#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abe n GLY 12 N 0.00 -0.39 0.11 7.13 0.00 -1.26 0.76 105.19 111.54 3abe n GLY 12 Ca 0.00 0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 3abe n GLY 12 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3abe h GLN 13 N 0.00 -0.16 -0.67 1.61 4.20 -1.95 -3.16 115.11 114.99 3abe h GLN 13 Ca 0.03 0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.69 3abe h GLN 13 Cb 1.55 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 29.34 3abe h GLN 13 CO -0.00 0.23 0.16 -0.39 -0.67 0.00 0.00 178.83 178.17 3abe h VAL 14 N -0.61 1.25 -1.04 -0.54 -1.51 -0.10 -0.43 116.25 113.28 3abe h VAL 14 Ca -0.02 -0.93 0.28 0.00 -1.23 0.00 0.00 66.70 64.80 3abe h VAL 14 Cb 0.47 0.57 -0.07 0.00 -2.13 0.00 0.00 31.29 30.13 3abe h VAL 14 CO 0.03 0.36 0.70 0.58 -1.23 0.00 0.00 177.57 178.00 3abe h VAL 15 N 1.00 0.52 0.03 7.19 2.07 -1.66 -0.41 116.25 124.99 3abe h VAL 15 Ca 0.21 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.64 3abe h VAL 15 Cb 0.35 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 3abe h VAL 15 CO 0.00 0.05 -0.01 0.00 0.02 0.00 0.00 177.57 177.62 3abe h ALA 16 N 1.56 -0.04 -0.84 1.67 0.00 -1.05 -1.93 119.26 118.63 3abe h ALA 16 Ca 0.55 -0.29 0.17 0.00 0.00 0.00 0.00 54.91 55.34 3abe h ALA 16 Cb 1.67 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 19.37 3abe h ALA 16 CO -0.18 -0.22 0.38 -0.44 0.00 0.00 0.00 179.25 178.80 3abe h ASP 17 N -0.65 0.39 0.97 0.00 3.32 -0.72 0.42 116.42 120.15 3abe h ASP 17 Ca -0.00 0.12 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 3abe h ASP 17 Cb 0.59 0.07 0.01 0.00 0.22 0.00 0.00 39.33 40.22 3abe h ASP 17 CO 0.01 0.12 -0.46 0.58 -1.72 0.00 0.00 179.24 177.76 3abe h VAL 18 N 0.50 0.02 -0.82 -1.35 2.07 -1.07 0.39 116.25 115.99 3abe h VAL 18 Ca 0.48 -0.04 0.15 0.00 0.82 0.00 0.00 66.70 68.11 3abe h VAL 18 Cb 0.77 0.02 -0.10 0.00 -1.52 0.00 0.00 31.29 30.46 3abe h VAL 18 CO -0.42 0.00 0.38 -0.07 0.02 0.00 0.00 177.57 177.47 3abe h LEU 19 N -1.33 0.41 -0.30 2.57 3.38 -0.69 0.52 115.31 119.86 3abe h LEU 19 Ca -0.13 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3abe h LEU 19 Cb 1.00 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 3abe h LEU 19 CO 0.22 0.15 0.06 0.00 0.09 0.00 0.00 178.44 178.96 3abe h GLU 21 N 0.33 0.44 0.63 0.00 4.81 0.91 -1.82 114.58 119.88 3abe h GLU 21 Ca 0.09 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 3abe h GLU 21 Cb 0.31 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.60 3abe h GLU 21 CO 0.00 0.29 -0.33 0.35 -0.73 0.00 0.00 179.01 178.59 3abe h PHE 22 N 0.45 -0.87 -0.43 0.92 3.57 0.35 -2.92 116.94 118.02 3abe h PHE 22 Ca 0.20 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.68 3abe h PHE 22 Cb 0.10 0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 3abe h PHE 22 CO -0.10 -0.52 0.28 -0.07 -2.23 0.00 0.00 178.31 175.66 3abe h LEU 23 N -0.89 0.50 -0.22 0.59 3.38 -0.45 0.25 115.31 118.48 3abe h LEU 23 Ca -0.08 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.91 3abe h LEU 23 Cb 0.70 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 3abe h LEU 23 CO 0.12 0.37 -0.03 -0.08 0.09 0.00 0.00 178.44 178.91 3abe h GLU 24 N 0.59 0.02 -0.11 1.13 4.81 -1.18 -0.33 114.58 119.50 3abe h GLU 24 Ca 0.16 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 3abe h GLU 24 Cb -0.05 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 3abe h GLU 24 CO -0.03 0.02 -0.03 0.28 -0.73 0.00 0.00 179.01 178.52 3abe h VAL 25 N 0.03 1.29 -0.77 0.32 2.07 -0.38 -2.62 116.25 116.18 3abe h VAL 25 Ca 0.10 -0.95 0.18 0.00 0.82 0.00 0.00 66.70 66.85 3abe h VAL 25 Cb 0.15 1.70 -0.12 0.00 -1.52 0.00 0.00 31.29 31.49 3abe h VAL 25 CO -0.20 0.27 0.11 0.00 0.02 0.00 0.00 177.57 177.77 3abe h ALA 26 N 0.69 0.94 -0.12 1.67 0.00 -1.00 0.79 119.26 122.23 3abe h ALA 26 Ca 0.03 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3abe h ALA 26 Cb 0.44 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3abe h ALA 26 CO 0.01 -0.40 0.04 0.28 0.00 0.00 0.00 179.25 179.18 3abe h VAL 27 N 0.18 1.18 -0.54 0.00 2.07 -0.71 0.23 116.25 118.66 3abe h VAL 27 Ca 0.44 -0.54 0.09 0.00 0.82 0.00 0.00 66.70 67.51 3abe h VAL 27 Cb 0.79 1.31 -0.08 0.00 -1.52 0.00 0.00 31.29 31.80 3abe h VAL 27 CO -0.60 0.16 0.12 0.45 0.02 0.00 0.00 177.57 177.72 3abe h HIS 28 N 0.01 0.19 -0.76 1.57 3.86 -0.88 -1.41 115.15 117.74 3abe h HIS 28 Ca 0.04 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.25 3abe h HIS 28 Cb 0.22 -0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.65 3abe h HIS 28 CO -0.00 -0.00 0.34 1.25 0.86 0.00 0.00 177.93 180.37 3abe h LEU 29 N 0.26 1.02 -1.65 2.43 5.85 -0.26 -2.65 115.31 120.31 3abe h LEU 29 Ca 0.28 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 3abe h LEU 29 Cb 0.38 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3abe h LEU 29 CO -0.35 0.89 0.07 0.40 -0.34 0.00 0.00 178.44 179.11 3abe h ILE 30 N 1.08 1.10 -0.08 4.05 2.04 0.37 0.57 117.51 126.64 3abe h ILE 30 Ca 0.26 -0.32 -0.14 0.00 1.00 0.00 0.00 64.86 65.65 3abe h ILE 30 Cb 0.16 0.86 0.01 0.00 -0.74 0.00 0.00 36.82 37.11 3abe h ILE 30 CO -0.03 0.12 -0.51 -0.07 0.00 0.00 0.00 178.15 177.66 3abe h LEU 31 N 0.30 0.59 0.49 1.44 3.38 -1.05 -0.80 115.31 119.67 3abe h LEU 31 Ca 0.08 -0.66 -0.02 0.00 0.09 0.00 0.00 57.88 57.36 3abe h LEU 31 Cb 0.09 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3abe h LEU 31 CO -0.01 1.16 -0.24 0.22 0.09 0.00 0.00 178.44 179.67 3abe h TYR 32 N 0.06 -0.61 -1.00 1.13 3.20 -1.11 0.54 116.97 119.18 3abe h TYR 32 Ca -0.04 -0.01 0.28 0.00 3.14 0.00 0.00 58.73 62.09 3abe h TYR 32 Cb 1.17 0.20 -0.05 0.00 1.54 0.00 0.00 36.73 39.59 3abe h TYR 32 CO 0.12 -0.38 0.71 0.28 -1.64 0.00 0.00 178.16 177.24 3abe h VAL 33 N -0.70 0.52 -0.64 1.81 2.07 -0.95 0.30 116.25 118.66 3abe h VAL 33 Ca -0.07 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.42 3abe h VAL 33 Cb 0.51 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3abe h VAL 33 CO 0.11 0.01 0.00 0.54 0.02 0.00 0.00 177.57 178.26 3abe n ARG 34 N -4.30 3.78 -4.27 1.57 5.12 -0.31 -4.79 116.66 113.45 3abe n ARG 34 Ca 0.21 -2.85 -0.34 0.00 -1.93 0.00 0.00 57.85 52.94 3abe n ARG 34 Cb 1.01 -1.92 -0.08 0.00 -1.16 0.00 0.00 32.46 30.32 3abe n ARG 34 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3abe n GLU 35 N 1.11 -0.87 0.12 5.56 1.02 0.11 -4.84 120.64 122.84 3abe n GLU 35 Ca 0.26 0.09 -0.02 0.00 -0.02 0.00 0.00 57.16 57.47 3abe n GLU 35 Cb 0.90 -3.42 0.08 0.00 -0.02 0.00 0.00 31.44 28.98 3abe n GLU 35 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3abe h VAL 36 N -1.94 1.45 -3.70 2.62 2.07 -0.13 -3.44 116.25 113.19 3abe h VAL 36 Ca -0.67 -2.52 -0.43 0.00 0.82 0.00 0.00 66.70 63.90 3abe h VAL 36 Cb 1.40 2.38 -0.19 0.00 -1.52 0.00 0.00 31.29 33.36 3abe h VAL 36 CO 0.68 0.71 -0.77 -0.31 0.02 0.00 0.00 177.57 177.89 3abe s TYR 37 N -3.26 1.41 0.60 1.57 2.02 -1.24 -4.84 117.35 113.61 3abe s TYR 37 Ca -0.00 -0.51 -0.18 0.00 -0.37 0.00 0.00 57.07 56.01 3abe s TYR 37 Cb 0.11 -0.75 -0.07 0.00 -0.40 0.00 0.00 41.96 40.85 3abe s TYR 37 CO 0.77 0.14 0.64 -2.30 -1.57 0.00 0.00 175.55 173.23 3abe n PRO 38 N 0.77 0.58 0.25 -1.71 -0.02 -1.26 -4.75 135.00 128.86 3abe n PRO 38 Ca -0.17 0.23 0.13 0.00 -2.02 0.00 0.00 63.50 61.67 3abe n PRO 38 Cb 0.56 -1.84 0.58 0.00 -0.02 0.00 0.00 33.50 32.79 3abe n PRO 38 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3abe h VAL 39 N 0.22 0.37 0.00 -1.45 2.07 -1.96 -3.18 116.25 112.32 3abe h VAL 39 Ca -0.46 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.23 3abe h VAL 39 Cb 1.39 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.77 3abe h VAL 39 CO 0.47 0.13 0.00 1.23 0.02 0.00 0.00 177.57 179.43 3abe h GLY 40 N 1.85 0.00 0.33 2.17 0.00 -2.03 -2.34 103.07 103.05 3abe h GLY 40 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3abe h GLY 40 CO 0.02 0.00 -0.22 0.29 0.00 0.00 0.00 176.54 176.63 3abe n ILE 41 N -2.30 0.00 -3.96 2.60 -5.35 -1.20 -4.91 119.36 104.24 3abe n ILE 41 Ca 0.04 -0.12 -0.27 0.00 -0.27 0.00 0.00 62.75 62.13 3abe n ILE 41 Cb 0.36 0.32 -0.03 0.00 -1.74 0.00 0.00 39.64 38.54 3abe n ILE 41 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 3abe s PHE 42 N -2.48 3.44 0.08 4.28 0.08 -0.88 0.14 117.98 122.64 3abe s PHE 42 Ca 0.26 0.11 0.05 0.00 0.12 0.00 0.00 56.93 57.47 3abe s PHE 42 Cb 0.19 -1.65 -0.03 0.00 -0.57 0.00 0.00 43.02 40.96 3abe s PHE 42 CO 0.51 0.52 -0.14 -1.14 -0.10 0.00 0.00 175.22 174.87 3abe s GLN 43 N -3.14 0.87 -0.05 0.44 0.74 0.61 -4.90 119.66 114.22 3abe s GLN 43 Ca 0.34 -1.02 -0.26 0.00 0.05 0.00 0.00 55.36 54.47 3abe s GLN 43 Cb -0.11 -0.84 -0.03 0.00 1.10 0.00 0.00 33.01 33.12 3abe s GLN 43 CO 0.28 0.18 0.79 0.15 -0.55 0.00 0.00 175.29 176.14 3abe s LYS 44 N -1.97 4.47 0.10 1.67 1.02 -1.26 -1.65 119.74 122.12 3abe s LYS 44 Ca 0.01 1.05 0.00 0.00 0.02 0.00 0.00 55.97 57.05 3abe s LYS 44 Cb -0.09 -3.46 -0.00 0.00 -0.52 0.00 0.00 37.83 33.76 3abe s LYS 44 CO 0.02 0.01 0.02 0.54 -0.92 0.00 0.00 175.35 175.02 3abe n ARG 45 N 3.88 1.26 -3.75 1.68 1.74 0.15 -4.95 116.66 116.67 3abe n ARG 45 Ca 0.01 -0.75 -0.18 0.00 -0.77 0.00 0.00 57.85 56.16 3abe n ARG 45 Cb 0.51 0.31 -0.17 0.00 -1.02 0.00 0.00 32.46 32.09 3abe n ARG 45 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3abe s LYS 46 N -2.35 0.03 0.01 5.56 2.20 -1.25 -0.49 119.74 123.44 3abe s LYS 46 Ca 0.02 0.25 -0.01 0.00 -0.36 0.00 0.00 55.97 55.87 3abe s LYS 46 Cb 0.00 -0.43 -0.01 0.00 -1.51 0.00 0.00 37.83 35.87 3abe s LYS 46 CO 0.02 -0.24 0.01 0.15 -0.36 0.00 0.00 175.35 174.92 3abe s LYS 47 N 1.59 0.32 -1.18 4.03 -0.14 -0.28 -4.82 119.74 119.25 3abe s LYS 47 Ca -0.02 -0.51 -0.06 0.00 -1.36 0.00 0.00 55.97 54.01 3abe s LYS 47 Cb -0.13 0.12 0.01 0.00 -1.68 0.00 0.00 37.83 36.15 3abe s LYS 47 CO -0.03 -0.06 0.82 0.66 -0.76 0.00 0.00 175.35 175.99 3abe n TYR 48 N 1.70 -2.14 -4.39 3.18 4.01 -1.26 -1.38 117.16 116.88 3abe n TYR 48 Ca -0.23 0.71 -0.37 0.00 -0.16 0.00 0.00 57.90 57.85 3abe n TYR 48 Cb 0.56 -4.20 -0.08 0.00 -0.31 0.00 0.00 39.34 35.31 3abe n TYR 48 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3abe n ASN 49 N -2.08 -0.97 -3.91 7.72 3.02 -1.26 -4.74 115.26 113.04 3abe n ASN 49 Ca -0.03 -1.21 -0.10 0.00 -0.03 0.00 0.00 54.58 53.21 3abe n ASN 49 Cb 0.57 -1.85 -0.10 0.00 -0.61 0.00 0.00 39.78 37.79 3abe n ASN 49 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3abe s VAL 50 N -3.69 0.10 -0.16 2.41 1.01 -0.48 -5.13 120.40 114.46 3abe s VAL 50 Ca 0.49 -0.79 -0.29 0.00 0.00 0.00 0.00 61.98 61.38 3abe s VAL 50 Cb -0.28 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 3abe s VAL 50 CO 1.00 -0.43 1.67 -2.84 0.00 0.00 0.00 175.10 174.49 3abe s PRO 51 N -1.47 3.88 0.36 2.72 0.02 -1.26 -1.12 135.00 138.13 3abe s PRO 51 Ca -0.15 1.87 0.06 0.00 0.02 0.00 0.00 61.00 62.80 3abe s PRO 51 Cb -0.08 -4.04 -0.07 0.00 0.02 0.00 0.00 34.50 30.33 3abe s PRO 51 CO 0.00 -1.19 0.02 0.14 -0.33 0.00 0.00 177.00 175.64 3abe s VAL 52 N 5.00 1.65 -0.22 3.83 -7.23 0.35 -4.97 120.40 118.82 3abe s VAL 52 Ca 0.74 -2.02 -0.01 0.00 -1.81 0.00 0.00 61.98 58.88 3abe s VAL 52 Cb -0.28 -2.86 0.02 0.00 0.56 0.00 0.00 36.38 33.81 3abe s VAL 52 CO 0.30 -0.03 -0.11 -1.10 -0.31 0.00 0.00 175.10 173.84 3abe s GLN 53 N -3.78 3.00 0.19 4.82 -1.52 -1.26 -0.67 119.66 120.44 3abe s GLN 53 Ca 0.35 -0.85 0.10 0.00 -1.95 0.00 0.00 55.36 53.01 3abe s GLN 53 Cb 0.09 -2.83 -0.04 0.00 -0.22 0.00 0.00 33.01 30.01 3abe s GLN 53 CO 0.16 -0.28 -0.13 -1.64 -0.25 0.00 0.00 175.29 173.15 3abe s MET 54 N 1.34 1.93 -0.00 2.91 -1.94 -0.66 -3.56 119.30 119.32 3abe s MET 54 Ca 0.03 -1.35 -0.17 0.00 -1.71 0.00 0.00 55.69 52.49 3abe s MET 54 Cb -0.15 -2.08 -0.06 0.00 2.01 0.00 0.00 34.83 34.56 3abe s MET 54 CO -0.08 0.42 0.49 0.45 -0.01 0.00 0.00 175.02 176.29 3abe s SER 55 N -2.84 6.88 -0.32 3.03 0.15 -1.26 -0.29 113.70 119.05 3abe s SER 55 Ca 0.24 1.04 0.10 0.00 0.70 0.00 0.00 55.95 58.03 3abe s SER 55 Cb -0.08 -2.30 0.73 0.00 -1.71 0.00 0.00 66.02 62.66 3abe s SER 55 CO 0.14 0.23 1.78 0.00 1.20 0.00 0.00 173.24 176.59 3abe s HIS 57 N -3.01 3.23 0.23 0.00 5.04 -1.26 -4.97 115.29 114.54 3abe s HIS 57 Ca 0.54 -0.60 -0.07 0.00 -1.54 0.00 0.00 55.06 53.39 3abe s HIS 57 Cb 0.44 -2.49 0.21 0.00 0.04 0.00 0.00 32.58 30.77 3abe s HIS 57 CO 0.13 -0.53 1.87 -1.00 -2.34 0.00 0.00 174.74 172.86 3abe h PRO 58 N 8.51 1.23 -0.63 2.88 0.13 -1.98 -0.10 132.00 142.03 3abe h PRO 58 Ca -0.28 -0.12 -0.01 0.00 -0.87 0.00 0.00 66.00 64.71 3abe h PRO 58 Cb 1.13 -0.25 -0.03 0.00 0.13 0.00 0.00 31.00 31.98 3abe h PRO 58 CO 0.68 0.88 0.36 0.93 -0.23 0.00 0.00 178.00 180.61 3abe h GLU 59 N 1.24 0.87 -0.32 0.86 3.07 -1.98 0.88 114.58 119.20 3abe h GLU 59 Ca 0.32 -0.09 -0.08 0.00 -0.50 0.00 0.00 59.36 59.01 3abe h GLU 59 Cb -0.02 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 27.70 3abe h GLU 59 CO -0.06 0.65 -0.12 1.25 -1.40 0.00 0.00 179.01 179.33 3abe h LEU 60 N 0.86 0.54 -0.17 1.33 5.85 -1.58 -0.28 115.31 121.86 3abe h LEU 60 Ca 0.22 -0.14 -0.10 0.00 0.84 0.00 0.00 57.88 58.70 3abe h LEU 60 Cb 0.02 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 40.90 3abe h LEU 60 CO -0.04 0.70 -0.27 0.78 -0.34 0.00 0.00 178.44 179.27 3abe h ASN 61 N 0.51 0.53 -0.94 1.25 2.35 -0.70 -2.76 115.58 115.81 3abe h ASN 61 Ca 0.09 -0.53 0.05 0.00 -0.55 0.00 0.00 56.30 55.37 3abe h ASN 61 Cb 0.51 -0.15 -0.06 0.00 0.05 0.00 0.00 38.32 38.68 3abe h ASN 61 CO 0.03 0.95 0.62 -0.61 -1.65 0.00 0.00 177.43 176.77 3abe h GLN 62 N 0.11 1.10 -0.98 0.81 5.75 -0.58 0.15 115.11 121.48 3abe h GLN 62 Ca 0.01 -0.07 0.02 0.00 -0.15 0.00 0.00 58.65 58.47 3abe h GLN 62 Cb 0.84 -0.25 -0.05 0.00 1.07 0.00 0.00 27.48 29.09 3abe h GLN 62 CO 0.06 0.73 0.65 -0.92 -2.65 0.00 0.00 178.83 176.70 3abe h TYR 63 N 1.14 1.22 0.08 3.99 3.20 -0.92 0.92 116.97 126.60 3abe h TYR 63 Ca 0.39 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 62.14 3abe h TYR 63 Cb 0.10 -0.41 0.01 0.00 1.54 0.00 0.00 36.73 37.97 3abe h TYR 63 CO -0.00 0.74 -0.70 0.82 -1.64 0.00 0.00 178.16 177.38 3abe h ILE 64 N 1.29 1.47 -0.50 1.81 2.04 -0.88 -1.03 117.51 121.72 3abe h ILE 64 Ca 0.37 -2.43 0.10 0.00 1.00 0.00 0.00 64.86 63.90 3abe h ILE 64 Cb -0.09 3.10 -0.10 0.00 -0.74 0.00 0.00 36.82 38.98 3abe h ILE 64 CO -0.10 0.65 -0.28 -0.61 0.00 0.00 0.00 178.15 177.82 3abe h GLN 65 N -0.61 -0.15 -0.03 2.37 4.15 -1.00 -0.17 115.11 119.67 3abe h GLN 65 Ca -0.14 0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.31 3abe h GLN 65 Cb 1.43 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 29.13 3abe h GLN 65 CO 0.06 -0.10 -0.10 -0.44 -1.93 0.00 0.00 178.83 176.31 3abe h ASP 66 N -0.16 -0.31 -0.42 -0.69 3.32 -0.71 0.57 116.42 118.02 3abe h ASP 66 Ca 0.22 0.05 0.09 0.00 0.02 0.00 0.00 57.03 57.41 3abe h ASP 66 Cb 0.51 0.14 -0.09 0.00 0.22 0.00 0.00 39.33 40.11 3abe h ASP 66 CO -0.59 -0.15 -0.17 0.74 -1.72 0.00 0.00 179.24 177.35 3abe h THR 67 N -0.17 0.45 0.00 0.35 2.02 -0.61 -0.83 112.91 114.11 3abe h THR 67 Ca 0.05 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.16 3abe h THR 67 Cb 0.23 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 3abe h THR 67 CO -0.12 0.00 -0.35 -0.07 0.37 0.00 0.00 175.52 175.35 3abe h LEU 68 N -0.09 0.00 -1.32 2.58 3.38 -0.26 -2.57 115.31 117.04 3abe h LEU 68 Ca 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 3abe h LEU 68 Cb 0.40 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 3abe h LEU 68 CO -0.48 0.35 0.38 0.45 0.09 0.00 0.00 178.44 179.22 3abe h HIS 69 N 0.00 0.81 -0.16 1.13 3.86 0.15 -2.06 115.15 118.88 3abe h HIS 69 Ca -0.00 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.10 3abe h HIS 69 Cb 1.02 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 29.21 3abe h HIS 69 CO 0.00 0.54 -0.36 0.00 0.86 0.00 0.00 177.93 178.97 3abe h VAL 71 N 0.29 1.33 -0.27 0.00 2.07 -1.27 -3.35 116.25 115.05 3abe h VAL 71 Ca 0.03 -2.82 0.02 0.00 0.82 0.00 0.00 66.70 64.76 3abe h VAL 71 Cb 0.78 2.98 -0.03 0.00 -1.52 0.00 0.00 31.29 33.50 3abe h VAL 71 CO 0.06 0.84 -0.16 1.17 0.02 0.00 0.00 177.57 179.51 3abe n LYS 72 N -3.63 -0.12 0.17 1.57 4.81 -0.82 0.04 118.16 120.18 3abe n LYS 72 Ca -0.14 0.56 0.17 0.00 -0.87 0.00 0.00 58.31 58.02 3abe n LYS 72 Cb 1.07 -0.82 0.78 0.00 0.02 0.00 0.00 35.03 36.09 3abe n LYS 72 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 3abe h PRO 73 N 0.00 0.00 0.06 1.64 0.13 -1.75 0.10 132.00 132.19 3abe h PRO 73 Ca 0.04 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.91 3abe h PRO 73 Cb 0.11 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.22 3abe h PRO 73 CO -0.25 0.00 -1.31 -0.07 -0.23 0.00 0.00 178.00 176.14 3abe h LEU 74 N 0.00 0.21 -0.35 1.56 4.07 -0.61 -3.22 115.31 116.98 3abe h LEU 74 Ca 0.11 -0.27 0.04 0.00 0.08 0.00 0.00 57.88 57.84 3abe h LEU 74 Cb 0.57 -0.07 -0.04 0.00 1.08 0.00 0.00 40.66 42.20 3abe h LEU 74 CO -0.00 1.22 0.13 -0.07 -1.08 0.00 0.00 178.44 178.63 3abe h LEU 75 N 0.04 0.15 -0.83 1.67 3.38 0.00 -1.91 115.31 117.81 3abe h LEU 75 Ca -0.14 0.04 0.19 0.00 0.09 0.00 0.00 57.88 58.05 3abe h LEU 75 Cb 1.92 0.02 -0.12 0.00 0.09 0.00 0.00 40.66 42.57 3abe h LEU 75 CO 0.15 0.12 0.30 -0.33 0.09 0.00 0.00 178.44 178.77 3abe h GLU 76 N 0.28 0.35 -0.09 1.13 5.08 -1.35 0.23 114.58 120.20 3abe h GLU 76 Ca 0.16 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3abe h GLU 76 Cb 0.12 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3abe h GLU 76 CO -0.15 0.23 0.00 1.63 -1.00 0.00 0.00 179.01 179.72 3abe n LYS 77 N -5.08 1.50 -3.91 2.33 5.02 -0.84 -4.74 118.16 112.44 3abe n LYS 77 Ca 0.18 -0.74 -0.29 0.00 -2.02 0.00 0.00 58.31 55.44 3abe n LYS 77 Cb 0.55 -1.39 0.02 0.00 -0.02 0.00 0.00 35.03 34.20 3abe n LYS 77 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3abe n ASN 78 N -0.05 -4.02 0.10 4.39 5.15 0.80 -4.87 115.26 116.76 3abe n ASN 78 Ca 0.16 -0.81 0.09 0.00 -0.60 0.00 0.00 54.58 53.42 3abe n ASN 78 Cb 0.25 -3.80 -0.01 0.00 -0.53 0.00 0.00 39.78 35.70 3abe n ASN 78 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 3abe h ASP 79 N -2.01 0.00 -3.41 1.20 3.32 -1.59 -3.46 116.42 110.46 3abe h ASP 79 Ca -0.59 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 55.92 3abe h ASP 79 Cb 1.37 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.89 3abe h ASP 79 CO 0.66 0.13 0.29 -0.69 -1.72 0.00 0.00 179.24 177.91 3abe s VAL 80 N -3.25 4.87 -0.23 -1.35 1.01 -1.25 -0.24 120.40 119.96 3abe s VAL 80 Ca -0.00 1.88 -0.09 0.00 0.00 0.00 0.00 61.98 63.76 3abe s VAL 80 Cb 0.09 -4.24 -0.10 0.00 0.00 0.00 0.00 36.38 32.13 3abe s VAL 80 CO 0.79 0.21 -0.28 1.21 0.00 0.00 0.00 175.10 177.03 3abe n GLU 81 N 3.70 0.49 -4.49 2.72 2.13 0.77 -4.80 120.64 121.15 3abe n GLU 81 Ca 0.03 0.20 -0.24 0.00 0.66 0.00 0.00 57.16 57.81 3abe n GLU 81 Cb 0.51 -1.32 -0.13 0.00 0.27 0.00 0.00 31.44 30.76 3abe n GLU 81 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3abe s LYS 82 N -2.42 1.23 -0.23 5.31 1.02 -0.94 -0.99 119.74 122.73 3abe s LYS 82 Ca -0.31 -0.97 -0.02 0.00 0.02 0.00 0.00 55.97 54.69 3abe s LYS 82 Cb 0.11 -1.37 0.02 0.00 -0.52 0.00 0.00 37.83 36.08 3abe s LYS 82 CO 0.41 0.34 -0.08 0.08 -0.92 0.00 0.00 175.35 175.18 3abe s VAL 83 N -0.91 2.84 -0.18 3.17 1.01 -0.94 -0.64 120.40 124.75 3abe s VAL 83 Ca 0.06 -0.91 -0.04 0.00 0.00 0.00 0.00 61.98 61.09 3abe s VAL 83 Cb -0.09 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 3abe s VAL 83 CO 0.02 0.29 -0.03 -0.69 0.00 0.00 0.00 175.10 174.70 3abe s VAL 84 N 1.35 3.79 -0.10 2.92 1.01 -0.18 -1.27 120.40 127.92 3abe s VAL 84 Ca 0.02 -0.38 -0.20 0.00 0.00 0.00 0.00 61.98 61.42 3abe s VAL 84 Cb -0.16 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 3abe s VAL 84 CO -0.06 0.46 0.55 -0.69 0.00 0.00 0.00 175.10 175.37 3abe s VAL 85 N 0.75 5.14 -0.07 2.92 1.01 0.56 -1.06 120.40 129.65 3abe s VAL 85 Ca -0.01 1.11 0.04 0.00 0.00 0.00 0.00 61.98 63.12 3abe s VAL 85 Cb -0.14 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 3abe s VAL 85 CO 0.02 0.30 -0.20 -0.69 0.00 0.00 0.00 175.10 174.53 3abe s VAL 86 N 0.71 2.55 -0.22 2.92 1.01 -0.26 0.11 120.40 127.22 3abe s VAL 86 Ca 0.30 -0.89 -0.08 0.00 0.00 0.00 0.00 61.98 61.31 3abe s VAL 86 Cb -0.16 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 3abe s VAL 86 CO 0.13 0.57 0.08 -0.63 0.00 0.00 0.00 175.10 175.25 3abe s ILE 87 N -0.26 4.69 -0.03 2.22 -1.09 -0.78 -1.49 121.20 124.46 3abe s ILE 87 Ca 0.00 -0.06 0.07 0.00 -2.23 0.00 0.00 60.65 58.44 3abe s ILE 87 Cb -0.13 -3.16 -0.02 0.00 -1.58 0.00 0.00 42.46 37.57 3abe s ILE 87 CO 0.03 0.38 -0.24 -0.76 -1.23 0.00 0.00 174.94 173.12 3abe s LEU 88 N 1.06 2.16 0.00 2.97 1.43 0.42 0.12 118.68 126.84 3abe s LEU 88 Ca 0.05 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 3abe s LEU 88 Cb -0.14 -1.38 0.00 0.00 0.03 0.00 0.00 46.19 44.70 3abe s LEU 88 CO 0.03 0.32 0.00 -0.90 0.23 0.00 0.00 176.35 176.03 3abe n ASP 89 N 2.44 -0.14 0.04 2.29 3.85 -1.12 -0.23 116.55 123.67 3abe n ASP 89 Ca -0.16 -0.90 -0.10 0.00 -0.71 0.00 0.00 54.79 52.92 3abe n ASP 89 Cb 0.51 0.00 -0.04 0.00 -1.35 0.00 0.00 41.12 40.24 3abe n ASP 89 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.20 176.30 3abe h LYS 90 N 0.00 -0.21 0.00 0.11 1.57 -1.79 -2.95 116.57 113.31 3abe h LYS 90 Ca 0.00 0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 3abe h LYS 90 Cb 0.00 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3abe h LYS 90 CO 0.00 -0.14 -0.30 0.93 -0.57 0.00 0.00 179.45 179.37 3abe h GLU 91 N -0.22 0.00 0.00 3.15 3.07 -1.94 -3.46 114.58 115.18 3abe h GLU 91 Ca 0.06 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 3abe h GLU 91 Cb 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 3abe h GLU 91 CO -0.17 0.30 0.00 0.72 -1.40 0.00 0.00 179.01 178.46 3abe n HIS 92 N -4.11 0.00 -4.62 4.33 8.25 -1.11 -5.13 115.22 112.83 3abe n HIS 92 Ca -0.02 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.19 3abe n HIS 92 Cb 0.35 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.29 3abe n HIS 92 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3abe s ARG 93 N 0.19 1.84 0.00 -0.41 0.52 -1.26 -4.87 118.95 114.97 3abe s ARG 93 Ca 0.00 -0.46 -0.32 0.00 -0.52 0.00 0.00 55.73 54.44 3abe s ARG 93 Cb 0.00 -1.51 -0.10 0.00 0.52 0.00 0.00 34.95 33.86 3abe s ARG 93 CO 0.00 0.03 1.93 -2.30 0.02 0.00 0.00 175.30 174.98 3abe n PRO 94 N 3.83 2.63 -0.04 3.54 -0.02 -1.26 -2.80 135.00 140.88 3abe n PRO 94 Ca -0.22 0.96 -0.03 0.00 -2.02 0.00 0.00 63.50 62.19 3abe n PRO 94 Cb 0.52 -2.88 -0.01 0.00 -0.02 0.00 0.00 33.50 31.11 3abe n PRO 94 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3abe n VAL 95 N 5.33 0.70 -3.97 -1.45 0.31 0.33 -4.70 118.33 114.87 3abe n VAL 95 Ca 0.21 0.35 -0.22 0.00 -0.01 0.00 0.00 64.34 64.66 3abe n VAL 95 Cb 0.37 -1.92 -0.05 0.00 -0.91 0.00 0.00 33.84 31.33 3abe n VAL 95 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3abe s GLU 96 N -1.76 2.58 -0.07 5.55 2.02 -1.21 -0.51 118.70 125.30 3abe s GLU 96 Ca -0.11 -1.38 -0.03 0.00 0.02 0.00 0.00 54.97 53.47 3abe s GLU 96 Cb 0.01 -2.35 0.04 0.00 0.10 0.00 0.00 34.13 31.94 3abe s GLU 96 CO 0.16 0.14 0.16 0.15 0.02 0.00 0.00 175.26 175.88 3abe s LYS 97 N -3.91 0.10 -0.49 1.61 1.02 0.05 -1.86 119.74 116.26 3abe s LYS 97 Ca 0.39 0.42 -0.13 0.00 0.02 0.00 0.00 55.97 56.66 3abe s LYS 97 Cb -0.05 -0.19 0.11 0.00 -0.52 0.00 0.00 37.83 37.19 3abe s LYS 97 CO 0.25 -0.19 0.40 -0.06 -0.92 0.00 0.00 175.35 174.83 3abe s PHE 98 N 1.34 3.31 0.17 3.18 0.40 0.30 -2.16 117.98 124.52 3abe s PHE 98 Ca -0.08 -1.42 -0.26 0.00 -0.60 0.00 0.00 56.93 54.58 3abe s PHE 98 Cb -0.12 -3.45 -0.08 0.00 0.51 0.00 0.00 43.02 39.89 3abe s PHE 98 CO -0.06 -0.94 0.79 0.08 0.70 0.00 0.00 175.22 175.79 3abe s VAL 99 N 1.51 4.36 -0.24 -0.44 1.01 -0.54 -0.33 120.40 125.74 3abe s VAL 99 Ca 0.04 1.73 0.01 0.00 0.00 0.00 0.00 61.98 63.76 3abe s VAL 99 Cb -0.27 -4.15 0.06 0.00 0.00 0.00 0.00 36.38 32.03 3abe s VAL 99 CO 0.03 0.51 -0.03 -0.36 0.00 0.00 0.00 175.10 175.25 3abe s PHE 100 N -1.10 2.38 -0.05 5.22 0.40 -0.40 -2.73 117.98 121.71 3abe s PHE 100 Ca 0.36 -1.80 -0.20 0.00 -0.60 0.00 0.00 56.93 54.69 3abe s PHE 100 Cb -0.23 -1.65 -0.05 0.00 0.51 0.00 0.00 43.02 41.61 3abe s PHE 100 CO 0.27 -0.79 0.58 -2.00 0.70 0.00 0.00 175.22 173.98 3abe s GLU 101 N 1.40 4.34 -0.04 0.44 2.12 0.90 -2.21 118.70 125.65 3abe s GLU 101 Ca -0.04 0.67 0.03 0.00 0.36 0.00 0.00 54.97 55.99 3abe s GLU 101 Cb -0.19 -3.39 -0.03 0.00 0.26 0.00 0.00 34.13 30.78 3abe s GLU 101 CO -0.07 0.24 -0.09 0.42 -0.54 0.00 0.00 175.26 175.22 3abe s ILE 102 N 0.25 3.48 0.02 -3.70 1.01 -0.16 -1.03 121.20 121.06 3abe s ILE 102 Ca 0.31 -0.66 0.05 0.00 0.00 0.00 0.00 60.65 60.34 3abe s ILE 102 Cb -0.17 -2.44 -0.02 0.00 0.01 0.00 0.00 42.46 39.84 3abe s ILE 102 CO 0.15 0.52 -0.14 -0.89 0.00 0.00 0.00 174.94 174.58 3abe s THR 103 N -0.85 1.11 -0.03 2.92 2.01 0.16 -4.75 115.64 116.21 3abe s THR 103 Ca 0.14 -0.80 0.01 0.00 0.31 0.00 0.00 61.69 61.35 3abe s THR 103 Cb -0.11 -0.97 0.01 0.00 0.01 0.00 0.00 72.50 71.45 3abe s THR 103 CO 0.03 0.16 -0.05 -1.10 -0.69 0.00 0.00 174.62 172.97 3abe s GLN 104 N -0.74 0.64 0.00 4.92 -0.21 -1.26 -0.54 119.66 122.46 3abe s GLN 104 Ca 0.04 -0.14 0.00 0.00 0.02 0.00 0.00 55.36 55.28 3abe s GLN 104 Cb -0.07 -0.65 0.00 0.00 1.00 0.00 0.00 33.01 33.29 3abe s GLN 104 CO 0.00 0.01 0.00 -2.30 -2.12 0.00 0.00 175.29 170.88 3abe n PRO 105 N 3.58 0.00 -2.59 2.91 -0.02 -1.26 -5.06 135.00 132.56 3abe n PRO 105 Ca -0.21 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.09 3abe n PRO 105 Cb 0.54 -0.22 0.01 0.00 -0.02 0.00 0.00 33.50 33.81 3abe n PRO 105 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 3abe n ILE 110 N -0.50 1.66 -0.32 4.25 -6.64 -1.26 -5.12 119.36 111.43 3abe n ILE 110 Ca 0.00 -4.01 0.00 0.00 -1.77 0.00 0.00 62.75 56.97 3abe n ILE 110 Cb 0.00 -0.30 0.00 0.00 -1.44 0.00 0.00 39.64 37.90 3abe n ILE 110 CO 0.00 0.00 0.00 -0.24 -1.77 0.00 0.00 176.55 174.54 3abe n SER 111 N -0.26 -0.89 -0.58 7.28 2.88 -1.26 -5.07 113.62 115.72 3abe n SER 111 Ca 0.24 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 3abe n SER 111 Cb 0.74 -0.45 0.00 0.00 -0.75 0.00 0.00 64.21 63.75 3abe n SER 111 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 3abe n SER 112 N 0.00 1.74 0.00 -3.46 2.88 -1.26 -5.14 113.62 108.38 3abe n SER 112 Ca 0.00 -0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.25 3abe n SER 112 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3abe n SER 112 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 3abe n ASP 113 N -0.36 0.00 -0.11 -3.46 -0.08 -1.26 -4.84 116.55 106.44 3abe n ASP 113 Ca 0.00 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.16 3abe n ASP 113 Cb 0.00 0.22 -0.03 0.00 2.34 0.00 0.00 41.12 43.65 3abe n ASP 113 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 3abe h SER 114 N 0.00 0.72 -0.74 1.67 4.64 -2.00 -2.82 113.55 115.02 3abe h SER 114 Ca 0.00 -0.42 0.18 0.00 -0.47 0.00 0.00 61.79 61.08 3abe h SER 114 Cb 0.00 -0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 61.85 3abe h SER 114 CO 0.00 0.98 0.51 0.25 -0.87 0.00 0.00 176.83 177.69 3abe h LEU 115 N 0.46 0.23 -0.03 5.97 5.85 -1.99 0.37 115.31 126.18 3abe h LEU 115 Ca 0.07 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 3abe h LEU 115 Cb 0.71 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.72 3abe h LEU 115 CO 0.05 0.11 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.17 3abe h LEU 116 N 0.24 0.07 -0.95 2.25 3.38 -1.84 -2.58 115.31 115.88 3abe h LEU 116 Ca 0.36 -0.48 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 3abe h LEU 116 Cb 1.08 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 3abe h LEU 116 CO -0.08 0.54 -0.10 0.77 0.09 0.00 0.00 178.44 179.65 3abe h SER 117 N -0.40 0.64 -0.03 -0.43 4.64 -0.93 -1.53 113.55 115.50 3abe h SER 117 Ca 0.00 -0.17 0.04 0.00 -0.47 0.00 0.00 61.79 61.19 3abe h SER 117 Cb 0.52 -0.17 -0.05 0.00 -0.31 0.00 0.00 62.40 62.39 3abe h SER 117 CO 0.01 0.77 -0.30 -0.74 -0.87 0.00 0.00 176.83 175.70 3abe h HIS 118 N 0.60 -0.83 -0.81 4.77 -0.00 -0.33 0.58 115.15 119.13 3abe h HIS 118 Ca 0.11 0.03 0.04 0.00 -0.00 0.00 0.00 60.37 60.55 3abe h HIS 118 Cb 0.53 0.37 -0.05 0.00 -0.00 0.00 0.00 27.41 28.26 3abe h HIS 118 CO 0.02 -0.39 0.51 0.28 -0.00 0.00 0.00 177.93 178.35 3abe h VAL 119 N -0.44 1.08 -0.17 5.26 2.07 -1.28 -0.41 116.25 122.38 3abe h VAL 119 Ca 0.07 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 3abe h VAL 119 Cb 0.54 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 3abe h VAL 119 CO -0.28 0.18 -0.04 -0.08 0.02 0.00 0.00 177.57 177.37 3abe h GLU 120 N 0.96 0.32 0.25 1.57 4.81 -0.51 -2.79 114.58 119.18 3abe h GLU 120 Ca 0.33 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 3abe h GLU 120 Cb 0.08 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.44 3abe h GLU 120 CO -0.14 0.59 -0.12 1.96 -0.73 0.00 0.00 179.01 180.58 3abe h GLN 121 N 0.02 -0.32 -0.93 1.92 1.08 0.48 -2.69 115.11 114.68 3abe h GLN 121 Ca 0.04 0.02 0.19 0.00 -1.45 0.00 0.00 58.65 57.46 3abe h GLN 121 Cb 0.48 0.07 -0.18 0.00 -0.05 0.00 0.00 27.48 27.80 3abe h GLN 121 CO 0.02 -0.22 -0.21 1.28 -0.95 0.00 0.00 178.83 178.75 3abe n LEU 122 N -5.24 -0.31 -0.04 1.46 4.77 -0.19 -0.57 117.00 116.88 3abe n LEU 122 Ca -0.09 1.60 0.20 0.00 -0.03 0.00 0.00 56.01 57.69 3abe n LEU 122 Cb 0.16 -0.49 0.37 0.00 -2.33 0.00 0.00 43.42 41.12 3abe n LEU 122 CO 0.35 -1.54 1.19 -0.07 -1.33 0.00 0.00 177.39 175.98 3abe h LEU 123 N 0.00 0.00 -2.21 2.23 3.38 -1.20 1.13 115.31 118.64 3abe h LEU 123 Ca 0.46 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.48 3abe h LEU 123 Cb 0.72 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 3abe h LEU 123 CO -0.95 0.00 0.20 0.00 0.09 0.00 0.00 178.44 177.78 3abe h ALA 124 N 0.51 1.84 -0.85 1.53 0.00 -1.00 -0.91 119.26 120.37 3abe h ALA 124 Ca 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3abe h ALA 124 Cb 2.48 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 20.24 3abe h ALA 124 CO -0.00 -0.30 0.54 0.00 0.00 0.00 0.00 179.25 179.49 3abe h ALA 125 N 1.77 1.08 0.07 0.00 0.00 0.11 -1.34 119.26 120.96 3abe h ALA 125 Ca 0.09 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3abe h ALA 125 Cb 0.50 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3abe h ALA 125 CO -0.00 0.52 -0.04 0.74 0.00 0.00 0.00 179.25 180.47 3abe h PHE 126 N 1.16 -0.09 -0.33 0.00 -1.00 -1.35 -1.85 116.94 113.48 3abe h PHE 126 Ca 0.31 -0.00 0.07 0.00 2.81 0.00 0.00 57.97 61.15 3abe h PHE 126 Cb -0.10 0.03 -0.06 0.00 3.61 0.00 0.00 35.95 39.43 3abe h PHE 126 CO -0.01 0.25 -0.08 0.82 -1.61 0.00 0.00 178.31 177.69 3abe h ILE 127 N -0.45 0.68 -0.05 -0.55 1.08 -1.28 0.34 117.51 117.28 3abe h ILE 127 Ca -0.01 -0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.47 3abe h ILE 127 Cb 0.38 0.67 -0.00 0.00 -3.07 0.00 0.00 36.82 34.80 3abe h ILE 127 CO 0.02 0.00 0.05 -0.07 -0.69 0.00 0.00 178.15 177.45 3abe h LEU 128 N 0.01 0.00 0.12 1.44 3.38 -1.18 0.41 115.31 119.49 3abe h LEU 128 Ca 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3abe h LEU 128 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3abe h LEU 128 CO -0.33 0.00 -0.06 0.11 0.09 0.00 0.00 178.44 178.25 3abe h LYS 129 N 0.00 -0.16 -0.85 1.13 1.79 0.45 -3.21 116.57 115.73 3abe h LYS 129 Ca 0.03 0.01 0.17 0.00 -2.18 0.00 0.00 60.65 58.68 3abe h LYS 129 Cb 0.12 0.04 -0.11 0.00 -1.58 0.00 0.00 32.23 30.70 3abe h LYS 129 CO -0.00 0.28 0.39 0.82 -1.08 0.00 0.00 179.45 179.86 3abe h ILE 130 N -0.69 0.62 -0.96 1.86 2.04 0.00 -1.73 117.51 118.67 3abe h ILE 130 Ca -0.02 -0.17 0.11 0.00 1.00 0.00 0.00 64.86 65.78 3abe h ILE 130 Cb 0.52 0.07 -0.07 0.00 -0.74 0.00 0.00 36.82 36.59 3abe h ILE 130 CO 0.03 0.09 0.61 0.77 0.00 0.00 0.00 178.15 179.65 3abe h SER 131 N 0.51 0.86 -0.43 1.72 4.64 -0.96 -1.93 113.55 117.96 3abe h SER 131 Ca 0.49 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 3abe h SER 131 Cb 0.79 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 3abe h SER 131 CO -0.43 0.48 0.00 1.33 -0.87 0.00 0.00 176.83 177.34 3abe n VAL 132 N -4.57 1.63 -0.31 0.95 0.24 -0.70 -4.71 118.33 110.87 3abe n VAL 132 Ca 0.17 -1.31 -0.04 0.00 -2.04 0.00 0.00 64.34 61.12 3abe n VAL 132 Cb 0.34 0.17 0.08 0.00 -1.47 0.00 0.00 33.84 32.96 3abe n VAL 132 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3abe n ASP 134 N -4.38 0.08 0.00 0.00 5.75 -1.26 0.40 116.55 117.13 3abe n ASP 134 Ca 0.09 0.81 0.00 0.00 -0.01 0.00 0.00 54.79 55.67 3abe n ASP 134 Cb 0.09 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 39.78 3abe n ASP 134 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3abe n ALA 135 N -2.58 1.09 0.00 2.12 0.00 0.07 -3.15 120.51 118.06 3abe n ALA 135 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.72 3abe n ALA 135 Cb 1.19 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 19.71 3abe n ALA 135 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3abe n VAL 136 N -1.30 0.00 -3.41 0.00 0.24 1.31 -5.08 118.33 110.10 3abe n VAL 136 Ca 0.00 -0.02 -0.23 0.00 -2.04 0.00 0.00 64.34 62.05 3abe n VAL 136 Cb 0.02 0.43 -0.01 0.00 -1.47 0.00 0.00 33.84 32.81 3abe n VAL 136 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3abe s LEU 137 N -0.33 4.00 -0.15 1.34 1.43 -1.01 -5.11 118.68 118.85 3abe s LEU 137 Ca 0.00 0.33 -0.08 0.00 -1.03 0.00 0.00 54.13 53.35 3abe s LEU 137 Cb 0.00 -3.19 -0.04 0.00 0.03 0.00 0.00 46.19 42.99 3abe s LEU 137 CO 0.00 -0.34 0.12 -1.81 0.23 0.00 0.00 176.35 174.55 3abe s ASP 138 N -4.07 6.15 0.61 2.29 1.01 -1.26 -4.81 116.67 116.59 3abe s ASP 138 Ca 0.41 0.32 -0.18 0.00 0.71 0.00 0.00 52.55 53.82 3abe s ASP 138 Cb -0.10 -2.01 -0.09 0.00 1.01 0.00 0.00 42.92 41.73 3abe s ASP 138 CO 0.35 0.31 0.35 1.41 0.21 0.00 0.00 175.17 177.80 3abe n HIS 139 N 2.65 -1.31 -2.39 4.23 8.25 -1.26 -4.96 115.22 120.43 3abe n HIS 139 Ca -0.18 0.40 -0.29 0.00 -0.26 0.00 0.00 57.72 57.39 3abe n HIS 139 Cb 0.54 -1.87 -0.00 0.00 1.12 0.00 0.00 29.99 29.77 3abe n HIS 139 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3abe s ASN 140 N -1.20 6.28 0.55 0.41 0.01 -1.26 -4.89 114.94 114.83 3abe s ASN 140 Ca 0.65 1.13 -0.18 0.00 -0.71 0.00 0.00 52.86 53.74 3abe s ASN 140 Cb -0.42 -2.34 -0.06 0.00 0.41 0.00 0.00 41.25 38.85 3abe s ASN 140 CO 0.58 -0.66 1.07 -2.84 -1.51 0.00 0.00 177.10 173.74 3abe s PRO 141 N -4.80 3.46 0.60 -0.60 0.02 -1.26 -4.98 135.00 127.43 3abe s PRO 141 Ca 0.51 1.36 -0.18 0.00 0.02 0.00 0.00 61.00 62.71 3abe s PRO 141 Cb -0.11 -2.04 -0.06 0.00 0.02 0.00 0.00 34.50 32.31 3abe s PRO 141 CO 0.47 -0.72 0.75 -0.35 -0.33 0.00 0.00 177.00 176.82 3abe n PRO 142 N -1.52 0.68 -0.02 5.54 -0.04 -1.26 -4.08 135.00 134.31 3abe n PRO 142 Ca 0.10 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 3abe n PRO 142 Cb 0.52 -1.95 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 3abe n PRO 142 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3abe n GLY 143 N 1.52 0.99 3.84 0.55 0.00 -1.26 -4.49 105.19 106.35 3abe n GLY 143 Ca 0.13 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 3abe n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3abe s THR 145 N -2.76 0.34 0.29 0.00 -4.23 0.68 -4.89 115.64 105.07 3abe s THR 145 Ca 0.58 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 59.16 3abe s THR 145 Cb -0.11 -2.49 -0.02 0.00 1.34 0.00 0.00 72.50 71.22 3abe s THR 145 CO 0.38 0.00 0.26 2.22 -0.54 0.00 0.00 174.62 176.94 3abe n PHE 146 N -0.64 -0.75 -3.59 3.99 -1.74 -1.26 -0.44 117.46 113.03 3abe n PHE 146 Ca 0.01 -2.43 -0.06 0.00 -0.56 0.00 0.00 57.45 54.40 3abe n PHE 146 Cb 0.65 0.27 -0.02 0.00 1.52 0.00 0.00 39.48 41.90 3abe n PHE 146 CO 0.00 0.00 0.00 -0.08 -0.56 0.00 0.00 176.76 176.12 3abe s THR 147 N -3.16 0.00 -0.03 1.97 -1.32 -0.56 -4.96 115.64 107.59 3abe s THR 147 Ca 0.34 -0.22 0.01 0.00 -1.21 0.00 0.00 61.69 60.62 3abe s THR 147 Cb 0.02 -1.35 0.02 0.00 -1.51 0.00 0.00 72.50 69.67 3abe s THR 147 CO 0.24 0.00 -0.05 -0.69 -2.21 0.00 0.00 174.62 171.91 3abe s VAL 148 N -3.12 0.53 0.08 5.08 1.01 -1.26 -1.10 120.40 121.62 3abe s VAL 148 Ca 0.08 -0.15 0.09 0.00 0.00 0.00 0.00 61.98 61.99 3abe s VAL 148 Cb -0.01 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 3abe s VAL 148 CO -0.05 0.21 -0.21 -0.76 0.00 0.00 0.00 175.10 174.28 3abe s LEU 149 N 0.68 2.49 -0.16 3.92 1.43 -0.23 -4.98 118.68 121.82 3abe s LEU 149 Ca -0.09 -0.56 0.02 0.00 -1.03 0.00 0.00 54.13 52.47 3abe s LEU 149 Cb -0.12 -1.42 0.02 0.00 0.03 0.00 0.00 46.19 44.69 3abe s LEU 149 CO 0.00 0.22 -0.21 -0.69 0.23 0.00 0.00 176.35 175.90 3abe s VAL 150 N -0.99 2.07 -0.20 -1.59 1.01 -1.26 -1.01 120.40 118.42 3abe s VAL 150 Ca 0.15 -0.95 -0.11 0.00 0.00 0.00 0.00 61.98 61.07 3abe s VAL 150 Cb -0.10 -1.85 -0.05 0.00 0.00 0.00 0.00 36.38 34.38 3abe s VAL 150 CO 0.06 0.54 0.16 -1.00 0.00 0.00 0.00 175.10 174.86 3abe s HIS 151 N 1.09 3.39 0.19 5.22 3.76 0.19 -4.95 115.29 124.18 3abe s HIS 151 Ca -0.00 0.34 -0.07 0.00 -0.15 0.00 0.00 55.06 55.18 3abe s HIS 151 Cb -0.14 -2.21 -0.06 0.00 1.11 0.00 0.00 32.58 31.27 3abe s HIS 151 CO -0.08 0.23 0.47 0.95 -0.85 0.00 0.00 174.74 175.45 3abe s THR 152 N 0.55 5.04 0.09 1.30 -4.23 -1.26 -0.17 115.64 116.96 3abe s THR 152 Ca 0.09 0.25 -0.14 0.00 -1.18 0.00 0.00 61.69 60.70 3abe s THR 152 Cb -0.12 -3.62 -0.15 0.00 1.34 0.00 0.00 72.50 69.95 3abe s THR 152 CO 0.00 -0.03 1.30 0.03 -0.54 0.00 0.00 174.62 175.38 3abe h ARG 153 N 2.63 0.71 0.00 3.99 3.08 -0.93 -3.44 114.38 120.43 3abe h ARG 153 Ca -0.46 -0.55 -0.27 0.00 0.07 0.00 0.00 59.98 58.77 3abe h ARG 153 Cb 1.17 0.10 0.02 0.00 0.08 0.00 0.00 29.97 31.34 3abe h ARG 153 CO 0.71 1.16 -0.01 0.39 -1.07 0.00 0.00 179.97 181.15 3abe n GLU 154 N -4.07 0.64 -2.64 0.04 1.02 -1.26 -5.03 120.64 109.35 3abe n GLU 154 Ca -0.07 -1.68 -0.42 0.00 -0.02 0.00 0.00 57.16 54.96 3abe n GLU 154 Cb 0.66 -0.19 -0.03 0.00 -0.02 0.00 0.00 31.44 31.86 3abe n GLU 154 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3abe s ALA 155 N -2.54 3.01 -0.19 0.62 0.00 -1.26 -4.93 121.76 116.46 3abe s ALA 155 Ca 0.35 -0.98 -0.18 0.00 0.00 0.00 0.00 51.96 51.15 3abe s ALA 155 Cb -0.03 -4.00 -0.08 0.00 0.00 0.00 0.00 23.12 19.02 3abe s ALA 155 CO 0.22 -2.67 0.65 0.00 0.00 0.00 0.00 175.76 173.97 3abe n ALA 156 N 8.33 -0.42 0.00 0.00 0.00 -1.26 -4.32 120.51 122.83 3abe n ALA 156 Ca 0.06 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.68 3abe n ALA 156 Cb 0.49 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.18 3abe n ALA 156 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3abe n THR 157 N 1.71 0.00 0.02 0.00 -2.24 -1.26 -4.85 114.28 107.66 3abe n THR 157 Ca 0.14 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.73 3abe n THR 157 Cb -0.02 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.10 3abe n THR 157 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3abe h ARG 158 N 0.00 0.54 -0.97 -0.78 3.08 -2.01 -2.73 114.38 111.51 3abe h ARG 158 Ca 0.00 -0.57 0.29 0.00 0.07 0.00 0.00 59.98 59.77 3abe h ARG 158 Cb 0.00 0.16 -0.14 0.00 0.08 0.00 0.00 29.97 30.06 3abe h ARG 158 CO 0.00 1.19 0.49 -0.91 -1.07 0.00 0.00 179.97 179.67 3abe h ASN 159 N 0.12 0.41 -0.97 7.04 2.35 -1.90 -2.97 115.58 119.66 3abe h ASN 159 Ca -0.09 0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3abe h ASN 159 Cb 1.46 0.16 -0.05 0.00 0.05 0.00 0.00 38.32 39.93 3abe h ASN 159 CO 0.15 -0.11 0.62 -0.03 -1.65 0.00 0.00 177.43 176.41 3abe h MET 160 N 0.33 1.29 -0.06 0.81 4.05 -1.81 0.69 114.93 120.22 3abe h MET 160 Ca 0.68 -0.09 -0.22 0.00 -0.28 0.00 0.00 59.70 59.79 3abe h MET 160 Cb 1.48 -0.28 0.01 0.00 -0.80 0.00 0.00 31.60 32.00 3abe h MET 160 CO -0.60 0.87 -0.85 0.93 0.23 0.00 0.00 176.91 177.48 3abe h GLU 161 N 1.32 0.55 -0.16 0.39 5.08 -1.63 -3.32 114.58 116.81 3abe h GLU 161 Ca 0.35 -0.51 -0.18 0.00 -1.00 0.00 0.00 59.36 58.02 3abe h GLU 161 Cb -0.12 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3abe h GLU 161 CO -0.07 1.14 -0.65 0.87 -1.00 0.00 0.00 179.01 179.30 3abe h LYS 162 N 0.35 0.59 0.00 2.33 1.57 -1.22 -3.12 116.57 117.07 3abe h LYS 162 Ca -0.07 -0.43 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3abe h LYS 162 Cb 1.47 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.85 3abe h LYS 162 CO 0.16 1.05 0.00 1.51 -0.57 0.00 0.00 179.45 181.59 3abe n ILE 163 N -3.92 0.88 -1.58 1.86 3.06 0.23 -3.44 119.36 116.44 3abe n ILE 163 Ca -0.04 0.21 -0.30 0.00 -2.50 0.00 0.00 62.75 60.12 3abe n ILE 163 Cb 0.67 -1.01 -0.05 0.00 0.54 0.00 0.00 39.64 39.78 3abe n ILE 163 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3abe n GLN 164 N -1.77 3.13 -0.28 9.51 1.13 -1.18 -4.62 117.38 123.31 3abe n GLN 164 Ca 0.03 -2.54 -0.00 0.00 -1.94 0.00 0.00 57.00 52.55 3abe n GLN 164 Cb 0.21 -2.32 0.20 0.00 0.11 0.00 0.00 30.24 28.43 3abe n GLN 164 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3abe h VAL 165 N 2.25 1.21 -3.44 5.09 2.07 -1.83 -3.37 116.25 118.23 3abe h VAL 165 Ca 0.50 -0.39 -0.70 0.00 0.82 0.00 0.00 66.70 66.92 3abe h VAL 165 Cb 0.65 -0.03 -0.33 0.00 -1.52 0.00 0.00 31.29 30.06 3abe h VAL 165 CO 1.04 0.21 -0.51 -0.63 0.02 0.00 0.00 177.57 177.71 3abe s ILE 166 N -5.95 3.59 0.60 4.57 1.01 -1.26 -5.07 121.20 118.68 3abe s ILE 166 Ca -0.12 -1.92 -0.20 0.00 0.00 0.00 0.00 60.65 58.42 3abe s ILE 166 Cb 0.18 -3.40 -0.03 0.00 0.01 0.00 0.00 42.46 39.22 3abe s ILE 166 CO 0.80 -0.68 1.34 -0.54 0.00 0.00 0.00 174.94 175.85 3abe s LYS 167 N 1.22 2.83 0.00 2.79 -0.14 -1.26 -0.50 119.74 124.69 3abe s LYS 167 Ca 0.07 2.17 0.00 0.00 -1.36 0.00 0.00 55.97 56.85 3abe s LYS 167 Cb -0.24 -2.05 0.00 0.00 -1.68 0.00 0.00 37.83 33.86 3abe s LYS 167 CO -0.03 -1.41 0.00 -0.25 -0.76 0.00 0.00 175.35 172.90 3abe n ASP 168 N -1.47 0.00 -3.95 2.83 8.00 -1.26 -4.92 116.55 115.79 3abe n ASP 168 Ca 0.13 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.30 3abe n ASP 168 Cb 0.46 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.49 3abe n ASP 168 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3abe n PHE 169 N -1.98 3.78 -2.88 1.24 7.35 0.35 -5.10 117.46 120.23 3abe n PHE 169 Ca 0.00 -4.05 -0.30 0.00 -0.76 0.00 0.00 57.45 52.34 3abe n PHE 169 Cb 0.00 -0.95 -0.03 0.00 0.35 0.00 0.00 39.48 38.85 3abe n PHE 169 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 3abe s PRO 170 N -1.70 3.78 0.01 -7.13 0.02 -1.26 -4.65 135.00 124.06 3abe s PRO 170 Ca 0.29 0.46 0.08 0.00 0.02 0.00 0.00 61.00 61.85 3abe s PRO 170 Cb -0.02 -2.40 -0.02 0.00 0.02 0.00 0.00 34.50 32.08 3abe s PRO 170 CO -0.10 -0.02 -0.25 -1.58 -0.33 0.00 0.00 177.00 174.72 3abe s TRP 171 N -2.35 2.37 0.52 6.54 0.52 -1.26 -5.12 118.94 120.15 3abe s TRP 171 Ca 0.51 -0.40 0.03 0.00 0.02 0.00 0.00 56.10 56.26 3abe s TRP 171 Cb -0.10 -1.46 0.00 0.00 -1.15 0.00 0.00 33.47 30.76 3abe s TRP 171 CO 0.31 0.06 0.15 0.96 0.02 0.00 0.00 176.95 178.45 3abe s ILE 172 N -0.72 1.37 0.26 2.03 -4.36 -1.26 -5.01 121.20 113.51 3abe s ILE 172 Ca 0.11 -1.81 -0.26 0.00 -0.26 0.00 0.00 60.65 58.43 3abe s ILE 172 Cb -0.10 -2.18 -0.09 0.00 1.25 0.00 0.00 42.46 41.34 3abe s ILE 172 CO 0.01 0.00 0.89 -0.76 0.24 0.00 0.00 174.94 175.32 3abe s LEU 173 N -4.02 4.48 0.50 0.37 1.43 -1.26 -5.05 118.68 115.12 3abe s LEU 173 Ca 0.17 1.79 -0.22 0.00 -1.03 0.00 0.00 54.13 54.84 3abe s LEU 173 Cb 0.00 -3.73 -0.06 0.00 0.03 0.00 0.00 46.19 42.43 3abe s LEU 173 CO 0.10 0.06 1.19 0.00 0.23 0.00 0.00 176.35 177.92 3abe s ALA 174 N -1.40 2.86 1.05 4.21 0.00 -1.26 -5.06 121.76 122.15 3abe s ALA 174 Ca 0.44 0.97 -0.11 0.00 0.00 0.00 0.00 51.96 53.26 3abe s ALA 174 Cb -0.21 -3.41 0.16 0.00 0.00 0.00 0.00 23.12 19.66 3abe s ALA 174 CO 0.26 -0.82 0.80 -0.25 0.00 0.00 0.00 175.76 175.76 3abe n ASP 175 N -0.83 -0.44 0.03 0.00 8.00 -1.26 -4.98 116.55 117.08 3abe n ASP 175 Ca 0.09 -1.20 -0.17 0.00 0.71 0.00 0.00 54.79 54.22 3abe n ASP 175 Cb 0.48 -0.64 -0.14 0.00 -0.02 0.00 0.00 41.12 40.80 3abe n ASP 175 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3abe h GLU 176 N 0.00 0.23 -0.11 -1.24 5.08 -2.00 -3.33 114.58 113.21 3abe h GLU 176 Ca -0.27 -0.39 0.01 0.00 -1.00 0.00 0.00 59.36 57.71 3abe h GLU 176 Cb 0.77 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 3abe h GLU 176 CO 0.19 1.06 -0.07 1.96 -1.00 0.00 0.00 179.01 181.15 3abe h GLN 177 N 0.06 -0.01 -0.67 2.33 4.20 -1.93 0.34 115.11 119.43 3abe h GLN 177 Ca -0.31 0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.50 3abe h GLN 177 Cb 2.03 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 29.69 3abe h GLN 177 CO 0.13 -0.01 -0.40 -0.44 -0.67 0.00 0.00 178.83 177.45 3abe h ASP 178 N -0.01 -1.38 0.58 1.46 3.32 -1.94 -2.66 116.42 115.78 3abe h ASP 178 Ca 0.02 0.25 -0.03 0.00 0.02 0.00 0.00 57.03 57.29 3abe h ASP 178 Cb 0.06 0.66 0.01 0.00 0.22 0.00 0.00 39.33 40.28 3abe h ASP 178 CO -0.11 -0.31 -0.28 0.58 -1.72 0.00 0.00 179.24 177.40 3abe h VAL 179 N -0.16 0.34 -3.64 -1.35 2.07 -1.60 -3.44 116.25 108.47 3abe h VAL 179 Ca 0.23 -0.25 -0.56 0.00 0.82 0.00 0.00 66.70 66.93 3abe h VAL 179 Cb 0.56 0.43 0.14 0.00 -1.52 0.00 0.00 31.29 30.90 3abe h VAL 179 CO -0.75 0.03 0.41 1.57 0.02 0.00 0.00 177.57 178.86 3abe n HIS 180 N -5.36 1.80 -2.66 1.57 -0.00 0.12 -4.94 115.22 105.75 3abe n HIS 180 Ca -0.12 0.47 -0.03 0.00 -0.00 0.00 0.00 57.72 58.04 3abe n HIS 180 Cb 0.34 -2.31 0.05 0.00 -0.00 0.00 0.00 29.99 28.07 3abe n HIS 180 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 3abe n MET 181 N -0.49 0.05 -2.75 1.57 0.00 -1.26 -4.61 117.12 109.62 3abe n MET 181 Ca 0.10 -0.61 -0.41 0.00 0.00 0.00 0.00 57.70 56.77 3abe n MET 181 Cb 0.43 0.24 -0.05 0.00 0.00 0.00 0.00 33.22 33.84 3abe n MET 181 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 175.97 172.59 3abe s HIS 182 N 0.77 3.84 0.00 1.12 -3.43 -1.26 -3.32 115.29 113.01 3abe s HIS 182 Ca 0.23 1.80 0.00 0.00 -0.80 0.00 0.00 55.06 56.29 3abe s HIS 182 Cb 0.16 -3.02 0.00 0.00 -1.43 0.00 0.00 32.58 28.29 3abe s HIS 182 CO -0.10 0.26 0.32 -3.47 -2.00 0.00 0.00 174.74 169.75 3abe n ASP 183 N 2.54 0.00 -0.85 7.38 2.03 -1.26 -4.77 116.55 121.62 3abe n ASP 183 Ca 0.01 0.32 0.00 0.00 0.52 0.00 0.00 54.79 55.65 3abe n ASP 183 Cb 0.49 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 3abe n ASP 183 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3abe n PRO 184 N -0.35 2.56 -4.70 -0.67 -0.04 -1.21 -5.04 135.00 125.55 3abe n PRO 184 Ca 0.00 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 3abe n PRO 184 Cb 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.32 3abe n PRO 184 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3abe s ARG 185 N 0.39 3.40 -0.11 0.54 0.52 -1.23 -4.87 118.95 117.60 3abe s ARG 185 Ca 0.00 -0.67 -0.15 0.00 -0.52 0.00 0.00 55.73 54.38 3abe s ARG 185 Cb 0.00 -2.67 -0.05 0.00 0.52 0.00 0.00 34.95 32.75 3abe s ARG 185 CO 0.00 0.19 0.38 -1.17 0.02 0.00 0.00 175.30 174.72 3abe s LEU 186 N 0.42 4.31 -0.30 2.53 0.20 -1.26 -1.61 118.68 122.97 3abe s LEU 186 Ca -0.09 0.72 -0.02 0.00 0.69 0.00 0.00 54.13 55.42 3abe s LEU 186 Cb -0.16 -2.53 0.10 0.00 -0.43 0.00 0.00 46.19 43.17 3abe s LEU 186 CO 0.05 0.12 0.11 -0.63 -0.29 0.00 0.00 176.35 175.71 3abe s ILE 187 N 0.14 0.44 0.81 6.68 1.01 -0.15 -5.00 121.20 125.13 3abe s ILE 187 Ca 0.21 -1.08 -0.12 0.00 0.00 0.00 0.00 60.65 59.66 3abe s ILE 187 Cb -0.15 -1.34 0.08 0.00 0.01 0.00 0.00 42.46 41.07 3abe s ILE 187 CO 0.08 -0.69 1.16 -2.16 0.00 0.00 0.00 174.94 173.34 3abe s PRO 188 N 1.84 1.74 0.02 2.79 0.04 -1.26 -1.55 135.00 138.62 3abe s PRO 188 Ca 0.09 1.57 0.00 0.00 0.04 0.00 0.00 61.00 62.70 3abe s PRO 188 Cb -0.17 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.57 3abe s PRO 188 CO -0.30 -2.09 0.00 1.28 0.04 0.00 0.00 177.00 175.93 3abe n LEU 189 N -3.43 0.01 -3.67 -3.56 4.77 -0.56 -4.85 117.00 105.71 3abe n LEU 189 Ca 0.12 0.04 -0.15 0.00 -0.03 0.00 0.00 56.01 55.99 3abe n LEU 189 Cb 0.51 0.02 -0.08 0.00 -2.33 0.00 0.00 43.42 41.55 3abe n LEU 189 CO 0.49 -0.41 0.19 -0.75 -1.33 0.00 0.00 177.39 175.58 3abe s LYS 190 N -2.00 0.78 0.03 3.23 2.47 -0.89 -4.94 119.74 118.43 3abe s LYS 190 Ca 0.00 0.12 0.05 0.00 -1.56 0.00 0.00 55.97 54.58 3abe s LYS 190 Cb 0.00 0.36 -0.02 0.00 -1.46 0.00 0.00 37.83 36.71 3abe s LYS 190 CO 0.00 -0.21 -0.14 0.99 0.16 0.00 0.00 175.35 176.15 3abe s THR 191 N -0.99 1.12 0.01 3.43 2.01 -1.26 -1.24 115.64 118.72 3abe s THR 191 Ca -0.10 -0.93 -0.08 0.00 0.31 0.00 0.00 61.69 60.89 3abe s THR 191 Cb -0.03 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.48 3abe s THR 191 CO 0.06 0.07 0.14 0.00 -0.69 0.00 0.00 174.62 174.20 3abe s MET 192 N -0.99 0.52 -0.05 4.92 0.23 -0.87 -5.02 119.30 118.04 3abe s MET 192 Ca 0.02 -0.45 -0.01 0.00 -1.03 0.00 0.00 55.69 54.22 3abe s MET 192 Cb -0.07 0.21 0.03 0.00 -1.53 0.00 0.00 34.83 33.47 3abe s MET 192 CO 0.01 -0.13 0.03 0.99 -2.03 0.00 0.00 175.02 173.89 3abe s THR 193 N -1.60 0.09 0.41 3.16 2.01 -1.26 -2.65 115.64 115.81 3abe s THR 193 Ca -0.13 0.27 0.04 0.00 0.31 0.00 0.00 61.69 62.17 3abe s THR 193 Cb -0.06 -0.29 -0.04 0.00 0.01 0.00 0.00 72.50 72.12 3abe s THR 193 CO 0.01 0.19 0.05 -0.94 -0.69 0.00 0.00 174.62 173.24 3abe s SER 194 N 1.86 3.27 0.39 3.53 1.04 -0.18 -4.99 113.70 118.62 3abe s SER 194 Ca 0.02 -1.52 0.28 0.00 0.48 0.00 0.00 55.95 55.21 3abe s SER 194 Cb -0.12 0.14 1.09 0.00 0.10 0.00 0.00 66.02 67.23 3abe s SER 194 CO -0.03 -0.71 1.83 0.44 0.98 0.00 0.00 173.24 175.74 3abe h ASP 195 N 1.76 0.00 0.00 7.02 3.45 -2.00 -3.31 116.42 123.35 3abe h ASP 195 Ca -0.41 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.05 3abe h ASP 195 Cb 1.27 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.04 3abe h ASP 195 CO 0.70 0.00 -0.97 2.30 -1.57 0.00 0.00 179.24 179.71 3abe n ILE 196 N -2.65 0.00 -3.71 0.35 -5.35 -1.26 -4.57 119.36 102.17 3abe n ILE 196 Ca 0.02 -0.19 -0.11 0.00 -0.27 0.00 0.00 62.75 62.20 3abe n ILE 196 Cb 0.30 0.55 -0.11 0.00 -1.74 0.00 0.00 39.64 38.64 3abe n ILE 196 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 3abe s LEU 197 N -3.06 0.06 -0.01 7.28 2.96 -1.25 -4.23 118.68 120.45 3abe s LEU 197 Ca -0.01 0.87 0.03 0.00 -0.22 0.00 0.00 54.13 54.80 3abe s LEU 197 Cb 0.03 1.35 -0.01 0.00 0.50 0.00 0.00 46.19 48.07 3abe s LEU 197 CO 0.21 -0.18 -0.11 -0.54 -1.32 0.00 0.00 176.35 174.42 3abe s LYS 198 N 1.07 0.88 -0.22 1.98 1.02 0.29 -1.01 119.74 123.75 3abe s LYS 198 Ca -0.07 -0.41 -0.17 0.00 0.02 0.00 0.00 55.97 55.34 3abe s LYS 198 Cb -0.07 -0.85 0.06 0.00 -0.52 0.00 0.00 37.83 36.45 3abe s LYS 198 CO -0.09 0.23 0.57 1.41 -0.92 0.00 0.00 175.35 176.55 3abe s MET 199 N -0.31 0.62 -0.03 1.68 1.75 -1.08 0.35 119.30 122.28 3abe s MET 199 Ca 0.04 0.89 0.02 0.00 -1.25 0.00 0.00 55.69 55.39 3abe s MET 199 Cb -0.04 0.21 0.01 0.00 2.84 0.00 0.00 34.83 37.85 3abe s MET 199 CO -0.00 -0.11 -0.07 1.14 -0.65 0.00 0.00 175.02 175.32 3abe s GLN 200 N 0.82 0.90 -0.19 4.11 -2.07 -0.20 -2.04 119.66 120.99 3abe s GLN 200 Ca -0.04 -0.23 0.00 0.00 -1.82 0.00 0.00 55.36 53.27 3abe s GLN 200 Cb -0.05 -0.85 0.02 0.00 -1.09 0.00 0.00 33.01 31.03 3abe s GLN 200 CO -0.07 0.04 -0.17 -1.17 -1.32 0.00 0.00 175.29 172.61 3abe s LEU 201 N 0.43 2.27 0.26 2.60 2.96 -0.37 -0.07 118.68 126.76 3abe s LEU 201 Ca -0.06 -0.61 0.02 0.00 -0.22 0.00 0.00 54.13 53.26 3abe s LEU 201 Cb -0.10 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 45.02 3abe s LEU 201 CO 0.01 -0.00 0.18 -0.72 -1.32 0.00 0.00 176.35 174.49 3abe s TYR 202 N 1.32 1.42 -0.06 5.38 1.13 -1.10 -1.50 117.35 123.94 3abe s TYR 202 Ca 0.05 -1.46 0.04 0.00 -1.41 0.00 0.00 57.07 54.29 3abe s TYR 202 Cb -0.13 -0.66 -0.02 0.00 -1.10 0.00 0.00 41.96 40.05 3abe s TYR 202 CO -0.11 -0.69 -0.18 0.08 -2.51 0.00 0.00 175.55 172.14 3abe s VAL 203 N -3.85 2.67 -0.11 -3.49 1.01 -0.60 -1.46 120.40 114.58 3abe s VAL 203 Ca 0.39 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.49 3abe s VAL 203 Cb 0.05 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 3abe s VAL 203 CO 0.18 0.57 -0.01 -1.61 0.00 0.00 0.00 175.10 174.23 3abe s GLU 204 N -0.43 3.21 -0.33 2.72 2.02 -0.92 -0.97 118.70 124.00 3abe s GLU 204 Ca 0.05 -0.45 -0.02 0.00 0.02 0.00 0.00 54.97 54.57 3abe s GLU 204 Cb -0.12 -2.83 0.12 0.00 0.10 0.00 0.00 34.13 31.40 3abe s GLU 204 CO 0.02 0.55 0.17 -2.00 0.02 0.00 0.00 175.26 174.01 3abe s GLU 205 N -0.46 0.44 -0.03 1.61 2.12 -0.63 -0.77 118.70 120.98 3abe s GLU 205 Ca 0.08 -1.00 -0.09 0.00 0.36 0.00 0.00 54.97 54.32 3abe s GLU 205 Cb -0.12 -1.34 -0.04 0.00 0.26 0.00 0.00 34.13 32.89 3abe s GLU 205 CO 0.02 -1.11 0.25 -2.13 -0.54 0.00 0.00 175.26 171.75 3abe n ARG 206 N 4.59 0.00 -0.31 4.30 0.63 0.34 -3.48 116.66 122.73 3abe n ARG 206 Ca 0.03 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 57.09 3abe n ARG 206 Cb 0.39 -0.31 0.31 0.00 0.45 0.00 0.00 32.46 33.30 3abe n ARG 206 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3abe h ALA 207 N 0.75 1.45 -3.17 5.13 0.00 -1.90 -3.32 119.26 118.18 3abe h ALA 207 Ca -0.10 0.16 -0.63 0.00 0.00 0.00 0.00 54.91 54.34 3abe h ALA 207 Cb 0.29 0.13 -0.41 0.00 0.00 0.00 0.00 17.79 17.81 3abe h ALA 207 CO 0.15 -0.33 -0.67 -1.58 0.00 0.00 0.00 179.25 176.83 3abe s HIS 208 N -5.88 2.78 0.31 0.00 5.65 -1.26 -4.94 115.29 111.94 3abe s HIS 208 Ca -0.12 -2.93 0.00 0.00 0.25 0.00 0.00 55.06 52.26 3abe s HIS 208 Cb 0.25 -2.44 0.49 0.00 -1.18 0.00 0.00 32.58 29.71 3abe s HIS 208 CO 0.78 -0.73 1.91 0.87 -0.65 0.00 0.00 174.74 176.92 3abe h LYS 209 N 6.37 0.85 0.00 2.88 1.57 -1.93 -3.52 116.57 122.80 3abe h LYS 209 Ca -0.01 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 3abe h LYS 209 Cb 0.88 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.03 3abe h LYS 209 CO 0.62 0.67 0.00 0.41 -0.57 0.00 0.00 179.45 180.58