#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 2.70 -0.21 5.64 5.36 -1.25 -4.66 117.98 125.56 2nx3 s PHE 4 Ca 0.00 1.19 -0.11 0.00 -0.96 0.00 0.00 56.93 57.05 2nx3 s PHE 4 Cb 0.00 -3.95 -0.05 0.00 -0.34 0.00 0.00 43.02 38.68 2nx3 s PHE 4 CO 0.00 -2.79 0.19 -1.17 -1.46 0.00 0.00 175.22 170.00 2nx3 s LEU 5 N -1.90 4.17 -0.26 6.12 2.96 -0.90 -0.68 118.68 128.19 2nx3 s LEU 5 Ca 0.53 0.25 0.01 0.00 -0.22 0.00 0.00 54.13 54.70 2nx3 s LEU 5 Cb -0.45 -2.18 0.05 0.00 0.50 0.00 0.00 46.19 44.11 2nx3 s LEU 5 CO 0.60 0.10 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.94 2nx3 s VAL 6 N 0.76 2.45 -0.27 1.68 1.01 -0.21 -0.86 120.40 124.96 2nx3 s VAL 6 Ca 0.10 -1.41 -0.11 0.00 0.00 0.00 0.00 61.98 60.57 2nx3 s VAL 6 Cb -0.13 -2.36 -0.05 0.00 0.00 0.00 0.00 36.38 33.85 2nx3 s VAL 6 CO 0.02 0.05 0.17 -0.63 0.00 0.00 0.00 175.10 174.72 2nx3 s ILE 7 N 1.19 5.22 0.07 2.22 1.01 -0.13 -1.13 121.20 129.65 2nx3 s ILE 7 Ca -0.05 0.14 -0.09 0.00 0.00 0.00 0.00 60.65 60.65 2nx3 s ILE 7 Cb -0.19 -3.48 0.00 0.00 0.01 0.00 0.00 42.46 38.81 2nx3 s ILE 7 CO -0.05 0.27 0.19 0.00 0.00 0.00 0.00 174.94 175.35 2nx3 s ALA 8 N 1.64 -0.27 0.00 9.38 0.00 -0.34 -0.38 121.76 131.78 2nx3 s ALA 8 Ca 0.07 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.54 2nx3 s ALA 8 Cb -0.16 0.40 0.00 0.00 0.00 0.00 0.00 23.12 23.36 2nx3 s ALA 8 CO 0.09 -0.45 0.00 0.41 0.00 0.00 0.00 175.76 175.82 2nx3 n GLY 9 N 0.25 -0.45 3.79 0.00 0.00 -1.19 -0.41 105.19 107.17 2nx3 n GLY 9 Ca -0.17 -1.36 -0.36 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.92 4.33 0.14 1.61 0.04 -1.20 -0.63 135.00 137.38 2nx3 s PRO 10 Ca 0.00 1.39 -0.23 0.00 0.04 0.00 0.00 61.00 62.20 2nx3 s PRO 10 Cb 0.00 -2.59 0.01 0.00 0.04 0.00 0.00 34.50 31.96 2nx3 s PRO 10 CO 0.00 0.03 1.63 -0.97 0.04 0.00 0.00 177.00 177.73 2nx3 h ASN 11 N 2.67 -0.81 -2.51 6.66 -1.24 -1.84 -3.36 115.58 115.16 2nx3 h ASN 11 Ca -0.48 0.14 -0.61 0.00 0.71 0.00 0.00 56.30 56.05 2nx3 h ASN 11 Cb 1.20 0.37 -0.14 0.00 0.73 0.00 0.00 38.32 40.48 2nx3 h ASN 11 CO 0.63 -0.30 -0.75 0.00 -1.29 0.00 0.00 177.43 175.72 2nx3 s ALA 12 N -6.06 2.79 -1.31 1.57 0.00 -1.26 -1.20 121.76 116.28 2nx3 s ALA 12 Ca -0.15 -1.75 -0.15 0.00 0.00 0.00 0.00 51.96 49.91 2nx3 s ALA 12 Cb 0.11 -0.40 0.10 0.00 0.00 0.00 0.00 23.12 22.93 2nx3 s ALA 12 CO 0.67 0.33 1.79 -0.89 0.00 0.00 0.00 175.76 177.67 2nx3 n ILE 13 N -0.40 3.97 0.16 0.00 5.41 -0.46 -4.77 119.36 123.28 2nx3 n ILE 13 Ca -0.07 -4.06 0.06 0.00 1.00 0.00 0.00 62.75 59.67 2nx3 n ILE 13 Cb 0.58 -2.44 0.52 0.00 -0.71 0.00 0.00 39.64 37.60 2nx3 n ILE 13 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2nx3 h GLU 14 N 6.85 0.18 -1.76 0.38 5.08 -1.96 -3.42 114.58 119.93 2nx3 h GLU 14 Ca 0.44 -0.02 0.21 0.00 -1.00 0.00 0.00 59.36 58.99 2nx3 h GLU 14 Cb 0.78 -0.04 -0.17 0.00 0.50 0.00 0.00 28.75 29.83 2nx3 h GLU 14 CO 1.53 0.19 0.70 -1.54 -1.00 0.00 0.00 179.01 178.89 2nx3 s SER 15 N -6.93 -0.20 0.39 1.42 1.04 -1.26 -5.00 113.70 103.16 2nx3 s SER 15 Ca -0.06 -0.03 0.17 0.00 0.48 0.00 0.00 55.95 56.51 2nx3 s SER 15 Cb 0.17 0.24 0.78 0.00 0.10 0.00 0.00 66.02 67.30 2nx3 s SER 15 CO 0.70 -0.39 1.81 -0.08 0.98 0.00 0.00 173.24 176.26 2nx3 h GLU 16 N 2.00 0.00 -0.56 4.02 4.81 -1.96 -2.87 114.58 120.03 2nx3 h GLU 16 Ca -0.16 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.98 2nx3 h GLU 16 Cb 1.20 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 2nx3 h GLU 16 CO 0.26 0.36 0.00 1.49 -0.73 0.00 0.00 179.01 180.39 2nx3 h GLU 17 N 0.00 0.99 -0.50 1.92 4.81 -1.99 -2.52 114.58 117.29 2nx3 h GLU 17 Ca -0.00 -0.31 -0.08 0.00 -0.13 0.00 0.00 59.36 58.83 2nx3 h GLU 17 Cb 0.75 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 2nx3 h GLU 17 CO 0.05 0.99 -0.01 1.25 -0.73 0.00 0.00 179.01 180.55 2nx3 h LEU 18 N 0.87 0.81 -0.72 1.64 5.85 -1.90 -2.47 115.31 119.39 2nx3 h LEU 18 Ca 0.16 -0.21 -0.08 0.00 0.84 0.00 0.00 57.88 58.59 2nx3 h LEU 18 Cb 0.54 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 2nx3 h LEU 18 CO 0.03 0.88 0.06 -0.07 -0.34 0.00 0.00 178.44 179.00 2nx3 h LEU 19 N 0.78 1.00 -0.91 2.25 4.07 -1.40 -1.53 115.31 119.56 2nx3 h LEU 19 Ca 0.15 -0.25 -0.11 0.00 0.08 0.00 0.00 57.88 57.74 2nx3 h LEU 19 Cb 0.48 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.94 2nx3 h LEU 19 CO 0.02 1.02 -0.54 -0.07 -1.08 0.00 0.00 178.44 177.79 2nx3 h LEU 20 N 0.97 0.01 -0.06 1.67 3.38 -1.30 0.42 115.31 120.40 2nx3 h LEU 20 Ca 0.19 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 2nx3 h LEU 20 Cb 0.47 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 2nx3 h LEU 20 CO 0.02 0.55 -0.06 0.50 0.09 0.00 0.00 178.44 179.54 2nx3 h LYS 21 N 0.00 0.14 -0.37 1.13 3.64 -1.13 -0.82 116.57 119.18 2nx3 h LYS 21 Ca -0.01 -0.08 -0.14 0.00 -1.27 0.00 0.00 60.65 59.16 2nx3 h LYS 21 Cb 0.96 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 2nx3 h LYS 21 CO 0.07 0.59 -0.34 0.28 -2.27 0.00 0.00 179.45 177.78 2nx3 h VAL 22 N -0.30 1.28 -0.74 2.00 2.07 -1.19 -3.05 116.25 116.32 2nx3 h VAL 22 Ca 0.01 -1.51 0.00 0.00 0.82 0.00 0.00 66.70 66.02 2nx3 h VAL 22 Cb 0.57 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.66 2nx3 h VAL 22 CO 0.01 0.50 0.47 1.23 0.02 0.00 0.00 177.57 179.81 2nx3 h GLY 23 N 0.88 1.05 1.12 2.17 0.00 -0.10 0.43 103.07 108.62 2nx3 h GLY 23 Ca 0.07 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2nx3 h GLY 23 CO 0.08 0.40 0.57 -2.09 0.00 0.00 0.00 176.54 175.49 2nx3 h GLU 24 N 1.00 1.17 -0.09 4.80 4.57 -1.04 0.21 114.58 125.21 2nx3 h GLU 24 Ca 0.27 -0.08 -0.15 0.00 -1.18 0.00 0.00 59.36 58.22 2nx3 h GLU 24 Cb -0.09 -0.26 0.01 0.00 -0.16 0.00 0.00 28.75 28.25 2nx3 h GLU 24 CO -0.06 0.79 -0.53 1.49 -1.18 0.00 0.00 179.01 179.52 2nx3 h GLU 25 N 1.20 0.52 -0.96 1.92 4.57 -1.27 -1.74 114.58 118.82 2nx3 h GLU 25 Ca 0.32 -0.44 0.01 0.00 -1.18 0.00 0.00 59.36 58.07 2nx3 h GLU 25 Cb -0.11 0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.53 2nx3 h GLU 25 CO -0.07 1.07 0.62 0.82 -1.18 0.00 0.00 179.01 180.28 2nx3 h ILE 26 N 0.12 1.25 -0.57 2.32 1.08 -0.48 -0.56 117.51 120.67 2nx3 h ILE 26 Ca -0.04 -0.47 -0.01 0.00 -0.39 0.00 0.00 64.86 63.95 2nx3 h ILE 26 Cb 1.18 -0.15 -0.03 0.00 -3.07 0.00 0.00 36.82 34.76 2nx3 h ILE 26 CO 0.11 0.24 0.32 0.50 -0.69 0.00 0.00 178.15 178.63 2nx3 h LYS 27 N 1.30 0.79 -0.36 2.37 1.63 -0.54 0.43 116.57 122.18 2nx3 h LYS 27 Ca 0.35 -0.09 0.02 0.00 -0.85 0.00 0.00 60.65 60.08 2nx3 h LYS 27 Cb -0.13 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 31.31 2nx3 h LYS 27 CO -0.07 0.60 0.19 -0.09 -3.45 0.00 0.00 179.45 176.63 2nx3 h ARG 28 N 0.77 0.38 -0.51 1.90 2.43 -0.30 -2.19 114.38 116.86 2nx3 h ARG 28 Ca 0.20 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.30 2nx3 h ARG 28 Cb 0.03 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 2nx3 h ARG 28 CO -0.03 0.25 0.11 -0.07 -1.51 0.00 0.00 179.97 178.72 2nx3 h LEU 29 N 0.39 0.72 -1.72 3.80 3.38 -0.76 -1.44 115.31 119.69 2nx3 h LEU 29 Ca 0.15 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2nx3 h LEU 29 Cb 0.04 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 2nx3 h LEU 29 CO -0.09 0.72 -0.13 0.77 0.09 0.00 0.00 178.44 179.80 2nx3 h SER 30 N 0.75 0.00 0.48 -0.43 4.64 -0.34 -0.25 113.55 118.41 2nx3 h SER 30 Ca 0.17 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.19 2nx3 h SER 30 Cb 0.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 2nx3 h SER 30 CO -0.00 0.13 -1.52 -0.33 -0.87 0.00 0.00 176.83 174.24 2nx3 h GLU 31 N 0.00 0.22 0.05 4.77 4.39 -0.80 -3.33 114.58 119.88 2nx3 h GLU 31 Ca -0.00 -0.37 -0.26 0.00 0.34 0.00 0.00 59.36 59.07 2nx3 h GLU 31 Cb 0.45 0.14 0.01 0.00 -0.10 0.00 0.00 28.75 29.25 2nx3 h GLU 31 CO 0.02 1.07 -1.08 -0.22 -1.16 0.00 0.00 179.01 177.63 2nx3 h LYS 32 N 0.06 0.47 -2.62 2.33 3.64 -0.93 -3.37 116.57 116.14 2nx3 h LYS 32 Ca -0.23 -0.57 -0.66 0.00 -1.27 0.00 0.00 60.65 57.91 2nx3 h LYS 32 Cb 2.00 0.18 -0.38 0.00 -0.41 0.00 0.00 32.23 33.62 2nx3 h LYS 32 CO 0.15 1.22 -0.23 1.19 -2.27 0.00 0.00 179.45 179.50 2nx3 n PHE 33 N -3.73 3.43 0.25 1.91 3.72 -0.14 -4.90 117.46 118.01 2nx3 n PHE 33 Ca -0.09 -3.86 0.08 0.00 -0.05 0.00 0.00 57.45 53.53 2nx3 n PHE 33 Cb 0.91 -0.80 0.37 0.00 -0.94 0.00 0.00 39.48 39.02 2nx3 n PHE 33 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2nx3 n LYS 34 N 1.30 0.09 0.00 -1.08 5.02 -1.25 -1.56 118.16 120.68 2nx3 n LYS 34 Ca 0.27 0.47 0.14 0.00 -2.02 0.00 0.00 58.31 57.17 2nx3 n LYS 34 Cb 0.38 -1.74 0.56 0.00 -0.02 0.00 0.00 35.03 34.21 2nx3 n LYS 34 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2nx3 n GLU 35 N -1.92 0.78 -4.32 1.97 0.00 -1.26 -4.82 120.64 111.07 2nx3 n GLU 35 Ca 0.01 -0.33 -0.33 0.00 0.00 0.00 0.00 57.16 56.51 2nx3 n GLU 35 Cb 0.10 -1.49 -0.09 0.00 0.00 0.00 0.00 31.44 29.96 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 -2.44 4.12 -0.33 3.84 1.01 -0.60 -3.91 120.40 122.09 2nx3 s VAL 36 Ca 0.29 -0.56 -0.10 0.00 0.00 0.00 0.00 61.98 61.61 2nx3 s VAL 36 Cb 0.20 -2.82 -0.00 0.00 0.00 0.00 0.00 36.38 33.76 2nx3 s VAL 36 CO 0.48 0.42 0.17 -0.70 0.00 0.00 0.00 175.10 175.46 2nx3 s GLU 37 N -1.43 3.26 -0.03 2.72 2.12 0.14 -4.97 118.70 120.51 2nx3 s GLU 37 Ca 0.18 -0.78 -0.14 0.00 0.36 0.00 0.00 54.97 54.60 2nx3 s GLU 37 Cb -0.11 -3.62 -0.05 0.00 0.26 0.00 0.00 34.13 30.60 2nx3 s GLU 37 CO 0.09 -0.47 0.37 -0.06 -0.54 0.00 0.00 175.26 174.65 2nx3 s PHE 38 N 1.61 3.69 -0.11 5.30 0.08 -1.26 -1.04 117.98 126.25 2nx3 s PHE 38 Ca 0.04 0.91 0.01 0.00 0.12 0.00 0.00 56.93 58.01 2nx3 s PHE 38 Cb -0.17 -2.26 0.02 0.00 -0.57 0.00 0.00 43.02 40.03 2nx3 s PHE 38 CO 0.07 0.61 -0.12 0.08 -0.10 0.00 0.00 175.22 175.75 2nx3 s VAL 39 N -0.90 1.30 -0.06 -0.44 1.01 -0.28 -4.19 120.40 116.84 2nx3 s VAL 39 Ca 0.22 -0.51 -0.27 0.00 0.00 0.00 0.00 61.98 61.42 2nx3 s VAL 39 Cb -0.16 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 2nx3 s VAL 39 CO 0.11 0.40 0.88 0.12 0.00 0.00 0.00 175.10 176.62 2nx3 s PHE 40 N 1.17 3.58 -0.01 5.22 5.36 -0.36 -1.20 117.98 131.73 2nx3 s PHE 40 Ca -0.04 1.49 0.06 0.00 -0.96 0.00 0.00 56.93 57.49 2nx3 s PHE 40 Cb -0.14 -3.03 -0.02 0.00 -0.34 0.00 0.00 43.02 39.50 2nx3 s PHE 40 CO -0.03 -0.05 -0.21 0.21 -1.46 0.00 0.00 175.22 173.68 2nx3 s LYS 41 N 1.27 1.66 -0.29 10.12 2.47 0.45 -1.64 119.74 133.80 2nx3 s LYS 41 Ca 0.45 -0.76 -0.18 0.00 -1.56 0.00 0.00 55.97 53.93 2nx3 s LYS 41 Cb -0.19 -1.62 0.14 0.00 -1.46 0.00 0.00 37.83 34.70 2nx3 s LYS 41 CO 0.21 0.44 0.97 0.45 0.16 0.00 0.00 175.35 177.58 2nx3 s SER 42 N -0.53 -0.53 0.14 1.43 0.15 -1.18 -3.21 113.70 109.96 2nx3 s SER 42 Ca 0.08 0.88 -0.24 0.00 0.70 0.00 0.00 55.95 57.36 2nx3 s SER 42 Cb -0.08 1.15 -0.08 0.00 -1.71 0.00 0.00 66.02 65.31 2nx3 s SER 42 CO -0.01 -0.14 0.73 -0.44 1.20 0.00 0.00 173.24 174.58 2nx3 s SER 43 N 1.15 7.31 0.00 5.45 0.01 -0.34 -4.62 113.70 122.66 2nx3 s SER 43 Ca -0.07 1.55 0.27 0.00 1.31 0.00 0.00 55.95 59.02 2nx3 s SER 43 Cb -0.04 -2.47 0.94 0.00 0.21 0.00 0.00 66.02 64.66 2nx3 s SER 43 CO -0.14 0.21 1.69 2.22 0.41 0.00 0.00 173.24 177.63 2nx3 n PHE 44 N 1.70 0.00 -3.64 2.43 1.16 -1.26 -1.35 117.46 116.50 2nx3 n PHE 44 Ca -0.06 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.44 2nx3 n PHE 44 Cb 0.49 -0.19 -0.07 0.00 -1.61 0.00 0.00 39.48 38.10 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 -2.61 -0.80 -0.67 5.98 2.15 -1.25 -3.93 116.67 115.54 2nx3 s ASP 45 Ca 0.23 1.34 -0.16 0.00 0.43 0.00 0.00 52.55 54.39 2nx3 s ASP 45 Cb 0.19 1.34 0.16 0.00 -0.30 0.00 0.00 42.92 44.31 2nx3 s ASP 45 CO 0.53 -0.22 0.64 -0.54 -0.17 0.00 0.00 175.17 175.41 2nx3 s LYS 46 N 1.24 3.25 0.00 4.34 -0.14 0.41 -4.90 119.74 123.94 2nx3 s LYS 46 Ca -0.07 -1.97 0.28 0.00 -1.36 0.00 0.00 55.97 52.85 2nx3 s LYS 46 Cb -0.05 -4.36 1.02 0.00 -1.68 0.00 0.00 37.83 32.75 2nx3 s LYS 46 CO -0.14 -1.34 1.73 0.00 -0.76 0.00 0.00 175.35 174.84 2nx3 n ALA 47 N 4.88 2.90 -1.85 5.17 0.00 -1.26 -4.11 120.51 126.25 2nx3 n ALA 47 Ca -0.02 -0.31 0.03 0.00 0.00 0.00 0.00 53.44 53.15 2nx3 n ALA 47 Cb 0.43 -1.26 0.15 0.00 0.00 0.00 0.00 19.45 18.77 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 -0.93 1.79 -4.73 0.00 6.94 -1.26 -5.07 115.26 111.99 2nx3 n ASN 48 Ca 0.13 -3.45 -0.36 0.00 -0.02 0.00 0.00 54.58 50.87 2nx3 n ASN 48 Cb 0.31 -0.47 0.07 0.00 -2.36 0.00 0.00 39.78 37.34 2nx3 n ASN 48 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2nx3 s ARG 49 N -2.59 2.45 0.29 -3.83 1.81 -1.26 -4.91 118.95 110.91 2nx3 s ARG 49 Ca 0.38 2.02 0.04 0.00 -1.72 0.00 0.00 55.73 56.46 2nx3 s ARG 49 Cb 0.38 -1.84 0.44 0.00 -0.45 0.00 0.00 34.95 33.48 2nx3 s ARG 49 CO -0.08 -1.67 1.71 0.77 -0.68 0.00 0.00 175.30 175.35 2nx3 h SER 50 N 0.38 0.37 -3.60 0.23 0.02 -1.97 -3.45 113.55 105.53 2nx3 h SER 50 Ca -0.50 -0.14 -0.67 0.00 -0.84 0.00 0.00 61.79 59.64 2nx3 h SER 50 Cb 1.33 -0.10 -0.17 0.00 0.14 0.00 0.00 62.40 63.60 2nx3 h SER 50 CO 0.52 0.68 -0.70 -0.55 -1.14 0.00 0.00 176.83 175.64 2nx3 s SER 51 N -6.85 4.63 0.35 3.07 0.15 -1.25 -4.99 113.70 108.81 2nx3 s SER 51 Ca -0.06 -0.15 0.27 0.00 0.70 0.00 0.00 55.95 56.70 2nx3 s SER 51 Cb 0.14 -1.07 1.18 0.00 -1.71 0.00 0.00 66.02 64.55 2nx3 s SER 51 CO 0.78 0.28 1.80 -0.29 1.20 0.00 0.00 173.24 177.00 2nx3 h ILE 52 N 3.71 0.00 -0.00 6.45 6.09 -1.94 -2.67 117.51 129.14 2nx3 h ILE 52 Ca -0.48 -0.23 0.00 0.00 -1.37 0.00 0.00 64.86 62.77 2nx3 h ILE 52 Cb 1.17 0.99 0.00 0.00 0.47 0.00 0.00 36.82 39.45 2nx3 h ILE 52 CO 0.54 0.00 -0.59 1.41 -3.07 0.00 0.00 178.15 176.43 2nx3 n HIS 53 N -2.46 0.00 -2.17 2.19 8.25 -1.26 -4.96 115.22 114.80 2nx3 n HIS 53 Ca 0.01 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.15 2nx3 n HIS 53 Cb 0.20 -0.17 -0.01 0.00 1.12 0.00 0.00 29.99 31.13 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 -2.94 6.25 0.27 0.41 0.01 -1.01 -5.00 113.70 111.69 2nx3 s SER 54 Ca 0.12 1.63 -0.30 0.00 1.31 0.00 0.00 55.95 58.70 2nx3 s SER 54 Cb 0.17 -2.51 -0.11 0.00 0.21 0.00 0.00 66.02 63.78 2nx3 s SER 54 CO 0.72 -0.85 1.60 0.12 0.41 0.00 0.00 173.24 175.25 2nx3 s PHE 55 N -2.67 2.81 -0.11 2.43 5.36 -1.26 -4.94 117.98 119.60 2nx3 s PHE 55 Ca 0.60 0.72 -0.04 0.00 -0.96 0.00 0.00 56.93 57.24 2nx3 s PHE 55 Cb -0.12 -4.06 -0.05 0.00 -0.34 0.00 0.00 43.02 38.45 2nx3 s PHE 55 CO 0.37 -3.64 -0.13 0.54 -1.46 0.00 0.00 175.22 170.90 2nx3 n ARG 56 N 2.56 0.24 -1.87 10.12 1.74 -1.26 -4.72 116.66 123.46 2nx3 n ARG 56 Ca 0.10 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.27 2nx3 n ARG 56 Cb 0.37 -0.95 0.00 0.00 -1.02 0.00 0.00 32.46 30.86 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 2.44 -0.73 1.67 -0.13 0.00 -1.26 -0.44 105.19 106.72 2nx3 n GLY 57 Ca -0.21 -1.65 0.08 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.07 1.72 0.00 1.61 8.25 -1.26 -5.02 115.22 120.45 2nx3 n HIS 58 Ca 0.00 -0.68 0.00 0.00 -0.26 0.00 0.00 57.72 56.78 2nx3 n HIS 58 Cb 0.00 -0.37 0.00 0.00 1.12 0.00 0.00 29.99 30.74 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 0.77 1.63 0.15 -1.41 0.00 -1.25 -4.47 105.19 100.62 2nx3 n GLY 59 Ca 0.26 -1.72 -0.10 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 0.40 -0.27 0.99 6.46 -1.97 -1.88 115.31 119.03 2nx3 h LEU 60 Ca 0.00 -0.14 0.05 0.00 -0.12 0.00 0.00 57.88 57.68 2nx3 h LEU 60 Cb 0.00 -0.10 -0.05 0.00 -0.73 0.00 0.00 40.66 39.78 2nx3 h LEU 60 CO 0.00 0.42 -0.05 -0.33 -0.62 0.00 0.00 178.44 177.87 2nx3 h GLU 61 N 0.35 0.02 -0.74 1.25 3.07 -1.98 0.53 114.58 117.09 2nx3 h GLU 61 Ca 0.10 -0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.90 2nx3 h GLU 61 Cb 0.14 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.01 2nx3 h GLU 61 CO -0.01 0.02 0.22 -0.92 -1.40 0.00 0.00 179.01 176.91 2nx3 h TYR 62 N 0.02 1.20 -0.38 4.33 3.20 -1.77 -2.29 116.97 121.28 2nx3 h TYR 62 Ca 0.13 -0.13 -0.06 0.00 3.14 0.00 0.00 58.73 61.81 2nx3 h TYR 62 Cb 0.19 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 2nx3 h TYR 62 CO -0.25 0.95 0.01 0.78 -1.64 0.00 0.00 178.16 178.01 2nx3 h GLY 63 N 1.11 0.72 1.42 1.82 0.00 -0.76 -0.68 103.07 106.70 2nx3 h GLY 63 Ca 0.24 -0.53 -0.04 0.00 0.00 0.00 0.00 47.33 47.00 2nx3 h GLY 63 CO -0.00 0.49 0.13 -2.08 0.00 0.00 0.00 176.54 175.07 2nx3 h VAL 64 N 0.49 1.21 -0.43 4.60 2.07 -0.85 -0.29 116.25 123.05 2nx3 h VAL 64 Ca 0.11 -0.73 -0.12 0.00 0.82 0.00 0.00 66.70 66.77 2nx3 h VAL 64 Cb 0.46 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 2nx3 h VAL 64 CO 0.02 0.27 -0.20 0.11 0.02 0.00 0.00 177.57 177.79 2nx3 h LYS 65 N 0.72 0.90 -0.40 1.57 1.57 -1.19 -1.17 116.57 118.57 2nx3 h LYS 65 Ca 0.16 -0.39 -0.03 0.00 -1.87 0.00 0.00 60.65 58.52 2nx3 h LYS 65 Cb 0.25 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 2nx3 h LYS 65 CO -0.00 1.04 0.14 0.00 -0.57 0.00 0.00 179.45 180.05 2nx3 h ALA 66 N 0.83 0.52 -0.65 3.86 0.00 -0.53 -2.02 119.26 121.28 2nx3 h ALA 66 Ca 0.10 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 2nx3 h ALA 66 Cb 0.77 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2nx3 h ALA 66 CO 0.06 0.15 0.10 -0.07 0.00 0.00 0.00 179.25 179.49 2nx3 h LEU 67 N 0.50 1.03 -1.45 0.00 3.38 -1.02 -2.67 115.31 115.08 2nx3 h LEU 67 Ca 0.13 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 2nx3 h LEU 67 Cb 0.23 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2nx3 h LEU 67 CO -0.01 1.04 -0.17 -0.09 0.09 0.00 0.00 178.44 179.30 2nx3 h ARG 68 N 0.99 0.15 -0.50 1.13 2.43 -1.03 -1.26 114.38 116.29 2nx3 h ARG 68 Ca 0.20 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.21 2nx3 h ARG 68 Cb 0.45 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 2nx3 h ARG 68 CO 0.01 0.32 -0.17 -0.22 -1.51 0.00 0.00 179.97 178.40 2nx3 h LYS 69 N 0.14 1.00 -0.05 0.20 1.63 -1.05 -0.58 116.57 117.86 2nx3 h LYS 69 Ca 0.03 -0.41 -0.00 0.00 -0.85 0.00 0.00 60.65 59.42 2nx3 h LYS 69 Cb 0.39 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 31.97 2nx3 h LYS 69 CO 0.02 1.09 0.01 0.28 -3.45 0.00 0.00 179.45 177.40 2nx3 h VAL 70 N 0.88 1.18 -0.34 2.00 2.07 -1.10 0.15 116.25 121.09 2nx3 h VAL 70 Ca 0.12 -0.54 0.03 0.00 0.82 0.00 0.00 66.70 67.14 2nx3 h VAL 70 Cb 0.75 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 2nx3 h VAL 70 CO 0.06 0.15 0.14 0.50 0.02 0.00 0.00 177.57 178.43 2nx3 h LYS 71 N -0.13 0.28 -0.15 1.57 3.64 -1.11 0.49 116.57 121.16 2nx3 h LYS 71 Ca 0.02 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 2nx3 h LYS 71 Cb 0.23 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 2nx3 h LYS 71 CO -0.00 0.19 -0.00 1.49 -2.27 0.00 0.00 179.45 178.86 2nx3 h GLU 72 N 0.29 0.27 -0.40 1.90 4.81 -1.05 0.90 114.58 121.31 2nx3 h GLU 72 Ca 0.15 -0.09 -0.16 0.00 -0.13 0.00 0.00 59.36 59.13 2nx3 h GLU 72 Cb 0.10 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2nx3 h GLU 72 CO -0.13 0.50 -0.37 1.49 -0.73 0.00 0.00 179.01 179.77 2nx3 h GLU 73 N 0.01 0.95 -0.01 1.92 4.81 -0.87 -3.33 114.58 118.06 2nx3 h GLU 73 Ca 0.04 -0.49 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 2nx3 h GLU 73 Cb 0.38 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.77 2nx3 h GLU 73 CO 0.01 1.15 -0.09 1.19 -0.73 0.00 0.00 179.01 180.54 2nx3 n PHE 74 N -4.06 0.00 -2.38 0.92 3.72 0.15 -5.00 117.46 110.81 2nx3 n PHE 74 Ca -0.02 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.19 2nx3 n PHE 74 Cb 0.54 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.07 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 0.74 -0.40 3.89 1.37 0.00 0.31 -4.96 105.19 106.14 2nx3 n GLY 75 Ca 0.06 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 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 -5.42 4.29 0.66 0.99 1.43 -1.19 -5.03 118.68 114.42 2nx3 s LEU 76 Ca 0.01 0.62 -0.15 0.00 -1.03 0.00 0.00 54.13 53.57 2nx3 s LEU 76 Cb -0.01 -3.17 0.00 0.00 0.03 0.00 0.00 46.19 43.05 2nx3 s LEU 76 CO 0.01 0.10 1.14 -0.54 0.23 0.00 0.00 176.35 177.29 2nx3 s LYS 77 N -2.41 2.70 0.01 1.70 -0.14 -1.26 -4.37 119.74 115.97 2nx3 s LYS 77 Ca 0.38 1.50 0.05 0.00 -1.36 0.00 0.00 55.97 56.54 2nx3 s LYS 77 Cb -0.13 -1.93 -0.02 0.00 -1.68 0.00 0.00 37.83 34.08 2nx3 s LYS 77 CO 0.22 -1.35 -0.15 0.42 -0.76 0.00 0.00 175.35 173.73 2nx3 s ILE 78 N -2.19 1.20 -0.00 2.17 -1.09 -1.26 -1.22 121.20 118.80 2nx3 s ILE 78 Ca 0.69 -0.82 -0.01 0.00 -2.23 0.00 0.00 60.65 58.28 2nx3 s ILE 78 Cb -0.23 -1.04 -0.00 0.00 -1.58 0.00 0.00 42.46 39.61 2nx3 s ILE 78 CO 0.41 0.21 0.03 0.28 -1.23 0.00 0.00 174.94 174.63 2nx3 s THR 79 N -0.57 0.04 0.17 2.92 -1.32 -0.65 0.13 115.64 116.37 2nx3 s THR 79 Ca 0.05 -0.33 -0.17 0.00 -1.21 0.00 0.00 61.69 60.03 2nx3 s THR 79 Cb -0.07 -0.15 0.03 0.00 -1.51 0.00 0.00 72.50 70.80 2nx3 s THR 79 CO 0.00 -0.18 0.48 0.28 -2.21 0.00 0.00 174.62 172.99 2nx3 s THR 80 N -0.54 0.04 0.19 5.08 -1.32 -1.17 -3.13 115.64 114.79 2nx3 s THR 80 Ca -0.06 -0.70 0.03 0.00 -1.21 0.00 0.00 61.69 59.75 2nx3 s THR 80 Cb -0.04 -1.43 -0.03 0.00 -1.51 0.00 0.00 72.50 69.48 2nx3 s THR 80 CO -0.00 -0.18 0.33 1.51 -2.21 0.00 0.00 174.62 174.07 2nx3 s ASP 81 N -2.85 6.33 0.27 8.08 -4.77 -1.26 -0.76 116.67 121.72 2nx3 s ASP 81 Ca 0.07 0.16 0.12 0.00 -3.30 0.00 0.00 52.55 49.60 2nx3 s ASP 81 Cb 0.00 -1.90 -0.05 0.00 -1.09 0.00 0.00 42.92 39.88 2nx3 s ASP 81 CO -0.06 -0.01 -0.19 0.27 0.70 0.00 0.00 175.17 175.87 2nx3 s ILE 82 N -1.86 2.41 0.00 2.11 -4.36 -0.69 -4.76 121.20 114.05 2nx3 s ILE 82 Ca 0.35 -2.39 0.00 0.00 -0.26 0.00 0.00 60.65 58.35 2nx3 s ILE 82 Cb -0.10 -2.28 0.00 0.00 1.25 0.00 0.00 42.46 41.33 2nx3 s ILE 82 CO 0.29 -0.42 0.00 1.41 0.24 0.00 0.00 174.94 176.46 2nx3 n HIS 83 N -0.60 0.00 -3.92 1.37 8.25 -1.26 -4.33 115.22 114.72 2nx3 n HIS 83 Ca -0.05 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.31 2nx3 n HIS 83 Cb 0.60 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.60 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 -0.96 0.31 0.35 -0.41 2.02 -1.26 -5.06 118.70 113.69 2nx3 s GLU 84 Ca 0.00 -0.41 0.14 0.00 0.02 0.00 0.00 54.97 54.72 2nx3 s GLU 84 Cb 0.00 0.12 1.02 0.00 0.10 0.00 0.00 34.13 35.38 2nx3 s GLU 84 CO 0.00 -0.06 1.72 0.77 0.02 0.00 0.00 175.26 177.71 2nx3 h SER 85 N 4.81 0.55 0.36 -0.19 0.02 -1.91 -1.32 113.55 115.86 2nx3 h SER 85 Ca -0.30 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 2nx3 h SER 85 Cb 1.20 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.80 2nx3 h SER 85 CO 0.42 0.03 0.00 4.11 -1.14 0.00 0.00 176.83 180.25 2nx3 h TRP 86 N 0.45 0.00 0.00 3.45 5.08 -1.97 -2.84 115.95 120.11 2nx3 h TRP 86 Ca 0.66 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 60.59 2nx3 h TRP 86 Cb 1.49 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.64 2nx3 h TRP 86 CO -0.01 0.00 -0.18 1.96 -1.28 0.00 0.00 178.44 178.94 2nx3 h GLN 87 N 0.00 0.00 -0.19 0.12 4.20 -1.67 -3.38 115.11 114.19 2nx3 h GLN 87 Ca 0.00 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.76 2nx3 h GLN 87 Cb 0.18 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.89 2nx3 h GLN 87 CO 0.00 0.18 -0.39 0.00 -0.67 0.00 0.00 178.83 177.95 2nx3 h ALA 88 N 1.82 -0.47 0.54 3.87 0.00 -1.66 -2.18 119.26 121.19 2nx3 h ALA 88 Ca -0.00 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2nx3 h ALA 88 Cb 1.08 0.75 0.00 0.00 0.00 0.00 0.00 17.79 19.62 2nx3 h ALA 88 CO 0.02 -0.86 -0.30 1.49 0.00 0.00 0.00 179.25 179.60 2nx3 h GLU 89 N -0.42 -0.75 -0.92 0.00 4.81 -1.81 0.34 114.58 115.84 2nx3 h GLU 89 Ca 0.10 0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.40 2nx3 h GLU 89 Cb 0.59 0.17 -0.05 0.00 0.63 0.00 0.00 28.75 30.09 2nx3 h GLU 89 CO -0.42 -0.50 0.61 -1.00 -0.73 0.00 0.00 179.01 176.96 2nx3 h PRO 90 N -0.78 1.17 -0.56 0.92 0.13 -1.79 -2.18 132.00 128.93 2nx3 h PRO 90 Ca -0.07 -0.07 -0.07 0.00 -0.87 0.00 0.00 66.00 64.92 2nx3 h PRO 90 Cb 0.62 -0.26 -0.02 0.00 0.13 0.00 0.00 31.00 31.46 2nx3 h PRO 90 CO 0.09 0.78 0.06 0.28 -0.23 0.00 0.00 178.00 178.98 2nx3 h VAL 91 N 1.21 1.25 -0.00 1.56 2.07 -1.22 -2.65 116.25 118.47 2nx3 h VAL 91 Ca 0.35 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.88 2nx3 h VAL 91 Cb -0.08 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2nx3 h VAL 91 CO -0.09 0.36 0.12 0.00 0.02 0.00 0.00 177.57 177.98 2nx3 h ALA 92 N 1.20 1.13 0.00 1.67 0.00 -0.25 0.29 119.26 123.30 2nx3 h ALA 92 Ca 0.17 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 2nx3 h ALA 92 Cb 0.42 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2nx3 h ALA 92 CO 0.01 -0.12 -0.16 0.93 0.00 0.00 0.00 179.25 179.91 2nx3 h GLU 93 N 0.00 0.00 0.00 0.00 4.39 -1.41 -3.33 114.58 114.23 2nx3 h GLU 93 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2nx3 h GLU 93 Cb 0.24 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2nx3 h GLU 93 CO -0.00 0.16 -1.06 1.55 -1.16 0.00 0.00 179.01 178.50 2nx3 n VAL 94 N -4.27 0.06 -2.44 3.13 3.14 -0.45 -5.04 118.33 112.46 2nx3 n VAL 94 Ca -0.02 -0.03 -0.41 0.00 -2.96 0.00 0.00 64.34 60.91 2nx3 n VAL 94 Cb 0.23 -0.88 -0.04 0.00 -1.06 0.00 0.00 33.84 32.09 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 -2.02 3.40 -0.04 1.55 0.00 -0.04 -4.54 121.76 120.08 2nx3 s ALA 95 Ca -0.01 0.88 0.12 0.00 0.00 0.00 0.00 51.96 52.95 2nx3 s ALA 95 Cb 0.00 -3.40 -0.23 0.00 0.00 0.00 0.00 23.12 19.49 2nx3 s ALA 95 CO 0.03 -0.33 0.67 -0.44 0.00 0.00 0.00 175.76 175.70 2nx3 h ASP 96 N 5.56 0.02 -3.35 0.00 3.32 0.81 -3.44 116.42 119.33 2nx3 h ASP 96 Ca -0.44 -0.04 -0.43 0.00 0.02 0.00 0.00 57.03 56.14 2nx3 h ASP 96 Cb 1.21 -0.01 -0.36 0.00 0.22 0.00 0.00 39.33 40.40 2nx3 h ASP 96 CO 0.75 1.03 -0.77 -0.63 -1.72 0.00 0.00 179.24 177.90 2nx3 s ILE 97 N -2.60 0.51 -0.26 0.35 1.01 -0.87 -2.73 121.20 116.60 2nx3 s ILE 97 Ca -0.05 -0.03 -0.16 0.00 0.00 0.00 0.00 60.65 60.41 2nx3 s ILE 97 Cb 0.08 -0.59 -0.03 0.00 0.01 0.00 0.00 42.46 41.93 2nx3 s ILE 97 CO 0.82 0.25 0.42 -0.63 0.00 0.00 0.00 174.94 175.80 2nx3 s ILE 98 N 1.43 5.14 0.02 2.92 1.01 0.27 -3.03 121.20 128.95 2nx3 s ILE 98 Ca -0.03 0.67 -0.16 0.00 0.00 0.00 0.00 60.65 61.13 2nx3 s ILE 98 Cb -0.13 -3.74 -0.06 0.00 0.01 0.00 0.00 42.46 38.54 2nx3 s ILE 98 CO -0.03 0.14 0.47 -1.58 0.00 0.00 0.00 174.94 173.93 2nx3 s GLN 99 N 2.12 4.04 -0.24 2.79 0.74 0.06 -1.04 119.66 128.13 2nx3 s GLN 99 Ca 0.17 0.52 -0.04 0.00 0.05 0.00 0.00 55.36 56.06 2nx3 s GLN 99 Cb -0.16 -3.24 -0.01 0.00 1.10 0.00 0.00 33.01 30.70 2nx3 s GLN 99 CO 0.10 0.64 -0.01 0.42 -0.55 0.00 0.00 175.29 175.88 2nx3 s ILE 100 N -0.96 3.53 0.63 -2.34 -1.09 0.10 -1.70 121.20 119.36 2nx3 s ILE 100 Ca 0.26 -0.52 -0.18 0.00 -2.23 0.00 0.00 60.65 57.98 2nx3 s ILE 100 Cb -0.17 -2.65 -0.03 0.00 -1.58 0.00 0.00 42.46 38.02 2nx3 s ILE 100 CO 0.15 0.35 1.05 -2.65 -1.23 0.00 0.00 174.94 172.62 2nx3 n PRO 101 N 4.81 0.92 -0.12 2.79 -0.02 -1.26 -1.46 135.00 140.66 2nx3 n PRO 101 Ca -0.17 0.36 -0.05 0.00 -2.02 0.00 0.00 63.50 61.62 2nx3 n PRO 101 Cb 0.50 -2.27 0.03 0.00 -0.02 0.00 0.00 33.50 31.74 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 0.42 0.41 0.00 3.55 0.00 -1.89 -1.50 119.26 120.25 2nx3 h ALA 102 Ca -0.49 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2nx3 h ALA 102 Cb 1.36 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.27 2nx3 h ALA 102 CO 0.51 -0.34 0.00 0.74 0.00 0.00 0.00 179.25 180.16 2nx3 h PHE 103 N 0.18 0.00 -0.54 0.00 0.04 -1.92 -2.69 116.94 112.01 2nx3 h PHE 103 Ca 0.19 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.96 2nx3 h PHE 103 Cb 0.24 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.39 2nx3 h PHE 103 CO -0.21 0.00 0.00 1.28 -0.60 0.00 0.00 178.31 178.78 2nx3 n LEU 104 N -3.04 3.46 0.19 1.54 4.77 -0.61 -4.65 117.00 118.67 2nx3 n LEU 104 Ca -0.01 -1.97 0.12 0.00 -0.03 0.00 0.00 56.01 54.12 2nx3 n LEU 104 Cb 0.20 -0.36 0.65 0.00 -2.33 0.00 0.00 43.42 41.58 2nx3 n LEU 104 CO 0.24 0.86 0.89 0.00 -1.33 0.00 0.00 177.39 178.04 2nx3 n ARG 106 N -2.36 2.07 -2.65 0.00 1.74 -1.26 -4.91 116.66 109.29 2nx3 n ARG 106 Ca -0.02 -1.79 -0.42 0.00 -0.77 0.00 0.00 57.85 54.86 2nx3 n ARG 106 Cb 0.10 -1.27 -0.03 0.00 -1.02 0.00 0.00 32.46 30.23 2nx3 n ARG 106 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2nx3 s GLN 107 N -1.01 3.20 0.19 5.56 -1.52 -0.68 -4.90 119.66 120.51 2nx3 s GLN 107 Ca 0.21 -0.50 -0.20 0.00 -1.95 0.00 0.00 55.36 52.92 2nx3 s GLN 107 Cb 0.12 -4.29 0.14 0.00 -0.22 0.00 0.00 33.01 28.77 2nx3 s GLN 107 CO 0.17 -2.05 1.58 1.15 -0.25 0.00 0.00 175.29 175.89 2nx3 h THR 108 N 6.06 0.14 -0.34 -0.19 2.02 -1.91 -1.68 112.91 117.02 2nx3 h THR 108 Ca -0.24 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.94 2nx3 h THR 108 Cb 1.05 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 2nx3 h THR 108 CO 1.26 0.00 0.21 0.44 0.37 0.00 0.00 175.52 177.80 2nx3 h ASP 109 N -0.13 0.39 -0.24 4.18 3.32 -1.99 -0.36 116.42 121.59 2nx3 h ASP 109 Ca 0.25 -0.01 -0.16 0.00 0.02 0.00 0.00 57.03 57.13 2nx3 h ASP 109 Cb 0.56 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.01 2nx3 h ASP 109 CO -0.73 0.30 -0.48 0.25 -1.72 0.00 0.00 179.24 176.86 2nx3 h LEU 110 N 0.46 0.84 -0.47 1.55 5.85 -1.70 -0.30 115.31 121.53 2nx3 h LEU 110 Ca 0.12 -0.54 -0.02 0.00 0.84 0.00 0.00 57.88 58.28 2nx3 h LEU 110 Cb -0.03 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.74 2nx3 h LEU 110 CO -0.02 1.22 0.23 -0.07 -0.34 0.00 0.00 178.44 179.46 2nx3 h LEU 111 N 0.49 0.62 -0.83 2.25 4.07 -0.95 -2.01 115.31 118.95 2nx3 h LEU 111 Ca 0.01 -0.12 -0.07 0.00 0.08 0.00 0.00 57.88 57.78 2nx3 h LEU 111 Cb 1.08 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 42.64 2nx3 h LEU 111 CO 0.11 0.57 0.10 -0.07 -1.08 0.00 0.00 178.44 178.07 2nx3 h LEU 112 N 0.62 0.93 -0.62 1.67 3.38 -0.99 -1.57 115.31 118.72 2nx3 h LEU 112 Ca 0.16 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2nx3 h LEU 112 Cb 0.11 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 2nx3 h LEU 112 CO -0.02 0.93 0.28 0.00 0.09 0.00 0.00 178.44 179.72 2nx3 h ALA 113 N 1.18 0.81 -0.22 1.53 0.00 -0.81 -1.39 119.26 120.36 2nx3 h ALA 113 Ca 0.19 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2nx3 h ALA 113 Cb 0.40 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2nx3 h ALA 113 CO 0.01 0.39 0.00 0.00 0.00 0.00 0.00 179.25 179.65 2nx3 h ALA 114 N 1.12 0.29 -0.34 0.00 0.00 -1.11 -3.07 119.26 116.15 2nx3 h ALA 114 Ca 0.21 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2nx3 h ALA 114 Cb 0.16 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2nx3 h ALA 114 CO -0.02 0.01 0.05 0.00 0.00 0.00 0.00 179.25 179.29 2nx3 h ALA 115 N 0.80 1.47 0.00 0.00 0.00 -1.19 -2.55 119.26 117.79 2nx3 h ALA 115 Ca 0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2nx3 h ALA 115 Cb 0.40 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2nx3 h ALA 115 CO 0.01 0.39 -0.03 -0.22 0.00 0.00 0.00 179.25 179.40 2nx3 h LYS 116 N 0.49 0.00 0.00 0.00 3.64 -1.15 -2.39 116.57 117.15 2nx3 h LYS 116 Ca 0.11 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2nx3 h LYS 116 Cb 0.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2nx3 h LYS 116 CO 0.00 0.03 0.00 1.79 -2.27 0.00 0.00 179.45 179.00 2nx3 h THR 117 N 0.00 0.00 0.00 1.00 1.35 -1.44 -3.46 112.91 110.36 2nx3 h THR 117 Ca -0.00 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 2nx3 h THR 117 Cb 0.34 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.17 2nx3 h THR 117 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2nx3 n GLY 118 N 0.16 0.81 3.93 5.82 0.00 -0.90 -5.04 105.19 109.97 2nx3 n GLY 118 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.37 3.19 0.73 1.61 1.81 -1.26 -4.94 118.95 119.71 2nx3 s ARG 119 Ca 0.00 -0.19 -0.13 0.00 -1.72 0.00 0.00 55.73 53.70 2nx3 s ARG 119 Cb 0.00 -2.46 0.04 0.00 -0.45 0.00 0.00 34.95 32.08 2nx3 s ARG 119 CO 0.00 -0.31 1.11 0.00 -0.68 0.00 0.00 175.30 175.42 2nx3 s ALA 120 N -2.68 2.30 -0.05 2.13 0.00 -1.11 -4.77 121.76 117.59 2nx3 s ALA 120 Ca 0.48 0.43 0.03 0.00 0.00 0.00 0.00 51.96 52.90 2nx3 s ALA 120 Cb -0.10 -3.31 0.01 0.00 0.00 0.00 0.00 23.12 19.72 2nx3 s ALA 120 CO 0.41 -1.61 -0.11 0.08 0.00 0.00 0.00 175.76 174.53 2nx3 s VAL 121 N -2.60 1.02 -0.22 0.00 1.01 -0.76 -0.57 120.40 118.28 2nx3 s VAL 121 Ca 0.65 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 62.19 2nx3 s VAL 121 Cb -0.19 -0.92 0.04 0.00 0.00 0.00 0.00 36.38 35.30 2nx3 s VAL 121 CO 0.49 0.32 -0.16 0.21 0.00 0.00 0.00 175.10 175.96 2nx3 s ASN 122 N 0.42 3.73 -0.25 3.32 2.47 -0.21 -0.73 114.94 123.69 2nx3 s ASN 122 Ca -0.09 -0.97 -0.11 0.00 0.42 0.00 0.00 52.86 52.12 2nx3 s ASN 122 Cb -0.13 -1.52 -0.05 0.00 -1.45 0.00 0.00 41.25 38.11 2nx3 s ASN 122 CO 0.02 -0.08 0.17 -0.69 -3.72 0.00 0.00 177.10 172.79 2nx3 s VAL 123 N 1.21 5.32 -0.04 -5.21 1.01 -0.48 -0.72 120.40 121.50 2nx3 s VAL 123 Ca -0.01 0.17 -0.30 0.00 0.00 0.00 0.00 61.98 61.84 2nx3 s VAL 123 Cb -0.16 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 2nx3 s VAL 123 CO -0.09 0.32 1.14 -0.54 0.00 0.00 0.00 175.10 175.93 2nx3 s LYS 124 N 1.27 4.40 -0.01 2.72 -0.14 -0.53 -0.97 119.74 126.48 2nx3 s LYS 124 Ca 0.07 1.61 -0.30 0.00 -1.36 0.00 0.00 55.97 55.99 2nx3 s LYS 124 Cb -0.14 -3.50 -0.06 0.00 -1.68 0.00 0.00 37.83 32.45 2nx3 s LYS 124 CO 0.06 -0.34 1.43 0.21 -0.76 0.00 0.00 175.35 175.95 2nx3 s LYS 125 N 1.82 4.27 0.58 1.68 2.20 -0.30 -4.00 119.74 125.99 2nx3 s LYS 125 Ca 0.55 1.99 -0.20 0.00 -0.36 0.00 0.00 55.97 57.95 2nx3 s LYS 125 Cb -0.24 -3.61 -0.05 0.00 -1.51 0.00 0.00 37.83 32.42 2nx3 s LYS 125 CO 0.23 -0.61 1.13 0.41 -0.36 0.00 0.00 175.35 176.15 2nx3 n GLY 126 N 3.70 0.12 0.00 5.54 0.00 -1.23 -4.56 105.19 108.75 2nx3 n GLY 126 Ca 0.14 -0.07 0.05 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.03 0.07 0.00 1.61 3.00 -1.26 -1.75 117.38 118.02 2nx3 n GLN 127 Ca 0.13 0.26 0.07 0.00 -0.01 0.00 0.00 57.00 57.44 2nx3 n GLN 127 Cb 0.46 -1.50 0.05 0.00 0.00 0.00 0.00 30.24 29.25 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 -1.41 0.00 -3.64 1.08 1.16 -1.26 -1.74 117.46 111.66 2nx3 n PHE 128 Ca 0.04 0.00 -0.37 0.00 -1.87 0.00 0.00 57.45 55.24 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 -1.20 4.41 0.25 5.98 2.96 -0.72 -5.08 118.68 125.29 2nx3 s LEU 129 Ca 0.15 0.73 -0.19 0.00 -0.22 0.00 0.00 54.13 54.60 2nx3 s LEU 129 Cb 0.11 -2.38 -0.08 0.00 0.50 0.00 0.00 46.19 44.34 2nx3 s LEU 129 CO 0.19 0.32 0.73 0.00 -1.32 0.00 0.00 176.35 176.27 2nx3 s ALA 130 N -0.84 3.38 0.28 5.97 0.00 -1.26 -4.89 121.76 124.40 2nx3 s ALA 130 Ca 0.20 0.14 0.02 0.00 0.00 0.00 0.00 51.96 52.31 2nx3 s ALA 130 Cb -0.15 -2.81 0.68 0.00 0.00 0.00 0.00 23.12 20.84 2nx3 s ALA 130 CO 0.09 0.33 1.67 -1.35 0.00 0.00 0.00 175.76 176.49 2nx3 h PRO 131 N 3.10 0.28 0.00 0.00 0.11 -1.98 0.28 132.00 133.80 2nx3 h PRO 131 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2nx3 h PRO 131 Cb 1.19 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2nx3 h PRO 131 CO 0.65 0.19 0.00 0.11 -0.21 0.00 0.00 178.00 178.74 2nx3 h TRP 132 N 0.29 0.00 0.00 0.65 0.09 -1.93 -2.61 115.95 112.44 2nx3 h TRP 132 Ca 0.53 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.51 2nx3 h TRP 132 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.27 2nx3 h TRP 132 CO -0.22 0.00 0.00 -0.44 0.09 0.00 0.00 178.44 177.87 2nx3 h ASP 133 N 0.00 0.00 0.80 0.11 3.32 -0.81 -3.02 116.42 116.83 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 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 2nx3 h ASP 133 CO 0.00 0.00 0.00 0.71 -1.72 0.00 0.00 179.24 178.23 2nx3 h THR 134 N 0.00 0.00 -0.55 0.35 1.35 -1.50 -3.21 112.91 109.36 2nx3 h THR 134 Ca 0.00 -0.28 0.02 0.00 -0.55 0.00 0.00 66.41 65.60 2nx3 h THR 134 Cb 0.40 1.05 -0.03 0.00 -1.73 0.00 0.00 68.15 67.84 2nx3 h THR 134 CO 0.00 0.00 0.34 0.50 -0.25 0.00 0.00 175.52 176.11 2nx3 h LYS 135 N 0.00 0.67 -0.45 4.72 3.64 -1.75 -0.91 116.57 122.49 2nx3 h LYS 135 Ca 0.00 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 2nx3 h LYS 135 Cb 0.40 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 2nx3 h LYS 135 CO 0.00 0.44 0.20 -0.91 -2.27 0.00 0.00 179.45 176.91 2nx3 h ASN 136 N 0.69 0.57 0.09 4.20 2.35 -1.81 -0.95 115.58 120.71 2nx3 h ASN 136 Ca 0.21 -0.05 0.01 0.00 -0.55 0.00 0.00 56.30 55.92 2nx3 h ASN 136 Cb -0.02 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 2nx3 h ASN 136 CO -0.08 0.50 -0.12 0.58 -1.65 0.00 0.00 177.43 176.67 2nx3 h VAL 137 N 0.63 0.73 -0.85 2.81 2.07 -1.33 0.18 116.25 120.49 2nx3 h VAL 137 Ca 0.16 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.70 2nx3 h VAL 137 Cb 0.10 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 2nx3 h VAL 137 CO -0.02 0.00 0.56 0.58 0.02 0.00 0.00 177.57 178.71 2nx3 h VAL 138 N -0.24 1.18 -0.84 2.57 2.07 -0.93 -2.06 116.25 118.00 2nx3 h VAL 138 Ca 0.01 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 2nx3 h VAL 138 Cb 0.25 -0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 29.95 2nx3 h VAL 138 CO -0.05 0.20 0.49 -0.08 0.02 0.00 0.00 177.57 178.15 2nx3 h GLU 139 N 1.11 1.15 -0.39 1.57 4.81 -0.60 -0.15 114.58 122.08 2nx3 h GLU 139 Ca 0.33 -0.11 -0.05 0.00 -0.13 0.00 0.00 59.36 59.39 2nx3 h GLU 139 Cb -0.06 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.07 2nx3 h GLU 139 CO -0.09 0.82 0.04 0.87 -0.73 0.00 0.00 179.01 179.91 2nx3 h LYS 140 N 1.17 0.66 -0.65 1.92 1.57 -0.51 -1.66 116.57 119.07 2nx3 h LYS 140 Ca 0.30 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 2nx3 h LYS 140 Cb -0.03 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 2nx3 h LYS 140 CO -0.05 0.73 0.36 -0.07 -0.57 0.00 0.00 179.45 179.85 2nx3 h LEU 141 N 0.50 0.81 -0.79 2.94 3.38 -0.69 -0.98 115.31 120.48 2nx3 h LEU 141 Ca 0.12 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 2nx3 h LEU 141 Cb 0.41 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2nx3 h LEU 141 CO 0.01 0.66 0.11 0.11 0.09 0.00 0.00 178.44 179.42 2nx3 h LYS 142 N 0.89 1.02 -0.85 1.13 1.57 -0.98 -1.08 116.57 118.27 2nx3 h LYS 142 Ca 0.23 -0.26 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2nx3 h LYS 142 Cb 0.03 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.16 2nx3 h LYS 142 CO -0.04 0.94 0.56 0.35 -0.57 0.00 0.00 179.45 180.69 2nx3 h PHE 143 N 0.96 1.05 0.00 -1.35 3.57 -0.78 -0.49 116.94 119.90 2nx3 h PHE 143 Ca 0.19 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.72 2nx3 h PHE 143 Cb 0.41 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.80 2nx3 h PHE 143 CO 0.03 0.63 0.00 0.41 -2.23 0.00 0.00 178.31 177.15 2nx3 n GLY 144 N -1.41 -1.10 0.00 2.40 0.00 -0.42 -4.89 105.19 99.77 2nx3 n GLY 144 Ca 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.84 0.95 3.75 -0.02 0.00 -0.19 -3.66 105.19 106.86 2nx3 n GLY 145 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 3.42 -0.05 4.61 0.00 -0.48 -4.89 121.76 122.37 2nx3 s ALA 146 Ca 0.00 0.94 0.06 0.00 0.00 0.00 0.00 51.96 52.96 2nx3 s ALA 146 Cb 0.00 -3.36 -0.09 0.00 0.00 0.00 0.00 23.12 19.67 2nx3 s ALA 146 CO 0.00 -0.26 0.05 1.63 0.00 0.00 0.00 175.76 177.18 2nx3 n LYS 147 N 1.53 2.33 -3.98 0.00 5.02 -1.26 -4.43 118.16 117.37 2nx3 n LYS 147 Ca 0.00 -0.02 -0.34 0.00 -2.02 0.00 0.00 58.31 55.94 2nx3 n LYS 147 Cb 0.45 -1.17 -0.14 0.00 -0.02 0.00 0.00 35.03 34.14 2nx3 n LYS 147 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2nx3 s GLU 148 N -2.23 2.43 -0.03 1.97 2.12 -1.26 -5.10 118.70 116.60 2nx3 s GLU 148 Ca -0.03 -1.25 0.05 0.00 0.36 0.00 0.00 54.97 54.10 2nx3 s GLU 148 Cb 0.03 -3.04 -0.01 0.00 0.26 0.00 0.00 34.13 31.37 2nx3 s GLU 148 CO 0.28 -0.56 -0.18 0.42 -0.54 0.00 0.00 175.26 174.67 2nx3 s ILE 149 N 1.21 1.43 0.10 -3.70 1.01 -1.26 -1.83 121.20 118.16 2nx3 s ILE 149 Ca -0.06 -0.75 0.08 0.00 0.00 0.00 0.00 60.65 59.92 2nx3 s ILE 149 Cb -0.19 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.03 2nx3 s ILE 149 CO -0.03 0.41 -0.21 -0.31 0.00 0.00 0.00 174.94 174.80 2nx3 s TYR 150 N -0.22 1.79 -0.10 3.97 2.02 0.09 -2.97 117.35 121.94 2nx3 s TYR 150 Ca 0.02 -0.42 0.02 0.00 -0.37 0.00 0.00 57.07 56.33 2nx3 s TYR 150 Cb -0.09 -0.99 0.01 0.00 -0.40 0.00 0.00 41.96 40.50 2nx3 s TYR 150 CO 0.01 0.20 -0.16 -0.51 -1.57 0.00 0.00 175.55 173.52 2nx3 s LEU 151 N -1.87 1.76 -0.17 -1.29 1.43 -0.31 -1.38 118.68 116.85 2nx3 s LEU 151 Ca 0.06 -0.42 -0.03 0.00 -1.03 0.00 0.00 54.13 52.72 2nx3 s LEU 151 Cb -0.10 -1.07 -0.02 0.00 0.03 0.00 0.00 46.19 45.03 2nx3 s LEU 151 CO 0.04 0.04 -0.07 -0.89 0.23 0.00 0.00 176.35 175.70 2nx3 s THR 152 N 0.81 3.42 -0.20 5.49 2.01 -0.15 -0.83 115.64 126.19 2nx3 s THR 152 Ca -0.10 -0.51 -0.27 0.00 0.31 0.00 0.00 61.69 61.11 2nx3 s THR 152 Cb -0.16 -2.50 -0.00 0.00 0.01 0.00 0.00 72.50 69.85 2nx3 s THR 152 CO 0.01 0.48 0.94 -0.70 -0.69 0.00 0.00 174.62 174.67 2nx3 s GLU 153 N 0.74 4.28 -0.05 4.92 2.56 0.87 -1.15 118.70 130.87 2nx3 s GLU 153 Ca -0.03 1.20 0.12 0.00 0.00 0.00 0.00 54.97 56.26 2nx3 s GLU 153 Cb -0.15 -3.61 0.21 0.00 2.00 0.00 0.00 34.13 32.58 2nx3 s GLU 153 CO 0.02 -0.49 1.10 2.89 -0.56 0.00 0.00 175.26 178.21 2nx3 n ARG 154 N 5.81 0.43 0.00 4.30 1.85 -1.26 -0.77 116.66 127.03 2nx3 n ARG 154 Ca 0.08 -1.83 0.00 0.00 -1.00 0.00 0.00 57.85 55.11 2nx3 n ARG 154 Cb 0.47 -0.70 0.00 0.00 -1.05 0.00 0.00 32.46 31.19 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 -0.28 1.45 3.04 2.89 0.00 -1.26 -3.75 105.19 107.27 2nx3 n GLY 155 Ca 0.07 -1.89 -0.19 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 -2.59 0.76 -0.16 2.61 2.01 -0.14 -4.40 115.64 113.74 2nx3 s THR 156 Ca 0.00 -0.47 -0.36 0.00 0.31 0.00 0.00 61.69 61.18 2nx3 s THR 156 Cb 0.00 -0.65 -0.12 0.00 0.01 0.00 0.00 72.50 71.73 2nx3 s THR 156 CO 0.00 0.18 1.88 0.41 -0.69 0.00 0.00 174.62 176.40 2nx3 n THR 157 N 2.73 0.49 -3.75 -0.82 -1.04 -0.71 -1.50 114.28 109.68 2nx3 n THR 157 Ca -0.14 -0.11 -0.30 0.00 -2.04 0.00 0.00 64.05 61.46 2nx3 n THR 157 Cb 0.57 -1.72 -0.14 0.00 -1.82 0.00 0.00 70.33 67.22 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 4.31 2.13 0.00 -1.42 5.36 -0.39 -4.88 117.98 123.09 2nx3 s PHE 158 Ca 0.96 -2.41 0.00 0.00 -0.96 0.00 0.00 56.93 54.52 2nx3 s PHE 158 Cb -0.79 -2.00 0.00 0.00 -0.34 0.00 0.00 43.02 39.89 2nx3 s PHE 158 CO 0.55 -0.80 0.00 0.41 -1.46 0.00 0.00 175.22 173.91 2nx3 n GLY 159 N 3.77 -0.36 3.86 13.12 0.00 -1.26 -4.22 105.19 120.08 2nx3 n GLY 159 Ca 0.06 -1.08 -0.37 0.00 0.00 0.00 0.00 46.02 44.63 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 3.67 -1.45 1.61 2.02 -1.26 -4.40 117.35 117.53 2nx3 s TYR 160 Ca 0.00 0.81 -0.09 0.00 -0.37 0.00 0.00 57.07 57.42 2nx3 s TYR 160 Cb 0.00 -2.15 0.04 0.00 -0.40 0.00 0.00 41.96 39.45 2nx3 s TYR 160 CO 0.00 0.66 0.73 0.09 -1.57 0.00 0.00 175.55 175.46 2nx3 n ASN 161 N 1.72 -5.21 -3.66 2.29 4.13 -1.26 -4.96 115.26 108.31 2nx3 n ASN 161 Ca -0.15 -0.45 -0.15 0.00 1.68 0.00 0.00 54.58 55.51 2nx3 n ASN 161 Cb 0.53 -4.20 -0.08 0.00 -1.54 0.00 0.00 39.78 34.49 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 -2.91 -0.50 0.10 6.41 2.47 -1.26 -4.13 114.94 115.11 2nx3 s ASN 162 Ca 0.45 0.72 0.07 0.00 0.42 0.00 0.00 52.86 54.52 2nx3 s ASN 162 Cb -0.22 0.74 -0.03 0.00 -1.45 0.00 0.00 41.25 40.29 2nx3 s ASN 162 CO 0.55 -0.38 -0.17 -0.76 -3.72 0.00 0.00 177.10 172.61 2nx3 s LEU 163 N -0.58 2.32 0.05 3.21 1.43 -1.26 -1.26 118.68 122.59 2nx3 s LEU 163 Ca -0.07 -0.69 0.04 0.00 -1.03 0.00 0.00 54.13 52.38 2nx3 s LEU 163 Cb -0.03 -0.71 -0.02 0.00 0.03 0.00 0.00 46.19 45.46 2nx3 s LEU 163 CO 0.04 -0.02 -0.13 0.54 0.23 0.00 0.00 176.35 177.01 2nx3 s VAL 164 N -1.40 0.99 -0.27 -1.59 0.11 -0.56 -4.87 120.40 112.81 2nx3 s VAL 164 Ca 0.05 -1.10 -0.10 0.00 -2.93 0.00 0.00 61.98 57.90 2nx3 s VAL 164 Cb -0.09 -0.94 -0.04 0.00 -1.53 0.00 0.00 36.38 33.78 2nx3 s VAL 164 CO 0.04 -0.14 0.15 -0.69 -3.33 0.00 0.00 175.10 171.13 2nx3 s VAL 165 N -1.06 4.96 -0.67 2.04 1.01 -1.26 -0.96 120.40 124.46 2nx3 s VAL 165 Ca -0.02 0.03 -0.18 0.00 0.00 0.00 0.00 61.98 61.81 2nx3 s VAL 165 Cb -0.09 -3.36 0.13 0.00 0.00 0.00 0.00 36.38 33.06 2nx3 s VAL 165 CO 0.01 0.26 0.75 -0.62 0.00 0.00 0.00 175.10 175.50 2nx3 s ASP 166 N 1.71 6.33 0.00 3.32 -1.08 -1.26 -4.90 116.67 120.79 2nx3 s ASP 166 Ca 0.07 -1.75 0.07 0.00 -0.52 0.00 0.00 52.55 50.41 2nx3 s ASP 166 Cb -0.16 -2.29 0.32 0.00 -1.46 0.00 0.00 42.92 39.34 2nx3 s ASP 166 CO 0.08 -1.00 1.10 0.49 0.52 0.00 0.00 175.17 176.37 2nx3 n PHE 167 N 5.87 0.00 0.29 -5.34 3.72 -1.26 -1.24 117.46 119.50 2nx3 n PHE 167 Ca -0.02 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.56 2nx3 n PHE 167 Cb 0.44 -0.33 0.81 0.00 -0.94 0.00 0.00 39.48 39.45 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 -0.09 -1.08 3.08 -2.03 -2.93 114.38 111.32 2nx3 h ARG 168 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 2nx3 h ARG 168 Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 2nx3 h ARG 168 CO 0.00 0.01 -0.33 0.66 -1.07 0.00 0.00 179.97 179.24 2nx3 h SER 169 N 0.00 0.18 0.45 7.04 4.64 -1.60 -3.02 113.55 121.24 2nx3 h SER 169 Ca -0.00 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.25 2nx3 h SER 169 Cb 0.39 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.41 2nx3 h SER 169 CO 0.00 0.51 -0.37 -0.07 -0.87 0.00 0.00 176.83 176.03 2nx3 h LEU 170 N 0.16 -0.97 -1.16 5.97 4.07 -1.73 0.16 115.31 121.80 2nx3 h LEU 170 Ca 0.02 0.07 -0.01 0.00 0.08 0.00 0.00 57.88 58.05 2nx3 h LEU 170 Cb 0.67 0.31 -0.04 0.00 1.08 0.00 0.00 40.66 42.68 2nx3 h LEU 170 CO 0.05 -0.53 0.42 -0.65 -1.08 0.00 0.00 178.44 176.65 2nx3 h PRO 171 N -0.81 1.00 0.12 1.13 0.11 -1.75 -1.82 132.00 129.97 2nx3 h PRO 171 Ca -0.04 -0.10 -0.01 0.00 0.11 0.00 0.00 66.00 65.96 2nx3 h PRO 171 Cb 0.70 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.61 2nx3 h PRO 171 CO -0.01 0.72 -0.06 0.82 -0.21 0.00 0.00 178.00 179.25 2nx3 h ILE 172 N 1.01 0.98 0.00 4.15 2.04 -1.34 -3.17 117.51 121.18 2nx3 h ILE 172 Ca 0.26 -0.40 -0.07 0.00 1.00 0.00 0.00 64.86 65.65 2nx3 h ILE 172 Cb -0.01 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 2nx3 h ILE 172 CO -0.05 0.10 -0.32 0.24 0.00 0.00 0.00 178.15 178.12 2nx3 h MET 173 N -0.35 0.00 0.00 2.37 2.86 -0.59 -2.89 114.93 116.33 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 0.28 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.94 2nx3 h MET 173 CO 0.03 0.32 0.00 -0.22 1.06 0.00 0.00 176.91 178.10 2nx3 h LYS 174 N 0.00 0.00 0.00 1.72 1.63 -1.30 -1.29 116.57 117.33 2nx3 h LYS 174 Ca -0.00 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.75 2nx3 h LYS 174 Cb 0.78 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.40 2nx3 h LYS 174 CO 0.04 0.00 -0.23 1.96 -3.45 0.00 0.00 179.45 177.77 2nx3 h GLN 175 N 0.00 0.00 0.00 1.90 4.20 -1.60 -3.31 115.11 116.31 2nx3 h GLN 175 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2nx3 h GLN 175 Cb 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 2nx3 h GLN 175 CO 0.00 0.23 -0.75 0.91 -0.67 0.00 0.00 178.83 178.55 2nx3 n TRP 176 N -3.52 0.00 -3.79 2.96 8.01 -0.52 -5.10 117.44 115.48 2nx3 n TRP 176 Ca -0.01 0.00 -0.03 0.00 -1.31 0.00 0.00 57.50 56.16 2nx3 n TRP 176 Cb 0.39 -0.06 0.00 0.00 -2.01 0.00 0.00 31.31 29.63 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 -1.92 -1.69 0.40 6.99 0.00 -0.98 -5.01 121.76 119.55 2nx3 s ALA 177 Ca -0.00 -0.01 -0.24 0.00 0.00 0.00 0.00 51.96 51.71 2nx3 s ALA 177 Cb 0.04 0.66 -0.09 0.00 0.00 0.00 0.00 23.12 23.73 2nx3 s ALA 177 CO 0.21 -1.06 1.09 0.15 0.00 0.00 0.00 175.76 176.16 2nx3 s LYS 178 N -2.73 4.10 -0.10 0.00 1.02 -1.16 -4.07 119.74 116.80 2nx3 s LYS 178 Ca 0.16 1.63 0.02 0.00 0.02 0.00 0.00 55.97 57.80 2nx3 s LYS 178 Cb -0.01 -2.58 -0.01 0.00 -0.52 0.00 0.00 37.83 34.71 2nx3 s LYS 178 CO 0.03 -0.23 -0.16 0.08 -0.92 0.00 0.00 175.35 174.15 2nx3 s VAL 179 N -1.57 2.82 0.02 3.17 1.01 -1.26 -1.16 120.40 123.43 2nx3 s VAL 179 Ca 0.58 -0.76 0.07 0.00 0.00 0.00 0.00 61.98 61.87 2nx3 s VAL 179 Cb -0.25 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 2nx3 s VAL 179 CO 0.31 0.55 -0.20 -0.63 0.00 0.00 0.00 175.10 175.14 2nx3 s ILE 180 N 0.08 2.65 -0.22 2.22 -1.09 -0.01 0.11 121.20 124.93 2nx3 s ILE 180 Ca -0.07 -1.11 -0.05 0.00 -2.23 0.00 0.00 60.65 57.19 2nx3 s ILE 180 Cb -0.15 -2.06 -0.02 0.00 -1.58 0.00 0.00 42.46 38.65 2nx3 s ILE 180 CO 0.05 0.43 0.00 -0.47 -1.23 0.00 0.00 174.94 173.72 2nx3 s TYR 181 N -0.83 3.02 -0.71 3.97 5.04 -0.66 -0.09 117.35 127.09 2nx3 s TYR 181 Ca 0.13 -0.64 -0.23 0.00 -2.44 0.00 0.00 57.07 53.88 2nx3 s TYR 181 Cb -0.10 -2.14 0.07 0.00 0.35 0.00 0.00 41.96 40.14 2nx3 s TYR 181 CO 0.03 -0.40 1.06 0.34 -1.34 0.00 0.00 175.55 175.24 2nx3 s ASP 182 N 1.37 6.22 0.51 4.32 -1.08 0.05 -0.16 116.67 127.90 2nx3 s ASP 182 Ca 0.05 -1.00 0.29 0.00 -0.52 0.00 0.00 52.55 51.37 2nx3 s ASP 182 Cb -0.15 -2.45 1.27 0.00 -1.46 0.00 0.00 42.92 40.13 2nx3 s ASP 182 CO 0.00 -1.49 1.96 0.00 0.52 0.00 0.00 175.17 176.17 2nx3 h ALA 183 N 9.61 1.07 0.00 3.66 0.00 -1.35 -3.07 119.26 129.18 2nx3 h ALA 183 Ca -0.23 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.50 2nx3 h ALA 183 Cb 1.06 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2nx3 h ALA 183 CO 1.21 0.15 -0.41 1.15 0.00 0.00 0.00 179.25 181.35 2nx3 h THR 184 N 0.00 1.52 0.00 0.00 2.02 -1.90 -3.39 112.91 111.16 2nx3 h THR 184 Ca -0.00 -2.30 -0.02 0.00 0.77 0.00 0.00 66.41 64.86 2nx3 h THR 184 Cb 0.53 3.03 -0.00 0.00 -1.74 0.00 0.00 68.15 69.98 2nx3 h THR 184 CO 0.02 0.52 -0.33 0.45 0.37 0.00 0.00 175.52 176.55 2nx3 h HIS 185 N -0.98 0.00 0.00 3.16 3.86 -1.90 -3.29 115.15 116.00 2nx3 h HIS 185 Ca -0.11 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.10 2nx3 h HIS 185 Cb 1.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.58 2nx3 h HIS 185 CO 0.22 0.07 0.00 0.77 0.86 0.00 0.00 177.93 179.85 2nx3 h SER 186 N 0.00 0.00 -0.16 2.45 0.02 -1.62 -0.62 113.55 113.61 2nx3 h SER 186 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2nx3 h SER 186 Cb 1.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.60 2nx3 h SER 186 CO 0.01 0.00 0.00 1.33 -1.14 0.00 0.00 176.83 177.03 2nx3 n VAL 187 N -2.60 1.85 -2.96 2.27 0.24 -1.24 -4.68 118.33 111.21 2nx3 n VAL 187 Ca -0.01 -1.79 -0.34 0.00 -2.04 0.00 0.00 64.34 60.16 2nx3 n VAL 187 Cb 0.12 -0.07 -0.06 0.00 -1.47 0.00 0.00 33.84 32.36 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 -2.40 4.24 -0.51 7.34 0.74 -0.24 -1.67 119.66 127.16 2nx3 s GLN 188 Ca 0.32 0.98 -0.02 0.00 0.05 0.00 0.00 55.36 56.69 2nx3 s GLN 188 Cb 0.26 -2.52 0.13 0.00 1.10 0.00 0.00 33.01 31.98 2nx3 s GLN 188 CO 0.07 0.17 0.31 -0.51 -0.55 0.00 0.00 175.29 174.78 2nx3 s LEU 189 N -2.65 5.13 -0.13 3.68 1.43 0.03 -4.23 118.68 121.93 2nx3 s LEU 189 Ca 0.54 -2.50 -0.40 0.00 -1.03 0.00 0.00 54.13 50.74 2nx3 s LEU 189 Cb -0.13 -1.81 -0.17 0.00 0.03 0.00 0.00 46.19 44.11 2nx3 s LEU 189 CO 0.18 -0.43 1.47 -2.65 0.23 0.00 0.00 176.35 175.15 2nx3 n PRO 190 N 3.94 0.80 -0.89 1.29 -0.02 -1.26 -1.17 135.00 137.70 2nx3 n PRO 190 Ca 0.03 0.29 -0.05 0.00 -2.02 0.00 0.00 63.50 61.76 2nx3 n PRO 190 Cb 0.39 -1.91 -0.02 0.00 -0.02 0.00 0.00 33.50 31.94 2nx3 n PRO 190 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nx3 n GLY 191 N 3.13 0.47 0.33 -1.23 0.00 -1.26 -4.13 105.19 102.50 2nx3 n GLY 191 Ca 0.23 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.35 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 0.42 -3.29 -0.02 0.00 -1.11 -2.60 103.07 96.47 2nx3 h GLY 192 Ca -0.10 -0.13 -0.19 0.00 0.00 0.00 0.00 47.33 46.91 2nx3 h GLY 192 CO 0.15 0.10 0.24 1.04 0.00 0.00 0.00 176.54 178.07 2nx3 n LEU 193 N -4.47 5.32 0.00 3.11 4.77 -0.22 -4.81 117.00 120.71 2nx3 n LEU 193 Ca 0.06 -2.76 0.00 0.00 -0.03 0.00 0.00 56.01 53.27 2nx3 n LEU 193 Cb 0.27 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 2nx3 n LEU 193 CO 0.35 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.74 2nx3 n GLY 194 N -0.10 1.64 1.65 -0.72 0.00 -0.98 -3.81 105.19 102.87 2nx3 n GLY 194 Ca 0.34 -0.28 0.08 0.00 0.00 0.00 0.00 46.02 46.16 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 4.90 4.93 -3.38 1.61 5.68 -1.26 -4.89 116.55 124.14 2nx3 n ASP 195 Ca 0.00 -2.58 -0.12 0.00 -0.50 0.00 0.00 54.79 51.58 2nx3 n ASP 195 Cb 0.00 -0.61 -0.03 0.00 -1.14 0.00 0.00 41.12 39.34 2nx3 n ASP 195 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 2nx3 s LYS 196 N -2.13 1.88 0.08 0.11 1.02 -1.25 -3.92 119.74 115.55 2nx3 s LYS 196 Ca 0.50 -1.57 0.06 0.00 0.02 0.00 0.00 55.97 54.99 2nx3 s LYS 196 Cb 0.35 0.49 -0.04 0.00 -0.52 0.00 0.00 37.83 38.10 2nx3 s LYS 196 CO 0.21 -0.80 -0.09 -1.12 -0.92 0.00 0.00 175.35 172.63 2nx3 s SER 197 N -3.15 4.48 0.00 2.83 0.01 -1.26 -1.05 113.70 115.56 2nx3 s SER 197 Ca 0.25 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 57.19 2nx3 s SER 197 Cb -0.01 -0.91 0.00 0.00 0.21 0.00 0.00 66.02 65.31 2nx3 s SER 197 CO 0.16 0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.61 2nx3 n GLY 198 N 0.86 3.17 3.64 3.44 0.00 -0.79 -4.66 105.19 110.86 2nx3 n GLY 198 Ca -0.14 -2.08 -0.02 0.00 0.00 0.00 0.00 46.02 43.79 2nx3 n GLY 198 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2nx3 s GLY 199 N -1.07 -0.23 -0.62 -0.02 0.00 -1.26 -0.79 107.32 103.33 2nx3 s GLY 199 Ca 0.00 1.82 0.02 0.00 0.00 0.00 0.00 44.72 46.56 2nx3 s GLY 199 CO 0.00 0.60 0.40 1.06 0.00 0.00 0.00 173.10 175.16 2nx3 s MET 200 N -2.07 2.36 0.56 2.90 -1.94 -0.67 -4.87 119.30 115.57 2nx3 s MET 200 Ca 0.12 -2.80 0.25 0.00 -1.71 0.00 0.00 55.69 51.54 2nx3 s MET 200 Cb -0.00 -3.51 1.62 0.00 2.01 0.00 0.00 34.83 34.94 2nx3 s MET 200 CO -0.03 -1.18 2.21 -0.09 -0.01 0.00 0.00 175.02 175.92 2nx3 h ARG 201 N 6.38 0.00 0.00 2.03 2.43 -1.86 -2.32 114.38 121.03 2nx3 h ARG 201 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2nx3 h ARG 201 Cb 0.87 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.42 2nx3 h ARG 201 CO 0.72 0.00 -0.01 1.05 -1.51 0.00 0.00 179.97 180.22 2nx3 h GLU 202 N 0.00 0.00 -0.01 0.20 9.09 -1.94 -2.22 114.58 119.71 2nx3 h GLU 202 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.42 2nx3 h GLU 202 Cb 0.05 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.15 2nx3 h GLU 202 CO -0.00 0.01 -0.51 1.19 0.05 0.00 0.00 179.01 179.75 2nx3 n PHE 203 N -3.77 0.00 0.17 2.06 3.72 -0.87 -4.52 117.46 114.25 2nx3 n PHE 203 Ca -0.03 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.22 2nx3 n PHE 203 Cb 0.09 -0.07 -0.07 0.00 -0.94 0.00 0.00 39.48 38.48 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 1.26 0.20 0.08 4.37 2.04 -1.51 -2.06 117.51 121.90 2nx3 h ILE 204 Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 2nx3 h ILE 204 Cb 0.60 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 2nx3 h ILE 204 CO 0.00 0.00 -0.04 0.15 0.00 0.00 0.00 178.15 178.26 2nx3 h PHE 205 N -0.70 -0.10 -0.62 1.37 3.57 -1.79 -2.27 116.94 116.39 2nx3 h PHE 205 Ca -0.00 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.62 2nx3 h PHE 205 Cb 0.68 0.03 -0.10 0.00 2.79 0.00 0.00 35.95 39.35 2nx3 h PHE 205 CO -0.29 0.03 0.06 -1.35 -2.23 0.00 0.00 178.31 174.54 2nx3 h PRO 206 N -0.21 0.17 0.00 6.41 0.11 -1.79 -1.15 132.00 135.54 2nx3 h PRO 206 Ca -0.01 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 2nx3 h PRO 206 Cb 0.18 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.25 2nx3 h PRO 206 CO 0.02 0.11 -0.05 -0.07 -0.21 0.00 0.00 178.00 177.80 2nx3 h LEU 207 N 0.18 0.00 -0.19 2.35 4.07 -1.27 -2.42 115.31 118.03 2nx3 h LEU 207 Ca 0.33 0.00 -0.22 0.00 0.08 0.00 0.00 57.88 58.07 2nx3 h LEU 207 Cb 0.53 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.28 2nx3 h LEU 207 CO -0.49 0.05 -0.77 0.40 -1.08 0.00 0.00 178.44 176.56 2nx3 h ILE 208 N 0.00 1.28 -0.66 1.22 2.04 -0.63 -1.61 117.51 119.16 2nx3 h ILE 208 Ca -0.00 -1.98 0.00 0.00 1.00 0.00 0.00 64.86 63.88 2nx3 h ILE 208 Cb 0.68 1.98 -0.03 0.00 -0.74 0.00 0.00 36.82 38.71 2nx3 h ILE 208 CO 0.01 0.63 0.41 0.03 0.00 0.00 0.00 178.15 179.22 2nx3 h ARG 209 N 0.53 0.88 0.01 2.37 3.08 -1.04 -1.97 114.38 118.24 2nx3 h ARG 209 Ca -0.05 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 59.94 2nx3 h ARG 209 Cb 1.39 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 31.24 2nx3 h ARG 209 CO 0.16 0.61 -0.06 0.00 -1.07 0.00 0.00 179.97 179.61 2nx3 h ALA 210 N 1.22 -0.06 -0.37 0.04 0.00 -1.32 -0.66 119.26 118.10 2nx3 h ALA 210 Ca 0.24 0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.22 2nx3 h ALA 210 Cb -0.06 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 2nx3 h ALA 210 CO -0.05 -0.55 -0.04 0.00 0.00 0.00 0.00 179.25 178.60 2nx3 h ALA 211 N 0.88 0.30 -0.12 0.00 0.00 -0.82 0.22 119.26 119.72 2nx3 h ALA 211 Ca 0.02 0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 2nx3 h ALA 211 Cb 0.13 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2nx3 h ALA 211 CO -0.06 -0.43 -0.53 -0.39 0.00 0.00 0.00 179.25 177.85 2nx3 h VAL 212 N 0.05 1.35 -0.20 0.00 -1.51 -1.27 0.19 116.25 114.86 2nx3 h VAL 212 Ca 0.18 -1.79 0.01 0.00 -1.23 0.00 0.00 66.70 63.86 2nx3 h VAL 212 Cb 0.27 1.83 -0.01 0.00 -2.13 0.00 0.00 31.29 31.25 2nx3 h VAL 212 CO -0.34 0.54 0.12 0.00 -1.23 0.00 0.00 177.57 176.65 2nx3 h ALA 213 N 1.18 0.24 -0.17 5.19 0.00 -0.15 -2.66 119.26 122.89 2nx3 h ALA 213 Ca 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2nx3 h ALA 213 Cb 1.02 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2nx3 h ALA 213 CO 0.09 -0.29 0.05 0.28 0.00 0.00 0.00 179.25 179.38 2nx3 h VAL 214 N 0.24 1.19 0.00 0.00 2.07 -0.39 -3.47 116.25 115.88 2nx3 h VAL 214 Ca 0.08 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.01 2nx3 h VAL 214 Cb -0.01 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2nx3 h VAL 214 CO -0.03 0.18 0.00 0.61 0.02 0.00 0.00 177.57 178.35 2nx3 n GLY 215 N -0.58 2.53 3.31 2.17 0.00 0.65 -4.89 105.19 108.38 2nx3 n GLY 215 Ca -0.05 -0.89 -0.12 0.00 0.00 0.00 0.00 46.02 44.97 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 0.88 0.00 0.00 8.00 0.12 -5.00 116.55 120.17 2nx3 n ASP 217 Ca 0.01 -0.68 0.00 0.00 0.71 0.00 0.00 54.79 54.83 2nx3 n ASP 217 Cb 0.65 0.34 0.00 0.00 -0.02 0.00 0.00 41.12 42.09 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 1.44 0.47 3.23 0.44 0.00 -1.11 -2.13 105.19 107.54 2nx3 n GLY 218 Ca 0.08 -0.87 -0.22 0.00 0.00 0.00 0.00 46.02 45.01 2nx3 n GLY 218 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2nx3 s VAL 219 N -2.00 1.48 -0.18 1.61 -7.23 -0.04 -1.65 120.40 112.39 2nx3 s VAL 219 Ca 0.00 -1.34 -0.02 0.00 -1.81 0.00 0.00 61.98 58.81 2nx3 s VAL 219 Cb 0.00 -1.35 -0.00 0.00 0.56 0.00 0.00 36.38 35.59 2nx3 s VAL 219 CO 0.00 -0.03 -0.11 0.12 -0.31 0.00 0.00 175.10 174.77 2nx3 s PHE 220 N -1.07 2.87 -0.04 2.82 5.36 0.77 -0.96 117.98 127.74 2nx3 s PHE 220 Ca 0.04 -1.01 -0.02 0.00 -0.96 0.00 0.00 56.93 54.99 2nx3 s PHE 220 Cb -0.09 -1.98 0.03 0.00 -0.34 0.00 0.00 43.02 40.63 2nx3 s PHE 220 CO 0.03 -0.50 0.05 -1.64 -1.46 0.00 0.00 175.22 171.70 2nx3 s MET 221 N 1.09 -0.02 0.14 10.12 -1.94 0.48 -0.97 119.30 128.20 2nx3 s MET 221 Ca 0.00 0.34 -0.14 0.00 -1.71 0.00 0.00 55.69 54.18 2nx3 s MET 221 Cb -0.15 -0.51 -0.07 0.00 2.01 0.00 0.00 34.83 36.12 2nx3 s MET 221 CO -0.03 -0.31 0.54 -1.21 -0.01 0.00 0.00 175.02 174.01 2nx3 s GLU 222 N 2.01 3.97 0.26 2.03 2.02 -1.26 -3.18 118.70 124.55 2nx3 s GLU 222 Ca 0.03 0.48 0.01 0.00 0.02 0.00 0.00 54.97 55.51 2nx3 s GLU 222 Cb -0.12 -2.93 -0.04 0.00 0.10 0.00 0.00 34.13 31.13 2nx3 s GLU 222 CO -0.03 0.48 0.13 -0.08 0.02 0.00 0.00 175.26 175.78 2nx3 s THR 223 N -1.46 0.31 -0.19 3.63 -1.32 0.20 -2.00 115.64 114.80 2nx3 s THR 223 Ca 0.38 -2.00 -0.28 0.00 -1.21 0.00 0.00 61.69 58.58 2nx3 s THR 223 Cb -0.15 -2.55 0.11 0.00 -1.51 0.00 0.00 72.50 68.39 2nx3 s THR 223 CO 0.19 0.00 0.92 -2.28 -2.21 0.00 0.00 174.62 171.24 2nx3 s HIS 224 N -3.81 -0.50 0.25 9.09 2.46 -0.52 -3.59 115.29 118.68 2nx3 s HIS 224 Ca 0.38 1.04 -0.05 0.00 0.47 0.00 0.00 55.06 56.90 2nx3 s HIS 224 Cb 0.06 0.39 0.29 0.00 -0.13 0.00 0.00 32.58 33.20 2nx3 s HIS 224 CO 0.15 -0.36 1.86 -1.35 -2.47 0.00 0.00 174.74 172.57 2nx3 h PRO 225 N 3.45 1.12 -2.69 2.88 0.11 -1.95 -1.55 132.00 133.37 2nx3 h PRO 225 Ca -0.24 -0.15 -0.60 0.00 0.11 0.00 0.00 66.00 65.11 2nx3 h PRO 225 Cb 1.16 -0.21 -0.40 0.00 0.11 0.00 0.00 31.00 31.66 2nx3 h PRO 225 CO 0.23 0.85 -0.80 -1.21 -0.21 0.00 0.00 178.00 176.86 2nx3 s GLU 226 N -5.67 1.58 0.32 1.05 2.02 -1.26 -4.53 118.70 112.21 2nx3 s GLU 226 Ca -0.12 -2.63 0.05 0.00 0.02 0.00 0.00 54.97 52.29 2nx3 s GLU 226 Cb 0.17 -2.30 0.86 0.00 0.10 0.00 0.00 34.13 32.96 2nx3 s GLU 226 CO 0.82 -1.34 1.56 -2.30 0.02 0.00 0.00 175.26 174.02 2nx3 n PRO 227 N 2.50 -0.08 0.04 0.39 -0.02 -1.26 -0.36 135.00 136.23 2nx3 n PRO 227 Ca 0.25 1.47 0.12 0.00 -2.02 0.00 0.00 63.50 63.32 2nx3 n PRO 227 Cb 0.42 -2.39 0.58 0.00 -0.02 0.00 0.00 33.50 32.09 2nx3 n PRO 227 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2nx3 h GLU 228 N 0.00 0.20 -0.12 -0.52 3.07 -1.92 -1.90 114.58 113.38 2nx3 h GLU 228 Ca 0.65 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.49 2nx3 h GLU 228 Cb 1.42 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.28 2nx3 h GLU 228 CO -0.91 0.13 0.00 1.63 -1.40 0.00 0.00 179.01 178.46 2nx3 n LYS 229 N -4.47 1.96 -1.86 2.33 5.02 0.52 -4.96 118.16 116.70 2nx3 n LYS 229 Ca 0.05 -1.42 -0.41 0.00 -2.02 0.00 0.00 58.31 54.51 2nx3 n LYS 229 Cb 0.32 -1.46 -0.01 0.00 -0.02 0.00 0.00 35.03 33.86 2nx3 n LYS 229 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2nx3 s ALA 230 N -1.86 3.59 -1.68 7.82 0.00 -0.71 -4.88 121.76 124.04 2nx3 s ALA 230 Ca 0.34 1.51 0.18 0.00 0.00 0.00 0.00 51.96 53.99 2nx3 s ALA 230 Cb 0.20 -3.59 1.00 0.00 0.00 0.00 0.00 23.12 20.73 2nx3 s ALA 230 CO 0.30 -0.96 1.53 1.28 0.00 0.00 0.00 175.76 177.91 2nx3 n LEU 231 N 0.85 0.00 -3.63 0.00 4.77 -1.26 -4.46 117.00 113.26 2nx3 n LEU 231 Ca 0.02 0.16 -0.10 0.00 -0.03 0.00 0.00 56.01 56.06 2nx3 n LEU 231 Cb 0.39 -0.16 -0.07 0.00 -2.33 0.00 0.00 43.42 41.26 2nx3 n LEU 231 CO 0.63 -0.07 0.71 -0.94 -1.33 0.00 0.00 177.39 176.39 2nx3 s SER 232 N -2.32 -0.47 -1.73 -1.43 1.04 -1.26 -4.51 113.70 103.02 2nx3 s SER 232 Ca 0.22 0.88 0.00 0.00 0.48 0.00 0.00 55.95 57.53 2nx3 s SER 232 Cb 0.12 0.88 0.00 0.00 0.10 0.00 0.00 66.02 67.12 2nx3 s SER 232 CO 0.25 -0.18 0.00 0.47 0.98 0.00 0.00 173.24 174.76 2nx3 n ASP 233 N 2.12 -5.18 -0.17 7.02 8.00 -1.26 -4.83 116.55 122.25 2nx3 n ASP 233 Ca -0.12 0.24 -0.03 0.00 0.71 0.00 0.00 54.79 55.59 2nx3 n ASP 233 Cb 0.56 -4.25 0.04 0.00 -0.02 0.00 0.00 41.12 37.45 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 0.38 0.32 0.00 2.24 0.00 -1.81 0.22 119.26 120.61 2nx3 h ALA 234 Ca -0.39 0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2nx3 h ALA 234 Cb 1.23 0.43 0.00 0.00 0.00 0.00 0.00 17.79 19.46 2nx3 h ALA 234 CO 0.52 -0.45 0.02 -0.35 0.00 0.00 0.00 179.25 178.98 2nx3 n PRO 235 N -5.39 0.00 0.00 0.00 -0.04 -1.26 -2.32 135.00 125.99 2nx3 n PRO 235 Ca 0.05 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 2nx3 n PRO 235 Cb 0.29 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 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 -1.12 0.00 -2.20 0.52 -2.24 0.04 -4.06 114.28 105.22 2nx3 n THR 236 Ca 0.00 -0.46 -0.41 0.00 -2.27 0.00 0.00 64.05 60.90 2nx3 n THR 236 Cb 0.02 1.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.22 2nx3 n THR 236 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2nx3 s ALA 237 N -0.93 3.53 0.21 6.98 0.00 -0.98 -4.87 121.76 125.70 2nx3 s ALA 237 Ca 0.00 1.13 -0.20 0.00 0.00 0.00 0.00 51.96 52.89 2nx3 s ALA 237 Cb 0.00 -3.48 -0.08 0.00 0.00 0.00 0.00 23.12 19.56 2nx3 s ALA 237 CO 0.00 -0.55 0.72 -0.51 0.00 0.00 0.00 175.76 175.42 2nx3 s LEU 238 N -0.30 4.38 0.25 0.00 1.43 -0.85 -4.77 118.68 118.82 2nx3 s LEU 238 Ca 0.56 1.43 -0.30 0.00 -1.03 0.00 0.00 54.13 54.78 2nx3 s LEU 238 Cb -0.37 -3.52 -0.11 0.00 0.03 0.00 0.00 46.19 42.22 2nx3 s LEU 238 CO 0.40 0.06 1.57 -2.84 0.23 0.00 0.00 176.35 175.77 2nx3 s PRO 239 N -1.85 4.17 0.35 1.29 0.02 -1.26 -1.43 135.00 136.29 2nx3 s PRO 239 Ca 0.41 2.48 0.12 0.00 0.02 0.00 0.00 61.00 64.03 2nx3 s PRO 239 Cb -0.17 -3.07 0.93 0.00 0.02 0.00 0.00 34.50 32.21 2nx3 s PRO 239 CO 0.21 -0.59 1.76 1.25 -0.33 0.00 0.00 177.00 179.31 2nx3 h LEU 240 N 5.45 0.61 -0.18 -5.54 5.85 -1.51 -0.47 115.31 119.52 2nx3 h LEU 240 Ca -0.46 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.37 2nx3 h LEU 240 Cb 1.21 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 2nx3 h LEU 240 CO 0.83 0.15 0.00 -1.54 -0.34 0.00 0.00 178.44 177.54 2nx3 n SER 241 N -4.74 0.19 0.01 1.25 3.41 -1.26 -3.03 113.62 109.45 2nx3 n SER 241 Ca 0.25 0.54 0.12 0.00 -0.26 0.00 0.00 58.87 59.52 2nx3 n SER 241 Cb 0.74 -0.58 0.16 0.00 -0.26 0.00 0.00 64.21 64.26 2nx3 n SER 241 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2nx3 n GLN 242 N -1.70 0.09 -0.05 4.33 6.02 -0.19 -4.42 117.38 121.46 2nx3 n GLN 242 Ca 0.03 0.01 -0.08 0.00 -0.01 0.00 0.00 57.00 56.95 2nx3 n GLN 242 Cb 0.20 -1.54 -0.02 0.00 1.02 0.00 0.00 30.24 29.90 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 -0.01 -0.19 1.08 3.38 -1.63 -2.97 115.31 114.98 2nx3 h LEU 243 Ca 0.00 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.06 2nx3 h LEU 243 Cb 0.58 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.32 2nx3 h LEU 243 CO 0.00 0.03 -0.21 -0.08 0.09 0.00 0.00 178.44 178.27 2nx3 h GLU 244 N 0.12 -0.23 -0.72 1.13 4.81 -1.82 -0.17 114.58 117.70 2nx3 h GLU 244 Ca 0.11 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.45 2nx3 h GLU 244 Cb 0.11 0.05 -0.08 0.00 0.63 0.00 0.00 28.75 29.47 2nx3 h GLU 244 CO -0.15 -0.16 0.35 0.78 -0.73 0.00 0.00 179.01 179.11 2nx3 h GLY 245 N -0.24 1.09 0.97 1.92 0.00 -1.82 -0.97 103.07 104.03 2nx3 h GLY 245 Ca 0.12 -0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.18 2nx3 h GLY 245 CO -0.33 0.03 0.09 -2.22 0.00 0.00 0.00 176.54 174.11 2nx3 h ILE 246 N 0.58 1.25 -0.65 2.60 2.04 -1.21 -2.15 117.51 119.97 2nx3 h ILE 246 Ca 0.36 -0.89 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 2nx3 h ILE 246 Cb 0.42 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 2nx3 h ILE 246 CO -0.29 0.32 0.32 0.40 0.00 0.00 0.00 178.15 178.89 2nx3 h ILE 247 N 0.65 1.22 -0.50 -0.67 2.04 -0.50 -0.99 117.51 118.77 2nx3 h ILE 247 Ca 0.15 -0.60 0.03 0.00 1.00 0.00 0.00 64.86 65.43 2nx3 h ILE 247 Cb 0.37 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 2nx3 h ILE 247 CO 0.01 0.25 0.28 -0.08 0.00 0.00 0.00 178.15 178.61 2nx3 h GLU 248 N 0.89 0.55 -0.78 2.37 4.57 -1.03 -1.79 114.58 119.36 2nx3 h GLU 248 Ca 0.22 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.36 2nx3 h GLU 248 Cb 0.11 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.53 2nx3 h GLU 248 CO -0.03 0.36 0.45 0.00 -1.18 0.00 0.00 179.01 178.61 2nx3 h ALA 249 N 1.24 0.99 -0.02 2.92 0.00 -0.94 -1.67 119.26 121.79 2nx3 h ALA 249 Ca 0.21 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2nx3 h ALA 249 Cb 0.05 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 2nx3 h ALA 249 CO -0.11 0.48 -0.13 0.82 0.00 0.00 0.00 179.25 180.32 2nx3 h ILE 250 N 1.07 0.68 -0.87 0.00 2.04 -0.57 0.42 117.51 120.28 2nx3 h ILE 250 Ca 0.28 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.12 2nx3 h ILE 250 Cb -0.00 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 2nx3 h ILE 250 CO -0.05 0.00 0.48 -0.07 0.00 0.00 0.00 178.15 178.51 2nx3 h LEU 251 N -0.20 1.09 -0.16 1.44 3.38 -1.15 0.12 115.31 119.82 2nx3 h LEU 251 Ca 0.05 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2nx3 h LEU 251 Cb 0.27 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2nx3 h LEU 251 CO -0.14 0.88 0.06 -0.33 0.09 0.00 0.00 178.44 179.00 2nx3 h GLU 252 N 1.22 0.25 -0.34 1.13 5.08 -0.86 -0.48 114.58 120.58 2nx3 h GLU 252 Ca 0.31 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.51 2nx3 h GLU 252 Cb 0.03 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2nx3 h GLU 252 CO -0.05 0.35 -0.22 0.82 -1.00 0.00 0.00 179.01 178.91 2nx3 h ILE 253 N 0.10 1.27 -0.45 3.13 2.04 -0.72 -3.04 117.51 119.83 2nx3 h ILE 253 Ca 0.05 -1.28 -0.13 0.00 1.00 0.00 0.00 64.86 64.50 2nx3 h ILE 253 Cb 0.20 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 2nx3 h ILE 253 CO -0.00 0.42 -0.21 -0.09 0.00 0.00 0.00 178.15 178.26 2nx3 h ARG 254 N 0.58 0.92 0.10 2.37 2.43 -0.61 -0.84 114.38 119.32 2nx3 h ARG 254 Ca 0.08 -0.38 0.02 0.00 -0.81 0.00 0.00 59.98 58.89 2nx3 h ARG 254 Cb 0.69 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.17 2nx3 h ARG 254 CO 0.05 1.04 -0.20 1.49 -1.51 0.00 0.00 179.97 180.84 2nx3 h GLU 255 N 0.80 -0.36 0.05 0.20 4.57 -0.97 0.15 114.58 119.01 2nx3 h GLU 255 Ca 0.11 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.31 2nx3 h GLU 255 Cb 0.77 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.44 2nx3 h GLU 255 CO 0.06 -0.24 -0.02 -0.24 -1.18 0.00 0.00 179.01 177.39 2nx3 h VAL 256 N -0.38 1.25 -0.58 0.32 3.04 -1.53 -3.32 116.25 115.06 2nx3 h VAL 256 Ca 0.03 -1.03 -0.02 0.00 -1.01 0.00 0.00 66.70 64.68 2nx3 h VAL 256 Cb 0.40 1.92 -0.03 0.00 -2.01 0.00 0.00 31.29 31.58 2nx3 h VAL 256 CO -0.12 0.26 0.29 0.00 -1.01 0.00 0.00 177.57 176.99 2nx3 h ALA 257 N 0.39 1.43 -1.00 3.17 0.00 -1.11 -3.30 119.26 118.85 2nx3 h ALA 257 Ca -0.01 -0.11 0.36 0.00 0.00 0.00 0.00 54.91 55.15 2nx3 h ALA 257 Cb 0.47 -0.23 -0.16 0.00 0.00 0.00 0.00 17.79 17.86 2nx3 h ALA 257 CO 0.01 0.46 0.52 0.66 0.00 0.00 0.00 179.25 180.90 2nx3 h SER 258 N 0.81 0.38 0.28 0.00 4.64 -0.79 0.86 113.55 119.72 2nx3 h SER 258 Ca 0.20 0.22 -0.04 0.00 -0.47 0.00 0.00 61.79 61.71 2nx3 h SER 258 Cb 0.06 0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 2nx3 h SER 258 CO -0.03 -0.28 -0.19 0.07 -0.87 0.00 0.00 176.83 175.53 2nx3 h LYS 259 N 0.17 0.00 -0.00 4.77 2.10 -1.79 -2.38 116.57 119.44 2nx3 h LYS 259 Ca 0.77 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.42 2nx3 h LYS 259 Cb 1.88 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.21 2nx3 h LYS 259 CO -0.69 0.19 -0.11 0.66 -2.00 0.00 0.00 179.45 177.50 2nx3 n TYR 260 N -4.03 0.00 -1.71 0.07 4.01 0.29 -4.86 117.16 110.93 2nx3 n TYR 260 Ca -0.02 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.30 2nx3 n TYR 260 Cb 0.27 -0.23 -0.03 0.00 -0.31 0.00 0.00 39.34 39.04 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 -2.58 1.36 0.49 -0.72 2.02 -0.90 -4.93 117.35 112.09 2nx3 s TYR 261 Ca 0.26 -0.27 -0.22 0.00 -0.37 0.00 0.00 57.07 56.47 2nx3 s TYR 261 Cb 0.20 -4.17 -0.06 0.00 -0.40 0.00 0.00 41.96 37.52 2nx3 s TYR 261 CO 0.49 -5.19 1.23 -1.21 -1.57 0.00 0.00 175.55 169.30 2nx3 s GLU 262 N 4.61 3.52 -0.09 -0.62 8.01 -1.26 -4.97 118.70 127.90 2nx3 s GLU 262 Ca 0.88 1.91 -0.30 0.00 0.01 0.00 0.00 54.97 57.48 2nx3 s GLU 262 Cb -0.40 -2.33 -0.02 0.00 -4.31 0.00 0.00 34.13 27.07 2nx3 s GLU 262 CO 0.39 -0.79 1.07 0.99 0.01 0.00 0.00 175.26 176.93 2nx3 s THR 263 N -1.48 4.62 -2.00 3.63 2.01 -1.26 -5.17 115.64 115.99 2nx3 s THR 263 Ca 0.67 1.90 0.17 0.00 0.31 0.00 0.00 61.69 64.75 2nx3 s THR 263 Cb -0.32 -4.22 0.50 0.00 0.01 0.00 0.00 72.50 68.46 2nx3 s THR 263 CO 0.38 0.00 1.45 2.30 -0.69 0.00 0.00 174.62 178.06