#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nx4 s GLU 3 N 0.00 2.68 -0.10 -1.46 2.02 -1.26 -5.09 118.70 115.50 1nx4 s GLU 3 Ca 0.00 -0.01 0.03 0.00 0.02 0.00 0.00 54.97 55.01 1nx4 s GLU 3 Cb 0.00 -2.20 -0.01 0.00 0.10 0.00 0.00 34.13 32.02 1nx4 s GLU 3 CO 0.00 -0.92 -0.20 0.42 0.02 0.00 0.00 175.26 174.58 1nx4 s ILE 4 N -3.13 2.41 -0.05 -1.63 1.01 -1.26 -4.89 121.20 113.66 1nx4 s ILE 4 Ca 0.56 -0.91 -0.04 0.00 0.00 0.00 0.00 60.65 60.26 1nx4 s ILE 4 Cb -0.11 -1.94 -0.04 0.00 0.01 0.00 0.00 42.46 40.38 1nx4 s ILE 4 CO 0.46 0.55 0.17 0.54 0.00 0.00 0.00 174.94 176.66 1nx4 s VAL 5 N 0.16 5.46 0.25 2.92 0.11 -1.26 -5.08 120.40 122.96 1nx4 s VAL 5 Ca -0.11 -0.04 -0.30 0.00 -2.93 0.00 0.00 61.98 58.60 1nx4 s VAL 5 Cb -0.16 -3.49 -0.09 0.00 -1.53 0.00 0.00 36.38 31.10 1nx4 s VAL 5 CO 0.06 0.42 0.99 -1.59 -3.33 0.00 0.00 175.10 171.65 1nx4 s LYS 6 N -1.64 4.79 0.16 1.54 0.00 -1.26 -5.04 119.74 118.29 1nx4 s LYS 6 Ca 0.23 1.58 -0.19 0.00 0.00 0.00 0.00 55.97 57.59 1nx4 s LYS 6 Cb -0.12 -3.24 0.04 0.00 0.00 0.00 0.00 37.83 34.51 1nx4 s LYS 6 CO 0.14 0.43 0.51 -0.59 0.00 0.00 0.00 175.35 175.84 1nx4 s PHE 7 N -1.18 -0.28 -0.03 1.78 -0.12 -1.26 -4.65 117.98 112.23 1nx4 s PHE 7 Ca 0.42 -0.01 0.07 0.00 -0.05 0.00 0.00 56.93 57.36 1nx4 s PHE 7 Cb -0.28 0.41 -0.01 0.00 -0.63 0.00 0.00 43.02 42.51 1nx4 s PHE 7 CO 0.34 -0.83 -0.23 -0.80 -0.05 0.00 0.00 175.22 173.65 1nx4 s ASN 8 N -2.81 2.76 0.71 1.98 0.01 -0.73 -4.93 114.94 111.94 1nx4 s ASN 8 Ca 0.04 -0.44 -0.15 0.00 -0.71 0.00 0.00 52.86 51.61 1nx4 s ASN 8 Cb -0.00 -0.47 0.03 0.00 0.41 0.00 0.00 41.25 41.22 1nx4 s ASN 8 CO -0.09 0.26 1.20 -2.16 -1.51 0.00 0.00 177.10 174.80 1nx4 s PRO 9 N -0.39 2.27 -0.01 -0.60 0.04 -1.26 0.68 135.00 135.73 1nx4 s PRO 9 Ca 0.05 1.72 0.16 0.00 0.04 0.00 0.00 61.00 62.96 1nx4 s PRO 9 Cb -0.10 -1.85 0.47 0.00 0.04 0.00 0.00 34.50 33.05 1nx4 s PRO 9 CO 0.01 -1.72 1.39 0.28 0.04 0.00 0.00 177.00 176.99 1nx4 n VAL 10 N -2.61 0.78 -0.05 -0.36 0.31 -0.40 -4.68 118.33 111.32 1nx4 n VAL 10 Ca 0.13 -0.72 -0.02 0.00 -0.01 0.00 0.00 64.34 63.72 1nx4 n VAL 10 Cb 0.50 0.31 -0.12 0.00 -0.91 0.00 0.00 33.84 33.62 1nx4 n VAL 10 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1nx4 n ALA 12 N 1.01 1.96 0.28 3.52 0.00 -1.26 -5.01 120.51 121.01 1nx4 n ALA 12 Ca 0.18 -0.79 0.17 0.00 0.00 0.00 0.00 53.44 53.00 1nx4 n ALA 12 Cb 0.47 -0.24 0.72 0.00 0.00 0.00 0.00 19.45 20.40 1nx4 n ALA 12 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1nx4 h SER 13 N 0.00 0.00 0.00 0.00 4.64 -1.96 -3.46 113.55 112.77 1nx4 h SER 13 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1nx4 h SER 13 Cb 1.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.62 1nx4 h SER 13 CO 0.01 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 1nx4 n GLY 14 N -0.08 0.58 3.83 -0.77 0.00 -1.26 -5.11 105.19 102.38 1nx4 n GLY 14 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1nx4 n GLY 14 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1nx4 s PHE 15 N -2.00 3.09 0.13 1.61 5.36 -1.26 -4.71 117.98 120.20 1nx4 s PHE 15 Ca 0.00 1.26 0.00 0.00 -0.96 0.00 0.00 56.93 57.23 1nx4 s PHE 15 Cb 0.00 -2.98 0.00 0.00 -0.34 0.00 0.00 43.02 39.70 1nx4 s PHE 15 CO 0.00 -1.37 0.00 0.41 -1.46 0.00 0.00 175.22 172.80 1nx4 n GLY 16 N -2.24 -2.97 2.72 13.12 0.00 -0.15 -1.28 105.19 114.40 1nx4 n GLY 16 Ca 0.07 -1.26 -0.25 0.00 0.00 0.00 0.00 46.02 44.58 1nx4 n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nx4 s ALA 17 N -3.94 0.75 -0.12 4.61 0.00 -0.39 -2.99 121.76 119.68 1nx4 s ALA 17 Ca 0.00 -0.38 -0.24 0.00 0.00 0.00 0.00 51.96 51.34 1nx4 s ALA 17 Cb 0.00 -0.97 -0.03 0.00 0.00 0.00 0.00 23.12 22.12 1nx4 s ALA 17 CO 0.00 -0.89 0.76 0.71 0.00 0.00 0.00 175.76 176.33 1nx4 s TYR 18 N 1.96 3.49 -0.09 0.00 4.12 0.21 -0.78 117.35 126.27 1nx4 s TYR 18 Ca 0.02 1.23 0.01 0.00 0.02 0.00 0.00 57.07 58.35 1nx4 s TYR 18 Cb -0.15 -2.90 0.02 0.00 -1.52 0.00 0.00 41.96 37.40 1nx4 s TYR 18 CO -0.07 -0.08 -0.11 0.42 0.02 0.00 0.00 175.55 175.73 1nx4 s ILE 19 N 1.50 1.15 0.39 2.71 1.01 0.01 -1.77 121.20 126.20 1nx4 s ILE 19 Ca 0.37 -0.43 -0.27 0.00 0.00 0.00 0.00 60.65 60.33 1nx4 s ILE 19 Cb -0.17 -1.09 -0.11 0.00 0.01 0.00 0.00 42.46 41.10 1nx4 s ILE 19 CO 0.15 0.37 1.35 -0.67 0.00 0.00 0.00 174.94 176.14 1nx4 n ASP 20 N 4.33 3.02 -0.21 3.58 -0.08 -1.26 -4.22 116.55 121.70 1nx4 n ASP 20 Ca -0.18 1.17 0.15 0.00 -1.51 0.00 0.00 54.79 54.42 1nx4 n ASP 20 Cb 0.51 -1.54 0.46 0.00 2.34 0.00 0.00 41.12 42.90 1nx4 n ASP 20 CO 0.00 0.00 0.00 1.12 0.12 0.00 0.00 177.20 178.44 1nx4 h HIS 21 N 2.48 0.61 0.14 -0.67 2.07 -1.92 0.75 115.15 118.61 1nx4 h HIS 21 Ca -0.48 0.02 -0.01 0.00 -2.85 0.00 0.00 60.37 57.05 1nx4 h HIS 21 Cb 1.27 -0.19 0.00 0.00 2.57 0.00 0.00 27.41 31.07 1nx4 h HIS 21 CO 0.50 0.22 -0.07 0.00 -3.07 0.00 0.00 177.93 175.51 1nx4 h ARG 22 N 0.51 -0.19 -0.93 5.12 3.08 -1.93 -1.80 114.38 118.25 1nx4 h ARG 22 Ca 0.41 0.01 0.16 0.00 0.07 0.00 0.00 59.98 60.63 1nx4 h ARG 22 Cb 0.84 0.04 -0.10 0.00 0.08 0.00 0.00 29.97 30.84 1nx4 h ARG 22 CO -0.16 0.26 0.53 -0.44 -1.07 0.00 0.00 179.97 179.09 1nx4 h ASP 23 N -0.76 0.69 -0.15 7.04 3.32 -1.86 -1.04 116.42 123.66 1nx4 h ASP 23 Ca -0.02 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 1nx4 h ASP 23 Cb 0.53 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1nx4 h ASP 23 CO 0.03 0.29 0.07 0.15 -1.72 0.00 0.00 179.24 178.06 1nx4 h PHE 24 N 0.74 0.21 0.00 4.55 3.57 -0.80 -2.39 116.94 122.82 1nx4 h PHE 24 Ca 0.51 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.91 1nx4 h PHE 24 Cb 0.70 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 1nx4 h PHE 24 CO -0.05 0.25 -0.42 -0.07 -2.23 0.00 0.00 178.31 175.80 1nx4 h LEU 25 N 0.12 0.00 0.00 0.59 3.38 -0.76 -2.84 115.31 115.80 1nx4 h LEU 25 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1nx4 h LEU 25 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1nx4 h LEU 25 CO -0.01 0.42 -0.24 -0.33 0.09 0.00 0.00 178.44 178.37 1nx4 h GLU 26 N 0.00 0.00 -6.87 1.13 5.08 -1.17 -3.46 114.58 109.29 1nx4 h GLU 26 Ca -0.00 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.89 1nx4 h GLU 26 Cb 0.82 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 1nx4 h GLU 26 CO 0.05 0.00 0.31 0.00 -1.00 0.00 0.00 179.01 178.37 1nx4 s ALA 27 N -3.18 3.21 0.44 3.43 0.00 -0.91 -5.02 121.76 119.73 1nx4 s ALA 27 Ca 0.07 0.44 -0.25 0.00 0.00 0.00 0.00 51.96 52.22 1nx4 s ALA 27 Cb 0.10 -3.12 -0.08 0.00 0.00 0.00 0.00 23.12 20.02 1nx4 s ALA 27 CO 0.67 0.19 1.32 0.15 0.00 0.00 0.00 175.76 178.09 1nx4 s LYS 28 N -2.30 3.77 0.22 0.00 1.02 -1.26 -4.93 119.74 116.26 1nx4 s LYS 28 Ca 0.52 2.17 -0.11 0.00 0.02 0.00 0.00 55.97 58.58 1nx4 s LYS 28 Cb -0.16 -2.63 0.31 0.00 -0.52 0.00 0.00 37.83 34.83 1nx4 s LYS 28 CO 0.21 -0.66 1.64 1.15 -0.92 0.00 0.00 175.35 176.77 1nx4 h THR 29 N 2.23 0.41 -0.75 2.17 2.02 -1.95 -2.09 112.91 114.94 1nx4 h THR 29 Ca -0.50 -0.02 0.05 0.00 0.77 0.00 0.00 66.41 66.71 1nx4 h THR 29 Cb 1.26 0.33 -0.05 0.00 -1.74 0.00 0.00 68.15 67.95 1nx4 h THR 29 CO 0.61 0.01 0.50 -0.08 0.37 0.00 0.00 175.52 176.93 1nx4 h GLU 30 N 0.07 0.83 -0.68 6.66 4.57 -1.94 0.71 114.58 124.81 1nx4 h GLU 30 Ca 0.34 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.43 1nx4 h GLU 30 Cb 0.55 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.93 1nx4 h GLU 30 CO -0.61 0.55 0.28 1.15 -1.18 0.00 0.00 179.01 179.20 1nx4 h THR 31 N 0.86 1.24 -0.03 0.32 2.02 -1.72 0.82 112.91 116.41 1nx4 h THR 31 Ca 0.31 -0.74 -0.07 0.00 0.77 0.00 0.00 66.41 66.68 1nx4 h THR 31 Cb 0.16 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 1nx4 h THR 31 CO -0.10 0.30 -0.26 0.40 0.37 0.00 0.00 175.52 176.23 1nx4 h ILE 32 N 0.97 1.48 -0.59 3.11 1.08 -1.15 -1.43 117.51 120.97 1nx4 h ILE 32 Ca 0.23 -1.78 0.11 0.00 -0.39 0.00 0.00 64.86 63.03 1nx4 h ILE 32 Cb 0.19 2.51 -0.08 0.00 -3.07 0.00 0.00 36.82 36.37 1nx4 h ILE 32 CO -0.02 0.50 0.15 0.50 -0.69 0.00 0.00 178.15 178.59 1nx4 h LYS 33 N -0.33 0.28 -0.21 2.37 3.64 -0.85 0.63 116.57 122.10 1nx4 h LYS 33 Ca -0.02 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1nx4 h LYS 33 Cb 0.95 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.69 1nx4 h LYS 33 CO 0.05 0.19 0.12 -0.91 -2.27 0.00 0.00 179.45 176.63 1nx4 h ASN 34 N 0.29 0.19 -0.86 4.20 -0.26 -0.84 -3.16 115.58 115.16 1nx4 h ASN 34 Ca 0.31 0.00 0.03 0.00 -0.56 0.00 0.00 56.30 56.08 1nx4 h ASN 34 Cb 0.44 -0.04 -0.05 0.00 -1.06 0.00 0.00 38.32 37.61 1nx4 h ASN 34 CO -0.37 0.14 0.56 0.25 -1.06 0.00 0.00 177.43 176.95 1nx4 h LEU 35 N 0.25 0.93 -3.73 1.61 5.85 0.03 -3.33 115.31 116.92 1nx4 h LEU 35 Ca 0.08 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1nx4 h LEU 35 Cb -0.00 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.81 1nx4 h LEU 35 CO -0.04 0.65 0.00 0.18 -0.34 0.00 0.00 178.44 178.89 1nx4 n LEU 36 N -4.53 0.00 0.00 2.25 4.77 0.05 -0.54 117.00 118.99 1nx4 n LEU 36 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1nx4 n LEU 36 Cb 0.07 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1nx4 n LEU 36 CO 0.34 0.00 0.00 -2.11 -1.33 0.00 0.00 177.39 174.29 1nx4 n ARG 38 N 1.46 0.00 0.00 3.23 1.85 -1.25 -0.28 116.66 121.67 1nx4 n ARG 38 Ca 0.00 0.00 0.11 0.00 -1.00 0.00 0.00 57.85 56.96 1nx4 n ARG 38 Cb 0.00 0.00 0.08 0.00 -1.05 0.00 0.00 32.46 31.49 1nx4 n ARG 38 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1nx4 n GLN 39 N -0.46 0.05 0.00 2.89 1.13 0.30 -4.82 117.38 116.46 1nx4 n GLN 39 Ca 0.00 -0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1nx4 n GLN 39 Cb 0.00 -1.52 0.00 0.00 0.11 0.00 0.00 30.24 28.83 1nx4 n GLN 39 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1nx4 n GLY 40 N 1.48 1.27 3.35 1.08 0.00 0.61 -0.97 105.19 112.00 1nx4 n GLY 40 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 1nx4 n GLY 40 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1nx4 s PHE 41 N 0.00 -0.35 -0.06 1.61 -0.12 -1.26 -0.82 117.98 116.98 1nx4 s PHE 41 Ca 0.00 0.50 0.05 0.00 -0.05 0.00 0.00 56.93 57.43 1nx4 s PHE 41 Cb 0.00 0.24 -0.00 0.00 -0.63 0.00 0.00 43.02 42.62 1nx4 s PHE 41 CO 0.00 -0.52 -0.20 0.08 -0.05 0.00 0.00 175.22 174.53 1nx4 s VAL 42 N -1.71 1.69 -0.16 -2.49 1.01 0.33 -1.26 120.40 117.80 1nx4 s VAL 42 Ca -0.10 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.05 1nx4 s VAL 42 Cb -0.02 -1.45 0.02 0.00 0.00 0.00 0.00 36.38 34.93 1nx4 s VAL 42 CO 0.03 0.48 -0.18 -0.69 0.00 0.00 0.00 175.10 174.74 1nx4 s VAL 43 N 0.08 1.82 -0.10 2.92 1.01 0.04 -1.33 120.40 124.84 1nx4 s VAL 43 Ca -0.07 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.15 1nx4 s VAL 43 Cb -0.14 -1.66 0.00 0.00 0.00 0.00 0.00 36.38 34.58 1nx4 s VAL 43 CO 0.04 0.50 -0.23 -0.69 0.00 0.00 0.00 175.10 174.72 1nx4 s VAL 44 N 1.28 1.99 0.36 2.92 1.01 -0.37 -0.81 120.40 126.77 1nx4 s VAL 44 Ca 0.02 -0.97 0.08 0.00 0.00 0.00 0.00 61.98 61.11 1nx4 s VAL 44 Cb -0.13 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 1nx4 s VAL 44 CO -0.10 0.54 0.25 -0.54 0.00 0.00 0.00 175.10 175.25 1nx4 s LYS 45 N 0.45 2.51 -1.62 2.72 1.02 -1.26 -0.87 119.74 122.69 1nx4 s LYS 45 Ca -0.17 -1.49 -0.04 0.00 0.02 0.00 0.00 55.97 54.30 1nx4 s LYS 45 Cb -0.17 -2.30 0.00 0.00 -0.52 0.00 0.00 37.83 34.84 1nx4 s LYS 45 CO 0.07 0.02 0.46 0.09 -0.92 0.00 0.00 175.35 175.06 1nx4 n ASN 46 N -1.32 -6.10 -4.65 2.83 3.02 -1.23 -4.15 115.26 103.64 1nx4 n ASN 46 Ca -0.01 -0.22 -0.38 0.00 -0.03 0.00 0.00 54.58 53.94 1nx4 n ASN 46 Cb 0.61 -4.97 -0.08 0.00 -0.61 0.00 0.00 39.78 34.74 1nx4 n ASN 46 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1nx4 s LEU 47 N -6.54 4.12 -0.76 3.41 0.20 -0.87 -4.92 118.68 113.32 1nx4 s LEU 47 Ca 0.23 0.45 -0.04 0.00 0.69 0.00 0.00 54.13 55.46 1nx4 s LEU 47 Cb -0.10 -2.49 0.19 0.00 -0.43 0.00 0.00 46.19 43.37 1nx4 s LEU 47 CO 0.28 -0.11 0.62 -0.62 -0.29 0.00 0.00 176.35 176.24 1nx4 s ASP 48 N 1.20 5.73 0.26 3.68 2.15 -1.26 -4.31 116.67 124.12 1nx4 s ASP 48 Ca 0.18 -3.20 0.11 0.00 0.43 0.00 0.00 52.55 50.06 1nx4 s ASP 48 Cb -0.15 -1.92 -0.05 0.00 -0.30 0.00 0.00 42.92 40.50 1nx4 s ASP 48 CO 0.08 -0.31 -0.19 0.27 -0.17 0.00 0.00 175.17 174.85 1nx4 s ILE 49 N -0.58 2.31 0.64 4.11 -4.36 -1.26 -5.15 121.20 116.90 1nx4 s ILE 49 Ca 0.21 -2.36 0.04 0.00 -0.26 0.00 0.00 60.65 58.28 1nx4 s ILE 49 Cb -0.14 -2.24 0.12 0.00 1.25 0.00 0.00 42.46 41.45 1nx4 s ILE 49 CO -0.08 -0.44 0.88 -0.90 0.24 0.00 0.00 174.94 174.64 1nx4 n ASP 50 N -0.56 1.63 0.18 4.36 5.75 -1.26 -4.94 116.55 121.71 1nx4 n ASP 50 Ca -0.06 -2.27 0.04 0.00 -0.01 0.00 0.00 54.79 52.49 1nx4 n ASP 50 Cb 0.60 -0.53 0.46 0.00 -1.03 0.00 0.00 41.12 40.62 1nx4 n ASP 50 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1nx4 h SER 51 N -0.27 0.10 -0.24 -1.12 4.64 -2.01 -1.98 113.55 112.66 1nx4 h SER 51 Ca -0.29 -0.02 -0.19 0.00 -0.47 0.00 0.00 61.79 60.82 1nx4 h SER 51 Cb 1.19 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1nx4 h SER 51 CO 0.36 0.26 -0.57 0.44 -0.87 0.00 0.00 176.83 176.44 1nx4 h ASP 52 N 0.10 0.94 -0.18 4.97 3.32 -1.99 -1.81 116.42 121.77 1nx4 h ASP 52 Ca 0.02 -0.52 -0.16 0.00 0.02 0.00 0.00 57.03 56.39 1nx4 h ASP 52 Cb 0.33 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 1nx4 h ASP 52 CO 0.02 1.31 -0.48 0.74 -1.72 0.00 0.00 179.24 179.11 1nx4 h THR 53 N 0.64 1.29 -0.45 0.35 2.02 -1.91 -1.65 112.91 113.20 1nx4 h THR 53 Ca 0.01 -1.68 0.02 0.00 0.77 0.00 0.00 66.41 65.52 1nx4 h THR 53 Cb 1.18 1.59 -0.03 0.00 -1.74 0.00 0.00 68.15 69.15 1nx4 h THR 53 CO 0.13 0.54 0.28 0.15 0.37 0.00 0.00 175.52 176.98 1nx4 h PHE 54 N 0.59 0.52 -0.43 3.16 3.57 -1.26 0.39 116.94 123.49 1nx4 h PHE 54 Ca 0.03 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.57 1nx4 h PHE 54 Cb 1.05 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.59 1nx4 h PHE 54 CO 0.06 0.31 0.25 -0.09 -2.23 0.00 0.00 178.31 176.60 1nx4 h ARG 55 N 0.56 0.48 -1.00 1.11 2.43 -1.23 -0.84 114.38 115.88 1nx4 h ARG 55 Ca 0.18 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.34 1nx4 h ARG 55 Cb -0.01 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.38 1nx4 h ARG 55 CO -0.07 0.32 0.66 -0.44 -1.51 0.00 0.00 179.97 178.93 1nx4 h ASP 56 N 0.50 1.12 0.30 -3.80 3.32 -0.45 -0.66 116.42 116.75 1nx4 h ASP 56 Ca 0.17 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 1nx4 h ASP 56 Cb 0.02 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.31 1nx4 h ASP 56 CO -0.09 0.79 -0.14 0.40 -1.72 0.00 0.00 179.24 178.48 1nx4 h ILE 57 N 1.31 0.72 -0.13 0.35 2.04 -0.60 -3.29 117.51 117.92 1nx4 h ILE 57 Ca 0.38 -0.52 -0.17 0.00 1.00 0.00 0.00 64.86 65.56 1nx4 h ILE 57 Cb -0.07 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 1nx4 h ILE 57 CO -0.10 0.10 -0.63 0.10 0.00 0.00 0.00 178.15 177.62 1nx4 h TYR 58 N -0.69 0.59 0.00 1.37 -0.00 -0.91 -3.22 116.97 114.11 1nx4 h TYR 58 Ca -0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 58.73 58.43 1nx4 h TYR 58 Cb 0.48 -0.10 -0.00 0.00 0.00 0.00 0.00 36.73 37.10 1nx4 h TYR 58 CO 0.01 0.96 -0.11 0.66 -0.00 0.00 0.00 178.16 179.69 1nx4 h SER 59 N 0.34 0.00 0.60 0.10 4.64 -1.25 -1.57 113.55 116.41 1nx4 h SER 59 Ca -0.01 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1nx4 h SER 59 Cb 1.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1nx4 h SER 59 CO 0.11 0.11 -0.02 0.00 -0.87 0.00 0.00 176.83 176.16 1nx4 h ALA 60 N 1.89 1.04 0.00 5.18 0.00 -1.62 -3.18 119.26 122.56 1nx4 h ALA 60 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1nx4 h ALA 60 Cb 0.42 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1nx4 h ALA 60 CO 0.01 0.03 0.00 0.66 0.00 0.00 0.00 179.25 179.95 1nx4 n TYR 61 N -3.16 0.00 -0.75 0.00 4.02 -0.59 -4.98 117.16 111.69 1nx4 n TYR 61 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 1nx4 n TYR 61 Cb 0.22 -0.50 0.00 0.00 -0.02 0.00 0.00 39.34 39.05 1nx4 n TYR 61 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1nx4 n GLY 62 N 1.02 -0.51 3.74 2.72 0.00 -1.20 -4.80 105.19 106.15 1nx4 n GLY 62 Ca 0.06 -0.80 -0.39 0.00 0.00 0.00 0.00 46.02 44.89 1nx4 n GLY 62 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nx4 s THR 63 N -3.81 5.08 0.12 2.61 2.01 0.05 -4.83 115.64 116.88 1nx4 s THR 63 Ca 0.00 1.13 -0.31 0.00 0.31 0.00 0.00 61.69 62.82 1nx4 s THR 63 Cb 0.00 -3.89 -0.09 0.00 0.01 0.00 0.00 72.50 68.53 1nx4 s THR 63 CO 0.00 0.34 1.48 -0.63 -0.69 0.00 0.00 174.62 175.12 1nx4 s ILE 64 N 0.39 3.06 -0.20 1.82 1.01 -1.26 -1.58 121.20 124.44 1nx4 s ILE 64 Ca 0.30 0.72 -0.15 0.00 0.00 0.00 0.00 60.65 61.52 1nx4 s ILE 64 Cb -0.16 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 1nx4 s ILE 64 CO 0.14 0.05 0.36 -0.69 0.00 0.00 0.00 174.94 174.80 1nx4 s VAL 65 N 1.36 5.23 0.14 2.92 1.01 0.31 -4.94 120.40 126.44 1nx4 s VAL 65 Ca 0.67 0.64 0.02 0.00 0.00 0.00 0.00 61.98 63.32 1nx4 s VAL 65 Cb -0.39 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.31 1nx4 s VAL 65 CO 0.30 0.28 0.17 -0.62 0.00 0.00 0.00 175.10 175.24 1nx4 n GLU 66 N 4.29 1.00 -3.28 2.72 1.02 -1.26 -4.50 120.64 120.62 1nx4 n GLU 66 Ca -0.09 -0.77 -0.16 0.00 -0.02 0.00 0.00 57.16 56.11 1nx4 n GLU 66 Cb 0.51 -0.02 0.08 0.00 -0.02 0.00 0.00 31.44 31.99 1nx4 n GLU 66 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1nx4 n ARG 79 N -1.19 -5.98 -0.08 3.49 0.00 -1.26 -5.13 116.66 106.51 1nx4 n ARG 79 Ca 0.03 0.73 -0.14 0.00 -0.00 0.00 0.00 57.85 58.47 1nx4 n ARG 79 Cb 0.15 -5.42 -0.08 0.00 -0.00 0.00 0.00 32.46 27.10 1nx4 n ARG 79 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.63 178.01 1nx4 h ASP 80 N -1.79 0.00 -3.61 2.89 3.04 -1.97 -3.46 116.42 111.52 1nx4 h ASP 80 Ca -0.51 -0.43 -0.62 0.00 -3.24 0.00 0.00 57.03 52.23 1nx4 h ASP 80 Cb 1.30 0.00 -0.13 0.00 -1.04 0.00 0.00 39.33 39.46 1nx4 h ASP 80 CO 0.44 1.12 -0.21 -0.89 -2.04 0.00 0.00 179.24 177.66 1nx4 s THR 81 N -2.22 5.18 -0.17 1.15 2.01 -1.26 -4.68 115.64 115.65 1nx4 s THR 81 Ca -0.21 0.63 -0.23 0.00 0.31 0.00 0.00 61.69 62.20 1nx4 s THR 81 Cb 0.03 -3.71 -0.02 0.00 0.01 0.00 0.00 72.50 68.80 1nx4 s THR 81 CO 0.46 0.19 0.70 -0.22 -0.69 0.00 0.00 174.62 175.07 1nx4 s LEU 82 N 1.77 4.18 -0.85 4.42 0.20 -0.18 -4.85 118.68 123.36 1nx4 s LEU 82 Ca 0.17 0.99 -0.17 0.00 0.69 0.00 0.00 54.13 55.80 1nx4 s LEU 82 Cb -0.15 -3.02 0.16 0.00 -0.43 0.00 0.00 46.19 42.74 1nx4 s LEU 82 CO 0.09 -0.29 0.95 -1.59 -0.29 0.00 0.00 176.35 175.21 1nx4 s LYS 83 N 1.84 3.52 -0.64 1.98 0.00 -1.26 -0.58 119.74 124.61 1nx4 s LYS 83 Ca 0.33 -1.93 -0.27 0.00 0.00 0.00 0.00 55.97 54.09 1nx4 s LYS 83 Cb -0.16 -4.65 0.03 0.00 0.00 0.00 0.00 37.83 33.05 1nx4 s LYS 83 CO 0.12 -1.58 1.20 -0.51 0.00 0.00 0.00 175.35 174.58 1nx4 s LEU 84 N 1.83 3.41 0.00 2.77 1.43 -0.84 -4.81 118.68 122.47 1nx4 s LEU 84 Ca 0.25 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.21 1nx4 s LEU 84 Cb -0.09 -2.90 0.02 0.00 0.03 0.00 0.00 46.19 43.25 1nx4 s LEU 84 CO -0.07 -1.60 0.54 -0.62 0.23 0.00 0.00 176.35 174.82 1nx4 n GLU 85 N 8.72 0.05 -1.82 1.70 1.02 -1.26 -0.30 120.64 128.75 1nx4 n GLU 85 Ca 0.06 -0.59 0.00 0.00 -0.02 0.00 0.00 57.16 56.61 1nx4 n GLU 85 Cb 0.49 -1.01 0.00 0.00 -0.02 0.00 0.00 31.44 30.90 1nx4 n GLU 85 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nx4 n GLY 86 N 0.24 0.47 3.72 0.62 0.00 -1.08 -4.46 105.19 104.70 1nx4 n GLY 86 Ca 0.01 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 1nx4 n GLY 86 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nx4 s GLU 87 N -3.55 4.56 0.30 1.61 0.41 0.33 -4.75 118.70 117.60 1nx4 s GLU 87 Ca 0.00 1.31 -0.29 0.00 -0.41 0.00 0.00 54.97 55.58 1nx4 s GLU 87 Cb 0.00 -3.43 -0.09 0.00 -1.78 0.00 0.00 34.13 28.82 1nx4 s GLU 87 CO 0.00 0.05 1.09 0.15 -0.49 0.00 0.00 175.26 176.06 1nx4 s LYS 88 N 0.69 4.58 0.00 1.61 1.02 -1.26 -3.50 119.74 122.87 1nx4 s LYS 88 Ca 0.48 1.77 0.00 0.00 0.02 0.00 0.00 55.97 58.23 1nx4 s LYS 88 Cb -0.21 -3.11 0.00 0.00 -0.52 0.00 0.00 37.83 33.99 1nx4 s LYS 88 CO 0.26 0.17 0.00 0.41 -0.92 0.00 0.00 175.35 175.27 1nx4 n GLY 89 N 1.09 0.62 3.41 -3.33 0.00 -1.26 -5.05 105.19 100.66 1nx4 n GLY 89 Ca -0.00 -0.37 -0.20 0.00 0.00 0.00 0.00 46.02 45.45 1nx4 n GLY 89 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nx4 s LYS 90 N -0.83 1.55 0.00 1.61 -2.85 -1.23 -5.07 119.74 112.92 1nx4 s LYS 90 Ca 0.00 -1.83 0.00 0.00 -1.00 0.00 0.00 55.97 53.14 1nx4 s LYS 90 Cb 0.00 -0.77 0.00 0.00 -2.06 0.00 0.00 37.83 35.00 1nx4 s LYS 90 CO 0.00 -0.16 0.00 0.44 0.10 0.00 0.00 175.35 175.73 1nx4 n ILE 91 N -0.59 0.00 -0.13 3.79 -0.00 -1.26 -3.65 119.36 117.52 1nx4 n ILE 91 Ca -0.03 0.39 -0.09 0.00 -0.00 0.00 0.00 62.75 63.02 1nx4 n ILE 91 Cb 0.66 -1.39 -0.01 0.00 -0.00 0.00 0.00 39.64 38.90 1nx4 n ILE 91 CO 0.00 0.00 0.00 0.58 -0.00 0.00 0.00 176.55 177.13 1nx4 h VAL 92 N 0.00 1.20 -0.06 7.28 2.07 -1.94 -1.84 116.25 122.95 1nx4 h VAL 92 Ca 0.00 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1nx4 h VAL 92 Cb 0.00 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1nx4 h VAL 92 CO 0.00 0.23 0.00 0.41 0.02 0.00 0.00 177.57 178.23 1nx4 n THR 93 N -4.64 0.08 -0.15 2.57 -1.04 -1.26 -4.88 114.28 104.96 1nx4 n THR 93 Ca -0.01 -0.19 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 1nx4 n THR 93 Cb 0.16 0.10 0.00 0.00 -1.82 0.00 0.00 70.33 68.77 1nx4 n THR 93 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1nx4 n GLY 94 N 1.04 -0.94 0.32 3.41 0.00 -0.69 -0.52 105.19 107.81 1nx4 n GLY 94 Ca 0.17 -1.61 0.04 0.00 0.00 0.00 0.00 46.02 44.62 1nx4 n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nx4 n ARG 95 N -0.16 0.49 -0.38 1.61 1.74 -1.26 -4.23 116.66 114.47 1nx4 n ARG 95 Ca 0.00 -1.09 0.00 0.00 -0.77 0.00 0.00 57.85 55.99 1nx4 n ARG 95 Cb 0.00 -1.15 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 1nx4 n ARG 95 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nx4 n GLY 96 N 0.39 3.11 3.77 -0.13 0.00 -1.26 -0.27 105.19 110.80 1nx4 n GLY 96 Ca 0.05 -2.07 -0.40 0.00 0.00 0.00 0.00 46.02 43.59 1nx4 n GLY 96 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1nx4 s GLN 97 N 1.14 4.39 -0.26 1.61 0.74 -1.26 -4.35 119.66 121.67 1nx4 s GLN 97 Ca 0.00 2.08 0.01 0.00 0.05 0.00 0.00 55.36 57.50 1nx4 s GLN 97 Cb 0.00 -3.06 0.05 0.00 1.10 0.00 0.00 33.01 31.10 1nx4 s GLN 97 CO 0.00 -0.11 -0.09 -1.17 -0.55 0.00 0.00 175.29 173.37 1nx4 s LEU 98 N -1.79 3.36 0.92 3.68 2.96 -0.05 -4.90 118.68 122.87 1nx4 s LEU 98 Ca 0.49 -1.21 -0.12 0.00 -0.22 0.00 0.00 54.13 53.06 1nx4 s LEU 98 Cb -0.37 -1.59 0.14 0.00 0.50 0.00 0.00 46.19 44.87 1nx4 s LEU 98 CO 0.49 -0.18 1.14 -2.16 -1.32 0.00 0.00 176.35 174.32 1nx4 s PRO 99 N 1.19 1.10 -0.32 0.98 0.05 -1.26 -0.50 135.00 136.23 1nx4 s PRO 99 Ca -0.05 0.28 -0.44 0.00 0.05 0.00 0.00 61.00 60.84 1nx4 s PRO 99 Cb -0.19 -1.84 -0.19 0.00 0.05 0.00 0.00 34.50 32.34 1nx4 s PRO 99 CO -0.05 -2.22 1.48 1.19 0.05 0.00 0.00 177.00 177.45 1nx4 n PHE 100 N -3.78 1.52 -3.85 0.56 0.99 -1.25 -4.66 117.46 106.99 1nx4 n PHE 100 Ca 0.07 1.02 -0.07 0.00 -0.00 0.00 0.00 57.45 58.46 1nx4 n PHE 100 Cb 0.59 -2.23 -0.01 0.00 -1.00 0.00 0.00 39.48 36.83 1nx4 n PHE 100 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.76 173.38 1nx4 s HIS 101 N 2.22 -0.13 0.24 1.38 -3.43 -0.18 -0.90 115.29 114.50 1nx4 s HIS 101 Ca 1.00 -0.35 0.11 0.00 -0.80 0.00 0.00 55.06 55.01 1nx4 s HIS 101 Cb -1.36 0.73 -0.05 0.00 -1.43 0.00 0.00 32.58 30.47 1nx4 s HIS 101 CO 0.72 -1.27 -0.13 0.00 -2.00 0.00 0.00 174.74 172.06 1nx4 s ALA 102 N -3.60 2.86 0.35 -1.38 0.00 -1.24 -0.33 121.76 118.44 1nx4 s ALA 102 Ca 0.12 -1.70 -0.19 0.00 0.00 0.00 0.00 51.96 50.19 1nx4 s ALA 102 Cb -0.06 -0.51 -0.10 0.00 0.00 0.00 0.00 23.12 22.46 1nx4 s ALA 102 CO 0.07 0.34 0.84 -0.51 0.00 0.00 0.00 175.76 176.50 1nx4 s ASP 103 N -3.27 6.93 0.00 0.00 1.01 -1.26 -4.48 116.67 115.59 1nx4 s ASP 103 Ca 0.28 1.51 0.00 0.00 0.71 0.00 0.00 52.55 55.05 1nx4 s ASP 103 Cb -0.07 -2.46 0.00 0.00 1.01 0.00 0.00 42.92 41.40 1nx4 s ASP 103 CO 0.15 -0.23 0.00 0.61 0.21 0.00 0.00 175.17 175.92 1nx4 n GLY 104 N -0.26 0.44 0.34 0.21 0.00 -1.26 -4.44 105.19 100.22 1nx4 n GLY 104 Ca 0.04 -0.95 0.06 0.00 0.00 0.00 0.00 46.02 45.17 1nx4 n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nx4 n GLY 105 N -2.19 -0.17 0.11 -0.02 0.00 -1.26 -3.49 105.19 98.17 1nx4 n GLY 105 Ca 0.00 -0.34 -0.15 0.00 0.00 0.00 0.00 46.02 45.54 1nx4 n GLY 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nx4 n LEU 106 N 0.09 1.65 -4.89 0.99 4.77 -1.26 -4.73 117.00 113.62 1nx4 n LEU 106 Ca 0.06 0.12 -0.29 0.00 -0.03 0.00 0.00 56.01 55.87 1nx4 n LEU 106 Cb 0.26 -0.36 -0.01 0.00 -2.33 0.00 0.00 43.42 40.98 1nx4 n LEU 106 CO 0.12 0.68 0.44 -0.76 -1.33 0.00 0.00 177.39 176.53 1nx4 s LEU 107 N -6.30 3.71 -0.95 2.23 1.43 -1.26 -5.02 118.68 112.53 1nx4 s LEU 107 Ca -0.18 1.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.93 1nx4 s LEU 107 Cb 0.07 -3.93 0.32 0.00 0.03 0.00 0.00 46.19 42.68 1nx4 s LEU 107 CO 0.76 -0.50 1.66 0.18 0.23 0.00 0.00 176.35 178.68 1nx4 n LEU 108 N -1.85 6.83 -4.02 1.79 4.32 -1.26 -4.84 117.00 117.98 1nx4 n LEU 108 Ca 0.01 -5.44 -0.26 0.00 -0.02 0.00 0.00 56.01 50.30 1nx4 n LEU 108 Cb 0.55 -1.06 -0.17 0.00 -1.62 0.00 0.00 43.42 41.12 1nx4 n LEU 108 CO 0.51 2.10 -0.47 -0.94 -1.22 0.00 0.00 177.39 177.37 1nx4 s SER 109 N -1.74 2.06 0.15 -1.43 1.04 -1.23 -5.09 113.70 107.46 1nx4 s SER 109 Ca 0.41 -0.34 -0.31 0.00 0.48 0.00 0.00 55.95 56.18 1nx4 s SER 109 Cb 0.20 -0.91 -0.09 0.00 0.10 0.00 0.00 66.02 65.32 1nx4 s SER 109 CO -0.13 0.00 1.49 -1.58 0.98 0.00 0.00 173.24 174.00 1nx4 s GLN 110 N 0.94 4.26 -0.16 4.02 0.74 -1.26 -4.55 119.66 123.64 1nx4 s GLN 110 Ca -0.09 2.24 0.01 0.00 0.05 0.00 0.00 55.36 57.57 1nx4 s GLN 110 Cb -0.15 -3.19 0.02 0.00 1.10 0.00 0.00 33.01 30.79 1nx4 s GLN 110 CO 0.00 -0.53 -0.18 0.08 -0.55 0.00 0.00 175.29 174.12 1nx4 s VAL 111 N 1.10 1.84 -0.22 1.34 1.01 -1.26 -4.65 120.40 119.55 1nx4 s VAL 111 Ca 0.67 -0.80 -0.15 0.00 0.00 0.00 0.00 61.98 61.70 1nx4 s VAL 111 Cb -0.41 -1.68 -0.18 0.00 0.00 0.00 0.00 36.38 34.11 1nx4 s VAL 111 CO 0.31 0.50 0.04 0.47 0.00 0.00 0.00 175.10 176.42 1nx4 n ASP 112 N 4.63 1.94 -4.14 3.32 8.00 0.68 -4.60 116.55 126.38 1nx4 n ASP 112 Ca -0.19 0.32 -0.27 0.00 0.71 0.00 0.00 54.79 55.37 1nx4 n ASP 112 Cb 0.50 -0.87 -0.16 0.00 -0.02 0.00 0.00 41.12 40.57 1nx4 n ASP 112 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1nx4 s GLN 113 N -2.45 1.87 -0.02 -1.24 1.11 -0.09 -0.42 119.66 118.43 1nx4 s GLN 113 Ca -0.31 -0.63 0.03 0.00 0.01 0.00 0.00 55.36 54.46 1nx4 s GLN 113 Cb 0.09 -1.61 -0.03 0.00 -1.01 0.00 0.00 33.01 30.45 1nx4 s GLN 113 CO 0.59 0.24 -0.08 0.08 0.01 0.00 0.00 175.29 176.13 1nx4 s VAL 114 N 0.06 3.53 -0.05 1.09 1.01 -1.26 -1.10 120.40 123.68 1nx4 s VAL 114 Ca -0.05 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.25 1nx4 s VAL 114 Cb -0.12 -2.49 0.01 0.00 0.00 0.00 0.00 36.38 33.78 1nx4 s VAL 114 CO 0.03 0.48 -0.11 -0.36 0.00 0.00 0.00 175.10 175.14 1nx4 s PHE 115 N -0.90 1.24 -0.08 5.22 0.40 0.67 -4.34 117.98 120.20 1nx4 s PHE 115 Ca 0.15 -0.40 0.01 0.00 -0.60 0.00 0.00 56.93 56.08 1nx4 s PHE 115 Cb -0.11 -0.92 0.02 0.00 0.51 0.00 0.00 43.02 42.53 1nx4 s PHE 115 CO 0.05 -0.20 -0.08 -0.51 0.70 0.00 0.00 175.22 175.17 1nx4 s LEU 116 N 0.51 1.35 0.00 -0.37 1.43 0.12 -1.40 118.68 120.32 1nx4 s LEU 116 Ca -0.10 -0.25 0.06 0.00 -1.03 0.00 0.00 54.13 52.81 1nx4 s LEU 116 Cb -0.13 -0.73 -0.02 0.00 0.03 0.00 0.00 46.19 45.34 1nx4 s LEU 116 CO 0.02 -0.05 -0.19 -0.47 0.23 0.00 0.00 176.35 175.89 1nx4 s TYR 117 N 1.16 1.73 -0.47 0.29 5.04 -0.28 -0.87 117.35 123.96 1nx4 s TYR 117 Ca -0.06 -0.34 -0.17 0.00 -2.44 0.00 0.00 57.07 54.06 1nx4 s TYR 117 Cb -0.14 -1.09 0.05 0.00 0.35 0.00 0.00 41.96 41.13 1nx4 s TYR 117 CO -0.02 0.01 0.48 0.00 -1.34 0.00 0.00 175.55 174.68 1nx4 s ALA 118 N -0.56 3.46 -0.05 3.97 0.00 0.02 -0.10 121.76 128.49 1nx4 s ALA 118 Ca 0.07 -1.81 0.13 0.00 0.00 0.00 0.00 51.96 50.35 1nx4 s ALA 118 Cb -0.08 -3.16 -0.20 0.00 0.00 0.00 0.00 23.12 19.68 1nx4 s ALA 118 CO 0.00 -1.78 0.77 0.00 0.00 0.00 0.00 175.76 174.75 1nx4 h ALA 119 N 8.83 0.71 -1.79 0.00 0.00 -1.65 -1.14 119.26 124.22 1nx4 h ALA 119 Ca -0.27 -1.26 0.09 0.00 0.00 0.00 0.00 54.91 53.47 1nx4 h ALA 119 Cb 1.11 0.38 -0.20 0.00 0.00 0.00 0.00 17.79 19.07 1nx4 h ALA 119 CO 0.88 1.39 -0.12 -2.00 0.00 0.00 0.00 179.25 179.40 1nx4 s GLU 120 N -2.69 0.55 -0.11 0.00 2.12 -1.11 -4.88 118.70 112.59 1nx4 s GLU 120 Ca -0.04 1.34 -0.00 0.00 0.36 0.00 0.00 54.97 56.63 1nx4 s GLU 120 Cb 0.08 0.80 0.02 0.00 0.26 0.00 0.00 34.13 35.30 1nx4 s GLU 120 CO 0.82 -0.25 -0.08 0.42 -0.54 0.00 0.00 175.26 175.64 1nx4 s ILE 121 N 2.86 1.00 0.02 -3.70 1.09 -1.26 -1.05 121.20 120.17 1nx4 s ILE 121 Ca -0.02 -0.28 0.00 0.00 -1.10 0.00 0.00 60.65 59.25 1nx4 s ILE 121 Cb -0.12 -1.02 -0.02 0.00 -1.06 0.00 0.00 42.46 40.25 1nx4 s ILE 121 CO -0.19 0.36 -0.03 -0.54 -0.10 0.00 0.00 174.94 174.44 1nx4 s LYS 122 N 1.65 0.29 -1.86 2.79 1.02 -0.72 -4.74 119.74 118.17 1nx4 s LYS 122 Ca 0.04 -0.49 0.00 0.00 0.02 0.00 0.00 55.97 55.54 1nx4 s LYS 122 Cb -0.13 -0.02 0.00 0.00 -0.52 0.00 0.00 37.83 37.17 1nx4 s LYS 122 CO -0.07 -0.01 0.00 0.09 -0.92 0.00 0.00 175.35 174.43 1nx4 n ASN 123 N 1.95 -5.86 -3.66 2.83 3.02 -1.26 -1.91 115.26 110.37 1nx4 n ASN 123 Ca -0.21 0.07 -0.19 0.00 -0.03 0.00 0.00 54.58 54.22 1nx4 n ASN 123 Cb 0.56 -4.93 -0.17 0.00 -0.61 0.00 0.00 39.78 34.64 1nx4 n ASN 123 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1nx4 s VAL 124 N -3.00 -0.17 0.00 2.41 0.11 -1.26 -4.59 120.40 113.90 1nx4 s VAL 124 Ca 0.00 0.34 0.00 0.00 -2.93 0.00 0.00 61.98 59.39 1nx4 s VAL 124 Cb 0.00 -0.25 0.00 0.00 -1.53 0.00 0.00 36.38 34.60 1nx4 s VAL 124 CO 0.00 0.12 0.00 0.29 -3.33 0.00 0.00 175.10 172.18 1nx4 n LYS 125 N 5.31 0.95 -2.75 1.54 4.76 -1.26 -4.87 118.16 121.84 1nx4 n LYS 125 Ca -0.04 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.37 1nx4 n LYS 125 Cb 0.50 -0.92 0.08 0.00 -1.84 0.00 0.00 35.03 32.85 1nx4 n LYS 125 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1nx4 n PHE 126 N -1.30 -0.08 -3.90 2.13 7.35 -1.26 -5.00 117.46 115.40 1nx4 n PHE 126 Ca 0.00 -2.11 -0.09 0.00 -0.76 0.00 0.00 57.45 54.49 1nx4 n PHE 126 Cb 0.00 0.44 -0.02 0.00 0.35 0.00 0.00 39.48 40.25 1nx4 n PHE 126 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 1nx4 s ARG 127 N -2.17 1.88 -1.37 -4.13 3.52 -1.26 -4.96 118.95 110.45 1nx4 s ARG 127 Ca 0.21 -1.25 0.00 0.00 -0.13 0.00 0.00 55.73 54.56 1nx4 s ARG 127 Cb 0.39 0.57 0.00 0.00 -1.56 0.00 0.00 34.95 34.35 1nx4 s ARG 127 CO -0.06 -0.85 0.00 0.41 -0.81 0.00 0.00 175.30 174.00 1nx4 n GLY 128 N -0.47 0.49 3.75 8.12 0.00 -0.36 -4.83 105.19 111.89 1nx4 n GLY 128 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 1nx4 n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nx4 s ALA 129 N -2.44 2.62 -0.21 4.61 0.00 -1.26 -4.72 121.76 120.36 1nx4 s ALA 129 Ca 0.00 1.12 -0.11 0.00 0.00 0.00 0.00 51.96 52.97 1nx4 s ALA 129 Cb 0.00 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 1nx4 s ALA 129 CO 0.00 -1.25 0.18 0.99 0.00 0.00 0.00 175.76 175.67 1nx4 s THR 130 N -1.47 5.37 0.16 0.00 2.01 -0.89 -0.83 115.64 119.98 1nx4 s THR 130 Ca 0.76 0.26 0.09 0.00 0.31 0.00 0.00 61.69 63.11 1nx4 s THR 130 Cb -0.34 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 1nx4 s THR 130 CO 0.38 0.39 -0.14 0.42 -0.69 0.00 0.00 174.62 174.97 1nx4 s THR 131 N 0.70 2.95 -0.02 -0.82 -4.23 0.56 -0.17 115.64 114.60 1nx4 s THR 131 Ca 0.09 -1.67 0.04 0.00 -1.18 0.00 0.00 61.69 58.97 1nx4 s THR 131 Cb -0.12 -2.42 -0.01 0.00 1.34 0.00 0.00 72.50 71.29 1nx4 s THR 131 CO 0.02 -0.05 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.21 1nx4 s VAL 132 N -1.54 1.24 -0.11 2.29 1.01 0.91 -2.17 120.40 122.03 1nx4 s VAL 132 Ca 0.22 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.58 1nx4 s VAL 132 Cb -0.09 -1.05 0.01 0.00 0.00 0.00 0.00 36.38 35.25 1nx4 s VAL 132 CO 0.13 0.36 -0.19 0.00 0.00 0.00 0.00 175.10 175.40 1nx4 s ASP 134 N 0.79 5.48 0.35 0.00 -1.08 0.29 -2.87 116.67 119.64 1nx4 s ASP 134 Ca -0.09 -1.13 0.17 0.00 -0.52 0.00 0.00 52.55 50.97 1nx4 s ASP 134 Cb -0.16 -2.57 0.59 0.00 -1.46 0.00 0.00 42.92 39.32 1nx4 s ASP 134 CO 0.01 -2.48 1.70 1.12 0.52 0.00 0.00 175.17 176.03 1nx4 h HIS 135 N 10.46 0.00 -0.00 -5.34 2.07 -1.89 -2.23 115.15 118.22 1nx4 h HIS 135 Ca 0.16 0.00 -0.24 0.00 -2.85 0.00 0.00 60.37 57.44 1nx4 h HIS 135 Cb 0.98 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.97 1nx4 h HIS 135 CO 1.24 0.43 -0.98 0.00 -3.07 0.00 0.00 177.93 175.55 1nx4 h ALA 136 N 1.57 0.27 -0.24 6.11 0.00 -1.88 -0.20 119.26 124.89 1nx4 h ALA 136 Ca -0.00 -0.70 -0.19 0.00 0.00 0.00 0.00 54.91 54.01 1nx4 h ALA 136 Cb 0.96 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1nx4 h ALA 136 CO 0.06 0.77 -0.58 1.25 0.00 0.00 0.00 179.25 180.75 1nx4 h LEU 137 N 0.30 0.93 -0.87 0.00 5.85 -1.95 -2.61 115.31 116.95 1nx4 h LEU 137 Ca -0.10 -0.56 -0.06 0.00 0.84 0.00 0.00 57.88 58.01 1nx4 h LEU 137 Cb 1.62 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 42.36 1nx4 h LEU 137 CO 0.18 1.32 0.19 0.00 -0.34 0.00 0.00 178.44 179.79 1nx4 h ALA 138 N 0.63 1.08 -0.07 1.25 0.00 -1.33 -2.09 119.26 118.74 1nx4 h ALA 138 Ca -0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 1nx4 h ALA 138 Cb 1.19 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1nx4 h ALA 138 CO 0.13 0.62 -0.45 0.00 0.00 0.00 0.00 179.25 179.55 1nx4 h GLN 140 N 0.13 0.00 -2.05 0.00 4.15 -1.08 -3.49 115.11 112.77 1nx4 h GLN 140 Ca 0.01 0.00 -0.68 0.00 0.77 0.00 0.00 58.65 58.75 1nx4 h GLN 140 Cb 0.85 0.00 -0.35 0.00 0.21 0.00 0.00 27.48 28.19 1nx4 h GLN 140 CO 0.07 0.40 0.08 0.39 -1.93 0.00 0.00 178.83 177.83 1nx4 n GLU 141 N -3.53 3.77 -3.40 1.69 1.02 -0.82 -5.10 120.64 114.26 1nx4 n GLU 141 Ca -0.00 -4.49 -0.38 0.00 -0.02 0.00 0.00 57.16 52.26 1nx4 n GLU 141 Cb 0.53 -2.31 -0.06 0.00 -0.02 0.00 0.00 31.44 29.58 1nx4 n GLU 141 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 1nx4 s PRO 143 N -3.82 4.07 0.54 3.49 0.02 -1.26 -5.08 135.00 132.95 1nx4 s PRO 143 Ca 0.47 0.52 0.22 0.00 0.02 0.00 0.00 61.00 62.22 1nx4 s PRO 143 Cb 0.31 -3.26 1.40 0.00 0.02 0.00 0.00 34.50 32.97 1nx4 s PRO 143 CO -0.20 0.60 2.09 0.00 -0.33 0.00 0.00 177.00 179.16 1nx4 h ALA 144 N 4.95 2.13 0.00 -1.55 0.00 -1.99 -1.20 119.26 121.59 1nx4 h ALA 144 Ca -0.49 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 1nx4 h ALA 144 Cb 1.21 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1nx4 h ALA 144 CO 0.64 -0.28 -0.02 1.12 0.00 0.00 0.00 179.25 180.71 1nx4 h HIS 145 N 0.00 0.00 0.21 0.00 2.07 -2.04 -1.34 115.15 114.04 1nx4 h HIS 145 Ca 0.10 0.00 -0.34 0.00 -2.85 0.00 0.00 60.37 57.28 1nx4 h HIS 145 Cb 0.43 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.43 1nx4 h HIS 145 CO 0.00 0.02 -1.63 -0.07 -3.07 0.00 0.00 177.93 173.18 1nx4 h LEU 146 N 0.00 0.68 -0.74 6.12 3.38 -1.68 -3.36 115.31 119.71 1nx4 h LEU 146 Ca -0.00 -0.93 -0.07 0.00 0.09 0.00 0.00 57.88 56.97 1nx4 h LEU 146 Cb 0.65 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1nx4 h LEU 146 CO 0.00 1.75 0.13 0.25 0.09 0.00 0.00 178.44 180.66 1nx4 h LEU 147 N 0.08 1.04 -1.00 1.67 5.85 -1.35 -3.07 115.31 118.53 1nx4 h LEU 147 Ca -0.31 -0.23 0.08 0.00 0.84 0.00 0.00 57.88 58.26 1nx4 h LEU 147 Cb 2.09 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 42.78 1nx4 h LEU 147 CO 0.20 1.01 0.64 -0.09 -0.34 0.00 0.00 178.44 179.87 1nx4 h ARG 148 N 1.03 1.09 -0.16 1.25 2.43 -1.41 -0.18 114.38 118.42 1nx4 h ARG 148 Ca 0.21 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 1nx4 h ARG 148 Cb 0.40 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1nx4 h ARG 148 CO 0.01 0.72 0.05 0.28 -1.51 0.00 0.00 179.97 179.52 1nx4 h VAL 149 N 1.12 1.18 -0.93 0.20 2.07 -1.68 -0.17 116.25 118.04 1nx4 h VAL 149 Ca 0.45 -0.56 0.01 0.00 0.82 0.00 0.00 66.70 67.42 1nx4 h VAL 149 Cb 0.26 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 1nx4 h VAL 149 CO -0.20 0.17 0.62 -0.07 0.02 0.00 0.00 177.57 178.11 1nx4 h LEU 150 N 0.08 1.06 0.10 2.57 3.38 -1.23 -1.41 115.31 119.86 1nx4 h LEU 150 Ca 0.05 -0.03 -0.26 0.00 0.09 0.00 0.00 57.88 57.73 1nx4 h LEU 150 Cb 0.22 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1nx4 h LEU 150 CO -0.00 0.77 -1.23 -0.33 0.09 0.00 0.00 178.44 177.74 1nx4 h GLU 151 N 1.25 0.20 0.00 1.13 5.08 -0.95 -3.41 114.58 117.89 1nx4 h GLU 151 Ca 0.34 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1nx4 h GLU 151 Cb -0.13 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1nx4 h GLU 151 CO -0.08 1.15 -0.46 0.39 -1.00 0.00 0.00 179.01 179.00 1nx4 n GLU 152 N -3.47 4.16 -3.80 2.33 1.02 -0.09 -5.03 120.64 115.76 1nx4 n GLU 152 Ca -0.07 -0.01 -0.26 0.00 -0.02 0.00 0.00 57.16 56.80 1nx4 n GLU 152 Cb 1.01 -0.82 -0.03 0.00 -0.02 0.00 0.00 31.44 31.58 1nx4 n GLU 152 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1nx4 s GLU 153 N -1.66 3.48 -0.25 3.49 0.41 -0.54 -5.05 118.70 118.58 1nx4 s GLU 153 Ca 0.01 -0.50 -0.17 0.00 -0.41 0.00 0.00 54.97 53.90 1nx4 s GLU 153 Cb 0.03 -2.88 -0.03 0.00 -1.78 0.00 0.00 34.13 29.47 1nx4 s GLU 153 CO 0.19 0.43 0.47 0.99 -0.49 0.00 0.00 175.26 176.85 1nx4 s THR 154 N -1.87 5.11 -0.19 3.63 2.01 -1.26 -4.91 115.64 118.15 1nx4 s THR 154 Ca 0.36 0.80 -0.09 0.00 0.31 0.00 0.00 61.69 63.08 1nx4 s THR 154 Cb -0.11 -3.79 -0.05 0.00 0.01 0.00 0.00 72.50 68.57 1nx4 s THR 154 CO 0.29 0.13 0.11 -0.36 -0.69 0.00 0.00 174.62 174.10 1nx4 s PHE 155 N 2.10 3.37 0.21 4.92 0.40 -1.26 -0.73 117.98 127.00 1nx4 s PHE 155 Ca 0.20 0.27 0.11 0.00 -0.60 0.00 0.00 56.93 56.91 1nx4 s PHE 155 Cb -0.16 -2.13 -0.05 0.00 0.51 0.00 0.00 43.02 41.20 1nx4 s PHE 155 CO 0.09 0.27 -0.23 -1.21 0.70 0.00 0.00 175.22 174.84 1nx4 s GLU 156 N 0.32 1.53 0.01 0.44 2.02 0.37 -1.80 118.70 121.59 1nx4 s GLU 156 Ca 0.07 -1.56 0.03 0.00 0.02 0.00 0.00 54.97 53.52 1nx4 s GLU 156 Cb -0.11 -1.78 -0.01 0.00 0.10 0.00 0.00 34.13 32.32 1nx4 s GLU 156 CO -0.01 0.37 -0.08 0.08 0.02 0.00 0.00 175.26 175.64 1nx4 s VAL 157 N -1.86 0.64 -0.07 2.63 1.01 -0.27 -0.52 120.40 121.96 1nx4 s VAL 157 Ca 0.22 -0.57 0.05 0.00 0.00 0.00 0.00 61.98 61.67 1nx4 s VAL 157 Cb -0.07 -0.58 -0.00 0.00 0.00 0.00 0.00 36.38 35.72 1nx4 s VAL 157 CO 0.10 0.02 -0.22 -0.60 0.00 0.00 0.00 175.10 174.41 1nx4 s ARG 158 N -0.61 2.51 -0.10 2.72 3.52 -0.68 -1.30 118.95 125.00 1nx4 s ARG 158 Ca -0.00 -0.80 -0.28 0.00 -0.13 0.00 0.00 55.73 54.53 1nx4 s ARG 158 Cb -0.05 -2.03 -0.02 0.00 -1.56 0.00 0.00 34.95 31.29 1nx4 s ARG 158 CO 0.00 0.25 0.91 0.08 -0.81 0.00 0.00 175.30 175.73 1nx4 s VAL 159 N 0.13 4.86 -1.02 7.11 1.01 -1.26 -1.89 120.40 129.35 1nx4 s VAL 159 Ca -0.10 1.85 -0.01 0.00 0.00 0.00 0.00 61.98 63.71 1nx4 s VAL 159 Cb -0.15 -4.23 0.32 0.00 0.00 0.00 0.00 36.38 32.32 1nx4 s VAL 159 CO 0.05 0.07 1.83 0.18 0.00 0.00 0.00 175.10 177.23 1nx4 n LEU 160 N 4.74 7.36 -4.03 3.92 4.77 -0.03 -4.96 117.00 128.77 1nx4 n LEU 160 Ca 0.06 -5.37 -0.31 0.00 -0.03 0.00 0.00 56.01 50.36 1nx4 n LEU 160 Cb 0.49 -1.16 -0.16 0.00 -2.33 0.00 0.00 43.42 40.26 1nx4 n LEU 160 CO 0.50 2.04 -0.49 0.26 -1.33 0.00 0.00 177.39 178.38 1nx4 s TRP 173 N -4.32 2.31 0.03 -1.77 0.52 -1.26 -4.98 118.94 109.47 1nx4 s TRP 173 Ca 0.40 -1.37 0.02 0.00 0.02 0.00 0.00 56.10 55.17 1nx4 s TRP 173 Cb 0.20 -1.65 -0.02 0.00 -1.15 0.00 0.00 33.47 30.85 1nx4 s TRP 173 CO -0.14 -0.71 -0.07 -0.59 0.02 0.00 0.00 176.95 175.47 1nx4 s PHE 174 N 1.44 0.56 -0.00 -1.98 -0.12 -0.42 -4.93 117.98 112.53 1nx4 s PHE 174 Ca 0.03 -0.45 -0.30 0.00 -0.05 0.00 0.00 56.93 56.16 1nx4 s PHE 174 Cb -0.14 -0.35 -0.06 0.00 -0.63 0.00 0.00 43.02 41.85 1nx4 s PHE 174 CO -0.10 -0.09 1.42 0.21 -0.05 0.00 0.00 175.22 176.60 1nx4 s LYS 175 N -1.36 4.27 -0.21 1.99 2.20 -1.26 -1.12 119.74 124.25 1nx4 s LYS 175 Ca -0.09 1.98 -0.01 0.00 -0.36 0.00 0.00 55.97 57.49 1nx4 s LYS 175 Cb -0.09 -3.59 0.02 0.00 -1.51 0.00 0.00 37.83 32.66 1nx4 s LYS 175 CO 0.00 -0.59 -0.13 0.08 -0.36 0.00 0.00 175.35 174.35 1nx4 s VAL 176 N 2.48 2.57 0.03 4.02 1.01 -0.74 -4.96 120.40 124.80 1nx4 s VAL 176 Ca 0.64 -0.89 -0.30 0.00 0.00 0.00 0.00 61.98 61.43 1nx4 s VAL 176 Cb -0.32 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 1nx4 s VAL 176 CO 0.27 0.40 1.08 -2.16 0.00 0.00 0.00 175.10 174.69 1nx4 s PRO 177 N 1.33 4.50 0.02 2.72 0.04 -1.26 -4.45 135.00 137.91 1nx4 s PRO 177 Ca 0.03 1.59 -0.25 0.00 0.04 0.00 0.00 61.00 62.41 1nx4 s PRO 177 Cb -0.15 -3.40 -0.18 0.00 0.04 0.00 0.00 34.50 30.81 1nx4 s PRO 177 CO -0.08 -0.14 1.40 0.28 0.04 0.00 0.00 177.00 178.50 1nx4 h VAL 178 N 4.63 1.10 -3.80 -0.36 2.07 -1.85 -3.35 116.25 114.69 1nx4 h VAL 178 Ca -0.41 -0.67 -0.68 0.00 0.82 0.00 0.00 66.70 65.76 1nx4 h VAL 178 Cb 1.22 1.53 -0.27 0.00 -1.52 0.00 0.00 31.29 32.25 1nx4 h VAL 178 CO 0.78 0.16 -0.81 -0.36 0.02 0.00 0.00 177.57 177.36 1nx4 s PHE 179 N -4.94 2.64 -0.16 1.57 0.40 -1.26 -1.77 117.98 114.46 1nx4 s PHE 179 Ca -0.15 -0.51 0.00 0.00 -0.60 0.00 0.00 56.93 55.68 1nx4 s PHE 179 Cb 0.03 -1.68 0.03 0.00 0.51 0.00 0.00 43.02 41.90 1nx4 s PHE 179 CO 0.64 -0.08 -0.13 0.99 0.70 0.00 0.00 175.22 177.34 1nx4 s THR 180 N -0.19 1.58 -0.47 0.64 2.01 -0.53 -4.94 115.64 113.74 1nx4 s THR 180 Ca -0.01 -0.75 -0.28 0.00 0.31 0.00 0.00 61.69 60.96 1nx4 s THR 180 Cb -0.13 -1.55 0.03 0.00 0.01 0.00 0.00 72.50 70.86 1nx4 s THR 180 CO 0.03 0.36 1.05 -0.62 -0.69 0.00 0.00 174.62 174.75 1nx4 s ASP 181 N 1.46 6.59 0.00 3.53 -1.08 -1.26 -0.59 116.67 125.32 1nx4 s ASP 181 Ca 0.03 0.35 0.21 0.00 -0.52 0.00 0.00 52.55 52.62 1nx4 s ASP 181 Cb -0.14 -2.51 0.40 0.00 -1.46 0.00 0.00 42.92 39.21 1nx4 s ASP 181 CO -0.10 -1.16 1.35 0.18 0.52 0.00 0.00 175.17 175.96 1nx4 n LEU 182 N 7.54 3.35 0.00 -1.34 4.77 -0.19 -4.98 117.00 126.15 1nx4 n LEU 182 Ca 0.10 -1.52 0.00 0.00 -0.03 0.00 0.00 56.01 54.56 1nx4 n LEU 182 Cb 0.49 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1nx4 n LEU 182 CO 0.68 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 178.08 1nx4 n GLY 183 N 1.37 2.01 0.18 -0.72 0.00 -1.26 -4.53 105.19 102.25 1nx4 n GLY 183 Ca 0.18 -0.38 0.04 0.00 0.00 0.00 0.00 46.02 45.87 1nx4 n GLY 183 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 1nx4 h TRP 184 N 0.00 0.00 -3.38 1.61 5.08 -1.99 -3.44 115.95 113.83 1nx4 h TRP 184 Ca 0.00 0.00 -0.10 0.00 1.08 0.00 0.00 58.89 59.87 1nx4 h TRP 184 Cb 0.00 0.00 -0.17 0.00 -3.00 0.00 0.00 29.16 25.99 1nx4 h TRP 184 CO 0.00 0.41 -0.31 0.54 -1.28 0.00 0.00 178.44 177.80 1nx4 s VAL 185 N -3.76 0.09 -0.53 0.12 0.11 -1.26 -5.10 120.40 110.06 1nx4 s VAL 185 Ca -0.01 -0.75 -0.21 0.00 -2.93 0.00 0.00 61.98 58.09 1nx4 s VAL 185 Cb 0.12 -0.89 0.06 0.00 -1.53 0.00 0.00 36.38 34.14 1nx4 s VAL 185 CO 0.70 -0.41 0.73 -0.13 -3.33 0.00 0.00 175.10 172.66 1nx4 s ARG 186 N -2.43 3.17 0.00 1.54 0.52 -1.26 -1.02 118.95 119.47 1nx4 s ARG 186 Ca -0.06 -0.76 0.00 0.00 -0.52 0.00 0.00 55.73 54.39 1nx4 s ARG 186 Cb -0.01 -4.11 0.00 0.00 0.52 0.00 0.00 34.95 31.35 1nx4 s ARG 186 CO -0.03 -1.35 0.00 1.17 0.02 0.00 0.00 175.30 175.11 1nx4 n LYS 187 N 6.61 0.30 0.00 3.54 4.81 0.24 -4.73 118.16 128.92 1nx4 n LYS 187 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.40 1nx4 n LYS 187 Cb 0.46 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.51 1nx4 n LYS 187 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1nx4 n LEU 189 N 0.00 0.00 -3.81 3.14 4.77 -0.73 -1.45 117.00 118.92 1nx4 n LEU 189 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 1nx4 n LEU 189 Cb 0.00 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.00 1nx4 n LEU 189 CO 0.00 0.00 -0.06 -0.51 -1.33 0.00 0.00 177.39 175.49 1nx4 s ILE 190 N 0.00 0.06 -0.31 -0.08 2.07 -1.26 -3.96 121.20 117.72 1nx4 s ILE 190 Ca 0.00 -0.53 0.01 0.00 -1.41 0.00 0.00 60.65 58.72 1nx4 s ILE 190 Cb 0.00 -0.52 0.10 0.00 0.13 0.00 0.00 42.46 42.16 1nx4 s ILE 190 CO 0.00 -0.29 0.08 -0.31 -1.91 0.00 0.00 174.94 172.51 1nx4 s TYR 191 N -1.25 2.28 0.77 3.50 1.51 -1.26 -3.62 117.35 119.29 1nx4 s TYR 191 Ca -0.13 -2.07 -0.12 0.00 -1.01 0.00 0.00 57.07 53.75 1nx4 s TYR 191 Cb -0.06 -2.03 0.06 0.00 -0.11 0.00 0.00 41.96 39.82 1nx4 s TYR 191 CO 0.03 -0.89 1.11 -0.06 -1.11 0.00 0.00 175.55 174.64 1nx4 s PHE 192 N 1.42 2.37 0.48 2.71 0.40 -0.08 -4.46 117.98 120.82 1nx4 s PHE 192 Ca 0.09 1.60 -0.19 0.00 -0.60 0.00 0.00 56.93 57.83 1nx4 s PHE 192 Cb -0.18 -3.16 -0.09 0.00 0.51 0.00 0.00 43.02 40.10 1nx4 s PHE 192 CO -0.19 -2.02 1.00 -1.25 0.70 0.00 0.00 175.22 173.45 1nx4 s PRO 193 N -4.61 3.93 0.30 0.24 0.05 -1.26 -4.72 135.00 128.93 1nx4 s PRO 193 Ca 0.64 1.17 -0.28 0.00 0.05 0.00 0.00 61.00 62.59 1nx4 s PRO 193 Cb -0.20 -2.13 -0.09 0.00 0.05 0.00 0.00 34.50 32.13 1nx4 s PRO 193 CO 0.52 -0.30 1.04 -0.06 0.05 0.00 0.00 177.00 178.26 1nx4 s PHE 194 N -2.24 3.62 0.58 0.56 0.40 -1.26 -4.84 117.98 114.81 1nx4 s PHE 194 Ca 0.63 1.75 -0.20 0.00 -0.60 0.00 0.00 56.93 58.51 1nx4 s PHE 194 Cb -0.12 -3.16 -0.04 0.00 0.51 0.00 0.00 43.02 40.21 1nx4 s PHE 194 CO 0.22 -0.28 1.28 -0.51 0.70 0.00 0.00 175.22 176.62 1nx4 s ASP 195 N -1.13 5.13 0.31 1.36 -0.00 -1.26 -4.94 116.67 116.14 1nx4 s ASP 195 Ca 0.47 2.59 -0.30 0.00 -0.00 0.00 0.00 52.55 55.31 1nx4 s ASP 195 Cb -0.28 -2.62 -0.12 0.00 -0.00 0.00 0.00 42.92 39.91 1nx4 s ASP 195 CO 0.35 -1.65 1.58 -1.84 -0.00 0.00 0.00 175.17 173.61 1nx4 n GLU 196 N -1.38 2.70 0.00 8.23 -0.00 -1.26 -1.87 120.64 127.06 1nx4 n GLU 196 Ca 0.13 0.96 0.00 0.00 -0.00 0.00 0.00 57.16 58.24 1nx4 n GLU 196 Cb 0.47 -2.73 0.00 0.00 -0.00 0.00 0.00 31.44 29.18 1nx4 n GLU 196 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1nx4 n GLY 197 N 1.90 1.35 3.73 -1.84 0.00 -1.26 -5.04 105.19 104.03 1nx4 n GLY 197 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 1nx4 n GLY 197 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nx4 s GLN 198 N -0.81 4.07 -0.12 1.61 -1.52 -0.78 -5.04 119.66 117.07 1nx4 s GLN 198 Ca 0.00 -0.23 -0.29 0.00 -1.95 0.00 0.00 55.36 52.89 1nx4 s GLN 198 Cb 0.00 -3.36 -0.05 0.00 -0.22 0.00 0.00 33.01 29.38 1nx4 s GLN 198 CO 0.00 0.36 1.71 -2.14 -0.25 0.00 0.00 175.29 174.96 1nx4 s PRO 199 N 0.19 3.95 0.01 2.91 0.02 -1.26 -4.77 135.00 136.05 1nx4 s PRO 199 Ca 0.08 2.01 -0.30 0.00 0.02 0.00 0.00 61.00 62.81 1nx4 s PRO 199 Cb -0.11 -4.05 -0.03 0.00 0.02 0.00 0.00 34.50 30.32 1nx4 s PRO 199 CO -0.01 -1.12 1.03 0.00 -0.33 0.00 0.00 177.00 176.58 1nx4 s ALA 200 N 4.83 3.23 -0.18 -1.55 0.00 -1.26 -4.90 121.76 121.93 1nx4 s ALA 200 Ca 0.76 0.60 0.22 0.00 0.00 0.00 0.00 51.96 53.54 1nx4 s ALA 200 Cb -0.31 -3.37 -0.31 0.00 0.00 0.00 0.00 23.12 19.13 1nx4 s ALA 200 CO 0.31 -0.31 0.57 0.45 0.00 0.00 0.00 175.76 176.78 1nx4 n SER 201 N 4.00 0.18 -3.45 0.00 2.88 -1.26 -4.73 113.62 111.23 1nx4 n SER 201 Ca 0.07 -0.13 -0.14 0.00 -1.33 0.00 0.00 58.87 57.34 1nx4 n SER 201 Cb 0.50 1.78 -0.05 0.00 -0.75 0.00 0.00 64.21 65.69 1nx4 n SER 201 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1nx4 s TRP 202 N -3.44 0.99 -0.21 0.66 -2.14 -1.26 -0.85 118.94 112.69 1nx4 s TRP 202 Ca -0.05 -1.23 -0.08 0.00 2.66 0.00 0.00 56.10 57.40 1nx4 s TRP 202 Cb 0.14 -0.11 0.09 0.00 -3.10 0.00 0.00 33.47 30.49 1nx4 s TRP 202 CO 0.90 -1.06 0.46 -2.00 -2.66 0.00 0.00 176.95 172.59 1nx4 s GLU 203 N -3.32 0.39 0.40 3.25 2.12 -0.79 -4.68 118.70 116.07 1nx4 s GLU 203 Ca 0.30 1.03 0.03 0.00 0.36 0.00 0.00 54.97 56.69 1nx4 s GLU 203 Cb 0.00 0.29 -0.01 0.00 0.26 0.00 0.00 34.13 34.68 1nx4 s GLU 203 CO 0.18 -0.22 0.58 -1.25 -0.54 0.00 0.00 175.26 174.02 1nx4 s PRO 204 N 2.28 3.09 0.09 4.30 0.04 -1.26 -1.68 135.00 141.85 1nx4 s PRO 204 Ca -0.05 -0.71 -0.18 0.00 0.04 0.00 0.00 61.00 60.10 1nx4 s PRO 204 Cb -0.11 -2.67 0.04 0.00 0.04 0.00 0.00 34.50 31.80 1nx4 s PRO 204 CO -0.14 -0.12 0.42 -0.98 0.04 0.00 0.00 177.00 176.22 1nx4 s ARG 205 N -4.39 1.01 -0.12 4.56 1.70 0.32 -4.97 118.95 117.07 1nx4 s ARG 205 Ca 0.47 -0.51 0.02 0.00 -0.47 0.00 0.00 55.73 55.24 1nx4 s ARG 205 Cb -0.10 0.45 0.01 0.00 -0.57 0.00 0.00 34.95 34.75 1nx4 s ARG 205 CO 0.35 -0.38 -0.18 0.42 -1.08 0.00 0.00 175.30 174.43 1nx4 s ILE 206 N -3.13 1.74 0.03 4.99 1.01 -1.26 -0.48 121.20 124.10 1nx4 s ILE 206 Ca -0.01 -0.79 -0.30 0.00 0.00 0.00 0.00 60.65 59.54 1nx4 s ILE 206 Cb 0.00 -1.57 -0.07 0.00 0.01 0.00 0.00 42.46 40.84 1nx4 s ILE 206 CO -0.07 0.49 1.61 -0.69 0.00 0.00 0.00 174.94 176.28 1nx4 s VAL 207 N 0.89 3.29 0.00 2.92 1.01 0.10 -2.25 120.40 126.36 1nx4 s VAL 207 Ca -0.07 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.55 1nx4 s VAL 207 Cb -0.15 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.81 1nx4 s VAL 207 CO -0.01 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.68 1nx4 n GLY 208 N 3.97 0.61 3.54 4.51 0.00 -1.26 -4.59 105.19 111.97 1nx4 n GLY 208 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1nx4 n GLY 208 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nx4 s PHE 209 N -2.30 2.84 0.84 1.61 0.40 -0.95 -5.12 117.98 115.30 1nx4 s PHE 209 Ca 0.00 -0.06 -0.12 0.00 -0.60 0.00 0.00 56.93 56.15 1nx4 s PHE 209 Cb 0.00 -1.68 0.09 0.00 0.51 0.00 0.00 43.02 41.94 1nx4 s PHE 209 CO 0.00 0.26 1.10 0.95 0.70 0.00 0.00 175.22 178.23 1nx4 s THR 210 N -0.76 2.87 0.38 0.64 -4.23 -1.26 -4.79 115.64 108.49 1nx4 s THR 210 Ca 0.12 0.28 0.13 0.00 -1.18 0.00 0.00 61.69 61.04 1nx4 s THR 210 Cb -0.11 -2.94 0.35 0.00 1.34 0.00 0.00 72.50 71.14 1nx4 s THR 210 CO 0.01 -0.37 1.85 0.44 -0.54 0.00 0.00 174.62 176.01 1nx4 h ASP 211 N -1.27 0.55 -0.27 3.99 3.32 -1.99 -0.45 116.42 120.30 1nx4 h ASP 211 Ca -0.48 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 56.61 1nx4 h ASP 211 Cb 1.28 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 1nx4 h ASP 211 CO 0.58 0.23 0.14 -0.74 -1.72 0.00 0.00 179.24 177.73 1nx4 h HIS 212 N 0.56 0.38 -0.27 4.55 2.76 -1.99 -2.17 115.15 118.96 1nx4 h HIS 212 Ca 0.48 -0.01 -0.14 0.00 -2.20 0.00 0.00 60.37 58.50 1nx4 h HIS 212 Cb 0.99 -0.12 -0.00 0.00 1.55 0.00 0.00 27.41 29.83 1nx4 h HIS 212 CO -0.00 0.33 -0.37 0.93 -1.30 0.00 0.00 177.93 177.52 1nx4 h GLU 213 N 0.31 0.72 -0.48 5.26 5.08 -1.50 -1.69 114.58 122.28 1nx4 h GLU 213 Ca 0.09 -0.42 -0.10 0.00 -1.00 0.00 0.00 59.36 57.94 1nx4 h GLU 213 Cb 0.08 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1nx4 h GLU 213 CO -0.01 1.04 -0.11 1.15 -1.00 0.00 0.00 179.01 180.08 1nx4 h THR 214 N 0.45 1.26 -0.33 1.13 2.02 -1.19 0.30 112.91 116.55 1nx4 h THR 214 Ca 0.03 -1.21 -0.10 0.00 0.77 0.00 0.00 66.41 65.90 1nx4 h THR 214 Cb 0.95 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 68.36 1nx4 h THR 214 CO 0.09 0.42 -0.20 -0.61 0.37 0.00 0.00 175.52 175.59 1nx4 h GLN 215 N 0.79 0.72 -0.64 6.66 4.15 -1.35 -1.74 115.11 123.70 1nx4 h GLN 215 Ca 0.13 -0.33 -0.08 0.00 0.77 0.00 0.00 58.65 59.14 1nx4 h GLN 215 Cb 0.62 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.27 1nx4 h GLN 215 CO 0.04 0.94 0.10 0.00 -1.93 0.00 0.00 178.83 177.99 1nx4 h ALA 216 N 0.77 0.86 -0.30 3.38 0.00 -1.14 -0.29 119.26 122.53 1nx4 h ALA 216 Ca 0.07 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1nx4 h ALA 216 Cb 0.75 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1nx4 h ALA 216 CO 0.06 0.62 0.13 0.35 0.00 0.00 0.00 179.25 180.40 1nx4 h PHE 217 N 0.98 0.46 -0.40 0.00 3.57 -0.81 -1.41 116.94 119.33 1nx4 h PHE 217 Ca 0.20 -0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.52 1nx4 h PHE 217 Cb 0.44 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 1nx4 h PHE 217 CO 0.03 0.44 -0.32 0.74 -2.23 0.00 0.00 178.31 176.97 1nx4 h PHE 218 N 0.34 1.06 -0.75 0.41 0.05 -1.14 -0.85 116.94 116.06 1nx4 h PHE 218 Ca 0.10 -0.29 0.01 0.00 3.82 0.00 0.00 57.97 61.61 1nx4 h PHE 218 Cb 0.17 -0.23 -0.04 0.00 2.00 0.00 0.00 35.95 37.85 1nx4 h PHE 218 CO -0.01 1.10 0.49 0.37 -0.18 0.00 0.00 178.31 180.08 1nx4 h GLN 219 N 0.75 0.98 -0.10 1.51 4.15 -0.87 -0.81 115.11 120.74 1nx4 h GLN 219 Ca 0.08 -0.06 -0.10 0.00 0.77 0.00 0.00 58.65 59.33 1nx4 h GLN 219 Cb 0.90 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.37 1nx4 h GLN 219 CO 0.08 0.65 -0.34 1.49 -1.93 0.00 0.00 178.83 178.78 1nx4 h GLU 220 N 1.01 0.40 -0.68 1.69 4.81 -1.14 -2.78 114.58 117.89 1nx4 h GLU 220 Ca 0.27 -0.31 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1nx4 h GLU 220 Cb -0.12 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.29 1nx4 h GLU 220 CO -0.06 0.93 0.41 1.25 -0.73 0.00 0.00 179.01 180.81 1nx4 h LEU 221 N -0.04 0.82 -0.69 1.64 5.85 -1.13 -2.49 115.31 119.27 1nx4 h LEU 221 Ca -0.02 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.66 1nx4 h LEU 221 Cb 0.98 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 1nx4 h LEU 221 CO 0.07 0.64 0.44 1.23 -0.34 0.00 0.00 178.44 180.48 1nx4 h GLY 222 N 0.92 0.98 1.69 3.75 0.00 -1.12 0.64 103.07 109.94 1nx4 h GLY 222 Ca 0.24 -0.33 -0.07 0.00 0.00 0.00 0.00 47.33 47.17 1nx4 h GLY 222 CO -0.05 0.30 -0.17 0.00 0.00 0.00 0.00 176.54 176.62 1nx4 h ALA 223 N 1.28 1.30 -0.31 3.60 0.00 -1.45 -1.28 119.26 122.41 1nx4 h ALA 223 Ca 0.27 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1nx4 h ALA 223 Cb -0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1nx4 h ALA 223 CO -0.09 0.47 -0.25 0.35 0.00 0.00 0.00 179.25 179.73 1nx4 h PHE 224 N 0.35 0.85 0.00 0.00 3.57 -0.73 -3.04 116.94 117.93 1nx4 h PHE 224 Ca 0.06 -0.24 0.00 0.00 3.53 0.00 0.00 57.97 61.32 1nx4 h PHE 224 Cb 0.51 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.07 1nx4 h PHE 224 CO 0.01 0.98 0.00 -0.07 -2.23 0.00 0.00 178.31 177.00 1nx4 h LEU 225 N 0.47 0.00 -1.33 0.59 3.38 -0.20 -2.93 115.31 115.29 1nx4 h LEU 225 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1nx4 h LEU 225 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1nx4 h LEU 225 CO 0.06 0.00 -0.11 0.29 0.09 0.00 0.00 178.44 178.77 1nx4 n LYS 226 N -2.71 1.78 -1.81 1.13 5.02 -0.55 -4.33 118.16 116.68 1nx4 n LYS 226 Ca 0.01 -1.33 -0.42 0.00 -2.02 0.00 0.00 58.31 54.55 1nx4 n LYS 226 Cb 0.23 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.74 1nx4 n LYS 226 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1nx4 s GLN 227 N -2.14 4.16 0.54 1.97 -0.21 -1.11 -4.73 119.66 118.13 1nx4 s GLN 227 Ca 0.29 2.52 0.34 0.00 0.02 0.00 0.00 55.36 58.53 1nx4 s GLN 227 Cb 0.20 -3.08 1.51 0.00 1.00 0.00 0.00 33.01 32.64 1nx4 s GLN 227 CO 0.38 -0.66 1.83 -1.35 -2.12 0.00 0.00 175.29 173.37 1nx4 h PRO 228 N 6.12 0.02 -0.73 2.91 0.10 -1.90 0.10 132.00 138.62 1nx4 h PRO 228 Ca -0.44 -0.00 0.11 0.00 0.10 0.00 0.00 66.00 65.76 1nx4 h PRO 228 Cb 1.21 -0.00 -0.05 0.00 0.10 0.00 0.00 31.00 32.26 1nx4 h PRO 228 CO 0.89 0.01 0.48 -0.09 0.10 0.00 0.00 178.00 179.39 1nx4 h ARG 229 N 0.02 0.56 -0.00 1.05 2.43 -1.96 -3.16 114.38 113.31 1nx4 h ARG 229 Ca 0.52 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.66 1nx4 h ARG 229 Cb 2.06 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 31.48 1nx4 h ARG 229 CO -0.02 0.37 -0.56 0.66 -1.51 0.00 0.00 179.97 178.91 1nx4 n TYR 230 N -4.49 0.00 -4.28 2.20 4.02 0.30 -4.78 117.16 110.12 1nx4 n TYR 230 Ca 0.13 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.72 1nx4 n TYR 230 Cb 0.38 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.54 1nx4 n TYR 230 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 1nx4 s TYR 231 N -2.18 2.14 -0.10 -0.72 5.04 -0.81 -0.55 117.35 120.18 1nx4 s TYR 231 Ca 0.07 -1.11 -0.01 0.00 -2.44 0.00 0.00 57.07 53.59 1nx4 s TYR 231 Cb 0.11 -1.55 -0.03 0.00 0.35 0.00 0.00 41.96 40.85 1nx4 s TYR 231 CO 0.52 -0.58 -0.06 -0.47 -1.34 0.00 0.00 175.55 173.62 1nx4 s TYR 232 N 1.19 2.97 -0.18 4.97 5.04 0.04 -4.64 117.35 126.75 1nx4 s TYR 232 Ca -0.01 -0.11 -0.03 0.00 -2.44 0.00 0.00 57.07 54.48 1nx4 s TYR 232 Cb -0.14 -1.80 -0.02 0.00 0.35 0.00 0.00 41.96 40.35 1nx4 s TYR 232 CO -0.06 0.19 -0.07 0.15 -1.34 0.00 0.00 175.55 174.43 1nx4 s LYS 233 N -0.38 3.46 -0.31 4.97 1.02 -1.26 -0.06 119.74 127.17 1nx4 s LYS 233 Ca 0.06 -0.61 -0.06 0.00 0.02 0.00 0.00 55.97 55.37 1nx4 s LYS 233 Cb -0.12 -2.87 0.03 0.00 -0.52 0.00 0.00 37.83 34.34 1nx4 s LYS 233 CO 0.02 0.04 0.08 -1.58 -0.92 0.00 0.00 175.35 172.99 1nx4 s HIS 234 N 0.85 3.20 -0.14 3.18 5.65 0.76 -4.98 115.29 123.80 1nx4 s HIS 234 Ca -0.02 -1.29 -0.18 0.00 0.25 0.00 0.00 55.06 53.82 1nx4 s HIS 234 Cb -0.15 -2.24 -0.04 0.00 -1.18 0.00 0.00 32.58 28.97 1nx4 s HIS 234 CO 0.01 -0.68 0.46 -0.06 -0.65 0.00 0.00 174.74 173.83 1nx4 s PHE 235 N 1.42 3.47 0.18 3.88 0.40 -1.26 -2.10 117.98 123.98 1nx4 s PHE 235 Ca -0.00 0.83 -0.26 0.00 -0.60 0.00 0.00 56.93 56.89 1nx4 s PHE 235 Cb -0.18 -2.55 -0.08 0.00 0.51 0.00 0.00 43.02 40.71 1nx4 s PHE 235 CO 0.02 0.11 0.81 -1.58 0.70 0.00 0.00 175.22 175.29 1nx4 s TRP 236 N 0.83 3.93 0.03 0.36 0.52 -1.26 -5.05 118.94 118.30 1nx4 s TRP 236 Ca 0.24 1.70 0.02 0.00 0.02 0.00 0.00 56.10 58.09 1nx4 s TRP 236 Cb -0.15 -2.82 -0.02 0.00 -1.15 0.00 0.00 33.47 29.33 1nx4 s TRP 236 CO 0.09 0.50 -0.08 -1.21 0.02 0.00 0.00 176.95 176.27 1nx4 s GLU 237 N -1.14 0.56 -0.01 4.98 2.02 -1.26 -4.96 118.70 118.90 1nx4 s GLU 237 Ca 0.37 -0.63 -0.39 0.00 0.02 0.00 0.00 54.97 54.34 1nx4 s GLU 237 Cb -0.24 -0.42 -0.19 0.00 0.10 0.00 0.00 34.13 33.39 1nx4 s GLU 237 CO 0.28 0.09 1.20 -0.25 0.02 0.00 0.00 175.26 176.60 1nx4 n ASP 238 N 1.85 0.65 0.00 -0.19 9.92 -1.26 -0.96 116.55 126.56 1nx4 n ASP 238 Ca -0.20 1.15 0.00 0.00 -0.53 0.00 0.00 54.79 55.21 1nx4 n ASP 238 Cb 0.55 -1.01 0.00 0.00 -0.64 0.00 0.00 41.12 40.02 1nx4 n ASP 238 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1nx4 n GLY 239 N 2.04 1.29 3.76 0.44 0.00 -0.43 -4.62 105.19 107.67 1nx4 n GLY 239 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 1nx4 n GLY 239 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nx4 s ASP 240 N -3.04 7.25 -0.13 1.61 1.01 -0.14 -2.05 116.67 121.19 1nx4 s ASP 240 Ca 0.00 2.24 0.02 0.00 0.71 0.00 0.00 52.55 55.52 1nx4 s ASP 240 Cb 0.00 -2.62 0.01 0.00 1.01 0.00 0.00 42.92 41.32 1nx4 s ASP 240 CO 0.00 -0.15 -0.18 -0.22 0.21 0.00 0.00 175.17 174.83 1nx4 s LEU 241 N -1.51 1.89 -0.19 1.23 2.96 -0.05 -0.80 118.68 122.21 1nx4 s LEU 241 Ca 0.45 -0.51 -0.01 0.00 -0.22 0.00 0.00 54.13 53.84 1nx4 s LEU 241 Cb -0.31 -1.26 0.00 0.00 0.50 0.00 0.00 46.19 45.13 1nx4 s LEU 241 CO 0.40 0.04 -0.13 -0.22 -1.32 0.00 0.00 176.35 175.12 1nx4 s LEU 242 N 0.96 2.51 0.54 -0.68 0.20 -0.05 -1.24 118.68 120.93 1nx4 s LEU 242 Ca -0.06 -0.51 0.02 0.00 0.69 0.00 0.00 54.13 54.27 1nx4 s LEU 242 Cb -0.15 -1.60 0.01 0.00 -0.43 0.00 0.00 46.19 44.02 1nx4 s LEU 242 CO -0.03 0.01 0.12 -0.63 -0.29 0.00 0.00 176.35 175.53 1nx4 s ILE 243 N 1.26 1.16 -0.17 6.68 1.01 -0.44 0.11 121.20 130.80 1nx4 s ILE 243 Ca 0.03 -1.85 -0.01 0.00 0.00 0.00 0.00 60.65 58.82 1nx4 s ILE 243 Cb -0.14 -2.01 0.04 0.00 0.01 0.00 0.00 42.46 40.36 1nx4 s ILE 243 CO -0.06 0.00 -0.05 -0.62 0.00 0.00 0.00 174.94 174.21 1nx4 s ASP 245 N -4.03 2.86 0.07 3.58 -1.08 0.00 -0.51 116.67 117.57 1nx4 s ASP 245 Ca 0.10 -0.69 0.15 0.00 -0.52 0.00 0.00 52.55 51.59 1nx4 s ASP 245 Cb -0.01 -0.90 0.64 0.00 -1.46 0.00 0.00 42.92 41.20 1nx4 s ASP 245 CO 0.06 -0.19 1.47 -3.20 0.52 0.00 0.00 175.17 173.82 1nx4 n ASN 246 N 4.88 0.17 0.00 -0.34 5.15 0.44 -2.05 115.26 123.52 1nx4 n ASN 246 Ca -0.12 0.55 0.11 0.00 -0.60 0.00 0.00 54.58 54.52 1nx4 n ASN 246 Cb 0.48 -0.58 -0.04 0.00 -0.53 0.00 0.00 39.78 39.11 1nx4 n ASN 246 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1nx4 n ARG 247 N -1.69 0.12 -0.04 1.20 3.00 -1.26 -4.42 116.66 113.57 1nx4 n ARG 247 Ca 0.03 -0.02 -0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1nx4 n ARG 247 Cb 0.15 -1.52 -0.10 0.00 0.00 0.00 0.00 32.46 31.00 1nx4 n ARG 247 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1nx4 n ARG 248 N -1.67 1.27 -4.30 5.56 3.00 -0.87 -4.18 116.66 115.47 1nx4 n ARG 248 Ca 0.03 -0.06 -0.16 0.00 -0.00 0.00 0.00 57.85 57.66 1nx4 n ARG 248 Cb 0.38 -1.31 -0.10 0.00 0.00 0.00 0.00 32.46 31.42 1nx4 n ARG 248 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 1nx4 s VAL 249 N -2.58 0.86 0.31 5.15 -7.23 -0.90 -3.97 120.40 112.04 1nx4 s VAL 249 Ca -0.05 -2.01 0.11 0.00 -1.81 0.00 0.00 61.98 58.21 1nx4 s VAL 249 Cb 0.06 -2.32 -0.06 0.00 0.56 0.00 0.00 36.38 34.62 1nx4 s VAL 249 CO 0.52 -0.32 -0.15 0.27 -0.31 0.00 0.00 175.10 175.11 1nx4 s ILE 250 N -3.54 2.42 0.21 -0.62 -4.36 -1.14 -4.67 121.20 109.50 1nx4 s ILE 250 Ca 0.28 -2.30 -0.11 0.00 -0.26 0.00 0.00 60.65 58.26 1nx4 s ILE 250 Cb 0.06 -2.47 -0.00 0.00 1.25 0.00 0.00 42.46 41.30 1nx4 s ILE 250 CO 0.08 -0.31 0.39 -1.38 0.24 0.00 0.00 174.94 173.96 1nx4 s HIS 251 N -2.54 0.38 0.03 1.37 -3.43 0.56 -1.04 115.29 110.61 1nx4 s HIS 251 Ca 0.31 -0.72 -0.11 0.00 -0.80 0.00 0.00 55.06 53.74 1nx4 s HIS 251 Cb -0.02 0.07 0.01 0.00 -1.43 0.00 0.00 32.58 31.21 1nx4 s HIS 251 CO 0.16 -0.86 0.22 -2.00 -2.00 0.00 0.00 174.74 170.26 1nx4 s GLU 252 N -3.99 0.70 -0.18 -0.38 2.12 -0.92 -1.00 118.70 115.04 1nx4 s GLU 252 Ca 0.20 -0.55 -0.01 0.00 0.36 0.00 0.00 54.97 54.97 1nx4 s GLU 252 Cb 0.01 0.30 0.00 0.00 0.26 0.00 0.00 34.13 34.70 1nx4 s GLU 252 CO 0.05 -0.21 -0.13 0.50 -0.54 0.00 0.00 175.26 174.93 1nx4 s ARG 253 N -2.38 3.22 0.43 4.30 3.52 0.34 -0.32 118.95 128.05 1nx4 s ARG 253 Ca -0.06 -0.73 -0.21 0.00 -0.13 0.00 0.00 55.73 54.60 1nx4 s ARG 253 Cb -0.02 -2.73 -0.11 0.00 -1.56 0.00 0.00 34.95 30.53 1nx4 s ARG 253 CO -0.03 -0.09 0.95 -1.21 -0.81 0.00 0.00 175.30 174.11 1nx4 s GLU 254 N 1.11 4.24 0.77 5.12 2.02 -0.01 -0.87 118.70 131.08 1nx4 s GLU 254 Ca 0.00 1.13 -0.15 0.00 0.02 0.00 0.00 54.97 55.97 1nx4 s GLU 254 Cb -0.14 -2.21 0.02 0.00 0.10 0.00 0.00 34.13 31.90 1nx4 s GLU 254 CO -0.04 -0.02 0.87 -0.85 0.02 0.00 0.00 175.26 175.24 1nx4 n GLU 255 N -0.59 0.29 -2.73 1.61 -0.00 -1.26 -3.61 120.64 114.35 1nx4 n GLU 255 Ca 0.07 0.16 -0.05 0.00 -0.00 0.00 0.00 57.16 57.34 1nx4 n GLU 255 Cb 0.54 -2.15 0.05 0.00 -0.00 0.00 0.00 31.44 29.88 1nx4 n GLU 255 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.13 179.10 1nx4 n PHE 256 N -2.79 0.71 -1.34 -1.84 1.16 0.63 -1.23 117.46 112.76 1nx4 n PHE 256 Ca 0.12 -2.40 -0.30 0.00 -1.87 0.00 0.00 57.45 52.99 1nx4 n PHE 256 Cb 0.50 -0.05 -0.07 0.00 -1.61 0.00 0.00 39.48 38.26 1nx4 n PHE 256 CO 0.00 0.00 0.00 -1.71 -1.87 0.00 0.00 176.76 173.18 1nx4 n ASN 257 N -0.41 7.47 -4.10 5.98 4.05 -1.16 -4.72 115.26 122.38 1nx4 n ASN 257 Ca 0.06 -2.69 -0.30 0.00 0.45 0.00 0.00 54.58 52.10 1nx4 n ASN 257 Cb 0.82 -1.46 -0.17 0.00 1.23 0.00 0.00 39.78 40.20 1nx4 n ASN 257 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1nx4 s ASP 258 N 1.70 2.66 0.27 1.20 -1.08 -1.26 -5.04 116.67 115.12 1nx4 s ASP 258 Ca 0.66 -0.49 0.24 0.00 -0.52 0.00 0.00 52.55 52.44 1nx4 s ASP 258 Cb 0.24 -1.21 0.99 0.00 -1.46 0.00 0.00 42.92 41.48 1nx4 s ASP 258 CO -0.06 0.04 1.72 0.47 0.52 0.00 0.00 175.17 177.86 1nx4 n ASP 259 N 4.14 0.69 0.10 -0.34 8.00 -1.26 -2.35 116.55 125.53 1nx4 n ASP 259 Ca -0.19 0.67 0.13 0.00 0.71 0.00 0.00 54.79 56.11 1nx4 n ASP 259 Cb 0.51 -0.82 0.43 0.00 -0.02 0.00 0.00 41.12 41.22 1nx4 n ASP 259 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1nx4 n ASP 260 N -2.26 0.76 -4.72 -2.24 8.00 -1.26 -4.86 116.55 109.98 1nx4 n ASP 260 Ca 0.02 0.59 -0.42 0.00 0.71 0.00 0.00 54.79 55.69 1nx4 n ASP 260 Cb 0.23 -0.79 -0.03 0.00 -0.02 0.00 0.00 41.12 40.51 1nx4 n ASP 260 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1nx4 s ILE 261 N -3.13 4.51 -0.24 0.53 1.01 -0.99 -4.68 121.20 118.21 1nx4 s ILE 261 Ca 0.10 1.85 -0.06 0.00 0.00 0.00 0.00 60.65 62.54 1nx4 s ILE 261 Cb 0.12 -4.19 -0.02 0.00 0.01 0.00 0.00 42.46 38.38 1nx4 s ILE 261 CO 0.56 0.17 0.04 -0.69 0.00 0.00 0.00 174.94 175.03 1nx4 s VAL 262 N 0.81 4.10 -0.26 2.92 1.01 -0.80 -4.99 120.40 123.19 1nx4 s VAL 262 Ca 0.53 -0.25 -0.02 0.00 0.00 0.00 0.00 61.98 62.24 1nx4 s VAL 262 Cb -0.24 -2.90 0.08 0.00 0.00 0.00 0.00 36.38 33.32 1nx4 s VAL 262 CO 0.29 0.37 0.08 -0.60 0.00 0.00 0.00 175.10 175.24 1nx4 s ARG 263 N 1.47 0.61 -0.21 2.72 3.52 -1.25 -1.76 118.95 124.05 1nx4 s ARG 263 Ca 0.05 -0.74 0.01 0.00 -0.13 0.00 0.00 55.73 54.93 1nx4 s ARG 263 Cb -0.15 -1.90 0.05 0.00 -1.56 0.00 0.00 34.95 31.39 1nx4 s ARG 263 CO 0.02 -0.86 -0.09 1.03 -0.81 0.00 0.00 175.30 174.59 1nx4 s ARG 264 N 1.79 1.93 0.06 5.12 0.52 -0.21 -3.86 118.95 124.28 1nx4 s ARG 264 Ca 0.05 -0.90 0.08 0.00 -0.52 0.00 0.00 55.73 54.45 1nx4 s ARG 264 Cb -0.17 -2.47 -0.03 0.00 0.52 0.00 0.00 34.95 32.80 1nx4 s ARG 264 CO -0.20 -0.48 -0.20 -0.51 0.02 0.00 0.00 175.30 173.93 1nx4 s LEU 265 N 1.39 2.51 0.04 2.53 1.43 0.59 -1.66 118.68 125.50 1nx4 s LEU 265 Ca -0.03 -0.49 -0.13 0.00 -1.03 0.00 0.00 54.13 52.45 1nx4 s LEU 265 Cb -0.17 -1.46 -0.06 0.00 0.03 0.00 0.00 46.19 44.54 1nx4 s LEU 265 CO -0.07 0.24 0.41 -0.31 0.23 0.00 0.00 176.35 176.84 1nx4 s TYR 266 N -0.93 3.66 -0.06 0.29 4.12 0.85 -1.99 117.35 123.29 1nx4 s TYR 266 Ca 0.14 0.91 0.03 0.00 0.02 0.00 0.00 57.07 58.17 1nx4 s TYR 266 Cb -0.10 -2.23 0.00 0.00 -1.52 0.00 0.00 41.96 38.11 1nx4 s TYR 266 CO 0.05 0.58 -0.16 0.50 0.02 0.00 0.00 175.55 176.55 1nx4 s ARG 267 N -1.46 1.90 0.06 -0.62 3.00 0.26 -1.12 118.95 120.96 1nx4 s ARG 267 Ca 0.28 -0.56 0.05 0.00 -1.00 0.00 0.00 55.73 54.50 1nx4 s ARG 267 Cb -0.15 -1.57 -0.03 0.00 0.00 0.00 0.00 34.95 33.20 1nx4 s ARG 267 CO 0.15 0.14 -0.14 0.20 0.00 0.00 0.00 175.30 175.65 1nx4 s GLY 268 N 0.34 0.84 -0.02 8.12 0.00 -0.49 -1.01 107.32 115.10 1nx4 s GLY 268 Ca -0.10 -0.94 0.00 0.00 0.00 0.00 0.00 44.72 43.68 1nx4 s GLY 268 CO 0.04 -0.95 0.00 1.20 0.00 0.00 0.00 173.10 173.39 1nx4 s GLN 269 N -1.54 0.21 0.19 2.90 -0.21 -1.26 -0.24 119.66 119.72 1nx4 s GLN 269 Ca -0.01 0.08 0.04 0.00 0.02 0.00 0.00 55.36 55.49 1nx4 s GLN 269 Cb -0.09 -0.39 -0.05 0.00 1.00 0.00 0.00 33.01 33.47 1nx4 s GLN 269 CO 0.02 -0.12 -0.04 0.95 -2.12 0.00 0.00 175.29 173.98 1nx4 s THR 270 N 0.91 1.03 0.12 -0.19 -4.23 -0.26 -0.53 115.64 112.50 1nx4 s THR 270 Ca -0.09 -2.04 -0.24 0.00 -1.18 0.00 0.00 61.69 58.14 1nx4 s THR 270 Cb -0.12 -2.12 0.07 0.00 1.34 0.00 0.00 72.50 71.66 1nx4 s THR 270 CO -0.02 -0.51 0.61 0.00 -0.54 0.00 0.00 174.62 174.17 1nx4 s ALA 271 N -3.42 -1.62 0.00 3.99 0.00 -0.62 -0.23 121.76 119.86 1nx4 s ALA 271 Ca 0.23 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.83 1nx4 s ALA 271 Cb 0.05 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.89 1nx4 s ALA 271 CO 0.05 -0.70 0.45 -0.25 0.00 0.00 0.00 175.76 175.31