#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x3x s SER 15 N 0.00 4.07 0.42 -2.24 1.04 -1.26 -4.96 113.70 110.77 2x3x s SER 15 Ca 0.00 -0.03 0.09 0.00 0.48 0.00 0.00 55.95 56.49 2x3x s SER 15 Cb 0.00 -0.31 0.92 0.00 0.10 0.00 0.00 66.02 66.73 2x3x s SER 15 CO 0.00 -2.07 2.05 0.15 0.98 0.00 0.00 173.24 174.35 2x3x h PHE 16 N -0.87 0.47 -1.03 5.02 3.57 -2.03 -3.10 116.94 118.98 2x3x h PHE 16 Ca -0.40 0.01 -0.68 0.00 3.53 0.00 0.00 57.97 60.43 2x3x h PHE 16 Cb 1.27 -0.16 -0.12 0.00 2.79 0.00 0.00 35.95 39.73 2x3x h PHE 16 CO -0.39 0.28 2.12 0.91 -2.23 0.00 0.00 178.31 179.00 2x3x n TRP 17 N -4.48 2.36 -4.45 0.41 7.02 -1.26 -4.36 117.44 112.67 2x3x n TRP 17 Ca 0.04 -2.67 -0.22 0.00 -1.02 0.00 0.00 57.50 53.64 2x3x n TRP 17 Cb 0.13 -1.80 -0.11 0.00 -2.42 0.00 0.00 31.31 27.11 2x3x n TRP 17 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 2x3x s GLU 18 N -0.96 1.66 -1.19 -0.99 0.41 -1.17 -5.00 118.70 111.45 2x3x s GLU 18 Ca 0.56 -1.91 -0.19 0.00 -0.41 0.00 0.00 54.97 53.02 2x3x s GLU 18 Cb 0.22 -0.91 -0.03 0.00 -1.78 0.00 0.00 34.13 31.63 2x3x s GLU 18 CO -0.11 -0.17 1.94 0.28 -0.49 0.00 0.00 175.26 176.70 2x3x n VAL 19 N -0.69 2.85 0.00 2.63 0.31 -1.26 -3.67 118.33 118.50 2x3x n VAL 19 Ca -0.03 -2.78 0.00 0.00 -0.01 0.00 0.00 64.34 61.53 2x3x n VAL 19 Cb 0.66 -2.35 0.00 0.00 -0.91 0.00 0.00 33.84 31.24 2x3x n VAL 19 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2x3x n GLY 20 N 5.03 1.10 0.72 2.92 0.00 -1.26 -5.03 105.19 108.67 2x3x n GLY 20 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.51 2x3x n GLY 20 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2x3x n ASN 21 N 0.00 1.73 -0.00 1.61 4.13 -1.24 -3.49 115.26 118.00 2x3x n ASN 21 Ca 0.00 -2.10 0.16 0.00 1.68 0.00 0.00 54.58 54.31 2x3x n ASN 21 Cb 0.00 -0.52 0.91 0.00 -1.54 0.00 0.00 39.78 38.63 2x3x n ASN 21 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2x3x n TYR 22 N 0.11 0.00 0.19 3.10 0.18 -1.26 -4.21 117.16 115.27 2x3x n TYR 22 Ca 0.03 0.00 0.05 0.00 1.88 0.00 0.00 57.90 59.87 2x3x n TYR 22 Cb 0.39 -0.05 0.51 0.00 -0.38 0.00 0.00 39.34 39.81 2x3x n TYR 22 CO 0.00 0.00 0.00 1.57 -2.08 0.00 0.00 176.86 176.35 2x3x h LYS 23 N 0.02 0.09 -0.09 -3.48 2.10 -1.97 -2.84 116.57 110.40 2x3x h LYS 23 Ca 0.00 -0.01 -0.09 0.00 -2.00 0.00 0.00 60.65 58.55 2x3x h LYS 23 Cb 0.05 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.36 2x3x h LYS 23 CO 0.00 0.19 -0.33 0.00 -2.00 0.00 0.00 179.45 177.30 2x3x h ARG 24 N 0.09 0.18 0.00 0.07 3.08 -1.91 0.24 114.38 116.14 2x3x h ARG 24 Ca 0.02 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 2x3x h ARG 24 Cb 0.21 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 2x3x h ARG 24 CO 0.01 0.50 -0.11 1.15 -1.07 0.00 0.00 179.97 180.45 2x3x h THR 25 N 0.16 0.29 0.17 2.04 2.02 -1.81 -1.16 112.91 114.62 2x3x h THR 25 Ca 0.02 -0.82 -0.36 0.00 0.77 0.00 0.00 66.41 66.02 2x3x h THR 25 Cb 0.67 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.73 2x3x h THR 25 CO 0.05 0.11 -1.81 0.58 0.37 0.00 0.00 175.52 174.82 2x3x h VAL 26 N 0.00 0.87 -0.61 3.16 2.07 -1.35 -3.28 116.25 117.11 2x3x h VAL 26 Ca -0.00 -2.48 0.11 0.00 0.82 0.00 0.00 66.70 65.15 2x3x h VAL 26 Cb 0.63 2.71 -0.04 0.00 -1.52 0.00 0.00 31.29 33.07 2x3x h VAL 26 CO 0.01 0.87 0.41 0.50 0.02 0.00 0.00 177.57 179.38 2x3x h LYS 27 N 0.10 0.38 0.51 1.57 3.64 -0.38 -2.28 116.57 120.11 2x3x h LYS 27 Ca -0.36 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 58.97 2x3x h LYS 27 Cb 2.09 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.82 2x3x h LYS 27 CO 0.16 0.25 -0.28 -0.09 -2.27 0.00 0.00 179.45 177.22 2x3x h ARG 28 N 0.39 -0.70 -0.53 1.90 2.43 -1.32 -1.18 114.38 115.37 2x3x h ARG 28 Ca 0.28 0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.56 2x3x h ARG 28 Cb 0.59 0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 30.26 2x3x h ARG 28 CO -0.08 -0.47 0.25 0.82 -1.51 0.00 0.00 179.97 178.99 2x3x h ILE 29 N -0.73 0.93 0.03 1.20 2.04 -1.47 0.63 117.51 120.14 2x3x h ILE 29 Ca -0.06 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 2x3x h ILE 29 Cb 0.58 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 2x3x h ILE 29 CO 0.09 0.09 -0.02 0.44 0.00 0.00 0.00 178.15 178.75 2x3x h ASP 30 N 0.49 -0.04 -0.28 1.72 3.32 -1.55 -1.71 116.42 118.37 2x3x h ASP 30 Ca 0.24 -0.00 0.08 0.00 0.02 0.00 0.00 57.03 57.36 2x3x h ASP 30 Cb 0.17 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 2x3x h ASP 30 CO -0.18 -0.02 0.23 0.44 -1.72 0.00 0.00 179.24 177.98 2x3x h ASP 31 N -0.05 0.00 0.38 6.45 3.45 -0.08 -0.98 116.42 125.59 2x3x h ASP 31 Ca -0.00 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.45 2x3x h ASP 31 Cb 0.04 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 38.78 2x3x h ASP 31 CO 0.01 0.00 -0.47 1.23 -1.57 0.00 0.00 179.24 178.44 2x3x h GLY 32 N 0.00 -1.22 1.10 2.75 0.00 0.12 0.17 103.07 106.00 2x3x h GLY 32 Ca 0.13 0.59 0.10 0.00 0.00 0.00 0.00 47.33 48.15 2x3x h GLY 32 CO -0.00 -0.35 0.36 0.84 0.00 0.00 0.00 176.54 177.39 2x3x h HIS 33 N -0.88 0.29 -0.46 5.60 -0.00 -1.18 -2.73 115.15 115.78 2x3x h HIS 33 Ca -0.05 0.01 -0.13 0.00 -0.00 0.00 0.00 60.37 60.20 2x3x h HIS 33 Cb 0.78 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 28.08 2x3x h HIS 33 CO -0.29 0.14 -0.21 -0.09 -0.00 0.00 0.00 177.93 177.48 2x3x h ARG 34 N 0.27 0.95 0.10 5.26 2.43 -0.36 -3.06 114.38 119.96 2x3x h ARG 34 Ca 0.25 -0.40 -0.00 0.00 -0.81 0.00 0.00 59.98 59.01 2x3x h ARG 34 Cb 0.61 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 2x3x h ARG 34 CO -0.05 1.06 -0.05 -0.07 -1.51 0.00 0.00 179.97 179.35 2x3x h LEU 35 N 0.82 -0.11 -0.88 3.80 -0.00 -0.38 -1.42 115.31 117.14 2x3x h LEU 35 Ca 0.11 -0.20 0.27 0.00 -0.00 0.00 0.00 57.88 58.05 2x3x h LEU 35 Cb 0.78 0.03 -0.16 0.00 -0.00 0.00 0.00 40.66 41.30 2x3x h LEU 35 CO 0.06 0.14 0.12 0.00 -0.00 0.00 0.00 178.44 178.76 2x3x h ASN 37 N 0.00 -0.28 -0.79 0.00 2.35 -1.37 -2.82 115.58 112.68 2x3x h ASN 37 Ca 0.58 -0.16 0.18 0.00 -0.55 0.00 0.00 56.30 56.35 2x3x h ASN 37 Cb 1.29 0.07 -0.12 0.00 0.05 0.00 0.00 38.32 39.61 2x3x h ASN 37 CO -0.79 0.01 0.21 0.44 -1.65 0.00 0.00 177.43 175.65 2x3x h ASP 38 N -0.58 0.03 -0.05 5.81 3.32 0.16 -2.38 116.42 122.73 2x3x h ASP 38 Ca -0.03 0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 2x3x h ASP 38 Cb 0.42 0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.18 2x3x h ASP 38 CO 0.06 -0.06 -0.02 0.25 -1.72 0.00 0.00 179.24 177.75 2x3x h LEU 39 N 0.27 0.11 -0.82 1.55 5.85 -0.75 -2.03 115.31 119.49 2x3x h LEU 39 Ca 0.46 -0.38 0.14 0.00 0.84 0.00 0.00 57.88 58.94 2x3x h LEU 39 Cb 0.83 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.74 2x3x h LEU 39 CO -0.55 0.47 0.40 0.24 -0.34 0.00 0.00 178.44 178.66 2x3x h MET 40 N -0.25 0.56 -0.29 1.25 2.86 -1.21 0.44 114.93 118.29 2x3x h MET 40 Ca 0.01 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.58 2x3x h MET 40 Cb 0.42 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 2x3x h MET 40 CO 0.01 0.37 -0.00 0.77 1.06 0.00 0.00 176.91 179.12 2x3x h SER 41 N 0.58 0.40 0.19 1.22 0.02 -1.32 -1.43 113.55 113.21 2x3x h SER 41 Ca 0.45 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.32 2x3x h SER 41 Cb 0.63 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.07 2x3x h SER 41 CO -0.37 0.47 -0.09 0.00 -1.14 0.00 0.00 176.83 175.70 2x3x h VAL 43 N -0.63 1.05 0.57 0.00 -1.51 -0.91 -2.27 116.25 112.55 2x3x h VAL 43 Ca -0.03 -0.11 -0.03 0.00 -1.23 0.00 0.00 66.70 65.30 2x3x h VAL 43 Cb 0.46 0.69 0.01 0.00 -2.13 0.00 0.00 31.29 30.32 2x3x h VAL 43 CO 0.04 0.06 -0.28 -0.61 -1.23 0.00 0.00 177.57 175.56 2x3x h GLN 44 N 0.33 -0.75 0.00 5.19 5.75 -1.06 -1.84 115.11 122.74 2x3x h GLN 44 Ca 0.10 0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.65 2x3x h GLN 44 Cb 0.02 0.17 0.00 0.00 1.07 0.00 0.00 27.48 28.74 2x3x h GLN 44 CO -0.02 -0.50 0.00 0.39 -2.65 0.00 0.00 178.83 176.05 2x3x n GLU 45 N -5.42 0.16 -0.02 1.69 1.02 -0.53 -1.93 120.64 115.61 2x3x n GLU 45 Ca -0.13 0.39 -0.04 0.00 -0.02 0.00 0.00 57.16 57.37 2x3x n GLU 45 Cb 0.32 -1.81 -0.03 0.00 -0.02 0.00 0.00 31.44 29.90 2x3x n GLU 45 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2x3x h ARG 46 N 0.00 -0.08 -0.95 3.49 9.65 -1.31 -3.22 114.38 121.97 2x3x h ARG 46 Ca 0.00 0.01 0.20 0.00 -1.10 0.00 0.00 59.98 59.08 2x3x h ARG 46 Cb 0.35 0.02 -0.18 0.00 -1.39 0.00 0.00 29.97 28.77 2x3x h ARG 46 CO 0.00 0.10 -0.22 0.00 2.80 0.00 0.00 179.97 182.66 2x3x h ALA 47 N -0.84 0.67 -0.16 2.80 0.00 -0.64 1.20 119.26 122.30 2x3x h ALA 47 Ca -0.01 0.37 0.04 0.00 0.00 0.00 0.00 54.91 55.31 2x3x h ALA 47 Cb 0.22 0.71 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 2x3x h ALA 47 CO 0.01 -0.40 -0.14 -0.22 0.00 0.00 0.00 179.25 178.51 2x3x h LYS 48 N 0.00 -0.15 -0.34 0.00 3.64 -1.60 0.29 116.57 118.41 2x3x h LYS 48 Ca 0.47 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.78 2x3x h LYS 48 Cb 0.74 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 2x3x h LYS 48 CO -0.97 -0.10 -0.11 0.82 -2.27 0.00 0.00 179.45 176.81 2x3x h ILE 49 N -0.15 1.24 0.16 2.00 2.04 0.11 -0.33 117.51 122.57 2x3x h ILE 49 Ca 0.10 -1.06 -0.01 0.00 1.00 0.00 0.00 64.86 64.89 2x3x h ILE 49 Cb 0.30 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 2x3x h ILE 49 CO -0.25 0.35 -0.08 -0.08 0.00 0.00 0.00 178.15 178.10 2x3x h GLU 50 N 0.55 -0.21 -0.34 2.37 4.57 0.68 -2.96 114.58 119.23 2x3x h GLU 50 Ca 0.10 0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.39 2x3x h GLU 50 Cb 0.52 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.14 2x3x h GLU 50 CO 0.03 0.15 0.27 -0.22 -1.18 0.00 0.00 179.01 178.06 2x3x h LYS 51 N -0.60 0.00 -0.47 1.92 3.64 -0.29 -2.39 116.57 118.37 2x3x h LYS 51 Ca -0.02 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.31 2x3x h LYS 51 Cb 0.45 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 2x3x h LYS 51 CO 0.04 0.00 0.08 0.00 -2.27 0.00 0.00 179.45 177.30 2x3x h ALA 52 N 1.79 1.26 -0.09 5.00 0.00 -0.88 -1.73 119.26 124.60 2x3x h ALA 52 Ca 0.16 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2x3x h ALA 52 Cb 0.70 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2x3x h ALA 52 CO -0.00 0.51 -0.19 -0.92 0.00 0.00 0.00 179.25 178.65 2x3x h TYR 53 N 0.70 0.37 -0.19 0.00 -0.00 -1.42 -3.15 116.97 113.28 2x3x h TYR 53 Ca 0.15 -0.13 0.05 0.00 -0.00 0.00 0.00 58.73 58.80 2x3x h TYR 53 Cb 0.31 -0.07 -0.07 0.00 -0.00 0.00 0.00 36.73 36.91 2x3x h TYR 53 CO 0.02 0.79 -0.29 0.00 -0.00 0.00 0.00 178.16 178.68 2x3x h ALA 54 N 0.51 -0.26 -0.64 1.82 0.00 -1.26 0.58 119.26 120.01 2x3x h ALA 54 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2x3x h ALA 54 Cb 0.77 0.57 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 2x3x h ALA 54 CO 0.04 -0.74 0.36 0.37 0.00 0.00 0.00 179.25 179.28 2x3x h GLN 55 N -0.33 0.88 0.00 0.00 5.75 -1.43 -0.56 115.11 119.42 2x3x h GLN 55 Ca 0.12 -0.09 -0.18 0.00 -0.15 0.00 0.00 58.65 58.34 2x3x h GLN 55 Cb 0.51 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.85 2x3x h GLN 55 CO -0.37 0.64 -0.87 1.96 -2.65 0.00 0.00 178.83 177.53 2x3x h GLN 56 N 0.89 0.01 -0.00 1.69 4.20 -1.36 0.56 115.11 121.10 2x3x h GLN 56 Ca 0.23 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.82 2x3x h GLN 56 Cb 0.01 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 2x3x h GLN 56 CO -0.04 0.88 -0.48 -0.07 -0.67 0.00 0.00 178.83 178.45 2x3x h LEU 57 N 0.01 0.01 -0.38 1.46 -0.00 -0.42 -0.41 115.31 115.58 2x3x h LEU 57 Ca -0.01 -0.00 -0.18 0.00 -0.00 0.00 0.00 57.88 57.68 2x3x h LEU 57 Cb 1.54 -0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.20 2x3x h LEU 57 CO 0.11 0.48 -0.60 0.74 -0.00 0.00 0.00 178.44 179.18 2x3x h THR 58 N 0.00 1.31 0.05 0.22 2.02 -0.90 -2.10 112.91 113.51 2x3x h THR 58 Ca -0.00 -1.84 -0.00 0.00 0.77 0.00 0.00 66.41 65.34 2x3x h THR 58 Cb 0.84 1.79 -0.00 0.00 -1.74 0.00 0.00 68.15 69.04 2x3x h THR 58 CO 0.06 0.58 -0.05 0.44 0.37 0.00 0.00 175.52 176.93 2x3x h ASP 59 N 0.51 -0.12 -0.66 4.18 5.19 -0.54 -0.07 116.42 124.90 2x3x h ASP 59 Ca -0.00 0.01 0.18 0.00 -0.62 0.00 0.00 57.03 56.59 2x3x h ASP 59 Cb 1.18 0.04 -0.03 0.00 0.18 0.00 0.00 39.33 40.70 2x3x h ASP 59 CO 0.12 -0.06 0.47 -0.25 -3.12 0.00 0.00 179.24 176.40 2x3x h TRP 60 N -0.10 0.11 0.21 4.55 7.01 -1.18 0.44 115.95 127.00 2x3x h TRP 60 Ca -0.01 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.99 2x3x h TRP 60 Cb 0.08 -0.03 0.00 0.00 -2.10 0.00 0.00 29.16 27.11 2x3x h TRP 60 CO -0.03 0.04 -0.10 0.00 -2.79 0.00 0.00 178.44 175.56 2x3x h ALA 61 N 1.67 -0.28 -0.66 2.65 0.00 -1.27 -2.54 119.26 118.83 2x3x h ALA 61 Ca 0.32 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.20 2x3x h ALA 61 Cb 1.14 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 2x3x h ALA 61 CO -0.03 -0.27 0.44 -0.22 0.00 0.00 0.00 179.25 179.16 2x3x h LYS 62 N -1.05 0.60 0.01 0.00 3.11 -0.73 -2.17 116.57 116.33 2x3x h LYS 62 Ca -0.03 -0.04 -0.00 0.00 -2.81 0.00 0.00 60.65 57.78 2x3x h LYS 62 Cb 0.30 -0.13 0.00 0.00 -1.00 0.00 0.00 32.23 31.39 2x3x h LYS 62 CO 0.05 0.39 -0.00 -0.09 -2.81 0.00 0.00 179.45 176.99 2x3x h ARG 63 N 0.61 -0.01 0.00 1.90 2.43 -1.02 -3.27 114.38 115.03 2x3x h ARG 63 Ca 0.29 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 2x3x h ARG 63 Cb 0.35 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 2x3x h ARG 63 CO -0.09 0.79 0.00 0.91 -1.51 0.00 0.00 179.97 180.07 2x3x n TRP 64 N -4.70 0.00 -0.01 2.20 7.02 -0.96 -2.95 117.44 118.05 2x3x n TRP 64 Ca -0.09 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.26 2x3x n TRP 64 Cb 0.39 -0.48 -0.10 0.00 -2.42 0.00 0.00 31.31 28.71 2x3x n TRP 64 CO 0.00 0.00 0.00 -0.09 -2.02 0.00 0.00 177.69 175.58 2x3x h ARG 65 N 0.00 -0.00 0.21 -0.99 2.43 -1.44 -2.60 114.38 111.99 2x3x h ARG 65 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2x3x h ARG 65 Cb 0.36 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.87 2x3x h ARG 65 CO 0.00 0.43 -0.50 1.96 -1.51 0.00 0.00 179.97 180.34 2x3x h GLN 66 N -0.44 -0.76 -0.73 0.20 7.50 -1.59 -0.15 115.11 119.14 2x3x h GLN 66 Ca -0.00 0.05 0.16 0.00 0.50 0.00 0.00 58.65 59.36 2x3x h GLN 66 Cb 0.43 0.17 -0.11 0.00 0.05 0.00 0.00 27.48 28.02 2x3x h GLN 66 CO 0.00 -0.51 0.15 -0.07 -1.50 0.00 0.00 178.83 176.90 2x3x h LEU 67 N -0.79 -0.05 -0.16 1.46 -0.00 -1.60 -0.40 115.31 113.78 2x3x h LEU 67 Ca -0.02 0.15 -0.10 0.00 -0.00 0.00 0.00 57.88 57.91 2x3x h LEU 67 Cb 0.76 0.22 0.00 0.00 -0.00 0.00 0.00 40.66 41.64 2x3x h LEU 67 CO -0.22 -0.07 -0.30 0.40 -0.00 0.00 0.00 178.44 178.26 2x3x h ILE 68 N 0.23 1.35 -0.18 1.22 2.04 -1.39 -3.23 117.51 117.56 2x3x h ILE 68 Ca 0.41 -1.54 -0.07 0.00 1.00 0.00 0.00 64.86 64.66 2x3x h ILE 68 Cb 0.72 1.96 -0.04 0.00 -0.74 0.00 0.00 36.82 38.71 2x3x h ILE 68 CO -0.54 0.46 0.09 -0.62 0.00 0.00 0.00 178.15 177.55 2x3x n GLU 69 N -4.38 1.47 -3.19 2.37 1.02 -0.08 -3.60 120.64 114.25 2x3x n GLU 69 Ca -0.06 -0.64 -0.22 0.00 -0.02 0.00 0.00 57.16 56.22 2x3x n GLU 69 Cb 0.47 -1.40 -0.05 0.00 -0.02 0.00 0.00 31.44 30.44 2x3x n GLU 69 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2x3x n LYS 70 N 0.15 1.12 -1.06 3.49 4.76 -0.43 -4.94 118.16 121.24 2x3x n LYS 70 Ca 0.10 -3.49 0.14 0.00 -2.87 0.00 0.00 58.31 52.19 2x3x n LYS 70 Cb 0.64 -1.58 -0.04 0.00 -1.84 0.00 0.00 35.03 32.21 2x3x n LYS 70 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2x3x n GLY 71 N 0.72 -1.56 0.43 0.72 0.00 -1.24 -4.94 105.19 99.32 2x3x n GLY 71 Ca 0.24 -1.04 0.13 0.00 0.00 0.00 0.00 46.02 45.36 2x3x n GLY 71 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2x3x n PRO 72 N -3.55 1.42 -2.12 1.61 -0.04 -1.26 -4.48 135.00 126.58 2x3x n PRO 72 Ca 0.01 -0.87 -0.42 0.00 -0.04 0.00 0.00 63.50 62.17 2x3x n PRO 72 Cb 0.48 -1.48 -0.03 0.00 -0.04 0.00 0.00 33.50 32.43 2x3x n PRO 72 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2x3x s GLN 73 N -2.18 4.27 0.39 0.54 -1.52 -1.26 -5.02 119.66 114.89 2x3x s GLN 73 Ca 0.32 2.11 0.08 0.00 -1.95 0.00 0.00 55.36 55.92 2x3x s GLN 73 Cb 0.20 -3.42 -0.07 0.00 -0.22 0.00 0.00 33.01 29.50 2x3x s GLN 73 CO 0.40 -0.56 0.04 1.52 -0.25 0.00 0.00 175.29 176.44 2x3x s TYR 74 N 1.86 2.53 0.00 0.91 -0.85 -1.26 -4.83 117.35 115.71 2x3x s TYR 74 Ca 0.67 -0.59 0.00 0.00 -0.52 0.00 0.00 57.07 56.63 2x3x s TYR 74 Cb -0.36 -1.72 0.00 0.00 0.38 0.00 0.00 41.96 40.26 2x3x s TYR 74 CO 0.29 0.41 0.00 0.41 -1.52 0.00 0.00 175.55 175.14 2x3x n GLY 75 N -1.01 1.69 0.16 5.49 0.00 -1.26 -3.60 105.19 106.65 2x3x n GLY 75 Ca -0.04 -0.53 -0.06 0.00 0.00 0.00 0.00 46.02 45.39 2x3x n GLY 75 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2x3x h SER 76 N 9.33 -0.38 0.00 1.61 0.87 -1.95 -2.98 113.55 120.04 2x3x h SER 76 Ca 0.00 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2x3x h SER 76 Cb 0.00 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 2x3x h SER 76 CO 0.00 -0.22 0.61 -0.07 -0.53 0.00 0.00 176.83 176.61 2x3x h LEU 77 N -0.36 0.00 0.06 2.23 -0.00 -1.95 1.50 115.31 116.79 2x3x h LEU 77 Ca -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.85 2x3x h LEU 77 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.95 2x3x h LEU 77 CO 0.03 0.00 -0.03 -0.08 -0.00 0.00 0.00 178.44 178.36 2x3x h GLU 78 N 0.00 -0.08 -0.75 1.13 4.81 -1.58 -1.50 114.58 116.61 2x3x h GLU 78 Ca 0.00 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2x3x h GLU 78 Cb 1.21 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.58 2x3x h GLU 78 CO 0.00 0.26 0.29 0.00 -0.73 0.00 0.00 179.01 178.83 2x3x h ARG 79 N -0.43 1.12 -0.82 1.92 3.08 0.20 0.51 114.38 119.96 2x3x h ARG 79 Ca -0.01 -0.20 0.09 0.00 0.07 0.00 0.00 59.98 59.93 2x3x h ARG 79 Cb 0.38 -0.18 -0.07 0.00 0.08 0.00 0.00 29.97 30.17 2x3x h ARG 79 CO 0.01 0.91 0.48 0.00 -1.07 0.00 0.00 179.97 180.30 2x3x h ALA 80 N 1.23 1.16 0.04 0.04 0.00 -1.27 0.30 119.26 120.75 2x3x h ALA 80 Ca 0.25 0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.94 2x3x h ALA 80 Cb 0.21 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2x3x h ALA 80 CO -0.02 0.12 -1.03 2.35 0.00 0.00 0.00 179.25 180.67 2x3x h TRP 81 N 0.81 0.57 0.00 0.00 7.01 -0.70 -3.15 115.95 120.50 2x3x h TRP 81 Ca 0.39 -0.34 0.00 0.00 2.11 0.00 0.00 58.89 61.05 2x3x h TRP 81 Cb 0.32 -0.05 0.00 0.00 -2.10 0.00 0.00 29.16 27.33 2x3x h TRP 81 CO -0.06 1.19 0.00 0.78 -2.79 0.00 0.00 178.44 177.56 2x3x h GLY 82 N 1.35 0.00 1.30 2.65 0.00 0.37 -2.41 103.07 106.32 2x3x h GLY 82 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.24 2x3x h GLY 82 CO 0.18 0.00 0.45 0.00 0.00 0.00 0.00 176.54 177.16 2x3x h ALA 83 N 2.24 1.47 -0.36 3.60 0.00 -0.90 -3.05 119.26 122.27 2x3x h ALA 83 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2x3x h ALA 83 Cb 0.43 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2x3x h ALA 83 CO 0.00 0.48 0.17 0.52 0.00 0.00 0.00 179.25 180.42 2x3x h MET 84 N 0.96 0.52 -0.68 0.00 2.07 -1.58 -2.03 114.93 114.19 2x3x h MET 84 Ca 0.26 -0.08 0.15 0.00 -2.07 0.00 0.00 59.70 57.95 2x3x h MET 84 Cb -0.08 -0.09 -0.11 0.00 -1.87 0.00 0.00 31.60 29.45 2x3x h MET 84 CO -0.05 0.48 0.07 0.52 1.07 0.00 0.00 176.91 178.99 2x3x h MET 85 N 0.44 0.16 0.00 1.72 2.86 -1.65 -1.31 114.93 117.16 2x3x h MET 85 Ca 0.12 -0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.66 2x3x h MET 85 Cb 0.13 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 2x3x h MET 85 CO -0.01 0.11 -0.43 1.79 1.06 0.00 0.00 176.91 179.42 2x3x h THR 86 N 0.17 0.82 -0.39 2.22 1.35 -1.52 -2.58 112.91 112.98 2x3x h THR 86 Ca 0.37 -1.90 -0.04 0.00 -0.55 0.00 0.00 66.41 64.29 2x3x h THR 86 Cb 0.62 2.22 -0.02 0.00 -1.73 0.00 0.00 68.15 69.25 2x3x h THR 86 CO -0.54 0.42 0.07 1.05 -0.25 0.00 0.00 175.52 176.27 2x3x h GLU 87 N 0.00 0.64 -0.86 4.72 -0.00 -0.53 0.24 114.58 118.79 2x3x h GLU 87 Ca -0.00 -0.16 0.09 0.00 -0.00 0.00 0.00 59.36 59.28 2x3x h GLU 87 Cb 1.18 -0.08 -0.07 0.00 -0.00 0.00 0.00 28.75 29.78 2x3x h GLU 87 CO 0.06 0.68 0.51 0.00 -0.00 0.00 0.00 179.01 180.26 2x3x h ALA 88 N 0.93 1.24 -0.21 1.06 0.00 -1.24 0.58 119.26 121.61 2x3x h ALA 88 Ca 0.12 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2x3x h ALA 88 Cb 0.35 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2x3x h ALA 88 CO 0.01 0.16 0.04 -0.44 0.00 0.00 0.00 179.25 179.01 2x3x h ASP 89 N 0.86 0.34 -0.63 0.00 3.45 -0.98 0.20 116.42 119.66 2x3x h ASP 89 Ca 0.41 -0.26 -0.08 0.00 0.43 0.00 0.00 57.03 57.53 2x3x h ASP 89 Cb 0.35 -0.09 -0.02 0.00 -0.56 0.00 0.00 39.33 39.00 2x3x h ASP 89 CO -0.24 0.51 0.06 0.11 -1.57 0.00 0.00 179.24 178.11 2x3x h LYS 90 N 0.15 1.07 0.01 3.56 1.57 -0.13 -0.62 116.57 122.19 2x3x h LYS 90 Ca 0.06 -0.31 -0.00 0.00 -1.87 0.00 0.00 60.65 58.54 2x3x h LYS 90 Cb 0.31 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2x3x h LYS 90 CO 0.00 1.01 -0.00 0.28 -0.57 0.00 0.00 179.45 180.17 2x3x h VAL 91 N 0.98 1.19 -0.59 0.50 2.07 -0.82 -2.43 116.25 117.15 2x3x h VAL 91 Ca 0.19 -0.61 0.17 0.00 0.82 0.00 0.00 66.70 67.27 2x3x h VAL 91 Cb 0.49 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 2x3x h VAL 91 CO 0.02 0.16 0.47 -1.28 0.02 0.00 0.00 177.57 176.95 2x3x h SER 92 N -0.28 0.00 -0.18 0.57 0.87 -0.44 0.84 113.55 114.93 2x3x h SER 92 Ca -0.00 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.48 2x3x h SER 92 Cb 0.27 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2x3x h SER 92 CO 0.00 0.00 -0.20 -0.08 -0.53 0.00 0.00 176.83 176.02 2x3x h GLU 93 N 0.00 0.46 -0.58 2.24 4.22 -0.74 -2.61 114.58 117.58 2x3x h GLU 93 Ca 0.28 -0.25 -0.05 0.00 0.08 0.00 0.00 59.36 59.42 2x3x h GLU 93 Cb 1.21 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 2x3x h GLU 93 CO -0.00 0.83 0.17 -0.07 -2.18 0.00 0.00 179.01 177.76 2x3x h LEU 94 N 0.12 0.81 -0.61 1.64 3.38 -0.39 -0.07 115.31 120.20 2x3x h LEU 94 Ca 0.03 -0.13 -0.14 0.00 0.09 0.00 0.00 57.88 57.72 2x3x h LEU 94 Cb 0.75 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2x3x h LEU 94 CO 0.05 0.77 -0.39 0.45 0.09 0.00 0.00 178.44 179.41 2x3x h HIS 95 N 0.85 0.79 -0.47 1.13 3.86 -1.47 -0.70 115.15 119.14 2x3x h HIS 95 Ca 0.19 -0.23 -0.04 0.00 -1.16 0.00 0.00 60.37 59.13 2x3x h HIS 95 Cb 0.26 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 2x3x h HIS 95 CO 0.02 0.95 0.12 1.96 0.86 0.00 0.00 177.93 181.84 2x3x h GLN 96 N 0.55 0.70 -0.16 2.45 1.08 -1.00 -0.63 115.11 118.10 2x3x h GLN 96 Ca 0.05 -0.12 -0.03 0.00 -1.45 0.00 0.00 58.65 57.09 2x3x h GLN 96 Cb 0.92 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 28.23 2x3x h GLN 96 CO 0.08 0.63 -0.01 0.93 -0.95 0.00 0.00 178.83 179.50 2x3x h GLU 97 N 0.68 0.29 -0.58 1.46 5.08 -0.81 -0.68 114.58 120.01 2x3x h GLU 97 Ca 0.16 -0.10 0.12 0.00 -1.00 0.00 0.00 59.36 58.54 2x3x h GLU 97 Cb 0.24 -0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.37 2x3x h GLU 97 CO -0.00 0.53 -0.02 0.28 -1.00 0.00 0.00 179.01 178.79 2x3x h VAL 98 N 0.01 0.51 0.92 3.13 2.07 -0.69 0.59 116.25 122.79 2x3x h VAL 98 Ca 0.04 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.49 2x3x h VAL 98 Cb 0.41 0.40 0.01 0.00 -1.52 0.00 0.00 31.29 30.59 2x3x h VAL 98 CO 0.01 0.02 -0.47 0.50 0.02 0.00 0.00 177.57 177.65 2x3x h LYS 99 N 0.10 -1.23 -0.21 1.57 3.64 -1.08 0.80 116.57 120.16 2x3x h LYS 99 Ca 0.30 0.08 0.06 0.00 -1.27 0.00 0.00 60.65 59.82 2x3x h LYS 99 Cb 0.47 0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 2x3x h LYS 99 CO -0.51 -0.82 0.20 -0.91 -2.27 0.00 0.00 179.45 175.13 2x3x h ASN 100 N -1.28 0.00 0.03 4.20 2.35 -0.63 0.39 115.58 120.65 2x3x h ASN 100 Ca -0.13 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.54 2x3x h ASN 100 Cb 0.99 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.37 2x3x h ASN 100 CO 0.19 0.00 -0.36 -1.28 -1.65 0.00 0.00 177.43 174.32 2x3x h SER 101 N 0.00 0.26 0.03 5.81 0.87 0.40 -3.01 113.55 117.91 2x3x h SER 101 Ca 0.10 -0.86 -0.01 0.00 -1.23 0.00 0.00 61.79 59.78 2x3x h SER 101 Cb 0.49 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.36 2x3x h SER 101 CO -0.00 1.10 -0.04 0.25 -0.53 0.00 0.00 176.83 177.61 2x3x h LEU 102 N -0.54 0.02 0.00 2.23 5.85 0.27 -2.48 115.31 120.66 2x3x h LEU 102 Ca -0.05 -0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.34 2x3x h LEU 102 Cb 1.18 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.16 2x3x h LEU 102 CO 0.07 0.06 -2.06 0.18 -0.34 0.00 0.00 178.44 176.35 2x3x n LEU 103 N -4.48 1.77 0.14 2.25 4.32 -0.43 -2.57 117.00 118.00 2x3x n LEU 103 Ca -0.03 0.30 0.01 0.00 -0.02 0.00 0.00 56.01 56.27 2x3x n LEU 103 Cb 0.13 -0.72 0.30 0.00 -1.62 0.00 0.00 43.42 41.51 2x3x n LEU 103 CO 0.35 0.33 0.70 0.78 -1.22 0.00 0.00 177.39 178.33 2x3x h ASN 104 N -0.89 0.11 0.00 -1.43 2.35 -1.62 -3.16 115.58 110.95 2x3x h ASN 104 Ca -0.49 -0.04 -0.07 0.00 -0.55 0.00 0.00 56.30 55.14 2x3x h ASN 104 Cb 1.41 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 39.73 2x3x h ASN 104 CO -0.30 0.48 -1.08 -0.62 -1.65 0.00 0.00 177.43 174.26 2x3x n GLU 105 N -4.07 0.43 0.35 0.81 1.02 -0.96 -4.55 120.64 113.67 2x3x n GLU 105 Ca -0.02 0.17 -0.14 0.00 -0.02 0.00 0.00 57.16 57.16 2x3x n GLU 105 Cb 0.43 -1.25 -0.07 0.00 -0.02 0.00 0.00 31.44 30.53 2x3x n GLU 105 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2x3x h ASP 106 N -0.80 -0.79 -0.68 1.62 3.32 -1.60 -3.14 116.42 114.36 2x3x h ASP 106 Ca -0.11 0.03 0.01 0.00 0.02 0.00 0.00 57.03 56.98 2x3x h ASP 106 Cb 0.93 0.20 -0.04 0.00 0.22 0.00 0.00 39.33 40.65 2x3x h ASP 106 CO -0.07 -0.43 0.45 0.25 -1.72 0.00 0.00 179.24 177.72 2x3x h LEU 107 N -1.19 0.77 0.00 1.55 6.46 -1.54 -1.78 115.31 119.58 2x3x h LEU 107 Ca -0.09 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.65 2x3x h LEU 107 Cb 0.71 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.45 2x3x h LEU 107 CO 0.16 0.55 0.00 -0.62 -0.62 0.00 0.00 178.44 177.91 2x3x n GLU 108 N -4.62 0.58 -0.11 1.25 -0.58 -1.19 -1.10 120.64 114.87 2x3x n GLU 108 Ca 0.06 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.59 2x3x n GLU 108 Cb 0.03 -1.27 -0.10 0.00 -0.57 0.00 0.00 31.44 29.53 2x3x n GLU 108 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2x3x n LYS 109 N -0.77 0.56 0.32 3.49 4.81 -0.67 -3.46 118.16 122.43 2x3x n LYS 109 Ca 0.08 0.53 -0.17 0.00 -0.87 0.00 0.00 58.31 57.87 2x3x n LYS 109 Cb 0.03 -1.71 -0.09 0.00 0.02 0.00 0.00 35.03 33.29 2x3x n LYS 109 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2x3x h VAL 110 N -1.00 0.23 -0.92 3.15 2.07 -1.41 0.18 116.25 118.55 2x3x h VAL 110 Ca -0.35 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.42 2x3x h VAL 110 Cb 1.26 0.23 -0.14 0.00 -1.52 0.00 0.00 31.29 31.12 2x3x h VAL 110 CO -0.21 0.00 0.35 0.50 0.02 0.00 0.00 177.57 178.23 2x3x h LYS 111 N -0.90 0.27 0.04 1.57 3.64 -1.34 0.32 116.57 120.17 2x3x h LYS 111 Ca -0.06 -0.02 -0.25 0.00 -1.27 0.00 0.00 60.65 59.05 2x3x h LYS 111 Cb 0.75 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.52 2x3x h LYS 111 CO 0.04 0.18 -1.05 -0.97 -2.27 0.00 0.00 179.45 175.38 2x3x h ASN 112 N 0.28 0.60 -0.38 4.20 -0.73 -1.47 -2.88 115.58 115.20 2x3x h ASN 112 Ca 0.60 -0.52 -0.16 0.00 1.87 0.00 0.00 56.30 58.09 2x3x h ASN 112 Cb 1.24 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 39.64 2x3x h ASN 112 CO -0.62 1.34 -0.38 -0.25 -0.37 0.00 0.00 177.43 177.15 2x3x h TRP 113 N 0.23 1.12 -0.41 0.67 7.01 0.27 -2.35 115.95 122.49 2x3x h TRP 113 Ca -0.11 -0.33 0.05 0.00 2.11 0.00 0.00 58.89 60.60 2x3x h TRP 113 Cb 1.71 -0.24 -0.04 0.00 -2.10 0.00 0.00 29.16 28.49 2x3x h TRP 113 CO 0.07 1.16 0.16 0.37 -2.79 0.00 0.00 178.44 177.42 2x3x h GLN 114 N 0.75 0.33 -0.92 2.65 4.15 -1.03 0.30 115.11 121.34 2x3x h GLN 114 Ca 0.06 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.47 2x3x h GLN 114 Cb 0.97 -0.07 -0.05 0.00 0.21 0.00 0.00 27.48 28.54 2x3x h GLN 114 CO 0.09 0.22 0.59 -0.22 -1.93 0.00 0.00 178.83 177.58 2x3x h LYS 115 N 0.34 1.23 0.20 1.69 3.64 -1.46 -2.33 116.57 119.88 2x3x h LYS 115 Ca 0.19 -0.09 -0.35 0.00 -1.27 0.00 0.00 60.65 59.13 2x3x h LYS 115 Cb 0.15 -0.27 0.02 0.00 -0.41 0.00 0.00 32.23 31.72 2x3x h LYS 115 CO -0.17 0.83 -1.71 0.22 -2.27 0.00 0.00 179.45 176.35 2x3x h ASP 116 N 1.26 0.67 0.16 4.20 1.82 -0.85 -3.38 116.42 120.30 2x3x h ASP 116 Ca 0.34 -0.94 -0.01 0.00 -0.39 0.00 0.00 57.03 56.03 2x3x h ASP 116 Cb -0.11 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 39.69 2x3x h ASP 116 CO -0.07 1.78 -0.08 0.00 -1.61 0.00 0.00 179.24 179.26 2x3x h ALA 117 N 0.12 -0.22 -2.38 -0.78 0.00 -0.48 -3.45 119.26 112.07 2x3x h ALA 117 Ca -0.33 -0.23 -0.51 0.00 0.00 0.00 0.00 54.91 53.85 2x3x h ALA 117 Cb 2.12 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.99 2x3x h ALA 117 CO 0.20 -0.32 -0.03 0.71 0.00 0.00 0.00 179.25 179.81 2x3x s TYR 118 N -3.61 3.48 -0.06 0.00 2.02 -0.88 -5.01 117.35 113.28 2x3x s TYR 118 Ca -0.13 0.81 -0.00 0.00 -0.37 0.00 0.00 57.07 57.38 2x3x s TYR 118 Cb 0.01 -2.25 0.02 0.00 -0.40 0.00 0.00 41.96 39.34 2x3x s TYR 118 CO 0.50 0.04 -0.02 -1.01 -1.57 0.00 0.00 175.55 173.49 2x3x s HIS 119 N -2.22 0.72 0.39 2.71 3.76 -1.26 -4.65 115.29 114.74 2x3x s HIS 119 Ca 0.47 -0.20 -0.25 0.00 -0.15 0.00 0.00 55.06 54.93 2x3x s HIS 119 Cb -0.10 -0.74 -0.09 0.00 1.11 0.00 0.00 32.58 32.76 2x3x s HIS 119 CO 0.31 -0.27 1.13 0.15 -0.85 0.00 0.00 174.74 175.22 2x3x s LYS 120 N 1.44 4.14 -0.32 1.40 -0.14 -1.26 -2.41 119.74 122.58 2x3x s LYS 120 Ca -0.03 1.75 0.02 0.00 -1.36 0.00 0.00 55.97 56.36 2x3x s LYS 120 Cb -0.13 -2.69 0.10 0.00 -1.68 0.00 0.00 37.83 33.42 2x3x s LYS 120 CO -0.03 -0.22 0.05 -1.14 -0.76 0.00 0.00 175.35 173.25 2x3x s GLN 121 N -2.27 1.29 0.36 1.68 0.74 -1.24 -4.82 119.66 115.41 2x3x s GLN 121 Ca 0.56 -1.59 0.17 0.00 0.05 0.00 0.00 55.36 54.55 2x3x s GLN 121 Cb -0.29 -2.82 1.14 0.00 1.10 0.00 0.00 33.01 32.14 2x3x s GLN 121 CO 0.36 -0.93 1.67 -0.84 -0.55 0.00 0.00 175.29 175.00 2x3x h ILE 122 N 6.58 0.31 -3.62 -2.34 -0.00 -1.96 -2.26 117.51 114.22 2x3x h ILE 122 Ca -0.08 -0.10 -0.75 0.00 -0.00 0.00 0.00 64.86 63.93 2x3x h ILE 122 Cb 1.02 -0.02 -0.29 0.00 -0.00 0.00 0.00 36.82 37.53 2x3x h ILE 122 CO 0.50 0.06 -0.12 -0.32 -0.00 0.00 0.00 178.15 178.27 2x3x s MET 123 N -5.59 3.12 0.00 0.16 1.75 -1.26 -4.98 119.30 112.51 2x3x s MET 123 Ca -0.09 -2.34 0.00 0.00 -1.25 0.00 0.00 55.69 52.00 2x3x s MET 123 Cb 0.29 -4.16 0.00 0.00 2.84 0.00 0.00 34.83 33.81 2x3x s MET 123 CO 0.80 -1.25 0.00 0.41 -0.65 0.00 0.00 175.02 174.33 2x3x n GLY 124 N 4.04 1.91 0.00 2.11 0.00 -0.85 -5.05 105.19 107.35 2x3x n GLY 124 Ca 0.07 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 44.04 2x3x n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x3x n GLY 125 N -1.47 0.97 3.14 -0.02 0.00 -1.26 -4.46 105.19 102.08 2x3x n GLY 125 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2x3x n GLY 125 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2x3x s PHE 126 N 0.00 1.27 0.48 1.61 0.40 -1.26 -3.59 117.98 116.89 2x3x s PHE 126 Ca 0.00 -0.32 0.17 0.00 -0.60 0.00 0.00 56.93 56.18 2x3x s PHE 126 Cb 0.00 -0.78 1.18 0.00 0.51 0.00 0.00 43.02 43.93 2x3x s PHE 126 CO 0.00 0.02 2.04 0.87 0.70 0.00 0.00 175.22 178.85 2x3x h LYS 127 N 5.20 0.20 0.00 0.44 1.57 -1.79 0.83 116.57 123.02 2x3x h LYS 127 Ca -0.37 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.27 2x3x h LYS 127 Cb 1.17 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 2x3x h LYS 127 CO 0.45 0.13 -0.62 0.93 -0.57 0.00 0.00 179.45 179.77 2x3x h GLU 128 N 0.20 0.00 0.13 3.15 3.07 -1.95 -1.34 114.58 117.83 2x3x h GLU 128 Ca 0.18 0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 58.85 2x3x h GLU 128 Cb 0.46 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.39 2x3x h GLU 128 CO -0.03 0.62 -0.85 1.15 -1.40 0.00 0.00 179.01 178.50 2x3x h THR 129 N 0.00 1.45 0.12 1.13 2.02 -1.71 -3.31 112.91 112.61 2x3x h THR 129 Ca -0.01 -2.50 -0.01 0.00 0.77 0.00 0.00 66.41 64.67 2x3x h THR 129 Cb 1.31 3.13 0.00 0.00 -1.74 0.00 0.00 68.15 70.85 2x3x h THR 129 CO 0.08 0.70 -0.06 0.50 0.37 0.00 0.00 175.52 177.11 2x3x h LYS 130 N -0.42 -0.16 -0.02 6.66 3.64 -0.92 -2.30 116.57 123.06 2x3x h LYS 130 Ca -0.16 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.25 2x3x h LYS 130 Cb 1.61 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.44 2x3x h LYS 130 CO 0.12 0.17 -0.09 1.49 -2.27 0.00 0.00 179.45 178.87 2x3x h GLU 131 N -0.50 -0.15 -0.63 1.90 4.81 -1.45 -0.20 114.58 118.37 2x3x h GLU 131 Ca -0.02 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 2x3x h GLU 131 Cb 0.40 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.77 2x3x h GLU 131 CO 0.03 -0.10 0.36 0.00 -0.73 0.00 0.00 179.01 178.57 2x3x h ALA 132 N 0.84 0.83 -0.52 2.92 0.00 -1.65 -1.90 119.26 119.78 2x3x h ALA 132 Ca 0.04 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.99 2x3x h ALA 132 Cb 0.21 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 2x3x h ALA 132 CO -0.11 0.07 0.28 1.49 0.00 0.00 0.00 179.25 180.97 2x3x h GLU 133 N 0.69 0.53 -0.28 0.00 4.22 -0.93 -2.37 114.58 116.44 2x3x h GLU 133 Ca 0.27 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.68 2x3x h GLU 133 Cb 0.11 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2x3x h GLU 133 CO -0.14 0.35 0.18 -0.44 -2.18 0.00 0.00 179.01 176.78 2x3x h ASP 134 N 0.55 0.32 -0.50 1.04 3.45 -0.66 -1.82 116.42 118.79 2x3x h ASP 134 Ca 0.22 -0.01 0.06 0.00 0.43 0.00 0.00 57.03 57.74 2x3x h ASP 134 Cb 0.10 -0.08 -0.05 0.00 -0.56 0.00 0.00 39.33 38.74 2x3x h ASP 134 CO -0.14 0.23 0.21 1.23 -1.57 0.00 0.00 179.24 179.20 2x3x h GLY 135 N 0.38 0.69 0.88 2.75 0.00 -1.04 0.13 103.07 106.85 2x3x h GLY 135 Ca 0.10 -0.13 0.01 0.00 0.00 0.00 0.00 47.33 47.32 2x3x h GLY 135 CO -0.03 0.04 0.01 0.74 0.00 0.00 0.00 176.54 177.30 2x3x h PHE 136 N 0.41 0.01 -0.84 5.60 0.05 -1.33 -2.28 116.94 118.55 2x3x h PHE 136 Ca 0.24 0.01 0.01 0.00 3.82 0.00 0.00 57.97 62.04 2x3x h PHE 136 Cb 0.22 0.01 -0.04 0.00 2.00 0.00 0.00 35.95 38.14 2x3x h PHE 136 CO -0.14 -0.00 0.55 -0.09 -0.18 0.00 0.00 178.31 178.45 2x3x h ARG 137 N 0.04 1.11 -0.35 1.51 2.43 -0.48 -1.58 114.38 117.07 2x3x h ARG 137 Ca 0.04 -0.07 -0.15 0.00 -0.81 0.00 0.00 59.98 58.99 2x3x h ARG 137 Cb 0.04 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.34 2x3x h ARG 137 CO -0.07 0.74 -0.39 -0.22 -1.51 0.00 0.00 179.97 178.53 2x3x h LYS 138 N 1.15 0.85 0.00 0.20 3.11 -0.69 -1.98 116.57 119.21 2x3x h LYS 138 Ca 0.31 -0.44 -0.02 0.00 -2.81 0.00 0.00 60.65 57.68 2x3x h LYS 138 Cb -0.12 0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 31.12 2x3x h LYS 138 CO -0.07 1.08 -0.12 0.00 -2.81 0.00 0.00 179.45 177.54 2x3x h ALA 139 N 0.86 1.10 -0.64 5.00 0.00 -1.14 -2.52 119.26 121.92 2x3x h ALA 139 Ca 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2x3x h ALA 139 Cb 0.96 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2x3x h ALA 139 CO 0.09 0.15 0.00 0.94 0.00 0.00 0.00 179.25 180.43 2x3x n GLN 140 N -3.38 2.95 -0.02 0.00 7.27 -0.62 -4.47 117.38 119.11 2x3x n GLN 140 Ca -0.01 -2.48 -0.13 0.00 0.07 0.00 0.00 57.00 54.46 2x3x n GLN 140 Cb 0.31 -1.66 -0.08 0.00 2.41 0.00 0.00 30.24 31.22 2x3x n GLN 140 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 2x3x h LYS 141 N 3.82 0.10 -0.28 3.69 1.63 -0.91 -0.98 116.57 123.64 2x3x h LYS 141 Ca 0.00 -0.04 -0.06 0.00 -0.85 0.00 0.00 60.65 59.70 2x3x h LYS 141 Cb 1.09 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.70 2x3x h LYS 141 CO 0.09 0.46 -0.04 -1.35 -3.45 0.00 0.00 179.45 175.16 2x3x h PRO 142 N -0.28 0.53 -0.80 1.90 0.11 -1.79 -2.90 132.00 128.77 2x3x h PRO 142 Ca 0.01 -0.19 -0.02 0.00 0.11 0.00 0.00 66.00 65.91 2x3x h PRO 142 Cb 0.43 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.47 2x3x h PRO 142 CO 0.01 0.71 0.44 2.35 -0.21 0.00 0.00 178.00 181.30 2x3x h TRP 143 N 0.30 1.11 -0.17 0.65 2.91 -1.82 -1.35 115.95 117.57 2x3x h TRP 143 Ca 0.07 -0.03 0.05 0.00 1.13 0.00 0.00 58.89 60.12 2x3x h TRP 143 Cb 0.50 -0.35 -0.07 0.00 -0.51 0.00 0.00 29.16 28.74 2x3x h TRP 143 CO 0.05 0.77 -0.30 0.00 -1.03 0.00 0.00 178.44 177.93 2x3x h ALA 144 N 1.23 -0.31 -0.18 2.65 0.00 -1.10 0.16 119.26 121.71 2x3x h ALA 144 Ca 0.28 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 2x3x h ALA 144 Cb 0.04 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2x3x h ALA 144 CO -0.05 -0.76 -0.01 -0.22 0.00 0.00 0.00 179.25 178.21 2x3x h LYS 145 N -0.36 0.32 0.00 0.00 3.64 -1.36 -3.02 116.57 115.80 2x3x h LYS 145 Ca 0.11 -0.11 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 2x3x h LYS 145 Cb 0.52 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 2x3x h LYS 145 CO -0.37 0.55 -0.24 0.87 -2.27 0.00 0.00 179.45 177.99 2x3x h LYS 146 N 0.06 0.00 0.00 1.90 6.56 -1.03 -1.13 116.57 122.93 2x3x h LYS 146 Ca 0.05 0.00 -0.07 0.00 -1.06 0.00 0.00 60.65 59.57 2x3x h LYS 146 Cb 0.41 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.06 2x3x h LYS 146 CO 0.01 0.24 -0.33 0.52 -2.06 0.00 0.00 179.45 177.83 2x3x h MET 147 N 0.00 0.00 0.01 3.15 2.86 -0.93 -0.52 114.93 119.50 2x3x h MET 147 Ca -0.00 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.44 2x3x h MET 147 Cb 0.46 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.13 2x3x h MET 147 CO 0.03 0.33 -0.78 -0.22 1.06 0.00 0.00 176.91 177.33 2x3x h LYS 148 N 0.00 0.51 -0.59 1.72 1.63 -1.12 -2.90 116.57 115.82 2x3x h LYS 148 Ca -0.00 -0.56 -0.03 0.00 -0.85 0.00 0.00 60.65 59.21 2x3x h LYS 148 Cb 0.92 0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 32.69 2x3x h LYS 148 CO 0.04 1.19 0.26 0.93 -3.45 0.00 0.00 179.45 178.42 2x3x h GLU 149 N 0.05 0.86 -0.97 1.90 5.08 -1.17 -2.21 114.58 118.13 2x3x h GLU 149 Ca -0.10 -0.14 0.06 0.00 -1.00 0.00 0.00 59.36 58.17 2x3x h GLU 149 Cb 1.48 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 30.52 2x3x h GLU 149 CO 0.15 0.72 0.62 1.25 -1.00 0.00 0.00 179.01 180.76 2x3x h LEU 150 N 0.80 1.01 -0.22 1.33 7.12 -1.16 -0.22 115.31 123.97 2x3x h LEU 150 Ca 0.20 0.01 -0.21 0.00 0.13 0.00 0.00 57.88 58.00 2x3x h LEU 150 Cb 0.16 -0.21 0.01 0.00 -0.53 0.00 0.00 40.66 40.09 2x3x h LEU 150 CO -0.02 0.66 -0.78 -0.08 -0.13 0.00 0.00 178.44 178.09 2x3x h GLU 151 N 1.16 0.68 -0.35 1.25 4.57 -1.28 0.23 114.58 120.84 2x3x h GLU 151 Ca 0.41 -0.56 -0.01 0.00 -1.18 0.00 0.00 59.36 58.02 2x3x h GLU 151 Cb 0.12 0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 2x3x h GLU 151 CO -0.16 1.18 0.18 0.00 -1.18 0.00 0.00 179.01 179.03 2x3x h ALA 152 N 0.66 0.45 -0.21 2.92 0.00 -1.21 -1.34 119.26 120.53 2x3x h ALA 152 Ca -0.05 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2x3x h ALA 152 Cb 1.39 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2x3x h ALA 152 CO 0.15 -0.01 -0.05 0.00 0.00 0.00 0.00 179.25 179.34 2x3x h ALA 153 N 1.04 1.53 0.05 0.00 0.00 -0.88 0.22 119.26 121.23 2x3x h ALA 153 Ca 0.12 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2x3x h ALA 153 Cb 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2x3x h ALA 153 CO -0.02 0.34 -0.02 -0.22 0.00 0.00 0.00 179.25 179.32 2x3x h LYS 154 N 0.31 -0.07 0.26 0.00 3.64 -0.19 -2.57 116.57 117.95 2x3x h LYS 154 Ca 0.07 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 2x3x h LYS 154 Cb 0.29 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 2x3x h LYS 154 CO 0.01 0.23 -0.12 0.87 -2.27 0.00 0.00 179.45 178.17 2x3x h LYS 155 N -0.37 -0.34 -0.91 1.90 1.57 -1.04 -0.15 116.57 117.24 2x3x h LYS 155 Ca -0.01 0.02 0.25 0.00 -1.87 0.00 0.00 60.65 59.04 2x3x h LYS 155 Cb 0.33 0.08 -0.16 0.00 0.08 0.00 0.00 32.23 32.56 2x3x h LYS 155 CO 0.01 -0.12 0.10 0.00 -0.57 0.00 0.00 179.45 178.88 2x3x h ALA 156 N 0.20 1.17 0.23 3.86 0.00 -0.63 0.23 119.26 124.31 2x3x h ALA 156 Ca -0.04 0.28 -0.34 0.00 0.00 0.00 0.00 54.91 54.82 2x3x h ALA 156 Cb 0.38 0.47 0.03 0.00 0.00 0.00 0.00 17.79 18.67 2x3x h ALA 156 CO 0.06 -0.53 -1.53 -0.92 0.00 0.00 0.00 179.25 176.33 2x3x h TYR 157 N 0.09 0.90 -0.34 0.00 5.03 -1.39 -2.84 116.97 118.42 2x3x h TYR 157 Ca 0.56 -0.66 -0.08 0.00 2.58 0.00 0.00 58.73 61.13 2x3x h TYR 157 Cb 1.14 -0.04 -0.02 0.00 1.55 0.00 0.00 36.73 39.37 2x3x h TYR 157 CO -0.40 1.57 -0.13 0.45 -1.32 0.00 0.00 178.16 178.33 2x3x h HIS 158 N 0.13 0.64 0.19 -3.82 3.86 0.31 -1.48 115.15 114.99 2x3x h HIS 158 Ca -0.27 -0.11 -0.31 0.00 -1.16 0.00 0.00 60.37 58.53 2x3x h HIS 158 Cb 2.15 -0.17 0.02 0.00 1.06 0.00 0.00 27.41 30.47 2x3x h HIS 158 CO 0.12 0.70 -1.45 1.37 0.86 0.00 0.00 177.93 179.53 2x3x h LEU 159 N 0.54 0.64 -1.54 2.43 -0.00 -0.74 -2.43 115.31 114.22 2x3x h LEU 159 Ca 0.10 -0.92 -0.05 0.00 -0.00 0.00 0.00 57.88 57.01 2x3x h LEU 159 Cb 0.54 -0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 40.99 2x3x h LEU 159 CO 0.03 1.67 -0.23 0.00 -0.00 0.00 0.00 178.44 179.92 2x3x h ALA 160 N 0.09 1.33 0.01 0.17 0.00 -1.54 -3.13 119.26 116.18 2x3x h ALA 160 Ca -0.28 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 2x3x h ALA 160 Cb 1.99 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.75 2x3x h ALA 160 CO 0.19 0.29 -0.24 0.00 0.00 0.00 0.00 179.25 179.49 2x3x h LYS 162 N -0.56 0.16 0.08 0.00 3.64 -1.37 -2.29 116.57 116.23 2x3x h LYS 162 Ca -0.03 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.35 2x3x h LYS 162 Cb 1.02 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.77 2x3x h LYS 162 CO 0.05 0.10 -0.38 0.93 -2.27 0.00 0.00 179.45 177.88 2x3x h GLU 163 N 0.16 -0.52 -0.90 1.90 4.39 -1.66 -2.56 114.58 115.40 2x3x h GLU 163 Ca 0.58 0.04 0.25 0.00 0.34 0.00 0.00 59.36 60.56 2x3x h GLU 163 Cb 1.20 0.12 -0.14 0.00 -0.10 0.00 0.00 28.75 29.83 2x3x h GLU 163 CO -0.71 -0.35 0.27 1.49 -1.16 0.00 0.00 179.01 178.56 2x3x h GLU 164 N -0.54 0.21 0.16 2.33 4.81 -1.55 1.39 114.58 121.40 2x3x h GLU 164 Ca -0.00 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2x3x h GLU 164 Cb 0.54 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.88 2x3x h GLU 164 CO -0.21 0.14 -0.07 -0.09 -0.73 0.00 0.00 179.01 178.05 2x3x h ARG 165 N 0.22 -0.20 0.00 1.92 1.12 -1.50 -2.42 114.38 113.52 2x3x h ARG 165 Ca 0.57 0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.46 2x3x h ARG 165 Cb 1.18 0.05 0.00 0.00 -0.01 0.00 0.00 29.97 31.19 2x3x h ARG 165 CO -0.65 0.18 -0.29 -0.07 -3.11 0.00 0.00 179.97 176.03 2x3x h LEU 166 N -0.64 0.00 -1.27 3.80 -0.00 -0.96 -3.30 115.31 112.93 2x3x h LEU 166 Ca -0.02 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.84 2x3x h LEU 166 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.14 2x3x h LEU 166 CO 0.04 0.01 -0.13 0.00 -0.00 0.00 0.00 178.44 178.36 2x3x n ALA 167 N -2.04 2.80 1.04 1.53 0.00 0.47 -3.24 120.51 121.07 2x3x n ALA 167 Ca 0.03 -0.57 0.11 0.00 0.00 0.00 0.00 53.44 53.02 2x3x n ALA 167 Cb 0.51 -0.95 0.13 0.00 0.00 0.00 0.00 19.45 19.13 2x3x n ALA 167 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2x3x n MET 168 N 0.46 0.27 0.26 0.00 0.00 -0.91 -3.55 117.12 113.66 2x3x n MET 168 Ca 0.14 -0.19 0.15 0.00 -0.00 0.00 0.00 57.70 57.79 2x3x n MET 168 Cb 0.47 -1.50 0.65 0.00 0.00 0.00 0.00 33.22 32.84 2x3x n MET 168 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 2x3x h THR 169 N 0.47 0.27 0.00 1.12 2.02 -1.65 -1.68 112.91 113.47 2x3x h THR 169 Ca 0.00 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.49 2x3x h THR 169 Cb 0.53 1.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.48 2x3x h THR 169 CO 0.00 0.09 -1.30 -1.14 0.37 0.00 0.00 175.52 173.54 2x3x n ARG 170 N -3.28 0.56 -0.01 6.66 0.63 -1.25 -3.85 116.66 116.12 2x3x n ARG 170 Ca -0.00 0.00 -0.17 0.00 -0.92 0.00 0.00 57.85 56.76 2x3x n ARG 170 Cb 0.32 -1.69 -0.09 0.00 0.45 0.00 0.00 32.46 31.45 2x3x n ARG 170 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 2x3x h GLU 171 N 0.00 0.53 -0.01 -0.14 4.22 -1.54 -3.23 114.58 114.41 2x3x h GLU 171 Ca 0.00 -0.48 0.00 0.00 0.08 0.00 0.00 59.36 58.96 2x3x h GLU 171 Cb 0.94 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 2x3x h GLU 171 CO 0.00 1.11 0.01 0.00 -2.18 0.00 0.00 179.01 177.95 2x3x h MET 172 N 0.12 0.00 -0.09 1.92 -0.00 -1.47 -2.03 114.93 113.38 2x3x h MET 172 Ca -0.06 0.00 0.03 0.00 -0.00 0.00 0.00 59.70 59.67 2x3x h MET 172 Cb 1.27 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.86 2x3x h MET 172 CO 0.12 0.00 0.10 -0.91 -0.00 0.00 0.00 176.91 176.22 2x3x h ASN 173 N 0.00 0.00 0.00 -0.10 -0.26 -1.66 -2.61 115.58 110.95 2x3x h ASN 173 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2x3x h ASN 173 Cb 0.02 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.28 2x3x h ASN 173 CO -0.00 0.00 0.02 -0.24 -1.06 0.00 0.00 177.43 176.15 2x3x n SER 174 N -3.86 0.00 -0.00 5.81 2.88 -0.77 -1.57 113.62 116.11 2x3x n SER 174 Ca -0.01 0.46 0.04 0.00 -1.33 0.00 0.00 58.87 58.03 2x3x n SER 174 Cb 0.20 -0.46 -0.05 0.00 -0.75 0.00 0.00 64.21 63.15 2x3x n SER 174 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2x3x n LYS 175 N -1.46 3.36 0.06 -1.46 4.01 -0.98 -4.48 118.16 117.21 2x3x n LYS 175 Ca 0.00 -0.02 -0.03 0.00 -0.51 0.00 0.00 58.31 57.75 2x3x n LYS 175 Cb 0.02 -0.95 -0.01 0.00 -0.51 0.00 0.00 35.03 33.57 2x3x n LYS 175 CO 0.00 0.00 0.00 1.15 -1.11 0.00 0.00 177.40 177.44 2x3x h THR 176 N 0.00 0.00 0.00 -0.18 2.02 -1.41 -3.43 112.91 109.91 2x3x h THR 176 Ca 0.00 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 2x3x h THR 176 Cb 0.23 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.64 2x3x h THR 176 CO 0.00 0.00 -0.00 -0.33 0.37 0.00 0.00 175.52 175.56 2x3x h GLU 177 N -0.43 -0.00 0.00 6.66 5.08 -1.89 -3.51 114.58 120.49 2x3x h GLU 177 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2x3x h GLU 177 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2x3x h GLU 177 CO 0.03 -0.00 0.00 0.94 -1.00 0.00 0.00 179.01 178.98 2x3x n GLN 178 N -2.67 0.00 -3.77 2.33 7.27 -1.26 -5.07 117.38 114.21 2x3x n GLN 178 Ca -0.00 0.00 -0.24 0.00 0.07 0.00 0.00 57.00 56.83 2x3x n GLN 178 Cb 0.00 0.00 0.02 0.00 2.41 0.00 0.00 30.24 32.67 2x3x n GLN 178 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 2x3x n SER 179 N 0.00 -1.49 0.00 1.69 7.64 -1.26 -4.44 113.62 115.76 2x3x n SER 179 Ca 0.00 -0.90 0.00 0.00 1.01 0.00 0.00 58.87 58.98 2x3x n SER 179 Cb 0.00 -3.67 0.00 0.00 -1.01 0.00 0.00 64.21 59.53 2x3x n SER 179 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2x3x n VAL 180 N -4.28 0.00 -1.82 0.44 0.31 -1.26 -4.72 118.33 107.00 2x3x n VAL 180 Ca -0.27 1.10 -0.35 0.00 -0.01 0.00 0.00 64.34 64.80 2x3x n VAL 180 Cb 0.67 -2.02 0.05 0.00 -0.91 0.00 0.00 33.84 31.63 2x3x n VAL 180 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2x3x s THR 181 N -1.81 2.71 -1.65 2.52 2.01 -1.26 -4.91 115.64 113.24 2x3x s THR 181 Ca 0.00 0.39 0.13 0.00 0.31 0.00 0.00 61.69 62.52 2x3x s THR 181 Cb 0.00 -3.03 0.29 0.00 0.01 0.00 0.00 72.50 69.77 2x3x s THR 181 CO 0.00 -0.14 1.30 -2.65 -0.69 0.00 0.00 174.62 172.44 2x3x n PRO 182 N -2.05 0.28 -0.32 4.92 -0.02 -1.26 -3.07 135.00 133.49 2x3x n PRO 182 Ca 0.13 0.10 0.09 0.00 -2.02 0.00 0.00 63.50 61.80 2x3x n PRO 182 Cb 0.50 -1.50 0.26 0.00 -0.02 0.00 0.00 33.50 32.74 2x3x n PRO 182 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2x3x h GLU 183 N 0.00 0.67 0.00 -0.52 4.57 -1.95 -1.96 114.58 115.39 2x3x h GLU 183 Ca 0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2x3x h GLU 183 Cb 0.07 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.51 2x3x h GLU 183 CO 0.00 0.44 -0.97 0.94 -1.18 0.00 0.00 179.01 178.24 2x3x n GLN 184 N -4.83 0.11 -1.82 1.92 7.27 -1.17 -4.41 117.38 114.46 2x3x n GLN 184 Ca 0.19 -0.02 -0.33 0.00 0.07 0.00 0.00 57.00 56.92 2x3x n GLN 184 Cb 0.48 -1.52 0.04 0.00 2.41 0.00 0.00 30.24 31.65 2x3x n GLN 184 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 2x3x n GLN 185 N -1.65 3.01 0.00 3.69 7.27 -0.76 -4.71 117.38 124.22 2x3x n GLN 185 Ca 0.03 -3.72 0.00 0.00 0.07 0.00 0.00 57.00 53.38 2x3x n GLN 185 Cb 0.37 -2.28 0.00 0.00 2.41 0.00 0.00 30.24 30.75 2x3x n GLN 185 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 2x3x n LYS 186 N -0.70 0.00 -1.98 3.69 4.76 -1.04 -3.95 118.16 118.94 2x3x n LYS 186 Ca 0.53 0.57 -0.09 0.00 -2.87 0.00 0.00 58.31 56.45 2x3x n LYS 186 Cb 0.60 -1.50 0.06 0.00 -1.84 0.00 0.00 35.03 32.35 2x3x n LYS 186 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2x3x n LYS 187 N -2.14 2.38 -0.09 1.97 5.02 -1.26 -4.41 118.16 119.63 2x3x n LYS 187 Ca 0.00 -3.62 -0.14 0.00 -2.02 0.00 0.00 58.31 52.53 2x3x n LYS 187 Cb 0.00 -1.75 -0.05 0.00 -0.02 0.00 0.00 35.03 33.22 2x3x n LYS 187 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2x3x h LEU 188 N 2.00 0.76 0.00 -0.35 6.46 -1.85 -3.23 115.31 119.11 2x3x h LEU 188 Ca 0.10 -0.49 -0.24 0.00 -0.12 0.00 0.00 57.88 57.13 2x3x h LEU 188 Cb 1.41 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 41.08 2x3x h LEU 188 CO 0.40 1.11 -1.91 1.33 -0.62 0.00 0.00 178.44 178.75 2x3x n VAL 189 N -4.23 0.91 -0.15 1.05 0.24 -1.26 -3.88 118.33 111.01 2x3x n VAL 189 Ca -0.04 -0.45 -0.05 0.00 -2.04 0.00 0.00 64.34 61.76 2x3x n VAL 189 Cb 0.50 -0.88 0.16 0.00 -1.47 0.00 0.00 33.84 32.15 2x3x n VAL 189 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2x3x n ASP 190 N -2.74 3.53 0.07 -1.34 10.43 -1.26 -3.08 116.55 122.17 2x3x n ASP 190 Ca -0.25 -2.71 -0.17 0.00 2.57 0.00 0.00 54.79 54.23 2x3x n ASP 190 Cb 0.86 -0.65 -0.14 0.00 1.84 0.00 0.00 41.12 43.03 2x3x n ASP 190 CO 0.00 0.00 0.00 0.07 -1.07 0.00 0.00 177.20 176.20 2x3x h LYS 191 N 1.38 0.27 0.00 -1.24 5.09 -1.83 -3.36 116.57 116.88 2x3x h LYS 191 Ca 0.18 -0.46 0.00 0.00 0.09 0.00 0.00 60.65 60.46 2x3x h LYS 191 Cb 1.69 0.17 0.00 0.00 0.10 0.00 0.00 32.23 34.19 2x3x h LYS 191 CO 0.45 1.15 0.00 1.33 -2.09 0.00 0.00 179.45 180.29 2x3x n VAL 192 N -3.48 0.00 0.04 0.07 0.24 -1.18 -1.10 118.33 112.92 2x3x n VAL 192 Ca -0.15 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.08 2x3x n VAL 192 Cb 1.04 -0.60 -0.05 0.00 -1.47 0.00 0.00 33.84 32.77 2x3x n VAL 192 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 2x3x h ASP 193 N 0.00 -0.18 0.21 -1.34 5.19 -1.78 -3.06 116.42 115.47 2x3x h ASP 193 Ca 0.00 -0.20 -0.28 0.00 -0.62 0.00 0.00 57.03 55.93 2x3x h ASP 193 Cb 0.00 0.05 0.02 0.00 0.18 0.00 0.00 39.33 39.57 2x3x h ASP 193 CO 0.00 0.38 -1.15 0.50 -3.12 0.00 0.00 179.24 175.85 2x3x h LYS 194 N -1.00 0.55 -1.00 3.56 3.64 -1.78 -3.08 116.57 117.46 2x3x h LYS 194 Ca -0.02 -0.69 0.14 0.00 -1.27 0.00 0.00 60.65 58.80 2x3x h LYS 194 Cb 0.37 0.22 -0.09 0.00 -0.41 0.00 0.00 32.23 32.32 2x3x h LYS 194 CO 0.03 1.29 0.63 0.00 -2.27 0.00 0.00 179.45 179.14 2x3x h ARG 196 N 0.93 0.56 0.00 0.00 1.12 -1.62 -1.93 114.38 113.45 2x3x h ARG 196 Ca 0.52 -0.33 -0.05 0.00 -1.11 0.00 0.00 59.98 59.01 2x3x h ARG 196 Cb 0.59 0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.57 2x3x h ARG 196 CO -0.29 0.93 -0.25 0.37 -3.11 0.00 0.00 179.97 177.62 2x3x h GLN 197 N 0.23 0.00 -0.36 0.20 5.75 -1.11 -1.21 115.11 118.61 2x3x h GLN 197 Ca 0.02 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.41 2x3x h GLN 197 Cb 0.87 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.41 2x3x h GLN 197 CO 0.07 0.25 -0.22 0.22 -2.65 0.00 0.00 178.83 176.50 2x3x h ASP 198 N 0.00 0.70 -0.18 -0.69 3.58 0.31 -0.42 116.42 119.71 2x3x h ASP 198 Ca -0.00 -0.24 -0.11 0.00 0.42 0.00 0.00 57.03 57.09 2x3x h ASP 198 Cb 0.56 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 2x3x h ASP 198 CO 0.03 0.90 -0.26 0.58 -2.88 0.00 0.00 179.24 177.61 2x3x h VAL 199 N 0.61 1.27 0.14 2.25 2.07 -0.50 -2.91 116.25 119.19 2x3x h VAL 199 Ca 0.09 -1.36 -0.31 0.00 0.82 0.00 0.00 66.70 65.93 2x3x h VAL 199 Cb 0.70 1.31 -0.00 0.00 -1.52 0.00 0.00 31.29 31.78 2x3x h VAL 199 CO 0.05 0.44 -1.55 -0.61 0.02 0.00 0.00 177.57 175.92 2x3x h GLN 200 N 0.57 0.30 0.00 1.57 4.15 -1.09 -2.22 115.11 118.38 2x3x h GLN 200 Ca 0.08 -0.51 -0.08 0.00 0.77 0.00 0.00 58.65 58.90 2x3x h GLN 200 Cb 0.75 0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.61 2x3x h GLN 200 CO 0.06 1.18 -0.39 -0.22 -1.93 0.00 0.00 178.83 177.53 2x3x h LYS 201 N 0.08 0.00 0.10 1.69 3.11 -1.18 -3.01 116.57 117.36 2x3x h LYS 201 Ca -0.26 0.00 -0.28 0.00 -2.81 0.00 0.00 60.65 57.30 2x3x h LYS 201 Cb 2.04 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 33.26 2x3x h LYS 201 CO 0.18 0.39 -1.38 0.00 -2.81 0.00 0.00 179.45 175.83 2x3x h THR 202 N 0.00 1.33 0.00 1.00 1.03 -1.57 -3.27 112.91 111.42 2x3x h THR 202 Ca -0.00 -2.96 -0.01 0.00 -0.01 0.00 0.00 66.41 63.42 2x3x h THR 202 Cb 0.90 2.82 -0.00 0.00 -1.07 0.00 0.00 68.15 70.79 2x3x h THR 202 CO 0.05 0.84 -0.07 -0.61 -0.01 0.00 0.00 175.52 175.73 2x3x h GLN 203 N 0.06 0.00 -0.41 0.00 4.15 -1.38 -2.92 115.11 114.61 2x3x h GLN 203 Ca -0.18 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.15 2x3x h GLN 203 Cb 1.97 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.65 2x3x h GLN 203 CO 0.17 0.07 -0.09 1.49 -1.93 0.00 0.00 178.83 178.54 2x3x h GLU 204 N 0.00 0.79 0.00 1.69 4.81 -1.57 -1.44 114.58 118.85 2x3x h GLU 204 Ca -0.00 -0.30 -0.07 0.00 -0.13 0.00 0.00 59.36 58.87 2x3x h GLU 204 Cb 0.12 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 2x3x h GLU 204 CO 0.01 0.91 -0.32 -0.22 -0.73 0.00 0.00 179.01 178.66 2x3x h LYS 205 N 0.61 0.00 0.32 1.92 1.63 -1.64 0.12 116.57 119.53 2x3x h LYS 205 Ca 0.11 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.89 2x3x h LYS 205 Cb 0.61 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.24 2x3x h LYS 205 CO 0.04 0.32 -0.15 -0.92 -3.45 0.00 0.00 179.45 175.29 2x3x h TYR 206 N 0.00 -0.40 -0.52 1.91 -0.00 -1.33 -2.64 116.97 114.00 2x3x h TYR 206 Ca -0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.73 58.71 2x3x h TYR 206 Cb 0.69 0.13 -0.03 0.00 -0.00 0.00 0.00 36.73 37.53 2x3x h TYR 206 CO 0.00 -0.09 0.28 0.93 -0.00 0.00 0.00 178.16 179.28 2x3x h GLU 207 N -0.69 0.70 -0.03 1.82 5.08 -0.98 -1.10 114.58 119.39 2x3x h GLU 207 Ca -0.04 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 2x3x h GLU 207 Cb 0.48 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 2x3x h GLU 207 CO 0.07 0.52 -0.02 -0.22 -1.00 0.00 0.00 179.01 178.35 2x3x h LYS 208 N 0.71 0.06 0.00 2.33 3.64 -0.81 -2.24 116.57 120.27 2x3x h LYS 208 Ca 0.18 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 2x3x h LYS 208 Cb 0.01 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2x3x h LYS 208 CO -0.03 0.53 -0.09 -0.24 -2.27 0.00 0.00 179.45 177.34 2x3x h VAL 209 N -0.39 0.25 -0.25 2.00 3.04 -1.41 -2.64 116.25 116.84 2x3x h VAL 209 Ca 0.00 -0.72 -0.04 0.00 -1.01 0.00 0.00 66.70 64.94 2x3x h VAL 209 Cb 0.51 1.58 -0.01 0.00 -2.01 0.00 0.00 31.29 31.36 2x3x h VAL 209 CO 0.01 0.09 0.00 0.25 -1.01 0.00 0.00 177.57 176.91 2x3x h LEU 210 N 0.00 0.43 -0.22 3.16 5.85 -1.03 -2.79 115.31 120.72 2x3x h LEU 210 Ca -0.00 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.39 2x3x h LEU 210 Cb 0.57 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 2x3x h LEU 210 CO 0.01 0.64 0.07 -0.08 -0.34 0.00 0.00 178.44 178.73 2x3x h GLU 211 N 0.22 0.34 -0.89 1.25 4.81 -1.09 -2.72 114.58 116.51 2x3x h GLU 211 Ca 0.07 -0.08 0.09 0.00 -0.13 0.00 0.00 59.36 59.32 2x3x h GLU 211 Cb 0.41 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.68 2x3x h GLU 211 CO 0.01 0.44 0.57 0.22 -0.73 0.00 0.00 179.01 179.53 2x3x h ASP 212 N 0.18 0.81 0.63 1.04 1.82 -1.52 -0.93 116.42 118.45 2x3x h ASP 212 Ca 0.07 0.02 -0.02 0.00 -0.39 0.00 0.00 57.03 56.71 2x3x h ASP 212 Cb 0.24 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.09 2x3x h ASP 212 CO -0.00 0.48 -0.46 0.58 -1.61 0.00 0.00 179.24 178.22 2x3x h VAL 213 N 0.89 0.08 -0.71 2.25 2.07 -1.24 -2.57 116.25 117.01 2x3x h VAL 213 Ca 0.41 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.98 2x3x h VAL 213 Cb 0.39 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.19 2x3x h VAL 213 CO -0.17 0.00 0.47 1.23 0.02 0.00 0.00 177.57 179.12 2x3x h GLY 214 N -1.06 0.96 1.40 2.17 0.00 -1.01 -1.64 103.07 103.89 2x3x h GLY 214 Ca -0.08 -0.31 -0.14 0.00 0.00 0.00 0.00 47.33 46.80 2x3x h GLY 214 CO 0.03 0.25 -0.42 0.50 0.00 0.00 0.00 176.54 176.90 2x3x h LYS 215 N 0.78 0.66 -0.64 4.80 1.57 -1.17 -3.20 116.57 119.36 2x3x h LYS 215 Ca 0.30 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2x3x h LYS 215 Cb 0.19 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2x3x h LYS 215 CO -0.09 0.95 0.00 0.25 -0.57 0.00 0.00 179.45 179.99 2x3x n THR 216 N -4.03 1.91 -0.07 -0.16 -2.24 -0.88 -4.38 114.28 104.44 2x3x n THR 216 Ca -0.02 -1.23 -0.12 0.00 -2.27 0.00 0.00 64.05 60.42 2x3x n THR 216 Cb 0.54 0.10 -0.05 0.00 -2.10 0.00 0.00 70.33 68.81 2x3x n THR 216 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2x3x h THR 217 N 4.07 1.26 -0.50 4.28 2.02 -1.31 -2.62 112.91 120.10 2x3x h THR 217 Ca 0.00 -0.89 0.10 0.00 0.77 0.00 0.00 66.41 66.39 2x3x h THR 217 Cb 1.49 1.45 -0.09 0.00 -1.74 0.00 0.00 68.15 69.26 2x3x h THR 217 CO 0.25 0.27 -0.05 -0.65 0.37 0.00 0.00 175.52 175.71 2x3x h PRO 218 N 0.11 0.07 -0.96 6.66 0.11 -1.81 0.25 132.00 136.43 2x3x h PRO 218 Ca 0.06 -0.00 0.10 0.00 0.11 0.00 0.00 66.00 66.26 2x3x h PRO 218 Cb 0.41 -0.01 -0.07 0.00 0.11 0.00 0.00 31.00 31.43 2x3x h PRO 218 CO 0.01 0.04 0.62 1.96 -0.21 0.00 0.00 178.00 180.42 2x3x h GLN 219 N 0.07 0.98 -0.41 1.05 4.20 -1.84 0.38 115.11 119.54 2x3x h GLN 219 Ca 0.25 -0.06 -0.12 0.00 0.06 0.00 0.00 58.65 58.78 2x3x h GLN 219 Cb 0.38 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 2x3x h GLN 219 CO -0.46 0.65 -0.24 -0.92 -0.67 0.00 0.00 178.83 177.19 2x3x h TYR 220 N 1.00 0.96 0.29 2.96 3.20 -0.67 -2.65 116.97 122.06 2x3x h TYR 220 Ca 0.45 -0.23 -0.01 0.00 3.14 0.00 0.00 58.73 62.07 2x3x h TYR 220 Cb 0.37 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.41 2x3x h TYR 220 CO -0.00 0.99 -0.14 0.52 -1.64 0.00 0.00 178.16 177.89 2x3x h MET 221 N 0.73 -0.37 -0.28 1.82 2.86 0.15 -2.76 114.93 117.07 2x3x h MET 221 Ca 0.10 0.03 0.08 0.00 -2.06 0.00 0.00 59.70 57.84 2x3x h MET 221 Cb 0.77 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.50 2x3x h MET 221 CO 0.06 -0.25 0.21 1.05 1.06 0.00 0.00 176.91 179.05 2x3x h GLU 222 N -0.80 0.00 -0.16 1.72 4.11 -0.48 0.28 114.58 119.24 2x3x h GLU 222 Ca -0.04 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.25 2x3x h GLU 222 Cb 0.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2x3x h GLU 222 CO 0.06 0.00 -0.49 0.78 0.07 0.00 0.00 179.01 179.44 2x3x h GLY 223 N 0.00 0.47 1.58 1.06 0.00 -1.55 -2.84 103.07 101.78 2x3x h GLY 223 Ca 0.13 -0.51 -0.28 0.00 0.00 0.00 0.00 47.33 46.68 2x3x h GLY 223 CO -0.00 0.45 -1.25 -0.33 0.00 0.00 0.00 176.54 175.42 2x3x h MET 224 N 0.34 0.32 -0.70 4.80 2.86 -0.69 -3.22 114.93 118.64 2x3x h MET 224 Ca 0.02 -0.53 0.04 0.00 -2.06 0.00 0.00 59.70 57.17 2x3x h MET 224 Cb 0.98 0.19 -0.04 0.00 0.06 0.00 0.00 31.60 32.79 2x3x h MET 224 CO 0.09 1.24 0.46 0.93 1.06 0.00 0.00 176.91 180.69 2x3x h GLU 225 N 0.10 0.81 0.28 1.72 4.39 -1.25 -1.76 114.58 118.85 2x3x h GLU 225 Ca -0.15 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.51 2x3x h GLU 225 Cb 1.96 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 30.40 2x3x h GLU 225 CO 0.21 0.53 -0.43 1.96 -1.16 0.00 0.00 179.01 180.13 2x3x h GLN 226 N 0.83 -0.74 -0.21 2.33 1.08 -1.51 0.33 115.11 117.22 2x3x h GLN 226 Ca 0.28 0.05 -0.08 0.00 -1.45 0.00 0.00 58.65 57.45 2x3x h GLN 226 Cb 0.09 0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 2x3x h GLN 226 CO -0.08 -0.49 -0.24 0.28 -0.95 0.00 0.00 178.83 177.35 2x3x h VAL 227 N -0.77 1.25 0.03 -0.54 2.07 -1.61 -2.68 116.25 114.01 2x3x h VAL 227 Ca -0.01 -1.18 -0.00 0.00 0.82 0.00 0.00 66.70 66.32 2x3x h VAL 227 Cb 0.73 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 2x3x h VAL 227 CO -0.15 0.37 -0.01 0.15 0.02 0.00 0.00 177.57 177.94 2x3x h PHE 228 N 0.35 -0.04 -0.48 1.57 3.04 -1.04 -2.33 116.94 118.01 2x3x h PHE 228 Ca 0.06 -0.00 0.11 0.00 3.98 0.00 0.00 57.97 62.11 2x3x h PHE 228 Cb 0.61 0.01 -0.02 0.00 2.56 0.00 0.00 35.95 39.11 2x3x h PHE 228 CO 0.02 0.39 0.33 1.49 -2.02 0.00 0.00 178.31 178.52 2x3x h GLU 229 N -0.47 0.17 -0.08 1.11 4.57 -0.29 0.35 114.58 119.94 2x3x h GLU 229 Ca -0.00 -0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 58.06 2x3x h GLU 229 Cb 0.44 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 2x3x h GLU 229 CO 0.01 0.11 -0.42 1.96 -1.18 0.00 0.00 179.01 179.49 2x3x h GLN 230 N 0.18 0.17 0.00 1.92 4.20 -1.36 -2.72 115.11 117.49 2x3x h GLN 230 Ca 0.23 -0.08 -0.09 0.00 0.06 0.00 0.00 58.65 58.76 2x3x h GLN 230 Cb 0.66 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 2x3x h GLN 230 CO -0.04 0.56 -0.45 0.00 -0.67 0.00 0.00 178.83 178.24 2x3x h GLN 232 N 0.00 0.57 -0.38 0.00 1.08 -1.15 -1.05 115.11 114.17 2x3x h GLN 232 Ca -0.00 -0.43 0.08 0.00 -1.45 0.00 0.00 58.65 56.84 2x3x h GLN 232 Cb 0.90 0.08 -0.09 0.00 -0.05 0.00 0.00 27.48 28.32 2x3x h GLN 232 CO 0.06 1.05 -0.26 1.96 -0.95 0.00 0.00 178.83 180.69 2x3x h GLN 233 N 0.21 -0.19 -0.47 1.46 7.50 -1.50 0.22 115.11 122.33 2x3x h GLN 233 Ca -0.02 0.01 -0.08 0.00 0.50 0.00 0.00 58.65 59.06 2x3x h GLN 233 Cb 1.12 0.04 -0.02 0.00 0.05 0.00 0.00 27.48 28.67 2x3x h GLN 233 CO 0.10 -0.13 -0.03 0.35 -1.50 0.00 0.00 178.83 177.63 2x3x h PHE 234 N -0.20 0.94 -0.12 2.96 3.04 -1.52 -1.72 116.94 120.32 2x3x h PHE 234 Ca 0.18 -0.17 -0.01 0.00 3.98 0.00 0.00 57.97 61.95 2x3x h PHE 234 Cb 0.49 -0.24 -0.00 0.00 2.56 0.00 0.00 35.95 38.75 2x3x h PHE 234 CO -0.48 0.90 0.03 1.49 -2.02 0.00 0.00 178.31 178.23 2x3x h GLU 235 N 0.70 0.19 -0.22 1.11 4.57 -0.94 -2.90 114.58 117.09 2x3x h GLU 235 Ca 0.13 -0.04 0.05 0.00 -1.18 0.00 0.00 59.36 58.32 2x3x h GLU 235 Cb 0.55 -0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 29.06 2x3x h GLU 235 CO 0.03 0.35 -0.14 1.49 -1.18 0.00 0.00 179.01 179.56 2x3x h GLU 236 N -0.01 -0.13 -0.35 1.92 4.81 -0.53 -1.16 114.58 119.13 2x3x h GLU 236 Ca 0.04 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.38 2x3x h GLU 236 Cb 0.25 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 2x3x h GLU 236 CO 0.00 -0.09 0.35 -0.22 -0.73 0.00 0.00 179.01 178.33 2x3x h LYS 237 N -0.13 0.00 0.03 1.92 3.64 -1.24 0.43 116.57 121.22 2x3x h LYS 237 Ca 0.12 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2x3x h LYS 237 Cb 0.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2x3x h LYS 237 CO -0.30 0.00 -0.02 -0.09 -2.27 0.00 0.00 179.45 176.77 2x3x h ARG 238 N 0.00 -0.04 -1.00 1.90 2.43 -1.06 -3.13 114.38 113.48 2x3x h ARG 238 Ca 0.17 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.41 2x3x h ARG 238 Cb 0.87 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.36 2x3x h ARG 238 CO -0.00 0.56 0.64 -0.07 -1.51 0.00 0.00 179.97 179.59 2x3x h LEU 239 N -0.95 1.03 0.10 3.80 3.38 0.02 0.42 115.31 123.11 2x3x h LEU 239 Ca -0.00 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.00 2x3x h LEU 239 Cb 0.63 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 2x3x h LEU 239 CO 0.01 0.66 -0.33 0.58 0.09 0.00 0.00 178.44 179.45 2x3x h VAL 240 N 1.17 0.30 -0.46 1.22 2.07 -0.36 0.80 116.25 120.99 2x3x h VAL 240 Ca 0.43 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.91 2x3x h VAL 240 Cb 0.17 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 2x3x h VAL 240 CO -0.17 0.00 0.12 0.15 0.02 0.00 0.00 177.57 177.68 2x3x h PHE 241 N -0.54 0.69 -0.09 1.57 3.04 -1.18 -2.89 116.94 117.54 2x3x h PHE 241 Ca 0.04 -0.05 -0.12 0.00 3.98 0.00 0.00 57.97 61.82 2x3x h PHE 241 Cb 0.58 -0.21 0.01 0.00 2.56 0.00 0.00 35.95 38.89 2x3x h PHE 241 CO -0.30 0.59 -0.41 1.25 -2.02 0.00 0.00 178.31 177.42 2x3x h LEU 242 N 0.66 0.52 -0.66 0.59 6.46 0.05 -2.17 115.31 120.76 2x3x h LEU 242 Ca 0.15 -0.64 0.14 0.00 -0.12 0.00 0.00 57.88 57.41 2x3x h LEU 242 Cb 0.24 -0.15 -0.10 0.00 -0.73 0.00 0.00 40.66 39.92 2x3x h LEU 242 CO -0.00 1.07 0.10 0.50 -0.62 0.00 0.00 178.44 179.48 2x3x h LYS 243 N -0.00 0.20 0.12 1.25 3.64 -0.76 -1.71 116.57 119.32 2x3x h LYS 243 Ca -0.03 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2x3x h LYS 243 Cb 1.05 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 2x3x h LYS 243 CO 0.09 0.13 -0.06 1.49 -2.27 0.00 0.00 179.45 178.83 2x3x h GLU 244 N 0.20 -0.16 -0.71 1.90 4.81 -1.41 -2.38 114.58 116.84 2x3x h GLU 244 Ca 0.36 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.53 2x3x h GLU 244 Cb 0.58 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.97 2x3x h GLU 244 CO -0.50 -0.03 0.18 0.28 -0.73 0.00 0.00 179.01 178.21 2x3x h VAL 245 N -0.25 1.26 -0.95 0.32 2.07 -1.04 0.84 116.25 118.50 2x3x h VAL 245 Ca -0.02 -0.96 0.06 0.00 0.82 0.00 0.00 66.70 66.60 2x3x h VAL 245 Cb 0.20 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 30.43 2x3x h VAL 245 CO 0.03 0.37 0.61 -0.07 0.02 0.00 0.00 177.57 178.53 2x3x h LEU 246 N 1.07 0.97 -0.55 2.57 4.07 -1.29 0.23 115.31 122.38 2x3x h LEU 246 Ca 0.22 0.01 -0.06 0.00 0.08 0.00 0.00 57.88 58.13 2x3x h LEU 246 Cb 0.36 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.88 2x3x h LEU 246 CO 0.00 0.62 0.09 0.25 -1.08 0.00 0.00 178.44 178.33 2x3x h LEU 247 N 1.11 0.87 -0.90 1.67 5.85 -0.75 -1.77 115.31 121.39 2x3x h LEU 247 Ca 0.41 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 2x3x h LEU 247 Cb 0.15 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 2x3x h LEU 247 CO -0.17 0.91 0.35 0.44 -0.34 0.00 0.00 178.44 179.63 2x3x h ASP 248 N 0.80 1.05 -0.13 1.25 3.45 -0.15 -2.41 116.42 120.28 2x3x h ASP 248 Ca 0.17 -0.14 -0.06 0.00 0.43 0.00 0.00 57.03 57.43 2x3x h ASP 248 Cb 0.40 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 38.89 2x3x h ASP 248 CO 0.01 0.90 -0.09 0.40 -1.57 0.00 0.00 179.24 178.89 2x3x h ILE 249 N 1.13 1.21 0.37 0.35 2.04 -0.27 -2.58 117.51 119.76 2x3x h ILE 249 Ca 0.27 -0.91 -0.02 0.00 1.00 0.00 0.00 64.86 65.20 2x3x h ILE 249 Cb 0.15 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 2x3x h ILE 249 CO -0.03 0.30 -0.18 0.50 0.00 0.00 0.00 178.15 178.74 2x3x h LYS 250 N 0.42 -0.48 -0.71 2.37 3.64 -0.87 0.11 116.57 121.06 2x3x h LYS 250 Ca 0.08 0.03 0.15 0.00 -1.27 0.00 0.00 60.65 59.64 2x3x h LYS 250 Cb 0.43 0.11 -0.13 0.00 -0.41 0.00 0.00 32.23 32.22 2x3x h LYS 250 CO 0.02 -0.21 -0.14 0.00 -2.27 0.00 0.00 179.45 176.86 2x3x h ARG 251 N -0.71 0.02 -0.44 1.90 3.08 -1.38 -0.99 114.38 115.85 2x3x h ARG 251 Ca -0.05 -0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.88 2x3x h ARG 251 Cb 0.50 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 2x3x h ARG 251 CO 0.08 0.01 -0.18 0.45 -1.07 0.00 0.00 179.97 179.27 2x3x h HIS 252 N 0.02 0.97 0.00 3.04 3.86 -1.25 -2.69 115.15 119.10 2x3x h HIS 252 Ca 0.35 -0.21 -0.05 0.00 -1.16 0.00 0.00 60.37 59.30 2x3x h HIS 252 Cb 0.56 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 2x3x h HIS 252 CO -0.53 0.97 -0.23 -0.07 0.86 0.00 0.00 177.93 178.92 2x3x h LEU 253 N 0.76 0.00 -8.89 2.43 3.38 0.26 -3.44 115.31 109.81 2x3x h LEU 253 Ca 0.11 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.50 2x3x h LEU 253 Cb 0.71 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.38 2x3x h LEU 253 CO 0.05 0.23 0.77 0.21 0.09 0.00 0.00 178.44 179.80 2x3x s ASN 254 N -6.50 6.82 0.00 -0.43 2.47 -0.48 -4.89 114.94 111.92 2x3x s ASN 254 Ca -0.02 0.84 0.26 0.00 0.42 0.00 0.00 52.86 54.36 2x3x s ASN 254 Cb 0.13 -2.52 0.78 0.00 -1.45 0.00 0.00 41.25 38.20 2x3x s ASN 254 CO 0.65 -0.90 1.60 0.18 -3.72 0.00 0.00 177.10 174.91 2x3x n LEU 255 N 6.92 0.44 0.01 3.21 4.77 -1.26 -3.47 117.00 127.62 2x3x n LEU 255 Ca 0.10 0.09 0.12 0.00 -0.03 0.00 0.00 56.01 56.29 2x3x n LEU 255 Cb 0.48 -0.29 0.52 0.00 -2.33 0.00 0.00 43.42 41.80 2x3x n LEU 255 CO 0.60 0.10 0.89 0.00 -1.33 0.00 0.00 177.39 177.65 2x3x n ALA 256 N -1.35 2.13 0.28 -1.18 0.00 -1.26 -4.03 120.51 115.10 2x3x n ALA 256 Ca 0.08 -0.08 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2x3x n ALA 256 Cb 0.33 -1.41 -0.06 0.00 0.00 0.00 0.00 19.45 18.31 2x3x n ALA 256 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2x3x h GLU 257 N 0.00 -0.73 -6.27 0.00 5.08 -1.90 -3.42 114.58 107.35 2x3x h GLU 257 Ca 0.00 0.05 -0.56 0.00 -1.00 0.00 0.00 59.36 57.85 2x3x h GLU 257 Cb 0.44 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 2x3x h GLU 257 CO 0.00 -0.45 0.67 0.54 -1.00 0.00 0.00 179.01 178.77 2x3x s ASN 258 N -4.69 7.13 0.54 1.42 4.22 -1.26 -4.91 114.94 117.39 2x3x s ASN 258 Ca -0.13 1.66 0.25 0.00 -2.14 0.00 0.00 52.86 52.51 2x3x s ASN 258 Cb 0.01 -2.55 1.42 0.00 1.28 0.00 0.00 41.25 41.41 2x3x s ASN 258 CO 0.40 -0.55 2.02 0.28 -2.04 0.00 0.00 177.10 177.21 2x3x h SER 259 N 7.36 0.00 -0.94 3.54 0.02 -1.86 -2.40 113.55 119.27 2x3x h SER 259 Ca -0.31 0.00 0.33 0.00 -0.84 0.00 0.00 61.79 60.97 2x3x h SER 259 Cb 1.14 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.59 2x3x h SER 259 CO 0.88 0.00 0.60 -0.24 -1.14 0.00 0.00 176.83 176.93 2x3x n SER 260 N -4.28 0.15 0.33 3.07 2.88 -1.26 0.15 113.62 114.66 2x3x n SER 260 Ca 0.07 0.97 -0.14 0.00 -1.33 0.00 0.00 58.87 58.44 2x3x n SER 260 Cb 0.53 -0.48 -0.07 0.00 -0.75 0.00 0.00 64.21 63.44 2x3x n SER 260 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 2x3x h TYR 261 N 0.00 -0.81 -0.39 0.66 5.03 -1.63 -3.08 116.97 116.75 2x3x h TYR 261 Ca 0.61 -0.02 0.08 0.00 2.58 0.00 0.00 58.73 61.98 2x3x h TYR 261 Cb 1.94 0.27 -0.02 0.00 1.55 0.00 0.00 36.73 40.47 2x3x h TYR 261 CO -0.00 -0.48 0.27 1.98 -1.32 0.00 0.00 178.16 178.61 2x3x h MET 262 N -1.18 0.16 -0.80 1.82 4.05 0.12 -1.32 114.93 117.78 2x3x h MET 262 Ca -0.09 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.31 2x3x h MET 262 Cb 0.69 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 31.42 2x3x h MET 262 CO 0.15 0.10 0.44 0.45 0.23 0.00 0.00 176.91 178.28 2x3x h HIS 263 N 0.16 1.09 -0.33 1.39 3.86 -0.20 -3.14 115.15 117.98 2x3x h HIS 263 Ca 0.18 -0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.40 2x3x h HIS 263 Cb 0.51 -0.35 -0.03 0.00 1.06 0.00 0.00 27.41 28.59 2x3x h HIS 263 CO -0.00 0.77 0.12 0.28 0.86 0.00 0.00 177.93 179.96 2x3x h VAL 264 N 1.11 0.92 0.00 2.45 2.07 -1.14 -1.68 116.25 119.98 2x3x h VAL 264 Ca 0.28 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.71 2x3x h VAL 264 Cb 0.03 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 2x3x h VAL 264 CO -0.04 0.05 0.00 -1.22 0.02 0.00 0.00 177.57 176.38 2x3x n TYR 265 N -5.01 0.00 0.04 1.57 4.01 -1.22 -1.78 117.16 114.77 2x3x n TYR 265 Ca 0.01 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.52 2x3x n TYR 265 Cb 0.11 -0.13 -0.14 0.00 -0.31 0.00 0.00 39.34 38.87 2x3x n TYR 265 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2x3x h ARG 266 N 0.00 0.32 -0.86 -0.72 3.08 -1.29 -3.29 114.38 111.62 2x3x h ARG 266 Ca 0.00 -0.54 -0.02 0.00 0.07 0.00 0.00 59.98 59.49 2x3x h ARG 266 Cb 0.13 0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.34 2x3x h ARG 266 CO 0.00 1.26 0.47 0.93 -1.07 0.00 0.00 179.97 181.56 2x3x h GLU 267 N -0.13 1.20 -0.29 0.04 5.08 -0.91 -0.33 114.58 119.24 2x3x h GLU 267 Ca -0.31 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 57.89 2x3x h GLU 267 Cb 1.90 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.90 2x3x h GLU 267 CO 0.12 0.87 0.11 1.25 -1.00 0.00 0.00 179.01 180.36 2x3x h LEU 268 N 1.20 0.41 -0.33 1.33 6.46 -1.51 0.25 115.31 123.12 2x3x h LEU 268 Ca 0.30 -0.18 -0.09 0.00 -0.12 0.00 0.00 57.88 57.80 2x3x h LEU 268 Cb 0.02 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 39.84 2x3x h LEU 268 CO -0.05 0.47 -0.14 -0.08 -0.62 0.00 0.00 178.44 178.02 2x3x h GLU 269 N 0.32 0.68 0.15 1.25 4.81 -1.60 0.90 114.58 121.08 2x3x h GLU 269 Ca 0.10 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 2x3x h GLU 269 Cb 0.20 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 2x3x h GLU 269 CO -0.01 0.88 -0.15 0.37 -0.73 0.00 0.00 179.01 179.38 2x3x h GLN 270 N 0.46 -0.31 -0.67 1.92 4.15 -0.92 0.93 115.11 120.66 2x3x h GLN 270 Ca 0.08 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.50 2x3x h GLN 270 Cb 0.67 0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.40 2x3x h GLN 270 CO 0.04 -0.21 0.36 0.00 -1.93 0.00 0.00 178.83 177.09 2x3x h ALA 271 N 0.49 0.86 0.00 3.38 0.00 -0.45 -1.90 119.26 121.64 2x3x h ALA 271 Ca 0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2x3x h ALA 271 Cb 0.31 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2x3x h ALA 271 CO -0.04 0.39 -0.13 0.82 0.00 0.00 0.00 179.25 180.30 2x3x h ILE 272 N 0.92 0.45 0.00 0.00 5.03 -0.58 -1.31 117.51 122.02 2x3x h ILE 272 Ca 0.23 -0.66 -0.08 0.00 -0.12 0.00 0.00 64.86 64.24 2x3x h ILE 272 Cb 0.06 1.46 -0.01 0.00 -3.03 0.00 0.00 36.82 35.30 2x3x h ILE 272 CO -0.04 0.12 -0.47 0.03 -0.68 0.00 0.00 178.15 177.12 2x3x h ARG 273 N 0.00 0.00 0.00 2.37 3.08 -0.39 -3.23 114.38 116.21 2x3x h ARG 273 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2x3x h ARG 273 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 2x3x h ARG 273 CO 0.02 0.33 0.14 0.78 -1.07 0.00 0.00 179.97 180.16 2x3x h GLY 274 N 3.67 0.00 -3.92 0.04 0.00 -0.44 -3.42 103.07 98.99 2x3x h GLY 274 Ca -0.02 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.73 2x3x h GLY 274 CO 0.04 0.00 0.11 0.00 0.00 0.00 0.00 176.54 176.69 2x3x n ALA 275 N -1.86 -0.04 -2.82 3.60 0.00 -1.22 -4.98 120.51 113.18 2x3x n ALA 275 Ca -0.02 0.26 -0.10 0.00 0.00 0.00 0.00 53.44 53.58 2x3x n ALA 275 Cb 0.18 -2.04 0.03 0.00 0.00 0.00 0.00 19.45 17.62 2x3x n ALA 275 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2x3x n ASP 276 N 0.73 -2.55 -0.26 0.00 4.64 -1.26 -5.04 116.55 112.81 2x3x n ASP 276 Ca 0.10 -3.16 0.25 0.00 -1.38 0.00 0.00 54.79 50.59 2x3x n ASP 276 Cb 0.38 1.47 0.46 0.00 -1.04 0.00 0.00 41.12 42.39 2x3x n ASP 276 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2x3x n ALA 277 N 1.81 0.81 -0.11 -1.67 0.00 -1.26 0.62 120.51 120.71 2x3x n ALA 277 Ca 0.12 0.82 -0.05 0.00 0.00 0.00 0.00 53.44 54.33 2x3x n ALA 277 Cb 0.61 -0.81 0.01 0.00 0.00 0.00 0.00 19.45 19.25 2x3x n ALA 277 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2x3x h GLN 278 N 0.00 -0.02 -0.77 0.00 1.08 -1.99 0.24 115.11 113.65 2x3x h GLN 278 Ca 0.68 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.87 2x3x h GLN 278 Cb 1.78 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 29.17 2x3x h GLN 278 CO -0.63 -0.01 0.45 0.93 -0.95 0.00 0.00 178.83 178.62 2x3x h GLU 279 N -0.02 1.05 -0.24 1.46 4.39 -0.25 0.07 114.58 121.04 2x3x h GLU 279 Ca 0.18 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 59.74 2x3x h GLU 279 Cb 0.29 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 2x3x h GLU 279 CO -0.39 0.75 -0.01 -0.44 -1.16 0.00 0.00 179.01 177.76 2x3x h ASP 280 N 1.07 0.41 0.03 1.42 3.32 -1.33 -0.07 116.42 121.27 2x3x h ASP 280 Ca 0.28 -0.31 0.01 0.00 0.02 0.00 0.00 57.03 57.02 2x3x h ASP 280 Cb -0.02 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 2x3x h ASP 280 CO -0.05 0.63 -0.09 -0.07 -1.72 0.00 0.00 179.24 177.94 2x3x h LEU 281 N 0.19 -0.25 -1.35 1.55 3.38 -0.67 -2.36 115.31 115.82 2x3x h LEU 281 Ca 0.07 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 2x3x h LEU 281 Cb 0.42 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 2x3x h LEU 281 CO 0.01 -0.13 0.08 0.03 0.09 0.00 0.00 178.44 178.52 2x3x h ARG 282 N -0.17 0.52 0.32 1.13 3.08 -0.87 -1.86 114.38 116.53 2x3x h ARG 282 Ca 0.02 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 2x3x h ARG 282 Cb 0.19 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.16 2x3x h ARG 282 CO -0.07 0.49 -0.15 2.35 -1.07 0.00 0.00 179.97 181.51 2x3x h TRP 283 N 0.51 -0.40 -0.42 3.04 7.01 -0.80 -1.92 115.95 122.97 2x3x h TRP 283 Ca 0.12 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.13 2x3x h TRP 283 Cb 0.21 0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 27.38 2x3x h TRP 283 CO 0.01 -0.16 0.28 0.35 -2.79 0.00 0.00 178.44 176.13 2x3x h PHE 284 N -0.56 0.49 0.63 2.65 3.04 -1.05 0.15 116.94 122.29 2x3x h PHE 284 Ca -0.04 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.89 2x3x h PHE 284 Cb 0.41 -0.17 0.01 0.00 2.56 0.00 0.00 35.95 38.76 2x3x h PHE 284 CO -0.02 0.30 -0.30 -0.09 -2.02 0.00 0.00 178.31 176.18 2x3x h ARG 285 N 0.53 -0.81 0.00 1.11 2.43 -1.27 -0.97 114.38 115.38 2x3x h ARG 285 Ca 0.16 0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.31 2x3x h ARG 285 Cb 0.01 0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 2x3x h ARG 285 CO -0.04 -0.53 -0.35 0.66 -1.51 0.00 0.00 179.97 178.20 2x3x h SER 286 N -0.88 0.00 0.14 -3.80 4.64 -0.40 0.12 113.55 113.36 2x3x h SER 286 Ca -0.09 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.90 2x3x h SER 286 Cb 0.66 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.69 2x3x h SER 286 CO 0.14 0.35 -2.18 0.35 -0.87 0.00 0.00 176.83 174.62 2x3x n THR 287 N -3.64 1.41 -0.71 2.95 -2.24 0.42 -3.87 114.28 108.60 2x3x n THR 287 Ca -0.01 -0.83 0.00 0.00 -2.27 0.00 0.00 64.05 60.94 2x3x n THR 287 Cb 0.46 -0.60 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 2x3x n THR 287 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2x3x n SER 288 N -2.82 0.50 0.00 3.42 2.88 -0.41 -4.92 113.62 112.28 2x3x n SER 288 Ca -0.28 -1.21 0.00 0.00 -1.33 0.00 0.00 58.87 56.05 2x3x n SER 288 Cb 1.11 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.57 2x3x n SER 288 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2x3x n GLY 289 N -0.11 5.31 0.37 0.46 0.00 0.39 -4.93 105.19 106.68 2x3x n GLY 289 Ca 0.00 -1.37 0.10 0.00 0.00 0.00 0.00 46.02 44.75 2x3x n GLY 289 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2x3x h PRO 290 N 0.00 0.00 0.00 1.61 0.11 -1.90 0.19 132.00 132.02 2x3x h PRO 290 Ca 0.00 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.01 2x3x h PRO 290 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 2x3x h PRO 290 CO 0.00 0.00 -0.45 0.78 -0.21 0.00 0.00 178.00 178.12 2x3x h GLY 291 N 0.00 0.00 -5.14 -0.55 0.00 -1.79 -3.46 103.07 92.13 2x3x h GLY 291 Ca 0.10 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.89 2x3x h GLY 291 CO -0.00 0.00 1.12 1.03 0.00 0.00 0.00 176.54 178.69 2x3x n MET 292 N -3.66 2.74 -0.61 4.80 2.81 0.67 -4.89 117.12 118.98 2x3x n MET 292 Ca -0.01 1.00 -0.31 0.00 -1.81 0.00 0.00 57.70 56.57 2x3x n MET 292 Cb 0.54 -2.90 0.20 0.00 -0.71 0.00 0.00 33.22 30.35 2x3x n MET 292 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 2x3x n PRO 293 N 6.00 -1.75 -3.64 0.03 -0.02 -1.26 -5.03 135.00 129.32 2x3x n PRO 293 Ca 0.19 -0.49 -0.06 0.00 -2.02 0.00 0.00 63.50 61.12 2x3x n PRO 293 Cb 0.37 -1.92 -0.07 0.00 -0.02 0.00 0.00 33.50 31.87 2x3x n PRO 293 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2x3x s MET 294 N -3.86 0.44 -0.74 -0.52 -2.45 -1.26 -5.11 119.30 105.79 2x3x s MET 294 Ca 0.61 0.62 -0.18 0.00 -1.25 0.00 0.00 55.69 55.49 2x3x s MET 294 Cb -0.18 0.17 0.13 0.00 1.25 0.00 0.00 34.83 36.20 2x3x s MET 294 CO 0.66 -0.07 0.86 -0.80 1.05 0.00 0.00 175.02 176.72 2x3x s ASN 295 N 0.68 6.43 0.15 1.11 -0.87 -1.26 -5.03 114.94 116.16 2x3x s ASN 295 Ca -0.02 -1.83 -0.31 0.00 -1.57 0.00 0.00 52.86 49.14 2x3x s ASN 295 Cb -0.04 -2.32 -0.08 0.00 -0.02 0.00 0.00 41.25 38.78 2x3x s ASN 295 CO -0.10 -1.02 1.33 0.26 -2.57 0.00 0.00 177.10 175.00 2x3x s TRP 296 N 2.30 3.27 0.41 2.20 0.52 -1.26 -4.92 118.94 121.45 2x3x s TRP 296 Ca 0.20 1.12 -0.24 0.00 0.02 0.00 0.00 56.10 57.20 2x3x s TRP 296 Cb -0.15 -3.62 -0.11 0.00 -1.15 0.00 0.00 33.47 28.43 2x3x s TRP 296 CO -0.01 -2.03 0.86 -2.30 0.02 0.00 0.00 176.95 173.49 2x3x n PRO 297 N 3.25 1.07 0.12 4.98 -0.02 -1.26 -4.90 135.00 138.24 2x3x n PRO 297 Ca 0.08 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 2x3x n PRO 297 Cb 0.43 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 2x3x n PRO 297 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2x3x n GLN 298 N 0.32 0.00 -3.62 -0.52 0.00 -1.26 -5.16 117.38 107.14 2x3x n GLN 298 Ca 0.10 0.00 -0.13 0.00 0.00 0.00 0.00 57.00 56.98 2x3x n GLN 298 Cb 0.38 0.00 -0.07 0.00 0.00 0.00 0.00 30.24 30.56 2x3x n GLN 298 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.06 177.18 2x3x s PHE 299 N -1.63 -0.63 0.01 2.61 2.19 -1.26 -5.16 117.98 114.11 2x3x s PHE 299 Ca 0.00 1.47 0.03 0.00 0.33 0.00 0.00 56.93 58.76 2x3x s PHE 299 Cb 0.00 0.33 -0.01 0.00 -1.31 0.00 0.00 43.02 42.03 2x3x s PHE 299 CO 0.00 -0.35 -0.09 -2.00 1.83 0.00 0.00 175.22 174.60 2x3x s GLU 300 N 0.03 0.70 0.45 10.12 2.56 -1.26 -5.16 118.70 126.13 2x3x s GLU 300 Ca -0.00 -0.50 0.07 0.00 0.00 0.00 0.00 54.97 54.54 2x3x s GLU 300 Cb -0.04 -0.64 -0.01 0.00 2.00 0.00 0.00 34.13 35.44 2x3x s GLU 300 CO -0.00 0.16 0.38 -1.21 -0.56 0.00 0.00 175.26 174.03 2x3x s GLU 301 N -0.69 2.43 -0.58 4.30 2.02 -1.26 -5.07 118.70 119.84 2x3x s GLU 301 Ca 0.00 -1.68 -0.26 0.00 0.02 0.00 0.00 54.97 53.05 2x3x s GLU 301 Cb -0.06 -2.29 0.04 0.00 0.10 0.00 0.00 34.13 31.92 2x3x s GLU 301 CO 0.00 -0.31 1.07 -0.46 0.02 0.00 0.00 175.26 175.58 2x3x s TRP 302 N -2.56 2.68 -0.30 1.61 -0.00 -1.26 -4.96 118.94 114.14 2x3x s TRP 302 Ca 0.45 0.15 -0.10 0.00 -0.00 0.00 0.00 56.10 56.60 2x3x s TRP 302 Cb -0.02 -4.31 0.13 0.00 -0.00 0.00 0.00 33.47 29.27 2x3x s TRP 302 CO 0.26 -1.51 0.67 1.21 -0.00 0.00 0.00 176.95 177.58 2x3x s ASN 303 N 2.98 -1.12 0.00 5.86 2.47 -1.26 -5.39 114.94 118.48 2x3x s ASN 303 Ca 0.36 1.51 0.09 0.00 0.42 0.00 0.00 52.86 55.24 2x3x s ASN 303 Cb -0.10 2.27 0.55 0.00 -1.45 0.00 0.00 41.25 42.52 2x3x s ASN 303 CO 0.21 -0.21 1.00 -0.81 -3.72 0.00 0.00 177.10 173.57