#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nx3 s PHE 4 N 0.00 2.68 -0.15 2.13 5.36 -1.25 -4.70 117.98 122.05 2nx3 s PHE 4 Ca 0.00 1.46 -0.07 0.00 -0.96 0.00 0.00 56.93 57.36 2nx3 s PHE 4 Cb 0.00 -3.57 -0.04 0.00 -0.34 0.00 0.00 43.02 39.07 2nx3 s PHE 4 CO 0.00 -2.05 0.10 -1.17 -1.46 0.00 0.00 175.22 170.64 2nx3 s LEU 5 N -3.06 4.10 -0.24 6.12 2.96 -0.87 -1.25 118.68 126.43 2nx3 s LEU 5 Ca 0.65 0.28 0.01 0.00 -0.22 0.00 0.00 54.13 54.84 2nx3 s LEU 5 Cb -0.34 -2.01 0.06 0.00 0.50 0.00 0.00 46.19 44.40 2nx3 s LEU 5 CO 0.42 0.30 -0.06 -0.69 -1.32 0.00 0.00 176.35 175.00 2nx3 s VAL 6 N -0.35 1.64 -0.28 1.68 1.01 0.32 -0.67 120.40 123.75 2nx3 s VAL 6 Ca 0.10 -1.32 -0.11 0.00 0.00 0.00 0.00 61.98 60.65 2nx3 s VAL 6 Cb -0.12 -1.89 -0.05 0.00 0.00 0.00 0.00 36.38 34.32 2nx3 s VAL 6 CO 0.01 -0.12 0.20 -0.63 0.00 0.00 0.00 175.10 174.57 2nx3 s ILE 7 N 1.34 5.30 0.08 2.22 1.01 -0.04 -0.84 121.20 130.27 2nx3 s ILE 7 Ca -0.05 0.20 -0.13 0.00 0.00 0.00 0.00 60.65 60.67 2nx3 s ILE 7 Cb -0.19 -3.54 0.02 0.00 0.01 0.00 0.00 42.46 38.76 2nx3 s ILE 7 CO -0.06 0.25 0.30 0.00 0.00 0.00 0.00 174.94 175.43 2nx3 s ALA 8 N 1.72 -0.64 0.00 9.38 0.00 -0.38 -0.69 121.76 131.14 2nx3 s ALA 8 Ca 0.08 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 51.86 2nx3 s ALA 8 Cb -0.16 0.48 0.00 0.00 0.00 0.00 0.00 23.12 23.44 2nx3 s ALA 8 CO 0.10 -0.51 0.00 0.41 0.00 0.00 0.00 175.76 175.76 2nx3 n GLY 9 N 0.16 -0.10 3.78 0.00 0.00 -1.21 -0.50 105.19 107.32 2nx3 n GLY 9 Ca -0.17 -1.40 -0.36 0.00 0.00 0.00 0.00 46.02 44.08 2nx3 n GLY 9 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2nx3 s PRO 10 N -1.85 4.03 0.14 1.61 0.04 -1.21 -0.90 135.00 136.86 2nx3 s PRO 10 Ca 0.00 1.54 -0.24 0.00 0.04 0.00 0.00 61.00 62.35 2nx3 s PRO 10 Cb 0.00 -2.45 -0.01 0.00 0.04 0.00 0.00 34.50 32.07 2nx3 s PRO 10 CO 0.00 -0.26 1.64 -0.97 0.04 0.00 0.00 177.00 177.44 2nx3 h ASN 11 N 2.28 -0.73 -2.95 6.66 -1.24 -1.86 -3.36 115.58 114.38 2nx3 h ASN 11 Ca -0.49 0.12 -0.61 0.00 0.71 0.00 0.00 56.30 56.03 2nx3 h ASN 11 Cb 1.22 0.32 -0.17 0.00 0.73 0.00 0.00 38.32 40.43 2nx3 h ASN 11 CO 0.61 -0.29 -0.79 0.00 -1.29 0.00 0.00 177.43 175.67 2nx3 s ALA 12 N -6.08 2.48 -1.22 1.57 0.00 -1.26 -1.24 121.76 116.01 2nx3 s ALA 12 Ca -0.15 -1.69 -0.19 0.00 0.00 0.00 0.00 51.96 49.93 2nx3 s ALA 12 Cb 0.11 -0.27 0.08 0.00 0.00 0.00 0.00 23.12 23.04 2nx3 s ALA 12 CO 0.67 0.33 1.63 0.42 0.00 0.00 0.00 175.76 178.80 2nx3 s ILE 13 N -2.07 4.20 0.32 0.00 1.01 -0.24 -4.74 121.20 119.68 2nx3 s ILE 13 Ca 0.23 -1.74 0.10 0.00 0.00 0.00 0.00 60.65 59.23 2nx3 s ILE 13 Cb -0.06 -5.13 0.05 0.00 0.01 0.00 0.00 42.46 37.33 2nx3 s ILE 13 CO 0.11 -1.95 1.74 -0.33 0.00 0.00 0.00 174.94 174.50 2nx3 h GLU 14 N 8.04 0.09 -1.37 2.79 5.08 -1.96 -3.41 114.58 123.83 2nx3 h GLU 14 Ca 0.37 -0.04 0.24 0.00 -1.00 0.00 0.00 59.36 58.93 2nx3 h GLU 14 Cb 0.90 -0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.94 2nx3 h GLU 14 CO 1.42 0.51 0.83 -1.54 -1.00 0.00 0.00 179.01 179.23 2nx3 s SER 15 N -6.90 -0.13 0.54 1.42 1.04 -1.26 -5.00 113.70 103.41 2nx3 s SER 15 Ca -0.03 0.05 0.27 0.00 0.48 0.00 0.00 55.95 56.72 2nx3 s SER 15 Cb 0.14 0.13 1.56 0.00 0.10 0.00 0.00 66.02 67.94 2nx3 s SER 15 CO 0.75 -0.19 2.14 -0.08 0.98 0.00 0.00 173.24 176.85 2nx3 h GLU 16 N 2.07 0.00 -0.18 4.02 4.81 -1.97 -2.71 114.58 120.62 2nx3 h GLU 16 Ca -0.09 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.05 2nx3 h GLU 16 Cb 1.17 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.55 2nx3 h GLU 16 CO 0.23 0.07 -0.24 1.49 -0.73 0.00 0.00 179.01 179.84 2nx3 h GLU 17 N 0.00 0.49 -0.73 1.92 4.81 -1.99 -1.87 114.58 117.21 2nx3 h GLU 17 Ca -0.00 -0.28 -0.00 0.00 -0.13 0.00 0.00 59.36 58.95 2nx3 h GLU 17 Cb 0.19 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.55 2nx3 h GLU 17 CO 0.01 0.87 0.44 1.25 -0.73 0.00 0.00 179.01 180.85 2nx3 h LEU 18 N 0.14 0.87 -0.40 1.64 5.85 -1.88 -1.62 115.31 119.92 2nx3 h LEU 18 Ca 0.02 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2nx3 h LEU 18 Cb 0.80 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 2nx3 h LEU 18 CO 0.06 0.68 0.25 -0.07 -0.34 0.00 0.00 178.44 179.01 2nx3 h LEU 19 N 0.99 0.47 -1.24 2.25 4.07 -1.45 -1.06 115.31 119.34 2nx3 h LEU 19 Ca 0.26 -0.04 -0.08 0.00 0.08 0.00 0.00 57.88 58.11 2nx3 h LEU 19 Cb -0.04 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 41.57 2nx3 h LEU 19 CO -0.05 0.37 -0.36 -0.07 -1.08 0.00 0.00 178.44 177.24 2nx3 h LEU 20 N 0.53 0.00 -0.11 1.67 3.38 -1.06 0.14 115.31 119.85 2nx3 h LEU 20 Ca 0.14 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.92 2nx3 h LEU 20 Cb -0.02 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.74 2nx3 h LEU 20 CO -0.03 0.36 -0.70 0.50 0.09 0.00 0.00 178.44 178.67 2nx3 h LYS 21 N 0.00 0.66 -0.09 1.13 3.64 -0.86 -1.07 116.57 119.97 2nx3 h LYS 21 Ca -0.00 -0.57 -0.19 0.00 -1.27 0.00 0.00 60.65 58.61 2nx3 h LYS 21 Cb 0.70 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.64 2nx3 h LYS 21 CO 0.05 1.18 -0.74 0.28 -2.27 0.00 0.00 179.45 177.95 2nx3 h VAL 22 N 0.33 1.36 -0.72 2.00 2.07 -1.10 -3.09 116.25 117.10 2nx3 h VAL 22 Ca -0.06 -2.10 -0.03 0.00 0.82 0.00 0.00 66.70 65.33 2nx3 h VAL 22 Cb 1.34 2.08 -0.03 0.00 -1.52 0.00 0.00 31.29 33.16 2nx3 h VAL 22 CO 0.14 0.64 0.32 1.23 0.02 0.00 0.00 177.57 179.92 2nx3 h GLY 23 N 1.13 1.11 0.78 2.17 0.00 -0.71 -0.72 103.07 106.82 2nx3 h GLY 23 Ca -0.04 -0.56 0.05 0.00 0.00 0.00 0.00 47.33 46.79 2nx3 h GLY 23 CO 0.13 0.53 0.51 -2.09 0.00 0.00 0.00 176.54 175.62 2nx3 h GLU 24 N 1.03 0.93 -0.16 4.80 4.57 -1.11 0.18 114.58 124.81 2nx3 h GLU 24 Ca 0.25 -0.06 -0.13 0.00 -1.18 0.00 0.00 59.36 58.25 2nx3 h GLU 24 Cb 0.14 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.52 2nx3 h GLU 24 CO -0.03 0.62 -0.39 1.49 -1.18 0.00 0.00 179.01 179.52 2nx3 h GLU 25 N 0.96 0.55 -0.67 1.92 4.57 -1.37 -1.79 114.58 118.76 2nx3 h GLU 25 Ca 0.35 -0.37 0.01 0.00 -1.18 0.00 0.00 59.36 58.16 2nx3 h GLU 25 Cb 0.11 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 2nx3 h GLU 25 CO -0.15 0.99 0.44 0.82 -1.18 0.00 0.00 179.01 179.93 2nx3 h ILE 26 N 0.20 1.16 -0.71 2.32 1.08 -0.73 0.28 117.51 121.11 2nx3 h ILE 26 Ca -0.00 -0.31 0.03 0.00 -0.39 0.00 0.00 64.86 64.20 2nx3 h ILE 26 Cb 0.99 0.19 -0.05 0.00 -3.07 0.00 0.00 36.82 34.89 2nx3 h ILE 26 CO 0.08 0.16 0.44 0.50 -0.69 0.00 0.00 178.15 178.65 2nx3 h LYS 27 N 0.89 0.83 -0.77 2.37 1.63 -0.62 0.40 116.57 121.30 2nx3 h LYS 27 Ca 0.25 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 60.00 2nx3 h LYS 27 Cb -0.09 -0.19 -0.04 0.00 -0.60 0.00 0.00 32.23 31.32 2nx3 h LYS 27 CO -0.06 0.55 0.46 -0.09 -3.45 0.00 0.00 179.45 176.86 2nx3 h ARG 28 N 0.85 1.04 -0.49 1.90 2.43 -0.31 -2.26 114.38 117.55 2nx3 h ARG 28 Ca 0.29 -0.09 -0.12 0.00 -0.81 0.00 0.00 59.98 59.25 2nx3 h ARG 28 Cb 0.04 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 2nx3 h ARG 28 CO -0.12 0.74 -0.16 -0.07 -1.51 0.00 0.00 179.97 178.85 2nx3 h LEU 29 N 1.05 0.96 -1.28 3.80 3.38 0.70 -1.94 115.31 121.99 2nx3 h LEU 29 Ca 0.28 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 2nx3 h LEU 29 Cb -0.04 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 2nx3 h LEU 29 CO -0.05 1.11 -0.10 0.77 0.09 0.00 0.00 178.44 180.26 2nx3 h SER 30 N 0.84 0.35 0.56 -0.43 4.64 0.10 0.32 113.55 119.93 2nx3 h SER 30 Ca 0.12 -0.07 -0.21 0.00 -0.47 0.00 0.00 61.79 61.16 2nx3 h SER 30 Cb 0.72 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 2nx3 h SER 30 CO 0.06 0.49 -0.94 -0.33 -0.87 0.00 0.00 176.83 175.23 2nx3 h GLU 31 N 0.35 0.24 -0.10 4.77 4.39 -1.25 -3.26 114.58 119.72 2nx3 h GLU 31 Ca 0.07 -0.28 -0.17 0.00 0.34 0.00 0.00 59.36 59.32 2nx3 h GLU 31 Cb 0.39 0.08 0.01 0.00 -0.10 0.00 0.00 28.75 29.13 2nx3 h GLU 31 CO 0.02 1.01 -0.61 -0.22 -1.16 0.00 0.00 179.01 178.05 2nx3 h LYS 32 N 0.12 0.58 -2.95 2.33 3.64 -0.92 -3.36 116.57 116.02 2nx3 h LYS 32 Ca -0.06 -0.50 -0.71 0.00 -1.27 0.00 0.00 60.65 58.11 2nx3 h LYS 32 Cb 1.58 0.11 -0.35 0.00 -0.41 0.00 0.00 32.23 33.17 2nx3 h LYS 32 CO 0.15 1.12 0.04 1.19 -2.27 0.00 0.00 179.45 179.68 2nx3 n PHE 33 N -4.14 3.62 0.32 1.91 3.72 0.07 -4.89 117.46 118.07 2nx3 n PHE 33 Ca -0.08 -3.73 0.21 0.00 -0.05 0.00 0.00 57.45 53.80 2nx3 n PHE 33 Cb 0.66 -1.05 1.08 0.00 -0.94 0.00 0.00 39.48 39.23 2nx3 n PHE 33 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2nx3 h LYS 34 N 5.42 0.00 -0.01 -1.08 1.79 -1.72 -1.44 116.57 119.53 2nx3 h LYS 34 Ca 0.18 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 2nx3 h LYS 34 Cb 0.72 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 2nx3 h LYS 34 CO 0.98 0.00 0.00 -0.85 -1.08 0.00 0.00 179.45 178.51 2nx3 n GLU 35 N -3.12 1.22 -4.45 3.15 0.00 -1.26 -4.81 120.64 111.37 2nx3 n GLU 35 Ca -0.02 -0.32 -0.32 0.00 0.00 0.00 0.00 57.16 56.50 2nx3 n GLU 35 Cb 0.13 -1.49 -0.10 0.00 0.00 0.00 0.00 31.44 29.97 2nx3 n GLU 35 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2nx3 s VAL 36 N -2.00 3.69 -0.32 3.84 1.01 -0.54 -3.82 120.40 122.25 2nx3 s VAL 36 Ca 0.45 -0.75 -0.09 0.00 0.00 0.00 0.00 61.98 61.58 2nx3 s VAL 36 Cb 0.22 -2.60 0.00 0.00 0.00 0.00 0.00 36.38 33.99 2nx3 s VAL 36 CO 0.36 0.40 0.15 -0.70 0.00 0.00 0.00 175.10 175.31 2nx3 s GLU 37 N -1.41 3.22 -0.10 2.72 2.12 -0.38 -4.98 118.70 119.89 2nx3 s GLU 37 Ca 0.17 -0.80 -0.09 0.00 0.36 0.00 0.00 54.97 54.61 2nx3 s GLU 37 Cb -0.11 -3.57 -0.04 0.00 0.26 0.00 0.00 34.13 30.67 2nx3 s GLU 37 CO 0.08 -0.46 0.20 -0.06 -0.54 0.00 0.00 175.26 174.47 2nx3 s PHE 38 N 1.59 3.60 -0.08 5.30 0.08 -1.26 -0.52 117.98 126.69 2nx3 s PHE 38 Ca 0.04 0.62 0.02 0.00 0.12 0.00 0.00 56.93 57.72 2nx3 s PHE 38 Cb -0.17 -2.05 0.01 0.00 -0.57 0.00 0.00 43.02 40.24 2nx3 s PHE 38 CO 0.06 0.66 -0.13 0.08 -0.10 0.00 0.00 175.22 175.78 2nx3 s VAL 39 N -0.84 1.27 -0.18 -0.44 1.01 -0.02 -4.13 120.40 117.06 2nx3 s VAL 39 Ca 0.16 -0.53 -0.26 0.00 0.00 0.00 0.00 61.98 61.35 2nx3 s VAL 39 Cb -0.13 -1.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 2nx3 s VAL 39 CO 0.05 0.39 0.86 0.12 0.00 0.00 0.00 175.10 176.53 2nx3 s PHE 40 N 0.84 3.40 0.09 5.22 5.36 0.70 -1.25 117.98 132.35 2nx3 s PHE 40 Ca -0.11 1.28 0.08 0.00 -0.96 0.00 0.00 56.93 57.22 2nx3 s PHE 40 Cb -0.15 -3.05 -0.04 0.00 -0.34 0.00 0.00 43.02 39.43 2nx3 s PHE 40 CO 0.01 -0.28 -0.14 0.21 -1.46 0.00 0.00 175.22 173.56 2nx3 s LYS 41 N 2.33 2.02 -0.30 10.12 2.36 0.34 -1.02 119.74 135.59 2nx3 s LYS 41 Ca 0.39 -1.06 -0.16 0.00 -2.55 0.00 0.00 55.97 52.59 2nx3 s LYS 41 Cb -0.16 -2.23 0.20 0.00 -1.05 0.00 0.00 37.83 34.59 2nx3 s LYS 41 CO 0.11 0.51 1.23 0.45 1.55 0.00 0.00 175.35 179.20 2nx3 s SER 42 N -2.01 -0.12 0.02 1.43 0.15 -1.15 -3.36 113.70 108.66 2nx3 s SER 42 Ca 0.19 0.20 -0.27 0.00 0.70 0.00 0.00 55.95 56.77 2nx3 s SER 42 Cb -0.11 1.03 -0.05 0.00 -1.71 0.00 0.00 66.02 65.19 2nx3 s SER 42 CO 0.11 -0.03 0.83 -0.44 1.20 0.00 0.00 173.24 174.91 2nx3 s SER 43 N 1.06 7.25 0.14 5.45 0.01 -0.37 -4.61 113.70 122.63 2nx3 s SER 43 Ca -0.08 1.50 0.27 0.00 1.31 0.00 0.00 55.95 58.94 2nx3 s SER 43 Cb -0.02 -2.50 0.84 0.00 0.21 0.00 0.00 66.02 64.54 2nx3 s SER 43 CO -0.11 -0.09 1.74 2.22 0.41 0.00 0.00 173.24 177.42 2nx3 n PHE 44 N 3.25 0.62 -3.68 2.43 1.16 -1.26 -1.08 117.46 118.90 2nx3 n PHE 44 Ca 0.00 0.18 -0.11 0.00 -1.87 0.00 0.00 57.45 55.65 2nx3 n PHE 44 Cb 0.50 -0.77 -0.09 0.00 -1.61 0.00 0.00 39.48 37.52 2nx3 n PHE 44 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2nx3 s ASP 45 N -4.05 -0.65 -0.86 5.98 2.15 -1.26 -3.84 116.67 114.14 2nx3 s ASP 45 Ca 0.11 1.14 -0.14 0.00 0.43 0.00 0.00 52.55 54.10 2nx3 s ASP 45 Cb 0.14 1.09 0.22 0.00 -0.30 0.00 0.00 42.92 44.07 2nx3 s ASP 45 CO 0.60 -0.20 0.82 -0.54 -0.17 0.00 0.00 175.17 175.68 2nx3 s LYS 46 N 0.93 3.67 0.00 4.34 -0.14 0.14 -4.89 119.74 123.79 2nx3 s LYS 46 Ca -0.05 -2.51 0.30 0.00 -1.36 0.00 0.00 55.97 52.34 2nx3 s LYS 46 Cb -0.05 -4.47 1.44 0.00 -1.68 0.00 0.00 37.83 33.07 2nx3 s LYS 46 CO -0.08 -1.31 1.98 0.00 -0.76 0.00 0.00 175.35 175.19 2nx3 n ALA 47 N 3.96 2.67 -2.01 5.17 0.00 -1.26 -4.05 120.51 124.97 2nx3 n ALA 47 Ca 0.15 -0.24 0.04 0.00 0.00 0.00 0.00 53.44 53.40 2nx3 n ALA 47 Cb 0.46 -1.40 0.12 0.00 0.00 0.00 0.00 19.45 18.64 2nx3 n ALA 47 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2nx3 n ASN 48 N -0.95 1.48 -4.70 0.00 6.94 -1.26 -5.08 115.26 111.69 2nx3 n ASN 48 Ca 0.17 -3.06 -0.36 0.00 -0.02 0.00 0.00 54.58 51.31 2nx3 n ASN 48 Cb 0.23 -0.43 0.09 0.00 -2.36 0.00 0.00 39.78 37.32 2nx3 n ASN 48 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2nx3 n ARG 49 N -0.42 0.74 -0.15 -3.83 5.12 -1.26 -4.91 116.66 111.95 2nx3 n ARG 49 Ca 0.14 0.31 -0.07 0.00 -1.93 0.00 0.00 57.85 56.30 2nx3 n ARG 49 Cb 0.89 -2.45 0.08 0.00 -1.16 0.00 0.00 32.46 29.83 2nx3 n ARG 49 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 2nx3 h SER 50 N -0.02 0.91 -3.26 0.55 0.02 -1.97 -3.44 113.55 106.32 2nx3 h SER 50 Ca -0.49 -0.26 -0.68 0.00 -0.84 0.00 0.00 61.79 59.52 2nx3 h SER 50 Cb 1.33 -0.24 -0.14 0.00 0.14 0.00 0.00 62.40 63.48 2nx3 h SER 50 CO 0.50 1.00 -0.61 -0.55 -1.14 0.00 0.00 176.83 176.02 2nx3 s SER 51 N -6.64 5.33 0.39 3.07 0.15 -1.24 -4.99 113.70 109.76 2nx3 s SER 51 Ca -0.10 0.15 0.27 0.00 0.70 0.00 0.00 55.95 56.97 2nx3 s SER 51 Cb 0.14 -1.51 1.37 0.00 -1.71 0.00 0.00 66.02 64.31 2nx3 s SER 51 CO 0.84 0.36 1.83 -0.29 1.20 0.00 0.00 173.24 177.18 2nx3 h ILE 52 N 4.02 0.00 -0.01 6.45 6.09 -1.94 -2.56 117.51 129.56 2nx3 h ILE 52 Ca -0.51 -0.10 0.00 0.00 -1.37 0.00 0.00 64.86 62.88 2nx3 h ILE 52 Cb 1.19 0.78 0.00 0.00 0.47 0.00 0.00 36.82 39.27 2nx3 h ILE 52 CO 0.55 0.00 -0.47 1.41 -3.07 0.00 0.00 178.15 176.57 2nx3 n HIS 53 N -2.47 0.00 -1.19 2.19 8.25 -1.26 -4.99 115.22 115.75 2nx3 n HIS 53 Ca -0.01 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.15 2nx3 n HIS 53 Cb 0.11 0.00 0.12 0.00 1.12 0.00 0.00 29.99 31.34 2nx3 n HIS 53 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2nx3 s SER 54 N -2.21 3.93 0.20 0.41 0.01 -0.97 -4.94 113.70 110.13 2nx3 s SER 54 Ca 0.13 1.71 -0.31 0.00 1.31 0.00 0.00 55.95 58.80 2nx3 s SER 54 Cb 0.14 -2.39 -0.10 0.00 0.21 0.00 0.00 66.02 63.89 2nx3 s SER 54 CO 0.51 -2.38 1.52 0.12 0.41 0.00 0.00 173.24 173.42 2nx3 s PHE 55 N -2.89 3.03 -0.12 2.43 5.36 -1.26 -4.94 117.98 119.60 2nx3 s PHE 55 Ca 0.63 0.80 -0.07 0.00 -0.96 0.00 0.00 56.93 57.33 2nx3 s PHE 55 Cb -0.18 -3.89 -0.05 0.00 -0.34 0.00 0.00 43.02 38.56 2nx3 s PHE 55 CO 0.57 -3.11 -0.16 0.54 -1.46 0.00 0.00 175.22 171.59 2nx3 n ARG 56 N 3.25 0.26 -3.02 10.12 1.74 -1.26 -4.73 116.66 123.03 2nx3 n ARG 56 Ca 0.11 0.12 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 2nx3 n ARG 56 Cb 0.39 -0.95 0.00 0.00 -1.02 0.00 0.00 32.46 30.89 2nx3 n ARG 56 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2nx3 n GLY 57 N 2.25 -1.94 1.56 -0.13 0.00 -1.26 0.24 105.19 105.92 2nx3 n GLY 57 Ca -0.23 -1.48 0.10 0.00 0.00 0.00 0.00 46.02 44.41 2nx3 n GLY 57 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2nx3 n HIS 58 N -0.87 1.44 0.00 1.61 8.25 -1.25 -5.02 115.22 119.38 2nx3 n HIS 58 Ca 0.00 -0.61 0.00 0.00 -0.26 0.00 0.00 57.72 56.85 2nx3 n HIS 58 Cb 0.00 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 30.88 2nx3 n HIS 58 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2nx3 n GLY 59 N 1.13 1.53 0.08 -1.41 0.00 -1.25 -4.42 105.19 100.85 2nx3 n GLY 59 Ca 0.26 -1.70 -0.11 0.00 0.00 0.00 0.00 46.02 44.47 2nx3 n GLY 59 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2nx3 h LEU 60 N 0.00 0.15 -0.53 0.99 6.46 -1.97 -1.58 115.31 118.82 2nx3 h LEU 60 Ca 0.00 -0.03 0.07 0.00 -0.12 0.00 0.00 57.88 57.80 2nx3 h LEU 60 Cb 0.00 -0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 39.83 2nx3 h LEU 60 CO 0.00 0.13 0.21 -0.33 -0.62 0.00 0.00 178.44 177.84 2nx3 h GLU 61 N 0.16 0.40 -0.39 1.25 5.08 -1.98 -0.10 114.58 119.00 2nx3 h GLU 61 Ca 0.05 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.25 2nx3 h GLU 61 Cb 0.01 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2nx3 h GLU 61 CO -0.01 0.26 -0.30 -0.92 -1.00 0.00 0.00 179.01 177.04 2nx3 h TYR 62 N 0.41 1.00 -0.40 4.33 3.20 -1.75 -2.94 116.97 120.82 2nx3 h TYR 62 Ca 0.25 -0.26 -0.11 0.00 3.14 0.00 0.00 58.73 61.75 2nx3 h TYR 62 Cb 0.26 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 2nx3 h TYR 62 CO -0.15 1.05 -0.21 0.78 -1.64 0.00 0.00 178.16 177.99 2nx3 h GLY 63 N 0.90 0.86 1.15 1.82 0.00 -0.62 -1.72 103.07 105.45 2nx3 h GLY 63 Ca 0.08 -0.73 -0.12 0.00 0.00 0.00 0.00 47.33 46.57 2nx3 h GLY 63 CO 0.08 0.66 -0.15 -2.08 0.00 0.00 0.00 176.54 175.05 2nx3 h VAL 64 N 0.69 1.27 -0.25 4.60 2.07 -1.05 -0.19 116.25 123.38 2nx3 h VAL 64 Ca 0.10 -1.30 -0.11 0.00 0.82 0.00 0.00 66.70 66.21 2nx3 h VAL 64 Cb 0.73 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 2nx3 h VAL 64 CO 0.06 0.45 -0.32 0.11 0.02 0.00 0.00 177.57 177.89 2nx3 h LYS 65 N 0.87 0.53 -0.30 1.57 1.57 -1.40 -0.20 116.57 119.20 2nx3 h LYS 65 Ca 0.13 -0.23 -0.09 0.00 -1.87 0.00 0.00 60.65 58.58 2nx3 h LYS 65 Cb 0.71 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 2nx3 h LYS 65 CO 0.05 0.79 -0.18 0.00 -0.57 0.00 0.00 179.45 179.54 2nx3 h ALA 66 N 1.20 0.42 -0.41 3.86 0.00 -1.02 -1.58 119.26 121.74 2nx3 h ALA 66 Ca 0.05 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 2nx3 h ALA 66 Cb 0.78 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2nx3 h ALA 66 CO 0.06 0.35 -0.10 -0.07 0.00 0.00 0.00 179.25 179.49 2nx3 h LEU 67 N 0.40 0.70 -1.38 0.00 3.38 -0.90 -2.03 115.31 115.48 2nx3 h LEU 67 Ca 0.06 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 2nx3 h LEU 67 Cb 0.72 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2nx3 h LEU 67 CO 0.05 0.83 -0.22 -0.09 0.09 0.00 0.00 178.44 179.11 2nx3 h ARG 68 N 0.65 0.14 -0.55 1.13 2.43 -0.85 -1.74 114.38 115.59 2nx3 h ARG 68 Ca 0.11 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.18 2nx3 h ARG 68 Cb 0.55 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 2nx3 h ARG 68 CO 0.03 0.36 0.08 -0.22 -1.51 0.00 0.00 179.97 178.71 2nx3 h LYS 69 N 0.13 0.92 -0.51 0.20 1.63 -0.58 -1.14 116.57 117.22 2nx3 h LYS 69 Ca 0.02 -0.25 -0.04 0.00 -0.85 0.00 0.00 60.65 59.54 2nx3 h LYS 69 Cb 0.46 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.96 2nx3 h LYS 69 CO 0.03 0.89 0.18 0.28 -3.45 0.00 0.00 179.45 177.38 2nx3 h VAL 70 N 0.81 1.22 -0.32 2.00 2.07 -0.95 -0.54 116.25 120.53 2nx3 h VAL 70 Ca 0.17 -0.72 -0.10 0.00 0.82 0.00 0.00 66.70 66.87 2nx3 h VAL 70 Cb 0.42 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2nx3 h VAL 70 CO 0.01 0.27 -0.21 0.50 0.02 0.00 0.00 177.57 178.15 2nx3 h LYS 71 N 0.68 0.62 0.08 1.57 3.64 -1.15 -0.61 116.57 121.40 2nx3 h LYS 71 Ca 0.17 -0.23 -0.26 0.00 -1.27 0.00 0.00 60.65 59.05 2nx3 h LYS 71 Cb 0.24 -0.04 0.03 0.00 -0.41 0.00 0.00 32.23 32.04 2nx3 h LYS 71 CO -0.01 0.79 -1.08 0.93 -2.27 0.00 0.00 179.45 177.82 2nx3 h GLU 72 N 0.55 0.58 -0.02 1.90 5.08 -1.06 0.74 114.58 122.35 2nx3 h GLU 72 Ca 0.08 -0.74 -0.19 0.00 -1.00 0.00 0.00 59.36 57.51 2nx3 h GLU 72 Cb 0.67 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 2nx3 h GLU 72 CO 0.05 1.32 -0.83 1.49 -1.00 0.00 0.00 179.01 180.04 2nx3 h GLU 73 N 0.19 0.28 -0.00 2.33 4.81 -1.09 -3.36 114.58 117.74 2nx3 h GLU 73 Ca -0.16 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 2nx3 h GLU 73 Cb 1.76 0.07 0.00 0.00 0.63 0.00 0.00 28.75 31.21 2nx3 h GLU 73 CO 0.21 0.96 -0.24 1.19 -0.73 0.00 0.00 179.01 180.40 2nx3 n PHE 74 N -3.74 0.00 -2.39 0.92 3.72 -0.24 -5.01 117.46 110.72 2nx3 n PHE 74 Ca -0.04 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.22 2nx3 n PHE 74 Cb 0.77 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.31 2nx3 n PHE 74 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2nx3 n GLY 75 N 1.02 -0.19 3.92 1.37 0.00 0.25 -4.96 105.19 106.60 2nx3 n GLY 75 Ca 0.02 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 2nx3 n GLY 75 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nx3 s LEU 76 N -4.17 4.30 0.60 0.99 1.43 -1.24 -5.04 118.68 115.56 2nx3 s LEU 76 Ca 0.05 0.38 -0.15 0.00 -1.03 0.00 0.00 54.13 53.38 2nx3 s LEU 76 Cb -0.02 -3.10 -0.03 0.00 0.03 0.00 0.00 46.19 43.07 2nx3 s LEU 76 CO 0.06 0.08 1.06 -0.54 0.23 0.00 0.00 176.35 177.24 2nx3 s LYS 77 N -2.81 3.27 -0.01 1.70 1.02 -1.26 -4.47 119.74 117.19 2nx3 s LYS 77 Ca 0.37 1.18 0.06 0.00 0.02 0.00 0.00 55.97 57.60 2nx3 s LYS 77 Cb -0.12 -2.03 -0.01 0.00 -0.52 0.00 0.00 37.83 35.15 2nx3 s LYS 77 CO 0.27 -0.85 -0.18 0.42 -0.92 0.00 0.00 175.35 174.10 2nx3 s ILE 78 N -2.51 1.39 0.00 2.17 -1.09 -1.26 -0.22 121.20 119.68 2nx3 s ILE 78 Ca 0.63 -0.79 0.00 0.00 -2.23 0.00 0.00 60.65 58.26 2nx3 s ILE 78 Cb -0.16 -1.16 -0.00 0.00 -1.58 0.00 0.00 42.46 39.56 2nx3 s ILE 78 CO 0.39 0.36 -0.01 0.28 -1.23 0.00 0.00 174.94 174.72 2nx3 s THR 79 N -0.46 0.10 0.11 2.92 -1.32 -0.18 0.41 115.64 117.21 2nx3 s THR 79 Ca 0.07 -0.15 -0.13 0.00 -1.21 0.00 0.00 61.69 60.27 2nx3 s THR 79 Cb -0.07 -0.11 0.02 0.00 -1.51 0.00 0.00 72.50 70.83 2nx3 s THR 79 CO -0.00 -0.03 0.32 0.28 -2.21 0.00 0.00 174.62 172.98 2nx3 s THR 80 N -0.18 0.10 0.14 5.08 -1.32 -1.19 -2.93 115.64 115.33 2nx3 s THR 80 Ca -0.01 -0.80 -0.01 0.00 -1.21 0.00 0.00 61.69 59.66 2nx3 s THR 80 Cb -0.01 -1.22 -0.04 0.00 -1.51 0.00 0.00 72.50 69.71 2nx3 s THR 80 CO -0.00 -0.44 0.32 1.51 -2.21 0.00 0.00 174.62 173.80 2nx3 s ASP 81 N -2.81 6.40 0.23 8.08 -4.77 -1.26 -0.85 116.67 121.70 2nx3 s ASP 81 Ca 0.03 0.38 0.10 0.00 -3.30 0.00 0.00 52.55 49.76 2nx3 s ASP 81 Cb 0.03 -2.00 -0.04 0.00 -1.09 0.00 0.00 42.92 39.81 2nx3 s ASP 81 CO -0.11 0.05 -0.07 0.27 0.70 0.00 0.00 175.17 176.01 2nx3 s ILE 82 N -1.70 3.18 0.00 2.11 -4.36 -0.52 -4.78 121.20 115.14 2nx3 s ILE 82 Ca 0.38 -1.90 0.00 0.00 -0.26 0.00 0.00 60.65 58.87 2nx3 s ILE 82 Cb -0.12 -2.65 0.00 0.00 1.25 0.00 0.00 42.46 40.94 2nx3 s ILE 82 CO 0.28 -0.28 0.00 1.41 0.24 0.00 0.00 174.94 176.59 2nx3 n HIS 83 N -0.48 0.00 -3.84 1.37 8.25 -1.26 -4.34 115.22 114.92 2nx3 n HIS 83 Ca -0.08 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.26 2nx3 n HIS 83 Cb 0.58 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.59 2nx3 n HIS 83 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2nx3 s GLU 84 N -1.15 0.55 0.25 -0.41 2.02 -1.26 -5.07 118.70 113.63 2nx3 s GLU 84 Ca 0.00 -0.35 -0.05 0.00 0.02 0.00 0.00 54.97 54.59 2nx3 s GLU 84 Cb 0.00 0.23 0.49 0.00 0.10 0.00 0.00 34.13 34.95 2nx3 s GLU 84 CO 0.00 -0.14 1.65 0.77 0.02 0.00 0.00 175.26 177.56 2nx3 h SER 85 N 4.10 -0.21 -0.08 -0.19 0.02 -1.91 -1.61 113.55 113.69 2nx3 h SER 85 Ca -0.31 0.18 0.02 0.00 -0.84 0.00 0.00 61.79 60.85 2nx3 h SER 85 Cb 1.19 0.30 -0.00 0.00 0.14 0.00 0.00 62.40 64.02 2nx3 h SER 85 CO 0.41 -0.14 0.27 4.11 -1.14 0.00 0.00 176.83 180.33 2nx3 h TRP 86 N 0.16 0.00 0.00 3.45 5.08 -1.97 -2.40 115.95 120.26 2nx3 h TRP 86 Ca 0.44 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 60.38 2nx3 h TRP 86 Cb 0.79 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.94 2nx3 h TRP 86 CO -0.36 0.00 -0.13 1.96 -1.28 0.00 0.00 178.44 178.64 2nx3 h GLN 87 N 0.00 0.00 -0.06 0.12 4.20 -1.72 -3.37 115.11 114.28 2nx3 h GLN 87 Ca 0.04 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.78 2nx3 h GLN 87 Cb 0.58 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.30 2nx3 h GLN 87 CO -0.00 0.13 -0.41 0.00 -0.67 0.00 0.00 178.83 177.88 2nx3 h ALA 88 N 1.87 -0.61 0.27 3.87 0.00 -1.58 -2.10 119.26 120.98 2nx3 h ALA 88 Ca -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2nx3 h ALA 88 Cb 1.09 0.74 -0.03 0.00 0.00 0.00 0.00 17.79 19.58 2nx3 h ALA 88 CO 0.02 -0.93 -0.47 1.49 0.00 0.00 0.00 179.25 179.37 2nx3 h GLU 89 N -0.52 -0.76 -0.28 0.00 4.81 -1.80 0.21 114.58 116.24 2nx3 h GLU 89 Ca 0.06 0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 2nx3 h GLU 89 Cb 0.63 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.17 2nx3 h GLU 89 CO -0.35 -0.50 0.11 -1.00 -0.73 0.00 0.00 179.01 176.54 2nx3 h PRO 90 N -0.78 0.40 -0.21 0.92 0.13 -1.78 -1.94 132.00 128.72 2nx3 h PRO 90 Ca -0.03 -0.05 -0.13 0.00 -0.87 0.00 0.00 66.00 64.92 2nx3 h PRO 90 Cb 0.73 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.77 2nx3 h PRO 90 CO -0.16 0.34 -0.43 0.28 -0.23 0.00 0.00 178.00 177.80 2nx3 h VAL 91 N 0.40 1.31 0.00 1.56 2.07 -1.06 -2.91 116.25 117.61 2nx3 h VAL 91 Ca 0.10 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 66.02 2nx3 h VAL 91 Cb 0.10 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 2nx3 h VAL 91 CO -0.01 0.50 0.00 0.00 0.02 0.00 0.00 177.57 178.08 2nx3 h ALA 92 N 1.11 1.00 0.00 1.67 0.00 0.24 -1.50 119.26 121.78 2nx3 h ALA 92 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2nx3 h ALA 92 Cb 0.92 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 2nx3 h ALA 92 CO 0.08 0.00 -0.04 0.93 0.00 0.00 0.00 179.25 180.22 2nx3 h GLU 93 N 0.00 0.00 0.00 0.00 4.39 -1.48 -3.33 114.58 114.16 2nx3 h GLU 93 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2nx3 h GLU 93 Cb 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 2nx3 h GLU 93 CO 0.00 0.04 -0.66 1.55 -1.16 0.00 0.00 179.01 178.78 2nx3 n VAL 94 N -3.34 0.00 -2.69 3.13 3.14 -0.80 -5.06 118.33 112.70 2nx3 n VAL 94 Ca -0.02 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.95 2nx3 n VAL 94 Cb 0.18 -0.64 -0.04 0.00 -1.06 0.00 0.00 33.84 32.29 2nx3 n VAL 94 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2nx3 s ALA 95 N -1.66 3.21 0.03 1.55 0.00 -0.63 -4.58 121.76 119.68 2nx3 s ALA 95 Ca 0.00 0.58 0.04 0.00 0.00 0.00 0.00 51.96 52.58 2nx3 s ALA 95 Cb 0.00 -3.32 -0.24 0.00 0.00 0.00 0.00 23.12 19.55 2nx3 s ALA 95 CO 0.00 -0.16 0.94 -0.44 0.00 0.00 0.00 175.76 176.10 2nx3 h ASP 96 N 6.28 0.16 -3.36 0.00 3.32 -0.37 -3.44 116.42 119.01 2nx3 h ASP 96 Ca -0.42 -0.23 -0.48 0.00 0.02 0.00 0.00 57.03 55.92 2nx3 h ASP 96 Cb 1.22 -0.05 -0.35 0.00 0.22 0.00 0.00 39.33 40.37 2nx3 h ASP 96 CO 0.74 1.19 -0.80 -0.63 -1.72 0.00 0.00 179.24 178.02 2nx3 s ILE 97 N -2.64 0.90 -0.20 0.35 1.01 -0.96 -2.56 121.20 117.10 2nx3 s ILE 97 Ca -0.05 -0.29 -0.14 0.00 0.00 0.00 0.00 60.65 60.16 2nx3 s ILE 97 Cb 0.08 -0.88 -0.04 0.00 0.01 0.00 0.00 42.46 41.63 2nx3 s ILE 97 CO 0.83 0.32 0.33 -0.63 0.00 0.00 0.00 174.94 175.79 2nx3 s ILE 98 N 1.09 5.26 -0.08 2.92 1.01 0.32 -3.18 121.20 128.53 2nx3 s ILE 98 Ca -0.07 0.58 -0.12 0.00 0.00 0.00 0.00 60.65 61.03 2nx3 s ILE 98 Cb -0.14 -3.66 -0.05 0.00 0.01 0.00 0.00 42.46 38.61 2nx3 s ILE 98 CO -0.01 0.31 0.28 -1.58 0.00 0.00 0.00 174.94 173.94 2nx3 s GLN 99 N 1.02 3.85 -0.25 2.79 0.74 -0.03 -0.39 119.66 127.39 2nx3 s GLN 99 Ca 0.16 0.14 -0.05 0.00 0.05 0.00 0.00 55.36 55.66 2nx3 s GLN 99 Cb -0.14 -3.27 -0.01 0.00 1.10 0.00 0.00 33.01 30.70 2nx3 s GLN 99 CO 0.06 0.60 0.02 0.42 -0.55 0.00 0.00 175.29 175.84 2nx3 s ILE 100 N -0.64 3.74 0.68 -2.34 -1.09 0.11 -1.44 121.20 120.22 2nx3 s ILE 100 Ca 0.19 -0.49 -0.17 0.00 -2.23 0.00 0.00 60.65 57.95 2nx3 s ILE 100 Cb -0.14 -2.78 -0.01 0.00 -1.58 0.00 0.00 42.46 37.94 2nx3 s ILE 100 CO 0.07 0.30 0.95 -2.65 -1.23 0.00 0.00 174.94 172.39 2nx3 n PRO 101 N 4.84 0.62 -0.31 2.79 -0.02 -1.26 -1.73 135.00 139.93 2nx3 n PRO 101 Ca -0.17 0.26 -0.03 0.00 -2.02 0.00 0.00 63.50 61.55 2nx3 n PRO 101 Cb 0.50 -2.19 0.09 0.00 -0.02 0.00 0.00 33.50 31.88 2nx3 n PRO 101 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2nx3 h ALA 102 N -0.03 1.08 0.00 3.55 0.00 -1.90 -2.10 119.26 119.87 2nx3 h ALA 102 Ca -0.48 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2nx3 h ALA 102 Cb 1.35 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2nx3 h ALA 102 CO 0.48 0.47 0.00 0.74 0.00 0.00 0.00 179.25 180.93 2nx3 h PHE 103 N 1.14 0.00 -0.58 0.00 0.04 -1.91 -2.97 116.94 112.65 2nx3 h PHE 103 Ca 0.32 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.09 2nx3 h PHE 103 Cb -0.11 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.04 2nx3 h PHE 103 CO -0.01 0.00 0.00 1.28 -0.60 0.00 0.00 178.31 178.98 2nx3 n LEU 104 N -3.09 4.05 0.10 1.54 4.77 -0.81 -4.62 117.00 118.95 2nx3 n LEU 104 Ca 0.00 -2.26 0.09 0.00 -0.03 0.00 0.00 56.01 53.80 2nx3 n LEU 104 Cb 0.29 -0.47 0.41 0.00 -2.33 0.00 0.00 43.42 41.32 2nx3 n LEU 104 CO 0.27 0.84 0.76 0.00 -1.33 0.00 0.00 177.39 177.92 2nx3 n ARG 106 N -2.01 1.41 -2.55 0.00 5.12 -1.26 -4.89 116.66 112.48 2nx3 n ARG 106 Ca 0.00 -1.18 -0.41 0.00 -1.93 0.00 0.00 57.85 54.33 2nx3 n ARG 106 Cb 0.10 -1.28 -0.03 0.00 -1.16 0.00 0.00 32.46 30.09 2nx3 n ARG 106 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2nx3 s GLN 107 N -1.50 3.34 0.21 5.56 -1.52 -0.71 -4.89 119.66 120.15 2nx3 s GLN 107 Ca 0.16 -0.59 -0.18 0.00 -1.95 0.00 0.00 55.36 52.80 2nx3 s GLN 107 Cb 0.13 -4.67 0.19 0.00 -0.22 0.00 0.00 33.01 28.45 2nx3 s GLN 107 CO 0.27 -2.19 1.58 1.15 -0.25 0.00 0.00 175.29 175.85 2nx3 h THR 108 N 6.36 0.14 0.00 -0.19 2.02 -1.90 -0.98 112.91 118.36 2nx3 h THR 108 Ca -0.08 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.07 2nx3 h THR 108 Cb 1.03 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 67.58 2nx3 h THR 108 CO 1.34 0.00 -0.12 0.44 0.37 0.00 0.00 175.52 177.55 2nx3 h ASP 109 N -0.09 0.00 -0.13 4.18 3.32 -1.98 0.45 116.42 122.17 2nx3 h ASP 109 Ca 0.29 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.24 2nx3 h ASP 109 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 2nx3 h ASP 109 CO -0.78 0.12 -0.31 0.25 -1.72 0.00 0.00 179.24 176.81 2nx3 h LEU 110 N 0.00 0.49 -0.87 1.55 5.85 -1.57 -0.02 115.31 120.74 2nx3 h LEU 110 Ca -0.00 -0.58 -0.03 0.00 0.84 0.00 0.00 57.88 58.12 2nx3 h LEU 110 Cb 0.23 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 2nx3 h LEU 110 CO 0.02 0.98 0.44 -0.07 -0.34 0.00 0.00 178.44 179.47 2nx3 h LEU 111 N 0.02 1.12 -0.41 2.25 3.38 -0.88 -1.33 115.31 119.46 2nx3 h LEU 111 Ca -0.00 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 2nx3 h LEU 111 Cb 0.91 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2nx3 h LEU 111 CO 0.07 0.93 -0.25 -0.07 0.09 0.00 0.00 178.44 179.20 2nx3 h LEU 112 N 1.24 0.94 -0.92 1.67 3.38 -0.87 -1.56 115.31 119.19 2nx3 h LEU 112 Ca 0.30 -0.42 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 2nx3 h LEU 112 Cb 0.08 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 2nx3 h LEU 112 CO -0.04 1.16 0.44 0.00 0.09 0.00 0.00 178.44 180.08 2nx3 h ALA 113 N 0.81 1.16 -0.02 1.53 0.00 -0.66 -0.74 119.26 121.35 2nx3 h ALA 113 Ca 0.09 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2nx3 h ALA 113 Cb 0.83 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2nx3 h ALA 113 CO 0.07 0.65 -0.01 0.00 0.00 0.00 0.00 179.25 179.97 2nx3 h ALA 114 N 1.28 0.03 -0.59 0.00 0.00 -1.14 -3.09 119.26 115.74 2nx3 h ALA 114 Ca 0.30 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 55.06 2nx3 h ALA 114 Cb 0.07 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2nx3 h ALA 114 CO -0.04 -0.27 0.39 0.00 0.00 0.00 0.00 179.25 179.33 2nx3 h ALA 115 N 0.63 1.79 0.00 0.00 0.00 -1.09 -2.19 119.26 118.41 2nx3 h ALA 115 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2nx3 h ALA 115 Cb 0.39 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2nx3 h ALA 115 CO 0.00 0.12 0.00 -0.22 0.00 0.00 0.00 179.25 179.15 2nx3 h LYS 116 N 0.60 0.00 0.00 0.00 3.64 -1.05 -2.73 116.57 117.04 2nx3 h LYS 116 Ca 0.25 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.56 2nx3 h LYS 116 Cb 0.24 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 2nx3 h LYS 116 CO -0.07 0.00 -0.35 1.79 -2.27 0.00 0.00 179.45 178.54 2nx3 h THR 117 N 0.00 0.81 0.00 1.00 1.35 -1.41 -3.47 112.91 111.19 2nx3 h THR 117 Ca 0.00 -1.50 0.00 0.00 -0.55 0.00 0.00 66.41 64.36 2nx3 h THR 117 Cb 0.25 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 2nx3 h THR 117 CO 0.00 0.35 0.00 0.61 -0.25 0.00 0.00 175.52 176.23 2nx3 n GLY 118 N 0.31 0.51 3.93 5.82 0.00 -1.03 -5.06 105.19 109.66 2nx3 n GLY 118 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 2nx3 n GLY 118 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nx3 s ARG 119 N -0.85 3.04 0.73 1.61 1.81 -1.26 -4.94 118.95 119.09 2nx3 s ARG 119 Ca 0.00 -0.11 -0.14 0.00 -1.72 0.00 0.00 55.73 53.76 2nx3 s ARG 119 Cb 0.00 -2.37 0.04 0.00 -0.45 0.00 0.00 34.95 32.17 2nx3 s ARG 119 CO 0.00 -0.51 1.14 0.00 -0.68 0.00 0.00 175.30 175.25 2nx3 s ALA 120 N -2.84 2.21 -0.04 2.13 0.00 -1.06 -4.80 121.76 117.36 2nx3 s ALA 120 Ca 0.51 0.63 0.03 0.00 0.00 0.00 0.00 51.96 53.13 2nx3 s ALA 120 Cb -0.10 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.64 2nx3 s ALA 120 CO 0.43 -1.72 -0.12 0.08 0.00 0.00 0.00 175.76 174.44 2nx3 s VAL 121 N -2.33 1.02 -0.20 0.00 1.01 -0.00 -0.52 120.40 119.38 2nx3 s VAL 121 Ca 0.69 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 62.20 2nx3 s VAL 121 Cb -0.23 -0.91 0.03 0.00 0.00 0.00 0.00 36.38 35.27 2nx3 s VAL 121 CO 0.47 0.31 -0.16 0.21 0.00 0.00 0.00 175.10 175.93 2nx3 s ASN 122 N 0.25 3.41 -0.26 3.32 2.47 0.48 -0.71 114.94 123.90 2nx3 s ASN 122 Ca -0.05 -0.84 -0.09 0.00 0.42 0.00 0.00 52.86 52.30 2nx3 s ASN 122 Cb -0.11 -1.41 -0.04 0.00 -1.45 0.00 0.00 41.25 38.24 2nx3 s ASN 122 CO 0.01 -0.07 0.12 -0.69 -3.72 0.00 0.00 177.10 172.75 2nx3 s VAL 123 N 1.29 4.76 0.04 -5.21 1.01 -0.58 -0.72 120.40 121.00 2nx3 s VAL 123 Ca 0.01 -0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.66 2nx3 s VAL 123 Cb -0.15 -3.24 -0.06 0.00 0.00 0.00 0.00 36.38 32.93 2nx3 s VAL 123 CO -0.10 0.31 1.26 -0.54 0.00 0.00 0.00 175.10 176.03 2nx3 s LYS 124 N 1.59 4.38 -0.03 2.72 -0.14 -0.70 -0.83 119.74 126.72 2nx3 s LYS 124 Ca 0.06 1.83 -0.30 0.00 -1.36 0.00 0.00 55.97 56.21 2nx3 s LYS 124 Cb -0.15 -3.40 -0.04 0.00 -1.68 0.00 0.00 37.83 32.56 2nx3 s LYS 124 CO 0.06 -0.36 1.27 0.21 -0.76 0.00 0.00 175.35 175.77 2nx3 s LYS 125 N 1.45 4.33 0.53 1.68 2.20 0.11 -4.15 119.74 125.88 2nx3 s LYS 125 Ca 0.60 1.78 -0.22 0.00 -0.36 0.00 0.00 55.97 57.77 2nx3 s LYS 125 Cb -0.30 -3.55 -0.06 0.00 -1.51 0.00 0.00 37.83 32.40 2nx3 s LYS 125 CO 0.28 -0.49 1.16 0.41 -0.36 0.00 0.00 175.35 176.35 2nx3 n GLY 126 N 3.46 0.22 0.11 5.54 0.00 -1.24 -4.55 105.19 108.73 2nx3 n GLY 126 Ca 0.12 0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.24 2nx3 n GLY 126 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2nx3 n GLN 127 N -0.68 0.12 0.00 1.61 3.00 -1.26 -1.57 117.38 118.60 2nx3 n GLN 127 Ca 0.11 0.50 0.10 0.00 -0.01 0.00 0.00 57.00 57.70 2nx3 n GLN 127 Cb 0.44 -1.81 0.05 0.00 0.00 0.00 0.00 30.24 28.92 2nx3 n GLN 127 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.06 179.03 2nx3 n PHE 128 N -2.06 0.00 -3.45 1.08 1.16 -1.26 -1.51 117.46 111.42 2nx3 n PHE 128 Ca 0.01 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 55.21 2nx3 n PHE 128 Cb 0.11 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 37.92 2nx3 n PHE 128 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 2nx3 s LEU 129 N -2.03 4.40 0.42 5.98 2.96 -0.61 -5.07 118.68 124.73 2nx3 s LEU 129 Ca 0.21 0.88 -0.19 0.00 -0.22 0.00 0.00 54.13 54.82 2nx3 s LEU 129 Cb 0.17 -2.60 -0.10 0.00 0.50 0.00 0.00 46.19 44.16 2nx3 s LEU 129 CO 0.38 0.21 0.91 0.00 -1.32 0.00 0.00 176.35 176.53 2nx3 s ALA 130 N -0.46 3.11 0.25 5.97 0.00 -1.26 -4.90 121.76 124.47 2nx3 s ALA 130 Ca 0.24 0.27 -0.03 0.00 0.00 0.00 0.00 51.96 52.43 2nx3 s ALA 130 Cb -0.16 -3.05 0.46 0.00 0.00 0.00 0.00 23.12 20.38 2nx3 s ALA 130 CO 0.12 0.10 1.76 -1.35 0.00 0.00 0.00 175.76 176.38 2nx3 h PRO 131 N 1.77 0.55 0.00 0.00 0.11 -1.98 0.49 132.00 132.94 2nx3 h PRO 131 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2nx3 h PRO 131 Cb 1.18 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2nx3 h PRO 131 CO 0.62 0.36 0.00 -2.67 -0.21 0.00 0.00 178.00 176.10 2nx3 n TRP 132 N -4.91 0.52 0.29 0.65 2.14 -1.26 -2.39 117.44 112.48 2nx3 n TRP 132 Ca 0.15 0.20 0.15 0.00 2.07 0.00 0.00 57.50 60.07 2nx3 n TRP 132 Cb 0.39 -0.83 0.45 0.00 -0.81 0.00 0.00 31.31 30.51 2nx3 n TRP 132 CO 0.00 0.00 0.00 -0.44 2.07 0.00 0.00 177.69 179.32 2nx3 h ASP 133 N 0.00 0.00 0.73 -0.67 3.32 -1.26 -3.15 116.42 115.39 2nx3 h ASP 133 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2nx3 h ASP 133 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 2nx3 h ASP 133 CO 0.00 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 177.87 2nx3 n THR 134 N -2.97 0.83 -0.10 0.35 -2.24 -1.01 -3.17 114.28 105.98 2nx3 n THR 134 Ca 0.02 0.21 -0.07 0.00 -2.27 0.00 0.00 64.05 61.94 2nx3 n THR 134 Cb 0.40 -1.10 0.00 0.00 -2.10 0.00 0.00 70.33 67.53 2nx3 n THR 134 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2nx3 h LYS 135 N 0.00 0.34 0.00 -0.78 3.64 -1.76 -1.37 116.57 116.63 2nx3 h LYS 135 Ca 0.00 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 2nx3 h LYS 135 Cb 0.37 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 2nx3 h LYS 135 CO 0.00 0.22 -0.10 -0.91 -2.27 0.00 0.00 179.45 176.39 2nx3 h ASN 136 N 0.35 0.00 -0.12 4.20 2.35 -1.80 -1.57 115.58 118.99 2nx3 h ASN 136 Ca 0.14 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.85 2nx3 h ASN 136 Cb 0.06 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.42 2nx3 h ASN 136 CO -0.10 0.10 -0.11 0.58 -1.65 0.00 0.00 177.43 176.26 2nx3 h VAL 137 N 0.00 1.35 -0.73 2.81 2.07 -1.41 -2.29 116.25 118.05 2nx3 h VAL 137 Ca -0.00 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.26 2nx3 h VAL 137 Cb 0.30 1.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.96 2nx3 h VAL 137 CO 0.01 0.36 0.42 0.58 0.02 0.00 0.00 177.57 178.96 2nx3 h VAL 138 N -0.12 1.22 -0.90 2.57 2.07 -0.89 -1.95 116.25 118.26 2nx3 h VAL 138 Ca 0.02 -0.52 0.09 0.00 0.82 0.00 0.00 66.70 67.11 2nx3 h VAL 138 Cb 0.62 0.24 -0.07 0.00 -1.52 0.00 0.00 31.29 30.55 2nx3 h VAL 138 CO 0.03 0.24 0.54 -0.08 0.02 0.00 0.00 177.57 178.32 2nx3 h GLU 139 N 1.00 0.90 -0.41 1.57 4.81 -1.23 0.62 114.58 121.84 2nx3 h GLU 139 Ca 0.26 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.36 2nx3 h GLU 139 Cb 0.01 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 2nx3 h GLU 139 CO -0.04 0.60 -0.05 0.87 -0.73 0.00 0.00 179.01 179.66 2nx3 h LYS 140 N 0.93 0.76 -0.61 1.92 1.57 -0.98 -1.29 116.57 118.86 2nx3 h LYS 140 Ca 0.42 -0.26 -0.03 0.00 -1.87 0.00 0.00 60.65 58.91 2nx3 h LYS 140 Cb 0.32 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 2nx3 h LYS 140 CO -0.22 0.86 0.28 -0.07 -0.57 0.00 0.00 179.45 179.73 2nx3 h LEU 141 N 0.58 0.81 -0.75 2.94 3.38 -0.53 -0.47 115.31 121.27 2nx3 h LEU 141 Ca 0.11 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 2nx3 h LEU 141 Cb 0.55 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 2nx3 h LEU 141 CO 0.03 0.73 0.12 0.11 0.09 0.00 0.00 178.44 179.52 2nx3 h LYS 142 N 0.84 1.07 -0.99 1.13 1.57 -0.85 0.74 116.57 120.08 2nx3 h LYS 142 Ca 0.21 -0.27 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2nx3 h LYS 142 Cb 0.14 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.27 2nx3 h LYS 142 CO -0.02 0.97 0.64 0.35 -0.57 0.00 0.00 179.45 180.82 2nx3 h PHE 143 N 1.00 1.25 0.00 -1.35 3.57 -0.82 -0.24 116.94 120.36 2nx3 h PHE 143 Ca 0.20 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.73 2nx3 h PHE 143 Cb 0.41 -0.42 0.00 0.00 2.79 0.00 0.00 35.95 38.73 2nx3 h PHE 143 CO 0.03 0.79 0.00 0.41 -2.23 0.00 0.00 178.31 177.31 2nx3 n GLY 144 N -1.35 -0.97 0.11 2.40 0.00 -0.22 -4.87 105.19 100.28 2nx3 n GLY 144 Ca 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2nx3 n GLY 144 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nx3 n GLY 145 N 0.62 0.97 3.75 -0.02 0.00 -0.10 -3.80 105.19 106.62 2nx3 n GLY 145 Ca 0.13 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 2nx3 n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nx3 s ALA 146 N -2.00 3.37 -0.10 4.61 0.00 0.20 -4.92 121.76 122.92 2nx3 s ALA 146 Ca 0.00 0.75 0.04 0.00 0.00 0.00 0.00 51.96 52.75 2nx3 s ALA 146 Cb 0.00 -3.27 -0.08 0.00 0.00 0.00 0.00 23.12 19.77 2nx3 s ALA 146 CO 0.00 0.03 -0.04 1.63 0.00 0.00 0.00 175.76 177.38 2nx3 n LYS 147 N 1.38 1.30 -3.73 0.00 4.76 -1.26 -4.38 118.16 116.22 2nx3 n LYS 147 Ca -0.01 0.03 -0.37 0.00 -2.87 0.00 0.00 58.31 55.09 2nx3 n LYS 147 Cb 0.46 -1.21 -0.11 0.00 -1.84 0.00 0.00 35.03 32.32 2nx3 n LYS 147 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2nx3 s GLU 148 N -2.21 2.21 -0.09 1.97 2.12 -1.26 -5.07 118.70 116.36 2nx3 s GLU 148 Ca -0.10 -1.70 0.03 0.00 0.36 0.00 0.00 54.97 53.56 2nx3 s GLU 148 Cb 0.03 -3.62 -0.01 0.00 0.26 0.00 0.00 34.13 30.79 2nx3 s GLU 148 CO 0.29 -1.02 -0.17 0.42 -0.54 0.00 0.00 175.26 174.23 2nx3 s ILE 149 N 1.23 2.70 0.13 -3.70 1.01 -1.26 -0.82 121.20 120.49 2nx3 s ILE 149 Ca 0.06 -0.81 0.10 0.00 0.00 0.00 0.00 60.65 59.99 2nx3 s ILE 149 Cb -0.23 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 2nx3 s ILE 149 CO -0.02 0.55 -0.24 -0.31 0.00 0.00 0.00 174.94 174.92 2nx3 s TYR 150 N -0.01 2.10 -0.11 3.97 2.02 0.12 -3.16 117.35 122.27 2nx3 s TYR 150 Ca -0.05 -0.40 0.02 0.00 -0.37 0.00 0.00 57.07 56.27 2nx3 s TYR 150 Cb -0.15 -1.13 0.01 0.00 -0.40 0.00 0.00 41.96 40.30 2nx3 s TYR 150 CO 0.05 0.31 -0.16 -0.51 -1.57 0.00 0.00 175.55 173.67 2nx3 s LEU 151 N -2.10 1.75 -0.18 -1.29 1.43 -0.26 -1.53 118.68 116.51 2nx3 s LEU 151 Ca 0.12 -0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 52.74 2nx3 s LEU 151 Cb -0.10 -1.12 -0.02 0.00 0.03 0.00 0.00 46.19 44.99 2nx3 s LEU 151 CO 0.06 0.02 -0.02 -0.89 0.23 0.00 0.00 176.35 175.74 2nx3 s THR 152 N 0.97 3.82 -0.22 5.49 2.01 -0.01 -0.73 115.64 126.97 2nx3 s THR 152 Ca -0.07 -0.37 -0.27 0.00 0.31 0.00 0.00 61.69 61.30 2nx3 s THR 152 Cb -0.15 -2.70 -0.00 0.00 0.01 0.00 0.00 72.50 69.66 2nx3 s THR 152 CO -0.02 0.46 0.92 -0.70 -0.69 0.00 0.00 174.62 174.59 2nx3 s GLU 153 N 0.78 4.24 -0.03 4.92 2.56 0.64 -0.71 118.70 131.09 2nx3 s GLU 153 Ca -0.01 1.15 0.12 0.00 0.00 0.00 0.00 54.97 56.23 2nx3 s GLU 153 Cb -0.14 -3.63 0.21 0.00 2.00 0.00 0.00 34.13 32.57 2nx3 s GLU 153 CO 0.02 -0.53 1.09 2.89 -0.56 0.00 0.00 175.26 178.18 2nx3 n ARG 154 N 5.97 0.30 0.00 4.30 1.85 -1.26 -0.27 116.66 127.55 2nx3 n ARG 154 Ca 0.08 -1.73 0.00 0.00 -1.00 0.00 0.00 57.85 55.20 2nx3 n ARG 154 Cb 0.47 -0.56 0.00 0.00 -1.05 0.00 0.00 32.46 31.32 2nx3 n ARG 154 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2nx3 n GLY 155 N -0.12 1.69 3.00 2.89 0.00 -1.26 -3.96 105.19 107.43 2nx3 n GLY 155 Ca 0.06 -1.89 -0.17 0.00 0.00 0.00 0.00 46.02 44.01 2nx3 n GLY 155 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nx3 s THR 156 N -2.74 0.57 -0.08 2.61 2.01 0.07 -4.32 115.64 113.75 2nx3 s THR 156 Ca 0.00 -0.38 -0.36 0.00 0.31 0.00 0.00 61.69 61.26 2nx3 s THR 156 Cb 0.00 -0.49 -0.14 0.00 0.01 0.00 0.00 72.50 71.88 2nx3 s THR 156 CO 0.00 0.11 1.74 0.41 -0.69 0.00 0.00 174.62 176.20 2nx3 n THR 157 N 2.77 0.36 -3.67 -0.82 -1.04 -0.57 -1.01 114.28 110.30 2nx3 n THR 157 Ca -0.14 -0.06 -0.29 0.00 -2.04 0.00 0.00 64.05 61.51 2nx3 n THR 157 Cb 0.57 -1.55 -0.13 0.00 -1.82 0.00 0.00 70.33 67.41 2nx3 n THR 157 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 2nx3 s PHE 158 N 3.08 1.69 0.00 -1.42 5.36 -0.60 -4.85 117.98 121.25 2nx3 s PHE 158 Ca 0.91 -2.15 0.00 0.00 -0.96 0.00 0.00 56.93 54.73 2nx3 s PHE 158 Cb -0.82 -1.67 0.00 0.00 -0.34 0.00 0.00 43.02 40.19 2nx3 s PHE 158 CO 0.53 -0.81 0.00 0.41 -1.46 0.00 0.00 175.22 173.89 2nx3 n GLY 159 N 3.87 -0.58 3.87 13.12 0.00 -1.26 -4.34 105.19 119.87 2nx3 n GLY 159 Ca 0.07 -1.12 -0.33 0.00 0.00 0.00 0.00 46.02 44.64 2nx3 n GLY 159 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2nx3 s TYR 160 N 0.00 3.48 -1.11 1.61 2.02 -1.26 -4.49 117.35 117.60 2nx3 s TYR 160 Ca 0.00 0.32 -0.07 0.00 -0.37 0.00 0.00 57.07 56.95 2nx3 s TYR 160 Cb 0.00 -1.81 0.05 0.00 -0.40 0.00 0.00 41.96 39.81 2nx3 s TYR 160 CO 0.00 0.62 0.32 0.09 -1.57 0.00 0.00 175.55 175.02 2nx3 n ASN 161 N 1.04 -3.39 -3.73 2.29 4.13 -1.26 -4.94 115.26 109.40 2nx3 n ASN 161 Ca -0.12 -0.19 -0.14 0.00 1.68 0.00 0.00 54.58 55.82 2nx3 n ASN 161 Cb 0.53 -2.85 -0.09 0.00 -1.54 0.00 0.00 39.78 35.83 2nx3 n ASN 161 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 2nx3 s ASN 162 N -2.50 -0.30 0.05 6.41 2.47 -1.26 -4.14 114.94 115.68 2nx3 s ASN 162 Ca 0.28 0.36 0.08 0.00 0.42 0.00 0.00 52.86 54.00 2nx3 s ASN 162 Cb -0.15 0.49 -0.03 0.00 -1.45 0.00 0.00 41.25 40.11 2nx3 s ASN 162 CO 0.34 -0.36 -0.22 -0.76 -3.72 0.00 0.00 177.10 172.38 2nx3 s LEU 163 N -0.83 2.19 0.05 3.21 1.43 -1.26 -1.56 118.68 121.92 2nx3 s LEU 163 Ca -0.09 -0.56 0.07 0.00 -1.03 0.00 0.00 54.13 52.52 2nx3 s LEU 163 Cb -0.04 -1.02 -0.03 0.00 0.03 0.00 0.00 46.19 45.13 2nx3 s LEU 163 CO 0.04 0.17 -0.19 0.54 0.23 0.00 0.00 176.35 177.13 2nx3 s VAL 164 N -0.85 1.57 -0.37 -1.59 0.11 -0.18 -4.85 120.40 114.25 2nx3 s VAL 164 Ca 0.08 -1.23 -0.13 0.00 -2.93 0.00 0.00 61.98 57.77 2nx3 s VAL 164 Cb -0.09 -1.39 0.01 0.00 -1.53 0.00 0.00 36.38 33.38 2nx3 s VAL 164 CO 0.02 0.11 0.24 -0.69 -3.33 0.00 0.00 175.10 171.45 2nx3 s VAL 165 N -0.89 5.00 -0.75 2.04 1.01 -1.26 -0.75 120.40 124.81 2nx3 s VAL 165 Ca 0.06 -0.55 -0.18 0.00 0.00 0.00 0.00 61.98 61.31 2nx3 s VAL 165 Cb -0.09 -3.69 0.13 0.00 0.00 0.00 0.00 36.38 32.73 2nx3 s VAL 165 CO 0.02 -0.15 0.87 -0.62 0.00 0.00 0.00 175.10 175.22 2nx3 s ASP 166 N 1.65 6.43 0.00 3.32 -1.08 -1.26 -4.88 116.67 120.85 2nx3 s ASP 166 Ca 0.05 -1.82 0.01 0.00 -0.52 0.00 0.00 52.55 50.26 2nx3 s ASP 166 Cb -0.18 -2.33 0.03 0.00 -1.46 0.00 0.00 42.92 38.99 2nx3 s ASP 166 CO 0.09 -1.03 0.84 0.49 0.52 0.00 0.00 175.17 176.08 2nx3 n PHE 167 N 6.08 0.00 0.26 -5.34 3.72 -1.26 -0.84 117.46 120.08 2nx3 n PHE 167 Ca 0.06 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.60 2nx3 n PHE 167 Cb 0.46 -0.31 0.62 0.00 -0.94 0.00 0.00 39.48 39.31 2nx3 n PHE 167 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2nx3 h ARG 168 N 0.00 0.00 -0.15 -1.08 3.08 -2.03 -2.97 114.38 111.22 2nx3 h ARG 168 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 2nx3 h ARG 168 Cb 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 2nx3 h ARG 168 CO 0.00 0.11 -0.12 0.66 -1.07 0.00 0.00 179.97 179.55 2nx3 h SER 169 N 0.00 0.22 0.55 7.04 4.64 -1.41 -3.13 113.55 121.46 2nx3 h SER 169 Ca -0.00 -0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.25 2nx3 h SER 169 Cb 0.56 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.60 2nx3 h SER 169 CO 0.01 0.37 -0.31 -0.07 -0.87 0.00 0.00 176.83 175.97 2nx3 h LEU 170 N 0.23 -0.76 -1.94 5.97 4.07 -1.74 -0.36 115.31 120.78 2nx3 h LEU 170 Ca 0.05 0.04 -0.00 0.00 0.08 0.00 0.00 57.88 58.04 2nx3 h LEU 170 Cb 0.36 0.21 -0.00 0.00 1.08 0.00 0.00 40.66 42.31 2nx3 h LEU 170 CO 0.02 -0.50 -0.00 1.55 -1.08 0.00 0.00 178.44 178.43 2nx3 h PRO 171 N -0.80 0.00 0.01 1.13 0.13 -1.75 -2.41 132.00 128.30 2nx3 h PRO 171 Ca -0.07 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.02 2nx3 h PRO 171 Cb 0.64 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.77 2nx3 h PRO 171 CO 0.09 0.00 -0.15 0.82 -0.23 0.00 0.00 178.00 178.53 2nx3 h ILE 172 N 0.00 1.63 0.00 -3.56 2.04 -1.40 -3.33 117.51 112.88 2nx3 h ILE 172 Ca -0.00 -2.04 -0.08 0.00 1.00 0.00 0.00 64.86 63.74 2nx3 h ILE 172 Cb 0.35 2.97 -0.01 0.00 -0.74 0.00 0.00 36.82 39.39 2nx3 h ILE 172 CO 0.00 0.54 -0.39 0.24 0.00 0.00 0.00 178.15 178.55 2nx3 h MET 173 N -0.70 0.00 0.00 2.37 2.86 -1.01 -2.63 114.93 115.83 2nx3 h MET 173 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2nx3 h MET 173 Cb 0.97 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.63 2nx3 h MET 173 CO 0.03 0.39 0.10 -0.22 1.06 0.00 0.00 176.91 178.26 2nx3 h LYS 174 N 0.00 0.00 -0.32 1.72 1.63 -1.54 -0.30 116.57 117.75 2nx3 h LYS 174 Ca -0.00 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 2nx3 h LYS 174 Cb 0.82 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.43 2nx3 h LYS 174 CO 0.05 0.00 0.12 1.96 -3.45 0.00 0.00 179.45 178.13 2nx3 h GLN 175 N 0.00 0.45 0.00 1.90 4.20 -1.61 -3.28 115.11 116.77 2nx3 h GLN 175 Ca 0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2nx3 h GLN 175 Cb 0.20 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.89 2nx3 h GLN 175 CO 0.00 0.38 -0.89 0.91 -0.67 0.00 0.00 178.83 178.57 2nx3 n TRP 176 N -4.40 0.00 -3.81 2.96 8.01 -0.16 -5.09 117.44 114.95 2nx3 n TRP 176 Ca 0.02 0.00 -0.02 0.00 -1.31 0.00 0.00 57.50 56.19 2nx3 n TRP 176 Cb 0.14 -0.10 0.00 0.00 -2.01 0.00 0.00 31.31 29.35 2nx3 n TRP 176 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2nx3 s ALA 177 N -2.23 -1.83 0.32 6.99 0.00 -0.98 -5.01 121.76 119.02 2nx3 s ALA 177 Ca 0.00 0.02 -0.28 0.00 0.00 0.00 0.00 51.96 51.70 2nx3 s ALA 177 Cb 0.07 0.67 -0.09 0.00 0.00 0.00 0.00 23.12 23.76 2nx3 s ALA 177 CO 0.39 -1.07 1.13 0.15 0.00 0.00 0.00 175.76 176.36 2nx3 s LYS 178 N -2.50 4.43 -0.15 0.00 1.02 -1.19 -4.03 119.74 117.32 2nx3 s LYS 178 Ca 0.19 1.82 -0.04 0.00 0.02 0.00 0.00 55.97 57.96 2nx3 s LYS 178 Cb -0.01 -2.99 -0.03 0.00 -0.52 0.00 0.00 37.83 34.29 2nx3 s LYS 178 CO 0.02 0.02 -0.04 0.08 -0.92 0.00 0.00 175.35 174.51 2nx3 s VAL 179 N -1.28 3.88 -0.02 3.17 1.01 -1.26 -1.10 120.40 124.81 2nx3 s VAL 179 Ca 0.49 -0.36 0.05 0.00 0.00 0.00 0.00 61.98 62.16 2nx3 s VAL 179 Cb -0.31 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 2nx3 s VAL 179 CO 0.40 0.50 -0.17 -0.63 0.00 0.00 0.00 175.10 175.19 2nx3 s ILE 180 N 0.34 2.81 -0.26 2.22 -1.09 0.09 -0.05 121.20 125.27 2nx3 s ILE 180 Ca -0.04 -0.92 -0.09 0.00 -2.23 0.00 0.00 60.65 57.37 2nx3 s ILE 180 Cb -0.14 -2.10 -0.04 0.00 -1.58 0.00 0.00 42.46 38.59 2nx3 s ILE 180 CO 0.03 0.52 0.13 -0.47 -1.23 0.00 0.00 174.94 173.92 2nx3 s TYR 181 N -0.76 3.18 -0.68 3.97 5.04 -0.56 -0.26 117.35 127.27 2nx3 s TYR 181 Ca 0.12 -0.08 -0.24 0.00 -2.44 0.00 0.00 57.07 54.43 2nx3 s TYR 181 Cb -0.10 -2.30 0.06 0.00 0.35 0.00 0.00 41.96 39.97 2nx3 s TYR 181 CO 0.02 -0.20 1.05 0.34 -1.34 0.00 0.00 175.55 175.42 2nx3 s ASP 182 N 1.57 6.17 0.41 4.32 -1.08 0.63 -0.48 116.67 128.20 2nx3 s ASP 182 Ca 0.07 -0.85 0.21 0.00 -0.52 0.00 0.00 52.55 51.45 2nx3 s ASP 182 Cb -0.15 -2.46 0.82 0.00 -1.46 0.00 0.00 42.92 39.67 2nx3 s ASP 182 CO 0.07 -1.55 1.79 0.00 0.52 0.00 0.00 175.17 176.00 2nx3 h ALA 183 N 9.69 1.04 0.11 3.66 0.00 -1.21 -3.12 119.26 129.43 2nx3 h ALA 183 Ca -0.28 -0.28 -0.36 0.00 0.00 0.00 0.00 54.91 53.99 2nx3 h ALA 183 Cb 1.06 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2nx3 h ALA 183 CO 1.21 0.38 -1.99 -2.37 0.00 0.00 0.00 179.25 176.49 2nx3 n THR 184 N -3.52 1.77 0.42 0.00 5.66 -1.25 -4.32 114.28 113.02 2nx3 n THR 184 Ca -0.00 -0.67 0.12 0.00 -3.05 0.00 0.00 64.05 60.45 2nx3 n THR 184 Cb 0.46 -1.67 0.24 0.00 -1.55 0.00 0.00 70.33 67.81 2nx3 n THR 184 CO 0.00 0.00 0.00 0.45 -3.05 0.00 0.00 175.07 172.47 2nx3 h HIS 185 N 0.07 0.00 0.00 1.09 3.86 -1.91 -3.21 115.15 115.05 2nx3 h HIS 185 Ca -0.42 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.79 2nx3 h HIS 185 Cb 2.03 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.50 2nx3 h HIS 185 CO 0.07 0.00 0.00 0.43 0.86 0.00 0.00 177.93 179.29 2nx3 n SER 186 N -2.58 0.48 -0.32 2.45 7.64 -1.18 -1.89 113.62 118.23 2nx3 n SER 186 Ca 0.04 0.64 0.03 0.00 1.01 0.00 0.00 58.87 60.59 2nx3 n SER 186 Cb 0.48 -0.73 0.06 0.00 -1.01 0.00 0.00 64.21 63.01 2nx3 n SER 186 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2nx3 n VAL 187 N -2.05 0.67 -2.43 0.44 0.24 -1.21 -4.71 118.33 109.28 2nx3 n VAL 187 Ca 0.02 -0.84 -0.34 0.00 -2.04 0.00 0.00 64.34 61.14 2nx3 n VAL 187 Cb 0.17 0.71 -0.02 0.00 -1.47 0.00 0.00 33.84 33.23 2nx3 n VAL 187 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2nx3 s GLN 188 N -0.84 3.63 -0.57 7.34 0.74 -0.79 -1.97 119.66 127.20 2nx3 s GLN 188 Ca 0.11 1.47 0.01 0.00 0.05 0.00 0.00 55.36 56.99 2nx3 s GLN 188 Cb 0.06 -2.07 0.14 0.00 1.10 0.00 0.00 33.01 32.25 2nx3 s GLN 188 CO 0.08 -0.59 0.34 -0.51 -0.55 0.00 0.00 175.29 174.07 2nx3 s LEU 189 N -3.59 4.76 -0.04 3.68 1.43 0.19 -4.31 118.68 120.81 2nx3 s LEU 189 Ca 0.69 -2.93 -0.38 0.00 -1.03 0.00 0.00 54.13 50.48 2nx3 s LEU 189 Cb -0.20 -1.74 -0.17 0.00 0.03 0.00 0.00 46.19 44.12 2nx3 s LEU 189 CO 0.23 -0.30 1.45 -0.81 0.23 0.00 0.00 176.35 177.15 2nx3 n PRO 190 N 3.30 1.06 -0.82 1.29 -0.04 -1.26 -0.61 135.00 137.92 2nx3 n PRO 190 Ca 0.06 0.39 0.00 0.00 -0.04 0.00 0.00 63.50 63.91 2nx3 n PRO 190 Cb 0.35 -2.03 0.00 0.00 -0.04 0.00 0.00 33.50 31.78 2nx3 n PRO 190 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2nx3 n GLY 191 N 2.98 0.23 0.19 0.55 0.00 -1.26 -4.10 105.19 103.78 2nx3 n GLY 191 Ca 0.21 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.18 2nx3 n GLY 191 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2nx3 h GLY 192 N 0.00 0.21 -2.81 -0.02 0.00 -0.88 -2.31 103.07 97.25 2nx3 h GLY 192 Ca 0.00 0.16 -0.20 0.00 0.00 0.00 0.00 47.33 47.30 2nx3 h GLY 192 CO 0.00 -0.16 0.25 1.04 0.00 0.00 0.00 176.54 177.67 2nx3 n LEU 193 N -5.32 4.61 0.00 3.11 4.77 -0.02 -4.85 117.00 119.29 2nx3 n LEU 193 Ca 0.02 -2.38 0.00 0.00 -0.03 0.00 0.00 56.01 53.62 2nx3 n LEU 193 Cb 0.23 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 2nx3 n LEU 193 CO 0.15 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 2nx3 n GLY 194 N 0.01 2.12 1.03 -0.72 0.00 -0.87 -3.43 105.19 103.32 2nx3 n GLY 194 Ca 0.22 -0.08 0.05 0.00 0.00 0.00 0.00 46.02 46.20 2nx3 n GLY 194 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2nx3 n ASP 195 N 6.85 2.93 -3.93 1.61 5.75 -1.26 -4.79 116.55 123.70 2nx3 n ASP 195 Ca 0.00 -2.30 -0.09 0.00 -0.01 0.00 0.00 54.79 52.38 2nx3 n ASP 195 Cb 0.00 -0.47 -0.05 0.00 -1.03 0.00 0.00 41.12 39.57 2nx3 n ASP 195 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2nx3 s LYS 196 N -1.75 1.43 0.21 0.11 1.02 -1.22 -3.68 119.74 115.85 2nx3 s LYS 196 Ca 0.27 -1.14 0.04 0.00 0.02 0.00 0.00 55.97 55.16 2nx3 s LYS 196 Cb 0.18 0.46 -0.03 0.00 -0.52 0.00 0.00 37.83 37.93 2nx3 s LYS 196 CO 0.12 -0.59 0.33 -1.12 -0.92 0.00 0.00 175.35 173.17 2nx3 s SER 197 N -2.97 6.31 0.00 2.83 0.01 -1.26 -0.84 113.70 117.77 2nx3 s SER 197 Ca 0.18 0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.54 2nx3 s SER 197 Cb 0.00 -1.87 0.00 0.00 0.21 0.00 0.00 66.02 64.36 2nx3 s SER 197 CO 0.04 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.28 2nx3 n GLY 198 N -1.09 6.65 0.00 3.44 0.00 -0.74 -4.49 105.19 108.97 2nx3 n GLY 198 Ca -0.08 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 43.91 2nx3 n GLY 198 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nx3 n GLY 199 N 5.00 0.47 2.65 -0.02 0.00 -1.26 -0.63 105.19 111.39 2nx3 n GLY 199 Ca 0.00 -1.00 -0.29 0.00 0.00 0.00 0.00 46.02 44.73 2nx3 n GLY 199 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2nx3 s MET 200 N -2.00 1.04 0.49 1.61 -1.94 -0.83 -4.88 119.30 112.79 2nx3 s MET 200 Ca 0.00 -1.74 0.26 0.00 -1.71 0.00 0.00 55.69 52.50 2nx3 s MET 200 Cb 0.00 -2.04 1.33 0.00 2.01 0.00 0.00 34.83 36.13 2nx3 s MET 200 CO 0.00 -1.16 1.87 -0.09 -0.01 0.00 0.00 175.02 175.64 2nx3 h ARG 201 N 6.94 0.15 -0.06 2.03 2.43 -1.89 -2.06 114.38 121.92 2nx3 h ARG 201 Ca -0.01 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.17 2nx3 h ARG 201 Cb 0.95 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.46 2nx3 h ARG 201 CO 0.43 0.10 0.12 1.05 -1.51 0.00 0.00 179.97 180.16 2nx3 h GLU 202 N 0.16 0.00 -0.00 0.20 9.09 -1.94 -1.78 114.58 120.31 2nx3 h GLU 202 Ca 0.45 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.86 2nx3 h GLU 202 Cb 1.50 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.60 2nx3 h GLU 202 CO -0.08 0.00 -0.73 1.19 0.05 0.00 0.00 179.01 179.44 2nx3 n PHE 203 N -3.43 0.00 0.09 2.06 3.72 -0.77 -4.55 117.46 114.57 2nx3 n PHE 203 Ca -0.01 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.24 2nx3 n PHE 203 Cb 0.21 -0.08 -0.08 0.00 -0.94 0.00 0.00 39.48 38.58 2nx3 n PHE 203 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 2nx3 h ILE 204 N 0.39 0.09 0.18 4.37 2.04 -1.45 -2.46 117.51 120.66 2nx3 h ILE 204 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 2nx3 h ILE 204 Cb 0.53 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 2nx3 h ILE 204 CO 0.00 0.00 -0.09 0.15 0.00 0.00 0.00 178.15 178.21 2nx3 h PHE 205 N -0.66 -0.22 -0.70 1.37 3.57 -1.80 -2.34 116.94 116.16 2nx3 h PHE 205 Ca 0.02 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.67 2nx3 h PHE 205 Cb 0.70 0.07 -0.12 0.00 2.79 0.00 0.00 35.95 39.40 2nx3 h PHE 205 CO -0.43 -0.04 0.01 -1.35 -2.23 0.00 0.00 178.31 174.27 2nx3 h PRO 206 N -0.36 0.12 0.00 6.41 0.11 -1.80 0.03 132.00 136.50 2nx3 h PRO 206 Ca -0.02 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.00 2nx3 h PRO 206 Cb 0.28 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 2nx3 h PRO 206 CO 0.04 0.08 -0.39 -0.07 -0.21 0.00 0.00 178.00 177.45 2nx3 h LEU 207 N 0.12 0.00 -0.86 2.35 3.38 -1.39 -2.45 115.31 116.45 2nx3 h LEU 207 Ca 0.38 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.28 2nx3 h LEU 207 Cb 0.65 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 2nx3 h LEU 207 CO -0.61 0.39 0.03 0.40 0.09 0.00 0.00 178.44 178.75 2nx3 h ILE 208 N 0.00 1.25 -0.43 1.22 2.04 -0.45 -0.34 117.51 120.80 2nx3 h ILE 208 Ca -0.00 -1.01 -0.09 0.00 1.00 0.00 0.00 64.86 64.76 2nx3 h ILE 208 Cb 0.92 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 2nx3 h ILE 208 CO 0.05 0.36 -0.09 0.03 0.00 0.00 0.00 178.15 178.50 2nx3 h ARG 209 N 0.83 0.83 -0.29 2.37 3.08 -1.06 -1.84 114.38 118.30 2nx3 h ARG 209 Ca 0.16 -0.31 0.01 0.00 0.07 0.00 0.00 59.98 59.91 2nx3 h ARG 209 Cb 0.44 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 2nx3 h ARG 209 CO 0.02 0.94 0.17 0.00 -1.07 0.00 0.00 179.97 180.02 2nx3 h ALA 210 N 0.86 0.36 -0.44 0.04 0.00 -1.09 0.90 119.26 119.89 2nx3 h ALA 210 Ca 0.11 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.08 2nx3 h ALA 210 Cb 0.63 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 2nx3 h ALA 210 CO 0.04 -0.21 0.14 0.00 0.00 0.00 0.00 179.25 179.22 2nx3 h ALA 211 N 1.13 0.52 -0.15 0.00 0.00 -0.85 0.44 119.26 120.34 2nx3 h ALA 211 Ca 0.11 0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.92 2nx3 h ALA 211 Cb 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2nx3 h ALA 211 CO -0.05 -0.26 -0.60 0.28 0.00 0.00 0.00 179.25 178.62 2nx3 h VAL 212 N 0.29 1.34 -0.49 0.00 2.07 -1.00 0.30 116.25 118.76 2nx3 h VAL 212 Ca 0.21 -1.89 -0.04 0.00 0.82 0.00 0.00 66.70 65.80 2nx3 h VAL 212 Cb 0.23 1.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 2nx3 h VAL 212 CO -0.24 0.58 0.14 0.00 0.02 0.00 0.00 177.57 178.08 2nx3 h ALA 213 N 0.97 0.64 -0.01 1.67 0.00 -0.43 -2.95 119.26 119.15 2nx3 h ALA 213 Ca -0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2nx3 h ALA 213 Cb 1.15 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 2nx3 h ALA 213 CO 0.11 0.31 0.00 0.28 0.00 0.00 0.00 179.25 179.95 2nx3 h VAL 214 N 0.66 1.25 0.00 0.00 2.07 -0.82 -3.47 116.25 115.95 2nx3 h VAL 214 Ca 0.16 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.95 2nx3 h VAL 214 Cb 0.29 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 2nx3 h VAL 214 CO -0.00 0.19 0.00 0.61 0.02 0.00 0.00 177.57 178.39 2nx3 n GLY 215 N -0.26 3.41 3.61 2.17 0.00 0.10 -4.87 105.19 109.35 2nx3 n GLY 215 Ca -0.08 -1.05 -0.09 0.00 0.00 0.00 0.00 46.02 44.80 2nx3 n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nx3 n ASP 217 N -0.38 2.12 0.00 0.00 8.00 0.93 -4.99 116.55 122.23 2nx3 n ASP 217 Ca -0.03 -1.65 0.00 0.00 0.71 0.00 0.00 54.79 53.82 2nx3 n ASP 217 Cb 0.62 0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.77 2nx3 n ASP 217 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2nx3 n GLY 218 N 1.28 0.96 3.12 0.44 0.00 -1.14 -2.05 105.19 107.80 2nx3 n GLY 218 Ca 0.15 -0.88 -0.23 0.00 0.00 0.00 0.00 46.02 45.06 2nx3 n GLY 218 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nx3 s VAL 219 N -2.00 1.21 -0.22 1.61 1.01 0.16 -1.50 120.40 120.67 2nx3 s VAL 219 Ca 0.00 -0.64 -0.05 0.00 0.00 0.00 0.00 61.98 61.30 2nx3 s VAL 219 Cb 0.00 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 2nx3 s VAL 219 CO 0.00 0.35 -0.01 0.12 0.00 0.00 0.00 175.10 175.55 2nx3 s PHE 220 N -0.23 3.00 -0.12 5.22 5.36 0.37 -0.86 117.98 130.72 2nx3 s PHE 220 Ca 0.03 -0.72 -0.06 0.00 -0.96 0.00 0.00 56.93 55.22 2nx3 s PHE 220 Cb -0.07 -2.12 0.05 0.00 -0.34 0.00 0.00 43.02 40.54 2nx3 s PHE 220 CO 0.00 -0.43 0.27 0.00 -1.46 0.00 0.00 175.22 173.60 2nx3 s MET 221 N 1.36 0.22 0.21 10.12 0.23 0.13 -0.71 119.30 130.86 2nx3 s MET 221 Ca 0.04 0.61 -0.21 0.00 -1.03 0.00 0.00 55.69 55.11 2nx3 s MET 221 Cb -0.14 -0.09 -0.08 0.00 -1.53 0.00 0.00 34.83 32.99 2nx3 s MET 221 CO -0.01 -0.19 0.73 -1.21 -2.03 0.00 0.00 175.02 172.32 2nx3 s GLU 222 N 1.53 4.31 0.30 3.16 2.02 -1.26 -3.34 118.70 125.43 2nx3 s GLU 222 Ca -0.07 0.93 0.03 0.00 0.02 0.00 0.00 54.97 55.87 2nx3 s GLU 222 Cb -0.10 -2.96 -0.05 0.00 0.10 0.00 0.00 34.13 31.11 2nx3 s GLU 222 CO -0.09 0.43 0.09 -0.08 0.02 0.00 0.00 175.26 175.63 2nx3 s THR 223 N -1.44 0.81 -0.29 3.63 -1.32 -0.08 -1.78 115.64 115.17 2nx3 s THR 223 Ca 0.41 -2.00 -0.22 0.00 -1.21 0.00 0.00 61.69 58.67 2nx3 s THR 223 Cb -0.18 -2.67 0.14 0.00 -1.51 0.00 0.00 72.50 68.28 2nx3 s THR 223 CO 0.22 0.00 1.08 -2.28 -2.21 0.00 0.00 174.62 171.43 2nx3 s HIS 224 N -3.51 -0.43 0.55 9.09 2.46 -0.70 -3.58 115.29 119.17 2nx3 s HIS 224 Ca 0.36 0.97 0.23 0.00 0.47 0.00 0.00 55.06 57.09 2nx3 s HIS 224 Cb 0.08 0.36 1.45 0.00 -0.13 0.00 0.00 32.58 34.34 2nx3 s HIS 224 CO 0.15 -0.21 2.09 -1.35 -2.47 0.00 0.00 174.74 172.95 2nx3 h PRO 225 N 4.64 0.00 -2.10 2.88 0.11 -1.95 -2.63 132.00 132.94 2nx3 h PRO 225 Ca -0.28 0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.36 2nx3 h PRO 225 Cb 1.18 0.00 -0.33 0.00 0.11 0.00 0.00 31.00 31.96 2nx3 h PRO 225 CO 0.15 0.00 -0.81 -1.21 -0.21 0.00 0.00 178.00 175.92 2nx3 s GLU 226 N -4.91 0.79 0.25 1.05 2.02 -1.26 -4.67 118.70 111.97 2nx3 s GLU 226 Ca -0.05 -1.48 -0.05 0.00 0.02 0.00 0.00 54.97 53.41 2nx3 s GLU 226 Cb 0.17 -1.01 0.48 0.00 0.10 0.00 0.00 34.13 33.87 2nx3 s GLU 226 CO 0.65 -1.30 1.66 -1.35 0.02 0.00 0.00 175.26 174.95 2nx3 h PRO 227 N 6.19 0.20 -0.45 0.39 0.11 -1.85 -1.03 132.00 135.56 2nx3 h PRO 227 Ca 0.14 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 66.36 2nx3 h PRO 227 Cb 0.99 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 2nx3 h PRO 227 CO 0.25 0.13 0.32 1.05 -0.21 0.00 0.00 178.00 179.54 2nx3 h GLU 228 N 0.21 0.03 -0.00 1.05 9.09 -1.91 -1.18 114.58 121.86 2nx3 h GLU 228 Ca 0.43 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.84 2nx3 h GLU 228 Cb 0.76 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.85 2nx3 h GLU 228 CO -0.57 0.02 -0.40 1.63 0.05 0.00 0.00 179.01 179.74 2nx3 n LYS 229 N -4.41 0.45 -1.64 1.06 5.02 -0.40 -4.94 118.16 113.30 2nx3 n LYS 229 Ca 0.08 -0.28 -0.46 0.00 -2.02 0.00 0.00 58.31 55.63 2nx3 n LYS 229 Cb 0.50 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.99 2nx3 n LYS 229 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2nx3 n ALA 230 N -1.03 0.47 1.68 7.82 0.00 -0.45 -4.85 120.51 124.15 2nx3 n ALA 230 Ca 0.09 0.42 0.10 0.00 0.00 0.00 0.00 53.44 54.06 2nx3 n ALA 230 Cb 0.35 -2.18 0.62 0.00 0.00 0.00 0.00 19.45 18.23 2nx3 n ALA 230 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2nx3 n LEU 231 N 2.02 0.00 -3.64 0.00 4.77 -1.26 -4.29 117.00 114.60 2nx3 n LEU 231 Ca 0.12 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 56.04 2nx3 n LEU 231 Cb 0.30 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.32 2nx3 n LEU 231 CO 0.62 0.00 0.43 -0.55 -1.33 0.00 0.00 177.39 176.56 2nx3 s SER 232 N -1.82 -0.83 -1.42 -1.43 0.15 -1.26 -4.47 113.70 102.62 2nx3 s SER 232 Ca 0.31 1.35 -0.11 0.00 0.70 0.00 0.00 55.95 58.21 2nx3 s SER 232 Cb 0.14 1.34 0.04 0.00 -1.71 0.00 0.00 66.02 65.84 2nx3 s SER 232 CO 0.24 -0.21 1.11 0.47 1.20 0.00 0.00 173.24 176.05 2nx3 n ASP 233 N 4.03 -5.77 -0.18 5.45 8.00 -1.26 -4.84 116.55 121.98 2nx3 n ASP 233 Ca -0.19 -0.63 -0.01 0.00 0.71 0.00 0.00 54.79 54.67 2nx3 n ASP 233 Cb 0.58 -4.63 0.09 0.00 -0.02 0.00 0.00 41.12 37.15 2nx3 n ASP 233 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2nx3 h ALA 234 N 1.00 0.70 0.00 2.24 0.00 -1.79 -1.83 119.26 119.58 2nx3 h ALA 234 Ca -0.57 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2nx3 h ALA 234 Cb 1.37 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2nx3 h ALA 234 CO 0.60 -0.22 0.00 -0.35 0.00 0.00 0.00 179.25 179.28 2nx3 n PRO 235 N -5.02 0.15 0.00 0.00 -0.04 -1.26 -2.58 135.00 126.25 2nx3 n PRO 235 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 2nx3 n PRO 235 Cb 0.25 -1.01 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 2nx3 n PRO 235 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2nx3 n THR 236 N -0.32 0.00 -1.75 0.52 -2.24 -0.70 -3.90 114.28 105.89 2nx3 n THR 236 Ca 0.00 -0.04 -0.42 0.00 -2.27 0.00 0.00 64.05 61.33 2nx3 n THR 236 Cb 0.01 0.52 -0.02 0.00 -2.10 0.00 0.00 70.33 68.74 2nx3 n THR 236 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2nx3 n ALA 237 N -0.19 2.67 -2.65 6.98 0.00 -1.06 -4.88 120.51 121.36 2nx3 n ALA 237 Ca 0.00 0.37 -0.38 0.00 0.00 0.00 0.00 53.44 53.43 2nx3 n ALA 237 Cb 0.00 -2.48 -0.06 0.00 0.00 0.00 0.00 19.45 16.91 2nx3 n ALA 237 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2nx3 s LEU 238 N -0.38 4.33 0.11 0.00 2.96 -0.73 -4.74 118.68 120.22 2nx3 s LEU 238 Ca 0.65 0.87 -0.35 0.00 -0.22 0.00 0.00 54.13 55.08 2nx3 s LEU 238 Cb -0.49 -2.69 -0.14 0.00 0.50 0.00 0.00 46.19 43.38 2nx3 s LEU 238 CO 0.47 0.07 1.58 -2.65 -1.32 0.00 0.00 176.35 174.50 2nx3 n PRO 239 N 3.23 1.97 -0.29 0.98 -0.02 -1.26 -1.72 135.00 137.89 2nx3 n PRO 239 Ca -0.08 0.71 0.29 0.00 -2.02 0.00 0.00 63.50 62.40 2nx3 n PRO 239 Cb 0.52 -2.47 0.66 0.00 -0.02 0.00 0.00 33.50 32.19 2nx3 n PRO 239 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2nx3 h LEU 240 N 6.12 0.15 -0.61 2.45 5.85 -1.74 0.71 115.31 128.24 2nx3 h LEU 240 Ca -0.46 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.29 2nx3 h LEU 240 Cb 1.27 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.30 2nx3 h LEU 240 CO 0.88 0.03 0.00 0.77 -0.34 0.00 0.00 178.44 179.78 2nx3 h SER 241 N 0.14 0.00 0.77 1.25 4.64 -1.89 -3.14 113.55 115.32 2nx3 h SER 241 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 2nx3 h SER 241 Cb 1.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.95 2nx3 h SER 241 CO -0.10 0.00 -0.56 0.00 -0.87 0.00 0.00 176.83 175.30 2nx3 n GLN 242 N -2.43 0.20 -0.06 4.77 6.02 0.24 -4.35 117.38 121.76 2nx3 n GLN 242 Ca 0.03 0.06 -0.07 0.00 -0.01 0.00 0.00 57.00 57.01 2nx3 n GLN 242 Cb 0.31 -1.63 -0.01 0.00 1.02 0.00 0.00 30.24 29.93 2nx3 n GLN 242 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2nx3 h LEU 243 N 0.00 -0.40 0.04 1.08 4.07 -1.64 -2.69 115.31 115.78 2nx3 h LEU 243 Ca 0.00 0.10 0.03 0.00 0.08 0.00 0.00 57.88 58.09 2nx3 h LEU 243 Cb 0.67 0.23 -0.05 0.00 1.08 0.00 0.00 40.66 42.59 2nx3 h LEU 243 CO 0.00 -0.15 -0.31 -0.08 -1.08 0.00 0.00 178.44 176.82 2nx3 h GLU 244 N -0.08 -0.46 -0.91 1.13 4.81 -1.82 -0.59 114.58 116.66 2nx3 h GLU 244 Ca 0.14 0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.47 2nx3 h GLU 244 Cb 0.29 0.11 -0.06 0.00 0.63 0.00 0.00 28.75 29.71 2nx3 h GLU 244 CO -0.32 -0.31 0.59 0.78 -0.73 0.00 0.00 179.01 179.03 2nx3 h GLY 245 N -0.48 1.34 0.92 1.92 0.00 -1.81 -1.00 103.07 103.96 2nx3 h GLY 245 Ca 0.05 -0.41 -0.08 0.00 0.00 0.00 0.00 47.33 46.89 2nx3 h GLY 245 CO -0.24 0.29 -0.11 -2.22 0.00 0.00 0.00 176.54 174.26 2nx3 h ILE 246 N 1.02 1.28 -0.53 2.60 2.04 -1.09 -1.49 117.51 121.34 2nx3 h ILE 246 Ca 0.40 -1.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.06 2nx3 h ILE 246 Cb 0.23 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 2nx3 h ILE 246 CO -0.15 0.38 0.30 0.40 0.00 0.00 0.00 178.15 179.08 2nx3 h ILE 247 N 0.42 1.18 -0.85 -0.67 2.04 -0.70 -0.99 117.51 117.93 2nx3 h ILE 247 Ca 0.08 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 2nx3 h ILE 247 Cb 0.62 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 2nx3 h ILE 247 CO 0.04 0.19 0.49 -0.08 0.00 0.00 0.00 178.15 178.78 2nx3 h GLU 248 N 0.71 1.17 -0.38 2.37 4.57 -1.10 -1.97 114.58 119.96 2nx3 h GLU 248 Ca 0.19 -0.12 -0.15 0.00 -1.18 0.00 0.00 59.36 58.10 2nx3 h GLU 248 Cb 0.04 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 28.38 2nx3 h GLU 248 CO -0.03 0.84 -0.34 0.00 -1.18 0.00 0.00 179.01 178.30 2nx3 h ALA 249 N 1.35 0.68 -0.08 2.92 0.00 -0.76 -2.66 119.26 120.71 2nx3 h ALA 249 Ca 0.30 -0.43 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 2nx3 h ALA 249 Cb -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2nx3 h ALA 249 CO -0.05 0.67 -0.59 -0.84 0.00 0.00 0.00 179.25 178.43 2nx3 h ILE 250 N 0.72 1.38 -0.29 0.00 -0.00 -0.89 -1.60 117.51 116.83 2nx3 h ILE 250 Ca 0.07 -1.95 -0.13 0.00 -0.00 0.00 0.00 64.86 62.85 2nx3 h ILE 250 Cb 0.91 1.97 -0.01 0.00 -0.00 0.00 0.00 36.82 39.69 2nx3 h ILE 250 CO 0.08 0.58 -0.34 -0.07 -0.00 0.00 0.00 178.15 178.40 2nx3 h LEU 251 N 0.20 0.66 0.23 0.16 3.38 -1.34 0.19 115.31 118.80 2nx3 h LEU 251 Ca -0.00 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 2nx3 h LEU 251 Cb 1.10 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.67 2nx3 h LEU 251 CO 0.09 0.95 -0.11 -0.33 0.09 0.00 0.00 178.44 179.13 2nx3 h GLU 252 N 0.54 -0.30 -0.41 1.13 5.08 -1.33 -1.59 114.58 117.69 2nx3 h GLU 252 Ca 0.06 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.46 2nx3 h GLU 252 Cb 0.84 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.12 2nx3 h GLU 252 CO 0.07 0.02 0.23 0.82 -1.00 0.00 0.00 179.01 179.15 2nx3 h ILE 253 N -0.66 1.01 -0.64 3.13 2.04 -1.27 -1.83 117.51 119.28 2nx3 h ILE 253 Ca -0.03 -0.16 0.10 0.00 1.00 0.00 0.00 64.86 65.77 2nx3 h ILE 253 Cb 0.47 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 2nx3 h ILE 253 CO 0.05 0.08 0.43 -0.09 0.00 0.00 0.00 178.15 178.63 2nx3 h ARG 254 N 0.46 0.46 -0.35 2.37 2.43 -0.57 -0.90 114.38 118.28 2nx3 h ARG 254 Ca 0.17 -0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 59.18 2nx3 h ARG 254 Cb 0.05 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 2nx3 h ARG 254 CO -0.10 0.31 -0.31 1.49 -1.51 0.00 0.00 179.97 179.84 2nx3 h GLU 255 N 0.48 0.83 0.00 0.20 4.81 -0.44 -0.25 114.58 120.21 2nx3 h GLU 255 Ca 0.30 -0.42 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 2nx3 h GLU 255 Cb 0.53 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.92 2nx3 h GLU 255 CO -0.09 1.06 -0.30 0.28 -0.73 0.00 0.00 179.01 179.23 2nx3 n VAL 256 N -4.17 0.48 -0.05 0.32 0.31 -0.89 -4.09 118.33 110.24 2nx3 n VAL 256 Ca -0.03 -0.28 -0.02 0.00 -0.01 0.00 0.00 64.34 64.00 2nx3 n VAL 256 Cb 0.50 -0.37 -0.11 0.00 -0.91 0.00 0.00 33.84 32.95 2nx3 n VAL 256 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2nx3 n ALA 257 N -1.81 1.97 0.19 3.52 0.00 -0.39 -4.45 120.51 119.55 2nx3 n ALA 257 Ca 0.04 -0.71 0.11 0.00 0.00 0.00 0.00 53.44 52.89 2nx3 n ALA 257 Cb 0.43 -0.20 0.60 0.00 0.00 0.00 0.00 19.45 20.29 2nx3 n ALA 257 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2nx3 h SER 258 N 0.00 0.00 0.57 0.00 4.64 -1.18 0.62 113.55 118.20 2nx3 h SER 258 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 2nx3 h SER 258 Cb 1.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 2nx3 h SER 258 CO 0.01 0.00 -0.01 1.17 -0.87 0.00 0.00 176.83 177.13 2nx3 n LYS 259 N -2.33 0.43 -0.01 4.77 4.81 -1.26 -3.40 118.16 121.17 2nx3 n LYS 259 Ca -0.01 -0.01 0.01 0.00 -0.87 0.00 0.00 58.31 57.42 2nx3 n LYS 259 Cb 0.15 -1.50 0.01 0.00 0.02 0.00 0.00 35.03 33.71 2nx3 n LYS 259 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2nx3 n TYR 260 N -1.28 0.03 -2.16 5.64 4.01 0.22 -5.03 117.16 118.59 2nx3 n TYR 260 Ca 0.14 -0.25 -0.42 0.00 -0.16 0.00 0.00 57.90 57.22 2nx3 n TYR 260 Cb 0.25 -0.02 -0.03 0.00 -0.31 0.00 0.00 39.34 39.22 2nx3 n TYR 260 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 2nx3 s TYR 261 N -0.55 3.23 0.57 -0.72 2.02 -1.20 -4.98 117.35 115.71 2nx3 s TYR 261 Ca 0.02 0.97 -0.19 0.00 -0.37 0.00 0.00 57.07 57.51 2nx3 s TYR 261 Cb 0.01 -3.69 -0.05 0.00 -0.40 0.00 0.00 41.96 37.84 2nx3 s TYR 261 CO 0.02 -2.38 1.13 -1.21 -1.57 0.00 0.00 175.55 171.54 2nx3 s GLU 262 N 0.91 3.23 -0.16 -0.62 8.01 -1.26 -4.89 118.70 123.92 2nx3 s GLU 262 Ca 0.64 1.58 -0.39 0.00 0.01 0.00 0.00 54.97 56.80 2nx3 s GLU 262 Cb -0.37 -1.99 -0.16 0.00 -4.31 0.00 0.00 34.13 27.30 2nx3 s GLU 262 CO 0.32 -0.94 1.61 2.41 0.01 0.00 0.00 175.26 178.66 2nx3 n THR 263 N -1.53 0.20 0.00 3.63 -1.04 -1.26 -5.17 114.28 109.12 2nx3 n THR 263 Ca 0.11 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 2nx3 n THR 263 Cb 0.51 -1.08 0.00 0.00 -1.82 0.00 0.00 70.33 67.94 2nx3 n THR 263 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43