58.74 1nwp s THR 10 Cb -0.07 -2.60 0.25 0.00 1.34 0.00 0.00 72.50 71.41 1nwp s THR 10 CO 0.01 0.00 1.72 0.47 -0.54 0.00 0.00 174.62 176.28 1nwp n ASP 11 N -0.95 0.60 -1.84 3.99 8.00 -1.26 -2.88 116.55 122.20 1nwp n ASP 11 Ca -0.05 0.61 0.06 0.00 0.71 0.00 0.00 54.79 56.12 1nwp n ASP 11 Cb 0.66 -0.75 0.39 0.00 -0.02 0.00 0.00 41.12 41.40 1nwp n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nwp n GLN 12 N -2.12 4.72 -3.23 -1.24 3.00 -1.26 -4.94 117.38 112.31 1nwp n GLN 12 Ca 0.04 -3.01 -0.15 0.00 -0.01 0.00 0.00 57.00 53.86 1nwp n GLN 12 Cb 0.29 -2.24 0.08 0.00 0.00 0.00 0.00 30.24 28.37 1nwp n GLN 12 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.06 176.94 1nwp n MET 13 N 0.58 -5.70 -4.03 -1.09 1.56 -1.14 -5.03 117.12 102.27 1nwp n MET 13 Ca 0.27 0.72 -0.08 0.00 -0.27 0.00 0.00 57.70 58.34 1nwp n MET 13 Cb 1.17 -5.38 -0.10 0.00 2.15 0.00 0.00 33.22 31.06 1nwp n MET 13 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 1nwp s SER 14 N -4.13 0.36 0.39 6.12 1.04 -1.26 -4.52 113.70 111.70 1nwp s SER 14 Ca 0.02 -0.75 -0.00 0.00 0.48 0.00 0.00 55.95 55.69 1nwp s SER 14 Cb -0.01 0.16 -0.03 0.00 0.10 0.00 0.00 66.02 66.24 1nwp s SER 14 CO 0.62 -0.46 0.60 -0.36 0.98 0.00 0.00 173.24 174.63 1nwp s PHE 15 N -2.75 3.45 -2.06 5.02 0.08 -1.26 -2.05 117.98 118.41 1nwp s PHE 15 Ca -0.04 0.39 0.13 0.00 0.12 0.00 0.00 56.93 57.52 1nwp s PHE 15 Cb -0.01 -2.03 0.41 0.00 -0.57 0.00 0.00 43.02 40.82 1nwp s PHE 15 CO -0.06 -0.03 1.32 0.27 -0.10 0.00 0.00 175.22 176.62 1nwp n ASN 16 N -1.91 1.67 -3.83 1.36 6.94 -0.63 -4.87 115.26 113.99 1nwp n ASN 16 Ca -0.03 -1.92 -0.09 0.00 -0.02 0.00 0.00 54.58 52.52 1nwp n ASN 16 Cb 0.56 -0.19 -0.07 0.00 -2.36 0.00 0.00 39.78 37.73 1nwp n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1nwp s THR 17 N -1.63 0.13 -0.33 5.53 -1.32 -1.26 -4.99 115.64 111.77 1nwp s THR 17 Ca 0.24 -1.08 0.03 0.00 -1.21 0.00 0.00 61.69 59.67 1nwp s THR 17 Cb 0.13 -1.27 0.02 0.00 -1.51 0.00 0.00 72.50 69.87 1nwp s THR 17 CO 0.17 -0.60 0.53 0.29 -2.21 0.00 0.00 174.62 172.80 1nwp n LYS 18 N 0.03 0.30 -3.74 7.08 5.02 -1.26 -4.90 118.16 120.69 1nwp n LYS 18 Ca -0.16 -0.58 -0.12 0.00 -2.02 0.00 0.00 58.31 55.43 1nwp n LYS 18 Cb 0.62 -1.00 -0.11 0.00 -0.02 0.00 0.00 35.03 34.52 1nwp n LYS 18 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1nwp s ASP 19 N -0.37 -0.38 -0.20 4.39 2.15 -1.26 -1.07 116.67 119.93 1nwp s ASP 19 Ca 0.03 0.72 -0.03 0.00 0.43 0.00 0.00 52.55 53.69 1nwp s ASP 19 Cb 0.02 0.67 -0.01 0.00 -0.30 0.00 0.00 42.92 43.30 1nwp s ASP 19 CO 0.05 -0.15 -0.05 -0.63 -0.17 0.00 0.00 175.17 174.22 1nwp s ILE 20 N 0.66 3.44 -0.25 4.11 1.01 -0.29 -4.96 121.20 124.91 1nwp s ILE 20 Ca -0.04 -0.48 -0.12 0.00 0.00 0.00 0.00 60.65 60.00 1nwp s ILE 20 Cb -0.05 -2.54 -0.05 0.00 0.01 0.00 0.00 42.46 39.83 1nwp s ILE 20 CO -0.04 0.45 0.24 0.00 0.00 0.00 0.00 174.94 175.59 1nwp s ALA 21 N 1.14 3.57 -0.27 9.38 0.00 -1.26 -0.76 121.76 133.55 1nwp s ALA 21 Ca 0.02 -0.89 -0.02 0.00 0.00 0.00 0.00 51.96 51.07 1nwp s ALA 21 Cb -0.15 -2.49 0.04 0.00 0.00 0.00 0.00 23.12 20.52 1nwp s ALA 21 CO -0.01 -0.41 -0.03 0.42 0.00 0.00 0.00 175.76 175.74 1nwp s ILE 22 N 1.51 2.96 0.03 0.00 1.01 0.25 -4.96 121.20 122.01 1nwp s ILE 22 Ca 0.10 -1.18 -0.31 0.00 0.00 0.00 0.00 60.65 59.26 1nwp s ILE 22 Cb -0.15 -2.60 -0.10 0.00 0.01 0.00 0.00 42.46 39.62 1nwp s ILE 22 CO 0.08 0.05 1.91 -0.67 0.00 0.00 0.00 174.94 176.31 1nwp n ASP 23 N 4.65 3.96 0.29 3.58 -0.08 -1.26 -1.03 116.55 126.67 1nwp n ASP 23 Ca -0.15 0.94 0.16 0.00 -1.51 0.00 0.00 54.79 54.23 1nwp n ASP 23 Cb 0.45 -1.50 0.91 0.00 2.34 0.00 0.00 41.12 43.33 1nwp n ASP 23 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1nwp h LYS 24 N 9.69 0.00 0.00 -0.67 3.64 -1.14 -1.33 116.57 126.76 1nwp h LYS 24 Ca -0.49 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.89 1nwp h LYS 24 Cb 1.24 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1nwp h LYS 24 CO 0.94 0.04 -0.03 0.77 -2.27 0.00 0.00 179.45 178.90 1nwp h SER 25 N 0.00 0.00 -3.32 4.20 0.02 -1.90 -3.44 113.55 109.12 1nwp h SER 25 Ca -0.00 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.42 1nwp h SER 25 Cb 0.12 0.00 0.04 0.00 0.14 0.00 0.00 62.40 62.69 1nwp h SER 25 CO 0.00 0.03 0.68 0.00 -1.14 0.00 0.00 176.83 176.41 1nwp h LYS 27 N 5.55 -0.23 -5.81 0.00 3.11 -1.89 -3.42 116.57 113.89 1nwp h LYS 27 Ca -0.44 0.02 -0.50 0.00 -2.81 0.00 0.00 60.65 56.91 1nwp h LYS 27 Cb 1.21 0.05 -0.17 0.00 -1.00 0.00 0.00 32.23 32.32 1nwp h LYS 27 CO 0.79 0.15 -0.77 0.95 -2.81 0.00 0.00 179.45 177.76 1nwp s THR 28 N -4.31 1.77 -0.02 1.00 -4.23 -1.26 -2.06 115.64 106.53 1nwp s THR 28 Ca -0.14 -1.96 0.04 0.00 -1.18 0.00 0.00 61.69 58.44 1nwp s THR 28 Cb 0.02 -1.86 -0.01 0.00 1.34 0.00 0.00 72.50 71.99 1nwp s THR 28 CO 0.57 -0.38 -0.13 0.12 -0.54 0.00 0.00 174.62 174.26 1nwp s PHE 29 N -2.24 1.22 -0.17 3.99 5.36 -0.37 -4.82 117.98 120.96 1nwp s PHE 29 Ca 0.17 -0.26 -0.00 0.00 -0.96 0.00 0.00 56.93 55.87 1nwp s PHE 29 Cb -0.05 -0.80 0.00 0.00 -0.34 0.00 0.00 43.02 41.83 1nwp s PHE 29 CO 0.06 -0.05 -0.15 0.99 -1.46 0.00 0.00 175.22 174.62 1nwp s THR 30 N -0.18 2.65 -0.22 0.12 2.01 -0.36 -1.09 115.64 118.56 1nwp s THR 30 Ca 0.03 -0.76 -0.08 0.00 0.31 0.00 0.00 61.69 61.19 1nwp s THR 30 Cb -0.07 -2.13 -0.04 0.00 0.01 0.00 0.00 72.50 70.28 1nwp s THR 30 CO -0.00 0.51 0.08 -0.69 -0.69 0.00 0.00 174.62 173.83 1nwp s VAL 31 N 1.00 4.64 -0.15 3.82 1.01 -0.03 -1.59 120.40 129.10 1nwp s VAL 31 Ca -0.02 -0.07 -0.04 0.00 0.00 0.00 0.00 61.98 61.85 1nwp s VAL 31 Cb -0.15 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 1nwp s VAL 31 CO -0.03 0.38 -0.00 -0.70 0.00 0.00 0.00 175.10 174.74 1nwp s GLU 32 N 1.11 3.62 -0.14 2.72 2.12 0.24 -0.97 118.70 127.40 1nwp s GLU 32 Ca 0.05 -0.45 0.00 0.00 0.36 0.00 0.00 54.97 54.93 1nwp s GLU 32 Cb -0.14 -2.97 -0.01 0.00 0.26 0.00 0.00 34.13 31.27 1nwp s GLU 32 CO 0.04 0.34 -0.15 -1.17 -0.54 0.00 0.00 175.26 173.77 1nwp s LEU 33 N 0.12 2.52 0.28 2.70 2.96 0.58 -0.06 118.68 127.78 1nwp s LEU 33 Ca 0.01 -0.43 0.10 0.00 -0.22 0.00 0.00 54.13 53.59 1nwp s LEU 33 Cb -0.13 -1.56 -0.05 0.00 0.50 0.00 0.00 46.19 44.95 1nwp s LEU 33 CO 0.02 0.12 -0.07 0.42 -1.32 0.00 0.00 176.35 175.52 1nwp s THR 34 N 0.61 3.04 -0.27 3.68 -4.23 -0.04 -1.64 115.64 116.79 1nwp s THR 34 Ca -0.09 -2.10 0.01 0.00 -1.18 0.00 0.00 61.69 58.34 1nwp s THR 34 Cb -0.16 -2.65 0.08 0.00 1.34 0.00 0.00 72.50 71.11 1nwp s THR 34 CO 0.03 -0.37 0.01 -2.28 -0.54 0.00 0.00 174.62 171.47 1nwp s HIS 35 N -2.41 2.50 0.87 3.99 2.46 -1.15 -0.90 115.29 120.65 1nwp s HIS 35 Ca 0.31 -2.01 -0.13 0.00 0.47 0.00 0.00 55.06 53.71 1nwp s HIS 35 Cb -0.05 -1.90 0.12 0.00 -0.13 0.00 0.00 32.58 30.61 1nwp s HIS 35 CO 0.18 -0.83 1.18 -1.54 -2.47 0.00 0.00 174.74 171.26 1nwp s SER 36 N 1.35 3.97 0.00 9.88 1.04 0.01 -1.55 113.70 128.40 1nwp s SER 36 Ca 0.02 0.77 0.00 0.00 0.48 0.00 0.00 55.95 57.22 1nwp s SER 36 Cb -0.18 -1.23 0.00 0.00 0.10 0.00 0.00 66.02 64.71 1nwp s SER 36 CO -0.11 -2.24 0.00 0.61 0.98 0.00 0.00 173.24 172.47 1nwp n GLY 37 N -2.99 -1.75 0.00 7.32 0.00 -1.26 -4.11 105.19 102.40 1nwp n GLY 37 Ca 0.09 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.40 1nwp n GLY 37 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nwp n SER 38 N 0.07 0.38 -4.75 1.61 3.41 -1.26 -4.45 113.62 108.63 1nwp n SER 38 Ca 0.00 -0.85 -0.40 0.00 -0.26 0.00 0.00 58.87 57.36 1nwp n SER 38 Cb 0.00 0.09 -0.05 0.00 -0.26 0.00 0.00 64.21 63.99 1nwp n SER 38 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1nwp s LEU 39 N -0.19 4.48 0.94 1.04 1.02 -1.26 -4.80 118.68 119.91 1nwp s LEU 39 Ca 0.00 1.51 -0.13 0.00 0.02 0.00 0.00 54.13 55.52 1nwp s LEU 39 Cb 0.00 -3.27 0.16 0.00 0.02 0.00 0.00 46.19 43.10 1nwp s LEU 39 CO 0.00 0.04 1.16 -2.16 0.02 0.00 0.00 176.35 175.41 1nwp s PRO 40 N -0.22 0.90 0.42 1.29 0.04 -1.26 -0.78 135.00 135.38 1nwp s PRO 40 Ca 0.39 0.17 0.19 0.00 0.04 0.00 0.00 61.00 61.79 1nwp s PRO 40 Cb -0.21 -1.82 0.91 0.00 0.04 0.00 0.00 34.50 33.42 1nwp s PRO 40 CO 0.24 -2.33 1.86 1.57 0.04 0.00 0.00 177.00 178.38 1nwp h LYS 41 N -1.59 0.00 -0.00 4.56 2.10 -1.85 -0.78 116.57 119.00 1nwp h LYS 41 Ca -0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 1nwp h LYS 41 Cb 1.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.65 1nwp h LYS 41 CO 0.57 0.30 -0.14 0.27 -2.00 0.00 0.00 179.45 178.44 1nwp n ASN 42 N -3.75 0.44 -0.11 7.07 6.94 -1.26 -1.47 115.26 123.12 1nwp n ASN 42 Ca -0.01 -0.43 -0.24 0.00 -0.02 0.00 0.00 54.58 53.87 1nwp n ASN 42 Cb 0.40 -0.08 -0.08 0.00 -2.36 0.00 0.00 39.78 37.65 1nwp n ASN 42 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1nwp n VAL 43 N -1.06 1.25 -2.80 3.53 0.31 -0.54 -4.84 118.33 114.17 1nwp n VAL 43 Ca 0.13 -0.33 -0.11 0.00 -0.01 0.00 0.00 64.34 64.02 1nwp n VAL 43 Cb 0.29 -1.78 0.03 0.00 -0.91 0.00 0.00 33.84 31.47 1nwp n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 1nwp n MET 44 N -3.97 1.10 -2.78 5.55 0.00 -0.41 -5.03 117.12 111.57 1nwp n MET 44 Ca -0.45 -3.03 -0.34 0.00 -0.00 0.00 0.00 57.70 53.88 1nwp n MET 44 Cb 0.82 -1.20 -0.07 0.00 0.00 0.00 0.00 33.22 32.78 1nwp n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1nwp s GLY 45 N -2.60 2.54 -0.00 -5.12 0.00 -0.54 -4.75 107.32 96.85 1nwp s GLY 45 Ca 0.29 0.46 0.03 0.00 0.00 0.00 0.00 44.72 45.51 1nwp s GLY 45 CO -0.01 0.80 -0.11 0.30 0.00 0.00 0.00 173.10 174.08 1nwp s HIS 46 N -1.97 0.96 0.45 1.90 3.76 -0.66 -4.73 115.29 115.00 1nwp s HIS 46 Ca 0.58 -0.20 0.04 0.00 -0.15 0.00 0.00 55.06 55.33 1nwp s HIS 46 Cb -0.13 -0.61 -0.05 0.00 1.11 0.00 0.00 32.58 32.90 1nwp s HIS 46 CO 0.17 -0.01 0.02 0.54 -0.85 0.00 0.00 174.74 174.61 1nwp s ASN 47 N -0.35 3.80 -0.12 1.40 2.20 -1.26 -0.70 114.94 119.91 1nwp s ASN 47 Ca 0.04 -1.52 0.01 0.00 -0.94 0.00 0.00 52.86 50.45 1nwp s ASN 47 Cb -0.04 0.09 0.02 0.00 -2.00 0.00 0.00 41.25 39.31 1nwp s ASN 47 CO -0.00 -0.67 -0.15 -0.22 -2.94 0.00 0.00 177.10 173.12 1nwp s LEU 48 N -3.76 1.70 -0.07 3.54 0.20 -1.26 -4.16 118.68 114.87 1nwp s LEU 48 Ca 0.22 -0.44 0.04 0.00 0.69 0.00 0.00 54.13 54.63 1nwp s LEU 48 Cb 0.06 -1.11 -0.00 0.00 -0.43 0.00 0.00 46.19 44.70 1nwp s LEU 48 CO 0.11 -0.01 -0.21 -0.69 -0.29 0.00 0.00 176.35 175.26 1nwp s VAL 49 N 1.15 1.79 -0.14 1.68 1.01 0.37 -1.52 120.40 124.74 1nwp s VAL 49 Ca -0.03 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 61.03 1nwp s VAL 49 Cb -0.14 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 1nwp s VAL 49 CO -0.04 0.50 -0.02 -0.63 0.00 0.00 0.00 175.10 174.91 1nwp s ILE 50 N 0.20 4.07 0.35 2.22 1.01 0.03 -1.43 121.20 127.65 1nwp s ILE 50 Ca -0.11 -0.30 -0.12 0.00 0.00 0.00 0.00 60.65 60.11 1nwp s ILE 50 Cb -0.15 -2.77 0.03 0.00 0.01 0.00 0.00 42.46 39.58 1nwp s ILE 50 CO 0.05 0.52 0.67 -0.94 0.00 0.00 0.00 174.94 175.24 1nwp s SER 51 N 0.04 0.23 0.38 3.58 1.04 -0.93 -0.98 113.70 117.06 1nwp s SER 51 Ca 0.01 -1.17 -0.28 0.00 0.48 0.00 0.00 55.95 54.99 1nwp s SER 51 Cb -0.13 0.77 -0.11 0.00 0.10 0.00 0.00 66.02 66.65 1nwp s SER 51 CO 0.02 -1.51 1.48 -0.54 0.98 0.00 0.00 173.24 173.68 1nwp s LYS 52 N -2.81 4.07 0.31 4.02 1.02 -1.26 -1.22 119.74 123.87 1nwp s LYS 52 Ca 0.20 2.56 0.06 0.00 0.02 0.00 0.00 55.97 58.81 1nwp s LYS 52 Cb -0.04 -2.94 0.75 0.00 -0.52 0.00 0.00 37.83 35.09 1nwp s LYS 52 CO 0.13 -0.56 1.79 1.49 -0.92 0.00 0.00 175.35 177.28 1nwp h GLU 53 N 2.93 0.74 0.00 1.68 4.81 -1.31 0.67 114.58 124.10 1nwp h GLU 53 Ca -0.51 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 1nwp h GLU 53 Cb 1.24 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.46 1nwp h GLU 53 CO 0.64 0.49 0.00 0.00 -0.73 0.00 0.00 179.01 179.41 1nwp n ALA 54 N -2.35 1.91 1.02 2.92 0.00 -1.26 -2.84 120.51 119.92 1nwp n ALA 54 Ca 0.23 -0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.77 1nwp n ALA 54 Cb 0.56 -1.38 -0.00 0.00 0.00 0.00 0.00 19.45 18.63 1nwp n ALA 54 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1nwp n ASP 55 N -1.94 1.37 0.16 0.00 8.00 0.22 -4.64 116.55 119.71 1nwp n ASP 55 Ca 0.04 -1.13 -0.14 0.00 0.71 0.00 0.00 54.79 54.27 1nwp n ASP 55 Cb 0.28 0.66 -0.07 0.00 -0.02 0.00 0.00 41.12 41.97 1nwp n ASP 55 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 1nwp h MET 56 N 1.06 -0.36 -0.35 -1.24 2.86 -1.41 -1.68 114.93 113.81 1nwp h MET 56 Ca 0.00 0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.62 1nwp h MET 56 Cb 0.60 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 1nwp h MET 56 CO 0.00 -0.24 0.04 0.37 1.06 0.00 0.00 176.91 178.15 1nwp h GLN 57 N -0.37 0.59 -1.00 1.72 5.75 -1.83 -0.80 115.11 119.18 1nwp h GLN 57 Ca -0.02 -0.17 0.06 0.00 -0.15 0.00 0.00 58.65 58.38 1nwp h GLN 57 Cb 0.31 -0.07 -0.07 0.00 1.07 0.00 0.00 27.48 28.73 1nwp h GLN 57 CO 0.02 0.67 0.65 -1.35 -2.65 0.00 0.00 178.83 176.17 1nwp h PRO 58 N 0.42 1.14 -0.11 -2.39 0.11 -1.81 0.65 132.00 130.00 1nwp h PRO 58 Ca 0.11 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.14 1nwp h PRO 58 Cb 0.38 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 31.23 1nwp h PRO 58 CO 0.01 0.75 0.05 0.82 -0.21 0.00 0.00 178.00 179.42 1nwp h ILE 59 N 1.17 1.12 -0.68 4.15 2.04 -1.06 -1.76 117.51 122.50 1nwp h ILE 59 Ca 0.43 -0.36 0.01 0.00 1.00 0.00 0.00 64.86 65.94 1nwp h ILE 59 Cb 0.16 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 1nwp h ILE 59 CO -0.17 0.11 0.45 0.00 0.00 0.00 0.00 178.15 178.54 1nwp h ALA 60 N 0.92 0.86 -0.68 1.87 0.00 -0.56 0.17 119.26 121.84 1nwp h ALA 60 Ca 0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1nwp h ALA 60 Cb 0.13 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1nwp h ALA 60 CO -0.00 0.29 0.30 1.15 0.00 0.00 0.00 179.25 180.99 1nwp h THR 61 N 0.92 1.24 0.00 0.00 2.02 -0.83 -1.91 112.91 114.35 1nwp h THR 61 Ca 0.25 -0.70 -0.02 0.00 0.77 0.00 0.00 66.41 66.71 1nwp h THR 61 Cb -0.10 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 66.74 1nwp h THR 61 CO -0.05 0.28 -0.08 0.44 0.37 0.00 0.00 175.52 176.48 1nwp h ASP 62 N 0.95 0.00 1.35 4.18 3.32 -0.76 -2.88 116.42 122.59 1nwp h ASP 62 Ca 0.23 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.17 1nwp h ASP 62 Cb 0.16 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1nwp h ASP 62 CO -0.02 0.08 -0.54 1.23 -1.72 0.00 0.00 179.24 178.27 1nwp h GLY 63 N 2.10 0.00 -0.17 2.75 0.00 -0.18 -3.36 103.07 104.21 1nwp h GLY 63 Ca -0.00 0.00 0.17 0.00 0.00 0.00 0.00 47.33 47.50 1nwp h GLY 63 CO 0.01 0.00 0.15 1.41 0.00 0.00 0.00 176.54 178.11 1nwp h LEU 64 N 0.00 -0.06 -0.13 3.11 3.38 -1.24 -1.15 115.31 119.22 1nwp h LEU 64 Ca -0.01 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1nwp h LEU 64 Cb 1.36 0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.34 1nwp h LEU 64 CO 0.07 -0.08 -0.28 -1.54 0.09 0.00 0.00 178.44 176.70 1nwp n SER 65 N -5.20 0.48 0.10 -0.43 3.41 -1.26 -3.75 113.62 106.98 1nwp n SER 65 Ca 0.15 -0.28 -0.04 0.00 -0.26 0.00 0.00 58.87 58.44 1nwp n SER 65 Cb 0.49 0.02 0.11 0.00 -0.26 0.00 0.00 64.21 64.56 1nwp n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nwp h ALA 66 N 3.24 0.82 0.00 7.33 0.00 -1.38 -3.50 119.26 125.78 1nwp h ALA 66 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1nwp h ALA 66 Cb 0.47 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1nwp h ALA 66 CO 0.00 0.80 0.00 0.41 0.00 0.00 0.00 179.25 180.46 1nwp n GLY 67 N 0.41 -0.97 0.23 0.00 0.00 -1.24 -4.29 105.19 99.34 1nwp n GLY 67 Ca -0.02 -1.63 0.15 0.00 0.00 0.00 0.00 46.02 44.52 1nwp n GLY 67 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1nwp h ILE 68 N 0.00 0.00 0.00 -0.61 2.10 -1.93 -1.27 117.51 115.80 1nwp h ILE 68 Ca 0.00 -0.51 -0.04 0.00 1.08 0.00 0.00 64.86 65.39 1nwp h ILE 68 Cb 0.00 1.45 -0.01 0.00 -1.09 0.00 0.00 36.82 37.17 1nwp h ILE 68 CO 0.00 0.00 -0.20 -0.78 -1.08 0.00 0.00 178.15 176.09 1nwp h ASP 69 N 0.00 0.00 -0.22 2.19 3.58 -2.01 -1.50 116.42 118.45 1nwp h ASP 69 Ca 0.00 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.40 1nwp h ASP 69 Cb 0.54 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.56 1nwp h ASP 69 CO 0.00 0.20 -0.04 0.29 -2.88 0.00 0.00 179.24 176.81 1nwp n LYS 70 N -3.75 2.24 -2.30 0.28 5.02 -0.83 -4.95 118.16 113.87 1nwp n LYS 70 Ca -0.02 -2.91 -0.18 0.00 -2.02 0.00 0.00 58.31 53.19 1nwp n LYS 70 Cb 0.31 -1.76 -0.01 0.00 -0.02 0.00 0.00 35.03 33.55 1nwp n LYS 70 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1nwp n GLN 71 N -0.89 -1.45 -3.99 1.97 1.13 -0.56 -2.40 117.38 111.19 1nwp n GLN 71 Ca 0.24 0.90 -0.27 0.00 -1.94 0.00 0.00 57.00 55.93 1nwp n GLN 71 Cb 0.88 -5.41 -0.02 0.00 0.11 0.00 0.00 30.24 25.80 1nwp n GLN 71 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1nwp n TYR 72 N -3.93 -1.69 -3.81 1.08 4.01 -0.54 -4.74 117.16 107.54 1nwp n TYR 72 Ca -0.22 0.76 -0.13 0.00 -0.16 0.00 0.00 57.90 58.15 1nwp n TYR 72 Cb 0.66 -3.65 -0.15 0.00 -0.31 0.00 0.00 39.34 35.89 1nwp n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1nwp s LEU 73 N -7.02 1.41 0.20 7.72 1.02 -1.01 -4.33 118.68 116.68 1nwp s LEU 73 Ca 0.13 0.08 -0.31 0.00 0.02 0.00 0.00 54.13 54.05 1nwp s LEU 73 Cb -0.07 0.06 -0.10 0.00 0.02 0.00 0.00 46.19 46.11 1nwp s LEU 73 CO 0.89 -0.08 1.50 -0.75 0.02 0.00 0.00 176.35 177.94 1nwp s LYS 74 N 0.59 4.24 0.16 1.70 2.20 -1.26 -4.84 119.74 122.54 1nwp s LYS 74 Ca -0.05 2.32 -0.32 0.00 -0.36 0.00 0.00 55.97 57.56 1nwp s LYS 74 Cb -0.07 -3.14 -0.10 0.00 -1.51 0.00 0.00 37.83 33.01 1nwp s LYS 74 CO -0.02 -0.52 1.60 0.34 -0.36 0.00 0.00 175.35 176.39 1nwp s ASP 75 N 0.80 6.56 -0.25 1.43 2.15 -1.26 -2.35 116.67 123.75 1nwp s ASP 75 Ca 0.65 2.64 0.00 0.00 0.43 0.00 0.00 52.55 56.27 1nwp s ASP 75 Cb -0.42 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.60 1nwp s ASP 75 CO 0.36 -0.85 0.00 0.61 -0.17 0.00 0.00 175.17 175.13 1nwp n GLY 76 N 3.81 0.57 3.64 2.66 0.00 -1.26 -4.95 105.19 109.65 1nwp n GLY 76 Ca 0.14 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 1nwp n GLY 76 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nwp s ASP 77 N -2.51 6.09 0.53 1.61 -1.08 -0.99 -4.85 116.67 115.47 1nwp s ASP 77 Ca 0.00 2.37 0.33 0.00 -0.52 0.00 0.00 52.55 54.72 1nwp s ASP 77 Cb 0.00 -2.52 1.27 0.00 -1.46 0.00 0.00 42.92 40.21 1nwp s ASP 77 CO 0.00 -1.39 1.95 0.00 0.52 0.00 0.00 175.17 176.25 1nwp h ALA 78 N 12.21 1.00 0.00 3.66 0.00 -1.92 -2.75 119.26 131.46 1nwp h ALA 78 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1nwp h ALA 78 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1nwp h ALA 78 CO 0.95 0.00 0.00 0.00 0.00 0.00 0.00 179.25 180.20 1nwp h ARG 79 N 0.00 0.00 -5.84 0.00 3.08 -1.98 -3.43 114.38 106.21 1nwp h ARG 79 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 1nwp h ARG 79 Cb 0.55 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.51 1nwp h ARG 79 CO 0.00 0.00 0.51 0.08 -1.07 0.00 0.00 179.97 179.49 1nwp s VAL 80 N -3.22 4.80 -0.05 2.04 1.01 -1.04 -4.40 120.40 119.54 1nwp s VAL 80 Ca 0.08 1.58 -0.16 0.00 0.00 0.00 0.00 61.98 63.47 1nwp s VAL 80 Cb 0.10 -4.15 -0.31 0.00 0.00 0.00 0.00 36.38 32.02 1nwp s VAL 80 CO 0.57 -0.12 0.75 0.40 0.00 0.00 0.00 175.10 176.69 1nwp h ILE 81 N 5.46 1.18 -2.55 2.22 2.04 -1.34 -3.49 117.51 121.03 1nwp h ILE 81 Ca -0.23 -2.51 -0.06 0.00 1.00 0.00 0.00 64.86 63.06 1nwp h ILE 81 Cb 1.09 2.91 -0.17 0.00 -0.74 0.00 0.00 36.82 39.91 1nwp h ILE 81 CO 0.89 0.76 0.10 0.00 0.00 0.00 0.00 178.15 179.90 1nwp s ALA 82 N -2.51 -1.50 -0.00 1.87 0.00 -1.21 -4.99 121.76 113.42 1nwp s ALA 82 Ca -0.15 0.82 -0.27 0.00 0.00 0.00 0.00 51.96 52.35 1nwp s ALA 82 Cb 0.04 0.32 0.06 0.00 0.00 0.00 0.00 23.12 23.54 1nwp s ALA 82 CO 0.83 -0.49 0.61 -3.38 0.00 0.00 0.00 175.76 173.34 1nwp s HIS 83 N -2.16 -0.57 0.67 0.00 -3.43 -1.26 -0.79 115.29 107.75 1nwp s HIS 83 Ca -0.07 0.84 -0.02 0.00 -0.80 0.00 0.00 55.06 55.01 1nwp s HIS 83 Cb -0.01 0.40 0.09 0.00 -1.43 0.00 0.00 32.58 31.62 1nwp s HIS 83 CO 0.01 -0.63 0.93 0.95 -2.00 0.00 0.00 174.74 174.00 1nwp s THR 84 N -1.78 2.34 0.86 -5.38 -4.23 -0.58 -4.79 115.64 102.08 1nwp s THR 84 Ca -0.08 -0.54 -0.11 0.00 -1.18 0.00 0.00 61.69 59.77 1nwp s THR 84 Cb -0.01 -2.80 0.11 0.00 1.34 0.00 0.00 72.50 71.14 1nwp s THR 84 CO 0.04 0.00 1.09 -0.54 -0.54 0.00 0.00 174.62 174.67 1nwp s LYS 85 N -5.05 1.54 -0.16 3.99 1.02 -1.26 -4.58 119.74 115.24 1nwp s LYS 85 Ca 0.62 0.92 -0.29 0.00 0.02 0.00 0.00 55.97 57.25 1nwp s LYS 85 Cb -0.08 -1.83 -0.01 0.00 -0.52 0.00 0.00 37.83 35.39 1nwp s LYS 85 CO 0.43 -2.07 1.19 0.08 -0.92 0.00 0.00 175.35 174.06 1nwp s VAL 86 N -2.92 4.39 0.17 3.17 1.01 -1.26 -4.25 120.40 120.71 1nwp s VAL 86 Ca 0.63 1.69 0.09 0.00 0.00 0.00 0.00 61.98 64.39 1nwp s VAL 86 Cb -0.18 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1nwp s VAL 86 CO 0.57 -0.12 -0.15 0.27 0.00 0.00 0.00 175.10 175.67 1nwp s ILE 87 N 3.19 2.93 0.30 2.22 -4.36 0.12 -4.87 121.20 120.74 1nwp s ILE 87 Ca 0.52 -1.72 0.02 0.00 -0.26 0.00 0.00 60.65 59.22 1nwp s ILE 87 Cb -0.20 -2.42 0.02 0.00 1.25 0.00 0.00 42.46 41.11 1nwp s ILE 87 CO 0.14 -0.07 0.18 0.61 0.24 0.00 0.00 174.94 176.04 1nwp n GLY 88 N 0.24 3.07 3.66 6.27 0.00 -1.26 -1.65 105.19 115.52 1nwp n GLY 88 Ca -0.12 -2.25 -0.46 0.00 0.00 0.00 0.00 46.02 43.18 1nwp n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nwp n ALA 89 N -2.31 1.18 -0.24 4.61 0.00 0.03 -1.75 120.51 122.04 1nwp n ALA 89 Ca -0.10 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1nwp n ALA 89 Cb 0.35 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.47 1nwp n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nwp n GLY 90 N 3.35 1.44 3.99 0.00 0.00 -0.59 -4.93 105.19 108.46 1nwp n GLY 90 Ca 0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 1nwp n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nwp s GLU 91 N -0.38 2.99 0.02 1.61 2.02 -0.72 -4.96 118.70 119.28 1nwp s GLU 91 Ca 0.00 -1.12 -0.13 0.00 0.02 0.00 0.00 54.97 53.74 1nwp s GLU 91 Cb 0.00 -2.78 0.02 0.00 0.10 0.00 0.00 34.13 31.46 1nwp s GLU 91 CO 0.00 -0.07 0.29 -1.59 0.02 0.00 0.00 175.26 173.90 1nwp s LYS 92 N -4.24 0.74 0.07 1.61 -2.85 -1.26 -2.94 119.74 110.86 1nwp s LYS 92 Ca 0.49 -0.41 -0.09 0.00 -1.00 0.00 0.00 55.97 54.95 1nwp s LYS 92 Cb -0.10 0.32 0.00 0.00 -2.06 0.00 0.00 37.83 35.99 1nwp s LYS 92 CO 0.32 -0.22 0.20 0.34 0.10 0.00 0.00 175.35 176.08 1nwp s ASP 93 N -1.80 0.08 0.03 0.03 2.15 -0.65 -5.00 116.67 111.51 1nwp s ASP 93 Ca -0.08 -0.55 -0.00 0.00 0.43 0.00 0.00 52.55 52.35 1nwp s ASP 93 Cb -0.03 0.33 -0.03 0.00 -0.30 0.00 0.00 42.92 42.89 1nwp s ASP 93 CO -0.01 -0.67 -0.03 -0.94 -0.17 0.00 0.00 175.17 173.35 1nwp s SER 94 N -2.59 0.37 0.00 -0.34 1.04 -1.26 -0.30 113.70 110.61 1nwp s SER 94 Ca 0.01 -0.63 0.02 0.00 0.48 0.00 0.00 55.95 55.83 1nwp s SER 94 Cb 0.03 0.12 -0.01 0.00 0.10 0.00 0.00 66.02 66.26 1nwp s SER 94 CO -0.09 -0.37 -0.06 0.54 0.98 0.00 0.00 173.24 174.25 1nwp s VAL 95 N -2.08 0.43 -0.10 5.02 0.11 -0.14 -4.92 120.40 118.71 1nwp s VAL 95 Ca -0.09 -0.32 0.04 0.00 -2.93 0.00 0.00 61.98 58.67 1nwp s VAL 95 Cb -0.05 -0.38 -0.00 0.00 -1.53 0.00 0.00 36.38 34.41 1nwp s VAL 95 CO -0.03 0.06 -0.23 -0.89 -3.33 0.00 0.00 175.10 170.68 1nwp s THR 96 N -0.26 2.13 0.13 5.04 2.01 -1.26 -0.85 115.64 122.58 1nwp s THR 96 Ca 0.01 -1.00 -0.00 0.00 0.31 0.00 0.00 61.69 61.01 1nwp s THR 96 Cb -0.03 -1.81 -0.04 0.00 0.01 0.00 0.00 72.50 70.62 1nwp s THR 96 CO -0.00 0.56 0.02 0.72 -0.69 0.00 0.00 174.62 175.23 1nwp s PHE 97 N 0.31 0.92 -0.19 4.92 -0.71 -0.25 -4.96 117.98 118.02 1nwp s PHE 97 Ca -0.18 -1.13 -0.29 0.00 -1.04 0.00 0.00 56.93 54.29 1nwp s PHE 97 Cb -0.18 -0.53 -0.01 0.00 -1.21 0.00 0.00 43.02 41.09 1nwp s PHE 97 CO 0.08 -0.39 1.19 -0.51 -1.34 0.00 0.00 175.22 174.25 1nwp s ASP 98 N -3.07 6.99 0.61 1.98 1.01 -1.26 -1.23 116.67 121.70 1nwp s ASP 98 Ca 0.21 1.57 0.35 0.00 0.71 0.00 0.00 52.55 55.39 1nwp s ASP 98 Cb 0.07 -2.54 2.00 0.00 1.01 0.00 0.00 42.92 43.46 1nwp s ASP 98 CO 0.00 -0.74 2.27 0.58 0.21 0.00 0.00 175.17 177.50 1nwp h VAL 99 N 5.49 0.32 0.00 -1.27 2.07 -1.66 -1.75 116.25 119.45 1nwp h VAL 99 Ca -0.24 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 1nwp h VAL 99 Cb 1.09 1.06 -0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1nwp h VAL 99 CO 0.98 0.01 -0.01 0.77 0.02 0.00 0.00 177.57 179.34 1nwp h SER 100 N 0.00 0.00 0.21 0.57 4.64 -1.87 -1.67 113.55 115.43 1nwp h SER 100 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1nwp h SER 100 Cb 0.06 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1nwp h SER 100 CO 0.00 0.01 -0.05 0.11 -0.87 0.00 0.00 176.83 176.03 1nwp h LYS 101 N 0.00 0.00 -5.84 4.77 1.57 -1.72 -3.39 116.57 111.96 1nwp h LYS 101 Ca -0.00 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.18 1nwp h LYS 101 Cb 0.03 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.22 1nwp h LYS 101 CO 0.00 0.05 0.72 -0.51 -0.57 0.00 0.00 179.45 179.14 1nwp s LEU 102 N -7.19 3.93 -0.01 2.94 1.02 -0.63 -5.00 118.68 113.75 1nwp s LEU 102 Ca -0.04 -0.66 -0.30 0.00 0.02 0.00 0.00 54.13 53.15 1nwp s LEU 102 Cb 0.14 -2.57 -0.07 0.00 0.02 0.00 0.00 46.19 43.71 1nwp s LEU 102 CO 0.54 -1.52 1.69 0.00 0.02 0.00 0.00 176.35 177.08 1nwp s ALA 103 N 4.57 3.63 0.31 4.21 0.00 -1.26 -4.96 121.76 128.26 1nwp s ALA 103 Ca 0.28 1.06 -0.29 0.00 0.00 0.00 0.00 51.96 53.01 1nwp s ALA 103 Cb -0.13 -3.74 -0.11 0.00 0.00 0.00 0.00 23.12 19.14 1nwp s ALA 103 CO 0.14 -1.32 1.53 0.00 0.00 0.00 0.00 175.76 176.10 1nwp s ALA 104 N 3.65 3.67 0.00 0.00 0.00 -1.26 -2.10 121.76 125.72 1nwp s ALA 104 Ca 0.75 1.51 0.00 0.00 0.00 0.00 0.00 51.96 54.23 1nwp s ALA 104 Cb -0.36 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.14 1nwp s ALA 104 CO 0.32 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.55 1nwp n GLY 105 N 1.69 0.87 3.74 0.00 0.00 -1.26 -5.04 105.19 105.20 1nwp n GLY 105 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 1nwp n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nwp s GLU 106 N -0.51 2.74 -0.19 1.61 2.56 -0.89 -5.10 118.70 118.92 1nwp s GLU 106 Ca 0.00 -0.81 -0.14 0.00 0.00 0.00 0.00 54.97 54.02 1nwp s GLU 106 Cb 0.00 -2.62 -0.04 0.00 2.00 0.00 0.00 34.13 33.47 1nwp s GLU 106 CO 0.00 0.53 0.31 0.15 -0.56 0.00 0.00 175.26 175.69 1nwp s LYS 107 N -2.56 4.20 0.07 4.30 -0.14 -1.26 -4.93 119.74 119.42 1nwp s LYS 107 Ca 0.28 0.08 0.09 0.00 -1.36 0.00 0.00 55.97 55.06 1nwp s LYS 107 Cb -0.11 -3.49 -0.03 0.00 -1.68 0.00 0.00 37.83 32.52 1nwp s LYS 107 CO 0.21 0.10 -0.24 0.71 -0.76 0.00 0.00 175.35 175.37 1nwp s TYR 108 N 0.89 2.07 0.14 3.18 2.02 -1.26 -0.92 117.35 123.46 1nwp s TYR 108 Ca 0.16 -0.39 -0.02 0.00 -0.37 0.00 0.00 57.07 56.44 1nwp s TYR 108 Cb -0.14 -1.19 -0.03 0.00 -0.40 0.00 0.00 41.96 40.19 1nwp s TYR 108 CO 0.05 0.17 0.10 0.20 -1.57 0.00 0.00 175.55 174.51 1nwp s GLY 109 N -1.51 0.94 0.15 0.71 0.00 -0.36 -0.27 107.32 106.98 1nwp s GLY 109 Ca 0.10 -1.39 0.09 0.00 0.00 0.00 0.00 44.72 43.52 1nwp s GLY 109 CO 0.03 -1.28 -0.21 -0.11 0.00 0.00 0.00 173.10 171.53 1nwp s PHE 110 N -4.04 1.97 0.27 1.90 -0.71 -0.29 -2.18 117.98 114.90 1nwp s PHE 110 Ca 0.24 -0.42 -0.18 0.00 -1.04 0.00 0.00 56.93 55.53 1nwp s PHE 110 Cb 0.07 -1.02 0.01 0.00 -1.21 0.00 0.00 43.02 40.87 1nwp s PHE 110 CO 0.02 0.33 0.64 -0.59 -1.34 0.00 0.00 175.22 174.28 1nwp s PHE 111 N -1.58 -0.01 -0.18 3.49 -0.71 -0.52 -0.72 117.98 117.75 1nwp s PHE 111 Ca 0.14 -0.42 -0.08 0.00 -1.04 0.00 0.00 56.93 55.53 1nwp s PHE 111 Cb -0.08 0.53 -0.04 0.00 -1.21 0.00 0.00 43.02 42.22 1nwp s PHE 111 CO 0.06 -1.15 0.09 0.00 -1.34 0.00 0.00 175.22 172.89 1nwp n SER 113 N 3.35 2.93 -4.73 0.00 3.41 -1.26 -3.36 113.62 113.96 1nwp n SER 113 Ca -0.17 -1.92 -0.42 0.00 -0.26 0.00 0.00 58.87 56.11 1nwp n SER 113 Cb 0.52 -0.19 -0.02 0.00 -0.26 0.00 0.00 64.21 64.26 1nwp n SER 113 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1nwp n PHE 114 N 1.16 2.78 -1.72 7.33 -0.00 -1.26 -4.77 117.46 120.98 1nwp n PHE 114 Ca 0.18 0.23 -0.63 0.00 -0.00 0.00 0.00 57.45 57.22 1nwp n PHE 114 Cb 0.53 -2.60 -0.09 0.00 -0.00 0.00 0.00 39.48 37.32 1nwp n PHE 114 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 1nwp n PRO 115 N 2.49 0.47 0.00 -7.13 -0.02 -1.26 -1.15 135.00 128.39 1nwp n PRO 115 Ca 0.10 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 1nwp n PRO 115 Cb 0.36 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 1nwp n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nwp n GLY 116 N 4.23 2.18 0.16 -1.23 0.00 -1.26 -4.89 105.19 104.38 1nwp n GLY 116 Ca 0.30 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.36 1nwp n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1nwp h HIS 117 N 0.00 0.00 -0.15 1.61 3.86 -1.39 -3.27 115.15 115.81 1nwp h HIS 117 Ca 0.00 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.25 1nwp h HIS 117 Cb 0.00 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 1nwp h HIS 117 CO 0.00 0.46 0.13 0.97 0.86 0.00 0.00 177.93 180.35 1nwp h ILE 118 N 0.00 0.70 -0.38 2.45 2.10 -1.74 0.22 117.51 120.85 1nwp h ILE 118 Ca -0.00 0.00 0.03 0.00 1.08 0.00 0.00 64.86 65.97 1nwp h ILE 118 Cb 1.10 0.90 -0.02 0.00 -1.09 0.00 0.00 36.82 37.71 1nwp h ILE 118 CO 0.06 0.00 0.26 0.77 -1.08 0.00 0.00 178.15 178.16 1nwp h SER 119 N 0.00 0.34 0.00 2.19 4.64 -1.92 -2.97 113.55 115.83 1nwp h SER 119 Ca 0.07 -0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.33 1nwp h SER 119 Cb 0.34 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 1nwp h SER 119 CO -0.00 0.24 -1.54 0.23 -0.87 0.00 0.00 176.83 174.88 1nwp n MET 120 N -4.48 1.03 -3.63 4.77 2.81 -0.40 -4.87 117.12 112.35 1nwp n MET 120 Ca 0.04 -0.07 -0.31 0.00 -1.81 0.00 0.00 57.70 55.56 1nwp n MET 120 Cb 0.16 -1.25 -0.09 0.00 -0.71 0.00 0.00 33.22 31.33 1nwp n MET 120 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1nwp n MET 121 N -2.03 2.43 -3.95 0.03 2.81 0.62 -4.78 117.12 112.25 1nwp n MET 121 Ca -0.07 -4.56 -0.09 0.00 -1.81 0.00 0.00 57.70 51.17 1nwp n MET 121 Cb 0.46 -2.32 -0.06 0.00 -0.71 0.00 0.00 33.22 30.59 1nwp n MET 121 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1nwp s LYS 122 N -1.87 1.37 0.15 0.03 -2.85 -1.26 -1.71 119.74 113.60 1nwp s LYS 122 Ca 0.31 -1.17 -0.19 0.00 -1.00 0.00 0.00 55.97 53.91 1nwp s LYS 122 Cb 0.02 0.44 0.07 0.00 -2.06 0.00 0.00 37.83 36.29 1nwp s LYS 122 CO -0.09 -0.55 0.92 0.41 0.10 0.00 0.00 175.35 176.14 1nwp n GLY 123 N -0.31 0.66 3.86 0.59 0.00 0.10 -4.86 105.19 105.22 1nwp n GLY 123 Ca -0.05 -1.11 -0.25 0.00 0.00 0.00 0.00 46.02 44.61 1nwp n GLY 123 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nwp s THR 124 N -2.12 4.78 -0.19 2.61 -4.23 -0.23 -1.13 115.64 115.13 1nwp s THR 124 Ca 0.20 -1.05 -0.02 0.00 -1.18 0.00 0.00 61.69 59.65 1nwp s THR 124 Cb -0.02 -3.50 -0.01 0.00 1.34 0.00 0.00 72.50 70.31 1nwp s THR 124 CO 0.04 -0.18 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.17 1nwp s VAL 125 N -1.86 3.19 -0.15 2.29 1.01 0.63 -1.14 120.40 124.36 1nwp s VAL 125 Ca 0.33 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.73 1nwp s VAL 125 Cb -0.10 -2.41 -0.00 0.00 0.00 0.00 0.00 36.38 33.87 1nwp s VAL 125 CO 0.26 0.47 -0.15 -0.89 0.00 0.00 0.00 175.10 174.79 1nwp s THR 126 N 1.08 2.74 -0.16 3.92 2.01 0.06 -4.32 115.64 120.97 1nwp s THR 126 Ca 0.00 -0.75 -0.21 0.00 0.31 0.00 0.00 61.69 61.05 1nwp s THR 126 Cb -0.15 -2.16 -0.03 0.00 0.01 0.00 0.00 72.50 70.18 1nwp s THR 126 CO -0.01 0.51 0.63 -0.76 -0.69 0.00 0.00 174.62 174.30 1nwp s LEU 127 N 0.78 4.20 0.00 4.42 1.43 -1.26 -0.58 118.68 127.67 1nwp s LEU 127 Ca -0.06 0.92 0.00 0.00 -1.03 0.00 0.00 54.13 53.96 1nwp s LEU 127 Cb -0.15 -2.92 0.00 0.00 0.03 0.00 0.00 46.19 43.15 1nwp s LEU 127 CO 0.01 -0.21 0.25 2.29 0.23 0.00 0.00 176.35 178.92