#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a41 s LYS 2 N 0.00 4.14 0.04 1.96 1.02 -1.26 -0.76 119.74 124.88 2a41 s LYS 2 Ca 0.00 0.12 0.08 0.00 0.02 0.00 0.00 55.97 56.19 2a41 s LYS 2 Cb 0.00 -3.56 -0.03 0.00 -0.52 0.00 0.00 37.83 33.73 2a41 s LYS 2 CO 0.00 -0.07 -0.23 0.42 -0.92 0.00 0.00 175.35 174.55 2a41 s ILE 3 N 1.41 1.88 0.10 2.17 1.01 -0.44 -1.29 121.20 126.03 2a41 s ILE 3 Ca 0.17 -1.26 -0.11 0.00 0.00 0.00 0.00 60.65 59.45 2a41 s ILE 3 Cb -0.15 -1.61 0.01 0.00 0.01 0.00 0.00 42.46 40.72 2a41 s ILE 3 CO 0.08 0.30 0.25 0.00 0.00 0.00 0.00 174.94 175.57 2a41 s ALA 4 N -0.78 -0.43 -0.02 9.38 0.00 -0.70 -1.20 121.76 128.02 2a41 s ALA 4 Ca 0.09 -0.45 0.01 0.00 0.00 0.00 0.00 51.96 51.62 2a41 s ALA 4 Cb -0.09 0.54 0.01 0.00 0.00 0.00 0.00 23.12 23.57 2a41 s ALA 4 CO 0.02 -0.54 -0.04 0.00 0.00 0.00 0.00 175.76 175.19 2a41 s ALA 5 N -3.81 0.50 -0.23 0.00 0.00 -0.25 -0.70 121.76 117.27 2a41 s ALA 5 Ca 0.04 -0.10 -0.03 0.00 0.00 0.00 0.00 51.96 51.87 2a41 s ALA 5 Cb 0.04 -0.25 0.13 0.00 0.00 0.00 0.00 23.12 23.03 2a41 s ALA 5 CO -0.11 0.04 0.36 0.12 0.00 0.00 0.00 175.76 176.17 2a41 s PHE 6 N 0.42 -0.76 -0.44 0.00 5.36 0.46 -1.09 117.98 121.93 2a41 s PHE 6 Ca -0.05 0.81 -0.26 0.00 -0.96 0.00 0.00 56.93 56.48 2a41 s PHE 6 Cb -0.08 -0.00 0.02 0.00 -0.34 0.00 0.00 43.02 42.62 2a41 s PHE 6 CO -0.00 -0.69 0.96 1.21 -1.46 0.00 0.00 175.22 175.23 2a41 s ASN 7 N 2.53 6.56 -0.47 6.13 3.84 -1.26 -1.25 114.94 131.01 2a41 s ASN 7 Ca 0.11 0.29 -0.15 0.00 0.21 0.00 0.00 52.86 53.32 2a41 s ASN 7 Cb -0.15 -2.47 0.08 0.00 -0.55 0.00 0.00 41.25 38.16 2a41 s ASN 7 CO -0.15 -1.03 0.39 -0.63 -2.79 0.00 0.00 177.10 172.89 2a41 s ILE 8 N 3.78 5.08 -0.44 -5.21 1.01 -1.08 -4.14 121.20 120.20 2a41 s ILE 8 Ca 0.39 -1.18 -0.46 0.00 0.00 0.00 0.00 60.65 59.40 2a41 s ILE 8 Cb -0.10 -4.08 -0.19 0.00 0.01 0.00 0.00 42.46 38.10 2a41 s ILE 8 CO 0.25 -0.61 1.60 -1.14 0.00 0.00 0.00 174.94 175.04 2a41 n ARG 9 N 5.17 0.19 -4.06 2.79 0.63 -1.26 -1.05 116.66 119.07 2a41 n ARG 9 Ca -0.12 0.07 -0.35 0.00 -0.92 0.00 0.00 57.85 56.53 2a41 n ARG 9 Cb 0.43 -1.60 -0.03 0.00 0.45 0.00 0.00 32.46 31.71 2a41 n ARG 9 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2a41 n THR 10 N 3.99 -1.60 -1.66 5.15 -2.24 -1.24 -4.80 114.28 111.88 2a41 n THR 10 Ca 0.30 -0.47 -0.43 0.00 -2.27 0.00 0.00 64.05 61.18 2a41 n THR 10 Cb -0.02 -1.42 -0.03 0.00 -2.10 0.00 0.00 70.33 66.76 2a41 n THR 10 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2a41 n PHE 11 N -4.33 2.51 -3.60 4.78 -0.00 -0.21 -4.73 117.46 111.88 2a41 n PHE 11 Ca -0.18 -0.35 -0.02 0.00 -0.00 0.00 0.00 57.45 56.90 2a41 n PHE 11 Cb 0.54 -2.79 0.01 0.00 -0.00 0.00 0.00 39.48 37.24 2a41 n PHE 11 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2a41 n GLY 12 N 4.53 1.09 0.16 7.13 0.00 -1.26 -0.22 105.19 116.62 2a41 n GLY 12 Ca 0.20 -1.07 -0.06 0.00 0.00 0.00 0.00 46.02 45.09 2a41 n GLY 12 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2a41 h GLU 13 N 0.00 0.28 -0.60 1.61 5.08 -1.90 -2.10 114.58 116.94 2a41 h GLU 13 Ca -0.15 -0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.30 2a41 h GLU 13 Cb 0.62 -0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.73 2a41 h GLU 13 CO 0.20 0.19 0.19 1.15 -1.00 0.00 0.00 179.01 179.74 2a41 h THR 14 N 0.29 0.72 0.23 1.13 2.02 -1.95 -1.34 112.91 114.02 2a41 h THR 14 Ca 0.16 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 2a41 h THR 14 Cb 0.12 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 2a41 h THR 14 CO -0.15 0.06 -0.11 0.50 0.37 0.00 0.00 175.52 176.19 2a41 h LYS 15 N 0.35 -0.30 0.00 6.66 1.63 -1.75 -2.94 116.57 120.21 2a41 h LYS 15 Ca 0.31 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.13 2a41 h LYS 15 Cb 0.42 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.12 2a41 h LYS 15 CO -0.34 -0.00 0.00 -1.33 -3.45 0.00 0.00 179.45 174.32 2a41 n MET 16 N -5.10 0.38 0.02 1.90 2.81 -0.84 -1.89 117.12 114.41 2a41 n MET 16 Ca -0.09 0.07 0.12 0.00 -1.81 0.00 0.00 57.70 55.98 2a41 n MET 16 Cb 0.23 -1.50 0.17 0.00 -0.71 0.00 0.00 33.22 31.41 2a41 n MET 16 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2a41 n SER 17 N -1.14 0.60 -4.50 7.83 7.64 -0.52 -4.73 113.62 118.80 2a41 n SER 17 Ca 0.10 -0.14 -0.43 0.00 1.01 0.00 0.00 58.87 59.41 2a41 n SER 17 Cb 0.09 0.35 -0.06 0.00 -1.01 0.00 0.00 64.21 63.59 2a41 n SER 17 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2a41 s ASN 18 N -3.58 6.32 0.21 6.43 3.84 -0.79 -4.95 114.94 122.41 2a41 s ASN 18 Ca 0.08 -0.46 -0.09 0.00 0.21 0.00 0.00 52.86 52.60 2a41 s ASN 18 Cb 0.15 -2.35 0.32 0.00 -0.55 0.00 0.00 41.25 38.82 2a41 s ASN 18 CO 0.73 -0.95 1.70 0.00 -2.79 0.00 0.00 177.10 175.79 2a41 h ALA 19 N 9.04 0.74 0.15 1.71 0.00 -1.85 -0.63 119.26 128.42 2a41 h ALA 19 Ca -0.26 0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.79 2a41 h ALA 19 Cb 1.09 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 2a41 h ALA 19 CO 0.98 -0.31 -0.17 1.15 0.00 0.00 0.00 179.25 180.89 2a41 h THR 20 N 0.26 0.62 -0.31 0.00 2.02 -1.94 0.19 112.91 113.74 2a41 h THR 20 Ca 0.33 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.38 2a41 h THR 20 Cb 0.50 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 2a41 h THR 20 CO -0.42 0.00 -0.34 -0.07 0.37 0.00 0.00 175.52 175.06 2a41 h LEU 21 N -0.36 0.73 -0.70 2.58 3.38 -1.77 -0.72 115.31 118.45 2a41 h LEU 21 Ca 0.01 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.71 2a41 h LEU 21 Cb 0.35 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 2a41 h LEU 21 CO -0.06 1.01 0.43 0.00 0.09 0.00 0.00 178.44 179.91 2a41 h ALA 22 N 1.03 0.93 -0.54 1.53 0.00 -1.08 -1.09 119.26 120.04 2a41 h ALA 22 Ca 0.06 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.02 2a41 h ALA 22 Cb 0.86 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 2a41 h ALA 22 CO 0.07 0.18 0.24 1.03 0.00 0.00 0.00 179.25 180.78 2a41 h SER 23 N 0.83 0.30 0.35 0.00 0.87 0.54 0.64 113.55 117.09 2a41 h SER 23 Ca 0.29 0.05 -0.16 0.00 -1.23 0.00 0.00 61.79 60.74 2a41 h SER 23 Cb 0.06 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 2a41 h SER 23 CO -0.13 0.20 -0.67 1.88 -0.53 0.00 0.00 176.83 177.59 2a41 h TYR 24 N 0.45 0.38 -0.41 2.24 0.05 -1.09 -2.04 116.97 116.55 2a41 h TYR 24 Ca 0.25 -0.16 -0.12 0.00 0.05 0.00 0.00 58.73 58.75 2a41 h TYR 24 Cb 0.22 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 37.89 2a41 h TYR 24 CO -0.13 0.87 -0.23 0.82 -1.05 0.00 0.00 178.16 178.44 2a41 h ILE 25 N 0.20 1.27 0.19 -2.88 2.04 0.08 -1.31 117.51 117.10 2a41 h ILE 25 Ca -0.02 -1.37 -0.01 0.00 1.00 0.00 0.00 64.86 64.47 2a41 h ILE 25 Cb 1.21 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 38.49 2a41 h ILE 25 CO 0.11 0.46 -0.09 0.58 0.00 0.00 0.00 178.15 179.21 2a41 h VAL 26 N 0.73 0.92 -0.76 1.67 2.07 -0.79 0.35 116.25 120.44 2a41 h VAL 26 Ca 0.10 -0.58 0.13 0.00 0.82 0.00 0.00 66.70 67.17 2a41 h VAL 26 Cb 0.77 1.26 -0.09 0.00 -1.52 0.00 0.00 31.29 31.71 2a41 h VAL 26 CO 0.06 0.13 0.33 -0.09 0.02 0.00 0.00 177.57 178.02 2a41 h ARG 27 N -0.54 0.47 0.29 1.57 2.43 -1.32 0.24 114.38 117.53 2a41 h ARG 27 Ca -0.03 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 2a41 h ARG 27 Cb 0.41 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2a41 h ARG 27 CO 0.04 0.31 -0.14 0.82 -1.51 0.00 0.00 179.97 179.50 2a41 h ILE 28 N 0.49 0.75 -0.99 1.20 2.04 -0.93 -2.68 117.51 117.40 2a41 h ILE 28 Ca 0.41 -0.38 0.19 0.00 1.00 0.00 0.00 64.86 66.08 2a41 h ILE 28 Cb 0.59 0.96 -0.10 0.00 -0.74 0.00 0.00 36.82 37.53 2a41 h ILE 28 CO -0.38 0.08 0.61 0.58 0.00 0.00 0.00 178.15 179.05 2a41 h VAL 29 N -0.59 0.71 0.00 1.67 2.07 -0.48 -1.58 116.25 118.05 2a41 h VAL 29 Ca -0.04 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.24 2a41 h VAL 29 Cb 0.43 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 2a41 h VAL 29 CO 0.07 0.13 0.00 0.54 0.02 0.00 0.00 177.57 178.32 2a41 n ARG 30 N -4.70 0.13 0.25 1.57 1.74 0.80 -1.29 116.66 115.16 2a41 n ARG 30 Ca 0.22 0.55 0.16 0.00 -0.77 0.00 0.00 57.85 58.01 2a41 n ARG 30 Cb 0.59 -1.85 0.64 0.00 -1.02 0.00 0.00 32.46 30.82 2a41 n ARG 30 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2a41 h ARG 31 N 0.00 0.00 -6.59 5.56 3.08 -1.28 -3.46 114.38 111.69 2a41 h ARG 31 Ca 0.00 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.39 2a41 h ARG 31 Cb 0.10 0.00 -0.26 0.00 0.08 0.00 0.00 29.97 29.90 2a41 h ARG 31 CO 0.00 0.00 -0.87 0.71 -1.07 0.00 0.00 179.97 178.74 2a41 s TYR 32 N -3.59 2.18 0.11 3.04 2.02 -0.41 -4.86 117.35 115.84 2a41 s TYR 32 Ca 0.02 -0.40 0.05 0.00 -0.37 0.00 0.00 57.07 56.37 2a41 s TYR 32 Cb 0.09 -1.29 -0.22 0.00 -0.40 0.00 0.00 41.96 40.14 2a41 s TYR 32 CO 0.51 0.15 1.24 -0.44 -1.57 0.00 0.00 175.55 175.45 2a41 h ASP 33 N 4.66 0.08 -3.56 2.29 3.45 -1.50 -3.44 116.42 118.39 2a41 h ASP 33 Ca -0.46 -0.09 -0.30 0.00 0.43 0.00 0.00 57.03 56.62 2a41 h ASP 33 Cb 1.15 -0.03 -0.33 0.00 -0.56 0.00 0.00 39.33 39.57 2a41 h ASP 33 CO 0.43 1.07 -0.73 -0.63 -1.57 0.00 0.00 179.24 177.80 2a41 s ILE 34 N -2.70 0.01 -0.01 0.35 1.01 -1.02 -1.57 121.20 117.26 2a41 s ILE 34 Ca -0.00 0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.79 2a41 s ILE 34 Cb 0.09 -0.11 0.02 0.00 0.01 0.00 0.00 42.46 42.47 2a41 s ILE 34 CO 0.83 0.08 0.01 0.54 0.00 0.00 0.00 174.94 176.41 2a41 s VAL 35 N 0.84 0.03 -0.35 2.92 0.11 0.06 -1.72 120.40 122.29 2a41 s VAL 35 Ca -0.07 0.10 -0.14 0.00 -2.93 0.00 0.00 61.98 58.93 2a41 s VAL 35 Cb -0.10 -0.11 -0.01 0.00 -1.53 0.00 0.00 36.38 34.63 2a41 s VAL 35 CO -0.02 0.07 0.32 -0.22 -3.33 0.00 0.00 175.10 171.92 2a41 s LEU 36 N 0.66 4.55 -0.18 2.54 0.20 0.12 -0.86 118.68 125.71 2a41 s LEU 36 Ca -0.06 -0.38 -0.08 0.00 0.69 0.00 0.00 54.13 54.30 2a41 s LEU 36 Cb -0.08 -2.25 -0.04 0.00 -0.43 0.00 0.00 46.19 43.38 2a41 s LEU 36 CO -0.02 -0.32 0.09 -0.63 -0.29 0.00 0.00 176.35 175.18 2a41 s ILE 37 N 1.89 5.06 0.44 6.68 1.01 0.16 -0.41 121.20 136.03 2a41 s ILE 37 Ca 0.09 0.06 0.06 0.00 0.00 0.00 0.00 60.65 60.86 2a41 s ILE 37 Cb -0.17 -3.27 -0.05 0.00 0.01 0.00 0.00 42.46 38.97 2a41 s ILE 37 CO 0.11 0.48 0.09 -1.10 0.00 0.00 0.00 174.94 174.52 2a41 s GLN 38 N 0.13 2.11 -1.39 2.79 -0.21 -0.38 -1.60 119.66 121.10 2a41 s GLN 38 Ca 0.07 -2.07 -0.07 0.00 0.02 0.00 0.00 55.36 53.30 2a41 s GLN 38 Cb -0.12 -1.76 0.01 0.00 1.00 0.00 0.00 33.01 32.14 2a41 s GLN 38 CO -0.00 -0.16 0.97 -1.91 -2.12 0.00 0.00 175.29 172.06 2a41 n GLU 39 N -1.16 -6.77 -2.47 2.91 2.13 -1.26 -2.62 120.64 111.41 2a41 n GLU 39 Ca -0.06 0.83 -0.42 0.00 0.66 0.00 0.00 57.16 58.17 2a41 n GLU 39 Cb 0.66 -5.76 -0.02 0.00 0.27 0.00 0.00 31.44 26.59 2a41 n GLU 39 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2a41 s VAL 40 N -3.26 3.94 -0.88 6.31 1.01 -1.21 -1.78 120.40 124.52 2a41 s VAL 40 Ca 0.48 0.87 -0.05 0.00 0.00 0.00 0.00 61.98 63.28 2a41 s VAL 40 Cb -0.21 -4.51 0.22 0.00 0.00 0.00 0.00 36.38 31.88 2a41 s VAL 40 CO 0.59 -1.13 0.79 -0.13 0.00 0.00 0.00 175.10 175.22 2a41 s ARG 41 N 5.09 3.38 -0.41 2.72 0.52 0.70 -1.45 118.95 129.50 2a41 s ARG 41 Ca 0.51 -3.04 0.04 0.00 -0.52 0.00 0.00 55.73 52.72 2a41 s ARG 41 Cb -0.10 -4.10 0.17 0.00 0.52 0.00 0.00 34.95 31.44 2a41 s ARG 41 CO 0.28 -1.25 0.38 0.34 0.02 0.00 0.00 175.30 175.07 2a41 s ASP 42 N 0.58 1.20 0.37 0.23 2.15 -1.26 -4.26 116.67 115.69 2a41 s ASP 42 Ca 0.25 -2.67 0.09 0.00 0.43 0.00 0.00 52.55 50.65 2a41 s ASP 42 Cb -0.10 -0.04 0.84 0.00 -0.30 0.00 0.00 42.92 43.31 2a41 s ASP 42 CO -0.09 -0.18 1.92 0.77 -0.17 0.00 0.00 175.17 177.42 2a41 h SER 43 N 5.84 0.60 -0.10 -0.34 4.64 -1.96 -2.30 113.55 119.91 2a41 h SER 43 Ca 0.20 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 2a41 h SER 43 Cb 0.96 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 2a41 h SER 43 CO 0.30 0.34 0.00 1.41 -0.87 0.00 0.00 176.83 178.01 2a41 n HIS 44 N -4.51 0.31 -1.73 4.77 8.25 -1.26 -4.98 115.22 116.08 2a41 n HIS 44 Ca 0.14 -0.87 -0.16 0.00 -0.26 0.00 0.00 57.72 56.56 2a41 n HIS 44 Cb 0.37 -0.18 -0.05 0.00 1.12 0.00 0.00 29.99 31.25 2a41 n HIS 44 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2a41 n LEU 45 N -0.93 -1.33 -0.05 2.41 4.77 -0.87 -4.91 117.00 116.09 2a41 n LEU 45 Ca 0.15 0.26 -0.14 0.00 -0.03 0.00 0.00 56.01 56.26 2a41 n LEU 45 Cb 0.66 -2.30 -0.08 0.00 -2.33 0.00 0.00 43.42 39.38 2a41 n LEU 45 CO 0.06 -0.61 0.56 0.58 -1.33 0.00 0.00 177.39 176.65 2a41 h VAL 46 N 0.00 1.37 -0.48 4.08 2.07 -1.94 -2.07 116.25 119.28 2a41 h VAL 46 Ca -0.34 -1.42 -0.02 0.00 0.82 0.00 0.00 66.70 65.75 2a41 h VAL 46 Cb 1.10 1.98 -0.02 0.00 -1.52 0.00 0.00 31.29 32.84 2a41 h VAL 46 CO 0.46 0.41 0.22 0.00 0.02 0.00 0.00 177.57 178.69 2a41 h ALA 47 N 0.56 0.61 -0.78 1.67 0.00 -1.91 -0.41 119.26 119.01 2a41 h ALA 47 Ca 0.01 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 54.90 2a41 h ALA 47 Cb 0.75 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.28 2a41 h ALA 47 CO 0.04 0.19 0.41 0.28 0.00 0.00 0.00 179.25 180.17 2a41 h VAL 48 N 0.63 0.84 -0.78 0.00 2.07 -1.94 -1.99 116.25 115.07 2a41 h VAL 48 Ca 0.16 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 2a41 h VAL 48 Cb 0.14 0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 29.99 2a41 h VAL 48 CO -0.02 0.12 0.48 1.23 0.02 0.00 0.00 177.57 179.40 2a41 h GLY 49 N 0.66 1.13 0.78 2.17 0.00 -0.82 -1.93 103.07 105.07 2a41 h GLY 49 Ca 0.39 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 2a41 h GLY 49 CO -0.28 0.45 -0.05 0.50 0.00 0.00 0.00 176.54 177.16 2a41 h LYS 50 N 1.07 -0.13 -0.23 4.80 1.57 -0.43 0.90 116.57 124.11 2a41 h LYS 50 Ca 0.28 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 59.13 2a41 h LYS 50 Cb -0.05 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.23 2a41 h LYS 50 CO -0.05 0.11 -0.15 1.25 -0.57 0.00 0.00 179.45 180.03 2a41 h LEU 51 N -0.35 -0.49 -1.03 2.94 5.85 -1.36 -0.32 115.31 120.54 2a41 h LEU 51 Ca -0.01 0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.83 2a41 h LEU 51 Cb 0.29 0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 2a41 h LEU 51 CO 0.02 -0.19 0.65 -0.07 -0.34 0.00 0.00 178.44 178.52 2a41 h LEU 52 N -0.14 1.13 -0.88 2.25 3.38 -1.25 0.16 115.31 119.96 2a41 h LEU 52 Ca 0.13 -0.03 0.16 0.00 0.09 0.00 0.00 57.88 58.23 2a41 h LEU 52 Cb 0.33 -0.28 -0.10 0.00 0.09 0.00 0.00 40.66 40.71 2a41 h LEU 52 CO -0.32 0.81 0.47 0.44 0.09 0.00 0.00 178.44 179.93 2a41 h ASP 53 N 1.33 0.56 -0.04 -0.43 3.32 0.68 -0.56 116.42 121.28 2a41 h ASP 53 Ca 0.37 0.10 -0.06 0.00 0.02 0.00 0.00 57.03 57.45 2a41 h ASP 53 Cb -0.13 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.42 2a41 h ASP 53 CO -0.08 0.22 -0.21 1.88 -1.72 0.00 0.00 179.24 179.33 2a41 h TYR 54 N 0.64 0.29 -0.01 4.55 0.05 0.42 -2.01 116.97 120.91 2a41 h TYR 54 Ca 0.49 -0.13 0.00 0.00 0.05 0.00 0.00 58.73 59.14 2a41 h TYR 54 Cb 0.71 -0.05 -0.00 0.00 1.01 0.00 0.00 36.73 38.41 2a41 h TYR 54 CO -0.08 0.85 0.01 -0.07 -1.05 0.00 0.00 178.16 177.81 2a41 h LEU 55 N -0.34 0.00 -2.55 3.88 3.38 -0.40 -2.97 115.31 116.31 2a41 h LEU 55 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2a41 h LEU 55 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2a41 h LEU 55 CO 0.04 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.16 2a41 n ASN 56 N -4.01 2.09 0.34 -0.43 3.02 -0.25 -4.57 115.26 111.45 2a41 n ASN 56 Ca -0.03 -1.81 0.18 0.00 -0.03 0.00 0.00 54.58 52.89 2a41 n ASN 56 Cb 0.09 -0.06 0.96 0.00 -0.61 0.00 0.00 39.78 40.16 2a41 n ASN 56 CO 0.00 0.00 0.00 0.06 -2.62 0.00 0.00 177.26 174.70 2a41 h GLN 57 N 0.71 0.00 0.00 3.52 3.07 -1.19 -3.23 115.11 117.99 2a41 h GLN 57 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2a41 h GLN 57 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.04 2a41 h GLN 57 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 178.83 178.67 2a41 n ASP 58 N -2.96 0.00 -4.59 0.06 8.00 -1.26 -4.92 116.55 110.88 2a41 n ASP 58 Ca -0.02 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.08 2a41 n ASP 58 Cb 0.27 -0.41 -0.08 0.00 -0.02 0.00 0.00 41.12 40.88 2a41 n ASP 58 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2a41 s ASP 59 N -3.53 6.31 0.32 -2.24 -1.08 -1.23 -4.94 116.67 110.28 2a41 s ASP 59 Ca 0.00 0.24 0.24 0.00 -0.52 0.00 0.00 52.55 52.51 2a41 s ASP 59 Cb 0.00 -2.24 1.16 0.00 -1.46 0.00 0.00 42.92 40.37 2a41 s ASP 59 CO 0.00 -0.30 1.72 1.55 0.52 0.00 0.00 175.17 178.66 2a41 h PRO 60 N 8.22 0.00 -0.37 4.34 0.13 -1.91 -2.40 132.00 140.00 2a41 h PRO 60 Ca -0.30 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.64 2a41 h PRO 60 Cb 1.15 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.16 2a41 h PRO 60 CO 0.70 0.00 -0.08 0.09 -0.23 0.00 0.00 178.00 178.48 2a41 n ASN 61 N -2.31 2.52 0.19 1.44 3.02 -1.26 -4.66 115.26 114.20 2a41 n ASN 61 Ca -0.00 -3.80 -0.14 0.00 -0.03 0.00 0.00 54.58 50.60 2a41 n ASN 61 Cb 0.12 -0.64 -0.08 0.00 -0.61 0.00 0.00 39.78 38.56 2a41 n ASN 61 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 2a41 h THR 62 N 1.02 0.68 -4.19 3.41 2.02 -1.70 -3.40 112.91 110.74 2a41 h THR 62 Ca 0.24 -0.27 -0.59 0.00 0.77 0.00 0.00 66.41 66.56 2a41 h THR 62 Cb 1.67 0.82 -0.30 0.00 -1.74 0.00 0.00 68.15 68.60 2a41 h THR 62 CO 0.42 0.06 -0.85 -0.31 0.37 0.00 0.00 175.52 175.20 2a41 s TYR 63 N -5.49 1.80 0.52 3.16 1.51 -1.26 -4.11 117.35 113.48 2a41 s TYR 63 Ca -0.15 -0.42 0.07 0.00 -1.01 0.00 0.00 57.07 55.56 2a41 s TYR 63 Cb 0.03 -1.18 0.03 0.00 -0.11 0.00 0.00 41.96 40.74 2a41 s TYR 63 CO 0.60 -0.09 0.49 -1.01 -1.11 0.00 0.00 175.55 174.43 2a41 s HIS 64 N -0.26 1.85 0.04 2.71 3.76 0.12 -4.91 115.29 118.60 2a41 s HIS 64 Ca 0.03 -0.73 0.01 0.00 -0.15 0.00 0.00 55.06 54.22 2a41 s HIS 64 Cb -0.09 -2.05 -0.03 0.00 1.11 0.00 0.00 32.58 31.52 2a41 s HIS 64 CO 0.01 -0.54 -0.05 1.52 -0.85 0.00 0.00 174.74 174.82 2a41 s TYR 65 N -2.67 0.54 -0.09 1.40 1.13 -1.26 -1.97 117.35 114.43 2a41 s TYR 65 Ca 0.44 -0.68 0.01 0.00 -1.41 0.00 0.00 57.07 55.43 2a41 s TYR 65 Cb -0.03 -0.35 0.02 0.00 -1.10 0.00 0.00 41.96 40.50 2a41 s TYR 65 CO 0.27 -0.18 -0.09 0.08 -2.51 0.00 0.00 175.55 173.12 2a41 s VAL 66 N -2.21 1.02 0.02 -3.49 1.01 0.12 -4.99 120.40 111.87 2a41 s VAL 66 Ca -0.06 -0.34 0.04 0.00 0.00 0.00 0.00 61.98 61.62 2a41 s VAL 66 Cb -0.04 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.33 2a41 s VAL 66 CO -0.03 0.35 -0.12 0.54 0.00 0.00 0.00 175.10 175.84 2a41 s VAL 67 N 1.25 0.96 0.43 2.92 0.11 -1.26 -0.52 120.40 124.28 2a41 s VAL 67 Ca -0.04 -0.76 0.03 0.00 -2.93 0.00 0.00 61.98 58.28 2a41 s VAL 67 Cb -0.14 -0.85 0.00 0.00 -1.53 0.00 0.00 36.38 33.87 2a41 s VAL 67 CO -0.03 0.09 0.61 -0.94 -3.33 0.00 0.00 175.10 171.50 2a41 s SER 68 N -0.77 5.75 1.04 3.54 1.04 -0.86 -5.02 113.70 118.42 2a41 s SER 68 Ca 0.02 -0.01 -0.12 0.00 0.48 0.00 0.00 55.95 56.32 2a41 s SER 68 Cb -0.06 -1.20 0.21 0.00 0.10 0.00 0.00 66.02 65.07 2a41 s SER 68 CO 0.00 -0.71 1.07 -1.61 0.98 0.00 0.00 173.24 172.98 2a41 s GLU 69 N -4.45 0.08 0.30 4.02 0.41 -1.26 -4.66 118.70 113.14 2a41 s GLU 69 Ca 0.50 0.68 -0.30 0.00 -0.41 0.00 0.00 54.97 55.44 2a41 s GLU 69 Cb -0.10 -1.68 -0.11 0.00 -1.78 0.00 0.00 34.13 30.45 2a41 s GLU 69 CO 0.35 -3.01 1.60 -2.14 -0.49 0.00 0.00 175.26 171.57 2a41 s PRO 70 N -4.79 4.11 0.01 0.39 0.02 -1.26 -4.44 135.00 129.04 2a41 s PRO 70 Ca 0.66 2.60 0.01 0.00 0.02 0.00 0.00 61.00 64.29 2a41 s PRO 70 Cb -0.21 -3.01 -0.01 0.00 0.02 0.00 0.00 34.50 31.29 2a41 s PRO 70 CO 0.60 -0.65 -0.03 -0.51 -0.33 0.00 0.00 177.00 176.09 2a41 s LEU 71 N -0.57 2.07 0.00 -5.54 1.02 0.17 -4.83 118.68 111.00 2a41 s LEU 71 Ca 0.63 -0.17 0.00 0.00 0.02 0.00 0.00 54.13 54.61 2a41 s LEU 71 Cb -0.48 -0.06 0.00 0.00 0.02 0.00 0.00 46.19 45.67 2a41 s LEU 71 CO 0.49 -0.06 0.00 0.61 0.02 0.00 0.00 176.35 177.41 2a41 n GLY 72 N 2.62 3.81 0.33 -3.19 0.00 -1.05 0.08 105.19 107.79 2a41 n GLY 72 Ca -0.15 -0.38 -0.01 0.00 0.00 0.00 0.00 46.02 45.47 2a41 n GLY 72 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2a41 h ARG 73 N 0.00 0.96 0.00 1.61 2.43 -1.62 -3.44 114.38 114.32 2a41 h ARG 73 Ca 0.00 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2a41 h ARG 73 Cb 0.00 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.36 2a41 h ARG 73 CO 0.00 0.73 0.00 0.09 -1.51 0.00 0.00 179.97 179.28 2a41 n ASN 74 N -4.35 0.00 0.20 -3.80 3.02 -1.26 -5.02 115.26 104.06 2a41 n ASN 74 Ca 0.07 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.74 2a41 n ASN 74 Cb 0.12 0.00 0.28 0.00 -0.61 0.00 0.00 39.78 39.57 2a41 n ASN 74 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2a41 h SER 75 N 0.00 0.00 -3.09 6.41 4.64 -2.00 -3.42 113.55 116.09 2a41 h SER 75 Ca 0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 2a41 h SER 75 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 2a41 h SER 75 CO 0.00 0.00 0.75 -0.47 -0.87 0.00 0.00 176.83 176.24 2a41 s TYR 76 N -3.24 3.25 0.06 4.77 5.04 -1.26 -5.03 117.35 120.93 2a41 s TYR 76 Ca 0.07 1.35 0.05 0.00 -2.44 0.00 0.00 57.07 56.10 2a41 s TYR 76 Cb 0.07 -3.33 -0.03 0.00 0.35 0.00 0.00 41.96 39.03 2a41 s TYR 76 CO 0.63 -0.83 -0.13 0.15 -1.34 0.00 0.00 175.55 174.03 2a41 s LYS 77 N 2.81 0.81 0.09 4.97 1.02 -1.26 -4.41 119.74 123.77 2a41 s LYS 77 Ca 0.49 -0.86 0.01 0.00 0.02 0.00 0.00 55.97 55.64 2a41 s LYS 77 Cb -0.19 -0.79 -0.04 0.00 -0.52 0.00 0.00 37.83 36.29 2a41 s LYS 77 CO 0.13 0.18 -0.06 -1.21 -0.92 0.00 0.00 175.35 173.47 2a41 s GLU 78 N -1.51 0.81 0.17 1.68 2.02 0.11 -4.71 118.70 117.27 2a41 s GLU 78 Ca -0.02 -1.32 0.07 0.00 0.02 0.00 0.00 54.97 53.72 2a41 s GLU 78 Cb -0.09 -0.17 -0.04 0.00 0.10 0.00 0.00 34.13 33.93 2a41 s GLU 78 CO 0.02 -0.03 0.01 1.03 0.02 0.00 0.00 175.26 176.31 2a41 s ARG 79 N -3.81 2.46 -0.06 1.61 0.52 -0.53 0.41 118.95 119.55 2a41 s ARG 79 Ca 0.11 -1.07 -0.12 0.00 -0.52 0.00 0.00 55.73 54.13 2a41 s ARG 79 Cb 0.05 -2.40 -0.05 0.00 0.52 0.00 0.00 34.95 33.08 2a41 s ARG 79 CO -0.05 0.46 0.30 0.71 0.02 0.00 0.00 175.30 176.74 2a41 s TYR 80 N -1.70 3.65 -0.08 -0.53 2.02 -1.26 -3.36 117.35 116.09 2a41 s TYR 80 Ca 0.28 0.78 0.00 0.00 -0.37 0.00 0.00 57.07 57.76 2a41 s TYR 80 Cb -0.10 -2.17 0.02 0.00 -0.40 0.00 0.00 41.96 39.31 2a41 s TYR 80 CO 0.19 0.62 -0.06 -1.17 -1.57 0.00 0.00 175.55 173.56 2a41 s LEU 81 N -0.85 1.22 -0.21 -1.29 2.96 -0.63 -2.04 118.68 117.84 2a41 s LEU 81 Ca 0.20 -0.21 -0.08 0.00 -0.22 0.00 0.00 54.13 53.81 2a41 s LEU 81 Cb -0.15 -0.65 -0.04 0.00 0.50 0.00 0.00 46.19 45.85 2a41 s LEU 81 CO 0.09 -0.08 0.09 -0.36 -1.32 0.00 0.00 176.35 174.77 2a41 s PHE 82 N 1.30 3.25 -0.06 5.38 0.40 0.32 0.41 117.98 128.98 2a41 s PHE 82 Ca -0.04 0.06 0.03 0.00 -0.60 0.00 0.00 56.93 56.39 2a41 s PHE 82 Cb -0.14 -2.16 -0.02 0.00 0.51 0.00 0.00 43.02 41.21 2a41 s PHE 82 CO -0.03 0.07 -0.15 -0.51 0.70 0.00 0.00 175.22 175.30 2a41 s LEU 83 N 0.73 2.68 -0.05 -0.37 1.43 -0.04 -0.70 118.68 122.35 2a41 s LEU 83 Ca 0.05 -0.24 -0.20 0.00 -1.03 0.00 0.00 54.13 52.70 2a41 s LEU 83 Cb -0.13 -1.55 0.04 0.00 0.03 0.00 0.00 46.19 44.59 2a41 s LEU 83 CO 0.02 0.31 0.46 0.72 0.23 0.00 0.00 176.35 178.09 2a41 s PHE 84 N -0.52 -0.39 -0.42 0.29 -0.71 -0.83 -0.76 117.98 114.63 2a41 s PHE 84 Ca 0.07 0.71 -0.24 0.00 -1.04 0.00 0.00 56.93 56.43 2a41 s PHE 84 Cb -0.12 0.21 0.02 0.00 -1.21 0.00 0.00 43.02 41.93 2a41 s PHE 84 CO 0.01 -0.44 0.84 1.03 -1.34 0.00 0.00 175.22 175.33 2a41 s ARG 85 N -1.04 3.58 0.62 1.99 0.52 -0.61 0.10 118.95 124.11 2a41 s ARG 85 Ca -0.11 0.15 0.37 0.00 -0.52 0.00 0.00 55.73 55.63 2a41 s ARG 85 Cb -0.03 -3.89 2.06 0.00 0.52 0.00 0.00 34.95 33.61 2a41 s ARG 85 CO 0.06 -1.07 2.28 -1.00 0.02 0.00 0.00 175.30 175.58 2a41 h PRO 86 N 8.84 0.00 0.00 3.54 0.13 -1.72 0.16 132.00 142.95 2a41 h PRO 86 Ca -0.24 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.88 2a41 h PRO 86 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 2a41 h PRO 86 CO 0.97 0.01 -0.05 -2.95 -0.23 0.00 0.00 178.00 175.76 2a41 h ASN 87 N 0.00 0.00 0.00 1.44 -1.07 -1.87 -3.34 115.58 110.75 2a41 h ASN 87 Ca -0.00 0.00 -0.29 0.00 0.07 0.00 0.00 56.30 56.08 2a41 h ASN 87 Cb 0.08 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.27 2a41 h ASN 87 CO 0.00 0.05 -2.09 0.29 0.07 0.00 0.00 177.43 175.75 2a41 n LYS 88 N -3.13 1.36 -4.11 4.14 4.76 0.45 -5.04 118.16 116.58 2a41 n LYS 88 Ca 0.02 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.32 2a41 n LYS 88 Cb 0.43 -1.40 -0.05 0.00 -1.84 0.00 0.00 35.03 32.16 2a41 n LYS 88 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2a41 s VAL 89 N -2.38 0.00 0.02 -0.18 -7.23 -0.47 -4.53 120.40 105.62 2a41 s VAL 89 Ca -0.09 -1.67 0.02 0.00 -1.81 0.00 0.00 61.98 58.42 2a41 s VAL 89 Cb 0.05 -2.56 -0.01 0.00 0.56 0.00 0.00 36.38 34.42 2a41 s VAL 89 CO 0.63 0.00 -0.06 -0.44 -0.31 0.00 0.00 175.10 174.93 2a41 s SER 90 N -3.22 0.62 -0.32 4.85 0.01 -0.62 -4.15 113.70 110.87 2a41 s SER 90 Ca 0.32 -0.30 -0.20 0.00 1.31 0.00 0.00 55.95 57.08 2a41 s SER 90 Cb 0.01 -0.01 -0.01 0.00 0.21 0.00 0.00 66.02 66.22 2a41 s SER 90 CO 0.19 -0.08 0.60 -0.69 0.41 0.00 0.00 173.24 173.67 2a41 s VAL 91 N -0.71 4.95 -0.05 3.43 1.01 -1.26 0.38 120.40 128.15 2a41 s VAL 91 Ca -0.04 0.70 0.02 0.00 0.00 0.00 0.00 61.98 62.66 2a41 s VAL 91 Cb -0.06 -4.00 -0.25 0.00 0.00 0.00 0.00 36.38 32.08 2a41 s VAL 91 CO -0.00 -0.18 0.64 -0.07 0.00 0.00 0.00 175.10 175.49 2a41 h LEU 92 N 9.17 0.24 -7.03 3.92 3.38 -0.97 -3.48 115.31 120.53 2a41 h LEU 92 Ca -0.27 -0.45 0.14 0.00 0.09 0.00 0.00 57.88 57.38 2a41 h LEU 92 Cb 1.12 -0.08 -0.15 0.00 0.09 0.00 0.00 40.66 41.64 2a41 h LEU 92 CO 0.80 1.40 0.55 -0.62 0.09 0.00 0.00 178.44 180.65 2a41 s ASP 93 N -6.65 -0.32 -0.01 -0.43 -1.08 -1.23 -5.02 116.67 101.93 2a41 s ASP 93 Ca -0.11 -0.02 -0.20 0.00 -0.52 0.00 0.00 52.55 51.71 2a41 s ASP 93 Cb 0.07 0.35 0.04 0.00 -1.46 0.00 0.00 42.92 41.92 2a41 s ASP 93 CO 0.81 -0.57 0.42 0.42 0.52 0.00 0.00 175.17 176.78 2a41 s THR 94 N -3.01 0.04 0.32 1.71 -4.23 -1.26 -1.27 115.64 107.93 2a41 s THR 94 Ca 0.06 -0.36 -0.16 0.00 -1.18 0.00 0.00 61.69 60.06 2a41 s THR 94 Cb -0.01 -0.79 0.03 0.00 1.34 0.00 0.00 72.50 73.07 2a41 s THR 94 CO -0.08 -0.20 0.67 -0.72 -0.54 0.00 0.00 174.62 173.76 2a41 s TYR 95 N -1.55 0.15 -0.14 3.99 -0.85 -0.86 -5.01 117.35 113.08 2a41 s TYR 95 Ca -0.11 -0.64 -0.03 0.00 -0.52 0.00 0.00 57.07 55.77 2a41 s TYR 95 Cb -0.03 0.57 -0.03 0.00 0.38 0.00 0.00 41.96 42.85 2a41 s TYR 95 CO 0.04 -1.29 -0.05 -1.14 -1.52 0.00 0.00 175.55 171.59 2a41 s GLN 96 N -3.31 3.56 0.20 -3.49 0.74 -1.26 -1.09 119.66 115.01 2a41 s GLN 96 Ca 0.17 -0.53 -0.32 0.00 0.05 0.00 0.00 55.36 54.73 2a41 s GLN 96 Cb -0.04 -2.86 -0.12 0.00 1.10 0.00 0.00 33.01 31.09 2a41 s GLN 96 CO 0.10 0.29 1.72 -0.47 -0.55 0.00 0.00 175.29 176.39 2a41 s TYR 97 N 0.22 2.87 0.00 1.67 5.04 -0.00 -4.86 117.35 122.29 2a41 s TYR 97 Ca -0.03 0.33 0.00 0.00 -2.44 0.00 0.00 57.07 54.94 2a41 s TYR 97 Cb -0.14 -4.14 0.00 0.00 0.35 0.00 0.00 41.96 38.04 2a41 s TYR 97 CO 0.03 -4.32 0.11 -0.40 -1.34 0.00 0.00 175.55 169.63 2a41 n ASP 98 N 4.07 0.21 -1.42 4.32 5.75 -1.26 -4.51 116.55 123.71 2a41 n ASP 98 Ca 0.16 -0.65 -0.17 0.00 -0.01 0.00 0.00 54.79 54.12 2a41 n ASP 98 Cb 0.35 0.16 -0.06 0.00 -1.03 0.00 0.00 41.12 40.54 2a41 n ASP 98 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2a41 n ASP 99 N -0.16 -5.06 -2.47 -1.12 -0.08 -1.26 -2.28 116.55 104.11 2a41 n ASP 99 Ca 0.00 0.35 -0.01 0.00 -1.51 0.00 0.00 54.79 53.62 2a41 n ASP 99 Cb 0.09 -4.08 0.00 0.00 2.34 0.00 0.00 41.12 39.47 2a41 n ASP 99 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2a41 n GLY 100 N -0.89 -0.95 0.00 0.27 0.00 -1.26 -4.92 105.19 97.43 2a41 n GLY 100 Ca -0.18 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2a41 n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a41 h GLU 102 N 0.00 -0.25 -0.07 0.00 5.08 -1.96 -2.58 114.58 114.80 2a41 h GLU 102 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2a41 h GLU 102 Cb 0.00 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2a41 h GLU 102 CO 0.00 -0.17 0.00 -1.13 -1.00 0.00 0.00 179.01 176.71 2a41 n SER 103 N -3.44 0.91 0.25 1.42 3.41 -1.26 -4.29 113.62 110.62 2a41 n SER 103 Ca -0.03 -1.49 0.16 0.00 -0.26 0.00 0.00 58.87 57.25 2a41 n SER 103 Cb 0.14 -0.04 0.62 0.00 -0.26 0.00 0.00 64.21 64.67 2a41 n SER 103 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2a41 h GLY 105 N 2.24 0.05 2.00 0.00 0.00 -1.62 -2.69 103.07 103.04 2a41 h GLY 105 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.29 2a41 h GLY 105 CO 0.00 0.03 0.00 0.70 0.00 0.00 0.00 176.54 177.27 2a41 n ASN 106 N -4.16 0.27 0.07 0.19 5.03 -0.71 -2.39 115.26 113.56 2a41 n ASN 106 Ca -0.02 0.56 -0.01 0.00 0.87 0.00 0.00 54.58 55.98 2a41 n ASN 106 Cb 0.36 -0.62 0.27 0.00 -1.02 0.00 0.00 39.78 38.78 2a41 n ASN 106 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.26 175.87 2a41 h ASP 107 N 0.00 0.33 0.00 6.41 3.32 -1.60 -3.32 116.42 121.56 2a41 h ASP 107 Ca 0.00 -0.10 -0.27 0.00 0.02 0.00 0.00 57.03 56.68 2a41 h ASP 107 Cb 0.36 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.78 2a41 h ASP 107 CO 0.00 0.58 -2.01 -1.20 -1.72 0.00 0.00 179.24 174.88 2a41 n SER 108 N -4.15 1.59 -4.20 6.45 7.64 -1.16 -5.04 113.62 114.75 2a41 n SER 108 Ca -0.01 -0.02 -0.24 0.00 1.01 0.00 0.00 58.87 59.61 2a41 n SER 108 Cb 0.37 0.66 -0.14 0.00 -1.01 0.00 0.00 64.21 64.09 2a41 n SER 108 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2a41 s PHE 109 N -2.36 1.62 0.17 1.43 0.40 -1.01 -4.61 117.98 113.62 2a41 s PHE 109 Ca -0.10 -0.35 0.03 0.00 -0.60 0.00 0.00 56.93 55.91 2a41 s PHE 109 Cb 0.05 -0.99 -0.01 0.00 0.51 0.00 0.00 43.02 42.58 2a41 s PHE 109 CO 0.57 0.04 1.38 1.03 0.70 0.00 0.00 175.22 178.94 2a41 h SER 110 N 5.15 0.22 -3.41 1.36 0.87 -1.86 -3.36 113.55 112.51 2a41 h SER 110 Ca -0.40 -0.18 -0.61 0.00 -1.23 0.00 0.00 61.79 59.38 2a41 h SER 110 Cb 1.16 -0.07 -0.40 0.00 -0.44 0.00 0.00 62.40 62.65 2a41 h SER 110 CO 0.45 0.99 -0.74 -0.13 -0.53 0.00 0.00 176.83 176.87 2a41 s ARG 111 N -3.18 1.12 -0.09 2.24 0.52 -1.26 -1.99 118.95 116.31 2a41 s ARG 111 Ca -0.02 -1.70 -0.34 0.00 -0.52 0.00 0.00 55.73 53.14 2a41 s ARG 111 Cb 0.10 -2.29 -0.12 0.00 0.52 0.00 0.00 34.95 33.17 2a41 s ARG 111 CO 0.82 -1.09 1.89 0.39 0.02 0.00 0.00 175.30 177.33 2a41 n GLU 112 N 4.01 2.20 -1.55 3.54 4.71 -1.26 -4.75 120.64 127.53 2a41 n GLU 112 Ca 0.05 0.81 -0.52 0.00 -0.01 0.00 0.00 57.16 57.48 2a41 n GLU 112 Cb 0.37 -2.66 -0.06 0.00 -1.01 0.00 0.00 31.44 28.09 2a41 n GLU 112 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 2a41 n PRO 113 N 6.68 0.83 -3.29 3.49 -0.02 -1.26 -4.63 135.00 136.81 2a41 n PRO 113 Ca 0.23 0.30 -0.39 0.00 -2.02 0.00 0.00 63.50 61.62 2a41 n PRO 113 Cb 0.30 -1.82 -0.06 0.00 -0.02 0.00 0.00 33.50 31.90 2a41 n PRO 113 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2a41 s ALA 114 N 0.06 3.57 -0.13 3.55 0.00 -1.24 -0.82 121.76 126.75 2a41 s ALA 114 Ca 0.81 -0.01 0.01 0.00 0.00 0.00 0.00 51.96 52.77 2a41 s ALA 114 Cb -0.99 -2.63 0.02 0.00 0.00 0.00 0.00 23.12 19.52 2a41 s ALA 114 CO 0.51 0.34 -0.16 0.08 0.00 0.00 0.00 175.76 176.54 2a41 s VAL 115 N -0.82 1.61 -0.11 0.00 1.01 -0.25 -0.80 120.40 121.05 2a41 s VAL 115 Ca 0.29 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.61 2a41 s VAL 115 Cb -0.19 -1.48 -0.00 0.00 0.00 0.00 0.00 36.38 34.71 2a41 s VAL 115 CO 0.18 0.46 -0.22 -0.69 0.00 0.00 0.00 175.10 174.83 2a41 s VAL 116 N 1.16 2.19 -0.24 2.92 1.01 0.37 -2.02 120.40 125.78 2a41 s VAL 116 Ca -0.02 -0.97 -0.15 0.00 0.00 0.00 0.00 61.98 60.84 2a41 s VAL 116 Cb -0.14 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 2a41 s VAL 116 CO -0.05 0.55 0.35 -0.75 0.00 0.00 0.00 175.10 175.20 2a41 s LYS 117 N 0.39 4.08 0.16 2.72 2.20 -0.40 -0.41 119.74 128.49 2a41 s LYS 117 Ca -0.17 0.06 0.07 0.00 -0.36 0.00 0.00 55.97 55.57 2a41 s LYS 117 Cb -0.17 -3.60 -0.04 0.00 -1.51 0.00 0.00 37.83 32.50 2a41 s LYS 117 CO 0.07 -0.15 0.00 -0.06 -0.36 0.00 0.00 175.35 174.85 2a41 s PHE 118 N 1.68 2.86 -0.07 4.03 0.08 0.95 -0.28 117.98 127.23 2a41 s PHE 118 Ca 0.15 -0.12 0.02 0.00 0.12 0.00 0.00 56.93 57.10 2a41 s PHE 118 Cb -0.15 -1.40 -0.03 0.00 -0.57 0.00 0.00 43.02 40.87 2a41 s PHE 118 CO 0.09 0.51 -0.10 0.45 -0.10 0.00 0.00 175.22 176.06 2a41 s SER 119 N -2.87 4.34 -0.05 1.36 0.15 0.16 -2.42 113.70 114.36 2a41 s SER 119 Ca 0.27 -0.13 -0.02 0.00 0.70 0.00 0.00 55.95 56.77 2a41 s SER 119 Cb -0.10 -1.12 0.03 0.00 -1.71 0.00 0.00 66.02 63.13 2a41 s SER 119 CO 0.19 0.32 0.08 -0.55 1.20 0.00 0.00 173.24 174.48 2a41 s SER 120 N -0.59 1.01 -0.04 5.45 0.15 0.61 -1.58 113.70 118.70 2a41 s SER 120 Ca 0.09 0.14 0.20 0.00 0.70 0.00 0.00 55.95 57.08 2a41 s SER 120 Cb -0.11 -0.04 -0.25 0.00 -1.71 0.00 0.00 66.02 63.91 2a41 s SER 120 CO 0.02 -0.25 0.47 0.00 1.20 0.00 0.00 173.24 174.69 2a41 n HIS 121 N 5.27 0.26 0.16 3.44 1.44 -1.26 -4.17 115.22 120.36 2a41 n HIS 121 Ca -0.04 0.08 0.08 0.00 -2.01 0.00 0.00 57.72 55.83 2a41 n HIS 121 Cb 0.50 -0.79 0.25 0.00 0.12 0.00 0.00 29.99 30.07 2a41 n HIS 121 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 2a41 n SER 122 N -2.55 3.17 -4.36 4.39 3.41 -1.26 -4.92 113.62 111.50 2a41 n SER 122 Ca -0.13 -2.10 -0.18 0.00 -0.26 0.00 0.00 58.87 56.19 2a41 n SER 122 Cb 0.78 -0.41 -0.10 0.00 -0.26 0.00 0.00 64.21 64.22 2a41 n SER 122 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2a41 s THR 123 N -1.42 1.14 0.07 6.66 -4.23 -1.26 -4.88 115.64 111.71 2a41 s THR 123 Ca 0.37 -2.04 -0.24 0.00 -1.18 0.00 0.00 61.69 58.60 2a41 s THR 123 Cb 0.21 -2.43 -0.16 0.00 1.34 0.00 0.00 72.50 71.45 2a41 s THR 123 CO 0.23 -0.26 1.65 0.11 -0.54 0.00 0.00 174.62 175.81 2a41 h LYS 124 N 2.39 -0.10 -6.59 3.99 1.57 -1.70 -3.39 116.57 112.73 2a41 h LYS 124 Ca -0.39 0.01 -0.52 0.00 -1.87 0.00 0.00 60.65 57.87 2a41 h LYS 124 Cb 1.23 0.02 0.04 0.00 0.08 0.00 0.00 32.23 33.60 2a41 h LYS 124 CO 0.66 -0.00 0.88 0.14 -0.57 0.00 0.00 179.45 180.55 2a41 s VAL 125 N -5.89 2.67 -0.16 0.50 -7.23 -1.26 -4.90 120.40 104.14 2a41 s VAL 125 Ca -0.14 0.47 0.17 0.00 -1.81 0.00 0.00 61.98 60.66 2a41 s VAL 125 Cb 0.05 -3.30 -0.24 0.00 0.56 0.00 0.00 36.38 33.45 2a41 s VAL 125 CO 0.65 0.03 0.24 0.29 -0.31 0.00 0.00 175.10 176.01 2a41 n LYS 126 N 4.06 0.67 -4.00 4.82 4.76 -1.26 -4.67 118.16 122.55 2a41 n LYS 126 Ca 0.14 0.07 -0.16 0.00 -2.87 0.00 0.00 58.31 55.50 2a41 n LYS 126 Cb 0.39 -1.60 -0.15 0.00 -1.84 0.00 0.00 35.03 31.83 2a41 n LYS 126 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2a41 s GLU 127 N -2.53 0.31 0.16 1.97 2.02 -1.26 -0.29 118.70 119.08 2a41 s GLU 127 Ca -0.08 -0.03 -0.11 0.00 0.02 0.00 0.00 54.97 54.77 2a41 s GLU 127 Cb 0.07 -0.39 0.00 0.00 0.10 0.00 0.00 34.13 33.91 2a41 s GLU 127 CO 0.83 -0.03 0.34 -0.59 0.02 0.00 0.00 175.26 175.82 2a41 s PHE 128 N 0.48 0.22 0.22 1.61 -0.71 -1.02 -4.78 117.98 114.00 2a41 s PHE 128 Ca -0.05 -0.58 0.08 0.00 -1.04 0.00 0.00 56.93 55.34 2a41 s PHE 128 Cb -0.08 0.07 -0.04 0.00 -1.21 0.00 0.00 43.02 41.76 2a41 s PHE 128 CO -0.01 -0.75 0.06 0.00 -1.34 0.00 0.00 175.22 173.19 2a41 s ALA 129 N -3.93 3.33 -0.10 1.99 0.00 -0.71 -0.04 121.76 122.31 2a41 s ALA 129 Ca 0.13 -1.44 0.02 0.00 0.00 0.00 0.00 51.96 50.68 2a41 s ALA 129 Cb 0.02 -1.06 0.01 0.00 0.00 0.00 0.00 23.12 22.10 2a41 s ALA 129 CO -0.02 0.37 -0.16 0.42 0.00 0.00 0.00 175.76 176.37 2a41 s ILE 130 N -1.99 1.51 -0.22 0.00 1.01 0.45 -0.69 121.20 121.28 2a41 s ILE 130 Ca 0.30 -0.67 -0.08 0.00 0.00 0.00 0.00 60.65 60.20 2a41 s ILE 130 Cb -0.08 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.99 2a41 s ILE 130 CO 0.21 0.44 0.10 -0.69 0.00 0.00 0.00 174.94 175.00 2a41 s VAL 131 N 0.79 4.83 -0.03 2.92 1.01 0.70 -0.48 120.40 130.14 2a41 s VAL 131 Ca -0.11 -0.01 -0.13 0.00 0.00 0.00 0.00 61.98 61.73 2a41 s VAL 131 Cb -0.16 -3.23 -0.05 0.00 0.00 0.00 0.00 36.38 32.94 2a41 s VAL 131 CO 0.02 0.38 0.35 0.00 0.00 0.00 0.00 175.10 175.85 2a41 s ALA 132 N 1.00 3.73 -0.16 5.51 0.00 0.02 -1.53 121.76 130.33 2a41 s ALA 132 Ca 0.05 -0.31 -0.07 0.00 0.00 0.00 0.00 51.96 51.63 2a41 s ALA 132 Cb -0.14 -2.30 0.07 0.00 0.00 0.00 0.00 23.12 20.75 2a41 s ALA 132 CO 0.03 0.49 0.35 -1.17 0.00 0.00 0.00 175.76 175.47 2a41 s LEU 133 N -1.00 -0.26 -0.36 0.00 2.96 -0.75 -3.65 118.68 115.62 2a41 s LEU 133 Ca 0.22 0.80 -0.06 0.00 -0.22 0.00 0.00 54.13 54.87 2a41 s LEU 133 Cb -0.16 1.09 0.06 0.00 0.50 0.00 0.00 46.19 47.69 2a41 s LEU 133 CO 0.11 -0.21 0.13 -2.28 -1.32 0.00 0.00 176.35 172.78 2a41 s HIS 134 N 2.04 3.33 0.63 5.38 5.65 -1.26 -2.84 115.29 128.22 2a41 s HIS 134 Ca -0.04 -1.68 -0.11 0.00 0.25 0.00 0.00 55.06 53.49 2a41 s HIS 134 Cb -0.11 -2.53 -0.02 0.00 -1.18 0.00 0.00 32.58 28.73 2a41 s HIS 134 CO -0.11 -0.80 1.03 -1.54 -0.65 0.00 0.00 174.74 172.66 2a41 s SER 135 N 1.59 6.02 -0.31 9.88 1.04 -0.77 -4.62 113.70 126.53 2a41 s SER 135 Ca 0.00 1.29 -0.26 0.00 0.48 0.00 0.00 55.95 57.47 2a41 s SER 135 Cb -0.21 -2.30 0.01 0.00 0.10 0.00 0.00 66.02 63.62 2a41 s SER 135 CO 0.01 -0.98 0.91 0.00 0.98 0.00 0.00 173.24 174.17 2a41 s ALA 136 N -3.19 3.53 0.34 5.32 0.00 -1.26 -4.83 121.76 121.68 2a41 s ALA 136 Ca 0.55 -0.24 0.15 0.00 0.00 0.00 0.00 51.96 52.42 2a41 s ALA 136 Cb -0.11 -3.46 1.11 0.00 0.00 0.00 0.00 23.12 20.66 2a41 s ALA 136 CO 0.53 -1.30 1.66 -1.35 0.00 0.00 0.00 175.76 175.30 2a41 h PRO 137 N 8.06 0.29 -0.00 0.00 0.10 -1.95 0.57 132.00 139.08 2a41 h PRO 137 Ca -0.22 -0.02 0.00 0.00 0.10 0.00 0.00 66.00 65.86 2a41 h PRO 137 Cb 1.08 -0.07 0.00 0.00 0.10 0.00 0.00 31.00 32.11 2a41 h PRO 137 CO 0.95 0.19 -0.02 -1.13 0.10 0.00 0.00 178.00 178.09 2a41 n SER 138 N -5.06 0.06 -0.99 -2.05 3.41 -1.26 -3.16 113.62 104.57 2a41 n SER 138 Ca 0.32 -0.14 0.05 0.00 -0.26 0.00 0.00 58.87 58.84 2a41 n SER 138 Cb 1.01 -0.27 0.10 0.00 -0.26 0.00 0.00 64.21 64.79 2a41 n SER 138 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2a41 n ASP 139 N -1.27 1.28 -0.13 4.04 2.03 0.19 -4.87 116.55 117.82 2a41 n ASP 139 Ca 0.14 -2.81 -0.10 0.00 0.52 0.00 0.00 54.79 52.54 2a41 n ASP 139 Cb 0.26 -0.39 -0.01 0.00 -0.72 0.00 0.00 41.12 40.25 2a41 n ASP 139 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2a41 h ALA 140 N 0.87 0.49 -0.38 -1.67 0.00 -1.31 -1.18 119.26 116.08 2a41 h ALA 140 Ca -0.11 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.67 2a41 h ALA 140 Cb 1.46 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 2a41 h ALA 140 CO 0.05 0.15 0.09 0.28 0.00 0.00 0.00 179.25 179.83 2a41 h VAL 141 N 0.45 0.84 -0.52 0.00 2.07 -1.87 0.12 116.25 117.34 2a41 h VAL 141 Ca 0.12 -0.08 -0.12 0.00 0.82 0.00 0.00 66.70 67.44 2a41 h VAL 141 Cb 0.29 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 2a41 h VAL 141 CO -0.00 0.04 -0.13 0.00 0.02 0.00 0.00 177.57 177.50 2a41 h ALA 142 N 1.27 0.79 -0.17 1.67 0.00 -1.89 -1.73 119.26 119.19 2a41 h ALA 142 Ca 0.18 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 2a41 h ALA 142 Cb 0.19 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2a41 h ALA 142 CO -0.21 0.67 -0.09 0.93 0.00 0.00 0.00 179.25 180.55 2a41 h GLU 143 N 0.88 0.36 -0.98 0.00 5.08 -0.69 0.46 114.58 119.69 2a41 h GLU 143 Ca 0.13 -0.16 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2a41 h GLU 143 Cb 0.69 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.88 2a41 h GLU 143 CO 0.05 0.67 0.64 0.82 -1.00 0.00 0.00 179.01 180.20 2a41 h ILE 144 N 0.05 1.22 -0.34 3.13 2.04 -0.83 -1.83 117.51 120.94 2a41 h ILE 144 Ca 0.04 -0.44 -0.09 0.00 1.00 0.00 0.00 64.86 65.37 2a41 h ILE 144 Cb 0.57 -0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 2a41 h ILE 144 CO 0.03 0.23 -0.16 -1.13 0.00 0.00 0.00 178.15 177.12 2a41 h ASN 145 N 1.28 0.61 0.44 1.72 -1.24 -0.89 -2.32 115.58 115.18 2a41 h ASN 145 Ca 0.37 -0.19 -0.03 0.00 0.71 0.00 0.00 56.30 57.17 2a41 h ASN 145 Cb -0.08 -0.17 -0.00 0.00 0.73 0.00 0.00 38.32 38.80 2a41 h ASN 145 CO -0.10 0.79 -0.12 0.28 -1.29 0.00 0.00 177.43 176.99 2a41 h SER 146 N 0.56 0.00 -0.46 1.15 0.02 0.51 -2.70 113.55 112.63 2a41 h SER 146 Ca 0.09 0.00 0.10 0.00 -0.84 0.00 0.00 61.79 61.15 2a41 h SER 146 Cb 0.60 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 2a41 h SER 146 CO 0.04 0.12 0.32 -0.07 -1.14 0.00 0.00 176.83 176.11 2a41 h LEU 147 N 0.00 0.15 -0.91 5.07 3.38 -0.76 0.12 115.31 122.36 2a41 h LEU 147 Ca -0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.05 2a41 h LEU 147 Cb 0.38 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.03 2a41 h LEU 147 CO 0.02 0.09 0.57 0.22 0.09 0.00 0.00 178.44 179.43 2a41 h TYR 148 N 0.17 1.05 -0.32 1.13 3.20 -1.60 -1.28 116.97 119.32 2a41 h TYR 148 Ca 0.22 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.97 2a41 h TYR 148 Cb 0.63 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 2a41 h TYR 148 CO -0.00 0.51 -0.38 -0.44 -1.64 0.00 0.00 178.16 176.21 2a41 h ASP 149 N 1.01 0.81 -0.87 -2.11 3.32 -0.95 -2.64 116.42 115.00 2a41 h ASP 149 Ca 0.41 -0.36 0.07 0.00 0.02 0.00 0.00 57.03 57.17 2a41 h ASP 149 Cb 0.23 -0.23 -0.06 0.00 0.22 0.00 0.00 39.33 39.50 2a41 h ASP 149 CO -0.19 1.10 0.57 0.58 -1.72 0.00 0.00 179.24 179.57 2a41 h VAL 150 N 0.63 1.04 -0.59 -1.35 2.07 -0.99 -0.78 116.25 116.28 2a41 h VAL 150 Ca 0.06 -0.33 -0.09 0.00 0.82 0.00 0.00 66.70 67.16 2a41 h VAL 150 Cb 0.93 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 2a41 h VAL 150 CO 0.09 0.17 0.01 0.22 0.02 0.00 0.00 177.57 178.08 2a41 h TYR 151 N 0.95 1.13 -0.51 1.57 3.20 -0.97 -0.69 116.97 121.65 2a41 h TYR 151 Ca 0.38 -0.19 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 2a41 h TYR 151 Cb 0.25 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.20 2a41 h TYR 151 CO -0.00 1.00 0.26 -0.07 -1.64 0.00 0.00 178.16 177.70 2a41 h LEU 152 N 0.93 0.66 -0.28 2.82 4.07 -1.04 -1.24 115.31 121.23 2a41 h LEU 152 Ca 0.17 -0.12 0.04 0.00 0.08 0.00 0.00 57.88 58.04 2a41 h LEU 152 Cb 0.54 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 42.08 2a41 h LEU 152 CO 0.03 0.60 0.07 -0.78 -1.08 0.00 0.00 178.44 177.28 2a41 h ASP 153 N 0.68 0.05 -0.29 -0.43 3.58 -0.59 -0.21 116.42 119.21 2a41 h ASP 153 Ca 0.18 0.04 0.02 0.00 0.42 0.00 0.00 57.03 57.69 2a41 h ASP 153 Cb 0.10 0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.17 2a41 h ASP 153 CO -0.02 0.06 0.15 0.58 -2.88 0.00 0.00 179.24 177.12 2a41 h VAL 154 N 0.18 0.99 -0.52 2.25 2.07 -0.96 -0.46 116.25 119.79 2a41 h VAL 154 Ca 0.13 -0.10 0.07 0.00 0.82 0.00 0.00 66.70 67.61 2a41 h VAL 154 Cb 0.12 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 30.49 2a41 h VAL 154 CO -0.15 0.06 0.21 -0.61 0.02 0.00 0.00 177.57 177.09 2a41 h GLN 155 N 0.31 0.39 -0.34 1.57 4.15 -0.81 0.16 115.11 120.54 2a41 h GLN 155 Ca 0.12 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.44 2a41 h GLN 155 Cb 0.04 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.63 2a41 h GLN 155 CO -0.08 0.26 -0.11 0.37 -1.93 0.00 0.00 178.83 177.33 2a41 h GLN 156 N 0.40 0.67 -0.12 1.69 4.15 -0.77 0.29 115.11 121.43 2a41 h GLN 156 Ca 0.25 -0.27 -0.12 0.00 0.77 0.00 0.00 58.65 59.28 2a41 h GLN 156 Cb 0.25 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.92 2a41 h GLN 156 CO -0.24 0.85 -0.39 0.87 -1.93 0.00 0.00 178.83 177.99 2a41 h LYS 157 N 0.45 0.47 -0.18 1.69 1.57 -0.81 -3.37 116.57 116.40 2a41 h LYS 157 Ca 0.08 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2a41 h LYS 157 Cb 0.62 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.99 2a41 h LYS 157 CO 0.04 0.97 0.00 0.91 -0.57 0.00 0.00 179.45 180.80 2a41 n TRP 158 N -4.32 0.23 -3.83 -1.35 8.01 0.53 -5.00 117.44 111.70 2a41 n TRP 158 Ca -0.07 -0.22 -0.32 0.00 -1.31 0.00 0.00 57.50 55.57 2a41 n TRP 158 Cb 0.53 -0.01 0.02 0.00 -2.01 0.00 0.00 31.31 29.84 2a41 n TRP 158 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.69 177.40 2a41 n HIS 159 N 0.64 -1.75 -3.70 -5.99 8.25 0.10 -4.92 115.22 107.86 2a41 n HIS 159 Ca 0.10 0.49 -0.11 0.00 -0.26 0.00 0.00 57.72 57.93 2a41 n HIS 159 Cb 0.36 -3.43 -0.12 0.00 1.12 0.00 0.00 29.99 27.93 2a41 n HIS 159 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2a41 s LEU 160 N -6.78 -0.03 -0.01 2.41 2.96 -1.22 -5.05 118.68 110.97 2a41 s LEU 160 Ca 0.33 0.77 0.22 0.00 -0.22 0.00 0.00 54.13 55.23 2a41 s LEU 160 Cb -0.13 1.11 -0.27 0.00 0.50 0.00 0.00 46.19 47.40 2a41 s LEU 160 CO 0.89 -0.19 0.62 0.59 -1.32 0.00 0.00 176.35 176.94 2a41 n ASN 161 N 4.48 0.27 -4.53 3.68 5.03 -1.26 -4.18 115.26 118.75 2a41 n ASN 161 Ca -0.21 -0.17 -0.42 0.00 0.87 0.00 0.00 54.58 54.65 2a41 n ASN 161 Cb 0.53 1.65 -0.03 0.00 -1.02 0.00 0.00 39.78 40.91 2a41 n ASN 161 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 2a41 s ASP 162 N -4.26 6.21 -0.04 6.41 1.01 -1.26 -3.17 116.67 121.57 2a41 s ASP 162 Ca -0.04 -0.72 0.00 0.00 0.71 0.00 0.00 52.55 52.50 2a41 s ASP 162 Cb 0.14 -2.52 0.03 0.00 1.01 0.00 0.00 42.92 41.57 2a41 s ASP 162 CO 0.89 -1.69 -0.01 -0.69 0.21 0.00 0.00 175.17 173.87 2a41 s VAL 163 N 5.18 0.33 -0.21 -1.27 1.01 -0.68 -1.73 120.40 123.02 2a41 s VAL 163 Ca 0.33 0.02 -0.05 0.00 0.00 0.00 0.00 61.98 62.28 2a41 s VAL 163 Cb -0.09 -0.41 -0.02 0.00 0.00 0.00 0.00 36.38 35.86 2a41 s VAL 163 CO 0.11 0.19 0.01 -0.32 0.00 0.00 0.00 175.10 175.09 2a41 s MET 164 N 1.13 3.60 -0.17 2.72 1.75 0.14 -0.87 119.30 127.60 2a41 s MET 164 Ca -0.08 -0.52 -0.04 0.00 -1.25 0.00 0.00 55.69 53.79 2a41 s MET 164 Cb -0.14 -3.13 -0.03 0.00 2.84 0.00 0.00 34.83 34.38 2a41 s MET 164 CO -0.01 -0.06 -0.02 -0.51 -0.65 0.00 0.00 175.02 173.77 2a41 s LEU 165 N 1.20 3.34 0.20 4.11 1.02 0.62 -0.21 118.68 128.95 2a41 s LEU 165 Ca 0.03 -0.11 -0.17 0.00 0.02 0.00 0.00 54.13 53.91 2a41 s LEU 165 Cb -0.14 -1.82 0.02 0.00 0.02 0.00 0.00 46.19 44.27 2a41 s LEU 165 CO 0.01 0.16 0.52 0.00 0.02 0.00 0.00 176.35 177.06 2a41 s MET 166 N 0.45 1.40 0.00 1.70 0.23 -0.58 -0.32 119.30 122.18 2a41 s MET 166 Ca -0.02 -0.91 0.00 0.00 -1.03 0.00 0.00 55.69 53.73 2a41 s MET 166 Cb -0.14 0.52 0.00 0.00 -1.53 0.00 0.00 34.83 33.68 2a41 s MET 166 CO 0.02 -0.59 0.00 0.41 -2.03 0.00 0.00 175.02 172.83 2a41 n GLY 167 N -0.34 0.80 3.56 3.16 0.00 -0.93 -1.81 105.19 109.63 2a41 n GLY 167 Ca -0.09 -2.14 -0.36 0.00 0.00 0.00 0.00 46.02 43.42 2a41 n GLY 167 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2a41 s ASP 168 N -1.52 5.98 0.00 1.61 2.15 -1.13 -1.85 116.67 121.91 2a41 s ASP 168 Ca 0.00 -1.05 0.27 0.00 0.43 0.00 0.00 52.55 52.19 2a41 s ASP 168 Cb 0.00 -2.56 1.21 0.00 -0.30 0.00 0.00 42.92 41.27 2a41 s ASP 168 CO 0.00 -1.98 1.88 0.49 -0.17 0.00 0.00 175.17 175.39 2a41 n PHE 169 N 10.76 0.00 -2.97 -5.34 3.01 -0.49 -1.84 117.46 120.59 2a41 n PHE 169 Ca 0.33 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.58 2a41 n PHE 169 Cb 0.50 -0.43 0.01 0.00 -0.01 0.00 0.00 39.48 39.54 2a41 n PHE 169 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2a41 n ASN 170 N -1.43 -4.91 -3.65 4.37 3.02 -0.52 -4.64 115.26 107.50 2a41 n ASN 170 Ca 0.08 -0.21 -0.41 0.00 -0.03 0.00 0.00 54.58 54.01 2a41 n ASN 170 Cb 0.28 -4.03 0.00 0.00 -0.61 0.00 0.00 39.78 35.42 2a41 n ASN 170 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2a41 n ALA 171 N -3.16 6.18 0.00 5.41 0.00 -1.05 -4.24 120.51 123.66 2a41 n ALA 171 Ca -0.10 -4.24 0.00 0.00 0.00 0.00 0.00 53.44 49.10 2a41 n ALA 171 Cb 0.60 -2.78 0.00 0.00 0.00 0.00 0.00 19.45 17.26 2a41 n ALA 171 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2a41 n ASP 172 N 2.32 0.00 0.00 0.00 -0.08 -1.25 -4.57 116.55 112.97 2a41 n ASP 172 Ca 0.52 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.80 2a41 n ASP 172 Cb 0.29 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.75 2a41 n ASP 172 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2a41 n SER 174 N 4.43 0.13 -0.04 0.00 3.41 -1.26 -3.87 113.62 116.41 2a41 n SER 174 Ca 0.00 0.20 -0.08 0.00 -0.26 0.00 0.00 58.87 58.73 2a41 n SER 174 Cb 0.00 -0.31 -0.14 0.00 -0.26 0.00 0.00 64.21 63.50 2a41 n SER 174 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2a41 n TYR 175 N -1.43 0.64 -3.72 7.33 4.01 -0.52 -4.73 117.16 118.74 2a41 n TYR 175 Ca 0.08 0.23 -0.28 0.00 -0.16 0.00 0.00 57.90 57.77 2a41 n TYR 175 Cb 0.32 -1.10 -0.16 0.00 -0.31 0.00 0.00 39.34 38.09 2a41 n TYR 175 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2a41 s VAL 176 N -2.60 0.54 0.41 -0.72 1.01 -0.66 -4.36 120.40 114.01 2a41 s VAL 176 Ca -0.06 -0.68 -0.03 0.00 0.00 0.00 0.00 61.98 61.21 2a41 s VAL 176 Cb 0.07 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 2a41 s VAL 176 CO 0.83 -0.30 0.67 0.42 0.00 0.00 0.00 175.10 176.72 2a41 s THR 177 N 1.84 5.00 0.57 3.92 -4.23 -1.26 -3.48 115.64 118.00 2a41 s THR 177 Ca 0.01 -0.10 0.27 0.00 -1.18 0.00 0.00 61.69 60.69 2a41 s THR 177 Cb -0.17 -3.85 0.33 0.00 1.34 0.00 0.00 72.50 70.15 2a41 s THR 177 CO -0.12 -0.68 2.23 0.77 -0.54 0.00 0.00 174.62 176.27 2a41 h SER 178 N 0.57 0.00 1.23 3.99 4.64 -1.99 -1.14 113.55 120.84 2a41 h SER 178 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2a41 h SER 178 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2a41 h SER 178 CO 0.62 0.01 0.00 -1.54 -0.87 0.00 0.00 176.83 175.05 2a41 n SER 179 N -3.96 0.76 0.05 4.97 3.41 -1.26 -2.97 113.62 114.62 2a41 n SER 179 Ca -0.03 0.60 0.12 0.00 -0.26 0.00 0.00 58.87 59.31 2a41 n SER 179 Cb 0.09 -0.80 0.19 0.00 -0.26 0.00 0.00 64.21 63.44 2a41 n SER 179 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2a41 n GLN 180 N -2.25 0.26 -0.13 4.33 6.02 -0.43 -3.81 117.38 121.37 2a41 n GLN 180 Ca 0.04 0.08 0.07 0.00 -0.01 0.00 0.00 57.00 57.19 2a41 n GLN 180 Cb 0.36 -1.67 0.40 0.00 1.02 0.00 0.00 30.24 30.35 2a41 n GLN 180 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 177.06 174.56 2a41 h TRP 181 N 0.00 0.65 0.00 1.08 4.06 -1.59 -1.52 115.95 118.63 2a41 h TRP 181 Ca 0.00 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.97 2a41 h TRP 181 Cb 0.72 -0.21 0.00 0.00 -1.00 0.00 0.00 29.16 28.66 2a41 h TRP 181 CO 0.00 0.35 0.00 -1.13 -3.56 0.00 0.00 178.44 174.10 2a41 n SER 182 N -4.48 0.00 -0.67 -3.49 3.41 -1.25 -2.19 113.62 104.95 2a41 n SER 182 Ca 0.09 0.46 0.08 0.00 -0.26 0.00 0.00 58.87 59.24 2a41 n SER 182 Cb 0.23 -0.47 0.08 0.00 -0.26 0.00 0.00 64.21 63.79 2a41 n SER 182 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2a41 n SER 183 N -1.47 2.44 -4.46 4.04 3.41 -0.57 -4.85 113.62 112.15 2a41 n SER 183 Ca 0.02 -1.71 -0.43 0.00 -0.26 0.00 0.00 58.87 56.50 2a41 n SER 183 Cb 0.09 -0.03 -0.10 0.00 -0.26 0.00 0.00 64.21 63.91 2a41 n SER 183 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2a41 s ILE 184 N -1.31 5.22 0.35 -1.33 1.01 -0.93 -4.91 121.20 119.30 2a41 s ILE 184 Ca 0.20 -0.61 0.04 0.00 0.00 0.00 0.00 60.65 60.28 2a41 s ILE 184 Cb 0.14 -3.96 0.28 0.00 0.01 0.00 0.00 42.46 38.93 2a41 s ILE 184 CO 0.20 -0.34 1.97 0.03 0.00 0.00 0.00 174.94 176.80 2a41 h ARG 185 N 8.66 0.81 -0.45 2.79 3.08 -1.87 0.12 114.38 127.52 2a41 h ARG 185 Ca -0.27 -0.05 0.13 0.00 0.07 0.00 0.00 59.98 59.86 2a41 h ARG 185 Cb 1.12 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.97 2a41 h ARG 185 CO 0.75 0.54 0.43 1.25 -1.07 0.00 0.00 179.97 181.87 2a41 h LEU 186 N 0.84 0.00 0.00 3.04 5.85 -1.82 -1.28 115.31 121.94 2a41 h LEU 186 Ca 0.29 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.67 2a41 h LEU 186 Cb 0.11 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 2a41 h LEU 186 CO -0.09 0.00 -2.15 -1.14 -0.34 0.00 0.00 178.44 174.73 2a41 n ARG 187 N -3.86 0.67 0.08 1.25 3.00 0.35 -4.60 116.66 113.54 2a41 n ARG 187 Ca 0.08 0.10 0.05 0.00 -0.00 0.00 0.00 57.85 58.09 2a41 n ARG 187 Cb 0.62 -1.62 -0.03 0.00 0.00 0.00 0.00 32.46 31.43 2a41 n ARG 187 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.63 179.42 2a41 h THR 188 N 0.00 0.30 -3.56 5.15 1.35 -0.64 -3.45 112.91 112.05 2a41 h THR 188 Ca -0.46 -1.56 -0.52 0.00 -0.55 0.00 0.00 66.41 63.33 2a41 h THR 188 Cb 2.16 1.84 -0.00 0.00 -1.73 0.00 0.00 68.15 70.41 2a41 h THR 188 CO 0.05 0.17 0.44 -0.55 -0.25 0.00 0.00 175.52 175.37 2a41 s SER 189 N -5.68 7.35 0.03 5.36 0.15 -0.55 -4.93 113.70 115.42 2a41 s SER 189 Ca -0.01 1.99 0.19 0.00 0.70 0.00 0.00 55.95 58.82 2a41 s SER 189 Cb 0.09 -2.60 0.78 0.00 -1.71 0.00 0.00 66.02 62.58 2a41 s SER 189 CO 0.79 -0.16 1.59 -1.54 1.20 0.00 0.00 173.24 175.12 2a41 n SER 190 N 2.50 0.07 0.30 5.45 3.41 -1.26 -2.60 113.62 121.50 2a41 n SER 190 Ca 0.03 0.52 0.17 0.00 -0.26 0.00 0.00 58.87 59.32 2a41 n SER 190 Cb 0.47 -0.53 0.96 0.00 -0.26 0.00 0.00 64.21 64.85 2a41 n SER 190 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2a41 h THR 191 N 0.00 0.35 -3.94 6.66 2.02 -1.95 -3.43 112.91 112.62 2a41 h THR 191 Ca 0.00 -0.14 -0.69 0.00 0.77 0.00 0.00 66.41 66.35 2a41 h THR 191 Cb 0.32 1.10 -0.22 0.00 -1.74 0.00 0.00 68.15 67.61 2a41 h THR 191 CO 0.00 0.03 -0.76 -0.36 0.37 0.00 0.00 175.52 174.80 2a41 s PHE 192 N -4.35 2.73 -0.13 3.16 0.40 -1.07 -4.14 117.98 114.58 2a41 s PHE 192 Ca -0.04 -0.14 0.03 0.00 -0.60 0.00 0.00 56.93 56.18 2a41 s PHE 192 Cb 0.14 -1.61 0.01 0.00 0.51 0.00 0.00 43.02 42.06 2a41 s PHE 192 CO 0.51 0.23 -0.21 -1.14 0.70 0.00 0.00 175.22 175.31 2a41 s GLN 193 N -0.91 2.92 -0.41 0.44 0.74 -0.49 -4.96 119.66 116.99 2a41 s GLN 193 Ca 0.13 -0.82 -0.17 0.00 0.05 0.00 0.00 55.36 54.55 2a41 s GLN 193 Cb -0.11 -2.35 0.02 0.00 1.10 0.00 0.00 33.01 31.68 2a41 s GLN 193 CO 0.02 0.01 0.42 -1.58 -0.55 0.00 0.00 175.29 173.61 2a41 s TRP 194 N 0.76 3.18 0.02 1.67 0.52 -1.26 -1.92 118.94 121.91 2a41 s TRP 194 Ca -0.09 -0.35 -0.11 0.00 0.02 0.00 0.00 56.10 55.57 2a41 s TRP 194 Cb -0.16 -2.84 -0.33 0.00 -1.15 0.00 0.00 33.47 28.99 2a41 s TRP 194 CO -0.00 -0.66 0.93 -0.07 0.02 0.00 0.00 176.95 177.17 2a41 h LEU 195 N 8.99 0.67 -8.89 2.99 3.38 -1.56 -3.41 115.31 117.48 2a41 h LEU 195 Ca -0.27 -0.80 -0.61 0.00 0.09 0.00 0.00 57.88 56.29 2a41 h LEU 195 Cb 1.11 -0.22 -0.12 0.00 0.09 0.00 0.00 40.66 41.53 2a41 h LEU 195 CO 0.78 1.64 0.22 -0.63 0.09 0.00 0.00 178.44 180.54 2a41 s ILE 196 N -2.61 4.89 0.82 1.22 -1.09 -1.25 -4.83 121.20 118.35 2a41 s ILE 196 Ca -0.10 0.95 -0.12 0.00 -2.23 0.00 0.00 60.65 59.15 2a41 s ILE 196 Cb 0.05 -4.04 0.08 0.00 -1.58 0.00 0.00 42.46 36.97 2a41 s ILE 196 CO 0.91 -0.18 1.15 -2.16 -1.23 0.00 0.00 174.94 173.43 2a41 s PRO 197 N 2.71 1.92 0.66 2.79 0.04 -1.26 -4.82 135.00 137.04 2a41 s PRO 197 Ca 0.27 0.26 0.43 0.00 0.04 0.00 0.00 61.00 62.01 2a41 s PRO 197 Cb -0.15 -1.93 2.37 0.00 0.04 0.00 0.00 34.50 34.83 2a41 s PRO 197 CO 0.12 -1.65 2.36 -0.44 0.04 0.00 0.00 177.00 177.43 2a41 h ASP 198 N -1.10 0.00 1.58 6.66 3.32 -1.95 -2.30 116.42 122.63 2a41 h ASP 198 Ca -0.47 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.55 2a41 h ASP 198 Cb 1.31 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.86 2a41 h ASP 198 CO 0.64 0.00 -0.43 0.77 -1.72 0.00 0.00 179.24 178.50 2a41 h SER 199 N 0.00 0.00 -3.30 6.45 4.64 -1.98 -3.39 113.55 115.97 2a41 h SER 199 Ca -0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 2a41 h SER 199 Cb 0.00 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.19 2a41 h SER 199 CO 0.00 0.12 0.79 0.00 -0.87 0.00 0.00 176.83 176.87 2a41 n ALA 200 N -2.16 2.18 -2.52 5.18 0.00 -0.87 -4.86 120.51 117.47 2a41 n ALA 200 Ca 0.02 0.37 -0.43 0.00 0.00 0.00 0.00 53.44 53.40 2a41 n ALA 200 Cb 0.59 -2.41 -0.07 0.00 0.00 0.00 0.00 19.45 17.56 2a41 n ALA 200 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2a41 s ASP 201 N 0.28 6.32 -0.03 0.00 2.15 -1.26 -1.56 116.67 122.57 2a41 s ASP 201 Ca 0.62 -0.29 0.13 0.00 0.43 0.00 0.00 52.55 53.44 2a41 s ASP 201 Cb -0.52 -2.31 0.40 0.00 -0.30 0.00 0.00 42.92 40.19 2a41 s ASP 201 CO 0.53 -0.72 1.34 0.35 -0.17 0.00 0.00 175.17 176.49 2a41 n THR 202 N 5.75 1.21 -4.04 1.71 -2.24 0.34 -4.83 114.28 112.19 2a41 n THR 202 Ca -0.02 -1.12 -0.35 0.00 -2.27 0.00 0.00 64.05 60.28 2a41 n THR 202 Cb 0.48 0.38 -0.07 0.00 -2.10 0.00 0.00 70.33 69.02 2a41 n THR 202 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2a41 s THR 203 N -1.28 5.09 -2.02 4.28 -4.23 -1.25 -1.60 115.64 114.64 2a41 s THR 203 Ca 0.31 -0.04 0.29 0.00 -1.18 0.00 0.00 61.69 61.07 2a41 s THR 203 Cb 0.18 -3.23 0.81 0.00 1.34 0.00 0.00 72.50 71.59 2a41 s THR 203 CO 0.18 0.54 2.10 0.00 -0.54 0.00 0.00 174.62 176.90 2a41 n ALA 204 N 1.79 2.67 -2.07 3.99 0.00 0.45 -4.76 120.51 122.57 2a41 n ALA 204 Ca -0.18 -0.19 -0.19 0.00 0.00 0.00 0.00 53.44 52.88 2a41 n ALA 204 Cb 0.54 -1.46 0.02 0.00 0.00 0.00 0.00 19.45 18.55 2a41 n ALA 204 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2a41 s THR 205 N -2.00 2.56 0.63 0.00 -4.23 -1.26 -4.80 115.64 106.55 2a41 s THR 205 Ca 0.43 -1.08 0.17 0.00 -1.18 0.00 0.00 61.69 60.03 2a41 s THR 205 Cb 0.20 -2.64 0.23 0.00 1.34 0.00 0.00 72.50 71.62 2a41 s THR 205 CO 0.33 0.00 1.30 0.28 -0.54 0.00 0.00 174.62 175.99 2a41 h SER 206 N 0.54 0.00 -4.07 3.99 0.02 -1.98 -3.43 113.55 108.62 2a41 h SER 206 Ca -0.36 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.14 2a41 h SER 206 Cb 1.28 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.81 2a41 h SER 206 CO 0.46 0.00 0.35 0.42 -1.14 0.00 0.00 176.83 176.92 2a41 s THR 207 N -4.25 4.31 -0.97 -2.27 -4.23 -1.26 -5.01 115.64 101.96 2a41 s THR 207 Ca -0.02 1.43 -0.08 0.00 -1.18 0.00 0.00 61.69 61.84 2a41 s THR 207 Cb 0.08 -3.58 0.24 0.00 1.34 0.00 0.00 72.50 70.58 2a41 s THR 207 CO 0.27 -0.32 0.91 0.21 -0.54 0.00 0.00 174.62 175.16 2a41 s ASN 208 N -2.17 6.77 -0.07 3.99 2.47 -1.26 -4.65 114.94 120.01 2a41 s ASN 208 Ca 0.63 -3.35 0.01 0.00 0.42 0.00 0.00 52.86 50.57 2a41 s ASN 208 Cb -0.10 -2.12 0.02 0.00 -1.45 0.00 0.00 41.25 37.59 2a41 s ASN 208 CO 0.14 -0.34 -0.09 0.00 -3.72 0.00 0.00 177.10 173.09 2a41 n ALA 210 N 4.15 5.65 -0.01 0.00 0.00 -0.60 -0.50 120.51 129.20 2a41 n ALA 210 Ca -0.21 -3.51 -0.17 0.00 0.00 0.00 0.00 53.44 49.55 2a41 n ALA 210 Cb 0.51 -3.46 -0.09 0.00 0.00 0.00 0.00 19.45 16.41 2a41 n ALA 210 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 2a41 h TYR 211 N 6.07 0.80 -3.01 0.00 0.05 -1.84 -3.35 116.97 115.69 2a41 h TYR 211 Ca 0.62 -0.39 -0.61 0.00 0.05 0.00 0.00 58.73 58.40 2a41 h TYR 211 Cb 0.50 -0.11 -0.06 0.00 1.01 0.00 0.00 36.73 38.07 2a41 h TYR 211 CO 1.59 1.20 -0.24 -0.51 -1.05 0.00 0.00 178.16 179.15 2a41 s ASP 212 N -6.88 6.73 0.16 3.88 1.01 -1.26 -1.39 116.67 118.91 2a41 s ASP 212 Ca -0.12 0.87 0.01 0.00 0.71 0.00 0.00 52.55 54.01 2a41 s ASP 212 Cb 0.06 -2.23 -0.04 0.00 1.01 0.00 0.00 42.92 41.72 2a41 s ASP 212 CO 0.86 0.30 0.03 -0.13 0.21 0.00 0.00 175.17 176.43 2a41 s ARG 213 N -0.86 1.04 -0.07 8.23 1.81 -0.77 -4.91 118.95 123.41 2a41 s ARG 213 Ca 0.22 -1.50 -0.02 0.00 -1.72 0.00 0.00 55.73 52.71 2a41 s ARG 213 Cb -0.16 -0.06 0.03 0.00 -0.45 0.00 0.00 34.95 34.31 2a41 s ARG 213 CO 0.11 -0.19 0.04 0.42 -0.68 0.00 0.00 175.30 175.01 2a41 s ILE 214 N -3.81 0.11 -0.03 1.52 1.01 -1.26 -2.18 121.20 116.55 2a41 s ILE 214 Ca 0.24 0.20 0.07 0.00 0.00 0.00 0.00 60.65 61.15 2a41 s ILE 214 Cb 0.07 -0.39 -0.02 0.00 0.01 0.00 0.00 42.46 42.13 2a41 s ILE 214 CO 0.03 0.14 -0.22 -0.69 0.00 0.00 0.00 174.94 174.20 2a41 s VAL 215 N 2.08 2.36 -0.02 2.92 1.01 0.57 -1.24 120.40 128.07 2a41 s VAL 215 Ca 0.04 -0.99 0.06 0.00 0.00 0.00 0.00 61.98 61.09 2a41 s VAL 215 Cb -0.13 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 2a41 s VAL 215 CO -0.05 0.58 -0.19 0.68 0.00 0.00 0.00 175.10 176.12 2a41 s VAL 216 N -0.61 1.55 0.17 2.92 -7.23 -0.81 -0.28 120.40 116.11 2a41 s VAL 216 Ca 0.09 -0.83 0.11 0.00 -1.81 0.00 0.00 61.98 59.55 2a41 s VAL 216 Cb -0.10 -1.30 -0.04 0.00 0.56 0.00 0.00 36.38 35.50 2a41 s VAL 216 CO -0.00 0.44 -0.24 0.00 -0.31 0.00 0.00 175.10 174.99 2a41 s ALA 217 N -0.36 2.40 0.00 1.32 0.00 -0.05 -1.40 121.76 123.69 2a41 s ALA 217 Ca 0.05 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 50.45 2a41 s ALA 217 Cb -0.09 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.71 2a41 s ALA 217 CO -0.00 0.44 0.00 0.41 0.00 0.00 0.00 175.76 176.61 2a41 n GLY 218 N 0.50 0.98 0.26 0.00 0.00 -1.19 -1.68 105.19 104.07 2a41 n GLY 218 Ca -0.15 -1.27 0.02 0.00 0.00 0.00 0.00 46.02 44.63 2a41 n GLY 218 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2a41 h SER 219 N 0.00 0.36 0.76 1.61 0.02 -1.94 -0.46 113.55 113.91 2a41 h SER 219 Ca 0.00 0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 60.99 2a41 h SER 219 Cb 0.00 0.03 0.01 0.00 0.14 0.00 0.00 62.40 62.57 2a41 h SER 219 CO 0.00 0.19 -0.38 0.25 -1.14 0.00 0.00 176.83 175.75 2a41 h LEU 220 N 0.52 -0.92 0.09 5.07 5.85 -1.96 0.23 115.31 124.18 2a41 h LEU 220 Ca 0.36 0.04 0.02 0.00 0.84 0.00 0.00 57.88 59.14 2a41 h LEU 220 Cb 0.45 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 2a41 h LEU 220 CO -0.32 -0.64 -0.22 0.25 -0.34 0.00 0.00 178.44 177.17 2a41 h LEU 221 N -1.05 -0.63 -0.75 2.25 5.85 -1.80 -1.62 115.31 117.56 2a41 h LEU 221 Ca -0.10 0.08 0.17 0.00 0.84 0.00 0.00 57.88 58.86 2a41 h LEU 221 Cb 0.81 0.24 -0.12 0.00 0.37 0.00 0.00 40.66 41.97 2a41 h LEU 221 CO 0.16 -0.30 0.15 1.56 -0.34 0.00 0.00 178.44 179.67 2a41 h GLN 222 N -0.40 0.22 0.00 1.25 4.20 -1.02 0.22 115.11 119.58 2a41 h GLN 222 Ca 0.04 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2a41 h GLN 222 Cb 0.43 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.16 2a41 h GLN 222 CO -0.14 0.15 0.00 -1.13 -0.67 0.00 0.00 178.83 177.03 2a41 n SER 223 N -5.20 0.00 -0.00 1.46 3.41 0.79 -2.24 113.62 111.84 2a41 n SER 223 Ca 0.15 -1.75 0.04 0.00 -0.26 0.00 0.00 58.87 57.05 2a41 n SER 223 Cb 0.48 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.37 2a41 n SER 223 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2a41 n SER 224 N -0.58 2.21 -4.72 4.04 2.88 0.74 -4.98 113.62 113.22 2a41 n SER 224 Ca 0.03 -0.20 -0.42 0.00 -1.33 0.00 0.00 58.87 56.95 2a41 n SER 224 Cb 0.02 1.29 -0.03 0.00 -0.75 0.00 0.00 64.21 64.74 2a41 n SER 224 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2a41 s VAL 225 N -2.39 2.28 -0.25 2.46 1.01 -0.95 0.52 120.40 123.09 2a41 s VAL 225 Ca -0.01 0.19 -0.29 0.00 0.00 0.00 0.00 61.98 61.87 2a41 s VAL 225 Cb 0.06 -3.12 -0.01 0.00 0.00 0.00 0.00 36.38 33.31 2a41 s VAL 225 CO 0.37 0.01 1.32 -0.69 0.00 0.00 0.00 175.10 176.11 2a41 s VAL 226 N 1.22 4.15 0.19 2.92 1.01 0.15 -4.86 120.40 125.19 2a41 s VAL 226 Ca 0.73 1.33 -0.33 0.00 0.00 0.00 0.00 61.98 63.71 2a41 s VAL 226 Cb -0.47 -4.06 -0.14 0.00 0.00 0.00 0.00 36.38 31.71 2a41 s VAL 226 CO 0.32 -0.34 1.47 -2.65 0.00 0.00 0.00 175.10 173.89 2a41 n PRO 227 N 7.10 1.96 -0.95 2.72 -0.02 -1.26 -1.61 135.00 142.95 2a41 n PRO 227 Ca 0.15 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 2a41 n PRO 227 Cb 0.46 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 2a41 n PRO 227 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a41 n GLY 228 N 2.76 0.84 0.02 -1.23 0.00 -1.26 -4.90 105.19 101.42 2a41 n GLY 228 Ca 0.15 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.30 2a41 n GLY 228 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2a41 n SER 229 N -0.01 0.21 -4.62 1.61 3.41 -0.63 -4.78 113.62 108.79 2a41 n SER 229 Ca 0.00 0.05 -0.39 0.00 -0.26 0.00 0.00 58.87 58.26 2a41 n SER 229 Cb 0.01 -0.22 -0.08 0.00 -0.26 0.00 0.00 64.21 63.66 2a41 n SER 229 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2a41 s ALA 230 N -2.85 3.58 0.04 7.33 0.00 -1.26 -4.30 121.76 124.30 2a41 s ALA 230 Ca 0.18 -0.62 -0.27 0.00 0.00 0.00 0.00 51.96 51.25 2a41 s ALA 230 Cb 0.19 -2.82 0.07 0.00 0.00 0.00 0.00 23.12 20.56 2a41 s ALA 230 CO 0.55 -0.65 0.63 0.00 0.00 0.00 0.00 175.76 176.29 2a41 s ALA 231 N 2.09 -1.65 0.61 0.00 0.00 -0.97 -4.84 121.76 117.00 2a41 s ALA 231 Ca 0.20 0.93 -0.17 0.00 0.00 0.00 0.00 51.96 52.91 2a41 s ALA 231 Cb -0.16 0.37 -0.02 0.00 0.00 0.00 0.00 23.12 23.31 2a41 s ALA 231 CO 0.09 -0.53 1.16 -1.25 0.00 0.00 0.00 175.76 175.23 2a41 s PRO 232 N -2.26 2.95 -0.48 0.00 0.04 -1.26 -1.50 135.00 132.49 2a41 s PRO 232 Ca -0.06 1.63 -0.07 0.00 0.04 0.00 0.00 61.00 62.54 2a41 s PRO 232 Cb -0.00 -1.95 0.12 0.00 0.04 0.00 0.00 34.50 32.71 2a41 s PRO 232 CO 0.00 -1.18 0.33 0.12 0.04 0.00 0.00 177.00 176.31 2a41 s PHE 233 N -1.90 3.48 -0.74 0.56 5.36 0.78 -4.89 117.98 120.63 2a41 s PHE 233 Ca 0.73 -2.07 -0.26 0.00 -0.96 0.00 0.00 56.93 54.37 2a41 s PHE 233 Cb -0.25 -3.42 0.01 0.00 -0.34 0.00 0.00 43.02 39.01 2a41 s PHE 233 CO 0.35 -0.98 1.55 0.34 -1.46 0.00 0.00 175.22 175.02 2a41 s ASP 234 N 2.33 5.81 0.08 6.13 -1.08 -1.26 -4.05 116.67 124.62 2a41 s ASP 234 Ca 0.07 -0.31 0.25 0.00 -0.52 0.00 0.00 52.55 52.05 2a41 s ASP 234 Cb -0.25 -2.55 1.00 0.00 -1.46 0.00 0.00 42.92 39.67 2a41 s ASP 234 CO -0.02 -2.06 1.79 2.22 0.52 0.00 0.00 175.17 177.62 2a41 n PHE 235 N 10.86 0.31 -0.03 -5.34 1.16 -1.26 -1.32 117.46 121.84 2a41 n PHE 235 Ca 0.15 0.10 -0.14 0.00 -1.87 0.00 0.00 57.45 55.70 2a41 n PHE 235 Cb 0.50 -0.66 -0.10 0.00 -1.61 0.00 0.00 39.48 37.61 2a41 n PHE 235 CO 0.00 0.00 0.00 0.37 -1.87 0.00 0.00 176.76 175.26 2a41 h GLN 236 N 0.00 0.09 0.04 3.97 4.15 -1.93 -2.08 115.11 119.35 2a41 h GLN 236 Ca 0.00 -0.07 0.01 0.00 0.77 0.00 0.00 58.65 59.36 2a41 h GLN 236 Cb 0.51 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.19 2a41 h GLN 236 CO 0.00 0.69 -0.09 0.00 -1.93 0.00 0.00 178.83 177.50 2a41 h ALA 237 N 0.40 -0.13 -0.91 3.38 0.00 -1.87 -0.58 119.26 119.56 2a41 h ALA 237 Ca -0.00 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.03 2a41 h ALA 237 Cb 0.70 0.14 -0.09 0.00 0.00 0.00 0.00 17.79 18.54 2a41 h ALA 237 CO 0.02 -0.59 0.53 0.00 0.00 0.00 0.00 179.25 179.20 2a41 h ALA 238 N 0.77 1.38 -0.30 0.00 0.00 -1.20 -2.49 119.26 117.41 2a41 h ALA 238 Ca 0.02 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2a41 h ALA 238 Cb 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2a41 h ALA 238 CO -0.06 0.06 0.00 0.66 0.00 0.00 0.00 179.25 179.91 2a41 n TYR 239 N -4.75 0.40 -3.63 0.00 0.53 -0.79 -4.99 117.16 103.92 2a41 n TYR 239 Ca 0.18 -0.32 -0.24 0.00 -1.02 0.00 0.00 57.90 56.50 2a41 n TYR 239 Cb 0.39 -0.01 0.04 0.00 -1.03 0.00 0.00 39.34 38.72 2a41 n TYR 239 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2a41 n GLY 240 N 0.86 -0.68 3.87 2.72 0.00 -0.44 -5.00 105.19 106.52 2a41 n GLY 240 Ca 0.13 0.32 -0.31 0.00 0.00 0.00 0.00 46.02 46.16 2a41 n GLY 240 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a41 s LEU 241 N -6.41 3.99 0.90 0.99 1.43 -0.35 -5.04 118.68 114.20 2a41 s LEU 241 Ca 0.24 1.06 -0.12 0.00 -1.03 0.00 0.00 54.13 54.29 2a41 s LEU 241 Cb -0.07 -3.89 0.13 0.00 0.03 0.00 0.00 46.19 42.39 2a41 s LEU 241 CO 0.82 -0.25 1.09 -0.94 0.23 0.00 0.00 176.35 177.30 2a41 s SER 242 N -2.77 3.44 0.17 2.29 1.04 -1.26 -4.87 113.70 111.75 2a41 s SER 242 Ca 0.50 1.39 -0.06 0.00 0.48 0.00 0.00 55.95 58.26 2a41 s SER 242 Cb -0.10 -2.07 0.05 0.00 0.10 0.00 0.00 66.02 64.00 2a41 s SER 242 CO 0.25 -2.64 1.48 -1.13 0.98 0.00 0.00 173.24 172.18 2a41 h ASN 243 N -1.55 0.74 -0.76 7.02 -0.73 -1.99 -2.53 115.58 115.78 2a41 h ASN 243 Ca -0.50 -0.39 0.14 0.00 1.87 0.00 0.00 56.30 57.42 2a41 h ASN 243 Cb 1.29 -0.21 -0.09 0.00 0.27 0.00 0.00 38.32 39.57 2a41 h ASN 243 CO 0.56 1.13 0.31 -0.33 -0.37 0.00 0.00 177.43 178.73 2a41 h GLU 244 N 0.52 0.44 -0.18 6.67 3.07 -1.99 0.24 114.58 123.35 2a41 h GLU 244 Ca 0.02 -0.03 -0.19 0.00 -0.50 0.00 0.00 59.36 58.66 2a41 h GLU 244 Cb 1.09 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.90 2a41 h GLU 244 CO 0.11 0.29 -0.66 1.98 -1.40 0.00 0.00 179.01 179.32 2a41 h MET 245 N 0.45 0.68 0.09 2.33 4.05 -1.91 -2.30 114.93 118.33 2a41 h MET 245 Ca 0.42 -0.50 0.00 0.00 -0.28 0.00 0.00 59.70 59.34 2a41 h MET 245 Cb 0.63 0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.51 2a41 h MET 245 CO -0.40 1.12 -0.08 0.00 0.23 0.00 0.00 176.91 177.77 2a41 h ALA 246 N 0.76 -0.16 -0.13 0.39 0.00 -0.90 -2.70 119.26 116.52 2a41 h ALA 246 Ca -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2a41 h ALA 246 Cb 1.26 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 2a41 h ALA 246 CO 0.13 -0.60 0.02 -0.07 0.00 0.00 0.00 179.25 178.73 2a41 h LEU 247 N -0.19 0.15 -0.80 0.00 4.07 -0.98 -0.66 115.31 116.91 2a41 h LEU 247 Ca 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.95 2a41 h LEU 247 Cb 0.18 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 41.88 2a41 h LEU 247 CO -0.02 0.17 0.00 0.00 -1.08 0.00 0.00 178.44 177.51 2a41 h ALA 248 N 1.86 1.00 0.00 1.53 0.00 -1.09 -3.21 119.26 119.35 2a41 h ALA 248 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2a41 h ALA 248 Cb 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2a41 h ALA 248 CO -0.00 0.00 -0.31 0.82 0.00 0.00 0.00 179.25 179.76 2a41 h ILE 249 N 0.00 0.29 -2.91 0.00 2.04 -0.92 -3.50 117.51 112.51 2a41 h ILE 249 Ca 0.00 -1.27 0.08 0.00 1.00 0.00 0.00 64.86 64.67 2a41 h ILE 249 Cb 0.49 0.61 -0.06 0.00 -0.74 0.00 0.00 36.82 37.12 2a41 h ILE 249 CO 0.00 0.10 0.26 -0.55 0.00 0.00 0.00 178.15 177.96 2a41 s SER 250 N -5.82 -0.27 0.00 1.72 0.15 -0.85 -4.19 113.70 104.43 2a41 s SER 250 Ca -0.10 -0.53 0.22 0.00 0.70 0.00 0.00 55.95 56.23 2a41 s SER 250 Cb 0.01 0.69 0.60 0.00 -1.71 0.00 0.00 66.02 65.61 2a41 s SER 250 CO 0.22 -1.26 1.50 -0.90 1.20 0.00 0.00 173.24 174.00 2a41 n ASP 251 N -0.45 3.69 -4.29 5.45 5.75 -1.26 -4.02 116.55 121.41 2a41 n ASP 251 Ca -0.05 -2.00 -0.25 0.00 -0.01 0.00 0.00 54.79 52.48 2a41 n ASP 251 Cb 0.60 -0.45 -0.13 0.00 -1.03 0.00 0.00 41.12 40.11 2a41 n ASP 251 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 2a41 s HIS 252 N -1.11 1.87 0.36 2.11 3.76 -1.26 -0.41 115.29 120.61 2a41 s HIS 252 Ca 0.46 -0.40 -0.20 0.00 -0.15 0.00 0.00 55.06 54.76 2a41 s HIS 252 Cb 0.24 -1.05 -0.10 0.00 1.11 0.00 0.00 32.58 32.78 2a41 s HIS 252 CO 0.32 0.20 0.87 0.71 -0.85 0.00 0.00 174.74 175.99 2a41 s TYR 253 N -1.06 3.43 0.60 1.40 2.02 -0.62 -4.70 117.35 118.41 2a41 s TYR 253 Ca 0.08 1.52 -0.20 0.00 -0.37 0.00 0.00 57.07 58.10 2a41 s TYR 253 Cb -0.10 -2.76 -0.03 0.00 -0.40 0.00 0.00 41.96 38.67 2a41 s TYR 253 CO 0.04 0.04 1.32 -2.30 -1.57 0.00 0.00 175.55 173.08 2a41 n PRO 254 N -0.22 1.39 -4.51 -1.71 -0.02 -1.26 -4.67 135.00 124.00 2a41 n PRO 254 Ca 0.04 0.53 -0.34 0.00 -2.02 0.00 0.00 63.50 61.71 2a41 n PRO 254 Cb 0.53 -2.55 -0.11 0.00 -0.02 0.00 0.00 33.50 31.35 2a41 n PRO 254 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2a41 s VAL 255 N -1.34 3.96 0.14 -1.45 -7.23 -0.25 -0.16 120.40 114.08 2a41 s VAL 255 Ca 0.77 -0.38 0.04 0.00 -1.81 0.00 0.00 61.98 60.60 2a41 s VAL 255 Cb -0.40 -2.64 -0.04 0.00 0.56 0.00 0.00 36.38 33.86 2a41 s VAL 255 CO 0.45 0.60 -0.10 -1.83 -0.31 0.00 0.00 175.10 173.91 2a41 s GLU 256 N -0.78 1.02 0.08 4.82 -1.05 -0.56 -1.09 118.70 121.14 2a41 s GLU 256 Ca 0.12 -1.42 -0.08 0.00 -0.15 0.00 0.00 54.97 53.44 2a41 s GLU 256 Cb -0.11 -0.56 -0.01 0.00 -0.44 0.00 0.00 34.13 33.01 2a41 s GLU 256 CO 0.02 0.06 0.17 0.54 0.95 0.00 0.00 175.26 177.00 2a41 s VAL 257 N -3.33 0.15 -0.08 1.83 0.11 -0.34 -2.29 120.40 116.45 2a41 s VAL 257 Ca 0.15 -1.24 0.04 0.00 -2.93 0.00 0.00 61.98 58.00 2a41 s VAL 257 Cb 0.03 -1.35 0.00 0.00 -1.53 0.00 0.00 36.38 33.52 2a41 s VAL 257 CO -0.00 -0.69 -0.20 -0.89 -3.33 0.00 0.00 175.10 169.99 2a41 s THR 258 N -3.86 1.70 0.08 5.04 2.01 -1.26 -1.33 115.64 118.03 2a41 s THR 258 Ca 0.05 -0.83 0.01 0.00 0.31 0.00 0.00 61.69 61.24 2a41 s THR 258 Cb 0.05 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 71.04 2a41 s THR 258 CO -0.11 0.48 0.19 -0.76 -0.69 0.00 0.00 174.62 173.73 2a41 s LEU 259 N 0.34 4.20 0.00 4.42 1.43 0.06 0.33 118.68 129.46 2a41 s LEU 259 Ca -0.14 0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 2a41 s LEU 259 Cb -0.16 -2.82 0.00 0.00 0.03 0.00 0.00 46.19 43.24 2a41 s LEU 259 CO 0.06 0.15 0.24 1.07 0.23 0.00 0.00 176.35 178.10