#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nwo s GLU 2 N 0.00 3.09 -0.45 0.00 8.01 -1.26 -4.95 118.70 123.15 1nwo s GLU 2 Ca 0.00 -1.05 0.04 0.00 0.01 0.00 0.00 54.97 53.97 1nwo s GLU 2 Cb 0.00 -4.18 0.44 0.00 -4.31 0.00 0.00 34.13 26.07 1nwo s GLU 2 CO 0.00 -1.42 1.37 0.00 0.01 0.00 0.00 175.26 175.22 1nwo s LYS 4 N -3.66 1.04 0.04 0.00 2.20 -1.26 -2.07 119.74 116.03 1nwo s LYS 4 Ca 0.52 0.03 -0.11 0.00 -0.36 0.00 0.00 55.97 56.05 1nwo s LYS 4 Cb 0.42 0.49 0.01 0.00 -1.51 0.00 0.00 37.83 37.24 1nwo s LYS 4 CO -0.08 -0.37 0.23 0.54 -0.36 0.00 0.00 175.35 175.31 1nwo s VAL 5 N -1.93 0.10 -0.15 4.02 0.11 -0.26 -4.94 120.40 117.33 1nwo s VAL 5 Ca -0.06 -0.80 0.02 0.00 -2.93 0.00 0.00 61.98 58.21 1nwo s VAL 5 Cb -0.00 -0.88 0.01 0.00 -1.53 0.00 0.00 36.38 33.98 1nwo s VAL 5 CO 0.02 -0.44 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.26 1nwo s THR 6 N -2.42 2.14 -0.08 5.04 2.01 -1.26 -0.15 115.64 120.92 1nwo s THR 6 Ca -0.06 -0.94 0.03 0.00 0.31 0.00 0.00 61.69 61.03 1nwo s THR 6 Cb -0.02 -1.87 -0.02 0.00 0.01 0.00 0.00 72.50 70.60 1nwo s THR 6 CO -0.03 0.54 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.58 1nwo s VAL 7 N 0.95 2.74 0.06 3.82 1.01 0.33 -4.96 120.40 124.36 1nwo s VAL 7 Ca -0.03 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.12 1nwo s VAL 7 Cb -0.15 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 1nwo s VAL 7 CO -0.05 0.56 0.24 -0.62 0.00 0.00 0.00 175.10 175.23 1nwo s ASP 8 N -0.17 6.39 0.10 3.32 2.15 -1.26 -1.27 116.67 125.94 1nwo s ASP 8 Ca -0.01 0.35 0.07 0.00 0.43 0.00 0.00 52.55 53.38 1nwo s ASP 8 Cb -0.14 -2.00 -0.03 0.00 -0.30 0.00 0.00 42.92 40.45 1nwo s ASP 8 CO 0.03 0.17 -0.17 -0.94 -0.17 0.00 0.00 175.17 174.09 1nwo s SER 9 N -2.38 2.13 0.34 -0.34 1.04 0.15 -1.20 113.70 113.44 1nwo s SER 9 Ca 0.35 -0.71 0.05 0.00 0.48 0.00 0.00 55.95 56.12 1nwo s SER 9 Cb -0.13 -0.09 -0.07 0.00 0.10 0.00 0.00 66.02 65.83 1nwo s SER 9 CO 0.26 -0.05 0.02 0.42 0.98 0.00 0.00 173.24 174.86 1nwo s THR 10 N -1.53 1.55 -0.41 2.02 -4.23 -0.82 -1.34 115.64 110.87 1nwo s THR 10 Ca 0.05 -2.03 0.26 0.00 -1.18 0.00 0.00 61.69 58.78 1nwo s THR 10 Cb -0.08 -2.78 0.28 0.00 1.34 0.00 0.00 72.50 71.26 1nwo s THR 10 CO 0.03 -0.07 1.76 0.44 -0.54 0.00 0.00 174.62 176.25 1nwo h ASP 11 N 2.05 0.00 -0.37 3.99 3.32 -1.91 -2.98 116.42 120.51 1nwo h ASP 11 Ca -0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1nwo h ASP 11 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1nwo h ASP 11 CO 0.72 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 178.24 1nwo n GLN 12 N -2.40 3.34 -3.44 3.56 3.00 -1.26 -4.93 117.38 115.25 1nwo n GLN 12 Ca 0.02 -1.97 -0.20 0.00 -0.01 0.00 0.00 57.00 54.84 1nwo n GLN 12 Cb 0.27 -1.93 0.04 0.00 0.00 0.00 0.00 30.24 28.63 1nwo n GLN 12 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.06 176.94 1nwo n MET 13 N 0.44 -1.59 -3.79 -1.09 1.56 -1.13 -5.02 117.12 106.51 1nwo n MET 13 Ca 0.17 0.79 -0.13 0.00 -0.27 0.00 0.00 57.70 58.27 1nwo n MET 13 Cb 0.81 -4.83 -0.09 0.00 2.15 0.00 0.00 33.22 31.26 1nwo n MET 13 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 1nwo s SER 14 N -3.32 -0.15 0.51 6.12 1.04 -1.26 -4.60 113.70 112.04 1nwo s SER 14 Ca 0.36 0.08 -0.05 0.00 0.48 0.00 0.00 55.95 56.82 1nwo s SER 14 Cb -0.09 0.32 -0.02 0.00 0.10 0.00 0.00 66.02 66.33 1nwo s SER 14 CO 0.81 -0.37 0.81 -0.36 0.98 0.00 0.00 173.24 175.10 1nwo s PHE 15 N -1.11 3.44 -1.88 5.02 0.08 -1.26 -1.95 117.98 120.32 1nwo s PHE 15 Ca -0.12 0.71 0.18 0.00 0.12 0.00 0.00 56.93 57.82 1nwo s PHE 15 Cb -0.05 -2.44 0.54 0.00 -0.57 0.00 0.00 43.02 40.50 1nwo s PHE 15 CO 0.03 -0.45 1.44 0.27 -0.10 0.00 0.00 175.22 176.41 1nwo n ASN 16 N -2.34 3.32 -4.06 1.36 6.94 -0.34 -4.89 115.26 115.24 1nwo n ASN 16 Ca 0.02 -2.06 -0.07 0.00 -0.02 0.00 0.00 54.58 52.45 1nwo n ASN 16 Cb 0.56 -0.42 -0.10 0.00 -2.36 0.00 0.00 39.78 37.47 1nwo n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1nwo s THR 17 N -1.30 0.21 -0.06 5.53 -1.32 -1.26 -4.95 115.64 112.49 1nwo s THR 17 Ca 0.40 -1.73 0.01 0.00 -1.21 0.00 0.00 61.69 59.15 1nwo s THR 17 Cb 0.22 -1.51 0.00 0.00 -1.51 0.00 0.00 72.50 69.70 1nwo s THR 17 CO 0.26 -0.94 0.50 0.29 -2.21 0.00 0.00 174.62 172.53 1nwo n LYS 18 N 0.08 -0.75 -3.69 7.08 5.02 -1.26 -4.85 118.16 119.78 1nwo n LYS 18 Ca -0.14 -0.52 -0.12 0.00 -2.02 0.00 0.00 58.31 55.52 1nwo n LYS 18 Cb 0.61 -1.00 -0.09 0.00 -0.02 0.00 0.00 35.03 34.53 1nwo n LYS 18 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1nwo s ASP 19 N -0.07 -0.57 -0.35 4.39 2.15 -1.26 -1.19 116.67 119.77 1nwo s ASP 19 Ca 0.01 1.03 -0.07 0.00 0.43 0.00 0.00 52.55 53.94 1nwo s ASP 19 Cb 0.00 0.98 0.04 0.00 -0.30 0.00 0.00 42.92 43.65 1nwo s ASP 19 CO 0.01 -0.19 0.14 -0.63 -0.17 0.00 0.00 175.17 174.33 1nwo s ILE 20 N 0.83 3.97 -0.06 4.11 1.01 0.75 -4.94 121.20 126.87 1nwo s ILE 20 Ca -0.05 -1.12 -0.25 0.00 0.00 0.00 0.00 60.65 59.23 1nwo s ILE 20 Cb -0.05 -3.27 -0.03 0.00 0.01 0.00 0.00 42.46 39.12 1nwo s ILE 20 CO -0.07 -0.23 0.78 0.00 0.00 0.00 0.00 174.94 175.43 1nwo s ALA 21 N 1.43 3.31 -0.16 9.38 0.00 -1.26 -0.21 121.76 134.24 1nwo s ALA 21 Ca -0.00 0.23 0.02 0.00 0.00 0.00 0.00 51.96 52.20 1nwo s ALA 21 Cb -0.20 -3.08 0.01 0.00 0.00 0.00 0.00 23.12 19.86 1nwo s ALA 21 CO 0.03 -0.19 -0.20 0.42 0.00 0.00 0.00 175.76 175.82 1nwo s ILE 22 N 0.99 2.16 -0.03 0.00 1.01 0.12 -4.92 121.20 120.52 1nwo s ILE 22 Ca 0.41 -0.93 -0.30 0.00 0.00 0.00 0.00 60.65 59.83 1nwo s ILE 22 Cb -0.18 -1.89 -0.03 0.00 0.01 0.00 0.00 42.46 40.37 1nwo s ILE 22 CO 0.20 0.54 1.05 -0.62 0.00 0.00 0.00 174.94 176.11 1nwo s ASP 23 N 1.01 7.24 0.64 3.58 -1.08 -1.26 -0.40 116.67 126.40 1nwo s ASP 23 Ca -0.02 1.70 0.36 0.00 -0.52 0.00 0.00 52.55 54.07 1nwo s ASP 23 Cb -0.15 -2.57 2.03 0.00 -1.46 0.00 0.00 42.92 40.78 1nwo s ASP 23 CO -0.06 -0.40 2.21 0.11 0.52 0.00 0.00 175.17 177.55 1nwo h LYS 24 N 6.99 0.00 0.00 4.34 1.57 -1.41 0.19 116.57 128.25 1nwo h LYS 24 Ca -0.37 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.39 1nwo h LYS 24 Cb 1.19 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.49 1nwo h LYS 24 CO 0.81 0.00 -0.11 0.66 -0.57 0.00 0.00 179.45 180.24 1nwo h SER 25 N 0.00 0.00 -2.84 0.86 4.64 -1.92 -3.42 113.55 110.87 1nwo h SER 25 Ca 0.02 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.76 1nwo h SER 25 Cb 0.24 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.30 1nwo h SER 25 CO -0.00 0.11 1.21 0.00 -0.87 0.00 0.00 176.83 177.28 1nwo h LYS 27 N 12.15 0.00 -3.16 0.00 2.10 -1.86 -3.41 116.57 122.39 1nwo h LYS 27 Ca -0.32 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.20 1nwo h LYS 27 Cb 1.15 0.00 -0.20 0.00 -0.90 0.00 0.00 32.23 32.28 1nwo h LYS 27 CO 1.04 0.00 -0.33 -0.08 -2.00 0.00 0.00 179.45 178.08 1nwo s THR 28 N -3.23 0.06 0.02 0.07 -1.32 -1.26 -3.13 115.64 106.85 1nwo s THR 28 Ca 0.08 -0.52 0.05 0.00 -1.21 0.00 0.00 61.69 60.08 1nwo s THR 28 Cb 0.10 -0.56 -0.02 0.00 -1.51 0.00 0.00 72.50 70.51 1nwo s THR 28 CO 0.55 -0.29 -0.15 0.12 -2.21 0.00 0.00 174.62 172.64 1nwo s PHE 29 N -1.32 1.35 -0.13 9.09 5.36 0.42 -4.84 117.98 127.90 1nwo s PHE 29 Ca -0.14 -0.32 0.01 0.00 -0.96 0.00 0.00 56.93 55.53 1nwo s PHE 29 Cb -0.06 -0.83 0.02 0.00 -0.34 0.00 0.00 43.02 41.81 1nwo s PHE 29 CO 0.03 0.02 -0.16 0.99 -1.46 0.00 0.00 175.22 174.65 1nwo s THR 30 N -0.65 1.61 -0.23 0.12 2.01 -0.88 -0.65 115.64 116.98 1nwo s THR 30 Ca 0.04 -0.68 -0.04 0.00 0.31 0.00 0.00 61.69 61.32 1nwo s THR 30 Cb -0.07 -1.49 -0.01 0.00 0.01 0.00 0.00 72.50 70.95 1nwo s THR 30 CO 0.01 0.46 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.68 1nwo s VAL 31 N 1.23 3.46 -0.16 3.82 1.01 -0.18 -1.10 120.40 128.47 1nwo s VAL 31 Ca -0.00 -0.51 -0.09 0.00 0.00 0.00 0.00 61.98 61.38 1nwo s VAL 31 Cb -0.14 -2.60 -0.05 0.00 0.00 0.00 0.00 36.38 33.59 1nwo s VAL 31 CO -0.07 0.38 0.14 -0.70 0.00 0.00 0.00 175.10 174.86 1nwo s GLU 32 N 1.48 3.84 -0.10 2.72 2.12 0.79 -1.47 118.70 128.09 1nwo s GLU 32 Ca 0.05 -0.16 0.03 0.00 0.36 0.00 0.00 54.97 55.25 1nwo s GLU 32 Cb -0.15 -3.31 -0.01 0.00 0.26 0.00 0.00 34.13 30.92 1nwo s GLU 32 CO -0.02 0.52 -0.20 -1.17 -0.54 0.00 0.00 175.26 173.85 1nwo s LEU 33 N -0.29 2.32 0.26 2.70 2.96 0.57 -0.51 118.68 126.68 1nwo s LEU 33 Ca 0.12 -0.45 0.09 0.00 -0.22 0.00 0.00 54.13 53.67 1nwo s LEU 33 Cb -0.12 -1.47 -0.05 0.00 0.50 0.00 0.00 46.19 45.05 1nwo s LEU 33 CO 0.01 0.20 -0.15 0.42 -1.32 0.00 0.00 176.35 175.51 1nwo s THR 34 N 0.14 2.04 -0.14 3.68 -4.23 -0.39 -1.79 115.64 114.95 1nwo s THR 34 Ca -0.11 -2.27 -0.01 0.00 -1.18 0.00 0.00 61.69 58.13 1nwo s THR 34 Cb -0.16 -2.26 0.03 0.00 1.34 0.00 0.00 72.50 71.46 1nwo s THR 34 CO 0.06 -0.44 -0.06 -2.28 -0.54 0.00 0.00 174.62 171.36 1nwo s HIS 35 N -2.78 1.52 0.58 3.99 2.46 -1.19 -0.67 115.29 119.20 1nwo s HIS 35 Ca 0.27 -0.86 0.04 0.00 0.47 0.00 0.00 55.06 54.98 1nwo s HIS 35 Cb -0.01 -1.24 0.07 0.00 -0.13 0.00 0.00 32.58 31.27 1nwo s HIS 35 CO 0.11 -0.55 0.80 -1.54 -2.47 0.00 0.00 174.74 171.09 1nwo s SER 36 N 1.70 5.04 0.00 9.88 1.04 -0.45 -2.16 113.70 128.75 1nwo s SER 36 Ca 0.03 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.05 1nwo s SER 36 Cb -0.14 -0.29 0.00 0.00 0.10 0.00 0.00 66.02 65.69 1nwo s SER 36 CO -0.08 -1.32 0.00 0.61 0.98 0.00 0.00 173.24 173.43 1nwo n GLY 37 N -2.36 -1.99 0.00 7.32 0.00 -1.26 -4.08 105.19 102.83 1nwo n GLY 37 Ca 0.12 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1nwo n GLY 37 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nwo n SER 38 N 0.73 0.67 -4.71 1.61 3.41 -1.26 -4.46 113.62 109.61 1nwo n SER 38 Ca 0.00 -1.10 -0.42 0.00 -0.26 0.00 0.00 58.87 57.09 1nwo n SER 38 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1nwo n SER 38 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1nwo s LEU 39 N -0.10 4.37 0.98 1.04 1.02 -1.26 -4.83 118.68 119.88 1nwo s LEU 39 Ca 0.00 1.73 -0.12 0.00 0.02 0.00 0.00 54.13 55.76 1nwo s LEU 39 Cb 0.00 -3.57 0.18 0.00 0.02 0.00 0.00 46.19 42.82 1nwo s LEU 39 CO 0.00 -0.31 1.08 -2.16 0.02 0.00 0.00 176.35 174.98 1nwo s PRO 40 N 1.06 0.59 0.50 1.29 0.04 -1.26 -1.80 135.00 135.41 1nwo s PRO 40 Ca 0.53 0.88 0.27 0.00 0.04 0.00 0.00 61.00 62.72 1nwo s PRO 40 Cb -0.23 -1.73 1.26 0.00 0.04 0.00 0.00 34.50 33.84 1nwo s PRO 40 CO 0.28 -2.72 1.97 1.57 0.04 0.00 0.00 177.00 178.14 1nwo h LYS 41 N -1.90 0.00 -0.00 4.56 2.10 -1.85 -1.81 116.57 117.67 1nwo h LYS 41 Ca -0.52 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.13 1nwo h LYS 41 Cb 1.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.63 1nwo h LYS 41 CO 0.52 0.15 -0.10 0.27 -2.00 0.00 0.00 179.45 178.29 1nwo n ASN 42 N -3.46 0.27 -0.04 7.07 6.94 -1.26 -1.24 115.26 123.54 1nwo n ASN 42 Ca -0.01 -0.25 -0.05 0.00 -0.02 0.00 0.00 54.58 54.25 1nwo n ASN 42 Cb 0.32 -0.17 -0.06 0.00 -2.36 0.00 0.00 39.78 37.51 1nwo n ASN 42 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 1nwo n VAL 43 N -1.19 0.57 -2.68 3.53 0.24 -0.91 -4.84 118.33 113.06 1nwo n VAL 43 Ca 0.12 -0.30 -0.08 0.00 -2.04 0.00 0.00 64.34 62.04 1nwo n VAL 43 Cb 0.28 -0.81 0.05 0.00 -1.47 0.00 0.00 33.84 31.89 1nwo n VAL 43 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 1nwo n MET 44 N -2.48 1.20 -2.14 7.34 0.00 -0.73 -5.05 117.12 115.26 1nwo n MET 44 Ca -0.15 -2.97 -0.33 0.00 -0.00 0.00 0.00 57.70 54.25 1nwo n MET 44 Cb 0.74 -1.02 0.00 0.00 0.00 0.00 0.00 33.22 32.94 1nwo n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1nwo s GLY 45 N -2.79 2.15 0.01 -5.12 0.00 -0.37 -4.74 107.32 96.46 1nwo s GLY 45 Ca 0.26 0.38 0.01 0.00 0.00 0.00 0.00 44.72 45.37 1nwo s GLY 45 CO 0.01 0.70 -0.05 0.30 0.00 0.00 0.00 173.10 174.06 1nwo s HIS 46 N -2.43 0.40 0.40 1.90 3.76 -0.39 -4.80 115.29 114.14 1nwo s HIS 46 Ca 0.63 -0.21 0.04 0.00 -0.15 0.00 0.00 55.06 55.37 1nwo s HIS 46 Cb -0.15 -0.25 -0.05 0.00 1.11 0.00 0.00 32.58 33.24 1nwo s HIS 46 CO 0.35 -0.04 0.05 0.54 -0.85 0.00 0.00 174.74 174.79 1nwo s ASN 47 N -0.57 3.19 -0.11 1.40 2.20 -1.26 -0.81 114.94 118.98 1nwo s ASN 47 Ca -0.03 -1.51 0.01 0.00 -0.94 0.00 0.00 52.86 50.39 1nwo s ASN 47 Cb -0.04 0.13 0.02 0.00 -2.00 0.00 0.00 41.25 39.35 1nwo s ASN 47 CO -0.00 -0.71 -0.14 -0.22 -2.94 0.00 0.00 177.10 173.09 1nwo s LEU 48 N -3.65 1.64 -0.07 3.54 0.20 -1.26 -4.18 118.68 114.90 1nwo s LEU 48 Ca 0.26 -0.40 0.05 0.00 0.69 0.00 0.00 54.13 54.73 1nwo s LEU 48 Cb 0.06 -1.03 -0.00 0.00 -0.43 0.00 0.00 46.19 44.79 1nwo s LEU 48 CO 0.13 -0.00 -0.23 -0.69 -0.29 0.00 0.00 176.35 175.27 1nwo s VAL 49 N 1.06 1.90 -0.17 1.68 1.01 0.50 -1.28 120.40 125.10 1nwo s VAL 49 Ca -0.06 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 60.92 1nwo s VAL 49 Cb -0.15 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 1nwo s VAL 49 CO -0.02 0.53 0.00 -0.63 0.00 0.00 0.00 175.10 174.98 1nwo s ILE 50 N 0.14 4.24 0.31 2.22 1.01 -0.03 -1.02 121.20 128.07 1nwo s ILE 50 Ca -0.11 -0.23 -0.14 0.00 0.00 0.00 0.00 60.65 60.17 1nwo s ILE 50 Cb -0.15 -2.89 0.02 0.00 0.01 0.00 0.00 42.46 39.45 1nwo s ILE 50 CO 0.06 0.48 0.61 -0.94 0.00 0.00 0.00 174.94 175.15 1nwo s SER 51 N 0.40 0.07 0.54 3.58 1.04 -0.80 -0.38 113.70 118.15 1nwo s SER 51 Ca -0.01 -1.01 -0.22 0.00 0.48 0.00 0.00 55.95 55.19 1nwo s SER 51 Cb -0.13 0.70 -0.05 0.00 0.10 0.00 0.00 66.02 66.63 1nwo s SER 51 CO 0.02 -1.36 1.37 -0.54 0.98 0.00 0.00 173.24 173.72 1nwo s LYS 52 N -3.40 3.19 0.32 4.02 1.02 -1.26 -0.32 119.74 123.31 1nwo s LYS 52 Ca 0.19 2.27 0.03 0.00 0.02 0.00 0.00 55.97 58.49 1nwo s LYS 52 Cb -0.03 -2.31 0.60 0.00 -0.52 0.00 0.00 37.83 35.58 1nwo s LYS 52 CO 0.11 -1.16 1.90 1.49 -0.92 0.00 0.00 175.35 176.78 1nwo h GLU 53 N 1.56 0.91 0.00 1.68 4.81 -1.45 -0.62 114.58 121.46 1nwo h GLU 53 Ca -0.51 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.66 1nwo h GLU 53 Cb 1.30 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 30.47 1nwo h GLU 53 CO 0.58 0.60 -0.03 0.00 -0.73 0.00 0.00 179.01 179.43 1nwo h ALA 54 N 1.54 1.47 -0.00 2.92 0.00 -1.91 -3.01 119.26 120.27 1nwo h ALA 54 Ca 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1nwo h ALA 54 Cb 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1nwo h ALA 54 CO -0.16 0.03 -0.73 -0.25 0.00 0.00 0.00 179.25 178.14 1nwo n ASP 55 N -3.80 1.06 0.11 0.00 8.00 -0.25 -4.54 116.55 117.13 1nwo n ASP 55 Ca -0.03 -0.90 -0.13 0.00 0.71 0.00 0.00 54.79 54.44 1nwo n ASP 55 Cb 0.11 0.67 -0.07 0.00 -0.02 0.00 0.00 41.12 41.81 1nwo n ASP 55 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 1nwo h MET 56 N 0.51 -0.21 -0.45 -1.24 2.86 -1.48 -0.13 114.93 114.80 1nwo h MET 56 Ca 0.00 0.01 -0.11 0.00 -2.06 0.00 0.00 59.70 57.55 1nwo h MET 56 Cb 0.54 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.24 1nwo h MET 56 CO 0.00 -0.14 -0.13 0.37 1.06 0.00 0.00 176.91 178.07 1nwo h GLN 57 N -0.22 0.88 -0.69 1.72 5.75 -1.81 -1.70 115.11 119.03 1nwo h GLN 57 Ca -0.01 -0.35 -0.05 0.00 -0.15 0.00 0.00 58.65 58.09 1nwo h GLN 57 Cb 0.18 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.66 1nwo h GLN 57 CO 0.01 0.99 0.24 -1.35 -2.65 0.00 0.00 178.83 176.07 1nwo h PRO 58 N 0.71 1.04 0.10 -2.39 0.11 -1.75 -0.76 132.00 129.06 1nwo h PRO 58 Ca 0.11 -0.19 0.01 0.00 0.11 0.00 0.00 66.00 66.03 1nwo h PRO 58 Cb 0.68 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.62 1nwo h PRO 58 CO 0.05 0.87 -0.11 0.82 -0.21 0.00 0.00 178.00 179.42 1nwo h ILE 59 N 1.01 0.75 -0.61 4.15 2.04 -0.92 -1.83 117.51 122.10 1nwo h ILE 59 Ca 0.23 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.14 1nwo h ILE 59 Cb 0.24 0.75 -0.05 0.00 -0.74 0.00 0.00 36.82 37.03 1nwo h ILE 59 CO -0.01 0.00 0.34 0.00 0.00 0.00 0.00 178.15 178.48 1nwo h ALA 60 N 0.65 0.81 -0.83 1.87 0.00 -1.03 0.18 119.26 120.91 1nwo h ALA 60 Ca 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1nwo h ALA 60 Cb 0.23 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1nwo h ALA 60 CO -0.04 0.03 0.50 1.15 0.00 0.00 0.00 179.25 180.89 1nwo h THR 61 N 0.65 1.23 -0.02 0.00 2.02 -1.01 -1.43 112.91 114.34 1nwo h THR 61 Ca 0.27 -0.50 -0.13 0.00 0.77 0.00 0.00 66.41 66.82 1nwo h THR 61 Cb 0.13 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.59 1nwo h THR 61 CO -0.16 0.24 -0.60 0.44 0.37 0.00 0.00 175.52 175.81 1nwo h ASP 62 N 1.14 0.10 -0.47 4.18 3.32 -0.45 -3.09 116.42 121.14 1nwo h ASP 62 Ca 0.30 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.26 1nwo h ASP 62 Cb -0.05 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 1nwo h ASP 62 CO -0.06 0.67 0.20 1.23 -1.72 0.00 0.00 179.24 179.57 1nwo h GLY 63 N 1.68 0.80 -0.58 2.75 0.00 0.39 -3.09 103.07 105.00 1nwo h GLY 63 Ca -0.01 -0.39 0.20 0.00 0.00 0.00 0.00 47.33 47.13 1nwo h GLY 63 CO 0.08 0.37 -0.02 1.41 0.00 0.00 0.00 176.54 178.39 1nwo h LEU 64 N 0.74 -0.44 -0.44 3.11 3.38 -1.33 0.13 115.31 120.46 1nwo h LEU 64 Ca 0.18 0.23 -0.02 0.00 0.09 0.00 0.00 57.88 58.35 1nwo h LEU 64 Cb 0.15 0.41 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 1nwo h LEU 64 CO -0.02 -0.24 -0.10 0.28 0.09 0.00 0.00 178.44 178.45 1nwo h SER 65 N 0.07 0.00 0.78 -0.43 0.02 -1.73 -3.29 113.55 108.97 1nwo h SER 65 Ca 0.47 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.30 1nwo h SER 65 Cb 0.86 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.38 1nwo h SER 65 CO -0.77 0.10 -0.54 0.00 -1.14 0.00 0.00 176.83 174.48 1nwo h ALA 66 N 1.90 0.93 0.00 3.77 0.00 -0.79 -3.49 119.26 121.58 1nwo h ALA 66 Ca -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1nwo h ALA 66 Cb 0.92 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1nwo h ALA 66 CO 0.01 0.68 0.00 0.41 0.00 0.00 0.00 179.25 180.35 1nwo n GLY 67 N 0.37 -1.64 0.29 0.00 0.00 -1.19 -4.12 105.19 98.90 1nwo n GLY 67 Ca -0.01 -1.55 0.18 0.00 0.00 0.00 0.00 46.02 44.64 1nwo n GLY 67 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1nwo h ILE 68 N 0.00 0.13 0.00 -0.61 2.10 -1.92 -0.39 117.51 116.82 1nwo h ILE 68 Ca 0.00 -0.42 -0.07 0.00 1.08 0.00 0.00 64.86 65.45 1nwo h ILE 68 Cb 0.00 1.37 -0.01 0.00 -1.09 0.00 0.00 36.82 37.09 1nwo h ILE 68 CO 0.00 0.03 -0.33 0.44 -1.08 0.00 0.00 178.15 177.22 1nwo h ASP 69 N 0.00 0.00 -0.62 2.19 3.32 -2.01 -2.09 116.42 117.21 1nwo h ASP 69 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1nwo h ASP 69 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1nwo h ASP 69 CO 0.00 0.33 0.00 0.29 -1.72 0.00 0.00 179.24 178.14 1nwo n LYS 70 N -3.68 4.05 -2.46 3.56 4.76 -0.68 -4.92 118.16 118.79 1nwo n LYS 70 Ca -0.01 -2.91 -0.20 0.00 -2.87 0.00 0.00 58.31 52.32 1nwo n LYS 70 Cb 0.43 -2.01 -0.01 0.00 -1.84 0.00 0.00 35.03 31.61 1nwo n LYS 70 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1nwo n GLN 71 N 0.97 -1.99 -3.87 1.97 1.13 -0.78 -2.33 117.38 112.48 1nwo n GLN 71 Ca 0.26 0.97 -0.27 0.00 -1.94 0.00 0.00 57.00 56.01 1nwo n GLN 71 Cb 0.98 -5.65 0.02 0.00 0.11 0.00 0.00 30.24 25.70 1nwo n GLN 71 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1nwo n TYR 72 N -4.00 -2.12 -3.76 1.08 4.01 -0.24 -4.75 117.16 107.38 1nwo n TYR 72 Ca -0.23 0.87 -0.15 0.00 -0.16 0.00 0.00 57.90 58.24 1nwo n TYR 72 Cb 0.68 -4.05 -0.16 0.00 -0.31 0.00 0.00 39.34 35.51 1nwo n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1nwo s LEU 73 N -7.08 0.95 0.19 7.72 1.02 -0.99 -4.24 118.68 116.26 1nwo s LEU 73 Ca 0.42 0.12 -0.33 0.00 0.02 0.00 0.00 54.13 54.36 1nwo s LEU 73 Cb -0.21 0.05 -0.13 0.00 0.02 0.00 0.00 46.19 45.92 1nwo s LEU 73 CO 0.83 -0.14 1.61 1.17 0.02 0.00 0.00 176.35 179.85 1nwo n LYS 74 N 4.21 2.39 -1.87 1.70 4.81 -1.26 -4.82 118.16 123.33 1nwo n LYS 74 Ca -0.27 0.86 -0.42 0.00 -0.87 0.00 0.00 58.31 57.61 1nwo n LYS 74 Cb 0.50 -2.65 -0.02 0.00 0.02 0.00 0.00 35.03 32.89 1nwo n LYS 74 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1nwo s ASP 75 N 0.91 6.49 -1.38 3.14 2.15 -1.26 -2.28 116.67 124.45 1nwo s ASP 75 Ca 0.76 2.81 0.00 0.00 0.43 0.00 0.00 52.55 56.54 1nwo s ASP 75 Cb -0.60 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 39.39 1nwo s ASP 75 CO 0.38 -0.84 0.00 0.61 -0.17 0.00 0.00 175.17 175.15 1nwo n GLY 76 N 2.52 1.14 3.67 2.66 0.00 -1.26 -4.91 105.19 109.02 1nwo n GLY 76 Ca 0.09 -0.38 -0.45 0.00 0.00 0.00 0.00 46.02 45.28 1nwo n GLY 76 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nwo n ASP 77 N -0.24 3.83 0.25 1.61 -0.08 -0.96 -4.84 116.55 116.12 1nwo n ASP 77 Ca -0.14 0.95 0.16 0.00 -1.51 0.00 0.00 54.79 54.25 1nwo n ASP 77 Cb 0.47 -1.46 0.64 0.00 2.34 0.00 0.00 41.12 43.11 1nwo n ASP 77 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1nwo h ALA 78 N 9.62 1.00 0.00 -1.67 0.00 -1.91 -2.88 119.26 123.42 1nwo h ALA 78 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1nwo h ALA 78 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1nwo h ALA 78 CO 0.94 0.00 -0.16 0.54 0.00 0.00 0.00 179.25 180.57 1nwo n ARG 79 N -2.96 0.02 -3.11 0.00 1.74 -1.26 -4.81 116.66 106.28 1nwo n ARG 79 Ca 0.01 0.01 -0.41 0.00 -0.77 0.00 0.00 57.85 56.69 1nwo n ARG 79 Cb 0.30 -1.52 -0.07 0.00 -1.02 0.00 0.00 32.46 30.16 1nwo n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1nwo s VAL 80 N -3.01 4.91 0.05 1.55 1.01 -1.09 -4.42 120.40 119.41 1nwo s VAL 80 Ca 0.13 0.72 -0.17 0.00 0.00 0.00 0.00 61.98 62.66 1nwo s VAL 80 Cb 0.18 -4.04 -0.17 0.00 0.00 0.00 0.00 36.38 32.35 1nwo s VAL 80 CO 0.59 -0.23 1.25 0.40 0.00 0.00 0.00 175.10 177.11 1nwo h ILE 81 N 5.61 1.35 -1.93 2.22 1.08 -1.03 -3.48 117.51 121.33 1nwo h ILE 81 Ca -0.27 -1.82 0.09 0.00 -0.39 0.00 0.00 64.86 62.48 1nwo h ILE 81 Cb 1.11 2.12 -0.19 0.00 -3.07 0.00 0.00 36.82 36.80 1nwo h ILE 81 CO 0.82 0.55 0.51 0.00 -0.69 0.00 0.00 178.15 179.34 1nwo s ALA 82 N -3.74 -1.88 0.01 1.87 0.00 -1.20 -5.00 121.76 111.82 1nwo s ALA 82 Ca -0.12 1.30 -0.27 0.00 0.00 0.00 0.00 51.96 52.86 1nwo s ALA 82 Cb 0.06 -0.11 0.06 0.00 0.00 0.00 0.00 23.12 23.13 1nwo s ALA 82 CO 0.84 -0.50 0.62 -3.38 0.00 0.00 0.00 175.76 173.33 1nwo s HIS 83 N -2.12 -0.57 0.57 0.00 -3.43 -1.26 -0.85 115.29 107.63 1nwo s HIS 83 Ca 0.01 0.80 0.01 0.00 -0.80 0.00 0.00 55.06 55.09 1nwo s HIS 83 Cb -0.01 0.42 0.05 0.00 -1.43 0.00 0.00 32.58 31.61 1nwo s HIS 83 CO -0.03 -0.66 0.80 0.95 -2.00 0.00 0.00 174.74 173.80 1nwo s THR 84 N -1.98 2.59 0.96 -5.38 -4.23 -0.40 -4.81 115.64 102.39 1nwo s THR 84 Ca -0.07 -0.68 -0.11 0.00 -1.18 0.00 0.00 61.69 59.65 1nwo s THR 84 Cb -0.01 -2.91 0.17 0.00 1.34 0.00 0.00 72.50 71.09 1nwo s THR 84 CO 0.03 0.00 1.11 -0.54 -0.54 0.00 0.00 174.62 174.67 1nwo s LYS 85 N -4.80 0.66 -0.16 3.99 1.02 -1.26 -4.54 119.74 114.66 1nwo s LYS 85 Ca 0.59 1.26 -0.29 0.00 0.02 0.00 0.00 55.97 57.54 1nwo s LYS 85 Cb -0.10 -1.71 -0.01 0.00 -0.52 0.00 0.00 37.83 35.50 1nwo s LYS 85 CO 0.39 -2.78 1.16 0.08 -0.92 0.00 0.00 175.35 173.28 1nwo s VAL 86 N -2.66 4.45 0.12 3.17 1.01 -1.26 -4.31 120.40 120.91 1nwo s VAL 86 Ca 0.66 1.75 0.10 0.00 0.00 0.00 0.00 61.98 64.49 1nwo s VAL 86 Cb -0.22 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 1nwo s VAL 86 CO 0.59 -0.11 -0.22 0.27 0.00 0.00 0.00 175.10 175.63 1nwo s ILE 87 N 3.05 2.60 0.25 2.22 -4.36 0.01 -4.88 121.20 120.08 1nwo s ILE 87 Ca 0.51 -1.58 0.03 0.00 -0.26 0.00 0.00 60.65 59.35 1nwo s ILE 87 Cb -0.20 -2.17 0.03 0.00 1.25 0.00 0.00 42.46 41.37 1nwo s ILE 87 CO 0.14 0.11 0.24 0.61 0.24 0.00 0.00 174.94 176.28 1nwo n GLY 88 N 0.90 2.60 3.63 6.27 0.00 -1.26 -1.26 105.19 116.07 1nwo n GLY 88 Ca -0.17 -2.21 -0.51 0.00 0.00 0.00 0.00 46.02 43.13 1nwo n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nwo n ALA 89 N -2.56 -0.30 0.00 4.61 0.00 -0.74 -1.63 120.51 119.89 1nwo n ALA 89 Ca -0.07 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1nwo n ALA 89 Cb 0.28 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.55 1nwo n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nwo n GLY 90 N 3.05 2.41 3.95 0.00 0.00 -0.92 -4.96 105.19 108.71 1nwo n GLY 90 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 1nwo n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nwo s GLU 91 N -0.70 2.94 0.02 1.61 2.02 -0.65 -4.93 118.70 119.01 1nwo s GLU 91 Ca 0.00 -0.40 -0.02 0.00 0.02 0.00 0.00 54.97 54.56 1nwo s GLU 91 Cb 0.00 -2.47 -0.01 0.00 0.10 0.00 0.00 34.13 31.75 1nwo s GLU 91 CO 0.00 -0.46 0.03 0.15 0.02 0.00 0.00 175.26 175.00 1nwo s LYS 92 N -4.71 0.38 0.08 1.61 1.02 -1.26 -3.18 119.74 113.68 1nwo s LYS 92 Ca 0.51 -0.55 -0.12 0.00 0.02 0.00 0.00 55.97 55.83 1nwo s LYS 92 Cb -0.10 0.14 0.01 0.00 -0.52 0.00 0.00 37.83 37.36 1nwo s LYS 92 CO 0.40 -0.07 0.26 0.34 -0.92 0.00 0.00 175.35 175.36 1nwo s ASP 93 N -1.47 -0.02 0.04 2.83 2.15 -0.74 -5.02 116.67 114.43 1nwo s ASP 93 Ca -0.15 -0.42 -0.02 0.00 0.43 0.00 0.00 52.55 52.39 1nwo s ASP 93 Cb -0.09 0.36 -0.03 0.00 -0.30 0.00 0.00 42.92 42.87 1nwo s ASP 93 CO -0.00 -0.69 0.00 -0.94 -0.17 0.00 0.00 175.17 173.36 1nwo s SER 94 N -2.51 0.32 -0.03 -0.34 1.04 -1.26 -0.31 113.70 110.60 1nwo s SER 94 Ca 0.00 -0.70 -0.01 0.00 0.48 0.00 0.00 55.95 55.73 1nwo s SER 94 Cb 0.02 0.17 0.03 0.00 0.10 0.00 0.00 66.02 66.34 1nwo s SER 94 CO -0.08 -0.46 0.05 0.54 0.98 0.00 0.00 173.24 174.26 1nwo s VAL 95 N -2.67 -0.07 -0.09 5.02 0.11 -0.54 -4.93 120.40 117.22 1nwo s VAL 95 Ca -0.05 0.26 -0.04 0.00 -2.93 0.00 0.00 61.98 59.23 1nwo s VAL 95 Cb -0.01 -0.11 -0.04 0.00 -1.53 0.00 0.00 36.38 34.70 1nwo s VAL 95 CO -0.05 0.11 0.06 -0.89 -3.33 0.00 0.00 175.10 170.99 1nwo s THR 96 N 1.33 4.76 0.08 5.04 2.01 -1.26 -1.01 115.64 126.60 1nwo s THR 96 Ca -0.06 -0.09 -0.06 0.00 0.31 0.00 0.00 61.69 61.79 1nwo s THR 96 Cb -0.13 -3.04 -0.02 0.00 0.01 0.00 0.00 72.50 69.32 1nwo s THR 96 CO -0.03 0.60 0.11 0.72 -0.69 0.00 0.00 174.62 175.33 1nwo s PHE 97 N -0.96 0.32 -0.03 4.92 -0.71 0.18 -4.96 117.98 116.74 1nwo s PHE 97 Ca 0.14 -0.78 -0.30 0.00 -1.04 0.00 0.00 56.93 54.95 1nwo s PHE 97 Cb -0.12 -0.19 -0.04 0.00 -1.21 0.00 0.00 43.02 41.47 1nwo s PHE 97 CO 0.04 -0.50 1.16 -0.51 -1.34 0.00 0.00 175.22 174.07 1nwo s ASP 98 N -2.89 7.10 0.35 1.98 1.01 -1.26 -0.44 116.67 122.51 1nwo s ASP 98 Ca 0.07 1.82 0.27 0.00 0.71 0.00 0.00 52.55 55.42 1nwo s ASP 98 Cb 0.06 -2.56 1.07 0.00 1.01 0.00 0.00 42.92 42.50 1nwo s ASP 98 CO -0.10 -0.52 1.79 0.58 0.21 0.00 0.00 175.17 177.14 1nwo h VAL 99 N 4.89 0.00 -0.10 -1.27 2.07 -1.78 -2.30 116.25 117.76 1nwo h VAL 99 Ca -0.36 -0.34 0.03 0.00 0.82 0.00 0.00 66.70 66.84 1nwo h VAL 99 Cb 1.18 1.17 -0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1nwo h VAL 99 CO 0.85 0.00 0.09 0.77 0.02 0.00 0.00 177.57 179.31 1nwo h SER 100 N 0.00 0.00 0.78 0.57 4.64 -1.88 -1.78 113.55 115.88 1nwo h SER 100 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1nwo h SER 100 Cb 0.44 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1nwo h SER 100 CO 0.00 0.00 -0.07 0.11 -0.87 0.00 0.00 176.83 176.00 1nwo h LYS 101 N 0.00 0.00 -6.06 4.77 1.57 -1.82 -3.41 116.57 111.63 1nwo h LYS 101 Ca 0.05 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.23 1nwo h LYS 101 Cb 0.24 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.44 1nwo h LYS 101 CO -0.00 0.07 0.70 -0.51 -0.57 0.00 0.00 179.45 179.14 1nwo s LEU 102 N -6.48 3.90 0.03 2.94 1.43 -0.67 -4.99 118.68 114.84 1nwo s LEU 102 Ca -0.00 -0.26 -0.30 0.00 -1.03 0.00 0.00 54.13 52.53 1nwo s LEU 102 Cb 0.10 -2.89 -0.07 0.00 0.03 0.00 0.00 46.19 43.37 1nwo s LEU 102 CO 0.55 -1.34 1.55 0.00 0.23 0.00 0.00 176.35 177.35 1nwo s ALA 103 N 4.31 3.64 0.23 4.21 0.00 -1.26 -4.96 121.76 127.93 1nwo s ALA 103 Ca 0.34 1.05 -0.32 0.00 0.00 0.00 0.00 51.96 53.03 1nwo s ALA 103 Cb -0.11 -3.66 -0.13 0.00 0.00 0.00 0.00 23.12 19.22 1nwo s ALA 103 CO 0.20 -1.05 1.50 0.00 0.00 0.00 0.00 175.76 176.41 1nwo n ALA 104 N 5.63 1.51 0.00 0.00 0.00 -1.26 -1.97 120.51 124.43 1nwo n ALA 104 Ca 0.15 0.41 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1nwo n ALA 104 Cb 0.42 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.53 1nwo n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nwo n GLY 105 N 2.56 3.05 3.88 0.00 0.00 -1.26 -5.03 105.19 108.39 1nwo n GLY 105 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1nwo n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nwo s GLU 106 N -0.67 3.67 -0.15 1.61 2.56 -0.83 -5.07 118.70 119.82 1nwo s GLU 106 Ca 0.00 0.48 -0.06 0.00 0.00 0.00 0.00 54.97 55.39 1nwo s GLU 106 Cb 0.00 -2.29 -0.04 0.00 2.00 0.00 0.00 34.13 33.80 1nwo s GLU 106 CO 0.00 -0.25 0.06 0.15 -0.56 0.00 0.00 175.26 174.66 1nwo s LYS 107 N -4.51 3.67 0.23 4.30 1.02 -1.26 -4.97 119.74 118.21 1nwo s LYS 107 Ca 0.51 -0.33 0.08 0.00 0.02 0.00 0.00 55.97 56.26 1nwo s LYS 107 Cb -0.10 -3.11 -0.05 0.00 -0.52 0.00 0.00 37.83 34.05 1nwo s LYS 107 CO 0.42 0.45 -0.14 0.71 -0.92 0.00 0.00 175.35 175.87 1nwo s TYR 108 N -0.14 1.82 0.17 3.18 2.02 -1.26 -1.31 117.35 121.84 1nwo s TYR 108 Ca 0.07 -0.56 -0.14 0.00 -0.37 0.00 0.00 57.07 56.07 1nwo s TYR 108 Cb -0.12 -0.86 0.02 0.00 -0.40 0.00 0.00 41.96 40.59 1nwo s TYR 108 CO 0.01 0.40 0.42 0.20 -1.57 0.00 0.00 175.55 175.01 1nwo s GLY 109 N -3.36 0.08 0.07 0.71 0.00 0.56 -2.80 107.32 102.57 1nwo s GLY 109 Ca 0.24 -0.43 0.10 0.00 0.00 0.00 0.00 44.72 44.63 1nwo s GLY 109 CO 0.09 -0.47 -0.26 -0.11 0.00 0.00 0.00 173.10 172.35 1nwo s PHE 110 N -3.90 2.28 0.25 1.90 -0.12 -0.49 -1.90 117.98 116.00 1nwo s PHE 110 Ca 0.11 -0.40 -0.12 0.00 -0.05 0.00 0.00 56.93 56.47 1nwo s PHE 110 Cb 0.01 -1.33 -0.01 0.00 -0.63 0.00 0.00 43.02 41.06 1nwo s PHE 110 CO -0.03 0.17 0.46 -0.59 -0.05 0.00 0.00 175.22 175.18 1nwo s PHE 111 N -0.87 0.44 -0.17 3.49 -0.71 -0.18 -0.90 117.98 119.08 1nwo s PHE 111 Ca 0.12 -0.79 -0.06 0.00 -1.04 0.00 0.00 56.93 55.15 1nwo s PHE 111 Cb -0.10 0.13 -0.04 0.00 -1.21 0.00 0.00 43.02 41.80 1nwo s PHE 111 CO 0.03 -0.98 0.04 0.00 -1.34 0.00 0.00 175.22 172.97 1nwo n SER 113 N 3.34 2.89 -4.74 0.00 3.41 -1.26 -3.46 113.62 113.80 1nwo n SER 113 Ca -0.17 -1.91 -0.42 0.00 -0.26 0.00 0.00 58.87 56.11 1nwo n SER 113 Cb 0.52 -0.14 -0.02 0.00 -0.26 0.00 0.00 64.21 64.31 1nwo n SER 113 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1nwo s PHE 114 N -1.72 2.85 -0.41 7.33 2.19 -1.26 -4.76 117.98 122.20 1nwo s PHE 114 Ca 0.35 0.61 -0.44 0.00 0.33 0.00 0.00 56.93 57.79 1nwo s PHE 114 Cb 0.21 -4.07 -0.18 0.00 -1.31 0.00 0.00 43.02 37.67 1nwo s PHE 114 CO 0.30 -3.81 1.75 -2.30 1.83 0.00 0.00 175.22 172.99 1nwo n PRO 115 N 3.01 0.48 -0.25 10.12 -0.02 -1.26 -1.10 135.00 145.98 1nwo n PRO 115 Ca 0.11 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1nwo n PRO 115 Cb 0.37 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 1nwo n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nwo n GLY 116 N 4.65 1.48 0.10 -1.23 0.00 -1.26 -4.89 105.19 104.03 1nwo n GLY 116 Ca 0.33 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.32 1nwo n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1nwo h HIS 117 N 0.00 0.00 -0.93 1.61 3.86 -1.37 -3.38 115.15 114.94 1nwo h HIS 117 Ca 0.00 0.00 0.14 0.00 -1.16 0.00 0.00 60.37 59.35 1nwo h HIS 117 Cb 0.00 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 28.39 1nwo h HIS 117 CO 0.00 0.76 0.59 0.97 0.86 0.00 0.00 177.93 181.12 1nwo h ILE 118 N 0.00 0.86 -0.13 2.45 2.10 -1.76 0.52 117.51 121.55 1nwo h ILE 118 Ca -0.01 -0.27 -0.00 0.00 1.08 0.00 0.00 64.86 65.65 1nwo h ILE 118 Cb 1.59 -0.00 -0.01 0.00 -1.09 0.00 0.00 36.82 37.31 1nwo h ILE 118 CO 0.10 0.14 0.08 0.77 -1.08 0.00 0.00 178.15 178.16 1nwo h SER 119 N 0.79 0.16 0.38 2.19 4.64 -1.92 -2.45 113.55 117.34 1nwo h SER 119 Ca 0.47 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.75 1nwo h SER 119 Cb 0.64 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.69 1nwo h SER 119 CO -0.23 0.13 -1.65 0.23 -0.87 0.00 0.00 176.83 174.44 1nwo n MET 120 N -4.50 0.64 -3.45 4.77 2.81 0.06 -4.75 117.12 112.71 1nwo n MET 120 Ca -0.01 -0.06 -0.26 0.00 -1.81 0.00 0.00 57.70 55.56 1nwo n MET 120 Cb 0.09 -1.64 -0.09 0.00 -0.71 0.00 0.00 33.22 30.87 1nwo n MET 120 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1nwo n MET 121 N -2.46 1.31 -3.76 0.03 2.81 -0.55 -4.69 117.12 109.80 1nwo n MET 121 Ca -0.04 -3.86 -0.11 0.00 -1.81 0.00 0.00 57.70 51.87 1nwo n MET 121 Cb 0.61 -1.82 -0.07 0.00 -0.71 0.00 0.00 33.22 31.22 1nwo n MET 121 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1nwo s LYS 122 N -1.30 0.82 0.11 0.03 -2.85 -1.25 -1.94 119.74 113.35 1nwo s LYS 122 Ca 0.34 -0.54 -0.03 0.00 -1.00 0.00 0.00 55.97 54.75 1nwo s LYS 122 Cb 0.09 0.35 0.01 0.00 -2.06 0.00 0.00 37.83 36.22 1nwo s LYS 122 CO -0.12 -0.26 0.19 0.41 0.10 0.00 0.00 175.35 175.67 1nwo n GLY 123 N 0.53 2.24 3.74 0.59 0.00 -0.08 -4.90 105.19 107.31 1nwo n GLY 123 Ca -0.18 -1.26 -0.28 0.00 0.00 0.00 0.00 46.02 44.29 1nwo n GLY 123 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nwo s THR 124 N -2.64 4.25 -0.17 2.61 -4.23 -0.33 -1.40 115.64 113.72 1nwo s THR 124 Ca 0.07 -1.04 -0.01 0.00 -1.18 0.00 0.00 61.69 59.52 1nwo s THR 124 Cb -0.01 -3.10 -0.01 0.00 1.34 0.00 0.00 72.50 70.73 1nwo s THR 124 CO 0.05 0.01 -0.11 0.68 -0.54 0.00 0.00 174.62 174.71 1nwo s VAL 125 N -1.55 3.00 -0.28 2.29 -7.23 -1.12 -0.18 120.40 115.34 1nwo s VAL 125 Ca 0.29 -0.65 -0.09 0.00 -1.81 0.00 0.00 61.98 59.72 1nwo s VAL 125 Cb -0.11 -2.30 -0.02 0.00 0.56 0.00 0.00 36.38 34.50 1nwo s VAL 125 CO 0.21 0.49 0.12 -0.89 -0.31 0.00 0.00 175.10 174.72 1nwo s THR 126 N 0.95 4.58 -0.40 5.32 2.01 0.70 -4.44 115.64 124.36 1nwo s THR 126 Ca -0.02 -0.21 -0.23 0.00 0.31 0.00 0.00 61.69 61.54 1nwo s THR 126 Cb -0.15 -3.22 0.02 0.00 0.01 0.00 0.00 72.50 69.16 1nwo s THR 126 CO -0.01 0.23 0.81 -0.22 -0.69 0.00 0.00 174.62 174.73 1nwo s LEU 127 N 1.64 4.15 0.00 4.42 2.96 -1.26 0.11 118.68 130.70 1nwo s LEU 127 Ca 0.06 0.20 0.00 0.00 -0.22 0.00 0.00 54.13 54.17 1nwo s LEU 127 Cb -0.16 -3.04 0.00 0.00 0.50 0.00 0.00 46.19 43.49 1nwo s LEU 127 CO 0.06 -0.83 0.12 2.29 -1.32 0.00 0.00 176.35 176.67