#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 6.99 0.31 -1.12 0.15 -1.26 -4.94 113.70 113.83 2x3x s SER 15 Ca 0.00 1.67 0.07 0.00 0.70 0.00 0.00 55.95 58.39 2x3x s SER 15 Cb 0.00 -2.53 0.86 0.00 -1.71 0.00 0.00 66.02 62.64 2x3x s SER 15 CO 0.00 -0.30 1.66 0.15 1.20 0.00 0.00 173.24 175.96 2x3x h PHE 16 N 2.15 0.63 0.00 3.44 3.57 -2.01 0.39 116.94 125.12 2x3x h PHE 16 Ca -0.49 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.06 2x3x h PHE 16 Cb 1.18 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.79 2x3x h PHE 16 CO 0.62 -0.16 0.00 -1.49 -2.23 0.00 0.00 178.31 175.05 2x3x h TRP 17 N 0.29 0.00 -4.06 0.41 4.06 -1.92 -3.35 115.95 111.39 2x3x h TRP 17 Ca 0.62 0.00 -0.50 0.00 2.06 0.00 0.00 58.89 61.07 2x3x h TRP 17 Cb 1.31 0.00 0.07 0.00 -1.00 0.00 0.00 29.16 29.54 2x3x h TRP 17 CO -0.14 0.00 0.45 -1.21 -3.56 0.00 0.00 178.44 173.97 2x3x s GLU 18 N -3.46 3.51 0.23 0.49 0.41 0.13 -4.94 118.70 115.07 2x3x s GLU 18 Ca 0.02 1.66 -0.32 0.00 -0.41 0.00 0.00 54.97 55.92 2x3x s GLU 18 Cb 0.09 -2.15 -0.13 0.00 -1.78 0.00 0.00 34.13 30.16 2x3x s GLU 18 CO 0.38 -0.73 1.53 0.28 -0.49 0.00 0.00 175.26 176.23 2x3x n VAL 19 N -1.00 0.64 0.00 2.63 0.31 -1.26 -2.57 118.33 117.08 2x3x n VAL 19 Ca 0.10 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 2x3x n VAL 19 Cb 0.50 -1.67 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 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 2.65 2.79 0.00 2.92 0.00 -1.26 -4.88 105.19 107.41 2x3x n GLY 20 Ca 0.13 -0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.16 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 0.44 0.00 0.31 1.61 4.13 -1.06 -2.12 115.26 118.56 2x3x n ASN 21 Ca 0.00 -0.07 0.19 0.00 1.68 0.00 0.00 54.58 56.38 2x3x n ASN 21 Cb 0.00 -0.21 1.04 0.00 -1.54 0.00 0.00 39.78 39.07 2x3x n ASN 21 CO 0.00 0.00 0.00 0.10 0.28 0.00 0.00 177.26 177.64 2x3x h TYR 22 N 0.00 0.00 -0.89 3.10 -0.00 -1.79 -3.27 116.97 114.12 2x3x h TYR 22 Ca 0.00 0.00 0.24 0.00 0.00 0.00 0.00 58.73 58.97 2x3x h TYR 22 Cb 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 36.73 36.68 2x3x h TYR 22 CO 0.00 0.00 0.25 1.57 -0.00 0.00 0.00 178.16 179.98 2x3x h LYS 23 N 0.00 0.20 -0.79 0.10 2.10 -1.82 -1.74 116.57 114.62 2x3x h LYS 23 Ca 0.01 -0.01 0.04 0.00 -2.00 0.00 0.00 60.65 58.70 2x3x h LYS 23 Cb 0.19 -0.04 -0.05 0.00 -0.90 0.00 0.00 32.23 31.43 2x3x h LYS 23 CO -0.00 0.13 0.52 0.07 -2.00 0.00 0.00 179.45 178.17 2x3x h ARG 24 N 0.20 0.91 0.00 0.07 0.11 -1.86 0.33 114.38 114.15 2x3x h ARG 24 Ca 0.56 -0.05 -0.04 0.00 0.10 0.00 0.00 59.98 60.55 2x3x h ARG 24 Cb 1.15 -0.21 -0.01 0.00 1.11 0.00 0.00 29.97 32.02 2x3x h ARG 24 CO -0.66 0.60 -0.18 1.15 0.10 0.00 0.00 179.97 180.98 2x3x h THR 25 N 0.94 0.84 -0.04 0.08 2.02 -1.58 -2.79 112.91 112.38 2x3x h THR 25 Ca 0.32 -0.70 -0.18 0.00 0.77 0.00 0.00 66.41 66.63 2x3x h THR 25 Cb 0.10 1.41 0.01 0.00 -1.74 0.00 0.00 68.15 67.94 2x3x h THR 25 CO -0.10 0.18 -0.66 0.58 0.37 0.00 0.00 175.52 175.89 2x3x h VAL 26 N 0.00 1.37 -0.39 3.16 2.07 -0.37 -3.31 116.25 118.78 2x3x h VAL 26 Ca -0.00 -2.02 0.08 0.00 0.82 0.00 0.00 66.70 65.58 2x3x h VAL 26 Cb 0.40 2.40 -0.09 0.00 -1.52 0.00 0.00 31.29 32.48 2x3x h VAL 26 CO 0.02 0.60 -0.21 0.11 0.02 0.00 0.00 177.57 178.12 2x3x h LYS 27 N 0.09 -0.14 -0.91 1.57 1.79 -0.71 -1.82 116.57 116.45 2x3x h LYS 27 Ca -0.07 0.01 0.29 0.00 -2.18 0.00 0.00 60.65 58.70 2x3x h LYS 27 Cb 1.34 0.03 -0.17 0.00 -1.58 0.00 0.00 32.23 31.85 2x3x h LYS 27 CO 0.13 -0.09 0.15 0.54 -1.08 0.00 0.00 179.45 179.10 2x3x n ARG 28 N -5.38 -0.07 -0.07 3.15 1.74 -1.08 -0.37 116.66 114.59 2x3x n ARG 28 Ca 0.02 1.33 -0.10 0.00 -0.77 0.00 0.00 57.85 58.33 2x3x n ARG 28 Cb 0.29 -2.18 -0.03 0.00 -1.02 0.00 0.00 32.46 29.52 2x3x n ARG 28 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 2x3x h ILE 29 N 0.00 1.12 -0.04 0.55 2.04 -1.46 0.93 117.51 120.64 2x3x h ILE 29 Ca 0.61 -0.32 -0.11 0.00 1.00 0.00 0.00 64.86 66.05 2x3x h ILE 29 Cb 1.39 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 2x3x h ILE 29 CO -0.81 0.12 -0.46 0.44 0.00 0.00 0.00 178.15 177.44 2x3x h ASP 30 N 0.27 0.10 0.88 1.72 3.32 -0.75 -2.77 116.42 119.20 2x3x h ASP 30 Ca 0.08 -0.05 -0.15 0.00 0.02 0.00 0.00 57.03 56.94 2x3x h ASP 30 Cb 0.07 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 2x3x h ASP 30 CO -0.01 0.55 -0.71 0.44 -1.72 0.00 0.00 179.24 177.79 2x3x h ASP 31 N 0.08 0.00 -0.00 6.45 3.45 -0.24 -2.69 116.42 123.47 2x3x h ASP 31 Ca 0.00 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.46 2x3x h ASP 31 Cb 0.85 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.62 2x3x h ASP 31 CO 0.06 0.71 0.00 1.23 -1.57 0.00 0.00 179.24 179.68 2x3x h GLY 32 N 2.47 0.00 1.77 2.75 0.00 0.12 -0.35 103.07 109.82 2x3x h GLY 32 Ca -0.01 -0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.24 2x3x h GLY 32 CO 0.09 0.00 -0.27 0.84 0.00 0.00 0.00 176.54 177.21 2x3x h HIS 33 N -0.03 0.30 0.16 5.60 -0.00 -1.61 -2.97 115.15 116.59 2x3x h HIS 33 Ca 0.00 -0.06 -0.00 0.00 -0.00 0.00 0.00 60.37 60.31 2x3x h HIS 33 Cb 0.03 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.36 2x3x h HIS 33 CO -0.07 0.52 -0.12 -0.09 -0.00 0.00 0.00 177.93 178.17 2x3x h ARG 34 N 0.24 -0.28 -0.93 5.26 1.12 -1.08 -3.00 114.38 115.70 2x3x h ARG 34 Ca 0.04 0.02 0.12 0.00 -1.11 0.00 0.00 59.98 59.04 2x3x h ARG 34 Cb 0.60 0.06 -0.08 0.00 -0.01 0.00 0.00 29.97 30.54 2x3x h ARG 34 CO 0.04 -0.19 0.56 -0.07 -3.11 0.00 0.00 179.97 177.21 2x3x h LEU 35 N -0.29 0.81 -0.54 3.80 4.07 -0.96 -0.32 115.31 121.89 2x3x h LEU 35 Ca -0.01 0.05 0.11 0.00 0.08 0.00 0.00 57.88 58.12 2x3x h LEU 35 Cb 0.26 -0.11 -0.09 0.00 1.08 0.00 0.00 40.66 41.80 2x3x h LEU 35 CO -0.01 0.43 -0.05 0.00 -1.08 0.00 0.00 178.44 177.73 2x3x h ASN 37 N 0.07 -0.73 -0.96 0.00 -0.26 -0.98 -1.39 115.58 111.32 2x3x h ASN 37 Ca 0.27 0.02 0.25 0.00 -0.56 0.00 0.00 56.30 56.28 2x3x h ASN 37 Cb 0.42 0.19 -0.13 0.00 -1.06 0.00 0.00 38.32 37.74 2x3x h ASN 37 CO -0.49 -0.51 0.50 0.44 -1.06 0.00 0.00 177.43 176.30 2x3x h ASP 38 N -0.88 0.49 -0.13 5.81 5.19 -0.88 0.11 116.42 126.13 2x3x h ASP 38 Ca -0.09 0.16 -0.14 0.00 -0.62 0.00 0.00 57.03 56.34 2x3x h ASP 38 Cb 0.67 0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.27 2x3x h ASP 38 CO 0.14 -0.00 -0.39 0.25 -3.12 0.00 0.00 179.24 176.12 2x3x h LEU 39 N 0.44 0.70 -0.02 1.55 6.46 -0.49 -0.83 115.31 123.13 2x3x h LEU 39 Ca 0.63 -0.31 -0.01 0.00 -0.12 0.00 0.00 57.88 58.07 2x3x h LEU 39 Cb 1.27 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 41.00 2x3x h LEU 39 CO -0.53 1.02 -0.03 0.24 -0.62 0.00 0.00 178.44 178.51 2x3x h MET 40 N 0.54 0.06 -0.84 1.25 2.86 0.13 0.26 114.93 119.19 2x3x h MET 40 Ca 0.05 -0.04 0.18 0.00 -2.06 0.00 0.00 59.70 57.83 2x3x h MET 40 Cb 0.92 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 32.47 2x3x h MET 40 CO 0.08 0.57 0.35 1.03 1.06 0.00 0.00 176.91 180.01 2x3x h SER 41 N -0.44 0.32 -0.36 1.22 0.87 -0.90 0.18 113.55 114.44 2x3x h SER 41 Ca 0.00 0.13 -0.16 0.00 -1.23 0.00 0.00 61.79 60.53 2x3x h SER 41 Cb 0.57 0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.63 2x3x h SER 41 CO 0.01 0.06 -0.40 0.00 -0.53 0.00 0.00 176.83 175.97 2x3x h VAL 43 N 0.72 1.28 0.00 0.00 3.04 0.34 -2.90 116.25 118.72 2x3x h VAL 43 Ca 0.05 -1.43 -0.19 0.00 -1.01 0.00 0.00 66.70 64.12 2x3x h VAL 43 Cb 1.00 1.28 -0.03 0.00 -2.01 0.00 0.00 31.29 31.53 2x3x h VAL 43 CO 0.10 0.48 -0.89 0.06 -1.01 0.00 0.00 177.57 176.30 2x3x h GLN 44 N 0.71 0.00 -0.54 4.17 3.07 -0.62 -1.93 115.11 119.98 2x3x h GLN 44 Ca 0.08 0.00 0.01 0.00 0.09 0.00 0.00 58.65 58.83 2x3x h GLN 44 Cb 0.83 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.36 2x3x h GLN 44 CO 0.07 0.89 0.36 0.93 0.09 0.00 0.00 178.83 181.17 2x3x h GLU 45 N 0.00 0.70 0.08 0.06 5.08 -0.90 -2.22 114.58 117.38 2x3x h GLU 45 Ca -0.01 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2x3x h GLU 45 Cb 1.59 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.69 2x3x h GLU 45 CO 0.12 0.47 -0.04 -0.09 -1.00 0.00 0.00 179.01 178.46 2x3x h ARG 46 N 0.72 -0.10 -0.99 2.33 9.65 -1.36 -3.16 114.38 121.47 2x3x h ARG 46 Ca 0.20 0.01 0.23 0.00 -1.10 0.00 0.00 59.98 59.32 2x3x h ARG 46 Cb -0.08 0.02 -0.09 0.00 -1.39 0.00 0.00 29.97 28.44 2x3x h ARG 46 CO -0.04 0.41 0.64 0.00 2.80 0.00 0.00 179.97 183.77 2x3x h ALA 47 N 0.13 2.16 -0.76 2.80 0.00 -1.13 0.85 119.26 123.31 2x3x h ALA 47 Ca -0.01 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2x3x h ALA 47 Cb 0.55 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 2x3x h ALA 47 CO 0.02 -0.51 0.31 -0.22 0.00 0.00 0.00 179.25 178.85 2x3x h LYS 48 N 0.45 1.12 -0.37 0.00 3.64 -1.45 -2.47 116.57 117.48 2x3x h LYS 48 Ca 0.55 -0.19 -0.13 0.00 -1.27 0.00 0.00 60.65 59.61 2x3x h LYS 48 Cb 1.31 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 2x3x h LYS 48 CO -0.26 0.90 -0.27 0.82 -2.27 0.00 0.00 179.45 178.37 2x3x h ILE 49 N 1.10 1.28 -0.68 2.00 2.04 0.72 -2.18 117.51 121.79 2x3x h ILE 49 Ca 0.25 -1.42 -0.02 0.00 1.00 0.00 0.00 64.86 64.67 2x3x h ILE 49 Cb 0.19 1.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 2x3x h ILE 49 CO -0.02 0.47 0.34 -0.33 0.00 0.00 0.00 178.15 178.61 2x3x h GLU 50 N 0.64 0.97 -0.96 2.37 4.39 -1.32 -2.50 114.58 118.17 2x3x h GLU 50 Ca 0.07 -0.13 0.11 0.00 0.34 0.00 0.00 59.36 59.75 2x3x h GLU 50 Cb 0.84 -0.18 -0.08 0.00 -0.10 0.00 0.00 28.75 29.23 2x3x h GLU 50 CO 0.07 0.75 0.60 -0.22 -1.16 0.00 0.00 179.01 179.05 2x3x h LYS 51 N 0.94 0.93 0.00 2.33 3.64 -1.19 -1.26 116.57 121.95 2x3x h LYS 51 Ca 0.23 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2x3x h LYS 51 Cb 0.09 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 2x3x h LYS 51 CO -0.03 0.61 0.00 0.00 -2.27 0.00 0.00 179.45 177.76 2x3x n ALA 52 N -2.36 -0.24 -0.34 5.00 0.00 -0.84 -0.31 120.51 121.42 2x3x n ALA 52 Ca 0.18 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.53 2x3x n ALA 52 Cb 0.33 0.02 -0.08 0.00 0.00 0.00 0.00 19.45 19.72 2x3x n ALA 52 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2x3x n TYR 53 N -1.30 -0.35 -0.31 0.00 -0.00 -1.12 0.11 117.16 114.19 2x3x n TYR 53 Ca 0.00 1.00 0.16 0.00 -0.00 0.00 0.00 57.90 59.06 2x3x n TYR 53 Cb 0.00 -0.56 0.33 0.00 -0.00 0.00 0.00 39.34 39.11 2x3x n TYR 53 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2x3x h ALA 54 N 0.39 1.40 0.54 2.98 0.00 -1.20 -1.17 119.26 122.19 2x3x h ALA 54 Ca 0.13 0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 2x3x h ALA 54 Cb 0.33 0.35 0.01 0.00 0.00 0.00 0.00 17.79 18.47 2x3x h ALA 54 CO -0.75 -0.53 -0.26 0.37 0.00 0.00 0.00 179.25 178.07 2x3x h GLN 55 N 0.17 -0.70 -0.83 0.00 5.75 0.38 -3.07 115.11 116.82 2x3x h GLN 55 Ca 0.60 0.05 0.13 0.00 -0.15 0.00 0.00 58.65 59.28 2x3x h GLN 55 Cb 1.27 0.16 -0.06 0.00 1.07 0.00 0.00 27.48 29.92 2x3x h GLN 55 CO -0.70 -0.39 0.54 1.96 -2.65 0.00 0.00 178.83 177.59 2x3x h GLN 56 N -0.97 0.60 -0.54 1.69 4.20 -0.02 0.36 115.11 120.44 2x3x h GLN 56 Ca -0.07 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.56 2x3x h GLN 56 Cb 0.63 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 2x3x h GLN 56 CO 0.12 0.40 0.16 -0.07 -0.67 0.00 0.00 178.83 178.77 2x3x h LEU 57 N 0.62 0.79 -0.82 1.46 3.38 -1.31 -1.14 115.31 118.30 2x3x h LEU 57 Ca 0.40 -0.21 -0.12 0.00 0.09 0.00 0.00 57.88 58.04 2x3x h LEU 57 Cb 0.69 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2x3x h LEU 57 CO -0.16 0.79 -0.45 0.74 0.09 0.00 0.00 178.44 179.45 2x3x h THR 58 N 0.75 1.32 0.52 0.22 2.02 -0.85 0.43 112.91 117.33 2x3x h THR 58 Ca 0.17 -1.63 -0.03 0.00 0.77 0.00 0.00 66.41 65.70 2x3x h THR 58 Cb 0.29 1.72 0.01 0.00 -1.74 0.00 0.00 68.15 68.43 2x3x h THR 58 CO -0.00 0.49 -0.25 0.44 0.37 0.00 0.00 175.52 176.57 2x3x h ASP 59 N 0.26 -0.59 -1.01 4.18 3.32 -1.34 -1.76 116.42 119.47 2x3x h ASP 59 Ca 0.02 -0.06 0.23 0.00 0.02 0.00 0.00 57.03 57.24 2x3x h ASP 59 Cb 0.90 0.15 -0.11 0.00 0.22 0.00 0.00 39.33 40.50 2x3x h ASP 59 CO 0.07 -0.25 0.62 -0.25 -1.72 0.00 0.00 179.24 177.72 2x3x h TRP 60 N -0.97 0.90 0.22 4.55 7.01 -0.88 0.81 115.95 127.58 2x3x h TRP 60 Ca -0.07 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.95 2x3x h TRP 60 Cb 0.62 -0.26 0.00 0.00 -2.10 0.00 0.00 29.16 27.42 2x3x h TRP 60 CO 0.01 0.12 -0.11 0.00 -2.79 0.00 0.00 178.44 175.66 2x3x h ALA 61 N 1.67 -0.30 -0.09 2.65 0.00 -0.10 -2.47 119.26 120.62 2x3x h ALA 61 Ca 0.60 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 55.24 2x3x h ALA 61 Cb 1.21 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 2x3x h ALA 61 CO -0.38 -0.59 -0.60 0.87 0.00 0.00 0.00 179.25 178.54 2x3x h LYS 62 N -0.45 0.30 0.71 0.00 1.79 -0.23 -0.66 116.57 118.04 2x3x h LYS 62 Ca -0.03 -0.21 -0.03 0.00 -2.18 0.00 0.00 60.65 58.20 2x3x h LYS 62 Cb 0.34 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.02 2x3x h LYS 62 CO 0.05 0.81 -0.42 -0.09 -1.08 0.00 0.00 179.45 178.72 2x3x h ARG 63 N 0.22 -1.02 0.00 3.15 2.43 0.53 -3.08 114.38 116.62 2x3x h ARG 63 Ca -0.01 0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.15 2x3x h ARG 63 Cb 1.12 0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.89 2x3x h ARG 63 CO 0.10 -0.68 -0.38 -1.49 -1.51 0.00 0.00 179.97 176.01 2x3x h TRP 64 N -1.06 0.00 -0.81 2.20 4.06 -1.46 -2.42 115.95 116.46 2x3x h TRP 64 Ca -0.10 0.00 0.09 0.00 2.06 0.00 0.00 58.89 60.94 2x3x h TRP 64 Cb 0.84 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 28.93 2x3x h TRP 64 CO -0.06 0.38 0.47 -0.09 -3.56 0.00 0.00 178.44 175.58 2x3x h ARG 65 N 0.00 0.77 0.03 0.49 2.43 -1.17 0.67 114.38 117.61 2x3x h ARG 65 Ca -0.00 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2x3x h ARG 65 Cb 1.10 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.48 2x3x h ARG 65 CO 0.05 0.51 -0.01 0.37 -1.51 0.00 0.00 179.97 179.38 2x3x h GLN 66 N 0.80 -0.04 -0.89 0.20 4.15 -1.40 -0.35 115.11 117.57 2x3x h GLN 66 Ca 0.39 0.00 0.11 0.00 0.77 0.00 0.00 58.65 59.92 2x3x h GLN 66 Cb 0.33 0.01 -0.08 0.00 0.21 0.00 0.00 27.48 27.95 2x3x h GLN 66 CO -0.23 0.61 0.53 -0.07 -1.93 0.00 0.00 178.83 177.73 2x3x h LEU 67 N -0.75 0.76 -0.01 -2.39 4.07 -1.33 0.37 115.31 116.03 2x3x h LEU 67 Ca -0.00 0.05 -0.00 0.00 0.08 0.00 0.00 57.88 58.00 2x3x h LEU 67 Cb 0.67 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 42.31 2x3x h LEU 67 CO 0.01 0.42 -0.00 0.40 -1.08 0.00 0.00 178.44 178.18 2x3x h ILE 68 N 0.86 1.26 0.06 1.22 2.04 -0.93 -2.56 117.51 119.46 2x3x h ILE 68 Ca 0.44 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.53 2x3x h ILE 68 Cb 0.43 1.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 2x3x h ILE 68 CO -0.26 0.20 -0.12 -0.08 0.00 0.00 0.00 178.15 177.89 2x3x h GLU 69 N -0.31 -0.19 -0.99 2.37 4.81 0.29 -1.88 114.58 118.69 2x3x h GLU 69 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2x3x h GLU 69 Cb 0.33 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.75 2x3x h GLU 69 CO 0.00 -0.13 0.00 0.36 -0.73 0.00 0.00 179.01 178.51 2x3x n LYS 70 N -3.10 0.95 -4.22 1.92 2.85 0.12 -4.78 118.16 111.90 2x3x n LYS 70 Ca -0.02 0.00 -0.23 0.00 -1.05 0.00 0.00 58.31 57.01 2x3x n LYS 70 Cb 0.10 -1.31 -0.07 0.00 -0.65 0.00 0.00 35.03 33.10 2x3x n LYS 70 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2x3x s GLY 71 N 0.33 1.79 0.59 2.58 0.00 -0.71 -5.00 107.32 106.91 2x3x s GLY 71 Ca 0.00 -1.74 0.39 0.00 0.00 0.00 0.00 44.72 43.37 2x3x s GLY 71 CO 0.00 -1.74 2.20 -0.56 0.00 0.00 0.00 173.10 173.00 2x3x h PRO 72 N 1.73 0.00 -6.93 2.90 0.13 -1.86 -3.43 132.00 124.54 2x3x h PRO 72 Ca -0.44 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.16 2x3x h PRO 72 Cb 1.25 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.47 2x3x h PRO 72 CO 0.62 0.00 0.72 -1.14 -0.23 0.00 0.00 178.00 177.97 2x3x s GLN 73 N -3.99 4.14 0.13 0.86 2.00 -1.26 -5.01 119.66 116.53 2x3x s GLN 73 Ca -0.04 2.42 -0.00 0.00 -2.00 0.00 0.00 55.36 55.74 2x3x s GLN 73 Cb 0.11 -2.96 -0.04 0.00 0.80 0.00 0.00 33.01 30.92 2x3x s GLN 73 CO 0.38 -0.45 0.04 1.52 -0.50 0.00 0.00 175.29 176.28 2x3x s TYR 74 N -1.14 0.90 0.00 1.67 -0.85 -1.26 -4.84 117.35 111.83 2x3x s TYR 74 Ca 0.52 -1.18 0.00 0.00 -0.52 0.00 0.00 57.07 55.89 2x3x s TYR 74 Cb -0.44 -0.52 0.00 0.00 0.38 0.00 0.00 41.96 41.39 2x3x s TYR 74 CO 0.59 -0.45 0.00 0.41 -1.52 0.00 0.00 175.55 174.58 2x3x n GLY 75 N -0.11 0.43 0.06 5.49 0.00 -1.26 -3.04 105.19 106.77 2x3x n GLY 75 Ca -0.06 -0.88 -0.12 0.00 0.00 0.00 0.00 46.02 44.96 2x3x n GLY 75 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2x3x h SER 76 N 8.63 0.08 -0.64 1.61 4.64 -1.95 -2.72 113.55 123.18 2x3x h SER 76 Ca 0.00 -0.11 0.10 0.00 -0.47 0.00 0.00 61.79 61.31 2x3x h SER 76 Cb 0.00 -0.02 -0.04 0.00 -0.31 0.00 0.00 62.40 62.03 2x3x h SER 76 CO 0.00 0.16 0.43 -0.07 -0.87 0.00 0.00 176.83 176.48 2x3x h LEU 77 N -0.02 0.41 -0.51 5.97 -0.00 -1.87 0.96 115.31 120.26 2x3x h LEU 77 Ca 0.02 0.01 -0.08 0.00 -0.00 0.00 0.00 57.88 57.83 2x3x h LEU 77 Cb 0.11 -0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 40.67 2x3x h LEU 77 CO -0.00 0.24 0.00 -0.08 -0.00 0.00 0.00 178.44 178.60 2x3x h GLU 78 N 0.46 0.90 -0.62 1.13 4.81 -1.42 -1.51 114.58 118.31 2x3x h GLU 78 Ca 0.30 -0.28 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 2x3x h GLU 78 Cb 0.56 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 2x3x h GLU 78 CO -0.09 0.92 0.27 0.00 -0.73 0.00 0.00 179.01 179.38 2x3x h ARG 79 N 0.76 0.92 -0.08 1.92 3.08 -0.62 0.17 114.38 120.53 2x3x h ARG 79 Ca 0.14 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 2x3x h ARG 79 Cb 0.52 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 2x3x h ARG 79 CO 0.03 0.77 0.04 0.00 -1.07 0.00 0.00 179.97 179.73 2x3x h ALA 80 N 1.11 0.10 -0.19 0.04 0.00 -0.78 0.37 119.26 119.91 2x3x h ALA 80 Ca 0.21 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.07 2x3x h ALA 80 Cb 0.18 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2x3x h ALA 80 CO -0.02 -0.33 0.06 2.35 0.00 0.00 0.00 179.25 181.31 2x3x h TRP 81 N 0.00 0.12 -0.80 0.00 2.91 -1.26 -2.79 115.95 114.12 2x3x h TRP 81 Ca 0.03 0.01 0.18 0.00 1.13 0.00 0.00 58.89 60.24 2x3x h TRP 81 Cb 0.12 -0.02 -0.12 0.00 -0.51 0.00 0.00 29.16 28.63 2x3x h TRP 81 CO -0.03 0.06 0.25 0.78 -1.03 0.00 0.00 178.44 178.47 2x3x h GLY 82 N 0.16 1.20 1.51 2.65 0.00 -0.06 -0.66 103.07 107.87 2x3x h GLY 82 Ca 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2x3x h GLY 82 CO -0.08 -0.23 0.00 0.00 0.00 0.00 0.00 176.54 176.23 2x3x n ALA 83 N -2.62 1.48 0.11 3.60 0.00 0.13 -1.15 120.51 122.05 2x3x n ALA 83 Ca 0.17 -0.03 -0.23 0.00 0.00 0.00 0.00 53.44 53.35 2x3x n ALA 83 Cb 0.53 -1.09 -0.15 0.00 0.00 0.00 0.00 19.45 18.74 2x3x n ALA 83 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 2x3x h MET 84 N 0.00 0.48 0.00 0.00 -1.53 -1.17 -3.17 114.93 109.53 2x3x h MET 84 Ca 0.00 -0.78 -0.01 0.00 -3.44 0.00 0.00 59.70 55.47 2x3x h MET 84 Cb 0.05 0.28 -0.00 0.00 -0.55 0.00 0.00 31.60 31.38 2x3x h MET 84 CO 0.00 1.37 -0.05 0.52 0.14 0.00 0.00 176.91 178.88 2x3x h MET 85 N -0.00 0.00 -0.29 0.39 2.86 -1.26 -2.00 114.93 114.63 2x3x h MET 85 Ca -0.21 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.36 2x3x h MET 85 Cb 1.95 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.60 2x3x h MET 85 CO 0.23 0.05 -0.09 1.15 1.06 0.00 0.00 176.91 179.31 2x3x h THR 86 N 0.00 1.29 -0.44 2.22 2.02 -1.58 -2.30 112.91 114.13 2x3x h THR 86 Ca -0.00 -1.15 -0.01 0.00 0.77 0.00 0.00 66.41 66.02 2x3x h THR 86 Cb 0.25 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 2x3x h THR 86 CO 0.01 0.36 0.23 1.05 0.37 0.00 0.00 175.52 177.54 2x3x h GLU 87 N 0.33 0.62 -0.78 6.66 -0.00 -1.35 0.13 114.58 120.18 2x3x h GLU 87 Ca 0.07 -0.08 0.06 0.00 -0.00 0.00 0.00 59.36 59.41 2x3x h GLU 87 Cb 0.59 -0.12 -0.05 0.00 -0.00 0.00 0.00 28.75 29.17 2x3x h GLU 87 CO 0.03 0.51 0.51 0.00 -0.00 0.00 0.00 179.01 180.07 2x3x h ALA 88 N 1.08 1.64 -0.12 1.06 0.00 -1.42 0.41 119.26 121.91 2x3x h ALA 88 Ca 0.15 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 2x3x h ALA 88 Cb 0.08 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2x3x h ALA 88 CO -0.02 0.24 -0.20 -0.44 0.00 0.00 0.00 179.25 178.82 2x3x h ASP 89 N 0.85 0.39 -0.31 0.00 3.45 -0.94 -2.38 116.42 117.47 2x3x h ASP 89 Ca 0.34 -0.54 -0.07 0.00 0.43 0.00 0.00 57.03 57.20 2x3x h ASP 89 Cb 0.24 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 38.89 2x3x h ASP 89 CO -0.12 0.85 -0.06 0.11 -1.57 0.00 0.00 179.24 178.45 2x3x h LYS 90 N -0.06 0.59 0.33 3.56 1.57 0.38 -1.14 116.57 121.80 2x3x h LYS 90 Ca 0.01 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.56 2x3x h LYS 90 Cb 0.77 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 2x3x h LYS 90 CO 0.05 0.77 -0.32 0.28 -0.57 0.00 0.00 179.45 179.65 2x3x h VAL 91 N 0.37 0.00 -0.96 0.50 2.07 -0.37 -2.80 116.25 115.06 2x3x h VAL 91 Ca 0.08 0.00 0.32 0.00 0.82 0.00 0.00 66.70 67.92 2x3x h VAL 91 Cb 0.54 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.13 2x3x h VAL 91 CO 0.03 0.00 0.21 -0.24 0.02 0.00 0.00 177.57 177.59 2x3x n SER 92 N -4.34 0.06 -0.17 0.57 2.88 -0.89 0.17 113.62 111.89 2x3x n SER 92 Ca -0.08 1.62 -0.00 0.00 -1.33 0.00 0.00 58.87 59.08 2x3x n SER 92 Cb 0.30 -0.67 0.24 0.00 -0.75 0.00 0.00 64.21 63.33 2x3x n SER 92 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2x3x h GLU 93 N 0.00 0.91 -0.00 -1.46 4.81 -1.08 -1.95 114.58 115.81 2x3x h GLU 93 Ca 0.67 -0.09 -0.12 0.00 -0.13 0.00 0.00 59.36 59.69 2x3x h GLU 93 Cb 1.57 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.75 2x3x h GLU 93 CO -0.84 0.66 -0.58 -0.07 -0.73 0.00 0.00 179.01 177.45 2x3x h LEU 94 N 0.92 0.01 -0.31 1.64 3.38 0.20 -2.42 115.31 118.73 2x3x h LEU 94 Ca 0.24 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2x3x h LEU 94 Cb 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2x3x h LEU 94 CO -0.04 0.59 0.00 0.45 0.09 0.00 0.00 178.44 179.53 2x3x h HIS 95 N 0.01 0.00 -0.08 1.13 3.86 -0.94 -2.23 115.15 116.89 2x3x h HIS 95 Ca -0.01 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 58.99 2x3x h HIS 95 Cb 1.03 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.50 2x3x h HIS 95 CO 0.00 0.00 -0.82 1.96 0.86 0.00 0.00 177.93 179.93 2x3x h GLN 96 N 0.00 0.59 -0.65 2.45 1.08 -1.12 -2.71 115.11 114.75 2x3x h GLN 96 Ca 0.00 -0.52 -0.04 0.00 -1.45 0.00 0.00 58.65 56.64 2x3x h GLN 96 Cb 0.89 0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 28.41 2x3x h GLN 96 CO 0.00 1.14 0.23 0.93 -0.95 0.00 0.00 178.83 180.18 2x3x h GLU 97 N 0.38 0.96 0.62 1.46 5.08 -1.22 0.78 114.58 122.65 2x3x h GLU 97 Ca -0.06 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 2x3x h GLU 97 Cb 1.43 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 2x3x h GLU 97 CO 0.15 0.81 -0.38 0.28 -1.00 0.00 0.00 179.01 178.87 2x3x h VAL 98 N 0.94 0.23 -0.95 3.13 2.07 -1.45 -1.24 116.25 118.99 2x3x h VAL 98 Ca 0.22 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.88 2x3x h VAL 98 Cb 0.22 0.23 -0.09 0.00 -1.52 0.00 0.00 31.29 30.14 2x3x h VAL 98 CO -0.01 0.00 0.57 0.50 0.02 0.00 0.00 177.57 178.64 2x3x h LYS 99 N -0.94 0.81 0.44 1.57 3.64 -1.08 0.28 116.57 121.29 2x3x h LYS 99 Ca -0.08 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 2x3x h LYS 99 Cb 0.76 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 2x3x h LYS 99 CO 0.08 0.54 -0.21 -0.91 -2.27 0.00 0.00 179.45 176.67 2x3x h ASN 100 N 0.83 -0.50 0.15 4.20 2.35 -0.80 -2.24 115.58 119.58 2x3x h ASN 100 Ca 0.50 -0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 56.15 2x3x h ASN 100 Cb 0.61 0.13 -0.00 0.00 0.05 0.00 0.00 38.32 39.11 2x3x h ASN 100 CO -0.31 -0.16 -0.02 0.28 -1.65 0.00 0.00 177.43 175.57 2x3x h SER 101 N -0.88 0.00 -0.17 5.81 0.02 -0.45 1.34 113.55 119.22 2x3x h SER 101 Ca -0.06 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.70 2x3x h SER 101 Cb 0.57 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.11 2x3x h SER 101 CO 0.10 0.02 -0.62 -0.07 -1.14 0.00 0.00 176.83 175.12 2x3x h LEU 102 N 0.00 0.85 0.07 5.07 4.07 -0.42 -2.64 115.31 122.31 2x3x h LEU 102 Ca -0.00 -0.60 -0.37 0.00 0.08 0.00 0.00 57.88 56.98 2x3x h LEU 102 Cb 0.10 -0.25 -0.04 0.00 1.08 0.00 0.00 40.66 41.56 2x3x h LEU 102 CO 0.00 1.31 -2.15 0.18 -1.08 0.00 0.00 178.44 176.70 2x3x n LEU 103 N -4.06 2.72 0.07 1.67 4.77 0.19 -1.53 117.00 120.82 2x3x n LEU 103 Ca -0.07 0.10 -0.05 0.00 -0.03 0.00 0.00 56.01 55.96 2x3x n LEU 103 Cb 0.66 -1.04 -0.09 0.00 -2.33 0.00 0.00 43.42 40.63 2x3x n LEU 103 CO 0.50 0.86 0.14 0.78 -1.33 0.00 0.00 177.39 178.34 2x3x h ASN 104 N -0.02 0.00 0.00 -1.43 2.35 0.14 -3.31 115.58 113.31 2x3x h ASN 104 Ca -0.48 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.17 2x3x h ASN 104 Cb 1.95 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 40.31 2x3x h ASN 104 CO 0.00 0.88 -1.05 1.21 -1.65 0.00 0.00 177.43 176.83 2x3x n GLU 105 N -3.28 0.30 -0.05 0.81 2.13 -1.20 -4.52 120.64 114.83 2x3x n GLU 105 Ca -0.01 0.12 -0.12 0.00 0.66 0.00 0.00 57.16 57.81 2x3x n GLU 105 Cb 0.90 -1.02 -0.11 0.00 0.27 0.00 0.00 31.44 31.48 2x3x n GLU 105 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 2x3x h ASP 106 N -0.54 -0.01 -0.23 4.31 3.32 -1.47 -2.96 116.42 118.83 2x3x h ASP 106 Ca -0.15 -0.80 0.02 0.00 0.02 0.00 0.00 57.03 56.12 2x3x h ASP 106 Cb 0.85 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.38 2x3x h ASP 106 CO -0.09 0.85 0.08 0.25 -1.72 0.00 0.00 179.24 178.60 2x3x h LEU 107 N -0.93 0.08 -1.80 1.55 7.12 -1.45 -2.42 115.31 117.46 2x3x h LEU 107 Ca -0.00 0.02 -0.03 0.00 0.13 0.00 0.00 57.88 58.00 2x3x h LEU 107 Cb 0.81 0.02 -0.00 0.00 -0.53 0.00 0.00 40.66 40.95 2x3x h LEU 107 CO 0.00 0.08 -0.15 -0.33 -0.13 0.00 0.00 178.44 177.91 2x3x h GLU 108 N 0.18 0.00 -0.02 1.25 4.39 -1.68 -1.29 114.58 117.41 2x3x h GLU 108 Ca 0.10 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.80 2x3x h GLU 108 Cb 0.07 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.72 2x3x h GLU 108 CO -0.11 0.15 0.00 -0.22 -1.16 0.00 0.00 179.01 177.67 2x3x h LYS 109 N 0.00 0.03 -0.56 2.33 3.64 -1.26 -1.15 116.57 119.60 2x3x h LYS 109 Ca -0.00 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.30 2x3x h LYS 109 Cb 0.31 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 2x3x h LYS 109 CO 0.02 0.26 0.07 0.28 -2.27 0.00 0.00 179.45 177.82 2x3x h VAL 110 N -0.21 1.24 -0.09 2.00 2.07 -1.20 -1.02 116.25 119.05 2x3x h VAL 110 Ca 0.01 -0.95 -0.00 0.00 0.82 0.00 0.00 66.70 66.57 2x3x h VAL 110 Cb 0.25 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2x3x h VAL 110 CO 0.00 0.35 0.04 0.50 0.02 0.00 0.00 177.57 178.48 2x3x h LYS 111 N 0.85 0.13 0.00 1.57 3.64 -1.23 -2.01 116.57 119.52 2x3x h LYS 111 Ca 0.17 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 2x3x h LYS 111 Cb 0.40 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 2x3x h LYS 111 CO 0.01 0.24 0.00 -0.91 -2.27 0.00 0.00 179.45 176.52 2x3x h ASN 112 N -0.00 0.00 0.01 4.20 2.35 -1.05 -0.91 115.58 120.17 2x3x h ASN 112 Ca 0.03 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2x3x h ASN 112 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 2x3x h ASN 112 CO -0.00 0.00 -0.01 -0.25 -1.65 0.00 0.00 177.43 175.52 2x3x h TRP 113 N 0.00 -0.01 0.00 1.19 7.01 -1.04 -3.11 115.95 119.99 2x3x h TRP 113 Ca 0.00 -0.00 -0.04 0.00 2.11 0.00 0.00 58.89 60.96 2x3x h TRP 113 Cb 0.53 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.59 2x3x h TRP 113 CO 0.00 0.64 -0.17 -0.56 -2.79 0.00 0.00 178.44 175.56 2x3x h GLN 114 N -0.98 0.00 -0.60 2.65 3.07 -1.35 0.67 115.11 118.57 2x3x h GLN 114 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.70 2x3x h GLN 114 Cb 0.66 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.19 2x3x h GLN 114 CO 0.00 0.17 0.22 -0.22 0.09 0.00 0.00 178.83 179.09 2x3x h LYS 115 N 0.00 0.92 0.00 0.06 3.64 -1.30 -1.45 116.57 118.43 2x3x h LYS 115 Ca -0.00 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 2x3x h LYS 115 Cb 0.67 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 2x3x h LYS 115 CO 0.02 0.80 -0.52 -0.44 -2.27 0.00 0.00 179.45 177.04 2x3x h ASP 116 N 0.84 0.00 0.07 4.20 3.45 -1.07 -3.38 116.42 120.53 2x3x h ASP 116 Ca 0.20 -0.06 -0.37 0.00 0.43 0.00 0.00 57.03 57.22 2x3x h ASP 116 Cb 0.24 0.00 -0.05 0.00 -0.56 0.00 0.00 39.33 38.96 2x3x h ASP 116 CO -0.01 0.03 -2.27 0.00 -1.57 0.00 0.00 179.24 175.42 2x3x n ALA 117 N -2.00 1.27 -3.02 3.45 0.00 0.22 -4.93 120.51 115.49 2x3x n ALA 117 Ca 0.03 -0.94 -0.32 0.00 0.00 0.00 0.00 53.44 52.20 2x3x n ALA 117 Cb 0.50 -0.34 -0.16 0.00 0.00 0.00 0.00 19.45 19.45 2x3x n ALA 117 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2x3x s TYR 118 N -2.53 2.65 -0.12 0.00 2.02 -0.55 -4.93 117.35 113.88 2x3x s TYR 118 Ca -0.27 -0.76 0.02 0.00 -0.37 0.00 0.00 57.07 55.69 2x3x s TYR 118 Cb 0.08 -1.74 0.01 0.00 -0.40 0.00 0.00 41.96 39.91 2x3x s TYR 118 CO 0.69 -0.25 -0.18 -1.01 -1.57 0.00 0.00 175.55 173.23 2x3x s HIS 119 N 0.17 2.26 0.78 2.71 3.76 -1.26 -4.62 115.29 119.09 2x3x s HIS 119 Ca -0.11 -1.12 -0.11 0.00 -0.15 0.00 0.00 55.06 53.57 2x3x s HIS 119 Cb -0.16 -1.59 0.06 0.00 1.11 0.00 0.00 32.58 32.00 2x3x s HIS 119 CO 0.06 -0.55 1.08 0.21 -0.85 0.00 0.00 174.74 174.69 2x3x s LYS 120 N 0.97 2.25 0.22 1.40 2.47 -1.26 -0.88 119.74 124.92 2x3x s LYS 120 Ca -0.06 1.00 0.08 0.00 -1.56 0.00 0.00 55.97 55.43 2x3x s LYS 120 Cb -0.15 -1.91 -0.04 0.00 -1.46 0.00 0.00 37.83 34.27 2x3x s LYS 120 CO -0.03 -1.60 0.04 -1.14 0.16 0.00 0.00 175.35 172.79 2x3x s GLN 121 N -4.97 2.49 0.19 4.03 0.74 0.81 -4.52 119.66 118.43 2x3x s GLN 121 Ca 0.61 -1.20 -0.12 0.00 0.05 0.00 0.00 55.36 54.70 2x3x s GLN 121 Cb -0.16 -2.34 0.16 0.00 1.10 0.00 0.00 33.01 31.77 2x3x s GLN 121 CO 0.56 0.41 1.80 -0.84 -0.55 0.00 0.00 175.29 176.67 2x3x h ILE 122 N 2.05 0.99 -0.46 -2.34 -0.00 -1.97 -1.83 117.51 113.95 2x3x h ILE 122 Ca -0.46 -0.21 -0.27 0.00 -0.00 0.00 0.00 64.86 63.92 2x3x h ILE 122 Cb 1.23 0.33 -0.14 0.00 -0.00 0.00 0.00 36.82 38.24 2x3x h ILE 122 CO 0.60 0.11 0.34 0.80 -0.00 0.00 0.00 178.15 180.00 2x3x n MET 123 N -4.82 1.66 -1.15 0.16 1.56 -1.26 -5.00 117.12 108.26 2x3x n MET 123 Ca 0.06 -1.43 0.15 0.00 -0.27 0.00 0.00 57.70 56.20 2x3x n MET 123 Cb 0.13 -1.56 -0.05 0.00 2.15 0.00 0.00 33.22 33.89 2x3x n MET 123 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2x3x n GLY 124 N 0.01 -2.49 0.00 -5.12 0.00 -0.69 -5.05 105.19 91.86 2x3x n GLY 124 Ca 0.28 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 -3.94 -1.20 3.30 -0.02 0.00 -1.26 -4.28 105.19 97.79 2x3x n GLY 125 Ca -0.03 -1.56 -0.33 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.01 2.81 0.34 1.61 0.40 -1.26 -0.13 117.98 120.75 2x3x s PHE 126 Ca 0.00 -0.93 0.22 0.00 -0.60 0.00 0.00 56.93 55.62 2x3x s PHE 126 Cb 0.00 -1.90 1.21 0.00 0.51 0.00 0.00 43.02 42.83 2x3x s PHE 126 CO 0.00 -0.42 1.35 1.17 0.70 0.00 0.00 175.22 178.02 2x3x n LYS 127 N 4.01 -0.04 0.28 0.44 4.81 -0.06 0.15 118.16 127.76 2x3x n LYS 127 Ca -0.19 1.14 -0.15 0.00 -0.87 0.00 0.00 58.31 58.25 2x3x n LYS 127 Cb 0.52 -2.13 -0.08 0.00 0.02 0.00 0.00 35.03 33.36 2x3x n LYS 127 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2x3x h GLU 128 N 0.00 -0.69 0.23 1.64 3.07 -1.92 -2.91 114.58 114.01 2x3x h GLU 128 Ca 0.74 0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 59.64 2x3x h GLU 128 Cb 2.13 0.16 0.00 0.00 -0.84 0.00 0.00 28.75 30.20 2x3x h GLU 128 CO -0.56 -0.38 -0.11 1.15 -1.40 0.00 0.00 179.01 177.71 2x3x h THR 129 N -0.95 0.83 -1.00 1.13 2.02 -0.67 -2.17 112.91 112.10 2x3x h THR 129 Ca -0.07 -0.38 0.22 0.00 0.77 0.00 0.00 66.41 66.94 2x3x h THR 129 Cb 0.62 1.05 -0.10 0.00 -1.74 0.00 0.00 68.15 67.98 2x3x h THR 129 CO 0.12 0.09 0.62 0.50 0.37 0.00 0.00 175.52 177.22 2x3x h LYS 130 N -0.51 0.58 -0.14 6.66 1.63 -0.72 0.39 116.57 124.47 2x3x h LYS 130 Ca -0.03 -0.04 -0.17 0.00 -0.85 0.00 0.00 60.65 59.56 2x3x h LYS 130 Cb 0.38 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 31.88 2x3x h LYS 130 CO 0.05 0.39 -0.64 1.49 -3.45 0.00 0.00 179.45 177.29 2x3x h GLU 131 N 0.60 0.50 -0.70 1.90 4.81 -1.35 0.84 114.58 121.18 2x3x h GLU 131 Ca 0.59 -0.36 -0.00 0.00 -0.13 0.00 0.00 59.36 59.46 2x3x h GLU 131 Cb 1.14 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.55 2x3x h GLU 131 CO -0.36 0.98 0.43 0.00 -0.73 0.00 0.00 179.01 179.32 2x3x h ALA 132 N 0.94 0.89 0.59 2.92 0.00 0.23 -0.55 119.26 124.28 2x3x h ALA 132 Ca -0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2x3x h ALA 132 Cb 1.20 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.71 2x3x h ALA 132 CO 0.12 0.35 -0.28 1.49 0.00 0.00 0.00 179.25 180.92 2x3x h GLU 133 N 0.95 -0.77 -0.62 0.00 4.57 -0.19 -2.79 114.58 115.74 2x3x h GLU 133 Ca 0.25 0.05 0.07 0.00 -1.18 0.00 0.00 59.36 58.55 2x3x h GLU 133 Cb -0.05 0.17 -0.06 0.00 -0.16 0.00 0.00 28.75 28.66 2x3x h GLU 133 CO -0.05 -0.50 0.30 -0.44 -1.18 0.00 0.00 179.01 177.14 2x3x h ASP 134 N -0.81 0.40 -0.53 1.04 3.45 -0.69 -0.98 116.42 118.30 2x3x h ASP 134 Ca -0.08 0.05 0.03 0.00 0.43 0.00 0.00 57.03 57.46 2x3x h ASP 134 Cb 0.62 -0.02 -0.04 0.00 -0.56 0.00 0.00 39.33 39.32 2x3x h ASP 134 CO 0.13 0.25 0.30 1.23 -1.57 0.00 0.00 179.24 179.58 2x3x h GLY 135 N 0.55 0.75 0.77 2.75 0.00 -1.08 0.11 103.07 106.92 2x3x h GLY 135 Ca 0.29 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 2x3x h GLY 135 CO -0.22 0.16 0.01 0.74 0.00 0.00 0.00 176.54 177.23 2x3x h PHE 136 N 0.58 0.13 -0.88 5.60 0.05 -1.18 -1.00 116.94 120.23 2x3x h PHE 136 Ca 0.22 -0.02 0.07 0.00 3.82 0.00 0.00 57.97 62.06 2x3x h PHE 136 Cb 0.08 -0.03 -0.06 0.00 2.00 0.00 0.00 35.95 37.93 2x3x h PHE 136 CO -0.08 0.34 0.55 -0.09 -0.18 0.00 0.00 178.31 178.85 2x3x h ARG 137 N -0.13 0.96 -0.16 1.51 2.43 -0.80 -0.95 114.38 117.24 2x3x h ARG 137 Ca 0.02 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.04 2x3x h ARG 137 Cb 0.28 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 2x3x h ARG 137 CO 0.00 0.63 -0.28 -0.22 -1.51 0.00 0.00 179.97 178.60 2x3x h LYS 138 N 0.98 0.46 0.00 0.20 3.11 -0.70 -1.82 116.57 118.81 2x3x h LYS 138 Ca 0.39 -0.29 -0.01 0.00 -2.81 0.00 0.00 60.65 57.93 2x3x h LYS 138 Cb 0.20 0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 31.46 2x3x h LYS 138 CO -0.18 0.89 -0.05 0.00 -2.81 0.00 0.00 179.45 177.30 2x3x h ALA 139 N 0.57 1.03 0.00 5.00 0.00 -0.94 -2.84 119.26 122.08 2x3x h ALA 139 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2x3x h ALA 139 Cb 0.86 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2x3x h ALA 139 CO 0.06 0.06 -1.14 0.94 0.00 0.00 0.00 179.25 179.17 2x3x n GLN 140 N -3.19 0.23 -0.08 0.00 7.27 -0.38 -4.64 117.38 116.58 2x3x n GLN 140 Ca -0.00 -0.03 -0.07 0.00 0.07 0.00 0.00 57.00 56.96 2x3x n GLN 140 Cb 0.30 -1.54 -0.01 0.00 2.41 0.00 0.00 30.24 31.40 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 0.00 -0.21 0.28 3.69 3.64 -1.07 0.14 116.57 123.04 2x3x h LYS 141 Ca 0.00 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 2x3x h LYS 141 Cb 0.68 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 2x3x h LYS 141 CO 0.00 -0.14 -0.13 -1.35 -2.27 0.00 0.00 179.45 175.56 2x3x h PRO 142 N -0.21 -0.36 -0.12 1.90 0.11 -1.82 -0.53 132.00 130.97 2x3x h PRO 142 Ca 0.16 0.02 0.04 0.00 0.11 0.00 0.00 66.00 66.34 2x3x h PRO 142 Cb 0.47 0.08 -0.06 0.00 0.11 0.00 0.00 31.00 31.60 2x3x h PRO 142 CO -0.45 -0.11 -0.37 2.35 -0.21 0.00 0.00 178.00 179.21 2x3x h TRP 143 N -0.58 -1.04 -0.79 0.65 2.91 -1.82 0.11 115.95 115.39 2x3x h TRP 143 Ca -0.04 0.04 0.15 0.00 1.13 0.00 0.00 58.89 60.17 2x3x h TRP 143 Cb 0.42 0.47 -0.06 0.00 -0.51 0.00 0.00 29.16 29.49 2x3x h TRP 143 CO -0.01 -0.44 0.53 0.00 -1.03 0.00 0.00 178.44 177.49 2x3x h ALA 144 N 0.26 2.04 -0.13 2.65 0.00 -0.63 0.97 119.26 124.42 2x3x h ALA 144 Ca 0.08 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.80 2x3x h ALA 144 Cb 0.59 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2x3x h ALA 144 CO -0.37 -0.25 -0.72 -0.22 0.00 0.00 0.00 179.25 177.69 2x3x h LYS 145 N 0.49 0.59 -0.31 0.00 3.64 0.04 -3.19 116.57 117.84 2x3x h LYS 145 Ca 0.39 -0.47 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 2x3x h LYS 145 Cb 0.82 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.71 2x3x h LYS 145 CO -0.14 1.09 -0.03 0.87 -2.27 0.00 0.00 179.45 178.97 2x3x h LYS 146 N 0.41 0.48 -0.06 1.90 6.56 0.17 -2.88 116.57 123.14 2x3x h LYS 146 Ca -0.03 -0.10 -0.14 0.00 -1.06 0.00 0.00 60.65 59.32 2x3x h LYS 146 Cb 1.31 -0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 32.89 2x3x h LYS 146 CO 0.14 0.53 -0.57 0.52 -2.06 0.00 0.00 179.45 178.00 2x3x h MET 147 N 0.46 0.19 -0.78 3.15 2.86 -1.34 -0.47 114.93 119.00 2x3x h MET 147 Ca 0.10 -0.13 -0.05 0.00 -2.06 0.00 0.00 59.70 57.56 2x3x h MET 147 Cb 0.34 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 2x3x h MET 147 CO 0.01 0.71 0.29 -0.22 1.06 0.00 0.00 176.91 178.77 2x3x h LYS 148 N 0.15 1.17 -0.26 1.72 3.64 -1.50 0.27 116.57 121.76 2x3x h LYS 148 Ca -0.00 -0.22 -0.17 0.00 -1.27 0.00 0.00 60.65 58.98 2x3x h LYS 148 Cb 1.05 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 2x3x h LYS 148 CO 0.09 0.96 -0.50 0.93 -2.27 0.00 0.00 179.45 178.65 2x3x h GLU 149 N 1.14 0.81 -0.70 1.90 4.39 -1.48 -3.23 114.58 117.41 2x3x h GLU 149 Ca 0.26 -0.52 0.04 0.00 0.34 0.00 0.00 59.36 59.48 2x3x h GLU 149 Cb 0.24 0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.90 2x3x h GLU 149 CO -0.02 1.15 0.43 1.25 -1.16 0.00 0.00 179.01 180.65 2x3x h LEU 150 N 0.57 0.68 0.01 1.33 5.85 -0.47 0.38 115.31 123.66 2x3x h LEU 150 Ca 0.01 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 2x3x h LEU 150 Cb 1.11 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.00 2x3x h LEU 150 CO 0.11 0.47 -0.00 -0.08 -0.34 0.00 0.00 178.44 178.60 2x3x h GLU 151 N 0.82 -0.01 -0.43 1.25 4.57 -1.05 -0.73 114.58 119.00 2x3x h GLU 151 Ca 0.29 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.35 2x3x h GLU 151 Cb 0.06 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 2x3x h GLU 151 CO -0.13 0.26 -0.21 0.00 -1.18 0.00 0.00 179.01 177.75 2x3x h ALA 152 N 0.72 0.82 -0.16 2.92 0.00 -1.55 0.36 119.26 122.37 2x3x h ALA 152 Ca -0.00 -0.37 0.05 0.00 0.00 0.00 0.00 54.91 54.58 2x3x h ALA 152 Cb 0.27 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 2x3x h ALA 152 CO 0.00 0.65 -0.15 0.00 0.00 0.00 0.00 179.25 179.75 2x3x h ALA 153 N 1.01 -0.04 0.42 0.00 0.00 -0.90 0.99 119.26 120.74 2x3x h ALA 153 Ca 0.10 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2x3x h ALA 153 Cb 0.74 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2x3x h ALA 153 CO 0.06 -0.59 -0.20 -0.22 0.00 0.00 0.00 179.25 178.30 2x3x h LYS 154 N -0.17 -0.55 -0.99 0.00 3.64 -0.69 0.23 116.57 118.04 2x3x h LYS 154 Ca 0.10 0.04 0.12 0.00 -1.27 0.00 0.00 60.65 59.64 2x3x h LYS 154 Cb 0.32 0.12 -0.08 0.00 -0.41 0.00 0.00 32.23 32.18 2x3x h LYS 154 CO -0.26 -0.33 0.63 0.87 -2.27 0.00 0.00 179.45 178.09 2x3x h LYS 155 N -0.64 0.93 0.16 1.90 1.57 -0.92 -0.74 116.57 118.84 2x3x h LYS 155 Ca -0.06 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 2x3x h LYS 155 Cb 0.47 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 2x3x h LYS 155 CO 0.10 0.62 -0.26 0.00 -0.57 0.00 0.00 179.45 179.33 2x3x h ALA 156 N 1.55 -0.48 -0.64 3.86 0.00 -0.33 -2.23 119.26 120.99 2x3x h ALA 156 Ca 0.49 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.45 2x3x h ALA 156 Cb 0.52 0.41 -0.08 0.00 0.00 0.00 0.00 17.79 18.64 2x3x h ALA 156 CO -0.26 -0.81 0.24 -0.92 0.00 0.00 0.00 179.25 177.50 2x3x h TYR 157 N -0.50 0.41 0.00 0.00 5.03 0.11 -1.95 116.97 120.07 2x3x h TYR 157 Ca 0.02 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.33 2x3x h TYR 157 Cb 0.50 -0.09 -0.00 0.00 1.55 0.00 0.00 36.73 38.69 2x3x h TYR 157 CO -0.22 0.09 -0.13 0.45 -1.32 0.00 0.00 178.16 177.03 2x3x h HIS 158 N 0.41 0.00 0.38 -3.82 3.86 -0.96 -2.71 115.15 112.31 2x3x h HIS 158 Ca 0.33 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.52 2x3x h HIS 158 Cb 0.42 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.89 2x3x h HIS 158 CO -0.17 0.13 -0.18 1.25 0.86 0.00 0.00 177.93 179.82 2x3x h LEU 159 N 0.00 -0.43 -0.99 2.43 6.46 -0.74 -2.75 115.31 119.29 2x3x h LEU 159 Ca -0.00 0.01 0.30 0.00 -0.12 0.00 0.00 57.88 58.07 2x3x h LEU 159 Cb 0.51 0.11 -0.18 0.00 -0.73 0.00 0.00 40.66 40.37 2x3x h LEU 159 CO 0.02 -0.23 0.14 0.00 -0.62 0.00 0.00 178.44 177.75 2x3x h ALA 160 N -1.60 1.38 0.02 1.25 0.00 -1.32 0.66 119.26 119.64 2x3x h ALA 160 Ca -0.05 0.32 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 2x3x h ALA 160 Cb 0.39 0.53 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 2x3x h ALA 160 CO 0.09 -0.64 -0.03 0.00 0.00 0.00 0.00 179.25 178.66 2x3x h LYS 162 N -0.06 0.31 -0.27 0.00 3.64 -0.80 0.36 116.57 119.75 2x3x h LYS 162 Ca -0.00 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.23 2x3x h LYS 162 Cb 0.05 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2x3x h LYS 162 CO -0.01 0.21 -0.38 0.93 -2.27 0.00 0.00 179.45 177.92 2x3x h GLU 163 N 0.32 0.62 -0.04 1.90 4.39 -0.71 -2.21 114.58 118.85 2x3x h GLU 163 Ca 0.59 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.98 2x3x h GLU 163 Cb 1.63 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.28 2x3x h GLU 163 CO -0.25 0.90 0.00 -0.85 -1.16 0.00 0.00 179.01 177.65 2x3x n GLU 164 N -4.04 1.51 -0.10 2.33 0.28 0.10 -1.30 120.64 119.42 2x3x n GLU 164 Ca -0.02 -0.75 -0.21 0.00 -0.16 0.00 0.00 57.16 56.02 2x3x n GLU 164 Cb 0.51 -1.45 -0.11 0.00 1.43 0.00 0.00 31.44 31.82 2x3x n GLU 164 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 2x3x n ARG 165 N -0.07 0.56 -0.09 3.44 3.00 0.11 -3.67 116.66 119.94 2x3x n ARG 165 Ca 0.19 0.55 -0.11 0.00 -0.00 0.00 0.00 57.85 58.47 2x3x n ARG 165 Cb 0.29 -1.72 -0.04 0.00 0.00 0.00 0.00 32.46 30.98 2x3x n ARG 165 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 2x3x h LEU 166 N -1.00 0.46 -1.51 6.15 4.07 -1.52 -1.80 115.31 120.17 2x3x h LEU 166 Ca -0.35 -0.33 0.07 0.00 0.08 0.00 0.00 57.88 57.35 2x3x h LEU 166 Cb 1.27 -0.12 -0.04 0.00 1.08 0.00 0.00 40.66 42.84 2x3x h LEU 166 CO -0.21 0.68 0.42 0.00 -1.08 0.00 0.00 178.44 178.25 2x3x h ALA 167 N 0.79 1.83 0.19 1.53 0.00 -1.41 0.24 119.26 122.43 2x3x h ALA 167 Ca 0.07 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.71 2x3x h ALA 167 Cb 0.46 -0.14 0.03 0.00 0.00 0.00 0.00 17.79 18.14 2x3x h ALA 167 CO 0.02 0.06 -1.12 1.98 0.00 0.00 0.00 179.25 180.18 2x3x h MET 168 N 0.59 0.42 0.00 0.00 -1.53 -1.62 -2.67 114.93 110.11 2x3x h MET 168 Ca 0.28 -0.71 -0.06 0.00 -3.44 0.00 0.00 59.70 55.77 2x3x h MET 168 Cb 0.34 0.26 -0.01 0.00 -0.55 0.00 0.00 31.60 31.64 2x3x h MET 168 CO -0.09 1.34 -0.29 1.15 0.14 0.00 0.00 176.91 179.16 2x3x h THR 169 N -0.13 0.94 0.01 -0.77 2.02 -0.85 0.28 112.91 114.42 2x3x h THR 169 Ca -0.20 -1.09 -0.27 0.00 0.77 0.00 0.00 66.41 65.63 2x3x h THR 169 Cb 1.89 1.64 0.02 0.00 -1.74 0.00 0.00 68.15 69.95 2x3x h THR 169 CO 0.21 0.28 -1.05 -0.09 0.37 0.00 0.00 175.52 175.24 2x3x h ARG 170 N 0.00 0.67 0.38 6.66 9.65 -0.61 -2.83 114.38 128.30 2x3x h ARG 170 Ca -0.00 -0.74 -0.02 0.00 -1.10 0.00 0.00 59.98 58.12 2x3x h ARG 170 Cb 0.61 0.21 0.00 0.00 -1.39 0.00 0.00 29.97 29.41 2x3x h ARG 170 CO 0.04 1.31 -0.18 1.49 2.80 0.00 0.00 179.97 185.43 2x3x h GLU 171 N 0.37 -0.50 -0.19 0.20 4.57 -1.20 -3.25 114.58 114.58 2x3x h GLU 171 Ca -0.13 0.03 0.06 0.00 -1.18 0.00 0.00 59.36 58.14 2x3x h GLU 171 Cb 1.70 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 30.40 2x3x h GLU 171 CO 0.20 -0.22 0.21 1.98 -1.18 0.00 0.00 179.01 180.00 2x3x h MET 172 N -0.72 0.00 -0.07 1.92 4.05 -0.52 -0.97 114.93 118.63 2x3x h MET 172 Ca -0.05 0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.39 2x3x h MET 172 Cb 0.50 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.30 2x3x h MET 172 CO 0.09 0.00 0.06 -0.91 0.23 0.00 0.00 176.91 176.37 2x3x h ASN 173 N 0.00 0.00 -1.36 1.39 2.35 -1.53 -3.39 115.58 113.04 2x3x h ASN 173 Ca 0.09 0.00 -0.48 0.00 -0.55 0.00 0.00 56.30 55.36 2x3x h ASN 173 Cb 0.51 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.81 2x3x h ASN 173 CO -0.00 0.00 1.17 -0.44 -1.65 0.00 0.00 177.43 176.51 2x3x s SER 174 N -6.57 5.84 0.00 5.81 0.01 -0.37 -4.85 113.70 113.57 2x3x s SER 174 Ca -0.05 -0.76 0.00 0.00 1.31 0.00 0.00 55.95 56.45 2x3x s SER 174 Cb 0.16 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.84 2x3x s SER 174 CO 0.62 -2.07 0.00 0.29 0.41 0.00 0.00 173.24 172.49 2x3x n LYS 175 N 9.02 0.00 -3.54 12.44 4.01 -1.26 -4.91 118.16 133.91 2x3x n LYS 175 Ca 0.28 0.00 -0.29 0.00 -0.51 0.00 0.00 58.31 57.79 2x3x n LYS 175 Cb 0.50 0.00 -0.08 0.00 -0.51 0.00 0.00 35.03 34.93 2x3x n LYS 175 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 2x3x n THR 176 N 0.00 2.40 -4.15 -0.18 -1.04 -1.26 -5.08 114.28 104.97 2x3x n THR 176 Ca 0.00 -5.17 -0.25 0.00 -2.04 0.00 0.00 64.05 56.59 2x3x n THR 176 Cb 0.00 -2.14 -0.06 0.00 -1.82 0.00 0.00 70.33 66.31 2x3x n THR 176 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2x3x s GLU 177 N -2.16 2.69 0.07 -2.82 0.41 -1.26 -5.05 118.70 110.58 2x3x s GLU 177 Ca 0.35 -1.03 -0.10 0.00 -0.41 0.00 0.00 54.97 53.77 2x3x s GLU 177 Cb 0.08 -2.49 -0.28 0.00 -1.78 0.00 0.00 34.13 29.66 2x3x s GLU 177 CO -0.06 0.45 1.12 1.96 -0.49 0.00 0.00 175.26 178.24 2x3x h GLN 178 N 2.28 0.44 -0.73 1.61 4.20 -2.03 -3.28 115.11 117.59 2x3x h GLN 178 Ca -0.47 -0.67 -0.04 0.00 0.06 0.00 0.00 58.65 57.53 2x3x h GLN 178 Cb 1.21 0.24 -0.03 0.00 0.30 0.00 0.00 27.48 29.20 2x3x h GLN 178 CO 0.61 1.30 0.31 0.77 -0.67 0.00 0.00 178.83 181.15 2x3x h SER 179 N 0.16 0.99 0.00 1.46 0.02 -2.04 -3.37 113.55 110.77 2x3x h SER 179 Ca -0.17 -0.16 -0.62 0.00 -0.84 0.00 0.00 61.79 59.99 2x3x h SER 179 Cb 1.97 -0.26 0.01 0.00 0.14 0.00 0.00 62.40 64.26 2x3x h SER 179 CO 0.23 0.88 2.84 1.33 -1.14 0.00 0.00 176.83 180.97 2x3x n VAL 180 N -4.37 2.80 -2.27 2.27 0.24 -1.24 -4.89 118.33 110.87 2x3x n VAL 180 Ca 0.06 -2.16 -0.43 0.00 -2.04 0.00 0.00 64.34 59.78 2x3x n VAL 180 Cb 0.16 -2.42 -0.02 0.00 -1.47 0.00 0.00 33.84 30.09 2x3x n VAL 180 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2x3x s THR 181 N 3.75 3.98 -0.61 3.34 -4.23 -1.26 -4.82 115.64 115.78 2x3x s THR 181 Ca 0.53 1.23 -0.21 0.00 -1.18 0.00 0.00 61.69 62.05 2x3x s THR 181 Cb 0.14 -3.79 -0.21 0.00 1.34 0.00 0.00 72.50 69.98 2x3x s THR 181 CO -0.00 -0.08 1.71 -2.65 -0.54 0.00 0.00 174.62 173.06 2x3x n PRO 182 N 6.46 0.05 0.00 3.99 -0.02 -1.26 -0.43 135.00 143.79 2x3x n PRO 182 Ca 0.15 -1.15 0.00 0.00 -2.02 0.00 0.00 63.50 60.47 2x3x n PRO 182 Cb 0.44 -2.95 0.00 0.00 -0.02 0.00 0.00 33.50 30.97 2x3x n PRO 182 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2x3x n GLU 183 N 7.16 0.00 0.04 -0.52 0.28 -1.26 -4.92 120.64 121.41 2x3x n GLU 183 Ca 0.32 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 57.25 2x3x n GLU 183 Cb 0.45 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 33.21 2x3x n GLU 183 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 2x3x h GLN 184 N 0.00 0.00 -0.51 3.44 4.15 -1.12 -3.36 115.11 117.71 2x3x h GLN 184 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2x3x h GLN 184 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 2x3x h GLN 184 CO 0.00 0.79 0.00 0.94 -1.93 0.00 0.00 178.83 178.63 2x3x n GLN 185 N -3.23 2.08 -0.10 1.69 7.27 -0.92 -2.66 117.38 121.50 2x3x n GLN 185 Ca -0.05 -1.19 0.12 0.00 0.07 0.00 0.00 57.00 55.94 2x3x n GLN 185 Cb 0.96 -1.47 0.22 0.00 2.41 0.00 0.00 30.24 32.36 2x3x n GLN 185 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 2x3x n LYS 186 N 0.35 2.30 0.05 3.69 3.00 -1.26 -3.94 118.16 122.34 2x3x n LYS 186 Ca 0.11 -1.93 0.13 0.00 -0.00 0.00 0.00 58.31 56.62 2x3x n LYS 186 Cb 0.41 -1.48 0.31 0.00 0.00 0.00 0.00 35.03 34.27 2x3x n LYS 186 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2x3x n LYS 187 N 1.21 0.18 0.02 1.64 4.76 -1.09 -2.12 118.16 122.77 2x3x n LYS 187 Ca 0.17 0.09 -0.02 0.00 -2.87 0.00 0.00 58.31 55.68 2x3x n LYS 187 Cb 0.55 -1.65 -0.09 0.00 -1.84 0.00 0.00 35.03 32.00 2x3x n LYS 187 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2x3x h LEU 188 N 0.00 0.00 -0.02 -0.35 3.38 -1.78 -2.59 115.31 113.94 2x3x h LEU 188 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2x3x h LEU 188 Cb 0.66 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.41 2x3x h LEU 188 CO 0.00 0.67 -0.29 0.58 0.09 0.00 0.00 178.44 179.49 2x3x h VAL 189 N 0.00 1.49 -0.72 1.22 2.07 -1.72 -1.28 116.25 117.31 2x3x h VAL 189 Ca -0.19 -1.85 0.16 0.00 0.82 0.00 0.00 66.70 65.65 2x3x h VAL 189 Cb 1.67 2.57 -0.12 0.00 -1.52 0.00 0.00 31.29 33.90 2x3x h VAL 189 CO 0.05 0.52 0.05 0.44 0.02 0.00 0.00 177.57 178.65 2x3x h ASP 190 N -0.35 -0.24 0.00 0.57 3.45 -1.57 -0.31 116.42 117.97 2x3x h ASP 190 Ca -0.03 0.17 0.00 0.00 0.43 0.00 0.00 57.03 57.60 2x3x h ASP 190 Cb 1.00 0.29 0.00 0.00 -0.56 0.00 0.00 39.33 40.05 2x3x h ASP 190 CO 0.06 -0.13 0.00 1.17 -1.57 0.00 0.00 179.24 178.77 2x3x n LYS 191 N -5.28 0.00 -0.31 3.56 3.00 -0.98 -3.45 118.16 114.70 2x3x n LYS 191 Ca 0.13 0.23 0.10 0.00 -0.00 0.00 0.00 58.31 58.77 2x3x n LYS 191 Cb 0.44 -1.12 0.26 0.00 0.00 0.00 0.00 35.03 34.62 2x3x n LYS 191 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.40 177.01 2x3x h VAL 192 N 0.00 0.66 0.00 3.15 -1.51 -1.15 0.42 116.25 117.83 2x3x h VAL 192 Ca 0.00 -0.21 0.00 0.00 -1.23 0.00 0.00 66.70 65.26 2x3x h VAL 192 Cb 0.00 0.01 0.00 0.00 -2.13 0.00 0.00 31.29 29.17 2x3x h VAL 192 CO 0.00 0.11 0.00 0.47 -1.23 0.00 0.00 177.57 176.92 2x3x n ASP 193 N -4.89 0.00 0.00 4.19 10.43 -0.14 0.18 116.55 126.32 2x3x n ASP 193 Ca 0.20 -1.40 0.00 0.00 2.57 0.00 0.00 54.79 56.16 2x3x n ASP 193 Cb 0.51 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.47 2x3x n ASP 193 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 2x3x n LYS 194 N -0.74 1.25 -0.33 -1.24 4.76 -1.01 -4.25 118.16 116.60 2x3x n LYS 194 Ca 0.10 0.00 0.26 0.00 -2.87 0.00 0.00 58.31 55.80 2x3x n LYS 194 Cb 0.05 -0.85 0.51 0.00 -1.84 0.00 0.00 35.03 32.89 2x3x n LYS 194 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2x3x h ARG 196 N 0.25 -0.01 -0.40 0.00 2.43 0.16 -3.33 114.38 113.48 2x3x h ARG 196 Ca 0.76 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.93 2x3x h ARG 196 Cb 1.82 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.37 2x3x h ARG 196 CO -0.64 0.69 0.00 1.04 -1.51 0.00 0.00 179.97 179.55 2x3x n GLN 197 N -4.67 0.62 0.00 0.20 3.00 -0.67 0.01 117.38 115.87 2x3x n GLN 197 Ca -0.07 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 56.93 2x3x n GLN 197 Cb 0.34 -1.20 -0.01 0.00 0.00 0.00 0.00 30.24 29.37 2x3x n GLN 197 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 2x3x n ASP 198 N -0.05 0.38 -0.18 1.08 5.75 0.87 -4.23 116.55 120.16 2x3x n ASP 198 Ca 0.00 -0.69 -0.00 0.00 -0.01 0.00 0.00 54.79 54.09 2x3x n ASP 198 Cb 0.10 0.75 0.23 0.00 -1.03 0.00 0.00 41.12 41.17 2x3x n ASP 198 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 2x3x h VAL 199 N 0.12 1.20 -0.37 2.12 2.07 -0.53 0.27 116.25 121.13 2x3x h VAL 199 Ca 0.00 -0.48 0.05 0.00 0.82 0.00 0.00 66.70 67.08 2x3x h VAL 199 Cb 0.06 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.06 2x3x h VAL 199 CO 0.00 0.22 0.12 1.56 0.02 0.00 0.00 177.57 179.49 2x3x h GLN 200 N 0.94 0.26 0.21 1.57 4.20 -1.74 0.70 115.11 121.24 2x3x h GLN 200 Ca 0.24 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.93 2x3x h GLN 200 Cb 0.01 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.73 2x3x h GLN 200 CO -0.04 0.17 -0.10 -0.22 -0.67 0.00 0.00 178.83 177.97 2x3x h LYS 201 N 0.26 -0.27 -0.05 1.46 3.64 -1.64 -1.05 116.57 118.92 2x3x h LYS 201 Ca 0.17 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.50 2x3x h LYS 201 Cb 0.16 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 2x3x h LYS 201 CO -0.19 -0.17 -0.31 0.00 -2.27 0.00 0.00 179.45 176.51 2x3x h THR 202 N -0.28 1.24 0.08 1.00 1.03 -0.68 -2.63 112.91 112.67 2x3x h THR 202 Ca -0.03 -1.15 -0.00 0.00 -0.01 0.00 0.00 66.41 65.22 2x3x h THR 202 Cb 0.21 1.55 0.00 0.00 -1.07 0.00 0.00 68.15 68.84 2x3x h THR 202 CO 0.05 0.34 -0.04 -0.61 -0.01 0.00 0.00 175.52 175.25 2x3x h GLN 203 N 0.09 -0.10 -0.44 0.00 4.15 0.55 -2.54 115.11 116.81 2x3x h GLN 203 Ca 0.01 0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.53 2x3x h GLN 203 Cb 0.59 0.02 -0.08 0.00 0.21 0.00 0.00 27.48 28.23 2x3x h GLN 203 CO 0.04 0.27 -0.10 1.49 -1.93 0.00 0.00 178.83 178.61 2x3x h GLU 204 N -0.49 0.01 0.59 1.69 4.81 -0.89 0.42 114.58 120.71 2x3x h GLU 204 Ca -0.01 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 2x3x h GLU 204 Cb 0.42 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 2x3x h GLU 204 CO 0.02 0.01 -0.42 -0.22 -0.73 0.00 0.00 179.01 177.66 2x3x h LYS 205 N 0.01 -0.94 -1.00 1.92 3.64 -1.53 0.14 116.57 118.82 2x3x h LYS 205 Ca 0.21 0.06 0.16 0.00 -1.27 0.00 0.00 60.65 59.82 2x3x h LYS 205 Cb 0.32 0.21 -0.10 0.00 -0.41 0.00 0.00 32.23 32.26 2x3x h LYS 205 CO -0.44 -0.62 0.62 -0.92 -2.27 0.00 0.00 179.45 175.81 2x3x h TYR 206 N -0.97 1.08 -0.27 1.91 -0.00 -0.93 0.50 116.97 118.29 2x3x h TYR 206 Ca -0.07 0.03 -0.07 0.00 -0.00 0.00 0.00 58.73 58.62 2x3x h TYR 206 Cb 0.81 -0.33 -0.02 0.00 -0.00 0.00 0.00 36.73 37.19 2x3x h TYR 206 CO -0.15 0.32 -0.14 0.93 -0.00 0.00 0.00 178.16 179.12 2x3x h GLU 207 N 0.84 0.45 0.01 1.82 5.08 0.20 -2.82 114.58 120.17 2x3x h GLU 207 Ca 0.54 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.77 2x3x h GLU 207 Cb 0.74 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2x3x h GLU 207 CO -0.33 0.59 -0.00 -0.22 -1.00 0.00 0.00 179.01 178.05 2x3x h LYS 208 N 0.42 -0.01 -0.70 2.33 3.11 0.26 -2.71 116.57 119.27 2x3x h LYS 208 Ca 0.08 0.00 0.14 0.00 -2.81 0.00 0.00 60.65 58.05 2x3x h LYS 208 Cb 0.50 0.00 -0.13 0.00 -1.00 0.00 0.00 32.23 31.60 2x3x h LYS 208 CO 0.03 0.81 -0.21 0.28 -2.81 0.00 0.00 179.45 177.55 2x3x h VAL 209 N -0.93 0.26 -0.85 2.00 2.07 -0.59 0.72 116.25 118.93 2x3x h VAL 209 Ca -0.00 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.69 2x3x h VAL 209 Cb 0.83 0.26 -0.10 0.00 -1.52 0.00 0.00 31.29 30.75 2x3x h VAL 209 CO 0.00 0.00 0.40 0.25 0.02 0.00 0.00 177.57 178.24 2x3x h LEU 210 N -0.03 0.42 -0.10 2.57 7.12 -1.50 -1.52 115.31 122.27 2x3x h LEU 210 Ca 0.33 0.11 0.00 0.00 0.13 0.00 0.00 57.88 58.45 2x3x h LEU 210 Cb 0.53 0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 40.72 2x3x h LEU 210 CO -0.73 0.13 0.07 -0.33 -0.13 0.00 0.00 178.44 177.44 2x3x h GLU 211 N 0.52 0.14 0.38 1.25 5.08 -0.53 -1.66 114.58 119.76 2x3x h GLU 211 Ca 0.48 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.82 2x3x h GLU 211 Cb 0.78 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 2x3x h GLU 211 CO -0.42 0.11 -0.22 -0.44 -1.00 0.00 0.00 179.01 177.04 2x3x h ASP 212 N 0.12 -0.54 -1.11 1.42 3.45 -0.93 -1.91 116.42 116.93 2x3x h ASP 212 Ca 0.04 0.03 0.31 0.00 0.43 0.00 0.00 57.03 57.84 2x3x h ASP 212 Cb 0.01 0.15 -0.11 0.00 -0.56 0.00 0.00 39.33 38.82 2x3x h ASP 212 CO -0.01 -0.35 0.71 0.58 -1.57 0.00 0.00 179.24 178.60 2x3x h VAL 213 N -0.57 0.41 -0.29 -1.35 2.07 -1.19 0.34 116.25 115.67 2x3x h VAL 213 Ca -0.04 -0.11 -0.08 0.00 0.82 0.00 0.00 66.70 67.29 2x3x h VAL 213 Cb 0.46 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 2x3x h VAL 213 CO 0.06 0.06 -0.14 1.23 0.02 0.00 0.00 177.57 178.79 2x3x h GLY 214 N 0.31 0.66 1.54 2.17 0.00 -0.74 -2.77 103.07 104.23 2x3x h GLY 214 Ca 0.66 -0.59 -0.15 0.00 0.00 0.00 0.00 47.33 47.25 2x3x h GLY 214 CO -0.34 0.54 -0.51 0.50 0.00 0.00 0.00 176.54 176.73 2x3x h LYS 215 N 0.35 0.49 -0.63 4.80 1.79 0.25 -3.15 116.57 120.48 2x3x h LYS 215 Ca 0.06 -0.29 -0.09 0.00 -2.18 0.00 0.00 60.65 58.16 2x3x h LYS 215 Cb 0.66 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.31 2x3x h LYS 215 CO 0.04 0.88 0.05 1.15 -1.08 0.00 0.00 179.45 180.49 2x3x h THR 216 N 0.39 1.26 -0.77 -0.16 2.02 -0.57 -3.36 112.91 111.72 2x3x h THR 216 Ca 0.02 -1.10 0.18 0.00 0.77 0.00 0.00 66.41 66.27 2x3x h THR 216 Cb 1.02 0.72 -0.12 0.00 -1.74 0.00 0.00 68.15 68.03 2x3x h THR 216 CO 0.09 0.41 0.11 0.71 0.37 0.00 0.00 175.52 177.21 2x3x h THR 217 N 1.00 0.40 -0.34 3.16 1.35 -1.44 -0.34 112.91 116.69 2x3x h THR 217 Ca 0.19 -0.06 0.07 0.00 -0.55 0.00 0.00 66.41 66.06 2x3x h THR 217 Cb 0.51 0.20 -0.08 0.00 -1.73 0.00 0.00 68.15 67.05 2x3x h THR 217 CO 0.02 0.03 -0.17 -0.65 -0.25 0.00 0.00 175.52 174.51 2x3x h PRO 218 N 0.18 -0.11 0.00 4.72 0.11 -1.78 0.13 132.00 135.25 2x3x h PRO 218 Ca 0.44 0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.49 2x3x h PRO 218 Cb 0.79 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.92 2x3x h PRO 218 CO -0.61 -0.07 -0.31 1.96 -0.21 0.00 0.00 178.00 178.77 2x3x h GLN 219 N -0.11 0.00 0.12 1.05 7.50 -1.35 0.12 115.11 122.44 2x3x h GLN 219 Ca 0.17 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.32 2x3x h GLN 219 Cb 0.38 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.91 2x3x h GLN 219 CO -0.41 0.31 -0.06 -0.92 -1.50 0.00 0.00 178.83 176.25 2x3x h TYR 220 N 0.00 -0.15 -0.08 2.96 3.20 -0.40 -2.68 116.97 119.82 2x3x h TYR 220 Ca -0.00 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 2x3x h TYR 220 Cb 0.75 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 39.07 2x3x h TYR 220 CO 0.00 0.12 0.01 0.52 -1.64 0.00 0.00 178.16 177.17 2x3x h MET 221 N -0.41 0.14 -0.70 1.82 2.86 -0.50 -1.87 114.93 116.27 2x3x h MET 221 Ca -0.02 -0.04 0.10 0.00 -2.06 0.00 0.00 59.70 57.69 2x3x h MET 221 Cb 0.34 -0.01 -0.12 0.00 0.06 0.00 0.00 31.60 31.86 2x3x h MET 221 CO 0.03 0.38 -0.42 1.49 1.06 0.00 0.00 176.91 179.45 2x3x h GLU 222 N -0.13 -0.15 -0.16 1.72 4.57 -0.85 0.13 114.58 119.72 2x3x h GLU 222 Ca 0.02 0.01 -0.14 0.00 -1.18 0.00 0.00 59.36 58.08 2x3x h GLU 222 Cb 0.32 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 2x3x h GLU 222 CO 0.00 -0.10 -0.49 0.78 -1.18 0.00 0.00 179.01 178.02 2x3x h GLY 223 N -0.15 0.46 1.73 1.92 0.00 -1.47 -1.61 103.07 103.95 2x3x h GLY 223 Ca 0.22 -0.50 -0.10 0.00 0.00 0.00 0.00 47.33 46.95 2x3x h GLY 223 CO -0.77 0.45 -0.37 -0.33 0.00 0.00 0.00 176.54 175.52 2x3x h MET 224 N 0.33 0.30 0.01 4.80 2.86 -0.65 -2.91 114.93 119.69 2x3x h MET 224 Ca 0.02 -0.13 -0.21 0.00 -2.06 0.00 0.00 59.70 57.31 2x3x h MET 224 Cb 0.98 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.63 2x3x h MET 224 CO 0.09 0.64 -0.93 1.49 1.06 0.00 0.00 176.91 179.26 2x3x h GLU 225 N 0.26 0.21 0.17 1.72 4.81 -0.64 -2.62 114.58 118.49 2x3x h GLU 225 Ca 0.03 -0.25 -0.00 0.00 -0.13 0.00 0.00 59.36 59.01 2x3x h GLU 225 Cb 0.78 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.21 2x3x h GLU 225 CO 0.06 1.00 -0.26 0.37 -0.73 0.00 0.00 179.01 179.44 2x3x h GLN 226 N 0.11 -0.44 -0.87 1.92 5.75 -1.13 -0.14 115.11 120.32 2x3x h GLN 226 Ca -0.05 0.03 0.13 0.00 -0.15 0.00 0.00 58.65 58.61 2x3x h GLN 226 Cb 1.57 0.10 -0.09 0.00 1.07 0.00 0.00 27.48 30.13 2x3x h GLN 226 CO 0.14 -0.29 0.48 0.28 -2.65 0.00 0.00 178.83 176.80 2x3x h VAL 227 N -0.45 0.80 0.22 2.39 2.07 -1.60 -0.81 116.25 118.87 2x3x h VAL 227 Ca -0.02 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 2x3x h VAL 227 Cb 0.42 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 2x3x h VAL 227 CO -0.08 0.13 -0.10 0.15 0.02 0.00 0.00 177.57 177.68 2x3x h PHE 228 N 0.73 -0.27 0.00 1.57 3.04 -1.34 0.35 116.94 121.02 2x3x h PHE 228 Ca 0.46 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.39 2x3x h PHE 228 Cb 0.57 0.09 -0.00 0.00 2.56 0.00 0.00 35.95 39.17 2x3x h PHE 228 CO -0.07 -0.02 -0.05 1.49 -2.02 0.00 0.00 178.31 177.65 2x3x h GLU 229 N -0.50 0.00 -0.19 1.11 4.57 -0.61 0.30 114.58 119.26 2x3x h GLU 229 Ca -0.03 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 2x3x h GLU 229 Cb 0.37 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 2x3x h GLU 229 CO 0.05 0.05 0.05 0.37 -1.18 0.00 0.00 179.01 178.34 2x3x h GLN 230 N 0.00 0.30 -0.61 1.92 4.15 -0.86 -1.99 115.11 118.03 2x3x h GLN 230 Ca -0.00 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.32 2x3x h GLN 230 Cb 0.11 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.73 2x3x h GLN 230 CO 0.01 0.42 0.27 0.00 -1.93 0.00 0.00 178.83 177.59 2x3x h GLN 232 N 0.86 -0.34 -0.62 0.00 1.08 -0.71 -1.21 115.11 114.18 2x3x h GLN 232 Ca 0.21 0.02 0.11 0.00 -1.45 0.00 0.00 58.65 57.55 2x3x h GLN 232 Cb 0.13 0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.60 2x3x h GLN 232 CO -0.02 -0.19 0.42 1.96 -0.95 0.00 0.00 178.83 180.04 2x3x h GLN 233 N -0.40 0.36 -0.03 1.46 4.20 -1.29 0.25 115.11 119.66 2x3x h GLN 233 Ca -0.04 -0.02 -0.18 0.00 0.06 0.00 0.00 58.65 58.47 2x3x h GLN 233 Cb 0.31 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 2x3x h GLN 233 CO 0.06 0.24 -0.77 0.35 -0.67 0.00 0.00 178.83 178.03 2x3x h PHE 234 N 0.37 0.37 0.58 2.96 3.04 -1.26 -2.87 116.94 120.12 2x3x h PHE 234 Ca 0.29 -0.18 -0.03 0.00 3.98 0.00 0.00 57.97 62.04 2x3x h PHE 234 Cb 0.65 -0.05 0.01 0.00 2.56 0.00 0.00 35.95 39.11 2x3x h PHE 234 CO -0.00 0.93 -0.28 1.49 -2.02 0.00 0.00 178.31 178.44 2x3x h GLU 235 N 0.17 -0.75 -0.99 1.11 4.57 0.17 -3.25 114.58 115.61 2x3x h GLU 235 Ca -0.03 0.05 0.10 0.00 -1.18 0.00 0.00 59.36 58.30 2x3x h GLU 235 Cb 1.35 0.17 -0.13 0.00 -0.16 0.00 0.00 28.75 29.98 2x3x h GLU 235 CO 0.12 -0.48 -0.54 -1.91 -1.18 0.00 0.00 179.01 175.02 2x3x n GLU 236 N -5.29 -0.39 -0.36 1.92 2.13 0.73 0.30 120.64 119.67 2x3x n GLU 236 Ca -0.10 1.51 0.34 0.00 0.66 0.00 0.00 57.16 59.57 2x3x n GLU 236 Cb 0.32 -2.22 0.62 0.00 0.27 0.00 0.00 31.44 30.42 2x3x n GLU 236 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2x3x n LYS 237 N -5.29 -0.05 0.13 5.31 4.81 -1.08 0.12 118.16 122.10 2x3x n LYS 237 Ca 0.04 1.35 -0.12 0.00 -0.87 0.00 0.00 58.31 58.71 2x3x n LYS 237 Cb 0.29 -2.48 -0.07 0.00 0.02 0.00 0.00 35.03 32.78 2x3x n LYS 237 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 2x3x h ARG 238 N 0.00 -0.36 -0.39 1.64 2.43 -0.18 -3.24 114.38 114.29 2x3x h ARG 238 Ca 0.86 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 60.10 2x3x h ARG 238 Cb 2.42 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 32.01 2x3x h ARG 238 CO -0.69 -0.01 0.12 -0.07 -1.51 0.00 0.00 179.97 177.82 2x3x h LEU 239 N -0.88 0.11 -1.82 3.80 3.38 0.32 0.42 115.31 120.64 2x3x h LEU 239 Ca -0.04 0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.08 2x3x h LEU 239 Cb 0.51 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 2x3x h LEU 239 CO 0.06 0.10 0.34 1.62 0.09 0.00 0.00 178.44 180.65 2x3x h VAL 240 N 0.27 0.85 0.16 1.22 3.04 -1.19 -1.76 116.25 118.84 2x3x h VAL 240 Ca 0.18 -0.07 -0.34 0.00 -1.01 0.00 0.00 66.70 65.46 2x3x h VAL 240 Cb 0.17 0.63 0.00 0.00 -2.01 0.00 0.00 31.29 30.09 2x3x h VAL 240 CO -0.20 0.04 -1.71 0.15 -1.01 0.00 0.00 177.57 174.84 2x3x h PHE 241 N 0.20 0.62 -0.11 3.17 3.04 -1.18 -3.04 116.94 119.64 2x3x h PHE 241 Ca 0.23 -0.45 -0.08 0.00 3.98 0.00 0.00 57.97 61.65 2x3x h PHE 241 Cb 0.64 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.11 2x3x h PHE 241 CO -0.00 1.59 -0.28 -0.07 -2.02 0.00 0.00 178.31 177.53 2x3x h LEU 242 N 0.09 0.21 -0.61 0.59 -0.00 -0.78 0.21 115.31 115.02 2x3x h LEU 242 Ca -0.32 -0.07 0.04 0.00 -0.00 0.00 0.00 57.88 57.54 2x3x h LEU 242 Cb 2.07 -0.06 -0.05 0.00 -0.00 0.00 0.00 40.66 42.63 2x3x h LEU 242 CO 0.17 0.50 0.35 0.50 -0.00 0.00 0.00 178.44 179.96 2x3x h LYS 243 N 0.19 0.65 -0.17 1.13 1.63 -1.40 0.28 116.57 118.88 2x3x h LYS 243 Ca 0.03 -0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 59.75 2x3x h LYS 243 Cb 0.61 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.08 2x3x h LYS 243 CO 0.04 0.43 -0.04 1.49 -3.45 0.00 0.00 179.45 177.92 2x3x h GLU 244 N 0.67 0.33 0.00 1.90 4.81 -1.26 -1.74 114.58 119.29 2x3x h GLU 244 Ca 0.26 -0.13 -0.08 0.00 -0.13 0.00 0.00 59.36 59.28 2x3x h GLU 244 Cb 0.11 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 2x3x h GLU 244 CO -0.14 0.60 -0.39 0.28 -0.73 0.00 0.00 179.01 178.63 2x3x h VAL 245 N 0.04 1.14 -0.07 0.32 2.07 -0.92 0.16 116.25 119.00 2x3x h VAL 245 Ca 0.04 -1.38 -0.06 0.00 0.82 0.00 0.00 66.70 66.12 2x3x h VAL 245 Cb 0.48 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 2x3x h VAL 245 CO 0.02 0.38 -0.20 -0.07 0.02 0.00 0.00 177.57 177.71 2x3x h LEU 246 N 0.00 0.30 -1.47 2.57 4.07 -0.87 -1.21 115.31 118.71 2x3x h LEU 246 Ca -0.00 -0.60 -0.02 0.00 0.08 0.00 0.00 57.88 57.33 2x3x h LEU 246 Cb 0.74 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 42.38 2x3x h LEU 246 CO 0.05 0.85 0.13 0.25 -1.08 0.00 0.00 178.44 178.64 2x3x h LEU 247 N -0.23 0.43 -0.16 1.67 5.85 -1.11 -0.42 115.31 121.34 2x3x h LEU 247 Ca -0.01 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 2x3x h LEU 247 Cb 0.82 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 2x3x h LEU 247 CO 0.04 0.41 0.08 0.44 -0.34 0.00 0.00 178.44 179.07 2x3x h ASP 248 N 0.48 0.21 -0.79 1.25 3.32 -0.64 -3.02 116.42 117.23 2x3x h ASP 248 Ca 0.12 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2x3x h ASP 248 Cb 0.12 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 2x3x h ASP 248 CO -0.01 0.28 0.46 0.40 -1.72 0.00 0.00 179.24 178.64 2x3x h ILE 249 N 0.14 1.23 -0.29 0.35 2.04 -0.34 -2.91 117.51 117.73 2x3x h ILE 249 Ca 0.06 -0.54 -0.04 0.00 1.00 0.00 0.00 64.86 65.34 2x3x h ILE 249 Cb 0.12 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.33 2x3x h ILE 249 CO -0.01 0.25 0.01 0.50 0.00 0.00 0.00 178.15 178.90 2x3x h LYS 250 N 1.09 0.43 -0.10 2.37 3.11 -1.09 -0.35 116.57 122.03 2x3x h LYS 250 Ca 0.28 -0.08 -0.12 0.00 -2.81 0.00 0.00 60.65 57.93 2x3x h LYS 250 Cb -0.00 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.14 2x3x h LYS 250 CO -0.05 0.45 -0.46 0.00 -2.81 0.00 0.00 179.45 176.58 2x3x h ARG 251 N 0.42 0.24 0.00 1.90 3.08 -1.39 -2.92 114.38 115.72 2x3x h ARG 251 Ca 0.09 -0.13 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 2x3x h ARG 251 Cb 0.26 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 2x3x h ARG 251 CO 0.01 0.66 -0.34 0.45 -1.07 0.00 0.00 179.97 179.68 2x3x h HIS 252 N 0.20 0.00 0.11 3.04 3.86 -0.92 -3.24 115.15 118.20 2x3x h HIS 252 Ca 0.01 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 58.94 2x3x h HIS 252 Cb 0.90 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.36 2x3x h HIS 252 CO 0.02 0.34 -1.36 -0.07 0.86 0.00 0.00 177.93 177.72 2x3x h LEU 253 N 0.00 0.36 -8.16 2.43 3.38 -1.20 -3.42 115.31 108.70 2x3x h LEU 253 Ca -0.00 -0.44 -0.41 0.00 0.09 0.00 0.00 57.88 57.12 2x3x h LEU 253 Cb 1.00 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.57 2x3x h LEU 253 CO 0.04 1.35 1.05 0.21 0.09 0.00 0.00 178.44 181.19 2x3x s ASN 254 N -7.01 5.63 0.52 -0.43 2.47 -1.11 -4.82 114.94 110.19 2x3x s ASN 254 Ca -0.06 -1.05 0.36 0.00 0.42 0.00 0.00 52.86 52.54 2x3x s ASN 254 Cb 0.07 -2.57 1.52 0.00 -1.45 0.00 0.00 41.25 38.82 2x3x s ASN 254 CO 0.86 -2.31 1.76 -0.07 -3.72 0.00 0.00 177.10 173.62 2x3x h LEU 255 N 16.04 0.07 -3.87 3.21 3.38 -1.87 -2.58 115.31 129.70 2x3x h LEU 255 Ca 0.15 0.02 -0.61 0.00 0.09 0.00 0.00 57.88 57.52 2x3x h LEU 255 Cb 1.00 0.01 -0.36 0.00 0.09 0.00 0.00 40.66 41.40 2x3x h LEU 255 CO 1.29 -0.00 0.02 0.00 0.09 0.00 0.00 178.44 179.84 2x3x n ALA 256 N -2.74 5.67 -2.26 1.53 0.00 -1.26 -4.31 120.51 117.14 2x3x n ALA 256 Ca 0.29 -3.63 -0.33 0.00 0.00 0.00 0.00 53.44 49.76 2x3x n ALA 256 Cb 1.32 -1.04 0.02 0.00 0.00 0.00 0.00 19.45 19.74 2x3x n ALA 256 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2x3x n GLU 257 N -0.82 3.21 0.00 0.00 0.28 -0.97 -4.93 120.64 117.41 2x3x n GLU 257 Ca 0.53 -4.09 0.00 0.00 -0.16 0.00 0.00 57.16 53.44 2x3x n GLU 257 Cb 0.82 -2.27 0.00 0.00 1.43 0.00 0.00 31.44 31.42 2x3x n GLU 257 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2x3x n ASN 258 N -0.48 0.00 0.00 -1.84 4.05 -1.26 -5.04 115.26 110.69 2x3x n ASN 258 Ca 0.46 0.00 0.01 0.00 0.45 0.00 0.00 54.58 55.49 2x3x n ASN 258 Cb 0.44 0.00 0.03 0.00 1.23 0.00 0.00 39.78 41.48 2x3x n ASN 258 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 2x3x n SER 259 N 0.00 0.00 -0.04 1.20 7.64 -1.26 -2.44 113.62 118.71 2x3x n SER 259 Ca 0.00 0.13 -0.08 0.00 1.01 0.00 0.00 58.87 59.93 2x3x n SER 259 Cb 0.00 -0.16 -0.02 0.00 -1.01 0.00 0.00 64.21 63.03 2x3x n SER 259 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2x3x h SER 260 N 0.00 -0.60 -0.29 6.43 0.02 -1.96 -0.41 113.55 116.74 2x3x h SER 260 Ca 0.00 0.12 -0.16 0.00 -0.84 0.00 0.00 61.79 60.91 2x3x h SER 260 Cb 0.01 0.30 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 2x3x h SER 260 CO 0.00 -0.23 -0.42 0.22 -1.14 0.00 0.00 176.83 175.26 2x3x h TYR 261 N -0.19 1.02 -0.30 3.45 -0.00 -1.69 -2.29 116.97 116.98 2x3x h TYR 261 Ca 0.13 -0.32 0.02 0.00 -0.00 0.00 0.00 58.73 58.57 2x3x h TYR 261 Cb 0.39 -0.21 -0.03 0.00 -0.00 0.00 0.00 36.73 36.88 2x3x h TYR 261 CO -0.34 1.12 0.14 0.52 -0.00 0.00 0.00 178.16 179.60 2x3x h MET 262 N 0.68 0.28 0.00 1.82 2.86 -1.71 -2.88 114.93 115.99 2x3x h MET 262 Ca 0.05 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2x3x h MET 262 Cb 1.00 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.60 2x3x h MET 262 CO 0.10 0.19 0.00 0.72 1.06 0.00 0.00 176.91 178.98 2x3x n HIS 263 N -4.97 0.71 0.19 -0.22 8.25 -0.17 -2.78 115.22 116.23 2x3x n HIS 263 Ca -0.01 0.26 -0.13 0.00 -0.26 0.00 0.00 57.72 57.58 2x3x n HIS 263 Cb 0.08 -0.92 -0.08 0.00 1.12 0.00 0.00 29.99 30.19 2x3x n HIS 263 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2x3x h VAL 264 N 0.00 0.55 0.00 1.59 2.07 -1.18 -2.75 116.25 116.53 2x3x h VAL 264 Ca 0.00 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 66.98 2x3x h VAL 264 Cb 0.42 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 2x3x h VAL 264 CO 0.00 0.09 0.00 -1.22 0.02 0.00 0.00 177.57 176.46 2x3x n TYR 265 N -5.18 0.48 -0.01 1.57 4.01 -1.21 -2.06 117.16 114.76 2x3x n TYR 265 Ca -0.10 0.15 -0.12 0.00 -0.16 0.00 0.00 57.90 57.67 2x3x n TYR 265 Cb 0.28 -0.75 -0.07 0.00 -0.31 0.00 0.00 39.34 38.49 2x3x n TYR 265 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 2x3x h ARG 266 N 0.00 0.11 0.00 -0.72 2.43 -1.49 -2.45 114.38 112.26 2x3x h ARG 266 Ca 0.00 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.02 2x3x h ARG 266 Cb 0.53 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 2x3x h ARG 266 CO 0.00 0.33 -0.56 0.93 -1.51 0.00 0.00 179.97 179.16 2x3x h GLU 267 N -0.12 0.00 -0.59 0.20 5.08 -1.14 -2.62 114.58 115.39 2x3x h GLU 267 Ca 0.02 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 2x3x h GLU 267 Cb 0.27 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 2x3x h GLU 267 CO 0.00 0.56 0.11 1.25 -1.00 0.00 0.00 179.01 179.93 2x3x h LEU 268 N 0.00 0.89 -0.77 1.33 6.46 -1.44 -1.90 115.31 119.88 2x3x h LEU 268 Ca -0.01 -0.19 -0.10 0.00 -0.12 0.00 0.00 57.88 57.46 2x3x h LEU 268 Cb 1.19 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.87 2x3x h LEU 268 CO 0.07 0.89 -0.17 -0.08 -0.62 0.00 0.00 178.44 178.53 2x3x h GLU 269 N 0.89 0.75 -0.29 1.25 4.81 -1.11 -2.71 114.58 118.17 2x3x h GLU 269 Ca 0.19 -0.27 -0.14 0.00 -0.13 0.00 0.00 59.36 59.00 2x3x h GLU 269 Cb 0.37 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 2x3x h GLU 269 CO 0.01 0.87 -0.35 1.96 -0.73 0.00 0.00 179.01 180.77 2x3x h GLN 270 N 0.67 0.76 -0.56 1.92 4.20 -1.30 -1.81 115.11 119.00 2x3x h GLN 270 Ca 0.10 -0.42 0.08 0.00 0.06 0.00 0.00 58.65 58.47 2x3x h GLN 270 Cb 0.66 0.03 -0.07 0.00 0.30 0.00 0.00 27.48 28.40 2x3x h GLN 270 CO 0.05 1.05 0.20 0.00 -0.67 0.00 0.00 178.83 179.45 2x3x h ALA 271 N 0.70 0.69 -0.07 3.87 0.00 -1.30 -0.72 119.26 122.44 2x3x h ALA 271 Ca 0.04 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2x3x h ALA 271 Cb 0.94 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 2x3x h ALA 271 CO 0.08 -0.21 -0.10 0.82 0.00 0.00 0.00 179.25 179.84 2x3x h ILE 272 N 0.37 1.40 -0.90 0.00 2.04 -1.43 -3.20 117.51 115.79 2x3x h ILE 272 Ca 0.27 -1.36 0.02 0.00 1.00 0.00 0.00 64.86 64.79 2x3x h ILE 272 Cb 0.32 2.15 -0.05 0.00 -0.74 0.00 0.00 36.82 38.51 2x3x h ILE 272 CO -0.28 0.38 0.60 0.03 0.00 0.00 0.00 178.15 178.87 2x3x h ARG 273 N -0.29 1.16 0.00 2.37 2.47 -1.16 -1.65 114.38 117.29 2x3x h ARG 273 Ca 0.01 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.66 2x3x h ARG 273 Cb 0.66 -0.26 0.00 0.00 -1.65 0.00 0.00 29.97 28.72 2x3x h ARG 273 CO 0.02 0.77 0.00 0.41 0.56 0.00 0.00 179.97 181.73 2x3x n GLY 274 N -1.40 -0.74 3.80 0.04 0.00 -0.29 -4.76 105.19 101.84 2x3x n GLY 274 Ca 0.11 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 2x3x n GLY 274 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x3x s ALA 275 N -2.00 2.80 -0.18 4.61 0.00 -0.62 -5.01 121.76 121.36 2x3x s ALA 275 Ca 0.32 0.57 -0.05 0.00 0.00 0.00 0.00 51.96 52.80 2x3x s ALA 275 Cb 0.15 -3.26 0.09 0.00 0.00 0.00 0.00 23.12 20.09 2x3x s ALA 275 CO 0.24 -0.54 0.31 0.34 0.00 0.00 0.00 175.76 176.12 2x3x s ASP 276 N -2.21 0.36 0.27 0.00 2.15 -1.26 -5.02 116.67 110.97 2x3x s ASP 276 Ca 0.67 0.48 0.00 0.00 0.43 0.00 0.00 52.55 54.13 2x3x s ASP 276 Cb -0.17 0.87 0.39 0.00 -0.30 0.00 0.00 42.92 43.70 2x3x s ASP 276 CO 0.26 -0.26 1.75 0.00 -0.17 0.00 0.00 175.17 176.75 2x3x h ALA 277 N 8.25 1.12 -0.06 3.66 0.00 -2.00 -2.75 119.26 127.48 2x3x h ALA 277 Ca -0.16 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 2x3x h ALA 277 Cb 1.13 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 2x3x h ALA 277 CO 0.18 0.55 0.02 1.96 0.00 0.00 0.00 179.25 181.96 2x3x h GLN 278 N 0.58 0.09 -0.57 0.00 1.08 -1.99 -1.41 115.11 112.90 2x3x h GLN 278 Ca 0.10 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 2x3x h GLN 278 Cb 0.54 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.93 2x3x h GLN 278 CO 0.03 0.23 0.36 1.49 -0.95 0.00 0.00 178.83 180.00 2x3x h GLU 279 N -0.07 0.75 0.20 1.46 4.81 -1.96 0.68 114.58 120.45 2x3x h GLU 279 Ca 0.02 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2x3x h GLU 279 Cb 0.18 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.39 2x3x h GLU 279 CO -0.00 0.51 -0.10 -0.44 -0.73 0.00 0.00 179.01 178.26 2x3x h ASP 280 N 0.77 -0.23 -0.64 1.04 3.45 -1.48 -1.97 116.42 117.37 2x3x h ASP 280 Ca 0.21 -0.04 0.09 0.00 0.43 0.00 0.00 57.03 57.71 2x3x h ASP 280 Cb -0.07 0.06 -0.07 0.00 -0.56 0.00 0.00 39.33 38.69 2x3x h ASP 280 CO -0.04 -0.10 0.27 -0.07 -1.57 0.00 0.00 179.24 177.72 2x3x h LEU 281 N -0.33 0.30 -1.01 1.55 4.07 -0.84 0.15 115.31 119.20 2x3x h LEU 281 Ca -0.03 0.07 -0.04 0.00 0.08 0.00 0.00 57.88 57.97 2x3x h LEU 281 Cb 0.26 0.03 -0.03 0.00 1.08 0.00 0.00 40.66 42.00 2x3x h LEU 281 CO 0.04 0.18 0.27 0.03 -1.08 0.00 0.00 178.44 177.88 2x3x h ARG 282 N 0.47 0.98 -0.18 1.13 3.08 -0.80 -2.28 114.38 116.79 2x3x h ARG 282 Ca 0.32 -0.16 -0.06 0.00 0.07 0.00 0.00 59.98 60.15 2x3x h ARG 282 Cb 0.37 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 2x3x h ARG 282 CO -0.29 0.80 -0.13 2.35 -1.07 0.00 0.00 179.97 181.63 2x3x h TRP 283 N 0.96 0.47 -0.95 3.04 7.01 -0.34 -2.65 115.95 123.49 2x3x h TRP 283 Ca 0.23 -0.13 0.04 0.00 2.11 0.00 0.00 58.89 61.14 2x3x h TRP 283 Cb 0.18 -0.10 -0.06 0.00 -2.10 0.00 0.00 29.16 27.08 2x3x h TRP 283 CO 0.01 0.74 0.62 0.35 -2.79 0.00 0.00 178.44 177.37 2x3x h PHE 284 N 0.06 1.15 -0.54 2.65 3.04 -0.98 -0.34 116.94 121.99 2x3x h PHE 284 Ca 0.03 0.03 0.07 0.00 3.98 0.00 0.00 57.97 62.09 2x3x h PHE 284 Cb 0.64 -0.38 -0.06 0.00 2.56 0.00 0.00 35.95 38.70 2x3x h PHE 284 CO 0.07 0.65 0.21 -0.09 -2.02 0.00 0.00 178.31 177.13 2x3x h ARG 285 N 1.18 0.38 0.00 1.11 2.43 -1.26 0.24 114.38 118.47 2x3x h ARG 285 Ca 0.38 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.46 2x3x h ARG 285 Cb 0.03 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 2x3x h ARG 285 CO -0.13 0.25 -0.89 0.66 -1.51 0.00 0.00 179.97 178.35 2x3x h SER 286 N 0.39 0.00 0.46 -3.80 4.64 -1.10 -0.14 113.55 114.00 2x3x h SER 286 Ca 0.26 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.35 2x3x h SER 286 Cb 0.28 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.33 2x3x h SER 286 CO -0.25 0.26 -1.72 0.35 -0.87 0.00 0.00 176.83 174.59 2x3x n THR 287 N -2.89 1.27 0.00 2.95 -2.24 -0.17 -3.55 114.28 109.64 2x3x n THR 287 Ca -0.02 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 2x3x n THR 287 Cb 0.66 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 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 -2.86 1.99 0.00 3.42 2.88 0.80 -4.97 113.62 114.87 2x3x n SER 288 Ca -0.16 -0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.35 2x3x n SER 288 Cb 0.94 0.46 0.00 0.00 -0.75 0.00 0.00 64.21 64.86 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 1.06 4.07 0.02 0.46 0.00 -0.45 -4.96 105.19 105.39 2x3x n GLY 289 Ca 0.00 -1.83 0.11 0.00 0.00 0.00 0.00 46.02 44.30 2x3x n GLY 289 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2x3x n PRO 290 N 0.00 0.05 0.29 1.61 -0.04 -1.14 -1.80 135.00 133.97 2x3x n PRO 290 Ca 0.00 0.16 0.19 0.00 -0.04 0.00 0.00 63.50 63.81 2x3x n PRO 290 Cb 0.00 -1.57 0.81 0.00 -0.04 0.00 0.00 33.50 32.70 2x3x n PRO 290 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2x3x h GLY 291 N 3.71 0.00 -1.49 0.55 0.00 -1.38 -3.45 103.07 101.00 2x3x h GLY 291 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.82 2x3x h GLY 291 CO 0.00 0.00 -0.16 1.03 0.00 0.00 0.00 176.54 177.41 2x3x n MET 292 N -3.08 -0.73 -2.24 4.80 2.81 -0.74 -4.74 117.12 113.19 2x3x n MET 292 Ca -0.00 -0.16 -0.25 0.00 -1.81 0.00 0.00 57.70 55.47 2x3x n MET 292 Cb 0.25 -2.13 0.07 0.00 -0.71 0.00 0.00 33.22 30.69 2x3x n MET 292 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 2x3x s PRO 293 N -4.20 2.24 -0.26 0.03 0.04 -1.26 -5.07 135.00 126.52 2x3x s PRO 293 Ca 0.63 -0.30 -0.13 0.00 0.04 0.00 0.00 61.00 61.24 2x3x s PRO 293 Cb -0.22 -2.20 0.09 0.00 0.04 0.00 0.00 34.50 32.21 2x3x s PRO 293 CO 0.63 -1.19 0.62 1.41 0.04 0.00 0.00 177.00 178.51 2x3x s MET 294 N -5.20 0.60 -1.15 4.56 1.75 -1.26 -5.08 119.30 113.52 2x3x s MET 294 Ca 0.60 1.20 -0.21 0.00 -1.25 0.00 0.00 55.69 56.03 2x3x s MET 294 Cb -0.11 0.29 0.04 0.00 2.84 0.00 0.00 34.83 37.90 2x3x s MET 294 CO 0.44 -0.17 1.65 -0.80 -0.65 0.00 0.00 175.02 175.49 2x3x s ASN 295 N 1.95 6.46 0.68 1.11 -0.87 -1.26 -4.98 114.94 118.04 2x3x s ASN 295 Ca -0.08 -1.87 -0.17 0.00 -1.57 0.00 0.00 52.86 49.17 2x3x s ASN 295 Cb -0.08 -2.58 0.01 0.00 -0.02 0.00 0.00 41.25 38.59 2x3x s ASN 295 CO -0.18 -1.54 1.24 0.26 -2.57 0.00 0.00 177.10 174.30 2x3x s TRP 296 N 5.39 2.11 0.63 2.20 0.52 -1.26 -4.93 118.94 123.60 2x3x s TRP 296 Ca 0.53 1.55 -0.17 0.00 0.02 0.00 0.00 56.10 58.02 2x3x s TRP 296 Cb 0.01 -3.55 -0.15 0.00 -1.15 0.00 0.00 33.47 28.63 2x3x s TRP 296 CO 0.00 -2.66 -0.31 -2.30 0.02 0.00 0.00 176.95 171.71 2x3x n PRO 297 N -2.25 0.00 -3.69 4.98 -0.02 -1.26 -5.03 135.00 127.72 2x3x n PRO 297 Ca 0.14 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.59 2x3x n PRO 297 Cb 0.49 -0.98 -0.01 0.00 -0.02 0.00 0.00 33.50 32.98 2x3x n PRO 297 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 2x3x s GLN 298 N -1.26 1.02 -0.09 -0.52 -2.07 -1.26 -5.11 119.66 110.37 2x3x s GLN 298 Ca 0.51 -0.54 -0.29 0.00 -1.82 0.00 0.00 55.36 53.22 2x3x s GLN 298 Cb -0.40 0.37 -0.06 0.00 -1.09 0.00 0.00 33.01 31.83 2x3x s GLN 298 CO 0.69 -0.46 1.92 0.12 -1.32 0.00 0.00 175.29 176.24 2x3x s PHE 299 N -3.14 1.51 -0.32 9.60 5.36 -1.26 -4.96 117.98 124.76 2x3x s PHE 299 Ca 0.11 0.07 -0.16 0.00 -0.96 0.00 0.00 56.93 55.99 2x3x s PHE 299 Cb -0.01 -4.07 -0.02 0.00 -0.34 0.00 0.00 43.02 38.59 2x3x s PHE 299 CO -0.01 -4.45 0.43 -1.21 -1.46 0.00 0.00 175.22 168.53 2x3x s GLU 300 N 4.92 3.72 0.25 10.12 2.02 -1.26 -5.07 118.70 133.40 2x3x s GLU 300 Ca 0.86 -0.17 -0.16 0.00 0.02 0.00 0.00 54.97 55.51 2x3x s GLU 300 Cb -0.35 -3.76 -0.08 0.00 0.10 0.00 0.00 34.13 30.03 2x3x s GLU 300 CO 0.36 -0.50 0.70 -1.21 0.02 0.00 0.00 175.26 174.62 2x3x s GLU 301 N 2.19 4.09 0.41 1.61 2.02 -1.26 -5.00 118.70 122.75 2x3x s GLU 301 Ca 0.16 0.70 -0.26 0.00 0.02 0.00 0.00 54.97 55.59 2x3x s GLU 301 Cb -0.16 -2.69 -0.10 0.00 0.10 0.00 0.00 34.13 31.28 2x3x s GLU 301 CO 0.12 0.30 1.32 1.87 0.02 0.00 0.00 175.26 178.89 2x3x n TRP 302 N 0.23 2.35 -3.86 1.61 -0.00 -1.26 -5.01 117.44 111.49 2x3x n TRP 302 Ca -0.00 0.49 -0.37 0.00 -0.00 0.00 0.00 57.50 57.63 2x3x n TRP 302 Cb 0.52 -2.41 -0.06 0.00 -0.00 0.00 0.00 31.31 29.36 2x3x n TRP 302 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 2x3x s ASN 303 N -0.43 6.41 0.00 5.87 3.84 -1.26 -5.35 114.94 124.02 2x3x s ASN 303 Ca 0.59 0.49 0.29 0.00 0.21 0.00 0.00 52.86 54.44 2x3x s ASN 303 Cb -0.51 -2.08 1.31 0.00 -0.55 0.00 0.00 41.25 39.43 2x3x s ASN 303 CO 0.59 0.39 1.89 -0.81 -2.79 0.00 0.00 177.10 176.38