#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kal n PRO 26 N 0.00 0.00 -1.97 0.00 -0.01 -1.26 -4.89 135.00 126.87 3kal n PRO 26 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 63.50 63.16 3kal n PRO 26 Cb 0.00 -1.17 0.02 0.00 -0.01 0.00 0.00 33.50 32.34 3kal n PRO 26 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 175.50 174.24 3kal s PRO 27 N 1.44 3.18 0.47 0.52 0.04 -1.26 -5.00 135.00 134.38 3kal s PRO 27 Ca 0.78 1.25 -0.11 0.00 0.04 0.00 0.00 61.00 62.96 3kal s PRO 27 Cb -1.10 -2.01 -0.06 0.00 0.04 0.00 0.00 34.50 31.37 3kal s PRO 27 CO 0.56 -0.92 0.84 -0.51 0.04 0.00 0.00 177.00 177.01 3kal s LEU 28 N -4.60 3.68 -0.02 -3.56 1.02 -1.26 -4.96 118.68 108.97 3kal s LEU 28 Ca 0.64 1.21 -0.40 0.00 0.02 0.00 0.00 54.13 55.61 3kal s LEU 28 Cb -0.17 -4.14 -0.19 0.00 0.02 0.00 0.00 46.19 41.71 3kal s LEU 28 CO 0.38 -0.52 1.17 0.33 0.02 0.00 0.00 176.35 177.72 3kal n PHE 29 N -1.70 0.90 -2.30 0.29 7.35 -1.26 -4.85 117.46 115.88 3kal n PHE 29 Ca 0.03 0.98 -0.42 0.00 -0.76 0.00 0.00 57.45 57.28 3kal n PHE 29 Cb 0.54 -2.15 -0.03 0.00 0.35 0.00 0.00 39.48 38.20 3kal n PHE 29 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3kal s ASP 30 N 0.35 6.09 0.00 -2.13 -1.08 -1.26 -4.86 116.67 113.78 3kal s ASP 30 Ca 0.91 0.58 0.14 0.00 -0.52 0.00 0.00 52.55 53.66 3kal s ASP 30 Cb -1.22 -2.54 0.74 0.00 -1.46 0.00 0.00 42.92 38.44 3kal s ASP 30 CO 0.57 -1.68 1.31 -1.22 0.52 0.00 0.00 175.17 174.67 3kal n TYR 31 N 9.70 0.00 1.20 -5.34 0.53 -1.26 -0.66 117.16 121.32 3kal n TYR 31 Ca 0.16 0.00 0.13 0.00 -1.02 0.00 0.00 57.90 57.17 3kal n TYR 31 Cb 0.49 -0.16 0.50 0.00 -1.03 0.00 0.00 39.34 39.14 3kal n TYR 31 CO 0.00 0.00 0.00 0.72 -1.02 0.00 0.00 176.86 176.56 3kal n HIS 32 N -1.16 0.00 -0.42 -0.72 8.25 -1.26 -4.11 115.22 115.79 3kal n HIS 32 Ca 0.08 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.62 3kal n HIS 32 Cb 0.08 -0.27 0.25 0.00 1.12 0.00 0.00 29.99 31.17 3kal n HIS 32 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3kal n ARG 33 N -1.20 3.04 -2.38 -0.41 5.12 0.17 -4.97 116.66 116.02 3kal n ARG 33 Ca 0.10 -2.47 -0.40 0.00 -1.93 0.00 0.00 57.85 53.15 3kal n ARG 33 Cb 0.31 -1.54 -0.04 0.00 -1.16 0.00 0.00 32.46 30.03 3kal n ARG 33 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3kal s ILE 34 N -1.42 3.31 0.45 0.55 1.01 -1.26 -4.99 121.20 118.85 3kal s ILE 34 Ca 0.37 1.30 -0.22 0.00 0.00 0.00 0.00 60.65 62.11 3kal s ILE 34 Cb 0.22 -3.83 -0.11 0.00 0.01 0.00 0.00 42.46 38.75 3kal s ILE 34 CO 0.21 0.31 0.70 0.47 0.00 0.00 0.00 174.94 176.62 3kal n ASP 35 N 1.17 -0.20 -0.33 3.58 8.00 -1.26 -4.74 116.55 122.77 3kal n ASP 35 Ca -0.01 0.91 -0.02 0.00 0.71 0.00 0.00 54.79 56.39 3kal n ASP 35 Cb 0.44 -1.21 0.11 0.00 -0.02 0.00 0.00 41.12 40.45 3kal n ASP 35 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 3kal h GLN 36 N 0.90 1.12 -0.07 -1.24 5.75 -1.99 -0.68 115.11 118.90 3kal h GLN 36 Ca -0.43 -0.07 -0.10 0.00 -0.15 0.00 0.00 58.65 57.91 3kal h GLN 36 Cb 1.38 -0.25 0.00 0.00 1.07 0.00 0.00 27.48 29.68 3kal h GLN 36 CO 0.52 0.74 -0.34 -0.22 -2.65 0.00 0.00 178.83 176.88 3kal h LYS 37 N 1.15 0.36 -0.53 1.69 3.11 -2.00 -1.12 116.57 119.24 3kal h LYS 37 Ca 0.35 -0.29 0.10 0.00 -2.81 0.00 0.00 60.65 58.00 3kal h LYS 37 Cb -0.03 0.06 -0.08 0.00 -1.00 0.00 0.00 32.23 31.18 3kal h LYS 37 CO -0.11 0.93 0.03 1.25 -2.81 0.00 0.00 179.45 178.74 3kal h LEU 38 N -0.12 -0.17 -0.74 5.20 5.85 -1.91 -2.66 115.31 120.76 3kal h LEU 38 Ca -0.02 0.12 -0.10 0.00 0.84 0.00 0.00 57.88 58.72 3kal h LEU 38 Cb 0.99 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 3kal h LEU 38 CO 0.07 -0.06 -0.10 0.25 -0.34 0.00 0.00 178.44 178.27 3kal h LEU 39 N 0.14 0.86 -1.21 2.25 5.85 -0.86 -1.64 115.31 120.70 3kal h LEU 39 Ca 0.27 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 3kal h LEU 39 Cb 0.41 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3kal h LEU 39 CO -0.42 0.97 0.11 1.56 -0.34 0.00 0.00 178.44 180.33 3kal h GLN 40 N 0.78 0.66 -0.41 1.25 4.20 -1.09 -1.01 115.11 119.50 3kal h GLN 40 Ca 0.13 -0.12 -0.06 0.00 0.06 0.00 0.00 58.65 58.66 3kal h GLN 40 Cb 0.60 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 3kal h GLN 40 CO 0.04 0.60 0.02 -0.91 -0.67 0.00 0.00 178.83 177.91 3kal h ASN 41 N 0.65 0.69 -0.23 1.46 2.35 -1.08 -0.68 115.58 118.74 3kal h ASN 41 Ca 0.15 -0.30 -0.02 0.00 -0.55 0.00 0.00 56.30 55.58 3kal h ASN 41 Cb 0.24 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 3kal h ASN 41 CO -0.00 0.81 0.05 0.40 -1.65 0.00 0.00 177.43 177.04 3kal h ILE 42 N 0.54 1.22 -0.21 2.81 2.04 -0.90 -1.45 117.51 121.56 3kal h ILE 42 Ca 0.12 -0.72 0.02 0.00 1.00 0.00 0.00 64.86 65.28 3kal h ILE 42 Cb 0.45 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 3kal h ILE 42 CO 0.02 0.23 0.06 0.58 0.00 0.00 0.00 178.15 179.03 3kal h VAL 43 N 0.19 0.93 -0.17 1.67 2.07 -1.16 -1.34 116.25 118.44 3kal h VAL 43 Ca 0.07 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.56 3kal h VAL 43 Cb 0.30 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3kal h VAL 43 CO 0.00 0.03 0.04 0.22 0.02 0.00 0.00 177.57 177.88 3kal h TYR 44 N 0.15 0.07 -0.99 1.57 3.20 -1.01 -1.48 116.97 118.48 3kal h TYR 44 Ca 0.09 0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.08 3kal h TYR 44 Cb 0.07 -0.01 -0.08 0.00 1.54 0.00 0.00 36.73 38.25 3kal h TYR 44 CO -0.13 0.03 0.63 -0.44 -1.64 0.00 0.00 178.16 176.61 3kal h ASP 45 N 0.12 0.93 -0.40 -2.11 3.32 -1.18 -1.20 116.42 115.90 3kal h ASP 45 Ca 0.07 0.04 -0.11 0.00 0.02 0.00 0.00 57.03 57.06 3kal h ASP 45 Cb 0.06 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3kal h ASP 45 CO -0.09 0.51 -0.17 0.00 -1.72 0.00 0.00 179.24 177.76 3kal h ALA 46 N 1.53 0.56 -0.53 3.45 0.00 -0.71 -0.80 119.26 122.76 3kal h ALA 46 Ca 0.48 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 3kal h ALA 46 Cb 0.45 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3kal h ALA 46 CO -0.25 0.50 -0.13 -0.07 0.00 0.00 0.00 179.25 179.30 3kal h LEU 47 N 0.63 1.04 0.05 0.00 3.38 -0.71 -0.89 115.31 118.81 3kal h LEU 47 Ca 0.09 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 3kal h LEU 47 Cb 0.73 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3kal h LEU 47 CO 0.05 1.16 -0.02 0.58 0.09 0.00 0.00 178.44 180.30 3kal h VAL 48 N 0.91 1.23 -0.33 1.22 2.07 -1.15 -2.60 116.25 117.60 3kal h VAL 48 Ca 0.13 -0.98 0.06 0.00 0.82 0.00 0.00 66.70 66.74 3kal h VAL 48 Cb 0.71 1.87 -0.06 0.00 -1.52 0.00 0.00 31.29 32.29 3kal h VAL 48 CO 0.05 0.24 -0.05 -0.25 0.02 0.00 0.00 177.57 177.59 3kal h TRP 49 N -0.51 -0.11 -0.96 1.57 7.01 -1.05 -1.72 115.95 120.18 3kal h TRP 49 Ca -0.01 0.03 0.16 0.00 2.11 0.00 0.00 58.89 61.19 3kal h TRP 49 Cb 0.45 0.10 -0.10 0.00 -2.10 0.00 0.00 29.16 27.52 3kal h TRP 49 CO 0.07 -0.11 0.56 0.77 -2.79 0.00 0.00 178.44 176.94 3kal h SER 50 N 0.04 0.74 0.08 2.65 0.02 -1.15 -2.07 113.55 113.85 3kal h SER 50 Ca 0.16 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.19 3kal h SER 50 Cb 0.24 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.73 3kal h SER 50 CO -0.32 0.30 -0.04 0.74 -1.14 0.00 0.00 176.83 176.37 3kal h THR 51 N 0.77 1.18 -0.18 -2.27 2.02 -0.94 0.42 112.91 113.91 3kal h THR 51 Ca 0.53 -1.20 0.03 0.00 0.77 0.00 0.00 66.41 66.54 3kal h THR 51 Cb 0.75 1.93 -0.01 0.00 -1.74 0.00 0.00 68.15 69.08 3kal h THR 51 CO -0.36 0.28 0.12 -0.07 0.37 0.00 0.00 175.52 175.87 3kal h LEU 52 N -0.68 0.09 -2.77 2.58 3.38 -1.18 -3.00 115.31 113.73 3kal h LEU 52 Ca -0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3kal h LEU 52 Cb 0.55 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3kal h LEU 52 CO 0.02 0.06 0.00 0.59 0.09 0.00 0.00 178.44 179.20 3kal n ASN 53 N -4.50 2.26 -2.83 -0.43 3.02 -0.79 -4.98 115.26 107.00 3kal n ASN 53 Ca 0.01 -1.91 -0.18 0.00 -0.03 0.00 0.00 54.58 52.47 3kal n ASN 53 Cb 0.19 -0.08 0.06 0.00 -0.61 0.00 0.00 39.78 39.34 3kal n ASN 53 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kal n LEU 55 N -3.86 6.22 -3.96 0.00 7.94 0.14 -4.92 117.00 118.55 3kal n LEU 55 Ca -0.01 -3.59 -0.11 0.00 -1.11 0.00 0.00 56.01 51.19 3kal n LEU 55 Cb 0.55 -1.36 -0.12 0.00 0.53 0.00 0.00 43.42 43.02 3kal n LEU 55 CO 0.49 0.89 -0.37 -0.76 -1.11 0.00 0.00 177.39 176.53 3kal s LEU 56 N 0.91 2.17 0.23 -1.96 1.43 -1.26 -2.06 118.68 118.14 3kal s LEU 56 Ca 0.53 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 53.28 3kal s LEU 56 Cb 0.14 0.02 -0.05 0.00 0.03 0.00 0.00 46.19 46.33 3kal s LEU 56 CO -0.02 -0.20 0.07 0.68 0.23 0.00 0.00 176.35 177.12 3kal s VAL 57 N -1.04 0.55 0.32 -1.59 -7.23 0.07 -4.82 120.40 106.67 3kal s VAL 57 Ca -0.10 -1.99 -0.29 0.00 -1.81 0.00 0.00 61.98 57.78 3kal s VAL 57 Cb -0.07 -2.49 -0.11 0.00 0.56 0.00 0.00 36.38 34.27 3kal s VAL 57 CO -0.01 -0.12 1.44 -0.83 -0.31 0.00 0.00 175.10 175.27 3kal s GLY 58 N -3.27 2.71 -0.12 2.32 0.00 -0.28 -1.93 107.32 106.76 3kal s GLY 58 Ca 0.34 1.43 -0.30 0.00 0.00 0.00 0.00 44.72 46.20 3kal s GLY 58 CO 0.11 2.20 1.09 -0.35 0.00 0.00 0.00 173.10 176.16 3kal s ASP 59 N -0.05 7.13 0.61 1.64 -1.08 0.20 -4.80 116.67 120.32 3kal s ASP 59 Ca 0.54 1.61 0.29 0.00 -0.52 0.00 0.00 52.55 54.47 3kal s ASP 59 Cb -0.44 -2.55 1.53 0.00 -1.46 0.00 0.00 42.92 40.00 3kal s ASP 59 CO 0.54 -0.55 1.93 0.07 0.52 0.00 0.00 175.17 177.67 3kal h LYS 60 N 7.37 0.00 -0.00 4.34 2.10 -1.94 -0.32 116.57 128.12 3kal h LYS 60 Ca -0.30 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.35 3kal h LYS 60 Cb 1.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 3kal h LYS 60 CO 0.89 0.00 -0.01 -1.13 -2.00 0.00 0.00 179.45 177.20 3kal n SER 61 N -3.54 0.04 -4.23 7.07 3.41 -1.26 -4.66 113.62 110.45 3kal n SER 61 Ca 0.05 -0.22 -0.35 0.00 -0.26 0.00 0.00 58.87 58.09 3kal n SER 61 Cb 0.56 -0.25 -0.14 0.00 -0.26 0.00 0.00 64.21 64.12 3kal n SER 61 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3kal s VAL 62 N -2.54 3.16 0.24 -3.33 1.01 -0.13 -5.02 120.40 113.80 3kal s VAL 62 Ca 0.30 -1.04 -0.05 0.00 0.00 0.00 0.00 61.98 61.18 3kal s VAL 62 Cb 0.20 -2.67 0.20 0.00 0.00 0.00 0.00 36.38 34.11 3kal s VAL 62 CO 0.46 0.09 1.78 0.06 0.00 0.00 0.00 175.10 177.48 3kal h GLN 63 N 8.06 0.61 -0.17 2.72 -0.00 -1.83 -2.69 115.11 121.81 3kal h GLN 63 Ca -0.29 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.32 3kal h GLN 63 Cb 1.10 -0.14 0.00 0.00 -0.00 0.00 0.00 27.48 28.44 3kal h GLN 63 CO 0.57 0.40 0.00 2.89 -0.00 0.00 0.00 178.83 182.69 3kal n ARG 64 N -4.86 1.56 0.00 0.06 1.85 -1.26 -4.42 116.66 109.59 3kal n ARG 64 Ca 0.13 -0.85 0.12 0.00 -1.00 0.00 0.00 57.85 56.25 3kal n ARG 64 Cb 0.32 -1.31 0.53 0.00 -1.05 0.00 0.00 32.46 30.96 3kal n ARG 64 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 3kal n SER 65 N 0.11 0.00 -1.01 2.89 3.41 -1.01 -0.61 113.62 117.40 3kal n SER 65 Ca 0.13 0.45 0.11 0.00 -0.26 0.00 0.00 58.87 59.30 3kal n SER 65 Cb 0.24 -0.48 0.17 0.00 -0.26 0.00 0.00 64.21 63.88 3kal n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kal n GLY 66 N 1.01 1.45 0.20 5.00 0.00 -1.26 -4.16 105.19 107.43 3kal n GLY 66 Ca 0.06 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.42 3kal n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kal n ARG 67 N 1.32 0.00 -3.71 1.61 1.74 -0.66 -0.85 116.66 116.11 3kal n ARG 67 Ca 0.16 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.86 3kal n ARG 67 Cb 0.56 -0.83 -0.11 0.00 -1.02 0.00 0.00 32.46 31.06 3kal n ARG 67 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3kal s VAL 68 N -1.86 3.78 0.73 1.55 1.01 0.22 -5.08 120.40 120.76 3kal s VAL 68 Ca 0.00 -1.47 -0.14 0.00 0.00 0.00 0.00 61.98 60.36 3kal s VAL 68 Cb 0.00 -3.31 0.04 0.00 0.00 0.00 0.00 36.38 33.11 3kal s VAL 68 CO 0.00 -0.42 1.18 -2.84 0.00 0.00 0.00 175.10 173.02 3kal s PRO 69 N 1.34 2.18 0.00 2.72 0.02 -1.26 -3.96 135.00 136.03 3kal s PRO 69 Ca 0.02 1.64 0.00 0.00 0.02 0.00 0.00 61.00 62.68 3kal s PRO 69 Cb -0.22 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.45 3kal s PRO 69 CO 0.01 -1.78 0.00 0.41 -0.33 0.00 0.00 177.00 175.31 3kal n GLY 70 N 0.12 0.58 3.11 0.52 0.00 -1.26 -5.02 105.19 103.24 3kal n GLY 70 Ca 0.12 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.97 3kal n GLY 70 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kal s VAL 71 N -2.22 0.88 -1.34 1.61 -7.23 -1.25 -4.85 120.40 105.99 3kal s VAL 71 Ca 0.00 -0.99 -0.02 0.00 -1.81 0.00 0.00 61.98 59.16 3kal s VAL 71 Cb 0.00 -0.84 0.01 0.00 0.56 0.00 0.00 36.38 36.12 3kal s VAL 71 CO 0.00 -0.13 0.72 0.61 -0.31 0.00 0.00 175.10 175.99 3kal n GLY 72 N 1.78 -0.31 3.82 2.32 0.00 -1.26 -4.62 105.19 106.92 3kal n GLY 72 Ca -0.19 0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 3kal n GLY 72 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kal s LEU 73 N -6.78 4.24 -0.05 0.99 1.43 -1.26 0.60 118.68 117.86 3kal s LEU 73 Ca 0.09 1.46 -0.09 0.00 -1.03 0.00 0.00 54.13 54.56 3kal s LEU 73 Cb -0.05 -3.84 0.02 0.00 0.03 0.00 0.00 46.19 42.35 3kal s LEU 73 CO 0.82 -0.07 0.21 0.54 0.23 0.00 0.00 176.35 178.08 3kal s VAL 74 N -1.70 0.03 0.72 -1.59 0.11 -0.81 -4.78 120.40 112.38 3kal s VAL 74 Ca 0.48 -0.27 -0.14 0.00 -2.93 0.00 0.00 61.98 59.12 3kal s VAL 74 Cb -0.15 -0.40 0.04 0.00 -1.53 0.00 0.00 36.38 34.34 3kal s VAL 74 CO 0.20 -0.15 1.16 -1.38 -3.33 0.00 0.00 175.10 171.60 3kal s HIS 75 N -0.54 2.23 0.28 1.54 -3.43 -1.26 -0.75 115.29 113.36 3kal s HIS 75 Ca -0.06 1.60 -0.30 0.00 -0.80 0.00 0.00 55.06 55.49 3kal s HIS 75 Cb -0.04 -3.34 -0.12 0.00 -1.43 0.00 0.00 32.58 27.65 3kal s HIS 75 CO 0.01 -2.28 1.56 1.28 -2.00 0.00 0.00 174.74 173.31 3kal n LEU 76 N -2.79 4.09 -4.69 5.38 7.99 -0.88 -4.69 117.00 121.41 3kal n LEU 76 Ca 0.12 1.15 -0.44 0.00 -0.01 0.00 0.00 56.01 56.83 3kal n LEU 76 Cb 0.51 -1.56 -0.03 0.00 -0.11 0.00 0.00 43.42 42.23 3kal n LEU 76 CO 0.48 0.01 1.41 -2.65 -1.51 0.00 0.00 177.39 175.14 3kal n PRO 77 N 2.13 2.62 -4.14 3.23 -0.02 -1.26 -4.89 135.00 132.67 3kal n PRO 77 Ca 0.09 0.95 -0.09 0.00 -2.02 0.00 0.00 63.50 62.43 3kal n PRO 77 Cb 0.36 -2.81 -0.10 0.00 -0.02 0.00 0.00 33.50 30.92 3kal n PRO 77 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 3kal s LEU 78 N 2.32 2.36 -0.24 2.45 0.05 -0.70 -0.76 118.68 124.16 3kal s LEU 78 Ca 0.81 -1.05 -0.13 0.00 0.05 0.00 0.00 54.13 53.82 3kal s LEU 78 Cb -0.54 0.10 -0.05 0.00 -2.05 0.00 0.00 46.19 43.65 3kal s LEU 78 CO 0.38 -0.57 0.25 -0.55 -0.55 0.00 0.00 176.35 175.31 3kal s SER 79 N -3.00 6.20 0.37 1.48 0.15 -0.20 0.07 113.70 118.76 3kal s SER 79 Ca 0.13 0.22 0.05 0.00 0.70 0.00 0.00 55.95 57.05 3kal s SER 79 Cb 0.07 -2.15 0.71 0.00 -1.71 0.00 0.00 66.02 62.94 3kal s SER 79 CO -0.05 -0.02 1.97 0.25 1.20 0.00 0.00 173.24 176.58 3kal h LEU 80 N 7.82 0.51 -7.63 3.45 5.85 -1.59 -3.45 115.31 120.28 3kal h LEU 80 Ca -0.36 -0.05 -0.18 0.00 0.84 0.00 0.00 57.88 58.12 3kal h LEU 80 Cb 1.17 -0.13 -0.25 0.00 0.37 0.00 0.00 40.66 41.82 3kal h LEU 80 CO 0.65 0.47 -0.55 -0.76 -0.34 0.00 0.00 178.44 177.92 3kal s LEU 81 N -9.32 1.50 0.59 2.25 1.43 -1.26 -4.90 118.68 108.98 3kal s LEU 81 Ca -0.08 0.17 -0.16 0.00 -1.03 0.00 0.00 54.13 53.02 3kal s LEU 81 Cb 0.16 0.51 -0.03 0.00 0.03 0.00 0.00 46.19 46.86 3kal s LEU 81 CO 0.75 -0.12 1.07 -2.16 0.23 0.00 0.00 176.35 176.12 3kal s PRO 82 N -0.25 3.27 0.45 1.29 0.04 -1.26 -4.85 135.00 133.69 3kal s PRO 82 Ca -0.03 1.27 -0.05 0.00 0.04 0.00 0.00 61.00 62.24 3kal s PRO 82 Cb -0.03 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 3kal s PRO 82 CO 0.00 -0.86 0.74 0.20 0.04 0.00 0.00 177.00 177.12 3kal s GLY 83 N -2.63 1.51 0.52 0.56 0.00 -1.26 -4.69 107.32 101.34 3kal s GLY 83 Ca 0.65 -0.55 -0.21 0.00 0.00 0.00 0.00 44.72 44.62 3kal s GLY 83 CO 0.36 -0.40 1.16 2.56 0.00 0.00 0.00 173.10 176.78 3kal s PRO 84 N -4.58 3.42 -0.20 2.90 0.04 -1.26 -0.31 135.00 135.00 3kal s PRO 84 Ca 0.46 1.73 -0.10 0.00 0.04 0.00 0.00 61.00 63.13 3kal s PRO 84 Cb -0.10 -2.14 0.07 0.00 0.04 0.00 0.00 34.50 32.37 3kal s PRO 84 CO 0.42 -0.82 0.48 0.12 0.04 0.00 0.00 177.00 177.24 3kal s PHE 85 N -1.65 -0.75 0.38 0.56 2.19 -0.80 -4.74 117.98 113.17 3kal s PHE 85 Ca 0.70 1.53 -0.26 0.00 0.33 0.00 0.00 56.93 59.23 3kal s PHE 85 Cb -0.27 0.37 -0.09 0.00 -1.31 0.00 0.00 43.02 41.72 3kal s PHE 85 CO 0.31 -0.41 1.18 -2.14 1.83 0.00 0.00 175.22 175.99 3kal s PRO 86 N 1.63 4.15 0.39 10.12 0.02 -1.26 -1.40 135.00 148.65 3kal s PRO 86 Ca -0.09 1.88 0.09 0.00 0.02 0.00 0.00 61.00 62.90 3kal s PRO 86 Cb -0.08 -2.78 0.80 0.00 0.02 0.00 0.00 34.50 32.46 3kal s PRO 86 CO -0.15 -0.24 1.95 1.49 -0.33 0.00 0.00 177.00 179.72 3kal h GLU 87 N 2.85 0.32 -0.67 5.54 4.81 -1.88 0.09 114.58 125.65 3kal h GLU 87 Ca -0.49 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 58.70 3kal h GLU 87 Cb 1.23 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.52 3kal h GLU 87 CO 0.63 0.37 0.44 0.66 -0.73 0.00 0.00 179.01 180.39 3kal h SER 88 N 0.31 0.76 0.11 1.04 4.64 -1.90 0.26 113.55 118.77 3kal h SER 88 Ca 0.07 -0.02 -0.24 0.00 -0.47 0.00 0.00 61.79 61.13 3kal h SER 88 Cb 0.26 -0.19 0.01 0.00 -0.31 0.00 0.00 62.40 62.18 3kal h SER 88 CO 0.01 0.55 -0.96 0.45 -0.87 0.00 0.00 176.83 176.01 3kal h HIS 89 N 0.89 0.88 -0.23 4.77 3.86 -1.41 -2.57 115.15 121.34 3kal h HIS 89 Ca 0.25 -0.46 0.03 0.00 -1.16 0.00 0.00 60.37 59.03 3kal h HIS 89 Cb -0.09 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 28.24 3kal h HIS 89 CO -0.03 1.28 0.03 2.35 0.86 0.00 0.00 177.93 182.42 3kal h TRP 90 N 0.35 0.04 -0.96 2.45 2.91 -0.66 -1.01 115.95 119.08 3kal h TRP 90 Ca -0.10 0.02 0.18 0.00 1.13 0.00 0.00 58.89 60.12 3kal h TRP 90 Cb 1.59 0.02 -0.11 0.00 -0.51 0.00 0.00 29.16 30.16 3kal h TRP 90 CO 0.08 -0.00 0.55 0.87 -1.03 0.00 0.00 178.44 178.91 3kal h LYS 91 N 0.11 0.68 -0.08 2.65 1.57 -0.53 -1.92 116.57 119.05 3kal h LYS 91 Ca 0.11 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.73 3kal h LYS 91 Cb 0.12 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3kal h LYS 91 CO -0.16 0.45 -0.46 0.37 -0.57 0.00 0.00 179.45 179.08 3kal h GLN 92 N 0.70 0.18 -0.49 3.15 4.15 -0.94 -0.40 115.11 121.47 3kal h GLN 92 Ca 0.55 -0.10 -0.12 0.00 0.77 0.00 0.00 58.65 59.75 3kal h GLN 92 Cb 0.85 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.53 3kal h GLN 92 CO -0.39 0.62 -0.17 0.78 -1.93 0.00 0.00 178.83 177.74 3kal h GLY 93 N 1.32 1.03 1.88 2.39 0.00 -0.68 -2.60 103.07 106.42 3kal h GLY 93 Ca 0.01 -0.87 -0.23 0.00 0.00 0.00 0.00 47.33 46.24 3kal h GLY 93 CO 0.07 0.79 -1.08 0.00 0.00 0.00 0.00 176.54 176.32 3kal h GLU 95 N 0.02 0.63 0.00 0.00 5.08 -1.17 -3.17 114.58 115.96 3kal h GLU 95 Ca -0.05 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 3kal h GLU 95 Cb 1.83 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.96 3kal h GLU 95 CO 0.15 0.52 0.00 1.25 -1.00 0.00 0.00 179.01 179.93 3kal h LEU 96 N 0.59 0.00 0.36 1.33 7.12 -1.32 -3.33 115.31 120.06 3kal h LEU 96 Ca 0.16 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 58.15 3kal h LEU 96 Cb 0.08 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.21 3kal h LEU 96 CO -0.02 0.00 -0.17 0.00 -0.13 0.00 0.00 178.44 178.11 3kal h ALA 97 N 2.25 -0.48 0.00 1.25 0.00 -1.47 0.27 119.26 121.08 3kal h ALA 97 Ca 0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3kal h ALA 97 Cb 0.39 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3kal h ALA 97 CO 0.00 -0.70 -0.23 -1.00 0.00 0.00 0.00 179.25 177.32 3kal h PRO 98 N -0.62 0.00 0.04 0.00 0.13 -1.77 -0.20 132.00 129.58 3kal h PRO 98 Ca -0.05 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.08 3kal h PRO 98 Cb 0.45 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.58 3kal h PRO 98 CO 0.08 0.23 -0.02 0.82 -0.23 0.00 0.00 178.00 178.88 3kal h ILE 99 N 0.00 0.99 -0.12 -3.56 2.04 -1.62 -1.46 117.51 113.78 3kal h ILE 99 Ca -0.00 -0.08 -0.11 0.00 1.00 0.00 0.00 64.86 65.67 3kal h ILE 99 Cb 0.63 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 3kal h ILE 99 CO 0.03 0.02 -0.40 -0.26 0.00 0.00 0.00 178.15 177.54 3kal h PHE 100 N -0.09 0.31 -0.02 1.37 0.04 -0.21 -1.02 116.94 117.31 3kal h PHE 100 Ca -0.01 -0.08 0.03 0.00 2.80 0.00 0.00 57.97 60.71 3kal h PHE 100 Cb 0.08 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 38.12 3kal h PHE 100 CO -0.06 0.63 -0.17 -0.91 -0.60 0.00 0.00 178.31 177.20 3kal h ASN 101 N 0.22 -0.50 -0.45 2.17 2.35 -0.85 0.66 115.58 119.18 3kal h ASN 101 Ca 0.02 0.07 0.03 0.00 -0.55 0.00 0.00 56.30 55.88 3kal h ASN 101 Cb 0.81 0.21 -0.04 0.00 0.05 0.00 0.00 38.32 39.35 3kal h ASN 101 CO 0.06 -0.23 0.23 -0.08 -1.65 0.00 0.00 177.43 175.77 3kal h GLU 102 N -0.27 0.45 -0.37 0.81 4.57 -1.05 -1.95 114.58 116.77 3kal h GLU 102 Ca 0.06 -0.03 0.07 0.00 -1.18 0.00 0.00 59.36 58.28 3kal h GLU 102 Cb 0.35 -0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 28.77 3kal h GLU 102 CO -0.17 0.30 0.00 1.25 -1.18 0.00 0.00 179.01 179.21 3kal h LEU 103 N 0.47 -0.15 -0.85 1.64 5.85 -1.07 -1.77 115.31 119.43 3kal h LEU 103 Ca 0.19 0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.92 3kal h LEU 103 Cb 0.09 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 3kal h LEU 103 CO -0.13 -0.04 -0.04 0.58 -0.34 0.00 0.00 178.44 178.47 3kal h VAL 104 N 0.10 1.25 -0.67 1.05 2.07 -0.66 -1.10 116.25 118.30 3kal h VAL 104 Ca 0.18 -1.08 -0.06 0.00 0.82 0.00 0.00 66.70 66.57 3kal h VAL 104 Cb 0.25 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 3kal h VAL 104 CO -0.30 0.38 0.20 -0.78 0.02 0.00 0.00 177.57 177.09 3kal h ASP 105 N 0.75 0.99 -0.42 0.57 3.58 -1.14 -1.52 116.42 119.24 3kal h ASP 105 Ca 0.14 -0.21 -0.09 0.00 0.42 0.00 0.00 57.03 57.28 3kal h ASP 105 Cb 0.51 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.28 3kal h ASP 105 CO 0.03 0.94 -0.07 0.03 -2.88 0.00 0.00 179.24 177.29 3kal h ARG 106 N 0.99 0.86 0.00 0.28 3.08 -1.02 -2.32 114.38 116.24 3kal h ARG 106 Ca 0.22 -0.28 -0.14 0.00 0.07 0.00 0.00 59.98 59.85 3kal h ARG 106 Cb 0.31 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 3kal h ARG 106 CO -0.01 0.90 -0.67 0.28 -1.07 0.00 0.00 179.97 179.40 3kal h VAL 107 N 0.78 1.26 -0.09 2.04 2.07 -1.11 -3.09 116.25 118.11 3kal h VAL 107 Ca 0.14 -2.49 -0.11 0.00 0.82 0.00 0.00 66.70 65.05 3kal h VAL 107 Cb 0.57 2.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.76 3kal h VAL 107 CO 0.03 0.66 -0.44 0.77 0.02 0.00 0.00 177.57 178.61 3kal h SER 108 N 0.00 0.21 0.45 0.57 4.64 -0.73 -2.40 113.55 116.29 3kal h SER 108 Ca -0.01 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3kal h SER 108 Cb 1.38 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3kal h SER 108 CO 0.09 0.63 0.00 -0.07 -0.87 0.00 0.00 176.83 176.61 3kal h LEU 109 N 0.17 0.00 -7.47 5.97 3.38 -1.39 -3.38 115.31 112.58 3kal h LEU 109 Ca 0.01 0.00 -0.78 0.00 0.09 0.00 0.00 57.88 57.21 3kal h LEU 109 Cb 0.85 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.37 3kal h LEU 109 CO 0.07 0.00 0.91 -0.67 0.09 0.00 0.00 178.44 178.84 3kal n ASP 110 N -3.04 5.49 0.16 -0.43 -0.08 -0.91 -4.83 116.55 112.91 3kal n ASP 110 Ca -0.01 -3.06 0.05 0.00 -1.51 0.00 0.00 54.79 50.25 3kal n ASP 110 Cb 0.17 -1.44 0.48 0.00 2.34 0.00 0.00 41.12 42.67 3kal n ASP 110 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 3kal h GLY 111 N 7.66 0.18 0.87 0.27 0.00 -1.82 -2.25 103.07 107.97 3kal h GLY 111 Ca 0.24 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 3kal h GLY 111 CO 1.17 0.09 0.04 1.70 0.00 0.00 0.00 176.54 179.53 3kal h LYS 112 N 0.16 0.13 -0.53 4.80 3.64 -1.96 -1.03 116.57 121.79 3kal h LYS 112 Ca 0.04 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.47 3kal h LYS 112 Cb 0.22 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.96 3kal h LYS 112 CO 0.01 0.24 0.18 0.35 -2.27 0.00 0.00 179.45 177.96 3kal h PHE 113 N -0.01 0.32 -0.19 1.91 3.57 -1.80 0.23 116.94 120.96 3kal h PHE 113 Ca 0.03 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 3kal h PHE 113 Cb 0.15 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 3kal h PHE 113 CO -0.02 0.09 0.02 -0.07 -2.23 0.00 0.00 178.31 176.10 3kal h LEU 114 N 0.36 0.31 -0.89 0.59 3.38 -1.32 0.86 115.31 118.60 3kal h LEU 114 Ca 0.26 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 3kal h LEU 114 Cb 0.29 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3kal h LEU 114 CO -0.27 0.52 -0.06 1.56 0.09 0.00 0.00 178.44 180.28 3kal h GLN 115 N 0.10 0.75 0.06 1.13 1.08 -0.84 -2.63 115.11 114.76 3kal h GLN 115 Ca 0.06 -0.22 -0.00 0.00 -1.45 0.00 0.00 58.65 57.03 3kal h GLN 115 Cb 0.35 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 3kal h GLN 115 CO 0.01 0.80 -0.03 0.93 -0.95 0.00 0.00 178.83 179.59 3kal h GLU 116 N 0.69 -0.08 -0.97 1.46 4.39 -0.82 -1.94 114.58 117.32 3kal h GLU 116 Ca 0.13 0.01 0.17 0.00 0.34 0.00 0.00 59.36 60.01 3kal h GLU 116 Cb 0.52 0.02 -0.10 0.00 -0.10 0.00 0.00 28.75 29.08 3kal h GLU 116 CO 0.03 0.52 0.57 0.77 -1.16 0.00 0.00 179.01 179.74 3kal h SER 117 N -0.79 0.73 -0.32 1.42 0.02 -0.88 -2.16 113.55 111.58 3kal h SER 117 Ca -0.01 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3kal h SER 117 Cb 0.63 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.13 3kal h SER 117 CO 0.01 0.28 0.00 0.18 -1.14 0.00 0.00 176.83 176.16 3kal n LEU 118 N -4.78 2.65 -0.30 5.07 4.77 -0.99 -4.43 117.00 118.99 3kal n LEU 118 Ca 0.22 -1.16 -0.02 0.00 -0.03 0.00 0.00 56.01 55.02 3kal n LEU 118 Cb 0.52 -0.21 0.15 0.00 -2.33 0.00 0.00 43.42 41.56 3kal n LEU 118 CO 0.22 0.58 1.22 0.77 -1.33 0.00 0.00 177.39 178.85 3kal h SER 119 N 3.37 1.03 0.03 -1.43 4.64 -0.65 0.13 113.55 120.67 3kal h SER 119 Ca 0.00 -0.06 -0.24 0.00 -0.47 0.00 0.00 61.79 61.02 3kal h SER 119 Cb 0.75 -0.26 0.02 0.00 -0.31 0.00 0.00 62.40 62.60 3kal h SER 119 CO 0.00 0.79 -0.96 0.03 -0.87 0.00 0.00 176.83 175.81 3kal h ARG 120 N 1.19 0.60 -0.74 4.77 3.08 -1.80 -3.30 114.38 118.18 3kal h ARG 120 Ca 0.31 -0.69 0.17 0.00 0.07 0.00 0.00 59.98 59.84 3kal h ARG 120 Cb -0.06 0.20 -0.13 0.00 0.08 0.00 0.00 29.97 30.06 3kal h ARG 120 CO -0.06 1.28 0.01 1.15 -1.07 0.00 0.00 179.97 181.28 3kal h THR 121 N 0.21 0.37 -0.78 2.04 2.02 -1.61 -2.25 112.91 112.90 3kal h THR 121 Ca -0.13 -0.04 0.15 0.00 0.77 0.00 0.00 66.41 67.16 3kal h THR 121 Cb 1.64 0.25 -0.15 0.00 -1.74 0.00 0.00 68.15 68.15 3kal h THR 121 CO 0.19 0.02 -0.24 0.50 0.37 0.00 0.00 175.52 176.36 3kal h LYS 122 N 0.11 -0.03 -0.18 6.66 3.64 -0.83 0.63 116.57 126.58 3kal h LYS 122 Ca 0.40 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.64 3kal h LYS 122 Cb 0.70 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 3kal h LYS 122 CO -0.64 -0.02 -0.50 -0.91 -2.27 0.00 0.00 179.45 175.11 3kal h ASN 123 N -0.03 0.53 0.99 4.20 4.21 -1.54 -3.29 115.58 120.64 3kal h ASN 123 Ca 0.36 -0.26 -0.14 0.00 1.21 0.00 0.00 56.30 57.46 3kal h ASN 123 Cb 0.58 -0.15 -0.02 0.00 -1.12 0.00 0.00 38.32 37.61 3kal h ASN 123 CO -0.82 0.94 -0.69 0.00 -1.29 0.00 0.00 177.43 175.57 3kal h ALA 124 N 1.08 0.69 -3.23 -0.83 0.00 -0.76 -3.45 119.26 112.74 3kal h ALA 124 Ca 0.02 -0.63 -0.56 0.00 0.00 0.00 0.00 54.91 53.74 3kal h ALA 124 Cb 1.01 -0.11 -0.40 0.00 0.00 0.00 0.00 17.79 18.29 3kal h ALA 124 CO 0.09 0.86 -0.76 0.34 0.00 0.00 0.00 179.25 179.78 3kal s ASP 125 N -6.64 3.61 0.36 0.00 2.15 0.21 -4.79 116.67 111.57 3kal s ASP 125 Ca 0.01 -1.29 0.08 0.00 0.43 0.00 0.00 52.55 51.77 3kal s ASP 125 Cb 0.10 -0.79 0.79 0.00 -0.30 0.00 0.00 42.92 42.73 3kal s ASP 125 CO 0.77 -0.36 1.92 -0.33 -0.17 0.00 0.00 175.17 177.00 3kal h GLU 126 N 8.14 0.69 -0.01 4.34 3.07 -1.85 -1.54 114.58 127.42 3kal h GLU 126 Ca -0.15 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 58.66 3kal h GLU 126 Cb 1.06 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 28.81 3kal h GLU 126 CO 0.42 0.46 -0.01 0.35 -1.40 0.00 0.00 179.01 178.83 3kal h PHE 127 N 0.71 0.02 -0.49 4.33 3.57 -1.95 -2.50 116.94 120.64 3kal h PHE 127 Ca 0.37 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.93 3kal h PHE 127 Cb 0.48 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.18 3kal h PHE 127 CO -0.00 0.48 0.33 1.15 -2.23 0.00 0.00 178.31 178.04 3kal h THR 128 N -0.45 0.94 -0.26 4.41 2.02 -1.87 -2.18 112.91 115.53 3kal h THR 128 Ca 0.00 -0.12 -0.12 0.00 0.77 0.00 0.00 66.41 66.94 3kal h THR 128 Cb 0.48 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 67.43 3kal h THR 128 CO 0.00 0.07 -0.30 -1.28 0.37 0.00 0.00 175.52 174.38 3kal h SER 129 N 0.36 0.71 -0.40 4.18 0.87 -1.21 0.22 113.55 118.28 3kal h SER 129 Ca 0.22 -0.49 -0.00 0.00 -1.23 0.00 0.00 61.79 60.28 3kal h SER 129 Cb 0.38 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 3kal h SER 129 CO -0.05 1.06 0.25 0.03 -0.53 0.00 0.00 176.83 177.58 3kal h ARG 130 N 0.38 0.55 -0.06 2.24 2.47 -1.20 -0.28 114.38 118.48 3kal h ARG 130 Ca 0.03 -0.05 0.03 0.00 -1.26 0.00 0.00 59.98 58.74 3kal h ARG 130 Cb 0.88 -0.12 -0.04 0.00 -1.65 0.00 0.00 29.97 29.04 3kal h ARG 130 CO 0.07 0.40 -0.19 -0.07 0.56 0.00 0.00 179.97 180.75 3kal h LEU 131 N 0.53 -0.57 -1.35 3.04 3.38 -1.37 -2.21 115.31 116.77 3kal h LEU 131 Ca 0.14 0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.28 3kal h LEU 131 Cb -0.00 0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 3kal h LEU 131 CO -0.03 -0.25 0.50 -0.07 0.09 0.00 0.00 178.44 178.69 3kal h LEU 132 N -0.27 0.69 -0.31 1.67 3.38 -0.11 -1.88 115.31 118.47 3kal h LEU 132 Ca 0.08 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3kal h LEU 132 Cb 0.38 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3kal h LEU 132 CO -0.22 0.43 0.14 0.44 0.09 0.00 0.00 178.44 179.33 3kal h ASP 133 N 0.78 0.42 -0.68 -0.43 3.32 -0.97 0.15 116.42 119.01 3kal h ASP 133 Ca 0.34 -0.14 0.03 0.00 0.02 0.00 0.00 57.03 57.28 3kal h ASP 133 Cb 0.30 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.70 3kal h ASP 133 CO -0.12 0.44 0.42 0.40 -1.72 0.00 0.00 179.24 178.66 3kal h ILE 134 N 0.37 1.09 -0.37 0.35 2.04 -1.11 -1.72 117.51 118.16 3kal h ILE 134 Ca 0.11 -0.28 -0.09 0.00 1.00 0.00 0.00 64.86 65.60 3kal h ILE 134 Cb 0.14 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 3kal h ILE 134 CO -0.01 0.15 -0.11 -0.74 0.00 0.00 0.00 178.15 177.44 3kal h HIS 135 N 0.82 0.83 -0.50 1.37 2.76 -1.00 -1.81 115.15 117.62 3kal h HIS 135 Ca 0.27 -0.18 0.10 0.00 -2.20 0.00 0.00 60.37 58.36 3kal h HIS 135 Cb 0.02 -0.20 -0.10 0.00 1.55 0.00 0.00 27.41 28.68 3kal h HIS 135 CO -0.05 0.89 -0.21 0.77 -1.30 0.00 0.00 177.93 178.03 3kal h SER 136 N 0.53 -0.74 -0.65 3.26 0.02 -0.61 -0.72 113.55 114.64 3kal h SER 136 Ca 0.09 0.18 0.13 0.00 -0.84 0.00 0.00 61.79 61.35 3kal h SER 136 Cb 0.63 0.41 -0.09 0.00 0.14 0.00 0.00 62.40 63.49 3kal h SER 136 CO 0.04 -0.24 0.15 0.11 -1.14 0.00 0.00 176.83 175.75 3kal h LYS 137 N -0.10 0.27 0.03 3.45 1.57 -1.03 -2.02 116.57 118.73 3kal h LYS 137 Ca 0.23 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3kal h LYS 137 Cb 0.46 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 3kal h LYS 137 CO -0.57 0.18 -0.04 0.52 -0.57 0.00 0.00 179.45 178.97 3kal h MET 138 N 0.27 -0.07 -0.60 3.15 2.86 -0.81 -2.48 114.93 117.26 3kal h MET 138 Ca 0.35 0.00 0.16 0.00 -2.06 0.00 0.00 59.70 58.15 3kal h MET 138 Cb 0.54 0.02 -0.11 0.00 0.06 0.00 0.00 31.60 32.10 3kal h MET 138 CO -0.43 -0.04 -0.02 1.28 1.06 0.00 0.00 176.91 178.75 3kal n LEU 139 N -2.55 -0.10 0.25 1.22 4.32 -0.32 -0.16 117.00 119.66 3kal n LEU 139 Ca -0.01 1.02 -0.10 0.00 -0.02 0.00 0.00 56.01 56.90 3kal n LEU 139 Cb 0.03 -0.36 -0.05 0.00 -1.62 0.00 0.00 43.42 41.43 3kal n LEU 139 CO 0.02 -1.02 0.44 1.56 -1.22 0.00 0.00 177.39 177.16 3kal h GLN 140 N 0.00 -0.63 -1.02 3.23 4.20 -1.39 -2.23 115.11 117.27 3kal h GLN 140 Ca 0.35 0.04 0.40 0.00 0.06 0.00 0.00 58.65 59.50 3kal h GLN 140 Cb 0.68 0.14 -0.15 0.00 0.30 0.00 0.00 27.48 28.46 3kal h GLN 140 CO -0.57 -0.42 0.60 -0.89 -0.67 0.00 0.00 178.83 176.87 3kal n ILE 141 N -4.00 -0.32 -4.04 2.54 5.41 0.77 -4.78 119.36 114.93 3kal n ILE 141 Ca -0.08 1.75 -0.33 0.00 1.00 0.00 0.00 62.75 65.09 3kal n ILE 141 Cb 0.26 -2.86 -0.06 0.00 -0.71 0.00 0.00 39.64 36.27 3kal n ILE 141 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 3kal n ASN 142 N -4.84 -1.60 -4.77 4.38 5.15 0.08 -4.91 115.26 108.74 3kal n ASN 142 Ca 0.35 -0.88 -0.38 0.00 -0.60 0.00 0.00 54.58 53.06 3kal n ASN 142 Cb 1.25 -1.42 -0.01 0.00 -0.53 0.00 0.00 39.78 39.07 3kal n ASN 142 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 3kal s LYS 143 N -6.57 3.92 -0.25 1.20 -2.85 -1.26 -4.96 119.74 108.98 3kal s LYS 143 Ca 0.65 1.93 -0.13 0.00 -1.00 0.00 0.00 55.97 57.42 3kal s LYS 143 Cb -0.38 -2.62 -0.04 0.00 -2.06 0.00 0.00 37.83 32.72 3kal s LYS 143 CO 0.80 -0.46 0.28 0.21 0.10 0.00 0.00 175.35 176.28 3kal s LYS 144 N -2.39 4.05 -0.32 1.78 2.20 -1.26 -5.01 119.74 118.79 3kal s LYS 144 Ca 0.59 -0.08 -0.04 0.00 -0.36 0.00 0.00 55.97 56.07 3kal s LYS 144 Cb -0.33 -3.60 0.04 0.00 -1.51 0.00 0.00 37.83 32.44 3kal s LYS 144 CO 0.41 -0.11 0.06 -1.83 -0.36 0.00 0.00 175.35 173.52 3kal s GLU 145 N 1.55 2.57 0.00 4.03 1.03 -1.26 -5.00 118.70 121.62 3kal s GLU 145 Ca 0.12 -1.19 0.28 0.00 0.03 0.00 0.00 54.97 54.21 3kal s GLU 145 Cb -0.15 -3.33 1.08 0.00 -0.80 0.00 0.00 34.13 30.94 3kal s GLU 145 CO 0.08 -0.63 1.80 -0.25 -1.33 0.00 0.00 175.26 174.93 3kal n ASP 146 N 4.73 0.24 -4.30 0.83 9.92 -1.26 -4.75 116.55 121.97 3kal n ASP 146 Ca -0.13 -0.01 -0.37 0.00 -0.53 0.00 0.00 54.79 53.75 3kal n ASP 146 Cb 0.44 -0.19 -0.13 0.00 -0.64 0.00 0.00 41.12 40.60 3kal n ASP 146 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3kal s ILE 147 N -2.83 3.70 -0.03 0.53 1.01 -1.26 0.93 121.20 123.25 3kal s ILE 147 Ca 0.18 -0.86 0.04 0.00 0.00 0.00 0.00 60.65 60.00 3kal s ILE 147 Cb 0.19 -2.95 -0.00 0.00 0.01 0.00 0.00 42.46 39.71 3kal s ILE 147 CO 0.55 0.04 -0.13 -0.13 0.00 0.00 0.00 174.94 175.27 3kal s ARG 148 N 1.44 1.31 0.10 2.79 0.52 -1.00 -4.91 118.95 119.20 3kal s ARG 148 Ca 0.01 -0.46 0.04 0.00 -0.52 0.00 0.00 55.73 54.80 3kal s ARG 148 Cb -0.18 -1.19 -0.04 0.00 0.52 0.00 0.00 34.95 34.07 3kal s ARG 148 CO 0.01 0.20 -0.10 0.00 0.02 0.00 0.00 175.30 175.43 3kal s MET 149 N 0.04 0.85 0.02 3.54 0.23 -1.26 -0.73 119.30 121.99 3kal s MET 149 Ca -0.02 -1.16 0.02 0.00 -1.03 0.00 0.00 55.69 53.50 3kal s MET 149 Cb -0.09 -0.54 -0.01 0.00 -1.53 0.00 0.00 34.83 32.65 3kal s MET 149 CO 0.01 0.08 -0.07 0.20 -2.03 0.00 0.00 175.02 173.21 3kal s GLY 150 N -2.45 0.41 -0.32 3.16 0.00 -0.04 -4.69 107.32 103.39 3kal s GLY 150 Ca 0.06 -0.50 0.03 0.00 0.00 0.00 0.00 44.72 44.30 3kal s GLY 150 CO 0.00 -0.50 0.04 -0.42 0.00 0.00 0.00 173.10 172.22 3kal s ILE 151 N -0.71 1.87 0.42 0.90 1.01 -1.26 -1.98 121.20 121.46 3kal s ILE 151 Ca -0.03 -1.98 0.03 0.00 0.00 0.00 0.00 60.65 58.67 3kal s ILE 151 Cb -0.06 -2.34 -0.02 0.00 0.01 0.00 0.00 42.46 40.04 3kal s ILE 151 CO 0.00 -0.54 0.11 0.68 0.00 0.00 0.00 174.94 175.19 3kal s VAL 152 N 1.13 0.72 -0.19 2.92 -7.23 0.45 -4.60 120.40 113.60 3kal s VAL 152 Ca 0.08 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.20 3kal s VAL 152 Cb -0.19 -2.34 0.09 0.00 0.56 0.00 0.00 36.38 34.50 3kal s VAL 152 CO -0.12 0.00 0.35 -0.60 -0.31 0.00 0.00 175.10 174.42 3kal s ARG 153 N -3.74 0.26 -0.27 4.82 3.52 -0.46 -0.81 118.95 122.27 3kal s ARG 153 Ca 0.22 0.78 -0.12 0.00 -0.13 0.00 0.00 55.73 56.47 3kal s ARG 153 Cb 0.03 -0.06 -0.05 0.00 -1.56 0.00 0.00 34.95 33.31 3kal s ARG 153 CO 0.13 -0.37 0.25 0.45 -0.81 0.00 0.00 175.30 174.95 3kal s SER 154 N 2.52 6.12 -0.17 -2.12 0.15 -0.31 0.04 113.70 119.93 3kal s SER 154 Ca 0.03 0.12 -0.07 0.00 0.70 0.00 0.00 55.95 56.73 3kal s SER 154 Cb -0.13 -2.15 -0.04 0.00 -1.71 0.00 0.00 66.02 61.99 3kal s SER 154 CO -0.12 -0.08 0.07 -1.81 1.20 0.00 0.00 173.24 172.50 3kal s ASP 155 N 1.60 5.72 0.08 5.45 1.01 -0.83 -0.74 116.67 128.96 3kal s ASP 155 Ca 0.10 0.13 0.06 0.00 0.71 0.00 0.00 52.55 53.55 3kal s ASP 155 Cb -0.16 -1.95 -0.03 0.00 1.01 0.00 0.00 42.92 41.79 3kal s ASP 155 CO 0.10 0.20 -0.16 -0.31 0.21 0.00 0.00 175.17 175.21 3kal s TYR 156 N 0.19 1.38 0.05 4.23 2.02 -0.33 -0.11 117.35 124.78 3kal s TYR 156 Ca 0.05 -0.44 0.07 0.00 -0.37 0.00 0.00 57.07 56.39 3kal s TYR 156 Cb -0.12 -0.77 -0.03 0.00 -0.40 0.00 0.00 41.96 40.64 3kal s TYR 156 CO 0.00 0.09 -0.21 -1.64 -1.57 0.00 0.00 175.55 172.23 3kal s MET 157 N -1.71 1.37 -0.37 -0.62 -1.94 -0.24 -0.82 119.30 114.98 3kal s MET 157 Ca 0.01 -0.94 -0.21 0.00 -1.71 0.00 0.00 55.69 52.83 3kal s MET 157 Cb -0.10 -1.49 0.01 0.00 2.01 0.00 0.00 34.83 35.26 3kal s MET 157 CO 0.03 0.38 0.68 0.42 -0.01 0.00 0.00 175.02 176.52 3kal s ILE 158 N -0.81 4.84 -0.04 2.53 1.01 -1.26 -1.79 121.20 125.67 3kal s ILE 158 Ca 0.07 0.62 -0.30 0.00 0.00 0.00 0.00 60.65 61.05 3kal s ILE 158 Cb -0.09 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 3kal s ILE 158 CO 0.02 -0.38 1.28 -0.62 0.00 0.00 0.00 174.94 175.24 3kal s ASP 159 N 1.83 6.97 0.08 3.58 2.15 -0.11 -3.75 116.67 127.42 3kal s ASP 159 Ca 0.26 1.93 -0.28 0.00 0.43 0.00 0.00 52.55 54.89 3kal s ASP 159 Cb -0.14 -2.56 -0.17 0.00 -0.30 0.00 0.00 42.92 39.75 3kal s ASP 159 CO 0.16 -0.65 1.68 -0.08 -0.17 0.00 0.00 175.17 176.11 3kal h GLU 160 N 7.65 -0.41 -6.40 4.34 4.81 -0.93 -3.09 114.58 120.55 3kal h GLU 160 Ca -0.35 0.03 -0.57 0.00 -0.13 0.00 0.00 59.36 58.34 3kal h GLU 160 Cb 1.17 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.59 3kal h GLU 160 CO 0.89 -0.27 1.05 -1.59 -0.73 0.00 0.00 179.01 178.37 3kal s LYS 161 N -6.09 3.74 0.01 1.92 -2.85 -1.26 -3.76 119.74 111.45 3kal s LYS 161 Ca -0.15 1.23 0.00 0.00 -1.00 0.00 0.00 55.97 56.05 3kal s LYS 161 Cb 0.05 -3.98 0.00 0.00 -2.06 0.00 0.00 37.83 31.84 3kal s LYS 161 CO 0.64 -1.35 0.00 -2.37 0.10 0.00 0.00 175.35 172.37 3kal n THR 162 N 6.62 -2.69 -3.08 3.79 5.66 -1.26 -4.75 114.28 118.56 3kal n THR 162 Ca 0.17 0.20 -0.44 0.00 -3.05 0.00 0.00 64.05 60.93 3kal n THR 162 Cb 0.47 -2.36 0.00 0.00 -1.55 0.00 0.00 70.33 66.89 3kal n THR 162 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 3kal n LYS 163 N 0.11 3.55 -4.80 1.09 4.81 -1.25 -4.44 118.16 117.24 3kal n LYS 163 Ca 0.00 -4.15 -0.25 0.00 -0.87 0.00 0.00 58.31 53.05 3kal n LYS 163 Cb 0.00 -2.78 -0.15 0.00 0.02 0.00 0.00 35.03 32.12 3kal n LYS 163 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 3kal s SER 164 N 1.68 2.00 -0.30 3.14 1.04 -1.17 -4.93 113.70 115.16 3kal s SER 164 Ca 0.37 -0.31 -0.29 0.00 0.48 0.00 0.00 55.95 56.19 3kal s SER 164 Cb -0.05 -0.31 -0.01 0.00 0.10 0.00 0.00 66.02 65.76 3kal s SER 164 CO -0.03 0.19 1.46 -0.22 0.98 0.00 0.00 173.24 175.62 3kal s LEU 165 N -0.28 3.80 -0.05 2.42 2.96 -1.26 -0.93 118.68 125.35 3kal s LEU 165 Ca 0.04 1.27 0.06 0.00 -0.22 0.00 0.00 54.13 55.28 3kal s LEU 165 Cb -0.08 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.06 3kal s LEU 165 CO 0.00 -1.25 -0.24 -0.76 -1.32 0.00 0.00 176.35 172.78 3kal s LEU 166 N 5.01 2.14 -0.08 -0.68 1.43 -0.74 -4.23 118.68 121.53 3kal s LEU 166 Ca 0.64 -0.47 -0.30 0.00 -1.03 0.00 0.00 54.13 52.97 3kal s LEU 166 Cb -0.19 -1.39 -0.03 0.00 0.03 0.00 0.00 46.19 44.62 3kal s LEU 166 CO 0.28 0.28 1.21 -1.58 0.23 0.00 0.00 176.35 176.76 3kal s GLN 167 N -0.34 4.33 -0.08 1.70 0.74 0.20 -1.08 119.66 125.13 3kal s GLN 167 Ca 0.02 1.66 -0.25 0.00 0.05 0.00 0.00 55.36 56.84 3kal s GLN 167 Cb -0.12 -3.60 -0.21 0.00 1.10 0.00 0.00 33.01 30.18 3kal s GLN 167 CO 0.02 -0.50 0.91 0.82 -0.55 0.00 0.00 175.29 175.99 3kal h ILE 168 N 5.11 1.41 -2.54 -2.34 1.08 -0.85 -3.42 117.51 115.97 3kal h ILE 168 Ca -0.32 -1.68 0.08 0.00 -0.39 0.00 0.00 64.86 62.55 3kal h ILE 168 Cb 1.15 2.48 -0.13 0.00 -3.07 0.00 0.00 36.82 37.25 3kal h ILE 168 CO 0.90 0.41 0.40 -1.83 -0.69 0.00 0.00 178.15 177.34 3kal s GLU 169 N -3.05 1.07 -0.19 2.37 -1.05 -1.20 -5.04 118.70 111.62 3kal s GLU 169 Ca -0.16 -0.45 -0.05 0.00 -0.15 0.00 0.00 54.97 54.16 3kal s GLU 169 Cb -0.01 0.46 -0.03 0.00 -0.44 0.00 0.00 34.13 34.11 3kal s GLU 169 CO 0.61 -0.47 -0.00 1.41 0.95 0.00 0.00 175.26 177.75 3kal s MET 170 N -3.37 3.67 -0.30 -4.83 -2.45 -1.26 -1.96 119.30 108.79 3kal s MET 170 Ca 0.05 -0.50 -0.05 0.00 -1.25 0.00 0.00 55.69 53.94 3kal s MET 170 Cb -0.01 -3.05 0.03 0.00 1.25 0.00 0.00 34.83 33.05 3kal s MET 170 CO -0.07 0.10 0.05 -0.80 1.05 0.00 0.00 175.02 175.34 3kal s ASN 171 N 0.76 4.98 0.00 1.11 0.01 0.11 -4.74 114.94 117.17 3kal s ASN 171 Ca 0.00 -0.98 0.20 0.00 -0.71 0.00 0.00 52.86 51.37 3kal s ASN 171 Cb -0.14 -1.80 0.10 0.00 0.41 0.00 0.00 41.25 39.82 3kal s ASN 171 CO 0.02 -0.23 1.08 0.35 -1.51 0.00 0.00 177.10 176.81 3kal n THR 172 N 4.77 0.00 -4.11 1.60 -2.24 -1.26 -1.35 114.28 111.69 3kal n THR 172 Ca -0.14 -0.43 -0.16 0.00 -2.27 0.00 0.00 64.05 61.05 3kal n THR 172 Cb 0.46 1.35 -0.15 0.00 -2.10 0.00 0.00 70.33 69.89 3kal n THR 172 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 3kal s ILE 173 N -1.86 0.36 -1.18 2.28 2.07 -1.26 -4.39 121.20 117.21 3kal s ILE 173 Ca 0.21 -0.16 -0.17 0.00 -1.41 0.00 0.00 60.65 59.12 3kal s ILE 173 Cb 0.16 -0.32 0.02 0.00 0.13 0.00 0.00 42.46 42.45 3kal s ILE 173 CO 0.33 0.12 0.31 -0.24 -1.91 0.00 0.00 174.94 173.55 3kal n SER 174 N 3.16 -1.49 -4.68 4.50 2.88 -1.22 -4.86 113.62 111.89 3kal n SER 174 Ca -0.15 -1.12 -0.42 0.00 -1.33 0.00 0.00 58.87 55.85 3kal n SER 174 Cb 0.57 -1.36 -0.03 0.00 -0.75 0.00 0.00 64.21 62.64 3kal n SER 174 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3kal s THR 175 N -3.95 4.09 0.71 2.46 -4.23 -1.26 -4.94 115.64 108.52 3kal s THR 175 Ca 0.23 1.41 -0.06 0.00 -1.18 0.00 0.00 61.69 62.09 3kal s THR 175 Cb -0.13 -3.91 0.07 0.00 1.34 0.00 0.00 72.50 69.87 3kal s THR 175 CO 0.85 -0.03 1.01 -0.44 -0.54 0.00 0.00 174.62 175.47 3kal s SER 176 N 1.74 4.73 -0.81 3.99 0.01 -1.26 -4.64 113.70 117.47 3kal s SER 176 Ca 0.58 0.35 0.00 0.00 1.31 0.00 0.00 55.95 58.20 3kal s SER 176 Cb -0.26 -0.97 0.00 0.00 0.21 0.00 0.00 66.02 64.99 3kal s SER 176 CO 0.22 -1.64 0.00 0.49 0.41 0.00 0.00 173.24 172.72 3kal n PHE 177 N -2.91 0.00 -0.12 2.43 3.72 -1.26 -4.94 117.46 114.38 3kal n PHE 177 Ca 0.09 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.49 3kal n PHE 177 Cb 0.60 -1.60 0.28 0.00 -0.94 0.00 0.00 39.48 37.83 3kal n PHE 177 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kal h ALA 178 N 0.00 1.46 0.11 4.37 0.00 -1.90 0.29 119.26 123.59 3kal h ALA 178 Ca -0.16 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.49 3kal h ALA 178 Cb 0.52 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.09 3kal h ALA 178 CO 0.23 0.44 -0.75 1.25 0.00 0.00 0.00 179.25 180.42 3kal h LEU 179 N 0.79 0.37 -0.18 0.00 5.85 -1.91 -2.82 115.31 117.41 3kal h LEU 179 Ca 0.20 -0.94 0.02 0.00 0.84 0.00 0.00 57.88 58.00 3kal h LEU 179 Cb 0.04 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 3kal h LEU 179 CO -0.03 1.35 0.05 0.40 -0.34 0.00 0.00 178.44 179.87 3kal h ILE 180 N -0.49 0.94 -0.30 4.05 2.04 -1.96 0.35 117.51 122.14 3kal h ILE 180 Ca -0.14 -0.04 0.06 0.00 1.00 0.00 0.00 64.86 65.74 3kal h ILE 180 Cb 1.54 0.80 -0.06 0.00 -0.74 0.00 0.00 36.82 38.35 3kal h ILE 180 CO 0.11 0.02 -0.11 1.23 0.00 0.00 0.00 178.15 179.40 3kal h GLY 181 N 0.13 0.16 1.67 5.37 0.00 -0.55 0.29 103.07 110.14 3kal h GLY 181 Ca 0.08 0.14 -0.06 0.00 0.00 0.00 0.00 47.33 47.49 3kal h GLY 181 CO -0.10 -0.14 -0.13 0.00 0.00 0.00 0.00 176.54 176.18 3kal h LEU 183 N 0.37 0.28 -0.48 0.00 3.38 -0.45 -1.06 115.31 117.35 3kal h LEU 183 Ca 0.07 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 3kal h LEU 183 Cb 0.45 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3kal h LEU 183 CO 0.03 0.91 0.02 0.24 0.09 0.00 0.00 178.44 179.73 3kal h MET 184 N 0.15 0.84 -0.58 1.13 2.86 -0.05 0.89 114.93 120.17 3kal h MET 184 Ca -0.02 -0.26 0.10 0.00 -2.06 0.00 0.00 59.70 57.46 3kal h MET 184 Cb 1.29 -0.08 -0.08 0.00 0.06 0.00 0.00 31.60 32.79 3kal h MET 184 CO 0.11 0.87 0.15 1.15 1.06 0.00 0.00 176.91 180.25 3kal h THR 185 N 0.70 0.69 0.10 2.22 2.02 -0.95 0.18 112.91 117.87 3kal h THR 185 Ca 0.14 -0.10 -0.00 0.00 0.77 0.00 0.00 66.41 67.22 3kal h THR 185 Cb 0.48 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 3kal h THR 185 CO 0.02 0.05 -0.05 1.23 0.37 0.00 0.00 175.52 177.15 3kal h GLY 186 N 0.29 -0.13 0.52 2.16 0.00 -0.59 0.10 103.07 105.42 3kal h GLY 186 Ca 0.30 0.05 0.03 0.00 0.00 0.00 0.00 47.33 47.71 3kal h GLY 186 CO -0.36 -0.05 -0.20 -2.00 0.00 0.00 0.00 176.54 173.93 3kal h LEU 187 N -0.17 -0.59 -0.72 3.11 5.85 -0.56 -1.03 115.31 121.20 3kal h LEU 187 Ca -0.01 0.08 -0.12 0.00 0.84 0.00 0.00 57.88 58.67 3kal h LEU 187 Cb 0.14 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 3kal h LEU 187 CO 0.02 -0.27 -0.30 0.45 -0.34 0.00 0.00 178.44 178.00 3kal h HIS 188 N -0.32 0.74 -0.63 1.25 3.86 -0.81 0.35 115.15 119.59 3kal h HIS 188 Ca 0.06 -0.19 -0.02 0.00 -1.16 0.00 0.00 60.37 59.06 3kal h HIS 188 Cb 0.40 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.67 3kal h HIS 188 CO -0.25 0.87 0.30 0.87 0.86 0.00 0.00 177.93 180.59 3kal h LYS 189 N 0.55 0.90 -0.06 2.45 1.57 -0.84 0.76 116.57 121.90 3kal h LYS 189 Ca 0.07 -0.12 -0.23 0.00 -1.87 0.00 0.00 60.65 58.49 3kal h LYS 189 Cb 0.80 -0.17 0.02 0.00 0.08 0.00 0.00 32.23 32.95 3kal h LYS 189 CO 0.07 0.70 -0.88 1.03 -0.57 0.00 0.00 179.45 179.79 3kal h SER 190 N 0.90 0.87 -0.29 0.86 0.87 -0.31 -1.35 113.55 115.10 3kal h SER 190 Ca 0.22 -0.70 -0.15 0.00 -1.23 0.00 0.00 61.79 59.93 3kal h SER 190 Cb 0.10 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 61.79 3kal h SER 190 CO -0.03 1.45 -0.40 -0.07 -0.53 0.00 0.00 176.83 177.25 3kal h LEU 191 N 0.38 0.86 -0.71 2.23 3.38 -0.72 -2.67 115.31 118.05 3kal h LEU 191 Ca -0.09 -0.50 -0.09 0.00 0.09 0.00 0.00 57.88 57.28 3kal h LEU 191 Cb 1.53 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 3kal h LEU 191 CO 0.18 1.19 0.01 -0.07 0.09 0.00 0.00 178.44 179.84 3kal h LEU 192 N 0.55 0.98 -1.58 1.67 3.38 -0.84 0.15 115.31 119.61 3kal h LEU 192 Ca 0.03 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 3kal h LEU 192 Cb 0.99 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 3kal h LEU 192 CO 0.09 1.02 -0.21 0.77 0.09 0.00 0.00 178.44 180.20 3kal h SER 193 N 0.92 0.00 0.11 -0.43 4.64 -1.12 0.57 113.55 118.25 3kal h SER 193 Ca 0.17 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.31 3kal h SER 193 Cb 0.52 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.62 3kal h SER 193 CO 0.03 0.21 -0.84 1.56 -0.87 0.00 0.00 176.83 176.93 3kal h GLN 194 N 0.00 0.23 -0.00 4.77 1.08 -1.11 -3.42 115.11 116.65 3kal h GLN 194 Ca -0.00 -0.39 0.00 0.00 -1.45 0.00 0.00 58.65 56.80 3kal h GLN 194 Cb 0.49 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.07 3kal h GLN 194 CO 0.03 1.19 -0.36 0.66 -0.95 0.00 0.00 178.83 179.40 3kal n TYR 195 N -4.17 0.00 -0.13 2.96 4.02 0.48 -4.68 117.16 115.64 3kal n TYR 195 Ca -0.16 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.77 3kal n TYR 195 Cb 0.78 0.00 0.36 0.00 -0.02 0.00 0.00 39.34 40.46 3kal n TYR 195 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 3kal h GLY 196 N 2.49 0.84 0.99 2.72 0.00 0.05 -2.57 103.07 107.59 3kal h GLY 196 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.04 3kal h GLY 196 CO 0.00 0.26 0.15 0.07 0.00 0.00 0.00 176.54 177.02 3kal h LYS 197 N 0.74 0.32 -0.11 4.80 2.10 -1.78 -0.38 116.57 122.26 3kal h LYS 197 Ca 0.25 -0.02 0.03 0.00 -2.00 0.00 0.00 60.65 58.91 3kal h LYS 197 Cb 0.07 -0.07 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3kal h LYS 197 CO -0.07 0.23 0.16 0.74 -2.00 0.00 0.00 179.45 178.52 3kal h PHE 198 N 0.31 0.00 -0.01 0.07 -1.00 -1.80 -3.25 116.94 111.26 3kal h PHE 198 Ca 0.09 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.87 3kal h PHE 198 Cb -0.01 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.55 3kal h PHE 198 CO -0.05 0.00 -0.11 1.28 -1.61 0.00 0.00 178.31 177.82 3kal n LEU 199 N -3.58 1.43 -0.91 1.54 4.77 -0.30 -4.98 117.00 114.96 3kal n LEU 199 Ca -0.00 -0.87 -0.09 0.00 -0.03 0.00 0.00 56.01 55.02 3kal n LEU 199 Cb 0.26 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.34 3kal n LEU 199 CO 0.25 0.28 -0.11 0.61 -1.33 0.00 0.00 177.39 177.09 3kal n GLY 200 N 0.72 0.40 3.24 -0.72 0.00 -0.33 -4.33 105.19 104.17 3kal n GLY 200 Ca 0.05 -0.55 -0.27 0.00 0.00 0.00 0.00 46.02 45.25 3kal n GLY 200 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kal s LEU 201 N -2.42 2.09 -0.06 0.99 1.43 -0.60 -4.93 118.68 115.18 3kal s LEU 201 Ca 0.00 -0.44 0.06 0.00 -1.03 0.00 0.00 54.13 52.71 3kal s LEU 201 Cb 0.00 -1.07 -0.01 0.00 0.03 0.00 0.00 46.19 45.14 3kal s LEU 201 CO 0.00 0.23 -0.24 0.21 0.23 0.00 0.00 176.35 176.78 3kal s ASN 202 N -0.77 3.00 0.52 2.29 2.47 -1.26 -4.22 114.94 116.97 3kal s ASN 202 Ca 0.08 -0.50 0.22 0.00 0.42 0.00 0.00 52.86 53.08 3kal s ASN 202 Cb -0.08 -0.88 1.41 0.00 -1.45 0.00 0.00 41.25 40.24 3kal s ASN 202 CO 0.00 0.23 2.12 0.77 -3.72 0.00 0.00 177.10 176.50 3kal h SER 203 N 6.14 0.00 0.50 -4.21 4.64 -1.87 -1.97 113.55 116.77 3kal h SER 203 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 3kal h SER 203 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3kal h SER 203 CO 0.47 0.08 0.00 0.78 -0.87 0.00 0.00 176.83 177.29 3kal h ASN 204 N 0.00 0.00 0.04 4.97 2.35 -1.95 -2.20 115.58 118.79 3kal h ASN 204 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3kal h ASN 204 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 3kal h ASN 204 CO 0.01 0.00 -0.04 0.54 -1.65 0.00 0.00 177.43 176.29 3kal n ARG 205 N -2.92 1.43 -2.95 0.81 5.12 -0.74 -4.62 116.66 112.78 3kal n ARG 205 Ca -0.01 -0.76 -0.42 0.00 -1.93 0.00 0.00 57.85 54.73 3kal n ARG 205 Cb 0.18 -1.48 -0.05 0.00 -1.16 0.00 0.00 32.46 29.95 3kal n ARG 205 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3kal s VAL 206 N -2.09 4.77 0.46 1.55 1.01 -0.83 0.86 120.40 126.12 3kal s VAL 206 Ca 0.37 1.07 -0.25 0.00 0.00 0.00 0.00 61.98 63.17 3kal s VAL 206 Cb 0.21 -4.17 -0.08 0.00 0.00 0.00 0.00 36.38 32.33 3kal s VAL 206 CO 0.37 -0.32 1.42 -2.84 0.00 0.00 0.00 175.10 173.73 3kal s PRO 207 N 3.02 3.65 0.35 2.72 0.02 -1.26 -4.95 135.00 138.54 3kal s PRO 207 Ca 0.32 2.41 -0.25 0.00 0.02 0.00 0.00 61.00 63.50 3kal s PRO 207 Cb -0.14 -2.63 -0.13 0.00 0.02 0.00 0.00 34.50 31.62 3kal s PRO 207 CO 0.14 -0.85 0.79 0.00 -0.33 0.00 0.00 177.00 176.76 3kal n ALA 208 N -0.25 -0.90 -3.68 -1.55 0.00 -1.26 -4.98 120.51 107.89 3kal n ALA 208 Ca 0.05 0.29 -0.18 0.00 0.00 0.00 0.00 53.44 53.60 3kal n ALA 208 Cb 0.42 -1.90 -0.17 0.00 0.00 0.00 0.00 19.45 17.80 3kal n ALA 208 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3kal s ASN 209 N -0.78 0.90 -0.17 0.00 3.84 -1.26 -4.88 114.94 112.59 3kal s ASN 209 Ca 0.62 0.17 0.15 0.00 0.21 0.00 0.00 52.86 54.00 3kal s ASN 209 Cb -0.67 0.01 0.35 0.00 -0.55 0.00 0.00 41.25 40.39 3kal s ASN 209 CO 0.58 -0.24 1.18 -0.46 -2.79 0.00 0.00 177.10 175.38 3kal n ASN 210 N 5.19 2.03 -0.05 -4.21 6.94 -1.26 -4.86 115.26 119.04 3kal n ASN 210 Ca -0.06 -3.48 -0.12 0.00 -0.02 0.00 0.00 54.58 50.91 3kal n ASN 210 Cb 0.50 -0.48 -0.06 0.00 -2.36 0.00 0.00 39.78 37.39 3kal n ASN 210 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3kal h ALA 211 N 0.48 0.23 -0.69 -2.53 0.00 -1.78 -0.72 119.26 114.24 3kal h ALA 211 Ca -0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3kal h ALA 211 Cb 1.00 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 3kal h ALA 211 CO 0.00 -0.09 0.29 -0.24 0.00 0.00 0.00 179.25 179.21 3kal h VAL 212 N 0.06 1.24 -0.75 0.00 3.04 -1.81 -1.34 116.25 116.69 3kal h VAL 212 Ca 0.05 -0.73 -0.03 0.00 -1.01 0.00 0.00 66.70 64.98 3kal h VAL 212 Cb 0.34 0.43 -0.03 0.00 -2.01 0.00 0.00 31.29 30.02 3kal h VAL 212 CO 0.01 0.29 0.33 0.44 -1.01 0.00 0.00 177.57 177.63 3kal h ASP 213 N 0.97 1.00 -0.50 3.17 3.32 -1.86 -0.14 116.42 122.38 3kal h ASP 213 Ca 0.23 -0.15 -0.07 0.00 0.02 0.00 0.00 57.03 57.06 3kal h ASP 213 Cb 0.18 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 3kal h ASP 213 CO -0.02 0.88 0.02 1.56 -1.72 0.00 0.00 179.24 179.95 3kal h GLN 214 N 1.06 0.87 -0.31 3.56 1.08 -0.90 -0.87 115.11 119.61 3kal h GLN 214 Ca 0.25 -0.27 -0.13 0.00 -1.45 0.00 0.00 58.65 57.06 3kal h GLN 214 Cb 0.16 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 3kal h GLN 214 CO -0.03 0.90 -0.33 0.77 -0.95 0.00 0.00 178.83 179.19 3kal h SER 215 N 0.74 0.69 -0.42 1.46 0.02 -1.09 -1.90 113.55 113.05 3kal h SER 215 Ca 0.14 -0.28 -0.08 0.00 -0.84 0.00 0.00 61.79 60.74 3kal h SER 215 Cb 0.49 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 3kal h SER 215 CO 0.02 0.97 -0.00 0.00 -1.14 0.00 0.00 176.83 176.68 3kal h ALA 216 N 1.08 1.07 -0.67 3.77 0.00 -0.78 -2.61 119.26 121.12 3kal h ALA 216 Ca 0.06 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 3kal h ALA 216 Cb 0.83 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3kal h ALA 216 CO 0.07 0.58 0.21 0.93 0.00 0.00 0.00 179.25 181.04 3kal h GLU 217 N 0.77 1.03 -0.17 0.00 4.39 -1.03 -0.81 114.58 118.75 3kal h GLU 217 Ca 0.15 -0.21 -0.12 0.00 0.34 0.00 0.00 59.36 59.53 3kal h GLU 217 Cb 0.46 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 3kal h GLU 217 CO 0.02 0.88 -0.34 0.00 -1.16 0.00 0.00 179.01 178.40 3kal h ALA 218 N 1.23 0.27 -0.01 3.43 0.00 -1.25 -1.34 119.26 121.59 3kal h ALA 218 Ca 0.22 -0.43 0.02 0.00 0.00 0.00 0.00 54.91 54.72 3kal h ALA 218 Cb 0.28 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3kal h ALA 218 CO -0.01 0.33 -0.13 -0.07 0.00 0.00 0.00 179.25 179.36 3kal h LEU 219 N 0.18 -0.39 -0.45 0.00 3.38 -1.35 -1.02 115.31 115.66 3kal h LEU 219 Ca 0.00 0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.08 3kal h LEU 219 Cb 0.94 0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.81 3kal h LEU 219 CO 0.08 -0.19 0.19 0.00 0.09 0.00 0.00 178.44 178.61 3kal h ALA 220 N 0.75 0.56 -0.44 1.53 0.00 -1.14 -1.73 119.26 118.77 3kal h ALA 220 Ca 0.05 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 3kal h ALA 220 Cb 0.28 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3kal h ALA 220 CO -0.14 -0.19 -0.25 0.87 0.00 0.00 0.00 179.25 179.55 3kal h LYS 221 N 0.38 0.93 -0.34 0.00 1.57 -1.14 -1.63 116.57 116.35 3kal h LYS 221 Ca 0.21 -0.41 0.02 0.00 -1.87 0.00 0.00 60.65 58.60 3kal h LYS 221 Cb 0.17 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 3kal h LYS 221 CO -0.18 1.07 0.18 0.00 -0.57 0.00 0.00 179.45 179.95 3kal h ALA 222 N 0.91 0.42 -0.84 3.86 0.00 -1.16 -0.36 119.26 122.09 3kal h ALA 222 Ca 0.10 0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.11 3kal h ALA 222 Cb 0.81 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.47 3kal h ALA 222 CO 0.07 -0.19 0.49 2.35 0.00 0.00 0.00 179.25 181.98 3kal h TRP 223 N 0.37 0.90 -0.78 0.00 7.01 -1.10 -0.33 115.95 122.02 3kal h TRP 223 Ca 0.14 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.15 3kal h TRP 223 Cb 0.04 -0.28 -0.04 0.00 -2.10 0.00 0.00 29.16 26.78 3kal h TRP 223 CO -0.09 0.38 0.41 0.77 -2.79 0.00 0.00 178.44 177.12 3kal h SER 224 N 0.84 0.98 -0.22 2.65 0.02 -1.07 -1.97 113.55 114.77 3kal h SER 224 Ca 0.40 -0.09 -0.15 0.00 -0.84 0.00 0.00 61.79 61.11 3kal h SER 224 Cb 0.34 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.64 3kal h SER 224 CO -0.24 0.80 -0.44 -0.33 -1.14 0.00 0.00 176.83 175.48 3kal h GLU 225 N 1.10 0.69 -0.90 3.45 4.39 0.34 -2.81 114.58 120.84 3kal h GLU 225 Ca 0.27 -0.45 -0.01 0.00 0.34 0.00 0.00 59.36 59.52 3kal h GLU 225 Cb 0.05 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.71 3kal h GLU 225 CO -0.04 1.07 0.53 -0.92 -1.16 0.00 0.00 179.01 178.49 3kal h TYR 226 N 0.40 1.20 -4.79 4.33 5.03 -1.09 -3.47 116.97 118.57 3kal h TYR 226 Ca 0.01 -0.01 -0.15 0.00 2.58 0.00 0.00 58.73 61.16 3kal h TYR 226 Cb 1.04 -0.39 0.12 0.00 1.55 0.00 0.00 36.73 39.05 3kal h TYR 226 CO 0.09 0.80 -0.51 -1.71 -1.32 0.00 0.00 178.16 175.51 3kal n ASN 227 N -4.38 -5.59 -3.67 -2.11 2.85 -0.75 -5.05 115.26 96.56 3kal n ASN 227 Ca 0.10 -0.43 -0.28 0.00 -0.11 0.00 0.00 54.58 53.86 3kal n ASN 227 Cb 0.07 -4.01 -0.16 0.00 1.24 0.00 0.00 39.78 36.91 3kal n ASN 227 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 3kal s ASN 228 N -3.18 2.97 0.00 1.20 3.84 -1.26 -5.05 114.94 113.45 3kal s ASN 228 Ca 0.27 -0.92 0.22 0.00 0.21 0.00 0.00 52.86 52.65 3kal s ASN 228 Cb -0.04 -0.49 1.14 0.00 -0.55 0.00 0.00 41.25 41.32 3kal s ASN 228 CO 0.55 -0.35 1.73 -0.81 -2.79 0.00 0.00 177.10 175.43 3kal n PRO 229 N 5.12 0.32 0.00 0.43 -0.04 -1.26 -2.39 135.00 137.19 3kal n PRO 229 Ca -0.07 0.07 0.10 0.00 -0.04 0.00 0.00 63.50 63.57 3kal n PRO 229 Cb 0.46 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.37 3kal n PRO 229 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3kal n ARG 230 N -1.28 0.70 -1.80 0.54 1.74 -1.26 -4.97 116.66 110.33 3kal n ARG 230 Ca 0.11 -0.53 -0.33 0.00 -0.77 0.00 0.00 57.85 56.32 3kal n ARG 230 Cb 0.18 -1.48 0.04 0.00 -1.02 0.00 0.00 32.46 30.18 3kal n ARG 230 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kal s ALA 231 N -2.70 2.49 0.44 7.54 0.00 -1.01 -4.75 121.76 123.78 3kal s ALA 231 Ca 0.13 0.58 0.06 0.00 0.00 0.00 0.00 51.96 52.73 3kal s ALA 231 Cb 0.17 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.91 3kal s ALA 231 CO 0.70 -1.23 0.06 0.00 0.00 0.00 0.00 175.76 175.29 3kal s ALA 232 N -2.28 3.53 -0.24 0.00 0.00 0.05 -4.67 121.76 118.16 3kal s ALA 232 Ca 0.68 -1.77 -0.11 0.00 0.00 0.00 0.00 51.96 50.75 3kal s ALA 232 Cb -0.21 -0.02 -0.05 0.00 0.00 0.00 0.00 23.12 22.85 3kal s ALA 232 CO 0.40 -0.12 0.19 0.42 0.00 0.00 0.00 175.76 176.65 3kal s ILE 233 N -2.73 5.34 -0.22 0.00 1.01 0.12 -0.59 121.20 124.13 3kal s ILE 233 Ca 0.29 0.24 -0.15 0.00 0.00 0.00 0.00 60.65 61.03 3kal s ILE 233 Cb 0.06 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.97 3kal s ILE 233 CO 0.16 0.33 0.37 -0.22 0.00 0.00 0.00 174.94 175.58 3kal s LEU 234 N 1.11 4.13 -0.22 2.97 2.96 0.43 -0.86 118.68 129.20 3kal s LEU 234 Ca 0.09 0.44 -0.08 0.00 -0.22 0.00 0.00 54.13 54.36 3kal s LEU 234 Cb -0.14 -2.46 -0.04 0.00 0.50 0.00 0.00 46.19 44.05 3kal s LEU 234 CO 0.05 -0.08 0.09 0.54 -1.32 0.00 0.00 176.35 175.63 3kal s VAL 235 N 1.41 4.80 -0.26 1.68 0.11 0.98 -0.58 120.40 128.53 3kal s VAL 235 Ca 0.17 -0.02 -0.15 0.00 -2.93 0.00 0.00 61.98 59.06 3kal s VAL 235 Cb -0.15 -3.21 -0.04 0.00 -1.53 0.00 0.00 36.38 31.45 3kal s VAL 235 CO 0.08 0.38 0.37 -0.69 -3.33 0.00 0.00 175.10 171.91 3kal s VAL 236 N 1.00 5.19 0.31 2.04 1.01 0.08 -2.09 120.40 127.93 3kal s VAL 236 Ca 0.05 0.57 0.05 0.00 0.00 0.00 0.00 61.98 62.65 3kal s VAL 236 Cb -0.14 -3.69 -0.06 0.00 0.00 0.00 0.00 36.38 32.49 3kal s VAL 236 CO 0.03 0.18 -0.00 0.68 0.00 0.00 0.00 175.10 175.99 3kal s VAL 237 N 1.93 1.46 0.51 2.92 -7.23 -0.67 -0.21 120.40 119.11 3kal s VAL 237 Ca 0.15 -2.06 -0.03 0.00 -1.81 0.00 0.00 61.98 58.23 3kal s VAL 237 Cb -0.16 -2.63 -0.01 0.00 0.56 0.00 0.00 36.38 34.15 3kal s VAL 237 CO 0.09 -0.16 0.79 -1.10 -0.31 0.00 0.00 175.10 174.42 3kal s GLN 238 N -3.80 3.12 0.23 4.82 -0.21 -1.26 -4.06 119.66 118.50 3kal s GLN 238 Ca 0.33 -0.13 -0.05 0.00 0.02 0.00 0.00 55.36 55.53 3kal s GLN 238 Cb 0.06 -2.40 0.22 0.00 1.00 0.00 0.00 33.01 31.89 3kal s GLN 238 CO 0.14 -0.42 1.71 0.28 -2.12 0.00 0.00 175.29 174.88 3kal h VAL 239 N 0.13 1.25 -3.33 1.09 2.07 -1.97 -3.40 116.25 112.10 3kal h VAL 239 Ca -0.46 -1.06 -0.65 0.00 0.82 0.00 0.00 66.70 65.35 3kal h VAL 239 Cb 1.24 0.82 -0.33 0.00 -1.52 0.00 0.00 31.29 31.49 3kal h VAL 239 CO 0.60 0.38 -0.87 -0.70 0.02 0.00 0.00 177.57 177.00 3kal s GLU 240 N -5.03 2.81 -0.39 1.57 2.56 -1.26 -4.78 118.70 114.19 3kal s GLU 240 Ca -0.10 -0.79 0.03 0.00 0.00 0.00 0.00 54.97 54.10 3kal s GLU 240 Cb 0.14 -2.17 0.16 0.00 2.00 0.00 0.00 34.13 34.26 3kal s GLU 240 CO 0.83 0.12 0.37 -2.00 -0.56 0.00 0.00 175.26 174.02 3kal s GLU 241 N 0.49 0.73 0.54 4.30 2.56 -0.03 -4.96 118.70 122.33 3kal s GLU 241 Ca -0.16 -1.25 0.32 0.00 0.00 0.00 0.00 54.97 53.87 3kal s GLU 241 Cb -0.17 -0.91 1.49 0.00 2.00 0.00 0.00 34.13 36.53 3kal s GLU 241 CO 0.06 -1.26 2.05 0.00 -0.56 0.00 0.00 175.26 175.55 3kal h ARG 242 N 6.52 0.00 -0.86 4.30 3.08 -1.80 -2.53 114.38 123.09 3kal h ARG 242 Ca 0.10 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.03 3kal h ARG 242 Cb 1.01 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.99 3kal h ARG 242 CO 0.23 0.08 0.15 -1.71 -1.07 0.00 0.00 179.97 177.65 3kal n ASN 243 N -3.33 3.61 -0.07 7.04 5.15 -1.26 -1.13 115.26 125.27 3kal n ASN 243 Ca -0.01 -2.69 0.15 0.00 -0.60 0.00 0.00 54.58 51.43 3kal n ASN 243 Cb 0.27 -0.64 0.56 0.00 -0.53 0.00 0.00 39.78 39.44 3kal n ASN 243 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kal h MET 244 N 1.59 0.26 -0.70 1.20 -0.00 -1.83 -3.14 114.93 112.32 3kal h MET 244 Ca 0.15 -0.02 0.01 0.00 -0.00 0.00 0.00 59.70 59.84 3kal h MET 244 Cb 1.65 -0.06 -0.03 0.00 -0.00 0.00 0.00 31.60 33.15 3kal h MET 244 CO 0.43 0.18 0.46 1.88 -0.00 0.00 0.00 176.91 179.85 3kal h TYR 245 N 0.27 0.88 -0.45 -0.10 -1.99 -1.87 0.16 116.97 113.89 3kal h TYR 245 Ca 0.29 0.02 0.00 0.00 2.00 0.00 0.00 58.73 61.04 3kal h TYR 245 Cb 0.76 -0.30 -0.02 0.00 2.00 0.00 0.00 36.73 39.17 3kal h TYR 245 CO -0.00 0.56 0.29 1.49 -0.00 0.00 0.00 178.16 180.50 3kal h GLU 246 N 0.95 0.59 -0.30 4.88 4.81 -1.89 0.33 114.58 123.94 3kal h GLU 246 Ca 0.26 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.48 3kal h GLU 246 Cb -0.10 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.11 3kal h GLU 246 CO -0.05 0.40 -0.25 0.37 -0.73 0.00 0.00 179.01 178.74 3kal h GLN 247 N 0.60 -0.09 -0.83 1.92 5.75 -1.38 -1.80 115.11 119.29 3kal h GLN 247 Ca 0.16 0.01 0.14 0.00 -0.15 0.00 0.00 58.65 58.81 3kal h GLN 247 Cb -0.06 0.02 -0.09 0.00 1.07 0.00 0.00 27.48 28.42 3kal h GLN 247 CO -0.03 -0.06 0.41 0.45 -2.65 0.00 0.00 178.83 176.95 3kal h HIS 248 N -0.09 0.72 -0.42 3.99 3.86 -0.48 -2.10 115.15 120.64 3kal h HIS 248 Ca 0.05 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.27 3kal h HIS 248 Cb 0.22 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.48 3kal h HIS 248 CO -0.81 0.17 0.16 -0.92 0.86 0.00 0.00 177.93 177.40 3kal h TYR 249 N 0.60 0.64 -0.38 2.45 5.03 -0.05 0.32 116.97 125.58 3kal h TYR 249 Ca 0.45 -0.05 -0.03 0.00 2.58 0.00 0.00 58.73 61.68 3kal h TYR 249 Cb 0.62 -0.19 -0.02 0.00 1.55 0.00 0.00 36.73 38.70 3kal h TYR 249 CO -0.10 0.56 0.13 0.82 -1.32 0.00 0.00 178.16 178.25 3kal h ILE 250 N 0.53 1.20 -0.70 1.81 2.04 -0.70 -0.92 117.51 120.77 3kal h ILE 250 Ca 0.14 -0.65 -0.05 0.00 1.00 0.00 0.00 64.86 65.30 3kal h ILE 250 Cb 0.20 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 3kal h ILE 250 CO -0.01 0.23 0.23 0.28 0.00 0.00 0.00 178.15 178.88 3kal h SER 251 N 0.46 0.98 -0.51 1.72 0.02 -1.20 0.24 113.55 115.28 3kal h SER 251 Ca 0.12 -0.17 0.04 0.00 -0.84 0.00 0.00 61.79 60.95 3kal h SER 251 Cb 0.23 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.47 3kal h SER 251 CO -0.01 0.90 0.27 0.00 -1.14 0.00 0.00 176.83 176.85 3kal h ALA 252 N 1.23 0.65 -0.31 3.77 0.00 -0.07 0.11 119.26 124.63 3kal h ALA 252 Ca 0.23 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.19 3kal h ALA 252 Cb 0.26 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3kal h ALA 252 CO -0.01 -0.07 0.09 -0.07 0.00 0.00 0.00 179.25 179.19 3kal h LEU 253 N 0.52 0.09 -0.40 0.00 3.38 -0.72 0.25 115.31 118.42 3kal h LEU 253 Ca 0.22 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.29 3kal h LEU 253 Cb 0.11 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 3kal h LEU 253 CO -0.14 0.08 0.08 -0.07 0.09 0.00 0.00 178.44 178.48 3kal h LEU 254 N 0.22 0.01 0.15 1.67 3.38 -0.59 -0.06 115.31 120.08 3kal h LEU 254 Ca 0.14 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 3kal h LEU 254 Cb 0.12 0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3kal h LEU 254 CO -0.16 0.04 -0.07 -0.09 0.09 0.00 0.00 178.44 178.25 3kal h ARG 255 N 0.21 -0.19 0.04 1.13 2.43 -0.81 0.95 114.38 118.13 3kal h ARG 255 Ca 0.20 0.01 -0.23 0.00 -0.81 0.00 0.00 59.98 59.15 3kal h ARG 255 Cb 0.24 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3kal h ARG 255 CO -0.26 0.24 -1.03 0.93 -1.51 0.00 0.00 179.97 178.34 3kal h GLU 256 N -0.72 0.20 0.00 0.20 4.39 -0.49 -2.62 114.58 115.54 3kal h GLU 256 Ca -0.02 -0.28 -0.34 0.00 0.34 0.00 0.00 59.36 59.06 3kal h GLU 256 Cb 0.52 0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 29.20 3kal h GLU 256 CO 0.03 1.06 -2.29 1.17 -1.16 0.00 0.00 179.01 177.83 3kal n LYS 257 N -3.57 0.56 0.00 2.33 4.81 -0.05 -4.58 118.16 117.66 3kal n LYS 257 Ca -0.05 0.14 0.08 0.00 -0.87 0.00 0.00 58.31 57.60 3kal n LYS 257 Cb 0.90 -1.44 -0.06 0.00 0.02 0.00 0.00 35.03 34.45 3kal n LYS 257 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 3kal n HIS 258 N -3.22 0.00 -3.70 5.64 8.25 -0.88 -5.01 115.22 116.30 3kal n HIS 258 Ca -0.40 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 56.84 3kal n HIS 258 Cb 0.92 0.00 0.03 0.00 1.12 0.00 0.00 29.99 32.06 3kal n HIS 258 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3kal n HIS 259 N -1.01 -1.93 -4.40 4.41 8.25 0.13 -4.95 115.22 115.72 3kal n HIS 259 Ca 0.04 0.85 -0.32 0.00 -0.26 0.00 0.00 57.72 58.03 3kal n HIS 259 Cb 0.28 -4.41 -0.16 0.00 1.12 0.00 0.00 29.99 26.81 3kal n HIS 259 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3kal s ILE 260 N -3.65 1.88 0.33 1.59 1.01 -0.09 -4.96 121.20 117.32 3kal s ILE 260 Ca 0.02 -0.86 -0.29 0.00 0.00 0.00 0.00 60.65 59.53 3kal s ILE 260 Cb -0.01 -1.70 -0.10 0.00 0.01 0.00 0.00 42.46 40.66 3kal s ILE 260 CO 0.81 0.51 1.33 -0.60 0.00 0.00 0.00 174.94 176.99 3kal s ARG 261 N 1.06 4.33 0.09 2.79 3.52 -1.26 -2.81 118.95 126.67 3kal s ARG 261 Ca -0.02 2.26 0.10 0.00 -0.13 0.00 0.00 55.73 57.93 3kal s ARG 261 Cb -0.14 -3.06 -0.04 0.00 -1.56 0.00 0.00 34.95 30.15 3kal s ARG 261 CO -0.06 -0.23 -0.24 -1.12 -0.81 0.00 0.00 175.30 172.84 3kal s SER 262 N -0.42 3.46 0.06 -2.12 0.01 -1.26 -0.70 113.70 112.73 3kal s SER 262 Ca 0.50 -0.63 0.07 0.00 1.31 0.00 0.00 55.95 57.20 3kal s SER 262 Cb -0.41 -0.36 -0.03 0.00 0.21 0.00 0.00 66.02 65.44 3kal s SER 262 CO 0.54 0.21 -0.18 0.27 0.41 0.00 0.00 173.24 174.48 3kal s ILE 263 N -0.99 1.49 -0.11 1.44 -4.36 -0.04 -4.91 121.20 113.71 3kal s ILE 263 Ca 0.14 -1.24 0.01 0.00 -0.26 0.00 0.00 60.65 59.30 3kal s ILE 263 Cb -0.10 -1.33 -0.01 0.00 1.25 0.00 0.00 42.46 42.26 3kal s ILE 263 CO 0.06 0.05 -0.15 0.00 0.24 0.00 0.00 174.94 175.15 3kal s ARG 264 N -1.39 3.21 -0.03 0.37 1.70 -1.26 -0.01 118.95 121.54 3kal s ARG 264 Ca 0.05 -0.71 -0.03 0.00 -0.47 0.00 0.00 55.73 54.57 3kal s ARG 264 Cb -0.09 -2.55 0.01 0.00 -0.57 0.00 0.00 34.95 31.74 3kal s ARG 264 CO 0.02 0.27 0.09 0.15 -1.08 0.00 0.00 175.30 174.75 3kal s LYS 265 N 0.18 0.15 0.72 3.89 -0.14 -0.89 -4.98 119.74 118.68 3kal s LYS 265 Ca -0.08 0.04 -0.11 0.00 -1.36 0.00 0.00 55.97 54.45 3kal s LYS 265 Cb -0.15 0.07 0.03 0.00 -1.68 0.00 0.00 37.83 36.09 3kal s LYS 265 CO 0.05 -0.02 1.09 0.95 -0.76 0.00 0.00 175.35 176.66 3kal s THR 266 N -0.15 3.55 0.31 2.17 -4.23 -1.26 -1.67 115.64 114.36 3kal s THR 266 Ca -0.02 0.50 0.08 0.00 -1.18 0.00 0.00 61.69 61.07 3kal s THR 266 Cb -0.02 -3.39 0.31 0.00 1.34 0.00 0.00 72.50 70.74 3kal s THR 266 CO 0.00 -0.66 1.70 -0.07 -0.54 0.00 0.00 174.62 175.05 3kal h LEU 267 N -0.76 0.48 -0.45 4.79 3.38 -1.89 -1.20 115.31 119.65 3kal h LEU 267 Ca -0.45 0.16 -0.13 0.00 0.09 0.00 0.00 57.88 57.54 3kal h LEU 267 Cb 1.25 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 3kal h LEU 267 CO 0.61 0.01 -0.23 0.00 0.09 0.00 0.00 178.44 178.92 3kal h THR 268 N 0.44 1.27 -0.51 0.22 1.03 -1.89 -1.31 112.91 112.15 3kal h THR 268 Ca 0.62 -1.39 -0.04 0.00 -0.01 0.00 0.00 66.41 65.59 3kal h THR 268 Cb 1.24 1.19 -0.02 0.00 -1.07 0.00 0.00 68.15 69.49 3kal h THR 268 CO -0.53 0.48 0.16 -0.33 -0.01 0.00 0.00 175.52 175.28 3kal h GLU 269 N 0.80 0.76 -0.80 0.00 5.08 -1.79 -1.34 114.58 117.29 3kal h GLU 269 Ca 0.10 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3kal h GLU 269 Cb 0.81 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.89 3kal h GLU 269 CO 0.07 0.66 0.47 0.82 -1.00 0.00 0.00 179.01 180.03 3kal h ILE 270 N 0.75 1.23 -0.06 3.13 2.04 -0.85 0.12 117.51 123.86 3kal h ILE 270 Ca 0.17 -0.53 -0.14 0.00 1.00 0.00 0.00 64.86 65.36 3kal h ILE 270 Cb 0.22 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 3kal h ILE 270 CO -0.01 0.25 -0.61 -0.78 0.00 0.00 0.00 178.15 177.00 3kal h ASP 271 N 1.11 0.25 0.16 1.72 3.58 -0.69 0.24 116.42 122.80 3kal h ASP 271 Ca 0.29 -0.15 -0.31 0.00 0.42 0.00 0.00 57.03 57.28 3kal h ASP 271 Cb -0.02 -0.07 0.03 0.00 1.72 0.00 0.00 39.33 40.99 3kal h ASP 271 CO -0.05 0.80 -1.31 1.56 -2.88 0.00 0.00 179.24 177.36 3kal h GLN 272 N 0.17 0.60 -0.02 0.28 4.20 -0.65 -3.37 115.11 116.32 3kal h GLN 272 Ca -0.01 -0.86 0.00 0.00 0.06 0.00 0.00 58.65 57.84 3kal h GLN 272 Cb 1.11 0.30 0.00 0.00 0.30 0.00 0.00 27.48 29.18 3kal h GLN 272 CO 0.09 1.40 -0.00 0.39 -0.67 0.00 0.00 178.83 180.04 3kal n GLU 273 N -3.78 0.97 -3.81 1.46 1.02 0.37 -5.04 120.64 111.83 3kal n GLU 273 Ca -0.15 -1.34 -0.24 0.00 -0.02 0.00 0.00 57.16 55.41 3kal n GLU 273 Cb 1.02 -1.27 -0.02 0.00 -0.02 0.00 0.00 31.44 31.14 3kal n GLU 273 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3kal s GLY 274 N -1.19 1.51 0.04 0.62 0.00 0.84 -1.12 107.32 108.03 3kal s GLY 274 Ca 0.17 -1.03 -0.27 0.00 0.00 0.00 0.00 44.72 43.59 3kal s GLY 274 CO 0.18 -1.02 0.79 -1.59 0.00 0.00 0.00 173.10 171.47 3kal s LYS 275 N -3.65 0.97 -0.23 2.90 -2.85 -0.43 -4.93 119.74 111.52 3kal s LYS 275 Ca 0.36 -0.33 -0.13 0.00 -1.00 0.00 0.00 55.97 54.87 3kal s LYS 275 Cb -0.10 0.45 -0.04 0.00 -2.06 0.00 0.00 37.83 36.07 3kal s LYS 275 CO 0.30 -0.42 0.28 0.42 0.10 0.00 0.00 175.35 176.03 3kal s ILE 276 N -3.22 5.28 0.77 3.79 1.01 -1.26 -0.42 121.20 127.14 3kal s ILE 276 Ca 0.03 0.44 -0.11 0.00 0.00 0.00 0.00 60.65 61.01 3kal s ILE 276 Cb -0.01 -3.61 0.05 0.00 0.01 0.00 0.00 42.46 38.90 3kal s ILE 276 CO -0.10 0.29 1.09 -0.76 0.00 0.00 0.00 174.94 175.46 3kal s LEU 277 N 1.25 2.99 0.48 2.97 1.43 0.26 -4.86 118.68 123.19 3kal s LEU 277 Ca 0.13 1.76 0.22 0.00 -1.03 0.00 0.00 54.13 55.21 3kal s LEU 277 Cb -0.14 -4.46 1.26 0.00 0.03 0.00 0.00 46.19 42.87 3kal s LEU 277 CO 0.06 -1.99 1.93 -0.65 0.23 0.00 0.00 176.35 175.93 3kal h PRO 278 N -1.10 0.19 0.00 1.29 0.11 -1.99 0.22 132.00 130.73 3kal h PRO 278 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3kal h PRO 278 Cb 1.23 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3kal h PRO 278 CO 0.52 0.13 0.00 -0.40 -0.21 0.00 0.00 178.00 178.04 3kal n ASP 279 N -4.41 0.00 0.00 -2.05 5.68 -1.26 -4.82 116.55 109.69 3kal n ASP 279 Ca 0.15 -1.78 0.00 0.00 -0.50 0.00 0.00 54.79 52.66 3kal n ASP 279 Cb 0.67 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.65 3kal n ASP 279 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kal n GLY 280 N 0.55 0.74 3.64 6.12 0.00 0.78 -4.99 105.19 112.04 3kal n GLY 280 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 3kal n GLY 280 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kal s THR 281 N -2.71 4.68 0.25 2.61 2.01 -1.25 -1.47 115.64 119.75 3kal s THR 281 Ca 0.00 1.66 -0.31 0.00 0.31 0.00 0.00 61.69 63.35 3kal s THR 281 Cb 0.00 -4.27 -0.12 0.00 0.01 0.00 0.00 72.50 68.12 3kal s THR 281 CO 0.00 -0.27 1.65 -0.11 -0.69 0.00 0.00 174.62 175.19 3kal n LEU 282 N 6.42 4.10 -3.97 4.42 7.94 -1.26 -0.58 117.00 134.07 3kal n LEU 282 Ca 0.09 1.11 -0.23 0.00 -1.11 0.00 0.00 56.01 55.87 3kal n LEU 282 Cb 0.47 -1.57 -0.16 0.00 0.53 0.00 0.00 43.42 42.68 3kal n LEU 282 CO 0.53 0.13 -0.44 -0.55 -1.11 0.00 0.00 177.39 175.94 3kal s SER 283 N 0.81 1.40 -0.11 1.96 0.15 0.44 -1.46 113.70 116.90 3kal s SER 283 Ca 0.70 -0.22 0.02 0.00 0.70 0.00 0.00 55.95 57.14 3kal s SER 283 Cb -0.51 -0.66 0.01 0.00 -1.71 0.00 0.00 66.02 63.15 3kal s SER 283 CO 0.41 -0.00 -0.16 -0.69 1.20 0.00 0.00 173.24 174.00 3kal s VAL 284 N 0.77 1.51 -1.28 4.45 1.01 -0.17 -1.31 120.40 125.38 3kal s VAL 284 Ca -0.13 -0.66 -0.11 0.00 0.00 0.00 0.00 61.98 61.08 3kal s VAL 284 Cb -0.15 -1.38 0.09 0.00 0.00 0.00 0.00 36.38 34.95 3kal s VAL 284 CO 0.02 0.44 0.49 -0.67 0.00 0.00 0.00 175.10 175.38 3kal n ASP 285 N 4.14 -3.21 0.00 3.32 2.03 -0.27 -0.94 116.55 121.62 3kal n ASP 285 Ca -0.19 -0.47 0.00 0.00 0.52 0.00 0.00 54.79 54.64 3kal n ASP 285 Cb 0.51 -2.68 0.00 0.00 -0.72 0.00 0.00 41.12 38.24 3kal n ASP 285 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kal n GLY 286 N -1.12 0.75 3.27 0.27 0.00 -1.26 -5.04 105.19 102.05 3kal n GLY 286 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 3kal n GLY 286 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3kal s GLN 287 N -0.47 3.26 0.30 1.61 2.00 -0.12 -5.09 119.66 121.16 3kal s GLN 287 Ca 0.00 -0.71 -0.29 0.00 -2.00 0.00 0.00 55.36 52.36 3kal s GLN 287 Cb 0.00 -2.77 -0.10 0.00 0.80 0.00 0.00 33.01 30.94 3kal s GLN 287 CO 0.00 -0.09 1.44 0.00 -0.50 0.00 0.00 175.29 176.14 3kal s ALA 288 N 1.12 3.60 -0.19 1.58 0.00 -1.26 -1.00 121.76 125.60 3kal s ALA 288 Ca 0.01 1.40 -0.01 0.00 0.00 0.00 0.00 51.96 53.36 3kal s ALA 288 Cb -0.14 -3.56 0.01 0.00 0.00 0.00 0.00 23.12 19.42 3kal s ALA 288 CO -0.03 -0.81 -0.15 0.42 0.00 0.00 0.00 175.76 175.19 3kal s ILE 289 N -0.53 2.53 -0.27 0.00 -1.09 -0.53 -0.77 121.20 120.53 3kal s ILE 289 Ca 0.56 -0.78 0.17 0.00 -2.23 0.00 0.00 60.65 58.37 3kal s ILE 289 Cb -0.43 -2.10 -0.24 0.00 -1.58 0.00 0.00 42.46 38.11 3kal s ILE 289 CO 0.51 0.50 0.49 -1.54 -1.23 0.00 0.00 174.94 173.67 3kal n SER 290 N 4.62 0.95 -4.13 3.58 3.41 0.24 -4.42 113.62 117.86 3kal n SER 290 Ca -0.20 -0.29 -0.24 0.00 -0.26 0.00 0.00 58.87 57.89 3kal n SER 290 Cb 0.50 1.54 -0.15 0.00 -0.26 0.00 0.00 64.21 65.84 3kal n SER 290 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3kal s VAL 291 N -3.01 1.22 -0.18 -3.33 1.01 -1.21 -0.11 120.40 114.80 3kal s VAL 291 Ca -0.02 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.31 3kal s VAL 291 Cb 0.12 -1.03 0.03 0.00 0.00 0.00 0.00 36.38 35.50 3kal s VAL 291 CO 0.71 0.35 -0.16 -0.69 0.00 0.00 0.00 175.10 175.32 3kal s VAL 292 N -0.28 1.84 -0.27 2.92 1.01 0.31 -0.43 120.40 125.50 3kal s VAL 292 Ca 0.04 -0.92 -0.07 0.00 0.00 0.00 0.00 61.98 61.03 3kal s VAL 292 Cb -0.07 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 3kal s VAL 292 CO -0.00 0.39 0.07 -0.47 0.00 0.00 0.00 175.10 175.09 3kal s TYR 293 N 1.35 3.11 -0.17 5.22 5.04 0.25 -0.25 117.35 131.90 3kal s TYR 293 Ca 0.02 -0.73 -0.20 0.00 -2.44 0.00 0.00 57.07 53.73 3kal s TYR 293 Cb -0.14 -2.24 -0.03 0.00 0.35 0.00 0.00 41.96 39.89 3kal s TYR 293 CO -0.11 -0.48 0.58 -0.06 -1.34 0.00 0.00 175.55 174.14 3kal s PHE 294 N 1.55 3.43 -0.25 4.97 0.08 -0.62 -0.74 117.98 126.40 3kal s PHE 294 Ca 0.05 0.92 0.10 0.00 0.12 0.00 0.00 56.93 58.11 3kal s PHE 294 Cb -0.16 -2.71 0.45 0.00 -0.57 0.00 0.00 43.02 40.03 3kal s PHE 294 CO 0.03 -0.05 1.31 0.54 -0.10 0.00 0.00 175.22 176.94 3kal n ARG 295 N 4.54 1.84 -3.63 0.44 5.12 0.71 -3.43 116.66 122.25 3kal n ARG 295 Ca -0.03 -3.35 0.01 0.00 -1.93 0.00 0.00 57.85 52.55 3kal n ARG 295 Cb 0.50 -1.75 -0.01 0.00 -1.16 0.00 0.00 32.46 30.05 3kal n ARG 295 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3kal s ALA 296 N -3.28 -2.17 0.00 7.54 0.00 -1.16 -4.08 121.76 118.61 3kal s ALA 296 Ca 0.42 0.67 0.00 0.00 0.00 0.00 0.00 51.96 53.05 3kal s ALA 296 Cb 0.39 0.37 0.00 0.00 0.00 0.00 0.00 23.12 23.88 3kal s ALA 296 CO -0.04 -1.03 0.00 0.41 0.00 0.00 0.00 175.76 175.10 3kal n GLY 297 N -0.47 0.73 0.86 0.00 0.00 -1.26 -4.87 105.19 100.18 3kal n GLY 297 Ca -0.08 -0.26 0.08 0.00 0.00 0.00 0.00 46.02 45.76 3kal n GLY 297 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3kal n TYR 298 N -2.49 0.50 -3.89 1.61 4.11 -1.26 -4.91 117.16 110.83 3kal n TYR 298 Ca 0.00 -0.37 -0.12 0.00 -0.00 0.00 0.00 57.90 57.42 3kal n TYR 298 Cb 0.00 -0.01 -0.13 0.00 -0.00 0.00 0.00 39.34 39.19 3kal n TYR 298 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.86 176.78 3kal s THR 299 N -1.10 0.02 0.62 -3.48 -1.32 -1.26 -4.27 115.64 104.84 3kal s THR 299 Ca 0.30 -0.16 0.32 0.00 -1.21 0.00 0.00 61.69 60.94 3kal s THR 299 Cb 0.17 -0.06 0.37 0.00 -1.51 0.00 0.00 72.50 71.46 3kal s THR 299 CO 0.22 -0.09 2.13 1.55 -2.21 0.00 0.00 174.62 176.23 3kal h PRO 300 N 5.88 0.00 0.00 7.08 0.13 -1.96 -0.90 132.00 142.23 3kal h PRO 300 Ca -0.25 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.86 3kal h PRO 300 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 3kal h PRO 300 CO 0.49 0.00 -0.09 0.87 -0.23 0.00 0.00 178.00 179.04 3kal h LYS 301 N 0.00 0.00 0.00 0.86 1.57 -2.00 -2.73 116.57 114.27 3kal h LYS 301 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3kal h LYS 301 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3kal h LYS 301 CO -0.00 0.09 0.00 -0.25 -0.57 0.00 0.00 179.45 178.72 3kal n ASP 302 N -3.62 0.18 -3.26 0.86 8.00 -0.34 -4.16 116.55 114.20 3kal n ASP 302 Ca -0.02 0.52 -0.30 0.00 0.71 0.00 0.00 54.79 55.71 3kal n ASP 302 Cb 0.20 -0.57 -0.05 0.00 -0.02 0.00 0.00 41.12 40.69 3kal n ASP 302 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3kal n TYR 303 N -1.67 3.66 0.32 1.24 4.01 -1.03 -4.86 117.16 118.83 3kal n TYR 303 Ca 0.06 -3.82 0.20 0.00 -0.16 0.00 0.00 57.90 54.18 3kal n TYR 303 Cb 0.34 -0.64 1.08 0.00 -0.31 0.00 0.00 39.34 39.81 3kal n TYR 303 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3kal h PRO 304 N 3.72 0.00 -4.28 -0.72 0.13 -1.75 -3.46 132.00 125.64 3kal h PRO 304 Ca 0.20 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 65.09 3kal h PRO 304 Cb 0.55 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.57 3kal h PRO 304 CO 0.90 0.01 -0.36 -1.54 -0.23 0.00 0.00 178.00 176.78 3kal s SER 305 N -5.57 0.54 0.60 1.44 1.04 -1.26 -5.04 113.70 105.46 3kal s SER 305 Ca -0.05 -1.36 0.34 0.00 0.48 0.00 0.00 55.95 55.36 3kal s SER 305 Cb 0.14 0.54 1.96 0.00 0.10 0.00 0.00 66.02 68.75 3kal s SER 305 CO 0.47 -1.07 2.26 -0.33 0.98 0.00 0.00 173.24 175.55 3kal h GLU 306 N 2.32 0.00 -0.64 4.02 4.39 -2.01 -3.19 114.58 119.47 3kal h GLU 306 Ca -0.30 0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.52 3kal h GLU 306 Cb 1.24 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.77 3kal h GLU 306 CO 0.42 0.02 -0.27 0.77 -1.16 0.00 0.00 179.01 178.79 3kal h SER 307 N 0.00 -0.95 0.06 1.42 0.02 -1.97 0.55 113.55 112.68 3kal h SER 307 Ca -0.00 0.22 -0.12 0.00 -0.84 0.00 0.00 61.79 61.05 3kal h SER 307 Cb 0.07 0.52 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 3kal h SER 307 CO 0.00 -0.27 -0.39 -0.33 -1.14 0.00 0.00 176.83 174.69 3kal h GLU 308 N -0.09 0.44 -0.35 3.45 3.07 -1.81 0.15 114.58 119.43 3kal h GLU 308 Ca 0.28 -0.21 -0.13 0.00 -0.50 0.00 0.00 59.36 58.79 3kal h GLU 308 Cb 0.54 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.43 3kal h GLU 308 CO -0.70 0.77 -0.31 -1.49 -1.40 0.00 0.00 179.01 175.87 3kal h TRP 309 N 0.37 0.89 -0.20 4.33 4.06 -1.58 -1.52 115.95 122.31 3kal h TRP 309 Ca 0.03 -0.23 -0.06 0.00 2.06 0.00 0.00 58.89 60.69 3kal h TRP 309 Cb 0.85 -0.20 -0.00 0.00 -1.00 0.00 0.00 29.16 28.81 3kal h TRP 309 CO 0.03 0.98 -0.10 0.00 -3.56 0.00 0.00 178.44 175.78 3kal h ARG 310 N 0.65 0.41 -0.54 0.49 3.08 -0.43 -1.42 114.38 116.62 3kal h ARG 310 Ca 0.07 -0.18 0.10 0.00 0.07 0.00 0.00 59.98 60.04 3kal h ARG 310 Cb 0.85 -0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.80 3kal h ARG 310 CO 0.07 0.71 0.05 0.00 -1.07 0.00 0.00 179.97 179.74 3kal h ALA 311 N 0.69 0.56 0.08 0.04 0.00 -0.68 0.07 119.26 120.02 3kal h ALA 311 Ca 0.04 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3kal h ALA 311 Cb 0.59 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 3kal h ALA 311 CO 0.03 -0.36 -0.05 -0.09 0.00 0.00 0.00 179.25 178.79 3kal h ARG 312 N 0.17 -0.12 -0.61 0.00 9.65 -1.02 -1.82 114.38 120.62 3kal h ARG 312 Ca 0.28 0.01 0.04 0.00 -1.10 0.00 0.00 59.98 59.20 3kal h ARG 312 Cb 0.41 0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 28.98 3kal h ARG 312 CO -0.41 -0.08 0.36 1.25 2.80 0.00 0.00 179.97 183.89 3kal h LEU 313 N -0.12 0.57 -0.22 3.80 5.85 -1.05 -2.21 115.31 121.93 3kal h LEU 313 Ca -0.01 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.77 3kal h LEU 313 Cb 0.10 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 3kal h LEU 313 CO 0.01 0.39 -0.08 0.25 -0.34 0.00 0.00 178.44 178.67 3kal h LEU 314 N 0.70 -0.27 -0.64 2.25 5.85 -0.74 -0.09 115.31 122.37 3kal h LEU 314 Ca 0.26 0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.96 3kal h LEU 314 Cb 0.08 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 3kal h LEU 314 CO -0.13 -0.10 0.01 0.24 -0.34 0.00 0.00 178.44 178.11 3kal h MET 315 N -0.04 1.07 -0.61 1.25 2.86 -1.23 -2.36 114.93 115.87 3kal h MET 315 Ca 0.11 -0.34 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 3kal h MET 315 Cb 0.21 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 3kal h MET 315 CO -0.25 1.04 0.39 1.49 1.06 0.00 0.00 176.91 180.64 3kal h GLU 316 N 0.98 0.82 -0.67 1.72 4.57 -0.75 -2.81 114.58 118.44 3kal h GLU 316 Ca 0.17 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 3kal h GLU 316 Cb 0.55 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.93 3kal h GLU 316 CO 0.03 0.57 0.42 1.96 -1.18 0.00 0.00 179.01 180.81 3kal h GLN 317 N 0.83 0.90 -6.96 1.92 4.20 -0.92 -3.45 115.11 111.62 3kal h GLN 317 Ca 0.22 -0.07 -0.53 0.00 0.06 0.00 0.00 58.65 58.34 3kal h GLN 317 Cb -0.06 -0.20 0.21 0.00 0.30 0.00 0.00 27.48 27.73 3kal h GLN 317 CO -0.04 0.62 -0.25 -1.13 -0.67 0.00 0.00 178.83 177.35 3kal n SER 318 N -4.41 -1.06 0.00 1.46 3.41 -0.90 -4.94 113.62 107.18 3kal n SER 318 Ca 0.07 0.39 0.10 0.00 -0.26 0.00 0.00 58.87 59.17 3kal n SER 318 Cb 0.06 -1.31 0.48 0.00 -0.26 0.00 0.00 64.21 63.17 3kal n SER 318 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3kal n SER 319 N -2.34 0.00 -4.74 4.04 3.41 -0.54 -4.92 113.62 108.53 3kal n SER 319 Ca 0.09 0.37 -0.40 0.00 -0.26 0.00 0.00 58.87 58.67 3kal n SER 319 Cb 0.53 -0.45 0.03 0.00 -0.26 0.00 0.00 64.21 64.06 3kal n SER 319 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kal n ALA 320 N -1.45 1.71 -2.18 7.33 0.00 -1.26 -4.91 120.51 119.75 3kal n ALA 320 Ca 0.06 0.20 -0.43 0.00 0.00 0.00 0.00 53.44 53.28 3kal n ALA 320 Cb 0.23 -2.35 -0.02 0.00 0.00 0.00 0.00 19.45 17.30 3kal n ALA 320 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3kal s ILE 321 N -1.23 3.80 0.20 0.00 -1.09 0.85 -4.87 121.20 118.86 3kal s ILE 321 Ca 0.65 0.92 -0.23 0.00 -2.23 0.00 0.00 60.65 59.76 3kal s ILE 321 Cb -0.45 -3.77 -0.08 0.00 -1.58 0.00 0.00 42.46 36.58 3kal s ILE 321 CO 0.55 -0.28 0.77 -0.54 -1.23 0.00 0.00 174.94 174.21 3kal s LYS 322 N 4.42 4.45 -0.43 2.79 3.01 -1.26 -0.53 119.74 132.19 3kal s LYS 322 Ca 0.68 1.07 0.02 0.00 -1.01 0.00 0.00 55.97 56.72 3kal s LYS 322 Cb -0.24 -3.06 0.14 0.00 -1.01 0.00 0.00 37.83 33.65 3kal s LYS 322 CO 0.27 0.47 0.24 0.00 0.51 0.00 0.00 175.35 176.84 3kal s PRO 324 N 0.43 2.44 0.88 0.00 0.04 -1.26 -1.58 135.00 135.95 3kal s PRO 324 Ca 0.18 -1.66 -0.11 0.00 0.04 0.00 0.00 61.00 59.44 3kal s PRO 324 Cb -0.24 -2.37 0.12 0.00 0.04 0.00 0.00 34.50 32.05 3kal s PRO 324 CO 0.00 -0.43 1.09 0.95 0.04 0.00 0.00 177.00 178.66 3kal s THR 325 N -2.58 2.74 0.26 1.26 -4.23 -1.21 -4.85 115.64 107.03 3kal s THR 325 Ca 0.47 0.24 -0.02 0.00 -1.18 0.00 0.00 61.69 61.20 3kal s THR 325 Cb -0.04 -2.71 0.25 0.00 1.34 0.00 0.00 72.50 71.35 3kal s THR 325 CO 0.28 -0.31 1.83 -0.29 -0.54 0.00 0.00 174.62 175.59 3kal h ILE 326 N -1.51 0.94 -0.72 2.99 6.09 -1.98 -1.06 117.51 122.27 3kal h ILE 326 Ca -0.49 -0.32 -0.05 0.00 -1.37 0.00 0.00 64.86 62.64 3kal h ILE 326 Cb 1.28 -0.07 -0.03 0.00 0.47 0.00 0.00 36.82 38.46 3kal h ILE 326 CO 0.54 0.17 0.26 0.77 -3.07 0.00 0.00 178.15 176.82 3kal h SER 327 N 0.93 1.02 -0.64 2.19 4.64 -1.93 -2.36 113.55 117.40 3kal h SER 327 Ca 0.44 -0.19 -0.05 0.00 -0.47 0.00 0.00 61.79 61.52 3kal h SER 327 Cb 0.38 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.18 3kal h SER 327 CO -0.24 0.93 0.19 1.88 -0.87 0.00 0.00 176.83 178.72 3kal h TYR 328 N 1.04 1.05 0.38 4.77 -1.99 -1.72 -1.95 116.97 118.54 3kal h TYR 328 Ca 0.24 -0.11 -0.01 0.00 2.00 0.00 0.00 58.73 60.85 3kal h TYR 328 Cb 0.25 -0.30 -0.02 0.00 2.00 0.00 0.00 36.73 38.66 3kal h TYR 328 CO 0.02 0.86 -0.34 1.25 -0.00 0.00 0.00 178.16 179.95 3kal h HIS 329 N 0.93 -0.92 -0.89 4.88 2.76 -0.91 -2.49 115.15 118.52 3kal h HIS 329 Ca 0.21 0.00 0.21 0.00 -2.20 0.00 0.00 60.37 58.59 3kal h HIS 329 Cb 0.31 0.35 -0.12 0.00 1.55 0.00 0.00 27.41 29.51 3kal h HIS 329 CO 0.02 -0.49 0.40 -0.07 -1.30 0.00 0.00 177.93 176.50 3kal h LEU 330 N -0.74 0.37 -1.76 0.26 3.38 -1.37 -1.10 115.31 114.36 3kal h LEU 330 Ca -0.03 0.14 0.09 0.00 0.09 0.00 0.00 57.88 58.17 3kal h LEU 330 Cb 0.65 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 3kal h LEU 330 CO -0.04 0.04 0.33 0.58 0.09 0.00 0.00 178.44 179.44 3kal h VAL 331 N 0.44 0.90 -0.01 1.22 2.07 -0.89 -2.22 116.25 117.77 3kal h VAL 331 Ca 0.54 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.97 3kal h VAL 331 Cb 0.99 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 3kal h VAL 331 CO -0.50 0.05 -0.03 0.61 0.02 0.00 0.00 177.57 177.73 3kal n GLY 332 N -1.54 -0.70 3.74 2.17 0.00 -0.42 -4.39 105.19 104.06 3kal n GLY 332 Ca 0.07 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 3kal n GLY 332 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kal s THR 333 N -2.14 2.44 0.09 2.61 -4.23 -0.84 -4.76 115.64 108.82 3kal s THR 333 Ca 0.40 0.26 0.13 0.00 -1.18 0.00 0.00 61.69 61.29 3kal s THR 333 Cb 0.21 -3.02 -0.01 0.00 1.34 0.00 0.00 72.50 71.02 3kal s THR 333 CO 0.39 -0.08 1.51 0.11 -0.54 0.00 0.00 174.62 176.01 3kal h LYS 334 N 0.50 0.00 -0.38 3.99 1.79 -1.89 -2.64 116.57 117.95 3kal h LYS 334 Ca -0.50 0.00 0.08 0.00 -2.18 0.00 0.00 60.65 58.05 3kal h LYS 334 Cb 1.30 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.87 3kal h LYS 334 CO 0.53 0.63 -0.19 -0.22 -1.08 0.00 0.00 179.45 179.13 3kal h LYS 335 N 0.00 -0.12 -0.45 3.15 1.63 -1.91 -0.82 116.57 118.05 3kal h LYS 335 Ca -0.01 0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.75 3kal h LYS 335 Cb 1.31 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.95 3kal h LYS 335 CO 0.08 -0.08 0.05 0.82 -3.45 0.00 0.00 179.45 176.87 3kal h ILE 336 N -0.12 1.22 -0.83 2.00 1.08 -1.80 0.38 117.51 119.44 3kal h ILE 336 Ca 0.19 -0.85 0.02 0.00 -0.39 0.00 0.00 64.86 63.82 3kal h ILE 336 Cb 0.41 0.83 -0.04 0.00 -3.07 0.00 0.00 36.82 34.94 3kal h ILE 336 CO -0.45 0.30 0.54 -0.61 -0.69 0.00 0.00 178.15 177.24 3kal h GLN 337 N 0.67 1.06 0.24 2.37 4.15 -1.09 0.12 115.11 122.62 3kal h GLN 337 Ca 0.14 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.49 3kal h GLN 337 Cb 0.35 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 27.80 3kal h GLN 337 CO 0.01 0.70 -0.11 0.37 -1.93 0.00 0.00 178.83 177.86 3kal h GLN 338 N 1.09 -0.31 -0.76 1.69 -0.00 -0.78 -3.06 115.11 112.98 3kal h GLN 338 Ca 0.31 0.02 0.14 0.00 -0.00 0.00 0.00 58.65 59.13 3kal h GLN 338 Cb -0.08 0.07 -0.09 0.00 0.00 0.00 0.00 27.48 27.37 3kal h GLN 338 CO -0.08 -0.10 0.32 0.93 0.00 0.00 0.00 178.83 179.90 3kal h GLU 339 N -0.47 0.45 0.00 1.69 4.39 -0.06 0.21 114.58 120.79 3kal h GLU 339 Ca -0.03 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 3kal h GLU 339 Cb 0.35 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.90 3kal h GLU 339 CO 0.05 0.30 -0.02 -0.07 -1.16 0.00 0.00 179.01 178.11 3kal h LEU 340 N 0.46 0.00 0.00 1.33 3.38 -0.71 -2.41 115.31 117.36 3kal h LEU 340 Ca 0.42 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.34 3kal h LEU 340 Cb 0.63 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3kal h LEU 340 CO -0.40 0.02 -0.83 0.00 0.09 0.00 0.00 178.44 177.32 3kal h ALA 341 N 1.98 0.66 -1.67 1.53 0.00 -0.48 -3.19 119.26 118.09 3kal h ALA 341 Ca -0.00 -0.25 -0.63 0.00 0.00 0.00 0.00 54.91 54.02 3kal h ALA 341 Cb 0.06 0.05 0.10 0.00 0.00 0.00 0.00 17.79 18.01 3kal h ALA 341 CO 0.00 0.29 -0.02 1.63 0.00 0.00 0.00 179.25 181.15 3kal n LYS 342 N -2.89 0.95 -1.99 0.00 5.02 -0.91 -4.90 118.16 113.44 3kal n LYS 342 Ca -0.01 0.33 -0.39 0.00 -2.02 0.00 0.00 58.31 56.22 3kal n LYS 342 Cb 0.64 -1.63 0.01 0.00 -0.02 0.00 0.00 35.03 34.03 3kal n LYS 342 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3kal s PRO 343 N -1.20 3.67 0.00 1.97 0.02 -1.26 -2.57 135.00 135.64 3kal s PRO 343 Ca 0.63 2.14 0.00 0.00 0.02 0.00 0.00 61.00 63.79 3kal s PRO 343 Cb -0.80 -2.55 0.00 0.00 0.02 0.00 0.00 34.50 31.18 3kal s PRO 343 CO 0.58 -0.73 0.00 0.41 -0.33 0.00 0.00 177.00 176.93 3kal n GLY 344 N 0.63 0.02 0.06 0.52 0.00 -1.26 -4.86 105.19 100.29 3kal n GLY 344 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 3kal n GLY 344 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kal h VAL 345 N 0.00 1.19 -0.98 1.61 2.07 -1.77 -2.98 116.25 115.38 3kal h VAL 345 Ca 0.00 -0.64 0.24 0.00 0.82 0.00 0.00 66.70 67.12 3kal h VAL 345 Cb 0.00 1.61 -0.12 0.00 -1.52 0.00 0.00 31.29 31.26 3kal h VAL 345 CO 0.00 0.16 0.56 -0.07 0.02 0.00 0.00 177.57 178.24 3kal h LEU 346 N -0.30 0.62 -1.94 2.57 3.38 -1.73 -2.16 115.31 115.75 3kal h LEU 346 Ca -0.00 0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 3kal h LEU 346 Cb 0.29 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3kal h LEU 346 CO 0.00 0.10 -0.01 -0.33 0.09 0.00 0.00 178.44 178.29 3kal h GLU 347 N 0.56 0.00 0.00 1.13 3.07 -1.80 0.24 114.58 117.77 3kal h GLU 347 Ca 0.62 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.46 3kal h GLU 347 Cb 1.17 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.08 3kal h GLU 347 CO -0.48 0.01 -0.12 0.00 -1.40 0.00 0.00 179.01 177.03 3kal h ARG 348 N 0.00 0.00 -0.01 2.33 3.08 -1.40 -3.34 114.38 115.05 3kal h ARG 348 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kal h ARG 348 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3kal h ARG 348 CO 0.00 0.12 -0.00 1.19 -1.07 0.00 0.00 179.97 180.21 3kal n PHE 349 N -4.02 0.00 -3.87 3.04 3.01 0.81 -4.96 117.46 111.46 3kal n PHE 349 Ca -0.02 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.32 3kal n PHE 349 Cb 0.20 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.56 3kal n PHE 349 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3kal s VAL 350 N -0.43 0.06 -0.04 -4.37 1.01 -1.07 -4.84 120.40 110.72 3kal s VAL 350 Ca 0.06 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.59 3kal s VAL 350 Cb 0.04 -0.31 -0.04 0.00 0.00 0.00 0.00 36.38 36.07 3kal s VAL 350 CO 0.06 -0.25 -0.01 -0.62 0.00 0.00 0.00 175.10 174.28 3kal n GLU 351 N 2.07 1.74 -1.92 2.72 -0.58 -1.26 -4.71 120.64 118.70 3kal n GLU 351 Ca -0.19 0.01 -0.43 0.00 -0.42 0.00 0.00 57.16 56.14 3kal n GLU 351 Cb 0.57 -1.09 -0.03 0.00 -0.57 0.00 0.00 31.44 30.32 3kal n GLU 351 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 3kal s ASN 352 N -3.95 6.32 0.18 1.62 3.04 -1.26 -4.89 114.94 116.00 3kal s ASN 352 Ca -0.04 2.02 0.07 0.00 0.04 0.00 0.00 52.86 54.94 3kal s ASN 352 Cb 0.01 -2.53 0.02 0.00 -1.54 0.00 0.00 41.25 37.22 3kal s ASN 352 CO 0.13 -1.25 1.41 0.11 -3.04 0.00 0.00 177.10 174.46 3kal h LYS 353 N 11.09 0.06 -0.38 0.43 1.79 -2.00 -2.12 116.57 125.44 3kal h LYS 353 Ca -0.39 -0.07 -0.04 0.00 -2.18 0.00 0.00 60.65 57.96 3kal h LYS 353 Cb 1.19 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.84 3kal h LYS 353 CO 0.97 0.87 0.05 0.22 -1.08 0.00 0.00 179.45 180.48 3kal h ASP 354 N 0.03 0.54 -0.33 0.86 3.58 -2.00 -2.64 116.42 116.46 3kal h ASP 354 Ca -0.02 -0.09 -0.08 0.00 0.42 0.00 0.00 57.03 57.26 3kal h ASP 354 Cb 1.49 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 42.39 3kal h ASP 354 CO 0.12 0.57 -0.10 0.45 -2.88 0.00 0.00 179.24 177.40 3kal h HIS 355 N 0.56 0.73 -0.77 0.28 3.86 -1.92 -1.68 115.15 116.21 3kal h HIS 355 Ca 0.12 -0.16 0.10 0.00 -1.16 0.00 0.00 60.37 59.28 3kal h HIS 355 Cb 0.28 -0.18 -0.08 0.00 1.06 0.00 0.00 27.41 28.50 3kal h HIS 355 CO 0.01 0.83 0.40 0.82 0.86 0.00 0.00 177.93 180.86 3kal h ILE 356 N 0.43 0.84 0.20 2.45 2.04 -1.29 0.14 117.51 122.32 3kal h ILE 356 Ca 0.08 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 3kal h ILE 356 Cb 0.60 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 3kal h ILE 356 CO 0.04 0.12 -0.10 0.00 0.00 0.00 0.00 178.15 178.21 3kal h ALA 357 N 1.47 -0.27 -0.38 1.87 0.00 -1.32 0.18 119.26 120.81 3kal h ALA 357 Ca 0.39 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.23 3kal h ALA 357 Cb 0.43 0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.24 3kal h ALA 357 CO -0.28 -0.53 -0.28 0.87 0.00 0.00 0.00 179.25 179.02 3kal h LYS 358 N -0.52 -0.22 -0.25 0.00 1.57 -1.20 0.29 116.57 116.24 3kal h LYS 358 Ca -0.03 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3kal h LYS 358 Cb 0.39 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 3kal h LYS 358 CO 0.05 -0.14 0.14 -0.07 -0.57 0.00 0.00 179.45 178.85 3kal h LEU 359 N -0.22 0.31 -0.92 2.94 3.38 -0.66 -2.96 115.31 117.18 3kal h LEU 359 Ca 0.18 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 3kal h LEU 359 Cb 0.51 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3kal h LEU 359 CO -0.51 0.30 -0.22 0.03 0.09 0.00 0.00 178.44 178.14 3kal h ARG 360 N 0.29 0.55 -0.97 1.13 2.47 -0.34 -1.88 114.38 115.63 3kal h ARG 360 Ca 0.09 -0.20 0.28 0.00 -1.26 0.00 0.00 59.98 58.89 3kal h ARG 360 Cb 0.06 -0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 28.30 3kal h ARG 360 CO -0.01 0.73 0.74 0.00 0.56 0.00 0.00 179.97 181.98 3kal h ALA 361 N 1.28 2.89 -0.18 0.04 0.00 -0.26 -1.95 119.26 121.08 3kal h ALA 361 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3kal h ALA 361 Cb 0.64 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3kal h ALA 361 CO 0.05 -1.24 0.00 0.00 0.00 0.00 0.00 179.25 178.06 3kal s PHE 363 N -1.50 3.62 0.46 0.00 0.40 -0.74 -0.63 117.98 119.61 3kal s PHE 363 Ca 0.28 1.56 0.01 0.00 -0.60 0.00 0.00 56.93 58.18 3kal s PHE 363 Cb 0.18 -3.03 0.00 0.00 0.51 0.00 0.00 43.02 40.68 3kal s PHE 363 CO 0.26 0.00 0.67 0.00 0.70 0.00 0.00 175.22 176.85 3kal s ALA 364 N 1.02 3.84 -0.04 5.36 0.00 -1.26 -4.98 121.76 125.71 3kal s ALA 364 Ca 0.47 -1.16 -0.37 0.00 0.00 0.00 0.00 51.96 50.90 3kal s ALA 364 Cb -0.20 -2.08 -0.15 0.00 0.00 0.00 0.00 23.12 20.70 3kal s ALA 364 CO 0.24 -0.43 1.59 0.41 0.00 0.00 0.00 175.76 177.58 3kal n GLY 365 N -2.09 0.87 2.82 0.00 0.00 -1.26 -4.88 105.19 100.64 3kal n GLY 365 Ca 0.03 0.79 -0.16 0.00 0.00 0.00 0.00 46.02 46.67 3kal n GLY 365 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kal s LEU 366 N 2.07 1.24 -0.07 0.99 1.43 -1.26 -0.18 118.68 122.89 3kal s LEU 366 Ca 0.89 -0.02 -0.07 0.00 -1.03 0.00 0.00 54.13 53.91 3kal s LEU 366 Cb -0.90 -0.18 0.02 0.00 0.03 0.00 0.00 46.19 45.16 3kal s LEU 366 CO 0.52 -0.09 0.19 0.26 0.23 0.00 0.00 176.35 177.46 3kal s TRP 367 N 0.92 -0.21 0.47 0.29 0.51 0.13 -4.87 118.94 116.18 3kal s TRP 367 Ca -0.09 0.52 -0.21 0.00 -2.12 0.00 0.00 56.10 54.20 3kal s TRP 367 Cb -0.12 0.07 -0.08 0.00 -0.81 0.00 0.00 33.47 32.53 3kal s TRP 367 CO -0.02 -0.10 1.06 0.45 -0.51 0.00 0.00 176.95 177.83 3kal s SER 368 N 0.11 6.34 0.00 2.95 0.15 -1.26 -1.31 113.70 120.68 3kal s SER 368 Ca -0.00 2.00 0.13 0.00 0.70 0.00 0.00 55.95 58.78 3kal s SER 368 Cb -0.01 -2.57 0.78 0.00 -1.71 0.00 0.00 66.02 62.51 3kal s SER 368 CO 0.00 -0.79 1.23 0.18 1.20 0.00 0.00 173.24 175.07 3kal n LEU 369 N -0.81 0.00 0.03 3.45 4.77 -1.26 -1.58 117.00 121.60 3kal n LEU 369 Ca 0.09 0.03 0.13 0.00 -0.03 0.00 0.00 56.01 56.23 3kal n LEU 369 Cb 0.51 -0.03 0.48 0.00 -2.33 0.00 0.00 43.42 42.06 3kal n LEU 369 CO 0.41 -0.02 0.83 -0.62 -1.33 0.00 0.00 177.39 176.67 3kal n GLU 370 N -1.03 0.09 -2.74 3.23 1.02 -1.26 -4.58 120.64 115.36 3kal n GLU 370 Ca 0.10 0.06 -0.43 0.00 -0.02 0.00 0.00 57.16 56.87 3kal n GLU 370 Cb 0.05 -1.59 -0.03 0.00 -0.02 0.00 0.00 31.44 29.85 3kal n GLU 370 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3kal s ASP 371 N -3.48 6.60 -0.76 1.62 -1.08 -0.62 -4.92 116.67 114.02 3kal s ASP 371 Ca 0.12 -1.83 -0.02 0.00 -0.52 0.00 0.00 52.55 50.30 3kal s ASP 371 Cb 0.17 -2.49 0.31 0.00 -1.46 0.00 0.00 42.92 39.45 3kal s ASP 371 CO 0.58 -1.26 2.15 -1.54 0.52 0.00 0.00 175.17 175.62 3kal n SER 372 N 7.67 7.37 -0.10 -0.34 3.41 -1.26 -0.80 113.62 129.55 3kal n SER 372 Ca 0.30 -3.72 -0.18 0.00 -0.26 0.00 0.00 58.87 55.01 3kal n SER 372 Cb 0.50 -1.09 -0.08 0.00 -0.26 0.00 0.00 64.21 63.28 3kal n SER 372 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3kal n ASP 373 N -0.33 1.88 -0.09 4.04 10.43 -1.26 -4.37 116.55 126.85 3kal n ASP 373 Ca 0.54 0.44 -0.03 0.00 2.57 0.00 0.00 54.79 58.31 3kal n ASP 373 Cb 0.33 -0.88 0.20 0.00 1.84 0.00 0.00 41.12 42.60 3kal n ASP 373 CO 0.00 0.00 0.00 0.40 -1.07 0.00 0.00 177.20 176.53 3kal h ILE 374 N -1.00 1.23 -0.26 0.53 1.08 -1.85 -0.05 117.51 117.19 3kal h ILE 374 Ca -0.31 -0.91 -0.01 0.00 -0.39 0.00 0.00 64.86 63.25 3kal h ILE 374 Cb 1.15 0.85 -0.01 0.00 -3.07 0.00 0.00 36.82 35.74 3kal h ILE 374 CO -0.19 0.32 0.14 0.58 -0.69 0.00 0.00 178.15 178.31 3kal h VAL 375 N 0.69 1.13 0.10 1.67 2.07 -1.22 0.74 116.25 121.44 3kal h VAL 375 Ca 0.14 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 67.34 3kal h VAL 375 Cb 0.39 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 30.99 3kal h VAL 375 CO 0.01 0.13 -0.42 0.07 0.02 0.00 0.00 177.57 177.38 3kal h LYS 376 N 0.30 -0.62 -1.00 1.57 2.10 -1.73 -0.88 116.57 116.32 3kal h LYS 376 Ca 0.09 0.04 0.20 0.00 -2.00 0.00 0.00 60.65 58.99 3kal h LYS 376 Cb 0.08 0.14 -0.10 0.00 -0.90 0.00 0.00 32.23 31.45 3kal h LYS 376 CO -0.01 -0.41 0.62 0.87 -2.00 0.00 0.00 179.45 178.51 3kal h LYS 377 N -0.64 0.65 -0.20 0.07 1.57 -0.89 -0.63 116.57 116.50 3kal h LYS 377 Ca 0.02 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.60 3kal h LYS 377 Cb 0.68 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 3kal h LYS 377 CO -0.25 0.43 -0.54 0.00 -0.57 0.00 0.00 179.45 178.52 3kal h ALA 378 N 1.65 0.68 -0.21 3.86 0.00 -0.71 -2.36 119.26 122.16 3kal h ALA 378 Ca 0.57 -0.51 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 3kal h ALA 378 Cb 1.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3kal h ALA 378 CO -0.36 0.69 -0.50 0.82 0.00 0.00 0.00 179.25 179.89 3kal h ILE 379 N 0.46 1.31 -0.26 0.00 2.04 0.30 -1.59 117.51 119.78 3kal h ILE 379 Ca 0.01 -1.73 -0.10 0.00 1.00 0.00 0.00 64.86 64.04 3kal h ILE 379 Cb 1.09 1.69 -0.00 0.00 -0.74 0.00 0.00 36.82 38.86 3kal h ILE 379 CO 0.10 0.54 -0.25 -0.33 0.00 0.00 0.00 178.15 178.22 3kal h GLU 380 N 0.46 0.62 -2.20 2.37 5.08 -1.28 -3.40 114.58 116.23 3kal h GLU 380 Ca 0.02 -0.32 -0.56 0.00 -1.00 0.00 0.00 59.36 57.50 3kal h GLU 380 Cb 1.04 0.01 -0.41 0.00 0.50 0.00 0.00 28.75 29.89 3kal h GLU 380 CO 0.10 0.92 -0.81 0.09 -1.00 0.00 0.00 179.01 178.31 3kal n ASN 381 N -4.34 3.35 0.20 1.42 3.02 -0.89 -4.96 115.26 113.07 3kal n ASN 381 Ca -0.04 -3.47 0.06 0.00 -0.03 0.00 0.00 54.58 51.10 3kal n ASN 381 Cb 0.44 -0.58 0.54 0.00 -0.61 0.00 0.00 39.78 39.57 3kal n ASN 381 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3kal h PRO 382 N 3.05 0.09 0.00 3.52 0.13 -1.50 -1.35 132.00 135.94 3kal h PRO 382 Ca 0.12 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3kal h PRO 382 Cb 0.65 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.76 3kal h PRO 382 CO 0.72 0.14 0.00 -0.85 -0.23 0.00 0.00 178.00 177.79 3kal n GLU 383 N -4.44 0.06 -0.07 0.86 0.00 -1.26 -2.66 120.64 113.13 3kal n GLU 383 Ca -0.02 0.51 0.12 0.00 0.00 0.00 0.00 57.16 57.77 3kal n GLU 383 Cb 0.15 -1.69 0.30 0.00 0.00 0.00 0.00 31.44 30.20 3kal n GLU 383 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3kal n LEU 384 N -1.82 2.42 -3.94 -1.84 4.32 -0.51 -4.89 117.00 110.73 3kal n LEU 384 Ca 0.00 -0.93 -0.10 0.00 -0.02 0.00 0.00 56.01 54.96 3kal n LEU 384 Cb 0.05 -0.10 -0.12 0.00 -1.62 0.00 0.00 43.42 41.64 3kal n LEU 384 CO 0.06 0.47 -0.35 -0.36 -1.22 0.00 0.00 177.39 175.99 3kal s PHE 385 N -1.81 0.18 -0.03 -1.77 0.40 -1.09 -1.15 117.98 112.70 3kal s PHE 385 Ca 0.34 -0.36 0.07 0.00 -0.60 0.00 0.00 56.93 56.38 3kal s PHE 385 Cb 0.20 -0.13 -0.02 0.00 0.51 0.00 0.00 43.02 43.58 3kal s PHE 385 CO 0.30 -0.14 -0.24 0.08 0.70 0.00 0.00 175.22 175.92 3kal s VAL 386 N -1.03 2.22 -0.17 -0.44 1.01 -0.11 -4.46 120.40 117.42 3kal s VAL 386 Ca -0.11 -1.04 -0.05 0.00 0.00 0.00 0.00 61.98 60.79 3kal s VAL 386 Cb -0.07 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 3kal s VAL 386 CO -0.01 0.58 -0.01 -0.32 0.00 0.00 0.00 175.10 175.34 3kal s MET 387 N -0.54 3.70 -0.08 2.72 1.75 -0.38 -0.74 119.30 125.73 3kal s MET 387 Ca 0.08 -0.50 0.01 0.00 -1.25 0.00 0.00 55.69 54.03 3kal s MET 387 Cb -0.11 -3.00 0.02 0.00 2.84 0.00 0.00 34.83 34.58 3kal s MET 387 CO 0.00 0.18 -0.08 0.15 -0.65 0.00 0.00 175.02 174.62 3kal s LYS 388 N 0.54 1.36 1.03 4.11 1.02 -0.59 -0.50 119.74 126.71 3kal s LYS 388 Ca -0.02 -0.25 -0.17 0.00 0.02 0.00 0.00 55.97 55.55 3kal s LYS 388 Cb -0.14 -1.31 0.23 0.00 -0.52 0.00 0.00 37.83 36.09 3kal s LYS 388 CO 0.02 -0.12 1.30 -1.25 -0.92 0.00 0.00 175.35 174.38 3kal s PRO 389 N 1.18 0.12 -1.22 -1.68 0.04 -1.26 -1.60 135.00 130.57 3kal s PRO 389 Ca -0.06 -0.42 -0.09 0.00 0.04 0.00 0.00 61.00 60.47 3kal s PRO 389 Cb -0.14 -1.79 0.20 0.00 0.04 0.00 0.00 34.50 32.81 3kal s PRO 389 CO -0.02 -2.77 1.69 1.04 0.04 0.00 0.00 177.00 176.98 3kal n GLN 390 N -4.01 3.74 -4.17 4.56 1.13 -1.21 -4.73 117.38 112.68 3kal n GLN 390 Ca 0.16 -3.83 -0.12 0.00 -1.94 0.00 0.00 57.00 51.27 3kal n GLN 390 Cb 0.59 -2.85 -0.09 0.00 0.11 0.00 0.00 30.24 28.01 3kal n GLN 390 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3kal s ARG 391 N -0.10 1.32 -0.14 -1.09 1.81 -1.26 -4.85 118.95 114.65 3kal s ARG 391 Ca 0.38 -1.61 -0.06 0.00 -1.72 0.00 0.00 55.73 52.72 3kal s ARG 391 Cb 0.06 0.31 0.06 0.00 -0.45 0.00 0.00 34.95 34.93 3kal s ARG 391 CO 0.02 -0.46 0.30 -1.21 -0.68 0.00 0.00 175.30 173.26 3kal s GLU 392 N -4.04 0.21 0.00 3.54 0.41 -1.26 -4.85 118.70 112.70 3kal s GLU 392 Ca 0.36 0.76 0.00 0.00 -0.41 0.00 0.00 54.97 55.68 3kal s GLU 392 Cb 0.05 0.01 0.00 0.00 -1.78 0.00 0.00 34.13 32.41 3kal s GLU 392 CO 0.13 -0.25 0.00 0.41 -0.49 0.00 0.00 175.26 175.07 3kal n GLY 393 N 5.06 1.24 0.00 -1.39 0.00 -1.26 -4.76 105.19 104.08 3kal n GLY 393 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3kal n GLY 393 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kal n GLY 394 N -0.05 4.60 1.51 -0.02 0.00 -1.26 -5.03 105.19 104.93 3kal n GLY 394 Ca 0.00 -0.79 -0.03 0.00 0.00 0.00 0.00 46.02 45.20 3kal n GLY 394 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kal n GLY 395 N -1.03 0.39 0.94 -0.02 0.00 -1.26 -4.96 105.19 99.25 3kal n GLY 395 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 3kal n GLY 395 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kal n ASN 396 N -0.91 0.63 -3.78 1.61 3.02 -1.26 -5.10 115.26 109.47 3kal n ASN 396 Ca -0.04 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.24 3kal n ASN 396 Cb 0.53 0.00 0.23 0.00 -0.61 0.00 0.00 39.78 39.92 3kal n ASN 396 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3kal n ASN 397 N -2.82 -3.07 -3.73 6.41 4.13 -1.26 -4.77 115.26 110.16 3kal n ASN 397 Ca 0.00 -0.47 -0.12 0.00 1.68 0.00 0.00 54.58 55.67 3kal n ASN 397 Cb 0.42 -0.98 -0.13 0.00 -1.54 0.00 0.00 39.78 37.56 3kal n ASN 397 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3kal s ILE 398 N -2.18 -0.05 0.27 2.41 1.01 0.34 -5.00 121.20 118.00 3kal s ILE 398 Ca 0.57 0.15 0.03 0.00 0.00 0.00 0.00 60.65 61.40 3kal s ILE 398 Cb -0.13 -0.38 -0.05 0.00 0.01 0.00 0.00 42.46 41.91 3kal s ILE 398 CO 0.54 0.06 0.06 -0.31 0.00 0.00 0.00 174.94 175.29 3kal s TYR 399 N 1.29 1.66 0.00 3.97 1.51 -1.26 -1.25 117.35 123.27 3kal s TYR 399 Ca -0.09 -1.05 0.00 0.00 -1.01 0.00 0.00 57.07 54.92 3kal s TYR 399 Cb -0.10 -1.01 0.00 0.00 -0.11 0.00 0.00 41.96 40.74 3kal s TYR 399 CO -0.08 -0.16 0.00 0.41 -1.11 0.00 0.00 175.55 174.61 3kal n GLY 400 N -0.51 1.76 0.22 0.71 0.00 -1.16 -2.43 105.19 103.78 3kal n GLY 400 Ca -0.02 0.32 -0.10 0.00 0.00 0.00 0.00 46.02 46.22 3kal n GLY 400 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3kal h ASP 401 N 0.00 -0.56 0.04 1.61 3.32 -1.99 -1.87 116.42 116.97 3kal h ASP 401 Ca 0.00 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 3kal h ASP 401 Cb 0.00 0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 3kal h ASP 401 CO 0.00 -0.24 -0.04 -0.08 -1.72 0.00 0.00 179.24 177.17 3kal h GLU 402 N -0.26 0.00 -0.05 3.56 4.81 -1.92 -2.07 114.58 118.66 3kal h GLU 402 Ca 0.08 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.17 3kal h GLU 402 Cb 0.37 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.76 3kal h GLU 402 CO -0.23 0.04 -0.53 1.25 -0.73 0.00 0.00 179.01 178.80 3kal h LEU 403 N 0.00 0.56 -0.74 1.64 6.46 -1.03 -2.21 115.31 119.99 3kal h LEU 403 Ca -0.00 -0.70 -0.09 0.00 -0.12 0.00 0.00 57.88 56.97 3kal h LEU 403 Cb 0.07 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 39.81 3kal h LEU 403 CO 0.00 1.17 -0.05 -0.09 -0.62 0.00 0.00 178.44 178.85 3kal h ARG 404 N -0.01 0.90 -0.74 1.25 2.43 -1.00 -0.88 114.38 116.33 3kal h ARG 404 Ca -0.05 -0.29 -0.06 0.00 -0.81 0.00 0.00 59.98 58.77 3kal h ARG 404 Cb 1.21 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.65 3kal h ARG 404 CO 0.11 0.93 0.24 1.49 -1.51 0.00 0.00 179.97 181.23 3kal h GLU 405 N 0.82 1.15 0.08 0.20 4.22 -1.45 -0.73 114.58 118.87 3kal h GLU 405 Ca 0.14 -0.24 -0.28 0.00 0.08 0.00 0.00 59.36 59.06 3kal h GLU 405 Cb 0.57 -0.17 0.02 0.00 0.50 0.00 0.00 28.75 29.67 3kal h GLU 405 CO 0.03 0.97 -1.16 1.15 -2.18 0.00 0.00 179.01 177.83 3kal h THR 406 N 1.10 1.31 -0.14 0.32 2.02 -1.28 -2.41 112.91 113.83 3kal h THR 406 Ca 0.24 -2.45 -0.12 0.00 0.77 0.00 0.00 66.41 64.85 3kal h THR 406 Cb 0.30 2.60 -0.01 0.00 -1.74 0.00 0.00 68.15 69.30 3kal h THR 406 CO -0.01 0.74 -0.43 -0.07 0.37 0.00 0.00 175.52 176.13 3kal h LEU 407 N 0.29 0.34 -0.04 2.58 3.38 -1.10 -2.16 115.31 118.59 3kal h LEU 407 Ca -0.16 -0.15 -0.19 0.00 0.09 0.00 0.00 57.88 57.47 3kal h LEU 407 Cb 1.82 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 42.49 3kal h LEU 407 CO 0.22 0.73 -0.73 -0.07 0.09 0.00 0.00 178.44 178.68 3kal h LEU 408 N 0.26 0.71 -2.39 1.67 3.38 -1.18 -3.22 115.31 114.54 3kal h LEU 408 Ca 0.02 -0.71 -0.01 0.00 0.09 0.00 0.00 57.88 57.27 3kal h LEU 408 Cb 0.87 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 3kal h LEU 408 CO 0.07 1.33 -0.03 0.50 0.09 0.00 0.00 178.44 180.39 3kal h LYS 409 N 0.16 0.00 -4.11 1.13 3.64 -1.35 -3.30 116.57 112.75 3kal h LYS 409 Ca -0.08 0.00 -0.72 0.00 -1.27 0.00 0.00 60.65 58.58 3kal h LYS 409 Cb 1.40 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 33.13 3kal h LYS 409 CO 0.15 0.03 2.51 1.28 -2.27 0.00 0.00 179.45 181.15 3kal n LEU 410 N -3.48 6.44 -3.15 5.20 4.77 -0.82 -5.10 117.00 120.86 3kal n LEU 410 Ca -0.02 -4.31 -0.21 0.00 -0.03 0.00 0.00 56.01 51.44 3kal n LEU 410 Cb 0.14 -1.61 -0.04 0.00 -2.33 0.00 0.00 43.42 39.58 3kal n LEU 410 CO 0.26 1.06 -0.22 0.00 -1.33 0.00 0.00 177.39 177.15 3kal n GLN 411 N 5.57 0.81 0.00 3.23 1.13 -1.25 -4.98 117.38 121.90 3kal n GLN 411 Ca 0.46 -3.14 0.00 0.00 -1.94 0.00 0.00 57.00 52.38 3kal n GLN 411 Cb 0.39 -1.39 0.00 0.00 0.11 0.00 0.00 30.24 29.36 3kal n GLN 411 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 3kal n GLU 417 N 1.01 0.00 0.25 -1.09 2.13 -1.26 -5.19 120.64 116.49 3kal n GLU 417 Ca 0.21 0.00 0.13 0.00 0.66 0.00 0.00 57.16 58.16 3kal n GLU 417 Cb 0.59 -0.01 0.69 0.00 0.27 0.00 0.00 31.44 32.97 3kal n GLU 417 CO 0.00 0.00 0.00 0.38 -0.41 0.00 0.00 177.13 177.10 3kal h ASP 418 N 0.00 0.00 0.12 4.31 3.04 -1.95 -3.26 116.42 118.68 3kal h ASP 418 Ca 0.00 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3kal h ASP 418 Cb 0.00 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.29 3kal h ASP 418 CO 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 179.24 177.19 3kal h ALA 419 N 1.51 1.16 -0.52 4.15 0.00 -1.94 -1.07 119.26 122.54 3kal h ALA 419 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kal h ALA 419 Cb 0.43 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3kal h ALA 419 CO 0.00 0.02 0.32 0.00 0.00 0.00 0.00 179.25 179.59 3kal h ALA 420 N 1.99 1.58 -3.18 0.00 0.00 -1.84 -3.37 119.26 114.43 3kal h ALA 420 Ca -0.00 -0.06 -0.63 0.00 0.00 0.00 0.00 54.91 54.22 3kal h ALA 420 Cb 0.08 -0.21 -0.11 0.00 0.00 0.00 0.00 17.79 17.54 3kal h ALA 420 CO 0.00 0.37 -0.66 0.71 0.00 0.00 0.00 179.25 179.68 3kal s TYR 421 N -5.56 2.96 0.39 0.00 1.51 -0.41 -3.36 117.35 112.88 3kal s TYR 421 Ca -0.09 -0.06 0.08 0.00 -1.01 0.00 0.00 57.07 55.99 3kal s TYR 421 Cb 0.17 -1.49 -0.04 0.00 -0.11 0.00 0.00 41.96 40.49 3kal s TYR 421 CO 0.75 0.49 0.23 0.96 -1.11 0.00 0.00 175.55 176.88 3kal s ILE 422 N -1.45 2.70 -0.00 2.71 -4.36 -0.62 -4.32 121.20 115.85 3kal s ILE 422 Ca 0.26 -1.57 0.07 0.00 -0.26 0.00 0.00 60.65 59.15 3kal s ILE 422 Cb -0.11 -3.00 -0.02 0.00 1.25 0.00 0.00 42.46 40.57 3kal s ILE 422 CO 0.19 -0.07 -0.22 -0.76 0.24 0.00 0.00 174.94 174.32 3kal s LEU 423 N -3.96 2.31 0.01 0.37 1.02 -0.43 -1.54 118.68 116.47 3kal s LEU 423 Ca 0.42 -0.43 0.02 0.00 0.02 0.00 0.00 54.13 54.16 3kal s LEU 423 Cb -0.01 -1.40 -0.01 0.00 0.02 0.00 0.00 46.19 44.79 3kal s LEU 423 CO 0.24 0.30 -0.07 -0.32 0.02 0.00 0.00 176.35 176.53 3kal s MET 424 N -0.90 0.49 -0.23 1.70 -2.45 0.08 0.20 119.30 118.18 3kal s MET 424 Ca 0.11 -0.42 -0.38 0.00 -1.25 0.00 0.00 55.69 53.76 3kal s MET 424 Cb -0.10 -0.40 -0.14 0.00 1.25 0.00 0.00 34.83 35.44 3kal s MET 424 CO 0.01 0.10 1.83 0.94 1.05 0.00 0.00 175.02 178.95 3kal n GLN 425 N 2.37 1.45 -1.69 4.11 7.27 0.75 -0.93 117.38 130.72 3kal n GLN 425 Ca -0.17 0.52 -0.42 0.00 0.07 0.00 0.00 57.00 57.01 3kal n GLN 425 Cb 0.57 -2.30 -0.03 0.00 2.41 0.00 0.00 30.24 30.89 3kal n GLN 425 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 3kal s ARG 426 N 3.99 4.13 -0.07 3.69 3.52 -0.30 -4.75 118.95 129.17 3kal s ARG 426 Ca 0.98 2.62 -0.04 0.00 -0.13 0.00 0.00 55.73 59.16 3kal s ARG 426 Cb -0.94 -3.66 -0.04 0.00 -1.56 0.00 0.00 34.95 28.75 3kal s ARG 426 CO 0.60 -0.87 0.12 0.42 -0.81 0.00 0.00 175.30 174.77 3kal s ILE 427 N 2.94 5.17 -0.48 4.11 1.01 -1.26 -4.87 121.20 127.82 3kal s ILE 427 Ca 0.82 -0.07 0.03 0.00 0.00 0.00 0.00 60.65 61.44 3kal s ILE 427 Cb -0.46 -3.30 0.13 0.00 0.01 0.00 0.00 42.46 38.84 3kal s ILE 427 CO 0.37 0.49 0.25 -0.36 0.00 0.00 0.00 174.94 175.70 3kal s PHE 428 N -1.11 2.53 0.86 3.97 0.40 -1.26 -5.05 117.98 118.32 3kal s PHE 428 Ca 0.19 -2.77 -0.11 0.00 -0.60 0.00 0.00 56.93 53.65 3kal s PHE 428 Cb -0.12 -2.30 0.11 0.00 0.51 0.00 0.00 43.02 41.22 3kal s PHE 428 CO 0.09 -0.76 1.10 -2.14 0.70 0.00 0.00 175.22 174.21 3kal s PRO 429 N 0.04 1.50 0.20 0.24 0.02 -1.25 -0.27 135.00 135.48 3kal s PRO 429 Ca 0.18 1.12 -0.32 0.00 0.02 0.00 0.00 61.00 62.00 3kal s PRO 429 Cb -0.25 -1.81 -0.12 0.00 0.02 0.00 0.00 34.50 32.34 3kal s PRO 429 CO -0.00 -2.16 1.72 0.00 -0.33 0.00 0.00 177.00 176.23 3kal s ALA 430 N -2.83 3.92 0.75 -1.55 0.00 -1.26 -4.75 121.76 116.04 3kal s ALA 430 Ca 0.63 1.57 -0.11 0.00 0.00 0.00 0.00 51.96 54.05 3kal s ALA 430 Cb -0.19 -3.70 0.04 0.00 0.00 0.00 0.00 23.12 19.27 3kal s ALA 430 CO 0.57 -0.93 1.08 0.99 0.00 0.00 0.00 175.76 177.47 3kal s THR 431 N 1.27 3.49 0.01 0.00 2.01 -1.26 -4.80 115.64 116.36 3kal s THR 431 Ca 0.75 0.48 -0.06 0.00 0.31 0.00 0.00 61.69 63.17 3kal s THR 431 Cb -0.49 -3.24 -0.00 0.00 0.01 0.00 0.00 72.50 68.77 3kal s THR 431 CO 0.32 -0.63 0.12 -0.94 -0.69 0.00 0.00 174.62 172.80 3kal s SER 432 N -3.89 0.07 0.21 3.53 1.04 -0.39 -4.90 113.70 109.38 3kal s SER 432 Ca 0.59 -0.30 -0.30 0.00 0.48 0.00 0.00 55.95 56.43 3kal s SER 432 Cb -0.14 0.20 -0.09 0.00 0.10 0.00 0.00 66.02 66.09 3kal s SER 432 CO 0.54 -0.40 1.28 -2.84 0.98 0.00 0.00 173.24 172.81 3kal s PRO 433 N -1.65 4.41 0.04 4.02 0.02 -1.26 -0.76 135.00 139.83 3kal s PRO 433 Ca -0.13 2.03 0.06 0.00 0.02 0.00 0.00 61.00 62.98 3kal s PRO 433 Cb -0.07 -3.19 -0.02 0.00 0.02 0.00 0.00 34.50 31.24 3kal s PRO 433 CO 0.00 -0.20 -0.17 0.00 -0.33 0.00 0.00 177.00 176.30 3kal s ALA 434 N -0.08 1.43 -0.35 -1.55 0.00 -0.70 -4.63 121.76 115.89 3kal s ALA 434 Ca 0.55 -0.94 -0.18 0.00 0.00 0.00 0.00 51.96 51.39 3kal s ALA 434 Cb -0.36 -0.25 -0.00 0.00 0.00 0.00 0.00 23.12 22.51 3kal s ALA 434 CO 0.39 0.30 0.49 0.42 0.00 0.00 0.00 175.76 177.36 3kal s ILE 435 N -0.85 5.04 -0.24 0.00 -1.09 -1.26 -2.09 121.20 120.71 3kal s ILE 435 Ca 0.04 0.30 -0.15 0.00 -2.23 0.00 0.00 60.65 58.60 3kal s ILE 435 Cb -0.08 -3.94 -0.04 0.00 -1.58 0.00 0.00 42.46 36.81 3kal s ILE 435 CO 0.02 -0.20 0.38 -0.76 -1.23 0.00 0.00 174.94 173.15 3kal s LEU 436 N 2.34 4.09 -0.22 2.97 1.43 -0.13 -1.45 118.68 127.69 3kal s LEU 436 Ca 0.18 0.38 -0.03 0.00 -1.03 0.00 0.00 54.13 53.63 3kal s LEU 436 Cb -0.16 -2.46 -0.00 0.00 0.03 0.00 0.00 46.19 43.60 3kal s LEU 436 CO 0.13 -0.14 -0.06 -0.69 0.23 0.00 0.00 176.35 175.82 3kal s VAL 437 N 1.76 3.20 -0.02 -1.59 1.01 0.11 -1.24 120.40 123.62 3kal s VAL 437 Ca 0.17 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.55 3kal s VAL 437 Cb -0.15 -2.47 0.01 0.00 0.00 0.00 0.00 36.38 33.77 3kal s VAL 437 CO 0.09 0.40 -0.04 -0.13 0.00 0.00 0.00 175.10 175.42 3kal s ARG 438 N 1.44 0.48 -1.62 2.72 0.52 0.03 -1.72 118.95 120.80 3kal s ARG 438 Ca 0.05 -0.10 -0.21 0.00 -0.52 0.00 0.00 55.73 54.96 3kal s ARG 438 Cb -0.14 -0.52 0.21 0.00 0.52 0.00 0.00 34.95 35.01 3kal s ARG 438 CO -0.04 -0.00 0.51 -3.47 0.02 0.00 0.00 175.30 172.32 3kal n ASP 439 N 3.53 -1.62 0.00 0.23 4.64 -1.26 -0.37 116.55 121.70 3kal n ASP 439 Ca -0.20 -1.05 0.00 0.00 -1.38 0.00 0.00 54.79 52.17 3kal n ASP 439 Cb 0.54 -1.42 0.00 0.00 -1.04 0.00 0.00 41.12 39.20 3kal n ASP 439 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3kal n GLY 440 N -0.98 1.02 3.62 0.27 0.00 -1.26 -5.03 105.19 102.84 3kal n GLY 440 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 3kal n GLY 440 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kal s ASN 441 N -2.99 4.63 0.10 1.61 0.01 0.50 -5.10 114.94 113.71 3kal s ASN 441 Ca 0.00 -0.30 0.09 0.00 -0.71 0.00 0.00 52.86 51.94 3kal s ASN 441 Cb 0.00 -0.98 -0.03 0.00 0.41 0.00 0.00 41.25 40.65 3kal s ASN 441 CO 0.00 0.18 -0.24 -1.66 -1.51 0.00 0.00 177.10 173.87 3kal s TRP 442 N -1.24 2.06 0.08 2.20 1.48 -1.26 -0.79 118.94 121.47 3kal s TRP 442 Ca 0.23 -0.40 0.00 0.00 -1.06 0.00 0.00 56.10 54.88 3kal s TRP 442 Cb -0.11 -1.15 -0.04 0.00 -1.16 0.00 0.00 33.47 31.01 3kal s TRP 442 CO 0.15 0.23 -0.04 0.34 -4.06 0.00 0.00 176.95 173.57 3kal s ASP 443 N -1.79 0.83 0.34 -2.66 -1.08 -0.38 -4.97 116.67 106.96 3kal s ASP 443 Ca 0.10 -1.02 -0.11 0.00 -0.52 0.00 0.00 52.55 51.01 3kal s ASP 443 Cb -0.10 0.15 -0.07 0.00 -1.46 0.00 0.00 42.92 41.44 3kal s ASP 443 CO 0.04 -0.54 0.70 0.42 0.52 0.00 0.00 175.17 176.31 3kal s THR 444 N -3.77 4.81 0.26 1.71 -4.23 -1.26 -0.96 115.64 112.20 3kal s THR 444 Ca 0.11 0.60 -0.21 0.00 -1.18 0.00 0.00 61.69 61.01 3kal s THR 444 Cb 0.07 -3.68 0.05 0.00 1.34 0.00 0.00 72.50 70.27 3kal s THR 444 CO -0.07 -0.34 0.86 -0.83 -0.54 0.00 0.00 174.62 173.70 3kal s GLY 445 N -2.81 0.01 -0.10 3.99 0.00 -0.89 -4.88 107.32 102.65 3kal s GLY 445 Ca 0.50 -0.30 0.02 0.00 0.00 0.00 0.00 44.72 44.94 3kal s GLY 445 CO 0.26 0.27 -0.15 0.30 0.00 0.00 0.00 173.10 173.78 3kal s HIS 446 N -3.07 1.91 0.29 1.90 3.76 -1.26 -1.71 115.29 117.11 3kal s HIS 446 Ca 0.14 -0.85 0.07 0.00 -0.15 0.00 0.00 55.06 54.27 3kal s HIS 446 Cb -0.04 -1.37 -0.06 0.00 1.11 0.00 0.00 32.58 32.22 3kal s HIS 446 CO 0.07 -0.43 -0.06 0.14 -0.85 0.00 0.00 174.74 173.61 3kal s VAL 447 N 0.86 1.68 0.26 -0.90 -7.23 0.07 -0.74 120.40 114.40 3kal s VAL 447 Ca -0.10 -2.12 0.11 0.00 -1.81 0.00 0.00 61.98 58.06 3kal s VAL 447 Cb -0.15 -2.49 -0.05 0.00 0.56 0.00 0.00 36.38 34.25 3kal s VAL 447 CO 0.01 -0.27 -0.19 0.27 -0.31 0.00 0.00 175.10 174.60 3kal s ILE 448 N -2.98 2.35 -0.04 -0.62 -4.36 0.86 -1.26 121.20 115.15 3kal s ILE 448 Ca 0.30 -2.36 0.04 0.00 -0.26 0.00 0.00 60.65 58.37 3kal s ILE 448 Cb 0.04 -2.25 -0.00 0.00 1.25 0.00 0.00 42.46 41.50 3kal s ILE 448 CO 0.13 -0.42 -0.17 -0.44 0.24 0.00 0.00 174.94 174.27 3kal s SER 449 N -3.44 2.18 -0.21 4.36 0.01 -1.26 -0.75 113.70 114.58 3kal s SER 449 Ca 0.28 -0.36 0.02 0.00 1.31 0.00 0.00 55.95 57.20 3kal s SER 449 Cb -0.04 -0.61 0.04 0.00 0.21 0.00 0.00 66.02 65.61 3kal s SER 449 CO 0.13 0.15 -0.15 -0.70 0.41 0.00 0.00 173.24 173.09 3kal s GLU 450 N 0.05 2.50 -0.27 12.44 2.12 0.14 -4.62 118.70 131.06 3kal s GLU 450 Ca -0.04 -1.02 -0.22 0.00 0.36 0.00 0.00 54.97 54.04 3kal s GLU 450 Cb -0.12 -2.65 -0.01 0.00 0.26 0.00 0.00 34.13 31.61 3kal s GLU 450 CO 0.02 -0.39 0.72 0.00 -0.54 0.00 0.00 175.26 175.07 3kal s ALA 451 N 1.24 3.59 -0.27 6.30 0.00 0.00 -1.59 121.76 131.03 3kal s ALA 451 Ca -0.02 -0.39 -0.09 0.00 0.00 0.00 0.00 51.96 51.46 3kal s ALA 451 Cb -0.16 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 3kal s ALA 451 CO -0.09 -0.98 0.13 0.20 0.00 0.00 0.00 175.76 175.03 3kal s GLY 452 N 1.50 1.85 -0.31 0.00 0.00 0.29 -1.18 107.32 109.47 3kal s GLY 452 Ca 0.30 -1.13 -0.08 0.00 0.00 0.00 0.00 44.72 43.81 3kal s GLY 452 CO 0.10 0.60 0.11 -0.42 0.00 0.00 0.00 173.10 173.49 3kal s ILE 453 N 1.69 4.18 0.35 0.90 -1.09 0.09 -0.67 121.20 126.64 3kal s ILE 453 Ca 0.07 -0.68 -0.26 0.00 -2.23 0.00 0.00 60.65 57.55 3kal s ILE 453 Cb -0.16 -3.19 -0.09 0.00 -1.58 0.00 0.00 42.46 37.44 3kal s ILE 453 CO 0.07 0.02 1.02 -0.36 -1.23 0.00 0.00 174.94 174.47 3kal s PHE 454 N 1.53 3.48 0.11 3.97 0.08 -0.41 -1.16 117.98 125.57 3kal s PHE 454 Ca 0.03 1.71 0.08 0.00 0.12 0.00 0.00 56.93 58.86 3kal s PHE 454 Cb -0.18 -3.09 -0.04 0.00 -0.57 0.00 0.00 43.02 39.14 3kal s PHE 454 CO 0.04 -0.33 -0.20 0.20 -0.10 0.00 0.00 175.22 174.82 3kal s GLY 455 N -1.43 1.26 -0.02 4.36 0.00 0.01 -1.54 107.32 109.95 3kal s GLY 455 Ca 0.52 -1.29 0.06 0.00 0.00 0.00 0.00 44.72 44.01 3kal s GLY 455 CO 0.29 -1.30 -0.19 -0.51 0.00 0.00 0.00 173.10 171.39 3kal s THR 456 N -1.35 1.47 -0.08 0.90 -4.23 -0.86 -0.41 115.64 111.09 3kal s THR 456 Ca 0.08 -0.79 -0.06 0.00 -1.18 0.00 0.00 61.69 59.73 3kal s THR 456 Cb -0.09 -1.23 0.02 0.00 1.34 0.00 0.00 72.50 72.54 3kal s THR 456 CO 0.05 0.42 0.20 -0.47 -0.54 0.00 0.00 174.62 174.28 3kal s TYR 457 N -0.39 -0.23 -0.26 3.99 6.14 -0.84 -0.26 117.35 125.51 3kal s TYR 457 Ca 0.06 0.57 -0.09 0.00 0.64 0.00 0.00 57.07 58.25 3kal s TYR 457 Cb -0.08 0.06 0.11 0.00 0.42 0.00 0.00 41.96 42.47 3kal s TYR 457 CO -0.00 -0.13 0.56 -1.17 0.64 0.00 0.00 175.55 175.45 3kal s LEU 458 N 0.36 -0.90 0.19 6.97 2.96 0.03 -0.86 118.68 127.42 3kal s LEU 458 Ca -0.02 1.33 0.07 0.00 -0.22 0.00 0.00 54.13 55.29 3kal s LEU 458 Cb -0.04 1.93 -0.05 0.00 0.50 0.00 0.00 46.19 48.54 3kal s LEU 458 CO -0.02 -0.22 -0.14 0.00 -1.32 0.00 0.00 176.35 174.65 3kal s ARG 459 N 2.62 1.25 -0.21 1.98 1.70 0.09 0.67 118.95 127.04 3kal s ARG 459 Ca -0.05 -1.53 -0.02 0.00 -0.47 0.00 0.00 55.73 53.66 3kal s ARG 459 Cb -0.11 -1.01 0.06 0.00 -0.57 0.00 0.00 34.95 33.32 3kal s ARG 459 CO -0.17 0.16 0.03 1.21 -1.08 0.00 0.00 175.30 175.46 3kal s ASN 460 N -3.21 3.15 1.48 -2.89 3.84 0.16 -2.38 114.94 115.10 3kal s ASN 460 Ca 0.20 -0.96 0.00 0.00 0.21 0.00 0.00 52.86 52.31 3kal s ASN 460 Cb -0.00 -0.69 0.00 0.00 -0.55 0.00 0.00 41.25 40.01 3kal s ASN 460 CO 0.05 -0.31 0.00 0.29 -2.79 0.00 0.00 177.10 174.34 3kal n LYS 461 N 4.99 0.00 -0.23 0.43 5.02 0.27 -1.68 118.16 126.95 3kal n LYS 461 Ca -0.09 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.25 3kal n LYS 461 Cb 0.46 0.00 0.16 0.00 -0.02 0.00 0.00 35.03 35.63 3kal n LYS 461 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3kal n ASP 462 N 3.46 2.15 -4.41 4.39 8.00 -1.26 -4.79 116.55 124.08 3kal n ASP 462 Ca 0.00 -2.12 -0.37 0.00 0.71 0.00 0.00 54.79 53.01 3kal n ASP 462 Cb 0.00 -0.32 -0.13 0.00 -0.02 0.00 0.00 41.12 40.65 3kal n ASP 462 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3kal s LYS 463 N -1.62 3.46 -0.37 -1.24 2.20 -0.67 -5.06 119.74 116.43 3kal s LYS 463 Ca 0.23 -0.61 -0.25 0.00 -0.36 0.00 0.00 55.97 54.98 3kal s LYS 463 Cb 0.14 -3.34 0.01 0.00 -1.51 0.00 0.00 37.83 33.12 3kal s LYS 463 CO 0.13 -0.28 0.86 0.42 -0.36 0.00 0.00 175.35 176.12 3kal s ILE 464 N 1.58 4.65 -0.09 5.43 -1.09 -1.26 -0.67 121.20 129.75 3kal s ILE 464 Ca 0.05 1.04 0.01 0.00 -2.23 0.00 0.00 60.65 59.52 3kal s ILE 464 Cb -0.16 -4.28 -0.25 0.00 -1.58 0.00 0.00 42.46 36.19 3kal s ILE 464 CO 0.03 -0.50 0.47 -0.38 -1.23 0.00 0.00 174.94 173.33 3kal n ILE 465 N 5.90 1.71 -3.71 2.92 5.41 0.21 -4.89 119.36 126.92 3kal n ILE 465 Ca 0.05 -0.71 -0.16 0.00 1.00 0.00 0.00 62.75 62.93 3kal n ILE 465 Cb 0.48 -1.45 -0.16 0.00 -0.71 0.00 0.00 39.64 37.80 3kal n ILE 465 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3kal s ILE 466 N -2.57 -0.12 -0.39 1.39 1.01 -0.77 -4.94 121.20 114.80 3kal s ILE 466 Ca -0.16 0.29 0.04 0.00 0.00 0.00 0.00 60.65 60.82 3kal s ILE 466 Cb 0.07 -0.20 0.16 0.00 0.01 0.00 0.00 42.46 42.51 3kal s ILE 466 CO 0.79 0.12 0.41 0.21 0.00 0.00 0.00 174.94 176.47 3kal s ASN 467 N 1.67 0.95 0.05 3.58 3.84 -1.25 -0.79 114.94 122.99 3kal s ASN 467 Ca -0.03 -1.85 0.05 0.00 0.21 0.00 0.00 52.86 51.24 3kal s ASN 467 Cb -0.12 0.53 -0.02 0.00 -0.55 0.00 0.00 41.25 41.09 3kal s ASN 467 CO -0.05 -0.22 -0.14 0.20 -2.79 0.00 0.00 177.10 174.10 3kal s ASN 468 N 1.14 1.67 0.06 -4.21 0.02 0.64 -4.77 114.94 109.48 3kal s ASN 468 Ca 0.21 -0.51 -0.30 0.00 -1.02 0.00 0.00 52.86 51.24 3kal s ASN 468 Cb -0.11 -0.09 -0.05 0.00 0.02 0.00 0.00 41.25 41.02 3kal s ASN 468 CO -0.05 -0.00 1.14 -0.70 0.02 0.00 0.00 177.10 177.51 3kal s GLU 469 N -1.33 4.47 -0.36 -0.60 -6.30 -1.26 -2.02 118.70 111.30 3kal s GLU 469 Ca 0.00 1.68 0.13 0.00 -2.50 0.00 0.00 54.97 54.29 3kal s GLU 469 Cb -0.09 -3.37 0.45 0.00 0.00 0.00 0.00 34.13 31.12 3kal s GLU 469 CO 0.02 -0.18 1.02 0.43 0.02 0.00 0.00 175.26 176.56 3kal n SER 470 N 3.81 2.72 0.00 -1.70 7.64 -0.59 -4.91 113.62 120.59 3kal n SER 470 Ca 0.08 -3.09 0.00 0.00 1.01 0.00 0.00 58.87 56.86 3kal n SER 470 Cb 0.47 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 3kal n SER 470 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kal n GLY 471 N -0.23 -1.81 3.71 0.23 0.00 -1.26 -3.97 105.19 101.85 3kal n GLY 471 Ca 0.21 -1.85 -0.10 0.00 0.00 0.00 0.00 46.02 44.29 3kal n GLY 471 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kal s TYR 472 N 0.00 0.28 0.06 1.61 -0.85 -1.26 -1.28 117.35 115.90 3kal s TYR 472 Ca 0.00 -0.75 -0.02 0.00 -0.52 0.00 0.00 57.07 55.78 3kal s TYR 472 Cb 0.00 0.48 -0.03 0.00 0.38 0.00 0.00 41.96 42.79 3kal s TYR 472 CO 0.00 -1.27 0.01 0.00 -1.52 0.00 0.00 175.55 172.77 3kal s MET 473 N -3.24 0.64 -0.06 -3.49 0.23 0.16 -4.19 119.30 109.35 3kal s MET 473 Ca 0.19 -1.14 0.02 0.00 -1.03 0.00 0.00 55.69 53.73 3kal s MET 473 Cb -0.03 0.23 0.02 0.00 -1.53 0.00 0.00 34.83 33.52 3kal s MET 473 CO 0.11 -0.14 -0.09 0.08 -2.03 0.00 0.00 175.02 172.96 3kal s VAL 474 N -3.79 0.88 -0.12 5.16 1.01 -1.24 0.10 120.40 122.40 3kal s VAL 474 Ca 0.06 -0.31 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 3kal s VAL 474 Cb 0.07 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.58 3kal s VAL 474 CO -0.10 0.30 -0.08 -0.60 0.00 0.00 0.00 175.10 174.63 3kal s ARG 475 N 0.85 3.30 0.03 2.72 3.52 -0.62 -1.05 118.95 127.70 3kal s ARG 475 Ca -0.12 -0.59 0.06 0.00 -0.13 0.00 0.00 55.73 54.96 3kal s ARG 475 Cb -0.15 -2.72 -0.02 0.00 -1.56 0.00 0.00 34.95 30.50 3kal s ARG 475 CO 0.01 0.36 -0.18 0.99 -0.81 0.00 0.00 175.30 175.67 3kal s THR 476 N 0.02 1.44 0.10 4.11 2.01 -0.10 0.26 115.64 123.48 3kal s THR 476 Ca -0.02 -1.05 -0.14 0.00 0.31 0.00 0.00 61.69 60.79 3kal s THR 476 Cb -0.14 -1.26 0.02 0.00 0.01 0.00 0.00 72.50 71.14 3kal s THR 476 CO 0.03 0.18 0.34 -1.59 -0.69 0.00 0.00 174.62 172.90 3kal s LYS 477 N -1.02 0.97 0.18 4.92 -2.85 0.07 -0.47 119.74 121.54 3kal s LYS 477 Ca 0.06 -0.71 -0.33 0.00 -1.00 0.00 0.00 55.97 53.99 3kal s LYS 477 Cb -0.08 0.42 -0.15 0.00 -2.06 0.00 0.00 37.83 35.96 3kal s LYS 477 CO 0.01 -0.35 1.41 -0.89 0.10 0.00 0.00 175.35 175.63 3kal n ILE 478 N -0.02 0.47 -0.13 3.79 2.08 -1.26 -0.09 119.36 124.19 3kal n ILE 478 Ca -0.16 -0.12 0.18 0.00 0.56 0.00 0.00 62.75 63.21 3kal n ILE 478 Cb 0.63 -1.27 0.56 0.00 -0.75 0.00 0.00 39.64 38.81 3kal n ILE 478 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 176.55 177.88 3kal h SER 479 N 4.68 0.27 0.17 4.38 4.64 -1.22 -0.80 113.55 125.66 3kal h SER 479 Ca -0.45 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3kal h SER 479 Cb 1.29 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3kal h SER 479 CO 0.79 0.14 -0.50 -1.54 -0.87 0.00 0.00 176.83 174.85 3kal n SER 480 N -4.44 1.23 -4.77 4.97 3.41 -1.26 -4.82 113.62 107.93 3kal n SER 480 Ca 0.14 -0.98 -0.40 0.00 -0.26 0.00 0.00 58.87 57.36 3kal n SER 480 Cb 0.59 0.41 -0.00 0.00 -0.26 0.00 0.00 64.21 64.95 3kal n SER 480 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3kal s SER 481 N -2.67 6.39 -0.11 4.04 0.01 -0.31 -4.95 113.70 116.09 3kal s SER 481 Ca 0.17 2.84 -0.18 0.00 1.31 0.00 0.00 55.95 60.09 3kal s SER 481 Cb 0.18 -2.65 -0.16 0.00 0.21 0.00 0.00 66.02 63.60 3kal s SER 481 CO 0.63 -0.82 0.52 1.88 0.41 0.00 0.00 173.24 175.86 3kal h TYR 482 N 2.93 -0.02 -3.78 2.43 0.05 -1.92 -3.46 116.97 113.19 3kal h TYR 482 Ca -0.50 -0.00 -0.48 0.00 0.05 0.00 0.00 58.73 57.79 3kal h TYR 482 Cb 1.24 0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.97 3kal h TYR 482 CO 0.53 0.56 0.30 -1.21 -1.05 0.00 0.00 178.16 177.29 3kal s GLU 483 N -2.14 4.59 -0.04 4.88 2.02 -1.26 -4.99 118.70 121.76 3kal s GLU 483 Ca -0.12 1.28 0.14 0.00 0.02 0.00 0.00 54.97 56.30 3kal s GLU 483 Cb -0.02 -2.94 0.26 0.00 0.10 0.00 0.00 34.13 31.54 3kal s GLU 483 CO 0.42 0.37 1.11 0.41 0.02 0.00 0.00 175.26 177.59 3kal n GLY 484 N 0.84 1.71 3.66 -1.39 0.00 -1.26 -4.75 105.19 104.00 3kal n GLY 484 Ca -0.00 -0.64 -0.48 0.00 0.00 0.00 0.00 46.02 44.90 3kal n GLY 484 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kal n GLY 485 N -0.06 1.05 0.08 -0.02 0.00 -1.26 -3.55 105.19 101.42 3kal n GLY 485 Ca 0.06 0.71 -0.14 0.00 0.00 0.00 0.00 46.02 46.65 3kal n GLY 485 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kal h VAL 486 N 3.97 1.59 -0.28 1.61 2.07 -1.93 0.51 116.25 123.79 3kal h VAL 486 Ca -0.46 -1.90 -0.06 0.00 0.82 0.00 0.00 66.70 65.10 3kal h VAL 486 Cb 1.27 2.83 -0.01 0.00 -1.52 0.00 0.00 31.29 33.87 3kal h VAL 486 CO 0.88 0.51 -0.05 -0.07 0.02 0.00 0.00 177.57 178.86 3kal h LEU 487 N -0.65 0.54 -9.91 2.57 3.38 -1.92 -3.38 115.31 105.94 3kal h LEU 487 Ca -0.02 -0.35 -0.53 0.00 0.09 0.00 0.00 57.88 57.07 3kal h LEU 487 Cb 0.90 -0.15 0.09 0.00 0.09 0.00 0.00 40.66 41.59 3kal h LEU 487 CO 0.02 0.76 0.74 -2.84 0.09 0.00 0.00 178.44 177.21 3kal s PRO 488 N -4.83 4.20 -1.46 1.13 0.02 -1.25 -4.87 135.00 127.93 3kal s PRO 488 Ca -0.13 2.45 -0.09 0.00 0.02 0.00 0.00 61.00 63.25 3kal s PRO 488 Cb 0.08 -3.01 0.03 0.00 0.02 0.00 0.00 34.50 31.62 3kal s PRO 488 CO 0.77 -0.42 2.58 0.41 -0.33 0.00 0.00 177.00 180.01 3kal n GLY 489 N 0.70 4.68 0.00 0.52 0.00 -1.26 -4.42 105.19 105.41 3kal n GLY 489 Ca 0.01 -1.77 0.03 0.00 0.00 0.00 0.00 46.02 44.28 3kal n GLY 489 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kal n PHE 490 N 3.13 0.00 -4.14 1.61 3.01 0.11 -5.03 117.46 116.15 3kal n PHE 490 Ca 0.67 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 59.02 3kal n PHE 490 Cb 0.26 -0.11 -0.09 0.00 -0.01 0.00 0.00 39.48 39.53 3kal n PHE 490 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3kal s GLY 491 N -2.50 1.10 0.13 1.37 0.00 -0.82 -4.56 107.32 102.04 3kal s GLY 491 Ca -0.02 -1.45 0.06 0.00 0.00 0.00 0.00 44.72 43.32 3kal s GLY 491 CO 0.22 -1.23 -0.15 -1.34 0.00 0.00 0.00 173.10 170.60 3kal s VAL 492 N -4.09 1.44 0.41 1.40 -7.23 0.38 -4.41 120.40 108.30 3kal s VAL 492 Ca 0.31 -1.75 -0.09 0.00 -1.81 0.00 0.00 61.98 58.64 3kal s VAL 492 Cb 0.06 -1.59 -0.06 0.00 0.56 0.00 0.00 36.38 35.35 3kal s VAL 492 CO 0.08 -0.38 0.76 0.68 -0.31 0.00 0.00 175.10 175.93 3kal s VAL 493 N -2.07 4.83 0.16 1.32 -7.23 0.06 -0.92 120.40 116.54 3kal s VAL 493 Ca 0.10 0.49 -0.01 0.00 -1.81 0.00 0.00 61.98 60.75 3kal s VAL 493 Cb -0.05 -3.76 0.00 0.00 0.56 0.00 0.00 36.38 33.13 3kal s VAL 493 CO 0.04 -0.58 0.22 -0.67 -0.31 0.00 0.00 175.10 173.79 3kal n ASP 494 N -1.49 -0.61 0.00 4.85 -0.08 -0.22 -1.03 116.55 117.98 3kal n ASP 494 Ca 0.02 -1.84 0.00 0.00 -1.51 0.00 0.00 54.79 51.46 3kal n ASP 494 Cb 0.54 1.13 0.00 0.00 2.34 0.00 0.00 41.12 45.14 3kal n ASP 494 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 3kal n THR 495 N -0.26 0.00 -3.94 5.18 -2.24 -1.26 -3.61 114.28 108.15 3kal n THR 495 Ca 0.00 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 3kal n THR 495 Cb 0.26 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.40 3kal n THR 495 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3kal s VAL 496 N 1.50 0.15 -0.23 2.28 -7.23 -1.26 -4.38 120.40 111.23 3kal s VAL 496 Ca 0.00 -1.25 -0.02 0.00 -1.81 0.00 0.00 61.98 58.90 3kal s VAL 496 Cb 0.00 -1.13 0.01 0.00 0.56 0.00 0.00 36.38 35.82 3kal s VAL 496 CO 0.00 -0.69 -0.08 -0.47 -0.31 0.00 0.00 175.10 173.55 3kal s TYR 497 N -3.18 2.98 -0.00 2.82 6.14 0.57 -4.25 117.35 122.43 3kal s TYR 497 Ca -0.00 -1.39 -0.30 0.00 0.64 0.00 0.00 57.07 56.02 3kal s TYR 497 Cb 0.02 -2.05 -0.04 0.00 0.42 0.00 0.00 41.96 40.32 3kal s TYR 497 CO -0.07 -0.69 1.12 -0.51 0.64 0.00 0.00 175.55 176.04 3kal s LEU 498 N 1.36 4.33 0.00 6.97 1.43 0.25 -1.91 118.68 131.12 3kal s LEU 498 Ca 0.03 1.82 0.00 0.00 -1.03 0.00 0.00 54.13 54.94 3kal s LEU 498 Cb -0.15 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.50 3kal s LEU 498 CO -0.06 -0.44 0.14 0.35 0.23 0.00 0.00 176.35 176.57