#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 2.73 0.09 5.58 5.36 -1.26 -4.75 117.98 125.74 2nx3 s PHE 4 Ca 0.00 1.53 0.06 0.00 -0.96 0.00 0.00 56.93 57.56 2nx3 s PHE 4 Cb 0.00 -3.35 -0.04 0.00 -0.34 0.00 0.00 43.02 39.29 2nx3 s PHE 4 CO 0.00 -1.62 -0.05 -0.51 -1.46 0.00 0.00 175.22 171.58 2nx3 s LEU 5 N -3.48 3.24 -0.40 6.12 1.02 -1.02 -0.20 118.68 123.95 2nx3 s LEU 5 Ca 0.69 -0.28 0.03 0.00 0.02 0.00 0.00 54.13 54.59 2nx3 s LEU 5 Cb -0.27 -2.00 0.16 0.00 0.02 0.00 0.00 46.19 44.11 2nx3 s LEU 5 CO 0.31 0.18 0.33 -0.69 0.02 0.00 0.00 176.35 176.50 2nx3 s VAL 6 N -1.25 0.15 -0.10 -1.59 1.01 -0.86 -1.55 120.40 116.21 2nx3 s VAL 6 Ca 0.23 -2.17 -0.30 0.00 0.00 0.00 0.00 61.98 59.74 2nx3 s VAL 6 Cb -0.11 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 2nx3 s VAL 6 CO 0.16 -1.05 1.23 -0.63 0.00 0.00 0.00 175.10 174.81 2nx3 s ILE 7 N 0.48 4.25 0.30 2.22 1.09 -1.03 -3.46 121.20 125.06 2nx3 s ILE 7 Ca 0.28 1.55 0.02 0.00 -1.10 0.00 0.00 60.65 61.39 2nx3 s ILE 7 Cb -0.05 -4.00 -0.02 0.00 -1.06 0.00 0.00 42.46 37.33 2nx3 s ILE 7 CO -0.12 -0.06 0.32 0.00 -0.10 0.00 0.00 174.94 174.98 2nx3 s ALA 8 N 2.75 1.28 0.00 9.38 0.00 -0.94 -0.98 121.76 133.26 2nx3 s ALA 8 Ca 0.56 -1.77 0.00 0.00 0.00 0.00 0.00 51.96 50.75 2nx3 s ALA 8 Cb -0.24 1.34 0.00 0.00 0.00 0.00 0.00 23.12 24.23 2nx3 s ALA 8 CO 0.19 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.66 2nx3 n GLY 9 N -0.52 3.02 3.75 0.00 0.00 -1.25 -0.44 105.19 109.74 2nx3 n GLY 9 Ca 0.04 -1.92 -0.38 0.00 0.00 0.00 0.00 46.02 43.77 2nx3 n GLY 9 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2nx3 s PRO 10 N -2.15 3.09 0.09 1.61 0.02 -1.17 -2.54 135.00 133.94 2nx3 s PRO 10 Ca 0.00 2.11 -0.19 0.00 0.02 0.00 0.00 61.00 62.94 2nx3 s PRO 10 Cb 0.00 -2.16 -0.08 0.00 0.02 0.00 0.00 34.50 32.28 2nx3 s PRO 10 CO 0.00 -1.19 1.60 -0.97 -0.33 0.00 0.00 177.00 176.10 2nx3 h ASN 11 N 1.30 0.35 -4.23 2.53 -1.24 -1.86 -3.36 115.58 109.07 2nx3 h ASN 11 Ca -0.51 -0.22 -0.69 0.00 0.71 0.00 0.00 56.30 55.60 2nx3 h ASN 11 Cb 1.30 -0.09 -0.25 0.00 0.73 0.00 0.00 38.32 40.00 2nx3 h ASN 11 CO 0.57 0.47 -0.86 0.00 -1.29 0.00 0.00 177.43 176.32 2nx3 s ALA 12 N -5.35 2.35 -1.26 1.57 0.00 -1.26 -1.84 121.76 115.97 2nx3 s ALA 12 Ca -0.14 -1.23 -0.19 0.00 0.00 0.00 0.00 51.96 50.40 2nx3 s ALA 12 Cb 0.08 -0.57 0.02 0.00 0.00 0.00 0.00 23.12 22.64 2nx3 s ALA 12 CO 0.72 0.54 1.81 -0.89 0.00 0.00 0.00 175.76 177.95 2nx3 n ILE 13 N 1.78 3.30 0.14 0.00 5.41 -0.66 -4.73 119.36 124.61 2nx3 n ILE 13 Ca -0.17 -3.42 0.02 0.00 1.00 0.00 0.00 62.75 60.19 2nx3 n ILE 13 Cb 0.52 -2.30 0.38 0.00 -0.71 0.00 0.00 39.64 37.53 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 8.19 0.17 -1.39 0.38 5.08 -1.96 -3.43 114.58 121.62 2nx3 h GLU 14 Ca 0.38 -0.05 0.20 0.00 -1.00 0.00 0.00 59.36 58.90 2nx3 h GLU 14 Cb 0.88 -0.02 -0.22 0.00 0.50 0.00 0.00 28.75 29.89 2nx3 h GLU 14 CO 1.40 0.37 0.78 -1.54 -1.00 0.00 0.00 179.01 179.03 2nx3 s SER 15 N -6.91 -0.17 0.39 1.42 1.04 -1.26 -5.00 113.70 103.21 2nx3 s SER 15 Ca -0.05 0.11 0.11 0.00 0.48 0.00 0.00 55.95 56.60 2nx3 s SER 15 Cb 0.15 0.15 0.79 0.00 0.10 0.00 0.00 66.02 67.21 2nx3 s SER 15 CO 0.73 -0.21 1.90 -0.08 0.98 0.00 0.00 173.24 176.56 2nx3 h GLU 16 N 2.15 0.16 0.00 4.02 4.81 -1.94 -1.04 114.58 122.75 2nx3 h GLU 16 Ca -0.11 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.05 2nx3 h GLU 16 Cb 1.17 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.53 2nx3 h GLU 16 CO 0.25 0.36 -0.13 1.49 -0.73 0.00 0.00 179.01 180.25 2nx3 h GLU 17 N 0.15 0.00 0.03 1.92 4.81 -1.99 -2.08 114.58 117.43 2nx3 h GLU 17 Ca 0.03 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2nx3 h GLU 17 Cb 0.44 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.82 2nx3 h GLU 17 CO 0.03 0.13 -0.01 1.25 -0.73 0.00 0.00 179.01 179.68 2nx3 h LEU 18 N 0.00 -0.03 -1.36 1.64 5.85 -1.59 -2.83 115.31 116.98 2nx3 h LEU 18 Ca -0.00 -0.68 0.19 0.00 0.84 0.00 0.00 57.88 58.23 2nx3 h LEU 18 Cb 0.28 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.25 2nx3 h LEU 18 CO 0.02 0.73 0.60 -0.07 -0.34 0.00 0.00 178.44 179.37 2nx3 h LEU 19 N -0.86 0.54 0.24 2.25 3.38 -1.17 -1.63 115.31 118.07 2nx3 h LEU 19 Ca -0.00 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2nx3 h LEU 19 Cb 0.72 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2nx3 h LEU 19 CO 0.01 0.22 -0.12 -0.07 0.09 0.00 0.00 178.44 178.57 2nx3 h LEU 20 N 0.54 -0.27 -1.66 1.67 3.38 -1.45 0.47 115.31 117.98 2nx3 h LEU 20 Ca 0.49 -0.25 0.22 0.00 0.09 0.00 0.00 57.88 58.44 2nx3 h LEU 20 Cb 1.04 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.80 2nx3 h LEU 20 CO -0.23 0.21 0.61 0.50 0.09 0.00 0.00 178.44 179.63 2nx3 h LYS 21 N -0.89 0.26 0.01 1.13 3.64 -1.20 0.50 116.57 120.02 2nx3 h LYS 21 Ca -0.03 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.24 2nx3 h LYS 21 Cb 0.51 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 2nx3 h LYS 21 CO 0.05 0.17 -0.47 0.28 -2.27 0.00 0.00 179.45 177.22 2nx3 h VAL 22 N 0.27 1.48 -0.02 2.00 2.07 -1.29 -3.30 116.25 117.46 2nx3 h VAL 22 Ca 0.46 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 65.69 2nx3 h VAL 22 Cb 1.36 2.98 -0.00 0.00 -1.52 0.00 0.00 31.29 34.11 2nx3 h VAL 22 CO -0.13 0.51 0.03 1.23 0.02 0.00 0.00 177.57 179.23 2nx3 h GLY 23 N -0.97 0.00 1.73 2.17 0.00 0.71 0.90 103.07 107.62 2nx3 h GLY 23 Ca -0.13 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.10 2nx3 h GLY 23 CO -0.07 0.00 -0.38 -2.09 0.00 0.00 0.00 176.54 174.00 2nx3 h GLU 24 N 0.00 0.30 0.20 4.80 4.81 -0.12 -1.66 114.58 122.91 2nx3 h GLU 24 Ca 0.01 -0.14 -0.28 0.00 -0.13 0.00 0.00 59.36 58.82 2nx3 h GLU 24 Cb 0.06 -0.01 0.03 0.00 0.63 0.00 0.00 28.75 29.47 2nx3 h GLU 24 CO -0.00 0.65 -1.22 1.49 -0.73 0.00 0.00 179.01 179.20 2nx3 h GLU 25 N 0.26 0.48 -0.44 1.92 4.57 -0.93 -3.05 114.58 117.38 2nx3 h GLU 25 Ca 0.03 -0.78 0.06 0.00 -1.18 0.00 0.00 59.36 57.48 2nx3 h GLU 25 Cb 0.80 0.28 -0.02 0.00 -0.16 0.00 0.00 28.75 29.64 2nx3 h GLU 25 CO 0.06 1.37 0.30 0.82 -1.18 0.00 0.00 179.01 180.38 2nx3 h ILE 26 N -0.00 0.97 0.36 2.32 1.08 -1.22 -1.05 117.51 119.97 2nx3 h ILE 26 Ca -0.21 -0.13 -0.02 0.00 -0.39 0.00 0.00 64.86 64.12 2nx3 h ILE 26 Cb 1.95 0.57 0.00 0.00 -3.07 0.00 0.00 36.82 36.27 2nx3 h ILE 26 CO 0.23 0.07 -0.17 0.50 -0.69 0.00 0.00 178.15 178.09 2nx3 h LYS 27 N 0.37 -0.46 -0.91 2.37 1.63 -1.32 -0.10 116.57 118.14 2nx3 h LYS 27 Ca 0.19 0.03 0.14 0.00 -0.85 0.00 0.00 60.65 60.16 2nx3 h LYS 27 Cb 0.29 0.11 -0.07 0.00 -0.60 0.00 0.00 32.23 31.95 2nx3 h LYS 27 CO -0.05 -0.15 0.58 -0.09 -3.45 0.00 0.00 179.45 176.30 2nx3 h ARG 28 N -0.81 0.73 -0.05 1.90 2.43 -1.32 0.25 114.38 117.50 2nx3 h ARG 28 Ca -0.05 -0.04 -0.15 0.00 -0.81 0.00 0.00 59.98 58.92 2nx3 h ARG 28 Cb 0.53 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 2nx3 h ARG 28 CO 0.08 0.48 -0.65 -0.07 -1.51 0.00 0.00 179.97 178.31 2nx3 h LEU 29 N 0.75 0.26 -1.30 3.80 3.38 -1.11 -1.75 115.31 119.34 2nx3 h LEU 29 Ca 0.46 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 58.21 2nx3 h LEU 29 Cb 0.67 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2nx3 h LEU 29 CO -0.22 0.84 -0.28 0.77 0.09 0.00 0.00 178.44 179.63 2nx3 h SER 30 N 0.16 0.00 0.44 -0.43 4.64 0.98 -1.64 113.55 117.69 2nx3 h SER 30 Ca -0.01 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.00 2nx3 h SER 30 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 2nx3 h SER 30 CO 0.10 0.28 -1.54 -0.33 -0.87 0.00 0.00 176.83 174.47 2nx3 h GLU 31 N 0.00 0.26 -0.39 4.77 4.39 -1.15 -3.27 114.58 119.20 2nx3 h GLU 31 Ca -0.00 -0.44 -0.15 0.00 0.34 0.00 0.00 59.36 59.11 2nx3 h GLU 31 Cb 0.67 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.48 2nx3 h GLU 31 CO 0.04 1.12 -0.35 -0.22 -1.16 0.00 0.00 179.01 178.44 2nx3 h LYS 32 N 0.07 0.90 -2.89 2.33 3.64 -1.15 -3.34 116.57 116.13 2nx3 h LYS 32 Ca -0.25 -0.45 -0.64 0.00 -1.27 0.00 0.00 60.65 58.04 2nx3 h LYS 32 Cb 2.02 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 33.44 2nx3 h LYS 32 CO 0.16 1.10 -0.43 1.19 -2.27 0.00 0.00 179.45 179.21 2nx3 n PHE 33 N -4.06 3.53 0.34 1.91 3.72 -0.63 -4.93 117.46 117.33 2nx3 n PHE 33 Ca -0.02 -4.18 0.06 0.00 -0.05 0.00 0.00 57.45 53.27 2nx3 n PHE 33 Cb 0.52 -0.74 0.26 0.00 -0.94 0.00 0.00 39.48 38.58 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 1.71 0.03 -0.00 -1.08 5.02 -1.23 -1.85 118.16 120.75 2nx3 n LYS 34 Ca 0.23 0.35 0.14 0.00 -2.02 0.00 0.00 58.31 57.01 2nx3 n LYS 34 Cb 0.37 -1.56 0.44 0.00 -0.02 0.00 0.00 35.03 34.26 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 -1.61 1.80 -4.03 1.97 0.00 -1.26 -4.81 120.64 112.69 2nx3 n GLU 35 Ca 0.02 -1.16 -0.35 0.00 0.00 0.00 0.00 57.16 55.67 2nx3 n GLU 35 Cb 0.12 -1.48 -0.13 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 -2.00 3.92 -0.53 3.84 1.01 -0.77 -3.98 120.40 121.88 2nx3 s VAL 36 Ca 0.36 -0.32 -0.25 0.00 0.00 0.00 0.00 61.98 61.77 2nx3 s VAL 36 Cb 0.21 -2.78 0.04 0.00 0.00 0.00 0.00 36.38 33.85 2nx3 s VAL 36 CO 0.33 0.42 0.99 -0.70 0.00 0.00 0.00 175.10 176.13 2nx3 s GLU 37 N 1.09 3.41 0.41 2.72 2.12 0.71 -4.93 118.70 124.24 2nx3 s GLU 37 Ca 0.02 -0.06 -0.15 0.00 0.36 0.00 0.00 54.97 55.14 2nx3 s GLU 37 Cb -0.14 -4.02 -0.08 0.00 0.26 0.00 0.00 34.13 30.15 2nx3 s GLU 37 CO 0.01 -1.46 0.84 -0.06 -0.54 0.00 0.00 175.26 174.05 2nx3 s PHE 38 N 4.09 3.42 -0.17 5.30 0.08 -1.26 -2.02 117.98 127.42 2nx3 s PHE 38 Ca 0.34 1.27 -0.05 0.00 0.12 0.00 0.00 56.93 58.62 2nx3 s PHE 38 Cb -0.11 -2.61 0.08 0.00 -0.57 0.00 0.00 43.02 39.81 2nx3 s PHE 38 CO 0.22 -0.12 0.31 0.08 -0.10 0.00 0.00 175.22 175.61 2nx3 s VAL 39 N -2.30 -0.48 0.02 -0.44 1.01 -1.22 -4.43 120.40 112.55 2nx3 s VAL 39 Ca 0.55 0.16 -0.30 0.00 0.00 0.00 0.00 61.98 62.39 2nx3 s VAL 39 Cb -0.10 -0.57 -0.05 0.00 0.00 0.00 0.00 36.38 35.67 2nx3 s VAL 39 CO 0.25 0.04 1.15 0.12 0.00 0.00 0.00 175.10 176.66 2nx3 s PHE 40 N 2.47 3.44 0.04 5.22 5.36 -0.47 -2.22 117.98 131.82 2nx3 s PHE 40 Ca 0.03 1.37 0.06 0.00 -0.96 0.00 0.00 56.93 57.44 2nx3 s PHE 40 Cb -0.13 -3.35 -0.02 0.00 -0.34 0.00 0.00 43.02 39.17 2nx3 s PHE 40 CO -0.11 -1.00 -0.19 0.21 -1.46 0.00 0.00 175.22 172.68 2nx3 s LYS 41 N 1.30 1.25 -0.30 10.12 2.36 0.41 -0.83 119.74 134.06 2nx3 s LYS 41 Ca 0.57 -0.87 -0.18 0.00 -2.55 0.00 0.00 55.97 52.94 2nx3 s LYS 41 Cb -0.27 -1.33 0.19 0.00 -1.05 0.00 0.00 37.83 35.37 2nx3 s LYS 41 CO 0.27 0.34 1.20 0.45 1.55 0.00 0.00 175.35 179.16 2nx3 s SER 42 N -1.12 -0.20 0.13 1.43 0.15 -1.09 -3.77 113.70 109.24 2nx3 s SER 42 Ca 0.06 0.32 -0.22 0.00 0.70 0.00 0.00 55.95 56.81 2nx3 s SER 42 Cb -0.08 0.94 -0.07 0.00 -1.71 0.00 0.00 66.02 65.10 2nx3 s SER 42 CO 0.01 -0.05 0.68 -0.44 1.20 0.00 0.00 173.24 174.64 2nx3 s SER 43 N 0.95 7.22 0.16 5.45 0.01 -0.77 -4.52 113.70 122.20 2nx3 s SER 43 Ca -0.06 1.46 0.26 0.00 1.31 0.00 0.00 55.95 58.92 2nx3 s SER 43 Cb -0.03 -2.43 0.71 0.00 0.21 0.00 0.00 66.02 64.48 2nx3 s SER 43 CO -0.12 0.22 1.66 2.22 0.41 0.00 0.00 173.24 177.63 2nx3 n PHE 44 N 1.57 0.73 -3.57 2.43 1.16 -1.26 -1.65 117.46 116.86 2nx3 n PHE 44 Ca -0.07 0.21 -0.13 0.00 -1.87 0.00 0.00 57.45 55.59 2nx3 n PHE 44 Cb 0.50 -0.81 -0.06 0.00 -1.61 0.00 0.00 39.48 37.50 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 -4.27 -0.50 -0.71 5.98 2.15 -1.25 -3.62 116.67 114.44 2nx3 s ASP 45 Ca 0.10 0.65 -0.13 0.00 0.43 0.00 0.00 52.55 53.59 2nx3 s ASP 45 Cb 0.13 0.55 0.19 0.00 -0.30 0.00 0.00 42.92 43.48 2nx3 s ASP 45 CO 0.63 -0.39 0.64 -0.54 -0.17 0.00 0.00 175.17 175.34 2nx3 s LYS 46 N -0.83 3.29 0.00 4.34 -0.14 0.81 -4.91 119.74 122.29 2nx3 s LYS 46 Ca -0.04 -2.23 0.22 0.00 -1.36 0.00 0.00 55.97 52.55 2nx3 s LYS 46 Cb -0.01 -4.30 1.29 0.00 -1.68 0.00 0.00 37.83 33.12 2nx3 s LYS 46 CO 0.03 -1.28 1.67 0.00 -0.76 0.00 0.00 175.35 175.01 2nx3 n ALA 47 N 4.31 2.31 -2.79 5.17 0.00 -1.26 -3.93 120.51 124.33 2nx3 n ALA 47 Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2nx3 n ALA 47 Cb 0.44 -1.35 0.05 0.00 0.00 0.00 0.00 19.45 18.59 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 -0.99 1.22 -4.57 0.00 0.23 -1.26 -5.11 115.26 104.77 2nx3 n ASN 48 Ca 0.16 -2.04 -0.29 0.00 -0.53 0.00 0.00 54.58 51.88 2nx3 n ASN 48 Cb 0.07 -0.35 0.21 0.00 -2.08 0.00 0.00 39.78 37.64 2nx3 n ASN 48 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 2nx3 s ARG 49 N -3.10 -0.12 -0.02 -3.83 1.81 -1.25 -4.95 118.95 107.48 2nx3 s ARG 49 Ca 0.26 0.97 -0.07 0.00 -1.72 0.00 0.00 55.73 55.17 2nx3 s ARG 49 Cb 0.33 -1.64 -0.29 0.00 -0.45 0.00 0.00 34.95 32.91 2nx3 s ARG 49 CO -0.06 -3.23 0.76 0.77 -0.68 0.00 0.00 175.30 172.86 2nx3 h SER 50 N -2.27 0.50 -2.85 0.23 0.02 -1.99 -3.46 113.55 103.73 2nx3 h SER 50 Ca -0.55 -0.72 -0.67 0.00 -0.84 0.00 0.00 61.79 59.01 2nx3 h SER 50 Cb 1.31 -0.16 -0.09 0.00 0.14 0.00 0.00 62.40 63.60 2nx3 h SER 50 CO 0.49 1.61 -0.52 -0.55 -1.14 0.00 0.00 176.83 176.72 2nx3 s SER 51 N -7.12 6.08 0.56 3.07 0.15 -1.21 -4.98 113.70 110.25 2nx3 s SER 51 Ca -0.12 0.35 0.35 0.00 0.70 0.00 0.00 55.95 57.23 2nx3 s SER 51 Cb 0.06 -1.89 1.54 0.00 -1.71 0.00 0.00 66.02 64.02 2nx3 s SER 51 CO 0.85 0.37 2.04 -0.29 1.20 0.00 0.00 173.24 177.41 2nx3 h ILE 52 N 3.76 0.00 -0.37 6.45 6.09 -1.94 -2.67 117.51 128.82 2nx3 h ILE 52 Ca -0.53 -0.42 0.00 0.00 -1.37 0.00 0.00 64.86 62.54 2nx3 h ILE 52 Cb 1.21 1.41 0.00 0.00 0.47 0.00 0.00 36.82 39.91 2nx3 h ILE 52 CO 0.59 0.00 0.00 1.41 -3.07 0.00 0.00 178.15 177.08 2nx3 n HIS 53 N -3.07 0.49 -3.60 2.19 8.25 -1.26 -4.95 115.22 113.28 2nx3 n HIS 53 Ca 0.00 -0.25 -0.27 0.00 -0.26 0.00 0.00 57.72 56.94 2nx3 n HIS 53 Cb 0.26 0.00 -0.03 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 -1.14 6.39 0.35 0.41 0.01 -1.01 -5.05 113.70 113.65 2nx3 s SER 54 Ca 0.30 0.46 -0.28 0.00 1.31 0.00 0.00 55.95 57.74 2nx3 s SER 54 Cb 0.16 -2.03 -0.12 0.00 0.21 0.00 0.00 66.02 64.23 2nx3 s SER 54 CO 0.22 -0.09 1.28 0.33 0.41 0.00 0.00 173.24 175.38 2nx3 n PHE 55 N -0.83 2.24 0.03 2.43 7.35 -1.26 -4.94 117.46 122.48 2nx3 n PHE 55 Ca -0.04 0.55 0.00 0.00 -0.76 0.00 0.00 57.45 57.20 2nx3 n PHE 55 Cb 0.54 -2.41 0.00 0.00 0.35 0.00 0.00 39.48 37.96 2nx3 n PHE 55 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2nx3 n ARG 56 N 0.50 0.00 -3.82 -4.13 1.74 -1.26 -4.74 116.66 104.95 2nx3 n ARG 56 Ca 0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 2nx3 n ARG 56 Cb 0.36 -0.43 0.00 0.00 -1.02 0.00 0.00 32.46 31.38 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 2.97 -2.20 0.58 -0.13 0.00 -1.26 -0.14 105.19 105.02 2nx3 n GLY 57 Ca 0.00 -1.23 0.06 0.00 0.00 0.00 0.00 46.02 44.85 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 1.94 0.16 0.00 1.61 8.25 -1.24 -5.02 115.22 120.91 2nx3 n HIS 58 Ca 0.00 -0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 2nx3 n HIS 58 Cb 0.00 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.10 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 0.72 2.98 0.31 -1.41 0.00 -1.26 -4.60 105.19 101.92 2nx3 n GLY 59 Ca 0.09 -1.82 -0.06 0.00 0.00 0.00 0.00 46.02 44.23 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 0.95 -0.33 0.99 6.46 -1.99 -1.23 115.31 120.16 2nx3 h LEU 60 Ca 0.00 -0.22 -0.04 0.00 -0.12 0.00 0.00 57.88 57.49 2nx3 h LEU 60 Cb 0.00 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 39.67 2nx3 h LEU 60 CO 0.00 0.96 0.04 -0.33 -0.62 0.00 0.00 178.44 178.50 2nx3 h GLU 61 N 0.93 0.56 -0.57 1.25 5.08 -1.98 0.16 114.58 120.01 2nx3 h GLU 61 Ca 0.18 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 2nx3 h GLU 61 Cb 0.43 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 2nx3 h GLU 61 CO 0.01 0.65 0.10 -0.92 -1.00 0.00 0.00 179.01 177.86 2nx3 h TYR 62 N 0.38 0.95 0.49 4.33 3.20 -1.79 -2.39 116.97 122.15 2nx3 h TYR 62 Ca 0.10 -0.11 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 2nx3 h TYR 62 Cb 0.37 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.38 2nx3 h TYR 62 CO 0.03 0.81 -0.24 0.78 -1.64 0.00 0.00 178.16 177.89 2nx3 h GLY 63 N 1.01 -0.69 -0.27 1.82 0.00 -0.98 0.73 103.07 104.68 2nx3 h GLY 63 Ca 0.18 0.26 0.30 0.00 0.00 0.00 0.00 47.33 48.07 2nx3 h GLY 63 CO 0.01 -0.25 0.74 -2.08 0.00 0.00 0.00 176.54 174.95 2nx3 h VAL 64 N -1.14 0.46 0.02 4.60 2.07 -0.74 0.53 116.25 122.06 2nx3 h VAL 64 Ca -0.07 -0.08 -0.24 0.00 0.82 0.00 0.00 66.70 67.13 2nx3 h VAL 64 Cb 0.51 0.19 0.02 0.00 -1.52 0.00 0.00 31.29 30.49 2nx3 h VAL 64 CO 0.11 0.04 -0.93 0.50 0.02 0.00 0.00 177.57 177.31 2nx3 h LYS 65 N 0.24 0.59 0.00 1.57 3.64 -1.42 -2.68 116.57 118.52 2nx3 h LYS 65 Ca 0.60 -0.67 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 2nx3 h LYS 65 Cb 1.82 0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 33.83 2nx3 h LYS 65 CO -0.21 1.27 -0.03 0.00 -2.27 0.00 0.00 179.45 178.20 2nx3 h ALA 66 N 0.35 1.11 0.00 5.00 0.00 0.24 -0.97 119.26 124.99 2nx3 h ALA 66 Ca -0.12 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 2nx3 h ALA 66 Cb 1.61 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 2nx3 h ALA 66 CO 0.18 0.04 -0.93 -0.07 0.00 0.00 0.00 179.25 178.47 2nx3 h LEU 67 N 0.00 0.00 -0.00 0.00 3.38 -0.58 -3.32 115.31 114.79 2nx3 h LEU 67 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2nx3 h LEU 67 Cb 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 2nx3 h LEU 67 CO 0.00 0.29 -0.00 0.03 0.09 0.00 0.00 178.44 178.86 2nx3 h ARG 68 N 0.00 0.01 -0.98 1.13 3.08 -0.83 -2.32 114.38 114.46 2nx3 h ARG 68 Ca -0.06 -0.00 0.27 0.00 0.07 0.00 0.00 59.98 60.25 2nx3 h ARG 68 Cb 1.28 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.27 2nx3 h ARG 68 CO 0.03 0.51 0.68 -0.22 -1.07 0.00 0.00 179.97 179.90 2nx3 h LYS 69 N -0.49 0.15 0.05 0.04 1.63 -1.59 0.27 116.57 116.62 2nx3 h LYS 69 Ca 0.00 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.79 2nx3 h LYS 69 Cb 0.51 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.11 2nx3 h LYS 69 CO 0.00 0.10 -0.02 0.28 -3.45 0.00 0.00 179.45 176.35 2nx3 h VAL 70 N 0.15 1.26 0.00 2.00 2.07 -1.62 -0.60 116.25 119.51 2nx3 h VAL 70 Ca 0.49 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 66.42 2nx3 h VAL 70 Cb 1.68 2.22 0.00 0.00 -1.52 0.00 0.00 31.29 33.67 2nx3 h VAL 70 CO -0.09 0.37 0.00 0.50 0.02 0.00 0.00 177.57 178.37 2nx3 h LYS 71 N -0.84 0.00 0.01 1.57 3.64 -0.65 -1.01 116.57 119.29 2nx3 h LYS 71 Ca -0.01 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 59.00 2nx3 h LYS 71 Cb 0.66 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.42 2nx3 h LYS 71 CO 0.01 0.00 -2.09 0.39 -2.27 0.00 0.00 179.45 175.49 2nx3 n GLU 72 N -2.89 0.61 0.00 1.90 1.02 -0.04 -2.25 120.64 118.99 2nx3 n GLU 72 Ca -0.02 0.34 0.11 0.00 -0.02 0.00 0.00 57.16 57.57 2nx3 n GLU 72 Cb 0.11 -1.60 0.48 0.00 -0.02 0.00 0.00 31.44 30.42 2nx3 n GLU 72 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2nx3 n GLU 73 N -4.08 0.01 0.00 3.49 2.13 -0.23 -3.95 120.64 118.01 2nx3 n GLU 73 Ca -0.44 0.11 0.00 0.00 0.66 0.00 0.00 57.16 57.49 2nx3 n GLU 73 Cb 0.86 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 31.07 2nx3 n GLU 73 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2nx3 n PHE 74 N -1.50 0.00 -2.90 4.31 3.72 -0.39 -5.02 117.46 115.68 2nx3 n PHE 74 Ca 0.06 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.25 2nx3 n PHE 74 Cb 0.26 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.81 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 0.08 -0.51 3.73 1.37 0.00 -0.95 -4.95 105.19 103.97 2nx3 n GLY 75 Ca 0.00 0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 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 -6.34 4.23 0.94 0.99 1.43 -1.26 -5.03 118.68 113.65 2nx3 s LEU 76 Ca 0.22 0.39 -0.12 0.00 -1.03 0.00 0.00 54.13 53.59 2nx3 s LEU 76 Cb -0.11 -2.25 0.06 0.00 0.03 0.00 0.00 46.19 43.93 2nx3 s LEU 76 CO 0.27 0.14 0.59 0.29 0.23 0.00 0.00 176.35 177.87 2nx3 n LYS 77 N 3.52 -0.33 -4.23 1.70 5.02 -1.26 -4.28 118.16 118.30 2nx3 n LYS 77 Ca -0.14 -0.05 -0.16 0.00 -2.02 0.00 0.00 58.31 55.94 2nx3 n LYS 77 Cb 0.52 -1.98 -0.11 0.00 -0.02 0.00 0.00 35.03 33.44 2nx3 n LYS 77 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2nx3 s ILE 78 N -2.45 1.23 -0.11 -0.18 -1.09 -1.26 -1.36 121.20 115.98 2nx3 s ILE 78 Ca 0.59 -1.80 -0.21 0.00 -2.23 0.00 0.00 60.65 57.00 2nx3 s ILE 78 Cb -0.22 -1.59 0.05 0.00 -1.58 0.00 0.00 42.46 39.12 2nx3 s ILE 78 CO 0.65 -0.53 0.52 0.28 -1.23 0.00 0.00 174.94 174.63 2nx3 s THR 79 N -2.52 0.02 0.28 2.92 -1.32 -0.01 0.51 115.64 115.52 2nx3 s THR 79 Ca 0.11 -0.13 -0.20 0.00 -1.21 0.00 0.00 61.69 60.26 2nx3 s THR 79 Cb -0.03 -0.79 0.02 0.00 -1.51 0.00 0.00 72.50 70.20 2nx3 s THR 79 CO 0.02 -0.07 0.69 0.28 -2.21 0.00 0.00 174.62 173.33 2nx3 s THR 80 N -0.58 0.00 0.02 5.08 -1.32 -1.21 -2.66 115.64 114.97 2nx3 s THR 80 Ca -0.07 -1.06 0.03 0.00 -1.21 0.00 0.00 61.69 59.38 2nx3 s THR 80 Cb -0.03 -2.05 -0.04 0.00 -1.51 0.00 0.00 72.50 68.87 2nx3 s THR 80 CO 0.04 0.00 -0.03 1.51 -2.21 0.00 0.00 174.62 173.94 2nx3 s ASP 81 N -2.94 4.89 0.02 8.08 -4.77 -1.26 -0.71 116.67 119.98 2nx3 s ASP 81 Ca 0.13 -0.11 -0.00 0.00 -3.30 0.00 0.00 52.55 49.27 2nx3 s ASP 81 Cb -0.05 -1.20 -0.04 0.00 -1.09 0.00 0.00 42.92 40.54 2nx3 s ASP 81 CO 0.07 0.26 0.12 0.27 0.70 0.00 0.00 175.17 176.59 2nx3 s ILE 82 N -1.10 4.91 -0.02 2.11 -4.36 -0.93 -4.80 121.20 117.01 2nx3 s ILE 82 Ca 0.20 -0.41 0.06 0.00 -0.26 0.00 0.00 60.65 60.23 2nx3 s ILE 82 Cb -0.11 -3.29 -0.09 0.00 1.25 0.00 0.00 42.46 40.21 2nx3 s ILE 82 CO 0.11 0.29 0.11 1.41 0.24 0.00 0.00 174.94 177.10 2nx3 n HIS 83 N 0.92 0.00 -4.13 1.37 8.25 -1.26 -4.44 115.22 115.93 2nx3 n HIS 83 Ca -0.11 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.20 2nx3 n HIS 83 Cb 0.52 -0.17 -0.13 0.00 1.12 0.00 0.00 29.99 31.34 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 -2.37 0.52 0.20 -0.41 2.02 -1.26 -5.07 118.70 112.34 2nx3 s GLU 84 Ca -0.02 -0.51 -0.19 0.00 0.02 0.00 0.00 54.97 54.27 2nx3 s GLU 84 Cb 0.03 -0.41 0.18 0.00 0.10 0.00 0.00 34.13 34.03 2nx3 s GLU 84 CO 0.25 0.10 1.58 0.77 0.02 0.00 0.00 175.26 177.98 2nx3 h SER 85 N 5.21 -1.15 -1.09 -0.19 0.02 -1.90 -1.63 113.55 112.82 2nx3 h SER 85 Ca -0.33 0.24 0.31 0.00 -0.84 0.00 0.00 61.79 61.18 2nx3 h SER 85 Cb 1.20 0.60 -0.05 0.00 0.14 0.00 0.00 62.40 64.28 2nx3 h SER 85 CO 0.45 -0.29 0.76 4.11 -1.14 0.00 0.00 176.83 180.72 2nx3 h TRP 86 N -0.11 0.14 0.00 3.45 5.08 -1.97 0.20 115.95 122.75 2nx3 h TRP 86 Ca 0.28 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.25 2nx3 h TRP 86 Cb 0.56 -0.04 0.00 0.00 -3.00 0.00 0.00 29.16 26.68 2nx3 h TRP 86 CO -0.68 0.01 0.00 1.04 -1.28 0.00 0.00 178.44 177.53 2nx3 n GLN 87 N -4.30 0.14 0.33 0.12 6.02 -0.61 -3.78 117.38 115.31 2nx3 n GLN 87 Ca 0.24 0.15 -0.13 0.00 -0.01 0.00 0.00 57.00 57.25 2nx3 n GLN 87 Cb 1.10 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 30.80 2nx3 n GLN 87 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2nx3 h ALA 88 N 2.74 -1.23 -0.02 -1.58 0.00 -0.72 -2.15 119.26 116.30 2nx3 h ALA 88 Ca 0.00 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.75 2nx3 h ALA 88 Cb 0.22 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 2nx3 h ALA 88 CO 0.00 -1.16 -0.54 1.49 0.00 0.00 0.00 179.25 179.04 2nx3 h GLU 89 N -0.84 -0.63 0.00 0.00 4.22 -1.77 -0.11 114.58 115.44 2nx3 h GLU 89 Ca -0.09 0.04 -0.00 0.00 0.08 0.00 0.00 59.36 59.40 2nx3 h GLU 89 Cb 0.64 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 2nx3 h GLU 89 CO 0.14 -0.42 -0.01 -1.00 -2.18 0.00 0.00 179.01 175.54 2nx3 h PRO 90 N -0.66 0.00 0.11 0.92 0.13 -1.75 -2.79 132.00 127.96 2nx3 h PRO 90 Ca 0.02 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.86 2nx3 h PRO 90 Cb 0.72 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.84 2nx3 h PRO 90 CO -0.37 0.01 -1.44 0.28 -0.23 0.00 0.00 178.00 176.25 2nx3 h VAL 91 N 0.00 1.26 0.00 1.56 2.07 -0.97 -3.30 116.25 116.87 2nx3 h VAL 91 Ca -0.00 -2.89 0.00 0.00 0.82 0.00 0.00 66.70 64.63 2nx3 h VAL 91 Cb 0.02 2.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 2nx3 h VAL 91 CO 0.00 0.83 0.00 0.00 0.02 0.00 0.00 177.57 178.42 2nx3 n ALA 92 N -2.61 1.42 -0.08 1.67 0.00 -0.09 -1.67 120.51 119.15 2nx3 n ALA 92 Ca -0.14 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.19 2nx3 n ALA 92 Cb 1.03 -1.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.34 2nx3 n ALA 92 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2nx3 n GLU 93 N -0.05 0.67 -0.01 0.00 -0.58 -1.24 -4.60 120.64 114.83 2nx3 n GLU 93 Ca 0.00 0.12 -0.01 0.00 -0.42 0.00 0.00 57.16 56.84 2nx3 n GLU 93 Cb 0.02 -1.61 -0.02 0.00 -0.57 0.00 0.00 31.44 29.25 2nx3 n GLU 93 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2nx3 n VAL 94 N -2.96 0.19 -2.48 2.62 0.31 -0.86 -4.98 118.33 110.17 2nx3 n VAL 94 Ca -0.31 -0.12 -0.43 0.00 -0.01 0.00 0.00 64.34 63.47 2nx3 n VAL 94 Cb 1.10 -0.77 -0.02 0.00 -0.91 0.00 0.00 33.84 33.24 2nx3 n VAL 94 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2nx3 s ALA 95 N -2.09 3.22 0.24 3.52 0.00 -0.67 -4.33 121.76 121.65 2nx3 s ALA 95 Ca -0.01 -0.16 0.04 0.00 0.00 0.00 0.00 51.96 51.82 2nx3 s ALA 95 Cb 0.01 -3.85 0.25 0.00 0.00 0.00 0.00 23.12 19.53 2nx3 s ALA 95 CO 0.13 -2.07 1.56 -0.44 0.00 0.00 0.00 175.76 174.94 2nx3 h ASP 96 N 9.56 0.28 -3.29 0.00 3.32 -0.27 -3.42 116.42 122.59 2nx3 h ASP 96 Ca -0.25 -0.16 -0.49 0.00 0.02 0.00 0.00 57.03 56.15 2nx3 h ASP 96 Cb 1.08 -0.08 -0.36 0.00 0.22 0.00 0.00 39.33 40.20 2nx3 h ASP 96 CO 1.08 0.81 -0.80 -0.63 -1.72 0.00 0.00 179.24 177.98 2nx3 s ILE 97 N -3.76 0.90 -0.34 0.35 1.01 -0.91 -2.35 121.20 116.10 2nx3 s ILE 97 Ca -0.04 -0.26 -0.20 0.00 0.00 0.00 0.00 60.65 60.15 2nx3 s ILE 97 Cb 0.12 -0.91 -0.00 0.00 0.01 0.00 0.00 42.46 41.68 2nx3 s ILE 97 CO 0.80 0.33 0.60 -0.63 0.00 0.00 0.00 174.94 176.04 2nx3 s ILE 98 N 1.36 4.93 -0.01 2.92 1.01 0.58 -3.36 121.20 128.64 2nx3 s ILE 98 Ca -0.02 0.59 -0.22 0.00 0.00 0.00 0.00 60.65 61.00 2nx3 s ILE 98 Cb -0.14 -4.03 -0.05 0.00 0.01 0.00 0.00 42.46 38.25 2nx3 s ILE 98 CO -0.04 -0.25 0.65 -1.58 0.00 0.00 0.00 174.94 173.72 2nx3 s GLN 99 N 2.61 4.38 -0.30 2.79 0.74 0.11 -1.25 119.66 128.75 2nx3 s GLN 99 Ca 0.23 0.83 -0.09 0.00 0.05 0.00 0.00 55.36 56.38 2nx3 s GLN 99 Cb -0.15 -3.37 -0.01 0.00 1.10 0.00 0.00 33.01 30.59 2nx3 s GLN 99 CO 0.14 0.29 0.13 0.42 -0.55 0.00 0.00 175.29 175.72 2nx3 s ILE 100 N 0.03 4.47 0.62 -2.34 -1.09 -0.02 -2.19 121.20 120.68 2nx3 s ILE 100 Ca 0.34 -0.43 -0.19 0.00 -2.23 0.00 0.00 60.65 58.13 2nx3 s ILE 100 Cb -0.19 -3.27 -0.03 0.00 -1.58 0.00 0.00 42.46 37.40 2nx3 s ILE 100 CO 0.18 0.10 1.19 -0.81 -1.23 0.00 0.00 174.94 174.38 2nx3 n PRO 101 N 4.96 1.13 -0.18 2.79 -0.04 -1.26 -1.11 135.00 141.28 2nx3 n PRO 101 Ca -0.14 0.44 -0.08 0.00 -0.04 0.00 0.00 63.50 63.67 2nx3 n PRO 101 Cb 0.49 -2.42 -0.03 0.00 -0.04 0.00 0.00 33.50 31.50 2nx3 n PRO 101 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2nx3 h ALA 102 N 0.66 -0.30 -0.01 0.55 0.00 -1.88 -0.90 119.26 117.38 2nx3 h ALA 102 Ca -0.50 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2nx3 h ALA 102 Cb 1.34 0.91 -0.00 0.00 0.00 0.00 0.00 17.79 20.04 2nx3 h ALA 102 CO 0.53 -0.81 0.04 0.74 0.00 0.00 0.00 179.25 179.75 2nx3 h PHE 103 N -0.24 0.00 -0.01 0.00 0.04 -1.92 -2.69 116.94 112.12 2nx3 h PHE 103 Ca 0.18 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.95 2nx3 h PHE 103 Cb 0.57 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.72 2nx3 h PHE 103 CO -0.67 0.00 -0.39 1.28 -0.60 0.00 0.00 178.31 177.93 2nx3 n LEU 104 N -3.21 1.93 0.16 1.54 4.77 -0.38 -4.61 117.00 117.19 2nx3 n LEU 104 Ca -0.03 -0.78 0.03 0.00 -0.03 0.00 0.00 56.01 55.21 2nx3 n LEU 104 Cb 0.11 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.38 2nx3 n LEU 104 CO 0.21 0.36 0.76 0.00 -1.33 0.00 0.00 177.39 177.39 2nx3 n ARG 106 N -1.87 1.44 -2.29 0.00 5.12 -1.26 -4.88 116.66 112.92 2nx3 n ARG 106 Ca -0.00 -0.35 -0.35 0.00 -1.93 0.00 0.00 57.85 55.22 2nx3 n ARG 106 Cb 0.51 -1.32 -0.04 0.00 -1.16 0.00 0.00 32.46 30.46 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 -2.40 3.02 0.03 5.56 -1.52 0.21 -4.90 119.66 119.66 2nx3 s GLN 107 Ca 0.10 -0.51 -0.05 0.00 -1.95 0.00 0.00 55.36 52.95 2nx3 s GLN 107 Cb 0.14 -5.02 -0.01 0.00 -0.22 0.00 0.00 33.01 27.89 2nx3 s GLN 107 CO 0.60 -2.75 1.09 1.15 -0.25 0.00 0.00 175.29 175.13 2nx3 h THR 108 N 6.93 0.00 -1.34 -0.19 2.02 -1.89 -1.03 112.91 117.40 2nx3 h THR 108 Ca 0.06 0.00 0.39 0.00 0.77 0.00 0.00 66.41 67.63 2nx3 h THR 108 Cb 1.03 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.37 2nx3 h THR 108 CO 1.30 0.00 0.95 0.44 0.37 0.00 0.00 175.52 178.58 2nx3 h ASP 109 N -0.00 0.07 1.02 4.18 3.32 -1.99 0.51 116.42 123.53 2nx3 h ASP 109 Ca 0.02 0.02 -0.18 0.00 0.02 0.00 0.00 57.03 56.91 2nx3 h ASP 109 Cb 0.07 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 2nx3 h ASP 109 CO -0.15 -0.01 -0.88 0.25 -1.72 0.00 0.00 179.24 176.74 2nx3 h LEU 110 N 0.05 0.00 -0.02 1.55 5.85 -1.59 -2.35 115.31 118.80 2nx3 h LEU 110 Ca 0.66 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 59.31 2nx3 h LEU 110 Cb 2.51 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.54 2nx3 h LEU 110 CO -0.07 0.88 -0.27 -0.07 -0.34 0.00 0.00 178.44 178.56 2nx3 h LEU 111 N 0.00 0.28 -1.00 2.25 3.38 0.47 -2.99 115.31 117.70 2nx3 h LEU 111 Ca -0.01 -0.73 -0.00 0.00 0.09 0.00 0.00 57.88 57.23 2nx3 h LEU 111 Cb 1.63 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 42.25 2nx3 h LEU 111 CO 0.11 0.96 0.57 -0.07 0.09 0.00 0.00 178.44 180.11 2nx3 h LEU 112 N -0.38 1.11 -0.91 1.67 3.38 -1.26 -0.68 115.31 118.23 2nx3 h LEU 112 Ca -0.03 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.89 2nx3 h LEU 112 Cb 0.99 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.41 2nx3 h LEU 112 CO 0.06 0.84 0.60 0.00 0.09 0.00 0.00 178.44 180.03 2nx3 h ALA 113 N 1.35 1.15 0.00 1.53 0.00 -1.46 0.17 119.26 122.00 2nx3 h ALA 113 Ca 0.34 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.08 2nx3 h ALA 113 Cb -0.07 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.34 2nx3 h ALA 113 CO -0.06 0.55 -0.51 0.00 0.00 0.00 0.00 179.25 179.23 2nx3 h ALA 114 N 1.34 0.88 0.04 0.00 0.00 -1.27 -3.21 119.26 117.04 2nx3 h ALA 114 Ca 0.33 -0.46 -0.23 0.00 0.00 0.00 0.00 54.91 54.55 2nx3 h ALA 114 Cb -0.14 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 2nx3 h ALA 114 CO -0.07 0.63 -1.03 0.00 0.00 0.00 0.00 179.25 178.78 2nx3 h ALA 115 N 1.49 0.33 0.00 0.00 0.00 -0.02 -3.24 119.26 117.82 2nx3 h ALA 115 Ca -0.01 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.11 2nx3 h ALA 115 Cb 1.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2nx3 h ALA 115 CO 0.07 0.94 0.00 1.17 0.00 0.00 0.00 179.25 181.43 2nx3 n LYS 116 N -3.61 0.22 0.00 0.00 4.81 0.47 -2.79 118.16 117.27 2nx3 n LYS 116 Ca -0.06 0.30 0.13 0.00 -0.87 0.00 0.00 58.31 57.82 2nx3 n LYS 116 Cb 0.90 -1.82 0.80 0.00 0.02 0.00 0.00 35.03 34.93 2nx3 n LYS 116 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2nx3 n THR 117 N -2.22 0.00 -3.59 3.15 -2.24 -1.22 -4.89 114.28 103.28 2nx3 n THR 117 Ca 0.04 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.60 2nx3 n THR 117 Cb 0.34 -0.54 0.05 0.00 -2.10 0.00 0.00 70.33 68.08 2nx3 n THR 117 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nx3 n GLY 118 N 0.75 -0.65 3.37 3.38 0.00 -1.12 -5.00 105.19 105.92 2nx3 n GLY 118 Ca 0.20 0.30 -0.21 0.00 0.00 0.00 0.00 46.02 46.31 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 -5.61 1.75 0.11 1.61 1.81 -1.26 -5.09 118.95 112.27 2nx3 s ARG 119 Ca 0.21 -2.03 -0.29 0.00 -1.72 0.00 0.00 55.73 51.90 2nx3 s ARG 119 Cb -0.05 -0.08 -0.06 0.00 -0.45 0.00 0.00 34.95 34.30 2nx3 s ARG 119 CO 0.80 -0.54 0.92 0.00 -0.68 0.00 0.00 175.30 175.81 2nx3 s ALA 120 N -3.44 3.28 -0.14 2.13 0.00 -0.99 -4.62 121.76 117.98 2nx3 s ALA 120 Ca 0.34 0.52 0.01 0.00 0.00 0.00 0.00 51.96 52.83 2nx3 s ALA 120 Cb 0.03 -3.21 -0.00 0.00 0.00 0.00 0.00 23.12 19.94 2nx3 s ALA 120 CO 0.20 0.02 -0.17 0.08 0.00 0.00 0.00 175.76 175.89 2nx3 s VAL 121 N -0.17 2.52 -0.37 0.00 1.01 -0.60 0.21 120.40 123.00 2nx3 s VAL 121 Ca 0.44 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.61 2nx3 s VAL 121 Cb -0.23 -2.04 0.11 0.00 0.00 0.00 0.00 36.38 34.22 2nx3 s VAL 121 CO 0.29 0.53 0.11 0.21 0.00 0.00 0.00 175.10 176.24 2nx3 s ASN 122 N 0.67 4.89 -0.34 3.32 2.47 -0.38 -0.65 114.94 124.92 2nx3 s ASN 122 Ca -0.09 -2.19 -0.25 0.00 0.42 0.00 0.00 52.86 50.76 2nx3 s ASN 122 Cb -0.16 -1.69 0.01 0.00 -1.45 0.00 0.00 41.25 37.96 2nx3 s ASN 122 CO 0.02 -0.42 0.85 -0.69 -3.72 0.00 0.00 177.10 173.14 2nx3 s VAL 123 N 0.88 4.70 -0.03 -5.21 1.01 -0.48 -0.84 120.40 120.43 2nx3 s VAL 123 Ca 0.11 1.16 -0.30 0.00 0.00 0.00 0.00 61.98 62.95 2nx3 s VAL 123 Cb -0.20 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 2nx3 s VAL 123 CO -0.06 -0.39 1.31 -0.54 0.00 0.00 0.00 175.10 175.41 2nx3 s LYS 124 N 3.19 4.31 0.13 2.72 -0.14 -0.27 -2.19 119.74 127.49 2nx3 s LYS 124 Ca 0.35 1.82 -0.31 0.00 -1.36 0.00 0.00 55.97 56.47 2nx3 s LYS 124 Cb -0.13 -3.58 -0.09 0.00 -1.68 0.00 0.00 37.83 32.36 2nx3 s LYS 124 CO 0.15 -0.52 1.46 0.21 -0.76 0.00 0.00 175.35 175.89 2nx3 s LYS 125 N 2.37 4.28 0.51 1.68 2.20 -0.61 -4.03 119.74 126.14 2nx3 s LYS 125 Ca 0.60 2.18 -0.21 0.00 -0.36 0.00 0.00 55.97 58.17 2nx3 s LYS 125 Cb -0.28 -3.24 -0.06 0.00 -1.51 0.00 0.00 37.83 32.74 2nx3 s LYS 125 CO 0.24 -0.51 1.21 0.20 -0.36 0.00 0.00 175.35 176.13 2nx3 s GLY 126 N 1.19 2.78 0.00 5.54 0.00 -1.25 -4.53 107.32 111.04 2nx3 s GLY 126 Ca 0.67 1.03 0.03 0.00 0.00 0.00 0.00 44.72 46.44 2nx3 s GLY 126 CO 0.30 1.47 0.88 -1.06 0.00 0.00 0.00 173.10 174.70 2nx3 n GLN 127 N -0.90 0.05 0.00 2.90 3.00 -1.26 -1.34 117.38 119.83 2nx3 n GLN 127 Ca 0.10 0.22 0.03 0.00 -0.01 0.00 0.00 57.00 57.34 2nx3 n GLN 127 Cb 0.48 -1.50 0.02 0.00 0.00 0.00 0.00 30.24 29.24 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 -1.24 0.00 -3.60 1.08 1.16 -1.26 -1.66 117.46 111.93 2nx3 n PHE 128 Ca 0.02 0.00 -0.33 0.00 -1.87 0.00 0.00 57.45 55.27 2nx3 n PHE 128 Cb 0.02 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 37.84 2nx3 n PHE 128 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2nx3 s LEU 129 N -0.94 4.29 0.11 5.98 1.43 -0.45 -5.08 118.68 124.02 2nx3 s LEU 129 Ca 0.07 0.72 -0.22 0.00 -1.03 0.00 0.00 54.13 53.67 2nx3 s LEU 129 Cb 0.06 -3.19 -0.07 0.00 0.03 0.00 0.00 46.19 43.01 2nx3 s LEU 129 CO 0.12 0.10 0.66 0.00 0.23 0.00 0.00 176.35 177.47 2nx3 s ALA 130 N -1.55 3.52 0.32 4.21 0.00 -1.26 -4.88 121.76 122.12 2nx3 s ALA 130 Ca 0.38 0.19 0.08 0.00 0.00 0.00 0.00 51.96 52.60 2nx3 s ALA 130 Cb -0.13 -2.78 0.94 0.00 0.00 0.00 0.00 23.12 21.15 2nx3 s ALA 130 CO 0.21 0.35 1.59 -1.35 0.00 0.00 0.00 175.76 176.56 2nx3 h PRO 131 N 4.45 0.06 0.00 0.00 0.11 -1.97 1.39 132.00 136.04 2nx3 h PRO 131 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2nx3 h PRO 131 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2nx3 h PRO 131 CO 0.65 0.04 0.00 -2.67 -0.21 0.00 0.00 178.00 175.80 2nx3 n TRP 132 N -5.35 0.69 0.28 0.65 2.14 -1.26 -2.87 117.44 111.71 2nx3 n TRP 132 Ca 0.28 0.24 0.15 0.00 2.07 0.00 0.00 57.50 60.24 2nx3 n TRP 132 Cb 0.91 -0.89 0.49 0.00 -0.81 0.00 0.00 31.31 31.01 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 0.77 -0.67 3.32 0.15 -3.07 116.42 116.92 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 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 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 -0.98 0.35 1.35 -1.54 -3.08 112.91 109.01 2nx3 h THR 134 Ca 0.00 -0.32 0.16 0.00 -0.55 0.00 0.00 66.41 65.70 2nx3 h THR 134 Cb 0.68 1.17 -0.09 0.00 -1.73 0.00 0.00 68.15 68.18 2nx3 h THR 134 CO 0.00 0.00 0.61 0.50 -0.25 0.00 0.00 175.52 176.38 2nx3 h LYS 135 N 0.00 0.79 0.00 4.72 3.64 -1.76 0.18 116.57 124.13 2nx3 h LYS 135 Ca 0.00 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.23 2nx3 h LYS 135 Cb 0.39 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 2nx3 h LYS 135 CO 0.00 0.52 -0.50 -0.91 -2.27 0.00 0.00 179.45 176.29 2nx3 h ASN 136 N 0.81 0.00 -0.36 4.20 2.35 -1.80 -2.28 115.58 118.50 2nx3 h ASN 136 Ca 0.52 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 56.14 2nx3 h ASN 136 Cb 0.74 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.10 2nx3 h ASN 136 CO -0.29 0.50 -0.23 0.58 -1.65 0.00 0.00 177.43 176.34 2nx3 h VAL 137 N 0.00 1.27 -0.09 2.81 2.07 -0.83 -1.96 116.25 119.52 2nx3 h VAL 137 Ca -0.01 -1.37 -0.16 0.00 0.82 0.00 0.00 66.70 65.98 2nx3 h VAL 137 Cb 1.19 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 2nx3 h VAL 137 CO 0.07 0.46 -0.63 0.58 0.02 0.00 0.00 177.57 178.07 2nx3 h VAL 138 N 0.75 1.38 -0.67 2.57 2.07 -1.17 -3.10 116.25 118.08 2nx3 h VAL 138 Ca 0.10 -2.01 -0.04 0.00 0.82 0.00 0.00 66.70 65.57 2nx3 h VAL 138 Cb 0.78 2.01 -0.03 0.00 -1.52 0.00 0.00 31.29 32.52 2nx3 h VAL 138 CO 0.06 0.60 0.28 -0.08 0.02 0.00 0.00 177.57 178.45 2nx3 h GLU 139 N 0.23 0.99 -0.52 1.57 4.81 -1.10 -2.06 114.58 118.50 2nx3 h GLU 139 Ca -0.01 -0.17 -0.00 0.00 -0.13 0.00 0.00 59.36 59.04 2nx3 h GLU 139 Cb 1.16 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.35 2nx3 h GLU 139 CO 0.10 0.82 0.31 0.87 -0.73 0.00 0.00 179.01 180.38 2nx3 h LYS 140 N 0.94 0.71 -0.38 1.92 1.57 -1.30 -0.90 116.57 119.14 2nx3 h LYS 140 Ca 0.22 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 2nx3 h LYS 140 Cb 0.19 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 2nx3 h LYS 140 CO -0.02 0.52 0.19 -0.07 -0.57 0.00 0.00 179.45 179.51 2nx3 h LEU 141 N 0.69 0.49 -0.49 2.94 3.38 -1.44 0.97 115.31 121.86 2nx3 h LEU 141 Ca 0.18 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.06 2nx3 h LEU 141 Cb 0.00 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 2nx3 h LEU 141 CO -0.03 0.46 0.30 0.11 0.09 0.00 0.00 178.44 179.37 2nx3 h LYS 142 N 0.48 0.58 0.00 1.13 1.57 -1.13 0.10 116.57 119.30 2nx3 h LYS 142 Ca 0.13 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 2nx3 h LYS 142 Cb 0.09 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 2nx3 h LYS 142 CO -0.02 0.38 -0.10 0.35 -0.57 0.00 0.00 179.45 179.49 2nx3 h PHE 143 N 0.59 0.00 0.06 -1.35 3.57 -0.83 -2.82 116.94 116.17 2nx3 h PHE 143 Ca 0.19 0.00 -0.25 0.00 3.53 0.00 0.00 57.97 61.44 2nx3 h PHE 143 Cb 0.00 0.00 0.02 0.00 2.79 0.00 0.00 35.95 38.77 2nx3 h PHE 143 CO -0.06 0.10 -1.02 0.78 -2.23 0.00 0.00 178.31 175.88 2nx3 h GLY 144 N 0.62 0.65 0.00 2.40 0.00 0.15 -3.48 103.07 103.41 2nx3 h GLY 144 Ca -0.00 -1.26 0.00 0.00 0.00 0.00 0.00 47.33 46.07 2nx3 h GLY 144 CO 0.01 1.11 0.00 0.61 0.00 0.00 0.00 176.54 178.27 2nx3 n GLY 145 N 1.26 0.97 3.76 4.60 0.00 -0.10 -4.27 105.19 111.40 2nx3 n GLY 145 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.05 3.50 -0.14 4.61 0.00 -1.08 -4.92 121.76 123.68 2nx3 s ALA 146 Ca 0.00 1.17 0.09 0.00 0.00 0.00 0.00 51.96 53.22 2nx3 s ALA 146 Cb 0.00 -3.46 -0.13 0.00 0.00 0.00 0.00 23.12 19.54 2nx3 s ALA 146 CO 0.00 -0.54 0.25 1.63 0.00 0.00 0.00 175.76 177.10 2nx3 n LYS 147 N 1.35 1.45 -3.65 0.00 5.02 -1.26 -4.22 118.16 116.85 2nx3 n LYS 147 Ca 0.01 -0.06 -0.38 0.00 -2.02 0.00 0.00 58.31 55.86 2nx3 n LYS 147 Cb 0.42 -1.12 -0.08 0.00 -0.02 0.00 0.00 35.03 34.23 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 -2.39 2.70 -0.05 1.97 2.12 -1.26 -5.07 118.70 116.72 2nx3 s GLU 148 Ca -0.01 -2.44 -0.02 0.00 0.36 0.00 0.00 54.97 52.85 2nx3 s GLU 148 Cb 0.06 -3.85 -0.04 0.00 0.26 0.00 0.00 34.13 30.57 2nx3 s GLU 148 CO 0.37 -1.19 0.06 0.42 -0.54 0.00 0.00 175.26 174.38 2nx3 s ILE 149 N 0.11 4.68 0.07 -3.70 1.01 -1.26 -1.56 121.20 120.55 2nx3 s ILE 149 Ca 0.16 -0.26 0.04 0.00 0.00 0.00 0.00 60.65 60.59 2nx3 s ILE 149 Cb -0.19 -3.06 -0.03 0.00 0.01 0.00 0.00 42.46 39.19 2nx3 s ILE 149 CO -0.04 0.49 -0.11 -0.31 0.00 0.00 0.00 174.94 174.96 2nx3 s TYR 150 N -1.05 1.01 -0.08 3.97 2.02 0.17 -3.15 117.35 120.24 2nx3 s TYR 150 Ca 0.18 -0.52 0.01 0.00 -0.37 0.00 0.00 57.07 56.37 2nx3 s TYR 150 Cb -0.12 -0.57 0.02 0.00 -0.40 0.00 0.00 41.96 40.89 2nx3 s TYR 150 CO 0.08 -0.00 -0.09 -0.51 -1.57 0.00 0.00 175.55 173.46 2nx3 s LEU 151 N -1.88 1.41 -0.15 -1.29 1.43 -0.09 -1.38 118.68 116.73 2nx3 s LEU 151 Ca -0.02 -0.28 -0.02 0.00 -1.03 0.00 0.00 54.13 52.77 2nx3 s LEU 151 Cb -0.08 -0.79 -0.02 0.00 0.03 0.00 0.00 46.19 45.33 2nx3 s LEU 151 CO 0.01 -0.04 -0.08 -0.89 0.23 0.00 0.00 176.35 175.58 2nx3 s THR 152 N 1.13 3.48 -0.30 5.49 2.01 -0.93 -0.99 115.64 125.53 2nx3 s THR 152 Ca -0.06 -0.50 -0.26 0.00 0.31 0.00 0.00 61.69 61.17 2nx3 s THR 152 Cb -0.14 -2.50 0.01 0.00 0.01 0.00 0.00 72.50 69.87 2nx3 s THR 152 CO -0.02 0.50 0.93 -0.70 -0.69 0.00 0.00 174.62 174.65 2nx3 s GLU 153 N 0.46 4.06 -0.04 4.92 2.56 -0.03 -1.58 118.70 129.05 2nx3 s GLU 153 Ca -0.06 0.91 0.06 0.00 0.00 0.00 0.00 54.97 55.87 2nx3 s GLU 153 Cb -0.15 -3.71 0.09 0.00 2.00 0.00 0.00 34.13 32.36 2nx3 s GLU 153 CO 0.04 -0.74 0.99 2.89 -0.56 0.00 0.00 175.26 177.88 2nx3 n ARG 154 N 6.45 1.95 0.00 4.30 1.85 -1.26 -0.45 116.66 129.50 2nx3 n ARG 154 Ca 0.08 -1.70 0.00 0.00 -1.00 0.00 0.00 57.85 55.23 2nx3 n ARG 154 Cb 0.47 -1.07 0.00 0.00 -1.05 0.00 0.00 32.46 30.81 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 -0.71 2.08 3.18 2.89 0.00 -1.26 -3.73 105.19 107.63 2nx3 n GLY 155 Ca 0.05 -1.94 -0.16 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.68 1.05 -0.03 2.61 2.01 -0.04 -4.28 115.64 114.27 2nx3 s THR 156 Ca 0.00 -1.48 -0.30 0.00 0.31 0.00 0.00 61.69 60.22 2nx3 s THR 156 Cb 0.00 -1.22 -0.08 0.00 0.01 0.00 0.00 72.50 71.22 2nx3 s THR 156 CO 0.00 -0.39 1.97 -0.89 -0.69 0.00 0.00 174.62 174.62 2nx3 s THR 157 N -1.85 3.10 -0.54 -0.82 2.01 -0.66 -0.79 115.64 116.09 2nx3 s THR 157 Ca 0.02 0.12 0.04 0.00 0.31 0.00 0.00 61.69 62.18 2nx3 s THR 157 Cb -0.07 -3.09 0.15 0.00 0.01 0.00 0.00 72.50 69.51 2nx3 s THR 157 CO 0.02 -0.02 0.34 0.12 -0.69 0.00 0.00 174.62 174.38 2nx3 s PHE 158 N 5.22 2.68 0.00 4.92 5.36 -0.01 -4.85 117.98 131.30 2nx3 s PHE 158 Ca 0.89 -2.89 0.00 0.00 -0.96 0.00 0.00 56.93 53.96 2nx3 s PHE 158 Cb -0.39 -2.26 0.00 0.00 -0.34 0.00 0.00 43.02 40.03 2nx3 s PHE 158 CO 0.39 -0.70 0.00 0.41 -1.46 0.00 0.00 175.22 173.86 2nx3 n GLY 159 N 2.84 -0.22 3.79 13.12 0.00 -1.26 -4.37 105.19 119.08 2nx3 n GLY 159 Ca 0.14 -1.07 -0.35 0.00 0.00 0.00 0.00 46.02 44.74 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 3.37 -1.52 1.61 2.02 -1.26 -4.54 117.35 117.03 2nx3 s TYR 160 Ca 0.00 0.33 -0.11 0.00 -0.37 0.00 0.00 57.07 56.92 2nx3 s TYR 160 Cb 0.00 -1.84 0.08 0.00 -0.40 0.00 0.00 41.96 39.80 2nx3 s TYR 160 CO 0.00 0.60 0.83 0.09 -1.57 0.00 0.00 175.55 175.50 2nx3 n ASN 161 N 1.84 -3.36 -3.59 2.29 4.13 -1.26 -4.96 115.26 110.35 2nx3 n ASN 161 Ca -0.18 -0.86 -0.15 0.00 1.68 0.00 0.00 54.58 55.07 2nx3 n ASN 161 Cb 0.54 -3.58 -0.07 0.00 -1.54 0.00 0.00 39.78 35.13 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 -3.61 -0.71 0.02 6.41 2.47 -1.26 -4.21 114.94 114.05 2nx3 s ASN 162 Ca 0.49 1.17 0.06 0.00 0.42 0.00 0.00 52.86 55.01 2nx3 s ASN 162 Cb -0.25 1.12 -0.02 0.00 -1.45 0.00 0.00 41.25 40.65 2nx3 s ASN 162 CO 0.85 -0.38 -0.20 -0.76 -3.72 0.00 0.00 177.10 172.90 2nx3 s LEU 163 N -0.19 2.11 0.10 3.21 1.43 -1.26 -0.82 118.68 123.25 2nx3 s LEU 163 Ca -0.04 -0.44 0.09 0.00 -1.03 0.00 0.00 54.13 52.72 2nx3 s LEU 163 Cb -0.03 -0.95 -0.04 0.00 0.03 0.00 0.00 46.19 45.20 2nx3 s LEU 163 CO 0.04 0.19 -0.23 0.54 0.23 0.00 0.00 176.35 177.12 2nx3 s VAL 164 N -0.64 2.51 -0.44 -1.59 0.11 0.03 -4.80 120.40 115.58 2nx3 s VAL 164 Ca 0.07 -1.52 -0.13 0.00 -2.93 0.00 0.00 61.98 57.48 2nx3 s VAL 164 Cb -0.08 -2.10 0.07 0.00 -1.53 0.00 0.00 36.38 32.74 2nx3 s VAL 164 CO 0.01 0.18 0.32 -0.69 -3.33 0.00 0.00 175.10 171.59 2nx3 s VAL 165 N -1.02 4.78 -0.95 2.04 1.01 -1.26 -0.86 120.40 124.15 2nx3 s VAL 165 Ca 0.15 -1.14 -0.19 0.00 0.00 0.00 0.00 61.98 60.79 2nx3 s VAL 165 Cb -0.10 -3.85 0.12 0.00 0.00 0.00 0.00 36.38 32.55 2nx3 s VAL 165 CO 0.06 -0.50 1.18 -0.62 0.00 0.00 0.00 175.10 175.23 2nx3 s ASP 166 N 2.25 6.61 0.08 3.32 -1.08 -1.26 -4.88 116.67 121.71 2nx3 s ASP 166 Ca 0.03 -1.96 0.04 0.00 -0.52 0.00 0.00 52.55 50.15 2nx3 s ASP 166 Cb -0.23 -2.43 0.22 0.00 -1.46 0.00 0.00 42.92 39.03 2nx3 s ASP 166 CO 0.05 -1.13 1.03 0.49 0.52 0.00 0.00 175.17 176.13 2nx3 n PHE 167 N 6.91 0.14 0.36 -5.34 3.72 -1.26 -1.15 117.46 120.84 2nx3 n PHE 167 Ca 0.25 0.07 0.11 0.00 -0.05 0.00 0.00 57.45 57.84 2nx3 n PHE 167 Cb 0.49 -0.50 0.47 0.00 -0.94 0.00 0.00 39.48 39.00 2nx3 n PHE 167 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2nx3 n ARG 168 N -1.57 0.16 0.00 -1.08 1.74 -1.26 -2.69 116.66 111.96 2nx3 n ARG 168 Ca -0.00 0.44 -0.08 0.00 -0.77 0.00 0.00 57.85 57.44 2nx3 n ARG 168 Cb 0.13 -1.83 0.08 0.00 -1.02 0.00 0.00 32.46 29.82 2nx3 n ARG 168 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2nx3 h SER 169 N 0.00 0.59 -0.35 0.55 4.64 -1.55 -3.19 113.55 114.23 2nx3 h SER 169 Ca 0.00 -0.29 0.07 0.00 -0.47 0.00 0.00 61.79 61.10 2nx3 h SER 169 Cb 0.28 -0.17 -0.06 0.00 -0.31 0.00 0.00 62.40 62.14 2nx3 h SER 169 CO 0.00 0.98 -0.05 -0.07 -0.87 0.00 0.00 176.83 176.82 2nx3 h LEU 170 N 0.43 -0.25 -0.68 5.97 4.07 -1.74 -0.55 115.31 122.56 2nx3 h LEU 170 Ca 0.02 0.10 -0.08 0.00 0.08 0.00 0.00 57.88 58.00 2nx3 h LEU 170 Cb 1.01 0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.92 2nx3 h LEU 170 CO 0.09 -0.08 -0.36 1.55 -1.08 0.00 0.00 178.44 178.56 2nx3 h PRO 171 N 0.04 0.00 0.09 1.13 0.13 -1.76 -3.00 132.00 128.63 2nx3 h PRO 171 Ca 0.17 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2nx3 h PRO 171 Cb 0.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.38 2nx3 h PRO 171 CO -0.33 0.36 -0.04 0.82 -0.23 0.00 0.00 178.00 178.58 2nx3 h ILE 172 N 0.00 1.17 0.00 -3.56 2.04 -1.38 -3.25 117.51 112.53 2nx3 h ILE 172 Ca -0.00 -1.19 -0.02 0.00 1.00 0.00 0.00 64.86 64.64 2nx3 h ILE 172 Cb 1.01 1.91 -0.00 0.00 -0.74 0.00 0.00 36.82 38.99 2nx3 h ILE 172 CO 0.05 0.28 -0.10 0.24 0.00 0.00 0.00 178.15 178.62 2nx3 h MET 173 N -0.69 0.00 0.00 2.37 2.86 -1.20 -2.82 114.93 115.45 2nx3 h MET 173 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2nx3 h MET 173 Cb 0.55 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.21 2nx3 h MET 173 CO 0.02 0.10 0.00 1.63 1.06 0.00 0.00 176.91 179.72 2nx3 n LYS 174 N -3.37 0.07 0.25 1.72 5.02 -1.13 -2.25 118.16 118.47 2nx3 n LYS 174 Ca -0.01 0.46 0.14 0.00 -2.02 0.00 0.00 58.31 56.87 2nx3 n LYS 174 Cb 0.29 -1.69 0.49 0.00 -0.02 0.00 0.00 35.03 34.10 2nx3 n LYS 174 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 2nx3 h GLN 175 N 0.00 0.00 0.00 1.97 4.20 -1.64 -3.34 115.11 116.29 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 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 2nx3 h GLN 175 CO 0.00 0.08 -0.21 -2.67 -0.67 0.00 0.00 178.83 175.36 2nx3 n TRP 176 N -3.17 0.00 0.00 2.96 2.14 -0.95 -5.11 117.44 113.30 2nx3 n TRP 176 Ca 0.01 -0.17 0.00 0.00 2.07 0.00 0.00 57.50 59.42 2nx3 n TRP 176 Cb 0.41 -0.04 0.00 0.00 -0.81 0.00 0.00 31.31 30.86 2nx3 n TRP 176 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2nx3 n ALA 177 N -0.22 0.00 -1.80 -1.67 0.00 -1.15 -4.93 120.51 110.74 2nx3 n ALA 177 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.11 2nx3 n ALA 177 Cb 0.58 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.97 2nx3 n ALA 177 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2nx3 s LYS 178 N -2.00 4.28 -0.09 0.00 1.02 -1.19 -4.11 119.74 117.65 2nx3 s LYS 178 Ca 0.00 1.28 0.04 0.00 0.02 0.00 0.00 55.97 57.31 2nx3 s LYS 178 Cb 0.00 -2.43 -0.01 0.00 -0.52 0.00 0.00 37.83 34.88 2nx3 s LYS 178 CO 0.00 0.00 -0.22 0.08 -0.92 0.00 0.00 175.35 174.29 2nx3 s VAL 179 N -1.89 2.23 0.09 3.17 1.01 -1.26 -0.91 120.40 122.83 2nx3 s VAL 179 Ca 0.58 -0.97 0.09 0.00 0.00 0.00 0.00 61.98 61.68 2nx3 s VAL 179 Cb -0.15 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 2nx3 s VAL 179 CO 0.20 0.56 -0.21 -0.63 0.00 0.00 0.00 175.10 175.01 2nx3 s ILE 180 N 0.20 2.59 -0.26 2.22 1.09 -0.16 0.51 121.20 127.38 2nx3 s ILE 180 Ca -0.13 -1.45 -0.04 0.00 -1.10 0.00 0.00 60.65 57.93 2nx3 s ILE 180 Cb -0.17 -2.13 0.02 0.00 -1.06 0.00 0.00 42.46 39.12 2nx3 s ILE 180 CO 0.07 0.21 -0.01 -0.47 -0.10 0.00 0.00 174.94 174.64 2nx3 s TYR 181 N -1.01 3.09 -0.51 3.97 5.04 -0.23 -0.85 117.35 126.84 2nx3 s TYR 181 Ca 0.15 -1.28 -0.28 0.00 -2.44 0.00 0.00 57.07 53.22 2nx3 s TYR 181 Cb -0.10 -2.13 0.01 0.00 0.35 0.00 0.00 41.96 40.08 2nx3 s TYR 181 CO 0.07 -0.65 1.41 0.34 -1.34 0.00 0.00 175.55 175.37 2nx3 s ASP 182 N 1.40 6.20 0.43 4.32 -1.08 0.40 -0.83 116.67 127.52 2nx3 s ASP 182 Ca 0.02 0.46 0.23 0.00 -0.52 0.00 0.00 52.55 52.74 2nx3 s ASP 182 Cb -0.17 -2.54 0.41 0.00 -1.46 0.00 0.00 42.92 39.16 2nx3 s ASP 182 CO -0.02 -1.61 1.63 0.00 0.52 0.00 0.00 175.17 175.69 2nx3 h ALA 183 N 10.93 0.97 0.02 3.66 0.00 -0.28 -3.25 119.26 131.30 2nx3 h ALA 183 Ca -0.27 -0.05 -0.36 0.00 0.00 0.00 0.00 54.91 54.23 2nx3 h ALA 183 Cb 1.10 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 2nx3 h ALA 183 CO 1.15 0.07 -2.23 0.25 0.00 0.00 0.00 179.25 178.48 2nx3 n THR 184 N -3.12 1.51 1.12 0.00 -2.24 -1.26 -4.40 114.28 105.90 2nx3 n THR 184 Ca 0.03 -0.75 0.13 0.00 -2.27 0.00 0.00 64.05 61.20 2nx3 n THR 184 Cb 0.53 -0.98 0.46 0.00 -2.10 0.00 0.00 70.33 68.25 2nx3 n THR 184 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2nx3 n HIS 185 N -3.03 0.00 0.35 4.78 8.25 -1.26 -3.71 115.22 120.60 2nx3 n HIS 185 Ca -0.33 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.25 2nx3 n HIS 185 Cb 1.08 -0.30 0.15 0.00 1.12 0.00 0.00 29.99 32.05 2nx3 n HIS 185 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 2nx3 h SER 186 N 0.22 0.00 -0.29 0.41 0.02 -1.64 -3.34 113.55 108.93 2nx3 h SER 186 Ca 0.00 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 2nx3 h SER 186 Cb 0.46 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.00 2nx3 h SER 186 CO 0.00 0.03 0.00 1.33 -1.14 0.00 0.00 176.83 177.05 2nx3 n VAL 187 N -2.55 1.75 -4.06 2.27 0.24 -1.24 -4.75 118.33 109.99 2nx3 n VAL 187 Ca 0.03 -1.51 -0.27 0.00 -2.04 0.00 0.00 64.34 60.55 2nx3 n VAL 187 Cb 0.49 0.06 -0.05 0.00 -1.47 0.00 0.00 33.84 32.87 2nx3 n VAL 187 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2nx3 s GLN 188 N -2.06 2.96 -0.41 7.34 -2.07 -1.25 -0.32 119.66 123.85 2nx3 s GLN 188 Ca 0.34 -0.81 -0.12 0.00 -1.82 0.00 0.00 55.36 52.95 2nx3 s GLN 188 Cb 0.25 -2.70 0.04 0.00 -1.09 0.00 0.00 33.01 29.52 2nx3 s GLN 188 CO 0.12 0.50 0.27 -0.51 -1.32 0.00 0.00 175.29 174.34 2nx3 s LEU 189 N -3.01 5.03 -0.29 2.60 1.02 -1.24 -4.39 118.68 118.39 2nx3 s LEU 189 Ca 0.31 -1.14 -0.41 0.00 0.02 0.00 0.00 54.13 52.91 2nx3 s LEU 189 Cb -0.10 -2.07 -0.16 0.00 0.02 0.00 0.00 46.19 43.87 2nx3 s LEU 189 CO 0.24 -0.47 1.69 -2.65 0.02 0.00 0.00 176.35 175.17 2nx3 n PRO 190 N 5.05 0.94 -2.44 1.29 -0.02 -1.26 -0.49 135.00 138.07 2nx3 n PRO 190 Ca -0.11 0.35 -0.18 0.00 -2.02 0.00 0.00 63.50 61.53 2nx3 n PRO 190 Cb 0.45 -1.99 -0.01 0.00 -0.02 0.00 0.00 33.50 31.93 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 4.04 -0.50 0.20 -1.23 0.00 -1.26 -4.20 105.19 102.24 2nx3 n GLY 191 Ca 0.27 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.34 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 -0.05 0.00 -4.33 -0.02 0.00 -0.64 -3.08 103.07 94.96 2nx3 h GLY 192 Ca -0.42 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 46.21 2nx3 h GLY 192 CO 0.50 0.00 0.79 1.04 0.00 0.00 0.00 176.54 178.87 2nx3 n LEU 193 N -3.96 7.40 0.00 3.11 4.77 0.90 -4.74 117.00 124.48 2nx3 n LEU 193 Ca -0.02 -4.53 0.00 0.00 -0.03 0.00 0.00 56.01 51.44 2nx3 n LEU 193 Cb 0.38 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.51 2nx3 n LEU 193 CO 0.37 1.63 0.00 0.61 -1.33 0.00 0.00 177.39 178.67 2nx3 n GLY 194 N -0.77 0.80 0.11 -0.72 0.00 -1.17 -1.99 105.19 101.46 2nx3 n GLY 194 Ca 0.58 0.50 0.12 0.00 0.00 0.00 0.00 46.02 47.22 2nx3 n GLY 194 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2nx3 h ASP 195 N 0.00 0.00 -1.25 1.61 3.04 -1.94 -3.46 116.42 114.41 2nx3 h ASP 195 Ca 0.00 -0.08 -0.63 0.00 -3.24 0.00 0.00 57.03 53.08 2nx3 h ASP 195 Cb 0.00 0.00 -0.12 0.00 -1.04 0.00 0.00 39.33 38.17 2nx3 h ASP 195 CO 0.00 0.04 -0.55 -0.54 -2.04 0.00 0.00 179.24 176.15 2nx3 s LYS 196 N -3.24 2.08 0.26 4.15 1.02 -0.84 -3.33 119.74 119.82 2nx3 s LYS 196 Ca 0.04 -2.14 0.01 0.00 0.02 0.00 0.00 55.97 53.90 2nx3 s LYS 196 Cb 0.10 -1.69 -0.04 0.00 -0.52 0.00 0.00 37.83 35.69 2nx3 s LYS 196 CO 0.73 -0.17 0.43 -1.12 -0.92 0.00 0.00 175.35 174.30 2nx3 s SER 197 N -3.81 6.34 0.00 2.83 0.01 -1.26 -0.07 113.70 117.73 2nx3 s SER 197 Ca 0.28 0.33 0.00 0.00 1.31 0.00 0.00 55.95 57.87 2nx3 s SER 197 Cb 0.06 -1.98 0.00 0.00 0.21 0.00 0.00 66.02 64.31 2nx3 s SER 197 CO 0.15 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.28 2nx3 n GLY 198 N -1.21 1.53 0.00 3.44 0.00 0.14 -4.34 105.19 104.74 2nx3 n GLY 198 Ca -0.06 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.21 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 3.67 3.02 -0.02 0.00 -1.26 -3.73 105.19 111.86 2nx3 n GLY 199 Ca 0.00 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.74 2.75 0.43 1.61 -1.94 0.56 -4.91 119.30 117.06 2nx3 s MET 200 Ca 0.00 -3.09 0.21 0.00 -1.71 0.00 0.00 55.69 51.10 2nx3 s MET 200 Cb 0.00 -3.68 1.17 0.00 2.01 0.00 0.00 34.83 34.33 2nx3 s MET 200 CO 0.00 -1.24 1.82 -0.09 -0.01 0.00 0.00 175.02 175.51 2nx3 h ARG 201 N 6.06 0.32 -0.07 2.03 9.65 -1.82 -1.79 114.38 128.77 2nx3 h ARG 201 Ca 0.10 -0.02 0.02 0.00 -1.10 0.00 0.00 59.98 58.98 2nx3 h ARG 201 Cb 0.83 -0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 29.33 2nx3 h ARG 201 CO 0.77 0.21 0.17 1.05 2.80 0.00 0.00 179.97 184.96 2nx3 h GLU 202 N 0.33 0.00 -0.27 0.20 4.11 -1.96 -1.75 114.58 115.25 2nx3 h GLU 202 Ca 0.52 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.95 2nx3 h GLU 202 Cb 1.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.69 2nx3 h GLU 202 CO -0.19 0.00 0.00 1.19 0.07 0.00 0.00 179.01 180.08 2nx3 n PHE 203 N -3.31 0.33 0.34 2.06 3.72 -0.67 -4.52 117.46 115.41 2nx3 n PHE 203 Ca -0.01 -0.17 -0.16 0.00 -0.05 0.00 0.00 57.45 57.07 2nx3 n PHE 203 Cb 0.25 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.71 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 4.36 0.23 -0.16 4.37 2.04 -1.46 -2.72 117.51 124.16 2nx3 h ILE 204 Ca 0.00 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 65.56 2nx3 h ILE 204 Cb 0.95 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 2nx3 h ILE 204 CO 0.00 0.03 -0.02 0.15 0.00 0.00 0.00 178.15 178.31 2nx3 h PHE 205 N -1.08 0.33 -0.52 1.37 3.57 -1.80 -2.18 116.94 116.62 2nx3 h PHE 205 Ca -0.09 -0.06 0.10 0.00 3.53 0.00 0.00 57.97 61.45 2nx3 h PHE 205 Cb 0.71 -0.08 -0.09 0.00 2.79 0.00 0.00 35.95 39.27 2nx3 h PHE 205 CO -0.00 0.54 -0.03 -1.35 -2.23 0.00 0.00 178.31 175.23 2nx3 h PRO 206 N 0.03 0.08 0.00 6.41 0.11 -1.79 0.15 132.00 136.98 2nx3 h PRO 206 Ca 0.04 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 2nx3 h PRO 206 Cb 0.42 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.51 2nx3 h PRO 206 CO 0.01 0.05 -0.03 -0.07 -0.21 0.00 0.00 178.00 177.75 2nx3 h LEU 207 N 0.08 0.00 -0.34 2.35 4.07 -1.46 -2.71 115.31 117.30 2nx3 h LEU 207 Ca 0.26 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 58.09 2nx3 h LEU 207 Cb 0.41 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.14 2nx3 h LEU 207 CO -0.47 0.03 -0.31 0.40 -1.08 0.00 0.00 178.44 177.02 2nx3 h ILE 208 N 0.00 1.29 -0.77 1.22 2.04 -0.06 -1.78 117.51 119.44 2nx3 h ILE 208 Ca -0.00 -1.47 0.02 0.00 1.00 0.00 0.00 64.86 64.41 2nx3 h ILE 208 Cb 0.54 1.46 -0.04 0.00 -0.74 0.00 0.00 36.82 38.03 2nx3 h ILE 208 CO 0.00 0.48 0.50 0.03 0.00 0.00 0.00 178.15 179.17 2nx3 h ARG 209 N 0.60 0.96 -0.35 2.37 3.08 -1.02 -1.66 114.38 118.36 2nx3 h ARG 209 Ca 0.06 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2nx3 h ARG 209 Cb 0.89 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.70 2nx3 h ARG 209 CO 0.08 0.63 0.22 0.00 -1.07 0.00 0.00 179.97 179.83 2nx3 h ALA 210 N 1.31 0.44 -0.21 0.04 0.00 -1.38 0.24 119.26 119.70 2nx3 h ALA 210 Ca 0.30 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.23 2nx3 h ALA 210 Cb -0.03 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.56 2nx3 h ALA 210 CO -0.09 -0.08 -0.18 0.00 0.00 0.00 0.00 179.25 178.89 2nx3 h ALA 211 N 1.11 -0.04 -0.01 0.00 0.00 -0.45 0.14 119.26 120.01 2nx3 h ALA 211 Ca 0.13 0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.92 2nx3 h ALA 211 Cb -0.03 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2nx3 h ALA 211 CO -0.03 -0.60 -0.83 -0.39 0.00 0.00 0.00 179.25 177.40 2nx3 h VAL 212 N -0.18 1.48 -0.52 0.00 -1.51 -1.15 0.18 116.25 114.55 2nx3 h VAL 212 Ca 0.13 -2.53 -0.04 0.00 -1.23 0.00 0.00 66.70 63.03 2nx3 h VAL 212 Cb 0.37 2.40 -0.02 0.00 -2.13 0.00 0.00 31.29 31.91 2nx3 h VAL 212 CO -0.32 0.74 0.16 0.00 -1.23 0.00 0.00 177.57 176.91 2nx3 h ALA 213 N 1.02 1.31 -0.00 5.19 0.00 -0.12 -2.50 119.26 124.15 2nx3 h ALA 213 Ca -0.04 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 2nx3 h ALA 213 Cb 1.44 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 19.03 2nx3 h ALA 213 CO 0.13 0.50 -0.50 0.28 0.00 0.00 0.00 179.25 179.66 2nx3 h VAL 214 N 0.75 1.46 0.00 0.00 2.07 -0.60 -3.47 116.25 116.46 2nx3 h VAL 214 Ca 0.17 -2.04 0.00 0.00 0.82 0.00 0.00 66.70 65.65 2nx3 h VAL 214 Cb 0.23 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 2nx3 h VAL 214 CO -0.01 0.58 0.00 0.61 0.02 0.00 0.00 177.57 178.78 2nx3 n GLY 215 N 1.06 2.77 3.50 2.17 0.00 0.60 -4.84 105.19 110.45 2nx3 n GLY 215 Ca -0.10 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.35 1.21 -3.61 0.00 8.00 0.18 -5.00 116.55 116.99 2nx3 n ASP 217 Ca -0.01 -0.98 -0.01 0.00 0.71 0.00 0.00 54.79 54.50 2nx3 n ASP 217 Cb 0.63 0.30 -0.01 0.00 -0.02 0.00 0.00 41.12 42.01 2nx3 n ASP 217 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2nx3 s GLY 218 N -2.59 -0.33 -0.21 0.44 0.00 -1.11 -2.44 107.32 101.07 2nx3 s GLY 218 Ca 0.20 1.34 0.02 0.00 0.00 0.00 0.00 44.72 46.27 2nx3 s GLY 218 CO 0.58 0.39 -0.16 0.14 0.00 0.00 0.00 173.10 174.06 2nx3 s VAL 219 N -2.28 2.02 -0.29 1.40 1.01 -0.60 -1.07 120.40 120.61 2nx3 s VAL 219 Ca 0.12 -1.15 -0.17 0.00 0.00 0.00 0.00 61.98 60.78 2nx3 s VAL 219 Cb 0.02 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 2nx3 s VAL 219 CO -0.04 0.31 0.48 0.12 0.00 0.00 0.00 175.10 175.97 2nx3 s PHE 220 N 1.25 3.24 -0.13 5.22 5.36 -0.01 -2.45 117.98 130.46 2nx3 s PHE 220 Ca -0.00 0.46 -0.05 0.00 -0.96 0.00 0.00 56.93 56.38 2nx3 s PHE 220 Cb -0.16 -2.73 0.06 0.00 -0.34 0.00 0.00 43.02 39.86 2nx3 s PHE 220 CO -0.10 -0.33 0.27 0.00 -1.46 0.00 0.00 175.22 173.60 2nx3 s MET 221 N 2.26 0.17 0.10 10.12 0.23 -0.15 0.46 119.30 132.50 2nx3 s MET 221 Ca 0.19 0.72 -0.29 0.00 -1.03 0.00 0.00 55.69 55.27 2nx3 s MET 221 Cb -0.16 -0.04 -0.06 0.00 -1.53 0.00 0.00 34.83 33.05 2nx3 s MET 221 CO 0.10 -0.25 0.94 -1.21 -2.03 0.00 0.00 175.02 172.57 2nx3 s GLU 222 N 2.15 4.67 0.26 3.16 2.02 -1.26 -3.89 118.70 125.81 2nx3 s GLU 222 Ca -0.02 1.41 0.06 0.00 0.02 0.00 0.00 54.97 56.44 2nx3 s GLU 222 Cb -0.12 -3.38 -0.05 0.00 0.10 0.00 0.00 34.13 30.68 2nx3 s GLU 222 CO -0.09 0.21 -0.05 -0.08 0.02 0.00 0.00 175.26 175.28 2nx3 s THR 223 N 0.02 1.44 -0.28 3.63 -1.32 -1.05 -1.61 115.64 116.47 2nx3 s THR 223 Ca 0.46 -2.10 -0.21 0.00 -1.21 0.00 0.00 61.69 58.64 2nx3 s THR 223 Cb -0.23 -2.38 0.11 0.00 -1.51 0.00 0.00 72.50 68.50 2nx3 s THR 223 CO 0.29 -0.34 0.91 -2.28 -2.21 0.00 0.00 174.62 171.00 2nx3 s HIS 224 N -3.15 -0.65 0.32 9.09 5.04 -0.43 -3.05 115.29 122.45 2nx3 s HIS 224 Ca 0.28 1.44 0.09 0.00 -1.54 0.00 0.00 55.06 55.33 2nx3 s HIS 224 Cb 0.04 0.39 0.89 0.00 0.04 0.00 0.00 32.58 33.94 2nx3 s HIS 224 CO 0.10 -0.32 1.71 -1.35 -2.34 0.00 0.00 174.74 172.54 2nx3 h PRO 225 N 5.37 0.47 -2.54 2.88 0.11 -1.94 -2.96 132.00 133.39 2nx3 h PRO 225 Ca -0.29 -0.03 -0.59 0.00 0.11 0.00 0.00 66.00 65.21 2nx3 h PRO 225 Cb 1.19 -0.11 -0.39 0.00 0.11 0.00 0.00 31.00 31.80 2nx3 h PRO 225 CO 0.14 0.31 -0.88 -1.21 -0.21 0.00 0.00 178.00 176.15 2nx3 s GLU 226 N -5.78 0.76 0.22 1.05 2.02 -1.26 -4.54 118.70 111.17 2nx3 s GLU 226 Ca -0.11 -1.69 -0.08 0.00 0.02 0.00 0.00 54.97 53.11 2nx3 s GLU 226 Cb 0.27 -1.46 0.29 0.00 0.10 0.00 0.00 34.13 33.34 2nx3 s GLU 226 CO 0.79 -1.27 1.81 -1.00 0.02 0.00 0.00 175.26 175.61 2nx3 h PRO 227 N 6.47 0.69 0.00 0.39 0.13 -1.83 -1.87 132.00 135.98 2nx3 h PRO 227 Ca 0.13 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 2nx3 h PRO 227 Cb 0.94 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.92 2nx3 h PRO 227 CO 0.33 0.45 0.00 1.05 -0.23 0.00 0.00 178.00 179.60 2nx3 h GLU 228 N 0.71 0.00 -0.01 0.86 9.09 -1.90 -0.76 114.58 122.57 2nx3 h GLU 228 Ca 0.33 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.74 2nx3 h GLU 228 Cb 0.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.35 2nx3 h GLU 228 CO -0.21 0.00 -0.68 1.63 0.05 0.00 0.00 179.01 179.80 2nx3 n LYS 229 N -2.51 0.82 -1.21 1.06 5.02 -0.73 -4.98 118.16 115.62 2nx3 n LYS 229 Ca -0.00 -0.55 -0.35 0.00 -2.02 0.00 0.00 58.31 55.38 2nx3 n LYS 229 Cb 0.13 -1.46 0.08 0.00 -0.02 0.00 0.00 35.03 33.76 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 -0.67 -1.26 1.04 7.82 0.00 -0.29 -4.90 120.51 122.24 2nx3 n ALA 230 Ca 0.07 -0.28 0.12 0.00 0.00 0.00 0.00 53.44 53.35 2nx3 n ALA 230 Cb 0.39 -1.93 0.29 0.00 0.00 0.00 0.00 19.45 18.20 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 -0.92 0.55 -3.69 0.00 4.77 -1.26 -4.64 117.00 111.80 2nx3 n LEU 231 Ca 0.10 -0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 55.95 2nx3 n LEU 231 Cb 0.50 -0.24 -0.09 0.00 -2.33 0.00 0.00 43.42 41.26 2nx3 n LEU 231 CO 0.50 0.13 0.19 -0.55 -1.33 0.00 0.00 177.39 176.33 2nx3 s SER 232 N -2.93 -0.57 -1.46 -1.43 0.15 -1.26 -4.47 113.70 101.73 2nx3 s SER 232 Ca 0.13 1.06 -0.09 0.00 0.70 0.00 0.00 55.95 57.76 2nx3 s SER 232 Cb 0.18 1.05 0.04 0.00 -1.71 0.00 0.00 66.02 65.57 2nx3 s SER 232 CO 0.67 -0.19 0.83 0.47 1.20 0.00 0.00 173.24 176.22 2nx3 n ASP 233 N 3.13 -5.54 -0.27 5.45 8.00 -1.26 -4.81 116.55 121.24 2nx3 n ASP 233 Ca -0.15 -0.48 0.05 0.00 0.71 0.00 0.00 54.79 54.91 2nx3 n ASP 233 Cb 0.56 -4.44 0.19 0.00 -0.02 0.00 0.00 41.12 37.41 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 1.15 0.00 2.24 0.00 -1.82 -0.54 119.26 121.28 2nx3 h ALA 234 Ca -0.54 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2nx3 h ALA 234 Cb 1.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2nx3 h ALA 234 CO 0.59 -0.09 0.00 -2.30 0.00 0.00 0.00 179.25 177.44 2nx3 n PRO 235 N -4.89 0.76 0.00 0.00 -0.02 -1.26 -3.16 135.00 126.44 2nx3 n PRO 235 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 2nx3 n PRO 235 Cb 0.38 -1.33 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 2nx3 n PRO 235 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2nx3 n THR 236 N 0.22 0.00 -2.27 3.45 -2.24 -0.24 -4.26 114.28 108.95 2nx3 n THR 236 Ca 0.00 -0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 2nx3 n THR 236 Cb 0.23 0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.50 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 -0.20 3.51 0.02 6.98 0.00 -1.04 -4.79 121.76 126.23 2nx3 s ALA 237 Ca 0.00 1.02 -0.18 0.00 0.00 0.00 0.00 51.96 52.80 2nx3 s ALA 237 Cb 0.00 -3.49 -0.06 0.00 0.00 0.00 0.00 23.12 19.57 2nx3 s ALA 237 CO 0.00 -0.52 0.51 -0.51 0.00 0.00 0.00 175.76 175.24 2nx3 s LEU 238 N 0.72 4.47 0.18 0.00 1.43 -0.63 -4.69 118.68 120.15 2nx3 s LEU 238 Ca 0.60 1.10 -0.33 0.00 -1.03 0.00 0.00 54.13 54.47 2nx3 s LEU 238 Cb -0.34 -2.78 -0.14 0.00 0.03 0.00 0.00 46.19 42.96 2nx3 s LEU 238 CO 0.32 0.23 1.54 -2.65 0.23 0.00 0.00 176.35 176.02 2nx3 n PRO 239 N 2.13 2.14 -0.03 1.29 -0.02 -1.26 -1.32 135.00 137.93 2nx3 n PRO 239 Ca -0.11 0.77 0.22 0.00 -2.02 0.00 0.00 63.50 62.36 2nx3 n PRO 239 Cb 0.51 -2.51 0.70 0.00 -0.02 0.00 0.00 33.50 32.18 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 5.45 0.00 -1.57 2.45 5.85 -1.76 -0.68 115.31 125.05 2nx3 h LEU 240 Ca -0.45 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.24 2nx3 h LEU 240 Cb 1.26 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.28 2nx3 h LEU 240 CO 0.85 0.00 -0.13 0.77 -0.34 0.00 0.00 178.44 179.59 2nx3 h SER 241 N 0.00 0.00 0.49 1.25 4.64 -1.89 -2.65 113.55 115.39 2nx3 h SER 241 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 2nx3 h SER 241 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2nx3 h SER 241 CO -0.00 0.13 -0.70 0.00 -0.87 0.00 0.00 176.83 175.39 2nx3 n GLN 242 N -3.40 0.11 -0.21 4.77 6.02 -0.27 -4.20 117.38 120.20 2nx3 n GLN 242 Ca -0.01 0.01 0.18 0.00 -0.01 0.00 0.00 57.00 57.18 2nx3 n GLN 242 Cb 0.32 -1.55 0.52 0.00 1.02 0.00 0.00 30.24 30.55 2nx3 n GLN 242 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2nx3 h LEU 243 N 0.00 0.37 0.18 1.08 7.12 -1.40 -3.05 115.31 119.61 2nx3 h LEU 243 Ca 0.00 0.03 -0.01 0.00 0.13 0.00 0.00 57.88 58.03 2nx3 h LEU 243 Cb 0.59 -0.04 0.00 0.00 -0.53 0.00 0.00 40.66 40.68 2nx3 h LEU 243 CO 0.00 0.17 -0.09 -0.08 -0.13 0.00 0.00 178.44 178.31 2nx3 h GLU 244 N 0.38 -0.23 -0.71 1.25 4.81 -1.76 -3.18 114.58 115.14 2nx3 h GLU 244 Ca 0.43 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.78 2nx3 h GLU 244 Cb 1.08 0.05 -0.12 0.00 0.63 0.00 0.00 28.75 30.39 2nx3 h GLU 244 CO -0.14 -0.15 -0.43 0.78 -0.73 0.00 0.00 179.01 178.33 2nx3 h GLY 245 N -0.29 -0.35 -0.20 1.92 0.00 -1.82 0.15 103.07 102.49 2nx3 h GLY 245 Ca -0.02 0.56 0.31 0.00 0.00 0.00 0.00 47.33 48.18 2nx3 h GLY 245 CO 0.04 -0.15 0.77 -2.22 0.00 0.00 0.00 176.54 174.97 2nx3 h ILE 246 N -0.15 0.46 -0.02 2.60 2.04 -1.66 0.34 117.51 121.13 2nx3 h ILE 246 Ca 0.22 -0.03 -0.26 0.00 1.00 0.00 0.00 64.86 65.79 2nx3 h ILE 246 Cb 0.55 0.37 0.02 0.00 -0.74 0.00 0.00 36.82 37.02 2nx3 h ILE 246 CO -0.78 0.02 -1.00 0.40 0.00 0.00 0.00 178.15 176.80 2nx3 h ILE 247 N 0.09 1.29 -0.83 -0.67 2.04 -0.69 -1.16 117.51 117.58 2nx3 h ILE 247 Ca 0.54 -2.22 -0.03 0.00 1.00 0.00 0.00 64.86 64.15 2nx3 h ILE 247 Cb 1.98 2.32 -0.04 0.00 -0.74 0.00 0.00 36.82 40.34 2nx3 h ILE 247 CO -0.07 0.69 0.41 -0.08 0.00 0.00 0.00 178.15 179.10 2nx3 h GLU 248 N 0.40 1.19 -0.30 2.37 4.57 0.10 0.10 114.58 123.02 2nx3 h GLU 248 Ca -0.11 -0.17 -0.05 0.00 -1.18 0.00 0.00 59.36 57.84 2nx3 h GLU 248 Cb 1.64 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 30.00 2nx3 h GLU 248 CO 0.19 0.91 -0.03 0.00 -1.18 0.00 0.00 179.01 178.91 2nx3 h ALA 249 N 1.22 0.41 -0.79 2.92 0.00 -1.08 -1.44 119.26 120.49 2nx3 h ALA 249 Ca 0.29 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.99 2nx3 h ALA 249 Cb 0.10 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 2nx3 h ALA 249 CO -0.04 0.18 0.49 0.82 0.00 0.00 0.00 179.25 180.71 2nx3 h ILE 250 N 0.33 1.06 0.01 0.00 2.04 -0.76 -0.74 117.51 119.45 2nx3 h ILE 250 Ca 0.08 -0.32 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 2nx3 h ILE 250 Cb 0.48 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 2nx3 h ILE 250 CO 0.02 0.17 -0.00 -0.07 0.00 0.00 0.00 178.15 178.27 2nx3 h LEU 251 N 0.92 -0.01 0.42 1.44 3.38 -0.75 -1.57 115.31 119.14 2nx3 h LEU 251 Ca 0.34 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 2nx3 h LEU 251 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2nx3 h LEU 251 CO -0.15 0.07 -0.20 -0.33 0.09 0.00 0.00 178.44 177.91 2nx3 h GLU 252 N -0.08 -0.55 -0.51 1.13 5.08 -0.88 -0.53 114.58 118.23 2nx3 h GLU 252 Ca -0.00 0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.46 2nx3 h GLU 252 Cb 0.08 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 2nx3 h GLU 252 CO 0.00 -0.36 0.21 0.82 -1.00 0.00 0.00 179.01 178.69 2nx3 h ILE 253 N -0.58 0.86 -0.35 3.13 5.03 -1.17 0.39 117.51 124.83 2nx3 h ILE 253 Ca -0.06 -0.14 0.00 0.00 -0.12 0.00 0.00 64.86 64.54 2nx3 h ILE 253 Cb 0.44 0.42 -0.02 0.00 -3.03 0.00 0.00 36.82 34.64 2nx3 h ILE 253 CO 0.10 0.07 0.22 -0.09 -0.68 0.00 0.00 178.15 177.77 2nx3 h ARG 254 N 0.41 0.46 0.80 2.37 2.43 -1.14 0.40 114.38 120.10 2nx3 h ARG 254 Ca 0.24 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.35 2nx3 h ARG 254 Cb 0.23 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 2nx3 h ARG 254 CO -0.22 0.32 -0.50 1.49 -1.51 0.00 0.00 179.97 179.54 2nx3 h GLU 255 N 0.47 -1.17 0.27 0.20 4.57 0.75 -0.48 114.58 119.19 2nx3 h GLU 255 Ca 0.13 0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.37 2nx3 h GLU 255 Cb -0.03 0.27 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 2nx3 h GLU 255 CO -0.03 -0.78 -0.13 0.28 -1.18 0.00 0.00 179.01 177.18 2nx3 h VAL 256 N -1.22 0.75 -0.31 0.32 2.07 -1.19 -3.32 116.25 113.35 2nx3 h VAL 256 Ca -0.11 -0.70 -0.03 0.00 0.82 0.00 0.00 66.70 66.68 2nx3 h VAL 256 Cb 0.98 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 2nx3 h VAL 256 CO 0.10 0.14 0.04 0.00 0.02 0.00 0.00 177.57 177.87 2nx3 h ALA 257 N -0.18 1.50 -1.04 1.67 0.00 -1.01 -3.10 119.26 117.10 2nx3 h ALA 257 Ca -0.04 -0.15 0.27 0.00 0.00 0.00 0.00 54.91 54.99 2nx3 h ALA 257 Cb 0.50 -0.14 -0.10 0.00 0.00 0.00 0.00 17.79 18.05 2nx3 h ALA 257 CO 0.06 0.37 0.66 0.66 0.00 0.00 0.00 179.25 180.99 2nx3 h SER 258 N 0.44 0.50 -0.10 0.00 4.64 -1.18 0.43 113.55 118.28 2nx3 h SER 258 Ca 0.10 0.10 0.03 0.00 -0.47 0.00 0.00 61.79 61.55 2nx3 h SER 258 Cb 0.23 0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2nx3 h SER 258 CO 0.00 0.08 0.21 0.50 -0.87 0.00 0.00 176.83 176.76 2nx3 h LYS 259 N 0.43 0.00 -0.02 4.77 3.64 -1.73 -2.15 116.57 121.51 2nx3 h LYS 259 Ca 0.62 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.00 2nx3 h LYS 259 Cb 1.47 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.29 2nx3 h LYS 259 CO -0.35 0.00 -0.01 0.66 -2.27 0.00 0.00 179.45 177.48 2nx3 n TYR 260 N -3.34 0.00 -1.81 1.91 4.01 0.15 -4.99 117.16 113.09 2nx3 n TYR 260 Ca -0.00 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.34 2nx3 n TYR 260 Cb 0.30 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.35 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 -1.68 2.47 0.00 -0.72 2.02 -0.81 -4.99 117.35 113.65 2nx3 s TYR 261 Ca 0.23 1.27 0.00 0.00 -0.37 0.00 0.00 57.07 58.20 2nx3 s TYR 261 Cb 0.17 -3.91 0.00 0.00 -0.40 0.00 0.00 41.96 37.81 2nx3 s TYR 261 CO 0.26 -2.91 0.00 0.39 -1.57 0.00 0.00 175.55 171.72 2nx3 n GLU 262 N -0.17 1.12 0.00 -0.62 4.71 -1.26 -5.09 120.64 119.33 2nx3 n GLU 262 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.20 2nx3 n GLU 262 Cb 0.42 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.85 2nx3 n GLU 262 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 2nx3 n THR 263 N -0.50 0.00 0.00 2.62 -1.04 -1.26 -5.19 114.28 108.92 2nx3 n THR 263 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2nx3 n THR 263 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2nx3 n THR 263 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43