#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ati h VAL 24 N 0.00 0.33 -0.63 3.53 2.07 -2.00 -2.35 116.25 117.20 2ati h VAL 24 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 2ati h VAL 24 Cb 0.00 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 2ati h VAL 24 CO 0.00 0.00 0.42 0.00 0.02 0.00 0.00 177.57 178.01 2ati h ALA 25 N -0.00 1.63 -0.08 1.67 0.00 -1.99 -1.32 119.26 119.17 2ati h ALA 25 Ca 0.01 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 2ati h ALA 25 Cb 0.59 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2ati h ALA 25 CO -0.13 0.31 -0.71 0.93 0.00 0.00 0.00 179.25 179.65 2ati h GLU 26 N 0.77 0.37 -0.19 0.00 5.08 -1.98 -2.53 114.58 116.10 2ati h GLU 26 Ca 0.25 -0.29 -0.14 0.00 -1.00 0.00 0.00 59.36 58.17 2ati h GLU 26 Cb 0.04 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2ati h GLU 26 CO -0.07 0.93 -0.49 -0.07 -1.00 0.00 0.00 179.01 178.32 2ati h LEU 27 N 0.26 0.55 -0.41 1.33 3.38 -0.85 -1.83 115.31 117.73 2ati h LEU 27 Ca -0.02 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.62 2ati h LEU 27 Cb 1.27 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 2ati h LEU 27 CO 0.12 0.95 0.05 0.11 0.09 0.00 0.00 178.44 179.76 2ati h LYS 28 N 0.40 0.69 -0.60 1.13 1.57 -1.19 -0.87 116.57 117.70 2ati h LYS 28 Ca 0.02 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.57 2ati h LYS 28 Cb 1.00 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.21 2ati h LYS 28 CO 0.09 0.74 0.22 0.87 -0.57 0.00 0.00 179.45 180.80 2ati h LYS 29 N 0.54 0.92 -0.44 3.15 1.57 -1.36 -1.17 116.57 119.78 2ati h LYS 29 Ca 0.12 -0.18 -0.09 0.00 -1.87 0.00 0.00 60.65 58.63 2ati h LYS 29 Cb 0.40 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 2ati h LYS 29 CO 0.01 0.80 -0.11 0.77 -0.57 0.00 0.00 179.45 180.35 2ati h SER 30 N 0.85 0.78 -0.09 0.86 0.02 -1.17 -0.41 113.55 114.39 2ati h SER 30 Ca 0.20 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 2ati h SER 30 Cb 0.24 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.56 2ati h SER 30 CO -0.01 0.91 0.03 0.15 -1.14 0.00 0.00 176.83 176.77 2ati h PHE 31 N 0.71 0.13 -0.40 3.45 3.04 -0.92 -1.37 116.94 121.58 2ati h PHE 31 Ca 0.12 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.03 2ati h PHE 31 Cb 0.60 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 39.05 2ati h PHE 31 CO 0.03 0.26 0.13 -0.91 -2.02 0.00 0.00 178.31 175.80 2ati h ASN 32 N -0.03 0.52 -0.28 0.41 -0.26 -0.97 0.12 115.58 115.08 2ati h ASN 32 Ca 0.03 -0.06 -0.08 0.00 -0.56 0.00 0.00 56.30 55.62 2ati h ASN 32 Cb 0.19 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.31 2ati h ASN 32 CO -0.00 0.50 -0.15 -0.09 -1.06 0.00 0.00 177.43 176.63 2ati h ARG 33 N 0.57 0.60 -0.50 0.81 2.43 -0.89 -2.04 114.38 115.36 2ati h ARG 33 Ca 0.14 -0.27 -0.13 0.00 -0.81 0.00 0.00 59.98 58.91 2ati h ARG 33 Cb 0.17 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 2ati h ARG 33 CO -0.01 0.85 -0.18 0.45 -1.51 0.00 0.00 179.97 179.57 2ati h HIS 34 N 0.34 1.15 -0.73 2.20 3.86 -0.87 -0.00 115.15 121.09 2ati h HIS 34 Ca 0.06 -0.26 -0.01 0.00 -1.16 0.00 0.00 60.37 59.00 2ati h HIS 34 Cb 0.68 -0.27 -0.04 0.00 1.06 0.00 0.00 27.41 28.84 2ati h HIS 34 CO 0.06 1.09 0.43 1.25 0.86 0.00 0.00 177.93 181.62 2ati h LEU 35 N 0.87 0.87 0.20 2.43 5.85 -0.89 0.37 115.31 125.01 2ati h LEU 35 Ca 0.12 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 2ati h LEU 35 Cb 0.75 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.57 2ati h LEU 35 CO 0.06 0.68 -0.09 -0.74 -0.34 0.00 0.00 178.44 178.01 2ati h HIS 36 N 1.00 -0.24 0.11 1.25 2.76 -1.18 -1.77 115.15 117.08 2ati h HIS 36 Ca 0.26 -0.01 -0.29 0.00 -2.20 0.00 0.00 60.37 58.13 2ati h HIS 36 Cb -0.02 0.08 0.03 0.00 1.55 0.00 0.00 27.41 29.04 2ati h HIS 36 CO 0.00 -0.15 -1.22 0.74 -1.30 0.00 0.00 177.93 176.00 2ati h PHE 37 N -0.83 0.96 0.17 5.26 0.04 -1.01 -2.17 116.94 119.36 2ati h PHE 37 Ca -0.03 -0.60 -0.33 0.00 2.80 0.00 0.00 57.97 59.81 2ati h PHE 37 Cb 0.20 -0.08 0.01 0.00 2.20 0.00 0.00 35.95 38.28 2ati h PHE 37 CO 0.01 1.45 -1.57 1.15 -0.60 0.00 0.00 178.31 178.75 2ati h THR 38 N 0.27 1.13 -0.00 -1.55 2.02 -1.12 -3.37 112.91 110.29 2ati h THR 38 Ca -0.18 -2.70 0.00 0.00 0.77 0.00 0.00 66.41 64.30 2ati h THR 38 Cb 1.90 2.83 0.00 0.00 -1.74 0.00 0.00 68.15 71.14 2ati h THR 38 CO 0.23 0.84 -0.93 0.18 0.37 0.00 0.00 175.52 176.21 2ati n LEU 39 N -3.56 1.10 -3.80 2.58 7.99 -0.83 -5.01 117.00 115.47 2ati n LEU 39 Ca -0.19 -0.53 -0.25 0.00 -0.01 0.00 0.00 56.01 55.03 2ati n LEU 39 Cb 1.07 0.00 0.03 0.00 -0.11 0.00 0.00 43.42 44.40 2ati n LEU 39 CO 0.53 0.26 -0.00 0.52 -1.51 0.00 0.00 177.39 177.19 2ati n VAL 40 N -1.33 -3.39 -4.13 4.08 0.31 -0.82 -4.98 118.33 108.08 2ati n VAL 40 Ca 0.05 -0.29 -0.11 0.00 -0.01 0.00 0.00 64.34 63.97 2ati n VAL 40 Cb 0.34 -3.33 -0.10 0.00 -0.91 0.00 0.00 33.84 29.83 2ati n VAL 40 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2ati s LYS 41 N -6.28 0.73 0.50 5.55 -0.14 -0.69 -5.02 119.74 114.39 2ati s LYS 41 Ca 0.28 -1.15 0.04 0.00 -1.36 0.00 0.00 55.97 53.78 2ati s LYS 41 Cb -0.14 -0.22 -0.00 0.00 -1.68 0.00 0.00 37.83 35.79 2ati s LYS 41 CO 0.82 0.00 0.19 0.16 -0.76 0.00 0.00 175.35 175.77 2ati s ASP 42 N -2.58 4.37 0.50 2.83 1.47 -1.26 -3.75 116.67 118.25 2ati s ASP 42 Ca 0.05 -1.37 0.33 0.00 1.18 0.00 0.00 52.55 52.75 2ati s ASP 42 Cb 0.01 0.23 1.59 0.00 -0.34 0.00 0.00 42.92 44.41 2ati s ASP 42 CO -0.03 -0.86 2.00 0.03 0.68 0.00 0.00 175.17 176.99 2ati h ARG 43 N 1.16 0.00 -0.12 2.11 2.47 -1.98 -2.53 114.38 115.48 2ati h ARG 43 Ca -0.41 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.20 2ati h ARG 43 Cb 1.29 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.62 2ati h ARG 43 CO 0.67 0.00 -0.34 -0.91 0.56 0.00 0.00 179.97 179.95 2ati h ASN 44 N 0.00 0.51 -0.13 7.04 2.35 -2.05 -3.36 115.58 119.95 2ati h ASN 44 Ca 0.00 -0.59 0.00 0.00 -0.55 0.00 0.00 56.30 55.16 2ati h ASN 44 Cb 0.26 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.48 2ati h ASN 44 CO 0.00 1.01 0.00 1.33 -1.65 0.00 0.00 177.43 178.12 2ati n VAL 45 N -4.37 0.38 -2.10 2.81 0.24 -1.21 -5.03 118.33 109.06 2ati n VAL 45 Ca -0.07 -0.69 -0.41 0.00 -2.04 0.00 0.00 64.34 61.13 2ati n VAL 45 Cb 0.50 0.94 -0.02 0.00 -1.47 0.00 0.00 33.84 33.79 2ati n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ati s ALA 46 N -0.90 3.53 0.58 2.33 0.00 -0.96 -4.96 121.76 121.39 2ati s ALA 46 Ca 0.15 1.27 0.04 0.00 0.00 0.00 0.00 51.96 53.42 2ati s ALA 46 Cb 0.09 -3.50 0.07 0.00 0.00 0.00 0.00 23.12 19.79 2ati s ALA 46 CO 0.13 -0.66 0.81 0.95 0.00 0.00 0.00 175.76 176.99 2ati s THR 47 N -0.77 2.42 0.21 0.00 -4.23 -1.26 -4.99 115.64 107.02 2ati s THR 47 Ca 0.52 -0.81 -0.04 0.00 -1.18 0.00 0.00 61.69 60.18 2ati s THR 47 Cb -0.40 -2.61 0.02 0.00 1.34 0.00 0.00 72.50 70.85 2ati s THR 47 CO 0.50 0.00 1.61 0.74 -0.54 0.00 0.00 174.62 176.93 2ati h THR 48 N 0.04 1.28 -0.74 3.99 2.02 -1.99 -1.98 112.91 115.51 2ati h THR 48 Ca -0.36 -1.40 -0.02 0.00 0.77 0.00 0.00 66.41 65.40 2ati h THR 48 Cb 1.28 1.31 -0.03 0.00 -1.74 0.00 0.00 68.15 68.96 2ati h THR 48 CO 0.44 0.46 0.39 -0.09 0.37 0.00 0.00 175.52 177.08 2ati h ARG 49 N 0.62 1.05 -0.70 6.66 2.43 -1.95 -1.19 114.38 121.31 2ati h ARG 49 Ca 0.08 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 2ati h ARG 49 Cb 0.79 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 30.11 2ati h ARG 49 CO 0.06 0.80 0.40 -0.44 -1.51 0.00 0.00 179.97 179.28 2ati h ASP 50 N 1.03 0.87 -0.55 -3.80 3.32 -1.84 -1.21 116.42 114.24 2ati h ASP 50 Ca 0.26 -0.08 -0.09 0.00 0.02 0.00 0.00 57.03 57.13 2ati h ASP 50 Cb 0.07 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 2ati h ASP 50 CO -0.04 0.70 -0.01 1.88 -1.72 0.00 0.00 179.24 180.05 2ati h TYR 51 N 0.96 1.09 0.31 4.55 0.05 -0.94 -0.92 116.97 122.08 2ati h TYR 51 Ca 0.25 -0.18 -0.02 0.00 0.05 0.00 0.00 58.73 58.83 2ati h TYR 51 Cb 0.01 -0.29 0.00 0.00 1.01 0.00 0.00 36.73 37.47 2ati h TYR 51 CO -0.01 0.97 -0.15 -0.92 -1.05 0.00 0.00 178.16 177.01 2ati h TYR 52 N 0.92 -0.39 -0.96 4.88 3.20 -0.88 -1.79 116.97 121.95 2ati h TYR 52 Ca 0.16 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.10 2ati h TYR 52 Cb 0.55 0.13 -0.07 0.00 1.54 0.00 0.00 36.73 38.88 2ati h TYR 52 CO 0.04 -0.21 0.62 0.74 -1.64 0.00 0.00 178.16 177.71 2ati h PHE 53 N -0.47 1.13 -0.48 -3.82 0.04 -1.12 0.16 116.94 112.38 2ati h PHE 53 Ca -0.04 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.70 2ati h PHE 53 Cb 0.36 -0.37 -0.02 0.00 2.20 0.00 0.00 35.95 38.12 2ati h PHE 53 CO -0.04 0.57 0.09 0.00 -0.60 0.00 0.00 178.31 178.33 2ati h ALA 54 N 1.49 0.64 -0.34 2.45 0.00 -0.98 -0.83 119.26 121.69 2ati h ALA 54 Ca 0.42 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 2ati h ALA 54 Cb 0.23 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2ati h ALA 54 CO -0.17 0.36 -0.17 1.25 0.00 0.00 0.00 179.25 180.52 2ati h LEU 55 N 0.67 0.73 -0.47 0.00 5.85 -0.94 -2.05 115.31 119.10 2ati h LEU 55 Ca 0.15 -0.41 0.03 0.00 0.84 0.00 0.00 57.88 58.49 2ati h LEU 55 Cb 0.37 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 2ati h LEU 55 CO 0.01 0.98 0.26 0.00 -0.34 0.00 0.00 178.44 179.34 2ati h ALA 56 N 0.78 0.59 -0.26 1.25 0.00 -0.52 0.23 119.26 121.34 2ati h ALA 56 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 2ati h ALA 56 Cb 0.70 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2ati h ALA 56 CO 0.05 -0.07 -0.27 0.45 0.00 0.00 0.00 179.25 179.41 2ati h HIS 57 N 0.52 0.57 -0.47 0.00 3.86 -1.13 -0.20 115.15 118.30 2ati h HIS 57 Ca 0.19 -0.13 -0.07 0.00 -1.16 0.00 0.00 60.37 59.21 2ati h HIS 57 Cb 0.06 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.37 2ati h HIS 57 CO -0.08 0.73 0.04 1.15 0.86 0.00 0.00 177.93 180.63 2ati h THR 58 N 0.44 1.26 -0.29 2.45 2.02 -0.73 -1.49 112.91 116.57 2ati h THR 58 Ca 0.06 -0.99 -0.12 0.00 0.77 0.00 0.00 66.41 66.13 2ati h THR 58 Cb 0.71 0.97 -0.00 0.00 -1.74 0.00 0.00 68.15 68.09 2ati h THR 58 CO 0.05 0.35 -0.27 0.58 0.37 0.00 0.00 175.52 176.60 2ati h VAL 59 N 0.67 1.30 -0.72 3.16 2.07 -0.76 -3.09 116.25 118.89 2ati h VAL 59 Ca 0.14 -1.43 -0.02 0.00 0.82 0.00 0.00 66.70 66.21 2ati h VAL 59 Cb 0.45 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 2ati h VAL 59 CO 0.02 0.46 0.37 -0.09 0.02 0.00 0.00 177.57 178.35 2ati h ARG 60 N 0.45 1.00 -0.52 1.57 2.43 -0.93 -2.36 114.38 116.01 2ati h ARG 60 Ca 0.05 -0.12 0.08 0.00 -0.81 0.00 0.00 59.98 59.18 2ati h ARG 60 Cb 0.84 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 30.16 2ati h ARG 60 CO 0.07 0.75 0.35 -0.44 -1.51 0.00 0.00 179.97 179.19 2ati h ASP 61 N 1.00 0.31 0.81 -3.80 3.32 -1.18 -1.32 116.42 115.56 2ati h ASP 61 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 2ati h ASP 61 Cb 0.05 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.54 2ati h ASP 61 CO -0.04 0.20 0.00 1.41 -1.72 0.00 0.00 179.24 179.09 2ati n HIS 62 N -4.47 0.25 -0.07 4.55 8.25 -0.89 -3.19 115.22 119.66 2ati n HIS 62 Ca 0.08 0.09 -0.11 0.00 -0.26 0.00 0.00 57.72 57.51 2ati n HIS 62 Cb 0.33 -0.64 -0.15 0.00 1.12 0.00 0.00 29.99 30.65 2ati n HIS 62 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2ati n LEU 63 N -1.72 0.81 -0.24 2.41 4.77 -0.51 -4.69 117.00 117.83 2ati n LEU 63 Ca 0.05 0.16 -0.00 0.00 -0.03 0.00 0.00 56.01 56.18 2ati n LEU 63 Cb 0.26 0.12 0.07 0.00 -2.33 0.00 0.00 43.42 41.54 2ati n LEU 63 CO 0.21 0.53 0.70 0.58 -1.33 0.00 0.00 177.39 178.07 2ati h VAL 64 N 0.01 0.26 -0.50 4.08 2.07 -1.48 -0.39 116.25 120.30 2ati h VAL 64 Ca -0.44 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.09 2ati h VAL 64 Cb 2.11 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 2ati h VAL 64 CO 0.04 0.00 0.31 1.23 0.02 0.00 0.00 177.57 179.18 2ati h GLY 65 N -0.03 0.70 2.00 2.17 0.00 -1.84 -1.27 103.07 104.80 2ati h GLY 65 Ca 0.32 -0.24 -0.05 0.00 0.00 0.00 0.00 47.33 47.36 2ati h GLY 65 CO -0.73 0.22 -0.24 3.21 0.00 0.00 0.00 176.54 179.00 2ati h ARG 66 N 0.63 0.00 -0.04 4.80 3.08 -1.79 -2.12 114.38 118.95 2ati h ARG 66 Ca 0.19 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.09 2ati h ARG 66 Cb -0.03 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.03 2ati h ARG 66 CO -0.06 0.24 -0.56 2.35 -1.07 0.00 0.00 179.97 180.86 2ati h TRP 67 N 0.00 0.64 -0.24 3.04 7.01 -0.50 -1.58 115.95 124.33 2ati h TRP 67 Ca -0.00 -0.32 -0.04 0.00 2.11 0.00 0.00 58.89 60.64 2ati h TRP 67 Cb 0.95 -0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.92 2ati h TRP 67 CO 0.00 1.12 -0.01 0.82 -2.79 0.00 0.00 178.44 177.58 2ati h ILE 68 N -0.02 1.26 -0.41 2.65 2.04 -1.24 -2.58 117.51 119.20 2ati h ILE 68 Ca -0.06 -0.92 -0.03 0.00 1.00 0.00 0.00 64.86 64.85 2ati h ILE 68 Cb 1.25 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 38.70 2ati h ILE 68 CO 0.11 0.29 0.12 0.03 0.00 0.00 0.00 178.15 178.70 2ati h ARG 69 N 0.19 0.60 -0.12 2.37 3.08 -1.44 -0.09 114.38 118.97 2ati h ARG 69 Ca 0.07 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 2ati h ARG 69 Cb 0.43 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 2ati h ARG 69 CO 0.01 0.54 -0.12 1.15 -1.07 0.00 0.00 179.97 180.48 2ati h THR 70 N 0.59 1.35 0.00 2.04 2.02 -1.20 -0.47 112.91 117.25 2ati h THR 70 Ca 0.14 -1.29 -0.10 0.00 0.77 0.00 0.00 66.41 65.93 2ati h THR 70 Cb 0.19 1.92 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 2ati h THR 70 CO -0.01 0.37 -0.49 1.56 0.37 0.00 0.00 175.52 177.32 2ati h GLN 71 N -0.09 0.00 -0.26 6.66 1.08 -1.28 -2.16 115.11 119.06 2ati h GLN 71 Ca 0.02 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.04 2ati h GLN 71 Cb 0.65 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.08 2ati h GLN 71 CO 0.03 0.49 -0.54 0.37 -0.95 0.00 0.00 178.83 178.24 2ati h GLN 72 N 0.00 0.78 -0.71 1.46 4.15 -0.96 -2.64 115.11 117.19 2ati h GLN 72 Ca -0.00 -0.49 -0.04 0.00 0.77 0.00 0.00 58.65 58.89 2ati h GLN 72 Cb 0.88 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.60 2ati h GLN 72 CO 0.06 1.12 0.29 1.25 -1.93 0.00 0.00 178.83 179.63 2ati h HIS 73 N 0.60 1.07 -0.18 3.99 2.76 -0.71 -0.85 115.15 121.84 2ati h HIS 73 Ca 0.02 -0.08 -0.08 0.00 -2.20 0.00 0.00 60.37 58.03 2ati h HIS 73 Cb 1.13 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 29.75 2ati h HIS 73 CO 0.06 0.82 -0.26 1.88 -1.30 0.00 0.00 177.93 179.14 2ati h TYR 74 N 1.01 0.37 -0.08 5.26 0.05 -1.31 -0.62 116.97 121.65 2ati h TYR 74 Ca 0.24 -0.07 -0.20 0.00 0.05 0.00 0.00 58.73 58.75 2ati h TYR 74 Cb 0.20 -0.09 0.01 0.00 1.01 0.00 0.00 36.73 37.85 2ati h TYR 74 CO 0.01 0.57 -0.73 -0.92 -1.05 0.00 0.00 178.16 176.04 2ati h TYR 75 N 0.30 0.89 -0.16 4.88 3.20 -1.14 -2.45 116.97 122.49 2ati h TYR 75 Ca 0.05 -0.43 -0.20 0.00 3.14 0.00 0.00 58.73 61.29 2ati h TYR 75 Cb 0.61 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.76 2ati h TYR 75 CO 0.01 1.24 -0.69 -0.44 -1.64 0.00 0.00 178.16 176.65 2ati h ASP 76 N 0.28 0.76 0.00 -2.11 3.32 -0.95 -3.36 116.42 114.36 2ati h ASP 76 Ca -0.07 -0.47 0.00 0.00 0.02 0.00 0.00 57.03 56.51 2ati h ASP 76 Cb 1.39 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.71 2ati h ASP 76 CO 0.15 1.23 -1.50 0.29 -1.72 0.00 0.00 179.24 177.69 2ati n LYS 77 N -3.92 0.74 -3.74 3.56 4.76 -0.26 -5.05 118.16 114.24 2ati n LYS 77 Ca -0.05 -0.11 -0.27 0.00 -2.87 0.00 0.00 58.31 55.00 2ati n LYS 77 Cb 0.69 -1.41 0.03 0.00 -1.84 0.00 0.00 35.03 32.50 2ati n LYS 77 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2ati s PRO 79 N -6.08 2.57 0.09 0.00 0.04 -1.26 -4.94 135.00 125.42 2ati s PRO 79 Ca 0.26 0.60 -0.31 0.00 0.04 0.00 0.00 61.00 61.59 2ati s PRO 79 Cb -0.09 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.38 2ati s PRO 79 CO 0.86 -1.27 1.76 0.21 0.04 0.00 0.00 177.00 178.60 2ati s LYS 80 N -5.24 4.16 0.12 4.56 2.20 -1.26 -4.97 119.74 119.32 2ati s LYS 80 Ca 0.59 2.48 -0.16 0.00 -0.36 0.00 0.00 55.97 58.52 2ati s LYS 80 Cb -0.13 -3.64 -0.07 0.00 -1.51 0.00 0.00 37.83 32.48 2ati s LYS 80 CO 0.53 -0.81 0.56 1.03 -0.36 0.00 0.00 175.35 176.30 2ati s ARG 81 N 2.85 4.05 -0.16 4.03 0.52 -0.64 -4.49 118.95 125.11 2ati s ARG 81 Ca 0.78 0.57 -0.02 0.00 -0.52 0.00 0.00 55.73 56.54 2ati s ARG 81 Cb -0.43 -3.03 -0.02 0.00 0.52 0.00 0.00 34.95 32.00 2ati s ARG 81 CO 0.35 0.53 -0.08 0.08 0.02 0.00 0.00 175.30 176.20 2ati s VAL 82 N -1.35 3.38 -0.31 3.52 1.01 0.48 -1.35 120.40 125.78 2ati s VAL 82 Ca 0.35 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.82 2ati s VAL 82 Cb -0.16 -2.47 0.08 0.00 0.00 0.00 0.00 36.38 33.82 2ati s VAL 82 CO 0.19 0.49 -0.01 -0.31 0.00 0.00 0.00 175.10 175.46 2ati s TYR 83 N 0.62 3.45 -0.69 5.22 2.02 0.10 -0.74 117.35 127.33 2ati s TYR 83 Ca -0.05 -2.45 -0.22 0.00 -0.37 0.00 0.00 57.07 53.98 2ati s TYR 83 Cb -0.15 -2.41 0.08 0.00 -0.40 0.00 0.00 41.96 39.08 2ati s TYR 83 CO 0.03 -0.90 0.99 -0.47 -1.57 0.00 0.00 175.55 173.63 2ati s TYR 84 N 1.08 2.72 -0.35 2.71 5.04 0.05 -0.73 117.35 127.86 2ati s TYR 84 Ca -0.00 -0.65 -0.19 0.00 -2.44 0.00 0.00 57.07 53.79 2ati s TYR 84 Cb -0.20 -4.30 -0.00 0.00 0.35 0.00 0.00 41.96 37.81 2ati s TYR 84 CO -0.05 -1.64 0.57 -1.17 -1.34 0.00 0.00 175.55 171.93 2ati s LEU 85 N 3.93 4.30 -0.01 6.97 2.96 -0.64 -1.48 118.68 134.71 2ati s LEU 85 Ca 0.23 0.06 -0.06 0.00 -0.22 0.00 0.00 54.13 54.15 2ati s LEU 85 Cb -0.15 -2.68 0.00 0.00 0.50 0.00 0.00 46.19 43.86 2ati s LEU 85 CO 0.08 -0.53 0.12 -0.55 -1.32 0.00 0.00 176.35 174.14 2ati s SER 86 N 1.77 0.02 0.00 3.68 0.15 -0.80 -2.13 113.70 116.39 2ati s SER 86 Ca 0.21 -0.15 0.27 0.00 0.70 0.00 0.00 55.95 56.99 2ati s SER 86 Cb -0.15 0.21 0.88 0.00 -1.71 0.00 0.00 66.02 65.25 2ati s SER 86 CO 0.14 -0.29 1.67 0.18 1.20 0.00 0.00 173.24 176.14 2ati n LEU 87 N 1.79 0.28 -3.97 3.45 7.99 -1.26 -4.04 117.00 121.23 2ati n LEU 87 Ca -0.21 0.22 -0.21 0.00 -0.01 0.00 0.00 56.01 55.80 2ati n LEU 87 Cb 0.56 -0.36 -0.16 0.00 -0.11 0.00 0.00 43.42 43.36 2ati n LEU 87 CO 0.21 0.07 -0.44 -1.61 -1.51 0.00 0.00 177.39 174.11 2ati s GLU 88 N -2.96 1.08 -0.34 3.23 2.02 -1.26 -4.64 118.70 115.83 2ati s GLU 88 Ca 0.14 -0.27 -0.01 0.00 0.02 0.00 0.00 54.97 54.85 2ati s GLU 88 Cb 0.18 -0.99 0.13 0.00 0.10 0.00 0.00 34.13 33.55 2ati s GLU 88 CO 0.61 0.04 0.19 -0.06 0.02 0.00 0.00 175.26 176.06 2ati s PHE 89 N 0.50 0.76 -1.29 1.61 0.40 0.34 -4.58 117.98 115.71 2ati s PHE 89 Ca -0.08 -1.52 -0.13 0.00 -0.60 0.00 0.00 56.93 54.60 2ati s PHE 89 Cb -0.12 -1.01 0.14 0.00 0.51 0.00 0.00 43.02 42.54 2ati s PHE 89 CO 0.01 -0.83 1.77 0.98 0.70 0.00 0.00 175.22 177.85 2ati n TYR 90 N 4.30 3.93 0.14 0.36 9.36 -0.45 -3.29 117.16 131.52 2ati n TYR 90 Ca 0.07 -3.01 0.02 0.00 3.32 0.00 0.00 57.90 58.30 2ati n TYR 90 Cb 0.38 -2.21 0.14 0.00 -0.63 0.00 0.00 39.34 37.02 2ati n TYR 90 CO 0.00 0.00 0.00 0.52 0.22 0.00 0.00 176.86 177.60 2ati h MET 91 N 6.48 0.00 0.00 2.98 2.86 -1.72 -3.42 114.93 122.11 2ati h MET 91 Ca 0.40 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.04 2ati h MET 91 Cb 0.74 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.40 2ati h MET 91 CO 1.52 0.55 0.00 0.41 1.06 0.00 0.00 176.91 180.45 2ati n GLY 92 N 0.72 0.42 3.84 8.32 0.00 -1.12 -4.76 105.19 112.60 2ati n GLY 92 Ca 0.00 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 44.88 2ati n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ati s ARG 93 N 0.00 4.02 -0.13 1.61 0.52 -1.26 -1.64 118.95 122.07 2ati s ARG 93 Ca 0.00 0.84 0.11 0.00 -0.52 0.00 0.00 55.73 56.17 2ati s ARG 93 Cb 0.00 -2.27 -0.16 0.00 0.52 0.00 0.00 34.95 33.04 2ati s ARG 93 CO 0.00 -0.04 0.04 2.41 0.02 0.00 0.00 175.30 177.73 2ati n THR 94 N -0.92 0.90 0.01 0.02 -1.04 -1.26 -4.66 114.28 107.33 2ati n THR 94 Ca 0.05 -0.55 -0.12 0.00 -2.04 0.00 0.00 64.05 61.39 2ati n THR 94 Cb 0.54 -0.66 -0.08 0.00 -1.82 0.00 0.00 70.33 68.31 2ati n THR 94 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2ati h LEU 95 N 0.00 -1.35 -0.82 -4.42 5.85 -1.97 -0.26 115.31 112.34 2ati h LEU 95 Ca -0.36 0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 2ati h LEU 95 Cb 1.80 0.52 -0.04 0.00 0.37 0.00 0.00 40.66 43.32 2ati h LEU 95 CO 0.02 -0.40 0.46 -0.61 -0.34 0.00 0.00 178.44 177.57 2ati h GLN 96 N -0.49 1.13 -0.49 1.25 4.15 -1.97 -1.27 115.11 117.43 2ati h GLN 96 Ca 0.02 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.32 2ati h GLN 96 Cb 0.55 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 27.99 2ati h GLN 96 CO -0.32 0.82 0.31 -0.97 -1.93 0.00 0.00 178.83 176.74 2ati h ASN 97 N 1.13 0.57 -0.40 -0.69 -0.73 -1.77 -0.26 115.58 113.43 2ati h ASN 97 Ca 0.29 -0.03 -0.08 0.00 1.87 0.00 0.00 56.30 58.35 2ati h ASN 97 Cb 0.01 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 38.44 2ati h ASN 97 CO -0.05 0.43 -0.07 0.74 -0.37 0.00 0.00 177.43 178.11 2ati h THR 98 N 0.65 1.27 -0.73 -3.57 2.02 -0.82 -0.68 112.91 111.06 2ati h THR 98 Ca 0.18 -1.14 0.00 0.00 0.77 0.00 0.00 66.41 66.22 2ati h THR 98 Cb -0.05 1.19 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 2ati h THR 98 CO -0.04 0.38 0.47 0.24 0.37 0.00 0.00 175.52 176.95 2ati h MET 99 N 0.57 0.96 -0.32 6.66 2.86 -0.85 -1.48 114.93 123.33 2ati h MET 99 Ca 0.11 -0.07 -0.08 0.00 -2.06 0.00 0.00 59.70 57.60 2ati h MET 99 Cb 0.58 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 2ati h MET 99 CO 0.03 0.65 -0.13 0.82 1.06 0.00 0.00 176.91 179.35 2ati h ILE 100 N 0.99 1.29 0.00 -1.22 2.04 -0.92 0.11 117.51 119.80 2ati h ILE 100 Ca 0.26 -1.21 -0.02 0.00 1.00 0.00 0.00 64.86 64.89 2ati h ILE 100 Cb -0.09 1.40 -0.00 0.00 -0.74 0.00 0.00 36.82 37.38 2ati h ILE 100 CO -0.06 0.39 -0.09 0.78 0.00 0.00 0.00 178.15 179.18 2ati h ASN 101 N 0.42 0.00 0.01 1.72 4.21 -0.85 -2.33 115.58 118.75 2ati h ASN 101 Ca 0.08 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.59 2ati h ASN 101 Cb 0.64 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.84 2ati h ASN 101 CO 0.04 0.09 -0.24 0.18 -1.29 0.00 0.00 177.43 176.21 2ati n LEU 102 N -3.25 2.22 -1.07 1.61 4.77 -0.58 -1.40 117.00 119.29 2ati n LEU 102 Ca 0.00 -0.77 -0.10 0.00 -0.03 0.00 0.00 56.01 55.11 2ati n LEU 102 Cb 0.33 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.40 2ati n LEU 102 CO 0.29 0.39 -0.12 0.61 -1.33 0.00 0.00 177.39 177.23 2ati n GLY 103 N 1.37 0.25 0.53 -0.72 0.00 -0.74 -4.95 105.19 100.92 2ati n GLY 103 Ca 0.12 -0.48 0.07 0.00 0.00 0.00 0.00 46.02 45.73 2ati n GLY 103 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ati n LEU 104 N -1.39 2.05 -0.04 0.99 4.77 0.30 -4.75 117.00 118.94 2ati n LEU 104 Ca -0.12 -0.94 -0.08 0.00 -0.03 0.00 0.00 56.01 54.84 2ati n LEU 104 Cb 0.53 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.59 2ati n LEU 104 CO 0.14 0.38 0.81 -0.61 -1.33 0.00 0.00 177.39 176.78 2ati h GLN 105 N 2.58 -0.04 -0.71 3.23 4.15 -1.87 0.70 115.11 123.14 2ati h GLN 105 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 2ati h GLN 105 Cb 0.58 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.25 2ati h GLN 105 CO 0.00 -0.03 0.38 -0.91 -1.93 0.00 0.00 178.83 176.34 2ati h ASN 106 N -0.04 0.90 -0.50 -0.69 4.21 -1.92 0.46 115.58 118.00 2ati h ASN 106 Ca 0.10 -0.10 -0.12 0.00 1.21 0.00 0.00 56.30 57.38 2ati h ASN 106 Cb 0.20 -0.23 -0.02 0.00 -1.12 0.00 0.00 38.32 37.15 2ati h ASN 106 CO -0.23 0.75 -0.17 0.00 -1.29 0.00 0.00 177.43 176.49 2ati h ALA 107 N 1.19 0.74 -0.29 -0.83 0.00 -1.83 -2.06 119.26 116.18 2ati h ALA 107 Ca 0.25 -0.37 -0.16 0.00 0.00 0.00 0.00 54.91 54.62 2ati h ALA 107 Cb 0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2ati h ALA 107 CO -0.04 0.67 -0.46 0.00 0.00 0.00 0.00 179.25 179.42 2ati h ASP 109 N 0.62 1.07 -0.18 0.00 -0.00 -0.75 0.08 116.42 117.26 2ati h ASP 109 Ca 0.03 -0.12 -0.14 0.00 -0.00 0.00 0.00 57.03 56.81 2ati h ASP 109 Cb 1.03 -0.27 0.00 0.00 -0.00 0.00 0.00 39.33 40.09 2ati h ASP 109 CO 0.10 0.89 -0.44 -0.08 -0.00 0.00 0.00 179.24 179.71 2ati h GLU 110 N 1.18 0.61 -0.40 0.28 4.57 -1.26 -1.90 114.58 117.67 2ati h GLU 110 Ca 0.29 -0.42 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 2ati h GLU 110 Cb 0.09 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 2ati h GLU 110 CO -0.04 1.04 0.25 0.00 -1.18 0.00 0.00 179.01 179.08 2ati h ALA 111 N 0.57 0.50 -0.56 2.92 0.00 -0.78 -0.92 119.26 120.99 2ati h ALA 111 Ca -0.01 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 2ati h ALA 111 Cb 1.06 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2ati h ALA 111 CO 0.10 -0.02 -0.06 0.82 0.00 0.00 0.00 179.25 180.08 2ati h ILE 112 N 0.53 1.27 -0.48 0.00 1.08 -1.02 -2.53 117.51 116.36 2ati h ILE 112 Ca 0.14 -1.22 -0.01 0.00 -0.39 0.00 0.00 64.86 63.39 2ati h ILE 112 Cb -0.03 0.91 -0.02 0.00 -3.07 0.00 0.00 36.82 34.60 2ati h ILE 112 CO -0.03 0.43 0.26 0.22 -0.69 0.00 0.00 178.15 178.35 2ati h TYR 113 N 0.92 0.65 0.00 1.37 3.20 -1.11 -1.68 116.97 120.33 2ati h TYR 113 Ca 0.15 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 2ati h TYR 113 Cb 0.63 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.69 2ati h TYR 113 CO 0.04 0.49 -0.11 1.96 -1.64 0.00 0.00 178.16 178.90 2ati h GLN 114 N 0.63 0.00 -0.01 1.82 4.20 -0.97 -0.77 115.11 120.02 2ati h GLN 114 Ca 0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 2ati h GLN 114 Cb 0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.83 2ati h GLN 114 CO -0.03 0.11 -0.01 1.28 -0.67 0.00 0.00 178.83 179.51 2ati n LEU 115 N -3.55 0.78 0.00 1.46 4.77 -0.97 -4.91 117.00 114.58 2ati n LEU 115 Ca -0.02 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 2ati n LEU 115 Cb 0.24 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 2ati n LEU 115 CO 0.29 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 2ati n GLY 116 N 1.11 0.51 3.58 -0.72 0.00 -0.29 -5.07 105.19 104.31 2ati n GLY 116 Ca 0.21 -0.88 -0.27 0.00 0.00 0.00 0.00 46.02 45.07 2ati n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ati s LEU 117 N 0.00 2.75 -0.21 0.99 1.43 -0.67 -5.03 118.68 117.95 2ati s LEU 117 Ca 0.00 -1.36 -0.02 0.00 -1.03 0.00 0.00 54.13 51.72 2ati s LEU 117 Cb 0.00 -0.82 -0.00 0.00 0.03 0.00 0.00 46.19 45.40 2ati s LEU 117 CO 0.00 -0.46 -0.09 -0.62 0.23 0.00 0.00 176.35 175.41 2ati s ASP 118 N -3.66 3.95 0.37 2.29 3.68 -1.26 -3.67 116.67 118.37 2ati s ASP 118 Ca 0.35 -0.46 0.05 0.00 2.13 0.00 0.00 52.55 54.61 2ati s ASP 118 Cb 0.09 -1.66 0.72 0.00 -1.45 0.00 0.00 42.92 40.62 2ati s ASP 118 CO 0.17 -0.01 2.00 -0.29 0.13 0.00 0.00 175.17 177.18 2ati h ILE 119 N 5.76 1.15 -0.08 4.11 2.10 -1.90 -2.35 117.51 126.30 2ati h ILE 119 Ca -0.42 -0.35 -0.06 0.00 1.08 0.00 0.00 64.86 65.10 2ati h ILE 119 Cb 1.16 0.49 -0.01 0.00 -1.09 0.00 0.00 36.82 37.37 2ati h ILE 119 CO 0.61 0.16 -0.24 -0.33 -1.08 0.00 0.00 178.15 177.27 2ati h GLU 120 N 0.66 0.14 -0.21 2.19 5.08 -1.99 -0.80 114.58 119.66 2ati h GLU 120 Ca 0.17 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.38 2ati h GLU 120 Cb 0.01 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 2ati h GLU 120 CO -0.03 0.38 -0.31 1.49 -1.00 0.00 0.00 179.01 179.55 2ati h GLU 121 N 0.13 0.58 -0.43 2.33 4.81 -1.86 -2.66 114.58 117.48 2ati h GLU 121 Ca 0.02 -0.34 -0.08 0.00 -0.13 0.00 0.00 59.36 58.83 2ati h GLU 121 Cb 0.51 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 2ati h GLU 121 CO 0.04 0.95 -0.08 -0.07 -0.73 0.00 0.00 179.01 179.11 2ati h LEU 122 N 0.26 0.73 -1.19 1.64 3.38 -1.29 -2.86 115.31 115.98 2ati h LEU 122 Ca 0.02 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 2ati h LEU 122 Cb 0.89 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2ati h LEU 122 CO 0.07 0.85 -0.18 -0.33 0.09 0.00 0.00 178.44 178.94 2ati h GLU 123 N 0.68 0.35 0.00 1.13 5.08 -1.06 -2.86 114.58 117.90 2ati h GLU 123 Ca 0.12 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2ati h GLU 123 Cb 0.54 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2ati h GLU 123 CO 0.03 0.52 0.00 0.93 -1.00 0.00 0.00 179.01 179.49 2ati h GLU 124 N 0.32 0.00 -0.02 2.33 4.39 -1.23 -2.90 114.58 117.48 2ati h GLU 124 Ca 0.06 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.61 2ati h GLU 124 Cb 0.50 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.13 2ati h GLU 124 CO 0.03 0.00 -0.66 0.82 -1.16 0.00 0.00 179.01 178.05 2ati h ILE 125 N 0.00 1.45 -2.79 3.13 1.08 -1.57 -3.45 117.51 115.35 2ati h ILE 125 Ca 0.00 -2.20 -0.52 0.00 -0.39 0.00 0.00 64.86 61.75 2ati h ILE 125 Cb 0.36 2.17 0.04 0.00 -3.07 0.00 0.00 36.82 36.32 2ati h ILE 125 CO 0.00 0.63 0.91 -0.70 -0.69 0.00 0.00 178.15 178.30 2ati s GLU 126 N -3.57 4.20 0.30 2.37 2.12 -1.10 -4.99 118.70 118.05 2ati s GLU 126 Ca -0.02 2.38 -0.26 0.00 0.36 0.00 0.00 54.97 57.43 2ati s GLU 126 Cb 0.12 -3.20 -0.10 0.00 0.26 0.00 0.00 34.13 31.22 2ati s GLU 126 CO 0.78 -0.64 0.92 -1.21 -0.54 0.00 0.00 175.26 174.58 2ati s GLU 127 N 1.33 4.60 0.40 4.30 0.41 -1.26 -4.97 118.70 123.50 2ati s GLU 127 Ca 0.71 1.31 -0.25 0.00 -0.41 0.00 0.00 54.97 56.33 2ati s GLU 127 Cb -0.44 -2.88 -0.08 0.00 -1.78 0.00 0.00 34.13 28.95 2ati s GLU 127 CO 0.31 0.33 1.15 -0.51 -0.49 0.00 0.00 175.26 176.05 2ati s ASP 128 N -1.55 6.55 -1.19 -0.19 -0.00 -1.26 -4.66 116.67 114.36 2ati s ASP 128 Ca 0.48 2.31 -0.11 0.00 -0.00 0.00 0.00 52.55 55.23 2ati s ASP 128 Cb -0.20 -2.61 0.21 0.00 -0.00 0.00 0.00 42.92 40.32 2ati s ASP 128 CO 0.25 -0.65 1.47 0.00 -0.00 0.00 0.00 175.17 176.24 2ati n ALA 129 N 0.06 4.42 -1.41 5.23 0.00 -0.65 -4.88 120.51 123.26 2ati n ALA 129 Ca 0.04 -4.41 -0.36 0.00 0.00 0.00 0.00 53.44 48.72 2ati n ALA 129 Cb 0.47 -2.84 -0.04 0.00 0.00 0.00 0.00 19.45 17.03 2ati n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ati n GLY 130 N 3.22 4.30 2.00 0.00 0.00 -1.26 -2.21 105.19 111.24 2ati n GLY 130 Ca 0.34 -1.59 -0.21 0.00 0.00 0.00 0.00 46.02 44.55 2ati n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ati n LEU 131 N 2.99 6.69 -3.79 0.99 4.77 -1.21 -0.62 117.00 126.82 2ati n LEU 131 Ca 0.70 -3.52 -0.10 0.00 -0.03 0.00 0.00 56.01 53.07 2ati n LEU 131 Cb 0.33 -1.00 -0.05 0.00 -2.33 0.00 0.00 43.42 40.37 2ati n LEU 131 CO 0.72 1.25 0.14 -0.83 -1.33 0.00 0.00 177.39 177.34 2ati s GLY 132 N -0.44 0.05 -0.21 -0.72 0.00 -1.26 -0.51 107.32 104.24 2ati s GLY 132 Ca 0.41 -0.41 -0.07 0.00 0.00 0.00 0.00 44.72 44.64 2ati s GLY 132 CO 0.00 -0.48 0.00 0.70 0.00 0.00 0.00 173.10 173.33 2ati n ASN 133 N -0.26 2.01 0.00 1.64 3.02 -1.26 -4.50 115.26 115.91 2ati n ASN 133 Ca -0.11 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 2ati n ASN 133 Cb 0.63 -0.71 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 2ati n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ati n GLY 134 N 1.87 1.57 0.34 7.41 0.00 -1.26 -4.91 105.19 110.21 2ati n GLY 134 Ca -0.41 0.26 0.03 0.00 0.00 0.00 0.00 46.02 45.90 2ati n GLY 134 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2ati h GLY 135 N 0.00 1.41 0.96 -0.02 0.00 -1.99 -1.35 103.07 102.08 2ati h GLY 135 Ca 0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 2ati h GLY 135 CO 0.00 0.22 0.18 -2.00 0.00 0.00 0.00 176.54 174.94 2ati h LEU 136 N 0.97 0.42 -0.44 3.11 5.85 -1.99 -0.00 115.31 123.24 2ati h LEU 136 Ca 0.42 -0.10 -0.17 0.00 0.84 0.00 0.00 57.88 58.87 2ati h LEU 136 Cb 0.29 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 2ati h LEU 136 CO -0.21 0.40 -0.78 1.23 -0.34 0.00 0.00 178.44 178.73 2ati h GLY 137 N 0.41 0.04 2.00 3.75 0.00 -1.76 -3.05 103.07 104.45 2ati h GLY 137 Ca 0.12 -0.06 -0.13 0.00 0.00 0.00 0.00 47.33 47.25 2ati h GLY 137 CO -0.02 0.06 -0.63 -0.09 0.00 0.00 0.00 176.54 175.86 2ati h ARG 138 N 0.02 0.00 -0.49 4.80 9.65 -1.10 -1.15 114.38 126.11 2ati h ARG 138 Ca -0.01 0.00 -0.09 0.00 -1.10 0.00 0.00 59.98 58.77 2ati h ARG 138 Cb 1.38 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.94 2ati h ARG 138 CO 0.10 0.63 -0.06 1.25 2.80 0.00 0.00 179.97 184.70 2ati h LEU 139 N 0.00 0.89 -0.90 3.80 5.85 -0.97 -0.80 115.31 123.18 2ati h LEU 139 Ca -0.01 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 2ati h LEU 139 Cb 1.34 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 2ati h LEU 139 CO 0.08 1.02 0.52 0.00 -0.34 0.00 0.00 178.44 179.72 2ati h ALA 140 N 0.91 1.15 -0.28 1.25 0.00 -1.51 0.41 119.26 121.18 2ati h ALA 140 Ca 0.13 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 2ati h ALA 140 Cb 0.59 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2ati h ALA 140 CO 0.04 0.62 -0.11 0.00 0.00 0.00 0.00 179.25 179.80 2ati h ALA 141 N 1.28 0.39 -0.57 0.00 0.00 -1.31 -2.13 119.26 116.94 2ati h ALA 141 Ca 0.32 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2ati h ALA 141 Cb -0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2ati h ALA 141 CO -0.06 0.25 0.12 0.00 0.00 0.00 0.00 179.25 179.57 2ati h PHE 143 N 0.84 1.21 -0.59 0.00 -1.00 -0.80 -1.15 116.94 115.45 2ati h PHE 143 Ca 0.18 -0.09 -0.05 0.00 2.81 0.00 0.00 57.97 60.83 2ati h PHE 143 Cb 0.32 -0.36 -0.02 0.00 3.61 0.00 0.00 35.95 39.50 2ati h PHE 143 CO 0.02 0.91 0.18 -0.07 -1.61 0.00 0.00 178.31 177.74 2ati h LEU 144 N 1.15 0.85 -0.67 1.54 3.38 -1.11 0.70 115.31 121.16 2ati h LEU 144 Ca 0.26 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 2ati h LEU 144 Cb 0.21 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 2ati h LEU 144 CO -0.02 0.83 0.19 -0.78 0.09 0.00 0.00 178.44 178.74 2ati h ASP 145 N 0.83 1.00 -0.23 -0.43 3.58 -1.22 -2.33 116.42 117.62 2ati h ASP 145 Ca 0.19 -0.22 -0.14 0.00 0.42 0.00 0.00 57.03 57.28 2ati h ASP 145 Cb 0.28 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.07 2ati h ASP 145 CO -0.01 0.96 -0.40 0.28 -2.88 0.00 0.00 179.24 177.19 2ati h SER 146 N 0.99 0.75 -0.55 2.28 0.02 -0.91 -2.01 113.55 114.12 2ati h SER 146 Ca 0.21 -0.53 -0.04 0.00 -0.84 0.00 0.00 61.79 60.59 2ati h SER 146 Cb 0.33 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 2ati h SER 146 CO -0.00 1.14 0.20 0.24 -1.14 0.00 0.00 176.83 177.27 2ati h MET 147 N 0.39 0.88 -0.10 3.45 2.86 -0.79 -0.74 114.93 120.88 2ati h MET 147 Ca 0.01 -0.16 -0.17 0.00 -2.06 0.00 0.00 59.70 57.32 2ati h MET 147 Cb 1.00 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.51 2ati h MET 147 CO 0.09 0.75 -0.67 0.00 1.06 0.00 0.00 176.91 178.15 2ati h ALA 148 N 1.35 0.67 -0.23 6.32 0.00 -1.42 0.39 119.26 126.33 2ati h ALA 148 Ca 0.20 -0.57 -0.13 0.00 0.00 0.00 0.00 54.91 54.40 2ati h ALA 148 Cb 0.23 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2ati h ALA 148 CO -0.01 0.74 -0.41 1.15 0.00 0.00 0.00 179.25 180.72 2ati h THR 149 N 0.29 1.30 -0.01 0.00 2.02 -0.80 -2.56 112.91 113.15 2ati h THR 149 Ca -0.02 -1.58 0.00 0.00 0.77 0.00 0.00 66.41 65.58 2ati h THR 149 Cb 1.22 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 69.20 2ati h THR 149 CO 0.11 0.50 0.00 0.18 0.37 0.00 0.00 175.52 176.68 2ati n LEU 150 N -4.02 0.76 -1.89 2.58 4.77 -0.34 -4.73 117.00 114.12 2ati n LEU 150 Ca -0.02 -0.26 -0.15 0.00 -0.03 0.00 0.00 56.01 55.56 2ati n LEU 150 Cb 0.52 -0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.62 2ati n LEU 150 CO 0.45 0.13 -0.09 0.61 -1.33 0.00 0.00 177.39 177.16 2ati n GLY 151 N 1.09 -0.19 3.82 -0.72 0.00 -0.84 -1.56 105.19 106.80 2ati n GLY 151 Ca 0.21 -0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 2ati n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ati s LEU 152 N -4.44 4.15 -1.26 0.99 1.43 0.07 -4.22 118.68 115.40 2ati s LEU 152 Ca 0.10 1.48 -0.18 0.00 -1.03 0.00 0.00 54.13 54.51 2ati s LEU 152 Cb -0.05 -4.04 0.00 0.00 0.03 0.00 0.00 46.19 42.14 2ati s LEU 152 CO 0.13 -0.16 1.95 0.00 0.23 0.00 0.00 176.35 178.50 2ati n ALA 153 N -0.01 3.88 -2.50 4.21 0.00 -1.26 -4.67 120.51 120.17 2ati n ALA 153 Ca 0.02 -3.66 -0.32 0.00 0.00 0.00 0.00 53.44 49.49 2ati n ALA 153 Cb 0.52 -3.57 -0.12 0.00 0.00 0.00 0.00 19.45 16.28 2ati n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ati s ALA 154 N 5.07 2.72 -0.02 0.00 0.00 -1.26 -0.39 121.76 127.89 2ati s ALA 154 Ca 0.54 -1.09 0.03 0.00 0.00 0.00 0.00 51.96 51.45 2ati s ALA 154 Cb 0.08 -0.90 -0.00 0.00 0.00 0.00 0.00 23.12 22.29 2ati s ALA 154 CO 0.04 0.58 -0.10 0.71 0.00 0.00 0.00 175.76 176.99 2ati s TYR 155 N -0.89 0.99 -0.17 0.00 2.02 0.09 -4.02 117.35 115.37 2ati s TYR 155 Ca 0.14 -0.22 -0.10 0.00 -0.37 0.00 0.00 57.07 56.52 2ati s TYR 155 Cb -0.11 -0.67 -0.05 0.00 -0.40 0.00 0.00 41.96 40.73 2ati s TYR 155 CO 0.04 -0.07 0.16 0.20 -1.57 0.00 0.00 175.55 174.32 2ati s GLY 156 N 0.00 2.10 -0.17 0.71 0.00 -0.66 -0.77 107.32 108.54 2ati s GLY 156 Ca -0.00 -0.64 0.00 0.00 0.00 0.00 0.00 44.72 44.08 2ati s GLY 156 CO 0.00 0.04 -0.09 -0.19 0.00 0.00 0.00 173.10 172.86 2ati s TYR 157 N -0.03 1.99 0.00 1.90 1.51 -0.55 0.06 117.35 122.23 2ati s TYR 157 Ca 0.11 -1.23 0.00 0.00 -1.01 0.00 0.00 57.07 54.95 2ati s TYR 157 Cb -0.12 -1.46 0.00 0.00 -0.11 0.00 0.00 41.96 40.27 2ati s TYR 157 CO 0.01 -0.65 0.00 0.41 -1.11 0.00 0.00 175.55 174.20 2ati n GLY 158 N 4.80 4.30 3.50 0.71 0.00 -0.87 -1.91 105.19 115.71 2ati n GLY 158 Ca -0.14 -1.14 -0.33 0.00 0.00 0.00 0.00 46.02 44.41 2ati n GLY 158 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ati s ILE 159 N -1.77 3.46 -1.21 -0.61 1.01 -1.26 -1.66 121.20 119.16 2ati s ILE 159 Ca 0.00 -0.55 -0.15 0.00 0.00 0.00 0.00 60.65 59.95 2ati s ILE 159 Cb 0.00 -2.43 0.14 0.00 0.01 0.00 0.00 42.46 40.18 2ati s ILE 159 CO 0.00 0.56 1.48 -0.60 0.00 0.00 0.00 174.94 176.38 2ati s ARG 160 N -0.30 4.03 0.20 2.79 3.52 0.01 -4.76 118.95 124.44 2ati s ARG 160 Ca 0.04 -2.38 -0.31 0.00 -0.13 0.00 0.00 55.73 52.95 2ati s ARG 160 Cb -0.13 -5.16 -0.10 0.00 -1.56 0.00 0.00 34.95 28.00 2ati s ARG 160 CO 0.03 -1.88 1.51 0.71 -0.81 0.00 0.00 175.30 174.86 2ati s TYR 161 N 2.27 3.04 0.34 5.12 2.02 -1.26 -4.72 117.35 124.17 2ati s TYR 161 Ca 0.45 0.80 0.10 0.00 -0.37 0.00 0.00 57.07 58.04 2ati s TYR 161 Cb -0.01 -3.88 0.61 0.00 -0.40 0.00 0.00 41.96 38.28 2ati s TYR 161 CO 0.01 -3.09 1.78 1.49 -1.57 0.00 0.00 175.55 174.17 2ati h GLU 162 N 6.05 0.11 -4.49 -0.62 4.81 -0.80 -3.41 114.58 116.24 2ati h GLU 162 Ca -0.44 -0.05 -0.54 0.00 -0.13 0.00 0.00 59.36 58.20 2ati h GLU 162 Cb 1.21 -0.01 -0.35 0.00 0.63 0.00 0.00 28.75 30.24 2ati h GLU 162 CO 0.86 0.47 -0.82 0.71 -0.73 0.00 0.00 179.01 179.50 2ati s TYR 163 N -4.21 1.62 0.00 0.92 1.51 0.14 -4.18 117.35 113.15 2ati s TYR 163 Ca -0.04 -0.73 0.00 0.00 -1.01 0.00 0.00 57.07 55.30 2ati s TYR 163 Cb 0.14 -1.23 0.00 0.00 -0.11 0.00 0.00 41.96 40.76 2ati s TYR 163 CO 0.74 -0.42 0.00 0.41 -1.11 0.00 0.00 175.55 175.17 2ati n GLY 164 N 4.33 1.21 3.73 0.71 0.00 -1.22 -2.16 105.19 111.79 2ati n GLY 164 Ca -0.18 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.67 2ati n GLY 164 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2ati s ILE 165 N 1.44 2.08 0.55 -0.61 1.10 0.21 -4.50 121.20 121.47 2ati s ILE 165 Ca 0.00 0.06 -0.19 0.00 -0.51 0.00 0.00 60.65 60.01 2ati s ILE 165 Cb 0.00 -3.04 -0.09 0.00 0.15 0.00 0.00 42.46 39.49 2ati s ILE 165 CO 0.00 0.01 0.61 2.22 -2.11 0.00 0.00 174.94 175.67 2ati n PHE 166 N 3.47 -0.36 -2.70 3.50 -1.74 -1.26 -4.60 117.46 113.77 2ati n PHE 166 Ca 0.14 0.46 -0.42 0.00 -0.56 0.00 0.00 57.45 57.07 2ati n PHE 166 Cb 0.36 -2.00 -0.03 0.00 1.52 0.00 0.00 39.48 39.33 2ati n PHE 166 CO 0.00 0.00 0.00 -0.80 -0.56 0.00 0.00 176.76 175.40 2ati s ASN 167 N -1.13 7.33 -0.23 5.98 0.02 0.62 -4.88 114.94 122.65 2ati s ASN 167 Ca 0.69 1.64 -0.14 0.00 -1.02 0.00 0.00 52.86 54.02 2ati s ASN 167 Cb -0.46 -2.57 -0.04 0.00 0.02 0.00 0.00 41.25 38.20 2ati s ASN 167 CO 0.54 -0.31 0.32 -1.58 0.02 0.00 0.00 177.10 176.09 2ati s GLN 168 N 1.27 4.09 0.12 -0.60 0.74 -1.26 -1.35 119.66 122.68 2ati s GLN 168 Ca 0.51 0.01 0.10 0.00 0.05 0.00 0.00 55.36 56.03 2ati s GLN 168 Cb -0.21 -3.58 -0.04 0.00 1.10 0.00 0.00 33.01 30.29 2ati s GLN 168 CO 0.25 -0.08 -0.21 0.15 -0.55 0.00 0.00 175.29 174.85 2ati s LYS 169 N 1.47 1.65 -0.20 1.67 -0.14 -0.52 -3.55 119.74 120.13 2ati s LYS 169 Ca 0.14 -1.24 -0.02 0.00 -1.36 0.00 0.00 55.97 53.50 2ati s LYS 169 Cb -0.15 -2.04 0.00 0.00 -1.68 0.00 0.00 37.83 33.97 2ati s LYS 169 CO 0.08 0.47 -0.11 0.42 -0.76 0.00 0.00 175.35 175.45 2ati s ILE 170 N -1.12 2.84 -0.08 2.17 -1.09 -1.26 -0.60 121.20 122.05 2ati s ILE 170 Ca 0.17 -0.68 -0.01 0.00 -2.23 0.00 0.00 60.65 57.90 2ati s ILE 170 Cb -0.10 -2.26 0.03 0.00 -1.58 0.00 0.00 42.46 38.54 2ati s ILE 170 CO 0.09 0.46 -0.03 -0.60 -1.23 0.00 0.00 174.94 173.63 2ati s ARG 171 N 1.40 0.98 -1.69 2.79 3.52 -0.72 -4.77 118.95 120.47 2ati s ARG 171 Ca 0.05 -0.06 0.00 0.00 -0.13 0.00 0.00 55.73 55.60 2ati s ARG 171 Cb -0.14 -1.17 0.00 0.00 -1.56 0.00 0.00 34.95 32.08 2ati s ARG 171 CO -0.07 -0.25 0.00 -0.25 -0.81 0.00 0.00 175.30 173.92 2ati n ASP 172 N 4.88 -5.50 0.00 -2.12 8.00 -1.26 -2.07 116.55 118.48 2ati n ASP 172 Ca -0.12 0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.42 2ati n ASP 172 Cb 0.50 -4.56 0.00 0.00 -0.02 0.00 0.00 41.12 37.04 2ati n ASP 172 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ati n GLY 173 N -0.97 1.25 3.74 0.44 0.00 -1.26 -5.05 105.19 103.34 2ati n GLY 173 Ca -0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 2ati n GLY 173 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2ati s TRP 174 N -3.18 3.06 0.11 1.61 0.52 -0.88 -3.90 118.94 116.27 2ati s TRP 174 Ca 0.00 -0.02 -0.30 0.00 0.02 0.00 0.00 56.10 55.80 2ati s TRP 174 Cb 0.00 -1.52 -0.06 0.00 -1.15 0.00 0.00 33.47 30.74 2ati s TRP 174 CO 0.00 0.51 1.15 -1.14 0.02 0.00 0.00 176.95 177.49 2ati s GLN 175 N -2.70 4.50 -0.05 4.98 0.74 -1.26 -1.76 119.66 124.11 2ati s GLN 175 Ca 0.28 1.74 0.04 0.00 0.05 0.00 0.00 55.36 57.48 2ati s GLN 175 Cb -0.11 -3.31 0.00 0.00 1.10 0.00 0.00 33.01 30.69 2ati s GLN 175 CO 0.21 -0.11 -0.16 0.08 -0.55 0.00 0.00 175.29 174.76 2ati s VAL 176 N 0.45 1.39 -0.08 1.34 1.01 0.23 -4.94 120.40 119.80 2ati s VAL 176 Ca 0.54 -0.68 -0.13 0.00 0.00 0.00 0.00 61.98 61.72 2ati s VAL 176 Cb -0.29 -1.21 -0.05 0.00 0.00 0.00 0.00 36.38 34.83 2ati s VAL 176 CO 0.32 0.40 0.31 -1.61 0.00 0.00 0.00 175.10 174.52 2ati s GLU 177 N 0.17 3.91 -0.02 2.72 8.01 -1.26 -1.44 118.70 130.79 2ati s GLU 177 Ca -0.07 0.18 0.04 0.00 0.01 0.00 0.00 54.97 55.13 2ati s GLU 177 Cb -0.13 -3.28 -0.00 0.00 -4.31 0.00 0.00 34.13 26.41 2ati s GLU 177 CO 0.03 0.56 -0.14 -1.21 0.01 0.00 0.00 175.26 174.52 2ati s GLU 178 N -0.55 1.28 0.20 1.61 2.02 -0.45 -4.98 118.70 117.82 2ati s GLU 178 Ca 0.19 -0.48 -0.32 0.00 0.02 0.00 0.00 54.97 54.38 2ati s GLU 178 Cb -0.14 -1.18 -0.12 0.00 0.10 0.00 0.00 34.13 32.78 2ati s GLU 178 CO 0.08 0.24 1.71 0.00 0.02 0.00 0.00 175.26 177.31 2ati n ALA 179 N 3.00 2.60 -2.77 5.21 0.00 -1.26 -0.28 120.51 127.01 2ati n ALA 179 Ca -0.16 0.40 -0.43 0.00 0.00 0.00 0.00 53.44 53.25 2ati n ALA 179 Cb 0.54 -2.50 -0.01 0.00 0.00 0.00 0.00 19.45 17.48 2ati n ALA 179 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2ati s ASP 180 N 1.22 6.82 -1.52 0.00 2.15 -1.26 -4.68 116.67 119.39 2ati s ASP 180 Ca 0.76 -2.38 -0.09 0.00 0.43 0.00 0.00 52.55 51.27 2ati s ASP 180 Cb -0.53 -2.48 -0.01 0.00 -0.30 0.00 0.00 42.92 39.59 2ati s ASP 180 CO 0.33 -1.07 2.71 -0.67 -0.17 0.00 0.00 175.17 176.30 2ati n ASP 181 N 7.19 7.96 0.29 -0.34 2.03 -1.26 -3.41 116.55 129.02 2ati n ASP 181 Ca 0.37 -2.76 0.17 0.00 0.52 0.00 0.00 54.79 53.10 2ati n ASP 181 Cb 0.46 -1.52 0.89 0.00 -0.72 0.00 0.00 41.12 40.23 2ati n ASP 181 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 2ati h TRP 182 N 5.03 0.00 -0.16 -0.67 5.08 -1.91 -2.96 115.95 120.36 2ati h TRP 182 Ca 0.79 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.76 2ati h TRP 182 Cb 0.34 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.50 2ati h TRP 182 CO 1.75 0.04 0.00 1.28 -1.28 0.00 0.00 178.44 180.23 2ati n LEU 183 N -3.30 3.09 -0.22 0.11 4.77 -1.26 -4.63 117.00 115.55 2ati n LEU 183 Ca -0.02 -1.15 0.03 0.00 -0.03 0.00 0.00 56.01 54.84 2ati n LEU 183 Cb 0.20 -0.09 0.13 0.00 -2.33 0.00 0.00 43.42 41.33 2ati n LEU 183 CO 0.26 0.58 0.89 -0.09 -1.33 0.00 0.00 177.39 177.70 2ati h ARG 184 N 4.50 0.21 -0.38 3.23 2.43 -1.89 -1.83 114.38 120.65 2ati h ARG 184 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2ati h ARG 184 Cb 0.97 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 2ati h ARG 184 CO 0.00 0.14 0.00 0.66 -1.51 0.00 0.00 179.97 179.26 2ati n TYR 185 N -5.19 0.49 0.00 2.20 0.53 -1.26 -5.06 117.16 108.86 2ati n TYR 185 Ca 0.11 -0.24 0.00 0.00 -1.02 0.00 0.00 57.90 56.75 2ati n TYR 185 Cb 0.38 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.69 2ati n TYR 185 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2ati n GLY 186 N 1.44 1.70 2.90 2.72 0.00 -0.69 -5.00 105.19 108.26 2ati n GLY 186 Ca 0.19 -1.87 -0.29 0.00 0.00 0.00 0.00 46.02 44.04 2ati n GLY 186 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2ati s ASN 187 N -0.36 3.35 0.00 1.61 2.47 -1.26 -4.84 114.94 115.90 2ati s ASN 187 Ca 0.00 -0.94 0.26 0.00 0.42 0.00 0.00 52.86 52.60 2ati s ASN 187 Cb 0.00 -1.01 1.16 0.00 -1.45 0.00 0.00 41.25 39.95 2ati s ASN 187 CO 0.00 -0.22 1.84 -0.81 -3.72 0.00 0.00 177.10 174.19 2ati n PRO 188 N 4.80 0.12 -0.44 0.43 -0.04 -1.26 -3.52 135.00 135.09 2ati n PRO 188 Ca -0.12 0.05 0.08 0.00 -0.04 0.00 0.00 63.50 63.48 2ati n PRO 188 Cb 0.46 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.71 2ati n PRO 188 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2ati n TRP 189 N -1.43 1.08 -4.34 0.54 7.02 -1.26 -4.92 117.44 114.14 2ati n TRP 189 Ca 0.08 -0.46 -0.18 0.00 -1.02 0.00 0.00 57.50 55.92 2ati n TRP 189 Cb 0.27 -0.14 -0.10 0.00 -2.42 0.00 0.00 31.31 28.92 2ati n TRP 189 CO 0.00 0.00 0.00 -1.83 -2.02 0.00 0.00 177.69 173.84 2ati s GLU 190 N -1.58 1.31 -0.15 -0.99 -1.05 -1.23 -4.12 118.70 110.89 2ati s GLU 190 Ca 0.42 -1.60 -0.06 0.00 -0.15 0.00 0.00 54.97 53.57 2ati s GLU 190 Cb 0.25 -0.94 0.07 0.00 -0.44 0.00 0.00 34.13 33.07 2ati s GLU 190 CO 0.23 0.10 0.32 0.21 0.95 0.00 0.00 175.26 177.06 2ati s LYS 191 N -3.71 0.23 0.39 -4.83 2.47 -0.31 -4.94 119.74 109.04 2ati s LYS 191 Ca 0.23 0.78 -0.26 0.00 -1.56 0.00 0.00 55.97 55.16 2ati s LYS 191 Cb 0.02 0.04 -0.09 0.00 -1.46 0.00 0.00 37.83 36.34 2ati s LYS 191 CO 0.06 -0.24 1.26 -1.54 0.16 0.00 0.00 175.35 175.06 2ati s SER 192 N 2.11 6.48 -0.74 1.43 1.04 -1.26 -0.56 113.70 122.19 2ati s SER 192 Ca -0.03 2.56 0.04 0.00 0.48 0.00 0.00 55.95 59.00 2ati s SER 192 Cb -0.11 -2.63 0.18 0.00 0.10 0.00 0.00 66.02 63.55 2ati s SER 192 CO -0.10 -0.72 0.55 -0.13 0.98 0.00 0.00 173.24 173.81 2ati s ARG 193 N -2.14 2.62 0.27 4.02 1.81 0.01 -4.89 118.95 120.65 2ati s ARG 193 Ca 0.55 -3.34 0.00 0.00 -1.72 0.00 0.00 55.73 51.22 2ati s ARG 193 Cb -0.36 -3.53 0.59 0.00 -0.45 0.00 0.00 34.95 31.20 2ati s ARG 193 CO 0.47 -1.28 1.74 -1.35 -0.68 0.00 0.00 175.30 174.20 2ati h PRO 194 N 5.51 0.54 0.00 3.54 0.11 -1.94 -2.12 132.00 137.63 2ati h PRO 194 Ca 0.15 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.22 2ati h PRO 194 Cb 0.76 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.75 2ati h PRO 194 CO 0.74 0.36 0.00 1.05 -0.21 0.00 0.00 178.00 179.94 2ati h GLU 195 N 0.56 0.00 -0.47 1.05 9.09 -1.98 -2.75 114.58 120.08 2ati h GLU 195 Ca 0.49 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.90 2ati h GLU 195 Cb 0.77 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.87 2ati h GLU 195 CO -0.41 0.00 0.00 1.19 0.05 0.00 0.00 179.01 179.84 2ati n PHE 196 N -2.48 1.27 -2.06 2.06 3.72 -0.80 -4.98 117.46 114.20 2ati n PHE 196 Ca 0.00 -0.69 -0.42 0.00 -0.05 0.00 0.00 57.45 56.29 2ati n PHE 196 Cb 0.18 -0.28 -0.03 0.00 -0.94 0.00 0.00 39.48 38.41 2ati n PHE 196 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 176.76 178.12 2ati s MET 197 N -2.16 4.27 0.07 -1.08 1.75 -1.04 -4.66 119.30 116.45 2ati s MET 197 Ca 0.45 2.21 0.06 0.00 -1.25 0.00 0.00 55.69 57.16 2ati s MET 197 Cb 0.32 -3.20 -0.03 0.00 2.84 0.00 0.00 34.83 34.76 2ati s MET 197 CO 0.17 -0.51 -0.16 -0.51 -0.65 0.00 0.00 175.02 173.36 2ati s LEU 198 N 1.06 2.26 0.04 4.11 1.43 -0.61 -4.95 118.68 122.02 2ati s LEU 198 Ca 0.67 -0.60 -0.22 0.00 -1.03 0.00 0.00 54.13 52.95 2ati s LEU 198 Cb -0.40 -0.63 -0.06 0.00 0.03 0.00 0.00 46.19 45.12 2ati s LEU 198 CO 0.31 -0.01 0.65 -2.16 0.23 0.00 0.00 176.35 175.36 2ati s PRO 199 N -1.63 4.36 -0.10 1.29 0.04 -1.26 -0.05 135.00 137.65 2ati s PRO 199 Ca 0.01 0.86 0.02 0.00 0.04 0.00 0.00 61.00 61.93 2ati s PRO 199 Cb -0.10 -3.32 -0.01 0.00 0.04 0.00 0.00 34.50 31.11 2ati s PRO 199 CO 0.02 0.42 -0.18 0.08 0.04 0.00 0.00 177.00 177.39 2ati s VAL 200 N -0.44 2.66 -0.07 -0.36 1.01 0.19 -4.90 120.40 118.48 2ati s VAL 200 Ca 0.33 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 2ati s VAL 200 Cb -0.20 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 2ati s VAL 200 CO 0.20 0.55 0.11 -1.00 0.00 0.00 0.00 175.10 174.96 2ati s HIS 201 N 0.12 3.46 0.07 5.22 3.76 -1.26 -1.21 115.29 125.45 2ati s HIS 201 Ca -0.09 0.38 0.01 0.00 -0.15 0.00 0.00 55.06 55.21 2ati s HIS 201 Cb -0.15 -1.86 -0.04 0.00 1.11 0.00 0.00 32.58 31.64 2ati s HIS 201 CO 0.05 0.64 -0.06 -0.06 -0.85 0.00 0.00 174.74 174.47 2ati s PHE 202 N -1.09 0.73 0.00 1.40 0.08 0.34 -4.95 117.98 114.48 2ati s PHE 202 Ca 0.18 -0.86 0.00 0.00 0.12 0.00 0.00 56.93 56.37 2ati s PHE 202 Cb -0.12 -0.45 0.00 0.00 -0.57 0.00 0.00 43.02 41.88 2ati s PHE 202 CO 0.08 -0.20 0.00 0.66 -0.10 0.00 0.00 175.22 175.67 2ati n TYR 203 N 0.34 0.00 -4.57 0.36 4.01 -0.07 -0.38 117.16 116.86 2ati n TYR 203 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 2ati n TYR 203 Cb 0.59 0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.64 2ati n TYR 203 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2ati n GLY 204 N 0.00 -1.02 3.20 2.72 0.00 -1.25 -4.58 105.19 104.26 2ati n GLY 204 Ca 0.00 -1.14 -0.12 0.00 0.00 0.00 0.00 46.02 44.77 2ati n GLY 204 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ati s LYS 205 N 0.00 1.08 -0.10 1.61 -2.85 -0.53 -4.83 119.74 114.12 2ati s LYS 205 Ca 0.00 -1.54 -0.00 0.00 -1.00 0.00 0.00 55.97 53.43 2ati s LYS 205 Cb 0.00 0.07 -0.03 0.00 -2.06 0.00 0.00 37.83 35.82 2ati s LYS 205 CO 0.00 -0.26 -0.08 0.08 0.10 0.00 0.00 175.35 175.19 2ati s VAL 206 N -3.95 3.57 -0.09 1.79 1.01 -1.26 -1.64 120.40 119.84 2ati s VAL 206 Ca 0.29 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.79 2ati s VAL 206 Cb 0.07 -2.49 0.01 0.00 0.00 0.00 0.00 36.38 33.97 2ati s VAL 206 CO 0.06 0.56 -0.15 -1.61 0.00 0.00 0.00 175.10 173.95 2ati s GLU 207 N -0.26 2.11 -0.87 2.72 2.02 -0.35 -5.00 118.70 119.07 2ati s GLU 207 Ca 0.03 -0.54 -0.07 0.00 0.02 0.00 0.00 54.97 54.41 2ati s GLU 207 Cb -0.13 -1.73 0.22 0.00 0.10 0.00 0.00 34.13 32.59 2ati s GLU 207 CO 0.03 0.02 0.78 -1.01 0.02 0.00 0.00 175.26 175.10 2ati s HIS 208 N 0.75 3.85 0.75 1.61 3.76 -1.26 -0.05 115.29 124.68 2ati s HIS 208 Ca -0.12 -2.61 -0.08 0.00 -0.15 0.00 0.00 55.06 52.10 2ati s HIS 208 Cb -0.16 -3.53 0.16 0.00 1.11 0.00 0.00 32.58 30.17 2ati s HIS 208 CO 0.03 -0.88 1.02 0.25 -0.85 0.00 0.00 174.74 174.31 2ati n THR 209 N 3.09 0.00 1.50 1.30 -2.24 -1.05 -4.97 114.28 111.91 2ati n THR 209 Ca 0.17 -1.06 0.15 0.00 -2.27 0.00 0.00 64.05 61.04 2ati n THR 209 Cb 0.40 -1.31 0.77 0.00 -2.10 0.00 0.00 70.33 68.09 2ati n THR 209 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2ati n ASN 210 N -3.38 0.04 -0.70 3.42 6.94 -1.26 -3.01 115.26 117.30 2ati n ASN 210 Ca 0.14 -0.29 0.09 0.00 -0.02 0.00 0.00 54.58 54.49 2ati n ASN 210 Cb 0.50 -0.23 0.23 0.00 -2.36 0.00 0.00 39.78 37.92 2ati n ASN 210 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 2ati n THR 211 N -1.22 2.13 0.00 5.53 -2.24 -1.26 -5.09 114.28 112.13 2ati n THR 211 Ca 0.16 -1.90 0.00 0.00 -2.27 0.00 0.00 64.05 60.04 2ati n THR 211 Cb 0.23 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 2ati n THR 211 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ati n GLY 212 N -0.64 1.03 3.72 3.38 0.00 -1.16 -5.01 105.19 106.51 2ati n GLY 212 Ca 0.19 -2.14 -0.41 0.00 0.00 0.00 0.00 46.02 43.67 2ati n GLY 212 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ati s THR 213 N -1.38 4.92 -0.15 2.61 2.01 -1.26 -2.54 115.64 119.85 2ati s THR 213 Ca 0.00 1.75 0.00 0.00 0.31 0.00 0.00 61.69 63.76 2ati s THR 213 Cb 0.00 -4.18 -0.00 0.00 0.01 0.00 0.00 72.50 68.33 2ati s THR 213 CO 0.00 0.23 -0.15 -0.54 -0.69 0.00 0.00 174.62 173.47 2ati s LYS 214 N 0.76 3.25 -0.47 4.92 -0.14 0.92 -4.84 119.74 124.14 2ati s LYS 214 Ca 0.44 -0.74 -0.16 0.00 -1.36 0.00 0.00 55.97 54.15 2ati s LYS 214 Cb -0.20 -2.61 0.07 0.00 -1.68 0.00 0.00 37.83 33.41 2ati s LYS 214 CO 0.23 0.07 0.40 -0.46 -0.76 0.00 0.00 175.35 174.83 2ati s TRP 215 N 0.69 3.24 0.49 3.18 -0.00 -1.26 -1.21 118.94 124.06 2ati s TRP 215 Ca -0.07 -0.90 0.03 0.00 -0.00 0.00 0.00 56.10 55.15 2ati s TRP 215 Cb -0.16 -3.16 -0.03 0.00 -0.00 0.00 0.00 33.47 30.13 2ati s TRP 215 CO 0.02 -0.79 0.02 0.96 -0.00 0.00 0.00 176.95 177.16 2ati s ILE 216 N 1.67 1.39 -1.36 5.86 -4.36 -0.65 -4.82 121.20 118.93 2ati s ILE 216 Ca 0.04 -1.97 -0.08 0.00 -0.26 0.00 0.00 60.65 58.38 2ati s ILE 216 Cb -0.24 -2.37 0.05 0.00 1.25 0.00 0.00 42.46 41.16 2ati s ILE 216 CO 0.07 0.00 0.53 0.47 0.24 0.00 0.00 174.94 176.25 2ati n ASP 217 N -1.22 -4.41 -4.90 4.36 8.00 -1.26 -1.46 116.55 115.66 2ati n ASP 217 Ca -0.15 -0.36 -0.29 0.00 0.71 0.00 0.00 54.79 54.70 2ati n ASP 217 Cb 0.67 -3.62 0.03 0.00 -0.02 0.00 0.00 41.12 38.18 2ati n ASP 217 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2ati s THR 218 N -3.00 3.92 -0.21 -3.53 -4.23 -1.26 -3.88 115.64 103.44 2ati s THR 218 Ca 0.37 0.32 -0.10 0.00 -1.18 0.00 0.00 61.69 61.10 2ati s THR 218 Cb -0.19 -3.58 -0.05 0.00 1.34 0.00 0.00 72.50 70.03 2ati s THR 218 CO 0.46 -0.67 0.13 -1.10 -0.54 0.00 0.00 174.62 172.90 2ati s GLN 219 N -5.11 4.09 -0.11 3.99 -1.52 0.49 -4.90 119.66 116.59 2ati s GLN 219 Ca 0.55 -0.27 -0.05 0.00 -1.95 0.00 0.00 55.36 53.64 2ati s GLN 219 Cb -0.11 -3.43 -0.04 0.00 -0.22 0.00 0.00 33.01 29.22 2ati s GLN 219 CO 0.49 0.19 0.08 0.08 -0.25 0.00 0.00 175.29 175.88 2ati s VAL 220 N 0.65 5.02 -0.06 1.09 1.01 -1.26 -0.50 120.40 126.35 2ati s VAL 220 Ca 0.07 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.08 2ati s VAL 220 Cb -0.12 -3.16 0.02 0.00 0.00 0.00 0.00 36.38 33.11 2ati s VAL 220 CO 0.01 0.60 -0.06 -0.69 0.00 0.00 0.00 175.10 174.96 2ati s VAL 221 N -0.89 0.70 0.34 2.92 1.01 -0.35 -4.49 120.40 119.64 2ati s VAL 221 Ca 0.14 -0.20 -0.21 0.00 0.00 0.00 0.00 61.98 61.71 2ati s VAL 221 Cb -0.12 -0.71 -0.10 0.00 0.00 0.00 0.00 36.38 35.46 2ati s VAL 221 CO 0.03 0.27 0.88 -0.76 0.00 0.00 0.00 175.10 175.51 2ati s LEU 222 N 1.01 4.16 -0.28 3.92 1.02 0.52 -0.63 118.68 128.40 2ati s LEU 222 Ca -0.09 1.63 0.01 0.00 0.02 0.00 0.00 54.13 55.69 2ati s LEU 222 Cb -0.14 -4.13 0.06 0.00 0.02 0.00 0.00 46.19 41.99 2ati s LEU 222 CO -0.00 -0.17 -0.06 0.00 0.02 0.00 0.00 176.35 176.13 2ati s ALA 223 N -1.85 2.67 -0.32 4.21 0.00 0.93 -1.22 121.76 126.18 2ati s ALA 223 Ca 0.54 -1.77 -0.12 0.00 0.00 0.00 0.00 51.96 50.60 2ati s ALA 223 Cb -0.14 -1.73 -0.02 0.00 0.00 0.00 0.00 23.12 21.23 2ati s ALA 223 CO 0.19 -1.23 0.22 -1.17 0.00 0.00 0.00 175.76 173.76 2ati s LEU 224 N 1.16 4.35 0.20 0.00 2.96 -0.19 -1.57 118.68 125.60 2ati s LEU 224 Ca -0.07 -0.34 -0.26 0.00 -0.22 0.00 0.00 54.13 53.25 2ati s LEU 224 Cb -0.20 -2.12 -0.08 0.00 0.50 0.00 0.00 46.19 44.29 2ati s LEU 224 CO -0.03 -0.19 0.82 -2.16 -1.32 0.00 0.00 176.35 173.47 2ati s PRO 225 N 1.72 4.58 -0.12 0.98 0.04 -1.26 -0.76 135.00 140.18 2ati s PRO 225 Ca 0.06 1.20 0.02 0.00 0.04 0.00 0.00 61.00 62.32 2ati s PRO 225 Cb -0.17 -3.17 0.02 0.00 0.04 0.00 0.00 34.50 31.22 2ati s PRO 225 CO 0.10 0.51 -0.16 0.71 0.04 0.00 0.00 177.00 178.20 2ati s TYR 226 N -1.25 2.06 -0.11 0.56 2.02 0.42 -0.81 117.35 120.24 2ati s TYR 226 Ca 0.39 -1.01 -0.12 0.00 -0.37 0.00 0.00 57.07 55.96 2ati s TYR 226 Cb -0.22 -1.48 -0.05 0.00 -0.40 0.00 0.00 41.96 39.80 2ati s TYR 226 CO 0.26 -0.52 0.28 -0.51 -1.57 0.00 0.00 175.55 173.50 2ati s ASP 227 N 1.06 6.52 -0.06 2.29 -0.00 0.27 -0.87 116.67 125.87 2ati s ASP 227 Ca -0.05 0.61 0.04 0.00 -0.00 0.00 0.00 52.55 53.16 2ati s ASP 227 Cb -0.15 -2.17 -0.00 0.00 -0.00 0.00 0.00 42.92 40.60 2ati s ASP 227 CO -0.03 0.23 -0.20 -0.89 -0.00 0.00 0.00 175.17 174.28 2ati s THR 228 N -0.27 1.68 0.21 -1.27 2.01 0.05 -1.16 115.64 116.89 2ati s THR 228 Ca 0.18 -0.83 -0.30 0.00 0.31 0.00 0.00 61.69 61.05 2ati s THR 228 Cb -0.14 -1.45 -0.08 0.00 0.01 0.00 0.00 72.50 70.84 2ati s THR 228 CO 0.06 0.48 1.18 -2.16 -0.69 0.00 0.00 174.62 173.49 2ati s PRO 229 N 0.16 4.51 -0.53 4.92 0.04 -1.26 -1.20 135.00 141.63 2ati s PRO 229 Ca -0.09 1.88 0.03 0.00 0.04 0.00 0.00 61.00 62.86 2ati s PRO 229 Cb -0.14 -3.22 0.13 0.00 0.04 0.00 0.00 34.50 31.31 2ati s PRO 229 CO 0.04 -0.04 0.29 0.08 0.04 0.00 0.00 177.00 177.41 2ati s VAL 230 N -0.32 2.78 0.14 -0.36 1.01 0.10 -4.90 120.40 118.85 2ati s VAL 230 Ca 0.51 -3.25 -0.30 0.00 0.00 0.00 0.00 61.98 58.94 2ati s VAL 230 Cb -0.33 -2.91 -0.07 0.00 0.00 0.00 0.00 36.38 33.07 2ati s VAL 230 CO 0.38 -0.81 1.21 -2.16 0.00 0.00 0.00 175.10 173.72 2ati s PRO 231 N -0.24 4.47 0.62 2.72 0.04 -1.26 -1.00 135.00 140.35 2ati s PRO 231 Ca 0.17 1.85 -0.13 0.00 0.04 0.00 0.00 61.00 62.93 2ati s PRO 231 Cb -0.25 -3.27 -0.03 0.00 0.04 0.00 0.00 34.50 30.99 2ati s PRO 231 CO -0.01 -0.16 1.04 0.20 0.04 0.00 0.00 177.00 178.11 2ati s GLY 232 N 0.46 1.83 -0.21 0.56 0.00 -0.14 -4.77 107.32 105.06 2ati s GLY 232 Ca 0.55 0.12 -0.29 0.00 0.00 0.00 0.00 44.72 45.10 2ati s GLY 232 CO 0.34 0.42 1.23 -0.47 0.00 0.00 0.00 173.10 174.62 2ati s TYR 233 N -2.88 2.89 -1.42 1.90 5.04 -1.26 -4.22 117.35 117.40 2ati s TYR 233 Ca 0.59 1.05 -0.09 0.00 -2.44 0.00 0.00 57.07 56.18 2ati s TYR 233 Cb -0.13 -3.55 0.01 0.00 0.35 0.00 0.00 41.96 38.64 2ati s TYR 233 CO 0.47 -1.50 0.29 -1.33 -1.34 0.00 0.00 175.55 172.13 2ati n MET 234 N 6.71 -1.30 -1.90 4.97 2.81 -0.49 -4.92 117.12 123.00 2ati n MET 234 Ca 0.14 0.17 -0.01 0.00 -1.81 0.00 0.00 57.70 56.19 2ati n MET 234 Cb 0.45 -3.58 -0.00 0.00 -0.71 0.00 0.00 33.22 29.38 2ati n MET 234 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 2ati n ASN 235 N -2.73 -0.04 -1.10 7.83 0.23 -1.26 -5.05 115.26 113.14 2ati n ASN 235 Ca -0.26 -1.07 0.11 0.00 -0.53 0.00 0.00 54.58 52.83 2ati n ASN 235 Cb 0.66 0.07 0.26 0.00 -2.08 0.00 0.00 39.78 38.69 2ati n ASN 235 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2ati n ASN 236 N -2.60 3.25 -4.74 0.53 3.02 -1.26 -4.90 115.26 108.56 2ati n ASN 236 Ca 0.00 -1.96 -0.37 0.00 -0.03 0.00 0.00 54.58 52.22 2ati n ASN 236 Cb 0.02 -0.29 -0.07 0.00 -0.61 0.00 0.00 39.78 38.84 2ati n ASN 236 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2ati s THR 237 N -1.43 5.29 -0.21 3.41 2.01 -1.26 -4.73 115.64 118.73 2ati s THR 237 Ca 0.39 0.57 -0.04 0.00 0.31 0.00 0.00 61.69 62.92 2ati s THR 237 Cb 0.22 -3.64 0.07 0.00 0.01 0.00 0.00 72.50 69.17 2ati s THR 237 CO 0.31 0.41 0.08 -0.69 -0.69 0.00 0.00 174.62 174.03 2ati s VAL 238 N 0.31 0.16 0.68 3.82 1.01 -1.26 -0.96 120.40 124.16 2ati s VAL 238 Ca 0.17 -0.45 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 2ati s VAL 238 Cb -0.13 -0.84 0.14 0.00 0.00 0.00 0.00 36.38 35.54 2ati s VAL 238 CO 0.05 -0.36 0.93 0.59 0.00 0.00 0.00 175.10 176.31 2ati n ASN 239 N 5.18 0.98 -4.33 3.32 3.02 -0.17 -4.66 115.26 118.59 2ati n ASN 239 Ca -0.07 -1.89 -0.31 0.00 -0.03 0.00 0.00 54.58 52.28 2ati n ASN 239 Cb 0.47 -0.63 -0.16 0.00 -0.61 0.00 0.00 39.78 38.86 2ati n ASN 239 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2ati s THR 240 N -2.83 2.16 -0.29 3.41 2.01 -1.26 -0.72 115.64 118.12 2ati s THR 240 Ca 0.59 -1.10 -0.02 0.00 0.31 0.00 0.00 61.69 61.47 2ati s THR 240 Cb -0.03 -1.76 0.04 0.00 0.01 0.00 0.00 72.50 70.76 2ati s THR 240 CO 0.40 0.56 -0.01 -0.32 -0.69 0.00 0.00 174.62 174.55 2ati s MET 241 N -0.69 2.54 -0.37 4.92 1.75 -0.34 -1.66 119.30 125.45 2ati s MET 241 Ca 0.10 -1.19 -0.13 0.00 -1.25 0.00 0.00 55.69 53.23 2ati s MET 241 Cb -0.10 -3.14 0.01 0.00 2.84 0.00 0.00 34.83 34.43 2ati s MET 241 CO -0.01 -0.56 0.24 0.50 -0.65 0.00 0.00 175.02 174.54 2ati s ARG 242 N 1.28 3.17 -0.14 4.11 3.52 0.11 -0.77 118.95 130.22 2ati s ARG 242 Ca -0.04 -0.86 -0.03 0.00 -0.13 0.00 0.00 55.73 54.67 2ati s ARG 242 Cb -0.19 -3.82 -0.03 0.00 -1.56 0.00 0.00 34.95 29.36 2ati s ARG 242 CO -0.02 -0.59 -0.06 -0.51 -0.81 0.00 0.00 175.30 173.31 2ati s LEU 243 N 1.66 3.14 -0.00 -0.88 1.43 -0.05 -2.06 118.68 121.92 2ati s LEU 243 Ca 0.05 -0.16 -0.13 0.00 -1.03 0.00 0.00 54.13 52.86 2ati s LEU 243 Cb -0.18 -1.74 -0.05 0.00 0.03 0.00 0.00 46.19 44.24 2ati s LEU 243 CO 0.09 0.19 0.37 0.26 0.23 0.00 0.00 176.35 177.49 2ati s TRP 244 N 0.24 3.69 -0.05 0.29 0.52 -0.66 -0.43 118.94 122.54 2ati s TRP 244 Ca -0.04 0.90 0.06 0.00 0.02 0.00 0.00 56.10 57.04 2ati s TRP 244 Cb -0.14 -2.22 -0.01 0.00 -1.15 0.00 0.00 33.47 29.95 2ati s TRP 244 CO 0.03 0.64 -0.25 -1.12 0.02 0.00 0.00 176.95 176.28 2ati s SER 245 N -1.18 2.98 0.01 2.95 0.01 0.06 -0.81 113.70 117.70 2ati s SER 245 Ca 0.24 -0.49 -0.28 0.00 1.31 0.00 0.00 55.95 56.74 2ati s SER 245 Cb -0.16 -0.70 -0.04 0.00 0.21 0.00 0.00 66.02 65.33 2ati s SER 245 CO 0.13 0.25 0.88 0.00 0.41 0.00 0.00 173.24 174.91 2ati s ALA 246 N -0.25 3.24 0.03 1.44 0.00 -1.26 -1.02 121.76 123.94 2ati s ALA 246 Ca -0.01 0.41 0.03 0.00 0.00 0.00 0.00 51.96 52.39 2ati s ALA 246 Cb -0.13 -3.19 -0.02 0.00 0.00 0.00 0.00 23.12 19.79 2ati s ALA 246 CO 0.02 -0.13 -0.09 1.03 0.00 0.00 0.00 175.76 176.60 2ati s ARG 247 N 0.65 0.60 0.36 0.00 1.81 -0.36 -4.51 118.95 117.50 2ati s ARG 247 Ca 0.46 -0.58 -0.23 0.00 -1.72 0.00 0.00 55.73 53.65 2ati s ARG 247 Cb -0.20 -0.50 -0.10 0.00 -0.45 0.00 0.00 34.95 33.70 2ati s ARG 247 CO 0.25 0.12 0.93 0.00 -0.68 0.00 0.00 175.30 175.91 2ati s ALA 248 N -0.85 3.16 0.04 2.13 0.00 -1.26 -0.35 121.76 124.62 2ati s ALA 248 Ca -0.03 0.44 -0.22 0.00 0.00 0.00 0.00 51.96 52.15 2ati s ALA 248 Cb -0.07 -3.13 -0.14 0.00 0.00 0.00 0.00 23.12 19.77 2ati s ALA 248 CO 0.00 0.17 1.41 -1.35 0.00 0.00 0.00 175.76 176.00 2ati h PRO 249 N 2.66 0.24 0.00 0.00 0.11 -1.96 -3.45 132.00 129.61 2ati h PRO 249 Ca -0.48 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.54 2ati h PRO 249 Cb 1.19 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2ati h PRO 249 CO 0.63 0.56 0.00 -3.47 -0.21 0.00 0.00 178.00 175.51 2ati n ASP 261 N -4.72 0.00 0.10 -2.05 -0.08 -1.26 -5.11 116.55 103.42 2ati n ASP 261 Ca -0.06 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.09 2ati n ASP 261 Cb 0.26 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.64 2ati n ASP 261 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 2ati h TYR 262 N 0.01 -0.17 -0.47 -0.67 3.20 -2.06 -2.19 116.97 114.62 2ati h TYR 262 Ca 0.00 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.92 2ati h TYR 262 Cb 0.00 0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.28 2ati h TYR 262 CO 0.00 -0.05 0.21 0.82 -1.64 0.00 0.00 178.16 177.50 2ati h ILE 263 N -0.25 0.90 -0.55 1.81 1.08 -2.05 -2.05 117.51 116.40 2ati h ILE 263 Ca -0.02 -0.14 -0.04 0.00 -0.39 0.00 0.00 64.86 64.27 2ati h ILE 263 Cb 0.20 0.46 -0.03 0.00 -3.07 0.00 0.00 36.82 34.38 2ati h ILE 263 CO 0.03 0.07 0.16 -0.61 -0.69 0.00 0.00 178.15 177.12 2ati h GLN 264 N 0.41 0.83 -0.69 2.37 5.75 -1.98 -0.99 115.11 120.81 2ati h GLN 264 Ca 0.22 -0.15 -0.02 0.00 -0.15 0.00 0.00 58.65 58.54 2ati h GLN 264 Cb 0.17 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.56 2ati h GLN 264 CO -0.19 0.72 0.35 0.00 -2.65 0.00 0.00 178.83 177.07 2ati h ALA 265 N 1.37 0.89 -0.41 3.38 0.00 -0.82 0.35 119.26 124.02 2ati h ALA 265 Ca 0.18 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 2ati h ALA 265 Cb 0.25 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2ati h ALA 265 CO -0.01 0.45 -0.20 0.28 0.00 0.00 0.00 179.25 179.77 2ati h VAL 266 N 0.96 1.28 -0.23 0.00 2.07 -0.91 -2.93 116.25 116.48 2ati h VAL 266 Ca 0.24 -1.34 -0.10 0.00 0.82 0.00 0.00 66.70 66.32 2ati h VAL 266 Cb 0.10 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 2ati h VAL 266 CO -0.03 0.45 -0.29 -0.07 0.02 0.00 0.00 177.57 177.65 2ati h LEU 267 N 0.67 0.47 0.00 2.57 3.38 -0.74 -2.50 115.31 119.17 2ati h LEU 267 Ca 0.09 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2ati h LEU 267 Cb 0.76 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2ati h LEU 267 CO 0.06 0.75 0.00 0.47 0.09 0.00 0.00 178.44 179.81 2ati n ASP 268 N -4.10 0.00 0.15 -0.43 8.00 0.12 -1.73 116.55 118.57 2ati n ASP 268 Ca -0.01 0.27 0.13 0.00 0.71 0.00 0.00 54.79 55.89 2ati n ASP 268 Cb 0.43 -0.36 0.53 0.00 -0.02 0.00 0.00 41.12 41.70 2ati n ASP 268 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2ati h ARG 269 N 0.00 0.00 -0.03 -1.24 3.08 -1.42 -2.45 114.38 112.31 2ati h ARG 269 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 2ati h ARG 269 Cb 0.11 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2ati h ARG 269 CO 0.00 0.00 -0.32 -0.91 -1.07 0.00 0.00 179.97 177.67 2ati h ASN 270 N 0.00 0.06 -0.64 7.04 -0.26 -1.55 -2.99 115.58 117.24 2ati h ASN 270 Ca 0.00 -0.02 -0.02 0.00 -0.56 0.00 0.00 56.30 55.70 2ati h ASN 270 Cb 0.34 -0.02 -0.03 0.00 -1.06 0.00 0.00 38.32 37.56 2ati h ASN 270 CO 0.00 0.38 0.33 -0.07 -1.06 0.00 0.00 177.43 177.01 2ati h LEU 271 N 0.06 0.84 -0.02 1.61 3.38 -1.67 0.73 115.31 120.24 2ati h LEU 271 Ca 0.01 -0.08 -0.24 0.00 0.09 0.00 0.00 57.88 57.66 2ati h LEU 271 Cb 0.60 -0.22 0.02 0.00 0.09 0.00 0.00 40.66 41.15 2ati h LEU 271 CO 0.04 0.71 -0.92 0.00 0.09 0.00 0.00 178.44 178.36 2ati h ALA 272 N 1.43 0.13 0.00 1.53 0.00 -1.71 -3.20 119.26 117.43 2ati h ALA 272 Ca 0.23 -0.66 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 2ati h ALA 272 Cb 0.08 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2ati h ALA 272 CO -0.03 0.61 -0.10 0.93 0.00 0.00 0.00 179.25 180.66 2ati h GLU 273 N 0.30 0.00 0.00 0.00 5.08 -1.35 -3.06 114.58 115.56 2ati h GLU 273 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2ati h GLU 273 Cb 1.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.83 2ati h GLU 273 CO 0.18 0.10 0.00 -0.91 -1.00 0.00 0.00 179.01 177.38 2ati h ASN 274 N 0.00 0.00 -0.66 1.42 2.35 -0.85 -2.87 115.58 114.97 2ati h ASN 274 Ca -0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 2ati h ASN 274 Cb 0.52 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.86 2ati h ASN 274 CO 0.01 0.00 0.22 0.40 -1.65 0.00 0.00 177.43 176.42 2ati h ILE 275 N 0.00 1.25 -0.45 2.81 2.04 -1.71 -2.71 117.51 118.73 2ati h ILE 275 Ca 0.00 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.02 2ati h ILE 275 Cb 0.13 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 2ati h ILE 275 CO 0.00 0.33 0.00 -1.54 0.00 0.00 0.00 178.15 176.94 2ati n SER 276 N -4.27 5.01 -0.02 1.72 3.41 -1.09 -4.69 113.62 113.69 2ati n SER 276 Ca 0.06 -2.96 -0.13 0.00 -0.26 0.00 0.00 58.87 55.58 2ati n SER 276 Cb 0.21 -0.63 -0.10 0.00 -0.26 0.00 0.00 64.21 63.43 2ati n SER 276 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2ati h ARG 277 N 3.14 0.03 -3.33 4.33 9.65 -1.51 -2.00 114.38 124.70 2ati h ARG 277 Ca 0.00 -0.02 -0.15 0.00 -1.10 0.00 0.00 59.98 58.71 2ati h ARG 277 Cb 1.77 0.00 -0.23 0.00 -1.39 0.00 0.00 29.97 30.12 2ati h ARG 277 CO 0.38 0.57 -0.46 0.54 2.80 0.00 0.00 179.97 183.81 2ati s VAL 278 N -4.02 0.04 0.15 0.20 0.11 -1.26 -0.68 120.40 114.95 2ati s VAL 278 Ca -0.16 -0.37 -0.30 0.00 -2.93 0.00 0.00 61.98 58.22 2ati s VAL 278 Cb 0.01 -0.40 -0.07 0.00 -1.53 0.00 0.00 36.38 34.40 2ati s VAL 278 CO 0.68 -0.20 1.05 -0.22 -3.33 0.00 0.00 175.10 173.08 2ati s LEU 279 N -0.74 4.49 -0.27 2.54 2.96 -0.92 -4.99 118.68 121.75 2ati s LEU 279 Ca -0.08 1.98 -0.29 0.00 -0.22 0.00 0.00 54.13 55.52 2ati s LEU 279 Cb -0.05 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 43.04 2ati s LEU 279 CO 0.01 -0.17 1.42 -0.31 -1.32 0.00 0.00 176.35 175.98 2ati s TYR 280 N -0.12 2.47 -0.28 5.38 2.02 -1.26 -4.82 117.35 120.74 2ati s TYR 280 Ca 0.49 0.75 0.00 0.00 -0.37 0.00 0.00 57.07 57.93 2ati s TYR 280 Cb -0.27 -3.93 0.00 0.00 -0.40 0.00 0.00 41.96 37.36 2ati s TYR 280 CO 0.33 -2.18 0.44 -0.35 -1.57 0.00 0.00 175.55 172.22 2ati n PRO 281 N 7.43 0.52 -3.30 -1.71 -0.04 -1.26 -4.84 135.00 131.80 2ati n PRO 281 Ca 0.16 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.23 2ati n PRO 281 Cb 0.46 -1.25 -0.08 0.00 -0.04 0.00 0.00 33.50 32.59 2ati n PRO 281 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2ati s ASN 282 N 0.58 6.39 -0.26 3.54 0.01 -1.26 -4.49 114.94 119.45 2ati s ASN 282 Ca 0.00 0.47 -0.04 0.00 -0.71 0.00 0.00 52.86 52.58 2ati s ASN 282 Cb 0.00 -2.26 0.01 0.00 0.41 0.00 0.00 41.25 39.42 2ati s ASN 282 CO 0.00 -0.22 -0.01 -0.62 -1.51 0.00 0.00 177.10 174.74 2ati s ASP 283 N 1.48 4.59 -1.45 -1.22 -1.08 -1.26 -4.60 116.67 113.13 2ati s ASP 283 Ca 0.19 -0.68 -0.08 0.00 -0.52 0.00 0.00 52.55 51.46 2ati s ASP 283 Cb -0.16 -1.76 0.02 0.00 -1.46 0.00 0.00 42.92 39.57 2ati s ASP 283 CO 0.09 -0.12 0.92 0.59 0.52 0.00 0.00 175.17 177.18 2ati n ASN 284 N 4.77 -5.92 -3.73 -0.34 3.02 -1.26 -5.00 115.26 106.80 2ati n ASN 284 Ca -0.16 -0.48 -0.12 0.00 -0.03 0.00 0.00 54.58 53.78 2ati n ASN 284 Cb 0.48 -4.72 -0.12 0.00 -0.61 0.00 0.00 39.78 34.82 2ati n ASN 284 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2ati s PHE 285 N -3.25 -0.43 -0.28 3.10 5.36 -1.26 -4.20 117.98 117.03 2ati s PHE 285 Ca 0.50 0.98 -0.12 0.00 -0.96 0.00 0.00 56.93 57.34 2ati s PHE 285 Cb -0.23 0.15 -0.05 0.00 -0.34 0.00 0.00 43.02 42.55 2ati s PHE 285 CO 0.61 -0.25 0.21 0.12 -1.46 0.00 0.00 175.22 174.46 2ati s PHE 286 N 0.91 3.22 -0.23 10.12 5.36 0.06 -4.84 117.98 132.59 2ati s PHE 286 Ca -0.06 0.15 0.01 0.00 -0.96 0.00 0.00 56.93 56.07 2ati s PHE 286 Cb -0.07 -2.41 0.04 0.00 -0.34 0.00 0.00 43.02 40.24 2ati s PHE 286 CO -0.07 -0.17 -0.13 -2.00 -1.46 0.00 0.00 175.22 171.40 2ati s GLU 287 N 1.80 2.68 0.00 10.12 2.12 -1.26 -4.96 118.70 129.20 2ati s GLU 287 Ca 0.08 -1.06 -0.04 0.00 0.36 0.00 0.00 54.97 54.31 2ati s GLU 287 Cb -0.16 -2.81 -0.18 0.00 0.26 0.00 0.00 34.13 31.24 2ati s GLU 287 CO 0.11 -0.39 3.07 0.41 -0.54 0.00 0.00 175.26 177.91 2ati n GLY 288 N 4.57 2.80 3.75 -1.50 0.00 -1.26 -4.95 105.19 108.60 2ati n GLY 288 Ca -0.17 -0.82 -0.40 0.00 0.00 0.00 0.00 46.02 44.63 2ati n GLY 288 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ati s LYS 289 N 0.73 4.78 0.35 1.61 -0.14 -1.26 -4.97 119.74 120.84 2ati s LYS 289 Ca 0.45 1.54 0.05 0.00 -1.36 0.00 0.00 55.97 56.65 2ati s LYS 289 Cb 0.22 -3.29 0.71 0.00 -1.68 0.00 0.00 37.83 33.79 2ati s LYS 289 CO 0.00 0.39 1.93 1.49 -0.76 0.00 0.00 175.35 178.40 2ati h GLU 290 N 4.45 0.78 -0.39 1.68 4.81 -2.01 -2.25 114.58 121.66 2ati h GLU 290 Ca -0.45 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 58.70 2ati h GLU 290 Cb 1.20 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.39 2ati h GLU 290 CO 0.69 0.52 0.08 1.25 -0.73 0.00 0.00 179.01 180.82 2ati h LEU 291 N 0.81 0.53 -0.68 1.64 5.85 -1.99 -1.62 115.31 119.84 2ati h LEU 291 Ca 0.36 -0.08 -0.11 0.00 0.84 0.00 0.00 57.88 58.89 2ati h LEU 291 Cb 0.34 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 2ati h LEU 291 CO -0.13 0.55 -0.17 -0.09 -0.34 0.00 0.00 178.44 178.26 2ati h ARG 292 N 0.57 0.85 -0.25 1.25 9.65 -1.78 -1.71 114.38 122.95 2ati h ARG 292 Ca 0.13 -0.32 -0.10 0.00 -1.10 0.00 0.00 59.98 58.59 2ati h ARG 292 Cb 0.24 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.76 2ati h ARG 292 CO -0.00 0.95 -0.29 1.25 2.80 0.00 0.00 179.97 184.69 2ati h LEU 293 N 0.75 0.52 -0.67 3.80 5.85 -1.32 -1.24 115.31 122.99 2ati h LEU 293 Ca 0.11 -0.19 -0.08 0.00 0.84 0.00 0.00 57.88 58.57 2ati h LEU 293 Cb 0.69 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 2ati h LEU 293 CO 0.05 0.78 0.11 0.11 -0.34 0.00 0.00 178.44 179.15 2ati h LYS 294 N 0.44 1.11 -0.42 1.25 1.57 -0.99 -1.83 116.57 117.70 2ati h LYS 294 Ca 0.06 -0.30 -0.05 0.00 -1.87 0.00 0.00 60.65 58.50 2ati h LYS 294 Cb 0.72 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 2ati h LYS 294 CO 0.06 1.01 0.08 1.96 -0.57 0.00 0.00 179.45 181.99 2ati h GLN 295 N 1.03 0.68 -0.77 3.15 4.20 -0.87 0.83 115.11 123.36 2ati h GLN 295 Ca 0.20 -0.17 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 2ati h GLN 295 Cb 0.44 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 2ati h GLN 295 CO 0.01 0.71 0.34 0.93 -0.67 0.00 0.00 178.83 180.15 2ati h GLU 296 N 0.54 1.13 -0.04 1.46 5.08 -1.09 -2.06 114.58 119.59 2ati h GLU 296 Ca 0.13 -0.19 -0.25 0.00 -1.00 0.00 0.00 59.36 58.05 2ati h GLU 296 Cb 0.35 -0.19 0.02 0.00 0.50 0.00 0.00 28.75 29.42 2ati h GLU 296 CO 0.01 0.90 -0.97 -0.92 -1.00 0.00 0.00 179.01 177.02 2ati h TYR 297 N 1.09 1.04 -0.22 4.33 3.20 -1.19 -3.01 116.97 122.22 2ati h TYR 297 Ca 0.26 -0.54 0.06 0.00 3.14 0.00 0.00 58.73 61.65 2ati h TYR 297 Cb 0.17 -0.13 -0.06 0.00 1.54 0.00 0.00 36.73 38.25 2ati h TYR 297 CO 0.01 1.37 -0.17 0.35 -1.64 0.00 0.00 178.16 178.08 2ati h PHE 298 N 0.43 -0.44 -0.67 -3.82 3.57 -0.60 0.94 116.94 116.34 2ati h PHE 298 Ca -0.11 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.35 2ati h PHE 298 Cb 1.62 0.23 -0.03 0.00 2.79 0.00 0.00 35.95 40.56 2ati h PHE 298 CO 0.10 -0.25 0.15 -0.24 -2.23 0.00 0.00 178.31 175.84 2ati h VAL 299 N -0.17 1.26 -0.03 1.41 3.04 -1.47 -2.46 116.25 117.83 2ati h VAL 299 Ca 0.13 -0.97 -0.00 0.00 -1.01 0.00 0.00 66.70 64.85 2ati h VAL 299 Cb 0.37 0.60 -0.00 0.00 -2.01 0.00 0.00 31.29 30.24 2ati h VAL 299 CO -0.33 0.37 0.01 0.58 -1.01 0.00 0.00 177.57 177.19 2ati h VAL 300 N 1.01 1.19 -0.02 1.51 2.07 -1.33 -1.30 116.25 119.37 2ati h VAL 300 Ca 0.21 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 2ati h VAL 300 Cb 0.38 1.52 -0.00 0.00 -1.52 0.00 0.00 31.29 31.67 2ati h VAL 300 CO 0.00 0.15 0.01 0.00 0.02 0.00 0.00 177.57 177.75 2ati h ALA 301 N 0.78 0.03 -0.53 1.67 0.00 -0.79 -0.82 119.26 119.60 2ati h ALA 301 Ca 0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2ati h ALA 301 Cb 0.24 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2ati h ALA 301 CO 0.00 -0.40 0.24 0.00 0.00 0.00 0.00 179.25 179.09 2ati h ALA 302 N 0.87 0.68 0.14 0.00 0.00 -1.50 -1.47 119.26 117.98 2ati h ALA 302 Ca 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2ati h ALA 302 Cb 0.14 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2ati h ALA 302 CO -0.00 0.26 -0.07 1.15 0.00 0.00 0.00 179.25 180.59 2ati h THR 303 N 0.71 0.95 -0.60 0.00 2.02 -1.16 -1.90 112.91 112.93 2ati h THR 303 Ca 0.18 -0.37 -0.04 0.00 0.77 0.00 0.00 66.41 66.95 2ati h THR 303 Cb 0.14 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 2ati h THR 303 CO -0.02 0.09 0.19 -0.07 0.37 0.00 0.00 175.52 176.08 2ati h LEU 304 N -0.36 0.83 -0.75 2.58 3.38 -1.08 -0.88 115.31 119.02 2ati h LEU 304 Ca -0.02 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 2ati h LEU 304 Cb 0.29 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2ati h LEU 304 CO 0.03 0.77 -0.01 1.56 0.09 0.00 0.00 178.44 180.88 2ati h GLN 305 N 0.87 0.94 -0.44 1.13 4.20 -1.20 -1.80 115.11 118.80 2ati h GLN 305 Ca 0.20 -0.28 -0.13 0.00 0.06 0.00 0.00 58.65 58.50 2ati h GLN 305 Cb 0.24 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 2ati h GLN 305 CO -0.01 0.94 -0.23 0.22 -0.67 0.00 0.00 178.83 179.08 2ati h ASP 306 N 0.86 0.97 -0.46 1.46 3.58 -0.88 -1.74 116.42 120.22 2ati h ASP 306 Ca 0.16 -0.41 -0.05 0.00 0.42 0.00 0.00 57.03 57.15 2ati h ASP 306 Cb 0.52 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.29 2ati h ASP 306 CO 0.03 1.16 0.09 0.40 -2.88 0.00 0.00 179.24 178.04 2ati h ILE 307 N 0.77 1.24 -0.44 2.25 2.04 -1.01 -1.88 117.51 120.48 2ati h ILE 307 Ca 0.10 -0.86 -0.10 0.00 1.00 0.00 0.00 64.86 65.00 2ati h ILE 307 Cb 0.80 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 2ati h ILE 307 CO 0.07 0.30 -0.12 0.40 0.00 0.00 0.00 178.15 178.80 2ati h ILE 308 N 0.62 1.26 -0.51 -0.67 2.04 -1.28 -1.11 117.51 117.86 2ati h ILE 308 Ca 0.14 -1.20 -0.09 0.00 1.00 0.00 0.00 64.86 64.72 2ati h ILE 308 Cb 0.35 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 2ati h ILE 308 CO 0.01 0.41 -0.02 -0.09 0.00 0.00 0.00 178.15 178.45 2ati h ARG 309 N 0.73 0.91 -0.38 2.37 2.43 -1.14 -0.98 114.38 118.32 2ati h ARG 309 Ca 0.12 -0.30 -0.10 0.00 -0.81 0.00 0.00 59.98 58.89 2ati h ARG 309 Cb 0.62 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 2ati h ARG 309 CO 0.04 0.95 -0.17 -0.09 -1.51 0.00 0.00 179.97 179.19 2ati h ARG 310 N 0.77 0.70 -0.17 0.20 2.43 -1.17 -1.25 114.38 115.89 2ati h ARG 310 Ca 0.14 -0.25 -0.03 0.00 -0.81 0.00 0.00 59.98 59.03 2ati h ARG 310 Cb 0.55 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 2ati h ARG 310 CO 0.03 0.83 -0.01 0.35 -1.51 0.00 0.00 179.97 179.66 2ati h PHE 311 N 0.63 0.34 0.00 2.20 3.57 -0.89 -2.65 116.94 120.14 2ati h PHE 311 Ca 0.10 -0.06 -0.07 0.00 3.53 0.00 0.00 57.97 61.46 2ati h PHE 311 Cb 0.64 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 2ati h PHE 311 CO 0.03 0.54 -0.34 0.87 -2.23 0.00 0.00 178.31 177.19 2ati h LYS 312 N 0.05 0.00 -0.00 1.11 1.57 -1.05 -2.97 116.57 115.27 2ati h LYS 312 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2ati h LYS 312 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2ati h LYS 312 CO 0.01 0.34 -0.24 0.00 -0.57 0.00 0.00 179.45 178.99 2ati n ALA 313 N -2.34 2.98 -1.88 3.86 0.00 -0.48 -4.92 120.51 117.73 2ati n ALA 313 Ca -0.01 -0.27 -0.30 0.00 0.00 0.00 0.00 53.44 52.86 2ati n ALA 313 Cb 0.44 -1.27 0.16 0.00 0.00 0.00 0.00 19.45 18.78 2ati n ALA 313 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2ati s SER 314 N -2.79 3.46 0.07 0.00 1.04 -1.01 -5.01 113.70 109.46 2ati s SER 314 Ca 0.19 0.45 -0.24 0.00 0.48 0.00 0.00 55.95 56.82 2ati s SER 314 Cb 0.19 -0.64 -0.16 0.00 0.10 0.00 0.00 66.02 65.50 2ati s SER 314 CO 0.57 -2.53 1.64 0.11 0.98 0.00 0.00 173.24 174.01 2ati h LYS 315 N -1.50 -0.06 -2.51 4.02 1.57 -1.87 -3.50 116.57 112.72 2ati h LYS 315 Ca -0.45 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.24 2ati h LYS 315 Cb 1.27 0.01 -0.23 0.00 0.08 0.00 0.00 32.23 33.36 2ati h LYS 315 CO 0.47 0.05 -0.11 -0.06 -0.57 0.00 0.00 179.45 179.22 2ati s PHE 316 N -5.81 -0.54 0.00 -1.35 0.40 -1.26 -5.18 117.98 104.24 2ati s PHE 316 Ca -0.14 1.30 0.00 0.00 -0.60 0.00 0.00 56.93 57.49 2ati s PHE 316 Cb 0.05 0.20 0.00 0.00 0.51 0.00 0.00 43.02 43.78 2ati s PHE 316 CO 0.66 -0.29 0.00 -2.37 0.70 0.00 0.00 175.22 173.92 2ati n THR 324 N 2.64 0.00 0.00 0.64 5.66 -1.26 -5.09 114.28 116.87 2ati n THR 324 Ca -0.14 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 2ati n THR 324 Cb 0.56 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.34 2ati n THR 324 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 2ati n VAL 325 N 0.00 0.00 0.81 1.08 0.24 -1.26 -4.58 118.33 114.62 2ati n VAL 325 Ca 0.00 0.00 0.10 0.00 -2.04 0.00 0.00 64.34 62.40 2ati n VAL 325 Cb 0.00 0.00 0.29 0.00 -1.47 0.00 0.00 33.84 32.66 2ati n VAL 325 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 2ati n PHE 326 N -0.23 0.38 0.20 6.34 3.01 -1.26 -4.29 117.46 121.61 2ati n PHE 326 Ca 0.00 -0.19 0.04 0.00 1.01 0.00 0.00 57.45 58.31 2ati n PHE 326 Cb 0.00 0.00 0.46 0.00 -0.01 0.00 0.00 39.48 39.93 2ati n PHE 326 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 2ati h ASP 327 N 3.01 0.03 -0.07 4.37 5.19 -2.01 -2.28 116.42 124.66 2ati h ASP 327 Ca 0.00 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 2ati h ASP 327 Cb 0.67 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.17 2ati h ASP 327 CO 0.00 0.25 0.00 0.00 -3.12 0.00 0.00 179.24 176.37 2ati n ALA 328 N -2.50 2.56 -0.03 3.45 0.00 -1.26 -4.49 120.51 118.24 2ati n ALA 328 Ca -0.02 -0.47 -0.08 0.00 0.00 0.00 0.00 53.44 52.86 2ati n ALA 328 Cb 0.28 -1.14 -0.02 0.00 0.00 0.00 0.00 19.45 18.57 2ati n ALA 328 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2ati h PHE 329 N 2.28 -0.29 0.00 0.00 3.57 -1.68 -2.12 116.94 118.70 2ati h PHE 329 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2ati h PHE 329 Cb 0.49 0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.39 2ati h PHE 329 CO 0.04 -0.18 0.00 -2.30 -2.23 0.00 0.00 178.31 173.64 2ati n PRO 330 N -5.27 0.06 0.00 6.41 -0.02 -1.26 -0.16 135.00 134.75 2ati n PRO 330 Ca -0.02 0.25 0.12 0.00 -2.02 0.00 0.00 63.50 61.83 2ati n PRO 330 Cb 0.19 -1.60 0.23 0.00 -0.02 0.00 0.00 33.50 32.31 2ati n PRO 330 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2ati n ASP 331 N -1.71 1.14 0.00 2.55 8.00 -0.84 -4.15 116.55 121.55 2ati n ASP 331 Ca 0.04 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.62 2ati n ASP 331 Cb 0.22 0.30 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 2ati n ASP 331 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ati n GLN 332 N -0.74 2.97 -4.10 -1.24 1.13 -0.65 -4.55 117.38 110.20 2ati n GLN 332 Ca 0.10 0.00 -0.17 0.00 -1.94 0.00 0.00 57.00 54.99 2ati n GLN 332 Cb 0.37 -0.78 -0.15 0.00 0.11 0.00 0.00 30.24 29.79 2ati n GLN 332 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2ati s VAL 333 N -1.55 0.37 -0.05 5.09 1.01 0.77 -1.62 120.40 124.42 2ati s VAL 333 Ca 0.00 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.86 2ati s VAL 333 Cb 0.00 -0.37 0.02 0.00 0.00 0.00 0.00 36.38 36.04 2ati s VAL 333 CO 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 175.10 175.21 2ati s ALA 334 N 0.38 0.69 -0.15 5.51 0.00 -0.46 -4.45 121.76 123.28 2ati s ALA 334 Ca -0.04 -0.08 0.01 0.00 0.00 0.00 0.00 51.96 51.85 2ati s ALA 334 Cb -0.08 -0.50 0.02 0.00 0.00 0.00 0.00 23.12 22.56 2ati s ALA 334 CO -0.00 -0.12 -0.17 0.42 0.00 0.00 0.00 175.76 175.89 2ati s ILE 335 N 1.15 1.77 -0.23 0.00 1.01 -0.55 0.01 121.20 124.36 2ati s ILE 335 Ca -0.07 -0.77 -0.11 0.00 0.00 0.00 0.00 60.65 59.70 2ati s ILE 335 Cb -0.14 -1.62 -0.05 0.00 0.01 0.00 0.00 42.46 40.66 2ati s ILE 335 CO -0.01 0.49 0.16 -1.58 0.00 0.00 0.00 174.94 174.00 2ati s GLN 336 N 1.29 4.09 -0.39 2.79 2.00 0.09 -2.42 119.66 127.10 2ati s GLN 336 Ca 0.02 -0.25 -0.21 0.00 -2.00 0.00 0.00 55.36 52.92 2ati s GLN 336 Cb -0.13 -3.53 0.01 0.00 0.80 0.00 0.00 33.01 30.16 2ati s GLN 336 CO -0.09 0.09 0.64 -0.51 -0.50 0.00 0.00 175.29 174.92 2ati s LEU 337 N 0.98 4.35 -0.80 3.68 1.02 0.25 -1.63 118.68 126.53 2ati s LEU 337 Ca 0.08 -0.05 -0.23 0.00 0.02 0.00 0.00 54.13 53.95 2ati s LEU 337 Cb -0.13 -2.77 0.07 0.00 0.02 0.00 0.00 46.19 43.38 2ati s LEU 337 CO 0.04 -0.68 1.15 0.21 0.02 0.00 0.00 176.35 177.09 2ati s ASN 338 N 1.89 6.32 0.32 2.29 3.04 -0.90 -1.71 114.94 126.18 2ati s ASN 338 Ca 0.24 -1.18 0.00 0.00 0.04 0.00 0.00 52.86 51.96 2ati s ASN 338 Cb -0.14 -2.47 0.00 0.00 -1.54 0.00 0.00 41.25 37.10 2ati s ASN 338 CO 0.17 -1.46 0.00 -0.67 -3.04 0.00 0.00 177.10 172.10 2ati n ASP 339 N 8.02 -1.77 -0.28 -4.21 -0.08 -0.76 -4.16 116.55 113.31 2ati n ASP 339 Ca 0.10 0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.52 2ati n ASP 339 Cb 0.48 0.00 0.52 0.00 2.34 0.00 0.00 41.12 44.45 2ati n ASP 339 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 2ati n THR 340 N -0.55 0.00 -0.35 5.18 -2.24 -1.26 -4.29 114.28 110.77 2ati n THR 340 Ca 0.00 -0.15 0.13 0.00 -2.27 0.00 0.00 64.05 61.76 2ati n THR 340 Cb 0.00 0.26 0.31 0.00 -2.10 0.00 0.00 70.33 68.81 2ati n THR 340 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 2ati h HIS 341 N 1.37 1.05 -0.80 4.78 3.86 -1.97 -0.98 115.15 122.46 2ati h HIS 341 Ca 0.00 0.03 -0.53 0.00 -1.16 0.00 0.00 60.37 58.71 2ati h HIS 341 Cb 0.44 -0.31 -0.30 0.00 1.06 0.00 0.00 27.41 28.29 2ati h HIS 341 CO 0.00 0.23 0.14 -0.35 0.86 0.00 0.00 177.93 178.81 2ati n PRO 342 N -4.78 2.78 0.27 2.45 -0.04 -1.26 -4.66 135.00 129.77 2ati n PRO 342 Ca 0.23 -3.53 0.11 0.00 -0.04 0.00 0.00 63.50 60.28 2ati n PRO 342 Cb 0.56 -2.19 0.77 0.00 -0.04 0.00 0.00 33.50 32.60 2ati n PRO 342 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ati h ALA 343 N 1.78 1.79 0.00 0.55 0.00 -1.45 -1.90 119.26 120.04 2ati h ALA 343 Ca 0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 2ati h ALA 343 Cb 1.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2ati h ALA 343 CO 1.06 -0.01 0.00 1.28 0.00 0.00 0.00 179.25 181.58 2ati n LEU 344 N -4.22 0.00 0.22 0.00 4.77 -1.26 -1.93 117.00 114.58 2ati n LEU 344 Ca -0.03 0.43 0.06 0.00 -0.03 0.00 0.00 56.01 56.45 2ati n LEU 344 Cb 0.10 -0.43 0.50 0.00 -2.33 0.00 0.00 43.42 41.26 2ati n LEU 344 CO 0.31 -0.35 0.85 0.00 -1.33 0.00 0.00 177.39 176.87 2ati h ALA 345 N 2.22 1.46 0.49 -1.18 0.00 -1.70 -2.25 119.26 118.30 2ati h ALA 345 Ca 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 2ati h ALA 345 Cb 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2ati h ALA 345 CO 0.00 0.30 -0.23 0.82 0.00 0.00 0.00 179.25 180.13 2ati h ILE 346 N 0.00 0.17 0.00 0.00 2.04 -1.63 -1.67 117.51 116.42 2ati h ILE 346 Ca -0.00 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.33 2ati h ILE 346 Cb 0.46 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 2ati h ILE 346 CO 0.03 0.03 0.00 1.55 0.00 0.00 0.00 178.15 179.76 2ati h PRO 347 N -1.11 0.00 -0.05 2.37 0.13 -1.75 -2.49 132.00 129.11 2ati h PRO 347 Ca -0.07 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.83 2ati h PRO 347 Cb 0.56 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.70 2ati h PRO 347 CO 0.11 0.00 -0.92 1.49 -0.23 0.00 0.00 178.00 178.45 2ati h GLU 348 N 0.00 0.62 -0.07 0.86 4.57 -1.41 -0.46 114.58 118.69 2ati h GLU 348 Ca 0.00 -0.60 -0.12 0.00 -1.18 0.00 0.00 59.36 57.46 2ati h GLU 348 Cb 0.40 0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.13 2ati h GLU 348 CO 0.00 1.21 -0.51 1.25 -1.18 0.00 0.00 179.01 179.78 2ati h LEU 349 N 0.38 0.20 -0.46 1.64 6.46 -0.99 -1.61 115.31 120.92 2ati h LEU 349 Ca -0.09 -0.10 -0.17 0.00 -0.12 0.00 0.00 57.88 57.41 2ati h LEU 349 Cb 1.55 -0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 41.42 2ati h LEU 349 CO 0.17 0.68 -0.52 0.24 -0.62 0.00 0.00 178.44 178.39 2ati h MET 350 N 0.14 0.69 -0.08 1.25 2.86 -1.40 -1.98 114.93 116.40 2ati h MET 350 Ca 0.00 -0.42 -0.01 0.00 -2.06 0.00 0.00 59.70 57.22 2ati h MET 350 Cb 0.96 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.65 2ati h MET 350 CO 0.08 1.04 0.03 -0.09 1.06 0.00 0.00 176.91 179.02 2ati h ARG 351 N 0.54 0.13 -0.44 1.72 2.43 -0.71 -0.17 114.38 117.88 2ati h ARG 351 Ca 0.02 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2ati h ARG 351 Cb 1.08 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.59 2ati h ARG 351 CO 0.11 0.27 0.20 0.82 -1.51 0.00 0.00 179.97 179.86 2ati h ILE 352 N -0.04 1.19 -0.39 1.20 2.04 -1.32 0.13 117.51 120.31 2ati h ILE 352 Ca 0.03 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 2ati h ILE 352 Cb 0.19 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 2ati h ILE 352 CO -0.00 0.20 0.17 -0.26 0.00 0.00 0.00 178.15 178.27 2ati h PHE 353 N 0.57 0.57 0.00 1.37 0.05 -1.26 0.14 116.94 118.38 2ati h PHE 353 Ca 0.15 -0.03 -0.05 0.00 3.82 0.00 0.00 57.97 61.85 2ati h PHE 353 Cb 0.13 -0.17 -0.01 0.00 2.00 0.00 0.00 35.95 37.90 2ati h PHE 353 CO -0.01 0.49 -0.33 0.28 -0.18 0.00 0.00 178.31 178.56 2ati h VAL 354 N 0.48 1.03 0.08 -0.55 2.07 -0.96 0.14 116.25 118.55 2ati h VAL 354 Ca 0.13 -1.89 -0.27 0.00 0.82 0.00 0.00 66.70 65.49 2ati h VAL 354 Cb 0.15 2.06 0.02 0.00 -1.52 0.00 0.00 31.29 32.00 2ati h VAL 354 CO -0.01 0.35 -1.15 0.44 0.02 0.00 0.00 177.57 177.22 2ati h ASP 355 N -1.00 0.71 0.01 0.57 3.32 -0.89 -3.15 116.42 115.98 2ati h ASP 355 Ca -0.08 -0.64 -0.39 0.00 0.02 0.00 0.00 57.03 55.95 2ati h ASP 355 Cb 0.80 -0.22 -0.06 0.00 0.22 0.00 0.00 39.33 40.07 2ati h ASP 355 CO -0.05 1.46 -2.15 -0.38 -1.72 0.00 0.00 179.24 176.40 2ati n ILE 356 N -3.74 1.54 1.51 0.35 5.41 -0.94 -4.54 119.36 118.96 2ati n ILE 356 Ca -0.11 -0.32 0.14 0.00 1.00 0.00 0.00 62.75 63.47 2ati n ILE 356 Cb 0.94 -1.87 0.59 0.00 -0.71 0.00 0.00 39.64 38.59 2ati n ILE 356 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2ati n GLU 357 N -4.17 1.18 -3.29 0.38 -0.58 0.44 -4.96 120.64 109.65 2ati n GLU 357 Ca -0.46 -0.55 -0.23 0.00 -0.42 0.00 0.00 57.16 55.49 2ati n GLU 357 Cb 0.85 -1.49 0.01 0.00 -0.57 0.00 0.00 31.44 30.24 2ati n GLU 357 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2ati n LYS 358 N -0.42 -4.10 -3.27 3.49 4.76 -0.98 -4.94 118.16 112.69 2ati n LYS 358 Ca 0.18 0.63 -0.34 0.00 -2.87 0.00 0.00 58.31 55.91 2ati n LYS 358 Cb 0.30 -5.41 -0.06 0.00 -1.84 0.00 0.00 35.03 28.02 2ati n LYS 358 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2ati s LEU 359 N -6.62 4.26 0.71 -0.35 1.43 -0.00 -4.99 118.68 113.13 2ati s LEU 359 Ca 0.39 1.16 -0.13 0.00 -1.03 0.00 0.00 54.13 54.51 2ati s LEU 359 Cb -0.19 -3.56 0.03 0.00 0.03 0.00 0.00 46.19 42.50 2ati s LEU 359 CO 0.48 0.00 1.11 -2.16 0.23 0.00 0.00 176.35 176.01 2ati s PRO 360 N -2.30 2.50 0.18 1.29 0.04 -1.26 -4.23 135.00 131.22 2ati s PRO 360 Ca 0.44 1.35 -0.19 0.00 0.04 0.00 0.00 61.00 62.64 2ati s PRO 360 Cb -0.14 -1.92 0.12 0.00 0.04 0.00 0.00 34.50 32.61 2ati s PRO 360 CO 0.20 -1.48 1.62 2.35 0.04 0.00 0.00 177.00 179.73 2ati h TRP 361 N -0.45 -0.56 -0.70 0.56 2.91 -1.97 -1.53 115.95 114.21 2ati h TRP 361 Ca -0.46 0.05 0.07 0.00 1.13 0.00 0.00 58.89 59.69 2ati h TRP 361 Cb 1.25 0.31 -0.06 0.00 -0.51 0.00 0.00 29.16 30.15 2ati h TRP 361 CO 0.55 -0.30 0.38 0.66 -1.03 0.00 0.00 178.44 178.69 2ati h SER 362 N -0.12 0.54 0.01 2.65 4.64 -1.99 0.05 113.55 119.31 2ati h SER 362 Ca 0.22 0.04 -0.22 0.00 -0.47 0.00 0.00 61.79 61.36 2ati h SER 362 Cb 0.46 -0.06 0.01 0.00 -0.31 0.00 0.00 62.40 62.50 2ati h SER 362 CO -0.53 0.33 -0.80 0.50 -0.87 0.00 0.00 176.83 175.46 2ati h LYS 363 N 0.67 0.66 -0.68 4.77 1.63 -1.90 -2.59 116.57 119.13 2ati h LYS 363 Ca 0.32 -0.56 -0.03 0.00 -0.85 0.00 0.00 60.65 59.54 2ati h LYS 363 Cb 0.26 0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.98 2ati h LYS 363 CO -0.22 1.17 0.31 0.00 -3.45 0.00 0.00 179.45 177.27 2ati h ALA 364 N 0.66 0.87 -0.30 5.00 0.00 -0.89 -2.28 119.26 122.33 2ati h ALA 364 Ca -0.05 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 2ati h ALA 364 Cb 1.41 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2ati h ALA 364 CO 0.15 0.45 -0.39 2.35 0.00 0.00 0.00 179.25 181.82 2ati h TRP 365 N 0.94 0.85 -0.35 0.00 2.91 -1.00 -1.69 115.95 117.60 2ati h TRP 365 Ca 0.23 -0.25 -0.02 0.00 1.13 0.00 0.00 58.89 59.99 2ati h TRP 365 Cb 0.14 -0.18 -0.02 0.00 -0.51 0.00 0.00 29.16 28.59 2ati h TRP 365 CO 0.01 0.99 0.16 1.49 -1.03 0.00 0.00 178.44 180.05 2ati h GLU 366 N 0.59 0.52 -0.45 2.65 4.81 -1.27 -2.11 114.58 119.30 2ati h GLU 366 Ca 0.05 -0.08 -0.14 0.00 -0.13 0.00 0.00 59.36 59.06 2ati h GLU 366 Cb 0.92 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 2ati h GLU 366 CO 0.08 0.49 -0.26 -0.07 -0.73 0.00 0.00 179.01 178.52 2ati h LEU 367 N 0.43 1.02 -0.24 1.64 3.38 -1.35 -2.91 115.31 117.28 2ati h LEU 367 Ca 0.12 -0.42 0.01 0.00 0.09 0.00 0.00 57.88 57.68 2ati h LEU 367 Cb 0.15 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2ati h LEU 367 CO -0.01 1.21 0.13 0.74 0.09 0.00 0.00 178.44 180.61 2ati h THR 368 N 0.83 1.02 -0.79 0.22 2.02 -1.19 -1.50 112.91 113.51 2ati h THR 368 Ca 0.10 -0.10 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 2ati h THR 368 Cb 0.85 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.94 2ati h THR 368 CO 0.08 0.05 0.37 1.56 0.37 0.00 0.00 175.52 177.95 2ati h GLN 369 N 0.28 1.14 0.00 6.66 4.20 -1.36 -2.17 115.11 123.86 2ati h GLN 369 Ca 0.09 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.63 2ati h GLN 369 Cb 0.00 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.58 2ati h GLN 369 CO -0.05 0.89 0.00 1.63 -0.67 0.00 0.00 178.83 180.63 2ati n LYS 370 N -4.31 0.21 -0.01 1.46 5.02 -1.08 -1.65 118.16 117.80 2ati n LYS 370 Ca 0.08 0.24 -0.21 0.00 -2.02 0.00 0.00 58.31 56.39 2ati n LYS 370 Cb 0.15 -1.78 -0.13 0.00 -0.02 0.00 0.00 35.03 33.24 2ati n LYS 370 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2ati h THR 371 N 0.00 1.04 -3.41 -0.18 2.02 -0.72 -3.46 112.91 108.19 2ati h THR 371 Ca 0.00 -2.37 -0.53 0.00 0.77 0.00 0.00 66.41 64.28 2ati h THR 371 Cb 0.62 2.68 -0.02 0.00 -1.74 0.00 0.00 68.15 69.69 2ati h THR 371 CO 0.00 0.66 -0.10 -0.36 0.37 0.00 0.00 175.52 176.09 2ati s PHE 372 N -2.45 3.44 -0.09 3.16 0.40 -0.87 -1.48 117.98 120.09 2ati s PHE 372 Ca -0.21 0.84 -0.08 0.00 -0.60 0.00 0.00 56.93 56.88 2ati s PHE 372 Cb 0.04 -2.24 0.02 0.00 0.51 0.00 0.00 43.02 41.35 2ati s PHE 372 CO 0.74 0.22 0.23 0.00 0.70 0.00 0.00 175.22 177.11 2ati s ALA 373 N -1.91 -0.58 -0.07 5.36 0.00 -1.02 -1.72 121.76 121.82 2ati s ALA 373 Ca 0.47 0.66 0.05 0.00 0.00 0.00 0.00 51.96 53.14 2ati s ALA 373 Cb -0.11 -0.38 -0.01 0.00 0.00 0.00 0.00 23.12 22.61 2ati s ALA 373 CO 0.24 -0.11 -0.22 -0.47 0.00 0.00 0.00 175.76 175.19 2ati s TYR 374 N 0.13 2.52 -0.24 0.00 5.04 -0.32 -0.58 117.35 123.89 2ati s TYR 374 Ca -0.00 -0.66 -0.04 0.00 -2.44 0.00 0.00 57.07 53.93 2ati s TYR 374 Cb -0.02 -1.64 0.00 0.00 0.35 0.00 0.00 41.96 40.66 2ati s TYR 374 CO 0.00 -0.18 -0.02 0.99 -1.34 0.00 0.00 175.55 175.01 2ati s THR 375 N -0.15 3.40 -0.08 4.34 2.01 -0.69 -0.94 115.64 123.52 2ati s THR 375 Ca -0.03 -0.66 -0.19 0.00 0.31 0.00 0.00 61.69 61.12 2ati s THR 375 Cb -0.14 -2.64 -0.04 0.00 0.01 0.00 0.00 72.50 69.69 2ati s THR 375 CO 0.04 0.29 0.51 0.21 -0.69 0.00 0.00 174.62 174.97 2ati s ASN 376 N 1.45 6.77 0.00 3.53 2.47 0.56 -1.83 114.94 127.89 2ati s ASN 376 Ca 0.04 0.92 0.00 0.00 0.42 0.00 0.00 52.86 54.23 2ati s ASN 376 Cb -0.15 -2.31 0.00 0.00 -1.45 0.00 0.00 41.25 37.34 2ati s ASN 376 CO -0.02 0.04 0.15 1.41 -3.72 0.00 0.00 177.10 174.96 2ati n HIS 377 N 3.34 0.00 -3.94 0.43 8.25 -1.26 -3.93 115.22 118.11 2ati n HIS 377 Ca -0.07 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.12 2ati n HIS 377 Cb 0.52 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.59 2ati n HIS 377 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2ati s THR 378 N -0.63 5.33 0.00 1.59 -4.23 -1.26 -4.64 115.64 111.80 2ati s THR 378 Ca 0.00 -0.63 0.00 0.00 -1.18 0.00 0.00 61.69 59.88 2ati s THR 378 Cb 0.00 -3.72 0.00 0.00 1.34 0.00 0.00 72.50 70.12 2ati s THR 378 CO 0.00 -0.05 0.00 0.52 -0.54 0.00 0.00 174.62 174.55 2ati n VAL 379 N -0.38 0.00 -2.18 2.29 0.31 -1.26 -5.01 118.33 112.10 2ati n VAL 379 Ca -0.07 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.86 2ati n VAL 379 Cb 0.53 -0.28 -0.03 0.00 -0.91 0.00 0.00 33.84 33.15 2ati n VAL 379 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2ati s LEU 380 N -4.01 4.43 0.30 7.52 1.43 -1.26 -4.97 118.68 122.12 2ati s LEU 380 Ca 0.00 2.55 -0.01 0.00 -1.03 0.00 0.00 54.13 55.64 2ati s LEU 380 Cb 0.00 -3.63 0.47 0.00 0.03 0.00 0.00 46.19 43.06 2ati s LEU 380 CO 0.00 -0.50 1.90 -0.65 0.23 0.00 0.00 176.35 177.33 2ati h PRO 381 N 4.25 0.89 0.00 1.29 0.11 -1.98 -2.60 132.00 133.96 2ati h PRO 381 Ca -0.47 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 65.52 2ati h PRO 381 Cb 1.22 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2ati h PRO 381 CO 0.71 0.69 0.00 -0.85 -0.21 0.00 0.00 178.00 178.34 2ati n GLU 382 N -4.35 0.01 0.10 1.05 0.00 -1.26 -2.87 120.64 113.32 2ati n GLU 382 Ca 0.06 0.14 0.07 0.00 0.00 0.00 0.00 57.16 57.43 2ati n GLU 382 Cb 0.14 -1.50 -0.01 0.00 0.00 0.00 0.00 31.44 30.07 2ati n GLU 382 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2ati h ALA 383 N 2.71 0.62 -2.60 -1.84 0.00 -1.63 0.21 119.26 116.74 2ati h ALA 383 Ca 0.00 -0.31 -0.53 0.00 0.00 0.00 0.00 54.91 54.07 2ati h ALA 383 Cb 0.35 0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.24 2ati h ALA 383 CO 0.00 0.35 0.59 -0.51 0.00 0.00 0.00 179.25 179.68 2ati s LEU 384 N -5.69 4.41 -0.42 0.00 1.43 -1.14 -4.28 118.68 112.99 2ati s LEU 384 Ca -0.00 2.20 -0.29 0.00 -1.03 0.00 0.00 54.13 55.01 2ati s LEU 384 Cb 0.09 -3.60 0.03 0.00 0.03 0.00 0.00 46.19 42.73 2ati s LEU 384 CO 0.78 -0.45 1.11 -1.61 0.23 0.00 0.00 176.35 176.41 2ati s GLU 385 N 0.34 3.84 -0.52 1.70 2.02 -1.26 -4.78 118.70 120.04 2ati s GLU 385 Ca 0.57 0.74 0.03 0.00 0.02 0.00 0.00 54.97 56.33 2ati s GLU 385 Cb -0.33 -3.85 0.15 0.00 0.10 0.00 0.00 34.13 30.21 2ati s GLU 385 CO 0.34 -1.21 0.32 1.03 0.02 0.00 0.00 175.26 175.77 2ati s ARG 386 N 4.15 1.68 0.02 1.61 0.52 -1.26 -2.38 118.95 123.28 2ati s ARG 386 Ca 0.47 -2.49 -0.30 0.00 -0.52 0.00 0.00 55.73 52.88 2ati s ARG 386 Cb -0.09 -2.68 -0.04 0.00 0.52 0.00 0.00 34.95 32.66 2ati s ARG 386 CO 0.26 -1.22 1.09 -1.58 0.02 0.00 0.00 175.30 173.88 2ati s TRP 387 N -0.29 3.52 0.30 -0.53 0.52 -1.02 -4.68 118.94 116.75 2ati s TRP 387 Ca 0.21 1.48 -0.30 0.00 0.02 0.00 0.00 56.10 57.52 2ati s TRP 387 Cb -0.15 -3.28 -0.11 0.00 -1.15 0.00 0.00 33.47 28.78 2ati s TRP 387 CO -0.07 -0.68 1.53 -2.14 0.02 0.00 0.00 176.95 175.61 2ati s PRO 388 N 1.19 4.16 0.49 4.98 0.02 -1.26 -0.01 135.00 144.57 2ati s PRO 388 Ca 0.55 2.50 0.15 0.00 0.02 0.00 0.00 61.00 64.21 2ati s PRO 388 Cb -0.25 -3.04 1.15 0.00 0.02 0.00 0.00 34.50 32.38 2ati s PRO 388 CO 0.27 -0.55 2.09 -0.39 -0.33 0.00 0.00 177.00 178.10 2ati h VAL 389 N 3.34 1.05 -0.30 3.83 -1.51 -1.53 -2.58 116.25 118.55 2ati h VAL 389 Ca -0.47 -0.22 -0.12 0.00 -1.23 0.00 0.00 66.70 64.66 2ati h VAL 389 Cb 1.22 1.07 -0.01 0.00 -2.13 0.00 0.00 31.29 31.44 2ati h VAL 389 CO 0.76 0.07 -0.29 0.44 -1.23 0.00 0.00 177.57 177.31 2ati h ASP 390 N 0.05 0.63 -0.19 4.19 3.45 -1.91 0.17 116.42 122.80 2ati h ASP 390 Ca 0.01 -0.24 -0.20 0.00 0.43 0.00 0.00 57.03 57.03 2ati h ASP 390 Cb 0.10 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 38.70 2ati h ASP 390 CO 0.01 0.90 -0.62 0.25 -1.57 0.00 0.00 179.24 178.20 2ati h LEU 391 N 0.53 0.92 -0.42 1.55 5.85 -1.86 -2.48 115.31 119.39 2ati h LEU 391 Ca 0.07 -0.53 -0.17 0.00 0.84 0.00 0.00 57.88 58.08 2ati h LEU 391 Cb 0.78 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 2ati h LEU 391 CO 0.06 1.32 -0.78 0.58 -0.34 0.00 0.00 178.44 179.28 2ati h VAL 392 N 0.60 1.49 -0.33 1.05 2.07 -1.34 -2.37 116.25 117.41 2ati h VAL 392 Ca -0.01 -2.49 -0.07 0.00 0.82 0.00 0.00 66.70 64.95 2ati h VAL 392 Cb 1.23 2.35 -0.01 0.00 -1.52 0.00 0.00 31.29 33.35 2ati h VAL 392 CO 0.13 0.72 -0.08 -0.08 0.02 0.00 0.00 177.57 178.28 2ati h GLU 393 N 0.08 0.63 -0.09 1.57 4.81 -0.62 0.14 114.58 121.10 2ati h GLU 393 Ca -0.02 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 58.95 2ati h GLU 393 Cb 1.37 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.71 2ati h GLU 393 CO 0.11 0.81 0.01 -0.22 -0.73 0.00 0.00 179.01 178.99 2ati h LYS 394 N 0.41 0.16 0.03 1.92 3.64 -1.47 -3.07 116.57 118.19 2ati h LYS 394 Ca 0.08 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 2ati h LYS 394 Cb 0.58 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.39 2ati h LYS 394 CO 0.03 0.39 -0.20 1.25 -2.27 0.00 0.00 179.45 178.66 2ati h LEU 395 N -0.10 0.11 -6.27 5.20 5.85 -1.45 -3.39 115.31 115.27 2ati h LEU 395 Ca 0.03 -0.99 -0.59 0.00 0.84 0.00 0.00 57.88 57.17 2ati h LEU 395 Cb 0.32 -0.04 -0.41 0.00 0.37 0.00 0.00 40.66 40.90 2ati h LEU 395 CO 0.00 1.09 -0.78 0.18 -0.34 0.00 0.00 178.44 178.60 2ati n LEU 396 N -4.49 2.21 -0.20 2.25 4.77 0.49 -0.89 117.00 121.14 2ati n LEU 396 Ca -0.11 -5.09 0.06 0.00 -0.03 0.00 0.00 56.01 50.83 2ati n LEU 396 Cb 0.56 -0.18 0.33 0.00 -2.33 0.00 0.00 43.42 41.80 2ati n LEU 396 CO 0.37 2.01 1.22 1.55 -1.33 0.00 0.00 177.39 181.21 2ati h PRO 397 N 4.40 0.79 -0.04 3.23 0.13 -1.59 -2.42 132.00 136.51 2ati h PRO 397 Ca 0.16 -0.05 -0.16 0.00 -0.87 0.00 0.00 66.00 65.08 2ati h PRO 397 Cb 0.76 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 2ati h PRO 397 CO 0.67 0.52 -0.70 -0.09 -0.23 0.00 0.00 178.00 178.18 2ati h ARG 398 N 0.82 0.20 -0.17 0.86 9.65 -1.91 -2.95 114.38 120.88 2ati h ARG 398 Ca 0.32 -0.16 -0.14 0.00 -1.10 0.00 0.00 59.98 58.90 2ati h ARG 398 Cb 0.22 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.82 2ati h ARG 398 CO -0.11 0.82 -0.47 0.45 2.80 0.00 0.00 179.97 183.46 2ati h HIS 399 N 0.14 0.54 -0.40 2.20 3.86 -1.81 -2.36 115.15 117.33 2ati h HIS 399 Ca -0.02 -0.17 -0.10 0.00 -1.16 0.00 0.00 60.37 58.92 2ati h HIS 399 Cb 1.24 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 29.58 2ati h HIS 399 CO 0.02 0.84 -0.17 1.25 0.86 0.00 0.00 177.93 180.73 2ati h LEU 400 N 0.36 0.75 -0.60 2.43 5.85 -1.43 0.50 115.31 123.17 2ati h LEU 400 Ca 0.02 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.46 2ati h LEU 400 Cb 0.97 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 2ati h LEU 400 CO 0.08 0.92 0.22 -0.33 -0.34 0.00 0.00 178.44 178.99 2ati h GLU 401 N 0.66 0.91 -0.33 1.25 5.08 -1.34 0.37 114.58 121.18 2ati h GLU 401 Ca 0.10 -0.18 -0.14 0.00 -1.00 0.00 0.00 59.36 58.15 2ati h GLU 401 Cb 0.66 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2ati h GLU 401 CO 0.05 0.79 -0.35 0.82 -1.00 0.00 0.00 179.01 179.32 2ati h ILE 402 N 0.84 1.28 -0.51 3.13 2.04 -1.14 -1.32 117.51 121.83 2ati h ILE 402 Ca 0.20 -1.51 -0.10 0.00 1.00 0.00 0.00 64.86 64.44 2ati h ILE 402 Cb 0.24 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 2ati h ILE 402 CO -0.01 0.49 -0.09 0.40 0.00 0.00 0.00 178.15 178.95 2ati h ILE 403 N 0.63 1.26 -0.51 -0.67 2.04 -0.57 -0.17 117.51 119.52 2ati h ILE 403 Ca 0.06 -1.20 -0.10 0.00 1.00 0.00 0.00 64.86 64.62 2ati h ILE 403 Cb 0.89 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 2ati h ILE 403 CO 0.08 0.42 -0.09 1.88 0.00 0.00 0.00 178.15 180.45 2ati h TYR 404 N 0.83 1.03 -0.01 1.37 0.05 -0.75 -1.11 116.97 118.37 2ati h TYR 404 Ca 0.14 -0.19 -0.15 0.00 0.05 0.00 0.00 58.73 58.57 2ati h TYR 404 Cb 0.61 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 38.07 2ati h TYR 404 CO 0.04 0.96 -0.71 1.49 -1.05 0.00 0.00 178.16 178.89 2ati h GLU 405 N 0.84 0.09 -0.30 4.88 4.57 -0.97 -1.12 114.58 122.56 2ati h GLU 405 Ca 0.14 -0.07 -0.11 0.00 -1.18 0.00 0.00 59.36 58.14 2ati h GLU 405 Cb 0.61 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.22 2ati h GLU 405 CO 0.04 0.76 -0.22 0.82 -1.18 0.00 0.00 179.01 179.22 2ati h ILE 406 N 0.06 1.30 -0.53 2.32 2.04 -0.85 -2.53 117.51 119.32 2ati h ILE 406 Ca -0.01 -1.37 -0.05 0.00 1.00 0.00 0.00 64.86 64.43 2ati h ILE 406 Cb 1.25 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 38.82 2ati h ILE 406 CO 0.10 0.44 0.12 -1.13 0.00 0.00 0.00 178.15 177.68 2ati h ASN 407 N 0.43 0.76 -0.32 1.72 -1.24 -1.08 -1.49 115.58 114.36 2ati h ASN 407 Ca 0.06 -0.14 -0.07 0.00 0.71 0.00 0.00 56.30 56.86 2ati h ASN 407 Cb 0.77 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.62 2ati h ASN 407 CO 0.06 0.75 -0.08 -0.61 -1.29 0.00 0.00 177.43 176.26 2ati h GLN 408 N 0.78 0.63 0.00 6.67 5.75 -1.08 0.40 115.11 128.26 2ati h GLN 408 Ca 0.17 -0.24 -0.06 0.00 -0.15 0.00 0.00 58.65 58.38 2ati h GLN 408 Cb 0.30 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.81 2ati h GLN 408 CO -0.00 0.81 -0.26 0.87 -2.65 0.00 0.00 178.83 177.59 2ati h LYS 409 N 0.40 0.00 0.01 1.69 1.79 -1.29 -1.81 116.57 117.36 2ati h LYS 409 Ca 0.08 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.47 2ati h LYS 409 Cb 0.58 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.23 2ati h LYS 409 CO 0.03 0.26 -0.32 1.25 -1.08 0.00 0.00 179.45 179.59 2ati h HIS 410 N 0.00 0.30 -0.00 -1.35 2.76 -1.04 -3.29 115.15 112.53 2ati h HIS 410 Ca -0.00 -0.17 -0.12 0.00 -2.20 0.00 0.00 60.37 57.87 2ati h HIS 410 Cb 0.77 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.68 2ati h HIS 410 CO 0.00 1.01 -0.57 -0.07 -1.30 0.00 0.00 177.93 177.00 2ati h LEU 411 N -0.50 0.01 -1.47 0.26 3.38 -0.82 -3.08 115.31 113.08 2ati h LEU 411 Ca -0.04 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 2ati h LEU 411 Cb 1.11 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 2ati h LEU 411 CO 0.06 0.58 -0.27 0.44 0.09 0.00 0.00 178.44 179.34 2ati h ASP 412 N 0.00 0.00 -0.05 -0.43 5.19 -1.44 -2.24 116.42 117.44 2ati h ASP 412 Ca -0.01 0.00 -0.23 0.00 -0.62 0.00 0.00 57.03 56.17 2ati h ASP 412 Cb 1.01 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.53 2ati h ASP 412 CO 0.07 0.27 -0.86 0.03 -3.12 0.00 0.00 179.24 175.64 2ati h ARG 413 N 0.00 0.72 0.00 3.56 2.47 -1.60 -2.55 114.38 116.98 2ati h ARG 413 Ca -0.00 -0.65 -0.04 0.00 -1.26 0.00 0.00 59.98 58.03 2ati h ARG 413 Cb 0.49 0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.96 2ati h ARG 413 CO 0.03 1.25 -0.19 0.82 0.56 0.00 0.00 179.97 182.44 2ati h ILE 414 N 0.47 0.49 0.04 2.04 2.04 -1.46 -0.72 117.51 120.41 2ati h ILE 414 Ca -0.07 -1.01 -0.25 0.00 1.00 0.00 0.00 64.86 64.53 2ati h ILE 414 Cb 1.49 1.71 -0.02 0.00 -0.74 0.00 0.00 36.82 39.25 2ati h ILE 414 CO 0.17 0.19 -1.20 0.58 0.00 0.00 0.00 178.15 177.88 2ati h VAL 415 N 0.00 1.50 0.00 1.67 2.07 -1.40 -0.99 116.25 119.10 2ati h VAL 415 Ca -0.00 -3.19 -0.06 0.00 0.82 0.00 0.00 66.70 64.27 2ati h VAL 415 Cb 0.69 2.80 -0.01 0.00 -1.52 0.00 0.00 31.29 33.26 2ati h VAL 415 CO 0.02 0.88 -0.28 0.00 0.02 0.00 0.00 177.57 178.21 2ati h ALA 416 N 0.85 0.83 0.01 1.67 0.00 -0.99 -3.14 119.26 118.51 2ati h ALA 416 Ca -0.10 -0.26 -0.41 0.00 0.00 0.00 0.00 54.91 54.15 2ati h ALA 416 Cb 1.87 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.55 2ati h ALA 416 CO 0.14 0.35 -2.38 1.28 0.00 0.00 0.00 179.25 178.64 2ati n LEU 417 N -3.20 2.52 -3.69 0.00 4.77 -0.33 -4.83 117.00 112.25 2ati n LEU 417 Ca 0.02 0.10 -0.29 0.00 -0.03 0.00 0.00 56.01 55.81 2ati n LEU 417 Cb 0.62 -0.90 -0.12 0.00 -2.33 0.00 0.00 43.42 40.68 2ati n LEU 417 CO 0.37 0.76 -0.22 -0.36 -1.33 0.00 0.00 177.39 176.61 2ati s PHE 418 N -2.51 2.09 0.06 -1.77 0.40 -0.37 -5.02 117.98 110.86 2ati s PHE 418 Ca -0.35 -2.55 -0.20 0.00 -0.60 0.00 0.00 56.93 53.22 2ati s PHE 418 Cb 0.11 -1.86 -0.12 0.00 0.51 0.00 0.00 43.02 41.66 2ati s PHE 418 CO 0.58 -0.75 1.48 -1.35 0.70 0.00 0.00 175.22 175.88 2ati h PRO 419 N 6.34 0.31 -0.91 0.24 0.11 -1.72 -3.28 132.00 133.09 2ati h PRO 419 Ca 0.06 -0.10 -0.03 0.00 0.11 0.00 0.00 66.00 66.04 2ati h PRO 419 Cb 0.90 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.97 2ati h PRO 419 CO 0.50 0.54 0.03 1.63 -0.21 0.00 0.00 178.00 180.49 2ati n LYS 420 N -4.71 1.92 -3.88 1.05 5.02 -1.26 -4.55 118.16 111.75 2ati n LYS 420 Ca -0.05 -0.84 -0.28 0.00 -2.02 0.00 0.00 58.31 55.12 2ati n LYS 420 Cb 0.23 -1.64 -0.12 0.00 -0.02 0.00 0.00 35.03 33.48 2ati n LYS 420 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2ati s ASP 421 N -0.10 4.55 0.41 4.39 3.68 -1.24 -4.93 116.67 123.43 2ati s ASP 421 Ca 0.15 -3.65 0.22 0.00 2.13 0.00 0.00 52.55 51.40 2ati s ASP 421 Cb 0.11 -1.57 0.59 0.00 -1.45 0.00 0.00 42.92 40.61 2ati s ASP 421 CO 0.04 -0.12 1.69 -0.37 0.13 0.00 0.00 175.17 176.54 2ati h VAL 422 N 4.61 0.46 0.00 1.11 -1.51 -1.87 -3.22 116.25 115.83 2ati h VAL 422 Ca 0.11 -1.34 -0.08 0.00 -1.23 0.00 0.00 66.70 64.15 2ati h VAL 422 Cb 0.79 1.98 -0.01 0.00 -2.13 0.00 0.00 31.29 31.92 2ati h VAL 422 CO 0.69 0.23 -0.40 -0.78 -1.23 0.00 0.00 177.57 176.08 2ati h ASP 423 N 0.00 0.00 0.95 4.19 1.82 -1.99 -3.10 116.42 118.29 2ati h ASP 423 Ca -0.00 0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.57 2ati h ASP 423 Cb 0.96 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.96 2ati h ASP 423 CO 0.03 0.40 -0.33 -0.09 -1.61 0.00 0.00 179.24 177.64 2ati h ARG 424 N 0.00 0.00 -0.20 0.28 2.43 -1.98 -2.78 114.38 112.13 2ati h ARG 424 Ca -0.00 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.08 2ati h ARG 424 Cb 1.23 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.77 2ati h ARG 424 CO 0.05 0.33 -0.20 -0.07 -1.51 0.00 0.00 179.97 178.58 2ati h LEU 425 N 0.00 0.52 -0.41 3.80 3.38 -1.64 -1.36 115.31 119.60 2ati h LEU 425 Ca -0.00 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2ati h LEU 425 Cb 0.90 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2ati h LEU 425 CO 0.04 0.89 0.00 0.08 0.09 0.00 0.00 178.44 179.54 2ati h ARG 426 N 0.17 0.00 0.17 1.13 0.11 -1.61 -2.08 114.38 112.27 2ati h ARG 426 Ca 0.03 0.00 -0.32 0.00 0.10 0.00 0.00 59.98 59.79 2ati h ARG 426 Cb 0.74 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.83 2ati h ARG 426 CO 0.05 0.00 -1.51 -0.09 0.10 0.00 0.00 179.97 178.51 2ati h ARG 427 N 0.00 0.37 -0.00 0.08 2.43 -1.42 -3.35 114.38 112.48 2ati h ARG 427 Ca 0.00 -0.63 0.00 0.00 -0.81 0.00 0.00 59.98 58.54 2ati h ARG 427 Cb 0.78 0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 2ati h ARG 427 CO 0.00 1.27 -0.57 -1.33 -1.51 0.00 0.00 179.97 177.83 2ati n MET 428 N -3.57 0.10 -1.89 0.20 2.81 -0.52 -4.96 117.12 109.29 2ati n MET 428 Ca -0.17 -0.06 -0.38 0.00 -1.81 0.00 0.00 57.70 55.28 2ati n MET 428 Cb 1.06 -1.50 0.03 0.00 -0.71 0.00 0.00 33.22 32.11 2ati n MET 428 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2ati s SER 429 N -2.95 5.32 0.29 7.83 0.15 -0.78 -4.91 113.70 118.65 2ati s SER 429 Ca 0.12 2.62 0.25 0.00 0.70 0.00 0.00 55.95 59.64 2ati s SER 429 Cb 0.17 -2.62 0.69 0.00 -1.71 0.00 0.00 66.02 62.56 2ati s SER 429 CO 0.71 -1.52 1.73 -0.07 1.20 0.00 0.00 173.24 175.29 2ati h LEU 430 N 1.36 0.00 -8.87 3.45 3.38 -1.91 -3.44 115.31 109.29 2ati h LEU 430 Ca -0.51 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 56.83 2ati h LEU 430 Cb 1.30 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.84 2ati h LEU 430 CO 0.57 0.00 -0.64 -0.63 0.09 0.00 0.00 178.44 177.83 2ati s ILE 431 N -3.16 4.10 -0.31 1.22 -1.09 -1.26 0.06 121.20 120.75 2ati s ILE 431 Ca 0.09 -0.28 -0.17 0.00 -2.23 0.00 0.00 60.65 58.07 2ati s ILE 431 Cb 0.10 -2.82 -0.02 0.00 -1.58 0.00 0.00 42.46 38.14 2ati s ILE 431 CO 0.61 0.47 0.45 -1.61 -1.23 0.00 0.00 174.94 173.63 2ati s GLU 432 N 0.51 3.78 0.00 2.79 2.02 0.76 -4.96 118.70 123.59 2ati s GLU 432 Ca -0.01 -0.09 0.28 0.00 0.02 0.00 0.00 54.97 55.16 2ati s GLU 432 Cb -0.14 -3.75 0.99 0.00 0.10 0.00 0.00 34.13 31.34 2ati s GLU 432 CO 0.02 -0.48 1.75 0.39 0.02 0.00 0.00 175.26 176.96 2ati n GLU 433 N 5.54 0.07 -1.85 1.61 4.71 -1.26 -2.15 120.64 127.30 2ati n GLU 433 Ca -0.06 -0.02 -0.39 0.00 -0.01 0.00 0.00 57.16 56.67 2ati n GLU 433 Cb 0.50 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.40 2ati n GLU 433 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 2ati s GLU 434 N -2.95 2.72 7.50 3.49 8.01 -1.26 -4.69 118.70 131.53 2ati s GLU 434 Ca 0.15 1.19 0.00 0.00 0.01 0.00 0.00 54.97 56.31 2ati s GLU 434 Cb 0.19 -4.39 0.00 0.00 -4.31 0.00 0.00 34.13 25.61 2ati s GLU 434 CO 0.58 -2.59 0.00 0.41 0.01 0.00 0.00 175.26 173.67 2ati n GLY 435 N 5.72 2.43 3.63 -1.39 0.00 -1.26 -4.58 105.19 109.74 2ati n GLY 435 Ca 0.26 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 2ati n GLY 435 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ati s SER 436 N -4.00 6.68 0.12 1.61 0.15 -1.26 -5.00 113.70 111.99 2ati s SER 436 Ca 0.00 0.84 -0.33 0.00 0.70 0.00 0.00 55.95 57.16 2ati s SER 436 Cb 0.00 -2.38 -0.12 0.00 -1.71 0.00 0.00 66.02 61.81 2ati s SER 436 CO 0.00 -0.43 1.72 0.29 1.20 0.00 0.00 173.24 176.02 2ati n LYS 437 N 5.84 2.43 -4.29 5.44 5.02 -1.26 -4.94 118.16 126.40 2ati n LYS 437 Ca 0.02 0.88 -0.22 0.00 -2.02 0.00 0.00 58.31 56.98 2ati n LYS 437 Cb 0.48 -2.71 -0.12 0.00 -0.02 0.00 0.00 35.03 32.67 2ati n LYS 437 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2ati s ARG 438 N 2.00 1.16 -0.25 1.97 0.52 -0.91 -1.31 118.95 122.13 2ati s ARG 438 Ca 0.81 -1.28 -0.12 0.00 -0.52 0.00 0.00 55.73 54.63 2ati s ARG 438 Cb -0.60 -1.24 -0.05 0.00 0.52 0.00 0.00 34.95 33.58 2ati s ARG 438 CO 0.39 0.26 0.23 0.42 0.02 0.00 0.00 175.30 176.63 2ati s ILE 439 N -1.76 5.30 -0.68 1.52 1.01 0.99 -0.17 121.20 127.41 2ati s ILE 439 Ca 0.11 0.31 -0.25 0.00 0.00 0.00 0.00 60.65 60.82 2ati s ILE 439 Cb -0.07 -3.57 0.05 0.00 0.01 0.00 0.00 42.46 38.88 2ati s ILE 439 CO 0.05 0.28 1.11 0.21 0.00 0.00 0.00 174.94 176.60 2ati s ASN 440 N 1.29 6.20 0.51 3.58 3.84 0.11 -2.44 114.94 128.03 2ati s ASN 440 Ca 0.10 -0.62 0.24 0.00 0.21 0.00 0.00 52.86 52.79 2ati s ASN 440 Cb -0.15 -2.49 1.38 0.00 -0.55 0.00 0.00 41.25 39.45 2ati s ASN 440 CO 0.07 -1.59 2.09 0.24 -2.79 0.00 0.00 177.10 175.12 2ati h MET 441 N 9.74 0.00 -0.42 0.43 2.86 -1.76 -2.68 114.93 123.10 2ati h MET 441 Ca -0.28 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.21 2ati h MET 441 Cb 1.06 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.71 2ati h MET 441 CO 1.21 0.11 -0.32 0.00 1.06 0.00 0.00 176.91 178.97 2ati h ALA 442 N 1.89 0.63 -0.31 6.32 0.00 -1.90 -1.62 119.26 124.27 2ati h ALA 442 Ca -0.00 -0.43 -0.11 0.00 0.00 0.00 0.00 54.91 54.37 2ati h ALA 442 Cb 0.25 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2ati h ALA 442 CO 0.01 0.68 -0.27 0.45 0.00 0.00 0.00 179.25 180.12 2ati h HIS 443 N 0.79 0.71 -0.62 0.00 3.86 -1.86 -1.92 115.15 116.11 2ati h HIS 443 Ca 0.08 -0.17 -0.07 0.00 -1.16 0.00 0.00 60.37 59.06 2ati h HIS 443 Cb 0.91 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 29.18 2ati h HIS 443 CO 0.06 0.83 0.13 1.25 0.86 0.00 0.00 177.93 181.06 2ati h LEU 444 N 0.54 0.96 -0.70 2.43 5.85 -1.30 -2.67 115.31 120.42 2ati h LEU 444 Ca 0.07 -0.25 -0.06 0.00 0.84 0.00 0.00 57.88 58.48 2ati h LEU 444 Cb 0.74 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 2ati h LEU 444 CO 0.06 0.96 0.19 0.00 -0.34 0.00 0.00 178.44 179.31 2ati h ILE 446 N 1.05 1.23 0.00 0.00 2.04 -1.22 -2.51 117.51 118.10 2ati h ILE 446 Ca 0.22 -0.73 -0.09 0.00 1.00 0.00 0.00 64.86 65.26 2ati h ILE 446 Cb 0.34 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 2ati h ILE 446 CO -0.00 0.21 -0.43 -0.37 0.00 0.00 0.00 178.15 177.56 2ati h VAL 447 N -0.05 1.23 -0.12 1.67 -1.51 -1.46 -3.03 116.25 112.99 2ati h VAL 447 Ca 0.03 -1.52 0.00 0.00 -1.23 0.00 0.00 66.70 63.98 2ati h VAL 447 Cb 0.31 1.84 0.00 0.00 -2.13 0.00 0.00 31.29 31.31 2ati h VAL 447 CO 0.00 0.42 0.00 0.61 -1.23 0.00 0.00 177.57 177.38 2ati n GLY 448 N -0.17 0.43 3.52 5.19 0.00 -0.80 -4.91 105.19 108.45 2ati n GLY 448 Ca -0.01 -0.50 -0.25 0.00 0.00 0.00 0.00 46.02 45.26 2ati n GLY 448 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ati s SER 449 N -1.78 3.91 0.06 1.61 0.01 -0.95 -3.81 113.70 112.76 2ati s SER 449 Ca 0.35 -0.82 0.22 0.00 1.31 0.00 0.00 55.95 57.01 2ati s SER 449 Cb 0.20 -0.50 -0.20 0.00 0.21 0.00 0.00 66.02 65.72 2ati s SER 449 CO 0.30 0.06 0.71 0.00 0.41 0.00 0.00 173.24 174.72 2ati n HIS 450 N -0.37 0.40 -4.00 2.43 1.44 -0.66 -4.93 115.22 109.53 2ati n HIS 450 Ca -0.08 0.12 -0.14 0.00 -2.01 0.00 0.00 57.72 55.60 2ati n HIS 450 Cb 0.58 -0.69 -0.14 0.00 0.12 0.00 0.00 29.99 29.86 2ati n HIS 450 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2ati s ALA 451 N -3.46 0.22 -0.03 1.59 0.00 -1.26 -4.49 121.76 114.33 2ati s ALA 451 Ca -0.05 -0.07 0.03 0.00 0.00 0.00 0.00 51.96 51.87 2ati s ALA 451 Cb 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.16 2ati s ALA 451 CO 0.86 0.04 -0.12 0.08 0.00 0.00 0.00 175.76 176.61 2ati s VAL 452 N 0.07 1.06 0.04 0.00 1.01 -0.39 -1.18 120.40 121.01 2ati s VAL 452 Ca -0.00 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.48 2ati s VAL 452 Cb -0.02 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 2ati s VAL 452 CO -0.00 0.32 -0.06 0.54 0.00 0.00 0.00 175.10 175.90 2ati s ASN 453 N 0.14 0.62 0.53 3.32 4.22 -0.12 -0.13 114.94 123.51 2ati s ASN 453 Ca -0.04 -0.59 0.09 0.00 -2.14 0.00 0.00 52.86 50.19 2ati s ASN 453 Cb -0.10 0.07 0.06 0.00 1.28 0.00 0.00 41.25 42.57 2ati s ASN 453 CO 0.01 -0.28 0.72 -0.83 -2.04 0.00 0.00 177.10 174.68 2ati s GLY 454 N -1.71 1.80 0.00 0.45 0.00 -1.12 -0.32 107.32 106.42 2ati s GLY 454 Ca -0.10 -2.00 0.14 0.00 0.00 0.00 0.00 44.72 42.76 2ati s GLY 454 CO -0.01 -1.63 1.15 3.33 0.00 0.00 0.00 173.10 175.94 2ati n VAL 455 N -2.12 0.51 -3.47 1.40 0.24 -1.25 -2.62 118.33 111.01 2ati n VAL 455 Ca 0.13 -0.75 -0.14 0.00 -2.04 0.00 0.00 64.34 61.54 2ati n VAL 455 Cb 0.61 0.90 -0.04 0.00 -1.47 0.00 0.00 33.84 33.84 2ati n VAL 455 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ati s ALA 456 N -1.11 -1.69 0.27 2.33 0.00 -1.26 -1.05 121.76 119.26 2ati s ALA 456 Ca 0.24 0.90 0.00 0.00 0.00 0.00 0.00 51.96 53.10 2ati s ALA 456 Cb 0.14 0.44 0.53 0.00 0.00 0.00 0.00 23.12 24.23 2ati s ALA 456 CO 0.19 -0.58 1.82 0.87 0.00 0.00 0.00 175.76 178.06 2ati h LYS 457 N 2.44 0.88 -0.09 0.00 1.57 -1.90 -0.23 116.57 119.25 2ati h LYS 457 Ca -0.30 -0.05 -0.19 0.00 -1.87 0.00 0.00 60.65 58.24 2ati h LYS 457 Cb 1.23 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 33.34 2ati h LYS 457 CO 0.38 0.58 -0.75 0.97 -0.57 0.00 0.00 179.45 180.07 2ati h ILE 458 N 0.91 1.36 -0.04 1.86 2.10 -1.91 -2.89 117.51 118.90 2ati h ILE 458 Ca 0.48 -2.12 -0.02 0.00 1.08 0.00 0.00 64.86 64.27 2ati h ILE 458 Cb 0.51 2.10 -0.00 0.00 -1.09 0.00 0.00 36.82 38.34 2ati h ILE 458 CO -0.28 0.64 -0.07 -0.74 -1.08 0.00 0.00 178.15 176.63 2ati h HIS 459 N 0.32 0.15 -0.13 2.19 2.76 -1.67 -2.82 115.15 115.95 2ati h HIS 459 Ca -0.04 -0.05 0.01 0.00 -2.20 0.00 0.00 60.37 58.09 2ati h HIS 459 Cb 1.33 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 30.26 2ati h HIS 459 CO 0.05 0.64 0.09 0.77 -1.30 0.00 0.00 177.93 178.18 2ati h SER 460 N -0.38 0.12 -0.15 3.26 0.02 -1.12 -0.14 113.55 115.15 2ati h SER 460 Ca 0.00 -0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 2ati h SER 460 Cb 0.62 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.13 2ati h SER 460 CO 0.02 0.09 -0.16 -0.78 -1.14 0.00 0.00 176.83 174.86 2ati h ASP 461 N 0.14 0.40 0.06 3.07 3.58 -1.49 -1.64 116.42 120.55 2ati h ASP 461 Ca 0.05 -0.48 -0.10 0.00 0.42 0.00 0.00 57.03 56.93 2ati h ASP 461 Cb 0.04 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 2ati h ASP 461 CO -0.01 0.80 -0.30 0.40 -2.88 0.00 0.00 179.24 177.25 2ati h ILE 462 N 0.01 1.27 -0.37 2.25 2.04 -1.12 0.34 117.51 121.93 2ati h ILE 462 Ca 0.02 -1.31 -0.11 0.00 1.00 0.00 0.00 64.86 64.46 2ati h ILE 462 Cb 0.69 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 2ati h ILE 462 CO 0.04 0.40 -0.19 0.58 0.00 0.00 0.00 178.15 178.98 2ati h VAL 463 N 0.32 1.28 0.17 1.67 2.07 -1.03 0.15 116.25 120.89 2ati h VAL 463 Ca 0.04 -1.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.23 2ati h VAL 463 Cb 0.69 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 2ati h VAL 463 CO 0.05 0.44 -0.08 0.50 0.02 0.00 0.00 177.57 178.50 2ati h LYS 464 N 0.59 -0.22 0.00 1.57 3.64 -0.98 -1.59 116.57 119.58 2ati h LYS 464 Ca 0.08 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.42 2ati h LYS 464 Cb 0.74 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 2ati h LYS 464 CO 0.06 -0.08 -0.36 1.79 -2.27 0.00 0.00 179.45 178.58 2ati h THR 465 N -1.05 0.42 0.00 1.00 1.35 -0.48 -3.20 112.91 110.95 2ati h THR 465 Ca -0.02 -1.60 0.00 0.00 -0.55 0.00 0.00 66.41 64.24 2ati h THR 465 Cb 0.24 2.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 2ati h THR 465 CO 0.04 0.24 -0.04 0.29 -0.25 0.00 0.00 175.52 175.79 2ati n LYS 466 N -3.12 0.02 -0.03 4.72 4.01 -0.79 -4.55 118.16 118.43 2ati n LYS 466 Ca 0.02 0.01 -0.09 0.00 -0.51 0.00 0.00 58.31 57.74 2ati n LYS 466 Cb 0.64 -0.23 -0.03 0.00 -0.51 0.00 0.00 35.03 34.90 2ati n LYS 466 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2ati h VAL 467 N -0.04 0.90 -1.38 -0.18 2.07 -1.14 -3.18 116.25 113.30 2ati h VAL 467 Ca 0.00 -0.03 -0.59 0.00 0.82 0.00 0.00 66.70 66.90 2ati h VAL 467 Cb 0.04 0.82 -0.41 0.00 -1.52 0.00 0.00 31.29 30.22 2ati h VAL 467 CO 0.00 0.01 -0.65 0.49 0.02 0.00 0.00 177.57 177.45 2ati n PHE 468 N -5.11 3.26 -0.16 1.57 3.01 -0.60 -4.84 117.46 114.60 2ati n PHE 468 Ca -0.03 -2.90 -0.06 0.00 1.01 0.00 0.00 57.45 55.47 2ati n PHE 468 Cb 0.09 -0.20 0.03 0.00 -0.01 0.00 0.00 39.48 39.38 2ati n PHE 468 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 2ati h LYS 469 N 2.51 0.57 0.00 -1.08 3.64 -1.54 -2.32 116.57 118.35 2ati h LYS 469 Ca 0.33 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.66 2ati h LYS 469 Cb 1.00 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.69 2ati h LYS 469 CO 0.87 0.38 -0.06 -0.44 -2.27 0.00 0.00 179.45 177.93 2ati h ASP 470 N 0.59 0.00 0.19 4.20 3.32 -1.88 -2.21 116.42 120.63 2ati h ASP 470 Ca 0.19 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.91 2ati h ASP 470 Cb 0.00 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.57 2ati h ASP 470 CO -0.08 0.06 -1.57 -0.26 -1.72 0.00 0.00 179.24 175.66 2ati h PHE 471 N 0.00 0.75 0.00 4.55 -1.00 -1.84 -3.35 116.94 116.05 2ati h PHE 471 Ca -0.00 -0.55 -0.05 0.00 2.81 0.00 0.00 57.97 60.18 2ati h PHE 471 Cb 0.11 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.64 2ati h PHE 471 CO 0.00 1.61 -0.25 0.66 -1.61 0.00 0.00 178.31 178.72 2ati h SER 472 N 0.03 0.00 0.25 2.17 4.64 -1.15 -2.54 113.55 116.95 2ati h SER 472 Ca -0.30 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.89 2ati h SER 472 Cb 2.04 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.12 2ati h SER 472 CO 0.19 0.25 -0.47 -0.33 -0.87 0.00 0.00 176.83 175.59 2ati h GLU 473 N 0.00 0.27 0.14 4.77 5.08 -1.54 -2.38 114.58 120.91 2ati h GLU 473 Ca -0.00 -0.14 -0.29 0.00 -1.00 0.00 0.00 59.36 57.92 2ati h GLU 473 Cb 0.62 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.88 2ati h GLU 473 CO 0.03 0.69 -1.37 -0.07 -1.00 0.00 0.00 179.01 177.29 2ati h LEU 474 N 0.22 0.46 -6.40 1.33 4.07 -1.64 -3.42 115.31 109.93 2ati h LEU 474 Ca 0.01 -0.54 -0.53 0.00 0.08 0.00 0.00 57.88 56.90 2ati h LEU 474 Cb 0.92 -0.15 -0.36 0.00 1.08 0.00 0.00 40.66 42.15 2ati h LEU 474 CO 0.07 1.43 -0.85 -1.83 -1.08 0.00 0.00 178.44 176.18 2ati s GLU 475 N -2.64 0.71 0.26 1.13 -1.05 -0.97 -5.02 118.70 111.11 2ati s GLU 475 Ca -0.06 -1.51 -0.03 0.00 -0.15 0.00 0.00 54.97 53.21 2ati s GLU 475 Cb 0.07 -1.19 0.32 0.00 -0.44 0.00 0.00 34.13 32.89 2ati s GLU 475 CO 0.88 -1.28 1.80 -1.35 0.95 0.00 0.00 175.26 176.27 2ati h PRO 476 N 6.46 0.94 0.00 -4.83 0.11 -1.70 -3.11 132.00 129.87 2ati h PRO 476 Ca 0.13 -0.19 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2ati h PRO 476 Cb 0.97 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.94 2ati h PRO 476 CO 0.28 0.82 0.00 -0.25 -0.21 0.00 0.00 178.00 178.64 2ati n ASP 477 N -4.27 0.67 -0.00 -2.05 8.00 -1.26 -3.14 116.55 114.49 2ati n ASP 477 Ca 0.05 0.70 -0.17 0.00 0.71 0.00 0.00 54.79 56.08 2ati n ASP 477 Cb 0.22 -0.83 -0.10 0.00 -0.02 0.00 0.00 41.12 40.39 2ati n ASP 477 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 2ati h LYS 478 N 0.00 0.44 -6.20 -1.24 3.64 -1.77 -3.45 116.57 108.00 2ati h LYS 478 Ca 0.00 -0.44 -0.57 0.00 -1.27 0.00 0.00 60.65 58.38 2ati h LYS 478 Cb 0.26 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.15 2ati h LYS 478 CO 0.00 1.09 0.63 -0.06 -2.27 0.00 0.00 179.45 178.84 2ati s PHE 479 N -3.34 3.46 0.40 1.91 0.40 -1.19 -1.27 117.98 118.36 2ati s PHE 479 Ca -0.13 1.55 0.04 0.00 -0.60 0.00 0.00 56.93 57.79 2ati s PHE 479 Cb 0.04 -3.21 -0.02 0.00 0.51 0.00 0.00 43.02 40.34 2ati s PHE 479 CO 0.82 -0.30 0.16 -0.65 0.70 0.00 0.00 175.22 175.95 2ati s GLN 480 N 2.36 1.92 0.00 0.44 -0.21 0.81 -4.96 119.66 120.02 2ati s GLN 480 Ca 0.47 -2.17 0.07 0.00 0.02 0.00 0.00 55.36 53.74 2ati s GLN 480 Cb -0.17 -0.45 -0.02 0.00 1.00 0.00 0.00 33.01 33.37 2ati s GLN 480 CO 0.14 -0.52 -0.21 1.21 -2.12 0.00 0.00 175.29 173.79 2ati s ASN 481 N -3.58 2.43 -0.39 5.90 3.04 -1.26 -2.77 114.94 118.31 2ati s ASN 481 Ca 0.26 -0.41 0.03 0.00 0.04 0.00 0.00 52.86 52.77 2ati s ASN 481 Cb 0.02 -0.25 0.16 0.00 -1.54 0.00 0.00 41.25 39.64 2ati s ASN 481 CO 0.17 0.23 0.36 -0.54 -3.04 0.00 0.00 177.10 174.28 2ati s LYS 482 N -0.67 0.73 0.19 0.43 -0.14 -1.08 -4.94 119.74 114.27 2ati s LYS 482 Ca 0.08 -1.33 -0.32 0.00 -1.36 0.00 0.00 55.97 53.03 2ati s LYS 482 Cb -0.08 -0.98 -0.12 0.00 -1.68 0.00 0.00 37.83 34.97 2ati s LYS 482 CO -0.00 -1.27 1.71 2.41 -0.76 0.00 0.00 175.35 177.44 2ati n THR 483 N 3.69 0.03 -0.67 2.17 -1.04 -1.26 -4.32 114.28 112.88 2ati n THR 483 Ca 0.17 -0.01 -0.31 0.00 -2.04 0.00 0.00 64.05 61.86 2ati n THR 483 Cb 0.45 -1.91 0.17 0.00 -1.82 0.00 0.00 70.33 67.22 2ati n THR 483 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2ati n ASN 484 N 4.02 -1.36 -3.61 8.00 3.02 -0.21 -4.67 115.26 120.46 2ati n ASN 484 Ca 0.16 0.17 -0.10 0.00 -0.03 0.00 0.00 54.58 54.78 2ati n ASN 484 Cb 0.34 -1.25 -0.04 0.00 -0.61 0.00 0.00 39.78 38.22 2ati n ASN 484 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2ati s GLY 485 N -2.25 0.74 0.04 7.41 0.00 -1.26 -4.78 107.32 107.22 2ati s GLY 485 Ca 0.62 -1.00 0.03 0.00 0.00 0.00 0.00 44.72 44.37 2ati s GLY 485 CO 0.64 -0.65 -0.09 -0.26 0.00 0.00 0.00 173.10 172.74 2ati s ILE 486 N -3.47 0.69 -0.03 0.90 -4.36 0.11 -4.54 121.20 110.50 2ati s ILE 486 Ca 0.23 -0.96 -0.30 0.00 -0.26 0.00 0.00 60.65 59.36 2ati s ILE 486 Cb -0.02 -0.70 -0.04 0.00 1.25 0.00 0.00 42.46 42.96 2ati s ILE 486 CO 0.12 -0.22 1.21 0.28 0.24 0.00 0.00 174.94 176.57 2ati s THR 487 N -1.07 4.20 -2.00 8.37 -1.32 -1.26 -1.38 115.64 121.18 2ati s THR 487 Ca -0.05 1.54 0.20 0.00 -1.21 0.00 0.00 61.69 62.17 2ati s THR 487 Cb -0.08 -3.99 0.56 0.00 -1.51 0.00 0.00 72.50 67.48 2ati s THR 487 CO 0.01 0.03 1.60 -0.81 -2.21 0.00 0.00 174.62 173.23 2ati n PRO 488 N 4.93 0.72 -0.01 7.08 -0.04 -1.26 -1.71 135.00 144.71 2ati n PRO 488 Ca 0.11 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2ati n PRO 488 Cb 0.46 -1.42 -0.00 0.00 -0.04 0.00 0.00 33.50 32.50 2ati n PRO 488 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ati h ARG 489 N 0.00 0.00 -0.58 0.54 -0.00 -1.90 -2.56 114.38 109.88 2ati h ARG 489 Ca 0.00 0.00 -0.09 0.00 -0.50 0.00 0.00 59.98 59.39 2ati h ARG 489 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 29.95 2ati h ARG 489 CO 0.00 0.00 -0.01 -0.09 0.00 0.00 0.00 179.97 179.87 2ati h ARG 490 N -0.22 1.01 -0.58 0.04 2.43 -1.96 0.09 114.38 115.18 2ati h ARG 490 Ca 0.00 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 2ati h ARG 490 Cb 0.00 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 2ati h ARG 490 CO 0.00 0.99 0.00 0.91 -1.51 0.00 0.00 179.97 180.36 2ati n TRP 491 N -4.18 0.76 0.04 2.20 7.02 -0.69 -2.52 117.44 120.07 2ati n TRP 491 Ca 0.03 -0.30 0.00 0.00 -1.02 0.00 0.00 57.50 56.21 2ati n TRP 491 Cb 0.34 -0.15 0.00 0.00 -2.42 0.00 0.00 31.31 29.08 2ati n TRP 491 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 2ati n LEU 492 N 0.45 -0.52 -0.32 -0.99 7.94 -1.16 -4.77 117.00 117.62 2ati n LEU 492 Ca 0.13 0.14 0.05 0.00 -1.11 0.00 0.00 56.01 55.23 2ati n LEU 492 Cb 0.52 0.76 0.25 0.00 0.53 0.00 0.00 43.42 45.47 2ati n LEU 492 CO 0.12 -0.42 1.25 -0.07 -1.11 0.00 0.00 177.39 177.15 2ati h LEU 493 N 0.00 0.91 0.00 -1.96 3.38 -0.96 0.11 115.31 116.78 2ati h LEU 493 Ca 0.00 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2ati h LEU 493 Cb 0.00 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 2ati h LEU 493 CO 0.00 0.55 -0.10 0.25 0.09 0.00 0.00 178.44 179.23 2ati h LEU 494 N 1.01 0.00 -1.12 1.67 6.46 -1.12 -3.31 115.31 118.90 2ati h LEU 494 Ca 0.43 -0.02 -0.08 0.00 -0.12 0.00 0.00 57.88 58.09 2ati h LEU 494 Cb 0.32 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.24 2ati h LEU 494 CO -0.18 0.56 -0.37 0.00 -0.62 0.00 0.00 178.44 177.82 2ati n ASN 496 N -3.71 1.37 0.07 0.00 2.85 0.36 -4.82 115.26 111.37 2ati n ASN 496 Ca -0.01 -2.97 0.11 0.00 -0.11 0.00 0.00 54.58 51.60 2ati n ASN 496 Cb 0.46 -0.64 0.58 0.00 1.24 0.00 0.00 39.78 41.42 2ati n ASN 496 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2ati h PRO 497 N 3.83 0.19 -0.32 1.20 0.13 -1.66 -1.72 132.00 133.65 2ati h PRO 497 Ca 0.11 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.20 2ati h PRO 497 Cb 0.82 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 2ati h PRO 497 CO 0.58 0.13 0.12 0.78 -0.23 0.00 0.00 178.00 179.37 2ati h GLY 498 N 0.20 0.53 1.09 1.56 0.00 -1.91 0.30 103.07 104.83 2ati h GLY 498 Ca 0.16 -0.30 -0.18 0.00 0.00 0.00 0.00 47.33 47.01 2ati h GLY 498 CO -0.03 0.28 -0.54 -2.00 0.00 0.00 0.00 176.54 174.26 2ati h LEU 499 N 0.37 0.90 -0.98 3.11 5.85 -1.81 -1.95 115.31 120.80 2ati h LEU 499 Ca 0.11 -0.55 0.01 0.00 0.84 0.00 0.00 57.88 58.28 2ati h LEU 499 Cb 0.21 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 2ati h LEU 499 CO -0.01 1.29 0.65 0.00 -0.34 0.00 0.00 178.44 180.03 2ati h ALA 500 N 0.64 1.24 -0.30 1.25 0.00 -1.21 -0.30 119.26 120.58 2ati h ALA 500 Ca 0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2ati h ALA 500 Cb 1.15 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2ati h ALA 500 CO 0.12 0.63 -0.10 1.49 0.00 0.00 0.00 179.25 181.39 2ati h GLU 501 N 1.32 0.59 -0.76 0.00 4.81 -0.87 -1.25 114.58 118.42 2ati h GLU 501 Ca 0.36 -0.24 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 2ati h GLU 501 Cb -0.15 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.17 2ati h GLU 501 CO -0.08 0.80 0.35 1.25 -0.73 0.00 0.00 179.01 180.60 2ati h LEU 502 N 0.35 1.00 -0.27 1.64 6.46 -0.82 -0.71 115.31 122.95 2ati h LEU 502 Ca 0.07 -0.14 -0.07 0.00 -0.12 0.00 0.00 57.88 57.62 2ati h LEU 502 Cb 0.60 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.26 2ati h LEU 502 CO 0.03 0.86 -0.10 0.40 -0.62 0.00 0.00 178.44 179.02 2ati h ILE 503 N 1.07 1.29 -0.54 4.05 2.04 -0.99 -3.17 117.51 121.26 2ati h ILE 503 Ca 0.26 -1.16 -0.04 0.00 1.00 0.00 0.00 64.86 64.92 2ati h ILE 503 Cb 0.13 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 2ati h ILE 503 CO -0.03 0.37 0.18 0.00 0.00 0.00 0.00 178.15 178.66 2ati h ALA 504 N 0.76 1.30 0.00 1.87 0.00 -0.91 -1.29 119.26 120.99 2ati h ALA 504 Ca 0.07 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2ati h ALA 504 Cb 0.59 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2ati h ALA 504 CO 0.03 0.51 -0.22 0.93 0.00 0.00 0.00 179.25 180.50 2ati h GLU 505 N 0.78 0.00 0.03 0.00 5.08 -1.13 -0.90 114.58 118.44 2ati h GLU 505 Ca 0.18 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 58.16 2ati h GLU 505 Cb 0.21 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 2ati h GLU 505 CO -0.01 0.22 -2.23 1.63 -1.00 0.00 0.00 179.01 177.61 2ati n LYS 506 N -3.90 0.66 -0.04 2.33 4.76 -1.00 -4.73 118.16 116.24 2ati n LYS 506 Ca -0.02 0.25 0.02 0.00 -2.87 0.00 0.00 58.31 55.69 2ati n LYS 506 Cb 0.31 -1.59 0.04 0.00 -1.84 0.00 0.00 35.03 31.95 2ati n LYS 506 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 2ati n ILE 507 N -3.66 0.75 0.00 -0.18 -5.35 -0.52 -5.13 119.36 105.27 2ati n ILE 507 Ca -0.43 -0.87 0.00 0.00 -0.27 0.00 0.00 62.75 61.18 2ati n ILE 507 Cb 0.95 0.64 0.00 0.00 -1.74 0.00 0.00 39.64 39.49 2ati n ILE 507 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2ati n GLY 508 N -0.11 -0.86 0.98 3.28 0.00 -0.34 -4.66 105.19 103.47 2ati n GLY 508 Ca 0.03 -1.68 0.10 0.00 0.00 0.00 0.00 46.02 44.47 2ati n GLY 508 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2ati n GLU 509 N -0.91 2.26 0.31 1.61 0.28 -1.26 -4.27 120.64 118.66 2ati n GLU 509 Ca 0.00 -1.92 0.19 0.00 -0.16 0.00 0.00 57.16 55.27 2ati n GLU 509 Cb 0.00 -1.46 1.01 0.00 1.43 0.00 0.00 31.44 32.42 2ati n GLU 509 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 2ati h ASP 510 N 3.48 0.00 0.15 -1.84 3.45 -1.95 -2.94 116.42 116.77 2ati h ASP 510 Ca 0.00 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.44 2ati h ASP 510 Cb 0.78 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.55 2ati h ASP 510 CO 0.00 0.02 -0.10 0.10 -1.57 0.00 0.00 179.24 177.69 2ati h TYR 511 N 0.00 0.00 -0.74 4.55 -0.00 -1.77 -2.70 116.97 116.31 2ati h TYR 511 Ca -0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.73 58.69 2ati h TYR 511 Cb 0.16 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 36.85 2ati h TYR 511 CO 0.00 0.10 0.31 0.28 -0.00 0.00 0.00 178.16 178.84 2ati h VAL 512 N 0.00 1.24 0.00 -0.90 2.07 -1.88 -2.09 116.25 114.70 2ati h VAL 512 Ca -0.00 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.77 2ati h VAL 512 Cb 0.20 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 2ati h VAL 512 CO 0.01 0.31 -0.88 0.29 0.02 0.00 0.00 177.57 177.33 2ati n LYS 513 N -4.30 0.28 -3.36 1.57 5.02 -1.14 -4.62 118.16 111.61 2ati n LYS 513 Ca 0.07 0.03 -0.17 0.00 -2.02 0.00 0.00 58.31 56.21 2ati n LYS 513 Cb 0.17 -1.62 -0.08 0.00 -0.02 0.00 0.00 35.03 33.48 2ati n LYS 513 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2ati s ASP 514 N -3.98 1.22 0.14 4.39 3.68 -1.03 -5.02 116.67 116.06 2ati s ASP 514 Ca 0.05 -1.62 0.16 0.00 2.13 0.00 0.00 52.55 53.26 2ati s ASP 514 Cb 0.14 0.53 0.71 0.00 -1.45 0.00 0.00 42.92 42.85 2ati s ASP 514 CO 0.77 -0.26 1.49 -0.11 0.13 0.00 0.00 175.17 177.19 2ati n LEU 515 N 4.21 0.31 0.05 -1.34 7.94 -0.80 -2.34 117.00 125.03 2ati n LEU 515 Ca 0.11 0.60 0.08 0.00 -1.11 0.00 0.00 56.01 55.69 2ati n LEU 515 Cb 0.45 -0.58 0.36 0.00 0.53 0.00 0.00 43.42 44.18 2ati n LEU 515 CO 0.09 -0.52 0.76 -1.54 -1.11 0.00 0.00 177.39 175.07 2ati n SER 516 N -1.86 0.24 0.02 1.96 3.41 -1.26 -1.83 113.62 114.30 2ati n SER 516 Ca 0.02 0.56 0.09 0.00 -0.26 0.00 0.00 58.87 59.29 2ati n SER 516 Cb 0.13 -0.61 0.41 0.00 -0.26 0.00 0.00 64.21 63.88 2ati n SER 516 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ati n GLN 517 N -1.77 0.04 0.11 4.33 1.13 -0.99 -2.71 117.38 117.51 2ati n GLN 517 Ca 0.03 0.21 0.10 0.00 -1.94 0.00 0.00 57.00 55.40 2ati n GLN 517 Cb 0.17 -1.56 0.45 0.00 0.11 0.00 0.00 30.24 29.42 2ati n GLN 517 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2ati n LEU 518 N -1.62 0.51 0.29 1.08 4.77 -0.76 -2.21 117.00 119.05 2ati n LEU 518 Ca 0.04 0.65 0.16 0.00 -0.03 0.00 0.00 56.01 56.83 2ati n LEU 518 Cb 0.23 -0.61 0.86 0.00 -2.33 0.00 0.00 43.42 41.57 2ati n LEU 518 CO 0.18 -0.58 1.05 0.71 -1.33 0.00 0.00 177.39 177.42 2ati h THR 519 N 0.00 0.32 0.00 -5.08 1.35 -1.37 -2.04 112.91 106.09 2ati h THR 519 Ca 0.00 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 2ati h THR 519 Cb 0.26 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 2ati h THR 519 CO 0.00 0.06 0.00 0.11 -0.25 0.00 0.00 175.52 175.44 2ati h LYS 520 N 0.00 0.00 0.00 4.72 1.57 -1.71 -2.10 116.57 119.05 2ati h LYS 520 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ati h LYS 520 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2ati h LYS 520 CO 0.01 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.17 2ati n LEU 521 N -2.33 0.00 0.23 2.94 4.77 -0.77 -2.99 117.00 118.86 2ati n LEU 521 Ca 0.01 0.32 0.11 0.00 -0.03 0.00 0.00 56.01 56.41 2ati n LEU 521 Cb 0.19 -0.32 0.51 0.00 -2.33 0.00 0.00 43.42 41.47 2ati n LEU 521 CO 0.18 -0.07 0.83 0.45 -1.33 0.00 0.00 177.39 177.46 2ati h HIS 522 N 0.00 0.00 0.00 -1.77 3.86 -1.58 -2.87 115.15 112.78 2ati h HIS 522 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2ati h HIS 522 Cb 0.25 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.72 2ati h HIS 522 CO 0.00 0.20 0.00 0.43 0.86 0.00 0.00 177.93 179.42 2ati n SER 523 N -3.42 0.12 -1.16 2.45 7.64 -1.16 -3.17 113.62 114.92 2ati n SER 523 Ca -0.00 0.53 0.08 0.00 1.01 0.00 0.00 58.87 60.48 2ati n SER 523 Cb 0.40 -0.55 0.30 0.00 -1.01 0.00 0.00 64.21 63.34 2ati n SER 523 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2ati n PHE 524 N -1.63 1.25 -0.22 1.43 3.01 -1.08 -4.70 117.46 115.52 2ati n PHE 524 Ca 0.04 -0.86 -0.05 0.00 1.01 0.00 0.00 57.45 57.59 2ati n PHE 524 Cb 0.21 -0.37 0.12 0.00 -0.01 0.00 0.00 39.48 39.42 2ati n PHE 524 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 2ati h LEU 525 N 2.33 0.96 -1.49 4.37 3.38 -1.73 -2.55 115.31 120.59 2ati h LEU 525 Ca 0.01 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2ati h LEU 525 Cb 1.60 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.10 2ati h LEU 525 CO 0.30 0.89 0.00 0.61 0.09 0.00 0.00 178.44 180.33 2ati n GLY 526 N -0.85 0.77 3.52 0.83 0.00 -1.26 -4.80 105.19 103.40 2ati n GLY 526 Ca 0.06 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 2ati n GLY 526 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ati s ASP 527 N -1.43 6.25 0.32 1.61 3.68 -0.96 -4.90 116.67 121.24 2ati s ASP 527 Ca 0.33 -0.87 0.01 0.00 2.13 0.00 0.00 52.55 54.15 2ati s ASP 527 Cb 0.18 -2.51 0.53 0.00 -1.45 0.00 0.00 42.92 39.66 2ati s ASP 527 CO 0.26 -1.63 1.91 0.44 0.13 0.00 0.00 175.17 176.28 2ati h ASP 528 N 9.79 0.71 -0.39 -0.34 5.19 -1.87 -2.22 116.42 127.29 2ati h ASP 528 Ca -0.17 -0.08 -0.16 0.00 -0.62 0.00 0.00 57.03 56.00 2ati h ASP 528 Cb 1.05 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 40.37 2ati h ASP 528 CO 1.27 0.64 -0.38 0.58 -3.12 0.00 0.00 179.24 178.22 2ati h VAL 529 N 0.77 1.27 -0.48 -1.35 2.07 -1.97 -2.32 116.25 114.23 2ati h VAL 529 Ca 0.19 -1.56 -0.08 0.00 0.82 0.00 0.00 66.70 66.07 2ati h VAL 529 Cb 0.15 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 2ati h VAL 529 CO -0.02 0.52 -0.01 0.15 0.02 0.00 0.00 177.57 178.23 2ati h PHE 530 N 0.78 0.87 -0.46 1.57 3.57 -1.86 -0.39 116.94 121.01 2ati h PHE 530 Ca 0.06 -0.13 -0.06 0.00 3.53 0.00 0.00 57.97 61.37 2ati h PHE 530 Cb 0.98 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.46 2ati h PHE 530 CO 0.06 0.81 0.03 -0.07 -2.23 0.00 0.00 178.31 176.91 2ati h LEU 531 N 0.75 0.69 -0.55 0.59 3.38 -1.30 0.13 115.31 119.01 2ati h LEU 531 Ca 0.14 -0.15 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 2ati h LEU 531 Cb 0.48 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2ati h LEU 531 CO 0.02 0.74 -0.50 0.03 0.09 0.00 0.00 178.44 178.82 2ati h ARG 532 N 0.69 0.59 -0.04 1.13 3.08 -0.91 -1.57 114.38 117.35 2ati h ARG 532 Ca 0.14 -0.35 -0.11 0.00 0.07 0.00 0.00 59.98 59.73 2ati h ARG 532 Cb 0.38 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 2ati h ARG 532 CO 0.01 0.95 -0.50 0.93 -1.07 0.00 0.00 179.97 180.29 2ati h GLU 533 N 0.46 0.10 -0.18 0.04 5.08 -0.61 -1.47 114.58 118.00 2ati h GLU 533 Ca 0.02 -0.05 -0.21 0.00 -1.00 0.00 0.00 59.36 58.11 2ati h GLU 533 Cb 1.04 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.30 2ati h GLU 533 CO 0.10 0.58 -0.71 1.25 -1.00 0.00 0.00 179.01 179.23 2ati h LEU 534 N 0.08 0.94 -0.76 1.33 5.85 -0.77 -2.83 115.31 119.15 2ati h LEU 534 Ca 0.00 -0.61 -0.12 0.00 0.84 0.00 0.00 57.88 57.99 2ati h LEU 534 Cb 0.91 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 2ati h LEU 534 CO 0.07 1.39 -0.33 0.00 -0.34 0.00 0.00 178.44 179.23 2ati h ALA 535 N 0.57 0.93 -0.36 1.25 0.00 -1.07 -2.85 119.26 117.72 2ati h ALA 535 Ca -0.04 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.34 2ati h ALA 535 Cb 1.34 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2ati h ALA 535 CO 0.15 0.62 -0.30 -0.22 0.00 0.00 0.00 179.25 179.50 2ati h LYS 536 N 0.48 0.78 -0.68 0.00 3.64 -1.28 -0.98 116.57 118.54 2ati h LYS 536 Ca 0.06 -0.36 -0.00 0.00 -1.27 0.00 0.00 60.65 59.07 2ati h LYS 536 Cb 0.81 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.58 2ati h LYS 536 CO 0.07 0.98 0.41 0.28 -2.27 0.00 0.00 179.45 178.92 2ati h VAL 537 N 0.67 1.20 -0.48 2.00 2.07 -1.37 0.20 116.25 120.54 2ati h VAL 537 Ca 0.08 -0.43 -0.09 0.00 0.82 0.00 0.00 66.70 67.07 2ati h VAL 537 Cb 0.83 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 2ati h VAL 537 CO 0.07 0.20 -0.07 0.50 0.02 0.00 0.00 177.57 178.30 2ati h LYS 538 N 0.93 0.89 -0.45 1.57 1.63 -1.30 -2.27 116.57 117.57 2ati h LYS 538 Ca 0.25 -0.32 -0.09 0.00 -0.85 0.00 0.00 60.65 59.63 2ati h LYS 538 Cb -0.03 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.52 2ati h LYS 538 CO -0.05 0.96 -0.10 0.37 -3.45 0.00 0.00 179.45 177.19 2ati h GLN 539 N 0.74 0.81 -0.14 1.90 5.75 -0.73 -0.15 115.11 123.29 2ati h GLN 539 Ca 0.13 -0.27 -0.11 0.00 -0.15 0.00 0.00 58.65 58.26 2ati h GLN 539 Cb 0.60 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.07 2ati h GLN 539 CO 0.04 0.88 -0.37 0.93 -2.65 0.00 0.00 178.83 177.65 2ati h GLU 540 N 0.74 0.31 -0.07 1.69 5.08 -0.85 -0.24 114.58 121.25 2ati h GLU 540 Ca 0.13 -0.14 -0.21 0.00 -1.00 0.00 0.00 59.36 58.13 2ati h GLU 540 Cb 0.58 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2ati h GLU 540 CO 0.04 0.64 -0.83 -0.91 -1.00 0.00 0.00 179.01 176.95 2ati h ASN 541 N 0.26 0.64 -0.08 1.42 2.35 -1.06 -2.02 115.58 117.09 2ati h ASN 541 Ca 0.03 -0.45 -0.12 0.00 -0.55 0.00 0.00 56.30 55.21 2ati h ASN 541 Cb 0.78 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 2ati h ASN 541 CO 0.06 1.23 -0.34 0.11 -1.65 0.00 0.00 177.43 176.84 2ati h LYS 542 N 0.33 0.57 -0.29 0.81 1.57 -0.75 -1.52 116.57 117.29 2ati h LYS 542 Ca -0.06 -0.26 -0.13 0.00 -1.87 0.00 0.00 60.65 58.33 2ati h LYS 542 Cb 1.44 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.74 2ati h LYS 542 CO 0.15 0.84 -0.32 -0.07 -0.57 0.00 0.00 179.45 179.47 2ati h LEU 543 N 0.48 0.78 -0.64 2.94 3.38 -0.99 -0.03 115.31 121.24 2ati h LEU 543 Ca 0.05 -0.48 -0.11 0.00 0.09 0.00 0.00 57.88 57.43 2ati h LEU 543 Cb 0.82 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 2ati h LEU 543 CO 0.07 1.11 -0.12 0.50 0.09 0.00 0.00 178.44 180.09 2ati h LYS 544 N 0.47 0.95 0.00 1.13 3.64 -1.29 -2.32 116.57 119.15 2ati h LYS 544 Ca 0.04 -0.34 -0.18 0.00 -1.27 0.00 0.00 60.65 58.90 2ati h LYS 544 Cb 0.90 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.63 2ati h LYS 544 CO 0.08 1.01 -0.84 0.35 -2.27 0.00 0.00 179.45 177.78 2ati h PHE 545 N 0.85 0.00 -0.03 1.91 3.57 -1.29 -3.15 116.94 118.81 2ati h PHE 545 Ca 0.13 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.57 2ati h PHE 545 Cb 0.66 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 2ati h PHE 545 CO 0.04 0.84 -0.29 0.77 -2.23 0.00 0.00 178.31 177.44 2ati h SER 546 N 0.00 0.05 -0.44 0.41 0.02 -0.72 -0.89 113.55 111.98 2ati h SER 546 Ca -0.01 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.81 2ati h SER 546 Cb 1.54 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 64.05 2ati h SER 546 CO 0.11 0.34 -0.19 1.56 -1.14 0.00 0.00 176.83 177.51 2ati h GLN 547 N 0.05 0.94 -0.42 3.45 4.20 -1.39 -0.96 115.11 120.97 2ati h GLN 547 Ca 0.01 -0.38 -0.05 0.00 0.06 0.00 0.00 58.65 58.29 2ati h GLN 547 Cb 0.54 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 2ati h GLN 547 CO 0.04 1.04 0.07 0.35 -0.67 0.00 0.00 178.83 179.67 2ati h PHE 548 N 0.82 0.74 -0.04 2.96 3.57 -1.33 -1.89 116.94 121.77 2ati h PHE 548 Ca 0.11 -0.10 -0.08 0.00 3.53 0.00 0.00 57.97 61.43 2ati h PHE 548 Cb 0.75 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 2ati h PHE 548 CO 0.05 0.71 -0.36 -0.07 -2.23 0.00 0.00 178.31 176.41 2ati h LEU 549 N 0.56 0.09 0.00 0.59 3.38 -0.96 -1.71 115.31 117.25 2ati h LEU 549 Ca 0.13 -0.03 -0.19 0.00 0.09 0.00 0.00 57.88 57.88 2ati h LEU 549 Cb 0.37 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 2ati h LEU 549 CO 0.01 0.44 -0.94 -0.33 0.09 0.00 0.00 178.44 177.71 2ati h GLU 550 N 0.08 0.00 0.10 1.13 5.08 -1.05 -2.46 114.58 117.47 2ati h GLU 550 Ca 0.01 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.17 2ati h GLU 550 Cb 0.67 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.94 2ati h GLU 550 CO 0.05 0.86 -0.83 1.15 -1.00 0.00 0.00 179.01 179.24 2ati h THR 551 N 0.00 1.45 0.00 1.13 2.02 -1.19 -3.37 112.91 112.95 2ati h THR 551 Ca -0.02 -2.40 -0.23 0.00 0.77 0.00 0.00 66.41 64.53 2ati h THR 551 Cb 1.70 2.96 -0.04 0.00 -1.74 0.00 0.00 68.15 71.03 2ati h THR 551 CO 0.11 0.69 -1.23 -0.33 0.37 0.00 0.00 175.52 175.13 2ati h GLU 552 N -0.20 0.00 -6.41 6.66 4.39 -1.45 -3.46 114.58 114.12 2ati h GLU 552 Ca -0.13 0.00 -0.63 0.00 0.34 0.00 0.00 59.36 58.93 2ati h GLU 552 Cb 1.60 0.00 -0.25 0.00 -0.10 0.00 0.00 28.75 30.00 2ati h GLU 552 CO 0.16 0.78 -0.86 0.71 -1.16 0.00 0.00 179.01 178.64 2ati s TYR 553 N -2.69 2.04 -1.38 4.33 1.51 -0.92 -5.05 117.35 115.19 2ati s TYR 553 Ca -0.01 -0.39 -0.06 0.00 -1.01 0.00 0.00 57.07 55.59 2ati s TYR 553 Cb 0.09 -1.21 0.07 0.00 -0.11 0.00 0.00 41.96 40.81 2ati s TYR 553 CO 0.82 0.13 2.52 1.17 -1.11 0.00 0.00 175.55 179.08 2ati n LYS 554 N 1.70 4.39 -4.30 -0.62 4.81 -1.26 -4.24 118.16 118.62 2ati n LYS 554 Ca -0.17 -3.17 -0.18 0.00 -0.87 0.00 0.00 58.31 53.92 2ati n LYS 554 Cb 0.53 -2.66 -0.14 0.00 0.02 0.00 0.00 35.03 32.77 2ati n LYS 554 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2ati s VAL 555 N -0.44 0.71 -0.30 3.15 1.01 -1.26 -5.13 120.40 118.14 2ati s VAL 555 Ca 0.58 -0.53 -0.18 0.00 0.00 0.00 0.00 61.98 61.85 2ati s VAL 555 Cb 0.19 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.93 2ati s VAL 555 CO -0.09 0.09 0.51 -0.75 0.00 0.00 0.00 175.10 174.87 2ati s LYS 556 N -0.49 3.90 -0.12 2.72 2.47 -1.26 -4.51 119.74 122.46 2ati s LYS 556 Ca 0.01 0.13 -0.16 0.00 -1.56 0.00 0.00 55.97 54.39 2ati s LYS 556 Cb -0.05 -3.71 -0.05 0.00 -1.46 0.00 0.00 37.83 32.57 2ati s LYS 556 CO -0.00 -0.46 0.39 0.42 0.16 0.00 0.00 175.35 175.86 2ati s ILE 557 N 2.34 5.21 -0.30 5.43 -1.09 -1.26 -5.01 121.20 126.53 2ati s ILE 557 Ca 0.20 0.78 -0.28 0.00 -2.23 0.00 0.00 60.65 59.12 2ati s ILE 557 Cb -0.15 -3.73 0.01 0.00 -1.58 0.00 0.00 42.46 37.01 2ati s ILE 557 CO 0.11 0.39 1.01 0.21 -1.23 0.00 0.00 174.94 175.43 2ati s ASN 558 N 0.28 6.91 0.48 3.58 3.84 -1.26 -4.95 114.94 123.82 2ati s ASN 558 Ca 0.22 1.03 0.21 0.00 0.21 0.00 0.00 52.86 54.53 2ati s ASN 558 Cb -0.14 -2.52 1.23 0.00 -0.55 0.00 0.00 41.25 39.27 2ati s ASN 558 CO 0.08 -0.79 2.02 1.55 -2.79 0.00 0.00 177.10 177.17 2ati h PRO 559 N 7.99 0.00 -0.01 0.43 0.13 -1.97 -2.82 132.00 135.75 2ati h PRO 559 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 2ati h PRO 559 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2ati h PRO 559 CO 0.99 0.16 -0.10 -1.13 -0.23 0.00 0.00 178.00 177.70 2ati n SER 560 N -3.93 0.89 -4.81 1.44 3.41 -1.26 -4.92 113.62 104.43 2ati n SER 560 Ca -0.02 -1.01 -0.33 0.00 -0.26 0.00 0.00 58.87 57.25 2ati n SER 560 Cb 0.25 0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 64.20 2ati n SER 560 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2ati s SER 561 N -2.27 6.09 0.01 4.04 1.04 -1.07 -4.91 113.70 116.64 2ati s SER 561 Ca 0.33 1.81 -0.30 0.00 0.48 0.00 0.00 55.95 58.27 2ati s SER 561 Cb 0.20 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.75 2ati s SER 561 CO 0.43 -0.96 1.06 -0.32 0.98 0.00 0.00 173.24 174.43 2ati s MET 562 N -3.83 4.50 -0.63 4.02 1.75 -0.16 -4.81 119.30 120.14 2ati s MET 562 Ca 0.64 1.54 -0.21 0.00 -1.25 0.00 0.00 55.69 56.41 2ati s MET 562 Cb -0.15 -3.43 0.08 0.00 2.84 0.00 0.00 34.83 34.17 2ati s MET 562 CO 0.31 -0.15 0.87 -0.06 -0.65 0.00 0.00 175.02 175.35 2ati s PHE 563 N 1.14 2.79 -0.48 4.11 0.40 -1.26 -0.23 117.98 124.44 2ati s PHE 563 Ca 0.54 -0.66 -0.19 0.00 -0.60 0.00 0.00 56.93 56.02 2ati s PHE 563 Cb -0.24 -4.18 0.05 0.00 0.51 0.00 0.00 43.02 39.16 2ati s PHE 563 CO 0.28 -1.52 0.57 0.34 0.70 0.00 0.00 175.22 175.59 2ati s ASP 564 N 3.62 6.22 -0.08 1.36 -1.08 -0.41 -0.85 116.67 125.46 2ati s ASP 564 Ca 0.19 -0.84 0.04 0.00 -0.52 0.00 0.00 52.55 51.43 2ati s ASP 564 Cb -0.19 -2.27 -0.00 0.00 -1.46 0.00 0.00 42.92 39.00 2ati s ASP 564 CO 0.09 -0.79 -0.22 -0.69 0.52 0.00 0.00 175.17 174.08 2ati s VAL 565 N 2.46 1.89 -0.37 1.11 1.01 0.19 0.34 120.40 127.03 2ati s VAL 565 Ca 0.14 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.19 2ati s VAL 565 Cb -0.19 -1.62 0.11 0.00 0.00 0.00 0.00 36.38 34.68 2ati s VAL 565 CO 0.13 0.52 0.15 -1.58 0.00 0.00 0.00 175.10 174.32 2ati s GLN 566 N 0.19 1.10 -0.16 2.72 0.74 0.21 -1.18 119.66 123.27 2ati s GLN 566 Ca -0.12 -1.61 0.01 0.00 0.05 0.00 0.00 55.36 53.69 2ati s GLN 566 Cb -0.16 -2.38 0.03 0.00 1.10 0.00 0.00 33.01 31.60 2ati s GLN 566 CO 0.06 -1.05 -0.14 0.14 -0.55 0.00 0.00 175.29 173.76 2ati s VAL 567 N 0.97 1.65 -0.08 1.34 -7.23 -1.26 -1.17 120.40 114.62 2ati s VAL 567 Ca 0.13 -0.76 -0.31 0.00 -1.81 0.00 0.00 61.98 59.23 2ati s VAL 567 Cb -0.21 -1.58 0.13 0.00 0.56 0.00 0.00 36.38 35.28 2ati s VAL 567 CO -0.12 0.40 1.39 -1.59 -0.31 0.00 0.00 175.10 174.86 2ati s LYS 568 N 1.44 0.11 0.46 4.82 -2.85 -0.81 -4.99 119.74 117.93 2ati s LYS 568 Ca 0.03 -0.07 -0.25 0.00 -1.00 0.00 0.00 55.97 54.69 2ati s LYS 568 Cb -0.14 0.03 -0.08 0.00 -2.06 0.00 0.00 37.83 35.59 2ati s LYS 568 CO -0.10 -0.05 1.40 1.03 0.10 0.00 0.00 175.35 177.73 2ati s ARG 569 N -2.07 3.64 -0.14 1.78 1.81 -1.26 -3.85 118.95 118.87 2ati s ARG 569 Ca 0.21 2.36 -0.29 0.00 -1.72 0.00 0.00 55.73 56.29 2ati s ARG 569 Cb 0.04 -2.61 -0.01 0.00 -0.45 0.00 0.00 34.95 31.92 2ati s ARG 569 CO -0.05 -0.83 1.13 0.42 -0.68 0.00 0.00 175.30 175.29 2ati s ILE 570 N -1.22 4.50 0.02 1.52 -1.09 -0.48 -4.89 121.20 119.55 2ati s ILE 570 Ca 0.62 1.80 -0.21 0.00 -2.23 0.00 0.00 60.65 60.63 2ati s ILE 570 Cb -0.43 -4.16 0.04 0.00 -1.58 0.00 0.00 42.46 36.34 2ati s ILE 570 CO 0.54 -0.08 0.48 -2.28 -1.23 0.00 0.00 174.94 172.37 2ati s HIS 571 N 2.73 -0.37 0.28 3.97 2.46 -1.26 -4.68 115.29 118.42 2ati s HIS 571 Ca 0.51 0.46 -0.00 0.00 0.47 0.00 0.00 55.06 56.49 2ati s HIS 571 Cb -0.20 0.27 0.41 0.00 -0.13 0.00 0.00 32.58 32.94 2ati s HIS 571 CO 0.15 -0.58 1.80 0.93 -2.47 0.00 0.00 174.74 174.57 2ati h GLU 572 N 3.06 0.72 -0.28 2.88 5.08 -1.95 -2.91 114.58 121.18 2ati h GLU 572 Ca -0.30 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 57.81 2ati h GLU 572 Cb 1.19 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 2ati h GLU 572 CO 0.41 0.73 -0.11 0.10 -1.00 0.00 0.00 179.01 179.14 2ati h TYR 573 N 0.68 0.49 0.00 4.33 -0.00 -1.96 -2.45 116.97 118.06 2ati h TYR 573 Ca 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 58.73 58.80 2ati h TYR 573 Cb 0.40 -0.13 0.00 0.00 0.00 0.00 0.00 36.73 37.00 2ati h TYR 573 CO 0.02 0.56 0.00 1.63 -0.00 0.00 0.00 178.16 180.37 2ati n LYS 574 N -4.22 0.23 -3.60 0.10 5.02 -1.11 -2.70 118.16 111.87 2ati n LYS 574 Ca 0.01 0.25 -0.22 0.00 -2.02 0.00 0.00 58.31 56.33 2ati n LYS 574 Cb 0.30 -1.80 0.05 0.00 -0.02 0.00 0.00 35.03 33.56 2ati n LYS 574 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2ati n ARG 575 N -2.21 -3.94 0.20 1.97 1.74 -0.92 -3.89 116.66 109.60 2ati n ARG 575 Ca 0.05 0.65 0.14 0.00 -0.77 0.00 0.00 57.85 57.92 2ati n ARG 575 Cb 0.37 -5.15 0.61 0.00 -1.02 0.00 0.00 32.46 27.27 2ati n ARG 575 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2ati h GLN 576 N -1.75 0.00 -0.18 5.56 7.50 -1.85 -2.13 115.11 122.26 2ati h GLN 576 Ca -0.62 0.00 -0.19 0.00 0.50 0.00 0.00 58.65 58.34 2ati h GLN 576 Cb 1.35 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.88 2ati h GLN 576 CO 0.52 0.00 -0.65 1.25 -1.50 0.00 0.00 178.83 178.45 2ati h LEU 577 N 0.00 0.79 -1.00 1.46 6.46 -1.90 -2.02 115.31 119.10 2ati h LEU 577 Ca 0.00 -0.47 -0.07 0.00 -0.12 0.00 0.00 57.88 57.23 2ati h LEU 577 Cb 0.36 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.04 2ati h LEU 577 CO 0.00 1.23 0.02 0.25 -0.62 0.00 0.00 178.44 179.32 2ati h LEU 578 N 0.50 0.71 -0.30 2.25 6.46 -1.77 -1.21 115.31 121.95 2ati h LEU 578 Ca -0.02 -0.16 -0.07 0.00 -0.12 0.00 0.00 57.88 57.52 2ati h LEU 578 Cb 1.25 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.98 2ati h LEU 578 CO 0.13 0.76 -0.08 -1.13 -0.62 0.00 0.00 178.44 177.50 2ati h ASN 579 N 0.70 0.59 -0.38 1.25 -0.00 -1.51 -2.86 115.58 113.37 2ati h ASN 579 Ca 0.14 -0.37 -0.01 0.00 -0.00 0.00 0.00 56.30 56.06 2ati h ASN 579 Cb 0.40 -0.16 -0.02 0.00 -0.00 0.00 0.00 38.32 38.54 2ati h ASN 579 CO 0.01 0.83 0.20 0.00 -0.00 0.00 0.00 177.43 178.47 2ati h LEU 581 N 0.59 0.90 -0.78 0.00 3.38 -1.08 -2.63 115.31 115.69 2ati h LEU 581 Ca 0.15 -0.27 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 2ati h LEU 581 Cb 0.06 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2ati h LEU 581 CO -0.02 1.01 -0.49 -0.74 0.09 0.00 0.00 178.44 178.28 2ati h HIS 582 N 0.82 0.36 -0.69 1.13 2.76 -1.12 -1.81 115.15 116.59 2ati h HIS 582 Ca 0.14 -0.11 -0.07 0.00 -2.20 0.00 0.00 60.37 58.12 2ati h HIS 582 Cb 0.60 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.46 2ati h HIS 582 CO 0.04 0.73 0.14 0.28 -1.30 0.00 0.00 177.93 177.82 2ati h VAL 583 N 0.23 1.26 -0.07 5.26 2.07 -1.00 -1.66 116.25 122.34 2ati h VAL 583 Ca 0.01 -1.01 -0.15 0.00 0.82 0.00 0.00 66.70 66.37 2ati h VAL 583 Cb 0.95 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 2ati h VAL 583 CO 0.08 0.38 -0.63 0.40 0.02 0.00 0.00 177.57 177.82 2ati h ILE 584 N 1.06 1.39 -0.42 4.57 2.04 -1.31 -2.28 117.51 122.57 2ati h ILE 584 Ca 0.22 -2.03 -0.07 0.00 1.00 0.00 0.00 64.86 63.98 2ati h ILE 584 Cb 0.41 2.03 -0.02 0.00 -0.74 0.00 0.00 36.82 38.51 2ati h ILE 584 CO 0.01 0.60 0.00 0.74 0.00 0.00 0.00 178.15 179.50 2ati h THR 585 N 0.19 1.26 -0.46 -0.27 2.02 -1.02 -1.71 112.91 112.92 2ati h THR 585 Ca -0.01 -1.03 -0.10 0.00 0.77 0.00 0.00 66.41 66.05 2ati h THR 585 Cb 1.15 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 68.63 2ati h THR 585 CO 0.10 0.35 -0.10 0.24 0.37 0.00 0.00 175.52 176.47 2ati h MET 586 N 0.58 0.82 -0.26 6.66 2.86 -1.25 -2.37 114.93 121.97 2ati h MET 586 Ca 0.12 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 57.47 2ati h MET 586 Cb 0.49 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 2ati h MET 586 CO 0.02 0.89 0.12 -0.92 1.06 0.00 0.00 176.91 178.08 2ati h TYR 587 N 0.74 0.39 -0.18 -0.22 3.20 -1.22 -2.89 116.97 116.78 2ati h TYR 587 Ca 0.12 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.92 2ati h TYR 587 Cb 0.60 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 2ati h TYR 587 CO 0.03 0.37 -0.12 -0.91 -1.64 0.00 0.00 178.16 175.89 2ati h ASN 588 N 0.29 0.28 0.48 -2.11 2.35 -1.18 -2.41 115.58 113.27 2ati h ASN 588 Ca 0.09 -0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 55.69 2ati h ASN 588 Cb 0.14 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 2ati h ASN 588 CO -0.01 0.43 -0.43 0.03 -1.65 0.00 0.00 177.43 175.80 2ati h ARG 589 N 0.28 0.00 0.08 0.81 3.08 -1.25 -1.05 114.38 116.32 2ati h ARG 589 Ca 0.06 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.85 2ati h ARG 589 Cb 0.39 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 2ati h ARG 589 CO 0.02 0.43 -1.21 0.82 -1.07 0.00 0.00 179.97 178.96 2ati h ILE 590 N 0.00 1.51 -0.00 2.04 2.04 -1.28 -2.88 117.51 118.94 2ati h ILE 590 Ca -0.00 -3.15 -0.18 0.00 1.00 0.00 0.00 64.86 62.52 2ati h ILE 590 Cb 0.79 2.87 -0.02 0.00 -0.74 0.00 0.00 36.82 39.72 2ati h ILE 590 CO 0.06 0.90 -0.84 0.11 0.00 0.00 0.00 178.15 178.38 2ati h LYS 591 N 0.04 0.12 0.13 2.37 1.79 -1.19 -2.72 116.57 117.12 2ati h LYS 591 Ca -0.11 -0.13 -0.28 0.00 -2.18 0.00 0.00 60.65 57.95 2ati h LYS 591 Cb 1.91 0.04 0.01 0.00 -1.58 0.00 0.00 32.23 32.61 2ati h LYS 591 CO 0.17 0.89 -1.24 -0.22 -1.08 0.00 0.00 179.45 177.96 2ati h LYS 592 N 0.07 0.40 -2.57 3.15 3.64 -1.30 -3.41 116.57 116.55 2ati h LYS 592 Ca -0.03 -0.61 -0.58 0.00 -1.27 0.00 0.00 60.65 58.16 2ati h LYS 592 Cb 1.45 0.21 -0.39 0.00 -0.41 0.00 0.00 32.23 33.10 2ati h LYS 592 CO 0.12 1.27 -0.86 0.34 -2.27 0.00 0.00 179.45 178.05 2ati s ASP 593 N -7.27 2.81 0.49 4.20 -1.08 -1.09 -5.01 116.67 109.72 2ati s ASP 593 Ca -0.06 -2.31 0.27 0.00 -0.52 0.00 0.00 52.55 49.93 2ati s ASP 593 Cb 0.07 -0.43 1.23 0.00 -1.46 0.00 0.00 42.92 42.33 2ati s ASP 593 CO 0.90 -0.29 1.96 -0.65 0.52 0.00 0.00 175.17 177.61 2ati h PRO 594 N 6.84 0.00 -0.01 4.34 0.11 -1.73 -3.12 132.00 138.43 2ati h PRO 594 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 2ati h PRO 594 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 2ati h PRO 594 CO 0.28 0.16 -0.26 1.63 -0.21 0.00 0.00 178.00 179.60 2ati n LYS 595 N -3.46 1.09 -2.24 1.05 5.02 -1.26 -4.96 118.16 113.40 2ati n LYS 595 Ca -0.01 -0.72 -0.34 0.00 -2.02 0.00 0.00 58.31 55.22 2ati n LYS 595 Cb 0.33 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 33.85 2ati n LYS 595 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2ati s LYS 596 N -2.41 3.42 -0.33 1.97 2.20 -1.18 -4.97 119.74 118.44 2ati s LYS 596 Ca 0.25 1.41 -0.29 0.00 -0.36 0.00 0.00 55.97 56.99 2ati s LYS 596 Cb 0.19 -2.03 -0.01 0.00 -1.51 0.00 0.00 37.83 34.47 2ati s LYS 596 CO 0.50 -0.76 1.53 -1.17 -0.36 0.00 0.00 175.35 175.09 2ati s LEU 597 N -3.99 3.68 -0.08 5.43 2.96 -1.26 -5.00 118.68 120.42 2ati s LEU 597 Ca 0.68 1.18 0.04 0.00 -0.22 0.00 0.00 54.13 55.82 2ati s LEU 597 Cb -0.19 -3.53 -0.00 0.00 0.50 0.00 0.00 46.19 42.96 2ati s LEU 597 CO 0.29 -1.40 -0.22 0.12 -1.32 0.00 0.00 176.35 173.82 2ati s PHE 598 N 5.55 2.26 -0.35 5.38 2.19 -1.26 -5.10 117.98 126.66 2ati s PHE 598 Ca 0.67 -0.83 -0.26 0.00 0.33 0.00 0.00 56.93 56.85 2ati s PHE 598 Cb -0.19 -1.52 0.01 0.00 -1.31 0.00 0.00 43.02 40.02 2ati s PHE 598 CO 0.31 -0.32 0.94 0.08 1.83 0.00 0.00 175.22 178.06 2ati s VAL 599 N 0.23 4.60 0.33 3.12 1.01 -1.26 -5.01 120.40 123.42 2ati s VAL 599 Ca -0.13 1.31 -0.29 0.00 0.00 0.00 0.00 61.98 62.87 2ati s VAL 599 Cb -0.16 -4.32 -0.11 0.00 0.00 0.00 0.00 36.38 31.79 2ati s VAL 599 CO 0.06 -0.48 1.53 -2.16 0.00 0.00 0.00 175.10 174.05 2ati s PRO 600 N 3.44 4.13 0.06 2.72 0.04 -1.26 -4.94 135.00 139.18 2ati s PRO 600 Ca 0.39 2.55 0.03 0.00 0.04 0.00 0.00 61.00 64.01 2ati s PRO 600 Cb -0.12 -3.01 -0.03 0.00 0.04 0.00 0.00 34.50 31.38 2ati s PRO 600 CO 0.17 -0.57 -0.09 1.03 0.04 0.00 0.00 177.00 177.58 2ati s ARG 601 N -1.19 0.63 -0.32 4.56 0.52 -0.86 -0.99 118.95 121.30 2ati s ARG 601 Ca 0.58 -0.86 0.03 0.00 -0.52 0.00 0.00 55.73 54.97 2ati s ARG 601 Cb -0.47 -0.43 0.09 0.00 0.52 0.00 0.00 34.95 34.66 2ati s ARG 601 CO 0.54 0.08 0.03 0.99 0.02 0.00 0.00 175.30 176.96 2ati s THR 602 N -1.52 2.14 -0.27 0.02 2.01 0.68 -2.46 115.64 116.24 2ati s THR 602 Ca -0.06 -2.14 -0.22 0.00 0.31 0.00 0.00 61.69 59.58 2ati s THR 602 Cb -0.09 -2.52 -0.01 0.00 0.01 0.00 0.00 72.50 69.89 2ati s THR 602 CO 0.01 -0.50 0.72 -0.69 -0.69 0.00 0.00 174.62 173.46 2ati s VAL 603 N 1.00 4.90 -0.22 3.82 1.01 0.02 -1.29 120.40 129.64 2ati s VAL 603 Ca 0.07 1.20 -0.02 0.00 0.00 0.00 0.00 61.98 63.24 2ati s VAL 603 Cb -0.19 -4.04 0.01 0.00 0.00 0.00 0.00 36.38 32.16 2ati s VAL 603 CO -0.09 -0.09 -0.09 -0.63 0.00 0.00 0.00 175.10 174.21 2ati s ILE 604 N 2.71 2.91 -0.11 2.22 1.01 0.15 -1.32 121.20 128.79 2ati s ILE 604 Ca 0.30 -0.74 0.03 0.00 0.00 0.00 0.00 60.65 60.23 2ati s ILE 604 Cb -0.15 -2.35 0.01 0.00 0.01 0.00 0.00 42.46 39.98 2ati s ILE 604 CO 0.10 0.39 -0.21 -0.63 0.00 0.00 0.00 174.94 174.59 2ati s ILE 605 N 1.39 1.87 0.07 2.92 1.01 -0.64 -0.62 121.20 127.20 2ati s ILE 605 Ca 0.04 -0.89 -0.13 0.00 0.00 0.00 0.00 60.65 59.67 2ati s ILE 605 Cb -0.15 -1.64 0.02 0.00 0.01 0.00 0.00 42.46 40.70 2ati s ILE 605 CO -0.06 0.52 0.29 -0.83 0.00 0.00 0.00 174.94 174.86 2ati s GLY 606 N 0.57 -0.09 0.00 6.18 0.00 -0.32 -1.11 107.32 112.55 2ati s GLY 606 Ca -0.14 -0.19 0.00 0.00 0.00 0.00 0.00 44.72 44.39 2ati s GLY 606 CO 0.05 -0.40 0.00 0.61 0.00 0.00 0.00 173.10 173.35 2ati n GLY 607 N 0.23 3.87 3.87 0.20 0.00 -1.25 -1.92 105.19 110.19 2ati n GLY 607 Ca -0.17 -1.08 -0.34 0.00 0.00 0.00 0.00 46.02 44.43 2ati n GLY 607 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ati s LYS 608 N -2.62 3.77 -0.03 1.61 1.02 -1.26 -4.62 119.74 117.61 2ati s LYS 608 Ca 0.00 0.18 0.02 0.00 0.02 0.00 0.00 55.97 56.19 2ati s LYS 608 Cb 0.00 -2.94 -0.03 0.00 -0.52 0.00 0.00 37.83 34.34 2ati s LYS 608 CO 0.00 0.52 -0.05 0.00 -0.92 0.00 0.00 175.35 174.90 2ati s ALA 609 N -1.47 3.09 0.28 5.17 0.00 -1.26 -1.38 121.76 126.19 2ati s ALA 609 Ca 0.36 -0.94 -0.30 0.00 0.00 0.00 0.00 51.96 51.08 2ati s ALA 609 Cb -0.14 -1.24 -0.10 0.00 0.00 0.00 0.00 23.12 21.64 2ati s ALA 609 CO 0.19 0.60 1.45 0.00 0.00 0.00 0.00 175.76 178.01 2ati s ALA 610 N -0.94 3.62 0.29 0.00 0.00 -1.26 -4.92 121.76 118.55 2ati s ALA 610 Ca 0.16 1.39 0.04 0.00 0.00 0.00 0.00 51.96 53.55 2ati s ALA 610 Cb -0.11 -3.57 0.71 0.00 0.00 0.00 0.00 23.12 20.15 2ati s ALA 610 CO 0.05 -0.81 1.75 -1.35 0.00 0.00 0.00 175.76 175.40 2ati h PRO 611 N 4.51 0.60 -0.01 0.00 0.11 -1.99 -2.00 132.00 133.23 2ati h PRO 611 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2ati h PRO 611 Cb 1.22 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2ati h PRO 611 CO 0.75 0.40 -0.01 0.41 -0.21 0.00 0.00 178.00 179.33 2ati n GLY 612 N -1.33 -0.40 3.40 -0.55 0.00 -1.26 -4.70 105.19 100.36 2ati n GLY 612 Ca 0.22 -0.35 -0.44 0.00 0.00 0.00 0.00 46.02 45.45 2ati n GLY 612 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2ati s TYR 613 N -2.03 2.98 0.09 1.61 6.14 -0.75 -4.93 117.35 120.46 2ati s TYR 613 Ca 0.41 -1.00 -0.19 0.00 0.64 0.00 0.00 57.07 56.93 2ati s TYR 613 Cb 0.21 -4.12 -0.08 0.00 0.42 0.00 0.00 41.96 38.39 2ati s TYR 613 CO 0.36 -1.40 1.58 1.25 0.64 0.00 0.00 175.55 177.97 2ati h HIS 614 N 9.13 0.38 -0.41 4.97 -0.00 -1.84 -2.98 115.15 124.40 2ati h HIS 614 Ca -0.19 -0.05 -0.03 0.00 -0.00 0.00 0.00 60.37 60.11 2ati h HIS 614 Cb 1.07 -0.11 -0.02 0.00 -0.00 0.00 0.00 27.41 28.35 2ati h HIS 614 CO 0.94 0.46 0.12 1.98 -0.00 0.00 0.00 177.93 181.43 2ati h MET 615 N 0.19 0.60 -0.23 5.26 -1.53 -1.97 -1.78 114.93 115.47 2ati h MET 615 Ca 0.07 -0.10 -0.14 0.00 -3.44 0.00 0.00 59.70 56.09 2ati h MET 615 Cb 0.27 -0.10 -0.01 0.00 -0.55 0.00 0.00 31.60 31.21 2ati h MET 615 CO 0.00 0.54 -0.46 0.00 0.14 0.00 0.00 176.91 177.13 2ati h ALA 616 N 1.54 0.77 0.00 0.39 0.00 -1.89 -2.08 119.26 117.99 2ati h ALA 616 Ca 0.14 -0.47 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 2ati h ALA 616 Cb 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2ati h ALA 616 CO -0.01 0.66 -0.48 0.87 0.00 0.00 0.00 179.25 180.30 2ati h LYS 617 N 0.47 0.00 -0.01 0.00 1.57 -1.29 -2.38 116.57 114.93 2ati h LYS 617 Ca 0.03 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.61 2ati h LYS 617 Cb 0.98 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 2ati h LYS 617 CO 0.09 0.48 -0.86 0.52 -0.57 0.00 0.00 179.45 179.11 2ati h MET 618 N 0.00 0.26 -0.35 3.15 2.86 -1.10 -2.67 114.93 117.08 2ati h MET 618 Ca -0.00 -0.26 -0.12 0.00 -2.06 0.00 0.00 59.70 57.25 2ati h MET 618 Cb 0.93 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.65 2ati h MET 618 CO 0.06 0.97 -0.28 0.82 1.06 0.00 0.00 176.91 179.54 2ati h ILE 619 N 0.15 1.28 -0.27 -1.22 2.04 -1.16 -1.36 117.51 116.97 2ati h ILE 619 Ca -0.05 -1.40 -0.03 0.00 1.00 0.00 0.00 64.86 64.39 2ati h ILE 619 Cb 1.47 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 38.85 2ati h ILE 619 CO 0.14 0.46 0.06 0.40 0.00 0.00 0.00 178.15 179.21 2ati h ILE 620 N 0.62 1.21 0.00 -0.67 2.04 -1.38 -1.88 117.51 117.46 2ati h ILE 620 Ca 0.08 -0.70 -0.06 0.00 1.00 0.00 0.00 64.86 65.18 2ati h ILE 620 Cb 0.79 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 2ati h ILE 620 CO 0.06 0.23 -0.27 0.50 0.00 0.00 0.00 178.15 178.68 2ati h LYS 621 N 0.26 0.00 -0.34 2.37 3.11 -1.31 -1.60 116.57 119.06 2ati h LYS 621 Ca 0.08 0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.83 2ati h LYS 621 Cb 0.28 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.51 2ati h LYS 621 CO 0.00 0.27 -0.16 1.25 -2.81 0.00 0.00 179.45 178.00 2ati h LEU 622 N 0.00 0.73 -0.41 5.20 5.85 -0.89 -1.33 115.31 124.47 2ati h LEU 622 Ca -0.00 -0.40 -0.05 0.00 0.84 0.00 0.00 57.88 58.27 2ati h LEU 622 Cb 0.50 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 2ati h LEU 622 CO 0.03 0.97 0.07 0.40 -0.34 0.00 0.00 178.44 179.58 2ati h ILE 623 N 0.49 1.24 -0.12 4.05 2.04 -0.87 -1.18 117.51 123.16 2ati h ILE 623 Ca 0.08 -0.86 -0.10 0.00 1.00 0.00 0.00 64.86 64.98 2ati h ILE 623 Cb 0.69 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 2ati h ILE 623 CO 0.05 0.30 -0.37 0.71 0.00 0.00 0.00 178.15 178.84 2ati h THR 624 N 0.53 1.29 -0.24 -0.27 1.35 -1.28 -0.13 112.91 114.16 2ati h THR 624 Ca 0.12 -1.42 -0.17 0.00 -0.55 0.00 0.00 66.41 64.40 2ati h THR 624 Cb 0.36 1.61 -0.00 0.00 -1.73 0.00 0.00 68.15 68.39 2ati h THR 624 CO 0.01 0.43 -0.52 0.28 -0.25 0.00 0.00 175.52 175.46 2ati h SER 625 N 0.22 0.77 -0.44 5.36 0.02 -1.04 -2.13 113.55 116.31 2ati h SER 625 Ca 0.02 -0.40 -0.15 0.00 -0.84 0.00 0.00 61.79 60.42 2ati h SER 625 Cb 0.76 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 2ati h SER 625 CO 0.06 1.15 -0.29 0.58 -1.14 0.00 0.00 176.83 177.19 2ati h VAL 626 N 0.54 1.27 -0.40 2.27 2.07 -0.96 -3.14 116.25 117.90 2ati h VAL 626 Ca 0.02 -1.47 -0.00 0.00 0.82 0.00 0.00 66.70 66.07 2ati h VAL 626 Cb 1.09 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 2ati h VAL 626 CO 0.11 0.50 0.25 0.00 0.02 0.00 0.00 177.57 178.45 2ati h ALA 627 N 0.82 0.52 0.00 1.67 0.00 -0.85 -1.22 119.26 120.20 2ati h ALA 627 Ca 0.09 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2ati h ALA 627 Cb 0.89 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2ati h ALA 627 CO 0.08 -0.00 -0.17 -0.44 0.00 0.00 0.00 179.25 178.72 2ati h ASP 628 N 0.54 0.00 0.14 0.00 3.32 -1.39 -0.33 116.42 118.70 2ati h ASP 628 Ca 0.15 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.93 2ati h ASP 628 Cb -0.02 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.54 2ati h ASP 628 CO -0.03 0.17 -1.30 0.58 -1.72 0.00 0.00 179.24 176.94 2ati h VAL 629 N 0.00 1.17 -0.20 -1.35 2.07 -1.44 -3.26 116.25 113.24 2ati h VAL 629 Ca -0.00 -2.48 -0.07 0.00 0.82 0.00 0.00 66.70 64.98 2ati h VAL 629 Cb 0.33 2.88 -0.00 0.00 -1.52 0.00 0.00 31.29 32.97 2ati h VAL 629 CO 0.02 0.73 -0.13 0.58 0.02 0.00 0.00 177.57 178.80 2ati h VAL 630 N -0.23 1.32 0.00 2.57 2.07 -1.06 -3.00 116.25 117.92 2ati h VAL 630 Ca -0.26 -1.23 -0.08 0.00 0.82 0.00 0.00 66.70 65.95 2ati h VAL 630 Cb 1.81 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 33.25 2ati h VAL 630 CO 0.12 0.37 -0.38 0.78 0.02 0.00 0.00 177.57 178.48 2ati h ASN 631 N 0.13 0.00 -0.66 0.57 2.35 -1.24 -3.18 115.58 113.55 2ati h ASN 631 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 2ati h ASN 631 Cb 0.64 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.01 2ati h ASN 631 CO 0.04 0.38 0.00 0.59 -1.65 0.00 0.00 177.43 176.78 2ati n ASN 632 N -3.66 3.83 -4.63 5.81 3.02 -1.23 -4.91 115.26 113.49 2ati n ASN 632 Ca -0.01 -2.00 -0.41 0.00 -0.03 0.00 0.00 54.58 52.14 2ati n ASN 632 Cb 0.48 -0.44 -0.06 0.00 -0.61 0.00 0.00 39.78 39.15 2ati n ASN 632 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2ati s ASP 633 N -1.07 6.61 0.48 6.41 2.15 -1.13 -4.97 116.67 125.15 2ati s ASP 633 Ca 0.46 0.75 0.26 0.00 0.43 0.00 0.00 52.55 54.46 2ati s ASP 633 Cb 0.24 -2.35 1.14 0.00 -0.30 0.00 0.00 42.92 41.66 2ati s ASP 633 CO 0.32 -0.37 1.92 1.55 -0.17 0.00 0.00 175.17 178.43 2ati h PRO 634 N 7.81 0.00 0.00 4.34 0.13 -1.91 -2.62 132.00 139.75 2ati h PRO 634 Ca -0.27 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.77 2ati h PRO 634 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 2ati h PRO 634 CO 0.78 0.17 -0.43 1.98 -0.23 0.00 0.00 178.00 180.27 2ati h MET 635 N 0.00 0.00 0.00 0.86 4.05 -1.97 -3.35 114.93 114.52 2ati h MET 635 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2ati h MET 635 Cb 0.60 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.40 2ati h MET 635 CO 0.02 0.43 -0.23 0.28 0.23 0.00 0.00 176.91 177.64 2ati h VAL 636 N 0.00 0.00 0.00 -5.77 2.07 -1.87 -3.48 116.25 107.20 2ati h VAL 636 Ca -0.00 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.79 2ati h VAL 636 Cb 1.17 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 2ati h VAL 636 CO 0.06 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.26 2ati n GLY 637 N 1.72 2.32 0.00 2.17 0.00 -1.00 -3.13 105.19 107.27 2ati n GLY 637 Ca -0.03 -0.37 0.07 0.00 0.00 0.00 0.00 46.02 45.68 2ati n GLY 637 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ati n SER 638 N 4.95 0.00 0.10 1.61 3.41 -1.26 -3.58 113.62 118.84 2ati n SER 638 Ca 0.00 -1.15 -0.20 0.00 -0.26 0.00 0.00 58.87 57.26 2ati n SER 638 Cb 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.83 2ati n SER 638 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2ati h LYS 639 N 0.00 0.52 -2.90 4.33 1.57 -1.90 -3.45 116.57 114.74 2ati h LYS 639 Ca 0.00 -0.71 -0.19 0.00 -1.87 0.00 0.00 60.65 57.88 2ati h LYS 639 Cb 0.00 0.24 -0.30 0.00 0.08 0.00 0.00 32.23 32.24 2ati h LYS 639 CO 0.00 1.31 -0.48 -1.17 -0.57 0.00 0.00 179.45 178.54 2ati s LEU 640 N -7.69 0.05 -0.03 2.94 2.96 -1.23 -2.03 118.68 113.65 2ati s LEU 640 Ca -0.08 0.61 0.03 0.00 -0.22 0.00 0.00 54.13 54.48 2ati s LEU 640 Cb 0.06 0.81 -0.00 0.00 0.50 0.00 0.00 46.19 47.56 2ati s LEU 640 CO 0.91 -0.20 -0.12 -0.54 -1.32 0.00 0.00 176.35 175.08 2ati s LYS 641 N 1.76 1.21 -0.07 1.98 -0.14 -1.03 -4.59 119.74 118.87 2ati s LYS 641 Ca -0.05 -0.43 0.05 0.00 -1.36 0.00 0.00 55.97 54.17 2ati s LYS 641 Cb -0.11 -1.11 -0.00 0.00 -1.68 0.00 0.00 37.83 34.92 2ati s LYS 641 CO -0.09 0.20 -0.23 0.08 -0.76 0.00 0.00 175.35 174.55 2ati s VAL 642 N 0.01 1.90 -0.06 3.17 1.01 -1.26 -0.80 120.40 124.37 2ati s VAL 642 Ca -0.01 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.03 2ati s VAL 642 Cb -0.08 -1.63 0.01 0.00 0.00 0.00 0.00 36.38 34.68 2ati s VAL 642 CO 0.01 0.53 -0.11 -0.63 0.00 0.00 0.00 175.10 174.89 2ati s ILE 643 N 0.08 1.05 -0.47 2.22 -1.09 -0.43 -4.85 121.20 117.71 2ati s ILE 643 Ca -0.09 -0.43 -0.17 0.00 -2.23 0.00 0.00 60.65 57.72 2ati s ILE 643 Cb -0.15 -0.97 0.05 0.00 -1.58 0.00 0.00 42.46 39.81 2ati s ILE 643 CO 0.05 0.34 0.49 0.12 -1.23 0.00 0.00 174.94 174.71 2ati s PHE 644 N 0.71 3.15 -0.36 3.97 5.36 -1.26 -1.63 117.98 127.92 2ati s PHE 644 Ca -0.14 -0.60 -0.29 0.00 -0.96 0.00 0.00 56.93 54.94 2ati s PHE 644 Cb -0.16 -3.20 -0.01 0.00 -0.34 0.00 0.00 43.02 39.31 2ati s PHE 644 CO 0.03 -0.85 1.64 -1.17 -1.46 0.00 0.00 175.22 173.41 2ati s LEU 645 N 2.16 3.54 0.39 6.12 0.20 -0.26 -4.98 118.68 125.85 2ati s LEU 645 Ca 0.11 1.13 -0.24 0.00 0.69 0.00 0.00 54.13 55.81 2ati s LEU 645 Cb -0.20 -3.53 -0.10 0.00 -0.43 0.00 0.00 46.19 41.93 2ati s LEU 645 CO 0.11 -1.59 1.00 -1.61 -0.29 0.00 0.00 176.35 173.98 2ati s GLU 646 N 5.35 4.27 -1.33 1.98 2.02 -1.26 -3.84 118.70 125.88 2ati s GLU 646 Ca 0.72 1.39 -0.02 0.00 0.02 0.00 0.00 54.97 57.09 2ati s GLU 646 Cb -0.19 -2.53 0.01 0.00 0.10 0.00 0.00 34.13 31.52 2ati s GLU 646 CO 0.33 -0.03 0.74 -1.71 0.02 0.00 0.00 175.26 174.62 2ati n ASN 647 N -0.04 -1.61 -4.66 -0.19 5.15 -1.23 -4.90 115.26 107.78 2ati n ASN 647 Ca 0.05 -0.81 -0.42 0.00 -0.60 0.00 0.00 54.58 52.80 2ati n ASN 647 Cb 0.51 -4.07 -0.03 0.00 -0.53 0.00 0.00 39.78 35.65 2ati n ASN 647 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 2ati s TYR 648 N -3.62 1.47 0.34 1.20 5.04 -1.26 -4.87 117.35 115.65 2ati s TYR 648 Ca 0.08 -0.28 -0.02 0.00 -2.44 0.00 0.00 57.07 54.41 2ati s TYR 648 Cb -0.04 -4.15 0.00 0.00 0.35 0.00 0.00 41.96 38.12 2ati s TYR 648 CO 0.81 -5.10 0.46 -0.98 -1.34 0.00 0.00 175.55 169.40 2ati s ARG 649 N 4.35 1.88 0.20 4.97 1.70 -1.26 -4.71 118.95 126.07 2ati s ARG 649 Ca 0.84 -1.75 -0.11 0.00 -0.47 0.00 0.00 55.73 54.24 2ati s ARG 649 Cb -0.40 0.44 0.21 0.00 -0.57 0.00 0.00 34.95 34.62 2ati s ARG 649 CO 0.38 -0.77 1.78 0.28 -1.08 0.00 0.00 175.30 175.89 2ati h VAL 650 N 2.13 0.90 -0.13 4.99 2.07 -1.94 -0.07 116.25 124.19 2ati h VAL 650 Ca -0.28 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.01 2ati h VAL 650 Cb 1.24 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 2ati h VAL 650 CO 0.39 0.09 -0.16 0.77 0.02 0.00 0.00 177.57 178.68 2ati h SER 651 N 0.51 0.19 0.90 0.57 4.64 -1.96 -1.93 113.55 116.47 2ati h SER 651 Ca 0.27 -0.04 -0.23 0.00 -0.47 0.00 0.00 61.79 61.32 2ati h SER 651 Cb 0.23 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 2ati h SER 651 CO -0.21 0.37 -1.07 0.25 -0.87 0.00 0.00 176.83 175.30 2ati h LEU 652 N 0.19 0.11 -1.14 5.97 6.46 -1.76 -3.14 115.31 122.01 2ati h LEU 652 Ca 0.04 -0.12 -0.04 0.00 -0.12 0.00 0.00 57.88 57.64 2ati h LEU 652 Cb 0.40 -0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.27 2ati h LEU 652 CO 0.03 1.10 0.19 0.00 -0.62 0.00 0.00 178.44 179.13 2ati h ALA 653 N 0.89 1.31 0.00 1.25 0.00 -0.46 -1.36 119.26 120.89 2ati h ALA 653 Ca -0.05 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 2ati h ALA 653 Cb 1.83 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 2ati h ALA 653 CO 0.15 0.50 -0.12 0.93 0.00 0.00 0.00 179.25 180.71 2ati h GLU 654 N 0.78 0.00 0.09 0.00 5.08 -1.32 -2.01 114.58 117.20 2ati h GLU 654 Ca 0.18 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.22 2ati h GLU 654 Cb 0.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2ati h GLU 654 CO -0.01 0.12 -1.73 0.87 -1.00 0.00 0.00 179.01 177.27 2ati h LYS 655 N 0.00 0.20 0.05 2.33 1.57 -1.31 -3.41 116.57 116.00 2ati h LYS 655 Ca -0.00 -0.33 -0.23 0.00 -1.87 0.00 0.00 60.65 58.22 2ati h LYS 655 Cb 0.36 0.12 0.02 0.00 0.08 0.00 0.00 32.23 32.82 2ati h LYS 655 CO 0.02 1.16 -0.92 -0.24 -0.57 0.00 0.00 179.45 178.90 2ati h VAL 656 N -0.27 1.36 -0.55 0.50 3.04 -1.22 -3.37 116.25 115.74 2ati h VAL 656 Ca -0.39 -2.27 0.05 0.00 -1.01 0.00 0.00 66.70 63.08 2ati h VAL 656 Cb 1.81 2.63 -0.05 0.00 -2.01 0.00 0.00 31.29 33.67 2ati h VAL 656 CO 0.00 0.68 0.28 0.40 -1.01 0.00 0.00 177.57 177.92 2ati h ILE 657 N 0.10 0.94 0.00 3.17 2.04 -1.61 -2.41 117.51 119.74 2ati h ILE 657 Ca -0.13 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.55 2ati h ILE 657 Cb 1.62 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 38.06 2ati h ILE 657 CO 0.18 0.10 0.00 -0.65 0.00 0.00 0.00 178.15 177.77 2ati h PRO 658 N 0.53 0.00 -0.39 2.37 0.11 -1.78 -2.71 132.00 130.13 2ati h PRO 658 Ca 0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.36 2ati h PRO 658 Cb 0.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.28 2ati h PRO 658 CO -0.18 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.61 2ati n ALA 659 N -1.87 2.44 -2.49 -0.75 0.00 -0.92 -4.73 120.51 112.19 2ati n ALA 659 Ca 0.02 -0.88 -0.37 0.00 0.00 0.00 0.00 53.44 52.21 2ati n ALA 659 Cb 0.25 -0.95 -0.06 0.00 0.00 0.00 0.00 19.45 18.69 2ati n ALA 659 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2ati s THR 660 N -1.49 5.01 -0.23 0.00 2.01 -1.02 -4.63 115.64 115.29 2ati s THR 660 Ca 0.37 0.81 -0.05 0.00 0.31 0.00 0.00 61.69 63.13 2ati s THR 660 Cb 0.21 -3.71 -0.12 0.00 0.01 0.00 0.00 72.50 68.88 2ati s THR 660 CO 0.29 0.52 -0.25 0.47 -0.69 0.00 0.00 174.62 174.96 2ati n ASP 661 N 1.64 1.97 -4.10 3.53 8.00 -0.73 -4.06 116.55 122.81 2ati n ASP 661 Ca -0.13 0.09 -0.31 0.00 0.71 0.00 0.00 54.79 55.15 2ati n ASP 661 Cb 0.52 -0.53 -0.16 0.00 -0.02 0.00 0.00 41.12 40.93 2ati n ASP 661 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2ati s LEU 662 N -6.81 1.93 -0.27 0.64 2.96 -0.03 -0.78 118.68 116.34 2ati s LEU 662 Ca -0.32 -0.55 -0.11 0.00 -0.22 0.00 0.00 54.13 52.93 2ati s LEU 662 Cb 0.10 -1.32 -0.05 0.00 0.50 0.00 0.00 46.19 45.43 2ati s LEU 662 CO 0.47 0.01 0.20 -0.55 -1.32 0.00 0.00 176.35 175.16 2ati s SER 663 N 1.14 6.08 -0.40 3.68 0.15 0.68 -0.63 113.70 124.40 2ati s SER 663 Ca -0.01 0.06 -0.18 0.00 0.70 0.00 0.00 55.95 56.52 2ati s SER 663 Cb -0.14 -2.13 0.01 0.00 -1.71 0.00 0.00 66.02 62.06 2ati s SER 663 CO -0.07 -0.03 0.51 -1.61 1.20 0.00 0.00 173.24 173.25 2ati s GLU 664 N 1.56 3.35 -0.51 5.44 0.41 -0.33 -1.17 118.70 127.45 2ati s GLU 664 Ca 0.08 -0.44 0.07 0.00 -0.41 0.00 0.00 54.97 54.28 2ati s GLU 664 Cb -0.15 -3.90 0.28 0.00 -1.78 0.00 0.00 34.13 28.58 2ati s GLU 664 CO 0.09 -0.81 0.70 1.04 -0.49 0.00 0.00 175.26 175.80 2ati n GLN 665 N 5.82 1.84 -1.18 1.61 1.13 -0.45 -4.71 117.38 121.45 2ati n GLN 665 Ca -0.05 -4.06 -0.23 0.00 -1.94 0.00 0.00 57.00 50.72 2ati n GLN 665 Cb 0.48 -1.84 0.17 0.00 0.11 0.00 0.00 30.24 29.16 2ati n GLN 665 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 2ati n ILE 666 N 0.78 3.12 -1.59 5.09 -5.35 -1.26 -3.02 119.36 117.12 2ati n ILE 666 Ca 0.27 -1.86 -0.33 0.00 -0.27 0.00 0.00 62.75 60.55 2ati n ILE 666 Cb 0.48 -0.51 0.07 0.00 -1.74 0.00 0.00 39.64 37.94 2ati n ILE 666 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2ati s SER 667 N -1.21 4.67 0.29 7.28 1.04 -1.25 -4.64 113.70 119.88 2ati s SER 667 Ca 0.55 2.15 -0.29 0.00 0.48 0.00 0.00 55.95 58.84 2ati s SER 667 Cb 0.46 -2.57 -0.10 0.00 0.10 0.00 0.00 66.02 63.91 2ati s SER 667 CO 0.10 -1.93 1.32 -0.89 0.98 0.00 0.00 173.24 172.82 2ati s THR 668 N -2.20 2.83 -0.16 2.02 2.01 -1.10 -4.64 115.64 114.40 2ati s THR 668 Ca 0.70 0.77 -0.37 0.00 0.31 0.00 0.00 61.69 63.11 2ati s THR 668 Cb -0.24 -3.49 -0.13 0.00 0.01 0.00 0.00 72.50 68.64 2ati s THR 668 CO 0.43 0.16 1.82 0.00 -0.69 0.00 0.00 174.62 176.35 2ati n ALA 669 N 1.42 0.45 -0.20 7.40 0.00 -1.26 -1.58 120.51 126.73 2ati n ALA 669 Ca 0.02 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.79 2ati n ALA 669 Cb 0.42 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.48 2ati n ALA 669 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ati n GLY 670 N 4.30 0.82 0.07 0.00 0.00 -1.26 -4.77 105.19 104.36 2ati n GLY 670 Ca 0.24 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.17 2ati n GLY 670 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ati n THR 671 N -2.15 0.93 -3.12 2.61 -2.24 -0.62 -4.92 114.28 104.78 2ati n THR 671 Ca 0.00 -0.46 -0.41 0.00 -2.27 0.00 0.00 64.05 60.91 2ati n THR 671 Cb 0.00 -0.88 -0.07 0.00 -2.10 0.00 0.00 70.33 67.28 2ati n THR 671 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2ati s GLU 672 N -2.33 3.86 0.19 -0.78 2.56 -1.26 -4.76 118.70 116.18 2ati s GLU 672 Ca -0.15 0.25 -0.12 0.00 0.00 0.00 0.00 54.97 54.96 2ati s GLU 672 Cb 0.05 -3.74 0.18 0.00 2.00 0.00 0.00 34.13 32.62 2ati s GLU 672 CO 0.46 -0.60 1.78 0.00 -0.56 0.00 0.00 175.26 176.34 2ati h ALA 673 N 8.24 0.73 0.00 6.30 0.00 -1.91 -3.01 119.26 129.61 2ati h ALA 673 Ca -0.27 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2ati h ALA 673 Cb 1.12 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2ati h ALA 673 CO 0.81 -0.07 0.00 0.45 0.00 0.00 0.00 179.25 180.43 2ati n SER 674 N -4.88 -0.06 0.00 0.00 2.88 -1.26 -4.14 113.62 106.16 2ati n SER 674 Ca 0.06 0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 2ati n SER 674 Cb 0.17 0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 2ati n SER 674 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ati n GLY 675 N 0.17 1.87 0.00 0.46 0.00 -1.26 -0.79 105.19 105.63 2ati n GLY 675 Ca 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.29 2ati n GLY 675 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ati n THR 676 N 1.77 0.00 -0.30 2.61 -2.24 -1.26 -4.77 114.28 110.10 2ati n THR 676 Ca 0.00 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 2ati n THR 676 Cb 0.00 -0.06 0.16 0.00 -2.10 0.00 0.00 70.33 68.33 2ati n THR 676 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2ati h GLY 677 N 0.00 1.25 0.50 3.38 0.00 -1.95 -2.19 103.07 104.06 2ati h GLY 677 Ca 0.00 -0.50 0.12 0.00 0.00 0.00 0.00 47.33 46.95 2ati h GLY 677 CO 0.00 0.49 0.62 3.45 0.00 0.00 0.00 176.54 181.10 2ati h ASN 678 N 1.19 0.89 0.05 0.19 -1.07 -1.94 -1.91 115.58 112.98 2ati h ASN 678 Ca 0.31 0.04 -0.17 0.00 0.07 0.00 0.00 56.30 56.56 2ati h ASN 678 Cb -0.07 -0.13 -0.00 0.00 -2.07 0.00 0.00 38.32 36.04 2ati h ASN 678 CO -0.06 0.47 -0.60 0.24 0.07 0.00 0.00 177.43 177.55 2ati h MET 679 N 0.95 0.55 -0.66 4.14 2.86 -1.72 -2.81 114.93 118.25 2ati h MET 679 Ca 0.48 -0.37 -0.07 0.00 -2.06 0.00 0.00 59.70 57.67 2ati h MET 679 Cb 0.51 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.19 2ati h MET 679 CO -0.25 0.99 0.12 0.87 1.06 0.00 0.00 176.91 179.70 2ati h LYS 680 N 0.41 1.08 -0.36 1.72 1.57 -1.05 -2.39 116.57 117.55 2ati h LYS 680 Ca -0.00 -0.28 -0.14 0.00 -1.87 0.00 0.00 60.65 58.35 2ati h LYS 680 Cb 1.16 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 2ati h LYS 680 CO 0.11 0.99 -0.34 0.74 -0.57 0.00 0.00 179.45 180.38 2ati h PHE 681 N 1.00 0.95 -0.56 -1.35 0.04 -1.44 -2.48 116.94 113.11 2ati h PHE 681 Ca 0.20 -0.26 -0.06 0.00 2.80 0.00 0.00 57.97 60.65 2ati h PHE 681 Cb 0.42 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 2ati h PHE 681 CO 0.03 1.03 0.13 1.98 -0.60 0.00 0.00 178.31 180.88 2ati h MET 682 N 0.67 0.90 0.00 1.51 4.05 -1.37 -1.70 114.93 119.00 2ati h MET 682 Ca 0.07 -0.22 -0.07 0.00 -0.28 0.00 0.00 59.70 59.19 2ati h MET 682 Cb 0.89 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.56 2ati h MET 682 CO 0.08 0.85 -0.34 1.25 0.23 0.00 0.00 176.91 178.98 2ati h LEU 683 N 0.80 0.00 -2.59 3.39 6.46 -1.39 -3.21 115.31 118.76 2ati h LEU 683 Ca 0.17 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.93 2ati h LEU 683 Cb 0.36 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.29 2ati h LEU 683 CO 0.00 0.34 0.00 0.59 -0.62 0.00 0.00 178.44 178.76 2ati n ASN 684 N -3.72 3.94 0.00 1.25 3.02 -0.94 -4.93 115.26 113.88 2ati n ASN 684 Ca -0.01 -2.35 0.00 0.00 -0.03 0.00 0.00 54.58 52.19 2ati n ASN 684 Cb 0.44 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 2ati n ASN 684 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ati n GLY 685 N 1.01 0.62 3.63 7.41 0.00 -1.16 -4.77 105.19 111.93 2ati n GLY 685 Ca 0.21 -0.75 -0.31 0.00 0.00 0.00 0.00 46.02 45.16 2ati n GLY 685 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ati s ALA 686 N -2.00 3.11 0.33 4.61 0.00 -0.67 -4.80 121.76 122.34 2ati s ALA 686 Ca 0.00 -1.07 -0.09 0.00 0.00 0.00 0.00 51.96 50.81 2ati s ALA 686 Cb 0.00 -1.14 -0.06 0.00 0.00 0.00 0.00 23.12 21.92 2ati s ALA 686 CO 0.00 0.64 0.65 -0.51 0.00 0.00 0.00 175.76 176.55 2ati s LEU 687 N -1.77 3.98 -0.11 0.00 1.43 0.04 -4.26 118.68 117.98 2ati s LEU 687 Ca 0.20 0.95 -0.00 0.00 -1.03 0.00 0.00 54.13 54.25 2ati s LEU 687 Cb -0.11 -3.78 -0.02 0.00 0.03 0.00 0.00 46.19 42.30 2ati s LEU 687 CO 0.11 -0.26 -0.11 -0.89 0.23 0.00 0.00 176.35 175.44 2ati s THR 688 N -2.15 3.28 -0.23 5.49 2.01 -1.26 -0.23 115.64 122.55 2ati s THR 688 Ca 0.48 -0.59 -0.04 0.00 0.31 0.00 0.00 61.69 61.85 2ati s THR 688 Cb -0.11 -2.37 -0.00 0.00 0.01 0.00 0.00 72.50 70.03 2ati s THR 688 CO 0.28 0.54 -0.04 -0.51 -0.69 0.00 0.00 174.62 174.20 2ati s ILE 689 N 0.04 3.38 0.24 1.82 2.07 -0.32 -0.28 121.20 128.16 2ati s ILE 689 Ca -0.03 -0.54 -0.20 0.00 -1.41 0.00 0.00 60.65 58.46 2ati s ILE 689 Cb -0.14 -2.56 0.07 0.00 0.13 0.00 0.00 42.46 39.96 2ati s ILE 689 CO 0.04 0.38 0.98 -0.83 -1.91 0.00 0.00 174.94 173.60 2ati s GLY 690 N 1.47 0.19 0.48 1.50 0.00 -0.78 -1.33 107.32 108.85 2ati s GLY 690 Ca 0.05 -0.46 0.05 0.00 0.00 0.00 0.00 44.72 44.36 2ati s GLY 690 CO -0.03 1.81 0.67 -0.51 0.00 0.00 0.00 173.10 175.04 2ati s THR 691 N -2.17 2.84 -1.31 0.90 -4.23 -1.17 -1.75 115.64 108.76 2ati s THR 691 Ca 0.21 -0.83 -0.13 0.00 -1.18 0.00 0.00 61.69 59.75 2ati s THR 691 Cb -0.03 -3.00 0.12 0.00 1.34 0.00 0.00 72.50 70.93 2ati s THR 691 CO 0.07 -0.00 1.82 0.23 -0.54 0.00 0.00 174.62 176.20 2ati n MET 692 N -2.10 3.32 -4.13 3.99 2.81 -1.26 -4.67 117.12 115.08 2ati n MET 692 Ca 0.08 -3.36 -0.16 0.00 -1.81 0.00 0.00 57.70 52.44 2ati n MET 692 Cb 0.59 -3.13 -0.15 0.00 -0.71 0.00 0.00 33.22 29.82 2ati n MET 692 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2ati s ASP 693 N 2.43 0.62 1.30 7.83 3.68 -1.26 -4.61 116.67 126.66 2ati s ASP 693 Ca 0.44 -0.09 0.00 0.00 2.13 0.00 0.00 52.55 55.03 2ati s ASP 693 Cb 0.07 -0.13 0.00 0.00 -1.45 0.00 0.00 42.92 41.40 2ati s ASP 693 CO -0.00 0.03 0.00 0.61 0.13 0.00 0.00 175.17 175.94 2ati n GLY 694 N 3.21 2.96 0.00 2.66 0.00 -1.14 -2.41 105.19 110.47 2ati n GLY 694 Ca -0.16 -0.32 0.12 0.00 0.00 0.00 0.00 46.02 45.66 2ati n GLY 694 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ati n ALA 695 N 10.06 2.16 -0.01 4.61 0.00 0.02 -3.22 120.51 134.14 2ati n ALA 695 Ca 0.00 -0.10 0.05 0.00 0.00 0.00 0.00 53.44 53.39 2ati n ALA 695 Cb 0.00 -1.39 0.44 0.00 0.00 0.00 0.00 19.45 18.50 2ati n ALA 695 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2ati h ASN 696 N 0.00 0.45 -0.26 0.00 2.35 -1.67 -0.86 115.58 115.59 2ati h ASN 696 Ca 0.00 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 2ati h ASN 696 Cb 0.32 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 2ati h ASN 696 CO 0.00 0.32 0.14 0.58 -1.65 0.00 0.00 177.43 176.81 2ati h VAL 697 N 0.53 1.13 0.00 2.81 2.07 -1.72 -1.98 116.25 119.08 2ati h VAL 697 Ca 0.17 -0.34 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 2ati h VAL 697 Cb 0.02 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 2ati h VAL 697 CO -0.04 0.13 -0.20 -0.33 0.02 0.00 0.00 177.57 177.15 2ati h GLU 698 N 0.30 0.00 -0.09 1.57 5.08 -1.56 -1.65 114.58 118.23 2ati h GLU 698 Ca 0.09 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.26 2ati h GLU 698 Cb 0.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 2ati h GLU 698 CO -0.01 0.20 -0.73 0.52 -1.00 0.00 0.00 179.01 177.98 2ati h MET 699 N 0.00 0.48 -0.21 2.33 2.86 -0.90 -2.23 114.93 117.26 2ati h MET 699 Ca -0.00 -0.39 -0.16 0.00 -2.06 0.00 0.00 59.70 57.09 2ati h MET 699 Cb 0.81 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.55 2ati h MET 699 CO 0.03 1.02 -0.53 0.00 1.06 0.00 0.00 176.91 178.49 2ati h ALA 700 N 0.87 0.68 -0.60 6.32 0.00 -1.11 -1.05 119.26 124.37 2ati h ALA 700 Ca -0.03 -0.50 -0.08 0.00 0.00 0.00 0.00 54.91 54.29 2ati h ALA 700 Cb 1.32 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 2ati h ALA 700 CO 0.13 0.68 0.07 0.93 0.00 0.00 0.00 179.25 181.06 2ati h GLU 701 N 0.47 1.02 -0.01 0.00 5.08 -1.20 0.20 114.58 120.15 2ati h GLU 701 Ca 0.01 -0.29 -0.13 0.00 -1.00 0.00 0.00 59.36 57.95 2ati h GLU 701 Cb 1.08 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 30.23 2ati h GLU 701 CO 0.10 0.98 -0.52 0.93 -1.00 0.00 0.00 179.01 179.50 2ati h GLU 702 N 0.93 0.37 0.00 2.33 4.39 -1.28 -3.36 114.58 117.95 2ati h GLU 702 Ca 0.18 -0.38 -0.03 0.00 0.34 0.00 0.00 59.36 59.47 2ati h GLU 702 Cb 0.47 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.22 2ati h GLU 702 CO 0.02 1.06 -0.96 0.00 -1.16 0.00 0.00 179.01 177.97 2ati h ALA 703 N 0.32 0.57 0.00 3.43 0.00 -1.23 -3.46 119.26 118.89 2ati h ALA 703 Ca -0.06 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2ati h ALA 703 Cb 1.23 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2ati h ALA 703 CO 0.10 0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.91 2ati n GLY 704 N 1.20 1.94 0.37 0.00 0.00 0.68 -4.66 105.19 104.73 2ati n GLY 704 Ca -0.01 -1.34 0.14 0.00 0.00 0.00 0.00 46.02 44.81 2ati n GLY 704 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2ati h GLU 705 N 0.00 0.46 0.00 1.61 4.81 -1.79 -0.87 114.58 118.80 2ati h GLU 705 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2ati h GLU 705 Cb 0.00 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.28 2ati h GLU 705 CO 0.00 0.30 0.00 -0.85 -0.73 0.00 0.00 179.01 177.73 2ati n GLU 706 N -4.49 0.09 -0.09 1.92 0.00 -1.26 -2.35 120.64 114.46 2ati n GLU 706 Ca 0.14 0.34 0.12 0.00 0.00 0.00 0.00 57.16 57.76 2ati n GLU 706 Cb 0.47 -1.68 0.27 0.00 0.00 0.00 0.00 31.44 30.51 2ati n GLU 706 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2ati n ASN 707 N -1.85 2.62 -4.37 -1.84 3.02 -0.33 -4.87 115.26 107.64 2ati n ASN 707 Ca 0.03 -1.86 -0.20 0.00 -0.03 0.00 0.00 54.58 52.52 2ati n ASN 707 Cb 0.19 -0.12 -0.10 0.00 -0.61 0.00 0.00 39.78 39.14 2ati n ASN 707 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2ati s LEU 708 N -1.69 2.55 -1.03 3.41 1.02 -0.99 -4.79 118.68 117.16 2ati s LEU 708 Ca 0.34 -1.05 -0.04 0.00 0.02 0.00 0.00 54.13 53.40 2ati s LEU 708 Cb 0.20 -0.71 0.29 0.00 0.02 0.00 0.00 46.19 45.99 2ati s LEU 708 CO 0.30 -0.18 1.24 0.49 0.02 0.00 0.00 176.35 178.22 2ati n PHE 709 N -0.44 3.37 -2.66 0.29 3.01 0.62 -4.98 117.46 116.67 2ati n PHE 709 Ca -0.07 -3.24 -0.41 0.00 1.01 0.00 0.00 57.45 54.73 2ati n PHE 709 Cb 0.61 -1.28 -0.04 0.00 -0.01 0.00 0.00 39.48 38.75 2ati n PHE 709 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 2ati s ILE 710 N -2.24 4.21 0.30 4.37 -1.09 -1.26 -1.87 121.20 123.62 2ati s ILE 710 Ca 0.32 1.91 -0.01 0.00 -2.23 0.00 0.00 60.65 60.64 2ati s ILE 710 Cb 0.01 -4.22 -0.01 0.00 -1.58 0.00 0.00 42.46 36.65 2ati s ILE 710 CO 0.02 0.33 0.36 0.72 -1.23 0.00 0.00 174.94 175.14 2ati s PHE 711 N -0.27 1.16 0.06 3.97 -0.12 -0.72 -4.96 117.98 117.11 2ati s PHE 711 Ca 0.47 -1.33 0.00 0.00 -0.05 0.00 0.00 56.93 56.02 2ati s PHE 711 Cb -0.26 -0.30 0.00 0.00 -0.63 0.00 0.00 43.02 41.83 2ati s PHE 711 CO 0.32 -0.96 0.00 0.41 -0.05 0.00 0.00 175.22 174.94 2ati n GLY 712 N -0.50 -1.50 3.77 1.99 0.00 -1.26 -4.38 105.19 103.32 2ati n GLY 712 Ca 0.02 -1.17 -0.38 0.00 0.00 0.00 0.00 46.02 44.49 2ati n GLY 712 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2ati s MET 713 N -0.48 4.36 0.57 1.61 0.23 -1.26 -4.93 119.30 119.40 2ati s MET 713 Ca 0.00 1.63 0.05 0.00 -1.03 0.00 0.00 55.69 56.34 2ati s MET 713 Cb 0.00 -2.81 0.07 0.00 -1.53 0.00 0.00 34.83 30.57 2ati s MET 713 CO 0.00 0.01 0.79 1.03 -2.03 0.00 0.00 175.02 174.81 2ati s ARG 714 N -2.06 2.31 0.33 3.16 0.52 -1.26 -4.52 118.95 117.42 2ati s ARG 714 Ca 0.52 -1.28 0.11 0.00 -0.52 0.00 0.00 55.73 54.56 2ati s ARG 714 Cb -0.26 -2.57 0.99 0.00 0.52 0.00 0.00 34.95 33.63 2ati s ARG 714 CO 0.33 -0.85 1.64 0.97 0.02 0.00 0.00 175.30 177.41 2ati h ILE 715 N 0.09 0.24 -0.02 1.52 6.09 -1.86 -1.07 117.51 122.50 2ati h ILE 715 Ca -0.36 -0.08 -0.19 0.00 -1.37 0.00 0.00 64.86 62.87 2ati h ILE 715 Cb 1.28 -0.00 -0.01 0.00 0.47 0.00 0.00 36.82 38.56 2ati h ILE 715 CO 0.43 0.04 -0.81 0.44 -3.07 0.00 0.00 178.15 175.18 2ati h ASP 716 N 0.22 0.32 1.71 2.19 3.32 -1.96 -3.07 116.42 119.14 2ati h ASP 716 Ca 0.69 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 57.50 2ati h ASP 716 Cb 1.56 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 41.01 2ati h ASP 716 CO -0.67 1.00 0.00 0.44 -1.72 0.00 0.00 179.24 178.30 2ati h ASP 717 N 0.16 0.00 0.43 6.45 3.32 -1.59 -2.33 116.42 122.86 2ati h ASP 717 Ca -0.04 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.70 2ati h ASP 717 Cb 1.41 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.97 2ati h ASP 717 CO 0.13 0.00 -1.46 0.58 -1.72 0.00 0.00 179.24 176.77 2ati h VAL 718 N 0.00 1.26 0.00 -1.35 2.07 -1.46 -3.12 116.25 113.66 2ati h VAL 718 Ca 0.00 -2.82 -0.07 0.00 0.82 0.00 0.00 66.70 64.63 2ati h VAL 718 Cb 0.85 2.89 -0.01 0.00 -1.52 0.00 0.00 31.29 33.50 2ati h VAL 718 CO 0.00 0.84 -0.33 0.00 0.02 0.00 0.00 177.57 178.11 2ati h ALA 719 N 0.39 1.07 0.00 1.67 0.00 -1.44 -2.37 119.26 118.59 2ati h ALA 719 Ca -0.23 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.23 2ati h ALA 719 Cb 2.05 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.77 2ati h ALA 719 CO 0.20 0.41 -0.72 0.00 0.00 0.00 0.00 179.25 179.14 2ati h ALA 720 N 1.67 0.55 0.00 0.00 0.00 -1.49 -2.81 119.26 117.19 2ati h ALA 720 Ca -0.00 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2ati h ALA 720 Cb 0.78 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2ati h ALA 720 CO 0.04 0.90 -0.46 1.25 0.00 0.00 0.00 179.25 180.98 2ati h LEU 721 N 0.00 0.00 0.06 0.00 5.85 -1.44 -2.86 115.31 116.93 2ati h LEU 721 Ca -0.01 -0.03 -0.26 0.00 0.84 0.00 0.00 57.88 58.43 2ati h LEU 721 Cb 1.53 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.55 2ati h LEU 721 CO 0.09 0.02 -1.24 0.44 -0.34 0.00 0.00 178.44 177.41 2ati h ASP 722 N 0.00 0.20 -0.15 1.25 3.32 -1.41 -2.32 116.42 117.31 2ati h ASP 722 Ca 0.00 -0.24 -0.17 0.00 0.02 0.00 0.00 57.03 56.64 2ati h ASP 722 Cb 0.94 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 40.43 2ati h ASP 722 CO 0.00 1.19 -0.57 0.50 -1.72 0.00 0.00 179.24 178.65 2ati h LYS 723 N 0.04 0.65 -0.04 3.56 3.64 -1.53 -3.32 116.57 119.57 2ati h LYS 723 Ca -0.12 -0.50 -0.12 0.00 -1.27 0.00 0.00 60.65 58.64 2ati h LYS 723 Cb 1.90 0.09 0.01 0.00 -0.41 0.00 0.00 32.23 33.82 2ati h LYS 723 CO 0.15 1.12 -0.45 -0.22 -2.27 0.00 0.00 179.45 177.78 2ati h LYS 724 N 0.32 0.38 0.00 1.90 3.64 -1.62 -3.50 116.57 117.69 2ati h LYS 724 Ca -0.03 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 2ati h LYS 724 Cb 1.20 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 2ati h LYS 724 CO 0.12 1.01 0.00 0.41 -2.27 0.00 0.00 179.45 178.72 2ati n GLY 725 N 0.89 3.49 3.65 5.01 0.00 -0.88 -5.07 105.19 112.27 2ati n GLY 725 Ca -0.09 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 2ati n GLY 725 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2ati s TYR 726 N 0.00 3.30 -0.31 1.61 5.04 -1.19 -4.92 117.35 120.88 2ati s TYR 726 Ca 0.00 1.28 0.03 0.00 -2.44 0.00 0.00 57.07 55.93 2ati s TYR 726 Cb 0.00 -3.23 0.09 0.00 0.35 0.00 0.00 41.96 39.17 2ati s TYR 726 CO 0.00 -0.49 0.03 -2.00 -1.34 0.00 0.00 175.55 171.75 2ati s GLU 727 N 3.10 1.45 0.00 4.97 2.12 -1.26 -4.98 118.70 124.09 2ati s GLU 727 Ca 0.40 -1.54 0.18 0.00 0.36 0.00 0.00 54.97 54.37 2ati s GLU 727 Cb -0.15 -2.85 0.77 0.00 0.26 0.00 0.00 34.13 32.17 2ati s GLU 727 CO 0.08 -0.86 1.58 0.00 -0.54 0.00 0.00 175.26 175.52 2ati n ALA 728 N 4.44 1.83 0.15 6.30 0.00 -1.26 -3.04 120.51 128.93 2ati n ALA 728 Ca -0.02 -0.06 0.01 0.00 0.00 0.00 0.00 53.44 53.37 2ati n ALA 728 Cb 0.42 -1.29 0.17 0.00 0.00 0.00 0.00 19.45 18.75 2ati n ALA 728 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2ati h LYS 729 N 0.00 0.00 -0.44 0.00 3.64 -1.93 -3.20 116.57 114.64 2ati h LYS 729 Ca 0.00 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 2ati h LYS 729 Cb 0.31 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 2ati h LYS 729 CO 0.00 0.56 -0.03 0.93 -2.27 0.00 0.00 179.45 178.64 2ati h GLU 730 N 0.00 0.80 0.00 1.90 5.08 -1.98 -2.83 114.58 117.55 2ati h GLU 730 Ca -0.01 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 58.05 2ati h GLU 730 Cb 1.17 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 2ati h GLU 730 CO 0.07 0.88 -0.15 1.88 -1.00 0.00 0.00 179.01 180.70 2ati h TYR 731 N 0.64 0.00 -0.09 4.33 -1.99 -1.75 -2.32 116.97 115.79 2ati h TYR 731 Ca 0.12 0.00 -0.15 0.00 2.00 0.00 0.00 58.73 60.71 2ati h TYR 731 Cb 0.54 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.28 2ati h TYR 731 CO 0.04 0.15 -0.51 -0.92 -0.00 0.00 0.00 178.16 176.92 2ati h TYR 732 N 0.00 0.69 0.00 4.88 3.20 -1.53 -2.96 116.97 121.26 2ati h TYR 732 Ca -0.00 -0.31 0.00 0.00 3.14 0.00 0.00 58.73 61.56 2ati h TYR 732 Cb 0.88 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.05 2ati h TYR 732 CO 0.00 1.09 -0.33 0.93 -1.64 0.00 0.00 178.16 178.22 2ati h GLU 733 N 0.09 0.00 0.00 1.82 4.39 -1.50 -3.33 114.58 116.04 2ati h GLU 733 Ca -0.04 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.51 2ati h GLU 733 Cb 1.16 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.79 2ati h GLU 733 CO 0.11 0.00 -1.18 0.00 -1.16 0.00 0.00 179.01 176.77 2ati h ALA 734 N 2.05 0.65 -3.10 3.43 0.00 -1.51 -3.44 119.26 117.34 2ati h ALA 734 Ca 0.00 -0.74 -0.67 0.00 0.00 0.00 0.00 54.91 53.49 2ati h ALA 734 Cb 0.97 0.18 -0.28 0.00 0.00 0.00 0.00 17.79 18.66 2ati h ALA 734 CO 0.00 0.85 -0.68 -0.51 0.00 0.00 0.00 179.25 178.91 2ati s LEU 735 N -5.96 3.49 0.32 0.00 1.43 -1.12 -5.01 118.68 111.84 2ati s LEU 735 Ca -0.01 -0.70 0.11 0.00 -1.03 0.00 0.00 54.13 52.50 2ati s LEU 735 Cb 0.08 -1.79 0.53 0.00 0.03 0.00 0.00 46.19 45.04 2ati s LEU 735 CO 0.80 -0.14 1.72 1.55 0.23 0.00 0.00 176.35 180.50 2ati h PRO 736 N 8.14 0.02 -0.01 1.29 0.13 -1.87 -2.89 132.00 136.82 2ati h PRO 736 Ca -0.33 -0.01 -0.17 0.00 -0.87 0.00 0.00 66.00 64.61 2ati h PRO 736 Cb 1.13 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 2ati h PRO 736 CO 0.59 0.51 -0.79 0.93 -0.23 0.00 0.00 178.00 179.02 2ati h GLU 737 N 0.02 0.10 -0.01 0.86 5.08 -1.95 -3.01 114.58 115.68 2ati h GLU 737 Ca -0.00 -0.10 -0.17 0.00 -1.00 0.00 0.00 59.36 58.09 2ati h GLU 737 Cb 0.88 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 2ati h GLU 737 CO 0.06 0.83 -0.78 1.25 -1.00 0.00 0.00 179.01 179.38 2ati h LEU 738 N 0.06 0.11 -0.40 1.33 5.85 -1.89 -2.92 115.31 117.44 2ati h LEU 738 Ca -0.02 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.59 2ati h LEU 738 Cb 1.38 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.36 2ati h LEU 738 CO 0.11 0.84 0.14 0.50 -0.34 0.00 0.00 178.44 179.69 2ati h LYS 739 N 0.05 0.62 -0.41 1.25 3.64 -1.43 -1.06 116.57 119.23 2ati h LYS 739 Ca -0.02 -0.12 -0.12 0.00 -1.27 0.00 0.00 60.65 59.12 2ati h LYS 739 Cb 1.36 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.08 2ati h LYS 739 CO 0.11 0.60 -0.21 1.25 -2.27 0.00 0.00 179.45 178.93 2ati h LEU 740 N 0.51 0.82 -0.06 5.20 5.85 -1.54 -1.46 115.31 124.64 2ati h LEU 740 Ca 0.13 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 2ati h LEU 740 Cb 0.23 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 2ati h LEU 740 CO -0.01 1.01 0.00 0.58 -0.34 0.00 0.00 178.44 179.69 2ati h VAL 741 N 0.71 1.24 -0.09 1.05 2.07 -1.33 -2.08 116.25 117.82 2ati h VAL 741 Ca 0.10 -0.72 -0.11 0.00 0.82 0.00 0.00 66.70 66.78 2ati h VAL 741 Cb 0.73 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 2ati h VAL 741 CO 0.06 0.20 -0.44 0.40 0.02 0.00 0.00 177.57 177.80 2ati h ILE 742 N -0.17 1.32 -0.24 4.57 1.08 -1.16 -2.64 117.51 120.27 2ati h ILE 742 Ca 0.02 -1.59 -0.16 0.00 -0.39 0.00 0.00 64.86 62.73 2ati h ILE 742 Cb 0.31 1.74 -0.00 0.00 -3.07 0.00 0.00 36.82 35.80 2ati h ILE 742 CO 0.00 0.47 -0.51 0.44 -0.69 0.00 0.00 178.15 177.86 2ati h ASP 743 N 0.18 0.76 0.04 1.72 3.32 -1.24 -2.02 116.42 119.17 2ati h ASP 743 Ca 0.01 -0.39 -0.08 0.00 0.02 0.00 0.00 57.03 56.59 2ati h ASP 743 Cb 0.85 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 2ati h ASP 743 CO 0.07 1.14 -0.23 1.56 -1.72 0.00 0.00 179.24 180.06 2ati h GLN 744 N 0.54 0.33 0.12 3.56 4.20 -1.20 -0.21 115.11 122.44 2ati h GLN 744 Ca 0.02 -0.11 -0.29 0.00 0.06 0.00 0.00 58.65 58.33 2ati h GLN 744 Cb 1.08 -0.03 0.02 0.00 0.30 0.00 0.00 27.48 28.85 2ati h GLN 744 CO 0.11 0.54 -1.24 0.82 -0.67 0.00 0.00 178.83 178.39 2ati h ILE 745 N 0.30 1.32 0.03 2.54 2.04 -1.38 -1.11 117.51 121.25 2ati h ILE 745 Ca 0.05 -2.55 -0.23 0.00 1.00 0.00 0.00 64.86 63.13 2ati h ILE 745 Cb 0.57 2.73 -0.00 0.00 -0.74 0.00 0.00 36.82 39.37 2ati h ILE 745 CO 0.04 0.77 -0.99 -0.78 0.00 0.00 0.00 178.15 177.18 2ati h ASP 746 N 0.24 0.41 1.04 1.72 3.58 -1.23 -3.31 116.42 118.88 2ati h ASP 746 Ca -0.18 -0.36 0.00 0.00 0.42 0.00 0.00 57.03 56.91 2ati h ASP 746 Cb 1.91 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.84 2ati h ASP 746 CO 0.23 1.19 -0.27 0.59 -2.88 0.00 0.00 179.24 178.10 2ati n ASN 747 N -3.66 0.56 -0.21 2.28 3.02 -0.10 -4.71 115.26 112.43 2ati n ASN 747 Ca -0.06 0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.79 2ati n ASN 747 Cb 0.87 -0.28 0.00 0.00 -0.61 0.00 0.00 39.78 39.76 2ati n ASN 747 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ati n GLY 748 N 1.39 1.01 0.14 7.41 0.00 -1.19 -4.81 105.19 109.14 2ati n GLY 748 Ca 0.05 -0.35 0.01 0.00 0.00 0.00 0.00 46.02 45.73 2ati n GLY 748 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2ati h PHE 749 N 0.00 0.00 -0.02 1.61 3.57 -1.49 -2.78 116.94 117.83 2ati h PHE 749 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2ati h PHE 749 Cb 0.49 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.23 2ati h PHE 749 CO 0.00 0.59 -0.18 1.19 -2.23 0.00 0.00 178.31 177.68 2ati n PHE 750 N -3.46 0.00 -3.03 0.41 3.72 -1.25 -4.61 117.46 109.24 2ati n PHE 750 Ca 0.00 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.25 2ati n PHE 750 Cb 0.68 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.19 2ati n PHE 750 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2ati n SER 751 N 0.79 -1.85 0.00 4.37 3.41 -1.17 -4.74 113.62 114.44 2ati n SER 751 Ca 0.12 -2.77 -0.00 0.00 -0.26 0.00 0.00 58.87 55.96 2ati n SER 751 Cb 0.53 0.65 0.29 0.00 -0.26 0.00 0.00 64.21 65.42 2ati n SER 751 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2ati h PRO 752 N 4.90 0.51 0.00 4.33 0.11 -1.75 -3.03 132.00 137.07 2ati h PRO 752 Ca 0.10 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 66.09 2ati h PRO 752 Cb 1.00 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.04 2ati h PRO 752 CO 0.25 0.56 -0.12 0.87 -0.21 0.00 0.00 178.00 179.35 2ati h LYS 753 N 0.49 0.00 -2.31 1.05 1.79 -1.96 -3.38 116.57 112.25 2ati h LYS 753 Ca 0.10 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 58.01 2ati h LYS 753 Cb 0.37 0.00 -0.37 0.00 -1.58 0.00 0.00 32.23 30.65 2ati h LYS 753 CO 0.01 0.00 -0.94 -0.65 -1.08 0.00 0.00 179.45 176.79 2ati s GLN 754 N -3.16 0.87 0.54 3.15 -0.21 -1.16 -5.02 119.66 114.67 2ati s GLN 754 Ca 0.08 -1.97 0.20 0.00 0.02 0.00 0.00 55.36 53.69 2ati s GLN 754 Cb 0.10 -1.32 1.41 0.00 1.00 0.00 0.00 33.01 34.19 2ati s GLN 754 CO 0.64 -1.37 2.17 -1.35 -2.12 0.00 0.00 175.29 173.26 2ati h PRO 755 N 5.74 0.00 -0.63 2.91 0.11 -1.73 -2.74 132.00 135.67 2ati h PRO 755 Ca 0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.35 2ati h PRO 755 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 2ati h PRO 755 CO 0.34 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.73 2ati n ASP 756 N -4.36 5.21 -0.15 -2.05 5.68 -1.26 -3.86 116.55 115.75 2ati n ASP 756 Ca -0.02 -2.69 -0.09 0.00 -0.50 0.00 0.00 54.79 51.49 2ati n ASP 756 Cb 0.11 -0.64 0.00 0.00 -1.14 0.00 0.00 41.12 39.45 2ati n ASP 756 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 2ati h LEU 757 N 3.98 0.62 -3.41 -2.12 5.85 -1.84 -3.04 115.31 115.36 2ati h LEU 757 Ca 0.00 -0.18 -0.35 0.00 0.84 0.00 0.00 57.88 58.19 2ati h LEU 757 Cb 1.71 -0.16 -0.21 0.00 0.37 0.00 0.00 40.66 42.37 2ati h LEU 757 CO 0.37 0.63 0.45 0.49 -0.34 0.00 0.00 178.44 180.03 2ati n PHE 758 N -4.59 2.18 -0.19 1.25 3.72 -1.26 -4.47 117.46 114.10 2ati n PHE 758 Ca 0.01 -1.42 -0.04 0.00 -0.05 0.00 0.00 57.45 55.95 2ati n PHE 758 Cb 0.16 -0.73 0.15 0.00 -0.94 0.00 0.00 39.48 38.12 2ati n PHE 758 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2ati h LYS 759 N 0.86 0.97 -0.05 -1.08 3.64 -1.87 -2.39 116.57 116.64 2ati h LYS 759 Ca 0.43 -0.18 -0.08 0.00 -1.27 0.00 0.00 60.65 59.56 2ati h LYS 759 Cb 2.31 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 33.96 2ati h LYS 759 CO 0.77 0.81 -0.34 -0.44 -2.27 0.00 0.00 179.45 177.99 2ati h ASP 760 N 0.94 0.10 -0.14 4.20 3.45 -1.85 -1.33 116.42 121.78 2ati h ASP 760 Ca 0.21 -0.03 -0.13 0.00 0.43 0.00 0.00 57.03 57.51 2ati h ASP 760 Cb 0.24 -0.03 0.00 0.00 -0.56 0.00 0.00 39.33 38.98 2ati h ASP 760 CO -0.01 0.44 -0.40 0.40 -1.57 0.00 0.00 179.24 178.09 2ati h ILE 761 N 0.09 1.36 -0.58 0.35 2.04 -1.78 -2.44 117.51 116.54 2ati h ILE 761 Ca 0.01 -1.69 -0.10 0.00 1.00 0.00 0.00 64.86 64.08 2ati h ILE 761 Cb 0.64 2.05 -0.02 0.00 -0.74 0.00 0.00 36.82 38.76 2ati h ILE 761 CO 0.05 0.51 -0.04 0.40 0.00 0.00 0.00 178.15 179.06 2ati h ILE 762 N 0.14 1.27 -0.62 -0.67 1.08 -1.27 -1.15 117.51 116.29 2ati h ILE 762 Ca -0.01 -1.20 -0.08 0.00 -0.39 0.00 0.00 64.86 63.18 2ati h ILE 762 Cb 1.02 0.86 -0.02 0.00 -3.07 0.00 0.00 36.82 35.61 2ati h ILE 762 CO 0.09 0.43 0.06 -1.13 -0.69 0.00 0.00 178.15 176.91 2ati h ASN 763 N 0.95 1.00 -0.16 1.72 -1.24 -1.28 -2.26 115.58 114.31 2ati h ASN 763 Ca 0.16 -0.25 -0.07 0.00 0.71 0.00 0.00 56.30 56.85 2ati h ASN 763 Cb 0.61 -0.27 -0.00 0.00 0.73 0.00 0.00 38.32 39.39 2ati h ASN 763 CO 0.04 1.02 -0.17 -0.03 -1.29 0.00 0.00 177.43 177.00 2ati h MET 764 N 0.97 0.40 -0.93 6.67 4.05 -1.27 -2.37 114.93 122.46 2ati h MET 764 Ca 0.19 -0.22 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 2ati h MET 764 Cb 0.47 0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 31.24 2ati h MET 764 CO 0.02 0.78 0.59 -0.07 0.23 0.00 0.00 176.91 178.46 2ati h LEU 765 N 0.04 1.09 0.17 3.39 -0.00 -1.06 -1.46 115.31 117.48 2ati h LEU 765 Ca 0.02 -0.04 -0.31 0.00 -0.00 0.00 0.00 57.88 57.55 2ati h LEU 765 Cb 0.71 -0.27 0.01 0.00 -0.00 0.00 0.00 40.66 41.11 2ati h LEU 765 CO 0.04 0.81 -1.50 -0.26 -0.00 0.00 0.00 178.44 177.53 2ati h PHE 766 N 1.27 0.67 0.00 1.13 -1.00 -1.48 -3.42 116.94 114.11 2ati h PHE 766 Ca 0.34 -0.49 -0.18 0.00 2.81 0.00 0.00 57.97 60.45 2ati h PHE 766 Cb -0.11 -0.03 -0.03 0.00 3.61 0.00 0.00 35.95 39.39 2ati h PHE 766 CO 0.00 1.59 -1.68 0.66 -1.61 0.00 0.00 178.31 177.27 2ati n TYR 767 N -3.77 0.00 -2.47 -0.55 4.02 -0.89 -4.19 117.16 109.31 2ati n TYR 767 Ca -0.22 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.41 2ati n TYR 767 Cb 1.00 -0.47 0.00 0.00 -0.02 0.00 0.00 39.34 39.85 2ati n TYR 767 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 2ati n HIS 768 N -2.64 3.27 -3.53 -0.72 8.25 -0.63 -5.01 115.22 114.21 2ati n HIS 768 Ca -0.19 -3.06 -0.41 0.00 -0.26 0.00 0.00 57.72 53.80 2ati n HIS 768 Cb 0.77 -0.11 -0.08 0.00 1.12 0.00 0.00 29.99 31.69 2ati n HIS 768 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2ati s ASP 769 N -3.52 5.78 0.16 0.41 2.15 -0.72 -4.80 116.67 116.12 2ati s ASP 769 Ca 0.47 -2.02 0.24 0.00 0.43 0.00 0.00 52.55 51.67 2ati s ASP 769 Cb 0.40 -2.03 0.91 0.00 -0.30 0.00 0.00 42.92 41.91 2ati s ASP 769 CO -0.17 -0.68 1.73 0.54 -0.17 0.00 0.00 175.17 176.43 2ati n ARG 770 N 4.78 0.15 -0.49 4.34 1.74 -1.26 -3.41 116.66 122.51 2ati n ARG 770 Ca -0.06 0.25 0.08 0.00 -0.77 0.00 0.00 57.85 57.35 2ati n ARG 770 Cb 0.41 -1.72 0.28 0.00 -1.02 0.00 0.00 32.46 30.40 2ati n ARG 770 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2ati n PHE 771 N -2.00 1.10 -3.72 -1.55 3.72 -1.26 -5.03 117.46 108.72 2ati n PHE 771 Ca 0.04 -0.78 -0.17 0.00 -0.05 0.00 0.00 57.45 56.49 2ati n PHE 771 Cb 0.31 -0.30 0.01 0.00 -0.94 0.00 0.00 39.48 38.55 2ati n PHE 771 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2ati n LYS 772 N -0.06 -0.70 -0.10 -1.08 5.02 -1.22 -4.76 118.16 115.26 2ati n LYS 772 Ca 0.21 -0.20 -0.08 0.00 -2.02 0.00 0.00 58.31 56.23 2ati n LYS 772 Cb 0.88 -0.47 0.00 0.00 -0.02 0.00 0.00 35.03 35.42 2ati n LYS 772 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2ati h VAL 773 N 0.77 1.02 0.00 -0.18 2.07 -1.93 -2.88 116.25 115.11 2ati h VAL 773 Ca -0.28 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.06 2ati h VAL 773 Cb 0.56 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 2ati h VAL 773 CO 0.19 0.07 -0.22 -0.26 0.02 0.00 0.00 177.57 177.38 2ati h PHE 774 N 0.39 0.00 0.00 1.57 0.05 -1.91 -2.71 116.94 114.32 2ati h PHE 774 Ca 0.14 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.93 2ati h PHE 774 Cb 0.02 0.00 0.00 0.00 2.00 0.00 0.00 35.95 37.97 2ati h PHE 774 CO -0.08 0.22 0.00 0.00 -0.18 0.00 0.00 178.31 178.26 2ati h ALA 775 N 1.78 1.00 -0.01 2.45 0.00 -1.90 -3.18 119.26 119.41 2ati h ALA 775 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ati h ALA 775 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2ati h ALA 775 CO 0.03 0.00 -0.31 -0.25 0.00 0.00 0.00 179.25 178.72 2ati n ASP 776 N -2.86 1.05 0.06 0.00 8.00 -1.06 -4.75 116.55 117.00 2ati n ASP 776 Ca 0.02 -1.03 -0.12 0.00 0.71 0.00 0.00 54.79 54.38 2ati n ASP 776 Cb 0.36 0.62 -0.05 0.00 -0.02 0.00 0.00 41.12 42.03 2ati n ASP 776 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2ati h TYR 777 N 0.87 -0.76 -0.00 1.24 3.20 -1.46 -1.55 116.97 118.50 2ati h TYR 777 Ca 0.00 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.92 2ati h TYR 777 Cb 0.34 0.34 -0.03 0.00 1.54 0.00 0.00 36.73 38.91 2ati h TYR 777 CO 0.00 -0.38 -0.15 1.49 -1.64 0.00 0.00 178.16 177.48 2ati h GLU 778 N -0.43 -0.24 0.00 1.82 4.81 -1.85 -1.06 114.58 117.62 2ati h GLU 778 Ca 0.06 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 2ati h GLU 778 Cb 0.51 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.94 2ati h GLU 778 CO -0.24 -0.16 -0.15 0.00 -0.73 0.00 0.00 179.01 177.73 2ati h ALA 779 N 0.69 1.53 -0.01 2.92 0.00 -1.86 -1.90 119.26 120.63 2ati h ALA 779 Ca 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2ati h ALA 779 Cb 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2ati h ALA 779 CO -0.15 0.19 -0.09 -0.92 0.00 0.00 0.00 179.25 178.28 2ati h TYR 780 N 0.00 0.11 -0.64 0.00 3.20 -0.87 -1.90 116.97 116.86 2ati h TYR 780 Ca -0.00 -0.05 -0.05 0.00 3.14 0.00 0.00 58.73 61.77 2ati h TYR 780 Cb 0.32 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.54 2ati h TYR 780 CO 0.00 0.79 0.21 0.28 -1.64 0.00 0.00 178.16 177.80 2ati h VAL 781 N -0.60 1.24 -0.44 1.81 2.07 -1.04 0.58 116.25 119.86 2ati h VAL 781 Ca -0.01 -0.81 -0.12 0.00 0.82 0.00 0.00 66.70 66.58 2ati h VAL 781 Cb 0.81 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 2ati h VAL 781 CO 0.02 0.32 -0.20 0.11 0.02 0.00 0.00 177.57 177.84 2ati h LYS 782 N 0.95 0.87 -0.21 1.57 1.57 -1.42 -1.83 116.57 118.06 2ati h LYS 782 Ca 0.21 -0.35 -0.16 0.00 -1.87 0.00 0.00 60.65 58.49 2ati h LYS 782 Cb 0.26 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 2ati h LYS 782 CO -0.01 0.99 -0.52 0.00 -0.57 0.00 0.00 179.45 179.34 2ati h GLN 784 N 0.47 0.00 -0.13 0.00 1.08 -0.65 -2.12 115.11 113.75 2ati h GLN 784 Ca 0.02 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.06 2ati h GLN 784 Cb 1.06 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.48 2ati h GLN 784 CO 0.10 0.31 -0.59 -0.44 -0.95 0.00 0.00 178.83 177.26 2ati h ASP 785 N 0.00 0.47 0.12 1.46 3.32 -1.18 -2.31 116.42 118.30 2ati h ASP 785 Ca -0.00 -0.26 -0.13 0.00 0.02 0.00 0.00 57.03 56.66 2ati h ASP 785 Cb 0.68 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 2ati h ASP 785 CO 0.04 0.95 -0.47 0.11 -1.72 0.00 0.00 179.24 178.15 2ati h LYS 786 N 0.31 0.41 -0.26 3.56 1.57 -1.26 -1.99 116.57 118.91 2ati h LYS 786 Ca -0.00 -0.22 -0.04 0.00 -1.87 0.00 0.00 60.65 58.51 2ati h LYS 786 Cb 1.12 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 2ati h LYS 786 CO 0.10 0.79 0.01 0.28 -0.57 0.00 0.00 179.45 180.06 2ati h VAL 787 N 0.33 1.25 -0.82 0.50 2.07 -1.24 -2.49 116.25 115.85 2ati h VAL 787 Ca 0.02 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 2ati h VAL 787 Cb 0.94 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.99 2ati h VAL 787 CO 0.08 0.28 0.49 0.28 0.02 0.00 0.00 177.57 178.72 2ati h SER 788 N 0.25 0.99 -0.59 0.57 0.02 -1.26 -1.76 113.55 111.78 2ati h SER 788 Ca 0.08 -0.06 -0.10 0.00 -0.84 0.00 0.00 61.79 60.86 2ati h SER 788 Cb 0.40 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 2ati h SER 788 CO 0.01 0.77 -0.03 1.56 -1.14 0.00 0.00 176.83 178.00 2ati h GLN 789 N 1.14 1.07 -0.05 3.45 1.08 -1.28 -2.91 115.11 117.61 2ati h GLN 789 Ca 0.30 -0.36 -0.13 0.00 -1.45 0.00 0.00 58.65 57.00 2ati h GLN 789 Cb -0.03 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.30 2ati h GLN 789 CO -0.05 1.06 -0.58 1.25 -0.95 0.00 0.00 178.83 179.56 2ati h LEU 790 N 0.96 0.19 -1.90 1.46 5.85 -1.09 -3.06 115.31 117.73 2ati h LEU 790 Ca 0.16 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 2ati h LEU 790 Cb 0.60 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.57 2ati h LEU 790 CO 0.04 0.73 -0.10 0.22 -0.34 0.00 0.00 178.44 178.99 2ati h TYR 791 N 0.13 0.00 0.00 1.25 3.20 -1.12 -1.58 116.97 118.84 2ati h TYR 791 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2ati h TYR 791 Cb 1.05 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.32 2ati h TYR 791 CO 0.01 0.10 0.00 -1.33 -1.64 0.00 0.00 178.16 175.30 2ati n MET 792 N -3.46 0.30 -3.86 1.82 2.81 -1.16 -4.20 117.12 109.37 2ati n MET 792 Ca -0.01 0.04 -0.30 0.00 -1.81 0.00 0.00 57.70 55.62 2ati n MET 792 Cb 0.25 -1.50 -0.13 0.00 -0.71 0.00 0.00 33.22 31.12 2ati n MET 792 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 2ati s ASN 793 N -2.65 4.07 0.32 7.83 3.84 -0.59 -4.99 114.94 122.76 2ati s ASN 793 Ca 0.23 -2.92 0.04 0.00 0.21 0.00 0.00 52.86 50.42 2ati s ASN 793 Cb 0.18 -1.41 0.66 0.00 -0.55 0.00 0.00 41.25 40.13 2ati s ASN 793 CO 0.42 -0.24 1.88 -0.65 -2.79 0.00 0.00 177.10 175.72 2ati h PRO 794 N 6.51 0.85 -0.61 0.43 0.11 -1.77 -1.33 132.00 136.20 2ati h PRO 794 Ca -0.04 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.97 2ati h PRO 794 Cb 0.90 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.79 2ati h PRO 794 CO 0.61 0.56 0.20 -0.22 -0.21 0.00 0.00 178.00 178.95 2ati h LYS 795 N 0.87 0.94 -0.14 1.05 3.64 -1.94 -0.17 116.57 120.81 2ati h LYS 795 Ca 0.43 -0.19 -0.20 0.00 -1.27 0.00 0.00 60.65 59.41 2ati h LYS 795 Cb 0.47 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2ati h LYS 795 CO -0.19 0.82 -0.73 0.00 -2.27 0.00 0.00 179.45 177.08 2ati h ALA 796 N 1.07 0.44 0.24 5.00 0.00 -1.77 -2.48 119.26 121.76 2ati h ALA 796 Ca 0.20 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2ati h ALA 796 Cb 0.27 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2ati h ALA 796 CO -0.01 0.71 -0.12 2.35 0.00 0.00 0.00 179.25 182.18 2ati h TRP 797 N 0.46 -0.30 0.00 0.00 2.91 -1.08 -2.30 115.95 115.64 2ati h TRP 797 Ca -0.04 -0.01 -0.05 0.00 1.13 0.00 0.00 58.89 59.93 2ati h TRP 797 Cb 1.33 0.10 -0.01 0.00 -0.51 0.00 0.00 29.16 30.08 2ati h TRP 797 CO 0.07 -0.10 -0.23 -0.91 -1.03 0.00 0.00 178.44 176.24 2ati h ASN 798 N -0.45 0.00 -0.22 2.65 2.35 -1.09 -1.08 115.58 117.74 2ati h ASN 798 Ca -0.03 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.52 2ati h ASN 798 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 2ati h ASN 798 CO 0.06 0.23 -0.61 0.74 -1.65 0.00 0.00 177.43 176.20 2ati h THR 799 N 0.00 1.28 -0.27 2.81 2.02 -1.37 -1.67 112.91 115.71 2ati h THR 799 Ca -0.00 -1.80 -0.13 0.00 0.77 0.00 0.00 66.41 65.25 2ati h THR 799 Cb 0.54 1.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.67 2ati h THR 799 CO 0.03 0.58 -0.37 -0.03 0.37 0.00 0.00 175.52 176.10 2ati h MET 800 N 0.62 0.60 -0.46 6.66 1.85 -0.97 -2.34 114.93 120.88 2ati h MET 800 Ca -0.00 -0.29 -0.01 0.00 -0.61 0.00 0.00 59.70 58.78 2ati h MET 800 Cb 1.21 -0.00 -0.02 0.00 0.43 0.00 0.00 31.60 33.22 2ati h MET 800 CO 0.13 0.88 0.24 0.28 -0.40 0.00 0.00 176.91 178.04 2ati h VAL 801 N 0.50 1.18 -0.74 -5.77 2.07 -1.04 -2.20 116.25 110.25 2ati h VAL 801 Ca 0.05 -0.47 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 2ati h VAL 801 Cb 0.87 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 2ati h VAL 801 CO 0.07 0.19 0.32 0.25 0.02 0.00 0.00 177.57 178.42 2ati h LEU 802 N 0.61 0.98 -1.51 2.57 5.85 -1.11 -0.67 115.31 122.02 2ati h LEU 802 Ca 0.16 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 2ati h LEU 802 Cb 0.09 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 2ati h LEU 802 CO -0.02 0.86 -0.25 0.11 -0.34 0.00 0.00 178.44 178.80 2ati h LYS 803 N 1.06 0.00 0.00 1.25 1.57 -1.11 -0.41 116.57 118.93 2ati h LYS 803 Ca 0.25 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2ati h LYS 803 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2ati h LYS 803 CO -0.03 0.25 -0.00 -0.91 -0.57 0.00 0.00 179.45 178.19 2ati h ASN 804 N 0.00 0.00 -0.38 0.86 2.35 -0.65 -2.99 115.58 114.77 2ati h ASN 804 Ca -0.00 -0.80 -0.01 0.00 -0.55 0.00 0.00 56.30 54.94 2ati h ASN 804 Cb 0.45 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.80 2ati h ASN 804 CO 0.03 0.80 0.22 0.40 -1.65 0.00 0.00 177.43 177.23 2ati h ILE 805 N -0.80 1.14 0.00 2.81 2.04 -1.05 -1.72 117.51 119.94 2ati h ILE 805 Ca -0.00 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.51 2ati h ILE 805 Cb 0.81 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 37.56 2ati h ILE 805 CO 0.00 0.14 -0.00 0.00 0.00 0.00 0.00 178.15 178.29 2ati h ALA 806 N 1.08 1.02 -0.31 1.87 0.00 -1.19 -2.14 119.26 119.60 2ati h ALA 806 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2ati h ALA 806 Cb 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2ati h ALA 806 CO -0.02 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.23 2ati n ALA 807 N -2.09 2.19 1.29 0.00 0.00 -0.90 -2.87 120.51 118.13 2ati n ALA 807 Ca -0.02 -1.10 0.14 0.00 0.00 0.00 0.00 53.44 52.46 2ati n ALA 807 Cb 0.14 -0.41 0.63 0.00 0.00 0.00 0.00 19.45 19.80 2ati n ALA 807 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2ati n SER 808 N 0.47 0.23 -0.34 0.00 3.41 -0.70 -4.39 113.62 112.30 2ati n SER 808 Ca 0.11 -0.19 0.19 0.00 -0.26 0.00 0.00 58.87 58.72 2ati n SER 808 Cb 0.41 -0.19 0.42 0.00 -0.26 0.00 0.00 64.21 64.58 2ati n SER 808 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2ati h GLY 809 N 4.99 1.83 2.00 5.00 0.00 -1.76 -1.79 103.07 113.33 2ati h GLY 809 Ca 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 2ati h GLY 809 CO 0.00 -0.26 -0.10 1.70 0.00 0.00 0.00 176.54 177.88 2ati h LYS 810 N 0.52 0.00 -0.68 4.80 3.64 -1.86 -3.11 116.57 119.88 2ati h LYS 810 Ca 0.65 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.03 2ati h LYS 810 Cb 1.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 2ati h LYS 810 CO -0.47 0.10 0.00 1.19 -2.27 0.00 0.00 179.45 178.00 2ati n PHE 811 N -4.20 0.17 -2.85 1.91 3.72 -0.67 -4.72 117.46 110.82 2ati n PHE 811 Ca -0.03 -0.07 -0.40 0.00 -0.05 0.00 0.00 57.45 56.91 2ati n PHE 811 Cb 0.18 -0.10 -0.05 0.00 -0.94 0.00 0.00 39.48 38.57 2ati n PHE 811 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2ati s SER 812 N -0.37 7.40 0.17 4.37 0.15 -1.17 -0.72 113.70 123.54 2ati s SER 812 Ca 0.05 1.67 0.18 0.00 0.70 0.00 0.00 55.95 58.55 2ati s SER 812 Cb 0.04 -2.54 0.80 0.00 -1.71 0.00 0.00 66.02 62.61 2ati s SER 812 CO 0.02 0.02 1.54 -1.54 1.20 0.00 0.00 173.24 174.48 2ati n SER 813 N 2.49 0.39 -0.16 5.45 3.41 -0.48 -1.66 113.62 123.07 2ati n SER 813 Ca -0.01 0.62 -0.11 0.00 -0.26 0.00 0.00 58.87 59.12 2ati n SER 813 Cb 0.49 -0.70 -0.00 0.00 -0.26 0.00 0.00 64.21 63.74 2ati n SER 813 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2ati h ASP 814 N 0.00 0.91 -0.35 4.04 3.45 -1.92 0.70 116.42 123.25 2ati h ASP 814 Ca 0.00 -0.36 -0.07 0.00 0.43 0.00 0.00 57.03 57.03 2ati h ASP 814 Cb 0.20 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 38.72 2ati h ASP 814 CO 0.00 1.05 -0.05 -0.09 -1.57 0.00 0.00 179.24 178.59 2ati h ARG 815 N 0.75 0.65 -0.25 3.56 1.12 -1.62 -1.31 114.38 117.27 2ati h ARG 815 Ca 0.12 -0.23 -0.00 0.00 -1.11 0.00 0.00 59.98 58.76 2ati h ARG 815 Cb 0.65 -0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 30.56 2ati h ARG 815 CO 0.05 0.80 0.15 1.15 -3.11 0.00 0.00 179.97 179.00 2ati h THR 816 N 0.45 1.10 -0.12 0.20 2.02 -1.37 -2.58 112.91 112.61 2ati h THR 816 Ca 0.09 -0.23 -0.07 0.00 0.77 0.00 0.00 66.41 66.97 2ati h THR 816 Cb 0.53 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 2ati h THR 816 CO 0.03 0.09 -0.24 0.40 0.37 0.00 0.00 175.52 176.17 2ati h ILE 817 N 0.32 1.23 -0.44 3.11 1.08 -0.79 -1.66 117.51 120.35 2ati h ILE 817 Ca 0.09 -1.07 -0.07 0.00 -0.39 0.00 0.00 64.86 63.42 2ati h ILE 817 Cb 0.02 1.41 -0.02 0.00 -3.07 0.00 0.00 36.82 35.16 2ati h ILE 817 CO -0.02 0.32 -0.02 0.11 -0.69 0.00 0.00 178.15 177.86 2ati h LYS 818 N 0.20 0.73 -0.07 2.37 1.57 -0.95 0.45 116.57 120.87 2ati h LYS 818 Ca 0.03 -0.19 -0.24 0.00 -1.87 0.00 0.00 60.65 58.37 2ati h LYS 818 Cb 0.54 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.78 2ati h LYS 818 CO 0.04 0.76 -0.91 0.93 -0.57 0.00 0.00 179.45 179.70 2ati h GLU 819 N 0.68 0.73 -0.70 3.15 5.08 -1.06 -1.27 114.58 121.19 2ati h GLU 819 Ca 0.13 -0.68 -0.06 0.00 -1.00 0.00 0.00 59.36 57.75 2ati h GLU 819 Cb 0.45 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 2ati h GLU 819 CO 0.02 1.28 0.20 1.88 -1.00 0.00 0.00 179.01 181.39 2ati h TYR 820 N 0.46 1.14 -0.37 4.33 0.05 -1.13 -0.71 116.97 120.73 2ati h TYR 820 Ca -0.09 -0.12 -0.04 0.00 0.05 0.00 0.00 58.73 58.53 2ati h TYR 820 Cb 1.55 -0.33 -0.01 0.00 1.01 0.00 0.00 36.73 38.94 2ati h TYR 820 CO 0.09 0.91 0.06 0.00 -1.05 0.00 0.00 178.16 178.17 2ati h ALA 821 N 1.17 0.50 0.00 3.88 0.00 -0.84 0.01 119.26 123.98 2ati h ALA 821 Ca 0.23 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2ati h ALA 821 Cb 0.32 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2ati h ALA 821 CO -0.00 0.20 -0.06 0.37 0.00 0.00 0.00 179.25 179.76 2ati h GLN 822 N 0.46 0.04 0.00 0.00 4.15 -1.13 -0.09 115.11 118.55 2ati h GLN 822 Ca 0.11 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.49 2ati h GLN 822 Cb 0.36 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.07 2ati h GLN 822 CO 0.01 0.83 -1.05 0.09 -1.93 0.00 0.00 178.83 176.78 2ati n ASN 823 N -4.66 0.62 0.03 -0.69 3.02 -0.28 -4.41 115.26 108.88 2ati n ASN 823 Ca -0.09 -0.02 -0.01 0.00 -0.03 0.00 0.00 54.58 54.42 2ati n ASN 823 Cb 0.42 0.73 -0.00 0.00 -0.61 0.00 0.00 39.78 40.32 2ati n ASN 823 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 2ati n ILE 824 N -2.17 0.78 0.14 2.41 5.41 -0.62 -4.89 119.36 120.42 2ati n ILE 824 Ca 0.01 0.24 0.04 0.00 1.00 0.00 0.00 62.75 64.04 2ati n ILE 824 Cb 0.47 -1.58 0.03 0.00 -0.71 0.00 0.00 39.64 37.86 2ati n ILE 824 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 2ati h TRP 825 N -0.04 0.00 -5.13 1.39 6.55 -1.14 -3.49 115.95 114.10 2ati h TRP 825 Ca -0.01 0.00 -0.31 0.00 0.95 0.00 0.00 58.89 59.52 2ati h TRP 825 Cb 0.42 0.00 0.13 0.00 -0.86 0.00 0.00 29.16 28.85 2ati h TRP 825 CO -0.01 0.43 -0.62 -1.71 -1.05 0.00 0.00 178.44 175.48 2ati n ASN 826 N -3.16 -3.76 -4.47 -3.49 5.15 -0.12 -4.93 115.26 100.49 2ati n ASN 826 Ca 0.01 -0.50 -0.26 0.00 -0.60 0.00 0.00 54.58 53.23 2ati n ASN 826 Cb 0.72 -4.41 -0.11 0.00 -0.53 0.00 0.00 39.78 35.44 2ati n ASN 826 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2ati s VAL 827 N -3.29 2.57 -0.09 3.44 -7.23 -0.77 -4.96 120.40 110.06 2ati s VAL 827 Ca 0.23 -2.08 0.03 0.00 -1.81 0.00 0.00 61.98 58.36 2ati s VAL 827 Cb -0.10 -2.28 -0.01 0.00 0.56 0.00 0.00 36.38 34.55 2ati s VAL 827 CO 0.62 -0.21 -0.20 -0.70 -0.31 0.00 0.00 175.10 174.30 2ati s GLU 828 N -2.98 2.98 0.33 4.82 2.12 -1.26 -4.31 118.70 120.39 2ati s GLU 828 Ca 0.25 -0.81 -0.29 0.00 0.36 0.00 0.00 54.97 54.48 2ati s GLU 828 Cb -0.07 -2.37 -0.10 0.00 0.26 0.00 0.00 34.13 31.85 2ati s GLU 828 CO 0.13 0.28 1.27 -2.14 -0.54 0.00 0.00 175.26 174.26 2ati s PRO 829 N 0.12 4.36 0.20 4.30 0.02 -1.26 -4.81 135.00 137.94 2ati s PRO 829 Ca -0.10 2.14 -0.07 0.00 0.02 0.00 0.00 61.00 62.99 2ati s PRO 829 Cb -0.16 -3.06 -0.02 0.00 0.02 0.00 0.00 34.50 31.29 2ati s PRO 829 CO 0.06 -0.15 0.28 -1.54 -0.33 0.00 0.00 177.00 175.32 2ati s SER 830 N -0.58 0.05 0.00 2.53 1.04 -0.60 -5.03 113.70 111.11 2ati s SER 830 Ca 0.49 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 55.83 2ati s SER 830 Cb -0.38 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.20 2ati s SER 830 CO 0.51 -0.95 0.00 -0.90 0.98 0.00 0.00 173.24 172.88