#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ice h LEU 3 N 0.00 -0.58 -0.11 1.20 6.46 -1.92 -0.92 115.31 119.44 3ice h LEU 3 Ca 0.00 0.12 0.03 0.00 -0.12 0.00 0.00 57.88 57.91 3ice h LEU 3 Cb 0.00 0.30 -0.03 0.00 -0.73 0.00 0.00 40.66 40.20 3ice h LEU 3 CO 0.00 -0.22 -0.08 0.74 -0.62 0.00 0.00 178.44 178.27 3ice h THR 4 N -0.16 0.76 -0.58 1.05 2.02 -1.94 -0.12 112.91 113.95 3ice h THR 4 Ca 0.15 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.32 3ice h THR 4 Cb 0.38 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 3ice h THR 4 CO -0.36 0.00 0.35 -0.33 0.37 0.00 0.00 175.52 175.55 3ice h GLU 5 N -0.09 0.78 -0.26 6.66 5.08 -1.85 -0.75 114.58 124.15 3ice h GLU 5 Ca 0.07 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 3ice h GLU 5 Cb 0.19 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3ice h GLU 5 CO -0.16 0.56 -0.25 1.25 -1.00 0.00 0.00 179.01 179.40 3ice h LEU 6 N 0.78 0.50 -0.34 1.33 5.85 -0.99 -1.36 115.31 121.08 3ice h LEU 6 Ca 0.21 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 3ice h LEU 6 Cb -0.03 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 3ice h LEU 6 CO -0.04 0.75 0.11 0.50 -0.34 0.00 0.00 178.44 179.42 3ice h LYS 7 N 0.44 0.53 -0.38 1.25 3.64 -0.43 -3.21 116.57 118.41 3ice h LYS 7 Ca 0.06 -0.11 -0.06 0.00 -1.27 0.00 0.00 60.65 59.27 3ice h LYS 7 Cb 0.68 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 3ice h LYS 7 CO 0.05 0.55 0.00 -0.91 -2.27 0.00 0.00 179.45 176.88 3ice h ASN 8 N 0.40 0.65 -3.23 4.20 2.35 -0.91 -3.45 115.58 115.59 3ice h ASN 8 Ca 0.11 -0.31 -0.58 0.00 -0.55 0.00 0.00 56.30 54.98 3ice h ASN 8 Cb 0.24 -0.17 0.16 0.00 0.05 0.00 0.00 38.32 38.60 3ice h ASN 8 CO -0.00 0.80 -0.10 0.35 -1.65 0.00 0.00 177.43 176.82 3ice n THR 9 N -4.48 2.93 -2.41 2.81 -2.24 -0.54 -4.89 114.28 105.47 3ice n THR 9 Ca -0.01 -0.50 -0.40 0.00 -2.27 0.00 0.00 64.05 60.86 3ice n THR 9 Cb 0.28 -0.94 -0.04 0.00 -2.10 0.00 0.00 70.33 67.53 3ice n THR 9 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3ice s PRO 10 N -2.37 4.58 0.34 -0.78 0.04 -1.26 -4.87 135.00 130.67 3ice s PRO 10 Ca 0.71 1.87 0.12 0.00 0.04 0.00 0.00 61.00 63.75 3ice s PRO 10 Cb -0.45 -3.18 0.97 0.00 0.04 0.00 0.00 34.50 31.89 3ice s PRO 10 CO 0.51 0.12 1.71 -0.39 0.04 0.00 0.00 177.00 178.99 3ice h VAL 11 N 3.18 0.46 -0.73 -0.36 -1.51 -1.93 0.29 116.25 115.66 3ice h VAL 11 Ca -0.47 -0.17 0.05 0.00 -1.23 0.00 0.00 66.70 64.88 3ice h VAL 11 Cb 1.21 -0.06 -0.05 0.00 -2.13 0.00 0.00 31.29 30.26 3ice h VAL 11 CO 0.68 0.09 0.44 0.28 -1.23 0.00 0.00 177.57 177.83 3ice h SER 12 N 0.49 0.70 0.47 4.19 0.02 -2.02 -1.08 113.55 116.32 3ice h SER 12 Ca 0.67 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.55 3ice h SER 12 Cb 1.40 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.80 3ice h SER 12 CO -0.49 0.47 -0.38 -0.08 -1.14 0.00 0.00 176.83 175.21 3ice h GLU 13 N 0.84 0.00 -0.30 3.45 4.81 -0.81 -3.20 114.58 119.36 3ice h GLU 13 Ca 0.31 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.43 3ice h GLU 13 Cb 0.10 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 3ice h GLU 13 CO -0.14 0.38 -0.23 -0.07 -0.73 0.00 0.00 179.01 178.22 3ice h LEU 14 N 0.00 0.73 -0.33 1.64 -0.00 -0.42 -2.70 115.31 114.23 3ice h LEU 14 Ca -0.00 -0.44 -0.05 0.00 -0.00 0.00 0.00 57.88 57.38 3ice h LEU 14 Cb 0.71 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 41.16 3ice h LEU 14 CO 0.05 1.02 0.02 0.40 -0.00 0.00 0.00 178.44 179.92 3ice h ILE 15 N 0.44 1.25 -0.26 1.22 5.03 -1.44 -0.41 117.51 123.35 3ice h ILE 15 Ca 0.06 -0.92 0.04 0.00 -0.12 0.00 0.00 64.86 63.92 3ice h ILE 15 Cb 0.78 1.21 -0.03 0.00 -3.03 0.00 0.00 36.82 35.74 3ice h ILE 15 CO 0.06 0.30 0.04 0.74 -0.68 0.00 0.00 178.15 178.61 3ice h THR 16 N 0.38 0.87 -0.67 -0.27 2.02 -1.64 -1.64 112.91 111.95 3ice h THR 16 Ca 0.09 -0.05 0.13 0.00 0.77 0.00 0.00 66.41 67.36 3ice h THR 16 Cb 0.42 0.72 -0.13 0.00 -1.74 0.00 0.00 68.15 67.42 3ice h THR 16 CO 0.01 0.02 -0.18 0.25 0.37 0.00 0.00 175.52 176.00 3ice h LEU 17 N 0.14 -0.66 -0.53 2.58 6.46 -1.09 -2.01 115.31 120.18 3ice h LEU 17 Ca 0.12 0.21 -0.12 0.00 -0.12 0.00 0.00 57.88 57.96 3ice h LEU 17 Cb 0.13 0.43 -0.02 0.00 -0.73 0.00 0.00 40.66 40.47 3ice h LEU 17 CO -0.17 -0.23 -0.15 1.23 -0.62 0.00 0.00 178.44 178.50 3ice h GLY 18 N -0.01 1.11 0.40 3.75 0.00 -0.52 -2.45 103.07 105.35 3ice h GLY 18 Ca 0.32 -0.93 0.10 0.00 0.00 0.00 0.00 47.33 46.82 3ice h GLY 18 CO -0.70 0.85 0.30 0.83 0.00 0.00 0.00 176.54 177.82 3ice h GLU 19 N 0.90 0.49 -1.90 4.80 4.39 -0.79 -0.69 114.58 121.77 3ice h GLU 19 Ca 0.13 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.80 3ice h GLU 19 Cb 0.73 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 3ice h GLU 19 CO 0.06 0.32 0.00 0.09 -1.16 0.00 0.00 179.01 178.32 3ice n ASN 20 N -4.93 1.79 0.00 1.42 5.03 -0.81 -5.12 115.26 112.64 3ice n ASN 20 Ca 0.10 -1.33 0.00 0.00 0.87 0.00 0.00 54.58 54.22 3ice n ASN 20 Cb 0.29 -0.37 0.00 0.00 -1.02 0.00 0.00 39.78 38.69 3ice n ASN 20 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3ice n GLY 22 N 1.56 1.00 0.00 7.41 0.00 -0.27 -5.11 105.19 109.77 3ice n GLY 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3ice n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ice n ARG 30 N 0.00 0.00 -0.27 1.61 1.74 -1.26 -5.18 116.66 113.31 3ice n ARG 30 Ca 0.00 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.15 3ice n ARG 30 Cb 0.23 0.00 0.21 0.00 -1.02 0.00 0.00 32.46 31.88 3ice n ARG 30 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 3ice h LYS 31 N 0.00 0.41 -0.44 5.56 2.10 -2.01 0.20 116.57 122.39 3ice h LYS 31 Ca 0.00 -0.02 0.09 0.00 -2.00 0.00 0.00 60.65 58.71 3ice h LYS 31 Cb 0.00 -0.09 -0.09 0.00 -0.90 0.00 0.00 32.23 31.15 3ice h LYS 31 CO 0.00 0.27 -0.14 -0.56 -2.00 0.00 0.00 179.45 177.02 3ice h GLN 32 N 0.43 -0.04 0.35 0.07 3.07 -1.99 0.27 115.11 117.26 3ice h GLN 32 Ca 0.44 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 59.18 3ice h GLN 32 Cb 0.71 0.01 -0.03 0.00 0.08 0.00 0.00 27.48 28.25 3ice h GLN 32 CO -0.44 -0.02 -0.43 -0.44 0.09 0.00 0.00 178.83 177.59 3ice h ASP 33 N -0.04 -1.20 -0.52 0.06 3.32 -1.10 0.34 116.42 117.29 3ice h ASP 33 Ca 0.21 0.11 0.06 0.00 0.02 0.00 0.00 57.03 57.43 3ice h ASP 33 Cb 0.36 0.41 -0.09 0.00 0.22 0.00 0.00 39.33 40.24 3ice h ASP 33 CO -0.47 -0.56 -0.55 0.40 -1.72 0.00 0.00 179.24 176.33 3ice h ILE 34 N -0.82 0.00 -0.20 0.35 2.04 -0.72 0.12 117.51 118.29 3ice h ILE 34 Ca -0.03 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.86 3ice h ILE 34 Cb 0.75 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 3ice h ILE 34 CO -0.11 0.00 -0.27 0.40 0.00 0.00 0.00 178.15 178.17 3ice h ILE 35 N -0.30 0.00 -0.94 -0.67 2.04 -0.08 0.77 117.51 118.32 3ice h ILE 35 Ca 0.09 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.09 3ice h ILE 35 Cb 0.54 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.47 3ice h ILE 35 CO -0.65 0.00 -0.40 -0.26 0.00 0.00 0.00 178.15 176.84 3ice h PHE 36 N -0.19 -1.12 -0.52 1.37 0.05 0.21 0.16 116.94 116.89 3ice h PHE 36 Ca 0.03 0.10 0.07 0.00 3.82 0.00 0.00 57.97 62.00 3ice h PHE 36 Cb 0.29 0.63 -0.06 0.00 2.00 0.00 0.00 35.95 38.81 3ice h PHE 36 CO -0.66 -0.40 0.20 0.00 -0.18 0.00 0.00 178.31 177.27 3ice h ALA 37 N 1.27 0.65 0.33 2.45 0.00 0.11 -0.90 119.26 123.18 3ice h ALA 37 Ca 0.32 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 3ice h ALA 37 Cb 0.58 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3ice h ALA 37 CO -0.95 -0.19 -0.30 0.82 0.00 0.00 0.00 179.25 178.64 3ice h ILE 38 N 0.39 0.00 -1.01 0.00 2.04 0.16 -0.54 117.51 118.55 3ice h ILE 38 Ca 0.25 0.00 0.32 0.00 1.00 0.00 0.00 64.86 66.43 3ice h ILE 38 Cb 0.26 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.19 3ice h ILE 38 CO -0.24 0.00 0.58 -0.07 0.00 0.00 0.00 178.15 178.42 3ice h LEU 39 N -0.62 0.53 -0.63 1.44 4.07 -0.74 0.53 115.31 119.89 3ice h LEU 39 Ca -0.04 0.18 -0.12 0.00 0.08 0.00 0.00 57.88 57.98 3ice h LEU 39 Cb 0.53 0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.38 3ice h LEU 39 CO -0.02 -0.11 -0.20 0.50 -1.08 0.00 0.00 178.44 177.53 3ice h LYS 40 N 0.35 0.86 -0.79 1.13 3.64 -0.78 -2.30 116.57 118.68 3ice h LYS 40 Ca 0.73 -0.35 0.11 0.00 -1.27 0.00 0.00 60.65 59.87 3ice h LYS 40 Cb 1.64 -0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 33.34 3ice h LYS 40 CO -0.59 0.99 0.42 0.37 -2.27 0.00 0.00 179.45 178.37 3ice h GLN 41 N 0.75 0.65 -0.47 1.90 5.75 0.17 -0.69 115.11 123.17 3ice h GLN 41 Ca 0.11 -0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.58 3ice h GLN 41 Cb 0.74 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 29.12 3ice h GLN 41 CO 0.06 0.43 0.31 0.45 -2.65 0.00 0.00 178.83 177.43 3ice h HIS 42 N 0.67 0.56 -0.46 3.99 3.86 -0.82 -1.42 115.15 121.54 3ice h HIS 42 Ca 0.40 0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.56 3ice h HIS 42 Cb 0.46 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.72 3ice h HIS 42 CO -0.09 0.35 0.03 0.00 0.86 0.00 0.00 177.93 179.08 3ice h ALA 43 N 1.71 1.21 -0.28 2.45 0.00 -0.88 -2.57 119.26 120.90 3ice h ALA 43 Ca 0.18 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.89 3ice h ALA 43 Cb -0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3ice h ALA 43 CO -0.04 0.53 0.09 0.87 0.00 0.00 0.00 179.25 180.69 3ice h LYS 44 N 0.69 0.20 0.00 0.00 1.57 -0.98 -0.63 116.57 117.42 3ice h LYS 44 Ca 0.14 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 3ice h LYS 44 Cb 0.38 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 3ice h LYS 44 CO 0.01 0.13 -0.11 0.66 -0.57 0.00 0.00 179.45 179.57 3ice h SER 45 N 0.21 0.00 0.00 0.86 4.64 -1.44 -3.46 113.55 114.36 3ice h SER 45 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3ice h SER 45 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3ice h SER 45 CO -0.14 0.11 0.00 0.61 -0.87 0.00 0.00 176.83 176.54 3ice n GLY 46 N -0.60 0.84 3.72 -0.77 0.00 -0.24 -5.04 105.19 103.10 3ice n GLY 46 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 3ice n GLY 46 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3ice n GLU 47 N -2.00 1.30 -2.17 1.61 0.28 -1.10 -4.93 120.64 113.63 3ice n GLU 47 Ca 0.00 0.50 -0.40 0.00 -0.16 0.00 0.00 57.16 57.10 3ice n GLU 47 Cb 0.00 -2.51 -0.02 0.00 1.43 0.00 0.00 31.44 30.34 3ice n GLU 47 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3ice s ASP 48 N -1.20 6.72 -0.02 -1.84 1.01 -1.26 -4.55 116.67 115.52 3ice s ASP 48 Ca 0.78 2.59 0.07 0.00 0.71 0.00 0.00 52.55 56.71 3ice s ASP 48 Cb -0.40 -2.64 -0.02 0.00 1.01 0.00 0.00 42.92 40.87 3ice s ASP 48 CO 0.44 -0.56 -0.24 -0.51 0.21 0.00 0.00 175.17 174.51 3ice s ILE 49 N -1.20 1.92 0.05 0.77 2.07 -1.26 -5.02 121.20 118.52 3ice s ILE 49 Ca 0.51 -1.04 0.05 0.00 -1.41 0.00 0.00 60.65 58.76 3ice s ILE 49 Cb -0.37 -1.59 -0.02 0.00 0.13 0.00 0.00 42.46 40.60 3ice s ILE 49 CO 0.49 0.54 -0.13 -0.36 -1.91 0.00 0.00 174.94 173.57 3ice s PHE 50 N -0.54 1.15 0.24 3.50 0.08 -1.26 -1.76 117.98 119.39 3ice s PHE 50 Ca 0.09 -0.38 0.01 0.00 0.12 0.00 0.00 56.93 56.77 3ice s PHE 50 Cb -0.10 -0.67 -0.04 0.00 -0.57 0.00 0.00 43.02 41.64 3ice s PHE 50 CO -0.01 0.03 0.16 0.20 -0.10 0.00 0.00 175.22 175.51 3ice s GLY 51 N -1.30 1.72 -0.06 4.36 0.00 -1.24 -2.67 107.32 108.13 3ice s GLY 51 Ca -0.00 -1.80 -0.24 0.00 0.00 0.00 0.00 44.72 42.68 3ice s GLY 51 CO 0.01 -1.45 0.53 0.51 0.00 0.00 0.00 173.10 172.70 3ice s ASP 52 N -3.24 -0.48 0.01 1.64 1.47 -1.26 -3.57 116.67 111.23 3ice s ASP 52 Ca 0.39 0.54 -0.20 0.00 1.18 0.00 0.00 52.55 54.46 3ice s ASP 52 Cb 0.06 0.54 0.07 0.00 -0.34 0.00 0.00 42.92 43.24 3ice s ASP 52 CO 0.16 -0.50 0.92 0.61 0.68 0.00 0.00 175.17 177.05 3ice n GLY 53 N 1.28 0.40 3.37 2.12 0.00 -1.10 -4.87 105.19 106.40 3ice n GLY 53 Ca -0.19 -1.01 -0.35 0.00 0.00 0.00 0.00 46.02 44.47 3ice n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ice s VAL 54 N -2.07 3.55 0.42 1.61 1.01 -0.73 -1.74 120.40 122.45 3ice s VAL 54 Ca 0.22 -0.45 -0.26 0.00 0.00 0.00 0.00 61.98 61.49 3ice s VAL 54 Cb -0.01 -2.60 -0.10 0.00 0.00 0.00 0.00 36.38 33.68 3ice s VAL 54 CO 0.00 0.44 1.33 -0.11 0.00 0.00 0.00 175.10 176.76 3ice n LEU 55 N 4.37 4.28 -3.55 3.92 7.94 0.11 -2.09 117.00 131.98 3ice n LEU 55 Ca -0.18 1.13 -0.29 0.00 -1.11 0.00 0.00 56.01 55.56 3ice n LEU 55 Cb 0.51 -1.53 -0.12 0.00 0.53 0.00 0.00 43.42 42.81 3ice n LEU 55 CO 0.30 -0.45 -0.29 -0.70 -1.11 0.00 0.00 177.39 175.14 3ice s GLU 56 N -2.21 0.83 0.19 1.96 2.12 -0.33 -0.94 118.70 120.32 3ice s GLU 56 Ca 0.60 -1.60 -0.32 0.00 0.36 0.00 0.00 54.97 54.01 3ice s GLU 56 Cb -0.50 -1.69 -0.11 0.00 0.26 0.00 0.00 34.13 32.09 3ice s GLU 56 CO 0.59 -1.20 1.72 0.42 -0.54 0.00 0.00 175.26 176.25 3ice s ILE 57 N 0.78 2.16 0.10 -3.70 1.01 -1.26 -3.14 121.20 117.15 3ice s ILE 57 Ca 0.18 0.07 -0.00 0.00 0.00 0.00 0.00 60.65 60.90 3ice s ILE 57 Cb -0.23 -3.04 0.02 0.00 0.01 0.00 0.00 42.46 39.22 3ice s ILE 57 CO 0.00 0.00 0.14 0.18 0.00 0.00 0.00 174.94 175.26 3ice n LEU 58 N 4.23 0.00 -0.11 2.97 4.77 0.26 -4.93 117.00 124.20 3ice n LEU 58 Ca 0.16 -0.29 -0.08 0.00 -0.03 0.00 0.00 56.01 55.77 3ice n LEU 58 Cb 0.36 -0.09 0.07 0.00 -2.33 0.00 0.00 43.42 41.43 3ice n LEU 58 CO 0.64 -0.57 0.71 -0.61 -1.33 0.00 0.00 177.39 176.23 3ice h GLN 59 N 0.00 0.83 -0.03 3.23 4.15 -1.94 -2.99 115.11 118.35 3ice h GLN 59 Ca -0.05 -0.33 0.00 0.00 0.77 0.00 0.00 58.65 59.05 3ice h GLN 59 Cb 0.17 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.82 3ice h GLN 59 CO 0.05 0.96 0.00 -0.25 -1.93 0.00 0.00 178.83 177.66 3ice n ASP 60 N -4.12 0.55 0.00 -0.69 8.00 -1.26 -4.90 116.55 114.13 3ice n ASP 60 Ca 0.00 -1.36 0.00 0.00 0.71 0.00 0.00 54.79 54.15 3ice n ASP 60 Cb 0.43 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.51 3ice n ASP 60 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ice n GLY 61 N 0.98 1.85 3.86 0.44 0.00 -1.13 -5.05 105.19 106.13 3ice n GLY 61 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 3ice n GLY 61 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ice s PHE 62 N -2.47 3.23 0.34 1.61 -0.12 -1.26 -4.41 117.98 114.89 3ice s PHE 62 Ca 0.00 -0.04 0.06 0.00 -0.05 0.00 0.00 56.93 56.90 3ice s PHE 62 Cb 0.00 -1.50 -0.03 0.00 -0.63 0.00 0.00 43.02 40.86 3ice s PHE 62 CO 0.00 0.51 0.24 0.20 -0.05 0.00 0.00 175.22 176.11 3ice s GLY 63 N -3.57 2.34 0.32 1.99 0.00 -1.15 -0.57 107.32 106.68 3ice s GLY 63 Ca 0.33 -1.88 0.05 0.00 0.00 0.00 0.00 44.72 43.22 3ice s GLY 63 CO 0.26 -1.54 0.01 -1.36 0.00 0.00 0.00 173.10 170.46 3ice s PHE 64 N -3.45 2.04 -0.46 1.90 0.08 -1.19 -0.91 117.98 115.99 3ice s PHE 64 Ca 0.37 -0.81 -0.12 0.00 0.12 0.00 0.00 56.93 56.49 3ice s PHE 64 Cb 0.03 -1.29 0.10 0.00 -0.57 0.00 0.00 43.02 41.28 3ice s PHE 64 CO 0.24 0.18 0.35 -0.51 -0.10 0.00 0.00 175.22 175.38 3ice s LEU 65 N -3.50 5.57 0.65 -0.37 1.43 -0.82 -1.19 118.68 120.45 3ice s LEU 65 Ca 0.34 -1.63 -0.11 0.00 -1.03 0.00 0.00 54.13 51.70 3ice s LEU 65 Cb 0.07 -2.07 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 3ice s LEU 65 CO 0.14 -0.66 1.05 -0.13 0.23 0.00 0.00 176.35 176.99 3ice s ARG 66 N 1.48 3.38 0.21 1.70 1.81 -0.89 -3.82 118.95 122.83 3ice s ARG 66 Ca 0.04 0.67 0.08 0.00 -1.72 0.00 0.00 55.73 54.79 3ice s ARG 66 Cb -0.25 -2.06 -0.04 0.00 -0.45 0.00 0.00 34.95 32.14 3ice s ARG 66 CO 0.02 -0.71 0.01 0.45 -0.68 0.00 0.00 175.30 174.39 3ice s SER 67 N -4.23 4.73 0.25 0.23 0.15 -1.26 -1.77 113.70 111.80 3ice s SER 67 Ca 0.56 -0.47 0.10 0.00 0.70 0.00 0.00 55.95 56.84 3ice s SER 67 Cb -0.11 -0.98 0.28 0.00 -1.71 0.00 0.00 66.02 63.50 3ice s SER 67 CO 0.53 0.06 1.57 0.00 1.20 0.00 0.00 173.24 176.60 3ice h ALA 68 N 2.40 0.90 -0.12 5.45 0.00 -1.95 0.14 119.26 126.08 3ice h ALA 68 Ca -0.46 -0.60 -0.03 0.00 0.00 0.00 0.00 54.91 53.82 3ice h ALA 68 Cb 1.22 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3ice h ALA 68 CO 0.59 0.83 -0.05 0.38 0.00 0.00 0.00 179.25 181.00 3ice h ASP 69 N 0.01 0.16 -0.43 0.00 2.03 -1.98 0.20 116.42 116.41 3ice h ASP 69 Ca -0.01 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.27 3ice h ASP 69 Cb 1.18 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 39.64 3ice h ASP 69 CO 0.09 0.23 0.00 -1.20 -1.03 0.00 0.00 179.24 177.33 3ice n SER 70 N -4.38 3.65 -1.90 4.15 7.64 -1.19 -4.88 113.62 116.71 3ice n SER 70 Ca -0.01 -2.40 -0.20 0.00 1.01 0.00 0.00 58.87 57.27 3ice n SER 70 Cb 0.18 -0.52 -0.05 0.00 -1.01 0.00 0.00 64.21 62.82 3ice n SER 70 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3ice n SER 71 N 0.61 -5.55 -1.10 6.43 7.64 0.06 -1.20 113.62 120.51 3ice n SER 71 Ca 0.18 0.24 -0.13 0.00 1.01 0.00 0.00 58.87 60.18 3ice n SER 71 Cb 0.72 -4.70 -0.04 0.00 -1.01 0.00 0.00 64.21 59.18 3ice n SER 71 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3ice n TYR 72 N -3.20 -0.16 -2.06 1.43 4.01 0.48 -4.73 117.16 112.92 3ice n TYR 72 Ca -0.22 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.24 3ice n TYR 72 Cb 0.67 -2.44 0.15 0.00 -0.31 0.00 0.00 39.34 37.40 3ice n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3ice s LEU 73 N -3.09 2.74 0.18 7.72 1.43 -0.34 -4.83 118.68 122.49 3ice s LEU 73 Ca 0.00 0.25 -0.33 0.00 -1.03 0.00 0.00 54.13 53.02 3ice s LEU 73 Cb 0.00 -2.47 -0.13 0.00 0.03 0.00 0.00 46.19 43.62 3ice s LEU 73 CO 0.00 -2.36 1.62 0.00 0.23 0.00 0.00 176.35 175.84 3ice n ALA 74 N -3.46 1.84 -2.45 4.21 0.00 -1.26 -4.57 120.51 114.81 3ice n ALA 74 Ca 0.13 0.43 -0.22 0.00 0.00 0.00 0.00 53.44 53.78 3ice n ALA 74 Cb 0.60 -2.40 -0.11 0.00 0.00 0.00 0.00 19.45 17.53 3ice n ALA 74 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3ice s GLY 75 N 0.96 1.40 0.17 0.00 0.00 -1.26 -5.03 107.32 103.56 3ice s GLY 75 Ca 0.77 -1.49 0.25 0.00 0.00 0.00 0.00 44.72 44.25 3ice s GLY 75 CO 0.37 -1.54 1.78 -1.05 0.00 0.00 0.00 173.10 172.65 3ice n PRO 76 N 0.30 0.18 -0.69 2.90 -0.02 -1.26 -3.66 135.00 132.75 3ice n PRO 76 Ca -0.13 0.22 -0.00 0.00 -2.02 0.00 0.00 63.50 61.56 3ice n PRO 76 Cb 0.57 -1.74 0.23 0.00 -0.02 0.00 0.00 33.50 32.53 3ice n PRO 76 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3ice n ASP 77 N -2.07 3.21 -4.70 2.55 9.92 -1.26 -4.84 116.55 119.37 3ice n ASP 77 Ca 0.05 -3.44 -0.29 0.00 -0.53 0.00 0.00 54.79 50.58 3ice n ASP 77 Cb 0.36 -0.62 0.12 0.00 -0.64 0.00 0.00 41.12 40.34 3ice n ASP 77 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 3ice s ASP 78 N -2.16 4.09 -0.15 -2.24 -0.00 -1.24 -4.89 116.67 110.08 3ice s ASP 78 Ca 0.45 0.66 0.02 0.00 -0.00 0.00 0.00 52.55 53.68 3ice s ASP 78 Cb 0.39 -1.05 0.01 0.00 -0.00 0.00 0.00 42.92 42.27 3ice s ASP 78 CO 0.05 -2.16 -0.20 -0.63 -0.00 0.00 0.00 175.17 172.23 3ice s ILE 79 N -3.64 2.23 0.41 0.77 1.01 -1.25 -3.33 121.20 117.42 3ice s ILE 79 Ca 0.65 -0.91 -0.26 0.00 0.00 0.00 0.00 60.65 60.13 3ice s ILE 79 Cb -0.09 -1.91 -0.08 0.00 0.01 0.00 0.00 42.46 40.38 3ice s ILE 79 CO 0.50 0.54 1.28 -0.47 0.00 0.00 0.00 174.94 176.79 3ice s TYR 80 N 0.91 2.83 -0.22 3.97 5.04 -0.35 -1.94 117.35 127.58 3ice s TYR 80 Ca -0.04 1.43 -0.00 0.00 -2.44 0.00 0.00 57.07 56.02 3ice s TYR 80 Cb -0.15 -3.62 0.06 0.00 0.35 0.00 0.00 41.96 38.59 3ice s TYR 80 CO -0.03 -2.00 -0.03 0.08 -1.34 0.00 0.00 175.55 172.22 3ice s VAL 81 N -1.30 1.26 0.37 3.14 1.01 -0.09 -2.37 120.40 122.42 3ice s VAL 81 Ca 0.58 -1.00 -0.28 0.00 0.00 0.00 0.00 61.98 61.27 3ice s VAL 81 Cb -0.37 -1.57 -0.11 0.00 0.00 0.00 0.00 36.38 34.34 3ice s VAL 81 CO 0.47 -0.10 1.50 -0.94 0.00 0.00 0.00 175.10 176.03 3ice s SER 82 N 1.52 6.34 0.54 3.32 1.04 -1.26 -2.91 113.70 122.29 3ice s SER 82 Ca -0.04 3.05 0.25 0.00 0.48 0.00 0.00 55.95 59.69 3ice s SER 82 Cb -0.18 -2.67 1.43 0.00 0.10 0.00 0.00 66.02 64.71 3ice s SER 82 CO -0.07 -0.88 2.03 -0.65 0.98 0.00 0.00 173.24 174.64 3ice h PRO 83 N 3.13 0.00 -0.74 4.02 0.11 -1.96 0.11 132.00 136.67 3ice h PRO 83 Ca -0.51 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 3ice h PRO 83 Cb 1.24 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 3ice h PRO 83 CO 0.65 0.00 0.29 1.03 -0.21 0.00 0.00 178.00 179.77 3ice h SER 84 N 0.00 1.02 -0.26 -2.05 0.87 -1.91 -1.16 113.55 110.06 3ice h SER 84 Ca 0.19 -0.17 -0.13 0.00 -1.23 0.00 0.00 61.79 60.44 3ice h SER 84 Cb 0.81 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 3ice h SER 84 CO -0.00 0.91 -0.31 1.56 -0.53 0.00 0.00 176.83 178.46 3ice h GLN 85 N 1.06 0.78 0.28 2.24 4.20 -1.34 0.29 115.11 122.63 3ice h GLN 85 Ca 0.25 -0.36 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 3ice h GLN 85 Cb 0.21 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 3ice h GLN 85 CO -0.02 0.99 -0.24 0.82 -0.67 0.00 0.00 178.83 179.71 3ice h ILE 86 N 0.66 0.50 -0.08 2.54 2.04 -1.16 -1.88 117.51 120.13 3ice h ILE 86 Ca 0.07 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.95 3ice h ILE 86 Cb 0.85 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 37.43 3ice h ILE 86 CO 0.07 0.00 0.06 0.03 0.00 0.00 0.00 178.15 178.31 3ice h ARG 87 N -0.53 0.00 -0.77 2.37 3.08 -1.11 0.26 114.38 117.68 3ice h ARG 87 Ca -0.02 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 3ice h ARG 87 Cb 0.48 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 3ice h ARG 87 CO -0.02 0.00 0.29 -0.09 -1.07 0.00 0.00 179.97 179.07 3ice h ARG 88 N 0.00 1.16 0.00 0.04 2.43 -0.11 -3.22 114.38 114.67 3ice h ARG 88 Ca 0.04 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 3ice h ARG 88 Cb 0.15 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 3ice h ARG 88 CO -0.00 0.95 -0.13 1.19 -1.51 0.00 0.00 179.97 180.47 3ice n PHE 89 N -4.27 0.00 -4.01 2.20 3.72 -1.03 -4.99 117.46 109.09 3ice n PHE 89 Ca 0.07 -0.72 -0.31 0.00 -0.05 0.00 0.00 57.45 56.44 3ice n PHE 89 Cb 0.20 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 38.62 3ice n PHE 89 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3ice n ASN 90 N -1.03 -3.48 -4.74 4.37 4.13 0.84 -4.31 115.26 111.04 3ice n ASN 90 Ca 0.11 -0.89 -0.31 0.00 1.68 0.00 0.00 54.58 55.18 3ice n ASN 90 Cb 0.65 -3.43 0.11 0.00 -1.54 0.00 0.00 39.78 35.58 3ice n ASN 90 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3ice s LEU 91 N -7.19 2.98 0.15 3.41 1.43 -0.81 -5.00 118.68 113.66 3ice s LEU 91 Ca 0.56 1.94 -0.02 0.00 -1.03 0.00 0.00 54.13 55.58 3ice s LEU 91 Cb -0.29 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.36 3ice s LEU 91 CO 0.87 -2.37 0.10 -0.13 0.23 0.00 0.00 176.35 175.05 3ice s ARG 92 N -4.81 1.03 0.18 1.70 0.52 -1.26 -4.93 118.95 111.38 3ice s ARG 92 Ca 0.63 -1.47 -0.33 0.00 -0.52 0.00 0.00 55.73 54.04 3ice s ARG 92 Cb -0.19 0.26 -0.13 0.00 0.52 0.00 0.00 34.95 35.41 3ice s ARG 92 CO 0.56 -0.32 1.61 2.41 0.02 0.00 0.00 175.30 179.59 3ice n THR 93 N -0.16 0.04 0.00 0.02 -1.04 -1.26 -2.21 114.28 109.66 3ice n THR 93 Ca -0.03 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 3ice n THR 93 Cb 0.64 -1.66 0.00 0.00 -1.82 0.00 0.00 70.33 67.49 3ice n THR 93 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ice n GLY 94 N 3.51 2.06 3.74 3.41 0.00 -0.12 -4.62 105.19 113.18 3ice n GLY 94 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3ice n GLY 94 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ice s ASP 95 N -1.63 6.66 -0.13 1.61 1.01 -0.94 -4.29 116.67 118.96 3ice s ASP 95 Ca 0.00 2.65 -0.20 0.00 0.71 0.00 0.00 52.55 55.71 3ice s ASP 95 Cb 0.00 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 3ice s ASP 95 CO 0.00 -0.71 0.56 -0.89 0.21 0.00 0.00 175.17 174.34 3ice s THR 96 N 0.15 5.12 0.00 -1.27 2.01 -1.26 0.10 115.64 120.49 3ice s THR 96 Ca 0.61 1.11 0.03 0.00 0.31 0.00 0.00 61.69 63.74 3ice s THR 96 Cb -0.42 -3.89 -0.01 0.00 0.01 0.00 0.00 72.50 68.19 3ice s THR 96 CO 0.41 0.26 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.89 3ice s ILE 97 N 0.99 0.64 0.19 1.82 -1.09 -0.71 0.30 121.20 123.33 3ice s ILE 97 Ca 0.29 -0.44 0.06 0.00 -2.23 0.00 0.00 60.65 58.33 3ice s ILE 97 Cb -0.16 -0.56 -0.05 0.00 -1.58 0.00 0.00 42.46 40.12 3ice s ILE 97 CO 0.12 0.11 -0.12 -0.44 -1.23 0.00 0.00 174.94 173.38 3ice s SER 98 N -0.37 2.25 0.00 3.58 0.01 -0.88 -2.71 113.70 115.58 3ice s SER 98 Ca 0.02 -1.03 0.00 0.00 1.31 0.00 0.00 55.95 56.24 3ice s SER 98 Cb -0.04 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.11 3ice s SER 98 CO -0.00 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.01 3ice n GLY 99 N -0.32 0.84 3.75 3.44 0.00 -1.23 0.34 105.19 112.00 3ice n GLY 99 Ca -0.09 -1.12 -0.38 0.00 0.00 0.00 0.00 46.02 44.44 3ice n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ice s LYS 100 N -2.00 3.06 0.13 1.61 1.02 -1.06 -3.64 119.74 118.87 3ice s LYS 100 Ca 0.00 2.11 -0.02 0.00 0.02 0.00 0.00 55.97 58.08 3ice s LYS 100 Cb 0.00 -2.15 -0.04 0.00 -0.52 0.00 0.00 37.83 35.13 3ice s LYS 100 CO 0.00 -1.22 0.08 0.96 -0.92 0.00 0.00 175.35 174.26 3ice s ILE 101 N -1.38 0.10 0.02 2.17 -4.36 -0.72 0.15 121.20 117.19 3ice s ILE 101 Ca 0.74 -1.85 0.04 0.00 -0.26 0.00 0.00 60.65 59.32 3ice s ILE 101 Cb -0.38 -2.02 -0.02 0.00 1.25 0.00 0.00 42.46 41.29 3ice s ILE 101 CO 0.43 -0.44 -0.13 0.00 0.24 0.00 0.00 174.94 175.04 3ice s ARG 102 N -4.04 0.90 1.06 0.37 1.70 0.43 -4.52 118.95 114.86 3ice s ARG 102 Ca 0.23 -0.65 -0.12 0.00 -0.47 0.00 0.00 55.73 54.72 3ice s ARG 102 Cb 0.07 -0.89 0.23 0.00 -0.57 0.00 0.00 34.95 33.79 3ice s ARG 102 CO 0.02 0.22 1.07 -2.14 -1.08 0.00 0.00 175.30 173.39 3ice s PRO 103 N -0.90 -0.11 0.49 3.89 0.02 -1.26 -1.44 135.00 135.69 3ice s PRO 103 Ca 0.02 1.07 -0.18 0.00 0.02 0.00 0.00 61.00 61.92 3ice s PRO 103 Cb -0.07 -1.63 -0.09 0.00 0.02 0.00 0.00 34.50 32.73 3ice s PRO 103 CO 0.01 -3.25 0.98 -2.14 -0.33 0.00 0.00 177.00 172.27 3ice s PRO 104 N -4.57 4.00 0.96 5.54 0.02 -1.26 -4.73 135.00 134.97 3ice s PRO 104 Ca 0.67 1.05 -0.14 0.00 0.02 0.00 0.00 61.00 62.60 3ice s PRO 104 Cb -0.24 -2.14 0.21 0.00 0.02 0.00 0.00 34.50 32.36 3ice s PRO 104 CO 0.62 -0.23 1.31 0.15 -0.33 0.00 0.00 177.00 178.52 3ice s LYS 105 N -3.72 0.52 0.42 5.54 -0.14 -1.26 -4.91 119.74 116.20 3ice s LYS 105 Ca 0.61 -0.63 0.08 0.00 -1.36 0.00 0.00 55.97 54.67 3ice s LYS 105 Cb -0.10 -1.90 0.91 0.00 -1.68 0.00 0.00 37.83 35.06 3ice s LYS 105 CO 0.25 -2.44 2.07 1.05 -0.76 0.00 0.00 175.35 175.51 3ice h GLU 106 N -1.60 0.48 0.00 1.68 4.11 -2.03 -2.56 114.58 114.66 3ice h GLU 106 Ca -0.43 -0.03 -0.23 0.00 0.07 0.00 0.00 59.36 58.75 3ice h GLU 106 Cb 1.22 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 30.32 3ice h GLU 106 CO 0.33 0.32 -1.54 0.78 0.07 0.00 0.00 179.01 178.96 3ice h GLY 107 N 0.49 0.00 -1.00 1.06 0.00 -2.04 -3.47 103.07 98.11 3ice h GLY 107 Ca 0.13 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 47.00 3ice h GLY 107 CO -0.03 0.00 0.21 -0.54 0.00 0.00 0.00 176.54 176.18 3ice s GLU 108 N -2.77 0.73 0.00 4.80 0.41 -0.96 -5.00 118.70 115.91 3ice s GLU 108 Ca -0.04 0.69 0.00 0.00 -0.41 0.00 0.00 54.97 55.22 3ice s GLU 108 Cb 0.08 -1.76 0.00 0.00 -1.78 0.00 0.00 34.13 30.68 3ice s GLU 108 CO 0.82 -2.57 0.00 0.54 -0.49 0.00 0.00 175.26 173.56 3ice n ARG 109 N -4.09 2.51 -4.47 1.61 1.74 -1.26 -4.62 116.66 108.07 3ice n ARG 109 Ca 0.06 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.91 3ice n ARG 109 Cb 0.56 -0.88 -0.09 0.00 -1.02 0.00 0.00 32.46 31.03 3ice n ARG 109 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3ice s TYR 110 N -1.67 1.85 0.98 -1.55 2.02 -1.26 -4.95 117.35 112.76 3ice s TYR 110 Ca 0.00 -1.11 -0.12 0.00 -0.37 0.00 0.00 57.07 55.47 3ice s TYR 110 Cb 0.00 -1.21 0.18 0.00 -0.40 0.00 0.00 41.96 40.53 3ice s TYR 110 CO 0.00 -0.14 1.09 -0.06 -1.57 0.00 0.00 175.55 174.86 3ice s PHE 111 N -3.29 2.10 -0.03 2.71 2.99 -1.21 -4.05 117.98 117.19 3ice s PHE 111 Ca 0.30 1.12 0.02 0.00 0.00 0.00 0.00 56.93 58.38 3ice s PHE 111 Cb 0.06 -3.21 0.01 0.00 0.00 0.00 0.00 43.02 39.87 3ice s PHE 111 CO 0.15 -2.81 -0.09 0.00 -0.00 0.00 0.00 175.22 172.47 3ice s ALA 112 N -2.90 0.90 -0.20 5.36 0.00 -0.52 -1.21 121.76 123.19 3ice s ALA 112 Ca 0.65 -0.33 -0.29 0.00 0.00 0.00 0.00 51.96 51.99 3ice s ALA 112 Cb -0.19 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.56 3ice s ALA 112 CO 0.58 0.13 1.34 -0.48 0.00 0.00 0.00 175.76 177.33 3ice s LEU 113 N 0.29 4.08 0.08 0.00 0.05 -1.00 -0.42 118.68 121.76 3ice s LEU 113 Ca -0.05 1.59 -0.30 0.00 0.05 0.00 0.00 54.13 55.42 3ice s LEU 113 Cb -0.10 -3.54 -0.16 0.00 -2.05 0.00 0.00 46.19 40.35 3ice s LEU 113 CO 0.01 -0.92 1.65 -0.07 -0.55 0.00 0.00 176.35 176.47 3ice h LEU 114 N 10.30 -0.61 -7.52 1.48 -0.00 0.12 -3.47 115.31 115.60 3ice h LEU 114 Ca -0.28 0.04 -0.11 0.00 -0.00 0.00 0.00 57.88 57.52 3ice h LEU 114 Cb 1.11 0.18 -0.19 0.00 -0.00 0.00 0.00 40.66 41.76 3ice h LEU 114 CO 0.99 -0.39 -0.27 -0.75 -0.00 0.00 0.00 178.44 178.01 3ice s LYS 115 N -6.08 0.69 0.05 1.13 2.20 -1.05 -4.97 119.74 111.70 3ice s LYS 115 Ca -0.16 -0.25 -0.30 0.00 -0.36 0.00 0.00 55.97 54.90 3ice s LYS 115 Cb 0.05 0.30 -0.04 0.00 -1.51 0.00 0.00 37.83 36.63 3ice s LYS 115 CO 0.64 -0.20 0.96 0.08 -0.36 0.00 0.00 175.35 176.47 3ice s VAL 116 N -1.54 4.71 0.00 4.02 1.01 -1.26 -2.55 120.40 124.79 3ice s VAL 116 Ca -0.12 2.03 -0.06 0.00 0.00 0.00 0.00 61.98 63.83 3ice s VAL 116 Cb -0.04 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.01 3ice s VAL 116 CO 0.03 0.24 -0.11 -3.20 0.00 0.00 0.00 175.10 172.05 3ice n ASN 117 N 3.39 1.31 -3.68 3.32 5.15 0.15 -4.90 115.26 120.00 3ice n ASN 117 Ca 0.04 0.19 -0.27 0.00 -0.60 0.00 0.00 54.58 53.94 3ice n ASN 117 Cb 0.50 -0.45 -0.17 0.00 -0.53 0.00 0.00 39.78 39.14 3ice n ASN 117 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 3ice s GLU 118 N -2.28 0.41 -0.31 1.20 2.12 -1.03 -4.24 118.70 114.57 3ice s GLU 118 Ca -0.10 -0.30 -0.15 0.00 0.36 0.00 0.00 54.97 54.78 3ice s GLU 118 Cb 0.02 -1.98 -0.03 0.00 0.26 0.00 0.00 34.13 32.40 3ice s GLU 118 CO 0.14 -0.67 0.35 0.08 -0.54 0.00 0.00 175.26 174.62 3ice s VAL 119 N 1.97 5.18 -1.23 3.70 1.01 -0.09 -2.08 120.40 128.86 3ice s VAL 119 Ca 0.01 0.29 -0.04 0.00 0.00 0.00 0.00 61.98 62.23 3ice s VAL 119 Cb -0.17 -3.74 0.03 0.00 0.00 0.00 0.00 36.38 32.50 3ice s VAL 119 CO -0.09 0.05 0.28 0.59 0.00 0.00 0.00 175.10 175.92 3ice n ASN 120 N 5.34 -4.16 -0.45 3.32 3.02 0.15 -1.25 115.26 121.23 3ice n ASN 120 Ca -0.09 -0.11 -0.04 0.00 -0.03 0.00 0.00 54.58 54.31 3ice n ASN 120 Cb 0.50 -3.47 -0.00 0.00 -0.61 0.00 0.00 39.78 36.20 3ice n ASN 120 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3ice n PHE 121 N -3.77 -0.17 -3.82 3.10 3.72 -1.26 -5.03 117.46 110.24 3ice n PHE 121 Ca -0.09 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.22 3ice n PHE 121 Cb 0.59 -1.52 -0.07 0.00 -0.94 0.00 0.00 39.48 37.54 3ice n PHE 121 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3ice s ASP 122 N -2.83 0.04 0.11 4.37 3.68 -0.38 -5.12 116.67 116.53 3ice s ASP 122 Ca 0.00 -0.59 -0.36 0.00 2.13 0.00 0.00 52.55 53.73 3ice s ASP 122 Cb 0.00 0.37 -0.16 0.00 -1.45 0.00 0.00 42.92 41.68 3ice s ASP 122 CO 0.00 -0.77 1.35 1.17 0.13 0.00 0.00 175.17 177.06 3ice n LYS 123 N -0.11 1.29 -0.31 4.34 3.00 -1.26 -0.91 118.16 124.21 3ice n LYS 123 Ca -0.15 0.47 0.02 0.00 -0.00 0.00 0.00 58.31 58.65 3ice n LYS 123 Cb 0.63 -2.11 0.21 0.00 0.00 0.00 0.00 35.03 33.75 3ice n LYS 123 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 3ice h PRO 124 N 4.61 1.08 -0.73 1.64 0.11 -1.87 -3.11 132.00 133.73 3ice h PRO 124 Ca -0.47 -0.06 0.06 0.00 0.11 0.00 0.00 66.00 65.63 3ice h PRO 124 Cb 1.32 -0.24 -0.06 0.00 0.11 0.00 0.00 31.00 32.14 3ice h PRO 124 CO 0.78 0.71 0.43 0.93 -0.21 0.00 0.00 178.00 180.65 3ice h GLU 125 N 1.11 0.78 0.00 1.05 4.39 -1.95 -1.75 114.58 118.21 3ice h GLU 125 Ca 0.36 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 60.01 3ice h GLU 125 Cb 0.05 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.53 3ice h GLU 125 CO -0.12 0.51 -0.06 -0.91 -1.16 0.00 0.00 179.01 177.28 3ice h ASN 126 N 0.80 0.00 0.15 1.42 2.35 -1.93 -1.98 115.58 116.38 3ice h ASN 126 Ca 0.32 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 3ice h ASN 126 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 3ice h ASN 126 CO -0.17 0.06 0.00 0.00 -1.65 0.00 0.00 177.43 175.67 3ice n ALA 127 N -2.38 1.17 0.05 -0.83 0.00 -0.66 -1.82 120.51 116.03 3ice n ALA 127 Ca -0.03 0.09 -0.20 0.00 0.00 0.00 0.00 53.44 53.30 3ice n ALA 127 Cb 0.15 -1.21 -0.10 0.00 0.00 0.00 0.00 19.45 18.29 3ice n ALA 127 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 3ice h ARG 128 N 0.00 0.69 -0.01 0.00 0.11 -1.49 -3.33 114.38 110.34 3ice h ARG 128 Ca 0.00 -0.75 0.00 0.00 0.10 0.00 0.00 59.98 59.33 3ice h ARG 128 Cb 0.07 0.22 0.00 0.00 1.11 0.00 0.00 29.97 31.37 3ice h ARG 128 CO 0.00 1.33 -0.50 0.09 0.10 0.00 0.00 179.97 180.98 3ice n ASN 129 N -3.84 1.30 -4.63 0.08 3.02 -0.76 -4.97 115.26 105.45 3ice n ASN 129 Ca -0.11 -1.04 -0.34 0.00 -0.03 0.00 0.00 54.58 53.06 3ice n ASN 129 Cb 0.89 0.43 0.11 0.00 -0.61 0.00 0.00 39.78 40.60 3ice n ASN 129 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3ice n LYS 130 N -0.71 0.28 -2.68 3.52 4.76 -1.02 -4.97 118.16 117.34 3ice n LYS 130 Ca 0.09 0.16 -0.33 0.00 -2.87 0.00 0.00 58.31 55.36 3ice n LYS 130 Cb 0.39 -2.28 -0.06 0.00 -1.84 0.00 0.00 35.03 31.23 3ice n LYS 130 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 3ice s ILE 131 N -2.01 4.44 0.16 -0.18 1.10 -1.26 -5.05 121.20 118.40 3ice s ILE 131 Ca 0.72 1.40 -0.10 0.00 -0.51 0.00 0.00 60.65 62.15 3ice s ILE 131 Cb -0.31 -3.64 -0.07 0.00 0.15 0.00 0.00 42.46 38.60 3ice s ILE 131 CO 0.52 -0.44 0.49 -0.76 -2.11 0.00 0.00 174.94 172.64 3ice s LEU 132 N -3.48 4.26 0.14 8.50 1.43 -1.26 -4.88 118.68 123.40 3ice s LEU 132 Ca 0.61 0.88 -0.23 0.00 -1.03 0.00 0.00 54.13 54.36 3ice s LEU 132 Cb -0.09 -3.38 0.01 0.00 0.03 0.00 0.00 46.19 42.76 3ice s LEU 132 CO 0.19 0.04 1.63 0.15 0.23 0.00 0.00 176.35 178.59 3ice h PHE 133 N 3.09 -0.67 0.00 0.29 3.57 -1.97 -0.67 116.94 120.59 3ice h PHE 133 Ca -0.48 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.06 3ice h PHE 133 Cb 1.18 0.33 0.00 0.00 2.79 0.00 0.00 35.95 40.24 3ice h PHE 133 CO 0.63 -0.33 0.00 0.39 -2.23 0.00 0.00 178.31 176.78 3ice n GLU 134 N -5.38 0.16 -0.15 1.11 4.71 -1.26 -1.69 120.64 118.14 3ice n GLU 134 Ca -0.02 0.52 0.10 0.00 -0.01 0.00 0.00 57.16 57.75 3ice n GLU 134 Cb 0.29 -1.89 0.17 0.00 -1.01 0.00 0.00 31.44 29.00 3ice n GLU 134 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3ice n ASN 135 N -2.21 3.08 -4.80 1.62 3.02 -0.30 -4.98 115.26 110.70 3ice n ASN 135 Ca 0.00 -1.90 -0.34 0.00 -0.03 0.00 0.00 54.58 52.32 3ice n ASN 135 Cb 0.13 -0.19 -0.02 0.00 -0.61 0.00 0.00 39.78 39.08 3ice n ASN 135 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ice s LEU 136 N -1.31 3.78 -0.39 3.41 1.43 -0.68 -4.89 118.68 120.03 3ice s LEU 136 Ca 0.31 1.94 -0.17 0.00 -1.03 0.00 0.00 54.13 55.18 3ice s LEU 136 Cb 0.18 -4.56 0.01 0.00 0.03 0.00 0.00 46.19 41.85 3ice s LEU 136 CO 0.26 -0.89 0.42 0.28 0.23 0.00 0.00 176.35 176.64 3ice s THR 137 N -2.04 5.11 0.88 5.49 -1.32 -1.26 -5.03 115.64 117.47 3ice s THR 137 Ca 0.67 -0.18 -0.13 0.00 -1.21 0.00 0.00 61.69 60.84 3ice s THR 137 Cb -0.17 -3.96 0.14 0.00 -1.51 0.00 0.00 72.50 67.00 3ice s THR 137 CO 0.24 -0.30 1.24 -2.84 -2.21 0.00 0.00 174.62 170.74 3ice s PRO 138 N 2.12 1.30 0.03 7.08 0.02 -1.26 -1.66 135.00 142.63 3ice s PRO 138 Ca 0.12 -0.21 -0.02 0.00 0.02 0.00 0.00 61.00 60.92 3ice s PRO 138 Cb -0.17 -1.92 0.01 0.00 0.02 0.00 0.00 34.50 32.43 3ice s PRO 138 CO 0.13 -1.98 0.08 1.28 -0.33 0.00 0.00 177.00 176.18 3ice n LEU 139 N -3.50 0.00 -4.92 -5.54 4.77 0.24 -4.80 117.00 103.25 3ice n LEU 139 Ca 0.12 -0.21 -0.27 0.00 -0.03 0.00 0.00 56.01 55.62 3ice n LEU 139 Cb 0.60 0.32 -0.02 0.00 -2.33 0.00 0.00 43.42 41.99 3ice n LEU 139 CO 0.51 -0.07 0.21 -1.00 -1.33 0.00 0.00 177.39 175.70 3ice s HIS 140 N -7.50 3.49 -0.40 -1.77 3.76 -1.26 -3.91 115.29 107.70 3ice s HIS 140 Ca 0.02 0.55 -0.30 0.00 -0.15 0.00 0.00 55.06 55.17 3ice s HIS 140 Cb -0.00 -2.04 -0.09 0.00 1.11 0.00 0.00 32.58 31.55 3ice s HIS 140 CO 0.01 0.12 2.30 0.00 -0.85 0.00 0.00 174.74 176.33 3ice n ALA 141 N -1.32 1.15 -0.06 -1.40 0.00 -1.26 -4.83 120.51 112.78 3ice n ALA 141 Ca -0.03 -0.37 -0.20 0.00 0.00 0.00 0.00 53.44 52.85 3ice n ALA 141 Cb 0.55 -2.81 -0.13 0.00 0.00 0.00 0.00 19.45 17.06 3ice n ALA 141 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3ice h ASN 142 N 15.06 0.10 -4.16 0.00 4.21 -1.86 -3.41 115.58 125.52 3ice h ASN 142 Ca -0.28 -0.74 -0.49 0.00 1.21 0.00 0.00 56.30 56.00 3ice h ASN 142 Cb 1.28 -0.03 0.06 0.00 -1.12 0.00 0.00 38.32 38.51 3ice h ASN 142 CO 1.07 1.39 0.38 -0.44 -1.29 0.00 0.00 177.43 178.54 3ice s SER 143 N -6.73 5.88 -0.06 5.81 0.01 -1.26 -4.70 113.70 112.66 3ice s SER 143 Ca -0.24 1.88 0.04 0.00 1.31 0.00 0.00 55.95 58.95 3ice s SER 143 Cb 0.03 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.69 3ice s SER 143 CO 0.67 -1.10 -0.16 -0.60 0.41 0.00 0.00 173.24 172.45 3ice s ARG 144 N -3.80 2.55 -0.60 12.44 3.00 -1.26 -2.26 118.95 129.03 3ice s ARG 144 Ca 0.65 -0.74 -0.01 0.00 -1.00 0.00 0.00 55.73 54.64 3ice s ARG 144 Cb -0.17 -2.35 0.15 0.00 0.00 0.00 0.00 34.95 32.58 3ice s ARG 144 CO 0.32 0.55 0.39 -0.51 0.00 0.00 0.00 175.30 176.05 3ice s LEU 145 N -0.56 4.93 0.00 -0.88 1.43 0.64 -4.89 118.68 119.35 3ice s LEU 145 Ca 0.08 -2.93 -0.19 0.00 -1.03 0.00 0.00 54.13 50.06 3ice s LEU 145 Cb -0.11 -1.78 0.30 0.00 0.03 0.00 0.00 46.19 44.62 3ice s LEU 145 CO 0.01 -0.32 0.67 -1.14 0.23 0.00 0.00 176.35 175.81 3ice n ARG 146 N 3.33 -4.27 -0.19 1.70 0.63 -1.26 -4.50 116.66 112.10 3ice n ARG 146 Ca 0.07 -1.13 0.00 0.00 -0.92 0.00 0.00 57.85 55.87 3ice n ARG 146 Cb 0.36 -1.48 0.00 0.00 0.45 0.00 0.00 32.46 31.79 3ice n ARG 146 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 3ice n GLU 148 N -4.98 0.00 -3.92 -0.14 0.28 -1.26 -4.95 120.64 105.67 3ice n GLU 148 Ca 0.11 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 57.02 3ice n GLU 148 Cb 0.47 -0.19 -0.08 0.00 1.43 0.00 0.00 31.44 33.06 3ice n GLU 148 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 3ice s ARG 149 N -1.72 0.75 -0.52 3.44 0.52 -1.26 -5.01 118.95 115.15 3ice s ARG 149 Ca 0.00 -0.98 -0.01 0.00 -0.52 0.00 0.00 55.73 54.22 3ice s ARG 149 Cb 0.00 0.29 0.39 0.00 0.52 0.00 0.00 34.95 36.16 3ice s ARG 149 CO 0.00 -0.21 1.99 0.41 0.02 0.00 0.00 175.30 177.51 3ice n GLY 150 N 0.12 5.07 0.00 -3.53 0.00 -1.26 -4.14 105.19 101.44 3ice n GLY 150 Ca -0.15 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.14 3ice n GLY 150 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ice n ASN 151 N -0.53 1.00 -4.04 1.61 3.02 -1.26 -5.04 115.26 110.01 3ice n ASN 151 Ca 0.51 -1.22 -0.45 0.00 -0.03 0.00 0.00 54.58 53.39 3ice n ASN 151 Cb 0.76 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.95 3ice n ASN 151 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ice n GLY 152 N -0.11 -0.87 3.89 7.41 0.00 -1.26 -4.92 105.19 109.33 3ice n GLY 152 Ca 0.00 0.35 -0.30 0.00 0.00 0.00 0.00 46.02 46.08 3ice n GLY 152 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ice s SER 153 N -3.50 6.52 0.17 1.61 0.01 -1.26 -4.94 113.70 112.30 3ice s SER 153 Ca 0.48 0.92 0.14 0.00 1.31 0.00 0.00 55.95 58.79 3ice s SER 153 Cb -0.26 -2.23 0.68 0.00 0.21 0.00 0.00 66.02 64.43 3ice s SER 153 CO 0.96 -0.24 1.42 0.41 0.41 0.00 0.00 173.24 176.20 3ice n THR 154 N -0.89 1.34 -0.08 1.44 -1.04 -1.26 -1.16 114.28 112.63 3ice n THR 154 Ca 0.00 0.53 -0.13 0.00 -2.04 0.00 0.00 64.05 62.42 3ice n THR 154 Cb 0.54 -1.50 -0.14 0.00 -1.82 0.00 0.00 70.33 67.40 3ice n THR 154 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3ice n GLU 155 N -1.91 0.68 0.24 -2.82 4.71 -1.26 -4.18 120.64 116.09 3ice n GLU 155 Ca 0.00 0.11 0.18 0.00 -0.01 0.00 0.00 57.16 57.44 3ice n GLU 155 Cb 0.06 -1.58 0.86 0.00 -1.01 0.00 0.00 31.44 29.77 3ice n GLU 155 CO 0.00 0.00 0.00 0.22 0.09 0.00 0.00 177.13 177.44 3ice h ASP 156 N 0.01 0.00 -0.16 1.62 1.82 -1.50 -0.11 116.42 118.10 3ice h ASP 156 Ca -0.50 0.00 0.05 0.00 -0.39 0.00 0.00 57.03 56.19 3ice h ASP 156 Cb 2.10 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 42.06 3ice h ASP 156 CO 0.01 0.00 -0.17 -0.07 -1.61 0.00 0.00 179.24 177.40 3ice h LEU 157 N 0.00 -0.55 -0.30 2.28 3.38 -1.70 0.23 115.31 118.67 3ice h LEU 157 Ca 0.07 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.17 3ice h LEU 157 Cb 0.61 0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 3ice h LEU 157 CO -0.00 -0.22 0.11 0.74 0.09 0.00 0.00 178.44 179.16 3ice h THR 158 N -0.20 0.94 -0.41 0.22 2.02 -1.27 -0.73 112.91 113.47 3ice h THR 158 Ca 0.11 -0.09 0.08 0.00 0.77 0.00 0.00 66.41 67.28 3ice h THR 158 Cb 0.36 0.66 -0.07 0.00 -1.74 0.00 0.00 68.15 67.37 3ice h THR 158 CO -0.28 0.05 0.00 0.00 0.37 0.00 0.00 175.52 175.66 3ice h ALA 159 N 1.18 0.38 0.50 6.16 0.00 -1.35 -1.38 119.26 124.74 3ice h ALA 159 Ca 0.13 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3ice h ALA 159 Cb 0.09 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3ice h ALA 159 CO -0.12 -0.39 -0.24 0.00 0.00 0.00 0.00 179.25 178.50 3ice h ARG 160 N 0.11 -0.65 -1.01 0.00 3.08 -0.58 -0.56 114.38 114.77 3ice h ARG 160 Ca 0.20 0.04 0.26 0.00 0.07 0.00 0.00 59.98 60.56 3ice h ARG 160 Cb 0.29 0.15 -0.13 0.00 0.08 0.00 0.00 29.97 30.36 3ice h ARG 160 CO -0.34 -0.36 0.59 0.28 -1.07 0.00 0.00 179.97 179.08 3ice h VAL 161 N -0.84 0.49 -0.48 2.04 2.07 -1.03 0.78 116.25 119.27 3ice h VAL 161 Ca -0.07 -0.18 -0.07 0.00 0.82 0.00 0.00 66.70 67.20 3ice h VAL 161 Cb 0.58 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 3ice h VAL 161 CO 0.11 0.10 0.02 0.25 0.02 0.00 0.00 177.57 178.06 3ice h LEU 162 N 0.52 0.83 -1.07 2.57 5.85 -0.93 -0.28 115.31 122.79 3ice h LEU 162 Ca 0.66 -0.30 0.14 0.00 0.84 0.00 0.00 57.88 59.23 3ice h LEU 162 Cb 1.33 -0.22 -0.09 0.00 0.37 0.00 0.00 40.66 42.05 3ice h LEU 162 CO -0.50 0.92 0.62 0.44 -0.34 0.00 0.00 178.44 179.58 3ice h ASP 163 N 0.70 0.84 0.27 1.25 3.32 0.22 -1.09 116.42 121.93 3ice h ASP 163 Ca 0.14 0.06 -0.34 0.00 0.02 0.00 0.00 57.03 56.91 3ice h ASP 163 Cb 0.49 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 3ice h ASP 163 CO 0.02 0.41 -1.83 -0.07 -1.72 0.00 0.00 179.24 176.05 3ice h LEU 164 N 0.88 0.35 0.12 1.55 3.38 -0.91 -3.34 115.31 117.33 3ice h LEU 164 Ca 0.51 -0.68 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 3ice h LEU 164 Cb 0.64 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3ice h LEU 164 CO -0.28 1.60 -0.06 0.00 0.09 0.00 0.00 178.44 179.80 3ice h ALA 165 N 0.35 -0.16 -2.54 1.53 0.00 -0.97 -3.44 119.26 114.03 3ice h ALA 165 Ca -0.35 -0.25 -0.48 0.00 0.00 0.00 0.00 54.91 53.82 3ice h ALA 165 Cb 2.04 0.06 -0.38 0.00 0.00 0.00 0.00 17.79 19.51 3ice h ALA 165 CO 0.11 -0.27 -0.76 -1.54 0.00 0.00 0.00 179.25 176.79 3ice s SER 166 N -5.57 2.84 0.43 0.00 1.04 -0.42 -3.04 113.70 108.98 3ice s SER 166 Ca -0.14 -1.38 -0.26 0.00 0.48 0.00 0.00 55.95 54.65 3ice s SER 166 Cb 0.00 -0.10 -0.09 0.00 0.10 0.00 0.00 66.02 65.93 3ice s SER 166 CO 0.54 -0.39 1.42 -2.65 0.98 0.00 0.00 173.24 173.14 3ice n PRO 167 N 4.94 2.29 -4.82 4.02 -0.02 -1.25 -4.57 135.00 135.58 3ice n PRO 167 Ca -0.00 0.81 -0.30 0.00 -2.02 0.00 0.00 63.50 61.99 3ice n PRO 167 Cb 0.42 -2.60 -0.17 0.00 -0.02 0.00 0.00 33.50 31.13 3ice n PRO 167 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3ice s ILE 168 N -1.18 1.79 0.09 4.25 1.01 -1.26 -4.80 121.20 121.10 3ice s ILE 168 Ca 0.60 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 60.41 3ice s ILE 168 Cb -0.46 -1.58 -0.00 0.00 0.01 0.00 0.00 42.46 40.43 3ice s ILE 168 CO 0.59 0.50 0.00 0.61 0.00 0.00 0.00 174.94 176.64 3ice n GLY 169 N 3.85 4.07 3.69 6.18 0.00 -1.26 -0.26 105.19 121.46 3ice n GLY 169 Ca -0.20 -2.21 -0.42 0.00 0.00 0.00 0.00 46.02 43.19 3ice n GLY 169 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ice s ARG 170 N -2.33 4.38 0.00 1.61 0.52 -0.96 -2.81 118.95 119.36 3ice s ARG 170 Ca 0.00 1.63 0.00 0.00 -0.52 0.00 0.00 55.73 56.84 3ice s ARG 170 Cb 0.00 -3.53 0.00 0.00 0.52 0.00 0.00 34.95 31.94 3ice s ARG 170 CO 0.00 -0.39 0.00 0.41 0.02 0.00 0.00 175.30 175.35 3ice n GLY 171 N 3.28 0.72 3.66 -3.53 0.00 -1.26 -4.30 105.19 103.77 3ice n GLY 171 Ca 0.10 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 3ice n GLY 171 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ice s GLN 172 N -0.74 4.21 -1.01 1.61 2.00 -1.12 -3.65 119.66 120.96 3ice s GLN 172 Ca 0.00 2.01 -0.08 0.00 -2.00 0.00 0.00 55.36 55.29 3ice s GLN 172 Cb 0.00 -3.87 0.25 0.00 0.80 0.00 0.00 33.01 30.20 3ice s GLN 172 CO 0.00 -0.77 0.97 0.50 -0.50 0.00 0.00 175.29 175.48 3ice s ARG 173 N 3.66 3.85 0.32 1.67 3.52 -1.26 -1.30 118.95 129.41 3ice s ARG 173 Ca 0.67 -3.10 0.10 0.00 -0.13 0.00 0.00 55.73 53.26 3ice s ARG 173 Cb -0.30 -4.37 -0.05 0.00 -1.56 0.00 0.00 34.95 28.67 3ice s ARG 173 CO 0.25 -1.25 -0.03 0.20 -0.81 0.00 0.00 175.30 173.65 3ice s GLY 174 N 1.09 1.99 -0.02 8.12 0.00 -0.37 -1.42 107.32 116.70 3ice s GLY 174 Ca 0.28 -1.91 0.04 0.00 0.00 0.00 0.00 44.72 43.13 3ice s GLY 174 CO -0.09 -1.90 -0.15 1.08 0.00 0.00 0.00 173.10 172.05 3ice s LEU 175 N -3.67 1.97 -0.48 0.66 1.43 -1.26 -2.30 118.68 115.03 3ice s LEU 175 Ca 0.33 -0.28 -0.15 0.00 -1.03 0.00 0.00 54.13 52.99 3ice s LEU 175 Cb -0.02 -0.80 0.08 0.00 0.03 0.00 0.00 46.19 45.48 3ice s LEU 175 CO 0.18 0.16 0.41 -0.63 0.23 0.00 0.00 176.35 176.71 3ice s ILE 176 N -0.18 5.20 -0.14 -0.59 1.09 0.23 -0.59 121.20 126.22 3ice s ILE 176 Ca 0.02 -1.16 -0.10 0.00 -1.10 0.00 0.00 60.65 58.31 3ice s ILE 176 Cb -0.08 -4.16 -0.05 0.00 -1.06 0.00 0.00 42.46 37.12 3ice s ILE 176 CO 0.00 -0.64 0.19 -0.69 -0.10 0.00 0.00 174.94 173.71 3ice s VAL 177 N 1.63 5.39 -0.16 2.92 1.01 0.03 -0.83 120.40 130.38 3ice s VAL 177 Ca 0.04 0.33 -0.35 0.00 0.00 0.00 0.00 61.98 62.01 3ice s VAL 177 Cb -0.25 -3.50 0.14 0.00 0.00 0.00 0.00 36.38 32.77 3ice s VAL 177 CO 0.06 0.51 1.32 0.00 0.00 0.00 0.00 175.10 176.99 3ice s ALA 178 N -0.29 -2.23 1.04 5.51 0.00 -0.80 -1.26 121.76 123.73 3ice s ALA 178 Ca 0.14 1.38 -0.12 0.00 0.00 0.00 0.00 51.96 53.36 3ice s ALA 178 Cb -0.12 -0.03 0.17 0.00 0.00 0.00 0.00 23.12 23.13 3ice s ALA 178 CO 0.03 -0.77 0.90 -2.30 0.00 0.00 0.00 175.76 173.62 3ice n PRO 179 N -0.23 -1.28 -2.28 0.00 -0.02 -1.26 -2.68 135.00 127.24 3ice n PRO 179 Ca -0.02 -1.39 -0.39 0.00 -2.02 0.00 0.00 63.50 59.68 3ice n PRO 179 Cb 0.60 -1.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.05 3ice n PRO 179 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3ice s PRO 180 N -4.97 4.10 -1.05 0.52 0.02 -1.26 -3.89 135.00 128.47 3ice s PRO 180 Ca 0.52 1.87 -0.03 0.00 0.02 0.00 0.00 61.00 63.38 3ice s PRO 180 Cb -0.02 -2.73 -0.04 0.00 0.02 0.00 0.00 34.50 31.73 3ice s PRO 180 CO 0.37 -0.29 0.90 1.63 -0.33 0.00 0.00 177.00 179.28 3ice n LYS 181 N 0.18 -3.99 0.00 5.54 5.02 -1.26 -4.95 118.16 118.70 3ice n LYS 181 Ca 0.04 0.81 0.00 0.00 -2.02 0.00 0.00 58.31 57.13 3ice n LYS 181 Cb 0.46 -5.60 0.00 0.00 -0.02 0.00 0.00 35.03 29.87 3ice n LYS 181 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ice n ALA 182 N -3.49 1.55 -0.27 7.82 0.00 -1.25 -4.84 120.51 120.02 3ice n ALA 182 Ca -0.16 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 52.93 3ice n ALA 182 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 3ice n ALA 182 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ice n GLY 183 N -0.03 0.86 0.15 0.00 0.00 -1.26 -4.59 105.19 100.32 3ice n GLY 183 Ca 0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 46.02 45.92 3ice n GLY 183 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3ice h LYS 184 N 2.80 -0.38 -1.07 1.61 3.64 -1.94 0.35 116.57 121.59 3ice h LYS 184 Ca 0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3ice h LYS 184 Cb 0.00 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 3ice h LYS 184 CO 0.00 -0.25 0.00 2.41 -2.27 0.00 0.00 179.45 179.34 3ice n THR 185 N -3.06 0.00 0.00 1.00 -1.04 -1.26 -2.35 114.28 107.57 3ice n THR 185 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 3ice n THR 185 Cb 0.15 -0.26 0.00 0.00 -1.82 0.00 0.00 70.33 68.41 3ice n THR 185 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3ice n LEU 187 N 0.74 0.00 -0.18 -4.42 7.94 0.12 -2.70 117.00 118.50 3ice n LEU 187 Ca 0.00 0.00 0.05 0.00 -1.11 0.00 0.00 56.01 54.95 3ice n LEU 187 Cb 0.00 0.00 0.33 0.00 0.53 0.00 0.00 43.42 44.28 3ice n LEU 187 CO 0.00 0.00 1.22 -0.07 -1.11 0.00 0.00 177.39 177.43 3ice h LEU 188 N 0.00 0.71 -0.12 -1.96 3.38 -1.72 -0.15 115.31 115.45 3ice h LEU 188 Ca 0.00 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.01 3ice h LEU 188 Cb 0.00 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.53 3ice h LEU 188 CO 0.00 0.47 -0.28 1.56 0.09 0.00 0.00 178.44 180.29 3ice h GLN 189 N 0.81 -0.34 -0.02 1.13 4.20 -1.80 0.34 115.11 119.44 3ice h GLN 189 Ca 0.30 0.02 0.03 0.00 0.06 0.00 0.00 58.65 59.06 3ice h GLN 189 Cb 0.16 0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.98 3ice h GLN 189 CO -0.09 -0.22 -0.19 -0.91 -0.67 0.00 0.00 178.83 176.74 3ice h ASN 190 N -0.35 -0.55 -0.39 1.46 2.35 -1.62 -1.42 115.58 115.05 3ice h ASN 190 Ca 0.10 0.08 0.08 0.00 -0.55 0.00 0.00 56.30 56.01 3ice h ASN 190 Cb 0.50 0.23 -0.07 0.00 0.05 0.00 0.00 38.32 39.03 3ice h ASN 190 CO -0.32 -0.25 -0.06 0.40 -1.65 0.00 0.00 177.43 175.54 3ice h ILE 191 N -0.29 0.64 -0.75 2.81 2.04 -0.79 0.76 117.51 121.93 3ice h ILE 191 Ca 0.06 -0.01 0.11 0.00 1.00 0.00 0.00 64.86 66.02 3ice h ILE 191 Cb 0.38 0.60 -0.08 0.00 -0.74 0.00 0.00 36.82 36.98 3ice h ILE 191 CO -0.19 0.01 0.37 0.00 0.00 0.00 0.00 178.15 178.33 3ice h ALA 192 N 1.37 1.07 0.38 1.87 0.00 -0.65 -1.34 119.26 121.97 3ice h ALA 192 Ca 0.19 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 3ice h ALA 192 Cb 0.28 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3ice h ALA 192 CO -0.37 -0.08 -0.23 0.37 0.00 0.00 0.00 179.25 178.94 3ice h GLN 193 N 0.59 -0.56 0.00 0.00 4.15 0.23 -2.23 115.11 117.28 3ice h GLN 193 Ca 0.39 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.85 3ice h GLN 193 Cb 0.47 0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.29 3ice h GLN 193 CO -0.31 -0.37 0.00 0.66 -1.93 0.00 0.00 178.83 176.87 3ice h SER 194 N -0.58 0.00 0.18 -0.69 4.64 -1.08 -2.77 113.55 113.24 3ice h SER 194 Ca -0.04 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.99 3ice h SER 194 Cb 0.48 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.59 3ice h SER 194 CO 0.05 0.00 -1.21 0.40 -0.87 0.00 0.00 176.83 175.20 3ice h ILE 195 N 0.00 1.31 0.00 0.95 1.08 -0.90 -1.90 117.51 118.04 3ice h ILE 195 Ca 0.00 -2.49 0.00 0.00 -0.39 0.00 0.00 64.86 61.98 3ice h ILE 195 Cb 0.53 2.67 0.00 0.00 -3.07 0.00 0.00 36.82 36.95 3ice h ILE 195 CO 0.00 0.76 0.00 0.00 -0.69 0.00 0.00 178.15 178.22 3ice n ALA 196 N -2.66 2.25 0.31 1.87 0.00 -0.87 -0.53 120.51 120.87 3ice n ALA 196 Ca -0.13 -0.10 0.09 0.00 0.00 0.00 0.00 53.44 53.30 3ice n ALA 196 Cb 0.97 -1.43 -0.12 0.00 0.00 0.00 0.00 19.45 18.87 3ice n ALA 196 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3ice n TYR 197 N -1.45 0.00 0.00 0.00 -0.00 -1.06 -4.44 117.16 110.21 3ice n TYR 197 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.98 3ice n TYR 197 Cb 0.29 -0.25 0.00 0.00 -0.00 0.00 0.00 39.34 39.38 3ice n TYR 197 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.86 176.95 3ice n ASN 198 N -1.85 0.65 -3.02 2.98 3.02 -0.72 -4.86 115.26 111.46 3ice n ASN 198 Ca -0.01 -0.43 -0.17 0.00 -0.03 0.00 0.00 54.58 53.94 3ice n ASN 198 Cb 0.39 1.00 -0.01 0.00 -0.61 0.00 0.00 39.78 40.55 3ice n ASN 198 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3ice n HIS 199 N -1.06 -1.36 0.27 3.10 8.25 0.30 -4.92 115.22 119.80 3ice n HIS 199 Ca 0.00 -2.95 0.13 0.00 -0.26 0.00 0.00 57.72 54.63 3ice n HIS 199 Cb 0.00 0.39 0.60 0.00 1.12 0.00 0.00 29.99 32.10 3ice n HIS 199 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3ice h PRO 200 N 3.70 0.00 0.00 -0.41 0.11 -1.78 -2.44 132.00 131.18 3ice h PRO 200 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3ice h PRO 200 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3ice h PRO 200 CO 0.39 0.00 0.00 0.38 -0.21 0.00 0.00 178.00 178.56 3ice h ASP 201 N 0.00 0.00 -3.02 -2.05 2.03 -1.92 -3.44 116.42 108.03 3ice h ASP 201 Ca 0.00 0.00 -0.61 0.00 -0.73 0.00 0.00 57.03 55.69 3ice h ASP 201 Cb 0.18 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.62 3ice h ASP 201 CO 0.00 0.00 -0.21 0.00 -1.03 0.00 0.00 179.24 178.00 3ice s VAL 203 N -1.11 4.51 0.55 0.00 1.01 -0.33 -4.92 120.40 120.11 3ice s VAL 203 Ca 0.24 1.20 0.04 0.00 0.00 0.00 0.00 61.98 63.46 3ice s VAL 203 Cb -0.16 -4.39 0.05 0.00 0.00 0.00 0.00 36.38 31.87 3ice s VAL 203 CO 0.14 -0.63 0.76 -0.22 0.00 0.00 0.00 175.10 175.15 3ice s LEU 204 N 3.66 3.29 -0.30 3.92 2.96 -1.26 -0.86 118.68 130.10 3ice s LEU 204 Ca 0.40 -0.29 -0.14 0.00 -0.22 0.00 0.00 54.13 53.89 3ice s LEU 204 Cb -0.11 -2.50 0.18 0.00 0.50 0.00 0.00 46.19 44.26 3ice s LEU 204 CO 0.21 -1.20 1.08 -0.69 -1.32 0.00 0.00 176.35 174.43 3ice s VAL 206 N -2.71 -0.27 -0.33 1.68 1.01 0.58 -2.66 120.40 117.70 3ice s VAL 206 Ca 0.59 0.00 -0.10 0.00 0.00 0.00 0.00 61.98 62.47 3ice s VAL 206 Cb -0.09 -0.88 -0.00 0.00 0.00 0.00 0.00 36.38 35.41 3ice s VAL 206 CO 0.38 0.00 0.17 -0.22 0.00 0.00 0.00 175.10 175.44 3ice s LEU 207 N 2.96 4.29 -0.23 3.92 2.96 -1.22 0.22 118.68 131.58 3ice s LEU 207 Ca 0.02 -0.61 -0.07 0.00 -0.22 0.00 0.00 54.13 53.24 3ice s LEU 207 Cb -0.09 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 3ice s LEU 207 CO -0.12 -0.24 0.06 -0.76 -1.32 0.00 0.00 176.35 173.97 3ice s LEU 208 N 1.61 3.49 -0.13 -0.68 1.43 -0.47 -3.06 118.68 120.88 3ice s LEU 208 Ca 0.04 -0.15 0.02 0.00 -1.03 0.00 0.00 54.13 53.01 3ice s LEU 208 Cb -0.18 -1.92 0.02 0.00 0.03 0.00 0.00 46.19 44.14 3ice s LEU 208 CO 0.07 0.03 -0.17 -0.63 0.23 0.00 0.00 176.35 175.87 3ice s ILE 209 N 1.25 1.68 -1.61 -0.59 -1.09 -1.24 -0.61 121.20 118.99 3ice s ILE 209 Ca 0.05 -0.74 0.00 0.00 -2.23 0.00 0.00 60.65 57.72 3ice s ILE 209 Cb -0.15 -1.53 0.00 0.00 -1.58 0.00 0.00 42.46 39.21 3ice s ILE 209 CO 0.03 0.48 0.00 -0.67 -1.23 0.00 0.00 174.94 173.55 3ice n ASP 210 N 4.30 -4.83 -3.36 3.58 2.03 -0.32 -4.72 116.55 113.22 3ice n ASP 210 Ca -0.19 0.37 -0.10 0.00 0.52 0.00 0.00 54.79 55.39 3ice n ASP 210 Cb 0.51 -3.69 0.03 0.00 -0.72 0.00 0.00 41.12 37.25 3ice n ASP 210 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3ice n GLU 211 N -2.55 0.87 -2.36 -0.67 -0.58 -1.26 -4.34 120.64 109.75 3ice n GLU 211 Ca -0.15 -1.49 -0.37 0.00 -0.42 0.00 0.00 57.16 54.74 3ice n GLU 211 Cb 0.51 -0.06 -0.02 0.00 -0.57 0.00 0.00 31.44 31.30 3ice n GLU 211 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3ice s ARG 212 N -3.20 3.85 0.31 3.49 0.52 -1.26 -2.95 118.95 119.71 3ice s ARG 212 Ca 0.26 1.66 0.08 0.00 -0.52 0.00 0.00 55.73 57.21 3ice s ARG 212 Cb -0.02 -2.40 0.50 0.00 0.52 0.00 0.00 34.95 33.55 3ice s ARG 212 CO 0.16 -0.44 1.73 -1.35 0.02 0.00 0.00 175.30 175.42 3ice h PRO 213 N 2.09 0.20 -0.13 3.54 0.11 -1.98 -3.07 132.00 132.77 3ice h PRO 213 Ca -0.49 -0.09 -0.16 0.00 0.11 0.00 0.00 66.00 65.37 3ice h PRO 213 Cb 1.24 -0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.35 3ice h PRO 213 CO 0.60 0.57 -0.54 0.93 -0.21 0.00 0.00 178.00 179.35 3ice h GLU 214 N 0.17 0.60 -0.11 1.05 3.07 -2.00 -2.65 114.58 114.71 3ice h GLU 214 Ca 0.02 -0.47 0.03 0.00 -0.50 0.00 0.00 59.36 58.44 3ice h GLU 214 Cb 0.78 0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.77 3ice h GLU 214 CO 0.06 1.09 0.14 0.93 -1.40 0.00 0.00 179.01 179.83 3ice h GLU 215 N 0.25 0.00 0.35 2.33 5.08 -1.93 0.45 114.58 121.10 3ice h GLU 215 Ca -0.03 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3ice h GLU 215 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3ice h GLU 215 CO 0.11 0.00 -0.17 0.28 -1.00 0.00 0.00 179.01 178.24 3ice h VAL 216 N 0.00 0.55 -0.86 3.13 2.07 -1.41 -3.23 116.25 116.50 3ice h VAL 216 Ca 0.05 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 3ice h VAL 216 Cb 0.33 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 3ice h VAL 216 CO -0.00 0.11 0.49 0.00 0.02 0.00 0.00 177.57 178.18 3ice h THR 217 N -0.88 1.25 0.00 2.57 1.03 -1.23 0.41 112.91 116.06 3ice h THR 217 Ca -0.05 -0.60 0.00 0.00 -0.01 0.00 0.00 66.41 65.76 3ice h THR 217 Cb 0.53 0.07 0.00 0.00 -1.07 0.00 0.00 68.15 67.68 3ice h THR 217 CO 0.08 0.27 0.00 1.21 -0.01 0.00 0.00 175.52 177.07 3ice n GLU 218 N -4.38 0.00 0.00 0.00 4.07 0.06 -1.28 120.64 119.12 3ice n GLU 218 Ca 0.09 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.19 3ice n GLU 218 Cb 0.08 -1.16 0.00 0.00 -0.06 0.00 0.00 31.44 30.30 3ice n GLU 218 CO 0.00 0.00 0.00 0.94 -0.06 0.00 0.00 177.13 178.01 3ice n GLN 220 N -0.46 0.00 -0.04 5.31 7.27 0.14 -1.74 117.38 127.87 3ice n GLN 220 Ca 0.00 0.00 0.12 0.00 0.07 0.00 0.00 57.00 57.19 3ice n GLN 220 Cb 0.00 0.00 0.47 0.00 2.41 0.00 0.00 30.24 33.12 3ice n GLN 220 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3ice n ARG 221 N 0.00 1.66 0.00 3.69 1.74 -0.40 -3.90 116.66 119.45 3ice n ARG 221 Ca 0.00 -0.98 0.00 0.00 -0.77 0.00 0.00 57.85 56.10 3ice n ARG 221 Cb 0.00 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.00 3ice n ARG 221 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3ice n LEU 222 N 0.19 0.74 -4.72 0.55 4.32 -0.71 -5.05 117.00 112.32 3ice n LEU 222 Ca 0.18 -0.85 -0.23 0.00 -0.02 0.00 0.00 56.01 55.09 3ice n LEU 222 Cb 0.33 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.07 3ice n LEU 222 CO 0.15 0.19 -0.21 0.68 -1.22 0.00 0.00 177.39 176.97 3ice s VAL 223 N -0.22 3.03 -0.54 4.08 -7.23 -1.25 -4.87 120.40 113.40 3ice s VAL 223 Ca 0.00 -1.72 -0.00 0.00 -1.81 0.00 0.00 61.98 58.45 3ice s VAL 223 Cb 0.00 -2.96 0.14 0.00 0.56 0.00 0.00 36.38 34.12 3ice s VAL 223 CO 0.00 -0.19 0.32 -0.54 -0.31 0.00 0.00 175.10 174.37 3ice s LYS 224 N -3.83 2.22 0.00 4.82 1.02 -1.26 -4.97 119.74 117.74 3ice s LYS 224 Ca 0.37 -2.40 0.00 0.00 0.02 0.00 0.00 55.97 53.96 3ice s LYS 224 Cb -0.03 -3.55 0.00 0.00 -0.52 0.00 0.00 37.83 33.74 3ice s LYS 224 CO 0.22 -1.12 0.00 0.41 -0.92 0.00 0.00 175.35 173.94 3ice n GLY 225 N 3.60 0.53 3.70 -3.33 0.00 -1.26 -4.75 105.19 103.68 3ice n GLY 225 Ca 0.05 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 3ice n GLY 225 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ice s GLU 226 N -2.00 4.42 -0.28 1.61 2.02 -1.09 -4.99 118.70 118.40 3ice s GLU 226 Ca 0.00 1.57 0.03 0.00 0.02 0.00 0.00 54.97 56.59 3ice s GLU 226 Cb 0.00 -3.50 0.07 0.00 0.10 0.00 0.00 34.13 30.80 3ice s GLU 226 CO 0.00 -0.31 -0.04 0.08 0.02 0.00 0.00 175.26 175.00 3ice s VAL 227 N 1.75 1.97 -0.18 2.63 1.01 -1.26 -0.31 120.40 126.02 3ice s VAL 227 Ca 0.54 -1.71 -0.01 0.00 0.00 0.00 0.00 61.98 60.80 3ice s VAL 227 Cb -0.23 -2.23 0.00 0.00 0.00 0.00 0.00 36.38 33.92 3ice s VAL 227 CO 0.23 -0.23 -0.13 -0.69 0.00 0.00 0.00 175.10 174.29 3ice s VAL 228 N 1.15 2.74 0.05 2.92 1.01 0.13 -4.97 120.40 123.43 3ice s VAL 228 Ca -0.02 -0.72 -0.18 0.00 0.00 0.00 0.00 61.98 61.05 3ice s VAL 228 Cb -0.19 -2.19 0.04 0.00 0.00 0.00 0.00 36.38 34.04 3ice s VAL 228 CO -0.07 0.49 0.42 0.00 0.00 0.00 0.00 175.10 175.94 3ice s ALA 229 N 1.14 -1.02 -0.09 5.51 0.00 -1.26 -1.37 121.76 124.67 3ice s ALA 229 Ca 0.01 0.31 0.02 0.00 0.00 0.00 0.00 51.96 52.29 3ice s ALA 229 Cb -0.14 0.37 0.02 0.00 0.00 0.00 0.00 23.12 23.36 3ice s ALA 229 CO -0.05 -0.47 -0.12 -1.54 0.00 0.00 0.00 175.76 173.58 3ice s SER 230 N -2.04 2.06 0.88 0.00 1.04 0.22 -4.93 113.70 110.93 3ice s SER 230 Ca -0.05 -0.34 -0.13 0.00 0.48 0.00 0.00 55.95 55.92 3ice s SER 230 Cb -0.01 -0.91 0.12 0.00 0.10 0.00 0.00 66.02 65.32 3ice s SER 230 CO -0.03 -0.00 1.17 0.42 0.98 0.00 0.00 173.24 175.78 3ice s THR 231 N 0.96 1.99 0.48 2.02 -4.23 -1.26 -1.18 115.64 114.42 3ice s THR 231 Ca -0.08 0.00 0.36 0.00 -1.18 0.00 0.00 61.69 60.79 3ice s THR 231 Cb -0.15 -2.87 0.39 0.00 1.34 0.00 0.00 72.50 71.21 3ice s THR 231 CO -0.00 0.00 2.21 2.19 -0.54 0.00 0.00 174.62 178.48 3ice h PHE 232 N -1.34 0.00 -0.76 3.99 -5.15 -1.73 -1.02 116.94 110.93 3ice h PHE 232 Ca -0.48 0.00 0.04 0.00 -0.20 0.00 0.00 57.97 57.33 3ice h PHE 232 Cb 1.32 0.00 -0.04 0.00 0.22 0.00 0.00 35.95 37.45 3ice h PHE 232 CO 0.15 0.03 0.50 -0.44 -2.00 0.00 0.00 178.31 176.56 3ice h ASP 233 N 0.00 0.79 -4.08 -0.68 3.32 -1.91 -3.43 116.42 110.43 3ice h ASP 233 Ca -0.00 -0.01 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 3ice h ASP 233 Cb 0.19 -0.18 0.09 0.00 0.22 0.00 0.00 39.33 39.65 3ice h ASP 233 CO 0.00 0.53 0.46 -1.61 -1.72 0.00 0.00 179.24 176.91 3ice s GLU 234 N -5.78 3.22 0.56 3.56 0.41 -0.39 -5.02 118.70 115.26 3ice s GLU 234 Ca -0.11 1.75 -0.17 0.00 -0.41 0.00 0.00 54.97 56.04 3ice s GLU 234 Cb 0.19 -2.03 -0.05 0.00 -1.78 0.00 0.00 34.13 30.46 3ice s GLU 234 CO 0.78 -0.99 1.04 -2.14 -0.49 0.00 0.00 175.26 173.47 3ice s PRO 235 N -3.22 3.49 0.66 0.39 0.02 -1.26 -4.90 135.00 130.18 3ice s PRO 235 Ca 0.74 1.20 0.35 0.00 0.02 0.00 0.00 61.00 63.30 3ice s PRO 235 Cb -0.28 -2.06 1.89 0.00 0.02 0.00 0.00 34.50 34.07 3ice s PRO 235 CO 0.31 -0.67 2.07 0.00 -0.33 0.00 0.00 177.00 178.39 3ice h ALA 236 N 0.71 1.25 0.00 -1.55 0.00 -1.94 -1.64 119.26 116.08 3ice h ALA 236 Ca -0.47 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 3ice h ALA 236 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3ice h ALA 236 CO 0.58 -0.23 -0.00 0.66 0.00 0.00 0.00 179.25 180.26 3ice h SER 237 N 0.00 -0.00 -0.28 0.00 4.64 -1.91 -2.14 113.55 113.85 3ice h SER 237 Ca 0.01 -0.21 -0.02 0.00 -0.47 0.00 0.00 61.79 61.10 3ice h SER 237 Cb 0.45 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 3ice h SER 237 CO -0.00 0.21 0.11 -0.09 -0.87 0.00 0.00 176.83 176.19 3ice h ARG 238 N -0.21 0.42 -0.53 4.77 2.43 -1.68 -2.32 114.38 117.26 3ice h ARG 238 Ca -0.00 -0.08 0.11 0.00 -0.81 0.00 0.00 59.98 59.20 3ice h ARG 238 Cb 0.21 -0.07 -0.10 0.00 -0.42 0.00 0.00 29.97 29.59 3ice h ARG 238 CO 0.00 0.45 -0.10 0.45 -1.51 0.00 0.00 179.97 179.27 3ice h HIS 239 N 0.30 -0.21 -0.24 2.20 3.86 -1.39 0.11 115.15 119.78 3ice h HIS 239 Ca 0.09 0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.34 3ice h HIS 239 Cb 0.19 0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 3ice h HIS 239 CO -0.00 -0.20 0.11 0.28 0.86 0.00 0.00 177.93 178.97 3ice h VAL 240 N 0.03 1.16 -0.04 2.45 2.07 -1.29 -1.94 116.25 118.69 3ice h VAL 240 Ca 0.26 -0.46 0.01 0.00 0.82 0.00 0.00 66.70 67.33 3ice h VAL 240 Cb 0.40 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 3ice h VAL 240 CO -0.52 0.16 -0.04 -0.61 0.02 0.00 0.00 177.57 176.58 3ice h GLN 241 N 0.24 -0.05 0.33 1.57 5.75 -0.64 -0.41 115.11 121.91 3ice h GLN 241 Ca 0.08 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.58 3ice h GLN 241 Cb 0.15 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.69 3ice h GLN 241 CO -0.01 -0.03 -0.35 0.28 -2.65 0.00 0.00 178.83 176.07 3ice h VAL 242 N -0.05 0.28 -0.44 2.39 2.07 -0.82 -2.58 116.25 117.10 3ice h VAL 242 Ca 0.03 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.63 3ice h VAL 242 Cb 0.09 0.28 -0.07 0.00 -1.52 0.00 0.00 31.29 30.08 3ice h VAL 242 CO -0.07 0.00 0.04 0.00 0.02 0.00 0.00 177.57 177.56 3ice h ALA 243 N -0.23 0.45 0.00 1.67 0.00 -1.31 -2.58 119.26 117.26 3ice h ALA 243 Ca -0.02 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3ice h ALA 243 Cb 0.65 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3ice h ALA 243 CO -0.07 -0.36 0.00 0.39 0.00 0.00 0.00 179.25 179.21 3ice n GLU 244 N -5.16 0.00 0.00 0.00 -0.58 -0.17 -1.04 120.64 113.69 3ice n GLU 244 Ca 0.04 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 3ice n GLU 244 Cb 0.22 -0.99 0.00 0.00 -0.57 0.00 0.00 31.44 30.10 3ice n GLU 244 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3ice n VAL 246 N 0.56 0.00 -0.20 2.62 0.31 -0.97 -2.45 118.33 118.19 3ice n VAL 246 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.25 3ice n VAL 246 Cb 0.00 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 32.95 3ice n VAL 246 CO 0.00 0.00 0.00 -0.29 -1.32 0.00 0.00 176.83 175.22 3ice h ILE 247 N 0.00 1.23 -0.49 2.52 6.09 -1.37 -1.44 117.51 124.05 3ice h ILE 247 Ca 0.00 -0.76 -0.12 0.00 -1.37 0.00 0.00 64.86 62.62 3ice h ILE 247 Cb 0.00 0.65 -0.01 0.00 0.47 0.00 0.00 36.82 37.92 3ice h ILE 247 CO 0.00 0.29 -0.16 -0.33 -3.07 0.00 0.00 178.15 174.88 3ice h GLU 248 N 0.80 0.98 -0.28 2.19 4.39 -1.73 -1.20 114.58 119.71 3ice h GLU 248 Ca 0.19 -0.39 0.01 0.00 0.34 0.00 0.00 59.36 59.51 3ice h GLU 248 Cb 0.24 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 3ice h GLU 248 CO -0.01 1.06 0.17 -0.22 -1.16 0.00 0.00 179.01 178.85 3ice h LYS 249 N 0.83 0.34 -0.32 2.33 3.64 -1.71 -0.49 116.57 121.19 3ice h LYS 249 Ca 0.12 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.53 3ice h LYS 249 Cb 0.73 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.42 3ice h LYS 249 CO 0.06 0.22 0.02 0.00 -2.27 0.00 0.00 179.45 177.48 3ice h ALA 250 N 1.12 0.30 -0.70 5.00 0.00 -1.02 -1.64 119.26 122.32 3ice h ALA 250 Ca 0.11 0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.21 3ice h ALA 250 Cb -0.01 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 17.84 3ice h ALA 250 CO -0.05 -0.39 0.31 0.87 0.00 0.00 0.00 179.25 179.99 3ice h LYS 251 N 0.11 0.50 -0.55 0.00 1.57 -0.64 -1.83 116.57 115.73 3ice h LYS 251 Ca 0.15 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 3ice h LYS 251 Cb 0.20 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 3ice h LYS 251 CO -0.25 0.33 0.29 0.00 -0.57 0.00 0.00 179.45 179.25 3ice h ARG 252 N 0.51 0.77 -0.68 3.15 2.47 -0.20 -2.40 114.38 118.01 3ice h ARG 252 Ca 0.36 -0.10 -0.08 0.00 -1.26 0.00 0.00 59.98 58.90 3ice h ARG 252 Cb 0.44 -0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 28.59 3ice h ARG 252 CO -0.31 0.61 0.12 -0.07 0.56 0.00 0.00 179.97 180.87 3ice h LEU 253 N 0.74 1.07 -1.83 3.04 3.38 -0.90 -2.39 115.31 118.41 3ice h LEU 253 Ca 0.19 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.93 3ice h LEU 253 Cb 0.07 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3ice h LEU 253 CO -0.03 1.05 0.16 0.58 0.09 0.00 0.00 178.44 180.30 3ice h VAL 254 N 1.04 1.00 0.00 1.22 2.07 -1.05 0.56 116.25 121.09 3ice h VAL 254 Ca 0.21 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.62 3ice h VAL 254 Cb 0.44 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3ice h VAL 254 CO 0.01 0.04 -0.15 -0.33 0.02 0.00 0.00 177.57 177.16 3ice h GLU 255 N 0.22 0.00 -0.47 1.57 5.08 -0.93 -1.59 114.58 118.45 3ice h GLU 255 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3ice h GLU 255 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3ice h GLU 255 CO -0.02 0.15 0.00 0.72 -1.00 0.00 0.00 179.01 178.87 3ice n HIS 256 N -3.54 0.37 -2.88 4.33 8.25 0.14 -4.73 115.22 117.16 3ice n HIS 256 Ca -0.01 -0.15 -0.18 0.00 -0.26 0.00 0.00 57.72 57.12 3ice n HIS 256 Cb 0.30 -0.08 0.03 0.00 1.12 0.00 0.00 29.99 31.36 3ice n HIS 256 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3ice n LYS 257 N 0.10 -4.00 -3.54 -0.41 5.02 -0.60 -5.01 118.16 109.73 3ice n LYS 257 Ca 0.07 0.71 -0.20 0.00 -2.02 0.00 0.00 58.31 56.86 3ice n LYS 257 Cb 0.30 -5.16 -0.02 0.00 -0.02 0.00 0.00 35.03 30.12 3ice n LYS 257 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3ice s LYS 258 N -5.48 2.67 -0.41 1.97 1.02 -0.92 -3.67 119.74 114.92 3ice s LYS 258 Ca 0.25 -1.39 0.00 0.00 0.02 0.00 0.00 55.97 54.86 3ice s LYS 258 Cb -0.11 -2.50 0.11 0.00 -0.52 0.00 0.00 37.83 34.82 3ice s LYS 258 CO 0.31 -0.11 0.17 -0.51 -0.92 0.00 0.00 175.35 174.30 3ice s ASP 259 N -4.13 5.01 -0.07 2.83 1.01 -1.26 -1.18 116.67 118.88 3ice s ASP 259 Ca 0.47 -2.22 -0.10 0.00 0.71 0.00 0.00 52.55 51.41 3ice s ASP 259 Cb -0.05 -1.75 -0.05 0.00 1.01 0.00 0.00 42.92 42.08 3ice s ASP 259 CO 0.29 -0.45 0.24 -0.69 0.21 0.00 0.00 175.17 174.77 3ice s VAL 260 N 0.85 5.33 -0.17 -1.27 1.01 -0.33 -1.19 120.40 124.62 3ice s VAL 260 Ca 0.11 0.42 0.01 0.00 0.00 0.00 0.00 61.98 62.51 3ice s VAL 260 Cb -0.21 -3.52 0.03 0.00 0.00 0.00 0.00 36.38 32.68 3ice s VAL 260 CO -0.05 0.59 -0.11 -0.63 0.00 0.00 0.00 175.10 174.89 3ice s ILE 261 N -1.07 1.56 -0.19 2.22 1.09 -0.04 -1.23 121.20 123.54 3ice s ILE 261 Ca 0.19 -0.82 -0.05 0.00 -1.10 0.00 0.00 60.65 58.87 3ice s ILE 261 Cb -0.14 -1.58 -0.03 0.00 -1.06 0.00 0.00 42.46 39.66 3ice s ILE 261 CO 0.08 0.28 0.00 -0.63 -0.10 0.00 0.00 174.94 174.58 3ice s ILE 262 N 1.46 4.04 -0.58 2.92 1.01 0.59 -4.36 121.20 126.27 3ice s ILE 262 Ca 0.01 -0.29 -0.05 0.00 0.00 0.00 0.00 60.65 60.33 3ice s ILE 262 Cb -0.15 -2.82 0.15 0.00 0.01 0.00 0.00 42.46 39.65 3ice s ILE 262 CO -0.09 0.44 0.41 -0.76 0.00 0.00 0.00 174.94 174.94 3ice s LEU 263 N 0.87 5.45 -0.35 2.97 1.43 -1.26 -1.57 118.68 126.22 3ice s LEU 263 Ca 0.01 -2.56 -0.14 0.00 -1.03 0.00 0.00 54.13 50.40 3ice s LEU 263 Cb -0.14 -1.90 -0.01 0.00 0.03 0.00 0.00 46.19 44.16 3ice s LEU 263 CO 0.02 -0.46 0.31 -0.22 0.23 0.00 0.00 176.35 176.23 3ice s LEU 264 N 0.37 4.54 0.15 1.79 2.96 -0.68 -3.44 118.68 124.37 3ice s LEU 264 Ca 0.14 -0.38 -0.25 0.00 -0.22 0.00 0.00 54.13 53.42 3ice s LEU 264 Cb -0.20 -2.25 -0.08 0.00 0.50 0.00 0.00 46.19 44.16 3ice s LEU 264 CO -0.04 -0.32 0.77 -0.62 -1.32 0.00 0.00 176.35 174.83 3ice s ASP 265 N 1.73 7.37 -1.07 3.68 2.15 -1.17 -2.43 116.67 126.92 3ice s ASP 265 Ca 0.09 1.62 -0.05 0.00 0.43 0.00 0.00 52.55 54.64 3ice s ASP 265 Cb -0.17 -2.49 -0.06 0.00 -0.30 0.00 0.00 42.92 39.90 3ice s ASP 265 CO 0.11 0.20 0.93 -1.20 -0.17 0.00 0.00 175.17 175.04 3ice n SER 266 N 1.69 -5.93 0.24 -0.34 7.64 -1.17 -3.69 113.62 112.06 3ice n SER 266 Ca -0.06 -0.70 0.08 0.00 1.01 0.00 0.00 58.87 59.21 3ice n SER 266 Cb 0.49 -5.20 0.60 0.00 -1.01 0.00 0.00 64.21 59.09 3ice n SER 266 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 3ice h ILE 267 N -1.21 0.98 -0.81 0.44 2.10 -1.47 -1.54 117.51 115.99 3ice h ILE 267 Ca -0.61 -0.39 -0.01 0.00 1.08 0.00 0.00 64.86 64.93 3ice h ILE 267 Cb 1.31 1.21 -0.04 0.00 -1.09 0.00 0.00 36.82 38.22 3ice h ILE 267 CO 0.45 0.11 0.46 0.71 -1.08 0.00 0.00 178.15 178.79 3ice h THR 268 N 0.00 1.23 -0.78 2.19 1.35 -1.91 -1.31 112.91 113.68 3ice h THR 268 Ca -0.00 -0.56 -0.01 0.00 -0.55 0.00 0.00 66.41 65.28 3ice h THR 268 Cb 0.21 0.13 -0.04 0.00 -1.73 0.00 0.00 68.15 66.71 3ice h THR 268 CO 0.01 0.26 0.44 0.03 -0.25 0.00 0.00 175.52 176.01 3ice h ARG 269 N 1.13 1.08 -0.78 4.72 2.47 -1.61 -0.26 114.38 121.14 3ice h ARG 269 Ca 0.29 -0.12 0.05 0.00 -1.26 0.00 0.00 59.98 58.94 3ice h ARG 269 Cb 0.01 -0.22 -0.06 0.00 -1.65 0.00 0.00 29.97 28.05 3ice h ARG 269 CO -0.05 0.79 0.47 1.25 0.56 0.00 0.00 179.97 182.99 3ice h LEU 270 N 1.08 0.74 -0.94 3.04 5.85 -1.13 0.40 115.31 124.35 3ice h LEU 270 Ca 0.28 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.95 3ice h LEU 270 Cb 0.01 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 3ice h LEU 270 CO -0.05 0.49 0.04 0.00 -0.34 0.00 0.00 178.44 178.58 3ice h ALA 271 N 1.37 1.13 -0.42 1.25 0.00 -0.37 -0.80 119.26 121.41 3ice h ALA 271 Ca 0.34 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3ice h ALA 271 Cb 0.14 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3ice h ALA 271 CO -0.16 0.57 -0.18 0.00 0.00 0.00 0.00 179.25 179.48 3ice h ARG 272 N 0.77 0.81 -0.30 0.00 3.08 -0.42 -1.01 114.38 117.31 3ice h ARG 272 Ca 0.16 -0.31 -0.03 0.00 0.07 0.00 0.00 59.98 59.87 3ice h ARG 272 Cb 0.40 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 3ice h ARG 272 CO 0.01 0.93 0.07 0.00 -1.07 0.00 0.00 179.97 179.91 3ice h ALA 273 N 1.08 0.39 0.00 0.04 0.00 -0.28 -0.03 119.26 120.46 3ice h ALA 273 Ca 0.11 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3ice h ALA 273 Cb 0.69 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 3ice h ALA 273 CO 0.05 0.05 -0.07 1.88 0.00 0.00 0.00 179.25 181.17 3ice h TYR 274 N 0.32 0.00 -0.21 0.00 0.05 -1.11 -2.58 116.97 113.44 3ice h TYR 274 Ca 0.09 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.74 3ice h TYR 274 Cb 0.29 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.02 3ice h TYR 274 CO 0.01 0.07 -0.44 -0.97 -1.05 0.00 0.00 178.16 175.78 3ice h ASN 275 N 0.00 0.57 1.20 3.88 -0.00 0.37 -2.73 115.58 118.86 3ice h ASN 275 Ca -0.00 -0.26 -0.16 0.00 -0.00 0.00 0.00 56.30 55.87 3ice h ASN 275 Cb 0.14 -0.16 -0.02 0.00 -0.00 0.00 0.00 38.32 38.28 3ice h ASN 275 CO 0.01 0.93 -0.81 0.71 -0.00 0.00 0.00 177.43 178.27 3ice h THR 276 N 0.43 1.29 -0.12 -3.57 1.35 -1.09 -3.34 112.91 107.85 3ice h THR 276 Ca 0.03 -2.84 -0.17 0.00 -0.55 0.00 0.00 66.41 62.88 3ice h THR 276 Cb 0.94 2.63 -0.01 0.00 -1.73 0.00 0.00 68.15 69.99 3ice h THR 276 CO 0.08 0.73 -0.64 0.58 -0.25 0.00 0.00 175.52 176.02 3ice h VAL 277 N 0.00 1.35 -2.06 6.82 2.07 -1.20 -3.45 116.25 119.78 3ice h VAL 277 Ca -0.02 -1.97 -0.59 0.00 0.82 0.00 0.00 66.70 64.94 3ice h VAL 277 Cb 1.60 1.95 0.01 0.00 -1.52 0.00 0.00 31.29 33.34 3ice h VAL 277 CO 0.10 0.60 1.20 1.33 0.02 0.00 0.00 177.57 180.81 3ice n VAL 278 N -3.90 0.59 -3.20 2.57 0.24 -1.05 -4.99 118.33 108.60 3ice n VAL 278 Ca -0.04 -0.16 -0.24 0.00 -2.04 0.00 0.00 64.34 61.86 3ice n VAL 278 Cb 0.65 -2.06 -0.01 0.00 -1.47 0.00 0.00 33.84 30.96 3ice n VAL 278 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3ice s PRO 279 N 4.55 3.41 -1.85 7.34 0.05 -1.26 -4.36 135.00 142.88 3ice s PRO 279 Ca 0.94 -0.29 0.00 0.00 0.05 0.00 0.00 61.00 61.70 3ice s PRO 279 Cb -0.60 -2.60 0.00 0.00 0.05 0.00 0.00 34.50 31.35 3ice s PRO 279 CO 0.47 0.02 0.00 0.00 0.05 0.00 0.00 177.00 177.54 3ice n ALA 280 N -1.91 -0.27 -1.68 8.56 0.00 -1.26 -4.88 120.51 119.08 3ice n ALA 280 Ca -0.03 0.28 -0.47 0.00 0.00 0.00 0.00 53.44 53.23 3ice n ALA 280 Cb 0.56 -1.81 -0.04 0.00 0.00 0.00 0.00 19.45 18.16 3ice n ALA 280 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3ice n SER 281 N -1.05 3.54 0.00 0.00 3.41 -1.26 -4.92 113.62 113.33 3ice n SER 281 Ca -0.17 0.98 0.00 0.00 -0.26 0.00 0.00 58.87 59.42 3ice n SER 281 Cb 0.59 -1.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.13 3ice n SER 281 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ice n GLY 282 N 4.24 -0.19 3.76 5.00 0.00 -1.26 -4.96 105.19 111.77 3ice n GLY 282 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 3ice n GLY 282 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ice s LYS 283 N 0.00 4.26 -0.17 1.61 1.02 -1.26 -4.98 119.74 120.21 3ice s LYS 283 Ca 0.00 2.35 0.01 0.00 0.02 0.00 0.00 55.97 58.34 3ice s LYS 283 Cb 0.00 -3.06 0.02 0.00 -0.52 0.00 0.00 37.83 34.28 3ice s LYS 283 CO 0.00 -0.36 -0.17 0.08 -0.92 0.00 0.00 175.35 173.98 3ice s VAL 284 N -0.74 1.85 0.64 3.17 1.01 -1.26 -4.07 120.40 121.01 3ice s VAL 284 Ca 0.54 -0.86 -0.18 0.00 0.00 0.00 0.00 61.98 61.47 3ice s VAL 284 Cb -0.42 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 3ice s VAL 284 CO 0.52 0.45 1.18 0.18 0.00 0.00 0.00 175.10 177.43 3ice n LEU 285 N 4.67 5.25 -4.77 3.92 4.77 0.19 -4.91 117.00 126.13 3ice n LEU 285 Ca -0.19 0.81 -0.34 0.00 -0.03 0.00 0.00 56.01 56.26 3ice n LEU 285 Cb 0.49 -1.50 0.03 0.00 -2.33 0.00 0.00 43.42 40.12 3ice n LEU 285 CO 0.24 -1.31 0.78 -0.89 -1.33 0.00 0.00 177.39 174.87 3ice s THR 286 N -1.45 3.05 0.00 -5.08 2.01 -1.26 -2.65 115.64 110.25 3ice s THR 286 Ca 0.81 0.57 0.00 0.00 0.31 0.00 0.00 61.69 63.38 3ice s THR 286 Cb -0.39 -3.15 0.00 0.00 0.01 0.00 0.00 72.50 68.98 3ice s THR 286 CO 0.42 -0.22 0.00 0.61 -0.69 0.00 0.00 174.62 174.75 3ice n GLY 287 N -0.04 0.74 1.95 4.40 0.00 -1.26 -4.22 105.19 106.76 3ice n GLY 287 Ca 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.13 3ice n GLY 287 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ice n GLY 288 N -2.15 0.43 3.58 -0.02 0.00 -1.21 -4.42 105.19 101.41 3ice n GLY 288 Ca 0.00 -0.85 -0.24 0.00 0.00 0.00 0.00 46.02 44.94 3ice n GLY 288 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ice s VAL 289 N -2.14 3.01 -0.10 1.61 1.01 -1.09 -5.01 120.40 117.69 3ice s VAL 289 Ca 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 61.98 59.89 3ice s VAL 289 Cb -0.00 -2.65 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 3ice s VAL 289 CO 0.00 -0.36 -0.11 -0.62 0.00 0.00 0.00 175.10 174.02 3ice s ASP 290 N -3.62 4.26 0.14 3.32 2.15 -1.26 0.55 116.67 122.21 3ice s ASP 290 Ca 0.31 -0.21 -0.26 0.00 0.43 0.00 0.00 52.55 52.82 3ice s ASP 290 Cb -0.05 -1.38 -0.01 0.00 -0.30 0.00 0.00 42.92 41.17 3ice s ASP 290 CO 0.18 0.24 1.60 0.00 -0.17 0.00 0.00 175.17 177.03 3ice h ALA 291 N 6.13 -0.39 0.00 3.66 0.00 -1.92 -0.96 119.26 125.78 3ice h ALA 291 Ca -0.35 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 3ice h ALA 291 Cb 1.19 0.67 -0.00 0.00 0.00 0.00 0.00 17.79 19.65 3ice h ALA 291 CO 0.55 -0.81 -0.02 -0.91 0.00 0.00 0.00 179.25 178.06 3ice h ASN 292 N -0.39 0.00 -0.33 0.00 4.21 -1.96 -2.96 115.58 114.15 3ice h ASN 292 Ca 0.11 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.54 3ice h ASN 292 Cb 0.56 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.75 3ice h ASN 292 CO -0.40 0.02 -0.09 0.00 -1.29 0.00 0.00 177.43 175.67 3ice h ALA 293 N 1.98 0.46 0.00 -0.83 0.00 -1.49 -3.14 119.26 116.24 3ice h ALA 293 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3ice h ALA 293 Cb 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3ice h ALA 293 CO 0.00 0.31 0.00 -0.07 0.00 0.00 0.00 179.25 179.49 3ice h LEU 294 N 0.43 0.00 -0.70 0.00 3.38 -1.49 -3.10 115.31 113.83 3ice h LEU 294 Ca 0.08 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.07 3ice h LEU 294 Cb 0.59 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 3ice h LEU 294 CO 0.03 0.00 0.45 -0.74 0.09 0.00 0.00 178.44 178.27 3ice h HIS 295 N 0.00 0.85 0.26 1.13 2.76 -1.67 -2.39 115.15 116.08 3ice h HIS 295 Ca 0.00 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 3ice h HIS 295 Cb 0.40 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.08 3ice h HIS 295 CO 0.00 0.51 -0.12 0.00 -1.30 0.00 0.00 177.93 177.02 3ice h ARG 296 N 0.90 -0.33 0.00 5.26 2.47 -1.73 -1.58 114.38 119.37 3ice h ARG 296 Ca 0.27 0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 59.01 3ice h ARG 296 Cb -0.05 0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 28.35 3ice h ARG 296 CO -0.08 -0.06 -0.00 -1.35 0.56 0.00 0.00 179.97 179.03 3ice h PRO 297 N -0.58 0.00 -0.07 0.04 0.11 -1.72 -0.73 132.00 129.06 3ice h PRO 297 Ca -0.04 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.83 3ice h PRO 297 Cb 0.42 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.55 3ice h PRO 297 CO 0.06 0.00 -0.93 -0.22 -0.21 0.00 0.00 178.00 176.70 3ice h LYS 298 N 0.00 0.75 -0.04 1.05 3.64 -0.88 -2.17 116.57 118.92 3ice h LYS 298 Ca -0.00 -0.71 -0.13 0.00 -1.27 0.00 0.00 60.65 58.54 3ice h LYS 298 Cb 0.08 0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 3ice h LYS 298 CO 0.00 1.30 -0.55 0.00 -2.27 0.00 0.00 179.45 177.93 3ice h ARG 299 N 0.46 0.12 -0.01 1.90 2.47 -0.21 0.20 114.38 119.32 3ice h ARG 299 Ca -0.10 -0.08 -0.00 0.00 -1.26 0.00 0.00 59.98 58.54 3ice h ARG 299 Cb 1.58 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 29.90 3ice h ARG 299 CO 0.19 0.64 -0.00 0.35 0.56 0.00 0.00 179.97 181.70 3ice h PHE 300 N 0.10 0.03 -0.27 3.04 3.57 -1.26 -2.87 116.94 119.27 3ice h PHE 300 Ca -0.00 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.38 3ice h PHE 300 Cb 1.00 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.73 3ice h PHE 300 CO 0.01 0.41 -0.28 0.35 -2.23 0.00 0.00 178.31 176.57 3ice h PHE 301 N -0.36 0.80 0.00 0.41 3.57 -1.28 -3.02 116.94 117.06 3ice h PHE 301 Ca 0.00 -0.24 0.00 0.00 3.53 0.00 0.00 57.97 61.26 3ice h PHE 301 Cb 0.40 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.98 3ice h PHE 301 CO 0.06 0.98 0.00 0.41 -2.23 0.00 0.00 178.31 177.53 3ice n GLY 302 N 0.18 -0.64 0.17 2.40 0.00 0.70 -3.09 105.19 104.91 3ice n GLY 302 Ca -0.04 -0.11 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 3ice n GLY 302 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ice h ALA 303 N 3.15 0.63 -2.55 4.61 0.00 -1.37 -3.45 119.26 120.29 3ice h ALA 303 Ca 0.00 -0.60 -0.57 0.00 0.00 0.00 0.00 54.91 53.74 3ice h ALA 303 Cb 0.00 -0.07 0.11 0.00 0.00 0.00 0.00 17.79 17.84 3ice h ALA 303 CO 0.00 0.76 0.49 0.00 0.00 0.00 0.00 179.25 180.50 3ice n ALA 304 N -2.50 1.25 -3.67 0.00 0.00 -1.18 -4.89 120.51 109.52 3ice n ALA 304 Ca -0.04 0.35 0.03 0.00 0.00 0.00 0.00 53.44 53.77 3ice n ALA 304 Cb 0.69 -2.25 -0.00 0.00 0.00 0.00 0.00 19.45 17.90 3ice n ALA 304 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3ice s ARG 305 N -1.92 0.27 -0.15 0.00 1.70 0.15 -4.83 118.95 114.17 3ice s ARG 305 Ca 0.56 -0.15 -0.02 0.00 -0.47 0.00 0.00 55.73 55.65 3ice s ARG 305 Cb -0.56 0.09 -0.02 0.00 -0.57 0.00 0.00 34.95 33.89 3ice s ARG 305 CO 0.62 -0.12 -0.09 1.21 -1.08 0.00 0.00 175.30 175.84 3ice s ASN 306 N -3.15 4.32 -0.04 -2.89 3.84 -1.25 -1.62 114.94 114.15 3ice s ASN 306 Ca 0.17 -0.27 -0.04 0.00 0.21 0.00 0.00 52.86 52.94 3ice s ASN 306 Cb 0.05 -1.69 -0.04 0.00 -0.55 0.00 0.00 41.25 39.02 3ice s ASN 306 CO -0.04 0.14 0.16 -0.69 -2.79 0.00 0.00 177.10 173.88 3ice s VAL 307 N 0.50 5.38 0.11 -5.21 1.01 -1.21 -0.59 120.40 120.38 3ice s VAL 307 Ca -0.06 -0.08 -0.10 0.00 0.00 0.00 0.00 61.98 61.74 3ice s VAL 307 Cb -0.15 -3.46 -0.19 0.00 0.00 0.00 0.00 36.38 32.58 3ice s VAL 307 CO 0.04 0.41 1.27 -0.33 0.00 0.00 0.00 175.10 176.49 3ice h GLU 308 N 4.18 0.61 0.00 2.72 5.08 -1.63 -3.19 114.58 122.35 3ice h GLU 308 Ca -0.51 -0.61 -0.01 0.00 -1.00 0.00 0.00 59.36 57.24 3ice h GLU 308 Cb 1.20 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.61 3ice h GLU 308 CO 0.65 1.22 -0.02 0.93 -1.00 0.00 0.00 179.01 180.79 3ice h GLU 309 N 0.37 0.00 0.00 2.33 3.07 -1.95 -3.48 114.58 114.92 3ice h GLU 309 Ca -0.09 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.77 3ice h GLU 309 Cb 1.57 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.48 3ice h GLU 309 CO 0.18 0.02 0.00 0.41 -1.40 0.00 0.00 179.01 178.22 3ice n GLY 310 N -0.95 3.63 2.32 -3.84 0.00 -1.21 -4.97 105.19 100.17 3ice n GLY 310 Ca -0.02 -1.75 0.01 0.00 0.00 0.00 0.00 46.02 44.26 3ice n GLY 310 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ice n GLY 311 N -1.26 -2.17 3.62 -0.02 0.00 -1.24 -4.47 105.19 99.65 3ice n GLY 311 Ca 0.00 -1.47 -0.03 0.00 0.00 0.00 0.00 46.02 44.52 3ice n GLY 311 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ice s SER 312 N -2.92 -0.06 -0.14 1.61 1.04 -0.33 -3.30 113.70 109.60 3ice s SER 312 Ca 0.00 -0.00 0.01 0.00 0.48 0.00 0.00 55.95 56.43 3ice s SER 312 Cb 0.00 0.06 0.02 0.00 0.10 0.00 0.00 66.02 66.20 3ice s SER 312 CO 0.00 -0.10 -0.14 -0.22 0.98 0.00 0.00 173.24 173.76 3ice s LEU 313 N -2.10 1.67 -0.13 2.42 2.96 -0.64 -1.19 118.68 121.67 3ice s LEU 313 Ca 0.11 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.56 3ice s LEU 313 Cb -0.01 -1.15 -0.01 0.00 0.50 0.00 0.00 46.19 45.52 3ice s LEU 313 CO -0.03 -0.05 -0.15 -0.89 -1.32 0.00 0.00 176.35 173.91 3ice s THR 314 N 1.41 2.85 -0.16 3.68 2.01 -0.37 -0.67 115.64 124.39 3ice s THR 314 Ca 0.03 -0.73 0.00 0.00 0.31 0.00 0.00 61.69 61.30 3ice s THR 314 Cb -0.13 -2.19 0.03 0.00 0.01 0.00 0.00 72.50 70.22 3ice s THR 314 CO -0.09 0.53 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.62 3ice s ILE 315 N 0.41 1.49 -0.26 1.82 1.01 -0.42 -0.30 121.20 124.94 3ice s ILE 315 Ca -0.12 -0.71 -0.03 0.00 0.00 0.00 0.00 60.65 59.80 3ice s ILE 315 Cb -0.16 -1.48 0.02 0.00 0.01 0.00 0.00 42.46 40.85 3ice s ILE 315 CO 0.06 0.33 -0.03 -0.63 0.00 0.00 0.00 174.94 174.66 3ice s ILE 316 N 1.50 3.09 0.17 2.92 -1.09 -0.61 -1.24 121.20 125.94 3ice s ILE 316 Ca 0.03 -0.99 0.07 0.00 -2.23 0.00 0.00 60.65 57.53 3ice s ILE 316 Cb -0.14 -2.59 -0.04 0.00 -1.58 0.00 0.00 42.46 38.11 3ice s ILE 316 CO -0.09 0.15 -0.15 0.00 -1.23 0.00 0.00 174.94 173.62 3ice s ALA 317 N 1.35 1.86 -0.14 9.38 0.00 -0.97 -1.69 121.76 131.55 3ice s ALA 317 Ca 0.00 -1.51 -0.06 0.00 0.00 0.00 0.00 51.96 50.39 3ice s ALA 317 Cb -0.17 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 3ice s ALA 317 CO -0.03 0.12 0.06 0.95 0.00 0.00 0.00 175.76 176.86 3ice s THR 318 N -2.50 4.75 0.17 0.00 -4.23 -1.02 0.76 115.64 113.57 3ice s THR 318 Ca 0.17 -0.06 0.10 0.00 -1.18 0.00 0.00 61.69 60.71 3ice s THR 318 Cb -0.03 -3.08 -0.04 0.00 1.34 0.00 0.00 72.50 70.68 3ice s THR 318 CO 0.06 0.54 -0.15 0.00 -0.54 0.00 0.00 174.62 174.52 3ice s ALA 319 N -0.28 2.79 -0.10 3.99 0.00 -0.01 -1.58 121.76 126.56 3ice s ALA 319 Ca 0.08 -1.49 -0.02 0.00 0.00 0.00 0.00 51.96 50.53 3ice s ALA 319 Cb -0.12 -0.62 -0.03 0.00 0.00 0.00 0.00 23.12 22.35 3ice s ALA 319 CO 0.02 0.48 0.00 -0.51 0.00 0.00 0.00 175.76 175.75 3ice s LEU 320 N -2.65 3.56 0.27 0.00 1.02 -1.26 -1.90 118.68 117.72 3ice s LEU 320 Ca 0.22 0.11 0.02 0.00 0.02 0.00 0.00 54.13 54.51 3ice s LEU 320 Cb -0.09 -1.82 -0.04 0.00 0.02 0.00 0.00 46.19 44.26 3ice s LEU 320 CO 0.13 0.35 0.13 0.27 0.02 0.00 0.00 176.35 177.25 3ice s ILE 321 N -0.69 0.35 -1.62 -0.59 -4.36 -1.09 -4.58 121.20 108.62 3ice s ILE 321 Ca 0.11 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.39 3ice s ILE 321 Cb -0.12 -2.56 0.10 0.00 1.25 0.00 0.00 42.46 41.14 3ice s ILE 321 CO 0.02 0.00 0.53 -0.67 0.24 0.00 0.00 174.94 175.06 3ice n ASP 322 N -0.66 -1.57 -0.37 4.36 2.03 -1.26 -4.39 116.55 114.69 3ice n ASP 322 Ca 0.01 -1.09 0.11 0.00 0.52 0.00 0.00 54.79 54.34 3ice n ASP 322 Cb 0.66 -2.49 -0.02 0.00 -0.72 0.00 0.00 41.12 38.55 3ice n ASP 322 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 3ice n THR 323 N -4.38 0.00 -0.45 5.18 -2.24 -1.26 -4.96 114.28 106.17 3ice n THR 323 Ca -0.09 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 3ice n THR 323 Cb 0.57 1.17 0.00 0.00 -2.10 0.00 0.00 70.33 69.97 3ice n THR 323 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ice n GLY 324 N 1.44 0.73 3.12 3.38 0.00 -1.26 -5.04 105.19 107.57 3ice n GLY 324 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 3ice n GLY 324 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ice s SER 325 N -2.90 3.19 0.00 1.61 0.15 -1.26 -5.10 113.70 109.39 3ice s SER 325 Ca 0.00 -0.66 0.00 0.00 0.70 0.00 0.00 55.95 55.99 3ice s SER 325 Cb 0.00 -1.49 0.00 0.00 -1.71 0.00 0.00 66.02 62.82 3ice s SER 325 CO 0.00 -0.00 0.06 0.29 1.20 0.00 0.00 173.24 174.79 3ice n LYS 326 N 4.62 0.00 0.00 5.44 5.02 -1.26 -2.91 118.16 129.07 3ice n LYS 326 Ca -0.21 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.08 3ice n LYS 326 Cb 0.50 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 34.21 3ice n LYS 326 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3ice n ASP 328 N 1.95 0.00 -0.12 4.39 8.00 -1.26 -0.28 116.55 129.22 3ice n ASP 328 Ca 0.00 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.38 3ice n ASP 328 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 3ice n ASP 328 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3ice h GLU 329 N 0.00 0.78 -0.73 -1.24 4.39 -1.78 -1.35 114.58 114.65 3ice h GLU 329 Ca 0.00 -0.34 -0.06 0.00 0.34 0.00 0.00 59.36 59.30 3ice h GLU 329 Cb 0.00 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.60 3ice h GLU 329 CO 0.00 0.96 0.24 0.28 -1.16 0.00 0.00 179.01 179.33 3ice h VAL 330 N 0.57 1.26 -0.28 3.13 2.07 -0.94 0.25 116.25 122.31 3ice h VAL 330 Ca 0.08 -0.88 -0.08 0.00 0.82 0.00 0.00 66.70 66.64 3ice h VAL 330 Cb 0.73 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 3ice h VAL 330 CO 0.06 0.35 -0.14 0.40 0.02 0.00 0.00 177.57 178.25 3ice h ILE 331 N 1.08 1.30 -0.53 4.57 2.04 -1.79 0.29 117.51 124.48 3ice h ILE 331 Ca 0.24 -1.24 0.06 0.00 1.00 0.00 0.00 64.86 64.91 3ice h ILE 331 Cb 0.29 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.85 3ice h ILE 331 CO -0.01 0.39 0.35 0.22 0.00 0.00 0.00 178.15 179.10 3ice h TYR 332 N 0.32 0.50 -0.13 1.37 3.20 -0.98 -0.91 116.97 120.35 3ice h TYR 332 Ca 0.06 0.01 -0.19 0.00 3.14 0.00 0.00 58.73 61.75 3ice h TYR 332 Cb 0.66 -0.16 0.01 0.00 1.54 0.00 0.00 36.73 38.78 3ice h TYR 332 CO 0.06 0.27 -0.66 1.49 -1.64 0.00 0.00 178.16 177.68 3ice h GLU 333 N 0.50 0.67 -0.24 1.82 4.57 0.05 -1.93 114.58 120.02 3ice h GLU 333 Ca 0.23 -0.55 -0.14 0.00 -1.18 0.00 0.00 59.36 57.71 3ice h GLU 333 Cb 0.26 0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 3ice h GLU 333 CO -0.06 1.17 -0.44 1.49 -1.18 0.00 0.00 179.01 179.99 3ice h GLU 334 N 0.35 0.59 0.00 1.92 4.57 0.17 -2.87 114.58 119.31 3ice h GLU 334 Ca -0.05 -0.32 -0.10 0.00 -1.18 0.00 0.00 59.36 57.72 3ice h GLU 334 Cb 1.30 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.89 3ice h GLU 334 CO 0.14 0.91 -0.51 0.74 -1.18 0.00 0.00 179.01 179.11 3ice h PHE 335 N 0.48 0.00 -0.13 0.92 0.05 -1.23 -3.24 116.94 113.79 3ice h PHE 335 Ca 0.03 0.00 -0.05 0.00 3.82 0.00 0.00 57.97 61.77 3ice h PHE 335 Cb 0.95 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.89 3ice h PHE 335 CO 0.04 0.46 -0.15 -0.22 -0.18 0.00 0.00 178.31 178.26 3ice h LYS 336 N 0.00 0.21 -1.02 1.51 3.64 -1.12 -2.75 116.57 117.04 3ice h LYS 336 Ca -0.01 -0.05 -0.47 0.00 -1.27 0.00 0.00 60.65 58.85 3ice h LYS 336 Cb 1.36 -0.03 -0.26 0.00 -0.41 0.00 0.00 32.23 32.89 3ice h LYS 336 CO 0.06 0.37 0.59 0.41 -2.27 0.00 0.00 179.45 178.61 3ice n GLY 337 N -0.85 4.34 0.00 5.01 0.00 -1.19 -4.04 105.19 108.45 3ice n GLY 337 Ca -0.01 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.91 3ice n GLY 337 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ice n THR 338 N -0.85 0.00 -3.99 2.61 -1.04 -1.05 -5.09 114.28 104.86 3ice n THR 338 Ca 0.52 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 62.24 3ice n THR 338 Cb 1.37 0.34 -0.05 0.00 -1.82 0.00 0.00 70.33 70.17 3ice n THR 338 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3ice s GLY 339 N 0.00 1.93 -0.72 3.41 0.00 -1.11 -4.93 107.32 105.90 3ice s GLY 339 Ca 0.00 -1.01 -0.01 0.00 0.00 0.00 0.00 44.72 43.70 3ice s GLY 339 CO 0.00 -1.00 1.94 1.16 0.00 0.00 0.00 173.10 175.20 3ice n ASN 340 N -0.01 7.32 -3.35 1.64 0.23 -0.51 -4.99 115.26 115.59 3ice n ASN 340 Ca -0.07 -3.81 0.03 0.00 -0.53 0.00 0.00 54.58 50.20 3ice n ASN 340 Cb 0.53 -0.96 -0.05 0.00 -2.08 0.00 0.00 39.78 37.22 3ice n ASN 340 CO 0.00 0.00 0.00 -1.83 -0.93 0.00 0.00 177.26 174.50 3ice s GLU 342 N -3.92 0.05 -0.31 -3.83 -1.05 -1.20 -1.17 118.70 107.27 3ice s GLU 342 Ca 0.57 0.10 -0.03 0.00 -0.15 0.00 0.00 54.97 55.47 3ice s GLU 342 Cb 0.47 0.05 0.05 0.00 -0.44 0.00 0.00 34.13 34.25 3ice s GLU 342 CO -0.21 -0.01 0.02 -1.17 0.95 0.00 0.00 175.26 174.84 3ice s LEU 343 N 1.70 4.01 0.38 1.83 2.96 0.25 -3.30 118.68 126.51 3ice s LEU 343 Ca -0.03 -1.26 -0.10 0.00 -0.22 0.00 0.00 54.13 52.53 3ice s LEU 343 Cb -0.01 -1.74 -0.06 0.00 0.50 0.00 0.00 46.19 44.87 3ice s LEU 343 CO -0.14 -0.28 0.73 -1.00 -1.32 0.00 0.00 176.35 174.34 3ice s HIS 344 N 1.28 3.47 0.43 5.38 3.76 -1.26 -0.79 115.29 127.56 3ice s HIS 344 Ca -0.04 0.97 0.03 0.00 -0.15 0.00 0.00 55.06 55.87 3ice s HIS 344 Cb -0.20 -2.38 -0.03 0.00 1.11 0.00 0.00 32.58 31.08 3ice s HIS 344 CO -0.00 -0.06 0.08 -0.51 -0.85 0.00 0.00 174.74 173.40 3ice s LEU 345 N -3.79 2.13 -0.00 0.89 1.43 -0.39 -1.29 118.68 117.66 3ice s LEU 345 Ca 0.50 -1.62 0.01 0.00 -1.03 0.00 0.00 54.13 51.98 3ice s LEU 345 Cb -0.10 -0.34 -0.00 0.00 0.03 0.00 0.00 46.19 45.78 3ice s LEU 345 CO 0.31 -0.86 -0.03 -0.55 0.23 0.00 0.00 176.35 175.46 3ice s SER 346 N -3.67 0.33 0.28 2.29 0.15 -0.74 -4.67 113.70 107.66 3ice s SER 346 Ca 0.21 -0.08 0.01 0.00 0.70 0.00 0.00 55.95 56.79 3ice s SER 346 Cb 0.03 -0.03 0.40 0.00 -1.71 0.00 0.00 66.02 64.71 3ice s SER 346 CO 0.12 0.02 1.74 -0.09 1.20 0.00 0.00 173.24 176.22 3ice h ARG 347 N 6.00 0.57 -0.00 5.44 9.65 -1.90 -2.58 114.38 131.55 3ice h ARG 347 Ca -0.26 -0.19 -0.22 0.00 -1.10 0.00 0.00 59.98 58.20 3ice h ARG 347 Cb 1.20 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 29.73 3ice h ARG 347 CO 0.50 0.72 -0.92 0.87 2.80 0.00 0.00 179.97 183.94 3ice h LYS 348 N 0.52 0.37 0.00 0.20 1.57 -1.95 -1.03 116.57 116.25 3ice h LYS 348 Ca 0.09 -0.40 -0.05 0.00 -1.87 0.00 0.00 60.65 58.42 3ice h LYS 348 Cb 0.59 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 3ice h LYS 348 CO 0.04 1.08 -0.23 0.82 -0.57 0.00 0.00 179.45 180.59 3ice h ILE 349 N 0.21 0.45 0.00 1.86 2.04 -1.90 -3.11 117.51 117.07 3ice h ILE 349 Ca -0.07 -1.34 -0.14 0.00 1.00 0.00 0.00 64.86 64.32 3ice h ILE 349 Cb 1.56 1.98 -0.02 0.00 -0.74 0.00 0.00 36.82 39.59 3ice h ILE 349 CO 0.16 0.22 -0.89 0.00 0.00 0.00 0.00 178.15 177.64 3ice h ALA 350 N 1.77 0.64 0.00 1.87 0.00 -1.22 -2.50 119.26 119.83 3ice h ALA 350 Ca -0.00 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3ice h ALA 350 Cb 0.96 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3ice h ALA 350 CO 0.03 0.79 -0.17 0.39 0.00 0.00 0.00 179.25 180.29 3ice n GLU 351 N -3.11 0.26 -0.02 0.00 1.02 -0.41 -2.10 120.64 116.29 3ice n GLU 351 Ca -0.03 0.18 0.13 0.00 -0.02 0.00 0.00 57.16 57.42 3ice n GLU 351 Cb 0.79 -1.77 0.48 0.00 -0.02 0.00 0.00 31.44 30.93 3ice n GLU 351 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3ice n LYS 352 N -2.21 1.68 -1.56 3.49 4.81 -1.19 -4.92 118.16 118.27 3ice n LYS 352 Ca 0.05 -1.00 -0.15 0.00 -0.87 0.00 0.00 58.31 56.33 3ice n LYS 352 Cb 0.43 -1.46 -0.06 0.00 0.02 0.00 0.00 35.03 33.97 3ice n LYS 352 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 3ice n ARG 353 N 0.22 -1.09 -3.01 1.64 3.00 -0.89 -4.97 116.66 111.56 3ice n ARG 353 Ca 0.18 1.00 -0.41 0.00 -0.00 0.00 0.00 57.85 58.62 3ice n ARG 353 Cb 0.35 -5.18 -0.05 0.00 0.00 0.00 0.00 32.46 27.57 3ice n ARG 353 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3ice s VAL 354 N -2.60 4.88 0.01 5.15 1.01 -0.94 -5.04 120.40 122.88 3ice s VAL 354 Ca 0.00 1.20 0.03 0.00 0.00 0.00 0.00 61.98 63.21 3ice s VAL 354 Cb 0.00 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 3ice s VAL 354 CO 0.00 -0.11 -0.10 -0.36 0.00 0.00 0.00 175.10 174.52 3ice s PHE 355 N 2.74 0.92 0.30 5.22 0.08 -1.26 -2.86 117.98 123.12 3ice s PHE 355 Ca 0.30 -0.26 -0.29 0.00 0.12 0.00 0.00 56.93 56.80 3ice s PHE 355 Cb -0.15 -0.57 -0.10 0.00 -0.57 0.00 0.00 43.02 41.64 3ice s PHE 355 CO 0.10 -0.01 1.26 -1.25 -0.10 0.00 0.00 175.22 175.22 3ice s PRO 356 N -0.68 4.42 -0.79 0.24 0.04 -1.26 -4.93 135.00 132.04 3ice s PRO 356 Ca 0.01 2.10 -0.06 0.00 0.04 0.00 0.00 61.00 63.10 3ice s PRO 356 Cb -0.06 -3.11 -0.02 0.00 0.04 0.00 0.00 34.50 31.35 3ice s PRO 356 CO 0.00 -0.11 2.88 0.00 0.04 0.00 0.00 177.00 179.82 3ice n ALA 357 N 1.15 6.73 -1.79 8.56 0.00 -1.14 -4.96 120.51 129.06 3ice n ALA 357 Ca 0.01 -3.16 -0.36 0.00 0.00 0.00 0.00 53.44 49.93 3ice n ALA 357 Cb 0.43 -2.56 -0.05 0.00 0.00 0.00 0.00 19.45 17.26 3ice n ALA 357 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3ice s ILE 358 N -0.52 4.03 -0.96 0.00 1.01 -1.26 -1.78 121.20 121.71 3ice s ILE 358 Ca 0.61 1.52 -0.17 0.00 0.00 0.00 0.00 60.65 62.61 3ice s ILE 358 Cb 0.28 -3.77 0.16 0.00 0.01 0.00 0.00 42.46 39.14 3ice s ILE 358 CO -0.11 -0.03 1.12 -0.62 0.00 0.00 0.00 174.94 175.30 3ice s ASP 359 N -1.73 6.74 0.49 3.58 3.68 -0.42 -4.84 116.67 124.18 3ice s ASP 359 Ca 0.56 -2.34 0.14 0.00 2.13 0.00 0.00 52.55 53.04 3ice s ASP 359 Cb -0.18 -2.36 1.17 0.00 -1.45 0.00 0.00 42.92 40.09 3ice s ASP 359 CO 0.23 -0.91 2.12 0.22 0.13 0.00 0.00 175.17 176.96 3ice h TYR 360 N 8.34 0.13 -0.01 -5.34 3.20 -1.91 -1.95 116.97 119.44 3ice h TYR 360 Ca 0.18 0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.86 3ice h TYR 360 Cb 1.00 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.21 3ice h TYR 360 CO 1.12 0.08 -0.83 -0.91 -1.64 0.00 0.00 178.16 175.99 3ice h ASN 361 N 0.14 0.23 0.10 -2.11 2.35 -1.96 -3.22 115.58 111.12 3ice h ASN 361 Ca 0.04 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 3ice h ASN 361 Cb 0.00 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.30 3ice h ASN 361 CO -0.01 0.96 -0.32 0.54 -1.65 0.00 0.00 177.43 176.95 3ice n ARG 362 N -3.68 1.12 -2.40 0.81 1.74 -0.92 -4.94 116.66 108.39 3ice n ARG 362 Ca -0.03 -0.81 -0.25 0.00 -0.77 0.00 0.00 57.85 55.98 3ice n ARG 362 Cb 0.78 -1.48 0.13 0.00 -1.02 0.00 0.00 32.46 30.87 3ice n ARG 362 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3ice s SER 363 N -2.44 3.94 0.00 0.55 0.01 -0.78 -4.57 113.70 110.41 3ice s SER 363 Ca 0.23 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.28 3ice s SER 363 Cb 0.19 -0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.37 3ice s SER 363 CO 0.52 -2.15 0.00 0.61 0.41 0.00 0.00 173.24 172.63 3ice n GLY 364 N -3.13 4.00 3.77 3.44 0.00 -1.17 -4.95 105.19 107.15 3ice n GLY 364 Ca 0.15 -1.64 -0.26 0.00 0.00 0.00 0.00 46.02 44.28 3ice n GLY 364 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ice s THR 365 N -2.32 2.06 -0.15 2.61 -4.23 -1.26 -3.24 115.64 109.13 3ice s THR 365 Ca 0.00 -1.70 -0.08 0.00 -1.18 0.00 0.00 61.69 58.73 3ice s THR 365 Cb 0.00 -2.76 -0.04 0.00 1.34 0.00 0.00 72.50 71.03 3ice s THR 365 CO 0.00 0.00 0.13 -0.13 -0.54 0.00 0.00 174.62 174.08 3ice s ARG 366 N -3.96 3.69 -1.42 3.99 0.52 -0.32 -4.35 118.95 117.11 3ice s ARG 366 Ca 0.36 -0.17 -0.10 0.00 -0.52 0.00 0.00 55.73 55.30 3ice s ARG 366 Cb 0.03 -3.26 0.03 0.00 0.52 0.00 0.00 34.95 32.27 3ice s ARG 366 CO 0.20 0.61 1.08 1.63 0.02 0.00 0.00 175.30 178.84 3ice n LYS 367 N 2.52 -7.07 0.14 3.54 4.76 -1.26 -4.84 118.16 115.95 3ice n LYS 367 Ca -0.19 0.78 0.11 0.00 -2.87 0.00 0.00 58.31 56.14 3ice n LYS 367 Cb 0.54 -5.77 0.53 0.00 -1.84 0.00 0.00 35.03 28.49 3ice n LYS 367 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 3ice n GLU 368 N -4.83 0.17 0.25 1.97 0.28 -1.26 -2.46 120.64 114.76 3ice n GLU 368 Ca 0.01 0.52 0.08 0.00 -0.16 0.00 0.00 57.16 57.60 3ice n GLU 368 Cb 0.56 -1.91 0.62 0.00 1.43 0.00 0.00 31.44 32.14 3ice n GLU 368 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 177.13 178.02 3ice h GLU 369 N 0.00 0.00 -0.00 3.44 9.09 -1.89 0.57 114.58 125.80 3ice h GLU 369 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3ice h GLU 369 Cb 0.20 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.30 3ice h GLU 369 CO 0.00 0.07 -0.09 1.28 0.05 0.00 0.00 179.01 180.33 3ice n LEU 370 N -4.35 0.12 -0.73 3.06 4.77 -1.03 -3.33 117.00 115.51 3ice n LEU 370 Ca -0.03 0.34 0.08 0.00 -0.03 0.00 0.00 56.01 56.37 3ice n LEU 370 Cb 0.15 -0.40 0.12 0.00 -2.33 0.00 0.00 43.42 40.97 3ice n LEU 370 CO 0.34 0.03 0.57 0.18 -1.33 0.00 0.00 177.39 177.18 3ice n LEU 371 N -1.41 2.68 -3.92 2.23 4.77 0.17 -4.77 117.00 116.74 3ice n LEU 371 Ca 0.09 -1.37 -0.09 0.00 -0.03 0.00 0.00 56.01 54.61 3ice n LEU 371 Cb 0.32 -0.12 -0.08 0.00 -2.33 0.00 0.00 43.42 41.20 3ice n LEU 371 CO 0.27 0.57 -0.18 0.42 -1.33 0.00 0.00 177.39 177.14 3ice s THR 372 N -1.19 0.16 0.43 -5.08 -4.23 -1.03 -4.85 115.64 99.84 3ice s THR 372 Ca 0.24 -1.30 -0.18 0.00 -1.18 0.00 0.00 61.69 59.26 3ice s THR 372 Cb 0.15 -1.28 -0.10 0.00 1.34 0.00 0.00 72.50 72.61 3ice s THR 372 CO 0.21 -0.72 0.91 0.42 -0.54 0.00 0.00 174.62 174.90 3ice s THR 373 N -3.58 4.50 0.32 3.99 -4.23 -1.26 -4.80 115.64 110.58 3ice s THR 373 Ca 0.03 1.28 0.09 0.00 -1.18 0.00 0.00 61.69 61.91 3ice s THR 373 Cb 0.04 -3.64 0.33 0.00 1.34 0.00 0.00 72.50 70.57 3ice s THR 373 CO -0.09 -0.40 1.65 -0.61 -0.54 0.00 0.00 174.62 174.62 3ice h GLN 374 N 1.67 0.25 0.39 3.99 4.15 -1.99 0.40 115.11 123.97 3ice h GLN 374 Ca -0.48 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 58.92 3ice h GLN 374 Cb 1.18 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.79 3ice h GLN 374 CO 0.62 0.16 -0.36 0.93 -1.93 0.00 0.00 178.83 178.25 3ice h GLU 375 N 0.25 -0.74 -0.09 1.69 3.07 -1.99 -0.69 114.58 116.08 3ice h GLU 375 Ca 0.66 0.05 0.03 0.00 -0.50 0.00 0.00 59.36 59.60 3ice h GLU 375 Cb 1.44 0.17 -0.04 0.00 -0.84 0.00 0.00 28.75 29.47 3ice h GLU 375 CO -0.65 -0.50 -0.14 1.49 -1.40 0.00 0.00 179.01 177.82 3ice h GLU 376 N -0.77 -0.18 -0.57 2.33 4.81 -0.68 -1.95 114.58 117.57 3ice h GLU 376 Ca -0.03 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 3ice h GLU 376 Cb 0.68 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.08 3ice h GLU 376 CO -0.05 -0.12 0.23 1.25 -0.73 0.00 0.00 179.01 179.59 3ice h LEU 377 N -0.19 0.75 -0.26 1.64 5.85 -0.87 -3.02 115.31 119.21 3ice h LEU 377 Ca 0.08 -0.09 -0.10 0.00 0.84 0.00 0.00 57.88 58.61 3ice h LEU 377 Cb 0.30 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3ice h LEU 377 CO -0.20 0.67 -0.21 1.56 -0.34 0.00 0.00 178.44 179.92 3ice h GLN 378 N 0.81 0.60 -1.69 1.25 4.20 -0.68 0.11 115.11 119.72 3ice h GLN 378 Ca 0.20 -0.30 0.00 0.00 0.06 0.00 0.00 58.65 58.61 3ice h GLN 378 Cb 0.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.93 3ice h GLN 378 CO -0.02 0.89 0.00 0.36 -0.67 0.00 0.00 178.83 179.39 3ice n LYS 379 N -4.37 0.29 0.00 1.46 2.85 -0.77 -0.64 118.16 116.97 3ice n LYS 379 Ca -0.04 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.22 3ice n LYS 379 Cb 0.41 -1.35 0.00 0.00 -0.65 0.00 0.00 35.03 33.44 3ice n LYS 379 CO 0.00 0.00 0.00 1.87 -0.05 0.00 0.00 177.40 179.22 3ice n TRP 381 N 0.85 0.00 0.37 5.58 -0.00 0.39 -0.80 117.44 123.83 3ice n TRP 381 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.50 57.33 3ice n TRP 381 Cb 0.14 0.00 -0.09 0.00 -0.00 0.00 0.00 31.31 31.37 3ice n TRP 381 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 177.69 178.51 3ice h ILE 382 N 0.00 0.29 -0.71 5.87 2.04 -1.14 -2.86 117.51 120.99 3ice h ILE 382 Ca 0.00 -0.11 0.14 0.00 1.00 0.00 0.00 64.86 65.89 3ice h ILE 382 Cb 0.00 0.32 -0.05 0.00 -0.74 0.00 0.00 36.82 36.36 3ice h ILE 382 CO 0.00 0.01 0.48 0.25 0.00 0.00 0.00 178.15 178.89 3ice h LEU 383 N -1.00 0.36 0.32 1.44 6.46 -1.23 -1.16 115.31 120.50 3ice h LEU 383 Ca -0.09 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.67 3ice h LEU 383 Cb 0.73 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.60 3ice h LEU 383 CO 0.15 0.19 -0.16 -0.09 -0.62 0.00 0.00 178.44 177.91 3ice h ARG 384 N 0.39 -0.43 -0.12 1.25 9.65 -1.77 -2.01 114.38 121.34 3ice h ARG 384 Ca 0.35 0.03 -0.06 0.00 -1.10 0.00 0.00 59.98 59.19 3ice h ARG 384 Cb 0.80 0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.47 3ice h ARG 384 CO -0.10 -0.29 -0.21 0.87 2.80 0.00 0.00 179.97 183.04 3ice h LYS 385 N -0.45 0.20 -0.51 0.20 1.57 -1.01 -0.20 116.57 116.37 3ice h LYS 385 Ca -0.04 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.60 3ice h LYS 385 Cb 0.35 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 3ice h LYS 385 CO 0.06 0.41 -0.01 0.82 -0.57 0.00 0.00 179.45 180.16 3ice h ILE 386 N 0.18 1.25 0.04 1.86 2.04 -1.25 -3.24 117.51 118.40 3ice h ILE 386 Ca 0.03 -1.07 -0.26 0.00 1.00 0.00 0.00 64.86 64.57 3ice h ILE 386 Cb 0.49 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 3ice h ILE 386 CO 0.03 0.38 -1.28 0.40 0.00 0.00 0.00 178.15 177.68 3ice h ILE 387 N 0.80 1.40 -0.88 -0.67 1.08 -0.73 -3.38 117.51 115.13 3ice h ILE 387 Ca 0.15 -3.10 0.21 0.00 -0.39 0.00 0.00 64.86 61.73 3ice h ILE 387 Cb 0.50 2.76 -0.16 0.00 -3.07 0.00 0.00 36.82 36.85 3ice h ILE 387 CO 0.02 0.84 -0.03 -0.74 -0.69 0.00 0.00 178.15 177.56 3ice h HIS 388 N 0.03 -0.13 0.00 1.37 2.76 -1.08 -3.44 115.15 114.66 3ice h HIS 388 Ca -0.13 0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.11 3ice h HIS 388 Cb 1.90 0.20 0.00 0.00 1.55 0.00 0.00 27.41 31.06 3ice h HIS 388 CO 0.02 -0.34 0.00 -2.30 -1.30 0.00 0.00 177.93 174.01 3ice n PRO 389 N -5.45 0.30 -4.43 5.26 -0.02 -1.26 -5.04 135.00 124.36 3ice n PRO 389 Ca 0.18 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.36 3ice n PRO 389 Cb 0.59 -1.22 -0.06 0.00 -0.02 0.00 0.00 33.50 32.78 3ice n PRO 389 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3ice s GLY 391 N -0.12 2.69 0.07 -1.23 0.00 -1.26 -5.12 107.32 102.35 3ice s GLY 391 Ca 0.00 -1.15 -0.34 0.00 0.00 0.00 0.00 44.72 43.23 3ice s GLY 391 CO 0.00 -2.08 1.62 0.83 0.00 0.00 0.00 173.10 173.47 3ice h GLU 392 N 1.28 -0.93 -0.17 2.90 5.08 -1.98 0.23 114.58 121.00 3ice h GLU 392 Ca -0.42 0.06 -0.21 0.00 -1.00 0.00 0.00 59.36 57.80 3ice h GLU 392 Cb 1.29 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.76 3ice h GLU 392 CO 0.71 -0.62 -0.71 0.82 -1.00 0.00 0.00 179.01 178.21 3ice h ILE 393 N -0.96 1.30 -0.00 3.13 5.03 -1.93 -3.25 117.51 120.82 3ice h ILE 393 Ca -0.09 -1.94 0.02 0.00 -0.12 0.00 0.00 64.86 62.73 3ice h ILE 393 Cb 0.75 1.91 -0.02 0.00 -3.03 0.00 0.00 36.82 36.44 3ice h ILE 393 CO 0.14 0.61 -0.09 0.44 -0.68 0.00 0.00 178.15 178.57 3ice h ASP 394 N 0.51 -0.27 0.00 1.72 5.19 -2.00 -0.15 116.42 121.43 3ice h ASP 394 Ca -0.03 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 3ice h ASP 394 Cb 1.32 0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.94 3ice h ASP 394 CO 0.14 -0.14 0.00 0.00 -3.12 0.00 0.00 179.24 176.13 3ice n ALA 395 N -2.34 1.47 0.00 3.45 0.00 0.82 -1.00 120.51 122.91 3ice n ALA 395 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3ice n ALA 395 Cb 0.14 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.59 3ice n ALA 395 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3ice n GLU 397 N 0.59 0.00 0.04 0.00 1.02 -0.07 -0.99 120.64 121.23 3ice n GLU 397 Ca 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.99 3ice n GLU 397 Cb 0.07 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.41 3ice n GLU 397 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 3ice h PHE 398 N 0.00 -1.44 -0.32 -0.32 3.57 -1.29 -0.56 116.94 116.58 3ice h PHE 398 Ca 0.00 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 3ice h PHE 398 Cb 0.00 0.64 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 3ice h PHE 398 CO 0.00 -0.54 0.19 1.25 -2.23 0.00 0.00 178.31 176.98 3ice h LEU 399 N -0.61 0.39 -0.13 0.59 5.85 -1.32 -1.75 115.31 118.33 3ice h LEU 399 Ca 0.03 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.71 3ice h LEU 399 Cb 0.69 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 3ice h LEU 399 CO -0.37 0.33 0.06 0.40 -0.34 0.00 0.00 178.44 178.52 3ice h ILE 400 N 0.41 0.99 -0.32 4.05 2.04 -1.78 0.12 117.51 123.02 3ice h ILE 400 Ca 0.11 -0.04 -0.06 0.00 1.00 0.00 0.00 64.86 65.87 3ice h ILE 400 Cb 0.01 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 3ice h ILE 400 CO -0.02 0.02 -0.03 0.78 0.00 0.00 0.00 178.15 178.90 3ice h ASN 401 N 0.13 0.58 0.53 1.72 -0.26 -0.94 -1.35 115.58 115.99 3ice h ASN 401 Ca 0.05 -0.33 -0.11 0.00 -0.56 0.00 0.00 56.30 55.35 3ice h ASN 401 Cb 0.01 -0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.10 3ice h ASN 401 CO -0.04 0.78 -0.51 0.11 -1.06 0.00 0.00 177.43 176.71 3ice h LYS 402 N 0.38 0.00 -0.14 0.81 1.57 -1.30 -3.06 116.57 114.83 3ice h LYS 402 Ca 0.09 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.74 3ice h LYS 402 Cb 0.49 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 3ice h LYS 402 CO 0.02 0.51 -0.49 -0.07 -0.57 0.00 0.00 179.45 178.85 3ice h LEU 403 N 0.00 0.39 -7.86 2.94 3.38 -0.45 -3.44 115.31 110.28 3ice h LEU 403 Ca -0.01 -0.19 -0.68 0.00 0.09 0.00 0.00 57.88 57.09 3ice h LEU 403 Cb 0.91 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 41.46 3ice h LEU 403 CO 0.07 0.82 2.13 0.00 0.09 0.00 0.00 178.44 181.54 3ice s ALA 404 N -4.03 3.33 0.47 1.53 0.00 -0.54 -4.76 121.76 117.76 3ice s ALA 404 Ca -0.05 -2.91 -0.03 0.00 0.00 0.00 0.00 51.96 48.96 3ice s ALA 404 Cb 0.12 -4.61 -0.02 0.00 0.00 0.00 0.00 23.12 18.61 3ice s ALA 404 CO 0.80 -3.29 -0.17 -2.37 0.00 0.00 0.00 175.76 170.73 3ice n THR 406 N 6.32 0.00 -1.47 0.00 5.66 -1.26 -5.04 114.28 118.49 3ice n THR 406 Ca 0.47 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 61.16 3ice n THR 406 Cb 0.46 0.00 0.07 0.00 -1.55 0.00 0.00 70.33 69.31 3ice n THR 406 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 3ice s LYS 407 N -1.67 2.58 0.22 1.09 2.20 -1.26 -4.83 119.74 118.07 3ice s LYS 407 Ca 0.04 1.16 -0.09 0.00 -0.36 0.00 0.00 55.97 56.73 3ice s LYS 407 Cb 0.01 -1.94 0.19 0.00 -1.51 0.00 0.00 37.83 34.59 3ice s LYS 407 CO 0.07 -1.40 1.88 0.00 -0.36 0.00 0.00 175.35 175.55 3ice h THR 408 N -0.72 1.22 -0.47 3.43 1.03 -1.91 -1.23 112.91 114.26 3ice h THR 408 Ca -0.44 -0.44 -0.02 0.00 -0.01 0.00 0.00 66.41 65.49 3ice h THR 408 Cb 1.23 0.01 -0.02 0.00 -1.07 0.00 0.00 68.15 68.30 3ice h THR 408 CO 0.53 0.22 0.22 -1.13 -0.01 0.00 0.00 175.52 175.36 3ice h ASN 409 N 1.15 0.63 0.24 0.00 -1.24 -1.99 -2.29 115.58 112.07 3ice h ASN 409 Ca 0.31 -0.14 -0.05 0.00 0.71 0.00 0.00 56.30 57.13 3ice h ASN 409 Cb -0.10 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 38.79 3ice h ASN 409 CO -0.06 0.59 -0.24 0.44 -1.29 0.00 0.00 177.43 176.87 3ice h ASP 410 N 0.62 0.00 -0.77 1.15 3.32 -1.74 0.07 116.42 119.07 3ice h ASP 410 Ca 0.16 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.23 3ice h ASP 410 Cb 0.14 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.64 3ice h ASP 410 CO -0.02 0.24 0.50 -0.78 -1.72 0.00 0.00 179.24 177.46 3ice h ASP 411 N 0.00 0.84 0.33 6.45 3.58 -0.72 -1.14 116.42 125.77 3ice h ASP 411 Ca -0.00 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.43 3ice h ASP 411 Cb 0.42 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.25 3ice h ASP 411 CO 0.03 0.59 -0.50 0.15 -2.88 0.00 0.00 179.24 176.63 3ice h PHE 412 N 0.99 -1.42 -0.11 0.28 3.57 -0.53 -3.16 116.94 116.56 3ice h PHE 412 Ca 0.30 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.83 3ice h PHE 412 Cb -0.04 0.58 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 3ice h PHE 412 CO -0.03 -0.62 -0.14 0.74 -2.23 0.00 0.00 178.31 176.03 3ice h PHE 413 N -0.88 -0.43 0.00 0.41 0.04 -1.14 -3.52 116.94 111.42 3ice h PHE 413 Ca -0.04 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.75 3ice h PHE 413 Cb 0.80 0.20 0.00 0.00 2.20 0.00 0.00 35.95 39.15 3ice h PHE 413 CO -0.34 -0.12 0.00 -1.91 -0.60 0.00 0.00 178.31 175.34