#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 1.17 -0.89 3.53 2.07 -2.00 -2.86 116.25 117.27 2ati h VAL 24 Ca 0.00 -0.52 0.04 0.00 0.82 0.00 0.00 66.70 67.03 2ati h VAL 24 Cb 0.00 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 2ati h VAL 24 CO 0.00 0.16 0.59 0.00 0.02 0.00 0.00 177.57 178.34 2ati h ALA 25 N 0.88 1.45 0.00 1.67 0.00 -2.00 -2.14 119.26 119.11 2ati h ALA 25 Ca 0.05 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 2ati h ALA 25 Cb 0.20 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2ati h ALA 25 CO -0.00 0.46 -0.69 0.93 0.00 0.00 0.00 179.25 179.95 2ati h GLU 26 N 1.11 0.00 -0.22 0.00 4.39 -1.99 -2.53 114.58 115.34 2ati h GLU 26 Ca 0.36 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.92 2ati h GLU 26 Cb 0.04 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 2ati h GLU 26 CO -0.11 0.69 -0.44 -0.07 -1.16 0.00 0.00 179.01 177.91 2ati h LEU 27 N 0.00 0.59 -0.25 1.33 3.38 -1.19 -0.88 115.31 118.29 2ati h LEU 27 Ca -0.01 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 57.60 2ati h LEU 27 Cb 1.35 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 2ati h LEU 27 CO 0.09 0.96 -0.19 0.11 0.09 0.00 0.00 178.44 179.49 2ati h LYS 28 N 0.45 0.58 -0.81 1.13 1.57 -1.36 -1.06 116.57 117.06 2ati h LYS 28 Ca 0.03 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.52 2ati h LYS 28 Cb 0.95 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.23 2ati h LYS 28 CO 0.09 0.87 0.49 -0.22 -0.57 0.00 0.00 179.45 180.10 2ati h LYS 29 N 0.29 1.10 -0.34 3.15 3.64 -1.37 -0.33 116.57 122.70 2ati h LYS 29 Ca 0.05 -0.10 -0.12 0.00 -1.27 0.00 0.00 60.65 59.21 2ati h LYS 29 Cb 0.73 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 2ati h LYS 29 CO 0.05 0.77 -0.29 0.77 -2.27 0.00 0.00 179.45 178.48 2ati h SER 30 N 1.11 0.75 -0.12 4.20 0.02 -1.05 -1.21 113.55 117.23 2ati h SER 30 Ca 0.29 -0.29 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2ati h SER 30 Cb -0.05 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.28 2ati h SER 30 CO -0.06 0.99 0.01 0.15 -1.14 0.00 0.00 176.83 176.79 2ati h PHE 31 N 0.62 0.23 -0.22 3.45 3.04 -0.75 -1.45 116.94 121.86 2ati h PHE 31 Ca 0.08 -0.03 -0.05 0.00 3.98 0.00 0.00 57.97 61.94 2ati h PHE 31 Cb 0.80 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 39.23 2ati h PHE 31 CO 0.04 0.42 -0.09 -0.91 -2.02 0.00 0.00 178.31 175.75 2ati h ASN 32 N -0.03 0.32 -0.39 0.41 -0.26 -0.97 -0.19 115.58 114.46 2ati h ASN 32 Ca 0.04 -0.06 -0.14 0.00 -0.56 0.00 0.00 56.30 55.58 2ati h ASN 32 Cb 0.32 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.49 2ati h ASN 32 CO 0.00 0.45 -0.29 -0.09 -1.06 0.00 0.00 177.43 176.45 2ati h ARG 33 N 0.33 0.89 -0.25 0.81 2.43 -1.04 -2.02 114.38 115.54 2ati h ARG 33 Ca 0.07 -0.43 -0.20 0.00 -0.81 0.00 0.00 59.98 58.61 2ati h ARG 33 Cb 0.37 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 2ati h ARG 33 CO 0.02 1.08 -0.62 0.45 -1.51 0.00 0.00 179.97 179.39 2ati h HIS 34 N 0.70 1.08 -0.78 2.20 3.86 -0.91 -0.43 115.15 120.87 2ati h HIS 34 Ca 0.08 -0.41 0.00 0.00 -1.16 0.00 0.00 60.37 58.88 2ati h HIS 34 Cb 0.87 -0.19 -0.04 0.00 1.06 0.00 0.00 27.41 29.11 2ati h HIS 34 CO 0.06 1.24 0.50 1.25 0.86 0.00 0.00 177.93 181.84 2ati h LEU 35 N 0.62 0.92 0.31 2.43 5.85 -0.97 0.50 115.31 124.96 2ati h LEU 35 Ca -0.01 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 2ati h LEU 35 Cb 1.23 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.03 2ati h LEU 35 CO 0.13 0.68 -0.15 -0.74 -0.34 0.00 0.00 178.44 178.03 2ati h HIS 36 N 1.06 -0.38 0.01 1.25 2.76 -1.32 -1.56 115.15 116.98 2ati h HIS 36 Ca 0.28 -0.01 -0.25 0.00 -2.20 0.00 0.00 60.37 58.19 2ati h HIS 36 Cb -0.09 0.13 0.01 0.00 1.55 0.00 0.00 27.41 29.01 2ati h HIS 36 CO -0.01 -0.24 -1.03 0.74 -1.30 0.00 0.00 177.93 176.09 2ati h PHE 37 N -0.73 0.84 0.12 5.26 0.04 -1.11 -2.24 116.94 119.12 2ati h PHE 37 Ca -0.04 -0.47 -0.34 0.00 2.80 0.00 0.00 57.97 59.92 2ati h PHE 37 Cb 0.31 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 2ati h PHE 37 CO 0.04 1.30 -1.81 1.15 -0.60 0.00 0.00 178.31 178.40 2ati h THR 38 N 0.31 0.75 0.00 -1.55 2.02 -1.11 -3.39 112.91 109.93 2ati h THR 38 Ca -0.11 -2.35 0.00 0.00 0.77 0.00 0.00 66.41 64.72 2ati h THR 38 Cb 1.67 2.53 0.00 0.00 -1.74 0.00 0.00 68.15 70.61 2ati h THR 38 CO 0.19 0.80 -0.94 0.18 0.37 0.00 0.00 175.52 176.12 2ati n LEU 39 N -3.67 0.63 -3.65 2.58 7.99 -0.57 -5.00 117.00 115.31 2ati n LEU 39 Ca -0.30 -0.05 -0.22 0.00 -0.01 0.00 0.00 56.01 55.42 2ati n LEU 39 Cb 0.99 -0.11 0.05 0.00 -0.11 0.00 0.00 43.42 44.24 2ati n LEU 39 CO 0.41 0.07 0.04 0.52 -1.51 0.00 0.00 177.39 176.92 2ati n VAL 40 N -1.86 -4.34 -4.13 4.08 0.31 -0.78 -4.98 118.33 106.64 2ati n VAL 40 Ca 0.03 -0.37 -0.10 0.00 -0.01 0.00 0.00 64.34 63.89 2ati n VAL 40 Cb 0.41 -3.99 -0.10 0.00 -0.91 0.00 0.00 33.84 29.25 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 -5.95 0.72 0.46 5.55 -0.14 -0.66 -5.01 119.74 114.70 2ati s LYS 41 Ca 0.17 -1.22 0.06 0.00 -1.36 0.00 0.00 55.97 53.61 2ati s LYS 41 Cb -0.08 -0.06 -0.03 0.00 -1.68 0.00 0.00 37.83 35.97 2ati s LYS 41 CO 0.78 -0.04 0.15 0.16 -0.76 0.00 0.00 175.35 175.64 2ati s ASP 42 N -2.82 4.30 0.33 2.83 -4.77 -1.26 -3.72 116.67 111.56 2ati s ASP 42 Ca 0.07 -1.28 0.24 0.00 -3.30 0.00 0.00 52.55 48.28 2ati s ASP 42 Cb 0.04 -0.10 1.19 0.00 -1.09 0.00 0.00 42.92 42.96 2ati s ASP 42 CO -0.06 -0.69 1.74 0.03 0.70 0.00 0.00 175.17 176.89 2ati h ARG 43 N 1.36 0.00 -0.08 2.11 2.47 -1.99 -2.81 114.38 115.44 2ati h ARG 43 Ca -0.42 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.13 2ati h ARG 43 Cb 1.27 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.60 2ati h ARG 43 CO 0.71 0.00 -0.62 -0.91 0.56 0.00 0.00 179.97 179.71 2ati h ASN 44 N 0.00 0.69 -0.10 7.04 2.35 -2.05 -3.37 115.58 120.15 2ati h ASN 44 Ca 0.00 -0.67 0.00 0.00 -0.55 0.00 0.00 56.30 55.08 2ati h ASN 44 Cb 0.16 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.32 2ati h ASN 44 CO 0.00 1.25 0.00 1.33 -1.65 0.00 0.00 177.43 178.36 2ati n VAL 45 N -4.14 1.31 -2.53 2.81 0.24 -1.18 -5.04 118.33 109.80 2ati n VAL 45 Ca -0.09 -1.36 -0.40 0.00 -2.04 0.00 0.00 64.34 60.45 2ati n VAL 45 Cb 0.67 0.27 -0.05 0.00 -1.47 0.00 0.00 33.84 33.26 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 -1.58 3.39 0.55 2.33 0.00 -1.07 -4.95 121.76 120.44 2ati s ALA 46 Ca 0.16 0.84 0.03 0.00 0.00 0.00 0.00 51.96 52.98 2ati s ALA 46 Cb 0.12 -3.31 0.04 0.00 0.00 0.00 0.00 23.12 19.97 2ati s ALA 46 CO 0.05 -0.10 0.77 0.95 0.00 0.00 0.00 175.76 177.43 2ati s THR 47 N -1.04 2.62 0.36 0.00 -4.23 -1.26 -4.98 115.64 107.11 2ati s THR 47 Ca 0.44 -0.73 0.08 0.00 -1.18 0.00 0.00 61.69 60.31 2ati s THR 47 Cb -0.31 -2.89 0.14 0.00 1.34 0.00 0.00 72.50 70.78 2ati s THR 47 CO 0.39 0.00 1.87 0.74 -0.54 0.00 0.00 174.62 177.08 2ati h THR 48 N 0.09 1.20 -0.41 3.99 2.02 -1.99 -2.40 112.91 115.41 2ati h THR 48 Ca -0.40 -0.91 -0.09 0.00 0.77 0.00 0.00 66.41 65.78 2ati h THR 48 Cb 1.29 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 68.94 2ati h THR 48 CO 0.49 0.28 -0.10 -0.09 0.37 0.00 0.00 175.52 176.47 2ati h ARG 49 N 0.26 0.73 -0.54 6.66 2.43 -1.95 -0.60 114.38 121.37 2ati h ARG 49 Ca 0.05 -0.23 -0.10 0.00 -0.81 0.00 0.00 59.98 58.89 2ati h ARG 49 Cb 0.44 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 2ati h ARG 49 CO 0.03 0.81 -0.05 -0.44 -1.51 0.00 0.00 179.97 178.81 2ati h ASP 50 N 0.67 0.95 -0.09 -3.80 3.32 -1.83 -1.64 116.42 114.00 2ati h ASP 50 Ca 0.12 -0.28 -0.15 0.00 0.02 0.00 0.00 57.03 56.74 2ati h ASP 50 Cb 0.56 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 2ati h ASP 50 CO 0.03 1.03 -0.45 1.88 -1.72 0.00 0.00 179.24 180.02 2ati h TYR 51 N 0.87 0.78 -0.09 4.55 0.05 -1.02 -0.79 116.97 121.31 2ati h TYR 51 Ca 0.15 -0.24 -0.01 0.00 0.05 0.00 0.00 58.73 58.68 2ati h TYR 51 Cb 0.58 -0.16 -0.00 0.00 1.01 0.00 0.00 36.73 38.16 2ati h TYR 51 CO 0.04 0.97 0.04 -0.92 -1.05 0.00 0.00 178.16 177.24 2ati h TYR 52 N 0.52 0.14 -0.79 4.88 3.20 -0.86 -2.20 116.97 121.86 2ati h TYR 52 Ca 0.03 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 2ati h TYR 52 Cb 0.98 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 39.17 2ati h TYR 52 CO 0.04 0.25 0.38 0.74 -1.64 0.00 0.00 178.16 177.94 2ati h PHE 53 N -0.01 1.12 -0.81 -3.82 0.04 -1.21 -0.51 116.94 111.76 2ati h PHE 53 Ca 0.03 -0.05 -0.04 0.00 2.80 0.00 0.00 57.97 60.72 2ati h PHE 53 Cb 0.17 -0.35 -0.04 0.00 2.20 0.00 0.00 35.95 37.93 2ati h PHE 53 CO -0.02 0.81 0.36 0.00 -0.60 0.00 0.00 178.31 178.86 2ati h ALA 54 N 1.30 1.11 -0.11 2.45 0.00 -1.03 -0.52 119.26 122.46 2ati h ALA 54 Ca 0.27 -0.17 -0.22 0.00 0.00 0.00 0.00 54.91 54.79 2ati h ALA 54 Cb 0.11 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.59 2ati h ALA 54 CO -0.04 0.65 -0.80 1.25 0.00 0.00 0.00 179.25 180.32 2ati h LEU 55 N 1.16 0.89 -0.35 0.00 5.85 -1.16 -2.47 115.31 119.24 2ati h LEU 55 Ca 0.27 -0.66 0.00 0.00 0.84 0.00 0.00 57.88 58.34 2ati h LEU 55 Cb 0.16 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 2ati h LEU 55 CO -0.03 1.41 0.23 0.00 -0.34 0.00 0.00 178.44 179.71 2ati h ALA 56 N 0.50 0.44 -0.32 1.25 0.00 -0.86 0.22 119.26 120.49 2ati h ALA 56 Ca -0.07 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 2ati h ALA 56 Cb 1.44 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 2ati h ALA 56 CO 0.16 -0.09 -0.15 0.45 0.00 0.00 0.00 179.25 179.62 2ati h HIS 57 N 0.47 0.63 -0.42 0.00 3.86 -1.13 -0.66 115.15 117.89 2ati h HIS 57 Ca 0.13 -0.11 -0.09 0.00 -1.16 0.00 0.00 60.37 59.13 2ati h HIS 57 Cb -0.04 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.25 2ati h HIS 57 CO -0.05 0.70 -0.10 1.15 0.86 0.00 0.00 177.93 180.49 2ati h THR 58 N 0.52 1.27 -0.30 2.45 2.02 -0.93 -1.16 112.91 116.78 2ati h THR 58 Ca 0.09 -1.20 -0.08 0.00 0.77 0.00 0.00 66.41 65.98 2ati h THR 58 Cb 0.56 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 2ati h THR 58 CO 0.04 0.41 -0.14 0.58 0.37 0.00 0.00 175.52 176.78 2ati h VAL 59 N 0.63 1.29 -0.82 3.16 2.07 -0.77 -3.01 116.25 118.79 2ati h VAL 59 Ca 0.11 -1.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.38 2ati h VAL 59 Cb 0.64 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 2ati h VAL 59 CO 0.04 0.39 0.44 -0.09 0.02 0.00 0.00 177.57 178.37 2ati h ARG 60 N 0.39 1.15 -0.41 1.57 2.43 -1.04 -2.13 114.38 116.34 2ati h ARG 60 Ca 0.07 -0.14 0.05 0.00 -0.81 0.00 0.00 59.98 59.15 2ati h ARG 60 Cb 0.66 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 2ati h ARG 60 CO 0.04 0.85 0.27 -0.44 -1.51 0.00 0.00 179.97 179.19 2ati h ASP 61 N 1.15 0.30 0.74 -3.80 5.19 -1.12 -1.84 116.42 117.05 2ati h ASP 61 Ca 0.29 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.70 2ati h ASP 61 Cb 0.05 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.49 2ati h ASP 61 CO -0.04 0.20 0.00 1.41 -3.12 0.00 0.00 179.24 177.69 2ati n HIS 62 N -4.48 0.00 0.51 4.55 8.25 -0.80 -3.02 115.22 120.23 2ati n HIS 62 Ca 0.05 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.56 2ati n HIS 62 Cb 0.22 -0.47 -0.00 0.00 1.12 0.00 0.00 29.99 30.85 2ati n HIS 62 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 2ati n LEU 63 N -1.47 1.27 -0.20 2.41 -0.00 -0.70 -4.68 117.00 113.64 2ati n LEU 63 Ca 0.06 -0.75 -0.04 0.00 -0.00 0.00 0.00 56.01 55.29 2ati n LEU 63 Cb 0.26 0.00 0.07 0.00 -0.00 0.00 0.00 43.42 43.74 2ati n LEU 63 CO 0.21 0.25 1.06 0.58 -0.00 0.00 0.00 177.39 179.49 2ati h VAL 64 N 1.21 0.99 -0.66 1.47 2.07 -1.44 0.72 116.25 120.60 2ati h VAL 64 Ca 0.00 -0.21 0.02 0.00 0.82 0.00 0.00 66.70 67.33 2ati h VAL 64 Cb 0.39 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 2ati h VAL 64 CO 0.00 0.11 0.43 1.23 0.02 0.00 0.00 177.57 179.36 2ati h GLY 65 N 0.61 0.94 2.00 2.17 0.00 -1.83 -1.21 103.07 105.75 2ati h GLY 65 Ca 0.25 -0.33 -0.13 0.00 0.00 0.00 0.00 47.33 47.12 2ati h GLY 65 CO -0.15 0.31 -0.62 3.21 0.00 0.00 0.00 176.54 179.29 2ati h ARG 66 N 0.86 0.00 -0.15 4.80 3.08 -1.81 -2.46 114.38 118.70 2ati h ARG 66 Ca 0.25 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.25 2ati h ARG 66 Cb -0.05 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 2ati h ARG 66 CO -0.07 0.62 -0.11 2.35 -1.07 0.00 0.00 179.97 181.68 2ati h TRP 67 N 0.00 0.40 -0.17 3.04 7.01 -0.40 -1.29 115.95 124.54 2ati h TRP 67 Ca -0.01 -0.11 -0.01 0.00 2.11 0.00 0.00 58.89 60.87 2ati h TRP 67 Cb 1.35 -0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 28.31 2ati h TRP 67 CO 0.00 0.70 0.06 0.82 -2.79 0.00 0.00 178.44 177.23 2ati h ILE 68 N -0.02 1.18 -0.40 2.65 2.04 -1.27 -2.60 117.51 119.08 2ati h ILE 68 Ca 0.03 -0.55 -0.03 0.00 1.00 0.00 0.00 64.86 65.31 2ati h ILE 68 Cb 0.62 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 2ati h ILE 68 CO 0.03 0.17 0.14 0.03 0.00 0.00 0.00 178.15 178.51 2ati h ARG 69 N 0.10 0.58 -0.09 2.37 3.08 -1.45 -0.34 114.38 118.62 2ati h ARG 69 Ca 0.05 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 2ati h ARG 69 Cb 0.21 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 2ati h ARG 69 CO -0.00 0.50 -0.08 1.15 -1.07 0.00 0.00 179.97 180.47 2ati h THR 70 N 0.57 1.35 0.00 2.04 2.02 -1.14 -1.03 112.91 116.72 2ati h THR 70 Ca 0.14 -1.19 -0.04 0.00 0.77 0.00 0.00 66.41 66.09 2ati h THR 70 Cb 0.16 1.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.50 2ati h THR 70 CO -0.01 0.34 -0.18 1.56 0.37 0.00 0.00 175.52 177.59 2ati h GLN 71 N -0.18 0.00 0.05 6.66 1.08 -1.24 -2.24 115.11 119.24 2ati h GLN 71 Ca 0.02 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 56.95 2ati h GLN 71 Cb 0.57 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 28.02 2ati h GLN 71 CO 0.02 0.18 -1.11 0.37 -0.95 0.00 0.00 178.83 177.34 2ati h GLN 72 N 0.00 0.60 -0.77 1.46 4.15 -1.02 -2.91 115.11 116.62 2ati h GLN 72 Ca -0.00 -0.71 -0.04 0.00 0.77 0.00 0.00 58.65 58.66 2ati h GLN 72 Cb 0.72 0.22 -0.03 0.00 0.21 0.00 0.00 27.48 28.59 2ati h GLN 72 CO 0.02 1.30 0.31 1.25 -1.93 0.00 0.00 178.83 179.78 2ati h HIS 73 N 0.31 1.16 0.00 3.99 2.76 -0.81 -0.36 115.15 122.20 2ati h HIS 73 Ca -0.14 -0.08 -0.09 0.00 -2.20 0.00 0.00 60.37 57.85 2ati h HIS 73 Cb 1.77 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 30.36 2ati h HIS 73 CO 0.10 0.88 -0.43 1.88 -1.30 0.00 0.00 177.93 179.05 2ati h TYR 74 N 1.12 0.00 0.09 5.26 0.05 -1.42 -0.76 116.97 121.30 2ati h TYR 74 Ca 0.26 0.00 -0.29 0.00 0.05 0.00 0.00 58.73 58.75 2ati h TYR 74 Cb 0.21 0.00 0.03 0.00 1.01 0.00 0.00 36.73 37.97 2ati h TYR 74 CO 0.02 0.43 -1.19 -0.92 -1.05 0.00 0.00 178.16 175.45 2ati h TYR 75 N 0.00 1.02 0.04 4.88 3.20 -1.23 -2.79 116.97 122.09 2ati h TYR 75 Ca -0.00 -0.62 -0.00 0.00 3.14 0.00 0.00 58.73 61.25 2ati h TYR 75 Cb 0.77 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.94 2ati h TYR 75 CO 0.00 1.45 -0.02 -0.44 -1.64 0.00 0.00 178.16 177.52 2ati h ASP 76 N 0.31 -0.04 0.51 -2.11 3.32 -0.87 -3.36 116.42 114.17 2ati h ASP 76 Ca -0.17 -0.54 0.00 0.00 0.02 0.00 0.00 57.03 56.34 2ati h ASP 76 Cb 1.86 0.01 0.00 0.00 0.22 0.00 0.00 39.33 41.42 2ati h ASP 76 CO 0.23 0.54 -0.64 0.29 -1.72 0.00 0.00 179.24 177.94 2ati n LYS 77 N -4.83 0.09 -3.88 3.56 4.76 -0.31 -5.03 118.16 112.52 2ati n LYS 77 Ca -0.09 0.01 -0.38 0.00 -2.87 0.00 0.00 58.31 54.98 2ati n LYS 77 Cb 0.29 -1.54 0.03 0.00 -1.84 0.00 0.00 35.03 31.97 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 -6.68 1.98 0.10 0.00 0.04 -1.26 -4.97 135.00 124.21 2ati s PRO 79 Ca 0.46 0.43 -0.31 0.00 0.04 0.00 0.00 61.00 61.62 2ati s PRO 79 Cb -0.21 -1.92 -0.08 0.00 0.04 0.00 0.00 34.50 32.33 2ati s PRO 79 CO 0.91 -1.65 1.44 0.21 0.04 0.00 0.00 177.00 177.96 2ati s LYS 80 N -5.30 4.29 0.05 4.56 2.20 -1.26 -4.95 119.74 119.33 2ati s LYS 80 Ca 0.61 2.12 -0.13 0.00 -0.36 0.00 0.00 55.97 58.21 2ati s LYS 80 Cb -0.13 -3.31 -0.06 0.00 -1.51 0.00 0.00 37.83 32.81 2ati s LYS 80 CO 0.53 -0.51 0.43 1.03 -0.36 0.00 0.00 175.35 176.47 2ati s ARG 81 N 1.44 3.88 -0.20 4.03 0.52 -0.42 -4.50 118.95 123.70 2ati s ARG 81 Ca 0.66 0.35 -0.05 0.00 -0.52 0.00 0.00 55.73 56.18 2ati s ARG 81 Cb -0.37 -3.11 -0.02 0.00 0.52 0.00 0.00 34.95 31.97 2ati s ARG 81 CO 0.30 0.62 -0.01 0.08 0.02 0.00 0.00 175.30 176.30 2ati s VAL 82 N -1.24 3.81 -0.33 3.52 1.01 -0.17 -1.48 120.40 125.53 2ati s VAL 82 Ca 0.29 -0.36 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 2ati s VAL 82 Cb -0.16 -2.72 0.06 0.00 0.00 0.00 0.00 36.38 33.57 2ati s VAL 82 CO 0.16 0.43 0.05 -0.31 0.00 0.00 0.00 175.10 175.43 2ati s TYR 83 N 1.04 3.35 -0.67 5.22 2.02 0.96 -0.78 117.35 128.49 2ati s TYR 83 Ca 0.02 -2.00 -0.22 0.00 -0.37 0.00 0.00 57.07 54.49 2ati s TYR 83 Cb -0.14 -2.38 0.08 0.00 -0.40 0.00 0.00 41.96 39.11 2ati s TYR 83 CO 0.01 -0.84 0.96 -0.47 -1.57 0.00 0.00 175.55 173.64 2ati s TYR 84 N 1.22 2.72 -0.38 2.71 5.04 0.24 -0.86 117.35 128.04 2ati s TYR 84 Ca -0.02 -0.63 -0.20 0.00 -2.44 0.00 0.00 57.07 53.78 2ati s TYR 84 Cb -0.20 -4.27 0.01 0.00 0.35 0.00 0.00 41.96 37.84 2ati s TYR 84 CO -0.02 -1.62 0.60 -1.17 -1.34 0.00 0.00 175.55 172.01 2ati s LEU 85 N 3.89 4.38 0.01 6.97 2.96 -0.76 -0.78 118.68 135.35 2ati s LEU 85 Ca 0.22 -0.09 -0.04 0.00 -0.22 0.00 0.00 54.13 54.00 2ati s LEU 85 Cb -0.17 -2.70 -0.01 0.00 0.50 0.00 0.00 46.19 43.81 2ati s LEU 85 CO 0.09 -0.63 0.06 -0.55 -1.32 0.00 0.00 176.35 174.00 2ati s SER 86 N 1.86 0.13 0.00 3.68 0.15 -0.68 -2.54 113.70 116.29 2ati s SER 86 Ca 0.22 -0.35 0.27 0.00 0.70 0.00 0.00 55.95 56.79 2ati s SER 86 Cb -0.15 0.16 0.95 0.00 -1.71 0.00 0.00 66.02 65.27 2ati s SER 86 CO 0.16 -0.34 1.69 0.18 1.20 0.00 0.00 173.24 176.12 2ati n LEU 87 N 1.51 0.87 -3.84 3.45 7.99 -1.26 -4.08 117.00 121.64 2ati n LEU 87 Ca -0.23 -0.19 -0.16 0.00 -0.01 0.00 0.00 56.01 55.42 2ati n LEU 87 Cb 0.55 -0.13 -0.15 0.00 -0.11 0.00 0.00 43.42 43.58 2ati n LEU 87 CO 0.21 0.16 -0.37 -1.61 -1.51 0.00 0.00 177.39 174.26 2ati s GLU 88 N -2.44 0.21 -0.33 3.23 2.02 -1.26 -4.72 118.70 115.41 2ati s GLU 88 Ca 0.27 0.04 -0.01 0.00 0.02 0.00 0.00 54.97 55.29 2ati s GLU 88 Cb 0.20 -0.34 0.13 0.00 0.10 0.00 0.00 34.13 34.21 2ati s GLU 88 CO 0.49 -0.08 0.20 -0.06 0.02 0.00 0.00 175.26 175.83 2ati s PHE 89 N 0.66 0.49 -1.27 1.61 0.40 -0.11 -4.63 117.98 115.13 2ati s PHE 89 Ca -0.06 -1.31 -0.15 0.00 -0.60 0.00 0.00 56.93 54.81 2ati s PHE 89 Cb -0.09 -0.85 0.12 0.00 0.51 0.00 0.00 43.02 42.71 2ati s PHE 89 CO -0.01 -0.84 1.66 0.98 0.70 0.00 0.00 175.22 177.70 2ati n TYR 90 N 4.43 4.55 0.08 0.36 9.36 -0.69 -3.43 117.16 131.83 2ati n TYR 90 Ca 0.07 -3.08 -0.07 0.00 3.32 0.00 0.00 57.90 58.14 2ati n TYR 90 Cb 0.39 -2.37 -0.06 0.00 -0.63 0.00 0.00 39.34 36.68 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 7.08 0.05 0.00 2.98 2.86 -1.71 -3.41 114.93 122.78 2ati h MET 91 Ca 0.40 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.97 2ati h MET 91 Cb 0.83 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.51 2ati h MET 91 CO 1.42 0.95 0.00 0.41 1.06 0.00 0.00 176.91 180.74 2ati n GLY 92 N 1.11 0.13 3.80 8.32 0.00 -0.86 -4.76 105.19 112.93 2ati n GLY 92 Ca -0.01 -0.93 -0.38 0.00 0.00 0.00 0.00 46.02 44.70 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 4.33 -0.01 1.61 0.52 -1.26 -1.36 118.95 122.77 2ati s ARG 93 Ca 0.00 0.91 0.14 0.00 -0.52 0.00 0.00 55.73 56.26 2ati s ARG 93 Cb 0.00 -3.11 -0.19 0.00 0.52 0.00 0.00 34.95 32.18 2ati s ARG 93 CO 0.00 0.53 0.45 -2.37 0.02 0.00 0.00 175.30 173.93 2ati n THR 94 N 1.28 0.00 0.25 0.02 5.66 -1.26 -4.60 114.28 115.64 2ati n THR 94 Ca -0.06 -0.25 -0.18 0.00 -3.05 0.00 0.00 64.05 60.52 2ati n THR 94 Cb 0.50 0.59 -0.10 0.00 -1.55 0.00 0.00 70.33 69.78 2ati n THR 94 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 2ati h LEU 95 N 0.00 -1.40 -0.77 1.09 5.85 -1.96 -1.01 115.31 117.11 2ati h LEU 95 Ca 0.00 0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.75 2ati h LEU 95 Cb 0.49 0.48 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 2ati h LEU 95 CO 0.00 -0.64 -0.08 -0.61 -0.34 0.00 0.00 178.44 176.77 2ati h GLN 96 N -0.94 0.85 -0.58 1.25 4.15 -1.97 -2.32 115.11 115.55 2ati h GLN 96 Ca -0.05 -0.28 0.02 0.00 0.77 0.00 0.00 58.65 59.11 2ati h GLN 96 Cb 0.84 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.43 2ati h GLN 96 CO -0.11 0.90 0.36 -0.97 -1.93 0.00 0.00 178.83 177.09 2ati h ASN 97 N 0.77 0.60 -0.37 -0.69 -0.73 -1.78 -1.43 115.58 111.95 2ati h ASN 97 Ca 0.13 -0.00 -0.09 0.00 1.87 0.00 0.00 56.30 58.21 2ati h ASN 97 Cb 0.58 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 39.03 2ati h ASN 97 CO 0.04 0.42 -0.12 0.74 -0.37 0.00 0.00 177.43 178.14 2ati h THR 98 N 0.72 1.28 -0.93 -3.57 2.02 -1.04 -1.78 112.91 109.61 2ati h THR 98 Ca 0.23 -1.22 -0.01 0.00 0.77 0.00 0.00 66.41 66.18 2ati h THR 98 Cb -0.00 1.29 -0.04 0.00 -1.74 0.00 0.00 68.15 67.66 2ati h THR 98 CO -0.09 0.40 0.54 0.24 0.37 0.00 0.00 175.52 176.98 2ati h MET 99 N 0.53 1.27 -0.14 6.66 2.86 -1.08 -1.08 114.93 123.96 2ati h MET 99 Ca 0.09 -0.13 -0.05 0.00 -2.06 0.00 0.00 59.70 57.55 2ati h MET 99 Cb 0.65 -0.26 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 2ati h MET 99 CO 0.04 0.90 -0.11 0.82 1.06 0.00 0.00 176.91 179.63 2ati h ILE 100 N 1.28 1.34 0.00 -1.22 2.04 -1.17 0.28 117.51 120.06 2ati h ILE 100 Ca 0.33 -1.24 -0.04 0.00 1.00 0.00 0.00 64.86 64.91 2ati h ILE 100 Cb -0.02 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 2ati h ILE 100 CO -0.06 0.36 -0.21 0.78 0.00 0.00 0.00 178.15 179.02 2ati h ASN 101 N -0.06 0.00 0.34 1.72 4.21 -1.14 -1.94 115.58 118.72 2ati h ASN 101 Ca 0.02 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.53 2ati h ASN 101 Cb 0.62 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.82 2ati h ASN 101 CO 0.03 0.21 -0.38 0.18 -1.29 0.00 0.00 177.43 176.18 2ati n LEU 102 N -3.82 0.82 -1.18 1.61 4.77 -0.43 -1.40 117.00 117.37 2ati n LEU 102 Ca -0.02 -0.17 -0.10 0.00 -0.03 0.00 0.00 56.01 55.70 2ati n LEU 102 Cb 0.31 -0.17 -0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2ati n LEU 102 CO 0.34 0.17 -0.11 0.61 -1.33 0.00 0.00 177.39 177.06 2ati n GLY 103 N 1.41 -0.02 0.40 -0.72 0.00 -0.73 -4.94 105.19 100.60 2ati n GLY 103 Ca 0.09 -0.46 0.06 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.50 1.76 -0.03 0.99 4.32 0.93 -4.74 117.00 118.73 2ati n LEU 104 Ca -0.11 -0.92 -0.10 0.00 -0.02 0.00 0.00 56.01 54.86 2ati n LEU 104 Cb 0.59 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.35 2ati n LEU 104 CO 0.15 0.34 0.91 -0.61 -1.22 0.00 0.00 177.39 176.95 2ati h GLN 105 N 1.97 0.15 -0.51 3.23 4.15 -1.73 -0.59 115.11 121.78 2ati h GLN 105 Ca 0.00 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.43 2ati h GLN 105 Cb 0.46 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.09 2ati h GLN 105 CO 0.00 0.10 0.32 -0.91 -1.93 0.00 0.00 178.83 176.41 2ati h ASN 106 N 0.15 0.54 -0.33 -0.69 2.35 -1.90 0.95 115.58 116.64 2ati h ASN 106 Ca 0.07 -0.01 -0.14 0.00 -0.55 0.00 0.00 56.30 55.67 2ati h ASN 106 Cb 0.03 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 2ati h ASN 106 CO -0.06 0.39 -0.32 0.00 -1.65 0.00 0.00 177.43 175.78 2ati h ALA 107 N 1.20 0.70 -0.39 -0.83 0.00 -1.85 -1.94 119.26 116.16 2ati h ALA 107 Ca 0.19 -0.42 -0.14 0.00 0.00 0.00 0.00 54.91 54.54 2ati h ALA 107 Cb -0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2ati h ALA 107 CO -0.06 0.67 -0.32 0.00 0.00 0.00 0.00 179.25 179.53 2ati h ASP 109 N 0.72 0.58 -0.03 0.00 3.45 -0.72 -0.56 116.42 119.86 2ati h ASP 109 Ca 0.07 0.00 -0.16 0.00 0.43 0.00 0.00 57.03 57.37 2ati h ASP 109 Cb 0.91 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 39.55 2ati h ASP 109 CO 0.08 0.41 -0.53 -0.08 -1.57 0.00 0.00 179.24 177.55 2ati h GLU 110 N 0.71 0.60 -0.36 3.56 4.22 -1.25 -1.83 114.58 120.24 2ati h GLU 110 Ca 0.23 -0.37 -0.01 0.00 0.08 0.00 0.00 59.36 59.29 2ati h GLU 110 Cb 0.02 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2ati h GLU 110 CO -0.10 0.98 0.18 0.00 -2.18 0.00 0.00 179.01 177.89 2ati h ALA 111 N 0.94 0.46 -0.43 2.92 0.00 -0.47 -1.67 119.26 121.01 2ati h ALA 111 Ca 0.01 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 2ati h ALA 111 Cb 1.08 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2ati h ALA 111 CO 0.10 0.01 -0.21 0.82 0.00 0.00 0.00 179.25 179.98 2ati h ILE 112 N 0.44 1.27 -0.18 0.00 1.08 -1.08 -2.94 117.51 116.11 2ati h ILE 112 Ca 0.12 -1.34 -0.01 0.00 -0.39 0.00 0.00 64.86 63.24 2ati h ILE 112 Cb 0.10 1.16 -0.01 0.00 -3.07 0.00 0.00 36.82 35.01 2ati h ILE 112 CO -0.02 0.45 0.08 0.22 -0.69 0.00 0.00 178.15 178.19 2ati h TYR 113 N 0.74 0.26 0.00 1.37 3.20 -1.13 -2.09 116.97 119.33 2ati h TYR 113 Ca 0.10 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 2ati h TYR 113 Cb 0.74 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.93 2ati h TYR 113 CO 0.04 0.31 -0.01 1.96 -1.64 0.00 0.00 178.16 178.82 2ati h GLN 114 N 0.14 0.00 -0.14 1.82 4.20 -1.21 0.06 115.11 119.98 2ati h GLN 114 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2ati h GLN 114 Cb 0.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.93 2ati h GLN 114 CO -0.01 0.01 0.00 1.28 -0.67 0.00 0.00 178.83 179.45 2ati n LEU 115 N -3.52 1.53 -0.36 1.46 4.77 -1.04 -4.93 117.00 114.91 2ati n LEU 115 Ca -0.03 -0.63 -0.05 0.00 -0.03 0.00 0.00 56.01 55.28 2ati n LEU 115 Cb 0.10 -0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.08 2ati n LEU 115 CO 0.25 0.31 -0.04 0.61 -1.33 0.00 0.00 177.39 177.19 2ati n GLY 116 N 1.11 0.71 3.72 -0.72 0.00 0.01 -5.05 105.19 104.97 2ati n GLY 116 Ca 0.16 -0.85 -0.23 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.07 3.38 -0.32 0.99 1.43 -0.81 -5.03 118.68 117.24 2ati s LEU 117 Ca 0.00 -0.57 -0.11 0.00 -1.03 0.00 0.00 54.13 52.41 2ati s LEU 117 Cb 0.00 -1.90 -0.02 0.00 0.03 0.00 0.00 46.19 44.30 2ati s LEU 117 CO 0.00 -0.10 0.20 -0.62 0.23 0.00 0.00 176.35 176.06 2ati s ASP 118 N -3.78 5.86 0.39 2.29 3.68 -1.26 -4.03 116.67 119.82 2ati s ASP 118 Ca 0.34 -0.43 0.15 0.00 2.13 0.00 0.00 52.55 54.74 2ati s ASP 118 Cb -0.06 -2.08 0.80 0.00 -1.45 0.00 0.00 42.92 40.13 2ati s ASP 118 CO 0.22 -0.21 1.84 -0.29 0.13 0.00 0.00 175.17 176.87 2ati h ILE 119 N 5.55 1.14 -0.46 4.11 2.10 -1.92 -2.79 117.51 125.23 2ati h ILE 119 Ca -0.32 -1.23 -0.10 0.00 1.08 0.00 0.00 64.86 64.29 2ati h ILE 119 Cb 1.16 1.68 -0.02 0.00 -1.09 0.00 0.00 36.82 38.55 2ati h ILE 119 CO 0.62 0.34 -0.12 -0.08 -1.08 0.00 0.00 178.15 177.83 2ati h GLU 120 N 0.00 0.84 -0.40 2.19 4.81 -1.99 -0.56 114.58 119.47 2ati h GLU 120 Ca -0.00 -0.29 -0.10 0.00 -0.13 0.00 0.00 59.36 58.83 2ati h GLU 120 Cb 0.65 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 2ati h GLU 120 CO 0.04 0.92 -0.17 1.49 -0.73 0.00 0.00 179.01 180.56 2ati h GLU 121 N 0.76 0.76 -0.19 1.92 4.81 -1.93 -2.03 114.58 118.67 2ati h GLU 121 Ca 0.12 -0.28 -0.20 0.00 -0.13 0.00 0.00 59.36 58.88 2ati h GLU 121 Cb 0.62 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.96 2ati h GLU 121 CO 0.04 0.88 -0.66 -0.07 -0.73 0.00 0.00 179.01 178.47 2ati h LEU 122 N 0.67 0.91 -1.17 1.64 3.38 -1.23 -3.17 115.31 116.35 2ati h LEU 122 Ca 0.10 -0.60 -0.06 0.00 0.09 0.00 0.00 57.88 57.41 2ati h LEU 122 Cb 0.66 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 2ati h LEU 122 CO 0.05 1.35 -0.10 -0.33 0.09 0.00 0.00 178.44 179.50 2ati h GLU 123 N 0.51 0.46 0.00 1.13 5.08 -1.00 -2.82 114.58 117.94 2ati h GLU 123 Ca -0.03 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2ati h GLU 123 Cb 1.29 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2ati h GLU 123 CO 0.14 0.56 0.00 0.39 -1.00 0.00 0.00 179.01 179.10 2ati n GLU 124 N -4.23 0.15 0.07 2.33 -0.58 -0.77 -2.72 120.64 114.89 2ati n GLU 124 Ca 0.01 0.35 -0.07 0.00 -0.42 0.00 0.00 57.16 57.02 2ati n GLU 124 Cb 0.30 -1.77 0.07 0.00 -0.57 0.00 0.00 31.44 29.46 2ati n GLU 124 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2ati h ILE 125 N 0.00 1.40 -2.64 -3.67 1.08 -1.55 -3.45 117.51 108.68 2ati h ILE 125 Ca 0.00 -2.14 -0.52 0.00 -0.39 0.00 0.00 64.86 61.81 2ati h ILE 125 Cb 0.38 2.11 0.05 0.00 -3.07 0.00 0.00 36.82 36.29 2ati h ILE 125 CO 0.00 0.63 1.03 -0.70 -0.69 0.00 0.00 178.15 178.43 2ati s GLU 126 N -3.62 4.14 0.31 2.37 2.12 -1.10 -4.99 118.70 117.92 2ati s GLU 126 Ca -0.04 2.58 -0.26 0.00 0.36 0.00 0.00 54.97 57.60 2ati s GLU 126 Cb 0.11 -3.25 -0.10 0.00 0.26 0.00 0.00 34.13 31.15 2ati s GLU 126 CO 0.82 -0.77 0.94 -1.21 -0.54 0.00 0.00 175.26 174.50 2ati s GLU 127 N 1.68 4.61 0.35 4.30 0.41 -1.26 -4.95 118.70 123.84 2ati s GLU 127 Ca 0.76 1.34 -0.27 0.00 -0.41 0.00 0.00 54.97 56.39 2ati s GLU 127 Cb -0.48 -2.87 -0.09 0.00 -1.78 0.00 0.00 34.13 28.91 2ati s GLU 127 CO 0.33 0.31 1.12 -0.51 -0.49 0.00 0.00 175.26 176.03 2ati s ASP 128 N -1.56 6.89 -1.15 -0.19 -0.00 -1.26 -4.63 116.67 114.77 2ati s ASP 128 Ca 0.49 2.27 -0.15 0.00 -0.00 0.00 0.00 52.55 55.16 2ati s ASP 128 Cb -0.20 -2.62 0.16 0.00 -0.00 0.00 0.00 42.92 40.27 2ati s ASP 128 CO 0.25 -0.41 1.36 0.00 -0.00 0.00 0.00 175.17 176.37 2ati s ALA 129 N -1.35 3.88 -0.94 5.23 0.00 -0.47 -4.86 121.76 123.27 2ati s ALA 129 Ca 0.52 -3.25 -0.05 0.00 0.00 0.00 0.00 51.96 49.18 2ati s ALA 129 Cb -0.30 -4.10 0.07 0.00 0.00 0.00 0.00 23.12 18.79 2ati s ALA 129 CO 0.38 -2.81 2.61 0.41 0.00 0.00 0.00 175.76 176.36 2ati n GLY 130 N 4.37 4.75 1.91 0.00 0.00 -1.26 -2.03 105.19 112.93 2ati n GLY 130 Ca 0.34 -1.93 -0.17 0.00 0.00 0.00 0.00 46.02 44.25 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 1.48 6.51 -3.67 0.99 4.77 -1.22 -0.44 117.00 125.42 2ati n LEU 131 Ca 0.57 -3.34 -0.10 0.00 -0.03 0.00 0.00 56.01 53.11 2ati n LEU 131 Cb 0.39 -1.06 -0.05 0.00 -2.33 0.00 0.00 43.42 40.38 2ati n LEU 131 CO 0.53 1.24 0.15 -0.83 -1.33 0.00 0.00 177.39 177.15 2ati s GLY 132 N 0.13 -0.19 -0.17 -0.72 0.00 -1.26 -0.93 107.32 104.18 2ati s GLY 132 Ca 0.32 -0.14 -0.12 0.00 0.00 0.00 0.00 44.72 44.78 2ati s GLY 132 CO -0.01 -0.36 0.23 0.70 0.00 0.00 0.00 173.10 173.67 2ati n ASN 133 N -0.23 2.02 0.00 1.64 3.02 -1.26 -4.49 115.26 115.95 2ati n ASN 133 Ca -0.15 0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 2ati n ASN 133 Cb 0.63 -0.87 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 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 1.78 1.69 0.35 7.41 0.00 -1.26 -4.92 105.19 110.24 2ati n GLY 134 Ca -0.34 0.25 0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 0.98 0.85 -0.02 0.00 -1.98 -1.42 103.07 101.49 2ati h GLY 135 Ca 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 2ati h GLY 135 CO 0.00 0.27 0.05 -2.00 0.00 0.00 0.00 176.54 174.86 2ati h LEU 136 N 0.82 0.29 -0.57 3.11 5.85 -1.99 -0.68 115.31 122.14 2ati h LEU 136 Ca 0.30 -0.22 -0.16 0.00 0.84 0.00 0.00 57.88 58.64 2ati h LEU 136 Cb 0.14 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 2ati h LEU 136 CO -0.09 0.44 -0.63 1.23 -0.34 0.00 0.00 178.44 179.05 2ati h GLY 137 N 0.13 0.35 1.96 3.75 0.00 -1.77 -2.92 103.07 104.56 2ati h GLY 137 Ca 0.06 -0.44 -0.14 0.00 0.00 0.00 0.00 47.33 46.81 2ati h GLY 137 CO 0.00 0.40 -0.63 -0.09 0.00 0.00 0.00 176.54 176.21 2ati h ARG 138 N 0.23 0.05 -0.34 4.80 9.65 -1.22 -1.76 114.38 125.79 2ati h ARG 138 Ca -0.01 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.81 2ati h ARG 138 Cb 1.15 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.73 2ati h ARG 138 CO 0.10 0.66 0.12 1.25 2.80 0.00 0.00 179.97 184.91 2ati h LEU 139 N 0.03 0.48 -1.21 3.80 5.85 -1.01 -0.40 115.31 122.85 2ati h LEU 139 Ca -0.01 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.55 2ati h LEU 139 Cb 1.13 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 2ati h LEU 139 CO 0.09 0.54 0.54 0.00 -0.34 0.00 0.00 178.44 179.26 2ati h ALA 140 N 0.97 1.45 -0.18 1.25 0.00 -1.43 0.45 119.26 121.77 2ati h ALA 140 Ca 0.11 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 2ati h ALA 140 Cb 0.21 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2ati h ALA 140 CO -0.01 0.50 -0.39 0.00 0.00 0.00 0.00 179.25 179.36 2ati h ALA 141 N 1.50 0.29 -0.55 0.00 0.00 -1.19 -2.20 119.26 117.10 2ati h ALA 141 Ca 0.31 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 2ati h ALA 141 Cb -0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2ati h ALA 141 CO -0.07 0.38 0.10 0.00 0.00 0.00 0.00 179.25 179.66 2ati h PHE 143 N 0.83 1.14 -0.65 0.00 -1.00 -0.85 -1.47 116.94 114.94 2ati h PHE 143 Ca 0.18 -0.13 -0.04 0.00 2.81 0.00 0.00 57.97 60.78 2ati h PHE 143 Cb 0.34 -0.32 -0.03 0.00 3.61 0.00 0.00 35.95 39.55 2ati h PHE 143 CO 0.02 0.93 0.24 -0.07 -1.61 0.00 0.00 178.31 177.82 2ati h LEU 144 N 1.03 0.91 -0.49 1.54 3.38 -1.08 0.49 115.31 121.09 2ati h LEU 144 Ca 0.22 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 2ati h LEU 144 Cb 0.36 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2ati h LEU 144 CO 0.00 0.85 0.06 -0.78 0.09 0.00 0.00 178.44 178.66 2ati h ASP 145 N 0.92 0.80 -0.34 -0.43 3.58 -1.27 -2.31 116.42 117.38 2ati h ASP 145 Ca 0.21 -0.27 -0.10 0.00 0.42 0.00 0.00 57.03 57.30 2ati h ASP 145 Cb 0.23 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 2ati h ASP 145 CO -0.01 0.87 -0.16 0.28 -2.88 0.00 0.00 179.24 177.34 2ati h SER 146 N 0.70 0.73 -0.47 2.28 0.02 -0.99 -1.85 113.55 113.98 2ati h SER 146 Ca 0.15 -0.41 -0.03 0.00 -0.84 0.00 0.00 61.79 60.66 2ati h SER 146 Cb 0.43 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 2ati h SER 146 CO 0.01 0.98 0.21 0.24 -1.14 0.00 0.00 176.83 177.13 2ati h MET 147 N 0.48 0.73 -0.03 3.45 2.86 -0.86 0.02 114.93 121.59 2ati h MET 147 Ca 0.08 -0.10 -0.20 0.00 -2.06 0.00 0.00 59.70 57.41 2ati h MET 147 Cb 0.70 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.22 2ati h MET 147 CO 0.05 0.60 -0.85 0.00 1.06 0.00 0.00 176.91 177.78 2ati h ALA 148 N 1.50 0.49 -0.13 6.32 0.00 -1.36 -1.22 119.26 124.87 2ati h ALA 148 Ca 0.18 -0.67 -0.12 0.00 0.00 0.00 0.00 54.91 54.29 2ati h ALA 148 Cb 0.14 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2ati h ALA 148 CO -0.02 0.82 -0.45 1.15 0.00 0.00 0.00 179.25 180.75 2ati h THR 149 N 0.21 1.32 -0.00 0.00 2.02 -0.66 -2.77 112.91 113.03 2ati h THR 149 Ca -0.05 -1.62 0.00 0.00 0.77 0.00 0.00 66.41 65.51 2ati h THR 149 Cb 1.45 1.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.59 2ati h THR 149 CO 0.14 0.49 -0.13 0.18 0.37 0.00 0.00 175.52 176.57 2ati n LEU 150 N -4.00 0.38 -0.84 2.58 4.32 -0.07 -4.76 117.00 114.61 2ati n LEU 150 Ca -0.02 0.09 -0.08 0.00 -0.02 0.00 0.00 56.01 55.99 2ati n LEU 150 Cb 0.51 -0.24 -0.01 0.00 -1.62 0.00 0.00 43.42 42.07 2ati n LEU 150 CO 0.43 0.07 -0.10 0.61 -1.22 0.00 0.00 177.39 177.19 2ati n GLY 151 N 1.33 0.19 3.83 -0.72 0.00 -0.95 -2.58 105.19 106.29 2ati n GLY 151 Ca 0.13 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.16 4.06 -1.47 0.99 1.43 -0.50 -4.04 118.68 116.99 2ati s LEU 152 Ca 0.00 1.44 -0.13 0.00 -1.03 0.00 0.00 54.13 54.41 2ati s LEU 152 Cb 0.00 -4.17 0.01 0.00 0.03 0.00 0.00 46.19 42.05 2ati s LEU 152 CO 0.00 -0.22 2.38 0.00 0.23 0.00 0.00 176.35 178.73 2ati n ALA 153 N -0.31 5.91 -2.67 4.21 0.00 -1.26 -4.69 120.51 121.70 2ati n ALA 153 Ca 0.04 -3.78 -0.34 0.00 0.00 0.00 0.00 53.44 49.37 2ati n ALA 153 Cb 0.53 -3.50 -0.10 0.00 0.00 0.00 0.00 19.45 16.38 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 3.04 3.23 -0.03 0.00 0.00 -1.26 -0.99 121.76 125.75 2ati s ALA 154 Ca 0.52 -0.87 0.04 0.00 0.00 0.00 0.00 51.96 51.64 2ati s ALA 154 Cb 0.15 -1.38 -0.00 0.00 0.00 0.00 0.00 23.12 21.88 2ati s ALA 154 CO -0.08 0.61 -0.14 0.71 0.00 0.00 0.00 175.76 176.86 2ati s TYR 155 N -0.95 1.35 -0.18 0.00 2.02 0.04 -4.03 117.35 115.60 2ati s TYR 155 Ca 0.15 -0.33 -0.09 0.00 -0.37 0.00 0.00 57.07 56.43 2ati s TYR 155 Cb -0.11 -0.90 -0.05 0.00 -0.40 0.00 0.00 41.96 40.49 2ati s TYR 155 CO 0.05 -0.09 0.13 0.20 -1.57 0.00 0.00 175.55 174.27 2ati s GLY 156 N -0.06 2.06 -0.13 0.71 0.00 -0.68 -0.59 107.32 108.63 2ati s GLY 156 Ca -0.00 -0.68 0.02 0.00 0.00 0.00 0.00 44.72 44.05 2ati s GLY 156 CO 0.01 0.03 -0.17 -0.19 0.00 0.00 0.00 173.10 172.77 2ati s TYR 157 N 0.08 2.30 0.00 1.90 1.51 0.04 -0.20 117.35 122.97 2ati s TYR 157 Ca 0.09 -1.18 0.00 0.00 -1.01 0.00 0.00 57.07 54.97 2ati s TYR 157 Cb -0.11 -1.62 0.00 0.00 -0.11 0.00 0.00 41.96 40.11 2ati s TYR 157 CO -0.01 -0.59 0.00 0.41 -1.11 0.00 0.00 175.55 174.25 2ati n GLY 158 N 4.32 3.75 3.52 0.71 0.00 -0.76 -1.69 105.19 115.04 2ati n GLY 158 Ca -0.19 -1.01 -0.34 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.30 3.69 -1.14 -0.61 1.01 -1.26 -1.40 121.20 119.20 2ati s ILE 159 Ca 0.00 -0.45 -0.17 0.00 0.00 0.00 0.00 60.65 60.03 2ati s ILE 159 Cb 0.00 -2.56 0.12 0.00 0.01 0.00 0.00 42.46 40.03 2ati s ILE 159 CO 0.00 0.54 1.43 -0.60 0.00 0.00 0.00 174.94 176.32 2ati s ARG 160 N -0.14 3.89 0.22 2.79 3.52 -0.22 -4.74 118.95 124.27 2ati s ARG 160 Ca 0.02 -2.08 -0.30 0.00 -0.13 0.00 0.00 55.73 53.24 2ati s ARG 160 Cb -0.13 -5.18 -0.09 0.00 -1.56 0.00 0.00 34.95 27.99 2ati s ARG 160 CO 0.03 -1.94 1.37 0.71 -0.81 0.00 0.00 175.30 174.66 2ati s TYR 161 N 2.87 3.15 0.28 5.12 2.02 -1.26 -4.70 117.35 124.84 2ati s TYR 161 Ca 0.43 1.12 0.10 0.00 -0.37 0.00 0.00 57.07 58.35 2ati s TYR 161 Cb -0.01 -3.70 0.40 0.00 -0.40 0.00 0.00 41.96 38.25 2ati s TYR 161 CO -0.02 -2.25 1.64 1.49 -1.57 0.00 0.00 175.55 174.84 2ati h GLU 162 N 5.27 0.05 -4.58 -0.62 4.81 -0.87 -3.41 114.58 115.23 2ati h GLU 162 Ca -0.45 -0.03 -0.58 0.00 -0.13 0.00 0.00 59.36 58.17 2ati h GLU 162 Cb 1.22 0.00 -0.36 0.00 0.63 0.00 0.00 28.75 30.24 2ati h GLU 162 CO 0.78 0.60 -0.83 0.71 -0.73 0.00 0.00 179.01 179.54 2ati s TYR 163 N -3.75 1.92 0.00 0.92 1.51 0.10 -4.13 117.35 113.92 2ati s TYR 163 Ca -0.02 -0.99 0.00 0.00 -1.01 0.00 0.00 57.07 55.05 2ati s TYR 163 Cb 0.13 -1.44 0.00 0.00 -0.11 0.00 0.00 41.96 40.54 2ati s TYR 163 CO 0.76 -0.56 0.00 0.41 -1.11 0.00 0.00 175.55 175.05 2ati n GLY 164 N 4.61 0.80 3.72 0.71 0.00 -1.22 -2.00 105.19 111.81 2ati n GLY 164 Ca -0.17 -1.71 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 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 0.95 2.18 0.57 -0.61 1.10 0.42 -4.49 121.20 121.33 2ati s ILE 165 Ca 0.00 0.13 -0.18 0.00 -0.51 0.00 0.00 60.65 60.09 2ati s ILE 165 Cb 0.00 -3.08 -0.09 0.00 0.15 0.00 0.00 42.46 39.44 2ati s ILE 165 CO 0.00 0.01 0.53 2.22 -2.11 0.00 0.00 174.94 175.59 2ati n PHE 166 N 3.86 -0.66 -2.80 3.50 -1.74 -1.26 -4.63 117.46 113.72 2ati n PHE 166 Ca 0.15 0.44 -0.42 0.00 -0.56 0.00 0.00 57.45 57.06 2ati n PHE 166 Cb 0.36 -1.96 -0.03 0.00 1.52 0.00 0.00 39.48 39.37 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 -1.18 7.11 -0.13 5.98 0.02 0.11 -4.89 114.94 121.97 2ati s ASN 167 Ca 0.69 1.36 -0.14 0.00 -1.02 0.00 0.00 52.86 53.75 2ati s ASN 167 Cb -0.44 -2.50 -0.05 0.00 0.02 0.00 0.00 41.25 38.28 2ati s ASN 167 CO 0.54 -0.39 0.33 -1.58 0.02 0.00 0.00 177.10 176.02 2ati s GLN 168 N 1.90 4.16 0.11 -0.60 0.74 -1.26 -1.23 119.66 123.48 2ati s GLN 168 Ca 0.43 0.18 0.08 0.00 0.05 0.00 0.00 55.36 56.10 2ati s GLN 168 Cb -0.18 -3.38 -0.04 0.00 1.10 0.00 0.00 33.01 30.52 2ati s GLN 168 CO 0.16 0.33 -0.19 0.15 -0.55 0.00 0.00 175.29 175.20 2ati s LYS 169 N 0.15 1.08 -0.27 1.67 -0.14 -0.86 -3.59 119.74 117.77 2ati s LYS 169 Ca 0.19 -1.17 -0.05 0.00 -1.36 0.00 0.00 55.97 53.59 2ati s LYS 169 Cb -0.14 -1.24 0.02 0.00 -1.68 0.00 0.00 37.83 34.79 2ati s LYS 169 CO 0.06 0.28 0.02 0.42 -0.76 0.00 0.00 175.35 175.37 2ati s ILE 170 N -1.39 3.50 -0.15 2.17 -1.09 -1.26 -0.83 121.20 122.14 2ati s ILE 170 Ca 0.06 -0.83 0.01 0.00 -2.23 0.00 0.00 60.65 57.67 2ati s ILE 170 Cb -0.09 -2.79 0.02 0.00 -1.58 0.00 0.00 42.46 38.01 2ati s ILE 170 CO 0.04 0.13 -0.18 -0.13 -1.23 0.00 0.00 174.94 173.58 2ati s ARG 171 N 1.42 2.65 -1.53 2.79 1.81 0.16 -4.70 118.95 121.55 2ati s ARG 171 Ca 0.02 -0.70 -0.01 0.00 -1.72 0.00 0.00 55.73 53.31 2ati s ARG 171 Cb -0.17 -2.29 0.01 0.00 -0.45 0.00 0.00 34.95 32.05 2ati s ARG 171 CO -0.00 -0.16 0.14 -0.25 -0.68 0.00 0.00 175.30 174.34 2ati n ASP 172 N 4.51 -5.31 0.00 0.23 8.00 -1.26 -1.39 116.55 121.34 2ati n ASP 172 Ca -0.19 -0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.28 2ati n ASP 172 Cb 0.50 -4.41 0.00 0.00 -0.02 0.00 0.00 41.12 37.20 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 -1.06 0.90 3.61 0.44 0.00 -1.26 -5.05 105.19 102.77 2ati n GLY 173 Ca -0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.26 2.71 0.16 1.61 0.52 -0.48 -4.00 118.94 116.20 2ati s TRP 174 Ca 0.00 -0.19 -0.30 0.00 0.02 0.00 0.00 56.10 55.63 2ati s TRP 174 Cb 0.00 -1.30 -0.07 0.00 -1.15 0.00 0.00 33.47 30.94 2ati s TRP 174 CO 0.00 0.53 1.09 -1.14 0.02 0.00 0.00 176.95 177.45 2ati s GLN 175 N -2.99 4.60 0.03 4.98 0.74 -1.26 -0.67 119.66 125.09 2ati s GLN 175 Ca 0.27 1.69 0.06 0.00 0.05 0.00 0.00 55.36 57.42 2ati s GLN 175 Cb -0.09 -3.30 -0.02 0.00 1.10 0.00 0.00 33.01 30.71 2ati s GLN 175 CO 0.17 0.07 -0.17 0.08 -0.55 0.00 0.00 175.29 174.89 2ati s VAL 176 N -0.12 1.36 -0.13 1.34 1.01 -0.01 -4.91 120.40 118.94 2ati s VAL 176 Ca 0.50 -0.99 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 2ati s VAL 176 Cb -0.29 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 2ati s VAL 176 CO 0.34 0.18 -0.00 -1.61 0.00 0.00 0.00 175.10 174.00 2ati s GLU 177 N -0.95 3.44 0.02 2.72 8.01 -1.26 -2.04 118.70 128.64 2ati s GLU 177 Ca 0.05 -0.44 0.07 0.00 0.01 0.00 0.00 54.97 54.67 2ati s GLU 177 Cb -0.08 -2.92 -0.02 0.00 -4.31 0.00 0.00 34.13 26.80 2ati s GLU 177 CO 0.01 0.44 -0.22 -1.21 0.01 0.00 0.00 175.26 174.29 2ati s GLU 178 N -0.17 1.61 0.20 1.61 2.02 -0.37 -4.99 118.70 118.62 2ati s GLU 178 Ca 0.05 -0.90 -0.31 0.00 0.02 0.00 0.00 54.97 53.82 2ati s GLU 178 Cb -0.13 -1.67 -0.10 0.00 0.10 0.00 0.00 34.13 32.33 2ati s GLU 178 CO 0.02 0.44 1.56 0.00 0.02 0.00 0.00 175.26 177.30 2ati s ALA 179 N -0.68 3.76 -1.17 5.21 0.00 -1.26 -0.71 121.76 126.91 2ati s ALA 179 Ca 0.09 1.41 -0.17 0.00 0.00 0.00 0.00 51.96 53.29 2ati s ALA 179 Cb -0.09 -3.62 0.13 0.00 0.00 0.00 0.00 23.12 19.54 2ati s ALA 179 CO 0.01 -0.81 1.47 0.34 0.00 0.00 0.00 175.76 176.77 2ati s ASP 180 N 0.90 6.88 -1.45 0.00 2.15 -1.26 -4.68 116.67 119.22 2ati s ASP 180 Ca 0.67 -2.55 -0.12 0.00 0.43 0.00 0.00 52.55 50.98 2ati s ASP 180 Cb -0.44 -2.46 0.05 0.00 -0.30 0.00 0.00 42.92 39.76 2ati s ASP 180 CO 0.36 -0.98 2.30 -0.67 -0.17 0.00 0.00 175.17 176.01 2ati n ASP 181 N 6.84 5.22 0.24 -0.34 2.03 -1.26 -3.41 116.55 125.86 2ati n ASP 181 Ca 0.38 -2.86 0.11 0.00 0.52 0.00 0.00 54.79 52.93 2ati n ASP 181 Cb 0.45 -1.59 0.58 0.00 -0.72 0.00 0.00 41.12 39.85 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 5.69 0.00 -0.52 -0.67 5.08 -1.91 -3.08 115.95 120.54 2ati h TRP 182 Ca 0.60 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.57 2ati h TRP 182 Cb 0.55 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.71 2ati h TRP 182 CO 1.50 0.19 0.00 1.28 -1.28 0.00 0.00 178.44 180.13 2ati n LEU 183 N -3.52 3.10 -0.16 0.11 4.77 -1.26 -4.60 117.00 115.44 2ati n LEU 183 Ca -0.01 -1.49 -0.03 0.00 -0.03 0.00 0.00 56.01 54.45 2ati n LEU 183 Cb 0.34 -0.35 0.04 0.00 -2.33 0.00 0.00 43.42 41.12 2ati n LEU 183 CO 0.32 0.75 0.77 -0.09 -1.33 0.00 0.00 177.39 177.80 2ati h ARG 184 N 3.54 0.00 -0.63 3.23 2.43 -1.90 -2.29 114.38 118.76 2ati h ARG 184 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2ati h ARG 184 Cb 0.80 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 2ati h ARG 184 CO 0.00 0.00 0.00 0.66 -1.51 0.00 0.00 179.97 179.12 2ati n TYR 185 N -5.35 0.84 0.00 2.20 0.53 -1.26 -5.07 117.16 109.04 2ati n TYR 185 Ca 0.05 -0.49 0.00 0.00 -1.02 0.00 0.00 57.90 56.43 2ati n TYR 185 Cb 0.27 -0.01 0.00 0.00 -1.03 0.00 0.00 39.34 38.57 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 1.38 1.02 2.87 2.72 0.00 -0.86 -5.00 105.19 107.32 2ati n GLY 186 Ca 0.21 -1.88 -0.28 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.78 3.06 0.00 1.61 2.47 -1.26 -4.82 114.94 115.22 2ati s ASN 187 Ca 0.00 -0.80 0.26 0.00 0.42 0.00 0.00 52.86 52.73 2ati s ASN 187 Cb 0.00 -0.91 1.11 0.00 -1.45 0.00 0.00 41.25 39.99 2ati s ASN 187 CO 0.00 -0.22 1.83 -0.81 -3.72 0.00 0.00 177.10 174.18 2ati n PRO 188 N 4.86 0.02 0.03 0.43 -0.04 -1.26 -3.78 135.00 135.26 2ati n PRO 188 Ca -0.11 0.06 -0.13 0.00 -0.04 0.00 0.00 63.50 63.28 2ati n PRO 188 Cb 0.47 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.29 2ati n PRO 188 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 2ati h TRP 189 N 0.00 0.22 -3.99 0.54 4.06 -1.95 -3.46 115.95 111.37 2ati h TRP 189 Ca 0.00 -0.16 -0.50 0.00 2.06 0.00 0.00 58.89 60.29 2ati h TRP 189 Cb 0.43 -0.01 0.04 0.00 -1.00 0.00 0.00 29.16 28.62 2ati h TRP 189 CO 0.00 1.22 0.27 -1.83 -3.56 0.00 0.00 178.44 174.54 2ati s GLU 190 N -2.62 3.64 -0.12 0.49 -1.05 -1.25 -4.27 118.70 113.52 2ati s GLU 190 Ca -0.07 0.55 -0.04 0.00 -0.15 0.00 0.00 54.97 55.26 2ati s GLU 190 Cb 0.08 -2.23 0.06 0.00 -0.44 0.00 0.00 34.13 31.60 2ati s GLU 190 CO 0.83 -0.34 0.22 0.21 0.95 0.00 0.00 175.26 177.13 2ati s LYS 191 N -4.74 0.11 0.44 -4.83 2.47 -0.27 -4.95 119.74 107.97 2ati s LYS 191 Ca 0.52 0.62 -0.26 0.00 -1.56 0.00 0.00 55.97 55.29 2ati s LYS 191 Cb -0.11 -0.26 -0.08 0.00 -1.46 0.00 0.00 37.83 35.92 2ati s LYS 191 CO 0.45 -0.34 1.40 -1.54 0.16 0.00 0.00 175.35 175.49 2ati s SER 192 N 2.36 6.01 -0.69 1.43 1.04 -1.26 -0.88 113.70 121.71 2ati s SER 192 Ca 0.03 2.86 0.05 0.00 0.48 0.00 0.00 55.95 59.37 2ati s SER 192 Cb -0.12 -2.65 0.20 0.00 0.10 0.00 0.00 66.02 63.54 2ati s SER 192 CO -0.08 -1.08 0.59 0.54 0.98 0.00 0.00 173.24 174.19 2ati n ARG 193 N -0.08 2.09 -0.27 4.02 5.12 -0.02 -4.87 116.66 122.64 2ati n ARG 193 Ca 0.04 -4.56 0.07 0.00 -1.93 0.00 0.00 57.85 51.48 2ati n ARG 193 Cb 0.42 -2.28 0.22 0.00 -1.16 0.00 0.00 32.46 29.66 2ati n ARG 193 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 2ati h PRO 194 N 5.00 0.40 0.00 5.56 0.11 -1.94 -2.47 132.00 138.66 2ati h PRO 194 Ca 0.17 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.25 2ati h PRO 194 Cb 0.72 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.74 2ati h PRO 194 CO 0.76 0.27 0.00 1.05 -0.21 0.00 0.00 178.00 179.87 2ati h GLU 195 N 0.41 0.00 -0.48 1.05 9.09 -1.97 -2.64 114.58 120.04 2ati h GLU 195 Ca 0.46 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.87 2ati h GLU 195 Cb 0.76 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.86 2ati h GLU 195 CO -0.46 0.00 0.00 1.19 0.05 0.00 0.00 179.01 179.79 2ati n PHE 196 N -2.49 1.56 -2.05 2.06 3.72 -0.93 -4.98 117.46 114.35 2ati n PHE 196 Ca 0.00 -0.74 -0.42 0.00 -0.05 0.00 0.00 57.45 56.24 2ati n PHE 196 Cb 0.16 -0.38 -0.03 0.00 -0.94 0.00 0.00 39.48 38.29 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 -2.54 4.27 0.10 -1.08 1.75 -1.00 -4.67 119.30 116.14 2ati s MET 197 Ca 0.49 2.23 0.07 0.00 -1.25 0.00 0.00 55.69 57.22 2ati s MET 197 Cb 0.37 -3.19 -0.03 0.00 2.84 0.00 0.00 34.83 34.82 2ati s MET 197 CO 0.15 -0.50 -0.18 -0.51 -0.65 0.00 0.00 175.02 173.34 2ati s LEU 198 N 0.85 2.33 0.12 4.11 1.43 -0.52 -4.94 118.68 122.05 2ati s LEU 198 Ca 0.66 -0.71 -0.18 0.00 -1.03 0.00 0.00 54.13 52.87 2ati s LEU 198 Cb -0.40 -0.72 -0.07 0.00 0.03 0.00 0.00 46.19 45.03 2ati s LEU 198 CO 0.33 -0.03 0.60 -2.16 0.23 0.00 0.00 176.35 175.32 2ati s PRO 199 N -2.09 4.16 -0.06 1.29 0.04 -1.26 0.06 135.00 137.15 2ati s PRO 199 Ca 0.05 0.71 0.05 0.00 0.04 0.00 0.00 61.00 61.85 2ati s PRO 199 Cb -0.09 -3.10 -0.00 0.00 0.04 0.00 0.00 34.50 31.35 2ati s PRO 199 CO 0.04 0.56 -0.20 0.08 0.04 0.00 0.00 177.00 177.51 2ati s VAL 200 N -1.27 1.70 -0.03 -0.36 1.01 0.44 -4.86 120.40 117.02 2ati s VAL 200 Ca 0.34 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 2ati s VAL 200 Cb -0.18 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 2ati s VAL 200 CO 0.20 0.48 0.05 -1.00 0.00 0.00 0.00 175.10 174.82 2ati s HIS 201 N 0.03 3.23 0.05 5.22 3.76 -1.26 -0.90 115.29 125.42 2ati s HIS 201 Ca -0.06 0.19 -0.00 0.00 -0.15 0.00 0.00 55.06 55.04 2ati s HIS 201 Cb -0.13 -1.74 -0.04 0.00 1.11 0.00 0.00 32.58 31.78 2ati s HIS 201 CO 0.03 0.52 -0.04 -0.06 -0.85 0.00 0.00 174.74 174.35 2ati s PHE 202 N -1.10 0.54 0.00 1.40 0.08 0.07 -4.96 117.98 114.02 2ati s PHE 202 Ca 0.20 -0.93 0.00 0.00 0.12 0.00 0.00 56.93 56.32 2ati s PHE 202 Cb -0.12 -0.38 0.00 0.00 -0.57 0.00 0.00 43.02 41.96 2ati s PHE 202 CO 0.10 -0.30 0.00 0.66 -0.10 0.00 0.00 175.22 175.58 2ati n TYR 203 N 0.39 0.00 -4.47 0.36 4.02 0.18 -0.49 117.16 117.15 2ati n TYR 203 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.73 2ati n TYR 203 Cb 0.60 0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.93 2ati n TYR 203 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2ati n GLY 204 N 0.00 -0.66 3.24 2.72 0.00 -1.25 -4.59 105.19 104.65 2ati n GLY 204 Ca 0.00 -1.12 -0.09 0.00 0.00 0.00 0.00 46.02 44.81 2ati n GLY 204 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ati s LYS 205 N 0.00 0.95 -0.15 1.61 1.02 -0.20 -4.85 119.74 118.13 2ati s LYS 205 Ca 0.00 -1.10 -0.11 0.00 0.02 0.00 0.00 55.97 54.78 2ati s LYS 205 Cb 0.00 0.34 -0.05 0.00 -0.52 0.00 0.00 37.83 37.60 2ati s LYS 205 CO 0.00 -0.31 0.22 0.08 -0.92 0.00 0.00 175.35 174.42 2ati s VAL 206 N -3.92 5.36 -0.12 3.17 1.01 -1.26 -1.38 120.40 123.25 2ati s VAL 206 Ca 0.11 0.39 0.03 0.00 0.00 0.00 0.00 61.98 62.51 2ati s VAL 206 Cb 0.05 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.89 2ati s VAL 206 CO -0.06 0.47 -0.22 -0.70 0.00 0.00 0.00 175.10 174.60 2ati s GLU 207 N -0.05 2.92 -0.77 2.72 2.12 -0.33 -5.00 118.70 120.32 2ati s GLU 207 Ca 0.14 -0.83 -0.10 0.00 0.36 0.00 0.00 54.97 54.55 2ati s GLU 207 Cb -0.12 -2.29 0.20 0.00 0.26 0.00 0.00 34.13 32.17 2ati s GLU 207 CO 0.03 0.07 0.66 -1.01 -0.54 0.00 0.00 175.26 174.47 2ati s HIS 208 N 0.61 3.65 0.55 5.30 3.76 -1.26 -1.73 115.29 126.17 2ati s HIS 208 Ca -0.13 -2.30 0.09 0.00 -0.15 0.00 0.00 55.06 52.58 2ati s HIS 208 Cb -0.17 -3.58 0.07 0.00 1.11 0.00 0.00 32.58 30.01 2ati s HIS 208 CO 0.03 -0.93 0.74 0.95 -0.85 0.00 0.00 174.74 174.68 2ati s THR 209 N -0.00 2.26 -1.27 1.30 -4.23 -1.00 -5.01 115.64 107.69 2ati s THR 209 Ca 0.18 -1.02 0.21 0.00 -1.18 0.00 0.00 61.69 59.88 2ati s THR 209 Cb -0.14 -2.29 0.30 0.00 1.34 0.00 0.00 72.50 71.71 2ati s THR 209 CO -0.07 0.00 1.67 -0.46 -0.54 0.00 0.00 174.62 175.22 2ati n ASN 210 N -2.16 0.00 0.03 3.99 0.23 -1.26 -2.34 115.26 113.75 2ati n ASN 210 Ca 0.14 0.17 0.11 0.00 -0.53 0.00 0.00 54.58 54.47 2ati n ASN 210 Cb 0.61 -0.36 0.06 0.00 -2.08 0.00 0.00 39.78 38.01 2ati n ASN 210 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 2ati n THR 211 N -1.36 0.18 0.00 5.53 -2.24 -1.26 -5.07 114.28 110.06 2ati n THR 211 Ca 0.08 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2ati n THR 211 Cb 0.19 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 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 1.38 0.67 3.60 3.38 0.00 -0.99 -5.04 105.19 108.19 2ati n GLY 212 Ca 0.02 -2.10 -0.40 0.00 0.00 0.00 0.00 46.02 43.55 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 -1.20 5.11 0.04 2.61 2.01 -1.26 -2.37 115.64 120.58 2ati s THR 213 Ca 0.00 0.67 0.07 0.00 0.31 0.00 0.00 61.69 62.74 2ati s THR 213 Cb 0.00 -3.79 -0.03 0.00 0.01 0.00 0.00 72.50 68.69 2ati s THR 213 CO 0.00 0.08 -0.17 -0.54 -0.69 0.00 0.00 174.62 173.30 2ati s LYS 214 N 2.21 2.09 -0.40 4.92 1.02 -0.70 -4.89 119.74 123.99 2ati s LYS 214 Ca 0.18 -0.97 -0.05 0.00 0.02 0.00 0.00 55.97 55.14 2ati s LYS 214 Cb -0.16 -2.21 0.09 0.00 -0.52 0.00 0.00 37.83 35.03 2ati s LYS 214 CO 0.10 0.54 0.20 -0.46 -0.92 0.00 0.00 175.35 174.81 2ati s TRP 215 N -0.95 3.44 0.44 3.18 -0.00 -1.26 -1.19 118.94 122.59 2ati s TRP 215 Ca 0.15 -1.98 0.06 0.00 -0.00 0.00 0.00 56.10 54.33 2ati s TRP 215 Cb -0.11 -2.97 -0.05 0.00 -0.00 0.00 0.00 33.47 30.35 2ati s TRP 215 CO 0.06 -0.90 0.13 0.96 -0.00 0.00 0.00 176.95 177.19 2ati s ILE 216 N 1.27 2.01 -1.78 5.86 -4.36 -0.48 -4.80 121.20 118.92 2ati s ILE 216 Ca 0.04 -1.81 0.00 0.00 -0.26 0.00 0.00 60.65 58.62 2ati s ILE 216 Cb -0.23 -2.81 0.00 0.00 1.25 0.00 0.00 42.46 40.67 2ati s ILE 216 CO -0.01 0.00 0.00 0.47 0.24 0.00 0.00 174.94 175.64 2ati n ASP 217 N -1.21 -5.86 -4.86 4.36 8.00 -1.26 -1.03 116.55 114.69 2ati n ASP 217 Ca -0.05 -0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.14 2ati n ASP 217 Cb 0.66 -4.88 0.01 0.00 -0.02 0.00 0.00 41.12 36.89 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 -3.02 4.58 -0.13 -3.53 -4.23 -1.26 -3.91 115.64 104.13 2ati s THR 218 Ca 0.00 0.90 -0.12 0.00 -1.18 0.00 0.00 61.69 61.29 2ati s THR 218 Cb 0.00 -3.78 -0.05 0.00 1.34 0.00 0.00 72.50 70.01 2ati s THR 218 CO 0.00 -1.04 0.25 -1.10 -0.54 0.00 0.00 174.62 172.19 2ati s GLN 219 N -4.99 3.98 -0.11 3.99 -0.21 0.36 -4.90 119.66 117.77 2ati s GLN 219 Ca 0.56 0.04 -0.05 0.00 0.02 0.00 0.00 55.36 55.93 2ati s GLN 219 Cb -0.11 -3.33 -0.04 0.00 1.00 0.00 0.00 33.01 30.53 2ati s GLN 219 CO 0.51 0.46 0.07 0.08 -2.12 0.00 0.00 175.29 174.29 2ati s VAL 220 N -0.20 4.86 -0.06 1.09 1.01 -1.26 -0.75 120.40 125.09 2ati s VAL 220 Ca 0.16 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.12 2ati s VAL 220 Cb -0.13 -3.10 0.02 0.00 0.00 0.00 0.00 36.38 33.17 2ati s VAL 220 CO 0.05 0.59 -0.07 -0.69 0.00 0.00 0.00 175.10 174.97 2ati s VAL 221 N -0.75 0.77 0.34 2.92 1.01 -0.08 -4.40 120.40 120.21 2ati s VAL 221 Ca 0.12 -0.24 -0.16 0.00 0.00 0.00 0.00 61.98 61.71 2ati s VAL 221 Cb -0.12 -0.76 -0.09 0.00 0.00 0.00 0.00 36.38 35.41 2ati s VAL 221 CO 0.03 0.28 0.77 -0.76 0.00 0.00 0.00 175.10 175.42 2ati s LEU 222 N 0.97 4.03 -0.25 3.92 1.43 0.08 -0.42 118.68 128.44 2ati s LEU 222 Ca -0.10 1.33 0.02 0.00 -1.03 0.00 0.00 54.13 54.35 2ati s LEU 222 Cb -0.15 -4.15 0.06 0.00 0.03 0.00 0.00 46.19 41.98 2ati s LEU 222 CO 0.00 -0.24 -0.10 0.00 0.23 0.00 0.00 176.35 176.24 2ati s ALA 223 N -2.04 2.37 -0.34 4.21 0.00 0.11 -1.46 121.76 124.61 2ati s ALA 223 Ca 0.55 -1.60 -0.13 0.00 0.00 0.00 0.00 51.96 50.78 2ati s ALA 223 Cb -0.10 -1.51 -0.01 0.00 0.00 0.00 0.00 23.12 21.49 2ati s ALA 223 CO 0.18 -1.13 0.24 -1.17 0.00 0.00 0.00 175.76 173.87 2ati s LEU 224 N 1.20 4.53 0.29 0.00 2.96 -0.03 -1.44 118.68 126.19 2ati s LEU 224 Ca -0.07 -0.46 -0.23 0.00 -0.22 0.00 0.00 54.13 53.15 2ati s LEU 224 Cb -0.19 -2.13 -0.09 0.00 0.50 0.00 0.00 46.19 44.28 2ati s LEU 224 CO -0.06 -0.25 0.85 -2.16 -1.32 0.00 0.00 176.35 173.41 2ati s PRO 225 N 1.71 4.40 -0.11 0.98 0.04 -1.26 -1.19 135.00 139.58 2ati s PRO 225 Ca 0.06 1.10 0.01 0.00 0.04 0.00 0.00 61.00 62.21 2ati s PRO 225 Cb -0.17 -2.78 0.02 0.00 0.04 0.00 0.00 34.50 31.61 2ati s PRO 225 CO 0.10 0.30 -0.12 0.71 0.04 0.00 0.00 177.00 178.03 2ati s TYR 226 N -1.63 1.73 -0.19 0.56 2.02 0.36 -0.84 117.35 119.35 2ati s TYR 226 Ca 0.48 -0.83 -0.12 0.00 -0.37 0.00 0.00 57.07 56.24 2ati s TYR 226 Cb -0.17 -1.31 -0.05 0.00 -0.40 0.00 0.00 41.96 40.03 2ati s TYR 226 CO 0.22 -0.48 0.21 -0.51 -1.57 0.00 0.00 175.55 173.42 2ati s ASP 227 N 1.25 6.30 -0.09 2.29 -0.00 -0.06 -1.01 116.67 125.35 2ati s ASP 227 Ca -0.02 0.34 0.03 0.00 -0.00 0.00 0.00 52.55 52.90 2ati s ASP 227 Cb -0.14 -2.13 -0.01 0.00 -0.00 0.00 0.00 42.92 40.64 2ati s ASP 227 CO -0.04 0.12 -0.19 -0.89 -0.00 0.00 0.00 175.17 174.17 2ati s THR 228 N 0.52 2.51 0.36 -1.27 2.01 -0.19 -1.11 115.64 118.48 2ati s THR 228 Ca 0.12 -0.88 -0.27 0.00 0.31 0.00 0.00 61.69 60.97 2ati s THR 228 Cb -0.12 -1.99 -0.09 0.00 0.01 0.00 0.00 72.50 70.31 2ati s THR 228 CO 0.01 0.55 1.16 -2.16 -0.69 0.00 0.00 174.62 173.50 2ati s PRO 229 N 0.08 4.25 -0.47 4.92 0.04 -1.26 -1.41 135.00 141.16 2ati s PRO 229 Ca -0.08 1.85 0.03 0.00 0.04 0.00 0.00 61.00 62.84 2ati s PRO 229 Cb -0.15 -2.85 0.12 0.00 0.04 0.00 0.00 34.50 31.66 2ati s PRO 229 CO 0.05 -0.15 0.21 0.08 0.04 0.00 0.00 177.00 177.24 2ati s VAL 230 N -1.34 2.26 0.17 -0.36 1.01 0.51 -4.88 120.40 117.77 2ati s VAL 230 Ca 0.53 -2.95 -0.30 0.00 0.00 0.00 0.00 61.98 59.26 2ati s VAL 230 Cb -0.31 -2.59 -0.08 0.00 0.00 0.00 0.00 36.38 33.40 2ati s VAL 230 CO 0.40 -0.78 1.11 -2.16 0.00 0.00 0.00 175.10 173.67 2ati s PRO 231 N 0.09 4.58 0.53 2.72 0.04 -1.26 -0.77 135.00 140.93 2ati s PRO 231 Ca 0.16 1.73 -0.14 0.00 0.04 0.00 0.00 61.00 62.78 2ati s PRO 231 Cb -0.24 -3.28 -0.07 0.00 0.04 0.00 0.00 34.50 30.95 2ati s PRO 231 CO -0.02 0.05 0.97 0.20 0.04 0.00 0.00 177.00 178.24 2ati s GLY 232 N -0.06 1.94 -0.23 0.56 0.00 -0.04 -4.76 107.32 104.72 2ati s GLY 232 Ca 0.50 0.06 -0.29 0.00 0.00 0.00 0.00 44.72 44.98 2ati s GLY 232 CO 0.35 0.32 1.37 -0.47 0.00 0.00 0.00 173.10 174.66 2ati s TYR 233 N -2.74 2.59 -1.58 1.90 5.04 -1.26 -4.18 117.35 117.12 2ati s TYR 233 Ca 0.57 0.82 -0.07 0.00 -2.44 0.00 0.00 57.07 55.94 2ati s TYR 233 Cb -0.10 -3.79 0.06 0.00 0.35 0.00 0.00 41.96 38.48 2ati s TYR 233 CO 0.37 -2.05 0.36 -1.33 -1.34 0.00 0.00 175.55 171.57 2ati n MET 234 N 7.14 -2.08 -2.14 4.97 2.81 -0.49 -4.90 117.12 122.44 2ati n MET 234 Ca 0.15 0.25 -0.01 0.00 -1.81 0.00 0.00 57.70 56.28 2ati n MET 234 Cb 0.46 -4.33 -0.00 0.00 -0.71 0.00 0.00 33.22 28.63 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 -2.82 0.17 -1.49 7.83 0.23 -1.26 -5.05 115.26 112.86 2ati n ASN 235 Ca -0.18 -1.13 0.11 0.00 -0.53 0.00 0.00 54.58 52.84 2ati n ASN 235 Cb 0.62 0.09 0.35 0.00 -2.08 0.00 0.00 39.78 38.76 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 -2.74 4.39 -4.71 0.53 3.02 -1.26 -4.88 115.26 109.61 2ati n ASN 236 Ca 0.00 -2.21 -0.37 0.00 -0.03 0.00 0.00 54.58 51.97 2ati n ASN 236 Cb 0.04 -0.54 -0.07 0.00 -0.61 0.00 0.00 39.78 38.60 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 -1.40 5.27 -0.25 3.41 2.01 -1.26 -4.72 115.64 118.70 2ati s THR 237 Ca 0.51 0.64 -0.03 0.00 0.31 0.00 0.00 61.69 63.12 2ati s THR 237 Cb 0.29 -3.68 0.08 0.00 0.01 0.00 0.00 72.50 69.21 2ati s THR 237 CO 0.30 0.35 0.08 -0.69 -0.69 0.00 0.00 174.62 173.97 2ati s VAL 238 N 0.69 0.45 0.71 3.82 1.01 -1.26 -0.86 120.40 124.96 2ati s VAL 238 Ca 0.18 -0.84 -0.06 0.00 0.00 0.00 0.00 61.98 61.26 2ati s VAL 238 Cb -0.14 -1.19 0.15 0.00 0.00 0.00 0.00 36.38 35.21 2ati s VAL 238 CO 0.06 -0.49 0.97 0.59 0.00 0.00 0.00 175.10 176.23 2ati n ASN 239 N 5.05 0.67 -4.25 3.32 3.02 0.05 -4.66 115.26 118.46 2ati n ASN 239 Ca -0.06 -1.71 -0.29 0.00 -0.03 0.00 0.00 54.58 52.49 2ati n ASN 239 Cb 0.44 -0.69 -0.16 0.00 -0.61 0.00 0.00 39.78 38.77 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 -2.97 1.78 -0.27 3.41 2.01 -1.26 -0.37 115.64 117.98 2ati s THR 240 Ca 0.59 -0.96 -0.01 0.00 0.31 0.00 0.00 61.69 61.62 2ati s THR 240 Cb -0.02 -1.48 0.04 0.00 0.01 0.00 0.00 72.50 71.04 2ati s THR 240 CO 0.40 0.50 -0.04 -0.32 -0.69 0.00 0.00 174.62 174.48 2ati s MET 241 N -0.50 2.66 -0.32 4.92 1.75 -0.50 -1.68 119.30 125.63 2ati s MET 241 Ca 0.08 -1.10 -0.10 0.00 -1.25 0.00 0.00 55.69 53.32 2ati s MET 241 Cb -0.09 -3.05 -0.01 0.00 2.84 0.00 0.00 34.83 34.52 2ati s MET 241 CO -0.01 -0.49 0.17 0.50 -0.65 0.00 0.00 175.02 174.55 2ati s ARG 242 N 1.29 3.36 -0.11 4.11 3.52 0.72 -1.02 118.95 130.82 2ati s ARG 242 Ca -0.02 -0.71 0.01 0.00 -0.13 0.00 0.00 55.73 54.88 2ati s ARG 242 Cb -0.18 -3.61 -0.02 0.00 -1.56 0.00 0.00 34.95 29.59 2ati s ARG 242 CO -0.03 -0.42 -0.13 -0.51 -0.81 0.00 0.00 175.30 173.39 2ati s LEU 243 N 1.63 2.73 -0.08 -0.88 1.43 -0.18 -1.84 118.68 121.50 2ati s LEU 243 Ca 0.05 -0.30 -0.13 0.00 -1.03 0.00 0.00 54.13 52.73 2ati s LEU 243 Cb -0.17 -1.60 -0.05 0.00 0.03 0.00 0.00 46.19 44.40 2ati s LEU 243 CO 0.07 0.21 0.31 0.26 0.23 0.00 0.00 176.35 177.43 2ati s TRP 244 N 0.11 3.62 -0.09 0.29 0.52 -0.49 -0.49 118.94 122.41 2ati s TRP 244 Ca -0.06 0.77 0.04 0.00 0.02 0.00 0.00 56.10 56.87 2ati s TRP 244 Cb -0.15 -2.22 -0.01 0.00 -1.15 0.00 0.00 33.47 29.94 2ati s TRP 244 CO 0.05 0.55 -0.21 0.45 0.02 0.00 0.00 176.95 177.80 2ati s SER 245 N -0.61 3.35 -0.06 2.95 0.15 -0.33 -1.06 113.70 118.10 2ati s SER 245 Ca 0.20 -0.47 -0.28 0.00 0.70 0.00 0.00 55.95 56.10 2ati s SER 245 Cb -0.14 -1.20 -0.03 0.00 -1.71 0.00 0.00 66.02 62.94 2ati s SER 245 CO 0.08 0.21 0.91 0.00 1.20 0.00 0.00 173.24 175.64 2ati s ALA 246 N 0.07 3.29 0.07 5.45 0.00 -1.26 -0.85 121.76 128.54 2ati s ALA 246 Ca -0.09 0.36 0.05 0.00 0.00 0.00 0.00 51.96 52.28 2ati s ALA 246 Cb -0.15 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 2ati s ALA 246 CO 0.06 -0.33 -0.15 1.03 0.00 0.00 0.00 175.76 176.37 2ati s ARG 247 N 1.31 0.85 0.26 0.00 1.81 -0.53 -4.39 118.95 118.26 2ati s ARG 247 Ca 0.46 -0.97 -0.23 0.00 -1.72 0.00 0.00 55.73 53.27 2ati s ARG 247 Cb -0.19 -0.89 -0.09 0.00 -0.45 0.00 0.00 34.95 33.33 2ati s ARG 247 CO 0.22 0.20 0.84 0.00 -0.68 0.00 0.00 175.30 175.87 2ati s ALA 248 N -1.25 3.32 0.15 2.13 0.00 -1.26 -0.74 121.76 124.11 2ati s ALA 248 Ca -0.01 0.36 -0.09 0.00 0.00 0.00 0.00 51.96 52.22 2ati s ALA 248 Cb -0.10 -3.01 -0.01 0.00 0.00 0.00 0.00 23.12 20.00 2ati s ALA 248 CO 0.02 0.25 1.45 -1.00 0.00 0.00 0.00 175.76 176.48 2ati h PRO 249 N 3.42 0.78 0.00 0.00 0.13 -1.95 -3.45 132.00 130.94 2ati h PRO 249 Ca -0.47 -0.48 0.00 0.00 -0.87 0.00 0.00 66.00 64.17 2ati h PRO 249 Cb 1.19 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2ati h PRO 249 CO 0.65 1.11 0.00 -3.47 -0.23 0.00 0.00 178.00 176.07 2ati n ASP 261 N -4.00 0.00 -0.00 1.44 -0.08 -1.26 -5.11 116.55 107.54 2ati n ASP 261 Ca -0.04 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.13 2ati n ASP 261 Cb 0.61 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 44.01 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 0.05 0.11 -0.75 -0.67 3.20 -2.06 -2.00 116.97 114.84 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 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.18 2ati h TYR 262 CO 0.00 0.14 0.46 0.82 -1.64 0.00 0.00 178.16 177.94 2ati h ILE 263 N 0.04 1.04 -0.37 1.81 1.08 -2.05 -1.75 117.51 117.30 2ati h ILE 263 Ca 0.03 -0.29 -0.08 0.00 -0.39 0.00 0.00 64.86 64.12 2ati h ILE 263 Cb 0.07 0.11 -0.02 0.00 -3.07 0.00 0.00 36.82 33.91 2ati h ILE 263 CO -0.00 0.16 -0.11 -0.61 -0.69 0.00 0.00 178.15 176.90 2ati h GLN 264 N 0.85 0.65 -0.37 2.37 5.75 -1.97 -0.43 115.11 121.97 2ati h GLN 264 Ca 0.32 -0.20 -0.08 0.00 -0.15 0.00 0.00 58.65 58.55 2ati h GLN 264 Cb 0.13 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.60 2ati h GLN 264 CO -0.16 0.74 -0.09 0.00 -2.65 0.00 0.00 178.83 176.68 2ati h ALA 265 N 1.29 1.16 -0.08 3.38 0.00 -0.66 0.14 119.26 124.48 2ati h ALA 265 Ca 0.11 -0.28 -0.24 0.00 0.00 0.00 0.00 54.91 54.50 2ati h ALA 265 Cb 0.53 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.18 2ati h ALA 265 CO 0.03 0.54 -0.89 0.28 0.00 0.00 0.00 179.25 179.21 2ati h VAL 266 N 0.58 1.30 -0.06 0.00 2.07 -0.87 -3.14 116.25 116.12 2ati h VAL 266 Ca 0.11 -2.13 -0.09 0.00 0.82 0.00 0.00 66.70 65.41 2ati h VAL 266 Cb 0.50 2.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 2ati h VAL 266 CO 0.03 0.66 -0.39 -0.07 0.02 0.00 0.00 177.57 177.83 2ati h LEU 267 N 0.44 0.13 0.00 2.57 3.38 -0.72 -2.66 115.31 118.45 2ati h LEU 267 Ca -0.08 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2ati h LEU 267 Cb 1.52 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.23 2ati h LEU 267 CO 0.17 0.51 0.00 0.47 0.09 0.00 0.00 178.44 179.69 2ati n ASP 268 N -4.06 0.00 0.23 -0.43 8.00 0.44 -1.99 116.55 118.74 2ati n ASP 268 Ca -0.02 -0.45 0.15 0.00 0.71 0.00 0.00 54.79 55.19 2ati n ASP 268 Cb 0.44 -0.07 0.56 0.00 -0.02 0.00 0.00 41.12 42.03 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 -0.14 -1.24 3.08 -1.52 -2.71 114.38 111.85 2ati h ARG 269 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 2ati h ARG 269 Cb 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 2ati h ARG 269 CO 0.00 0.00 -0.06 -0.91 -1.07 0.00 0.00 179.97 177.93 2ati h ASN 270 N 0.00 0.18 -0.71 7.04 -0.26 -1.62 -2.67 115.58 117.54 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 0.56 -0.05 -0.03 0.00 -1.06 0.00 0.00 38.32 37.74 2ati h ASN 270 CO 0.00 0.27 0.39 -0.07 -1.06 0.00 0.00 177.43 176.96 2ati h LEU 271 N 0.19 0.90 -0.03 1.61 3.38 -1.71 -0.07 115.31 119.58 2ati h LEU 271 Ca 0.04 -0.08 -0.26 0.00 0.09 0.00 0.00 57.88 57.68 2ati h LEU 271 Cb 0.23 -0.23 0.02 0.00 0.09 0.00 0.00 40.66 40.77 2ati h LEU 271 CO 0.01 0.73 -1.01 0.00 0.09 0.00 0.00 178.44 178.27 2ati h ALA 272 N 1.41 0.17 0.00 1.53 0.00 -1.66 -3.13 119.26 117.58 2ati h ALA 272 Ca 0.26 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2ati h ALA 272 Cb 0.04 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2ati h ALA 272 CO -0.04 0.70 0.00 0.93 0.00 0.00 0.00 179.25 180.84 2ati h GLU 273 N 0.40 0.00 0.00 0.00 5.08 -1.32 -3.00 114.58 115.74 2ati h GLU 273 Ca -0.12 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 2ati h GLU 273 Cb 1.66 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.91 2ati h GLU 273 CO 0.20 0.00 -0.03 -0.91 -1.00 0.00 0.00 179.01 177.27 2ati h ASN 274 N 0.00 0.00 -0.51 1.42 2.35 -0.95 -2.86 115.58 115.03 2ati h ASN 274 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2ati h ASN 274 Cb 0.52 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.87 2ati h ASN 274 CO 0.00 0.03 0.32 0.40 -1.65 0.00 0.00 177.43 176.53 2ati h ILE 275 N 0.00 1.15 -0.34 2.81 2.04 -1.69 -2.57 117.51 118.90 2ati h ILE 275 Ca -0.00 -0.31 -0.08 0.00 1.00 0.00 0.00 64.86 65.47 2ati h ILE 275 Cb 0.20 0.40 -0.05 0.00 -0.74 0.00 0.00 36.82 36.63 2ati h ILE 275 CO 0.00 0.15 0.02 -1.54 0.00 0.00 0.00 178.15 176.78 2ati n SER 276 N -4.43 3.55 -0.04 1.72 3.41 -1.08 -4.67 113.62 112.08 2ati n SER 276 Ca 0.05 -3.26 -0.14 0.00 -0.26 0.00 0.00 58.87 55.25 2ati n SER 276 Cb 0.07 -0.59 -0.11 0.00 -0.26 0.00 0.00 64.21 63.31 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 1.61 0.06 -3.28 4.33 9.65 -1.46 -2.15 114.38 123.14 2ati h ARG 277 Ca 0.10 -0.06 -0.16 0.00 -1.10 0.00 0.00 59.98 58.76 2ati h ARG 277 Cb 1.61 0.01 -0.24 0.00 -1.39 0.00 0.00 29.97 29.97 2ati h ARG 277 CO 0.33 0.78 -0.46 0.54 2.80 0.00 0.00 179.97 183.96 2ati s VAL 278 N -3.31 0.03 0.11 0.20 0.11 -1.26 -0.72 120.40 115.56 2ati s VAL 278 Ca -0.17 -0.24 -0.30 0.00 -2.93 0.00 0.00 61.98 58.34 2ati s VAL 278 Cb 0.00 -0.37 -0.06 0.00 -1.53 0.00 0.00 36.38 34.42 2ati s VAL 278 CO 0.70 -0.13 1.15 -0.22 -3.33 0.00 0.00 175.10 173.28 2ati s LEU 279 N -0.44 4.42 -0.23 2.54 2.96 -0.85 -4.98 118.68 122.10 2ati s LEU 279 Ca -0.05 2.05 -0.29 0.00 -0.22 0.00 0.00 54.13 55.62 2ati s LEU 279 Cb -0.04 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 43.04 2ati s LEU 279 CO 0.01 -0.36 1.57 -0.31 -1.32 0.00 0.00 176.35 175.94 2ati s TYR 280 N 0.48 2.18 0.00 5.38 2.02 -1.26 -4.82 117.35 121.34 2ati s TYR 280 Ca 0.54 0.59 0.00 0.00 -0.37 0.00 0.00 57.07 57.83 2ati s TYR 280 Cb -0.29 -3.97 0.00 0.00 -0.40 0.00 0.00 41.96 37.30 2ati s TYR 280 CO 0.32 -2.78 0.75 -0.35 -1.57 0.00 0.00 175.55 171.92 2ati n PRO 281 N 7.60 0.63 -3.51 -1.71 -0.04 -1.26 -4.84 135.00 131.87 2ati n PRO 281 Ca 0.18 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.27 2ati n PRO 281 Cb 0.45 -1.18 -0.09 0.00 -0.04 0.00 0.00 33.50 32.64 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 1.18 6.24 -0.19 3.54 0.01 -1.26 -4.38 114.94 120.07 2ati s ASN 282 Ca 0.00 0.26 -0.02 0.00 -0.71 0.00 0.00 52.86 52.40 2ati s ASN 282 Cb 0.00 -2.17 0.00 0.00 0.41 0.00 0.00 41.25 39.49 2ati s ASN 282 CO 0.00 -0.04 -0.11 -0.62 -1.51 0.00 0.00 177.10 174.82 2ati s ASP 283 N 1.24 3.84 -1.47 -1.22 -1.08 -1.26 -4.67 116.67 112.06 2ati s ASP 283 Ca 0.13 -0.48 -0.08 0.00 -0.52 0.00 0.00 52.55 51.60 2ati s ASP 283 Cb -0.15 -1.63 0.06 0.00 -1.46 0.00 0.00 42.92 39.74 2ati s ASP 283 CO 0.07 0.01 0.81 0.59 0.52 0.00 0.00 175.17 177.17 2ati n ASN 284 N 4.57 -2.98 -3.67 -0.34 3.02 -1.26 -4.97 115.26 109.61 2ati n ASN 284 Ca -0.19 -0.84 -0.09 0.00 -0.03 0.00 0.00 54.58 53.42 2ati n ASN 284 Cb 0.51 -3.72 -0.09 0.00 -0.61 0.00 0.00 39.78 35.86 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 -3.50 -0.78 -0.30 3.10 5.36 -1.26 -4.27 117.98 116.33 2ati s PHE 285 Ca 0.39 1.63 -0.15 0.00 -0.96 0.00 0.00 56.93 57.84 2ati s PHE 285 Cb -0.20 0.40 -0.03 0.00 -0.34 0.00 0.00 43.02 42.86 2ati s PHE 285 CO 0.84 -0.41 0.36 0.12 -1.46 0.00 0.00 175.22 174.67 2ati s PHE 286 N 1.39 3.23 -0.28 10.12 5.36 0.17 -4.84 117.98 133.12 2ati s PHE 286 Ca -0.09 0.23 0.02 0.00 -0.96 0.00 0.00 56.93 56.14 2ati s PHE 286 Cb -0.07 -2.60 0.06 0.00 -0.34 0.00 0.00 43.02 40.08 2ati s PHE 286 CO -0.14 -0.30 -0.06 -2.00 -1.46 0.00 0.00 175.22 171.26 2ati s GLU 287 N 2.04 2.18 -1.52 10.12 2.12 -1.26 -4.96 118.70 127.41 2ati s GLU 287 Ca 0.13 -1.41 -0.11 0.00 0.36 0.00 0.00 54.97 53.95 2ati s GLU 287 Cb -0.16 -3.01 -0.06 0.00 0.26 0.00 0.00 34.13 31.16 2ati s GLU 287 CO 0.11 -0.64 2.72 0.41 -0.54 0.00 0.00 175.26 177.32 2ati n GLY 288 N 4.45 4.17 3.85 -1.50 0.00 -1.26 -4.96 105.19 109.95 2ati n GLY 288 Ca -0.11 -1.47 -0.35 0.00 0.00 0.00 0.00 46.02 44.08 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 2.55 3.92 0.34 1.61 -0.14 -1.26 -4.99 119.74 121.77 2ati s LYS 289 Ca 0.62 0.40 0.03 0.00 -1.36 0.00 0.00 55.97 55.66 2ati s LYS 289 Cb 0.16 -2.99 0.65 0.00 -1.68 0.00 0.00 37.83 33.97 2ati s LYS 289 CO -0.06 0.53 1.97 1.49 -0.76 0.00 0.00 175.35 178.52 2ati h GLU 290 N 3.76 0.84 -0.25 1.68 4.81 -2.00 -2.17 114.58 121.25 2ati h GLU 290 Ca -0.49 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 58.62 2ati h GLU 290 Cb 1.20 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 2ati h GLU 290 CO 0.65 0.55 -0.14 1.25 -0.73 0.00 0.00 179.01 180.60 2ati h LEU 291 N 0.86 0.42 -0.48 1.64 5.85 -1.99 -1.11 115.31 120.49 2ati h LEU 291 Ca 0.29 -0.11 -0.15 0.00 0.84 0.00 0.00 57.88 58.76 2ati h LEU 291 Cb 0.09 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 2ati h LEU 291 CO -0.09 0.59 -0.37 -0.09 -0.34 0.00 0.00 178.44 178.14 2ati h ARG 292 N 0.40 0.84 -0.48 1.25 9.65 -1.77 -1.68 114.38 122.59 2ati h ARG 292 Ca 0.07 -0.43 -0.08 0.00 -1.10 0.00 0.00 59.98 58.44 2ati h ARG 292 Cb 0.49 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.06 2ati h ARG 292 CO 0.03 1.07 -0.04 1.25 2.80 0.00 0.00 179.97 185.09 2ati h LEU 293 N 0.70 0.80 -0.68 3.80 5.85 -1.14 -1.57 115.31 123.06 2ati h LEU 293 Ca 0.06 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 2ati h LEU 293 Cb 0.94 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 2ati h LEU 293 CO 0.09 0.89 0.36 0.11 -0.34 0.00 0.00 178.44 179.55 2ati h LYS 294 N 0.76 0.96 -0.30 1.25 1.57 -0.88 -1.46 116.57 118.48 2ati h LYS 294 Ca 0.14 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2ati h LYS 294 Cb 0.51 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 2ati h LYS 294 CO 0.03 0.73 0.11 1.96 -0.57 0.00 0.00 179.45 181.71 2ati h GLN 295 N 0.94 0.45 -0.65 3.15 4.20 -0.94 0.23 115.11 122.49 2ati h GLN 295 Ca 0.24 -0.09 0.02 0.00 0.06 0.00 0.00 58.65 58.88 2ati h GLN 295 Cb 0.06 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 2ati h GLN 295 CO -0.04 0.48 0.42 0.93 -0.67 0.00 0.00 178.83 179.96 2ati h GLU 296 N 0.33 0.82 -0.19 1.46 5.08 -0.99 -2.11 114.58 118.96 2ati h GLU 296 Ca 0.10 -0.05 -0.21 0.00 -1.00 0.00 0.00 59.36 58.20 2ati h GLU 296 Cb 0.21 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.28 2ati h GLU 296 CO -0.01 0.54 -0.70 -0.92 -1.00 0.00 0.00 179.01 176.92 2ati h TYR 297 N 0.84 1.05 -0.25 4.33 3.20 -1.13 -2.85 116.97 122.17 2ati h TYR 297 Ca 0.25 -0.43 0.06 0.00 3.14 0.00 0.00 58.73 61.74 2ati h TYR 297 Cb -0.05 -0.17 -0.06 0.00 1.54 0.00 0.00 36.73 37.99 2ati h TYR 297 CO -0.04 1.26 -0.15 0.35 -1.64 0.00 0.00 178.16 177.94 2ati h PHE 298 N 0.57 -0.38 -0.51 -3.82 3.57 -0.68 0.91 116.94 116.60 2ati h PHE 298 Ca -0.03 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.38 2ati h PHE 298 Cb 1.32 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 40.25 2ati h PHE 298 CO 0.08 -0.22 -0.15 -0.24 -2.23 0.00 0.00 178.31 175.55 2ati h VAL 299 N -0.13 1.27 -0.02 1.41 3.04 -1.45 -2.44 116.25 117.92 2ati h VAL 299 Ca 0.14 -1.30 -0.00 0.00 -1.01 0.00 0.00 66.70 64.53 2ati h VAL 299 Cb 0.34 1.03 -0.00 0.00 -2.01 0.00 0.00 31.29 30.65 2ati h VAL 299 CO -0.33 0.45 0.01 0.58 -1.01 0.00 0.00 177.57 177.27 2ati h VAL 300 N 0.87 1.12 -0.41 1.51 2.07 -1.21 -0.63 116.25 119.56 2ati h VAL 300 Ca 0.13 -0.34 -0.07 0.00 0.82 0.00 0.00 66.70 67.24 2ati h VAL 300 Cb 0.71 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 2ati h VAL 300 CO 0.05 0.09 -0.01 0.00 0.02 0.00 0.00 177.57 177.73 2ati h ALA 301 N 0.87 0.56 -0.22 1.67 0.00 -0.85 -0.81 119.26 120.48 2ati h ALA 301 Ca 0.01 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 2ati h ALA 301 Cb 0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2ati h ALA 301 CO -0.00 0.35 0.01 0.00 0.00 0.00 0.00 179.25 179.61 2ati h ALA 302 N 0.89 0.29 0.02 0.00 0.00 -1.44 -2.57 119.26 116.44 2ati h ALA 302 Ca 0.12 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2ati h ALA 302 Cb 0.50 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2ati h ALA 302 CO 0.02 0.01 -0.01 1.15 0.00 0.00 0.00 179.25 180.42 2ati h THR 303 N 0.15 1.06 -0.89 0.00 2.02 -1.05 -2.44 112.91 111.77 2ati h THR 303 Ca 0.06 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 2ati h THR 303 Cb 0.38 1.23 -0.04 0.00 -1.74 0.00 0.00 68.15 67.98 2ati h THR 303 CO 0.01 0.06 0.49 -0.07 0.37 0.00 0.00 175.52 176.38 2ati h LEU 304 N -0.13 1.12 -0.80 2.58 3.38 -1.18 -1.23 115.31 119.06 2ati h LEU 304 Ca -0.00 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 2ati h LEU 304 Cb 0.12 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 2ati h LEU 304 CO 0.00 0.90 0.28 1.56 0.09 0.00 0.00 178.44 181.27 2ati h GLN 305 N 1.25 1.17 -0.50 1.13 4.20 -1.40 -1.30 115.11 119.67 2ati h GLN 305 Ca 0.31 -0.23 -0.12 0.00 0.06 0.00 0.00 58.65 58.67 2ati h GLN 305 Cb 0.03 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 2ati h GLN 305 CO -0.05 0.97 -0.17 0.22 -0.67 0.00 0.00 178.83 179.13 2ati h ASP 306 N 1.13 1.01 -0.32 1.46 3.58 -1.05 -0.96 116.42 121.27 2ati h ASP 306 Ca 0.25 -0.36 -0.09 0.00 0.42 0.00 0.00 57.03 57.25 2ati h ASP 306 Cb 0.26 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.03 2ati h ASP 306 CO -0.01 1.15 -0.14 0.40 -2.88 0.00 0.00 179.24 177.76 2ati h ILE 307 N 0.87 1.29 -0.47 2.25 2.04 -0.99 -1.29 117.51 121.20 2ati h ILE 307 Ca 0.12 -1.24 -0.11 0.00 1.00 0.00 0.00 64.86 64.64 2ati h ILE 307 Cb 0.74 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 38.21 2ati h ILE 307 CO 0.06 0.40 -0.13 0.40 0.00 0.00 0.00 178.15 178.88 2ati h ILE 308 N 0.43 1.26 -0.44 -0.67 2.04 -1.19 -1.01 117.51 117.94 2ati h ILE 308 Ca 0.07 -1.24 -0.05 0.00 1.00 0.00 0.00 64.86 64.65 2ati h ILE 308 Cb 0.66 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 2ati h ILE 308 CO 0.04 0.43 0.09 -0.09 0.00 0.00 0.00 178.15 178.62 2ati h ARG 309 N 0.79 0.71 -0.39 2.37 2.43 -1.08 -0.90 114.38 118.31 2ati h ARG 309 Ca 0.12 -0.18 -0.07 0.00 -0.81 0.00 0.00 59.98 59.04 2ati h ARG 309 Cb 0.65 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 2ati h ARG 309 CO 0.05 0.73 -0.07 -0.09 -1.51 0.00 0.00 179.97 179.08 2ati h ARG 310 N 0.58 0.65 -0.17 0.20 2.43 -1.05 -1.56 114.38 115.45 2ati h ARG 310 Ca 0.13 -0.18 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 2ati h ARG 310 Cb 0.35 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 2ati h ARG 310 CO 0.00 0.71 -0.01 0.35 -1.51 0.00 0.00 179.97 179.52 2ati h PHE 311 N 0.60 0.34 0.00 2.20 3.57 -0.90 -2.49 116.94 120.26 2ati h PHE 311 Ca 0.11 -0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 2ati h PHE 311 Cb 0.48 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 2ati h PHE 311 CO 0.02 0.53 -0.17 0.87 -2.23 0.00 0.00 178.31 177.33 2ati h LYS 312 N 0.05 0.00 0.00 1.11 1.57 -0.93 -2.47 116.57 115.89 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 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 2ati h LYS 312 CO 0.01 0.17 -0.39 0.00 -0.57 0.00 0.00 179.45 178.67 2ati h ALA 313 N 1.83 0.76 -1.86 3.86 0.00 -1.18 -3.47 119.26 119.19 2ati h ALA 313 Ca -0.00 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.46 2ati h ALA 313 Cb 0.41 0.00 0.15 0.00 0.00 0.00 0.00 17.79 18.35 2ati h ALA 313 CO 0.02 0.00 0.36 -1.54 0.00 0.00 0.00 179.25 178.09 2ati s SER 314 N -4.68 3.33 -0.01 0.00 1.04 -0.93 -4.97 113.70 107.47 2ati s SER 314 Ca 0.07 0.11 0.05 0.00 0.48 0.00 0.00 55.95 56.66 2ati s SER 314 Cb 0.12 -0.21 0.16 0.00 0.10 0.00 0.00 66.02 66.19 2ati s SER 314 CO 0.68 -2.58 1.04 0.29 0.98 0.00 0.00 173.24 173.65 2ati n LYS 315 N -3.59 1.53 0.00 4.02 5.02 -1.26 -5.04 118.16 118.84 2ati n LYS 315 Ca 0.15 -0.64 0.00 0.00 -2.02 0.00 0.00 58.31 55.80 2ati n LYS 315 Cb 0.60 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 34.33 2ati n LYS 315 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2ati n PHE 316 N 0.04 -1.86 0.00 2.13 3.72 -1.26 -5.15 117.46 115.08 2ati n PHE 316 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 2ati n PHE 316 Cb 0.23 0.26 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 2ati n PHE 316 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 2ati n THR 324 N -1.72 0.00 1.99 4.37 -1.04 -1.26 -5.01 114.28 111.61 2ati n THR 324 Ca 0.00 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.13 2ati n THR 324 Cb 0.00 0.00 0.70 0.00 -1.82 0.00 0.00 70.33 69.21 2ati n THR 324 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 2ati n VAL 325 N -1.55 0.00 -0.15 12.58 0.24 -1.26 -3.30 118.33 124.89 2ati n VAL 325 Ca 0.00 -0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.34 2ati n VAL 325 Cb 0.00 -0.36 0.12 0.00 -1.47 0.00 0.00 33.84 32.13 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 -0.86 0.37 0.13 6.34 3.01 -1.26 -4.64 117.46 120.56 2ati n PHE 326 Ca 0.18 -0.51 0.03 0.00 1.01 0.00 0.00 57.45 58.16 2ati n PHE 326 Cb 0.08 -0.04 0.43 0.00 -0.01 0.00 0.00 39.48 39.95 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 1.56 0.20 -0.15 4.37 5.19 -2.00 -2.38 116.42 123.20 2ati h ASP 327 Ca 0.00 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 2ati h ASP 327 Cb 0.69 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.15 2ati h ASP 327 CO 0.00 0.32 0.00 0.00 -3.12 0.00 0.00 179.24 176.44 2ati n ALA 328 N -2.50 2.50 -0.08 3.45 0.00 -1.26 -4.53 120.51 118.09 2ati n ALA 328 Ca -0.01 -0.64 -0.07 0.00 0.00 0.00 0.00 53.44 52.73 2ati n ALA 328 Cb 0.23 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 3.22 0.07 0.00 0.00 3.57 -1.73 -2.26 116.94 119.81 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 0.70 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.45 2ati h PHE 329 CO 0.09 0.01 0.00 -2.30 -2.23 0.00 0.00 178.31 173.88 2ati n PRO 330 N -5.10 0.16 0.03 6.41 -0.02 -1.26 0.02 135.00 135.23 2ati n PRO 330 Ca 0.00 0.07 0.12 0.00 -2.02 0.00 0.00 63.50 61.67 2ati n PRO 330 Cb 0.14 -1.50 0.19 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 -1.40 0.59 -0.00 2.55 8.00 -0.89 -4.17 116.55 121.22 2ati n ASP 331 Ca 0.08 -0.09 0.02 0.00 0.71 0.00 0.00 54.79 55.51 2ati n ASP 331 Cb 0.24 0.28 -0.02 0.00 -0.02 0.00 0.00 41.12 41.60 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 -1.80 1.48 -4.30 -1.24 1.13 -0.75 -4.51 117.38 107.38 2ati n GLN 332 Ca 0.04 -0.02 -0.21 0.00 -1.94 0.00 0.00 57.00 54.87 2ati n GLN 332 Cb 0.39 -0.97 -0.16 0.00 0.11 0.00 0.00 30.24 29.61 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 -2.00 0.70 -0.10 5.09 1.01 0.10 -1.30 120.40 123.90 2ati s VAL 333 Ca -0.01 -0.25 -0.00 0.00 0.00 0.00 0.00 61.98 61.72 2ati s VAL 333 Cb 0.02 -0.67 0.02 0.00 0.00 0.00 0.00 36.38 35.75 2ati s VAL 333 CO 0.13 0.25 -0.06 0.00 0.00 0.00 0.00 175.10 175.42 2ati s ALA 334 N 0.62 1.15 -0.19 5.51 0.00 -0.55 -4.43 121.76 123.86 2ati s ALA 334 Ca -0.09 -0.42 -0.01 0.00 0.00 0.00 0.00 51.96 51.43 2ati s ALA 334 Cb -0.13 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.16 2ati s ALA 334 CO 0.01 -0.38 -0.12 0.42 0.00 0.00 0.00 175.76 175.69 2ati s ILE 335 N 1.68 2.77 -0.22 0.00 1.01 -0.39 -0.03 121.20 126.03 2ati s ILE 335 Ca 0.03 -0.70 -0.12 0.00 0.00 0.00 0.00 60.65 59.86 2ati s ILE 335 Cb -0.13 -2.22 -0.05 0.00 0.01 0.00 0.00 42.46 40.08 2ati s ILE 335 CO -0.07 0.48 0.21 -1.58 0.00 0.00 0.00 174.94 173.99 2ati s GLN 336 N 1.27 4.13 -0.48 2.79 2.00 -0.04 -1.98 119.66 127.36 2ati s GLN 336 Ca 0.03 -0.15 -0.20 0.00 -2.00 0.00 0.00 55.36 53.05 2ati s GLN 336 Cb -0.14 -3.51 0.04 0.00 0.80 0.00 0.00 33.01 30.20 2ati s GLN 336 CO -0.06 0.10 0.64 -0.51 -0.50 0.00 0.00 175.29 174.96 2ati s LEU 337 N 0.93 4.69 -0.87 3.68 1.02 0.59 -1.83 118.68 126.89 2ati s LEU 337 Ca 0.10 -0.61 -0.23 0.00 0.02 0.00 0.00 54.13 53.41 2ati s LEU 337 Cb -0.13 -2.59 0.06 0.00 0.02 0.00 0.00 46.19 43.55 2ati s LEU 337 CO 0.04 -0.85 1.27 0.21 0.02 0.00 0.00 176.35 177.04 2ati s ASN 338 N 2.35 6.37 0.16 2.29 3.04 -1.05 -1.43 114.94 126.66 2ati s ASN 338 Ca 0.19 -1.20 0.00 0.00 0.04 0.00 0.00 52.86 51.90 2ati s ASN 338 Cb -0.16 -2.51 0.00 0.00 -1.54 0.00 0.00 41.25 37.03 2ati s ASN 338 CO 0.16 -1.51 0.00 -0.67 -3.04 0.00 0.00 177.10 172.03 2ati n ASP 339 N 8.43 -1.86 -0.09 -4.21 -0.08 -0.78 -4.26 116.55 113.70 2ati n ASP 339 Ca 0.17 0.22 0.15 0.00 -1.51 0.00 0.00 54.79 53.81 2ati n ASP 339 Cb 0.49 -0.61 0.71 0.00 2.34 0.00 0.00 41.12 44.05 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 -1.22 0.00 -0.31 5.18 -2.24 -1.26 -4.17 114.28 110.26 2ati n THR 340 Ca 0.00 -0.05 0.11 0.00 -2.27 0.00 0.00 64.05 61.84 2ati n THR 340 Cb 0.09 -0.22 0.28 0.00 -2.10 0.00 0.00 70.33 68.38 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 0.45 0.78 -0.89 4.78 3.86 -1.96 -0.07 115.15 122.10 2ati h HIS 341 Ca 0.00 0.04 -0.58 0.00 -1.16 0.00 0.00 60.37 58.66 2ati h HIS 341 Cb 0.28 -0.21 -0.30 0.00 1.06 0.00 0.00 27.41 28.24 2ati h HIS 341 CO 0.00 0.10 0.41 -0.35 0.86 0.00 0.00 177.93 178.95 2ati n PRO 342 N -4.92 2.73 0.28 2.45 -0.04 -1.26 -4.63 135.00 129.61 2ati n PRO 342 Ca 0.20 -3.42 0.13 0.00 -0.04 0.00 0.00 63.50 60.38 2ati n PRO 342 Cb 0.56 -2.23 0.82 0.00 -0.04 0.00 0.00 33.50 32.61 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 1.80 1.49 0.00 0.55 0.00 -1.27 -2.44 119.26 119.39 2ati h ALA 343 Ca 0.53 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.40 2ati h ALA 343 Cb 1.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2ati h ALA 343 CO 1.24 0.06 0.00 1.28 0.00 0.00 0.00 179.25 181.83 2ati n LEU 344 N -3.85 0.00 0.21 0.00 4.77 -1.26 -2.13 117.00 114.73 2ati n LEU 344 Ca -0.03 0.50 0.04 0.00 -0.03 0.00 0.00 56.01 56.49 2ati n LEU 344 Cb 0.14 -0.50 0.44 0.00 -2.33 0.00 0.00 43.42 41.17 2ati n LEU 344 CO 0.29 -0.38 0.81 0.00 -1.33 0.00 0.00 177.39 176.78 2ati h ALA 345 N 2.23 1.51 0.32 -1.18 0.00 -1.80 -1.58 119.26 118.76 2ati h ALA 345 Ca 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2ati h ALA 345 Cb 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2ati h ALA 345 CO 0.00 0.35 -0.15 0.82 0.00 0.00 0.00 179.25 180.26 2ati h ILE 346 N 0.00 0.62 0.00 0.00 2.04 -1.67 -1.27 117.51 117.24 2ati h ILE 346 Ca -0.00 -0.66 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 2ati h ILE 346 Cb 0.50 0.93 -0.00 0.00 -0.74 0.00 0.00 36.82 37.51 2ati h ILE 346 CO 0.04 0.12 -0.05 1.55 0.00 0.00 0.00 178.15 179.81 2ati h PRO 347 N -0.83 0.00 -0.21 2.37 0.13 -1.73 -2.65 132.00 129.07 2ati h PRO 347 Ca -0.04 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.91 2ati h PRO 347 Cb 0.52 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.65 2ati h PRO 347 CO 0.07 0.05 -0.57 1.49 -0.23 0.00 0.00 178.00 178.81 2ati h GLU 348 N 0.00 0.65 -0.13 0.86 4.57 -1.26 0.20 114.58 119.46 2ati h GLU 348 Ca -0.00 -0.42 -0.14 0.00 -1.18 0.00 0.00 59.36 57.62 2ati h GLU 348 Cb 0.68 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.31 2ati h GLU 348 CO 0.01 1.04 -0.53 1.25 -1.18 0.00 0.00 179.01 179.59 2ati h LEU 349 N 0.49 0.42 -0.77 1.64 5.85 -1.11 -1.22 115.31 120.61 2ati h LEU 349 Ca 0.01 -0.22 -0.12 0.00 0.84 0.00 0.00 57.88 58.39 2ati h LEU 349 Cb 1.14 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 2ati h LEU 349 CO 0.11 0.87 -0.36 0.24 -0.34 0.00 0.00 178.44 178.96 2ati h MET 350 N 0.30 0.51 -0.37 1.25 2.86 -1.25 -0.24 114.93 117.99 2ati h MET 350 Ca 0.01 -0.24 -0.07 0.00 -2.06 0.00 0.00 59.70 57.34 2ati h MET 350 Cb 1.03 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.67 2ati h MET 350 CO 0.09 0.80 -0.03 -0.09 1.06 0.00 0.00 176.91 178.74 2ati h ARG 351 N 0.43 0.67 -0.37 1.72 2.43 -0.25 -0.15 114.38 118.85 2ati h ARG 351 Ca 0.04 -0.23 -0.06 0.00 -0.81 0.00 0.00 59.98 58.92 2ati h ARG 351 Cb 0.83 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 2ati h ARG 351 CO 0.07 0.79 -0.01 0.82 -1.51 0.00 0.00 179.97 180.13 2ati h ILE 352 N 0.48 1.26 0.11 1.20 2.04 -1.03 -0.62 117.51 120.95 2ati h ILE 352 Ca 0.10 -1.02 -0.01 0.00 1.00 0.00 0.00 64.86 64.94 2ati h ILE 352 Cb 0.51 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 2ati h ILE 352 CO 0.03 0.34 -0.05 -0.26 0.00 0.00 0.00 178.15 178.20 2ati h PHE 353 N 0.48 -0.13 0.08 1.37 0.05 -0.91 0.18 116.94 118.06 2ati h PHE 353 Ca 0.10 -0.00 -0.13 0.00 3.82 0.00 0.00 57.97 61.76 2ati h PHE 353 Cb 0.48 0.04 0.01 0.00 2.00 0.00 0.00 35.95 38.49 2ati h PHE 353 CO 0.04 0.05 -0.62 0.28 -0.18 0.00 0.00 178.31 177.88 2ati h VAL 354 N -0.30 1.53 0.21 -0.55 2.07 -1.07 0.53 116.25 118.66 2ati h VAL 354 Ca -0.01 -2.44 -0.32 0.00 0.82 0.00 0.00 66.70 64.74 2ati h VAL 354 Cb 0.25 3.17 0.02 0.00 -1.52 0.00 0.00 31.29 33.22 2ati h VAL 354 CO 0.02 0.66 -1.53 0.44 0.02 0.00 0.00 177.57 177.19 2ati h ASP 355 N -0.61 0.68 0.00 0.57 3.32 -1.26 -3.26 116.42 115.86 2ati h ASP 355 Ca -0.12 -0.93 -0.27 0.00 0.02 0.00 0.00 57.03 55.74 2ati h ASP 355 Cb 1.42 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 40.71 2ati h ASP 355 CO 0.07 1.71 -1.56 -0.38 -1.72 0.00 0.00 179.24 177.37 2ati n ILE 356 N -3.73 1.52 1.42 0.35 5.41 -1.03 -4.46 119.36 118.85 2ati n ILE 356 Ca -0.21 -0.10 0.14 0.00 1.00 0.00 0.00 62.75 63.58 2ati n ILE 356 Cb 1.05 -2.04 0.62 0.00 -0.71 0.00 0.00 39.64 38.55 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 -4.40 0.72 -1.86 0.38 -0.58 0.60 -4.95 120.64 110.54 2ati n GLU 357 Ca -0.36 -0.24 -0.20 0.00 -0.42 0.00 0.00 57.16 55.94 2ati n GLU 357 Cb 0.69 -1.49 -0.06 0.00 -0.57 0.00 0.00 31.44 30.01 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 -0.93 -1.54 -2.49 3.49 4.76 -0.72 -4.94 118.16 115.78 2ati n LYS 358 Ca 0.15 1.10 -0.38 0.00 -2.87 0.00 0.00 58.31 56.30 2ati n LYS 358 Cb 0.27 -5.57 -0.04 0.00 -1.84 0.00 0.00 35.03 27.86 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 -5.10 4.34 0.50 -0.35 1.43 0.10 -4.95 118.68 114.66 2ati s LEU 359 Ca 0.00 2.18 -0.22 0.00 -1.03 0.00 0.00 54.13 55.06 2ati s LEU 359 Cb 0.00 -3.91 -0.06 0.00 0.03 0.00 0.00 46.19 42.25 2ati s LEU 359 CO 0.00 -0.35 1.19 -2.16 0.23 0.00 0.00 176.35 175.26 2ati s PRO 360 N -1.98 3.50 0.20 1.29 0.04 -1.26 -4.20 135.00 132.58 2ati s PRO 360 Ca 0.51 1.81 -0.22 0.00 0.04 0.00 0.00 61.00 63.14 2ati s PRO 360 Cb -0.28 -2.25 0.12 0.00 0.04 0.00 0.00 34.50 32.14 2ati s PRO 360 CO 0.35 -0.77 1.56 2.35 0.04 0.00 0.00 177.00 180.53 2ati h TRP 361 N 1.66 -1.26 -0.75 0.56 2.91 -1.97 -2.12 115.95 114.98 2ati h TRP 361 Ca -0.50 0.10 0.08 0.00 1.13 0.00 0.00 58.89 59.70 2ati h TRP 361 Cb 1.26 0.67 -0.06 0.00 -0.51 0.00 0.00 29.16 30.52 2ati h TRP 361 CO 0.51 -0.40 0.42 0.66 -1.03 0.00 0.00 178.44 178.60 2ati h SER 362 N -0.08 0.62 -0.20 2.65 4.64 -1.99 0.78 113.55 119.96 2ati h SER 362 Ca 0.26 0.04 -0.18 0.00 -0.47 0.00 0.00 61.79 61.44 2ati h SER 362 Cb 0.55 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2ati h SER 362 CO -0.86 0.37 -0.57 0.50 -0.87 0.00 0.00 176.83 175.40 2ati h LYS 363 N 0.75 0.74 -0.53 4.77 1.63 -1.90 -2.43 116.57 119.59 2ati h LYS 363 Ca 0.35 -0.53 -0.01 0.00 -0.85 0.00 0.00 60.65 59.61 2ati h LYS 363 Cb 0.28 0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.97 2ati h LYS 363 CO -0.22 1.15 0.28 0.00 -3.45 0.00 0.00 179.45 177.21 2ati h ALA 364 N 0.59 1.50 -0.14 5.00 0.00 -1.00 -1.87 119.26 123.33 2ati h ALA 364 Ca -0.01 -0.09 -0.21 0.00 0.00 0.00 0.00 54.91 54.60 2ati h ALA 364 Cb 1.19 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2ati h ALA 364 CO 0.12 0.41 -0.74 2.35 0.00 0.00 0.00 179.25 181.39 2ati h TRP 365 N 0.73 0.90 -0.55 0.00 -0.00 -0.80 -2.07 115.95 114.16 2ati h TRP 365 Ca 0.19 -0.39 -0.03 0.00 -0.00 0.00 0.00 58.89 58.66 2ati h TRP 365 Cb 0.04 -0.14 -0.02 0.00 -0.00 0.00 0.00 29.16 29.03 2ati h TRP 365 CO 0.00 1.20 0.25 1.49 -0.00 0.00 0.00 178.44 181.38 2ati h GLU 366 N 0.47 0.81 -0.34 2.65 4.81 -0.97 -1.91 114.58 120.09 2ati h GLU 366 Ca -0.04 -0.13 -0.14 0.00 -0.13 0.00 0.00 59.36 58.92 2ati h GLU 366 Cb 1.35 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 2ati h GLU 366 CO 0.15 0.68 -0.36 -0.07 -0.73 0.00 0.00 179.01 178.68 2ati h LEU 367 N 0.75 0.82 -0.07 1.64 3.38 -1.36 -2.77 115.31 117.70 2ati h LEU 367 Ca 0.19 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 2ati h LEU 367 Cb 0.15 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 2ati h LEU 367 CO -0.02 1.10 0.02 0.74 0.09 0.00 0.00 178.44 180.37 2ati h THR 368 N 0.65 1.16 -0.89 0.22 2.02 -1.20 -2.30 112.91 112.58 2ati h THR 368 Ca 0.06 -0.50 0.03 0.00 0.77 0.00 0.00 66.41 66.78 2ati h THR 368 Cb 0.91 1.36 -0.05 0.00 -1.74 0.00 0.00 68.15 68.63 2ati h THR 368 CO 0.08 0.14 0.58 1.56 0.37 0.00 0.00 175.52 178.25 2ati h GLN 369 N -0.07 1.09 0.00 6.66 4.20 -1.35 -1.98 115.11 123.66 2ati h GLN 369 Ca 0.02 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2ati h GLN 369 Cb 0.20 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 27.74 2ati h GLN 369 CO -0.00 0.72 0.00 0.87 -0.67 0.00 0.00 178.83 179.75 2ati h LYS 370 N 1.12 0.00 0.06 1.46 1.57 -1.40 -1.62 116.57 117.76 2ati h LYS 370 Ca 0.35 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.95 2ati h LYS 370 Cb -0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2ati h LYS 370 CO -0.12 0.00 -0.94 1.15 -0.57 0.00 0.00 179.45 178.97 2ati h THR 371 N 0.00 1.25 -3.72 -0.16 2.02 -0.78 -3.47 112.91 108.04 2ati h THR 371 Ca 0.00 -2.34 -0.49 0.00 0.77 0.00 0.00 66.41 64.35 2ati h THR 371 Cb 0.62 2.80 -0.03 0.00 -1.74 0.00 0.00 68.15 69.81 2ati h THR 371 CO 0.00 0.57 0.12 -0.36 0.37 0.00 0.00 175.52 176.22 2ati s PHE 372 N -2.37 3.42 -0.04 3.16 0.40 -0.93 -1.26 117.98 120.36 2ati s PHE 372 Ca -0.22 1.28 -0.06 0.00 -0.60 0.00 0.00 56.93 57.34 2ati s PHE 372 Cb 0.03 -2.58 0.01 0.00 0.51 0.00 0.00 43.02 40.99 2ati s PHE 372 CO 0.70 0.12 0.14 0.00 0.70 0.00 0.00 175.22 176.89 2ati s ALA 373 N -1.91 -0.35 -0.05 5.36 0.00 -0.84 -2.08 121.76 121.89 2ati s ALA 373 Ca 0.53 0.30 0.06 0.00 0.00 0.00 0.00 51.96 52.84 2ati s ALA 373 Cb -0.11 -0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 2ati s ALA 373 CO 0.18 -0.10 -0.23 -0.47 0.00 0.00 0.00 175.76 175.14 2ati s TYR 374 N -0.23 2.25 -0.25 0.00 5.04 -0.32 -0.30 117.35 123.55 2ati s TYR 374 Ca -0.03 -0.65 -0.04 0.00 -2.44 0.00 0.00 57.07 53.91 2ati s TYR 374 Cb -0.02 -1.48 0.01 0.00 0.35 0.00 0.00 41.96 40.81 2ati s TYR 374 CO 0.00 -0.19 -0.02 0.99 -1.34 0.00 0.00 175.55 174.99 2ati s THR 375 N -0.14 3.29 0.08 4.34 2.01 -0.52 -0.47 115.64 124.23 2ati s THR 375 Ca -0.03 -0.77 -0.22 0.00 0.31 0.00 0.00 61.69 60.99 2ati s THR 375 Cb -0.13 -2.62 -0.07 0.00 0.01 0.00 0.00 72.50 69.70 2ati s THR 375 CO 0.03 0.25 0.66 0.21 -0.69 0.00 0.00 174.62 175.07 2ati s ASN 376 N 1.42 7.15 0.00 3.53 2.47 0.23 -1.86 114.94 127.88 2ati s ASN 376 Ca 0.03 1.37 0.00 0.00 0.42 0.00 0.00 52.86 54.68 2ati s ASN 376 Cb -0.16 -2.41 0.00 0.00 -1.45 0.00 0.00 41.25 37.23 2ati s ASN 376 CO -0.03 0.19 0.45 1.41 -3.72 0.00 0.00 177.10 175.41 2ati n HIS 377 N 2.04 0.00 -3.52 0.43 8.25 -1.26 -4.02 115.22 117.13 2ati n HIS 377 Ca -0.07 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.25 2ati n HIS 377 Cb 0.50 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.57 2ati n HIS 377 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2ati s THR 378 N -0.04 0.00 -0.73 1.59 -1.32 -1.26 -4.51 115.64 109.37 2ati s THR 378 Ca 0.00 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.56 2ati s THR 378 Cb 0.00 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 70.00 2ati s THR 378 CO 0.00 0.00 0.57 1.33 -2.21 0.00 0.00 174.62 174.31 2ati n VAL 379 N 0.52 0.00 -2.16 5.08 0.24 -1.26 -4.98 118.33 115.76 2ati n VAL 379 Ca -0.15 -0.43 -0.42 0.00 -2.04 0.00 0.00 64.34 61.30 2ati n VAL 379 Cb 0.59 1.10 -0.03 0.00 -1.47 0.00 0.00 33.84 34.03 2ati n VAL 379 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2ati s LEU 380 N -1.36 4.31 0.29 1.34 1.43 -1.26 -4.94 118.68 118.49 2ati s LEU 380 Ca 0.07 2.15 0.04 0.00 -1.03 0.00 0.00 54.13 55.36 2ati s LEU 380 Cb 0.06 -3.56 0.69 0.00 0.03 0.00 0.00 46.19 43.42 2ati s LEU 380 CO 0.18 -0.78 1.77 -0.65 0.23 0.00 0.00 176.35 177.10 2ati h PRO 381 N 8.18 0.68 0.00 1.29 0.11 -1.97 -1.82 132.00 138.47 2ati h PRO 381 Ca -0.38 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2ati h PRO 381 Cb 1.18 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2ati h PRO 381 CO 0.92 0.45 0.00 1.05 -0.21 0.00 0.00 178.00 180.21 2ati h GLU 382 N 0.70 0.00 -0.00 1.05 9.09 -1.92 -2.97 114.58 120.53 2ati h GLU 382 Ca 0.55 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.96 2ati h GLU 382 Cb 0.86 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.96 2ati h GLU 382 CO -0.39 0.00 -0.67 0.00 0.05 0.00 0.00 179.01 178.00 2ati n ALA 383 N -1.84 3.98 -2.19 1.06 0.00 -0.69 -0.66 120.51 120.17 2ati n ALA 383 Ca 0.03 -0.47 -0.40 0.00 0.00 0.00 0.00 53.44 52.60 2ati n ALA 383 Cb 0.29 -0.96 -0.05 0.00 0.00 0.00 0.00 19.45 18.73 2ati n ALA 383 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2ati s LEU 384 N -2.91 4.52 -0.29 0.00 1.43 -1.12 -4.43 118.68 115.87 2ati s LEU 384 Ca 0.12 1.56 -0.27 0.00 -1.03 0.00 0.00 54.13 54.51 2ati s LEU 384 Cb 0.17 -3.28 0.01 0.00 0.03 0.00 0.00 46.19 43.12 2ati s LEU 384 CO 0.74 0.10 0.95 -1.61 0.23 0.00 0.00 176.35 176.77 2ati s GLU 385 N -0.58 4.07 -0.45 1.70 2.02 -1.26 -4.74 118.70 119.47 2ati s GLU 385 Ca 0.38 0.95 0.02 0.00 0.02 0.00 0.00 54.97 56.33 2ati s GLU 385 Cb -0.22 -3.71 0.14 0.00 0.10 0.00 0.00 34.13 30.44 2ati s GLU 385 CO 0.25 -0.75 0.27 1.03 0.02 0.00 0.00 175.26 176.08 2ati s ARG 386 N 3.28 1.24 -0.02 1.61 0.52 -1.26 -2.23 118.95 122.10 2ati s ARG 386 Ca 0.40 -2.05 -0.30 0.00 -0.52 0.00 0.00 55.73 53.26 2ati s ARG 386 Cb -0.14 -2.17 -0.03 0.00 0.52 0.00 0.00 34.95 33.13 2ati s ARG 386 CO 0.12 -1.21 1.12 -1.58 0.02 0.00 0.00 175.30 173.78 2ati s TRP 387 N 0.25 3.41 0.20 -0.53 0.52 -0.89 -4.64 118.94 117.25 2ati s TRP 387 Ca 0.20 1.40 -0.32 0.00 0.02 0.00 0.00 56.10 57.41 2ati s TRP 387 Cb -0.19 -3.32 -0.12 0.00 -1.15 0.00 0.00 33.47 28.70 2ati s TRP 387 CO -0.04 -0.85 1.73 -2.14 0.02 0.00 0.00 176.95 175.67 2ati s PRO 388 N 1.62 4.13 0.45 4.98 0.02 -1.26 0.08 135.00 145.01 2ati s PRO 388 Ca 0.55 2.61 0.17 0.00 0.02 0.00 0.00 61.00 64.34 2ati s PRO 388 Cb -0.24 -3.12 1.11 0.00 0.02 0.00 0.00 34.50 32.27 2ati s PRO 388 CO 0.24 -0.76 1.95 -0.39 -0.33 0.00 0.00 177.00 177.72 2ati h VAL 389 N 3.89 0.82 -0.46 3.83 -1.51 -1.42 -2.32 116.25 119.06 2ati h VAL 389 Ca -0.43 -0.12 -0.10 0.00 -1.23 0.00 0.00 66.70 64.82 2ati h VAL 389 Cb 1.20 0.45 -0.02 0.00 -2.13 0.00 0.00 31.29 30.79 2ati h VAL 389 CO 0.96 0.06 -0.11 0.44 -1.23 0.00 0.00 177.57 177.69 2ati h ASP 390 N 0.34 0.84 -0.33 4.19 3.45 -1.91 0.11 116.42 123.12 2ati h ASP 390 Ca 0.32 -0.26 -0.17 0.00 0.43 0.00 0.00 57.03 57.35 2ati h ASP 390 Cb 0.78 -0.23 -0.00 0.00 -0.56 0.00 0.00 39.33 39.32 2ati h ASP 390 CO -0.08 0.96 -0.45 0.25 -1.57 0.00 0.00 179.24 178.35 2ati h LEU 391 N 0.76 0.96 -0.61 1.55 5.85 -1.81 -2.40 115.31 119.60 2ati h LEU 391 Ca 0.13 -0.50 -0.15 0.00 0.84 0.00 0.00 57.88 58.19 2ati h LEU 391 Cb 0.61 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 2ati h LEU 391 CO 0.04 1.28 -0.57 0.58 -0.34 0.00 0.00 178.44 179.42 2ati h VAL 392 N 0.68 1.35 -0.39 1.05 2.07 -1.34 -1.94 116.25 117.73 2ati h VAL 392 Ca 0.04 -1.88 -0.08 0.00 0.82 0.00 0.00 66.70 65.60 2ati h VAL 392 Cb 1.06 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.70 2ati h VAL 392 CO 0.11 0.57 -0.07 -0.08 0.02 0.00 0.00 177.57 178.11 2ati h GLU 393 N 0.28 0.67 0.03 1.57 4.81 -0.66 0.26 114.58 121.54 2ati h GLU 393 Ca 0.00 -0.19 -0.13 0.00 -0.13 0.00 0.00 59.36 58.91 2ati h GLU 393 Cb 1.09 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 30.41 2ati h GLU 393 CO 0.10 0.74 -0.53 -0.22 -0.73 0.00 0.00 179.01 178.36 2ati h LYS 394 N 0.62 0.30 0.12 1.92 3.11 -1.31 -3.16 116.57 118.17 2ati h LYS 394 Ca 0.12 -0.37 -0.17 0.00 -2.81 0.00 0.00 60.65 57.42 2ati h LYS 394 Cb 0.49 0.11 0.02 0.00 -1.00 0.00 0.00 32.23 31.85 2ati h LYS 394 CO 0.03 1.08 -0.76 1.25 -2.81 0.00 0.00 179.45 178.24 2ati h LEU 395 N -0.31 0.39 -6.02 5.20 5.85 -1.31 -3.39 115.31 115.72 2ati h LEU 395 Ca -0.07 -0.95 -0.57 0.00 0.84 0.00 0.00 57.88 57.13 2ati h LEU 395 Cb 1.29 -0.13 -0.40 0.00 0.37 0.00 0.00 40.66 41.79 2ati h LEU 395 CO 0.10 1.36 -0.89 0.18 -0.34 0.00 0.00 178.44 178.85 2ati n LEU 396 N -4.18 1.88 -0.18 2.25 4.77 0.91 -0.65 117.00 121.80 2ati n LEU 396 Ca -0.15 -5.07 0.08 0.00 -0.03 0.00 0.00 56.01 50.84 2ati n LEU 396 Cb 0.78 0.07 0.38 0.00 -2.33 0.00 0.00 43.42 42.32 2ati n LEU 396 CO 0.45 2.11 1.21 1.55 -1.33 0.00 0.00 177.39 181.38 2ati h PRO 397 N 3.90 0.68 -0.06 3.23 0.13 -1.56 -2.21 132.00 136.11 2ati h PRO 397 Ca 0.13 -0.04 -0.17 0.00 -0.87 0.00 0.00 66.00 65.04 2ati h PRO 397 Cb 0.78 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.75 2ati h PRO 397 CO 0.63 0.45 -0.70 -0.09 -0.23 0.00 0.00 178.00 178.06 2ati h ARG 398 N 0.70 0.30 -0.24 0.86 9.65 -1.90 -2.93 114.38 120.81 2ati h ARG 398 Ca 0.33 -0.24 -0.11 0.00 -1.10 0.00 0.00 59.98 58.85 2ati h ARG 398 Cb 0.37 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.98 2ati h ARG 398 CO -0.11 0.88 -0.33 0.45 2.80 0.00 0.00 179.97 183.66 2ati h HIS 399 N 0.21 0.59 -0.42 2.20 3.86 -1.78 -2.16 115.15 117.65 2ati h HIS 399 Ca -0.02 -0.15 -0.11 0.00 -1.16 0.00 0.00 60.37 58.93 2ati h HIS 399 Cb 1.25 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 29.57 2ati h HIS 399 CO 0.03 0.78 -0.17 1.25 0.86 0.00 0.00 177.93 180.69 2ati h LEU 400 N 0.44 0.81 -0.89 2.43 5.85 -1.38 0.07 115.31 122.64 2ati h LEU 400 Ca 0.05 -0.27 -0.07 0.00 0.84 0.00 0.00 57.88 58.43 2ati h LEU 400 Cb 0.79 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 2ati h LEU 400 CO 0.06 0.97 0.05 -0.33 -0.34 0.00 0.00 178.44 178.85 2ati h GLU 401 N 0.71 0.87 -0.27 1.25 5.08 -1.32 -0.84 114.58 120.06 2ati h GLU 401 Ca 0.11 -0.22 -0.19 0.00 -1.00 0.00 0.00 59.36 58.05 2ati h GLU 401 Cb 0.67 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2ati h GLU 401 CO 0.05 0.84 -0.59 0.82 -1.00 0.00 0.00 179.01 179.13 2ati h ILE 402 N 0.82 1.27 -0.57 3.13 2.04 -0.94 -1.51 117.51 121.75 2ati h ILE 402 Ca 0.16 -1.77 -0.04 0.00 1.00 0.00 0.00 64.86 64.21 2ati h ILE 402 Cb 0.42 1.69 -0.02 0.00 -0.74 0.00 0.00 36.82 38.17 2ati h ILE 402 CO 0.01 0.58 0.19 0.40 0.00 0.00 0.00 178.15 179.33 2ati h ILE 403 N 0.65 1.23 -0.65 -0.67 2.04 -0.80 -0.04 117.51 119.27 2ati h ILE 403 Ca 0.00 -0.77 -0.03 0.00 1.00 0.00 0.00 64.86 65.06 2ati h ILE 403 Cb 1.20 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 2ati h ILE 403 CO 0.13 0.29 0.31 1.88 0.00 0.00 0.00 178.15 180.76 2ati h TYR 404 N 0.79 0.95 -0.35 1.37 0.05 -1.09 0.18 116.97 118.85 2ati h TYR 404 Ca 0.18 -0.05 -0.09 0.00 0.05 0.00 0.00 58.73 58.82 2ati h TYR 404 Cb 0.26 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 37.69 2ati h TYR 404 CO 0.02 0.72 -0.15 0.93 -1.05 0.00 0.00 178.16 178.62 2ati h GLU 405 N 0.90 0.63 -0.28 4.88 4.39 -0.90 0.20 114.58 124.40 2ati h GLU 405 Ca 0.22 -0.21 -0.09 0.00 0.34 0.00 0.00 59.36 59.62 2ati h GLU 405 Cb 0.13 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 2ati h GLU 405 CO -0.03 0.76 -0.19 0.82 -1.16 0.00 0.00 179.01 179.21 2ati h ILE 406 N 0.57 1.30 -0.53 3.13 2.04 -0.67 -2.62 117.51 120.73 2ati h ILE 406 Ca 0.10 -1.32 -0.06 0.00 1.00 0.00 0.00 64.86 64.57 2ati h ILE 406 Cb 0.59 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 2ati h ILE 406 CO 0.04 0.42 0.08 -1.13 0.00 0.00 0.00 178.15 177.56 2ati h ASN 407 N 0.36 0.81 0.00 1.72 -1.24 -0.50 -0.81 115.58 115.93 2ati h ASN 407 Ca 0.06 -0.17 -0.00 0.00 0.71 0.00 0.00 56.30 56.90 2ati h ASN 407 Cb 0.73 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 39.57 2ati h ASN 407 CO 0.05 0.82 -0.00 -0.61 -1.29 0.00 0.00 177.43 176.40 2ati h GLN 408 N 0.81 -0.01 -0.25 6.67 5.75 -0.52 0.93 115.11 128.50 2ati h GLN 408 Ca 0.17 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.57 2ati h GLN 408 Cb 0.37 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.91 2ati h GLN 408 CO 0.01 0.09 -0.28 0.87 -2.65 0.00 0.00 178.83 176.87 2ati h LYS 409 N -0.10 0.49 -0.19 1.69 1.79 -1.34 -0.85 116.57 118.06 2ati h LYS 409 Ca -0.00 -0.19 -0.04 0.00 -2.18 0.00 0.00 60.65 58.23 2ati h LYS 409 Cb 0.10 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.72 2ati h LYS 409 CO 0.00 0.72 -0.04 1.25 -1.08 0.00 0.00 179.45 180.30 2ati h HIS 410 N 0.43 0.41 -0.03 -1.35 2.76 -0.95 -2.84 115.15 113.58 2ati h HIS 410 Ca 0.06 -0.09 -0.13 0.00 -2.20 0.00 0.00 60.37 58.01 2ati h HIS 410 Cb 0.71 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.55 2ati h HIS 410 CO 0.02 0.62 -0.57 -0.07 -1.30 0.00 0.00 177.93 176.63 2ati h LEU 411 N 0.09 0.10 -1.24 0.26 3.38 -0.64 -2.95 115.31 114.31 2ati h LEU 411 Ca 0.05 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2ati h LEU 411 Cb 0.48 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2ati h LEU 411 CO 0.02 0.65 -0.33 0.44 0.09 0.00 0.00 178.44 179.31 2ati h ASP 412 N 0.07 0.00 0.91 -0.43 3.32 -1.14 -2.40 116.42 116.74 2ati h ASP 412 Ca -0.00 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.86 2ati h ASP 412 Cb 1.03 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.55 2ati h ASP 412 CO 0.08 0.33 -0.91 -0.09 -1.72 0.00 0.00 179.24 176.93 2ati h ARG 413 N 0.00 0.00 0.00 3.56 2.43 -1.34 -2.96 114.38 116.07 2ati h ARG 413 Ca -0.00 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.02 2ati h ARG 413 Cb 0.71 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.24 2ati h ARG 413 CO 0.04 0.91 -0.71 0.82 -1.51 0.00 0.00 179.97 179.52 2ati h ILE 414 N 0.00 1.26 -0.12 1.20 2.04 -1.37 -3.05 117.51 117.48 2ati h ILE 414 Ca -0.01 -2.66 -0.17 0.00 1.00 0.00 0.00 64.86 63.03 2ati h ILE 414 Cb 1.61 2.54 -0.01 0.00 -0.74 0.00 0.00 36.82 40.22 2ati h ILE 414 CO 0.12 0.69 -0.63 0.58 0.00 0.00 0.00 178.15 178.91 2ati h VAL 415 N 0.00 1.36 0.00 1.67 2.07 -1.43 0.11 116.25 120.03 2ati h VAL 415 Ca -0.01 -1.97 -0.05 0.00 0.82 0.00 0.00 66.70 65.50 2ati h VAL 415 Cb 1.48 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 33.20 2ati h VAL 415 CO 0.09 0.60 -0.24 0.00 0.02 0.00 0.00 177.57 178.04 2ati h ALA 416 N 1.00 1.01 0.02 1.67 0.00 -1.50 -3.14 119.26 118.32 2ati h ALA 416 Ca -0.01 -0.22 -0.38 0.00 0.00 0.00 0.00 54.91 54.30 2ati h ALA 416 Cb 1.18 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 2ati h ALA 416 CO 0.11 0.30 -2.16 1.28 0.00 0.00 0.00 179.25 178.78 2ati n LEU 417 N -3.39 2.32 -3.80 0.00 4.77 -1.16 -4.84 117.00 110.90 2ati n LEU 417 Ca 0.00 0.21 -0.30 0.00 -0.03 0.00 0.00 56.01 55.89 2ati n LEU 417 Cb 0.45 -0.93 -0.14 0.00 -2.33 0.00 0.00 43.42 40.47 2ati n LEU 417 CO 0.34 0.65 -0.26 -0.36 -1.33 0.00 0.00 177.39 176.44 2ati s PHE 418 N -2.49 2.38 0.15 -1.77 0.40 0.39 -5.00 117.98 112.04 2ati s PHE 418 Ca -0.33 -2.53 0.00 0.00 -0.60 0.00 0.00 56.93 53.47 2ati s PHE 418 Cb 0.10 -2.17 -0.05 0.00 0.51 0.00 0.00 43.02 41.41 2ati s PHE 418 CO 0.59 -0.81 1.34 -1.35 0.70 0.00 0.00 175.22 175.69 2ati h PRO 419 N 7.01 0.25 0.00 0.24 0.11 -1.76 -3.36 132.00 134.49 2ati h PRO 419 Ca -0.05 -0.29 -0.05 0.00 0.11 0.00 0.00 66.00 65.72 2ati h PRO 419 Cb 0.94 0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 2ati h PRO 419 CO 0.53 1.01 -0.63 0.87 -0.21 0.00 0.00 178.00 179.57 2ati h LYS 420 N 0.14 0.00 -5.91 1.05 1.57 -1.95 -3.44 116.57 108.03 2ati h LYS 420 Ca -0.06 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.13 2ati h LYS 420 Cb 1.56 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.76 2ati h LYS 420 CO 0.15 0.15 0.74 0.34 -0.57 0.00 0.00 179.45 180.26 2ati s ASP 421 N -5.94 6.23 0.12 0.86 3.68 -1.26 -4.87 116.67 115.49 2ati s ASP 421 Ca 0.03 -0.59 0.14 0.00 2.13 0.00 0.00 52.55 54.25 2ati s ASP 421 Cb 0.07 -2.48 -0.11 0.00 -1.45 0.00 0.00 42.92 38.96 2ati s ASP 421 CO 0.74 -1.52 1.06 -0.37 0.13 0.00 0.00 175.17 175.21 2ati h VAL 422 N 6.02 0.88 0.00 1.11 -1.51 -1.89 -3.35 116.25 117.50 2ati h VAL 422 Ca -0.28 -2.43 -0.07 0.00 -1.23 0.00 0.00 66.70 62.69 2ati h VAL 422 Cb 1.06 2.35 -0.01 0.00 -2.13 0.00 0.00 31.29 32.57 2ati h VAL 422 CO 1.19 0.50 -0.34 -0.78 -1.23 0.00 0.00 177.57 176.91 2ati h ASP 423 N 0.00 0.00 0.86 4.19 1.82 -2.00 -3.16 116.42 118.13 2ati h ASP 423 Ca -0.11 0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.46 2ati h ASP 423 Cb 1.63 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.63 2ati h ASP 423 CO 0.07 0.34 -0.33 -0.09 -1.61 0.00 0.00 179.24 177.62 2ati h ARG 424 N 0.00 0.00 -0.16 0.28 2.43 -1.99 -2.88 114.38 112.06 2ati h ARG 424 Ca -0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 2ati h ARG 424 Cb 1.05 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.60 2ati h ARG 424 CO 0.04 0.33 -0.06 -0.07 -1.51 0.00 0.00 179.97 178.70 2ati h LEU 425 N 0.00 0.34 -0.61 3.80 3.38 -1.73 -1.72 115.31 118.76 2ati h LEU 425 Ca -0.00 -0.40 -0.08 0.00 0.09 0.00 0.00 57.88 57.48 2ati h LEU 425 Cb 0.84 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2ati h LEU 425 CO 0.04 0.66 -0.40 0.08 0.09 0.00 0.00 178.44 178.91 2ati h ARG 426 N 0.01 0.00 0.01 1.13 0.11 -1.68 -2.31 114.38 111.65 2ati h ARG 426 Ca 0.04 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 59.92 2ati h ARG 426 Cb 0.53 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.59 2ati h ARG 426 CO 0.02 0.40 -0.92 -0.09 0.10 0.00 0.00 179.97 179.48 2ati h ARG 427 N 0.00 0.09 -0.00 0.08 2.43 -1.47 -3.30 114.38 112.21 2ati h ARG 427 Ca -0.00 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2ati h ARG 427 Cb 1.06 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 2ati h ARG 427 CO 0.05 0.94 -0.84 -1.33 -1.51 0.00 0.00 179.97 177.28 2ati n MET 428 N -3.55 0.15 -2.10 0.20 2.81 -0.65 -4.99 117.12 108.98 2ati n MET 428 Ca -0.02 -0.12 -0.36 0.00 -1.81 0.00 0.00 57.70 55.39 2ati n MET 428 Cb 0.85 -1.50 0.02 0.00 -0.71 0.00 0.00 33.22 31.88 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 -2.93 5.57 0.13 7.83 0.15 -0.87 -4.93 113.70 118.64 2ati s SER 429 Ca 0.10 2.36 0.27 0.00 0.70 0.00 0.00 55.95 59.38 2ati s SER 429 Cb 0.17 -2.60 0.93 0.00 -1.71 0.00 0.00 66.02 62.81 2ati s SER 429 CO 0.80 -1.34 1.80 0.18 1.20 0.00 0.00 173.24 175.89 2ati n LEU 430 N -1.18 0.51 -4.45 3.45 4.77 -1.26 -4.72 117.00 114.12 2ati n LEU 430 Ca 0.11 0.52 -0.34 0.00 -0.03 0.00 0.00 56.01 56.27 2ati n LEU 430 Cb 0.49 -0.38 -0.13 0.00 -2.33 0.00 0.00 43.42 41.08 2ati n LEU 430 CO 0.46 -0.10 -0.37 -0.63 -1.33 0.00 0.00 177.39 175.42 2ati s ILE 431 N -3.07 3.72 -0.49 -0.08 -1.09 -1.26 0.39 121.20 119.31 2ati s ILE 431 Ca 0.12 -0.41 -0.15 0.00 -2.23 0.00 0.00 60.65 57.98 2ati s ILE 431 Cb 0.15 -2.64 0.10 0.00 -1.58 0.00 0.00 42.46 38.49 2ati s ILE 431 CO 0.58 0.47 0.42 -1.61 -1.23 0.00 0.00 174.94 173.58 2ati s GLU 432 N 0.63 2.93 0.28 2.79 2.02 -0.05 -4.97 118.70 122.34 2ati s GLU 432 Ca -0.03 -1.52 0.25 0.00 0.02 0.00 0.00 54.97 53.69 2ati s GLU 432 Cb -0.15 -4.16 1.00 0.00 0.10 0.00 0.00 34.13 30.92 2ati s GLU 432 CO 0.02 -1.15 1.74 0.93 0.02 0.00 0.00 175.26 176.82 2ati h GLU 433 N 8.77 0.00 -5.76 1.61 3.07 -1.89 -2.57 114.58 117.81 2ati h GLU 433 Ca -0.28 0.00 -0.50 0.00 -0.50 0.00 0.00 59.36 58.08 2ati h GLU 433 Cb 1.10 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.01 2ati h GLU 433 CO 0.93 0.00 1.56 -1.21 -1.40 0.00 0.00 179.01 178.89 2ati s GLU 434 N -3.33 2.41 2.18 2.33 8.01 -1.26 -4.58 118.70 124.46 2ati s GLU 434 Ca 0.04 1.45 0.00 0.00 0.01 0.00 0.00 54.97 56.47 2ati s GLU 434 Cb 0.09 -4.51 0.00 0.00 -4.31 0.00 0.00 34.13 25.41 2ati s GLU 434 CO 0.42 -2.93 0.00 0.41 0.01 0.00 0.00 175.26 173.17 2ati n GLY 435 N 5.90 1.34 3.51 -1.39 0.00 -1.26 -4.55 105.19 108.74 2ati n GLY 435 Ca 0.33 0.28 -0.42 0.00 0.00 0.00 0.00 46.02 46.22 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 6.15 -0.11 1.61 0.15 -1.26 -5.04 113.70 111.20 2ati s SER 436 Ca 0.00 -0.51 -0.29 0.00 0.70 0.00 0.00 55.95 55.84 2ati s SER 436 Cb 0.00 -2.18 -0.05 0.00 -1.71 0.00 0.00 66.02 62.08 2ati s SER 436 CO 0.00 -0.40 1.69 -0.54 1.20 0.00 0.00 173.24 175.19 2ati s LYS 437 N 1.92 4.01 0.25 5.44 1.02 -1.26 -4.86 119.74 126.26 2ati s LYS 437 Ca 0.09 2.05 0.11 0.00 0.02 0.00 0.00 55.97 58.25 2ati s LYS 437 Cb -0.17 -4.03 -0.05 0.00 -0.52 0.00 0.00 37.83 33.06 2ati s LYS 437 CO 0.12 -1.05 -0.20 1.03 -0.92 0.00 0.00 175.35 174.32 2ati s ARG 438 N 4.38 1.60 -0.25 1.68 0.52 -0.97 -1.07 118.95 124.84 2ati s ARG 438 Ca 0.75 -1.70 -0.10 0.00 -0.52 0.00 0.00 55.73 54.17 2ati s ARG 438 Cb -0.31 -1.70 -0.04 0.00 0.52 0.00 0.00 34.95 33.41 2ati s ARG 438 CO 0.30 0.32 0.14 0.42 0.02 0.00 0.00 175.30 176.51 2ati s ILE 439 N -2.40 5.01 -0.64 1.52 1.01 0.11 -0.87 121.20 124.94 2ati s ILE 439 Ca 0.27 0.06 -0.26 0.00 0.00 0.00 0.00 60.65 60.73 2ati s ILE 439 Cb -0.05 -3.35 0.04 0.00 0.01 0.00 0.00 42.46 39.11 2ati s ILE 439 CO 0.13 0.32 1.12 0.21 0.00 0.00 0.00 174.94 176.72 2ati s ASN 440 N 1.40 6.28 0.50 3.58 3.84 0.16 -2.10 114.94 128.61 2ati s ASN 440 Ca 0.06 -0.38 0.27 0.00 0.21 0.00 0.00 52.86 53.02 2ati s ASN 440 Cb -0.15 -2.50 1.33 0.00 -0.55 0.00 0.00 41.25 39.38 2ati s ASN 440 CO 0.06 -1.52 2.01 0.24 -2.79 0.00 0.00 177.10 175.10 2ati h MET 441 N 9.64 0.00 -0.36 0.43 2.86 -1.74 -2.74 114.93 123.03 2ati h MET 441 Ca -0.27 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.20 2ati h MET 441 Cb 1.06 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.72 2ati h MET 441 CO 1.19 0.14 -0.44 0.00 1.06 0.00 0.00 176.91 178.87 2ati h ALA 442 N 1.86 0.53 -0.27 6.32 0.00 -1.90 -1.93 119.26 123.86 2ati h ALA 442 Ca -0.00 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 54.33 2ati h ALA 442 Cb 0.44 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2ati h ALA 442 CO 0.02 0.68 -0.28 0.45 0.00 0.00 0.00 179.25 180.11 2ati h HIS 443 N 0.74 0.63 -0.62 0.00 3.86 -1.87 -1.72 115.15 116.16 2ati h HIS 443 Ca 0.05 -0.15 -0.08 0.00 -1.16 0.00 0.00 60.37 59.03 2ati h HIS 443 Cb 1.04 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 29.34 2ati h HIS 443 CO 0.07 0.78 0.09 1.25 0.86 0.00 0.00 177.93 180.98 2ati h LEU 444 N 0.48 0.99 -0.70 2.43 5.85 -1.35 -2.41 115.31 120.59 2ati h LEU 444 Ca 0.06 -0.26 -0.11 0.00 0.84 0.00 0.00 57.88 58.41 2ati h LEU 444 Cb 0.74 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 2ati h LEU 444 CO 0.06 1.00 -0.13 0.00 -0.34 0.00 0.00 178.44 179.03 2ati h ILE 446 N 0.78 1.27 0.00 0.00 2.04 -1.16 -2.37 117.51 118.06 2ati h ILE 446 Ca 0.12 -0.90 -0.08 0.00 1.00 0.00 0.00 64.86 65.00 2ati h ILE 446 Cb 0.65 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 2ati h ILE 446 CO 0.05 0.27 -0.40 -0.37 0.00 0.00 0.00 178.15 177.69 2ati h VAL 447 N 0.00 1.02 -0.09 1.67 -1.51 -1.44 -3.11 116.25 112.79 2ati h VAL 447 Ca 0.04 -1.52 0.00 0.00 -1.23 0.00 0.00 66.70 63.99 2ati h VAL 447 Cb 0.41 1.89 0.00 0.00 -2.13 0.00 0.00 31.29 31.46 2ati h VAL 447 CO 0.01 0.39 0.00 0.61 -1.23 0.00 0.00 177.57 177.35 2ati n GLY 448 N 0.07 0.52 3.42 5.19 0.00 -0.81 -4.91 105.19 108.67 2ati n GLY 448 Ca -0.01 -0.54 -0.26 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.85 3.40 0.13 1.61 0.01 -0.90 -3.71 113.70 112.38 2ati s SER 449 Ca 0.34 -0.89 0.23 0.00 1.31 0.00 0.00 55.95 56.94 2ati s SER 449 Cb 0.20 -0.25 -0.03 0.00 0.21 0.00 0.00 66.02 66.15 2ati s SER 449 CO 0.31 0.09 0.95 0.00 0.41 0.00 0.00 173.24 175.01 2ati n HIS 450 N 0.13 0.64 -3.81 2.43 1.44 -0.61 -4.90 115.22 110.54 2ati n HIS 450 Ca -0.11 0.19 -0.13 0.00 -2.01 0.00 0.00 57.72 55.65 2ati n HIS 450 Cb 0.57 -0.76 -0.15 0.00 0.12 0.00 0.00 29.99 29.77 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 -3.35 -0.06 -0.10 1.59 0.00 -1.26 -4.56 121.76 114.01 2ati s ALA 451 Ca -0.01 0.26 0.02 0.00 0.00 0.00 0.00 51.96 52.23 2ati s ALA 451 Cb 0.11 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 23.06 2ati s ALA 451 CO 0.81 -0.07 -0.17 0.08 0.00 0.00 0.00 175.76 176.41 2ati s VAL 452 N 0.54 1.59 0.06 0.00 1.01 -0.63 -1.17 120.40 121.80 2ati s VAL 452 Ca -0.04 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.27 2ati s VAL 452 Cb -0.06 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 2ati s VAL 452 CO -0.02 0.46 -0.14 0.54 0.00 0.00 0.00 175.10 175.94 2ati s ASN 453 N 0.81 1.69 0.65 3.32 4.22 0.38 -1.02 114.94 124.99 2ati s ASN 453 Ca -0.10 -0.56 0.06 0.00 -2.14 0.00 0.00 52.86 50.13 2ati s ASN 453 Cb -0.16 -0.07 0.11 0.00 1.28 0.00 0.00 41.25 42.41 2ati s ASN 453 CO 0.01 -0.03 0.89 -0.83 -2.04 0.00 0.00 177.10 175.10 2ati s GLY 454 N -1.51 1.72 0.00 0.45 0.00 -1.05 -0.60 107.32 106.32 2ati s GLY 454 Ca -0.00 -2.09 0.12 0.00 0.00 0.00 0.00 44.72 42.74 2ati s GLY 454 CO 0.02 -1.55 1.18 3.33 0.00 0.00 0.00 173.10 176.08 2ati n VAL 455 N -2.50 0.76 -3.57 1.40 0.24 -1.26 -2.67 118.33 110.74 2ati n VAL 455 Ca 0.17 -0.88 -0.11 0.00 -2.04 0.00 0.00 64.34 61.48 2ati n VAL 455 Cb 0.62 0.68 -0.05 0.00 -1.47 0.00 0.00 33.84 33.62 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 -1.00 -1.91 0.21 2.33 0.00 -1.26 -0.95 121.76 119.18 2ati s ALA 456 Ca 0.22 1.51 -0.16 0.00 0.00 0.00 0.00 51.96 53.54 2ati s ALA 456 Cb 0.12 -0.54 0.21 0.00 0.00 0.00 0.00 23.12 22.91 2ati s ALA 456 CO 0.16 -0.35 1.61 0.87 0.00 0.00 0.00 175.76 178.05 2ati h LYS 457 N 2.54 -0.06 -0.58 0.00 1.57 -1.90 0.51 116.57 118.65 2ati h LYS 457 Ca -0.19 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.54 2ati h LYS 457 Cb 1.17 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.47 2ati h LYS 457 CO 0.32 -0.04 0.13 0.97 -0.57 0.00 0.00 179.45 180.26 2ati h ILE 458 N -0.07 1.24 -0.00 1.86 2.10 -1.91 -2.35 117.51 118.37 2ati h ILE 458 Ca 0.29 -0.86 -0.00 0.00 1.08 0.00 0.00 64.86 65.37 2ati h ILE 458 Cb 0.52 0.65 -0.00 0.00 -1.09 0.00 0.00 36.82 36.90 2ati h ILE 458 CO -0.69 0.32 -0.00 -0.74 -1.08 0.00 0.00 178.15 175.96 2ati h HIS 459 N 0.86 0.01 0.00 2.19 2.76 -1.58 -2.80 115.15 116.58 2ati h HIS 459 Ca 0.19 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.35 2ati h HIS 459 Cb 0.32 -0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.28 2ati h HIS 459 CO 0.02 0.54 -0.02 0.77 -1.30 0.00 0.00 177.93 177.94 2ati h SER 460 N -0.52 0.00 -0.17 3.26 0.02 -0.85 -0.93 113.55 114.35 2ati h SER 460 Ca 0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 2ati h SER 460 Cb 0.54 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.08 2ati h SER 460 CO 0.00 0.02 -0.29 -0.78 -1.14 0.00 0.00 176.83 174.64 2ati h ASP 461 N 0.00 0.56 -0.18 3.07 3.58 -1.41 -1.02 116.42 121.02 2ati h ASP 461 Ca -0.00 -0.53 -0.09 0.00 0.42 0.00 0.00 57.03 56.83 2ati h ASP 461 Cb 0.04 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 40.91 2ati h ASP 461 CO 0.00 0.98 -0.16 0.40 -2.88 0.00 0.00 179.24 177.59 2ati h ILE 462 N 0.15 1.25 -0.28 2.25 2.04 -1.13 0.17 117.51 121.97 2ati h ILE 462 Ca 0.01 -1.15 -0.08 0.00 1.00 0.00 0.00 64.86 64.65 2ati h ILE 462 Cb 0.87 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 2ati h ILE 462 CO 0.07 0.38 -0.12 0.58 0.00 0.00 0.00 178.15 179.05 2ati h VAL 463 N 0.53 1.29 0.20 1.67 2.07 -1.15 -0.23 116.25 120.62 2ati h VAL 463 Ca 0.09 -1.20 -0.01 0.00 0.82 0.00 0.00 66.70 66.40 2ati h VAL 463 Cb 0.58 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 2ati h VAL 463 CO 0.04 0.38 -0.09 0.50 0.02 0.00 0.00 177.57 178.41 2ati h LYS 464 N 0.31 -0.25 0.00 1.57 3.64 -0.93 -2.18 116.57 118.73 2ati h LYS 464 Ca 0.06 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2ati h LYS 464 Cb 0.63 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 2ati h LYS 464 CO 0.04 -0.17 -0.01 0.25 -2.27 0.00 0.00 179.45 177.29 2ati n THR 465 N -3.48 0.44 0.00 1.00 -2.24 0.58 -3.30 114.28 107.29 2ati n THR 465 Ca -0.03 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 2ati n THR 465 Cb 0.10 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 67.78 2ati n THR 465 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2ati n LYS 466 N -2.07 0.00 -0.01 -0.78 5.02 -0.78 -4.61 118.16 114.93 2ati n LYS 466 Ca 0.06 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.26 2ati n LYS 466 Cb 0.41 -0.03 -0.03 0.00 -0.02 0.00 0.00 35.03 35.35 2ati n LYS 466 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2ati h VAL 467 N 0.00 0.75 -1.25 -0.18 2.07 -1.20 -3.07 116.25 113.37 2ati h VAL 467 Ca 0.00 0.00 -0.60 0.00 0.82 0.00 0.00 66.70 66.92 2ati h VAL 467 Cb 0.00 0.75 -0.40 0.00 -1.52 0.00 0.00 31.29 30.13 2ati h VAL 467 CO 0.00 0.00 -0.43 0.49 0.02 0.00 0.00 177.57 177.65 2ati n PHE 468 N -5.22 3.12 -0.25 1.57 3.01 -0.82 -4.83 117.46 114.04 2ati n PHE 468 Ca -0.03 -2.70 0.00 0.00 1.01 0.00 0.00 57.45 55.73 2ati n PHE 468 Cb 0.15 -0.41 0.12 0.00 -0.01 0.00 0.00 39.48 39.33 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 2.43 0.65 -0.07 -1.08 3.64 -1.52 -2.27 116.57 118.35 2ati h LYS 469 Ca 0.38 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.68 2ati h LYS 469 Cb 1.04 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.70 2ati h LYS 469 CO 0.95 0.43 -0.16 -0.44 -2.27 0.00 0.00 179.45 177.96 2ati h ASP 470 N 0.67 0.10 0.21 4.20 3.32 -1.87 -2.59 116.42 120.46 2ati h ASP 470 Ca 0.33 -0.02 -0.32 0.00 0.02 0.00 0.00 57.03 57.04 2ati h ASP 470 Cb 0.28 -0.03 0.04 0.00 0.22 0.00 0.00 39.33 39.84 2ati h ASP 470 CO -0.23 0.27 -1.39 -0.26 -1.72 0.00 0.00 179.24 175.92 2ati h PHE 471 N 0.10 0.99 0.00 4.55 -1.00 -1.80 -3.29 116.94 116.49 2ati h PHE 471 Ca 0.02 -0.69 -0.01 0.00 2.81 0.00 0.00 57.97 60.10 2ati h PHE 471 Cb 0.35 -0.05 -0.00 0.00 3.61 0.00 0.00 35.95 39.85 2ati h PHE 471 CO 0.00 1.53 -0.06 0.66 -1.61 0.00 0.00 178.31 178.84 2ati h SER 472 N 0.17 0.00 0.06 2.17 4.64 -1.27 -2.45 113.55 116.86 2ati h SER 472 Ca -0.23 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.84 2ati h SER 472 Cb 2.08 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 64.18 2ati h SER 472 CO 0.26 0.06 -0.95 -0.33 -0.87 0.00 0.00 176.83 175.00 2ati h GLU 473 N 0.00 0.64 -0.09 4.77 5.08 -1.55 -3.04 114.58 120.40 2ati h GLU 473 Ca -0.00 -0.64 -0.06 0.00 -1.00 0.00 0.00 59.36 57.65 2ati h GLU 473 Cb 0.52 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2ati h GLU 473 CO 0.01 1.24 -0.20 -0.07 -1.00 0.00 0.00 179.01 178.99 2ati h LEU 474 N 0.38 0.33 -7.15 1.33 4.07 -1.57 -3.40 115.31 109.30 2ati h LEU 474 Ca -0.10 -0.58 -0.61 0.00 0.08 0.00 0.00 57.88 56.67 2ati h LEU 474 Cb 1.59 -0.09 -0.40 0.00 1.08 0.00 0.00 40.66 42.83 2ati h LEU 474 CO 0.18 0.84 -0.72 -1.61 -1.08 0.00 0.00 178.44 176.05 2ati s GLU 475 N -3.92 1.30 0.32 1.13 2.02 -0.95 -5.01 118.70 113.59 2ati s GLU 475 Ca -0.15 -1.90 0.07 0.00 0.02 0.00 0.00 54.97 53.01 2ati s GLU 475 Cb 0.04 -2.50 0.54 0.00 0.10 0.00 0.00 34.13 32.30 2ati s GLU 475 CO 0.75 -1.10 1.76 -1.35 0.02 0.00 0.00 175.26 175.35 2ati h PRO 476 N 7.05 0.27 -0.01 0.39 0.11 -1.76 -3.19 132.00 134.88 2ati h PRO 476 Ca -0.05 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.96 2ati h PRO 476 Cb 0.95 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.04 2ati h PRO 476 CO 0.51 0.56 -0.01 -0.25 -0.21 0.00 0.00 178.00 178.60 2ati n ASP 477 N -4.11 0.54 0.02 -2.05 8.00 -1.26 -3.97 116.55 113.72 2ati n ASP 477 Ca -0.01 -1.11 -0.19 0.00 0.71 0.00 0.00 54.79 54.19 2ati n ASP 477 Cb 0.41 -0.01 -0.14 0.00 -0.02 0.00 0.00 41.12 41.36 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 0.83 0.27 -6.36 -1.24 3.64 -1.79 -3.46 116.57 108.46 2ati h LYS 478 Ca 0.00 -0.42 -0.54 0.00 -1.27 0.00 0.00 60.65 58.42 2ati h LYS 478 Cb 0.20 0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 2ati h LYS 478 CO 0.00 1.17 0.35 -0.06 -2.27 0.00 0.00 179.45 178.64 2ati s PHE 479 N -2.58 3.64 0.29 1.91 0.40 -1.25 -1.60 117.98 118.79 2ati s PHE 479 Ca -0.14 1.64 -0.03 0.00 -0.60 0.00 0.00 56.93 57.80 2ati s PHE 479 Cb 0.01 -3.09 -0.01 0.00 0.51 0.00 0.00 43.02 40.44 2ati s PHE 479 CO 0.81 -0.01 0.37 1.14 0.70 0.00 0.00 175.22 178.22 2ati s GLN 480 N 1.05 1.65 -0.04 0.44 -2.07 -0.19 -4.96 119.66 115.55 2ati s GLN 480 Ca 0.50 -1.66 0.04 0.00 -1.82 0.00 0.00 55.36 52.43 2ati s GLN 480 Cb -0.20 0.39 -0.03 0.00 -1.09 0.00 0.00 33.01 32.08 2ati s GLN 480 CO 0.26 -0.65 -0.16 1.21 -1.32 0.00 0.00 175.29 174.63 2ati s ASN 481 N -3.19 3.86 -0.36 12.60 3.04 -1.26 -2.54 114.94 127.09 2ati s ASN 481 Ca 0.32 -0.25 0.01 0.00 0.04 0.00 0.00 52.86 52.98 2ati s ASN 481 Cb 0.02 -0.75 0.15 0.00 -1.54 0.00 0.00 41.25 39.12 2ati s ASN 481 CO 0.17 0.34 0.26 -0.54 -3.04 0.00 0.00 177.10 174.29 2ati s LYS 482 N -0.75 0.59 0.16 0.43 -0.14 -1.09 -4.95 119.74 113.98 2ati s LYS 482 Ca 0.11 -1.26 -0.32 0.00 -1.36 0.00 0.00 55.97 53.15 2ati s LYS 482 Cb -0.10 -1.16 -0.12 0.00 -1.68 0.00 0.00 37.83 34.77 2ati s LYS 482 CO 0.01 -1.22 1.76 2.41 -0.76 0.00 0.00 175.35 177.55 2ati n THR 483 N 4.01 0.18 -0.66 2.17 -1.04 -1.26 -4.25 114.28 113.43 2ati n THR 483 Ca 0.13 -0.03 -0.31 0.00 -2.04 0.00 0.00 64.05 61.80 2ati n THR 483 Cb 0.40 -2.00 0.18 0.00 -1.82 0.00 0.00 70.33 67.09 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 4.72 -1.53 -3.64 8.00 3.02 -0.12 -4.64 115.26 121.07 2ati n ASN 484 Ca 0.17 0.12 -0.10 0.00 -0.03 0.00 0.00 54.58 54.75 2ati n ASN 484 Cb 0.35 -1.22 -0.03 0.00 -0.61 0.00 0.00 39.78 38.27 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 -2.21 0.55 0.07 7.41 0.00 -1.26 -4.80 107.32 107.08 2ati s GLY 485 Ca 0.62 -0.86 0.04 0.00 0.00 0.00 0.00 44.72 44.52 2ati s GLY 485 CO 0.64 -0.53 -0.12 -0.26 0.00 0.00 0.00 173.10 172.84 2ati s ILE 486 N -3.51 0.96 -0.07 0.90 -4.36 -0.02 -4.57 121.20 110.53 2ati s ILE 486 Ca 0.20 -1.34 -0.29 0.00 -0.26 0.00 0.00 60.65 58.96 2ati s ILE 486 Cb -0.02 -1.04 -0.02 0.00 1.25 0.00 0.00 42.46 42.62 2ati s ILE 486 CO 0.11 -0.33 0.98 0.28 0.24 0.00 0.00 174.94 176.22 2ati s THR 487 N -1.57 4.82 -1.78 8.37 -1.32 -1.26 -0.73 115.64 122.17 2ati s THR 487 Ca -0.02 2.02 0.20 0.00 -1.21 0.00 0.00 61.69 62.68 2ati s THR 487 Cb -0.08 -4.30 0.49 0.00 -1.51 0.00 0.00 72.50 67.09 2ati s THR 487 CO 0.01 0.06 1.61 -0.81 -2.21 0.00 0.00 174.62 173.28 2ati n PRO 488 N 4.63 0.50 -0.00 7.08 -0.04 -1.26 -1.68 135.00 144.22 2ati n PRO 488 Ca 0.07 0.04 -0.00 0.00 -0.04 0.00 0.00 63.50 63.57 2ati n PRO 488 Cb 0.50 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.45 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 -0.02 -0.53 0.54 -0.00 -1.93 -2.22 114.38 110.21 2ati h ARG 489 Ca 0.00 0.00 -0.10 0.00 -0.50 0.00 0.00 59.98 59.38 2ati h ARG 489 Cb 0.07 0.01 -0.02 0.00 0.00 0.00 0.00 29.97 30.03 2ati h ARG 489 CO 0.00 -0.02 -0.06 -0.09 0.00 0.00 0.00 179.97 179.80 2ati h ARG 490 N -0.31 0.96 -0.53 0.04 2.43 -1.97 -0.11 114.38 114.89 2ati h ARG 490 Ca -0.00 -0.32 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 2ati h ARG 490 Cb 0.02 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 2ati h ARG 490 CO 0.00 0.98 0.00 0.91 -1.51 0.00 0.00 179.97 180.35 2ati n TRP 491 N -4.17 0.70 0.09 2.20 7.02 -0.68 -2.50 117.44 120.11 2ati n TRP 491 Ca 0.02 -0.29 0.00 0.00 -1.02 0.00 0.00 57.50 56.21 2ati n TRP 491 Cb 0.37 -0.12 0.00 0.00 -2.42 0.00 0.00 31.31 29.14 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 0.48 -1.24 -0.35 -0.99 7.94 -1.13 -4.77 117.00 116.93 2ati n LEU 492 Ca 0.13 0.33 0.01 0.00 -1.11 0.00 0.00 56.01 55.36 2ati n LEU 492 Cb 0.47 1.38 0.15 0.00 0.53 0.00 0.00 43.42 45.94 2ati n LEU 492 CO 0.11 -0.31 1.25 -0.07 -1.11 0.00 0.00 177.39 177.27 2ati h LEU 493 N 0.00 1.02 0.00 -1.96 3.38 -0.77 -0.92 115.31 116.05 2ati h LEU 493 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ati h LEU 493 Cb 0.00 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.53 2ati h LEU 493 CO 0.00 0.68 -0.05 0.25 0.09 0.00 0.00 178.44 179.41 2ati h LEU 494 N 1.17 0.00 -1.61 1.67 6.46 -1.18 -3.35 115.31 118.48 2ati h LEU 494 Ca 0.40 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 58.11 2ati h LEU 494 Cb 0.08 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.00 2ati h LEU 494 CO -0.14 0.36 -0.21 0.00 -0.62 0.00 0.00 178.44 177.82 2ati n ASN 496 N -4.16 1.48 0.28 0.00 2.85 -0.35 -4.84 115.26 110.53 2ati n ASN 496 Ca -0.02 -2.95 0.13 0.00 -0.11 0.00 0.00 54.58 51.63 2ati n ASN 496 Cb 0.28 -0.65 0.81 0.00 1.24 0.00 0.00 39.78 41.46 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 4.28 0.00 -0.20 1.20 0.13 -1.69 -1.94 132.00 133.77 2ati h PRO 497 Ca 0.14 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.21 2ati h PRO 497 Cb 0.80 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.93 2ati h PRO 497 CO 0.59 0.05 -0.09 0.78 -0.23 0.00 0.00 178.00 179.11 2ati h GLY 498 N 0.33 0.45 1.52 1.56 0.00 -1.92 -1.43 103.07 103.58 2ati h GLY 498 Ca -0.00 -0.40 -0.20 0.00 0.00 0.00 0.00 47.33 46.73 2ati h GLY 498 CO 0.01 0.36 -0.81 -2.00 0.00 0.00 0.00 176.54 174.10 2ati h LEU 499 N 0.11 0.56 -0.80 3.11 5.85 -1.85 -2.17 115.31 120.12 2ati h LEU 499 Ca 0.05 -0.40 -0.02 0.00 0.84 0.00 0.00 57.88 58.35 2ati h LEU 499 Cb 0.57 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 2ati h LEU 499 CO 0.03 1.17 0.43 0.00 -0.34 0.00 0.00 178.44 179.72 2ati h ALA 500 N 0.81 1.03 -0.35 1.25 0.00 -1.35 -0.87 119.26 119.80 2ati h ALA 500 Ca -0.05 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 2ati h ALA 500 Cb 1.41 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2ati h ALA 500 CO 0.14 0.55 -0.14 1.49 0.00 0.00 0.00 179.25 181.29 2ati h GLU 501 N 1.12 0.71 0.06 0.00 4.81 -1.23 -2.24 114.58 117.80 2ati h GLU 501 Ca 0.28 -0.30 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2ati h GLU 501 Cb 0.05 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.41 2ati h GLU 501 CO -0.04 0.90 -0.03 1.25 -0.73 0.00 0.00 179.01 180.36 2ati h LEU 502 N 0.49 -0.07 -0.75 1.64 6.46 -0.99 -1.55 115.31 120.54 2ati h LEU 502 Ca 0.08 -0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.83 2ati h LEU 502 Cb 0.67 0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.59 2ati h LEU 502 CO 0.05 -0.03 0.50 0.40 -0.62 0.00 0.00 178.44 178.73 2ati h ILE 503 N -0.11 1.19 -0.34 4.05 2.04 -1.17 -2.73 117.51 120.43 2ati h ILE 503 Ca -0.01 -0.35 -0.07 0.00 1.00 0.00 0.00 64.86 65.44 2ati h ILE 503 Cb 0.09 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.24 2ati h ILE 503 CO 0.01 0.18 -0.08 0.00 0.00 0.00 0.00 178.15 178.27 2ati h ALA 504 N 1.28 1.23 0.00 1.87 0.00 -1.20 -0.87 119.26 121.57 2ati h ALA 504 Ca 0.28 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2ati h ALA 504 Cb -0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2ati h ALA 504 CO -0.06 0.50 -0.24 0.93 0.00 0.00 0.00 179.25 180.38 2ati h GLU 505 N 0.53 0.00 0.04 0.00 5.08 -0.99 -2.12 114.58 117.12 2ati h GLU 505 Ca 0.10 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 58.08 2ati h GLU 505 Cb 0.46 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.66 2ati h GLU 505 CO 0.02 0.24 -2.32 1.63 -1.00 0.00 0.00 179.01 177.59 2ati n LYS 506 N -3.42 0.68 0.00 2.33 4.76 -0.98 -4.76 118.16 116.77 2ati n LYS 506 Ca 0.00 0.20 0.00 0.00 -2.87 0.00 0.00 58.31 55.64 2ati n LYS 506 Cb 0.44 -1.58 0.00 0.00 -1.84 0.00 0.00 35.03 32.05 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 -3.39 0.14 0.00 -0.18 -5.35 -0.37 -5.07 119.36 105.14 2ati n ILE 507 Ca -0.42 -0.48 0.00 0.00 -0.27 0.00 0.00 62.75 61.57 2ati n ILE 507 Cb 1.00 1.07 0.00 0.00 -1.74 0.00 0.00 39.64 39.97 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 -0.07 1.27 0.73 3.28 0.00 -0.80 -4.75 105.19 104.86 2ati n GLY 508 Ca 0.00 -1.97 0.07 0.00 0.00 0.00 0.00 46.02 44.12 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 1.81 1.92 0.05 1.61 0.28 -1.26 -4.29 120.64 120.76 2ati n GLU 509 Ca 0.00 -1.43 0.11 0.00 -0.16 0.00 0.00 57.16 55.68 2ati n GLU 509 Cb 0.00 -1.33 0.44 0.00 1.43 0.00 0.00 31.44 31.98 2ati n GLU 509 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2ati n ASP 510 N 0.66 0.30 0.27 -1.84 10.43 -1.26 -3.64 116.55 121.46 2ati n ASP 510 Ca 0.14 0.56 0.16 0.00 2.57 0.00 0.00 54.79 58.21 2ati n ASP 510 Cb 0.34 -0.63 0.69 0.00 1.84 0.00 0.00 41.12 43.37 2ati n ASP 510 CO 0.00 0.00 0.00 0.10 -1.07 0.00 0.00 177.20 176.23 2ati h TYR 511 N 0.00 0.00 -0.35 1.24 -0.00 -1.75 -3.17 116.97 112.94 2ati h TYR 511 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.73 58.61 2ati h TYR 511 Cb 0.41 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.13 2ati h TYR 511 CO 0.00 0.06 -0.24 0.28 -0.00 0.00 0.00 178.16 178.25 2ati h VAL 512 N 0.00 1.29 0.00 -0.90 2.07 -1.93 -2.66 116.25 114.12 2ati h VAL 512 Ca -0.00 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.13 2ati h VAL 512 Cb 0.50 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 2ati h VAL 512 CO 0.01 0.46 -0.40 0.29 0.02 0.00 0.00 177.57 177.95 2ati n LYS 513 N -4.24 0.28 -3.40 1.57 5.02 -1.23 -4.52 118.16 111.65 2ati n LYS 513 Ca -0.02 0.13 -0.20 0.00 -2.02 0.00 0.00 58.31 56.19 2ati n LYS 513 Cb 0.45 -1.73 -0.09 0.00 -0.02 0.00 0.00 35.03 33.64 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 -4.32 1.74 0.40 4.39 3.68 -1.20 -5.03 116.67 116.34 2ati s ASP 514 Ca 0.08 -1.65 0.28 0.00 2.13 0.00 0.00 52.55 53.39 2ati s ASP 514 Cb 0.13 0.28 1.33 0.00 -1.45 0.00 0.00 42.92 43.22 2ati s ASP 514 CO 0.68 -0.29 1.85 0.25 0.13 0.00 0.00 175.17 177.79 2ati h LEU 515 N 7.20 0.00 -1.00 -1.34 5.85 -1.70 -2.63 115.31 121.69 2ati h LEU 515 Ca 0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2ati h LEU 515 Cb 1.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.06 2ati h LEU 515 CO 0.24 0.00 0.00 -1.54 -0.34 0.00 0.00 178.44 176.80 2ati n SER 516 N -2.54 0.64 0.00 1.25 3.41 -1.26 -1.62 113.62 113.50 2ati n SER 516 Ca 0.00 0.71 0.10 0.00 -0.26 0.00 0.00 58.87 59.42 2ati n SER 516 Cb 0.17 -0.82 0.51 0.00 -0.26 0.00 0.00 64.21 63.80 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 -2.26 0.28 0.21 4.33 1.13 -0.99 -2.71 117.38 117.37 2ati n GLN 517 Ca 0.01 0.10 0.15 0.00 -1.94 0.00 0.00 57.00 55.31 2ati n GLN 517 Cb 0.16 -1.50 0.64 0.00 0.11 0.00 0.00 30.24 29.64 2ati n GLN 517 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2ati h LEU 518 N 0.00 0.00 -1.77 1.08 3.38 -1.55 -2.72 115.31 113.73 2ati h LEU 518 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ati h LEU 518 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2ati h LEU 518 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 178.44 179.24 2ati h THR 519 N 0.00 0.00 0.00 0.22 1.35 -1.30 -2.26 112.91 110.92 2ati h THR 519 Ca 0.00 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 2ati h THR 519 Cb 0.36 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 2ati h THR 519 CO 0.00 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.56 2ati n LYS 520 N -2.75 0.18 0.00 4.72 5.02 -1.02 -2.66 118.16 121.64 2ati n LYS 520 Ca -0.01 0.12 0.12 0.00 -2.02 0.00 0.00 58.31 56.53 2ati n LYS 520 Cb 0.17 -1.50 0.56 0.00 -0.02 0.00 0.00 35.03 34.24 2ati n LYS 520 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2ati n LEU 521 N -1.37 0.00 0.15 -0.35 4.77 -0.85 -3.14 117.00 116.21 2ati n LEU 521 Ca 0.08 0.44 0.13 0.00 -0.03 0.00 0.00 56.01 56.62 2ati n LEU 521 Cb 0.19 -0.44 0.53 0.00 -2.33 0.00 0.00 43.42 41.37 2ati n LEU 521 CO 0.16 -0.07 0.87 0.45 -1.33 0.00 0.00 177.39 177.48 2ati h HIS 522 N 0.00 0.00 0.00 -1.77 3.86 -1.74 -2.55 115.15 112.95 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 0.37 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.84 2ati h HIS 522 CO 0.00 0.00 0.00 0.43 0.86 0.00 0.00 177.93 179.22 2ati n SER 523 N -2.34 0.22 -0.88 2.45 7.64 -1.19 -2.78 113.62 116.74 2ati n SER 523 Ca 0.02 0.55 0.05 0.00 1.01 0.00 0.00 58.87 60.49 2ati n SER 523 Cb 0.22 -0.60 0.23 0.00 -1.01 0.00 0.00 64.21 63.04 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 -1.74 0.88 -0.31 1.43 3.01 -0.96 -4.80 117.46 114.97 2ati n PHE 524 Ca 0.03 -1.11 -0.04 0.00 1.01 0.00 0.00 57.45 57.34 2ati n PHE 524 Cb 0.20 -0.35 0.08 0.00 -0.01 0.00 0.00 39.48 39.40 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 1.34 1.02 -0.93 4.37 3.38 -1.70 -2.96 115.31 119.83 2ati h LEU 525 Ca 0.07 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2ati h LEU 525 Cb 1.46 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2ati h LEU 525 CO 0.25 0.81 -0.30 0.61 0.09 0.00 0.00 178.44 179.89 2ati n GLY 526 N -1.16 -0.08 3.59 0.83 0.00 -1.26 -4.90 105.19 102.21 2ati n GLY 526 Ca 0.08 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.39 6.25 0.32 1.61 3.68 -1.12 -4.90 116.67 120.13 2ati s ASP 527 Ca 0.23 0.66 0.26 0.00 2.13 0.00 0.00 52.55 55.83 2ati s ASP 527 Cb 0.19 -2.54 1.02 0.00 -1.45 0.00 0.00 42.92 40.14 2ati s ASP 527 CO 0.50 -1.54 1.78 0.44 0.13 0.00 0.00 175.17 176.48 2ati h ASP 528 N 10.91 0.00 -0.05 -0.34 5.19 -1.90 -2.82 116.42 127.41 2ati h ASP 528 Ca -0.27 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 55.97 2ati h ASP 528 Cb 1.10 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.62 2ati h ASP 528 CO 1.12 0.00 -0.64 0.58 -3.12 0.00 0.00 179.24 177.18 2ati h VAL 529 N 0.00 1.37 -0.30 -1.35 2.07 -1.96 -2.97 116.25 113.12 2ati h VAL 529 Ca 0.00 -2.00 -0.17 0.00 0.82 0.00 0.00 66.70 65.35 2ati h VAL 529 Cb 0.47 2.38 -0.00 0.00 -1.52 0.00 0.00 31.29 32.61 2ati h VAL 529 CO 0.00 0.60 -0.48 0.15 0.02 0.00 0.00 177.57 177.85 2ati h PHE 530 N 0.09 1.01 0.00 1.57 3.57 -1.86 -2.41 116.94 118.91 2ati h PHE 530 Ca -0.07 -0.33 -0.04 0.00 3.53 0.00 0.00 57.97 61.06 2ati h PHE 530 Cb 1.31 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.85 2ati h PHE 530 CO 0.12 1.14 -0.19 -0.07 -2.23 0.00 0.00 178.31 177.09 2ati h LEU 531 N 0.65 0.00 0.05 0.59 3.38 -1.58 -0.27 115.31 118.13 2ati h LEU 531 Ca 0.03 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.73 2ati h LEU 531 Cb 1.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 2ati h LEU 531 CO 0.11 0.19 -1.36 -0.09 0.09 0.00 0.00 178.44 177.37 2ati h ARG 532 N 0.00 0.11 -0.05 1.13 2.43 -1.43 -2.98 114.38 113.59 2ati h ARG 532 Ca -0.00 -0.19 -0.17 0.00 -0.81 0.00 0.00 59.98 58.81 2ati h ARG 532 Cb 0.43 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 2ati h ARG 532 CO 0.02 0.95 -0.71 0.93 -1.51 0.00 0.00 179.97 179.65 2ati h GLU 533 N 0.03 0.25 -0.36 0.20 5.08 -0.99 -1.56 114.58 117.23 2ati h GLU 533 Ca -0.16 -0.21 -0.14 0.00 -1.00 0.00 0.00 59.36 57.85 2ati h GLU 533 Cb 1.93 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 31.21 2ati h GLU 533 CO 0.14 0.86 -0.35 1.25 -1.00 0.00 0.00 179.01 179.91 2ati h LEU 534 N 0.17 0.86 -0.33 1.33 5.85 -1.13 -2.19 115.31 119.88 2ati h LEU 534 Ca -0.02 -0.37 -0.19 0.00 0.84 0.00 0.00 57.88 58.14 2ati h LEU 534 Cb 1.27 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 2ati h LEU 534 CO 0.11 1.13 -0.84 0.00 -0.34 0.00 0.00 178.44 178.49 2ati h ALA 535 N 0.92 0.58 -0.30 1.25 0.00 -1.46 -2.73 119.26 117.52 2ati h ALA 535 Ca 0.07 -0.72 -0.13 0.00 0.00 0.00 0.00 54.91 54.12 2ati h ALA 535 Cb 0.91 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2ati h ALA 535 CO 0.08 0.95 -0.35 -0.22 0.00 0.00 0.00 179.25 179.71 2ati h LYS 536 N 0.07 0.68 -0.44 0.00 3.64 -1.16 0.04 116.57 119.40 2ati h LYS 536 Ca -0.03 -0.32 -0.10 0.00 -1.27 0.00 0.00 60.65 58.93 2ati h LYS 536 Cb 1.47 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.27 2ati h LYS 536 CO 0.12 0.93 -0.11 0.28 -2.27 0.00 0.00 179.45 178.40 2ati h VAL 537 N 0.57 1.27 -0.39 2.00 2.07 -1.38 -1.28 116.25 119.12 2ati h VAL 537 Ca 0.06 -1.22 -0.09 0.00 0.82 0.00 0.00 66.70 66.27 2ati h VAL 537 Cb 0.86 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 2ati h VAL 537 CO 0.07 0.41 -0.12 0.50 0.02 0.00 0.00 177.57 178.46 2ati h LYS 538 N 0.68 0.70 -0.31 1.57 1.63 -1.29 -2.53 116.57 117.02 2ati h LYS 538 Ca 0.11 -0.22 -0.15 0.00 -0.85 0.00 0.00 60.65 59.54 2ati h LYS 538 Cb 0.64 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.20 2ati h LYS 538 CO 0.04 0.79 -0.41 0.37 -3.45 0.00 0.00 179.45 176.79 2ati h GLN 539 N 0.63 0.75 -0.61 1.90 5.75 -0.75 -1.56 115.11 121.22 2ati h GLN 539 Ca 0.11 -0.40 -0.05 0.00 -0.15 0.00 0.00 58.65 58.16 2ati h GLN 539 Cb 0.56 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.10 2ati h GLN 539 CO 0.04 1.02 0.17 0.93 -2.65 0.00 0.00 178.83 178.33 2ati h GLU 540 N 0.61 0.95 -0.19 1.69 5.08 -1.05 -0.45 114.58 121.21 2ati h GLU 540 Ca 0.05 -0.20 -0.18 0.00 -1.00 0.00 0.00 59.36 58.03 2ati h GLU 540 Cb 0.96 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 2ati h GLU 540 CO 0.09 0.83 -0.61 -0.91 -1.00 0.00 0.00 179.01 177.41 2ati h ASN 541 N 0.91 0.72 -0.42 1.42 2.35 -1.30 -2.64 115.58 116.62 2ati h ASN 541 Ca 0.20 -0.41 -0.14 0.00 -0.55 0.00 0.00 56.30 55.39 2ati h ASN 541 Cb 0.30 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 2ati h ASN 541 CO -0.00 1.16 -0.29 0.11 -1.65 0.00 0.00 177.43 176.76 2ati h LYS 542 N 0.47 0.96 -0.19 0.81 1.57 -0.95 -2.25 116.57 116.99 2ati h LYS 542 Ca -0.01 -0.45 -0.12 0.00 -1.87 0.00 0.00 60.65 58.20 2ati h LYS 542 Cb 1.19 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 2ati h LYS 542 CO 0.12 1.11 -0.41 -0.07 -0.57 0.00 0.00 179.45 179.63 2ati h LEU 543 N 0.81 0.45 -0.22 2.94 3.38 -1.09 0.48 115.31 122.06 2ati h LEU 543 Ca 0.09 -0.20 -0.17 0.00 0.09 0.00 0.00 57.88 57.69 2ati h LEU 543 Cb 0.87 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2ati h LEU 543 CO 0.08 0.81 -0.55 0.50 0.09 0.00 0.00 178.44 179.38 2ati h LYS 544 N 0.36 0.76 0.00 1.13 3.64 -1.43 -2.96 116.57 118.06 2ati h LYS 544 Ca 0.03 -0.52 -0.11 0.00 -1.27 0.00 0.00 60.65 58.78 2ati h LYS 544 Cb 0.87 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.75 2ati h LYS 544 CO 0.07 1.14 -0.52 0.35 -2.27 0.00 0.00 179.45 178.23 2ati h PHE 545 N 0.49 0.00 -0.01 1.91 3.57 -1.29 -3.07 116.94 118.54 2ati h PHE 545 Ca -0.01 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.39 2ati h PHE 545 Cb 1.16 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.89 2ati h PHE 545 CO 0.09 0.52 -0.50 0.77 -2.23 0.00 0.00 178.31 176.95 2ati h SER 546 N 0.00 0.02 0.22 0.41 0.02 -0.87 -2.13 113.55 111.22 2ati h SER 546 Ca -0.01 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.84 2ati h SER 546 Cb 1.19 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.71 2ati h SER 546 CO 0.07 0.52 -0.37 1.56 -1.14 0.00 0.00 176.83 177.47 2ati h GLN 547 N 0.01 0.22 -0.05 3.45 4.20 -1.42 -2.26 115.11 119.26 2ati h GLN 547 Ca -0.00 -0.09 -0.22 0.00 0.06 0.00 0.00 58.65 58.39 2ati h GLN 547 Cb 0.89 -0.01 0.02 0.00 0.30 0.00 0.00 27.48 28.68 2ati h GLN 547 CO 0.07 0.56 -0.84 0.35 -0.67 0.00 0.00 178.83 178.30 2ati h PHE 548 N 0.19 0.94 -0.50 2.96 3.57 -1.49 -3.25 116.94 119.36 2ati h PHE 548 Ca 0.02 -0.48 -0.07 0.00 3.53 0.00 0.00 57.97 60.97 2ati h PHE 548 Cb 0.74 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 2ati h PHE 548 CO 0.01 1.30 0.01 -0.07 -2.23 0.00 0.00 178.31 177.34 2ati h LEU 549 N 0.31 0.80 -0.71 0.59 3.38 -1.20 -2.82 115.31 115.66 2ati h LEU 549 Ca -0.09 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2ati h LEU 549 Cb 1.50 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.04 2ati h LEU 549 CO 0.17 0.86 0.00 -0.33 0.09 0.00 0.00 178.44 179.23 2ati h GLU 550 N 0.78 0.00 0.00 1.13 5.08 -1.51 -1.00 114.58 119.05 2ati h GLU 550 Ca 0.15 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.38 2ati h GLU 550 Cb 0.45 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 2ati h GLU 550 CO 0.02 0.00 -1.37 0.25 -1.00 0.00 0.00 179.01 176.91 2ati n THR 551 N -3.08 1.05 -0.04 1.13 -2.24 -1.17 -4.29 114.28 105.64 2ati n THR 551 Ca 0.02 -0.66 -0.04 0.00 -2.27 0.00 0.00 64.05 61.10 2ati n THR 551 Cb 0.42 -0.64 -0.14 0.00 -2.10 0.00 0.00 70.33 67.87 2ati n THR 551 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2ati n GLU 552 N -2.83 0.66 -4.24 -0.78 -0.58 -1.07 -4.97 120.64 106.83 2ati n GLU 552 Ca -0.08 0.07 -0.18 0.00 -0.42 0.00 0.00 57.16 56.55 2ati n GLU 552 Cb 0.78 -1.63 -0.13 0.00 -0.57 0.00 0.00 31.44 29.89 2ati n GLU 552 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 2ati s TYR 553 N -2.76 1.06 -0.90 -0.32 1.51 -0.38 -5.08 117.35 110.47 2ati s TYR 553 Ca -0.07 -0.39 -0.21 0.00 -1.01 0.00 0.00 57.07 55.39 2ati s TYR 553 Cb 0.08 -0.62 0.09 0.00 -0.11 0.00 0.00 41.96 41.40 2ati s TYR 553 CO 0.84 0.02 1.21 0.21 -1.11 0.00 0.00 175.55 176.72 2ati s LYS 554 N -1.29 3.49 -0.08 -0.62 2.20 -1.26 -4.28 119.74 117.91 2ati s LYS 554 Ca -0.01 -1.32 -0.17 0.00 -0.36 0.00 0.00 55.97 54.11 2ati s LYS 554 Cb -0.08 -4.90 0.04 0.00 -1.51 0.00 0.00 37.83 31.37 2ati s LYS 554 CO 0.01 -1.94 0.41 0.54 -0.36 0.00 0.00 175.35 174.01 2ati s VAL 555 N 3.82 0.03 -0.46 4.02 0.11 -1.26 -5.08 120.40 121.58 2ati s VAL 555 Ca 0.35 -0.22 -0.10 0.00 -2.93 0.00 0.00 61.98 59.09 2ati s VAL 555 Cb -0.05 -0.67 0.10 0.00 -1.53 0.00 0.00 36.38 34.23 2ati s VAL 555 CO -0.05 -0.12 0.33 -0.75 -3.33 0.00 0.00 175.10 171.18 2ati s LYS 556 N -0.70 2.58 0.03 1.54 2.47 -1.26 -4.67 119.74 119.73 2ati s LYS 556 Ca -0.08 -1.64 -0.30 0.00 -1.56 0.00 0.00 55.97 52.39 2ati s LYS 556 Cb -0.04 -3.92 -0.04 0.00 -1.46 0.00 0.00 37.83 32.38 2ati s LYS 556 CO 0.04 -1.12 1.09 0.42 0.16 0.00 0.00 175.35 175.94 2ati s ILE 557 N 1.41 4.45 -0.27 5.43 -1.09 -1.26 -4.94 121.20 124.95 2ati s ILE 557 Ca 0.05 1.76 -0.29 0.00 -2.23 0.00 0.00 60.65 59.94 2ati s ILE 557 Cb -0.25 -4.13 0.01 0.00 -1.58 0.00 0.00 42.46 36.51 2ati s ILE 557 CO 0.01 0.14 1.04 0.21 -1.23 0.00 0.00 174.94 175.11 2ati s ASN 558 N 1.03 7.02 0.54 3.58 3.84 -1.26 -4.94 114.94 124.74 2ati s ASN 558 Ca 0.55 1.23 0.31 0.00 0.21 0.00 0.00 52.86 55.16 2ati s ASN 558 Cb -0.25 -2.53 1.52 0.00 -0.55 0.00 0.00 41.25 39.43 2ati s ASN 558 CO 0.29 -0.74 2.07 1.55 -2.79 0.00 0.00 177.10 177.48 2ati h PRO 559 N 7.71 0.00 -0.02 0.43 0.13 -1.97 -2.84 132.00 135.44 2ati h PRO 559 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 2ati h PRO 559 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2ati h PRO 559 CO 0.99 0.09 -0.04 -1.13 -0.23 0.00 0.00 178.00 177.68 2ati n SER 560 N -3.41 1.85 -4.79 1.44 3.41 -1.26 -4.97 113.62 105.89 2ati n SER 560 Ca -0.01 -1.57 -0.32 0.00 -0.26 0.00 0.00 58.87 56.70 2ati n SER 560 Cb 0.25 0.03 0.03 0.00 -0.26 0.00 0.00 64.21 64.26 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 -2.06 5.43 -0.21 4.04 1.04 -1.07 -4.90 113.70 115.97 2ati s SER 561 Ca 0.34 1.83 -0.26 0.00 0.48 0.00 0.00 55.95 58.34 2ati s SER 561 Cb 0.20 -2.53 -0.01 0.00 0.10 0.00 0.00 66.02 63.79 2ati s SER 561 CO 0.35 -1.41 0.87 -0.32 0.98 0.00 0.00 173.24 173.72 2ati s MET 562 N -4.31 4.25 -0.72 4.02 1.75 -0.13 -4.84 119.30 119.31 2ati s MET 562 Ca 0.63 1.05 -0.25 0.00 -1.25 0.00 0.00 55.69 55.87 2ati s MET 562 Cb -0.17 -3.61 0.05 0.00 2.84 0.00 0.00 34.83 33.93 2ati s MET 562 CO 0.43 -0.46 1.17 -0.06 -0.65 0.00 0.00 175.02 175.45 2ati s PHE 563 N 2.60 2.44 -0.45 4.11 0.40 -1.26 -0.95 117.98 124.87 2ati s PHE 563 Ca 0.38 -0.27 -0.20 0.00 -0.60 0.00 0.00 56.93 56.25 2ati s PHE 563 Cb -0.16 -4.51 0.03 0.00 0.51 0.00 0.00 43.02 38.89 2ati s PHE 563 CO 0.09 -1.92 0.60 0.34 0.70 0.00 0.00 175.22 175.03 2ati s ASP 564 N 3.75 6.27 -0.07 1.36 -1.08 -0.40 -0.71 116.67 125.80 2ati s ASP 564 Ca 0.31 -0.54 0.04 0.00 -0.52 0.00 0.00 52.55 51.84 2ati s ASP 564 Cb -0.11 -2.29 -0.00 0.00 -1.46 0.00 0.00 42.92 39.06 2ati s ASP 564 CO 0.12 -0.76 -0.20 -0.69 0.52 0.00 0.00 175.17 174.16 2ati s VAL 565 N 2.64 1.71 -0.39 1.11 1.01 -0.07 0.15 120.40 126.55 2ati s VAL 565 Ca 0.19 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.33 2ati s VAL 565 Cb -0.16 -1.47 0.12 0.00 0.00 0.00 0.00 36.38 34.87 2ati s VAL 565 CO 0.16 0.48 0.18 -1.58 0.00 0.00 0.00 175.10 174.34 2ati s GLN 566 N 0.17 1.16 -0.22 2.72 0.74 0.37 -1.65 119.66 122.95 2ati s GLN 566 Ca -0.10 -1.74 0.01 0.00 0.05 0.00 0.00 55.36 53.59 2ati s GLN 566 Cb -0.14 -2.36 0.04 0.00 1.10 0.00 0.00 33.01 31.64 2ati s GLN 566 CO 0.05 -1.08 -0.14 0.14 -0.55 0.00 0.00 175.29 173.70 2ati s VAL 567 N 0.76 2.22 0.02 1.34 -7.23 -1.26 -1.28 120.40 114.97 2ati s VAL 567 Ca 0.15 -1.26 -0.29 0.00 -1.81 0.00 0.00 61.98 58.77 2ati s VAL 567 Cb -0.22 -2.13 0.11 0.00 0.56 0.00 0.00 36.38 34.70 2ati s VAL 567 CO -0.08 0.24 1.22 -1.59 -0.31 0.00 0.00 175.10 174.59 2ati s LYS 568 N 1.21 0.57 0.43 4.82 -2.85 -0.84 -4.98 119.74 118.10 2ati s LYS 568 Ca -0.02 -0.33 -0.26 0.00 -1.00 0.00 0.00 55.97 54.37 2ati s LYS 568 Cb -0.17 0.19 -0.08 0.00 -2.06 0.00 0.00 37.83 35.71 2ati s LYS 568 CO -0.08 -0.26 1.37 1.03 0.10 0.00 0.00 175.35 177.51 2ati s ARG 569 N -2.48 3.81 -0.14 1.78 1.81 -1.26 -3.92 118.95 118.55 2ati s ARG 569 Ca 0.16 2.31 -0.29 0.00 -1.72 0.00 0.00 55.73 56.19 2ati s ARG 569 Cb 0.03 -2.70 -0.02 0.00 -0.45 0.00 0.00 34.95 31.80 2ati s ARG 569 CO -0.02 -0.67 1.31 0.42 -0.68 0.00 0.00 175.30 175.66 2ati s ILE 570 N -1.23 4.18 0.05 1.52 -1.09 -0.48 -4.90 121.20 119.26 2ati s ILE 570 Ca 0.59 1.43 -0.12 0.00 -2.23 0.00 0.00 60.65 60.32 2ati s ILE 570 Cb -0.41 -3.93 0.01 0.00 -1.58 0.00 0.00 42.46 36.56 2ati s ILE 570 CO 0.53 -0.12 0.27 -1.00 -1.23 0.00 0.00 174.94 173.39 2ati s HIS 571 N 3.47 -0.04 0.23 3.97 3.76 -1.26 -4.71 115.29 120.71 2ati s HIS 571 Ca 0.57 -0.16 0.09 0.00 -0.15 0.00 0.00 55.06 55.41 2ati s HIS 571 Cb -0.23 0.05 0.22 0.00 1.11 0.00 0.00 32.58 33.73 2ati s HIS 571 CO 0.17 -0.50 1.53 0.93 -0.85 0.00 0.00 174.74 176.02 2ati h GLU 572 N 3.18 0.04 -0.06 1.40 5.08 -1.96 -3.09 114.58 119.17 2ati h GLU 572 Ca -0.32 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 57.85 2ati h GLU 572 Cb 1.20 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2ati h GLU 572 CO 0.48 0.72 -0.66 0.10 -1.00 0.00 0.00 179.01 178.65 2ati h TYR 573 N 0.02 0.33 0.00 4.33 -0.00 -1.96 -2.96 116.97 116.74 2ati h TYR 573 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 58.73 58.58 2ati h TYR 573 Cb 1.24 -0.05 0.00 0.00 0.00 0.00 0.00 36.73 37.92 2ati h TYR 573 CO 0.00 0.84 0.00 1.63 -0.00 0.00 0.00 178.16 180.63 2ati n LYS 574 N -3.83 0.19 -3.63 0.10 5.02 -1.20 -2.72 118.16 112.09 2ati n LYS 574 Ca -0.03 0.22 -0.22 0.00 -2.02 0.00 0.00 58.31 56.26 2ati n LYS 574 Cb 0.66 -1.75 0.04 0.00 -0.02 0.00 0.00 35.03 33.95 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 -2.10 -4.00 0.22 1.97 1.74 -1.12 -3.92 116.66 109.46 2ati n ARG 575 Ca 0.05 0.63 0.16 0.00 -0.77 0.00 0.00 57.85 57.92 2ati n ARG 575 Cb 0.36 -5.10 0.67 0.00 -1.02 0.00 0.00 32.46 27.38 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 -1.77 0.00 -0.07 5.56 7.50 -1.86 -1.81 115.11 122.65 2ati h GLN 576 Ca -0.62 0.00 -0.16 0.00 0.50 0.00 0.00 58.65 58.37 2ati h GLN 576 Cb 1.35 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.87 2ati h GLN 576 CO 0.53 0.00 -0.67 1.25 -1.50 0.00 0.00 178.83 178.44 2ati h LEU 577 N 0.00 0.34 -0.63 1.46 5.85 -1.90 -1.64 115.31 118.80 2ati h LEU 577 Ca 0.00 -0.21 -0.13 0.00 0.84 0.00 0.00 57.88 58.37 2ati h LEU 577 Cb 0.36 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 2ati h LEU 577 CO 0.00 0.92 -0.32 0.25 -0.34 0.00 0.00 178.44 178.94 2ati h LEU 578 N 0.21 0.76 -0.54 2.25 6.46 -1.71 -1.88 115.31 120.86 2ati h LEU 578 Ca -0.02 -0.31 -0.08 0.00 -0.12 0.00 0.00 57.88 57.35 2ati h LEU 578 Cb 1.21 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.91 2ati h LEU 578 CO 0.11 1.02 0.01 -1.13 -0.62 0.00 0.00 178.44 177.83 2ati h ASN 579 N 0.62 0.92 -0.21 1.25 -0.00 -1.46 -2.75 115.58 113.96 2ati h ASN 579 Ca 0.07 -0.30 -0.07 0.00 -0.00 0.00 0.00 56.30 55.99 2ati h ASN 579 Cb 0.85 -0.25 -0.02 0.00 -0.00 0.00 0.00 38.32 38.90 2ati h ASN 579 CO 0.07 1.00 -0.10 0.00 -0.00 0.00 0.00 177.43 178.40 2ati h LEU 581 N 0.54 0.02 -0.04 0.00 3.38 -1.10 -2.39 115.31 115.72 2ati h LEU 581 Ca 0.10 -0.01 -0.26 0.00 0.09 0.00 0.00 57.88 57.81 2ati h LEU 581 Cb 0.49 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.25 2ati h LEU 581 CO 0.03 0.34 -1.07 -0.74 0.09 0.00 0.00 178.44 177.09 2ati h HIS 582 N 0.02 0.76 -0.66 1.13 2.76 -1.13 -2.43 115.15 115.59 2ati h HIS 582 Ca 0.00 -0.45 -0.04 0.00 -2.20 0.00 0.00 60.37 57.69 2ati h HIS 582 Cb 0.57 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.43 2ati h HIS 582 CO 0.00 1.29 0.26 0.28 -1.30 0.00 0.00 177.93 178.46 2ati h VAL 583 N 0.25 1.23 -0.19 5.26 2.07 -1.02 -1.18 116.25 122.66 2ati h VAL 583 Ca -0.12 -0.72 -0.18 0.00 0.82 0.00 0.00 66.70 66.50 2ati h VAL 583 Cb 1.73 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.94 2ati h VAL 583 CO 0.19 0.29 -0.61 0.40 0.02 0.00 0.00 177.57 177.86 2ati h ILE 584 N 0.95 1.31 -0.57 4.57 2.04 -1.46 -2.15 117.51 122.20 2ati h ILE 584 Ca 0.22 -1.86 -0.07 0.00 1.00 0.00 0.00 64.86 64.15 2ati h ILE 584 Cb 0.18 1.82 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 2ati h ILE 584 CO -0.02 0.58 0.06 0.74 0.00 0.00 0.00 178.15 179.52 2ati h THR 585 N 0.49 1.25 -0.43 -0.27 2.02 -1.03 -0.35 112.91 114.59 2ati h THR 585 Ca -0.01 -1.00 -0.14 0.00 0.77 0.00 0.00 66.41 66.04 2ati h THR 585 Cb 1.19 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 2ati h THR 585 CO 0.12 0.37 -0.27 0.24 0.37 0.00 0.00 175.52 176.34 2ati h MET 586 N 0.88 0.91 -0.54 6.66 2.86 -1.15 -2.10 114.93 122.45 2ati h MET 586 Ca 0.17 -0.41 -0.03 0.00 -2.06 0.00 0.00 59.70 57.37 2ati h MET 586 Cb 0.43 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 2ati h MET 586 CO 0.01 1.07 0.21 -0.92 1.06 0.00 0.00 176.91 178.34 2ati h TYR 587 N 0.78 0.83 0.00 -0.22 3.20 -0.96 -2.40 116.97 118.19 2ati h TYR 587 Ca 0.09 -0.06 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 2ati h TYR 587 Cb 0.84 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 2ati h TYR 587 CO 0.05 0.68 -0.17 -0.91 -1.64 0.00 0.00 178.16 176.17 2ati h ASN 588 N 0.73 0.00 0.76 -2.11 2.35 -0.92 -2.45 115.58 113.94 2ati h ASN 588 Ca 0.18 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.70 2ati h ASN 588 Cb 0.20 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 2ati h ASN 588 CO -0.01 0.17 -1.04 0.03 -1.65 0.00 0.00 177.43 174.93 2ati h ARG 589 N 0.00 0.14 -0.02 0.81 3.08 -0.98 -2.95 114.38 114.47 2ati h ARG 589 Ca -0.00 -0.21 -0.23 0.00 0.07 0.00 0.00 59.98 59.61 2ati h ARG 589 Cb 0.58 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.70 2ati h ARG 589 CO 0.02 1.05 -0.92 0.82 -1.07 0.00 0.00 179.97 179.87 2ati h ILE 590 N 0.05 1.38 0.00 2.04 2.04 -1.20 -3.05 117.51 118.77 2ati h ILE 590 Ca -0.06 -2.37 -0.10 0.00 1.00 0.00 0.00 64.86 63.33 2ati h ILE 590 Cb 1.76 2.36 -0.01 0.00 -0.74 0.00 0.00 36.82 40.18 2ati h ILE 590 CO 0.15 0.71 -0.47 0.11 0.00 0.00 0.00 178.15 178.66 2ati h LYS 591 N 0.27 0.00 0.06 2.37 1.79 -1.52 -2.82 116.57 116.72 2ati h LYS 591 Ca -0.08 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.39 2ati h LYS 591 Cb 1.56 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.21 2ati h LYS 591 CO 0.16 0.47 -0.03 -0.22 -1.08 0.00 0.00 179.45 178.75 2ati h LYS 592 N 0.00 -0.07 -3.26 3.15 3.64 -1.55 -3.41 116.57 115.07 2ati h LYS 592 Ca -0.00 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.78 2ati h LYS 592 Cb 1.01 0.02 -0.40 0.00 -0.41 0.00 0.00 32.23 32.44 2ati h LYS 592 CO 0.06 0.50 -0.75 -0.51 -2.27 0.00 0.00 179.45 176.49 2ati s ASP 593 N -5.73 3.81 0.21 4.20 1.01 -1.15 -5.03 116.67 113.98 2ati s ASP 593 Ca -0.15 -2.21 -0.09 0.00 0.71 0.00 0.00 52.55 50.81 2ati s ASP 593 Cb 0.00 -0.97 0.15 0.00 1.01 0.00 0.00 42.92 43.11 2ati s ASP 593 CO 0.60 -0.33 1.78 -0.65 0.21 0.00 0.00 175.17 176.78 2ati h PRO 594 N 7.29 1.13 -0.10 8.23 0.11 -1.74 -3.19 132.00 143.73 2ati h PRO 594 Ca -0.06 -0.19 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2ati h PRO 594 Cb 0.97 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.89 2ati h PRO 594 CO 0.47 0.91 0.00 1.63 -0.21 0.00 0.00 178.00 180.80 2ati n LYS 595 N -4.33 1.39 -2.12 1.05 5.02 -1.26 -4.91 118.16 113.00 2ati n LYS 595 Ca 0.07 -0.59 -0.32 0.00 -2.02 0.00 0.00 58.31 55.45 2ati n LYS 595 Cb 0.17 -1.32 -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 -1.87 3.57 -0.04 1.97 2.20 -1.21 -4.99 119.74 119.37 2ati s LYS 596 Ca 0.28 1.02 -0.30 0.00 -0.36 0.00 0.00 55.97 56.61 2ati s LYS 596 Cb 0.14 -2.08 -0.05 0.00 -1.51 0.00 0.00 37.83 34.34 2ati s LYS 596 CO 0.22 -0.59 1.44 -1.17 -0.36 0.00 0.00 175.35 174.89 2ati s LEU 597 N -4.51 4.29 -0.04 5.43 1.98 -1.26 -5.01 118.68 119.57 2ati s LEU 597 Ca 0.60 2.07 0.02 0.00 -2.89 0.00 0.00 54.13 53.93 2ati s LEU 597 Cb -0.13 -3.55 0.01 0.00 0.66 0.00 0.00 46.19 43.19 2ati s LEU 597 CO 0.38 -0.78 -0.07 0.12 -1.89 0.00 0.00 176.35 174.12 2ati s PHE 598 N 3.00 0.86 -0.41 5.38 2.19 -1.26 -5.11 117.98 122.63 2ati s PHE 598 Ca 0.65 -0.24 -0.26 0.00 0.33 0.00 0.00 56.93 57.40 2ati s PHE 598 Cb -0.30 -0.69 0.02 0.00 -1.31 0.00 0.00 43.02 40.74 2ati s PHE 598 CO 0.25 -0.16 0.96 0.08 1.83 0.00 0.00 175.22 178.18 2ati s VAL 599 N 0.60 4.49 0.31 3.12 1.01 -1.26 -5.00 120.40 123.67 2ati s VAL 599 Ca -0.09 1.08 -0.29 0.00 0.00 0.00 0.00 61.98 62.68 2ati s VAL 599 Cb -0.12 -4.41 -0.13 0.00 0.00 0.00 0.00 36.38 31.72 2ati s VAL 599 CO 0.01 -0.69 1.34 -0.81 0.00 0.00 0.00 175.10 174.94 2ati n PRO 600 N 7.05 2.12 -4.05 2.72 -0.04 -1.26 -4.91 135.00 136.63 2ati n PRO 600 Ca 0.08 0.75 -0.12 0.00 -0.04 0.00 0.00 63.50 64.17 2ati n PRO 600 Cb 0.48 -2.36 -0.11 0.00 -0.04 0.00 0.00 33.50 31.47 2ati n PRO 600 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2ati s ARG 601 N -1.36 0.51 -0.30 0.54 0.52 -0.95 -0.95 118.95 116.96 2ati s ARG 601 Ca 0.60 -0.80 0.02 0.00 -0.52 0.00 0.00 55.73 55.03 2ati s ARG 601 Cb -0.59 -0.16 0.08 0.00 0.52 0.00 0.00 34.95 34.80 2ati s ARG 601 CO 0.58 0.01 0.01 0.99 0.02 0.00 0.00 175.30 176.91 2ati s THR 602 N -1.73 1.81 -0.36 0.02 2.01 -0.12 -2.24 115.64 115.04 2ati s THR 602 Ca -0.09 -1.78 -0.20 0.00 0.31 0.00 0.00 61.69 59.93 2ati s THR 602 Cb -0.08 -2.21 0.00 0.00 0.01 0.00 0.00 72.50 70.22 2ati s THR 602 CO -0.01 -0.40 0.64 -0.69 -0.69 0.00 0.00 174.62 173.46 2ati s VAL 603 N 1.19 4.89 -0.25 3.82 1.01 0.04 -1.27 120.40 129.83 2ati s VAL 603 Ca 0.04 0.59 -0.04 0.00 0.00 0.00 0.00 61.98 62.56 2ati s VAL 603 Cb -0.19 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.12 2ati s VAL 603 CO -0.10 -0.31 -0.01 -0.63 0.00 0.00 0.00 175.10 174.05 2ati s ILE 604 N 2.71 3.45 -0.16 2.22 1.01 0.12 -0.34 121.20 130.21 2ati s ILE 604 Ca 0.24 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 60.23 2ati s ILE 604 Cb -0.14 -2.68 0.02 0.00 0.01 0.00 0.00 42.46 39.67 2ati s ILE 604 CO 0.15 0.26 -0.17 -0.63 0.00 0.00 0.00 174.94 174.55 2ati s ILE 605 N 1.45 1.77 0.06 2.92 1.01 -0.52 -0.47 121.20 127.42 2ati s ILE 605 Ca 0.03 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 59.92 2ati s ILE 605 Cb -0.16 -1.63 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 2ati s ILE 605 CO -0.02 0.49 -0.05 -0.83 0.00 0.00 0.00 174.94 174.54 2ati s GLY 606 N 1.33 0.53 0.00 6.18 0.00 -0.41 -2.11 107.32 112.84 2ati s GLY 606 Ca 0.03 -1.10 0.00 0.00 0.00 0.00 0.00 44.72 43.65 2ati s GLY 606 CO -0.10 -1.20 0.00 0.61 0.00 0.00 0.00 173.10 172.41 2ati n GLY 607 N 0.47 3.59 3.91 0.20 0.00 -1.25 -2.00 105.19 110.11 2ati n GLY 607 Ca -0.16 -1.09 -0.33 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.34 3.44 0.01 1.61 1.02 -1.26 -4.68 119.74 117.53 2ati s LYS 608 Ca 0.00 -0.35 0.02 0.00 0.02 0.00 0.00 55.97 55.67 2ati s LYS 608 Cb 0.00 -3.08 -0.04 0.00 -0.52 0.00 0.00 37.83 34.19 2ati s LYS 608 CO 0.00 0.66 -0.03 0.00 -0.92 0.00 0.00 175.35 175.07 2ati s ALA 609 N -1.36 3.18 0.22 5.17 0.00 -1.26 -1.38 121.76 126.32 2ati s ALA 609 Ca 0.29 -0.99 -0.31 0.00 0.00 0.00 0.00 51.96 50.96 2ati s ALA 609 Cb -0.13 -1.25 -0.10 0.00 0.00 0.00 0.00 23.12 21.64 2ati s ALA 609 CO 0.21 0.64 1.49 0.00 0.00 0.00 0.00 175.76 178.10 2ati s ALA 610 N -1.06 3.68 0.48 0.00 0.00 -1.26 -4.89 121.76 118.70 2ati s ALA 610 Ca 0.19 1.35 0.27 0.00 0.00 0.00 0.00 51.96 53.77 2ati s ALA 610 Cb -0.11 -3.58 1.33 0.00 0.00 0.00 0.00 23.12 20.75 2ati s ALA 610 CO 0.10 -0.77 1.82 -1.35 0.00 0.00 0.00 175.76 175.56 2ati h PRO 611 N 5.66 0.18 -0.21 0.00 0.11 -1.98 -1.01 132.00 134.74 2ati h PRO 611 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2ati h PRO 611 Cb 1.21 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2ati h PRO 611 CO 0.83 0.12 0.00 0.41 -0.21 0.00 0.00 178.00 179.15 2ati n GLY 612 N -1.62 0.77 3.41 -0.55 0.00 -1.26 -4.75 105.19 101.18 2ati n GLY 612 Ca 0.23 -0.54 -0.45 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.74 3.21 0.11 1.61 6.14 -0.39 -4.92 117.35 121.38 2ati s TYR 613 Ca 0.34 -1.39 -0.24 0.00 0.64 0.00 0.00 57.07 56.43 2ati s TYR 613 Cb 0.20 -4.13 -0.07 0.00 0.42 0.00 0.00 41.96 38.37 2ati s TYR 613 CO 0.29 -1.36 1.68 1.25 0.64 0.00 0.00 175.55 178.05 2ati h HIS 614 N 8.72 -0.37 -0.75 4.97 -0.00 -1.85 -2.55 115.15 123.31 2ati h HIS 614 Ca 0.03 0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.41 2ati h HIS 614 Cb 1.04 0.16 -0.04 0.00 -0.00 0.00 0.00 27.41 28.58 2ati h HIS 614 CO 1.06 -0.21 0.47 1.98 -0.00 0.00 0.00 177.93 181.23 2ati h MET 615 N -0.24 1.01 -0.33 5.26 1.85 -1.98 -1.49 114.93 119.00 2ati h MET 615 Ca 0.05 -0.08 -0.11 0.00 -0.61 0.00 0.00 59.70 58.95 2ati h MET 615 Cb 0.30 -0.22 -0.01 0.00 0.43 0.00 0.00 31.60 32.10 2ati h MET 615 CO -0.14 0.69 -0.26 0.00 -0.40 0.00 0.00 176.91 176.80 2ati h ALA 616 N 1.49 0.92 0.00 0.39 0.00 -1.86 -1.66 119.26 118.53 2ati h ALA 616 Ca 0.27 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 2ati h ALA 616 Cb -0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2ati h ALA 616 CO -0.05 0.62 -0.30 0.87 0.00 0.00 0.00 179.25 180.38 2ati h LYS 617 N 0.58 0.00 0.03 0.00 1.57 -0.98 -2.44 116.57 115.33 2ati h LYS 617 Ca 0.08 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.63 2ati h LYS 617 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.06 2ati h LYS 617 CO 0.06 0.30 -1.00 0.52 -0.57 0.00 0.00 179.45 178.76 2ati h MET 618 N 0.00 0.34 -0.45 3.15 2.86 -0.78 -2.80 114.93 117.24 2ati h MET 618 Ca -0.00 -0.41 -0.09 0.00 -2.06 0.00 0.00 59.70 57.14 2ati h MET 618 Cb 0.81 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.57 2ati h MET 618 CO 0.04 1.10 -0.10 0.82 1.06 0.00 0.00 176.91 179.83 2ati h ILE 619 N 0.17 1.26 -0.41 -1.22 2.04 -1.03 -1.33 117.51 116.99 2ati h ILE 619 Ca -0.09 -1.17 -0.06 0.00 1.00 0.00 0.00 64.86 64.54 2ati h ILE 619 Cb 1.65 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 38.74 2ati h ILE 619 CO 0.17 0.40 0.01 0.40 0.00 0.00 0.00 178.15 179.13 2ati h ILE 620 N 0.73 1.26 -0.43 -0.67 2.04 -1.46 -1.29 117.51 117.69 2ati h ILE 620 Ca 0.12 -1.00 -0.05 0.00 1.00 0.00 0.00 64.86 64.93 2ati h ILE 620 Cb 0.59 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 2ati h ILE 620 CO 0.04 0.34 0.06 0.50 0.00 0.00 0.00 178.15 179.08 2ati h LYS 621 N 0.55 0.67 -0.37 2.37 1.63 -1.24 -1.55 116.57 118.64 2ati h LYS 621 Ca 0.12 -0.14 -0.09 0.00 -0.85 0.00 0.00 60.65 59.68 2ati h LYS 621 Cb 0.47 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.99 2ati h LYS 621 CO 0.02 0.65 -0.13 1.25 -3.45 0.00 0.00 179.45 177.79 2ati h LEU 622 N 0.65 0.76 -0.52 5.20 6.46 -0.93 -1.18 115.31 125.74 2ati h LEU 622 Ca 0.14 -0.38 -0.06 0.00 -0.12 0.00 0.00 57.88 57.46 2ati h LEU 622 Cb 0.32 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.02 2ati h LEU 622 CO 0.01 0.97 0.09 0.40 -0.62 0.00 0.00 178.44 179.28 2ati h ILE 623 N 0.54 1.25 -0.06 4.05 2.04 -0.88 -0.91 117.51 123.54 2ati h ILE 623 Ca 0.09 -0.94 -0.12 0.00 1.00 0.00 0.00 64.86 64.89 2ati h ILE 623 Cb 0.66 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 2ati h ILE 623 CO 0.04 0.34 -0.53 0.71 0.00 0.00 0.00 178.15 178.72 2ati h THR 624 N 0.75 1.36 -0.07 -0.27 1.35 -1.25 -0.47 112.91 114.31 2ati h THR 624 Ca 0.16 -1.80 -0.19 0.00 -0.55 0.00 0.00 66.41 64.03 2ati h THR 624 Cb 0.40 1.91 -0.00 0.00 -1.73 0.00 0.00 68.15 68.72 2ati h THR 624 CO 0.01 0.53 -0.76 0.28 -0.25 0.00 0.00 175.52 175.33 2ati h SER 625 N 0.12 0.53 -0.27 5.36 0.02 -0.99 -2.24 113.55 116.08 2ati h SER 625 Ca 0.00 -0.36 -0.18 0.00 -0.84 0.00 0.00 61.79 60.42 2ati h SER 625 Cb 0.97 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.35 2ati h SER 625 CO 0.08 1.11 -0.52 0.58 -1.14 0.00 0.00 176.83 176.93 2ati h VAL 626 N 0.29 1.28 -0.80 2.27 2.07 -1.05 -3.10 116.25 117.22 2ati h VAL 626 Ca -0.04 -1.71 0.03 0.00 0.82 0.00 0.00 66.70 65.80 2ati h VAL 626 Cb 1.35 1.68 -0.05 0.00 -1.52 0.00 0.00 31.29 32.75 2ati h VAL 626 CO 0.13 0.55 0.51 0.00 0.02 0.00 0.00 177.57 178.78 2ati h ALA 627 N 0.66 1.05 -0.01 1.67 0.00 -0.99 -1.37 119.26 120.28 2ati h ALA 627 Ca 0.01 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2ati h ALA 627 Cb 1.13 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2ati h ALA 627 CO 0.12 0.31 -0.37 -0.44 0.00 0.00 0.00 179.25 178.87 2ati h ASP 628 N 0.98 0.01 0.23 0.00 3.32 -1.40 -0.96 116.42 118.61 2ati h ASP 628 Ca 0.32 -0.00 -0.33 0.00 0.02 0.00 0.00 57.03 57.04 2ati h ASP 628 Cb 0.03 -0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.61 2ati h ASP 628 CO -0.12 0.38 -1.50 0.58 -1.72 0.00 0.00 179.24 176.87 2ati h VAL 629 N 0.01 1.22 -0.09 -1.35 2.07 -1.36 -3.18 116.25 113.57 2ati h VAL 629 Ca -0.00 -2.64 -0.10 0.00 0.82 0.00 0.00 66.70 64.77 2ati h VAL 629 Cb 0.66 3.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.43 2ati h VAL 629 CO 0.05 0.81 -0.34 0.58 0.02 0.00 0.00 177.57 178.69 2ati h VAL 630 N 0.10 1.40 0.00 2.57 2.07 -1.21 -3.14 116.25 118.04 2ati h VAL 630 Ca -0.27 -1.70 -0.07 0.00 0.82 0.00 0.00 66.70 65.47 2ati h VAL 630 Cb 2.12 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 34.11 2ati h VAL 630 CO 0.25 0.50 -0.36 0.78 0.02 0.00 0.00 177.57 178.76 2ati h ASN 631 N -0.06 0.00 -0.68 0.57 4.21 -1.34 -3.14 115.58 115.15 2ati h ASN 631 Ca -0.02 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.49 2ati h ASN 631 Cb 0.98 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.18 2ati h ASN 631 CO 0.07 0.36 0.00 0.59 -1.29 0.00 0.00 177.43 177.16 2ati n ASN 632 N -3.80 4.04 -4.62 5.81 3.02 -1.20 -4.91 115.26 113.60 2ati n ASN 632 Ca -0.01 -2.11 -0.40 0.00 -0.03 0.00 0.00 54.58 52.03 2ati n ASN 632 Cb 0.43 -0.49 -0.07 0.00 -0.61 0.00 0.00 39.78 39.04 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 -0.99 6.46 0.52 6.41 3.68 -1.18 -4.97 116.67 126.60 2ati s ASP 633 Ca 0.47 0.56 0.30 0.00 2.13 0.00 0.00 52.55 56.01 2ati s ASP 633 Cb 0.26 -2.29 1.37 0.00 -1.45 0.00 0.00 42.92 40.81 2ati s ASP 633 CO 0.30 -0.28 2.00 1.55 0.13 0.00 0.00 175.17 178.86 2ati h PRO 634 N 7.95 0.00 -0.02 4.34 0.13 -1.91 -2.70 132.00 139.79 2ati h PRO 634 Ca -0.29 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.62 2ati h PRO 634 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2ati h PRO 634 CO 0.72 0.10 -0.90 1.98 -0.23 0.00 0.00 178.00 179.67 2ati h MET 635 N 0.00 0.45 0.16 0.86 4.05 -1.96 -3.35 114.93 115.14 2ati h MET 635 Ca -0.00 -0.45 -0.01 0.00 -0.28 0.00 0.00 59.70 58.96 2ati h MET 635 Cb 0.48 0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.40 2ati h MET 635 CO 0.01 1.10 -0.08 0.28 0.23 0.00 0.00 176.91 178.46 2ati h VAL 636 N 0.27 0.00 0.00 -5.77 2.07 -1.88 -3.48 116.25 107.45 2ati h VAL 636 Ca -0.07 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.79 2ati h VAL 636 Cb 1.53 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2ati h VAL 636 CO 0.16 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.36 2ati n GLY 637 N 1.18 3.72 0.00 2.17 0.00 -1.02 -2.69 105.19 108.55 2ati n GLY 637 Ca -0.03 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.07 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 7.59 0.00 0.08 1.61 3.41 -1.26 -3.73 113.62 121.32 2ati n SER 638 Ca 0.00 -1.20 -0.13 0.00 -0.26 0.00 0.00 58.87 57.28 2ati n SER 638 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 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 0.35 -2.36 4.33 1.57 -1.87 -3.44 116.57 115.15 2ati h LYS 639 Ca 0.00 -0.41 -0.05 0.00 -1.87 0.00 0.00 60.65 58.32 2ati h LYS 639 Cb 0.00 0.13 -0.25 0.00 0.08 0.00 0.00 32.23 32.19 2ati h LYS 639 CO 0.00 1.10 -0.28 -1.17 -0.57 0.00 0.00 179.45 178.54 2ati s LEU 640 N -7.57 -0.74 -0.01 2.94 2.96 -1.24 -2.24 118.68 112.78 2ati s LEU 640 Ca -0.05 1.17 0.07 0.00 -0.22 0.00 0.00 54.13 55.10 2ati s LEU 640 Cb 0.09 1.66 -0.02 0.00 0.50 0.00 0.00 46.19 48.42 2ati s LEU 640 CO 0.86 -0.23 -0.22 -0.54 -1.32 0.00 0.00 176.35 174.91 2ati s LYS 641 N 2.50 1.76 -0.08 1.98 -0.14 -0.95 -4.60 119.74 120.22 2ati s LYS 641 Ca -0.04 -0.82 0.04 0.00 -1.36 0.00 0.00 55.97 53.79 2ati s LYS 641 Cb -0.11 -1.73 -0.00 0.00 -1.68 0.00 0.00 37.83 34.31 2ati s LYS 641 CO -0.15 0.47 -0.22 0.08 -0.76 0.00 0.00 175.35 174.78 2ati s VAL 642 N -0.56 1.86 -0.07 3.17 1.01 -1.26 -0.78 120.40 123.76 2ati s VAL 642 Ca 0.09 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.16 2ati s VAL 642 Cb -0.09 -1.60 0.02 0.00 0.00 0.00 0.00 36.38 34.71 2ati s VAL 642 CO -0.00 0.52 -0.08 -0.63 0.00 0.00 0.00 175.10 174.90 2ati s ILE 643 N 0.25 0.88 -0.46 2.22 -1.09 0.53 -4.84 121.20 118.70 2ati s ILE 643 Ca -0.14 -0.29 -0.19 0.00 -2.23 0.00 0.00 60.65 57.81 2ati s ILE 643 Cb -0.16 -0.87 0.04 0.00 -1.58 0.00 0.00 42.46 39.89 2ati s ILE 643 CO 0.06 0.31 0.55 0.12 -1.23 0.00 0.00 174.94 174.76 2ati s PHE 644 N 1.07 3.11 -0.48 3.97 5.36 -1.26 -1.44 117.98 128.31 2ati s PHE 644 Ca -0.08 -0.38 -0.28 0.00 -0.96 0.00 0.00 56.93 55.23 2ati s PHE 644 Cb -0.14 -3.23 0.01 0.00 -0.34 0.00 0.00 43.02 39.32 2ati s PHE 644 CO -0.01 -0.86 1.37 -1.17 -1.46 0.00 0.00 175.22 173.09 2ati s LEU 645 N 2.44 3.52 0.57 6.12 0.20 -0.90 -4.98 118.68 125.67 2ati s LEU 645 Ca 0.15 0.56 -0.17 0.00 0.69 0.00 0.00 54.13 55.37 2ati s LEU 645 Cb -0.17 -3.37 -0.05 0.00 -0.43 0.00 0.00 46.19 42.18 2ati s LEU 645 CO 0.14 -1.51 1.06 -1.61 -0.29 0.00 0.00 176.35 174.14 2ati s GLU 646 N 5.07 3.39 -1.44 1.98 2.02 -1.26 -3.83 118.70 124.63 2ati s GLU 646 Ca 0.56 1.26 -0.07 0.00 0.02 0.00 0.00 54.97 56.73 2ati s GLU 646 Cb -0.11 -2.04 0.05 0.00 0.10 0.00 0.00 34.13 32.12 2ati s GLU 646 CO 0.30 -0.76 0.80 -1.71 0.02 0.00 0.00 175.26 173.92 2ati n ASN 647 N -1.81 -2.81 -4.66 -0.19 5.15 -1.24 -4.91 115.26 104.79 2ati n ASN 647 Ca 0.09 -0.83 -0.42 0.00 -0.60 0.00 0.00 54.58 52.82 2ati n ASN 647 Cb 0.53 -3.82 -0.03 0.00 -0.53 0.00 0.00 39.78 35.93 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 -3.52 1.29 0.35 1.20 5.04 -1.26 -4.87 117.35 115.59 2ati s TYR 648 Ca 0.33 -0.45 -0.03 0.00 -2.44 0.00 0.00 57.07 54.48 2ati s TYR 648 Cb -0.17 -4.24 0.01 0.00 0.35 0.00 0.00 41.96 37.91 2ati s TYR 648 CO 0.83 -5.56 0.51 2.89 -1.34 0.00 0.00 175.55 172.88 2ati n ARG 649 N 7.52 0.73 -0.11 4.97 1.85 -1.26 -4.74 116.66 125.62 2ati n ARG 649 Ca 0.20 -2.77 -0.06 0.00 -1.00 0.00 0.00 57.85 54.22 2ati n ARG 649 Cb 0.41 2.71 0.02 0.00 -1.05 0.00 0.00 32.46 34.55 2ati n ARG 649 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2ati h VAL 650 N 2.01 0.90 -0.50 8.89 2.07 -1.95 -1.06 116.25 126.62 2ati h VAL 650 Ca -0.28 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 2ati h VAL 650 Cb 1.19 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 2ati h VAL 650 CO 0.37 0.05 0.13 0.77 0.02 0.00 0.00 177.57 178.91 2ati h SER 651 N 0.29 0.70 0.66 0.57 4.64 -1.96 -1.91 113.55 116.52 2ati h SER 651 Ca 0.17 -0.11 -0.18 0.00 -0.47 0.00 0.00 61.79 61.19 2ati h SER 651 Cb 0.14 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 2ati h SER 651 CO -0.17 0.69 -0.82 0.25 -0.87 0.00 0.00 176.83 175.91 2ati h LEU 652 N 0.73 0.14 -1.07 5.97 5.85 -1.85 -3.00 115.31 122.08 2ati h LEU 652 Ca 0.16 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 2ati h LEU 652 Cb 0.26 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 2ati h LEU 652 CO -0.00 0.89 0.18 0.00 -0.34 0.00 0.00 178.44 179.17 2ati h ALA 653 N 1.10 1.26 0.00 1.25 0.00 -0.72 -0.56 119.26 121.58 2ati h ALA 653 Ca -0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2ati h ALA 653 Cb 1.42 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2ati h ALA 653 CO 0.12 0.53 -0.08 0.93 0.00 0.00 0.00 179.25 180.74 2ati h GLU 654 N 0.82 0.00 0.05 0.00 5.08 -1.22 -2.17 114.58 117.14 2ati h GLU 654 Ca 0.19 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.20 2ati h GLU 654 Cb 0.23 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 2ati h GLU 654 CO -0.01 0.08 -1.99 1.63 -1.00 0.00 0.00 179.01 177.73 2ati n LYS 655 N -3.41 0.66 -0.03 2.33 5.02 -0.57 -4.47 118.16 117.68 2ati n LYS 655 Ca -0.01 0.32 -0.16 0.00 -2.02 0.00 0.00 58.31 56.44 2ati n LYS 655 Cb 0.24 -1.65 -0.08 0.00 -0.02 0.00 0.00 35.03 33.52 2ati n LYS 655 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 2ati h VAL 656 N -0.39 1.35 -0.40 -0.18 3.04 -1.12 -3.34 116.25 115.21 2ati h VAL 656 Ca -0.48 -1.81 0.06 0.00 -1.01 0.00 0.00 66.70 63.46 2ati h VAL 656 Cb 1.75 2.11 -0.05 0.00 -2.01 0.00 0.00 31.29 33.09 2ati h VAL 656 CO -0.10 0.55 0.10 0.40 -1.01 0.00 0.00 177.57 177.50 2ati h ILE 657 N 0.20 0.82 0.00 3.17 2.04 -1.64 -1.90 117.51 120.20 2ati h ILE 657 Ca -0.03 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.75 2ati h ILE 657 Cb 1.15 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 2ati h ILE 657 CO 0.11 0.04 0.00 -0.65 0.00 0.00 0.00 178.15 177.65 2ati h PRO 658 N 0.23 0.00 -0.13 2.37 0.11 -1.78 -2.45 132.00 130.36 2ati h PRO 658 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 2ati h PRO 658 Cb 0.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.32 2ati h PRO 658 CO -0.23 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.56 2ati n ALA 659 N -1.90 2.51 -2.39 -0.75 0.00 -0.74 -4.74 120.51 112.51 2ati n ALA 659 Ca 0.01 -0.59 -0.38 0.00 0.00 0.00 0.00 53.44 52.48 2ati n ALA 659 Cb 0.24 -1.04 -0.06 0.00 0.00 0.00 0.00 19.45 18.60 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 -1.85 4.87 -0.26 0.00 2.01 -0.92 -4.63 115.64 114.86 2ati s THR 660 Ca 0.34 1.05 -0.08 0.00 0.31 0.00 0.00 61.69 63.32 2ati s THR 660 Cb 0.20 -3.82 -0.13 0.00 0.01 0.00 0.00 72.50 68.76 2ati s THR 660 CO 0.30 0.56 -0.30 0.47 -0.69 0.00 0.00 174.62 174.96 2ati n ASP 661 N 1.84 1.95 -4.18 3.53 8.00 -0.70 -4.08 116.55 122.91 2ati n ASP 661 Ca -0.12 0.16 -0.32 0.00 0.71 0.00 0.00 54.79 55.22 2ati n ASP 661 Cb 0.51 -0.65 -0.17 0.00 -0.02 0.00 0.00 41.12 40.80 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 -7.09 2.09 -0.23 0.64 2.96 0.11 -0.77 118.68 116.38 2ati s LEU 662 Ca -0.36 -0.58 -0.09 0.00 -0.22 0.00 0.00 54.13 52.88 2ati s LEU 662 Cb 0.12 -1.42 -0.04 0.00 0.50 0.00 0.00 46.19 45.35 2ati s LEU 662 CO 0.51 0.10 0.11 -0.55 -1.32 0.00 0.00 176.35 175.20 2ati s SER 663 N 0.69 5.67 -0.38 3.68 0.15 0.90 -0.89 113.70 123.51 2ati s SER 663 Ca -0.10 -0.02 -0.17 0.00 0.70 0.00 0.00 55.95 56.36 2ati s SER 663 Cb -0.16 -2.01 0.01 0.00 -1.71 0.00 0.00 66.02 62.14 2ati s SER 663 CO 0.01 0.04 0.44 -1.61 1.20 0.00 0.00 173.24 173.32 2ati s GLU 664 N 1.16 3.35 -0.50 5.44 0.41 -0.66 -0.73 118.70 127.18 2ati s GLU 664 Ca 0.06 -0.52 0.07 0.00 -0.41 0.00 0.00 54.97 54.17 2ati s GLU 664 Cb -0.14 -3.88 0.26 0.00 -1.78 0.00 0.00 34.13 28.58 2ati s GLU 664 CO 0.04 -0.72 0.64 1.04 -0.49 0.00 0.00 175.26 175.78 2ati n GLN 665 N 5.59 1.57 -1.23 1.61 1.13 -0.30 -4.75 117.38 121.01 2ati n GLN 665 Ca -0.07 -3.89 -0.24 0.00 -1.94 0.00 0.00 57.00 50.85 2ati n GLN 665 Cb 0.48 -1.70 0.17 0.00 0.11 0.00 0.00 30.24 29.30 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 1.07 3.23 -1.50 5.09 -5.35 -1.26 -2.87 119.36 117.76 2ati n ILE 666 Ca 0.25 -2.09 -0.33 0.00 -0.27 0.00 0.00 62.75 60.31 2ati n ILE 666 Cb 0.48 -0.55 0.08 0.00 -1.74 0.00 0.00 39.64 37.91 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 -1.43 4.52 0.28 7.28 1.04 -1.25 -4.61 113.70 119.54 2ati s SER 667 Ca 0.57 2.14 -0.29 0.00 0.48 0.00 0.00 55.95 58.85 2ati s SER 667 Cb 0.48 -2.56 -0.10 0.00 0.10 0.00 0.00 66.02 63.94 2ati s SER 667 CO 0.09 -2.03 1.26 -0.89 0.98 0.00 0.00 173.24 172.65 2ati s THR 668 N -2.28 3.03 -0.12 2.02 2.01 -1.10 -4.61 115.64 114.58 2ati s THR 668 Ca 0.69 0.97 -0.35 0.00 0.31 0.00 0.00 61.69 63.32 2ati s THR 668 Cb -0.24 -3.62 -0.12 0.00 0.01 0.00 0.00 72.50 68.53 2ati s THR 668 CO 0.45 0.21 1.89 0.00 -0.69 0.00 0.00 174.62 176.48 2ati n ALA 669 N 1.42 0.78 -0.04 7.40 0.00 -1.26 -1.67 120.51 127.14 2ati n ALA 669 Ca 0.02 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.73 2ati n ALA 669 Cb 0.43 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.40 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 4.48 0.55 0.11 0.00 0.00 -1.26 -4.71 105.19 104.35 2ati n GLY 670 Ca 0.24 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.00 1.28 -3.05 2.61 -2.24 -0.67 -4.88 114.28 105.34 2ati n THR 671 Ca 0.00 -0.59 -0.43 0.00 -2.27 0.00 0.00 64.05 60.77 2ati n THR 671 Cb 0.00 -1.05 -0.06 0.00 -2.10 0.00 0.00 70.33 67.12 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 -2.45 3.50 0.22 -0.78 2.56 -1.26 -4.76 118.70 115.73 2ati s GLU 672 Ca -0.24 -0.08 -0.09 0.00 0.00 0.00 0.00 54.97 54.57 2ati s GLU 672 Cb 0.07 -3.89 0.33 0.00 2.00 0.00 0.00 34.13 32.65 2ati s GLU 672 CO 0.60 -0.94 1.71 0.00 -0.56 0.00 0.00 175.26 176.06 2ati h ALA 673 N 8.73 0.79 0.00 6.30 0.00 -1.90 -2.86 119.26 130.33 2ati h ALA 673 Ca -0.25 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2ati h ALA 673 Cb 1.10 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2ati h ALA 673 CO 0.90 -0.29 0.00 0.45 0.00 0.00 0.00 179.25 180.31 2ati n SER 674 N -5.10 -1.20 0.00 0.00 2.88 -1.26 -4.14 113.62 104.79 2ati n SER 674 Ca 0.10 0.38 0.00 0.00 -1.33 0.00 0.00 58.87 58.02 2ati n SER 674 Cb 0.35 1.29 0.00 0.00 -0.75 0.00 0.00 64.21 65.10 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 0.03 -0.17 0.00 0.46 0.00 -1.26 -0.77 105.19 103.48 2ati n GLY 675 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.56 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 0.51 0.00 -0.36 2.61 -2.24 -1.26 -4.71 114.28 108.83 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 0.13 0.12 0.00 -2.10 0.00 0.00 70.33 68.49 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 1.37 0.52 3.38 0.00 -1.94 -2.26 103.07 104.14 2ati h GLY 677 Ca 0.00 -0.52 0.10 0.00 0.00 0.00 0.00 47.33 46.91 2ati h GLY 677 CO 0.00 0.51 0.53 3.45 0.00 0.00 0.00 176.54 181.03 2ati h ASN 678 N 1.32 0.78 0.09 0.19 7.08 -1.94 -1.71 115.58 121.40 2ati h ASN 678 Ca 0.35 0.05 -0.15 0.00 -3.08 0.00 0.00 56.30 53.47 2ati h ASN 678 Cb -0.14 -0.11 -0.01 0.00 -2.08 0.00 0.00 38.32 35.98 2ati h ASN 678 CO -0.08 0.44 -0.53 0.24 -2.08 0.00 0.00 177.43 175.42 2ati h MET 679 N 0.88 0.48 -0.21 4.14 2.86 -1.72 -2.47 114.93 118.89 2ati h MET 679 Ca 0.43 -0.29 -0.02 0.00 -2.06 0.00 0.00 59.70 57.76 2ati h MET 679 Cb 0.39 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 2ati h MET 679 CO -0.25 0.89 0.07 0.87 1.06 0.00 0.00 176.91 179.55 2ati h LYS 680 N 0.37 0.33 -0.63 1.72 1.57 -0.96 -2.11 116.57 116.86 2ati h LYS 680 Ca 0.01 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 2ati h LYS 680 Cb 1.05 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.29 2ati h LYS 680 CO 0.10 0.41 0.17 0.74 -0.57 0.00 0.00 179.45 180.30 2ati h PHE 681 N 0.18 1.00 -0.58 -1.35 0.04 -1.38 -2.09 116.94 112.76 2ati h PHE 681 Ca 0.07 -0.10 -0.09 0.00 2.80 0.00 0.00 57.97 60.65 2ati h PHE 681 Cb 0.22 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 38.05 2ati h PHE 681 CO -0.00 0.82 0.00 1.98 -0.60 0.00 0.00 178.31 180.51 2ati h MET 682 N 0.93 1.00 0.00 1.51 4.05 -1.35 -1.95 114.93 119.12 2ati h MET 682 Ca 0.20 -0.30 -0.11 0.00 -0.28 0.00 0.00 59.70 59.21 2ati h MET 682 Cb 0.31 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 30.99 2ati h MET 682 CO -0.00 0.98 -0.54 1.25 0.23 0.00 0.00 176.91 178.83 2ati h LEU 683 N 0.92 0.00 -2.26 3.39 6.46 -1.14 -3.28 115.31 119.39 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 0.53 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.46 2ati h LEU 683 CO 0.03 0.54 0.00 0.59 -0.62 0.00 0.00 178.44 178.98 2ati n ASN 684 N -3.59 3.40 0.00 1.25 3.02 -0.81 -4.91 115.26 113.61 2ati n ASN 684 Ca -0.00 -2.30 0.00 0.00 -0.03 0.00 0.00 54.58 52.24 2ati n ASN 684 Cb 0.61 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 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 0.87 0.63 3.77 7.41 0.00 -1.17 -4.76 105.19 111.95 2ati n GLY 685 Ca 0.18 -0.72 -0.25 0.00 0.00 0.00 0.00 46.02 45.23 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 3.48 0.12 4.61 0.00 -0.76 -4.83 121.76 122.38 2ati s ALA 686 Ca 0.00 -1.33 -0.02 0.00 0.00 0.00 0.00 51.96 50.61 2ati s ALA 686 Cb 0.00 -1.24 -0.05 0.00 0.00 0.00 0.00 23.12 21.83 2ati s ALA 686 CO 0.00 0.41 0.31 -0.51 0.00 0.00 0.00 175.76 175.97 2ati s LEU 687 N -3.33 4.30 -0.17 0.00 1.43 0.05 -4.44 118.68 116.53 2ati s LEU 687 Ca 0.31 0.41 -0.04 0.00 -1.03 0.00 0.00 54.13 53.78 2ati s LEU 687 Cb -0.09 -3.13 -0.03 0.00 0.03 0.00 0.00 46.19 42.97 2ati s LEU 687 CO 0.23 0.08 -0.03 -0.89 0.23 0.00 0.00 176.35 175.97 2ati s THR 688 N -1.64 3.93 -0.21 5.49 2.01 -1.26 -0.07 115.64 123.89 2ati s THR 688 Ca 0.38 -0.34 -0.04 0.00 0.31 0.00 0.00 61.69 62.00 2ati s THR 688 Cb -0.12 -2.74 -0.01 0.00 0.01 0.00 0.00 72.50 69.64 2ati s THR 688 CO 0.27 0.48 -0.03 -0.51 -0.69 0.00 0.00 174.62 174.14 2ati s ILE 689 N 0.50 3.52 0.09 1.82 2.07 0.09 -0.37 121.20 128.92 2ati s ILE 689 Ca -0.03 -0.45 -0.26 0.00 -1.41 0.00 0.00 60.65 58.50 2ati s ILE 689 Cb -0.14 -2.60 0.09 0.00 0.13 0.00 0.00 42.46 39.94 2ati s ILE 689 CO 0.03 0.42 1.11 -0.83 -1.91 0.00 0.00 174.94 173.76 2ati s GLY 690 N 1.35 -0.22 0.68 1.50 0.00 -0.79 -1.15 107.32 108.70 2ati s GLY 690 Ca 0.04 0.22 -0.04 0.00 0.00 0.00 0.00 44.72 44.94 2ati s GLY 690 CO -0.01 0.90 0.97 -0.51 0.00 0.00 0.00 173.10 174.44 2ati s THR 691 N -2.70 2.34 -1.34 0.90 -4.23 -1.14 -2.13 115.64 107.35 2ati s THR 691 Ca 0.16 -0.39 -0.13 0.00 -1.18 0.00 0.00 61.69 60.15 2ati s THR 691 Cb 0.01 -2.95 0.11 0.00 1.34 0.00 0.00 72.50 71.01 2ati s THR 691 CO 0.01 0.00 1.92 0.80 -0.54 0.00 0.00 174.62 176.81 2ati n MET 692 N -2.81 3.28 -4.16 3.99 1.56 -1.26 -4.70 117.12 113.02 2ati n MET 692 Ca 0.09 -3.22 -0.17 0.00 -0.27 0.00 0.00 57.70 54.13 2ati n MET 692 Cb 0.60 -3.13 -0.12 0.00 2.15 0.00 0.00 33.22 32.72 2ati n MET 692 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 2ati s ASP 693 N 2.31 1.38 1.08 6.12 3.68 -1.26 -4.65 116.67 125.33 2ati s ASP 693 Ca 0.44 -0.56 0.00 0.00 2.13 0.00 0.00 52.55 54.56 2ati s ASP 693 Cb 0.09 -0.03 0.00 0.00 -1.45 0.00 0.00 42.92 41.53 2ati s ASP 693 CO -0.02 -0.10 0.00 0.61 0.13 0.00 0.00 175.17 175.79 2ati n GLY 694 N 1.47 3.05 0.00 2.66 0.00 -1.08 -1.64 105.19 109.65 2ati n GLY 694 Ca -0.21 -0.09 0.14 0.00 0.00 0.00 0.00 46.02 45.86 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 9.55 2.39 0.08 4.61 0.00 0.05 -3.24 120.51 133.94 2ati n ALA 695 Ca 0.00 -0.12 0.03 0.00 0.00 0.00 0.00 53.44 53.35 2ati n ALA 695 Cb 0.00 -1.47 0.42 0.00 0.00 0.00 0.00 19.45 18.40 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 0.32 -0.30 0.00 2.35 -1.51 -0.40 115.58 116.03 2ati h ASN 696 Ca 0.00 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 2ati h ASN 696 Cb 0.36 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 2ati h ASN 696 CO 0.00 0.35 0.15 0.58 -1.65 0.00 0.00 177.43 176.86 2ati h VAL 697 N 0.35 1.14 -0.02 2.81 2.07 -1.64 -1.05 116.25 119.91 2ati h VAL 697 Ca 0.08 -0.40 -0.13 0.00 0.82 0.00 0.00 66.70 67.08 2ati h VAL 697 Cb 0.17 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 2ati h VAL 697 CO -0.00 0.15 -0.58 -0.33 0.02 0.00 0.00 177.57 176.83 2ati h GLU 698 N 0.36 0.07 -0.39 1.57 5.08 -1.59 -1.51 114.58 118.17 2ati h GLU 698 Ca 0.10 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.31 2ati h GLU 698 Cb 0.10 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2ati h GLU 698 CO -0.01 0.63 -0.19 0.52 -1.00 0.00 0.00 179.01 178.96 2ati h MET 699 N 0.06 0.74 -0.15 2.33 2.86 -0.81 -1.35 114.93 118.60 2ati h MET 699 Ca -0.00 -0.28 -0.13 0.00 -2.06 0.00 0.00 59.70 57.22 2ati h MET 699 Cb 1.04 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.64 2ati h MET 699 CO 0.08 0.87 -0.48 0.00 1.06 0.00 0.00 176.91 178.44 2ati h ALA 700 N 1.14 0.89 -0.33 6.32 0.00 -0.88 -1.78 119.26 124.62 2ati h ALA 700 Ca 0.10 -0.47 -0.14 0.00 0.00 0.00 0.00 54.91 54.40 2ati h ALA 700 Cb 0.68 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2ati h ALA 700 CO 0.05 0.66 -0.33 0.93 0.00 0.00 0.00 179.25 180.56 2ati h GLU 701 N 0.31 0.80 -0.13 0.00 5.08 -0.83 -0.36 114.58 119.46 2ati h GLU 701 Ca 0.02 -0.42 -0.11 0.00 -1.00 0.00 0.00 59.36 57.84 2ati h GLU 701 Cb 0.97 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.23 2ati h GLU 701 CO 0.08 1.06 -0.35 0.93 -1.00 0.00 0.00 179.01 179.73 2ati h GLU 702 N 0.58 0.48 0.00 2.33 4.39 -1.18 -3.33 114.58 117.85 2ati h GLU 702 Ca 0.05 -0.33 -0.02 0.00 0.34 0.00 0.00 59.36 59.40 2ati h GLU 702 Cb 0.91 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.61 2ati h GLU 702 CO 0.08 0.95 -1.00 0.00 -1.16 0.00 0.00 179.01 177.88 2ati h ALA 703 N 0.53 0.55 0.00 3.43 0.00 -1.42 -3.46 119.26 118.88 2ati h ALA 703 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2ati h ALA 703 Cb 0.97 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2ati h ALA 703 CO 0.08 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.86 2ati n GLY 704 N 1.20 1.92 0.41 0.00 0.00 -0.23 -4.66 105.19 103.83 2ati n GLY 704 Ca -0.01 -1.28 0.24 0.00 0.00 0.00 0.00 46.02 44.97 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 0.36 0.00 1.61 4.81 -1.64 0.32 114.58 120.04 2ati h GLU 705 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2ati h GLU 705 Cb 0.00 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.30 2ati h GLU 705 CO 0.00 0.24 0.00 1.05 -0.73 0.00 0.00 179.01 179.57 2ati h GLU 706 N 0.37 0.00 -0.15 1.92 9.09 -1.90 -2.76 114.58 121.14 2ati h GLU 706 Ca 0.63 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.04 2ati h GLU 706 Cb 1.62 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.72 2ati h GLU 706 CO -0.33 0.00 0.00 0.09 0.05 0.00 0.00 179.01 178.82 2ati n ASN 707 N -2.36 2.18 -4.31 3.06 3.02 0.10 -4.86 115.26 112.10 2ati n ASN 707 Ca 0.01 -1.76 -0.18 0.00 -0.03 0.00 0.00 54.58 52.63 2ati n ASN 707 Cb 0.20 -0.09 -0.10 0.00 -0.61 0.00 0.00 39.78 39.18 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 -1.72 2.52 -1.08 3.41 1.02 -1.04 -4.79 118.68 117.00 2ati s LEU 708 Ca 0.34 -0.98 -0.07 0.00 0.02 0.00 0.00 54.13 53.44 2ati s LEU 708 Cb 0.20 -0.59 0.28 0.00 0.02 0.00 0.00 46.19 46.10 2ati s LEU 708 CO 0.30 -0.20 1.13 0.49 0.02 0.00 0.00 176.35 178.09 2ati n PHE 709 N -0.17 4.65 -2.86 0.29 3.01 0.50 -4.98 117.46 117.91 2ati n PHE 709 Ca -0.10 -3.74 -0.40 0.00 1.01 0.00 0.00 57.45 54.22 2ati n PHE 709 Cb 0.60 -1.55 -0.05 0.00 -0.01 0.00 0.00 39.48 38.47 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 -1.57 4.60 0.35 4.37 -1.09 -1.26 -1.88 121.20 124.72 2ati s ILE 710 Ca 0.31 1.85 0.01 0.00 -2.23 0.00 0.00 60.65 60.59 2ati s ILE 710 Cb -0.07 -4.22 -0.01 0.00 -1.58 0.00 0.00 42.46 36.59 2ati s ILE 710 CO -0.06 0.35 0.43 0.72 -1.23 0.00 0.00 174.94 175.15 2ati s PHE 711 N -0.09 1.30 0.00 3.97 -0.12 -0.91 -4.97 117.98 117.16 2ati s PHE 711 Ca 0.42 -1.43 0.00 0.00 -0.05 0.00 0.00 56.93 55.88 2ati s PHE 711 Cb -0.22 -0.27 0.00 0.00 -0.63 0.00 0.00 43.02 41.90 2ati s PHE 711 CO 0.26 -1.08 0.00 0.41 -0.05 0.00 0.00 175.22 174.77 2ati n GLY 712 N -0.60 -1.08 3.77 1.99 0.00 -1.26 -4.34 105.19 103.67 2ati n GLY 712 Ca 0.03 -1.09 -0.41 0.00 0.00 0.00 0.00 46.02 44.55 2ati n GLY 712 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2ati s MET 713 N 0.00 4.39 0.50 1.61 -1.94 -1.26 -4.94 119.30 117.65 2ati s MET 713 Ca 0.00 2.17 0.09 0.00 -1.71 0.00 0.00 55.69 56.23 2ati s MET 713 Cb 0.00 -3.09 0.05 0.00 2.01 0.00 0.00 34.83 33.80 2ati s MET 713 CO 0.00 -0.15 0.67 1.03 -0.01 0.00 0.00 175.02 176.55 2ati s ARG 714 N -1.64 2.56 0.37 2.03 0.52 -1.26 -4.47 118.95 117.06 2ati s ARG 714 Ca 0.49 -1.46 0.17 0.00 -0.52 0.00 0.00 55.73 54.40 2ati s ARG 714 Cb -0.39 -2.68 1.08 0.00 0.52 0.00 0.00 34.95 33.48 2ati s ARG 714 CO 0.51 -0.56 1.72 0.97 0.02 0.00 0.00 175.30 177.96 2ati h ILE 715 N 0.44 0.44 0.01 1.52 6.09 -1.84 -1.21 117.51 122.95 2ati h ILE 715 Ca -0.35 -0.14 -0.22 0.00 -1.37 0.00 0.00 64.86 62.78 2ati h ILE 715 Cb 1.28 0.01 -0.00 0.00 0.47 0.00 0.00 36.82 38.58 2ati h ILE 715 CO 0.44 0.07 -0.93 0.44 -3.07 0.00 0.00 178.15 175.10 2ati h ASP 716 N 0.40 0.44 1.18 2.19 3.32 -1.95 -2.96 116.42 119.03 2ati h ASP 716 Ca 0.66 -0.36 -0.04 0.00 0.02 0.00 0.00 57.03 57.31 2ati h ASP 716 Cb 1.59 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 41.00 2ati h ASP 716 CO -0.42 1.16 -0.20 0.44 -1.72 0.00 0.00 179.24 178.50 2ati h ASP 717 N 0.19 0.00 0.40 6.45 3.32 -1.62 -0.55 116.42 124.61 2ati h ASP 717 Ca -0.07 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.66 2ati h ASP 717 Cb 1.57 0.00 0.02 0.00 0.22 0.00 0.00 39.33 41.14 2ati h ASP 717 CO 0.15 0.20 -1.43 0.58 -1.72 0.00 0.00 179.24 177.02 2ati h VAL 718 N 0.00 1.31 0.00 -1.35 2.07 -1.45 -3.08 116.25 113.75 2ati h VAL 718 Ca -0.00 -2.82 -0.09 0.00 0.82 0.00 0.00 66.70 64.61 2ati h VAL 718 Cb 0.85 2.96 -0.01 0.00 -1.52 0.00 0.00 31.29 33.57 2ati h VAL 718 CO 0.03 0.84 -0.42 0.00 0.02 0.00 0.00 177.57 178.04 2ati h ALA 719 N 0.33 0.91 0.00 1.67 0.00 -1.34 -2.57 119.26 118.25 2ati h ALA 719 Ca -0.22 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.30 2ati h ALA 719 Cb 2.09 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.81 2ati h ALA 719 CO 0.23 0.53 -0.08 0.00 0.00 0.00 0.00 179.25 179.93 2ati h ALA 720 N 1.58 0.96 0.00 0.00 0.00 -1.17 -3.14 119.26 117.48 2ati h ALA 720 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2ati h ALA 720 Cb 1.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2ati h ALA 720 CO 0.06 0.01 -1.07 -0.11 0.00 0.00 0.00 179.25 178.14 2ati n LEU 721 N -3.07 0.80 0.09 0.00 7.94 -1.11 -3.50 117.00 118.15 2ati n LEU 721 Ca 0.04 0.31 -0.15 0.00 -1.11 0.00 0.00 56.01 55.09 2ati n LEU 721 Cb 0.54 -0.06 -0.09 0.00 0.53 0.00 0.00 43.42 44.34 2ati n LEU 721 CO 0.35 -0.18 0.07 0.44 -1.11 0.00 0.00 177.39 176.96 2ati h ASP 722 N 0.00 0.53 0.26 1.96 3.32 -1.45 -1.12 116.42 119.92 2ati h ASP 722 Ca 0.00 -0.48 -0.19 0.00 0.02 0.00 0.00 57.03 56.38 2ati h ASP 722 Cb 1.00 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.38 2ati h ASP 722 CO 0.00 1.32 -0.75 0.50 -1.72 0.00 0.00 179.24 178.58 2ati h LYS 723 N 0.18 0.41 0.08 3.56 3.64 -1.69 -3.20 116.57 119.55 2ati h LYS 723 Ca -0.11 -0.35 -0.25 0.00 -1.27 0.00 0.00 60.65 58.67 2ati h LYS 723 Cb 1.76 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.65 2ati h LYS 723 CO 0.19 0.99 -1.13 -0.22 -2.27 0.00 0.00 179.45 177.01 2ati h LYS 724 N 0.28 0.20 -0.01 1.90 3.64 -1.62 -3.50 116.57 117.46 2ati h LYS 724 Ca -0.04 -0.32 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 2ati h LYS 724 Cb 1.34 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.27 2ati h LYS 724 CO 0.13 1.13 0.00 0.41 -2.27 0.00 0.00 179.45 178.85 2ati n GLY 725 N 1.39 1.37 3.63 5.01 0.00 -0.43 -5.00 105.19 111.15 2ati n GLY 725 Ca -0.06 -1.23 -0.43 0.00 0.00 0.00 0.00 46.02 44.30 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 2.74 -0.37 1.61 5.04 -1.19 -4.92 117.35 120.27 2ati s TYR 726 Ca 0.00 0.91 -0.00 0.00 -2.44 0.00 0.00 57.07 55.54 2ati s TYR 726 Cb 0.00 -3.84 0.10 0.00 0.35 0.00 0.00 41.96 38.57 2ati s TYR 726 CO 0.00 -1.64 0.12 -2.00 -1.34 0.00 0.00 175.55 170.68 2ati s GLU 727 N 4.04 1.89 0.31 4.97 2.12 -1.26 -4.99 118.70 125.78 2ati s GLU 727 Ca 0.55 -1.75 0.12 0.00 0.36 0.00 0.00 54.97 54.25 2ati s GLU 727 Cb -0.17 -3.39 0.49 0.00 0.26 0.00 0.00 34.13 31.33 2ati s GLU 727 CO 0.21 -0.95 1.69 0.00 -0.54 0.00 0.00 175.26 175.67 2ati h ALA 728 N 7.89 1.11 0.00 6.30 0.00 -1.87 -3.25 119.26 129.43 2ati h ALA 728 Ca -0.11 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2ati h ALA 728 Cb 1.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2ati h ALA 728 CO 0.61 0.66 0.00 1.57 0.00 0.00 0.00 179.25 182.09 2ati h LYS 729 N 0.00 0.00 -0.37 0.00 2.10 -1.91 -3.00 116.57 113.39 2ati h LYS 729 Ca -0.01 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.54 2ati h LYS 729 Cb 0.94 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.26 2ati h LYS 729 CO 0.07 0.00 -0.16 0.93 -2.00 0.00 0.00 179.45 178.28 2ati h GLU 730 N 0.00 0.76 -0.02 0.07 5.08 -1.99 -2.09 114.58 116.40 2ati h GLU 730 Ca 0.00 -0.33 -0.14 0.00 -1.00 0.00 0.00 59.36 57.89 2ati h GLU 730 Cb 0.28 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2ati h GLU 730 CO 0.00 0.94 -0.65 1.88 -1.00 0.00 0.00 179.01 180.19 2ati h TYR 731 N 0.56 0.12 -0.31 4.33 -1.99 -1.74 -1.22 116.97 116.71 2ati h TYR 731 Ca 0.08 -0.05 -0.11 0.00 2.00 0.00 0.00 58.73 60.66 2ati h TYR 731 Cb 0.71 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.41 2ati h TYR 731 CO 0.06 0.71 -0.22 -0.92 -0.00 0.00 0.00 178.16 177.78 2ati h TYR 732 N 0.06 0.82 0.00 4.88 3.20 -1.56 -2.05 116.97 122.33 2ati h TYR 732 Ca -0.01 -0.23 -0.01 0.00 3.14 0.00 0.00 58.73 61.63 2ati h TYR 732 Cb 1.15 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 39.24 2ati h TYR 732 CO 0.01 0.95 -0.34 0.93 -1.64 0.00 0.00 178.16 178.08 2ati h GLU 733 N 0.45 0.00 0.11 1.82 5.08 -1.33 -3.36 114.58 117.35 2ati h GLU 733 Ca 0.06 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.07 2ati h GLU 733 Cb 0.78 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 2ati h GLU 733 CO 0.06 0.02 -1.91 0.00 -1.00 0.00 0.00 179.01 176.18 2ati h ALA 734 N 1.97 0.48 -2.74 3.43 0.00 -1.25 -3.45 119.26 117.71 2ati h ALA 734 Ca -0.00 -1.38 -0.71 0.00 0.00 0.00 0.00 54.91 52.82 2ati h ALA 734 Cb 1.02 0.64 -0.24 0.00 0.00 0.00 0.00 17.79 19.21 2ati h ALA 734 CO 0.00 1.34 -0.50 -0.51 0.00 0.00 0.00 179.25 179.59 2ati s LEU 735 N -6.87 4.78 0.50 0.00 1.43 -0.77 -4.98 118.68 112.77 2ati s LEU 735 Ca -0.18 -0.95 0.24 0.00 -1.03 0.00 0.00 54.13 52.21 2ati s LEU 735 Cb 0.07 -2.05 1.35 0.00 0.03 0.00 0.00 46.19 45.58 2ati s LEU 735 CO 0.79 -0.39 2.05 1.55 0.23 0.00 0.00 176.35 180.58 2ati h PRO 736 N 8.47 0.00 -0.34 1.29 0.13 -1.87 -2.89 132.00 136.79 2ati h PRO 736 Ca -0.26 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.77 2ati h PRO 736 Cb 1.11 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 2ati h PRO 736 CO 0.68 0.14 -0.19 0.93 -0.23 0.00 0.00 178.00 179.33 2ati h GLU 737 N 0.00 0.63 0.01 0.86 4.39 -1.93 -2.87 114.58 115.68 2ati h GLU 737 Ca -0.00 -0.23 -0.21 0.00 0.34 0.00 0.00 59.36 59.27 2ati h GLU 737 Cb 0.33 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 2ati h GLU 737 CO 0.02 0.78 -0.98 1.25 -1.16 0.00 0.00 179.01 178.92 2ati h LEU 738 N 0.56 0.06 -0.48 1.33 5.85 -1.84 -3.27 115.31 117.53 2ati h LEU 738 Ca 0.09 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 2ati h LEU 738 Cb 0.64 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 2ati h LEU 738 CO 0.04 1.00 0.16 0.50 -0.34 0.00 0.00 178.44 179.80 2ati h LYS 739 N 0.01 0.74 -0.36 1.25 3.64 -1.35 -1.83 116.57 118.68 2ati h LYS 739 Ca -0.02 -0.15 -0.10 0.00 -1.27 0.00 0.00 60.65 59.10 2ati h LYS 739 Cb 1.70 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 33.40 2ati h LYS 739 CO 0.13 0.69 -0.20 1.25 -2.27 0.00 0.00 179.45 179.05 2ati h LEU 740 N 0.64 0.69 0.08 5.20 5.85 -1.62 -1.24 115.31 124.92 2ati h LEU 740 Ca 0.16 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 2ati h LEU 740 Cb 0.25 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.10 2ati h LEU 740 CO -0.01 0.89 -0.04 0.58 -0.34 0.00 0.00 178.44 179.52 2ati h VAL 741 N 0.61 1.08 -0.26 1.05 2.07 -1.56 -2.03 116.25 117.20 2ati h VAL 741 Ca 0.09 -0.59 -0.10 0.00 0.82 0.00 0.00 66.70 66.92 2ati h VAL 741 Cb 0.67 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 2ati h VAL 741 CO 0.05 0.15 -0.26 0.40 0.02 0.00 0.00 177.57 177.93 2ati h ILE 742 N -0.38 1.27 -0.38 4.57 1.08 -1.29 -2.67 117.51 119.70 2ati h ILE 742 Ca -0.01 -1.29 -0.14 0.00 -0.39 0.00 0.00 64.86 63.03 2ati h ILE 742 Cb 0.32 1.35 -0.01 0.00 -3.07 0.00 0.00 36.82 35.41 2ati h ILE 742 CO 0.02 0.41 -0.31 0.44 -0.69 0.00 0.00 178.15 178.02 2ati h ASP 743 N 0.45 0.89 -0.15 1.72 3.32 -1.21 -0.92 116.42 120.51 2ati h ASP 743 Ca 0.06 -0.37 -0.06 0.00 0.02 0.00 0.00 57.03 56.69 2ati h ASP 743 Cb 0.68 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 2ati h ASP 743 CO 0.05 1.12 -0.08 1.56 -1.72 0.00 0.00 179.24 180.17 2ati h GLN 744 N 0.71 0.48 0.04 3.56 4.20 -1.17 0.21 115.11 123.15 2ati h GLN 744 Ca 0.08 -0.12 -0.25 0.00 0.06 0.00 0.00 58.65 58.42 2ati h GLN 744 Cb 0.87 -0.06 0.01 0.00 0.30 0.00 0.00 27.48 28.59 2ati h GLN 744 CO 0.08 0.57 -1.05 0.82 -0.67 0.00 0.00 178.83 178.58 2ati h ILE 745 N 0.45 1.39 0.14 2.54 2.04 -1.30 -0.98 117.51 121.79 2ati h ILE 745 Ca 0.09 -2.55 -0.30 0.00 1.00 0.00 0.00 64.86 63.11 2ati h ILE 745 Cb 0.42 2.55 0.02 0.00 -0.74 0.00 0.00 36.82 39.07 2ati h ILE 745 CO 0.02 0.76 -1.27 -0.78 0.00 0.00 0.00 178.15 176.89 2ati h ASP 746 N 0.22 0.75 0.44 1.72 3.58 -0.82 -3.34 116.42 118.96 2ati h ASP 746 Ca -0.11 -0.72 -0.18 0.00 0.42 0.00 0.00 57.03 56.43 2ati h ASP 746 Cb 1.71 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 42.51 2ati h ASP 746 CO 0.18 1.54 -0.78 0.78 -2.88 0.00 0.00 179.24 178.08 2ati h ASN 747 N 0.21 0.33 0.00 2.28 2.35 -0.70 -3.44 115.58 116.60 2ati h ASN 747 Ca -0.18 -0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 2ati h ASN 747 Cb 1.95 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 40.22 2ati h ASN 747 CO 0.23 0.99 0.00 0.61 -1.65 0.00 0.00 177.43 177.61 2ati n GLY 748 N 0.66 1.09 0.12 2.83 0.00 -1.12 -4.75 105.19 104.02 2ati n GLY 748 Ca -0.04 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.91 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 0.19 -0.01 1.61 3.57 -1.48 -2.94 116.94 117.88 2ati h PHE 749 Ca 0.00 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.40 2ati h PHE 749 Cb 0.00 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.72 2ati h PHE 749 CO 0.00 0.90 -0.34 1.19 -2.23 0.00 0.00 178.31 177.83 2ati n PHE 750 N -3.65 0.00 -3.11 0.41 3.72 -1.25 -4.58 117.46 109.00 2ati n PHE 750 Ca -0.03 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.20 2ati n PHE 750 Cb 0.78 -0.05 -0.05 0.00 -0.94 0.00 0.00 39.48 39.22 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 -0.24 -1.62 0.25 4.37 3.41 -1.19 -4.75 113.62 113.86 2ati n SER 751 Ca 0.11 -2.66 0.12 0.00 -0.26 0.00 0.00 58.87 56.18 2ati n SER 751 Cb 0.42 0.40 0.66 0.00 -0.26 0.00 0.00 64.21 65.43 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 5.12 0.00 0.14 4.33 0.11 -1.77 -3.04 132.00 136.89 2ati h PRO 752 Ca 0.15 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.97 2ati h PRO 752 Cb 0.98 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.10 2ati h PRO 752 CO 0.25 0.15 -1.34 0.87 -0.21 0.00 0.00 178.00 177.72 2ati h LYS 753 N 0.00 0.29 -2.97 1.05 1.79 -1.95 -3.41 116.57 111.37 2ati h LYS 753 Ca -0.00 -0.50 -0.61 0.00 -2.18 0.00 0.00 60.65 57.36 2ati h LYS 753 Cb 0.45 0.19 -0.40 0.00 -1.58 0.00 0.00 32.23 30.89 2ati h LYS 753 CO 0.02 1.21 -0.74 -0.65 -1.08 0.00 0.00 179.45 178.21 2ati s GLN 754 N -2.64 1.27 0.51 3.15 -0.21 -1.15 -5.00 119.66 115.58 2ati s GLN 754 Ca -0.06 -1.99 0.32 0.00 0.02 0.00 0.00 55.36 53.65 2ati s GLN 754 Cb 0.07 -2.30 1.23 0.00 1.00 0.00 0.00 33.01 33.01 2ati s GLN 754 CO 0.88 -1.16 1.92 -1.35 -2.12 0.00 0.00 175.29 173.46 2ati h PRO 755 N 6.72 0.00 -0.05 2.91 0.11 -1.80 -3.08 132.00 136.82 2ati h PRO 755 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 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 0.48 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 174.80 2ati n ASP 756 N -2.99 2.32 -0.14 -2.05 2.03 -1.26 -4.27 116.55 110.20 2ati n ASP 756 Ca 0.01 -1.77 -0.04 0.00 0.52 0.00 0.00 54.79 53.51 2ati n ASP 756 Cb 0.32 -0.02 0.04 0.00 -0.72 0.00 0.00 41.12 40.74 2ati n ASP 756 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2ati h LEU 757 N 3.57 -0.20 -3.30 -2.67 5.85 -1.91 -2.89 115.31 113.77 2ati h LEU 757 Ca 0.00 0.11 -0.28 0.00 0.84 0.00 0.00 57.88 58.55 2ati h LEU 757 Cb 0.76 0.19 -0.17 0.00 0.37 0.00 0.00 40.66 41.81 2ati h LEU 757 CO 0.00 -0.06 0.35 0.49 -0.34 0.00 0.00 178.44 178.88 2ati n PHE 758 N -5.22 2.04 0.11 1.25 3.72 -1.26 -4.43 117.46 113.67 2ati n PHE 758 Ca 0.04 -1.23 -0.01 0.00 -0.05 0.00 0.00 57.45 56.20 2ati n PHE 758 Cb 0.23 -0.66 0.26 0.00 -0.94 0.00 0.00 39.48 38.37 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 1.29 0.21 -0.03 -1.08 1.63 -1.84 -2.43 116.57 114.31 2ati h LYS 759 Ca 0.34 -0.09 -0.07 0.00 -0.85 0.00 0.00 60.65 59.98 2ati h LYS 759 Cb 2.16 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 33.77 2ati h LYS 759 CO 0.69 0.56 -0.30 -0.44 -3.45 0.00 0.00 179.45 176.51 2ati h ASP 760 N 0.18 0.06 -0.02 4.20 3.45 -1.84 -0.31 116.42 122.14 2ati h ASP 760 Ca 0.02 -0.02 -0.08 0.00 0.43 0.00 0.00 57.03 57.38 2ati h ASP 760 Cb 0.75 -0.02 0.01 0.00 -0.56 0.00 0.00 39.33 39.51 2ati h ASP 760 CO 0.06 0.37 -0.29 0.40 -1.57 0.00 0.00 179.24 178.20 2ati h ILE 761 N 0.06 1.49 -0.48 0.35 2.04 -1.80 -2.91 117.51 116.27 2ati h ILE 761 Ca 0.01 -1.85 -0.02 0.00 1.00 0.00 0.00 64.86 64.00 2ati h ILE 761 Cb 0.57 2.58 -0.02 0.00 -0.74 0.00 0.00 36.82 39.21 2ati h ILE 761 CO 0.04 0.52 0.23 0.40 0.00 0.00 0.00 178.15 179.34 2ati h ILE 762 N -0.35 1.18 0.00 -0.67 1.08 -1.23 -0.44 117.51 117.07 2ati h ILE 762 Ca -0.03 -0.51 -0.06 0.00 -0.39 0.00 0.00 64.86 63.86 2ati h ILE 762 Cb 1.00 0.65 -0.01 0.00 -3.07 0.00 0.00 36.82 35.39 2ati h ILE 762 CO 0.06 0.20 -0.30 -1.13 -0.69 0.00 0.00 178.15 176.29 2ati h ASN 763 N 0.63 0.00 0.01 1.72 -1.24 -1.15 -1.95 115.58 113.59 2ati h ASN 763 Ca 0.16 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.13 2ati h ASN 763 Cb 0.11 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.16 2ati h ASN 763 CO -0.02 0.30 -0.18 -0.03 -1.29 0.00 0.00 177.43 176.21 2ati h MET 764 N 0.00 0.11 -0.06 6.67 4.05 -1.27 -2.68 114.93 121.75 2ati h MET 764 Ca -0.00 -0.13 0.02 0.00 -0.28 0.00 0.00 59.70 59.31 2ati h MET 764 Cb 0.54 0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.37 2ati h MET 764 CO 0.04 0.91 0.05 -0.07 0.23 0.00 0.00 176.91 178.06 2ati h LEU 765 N -0.62 0.00 0.05 3.39 3.38 -0.82 0.21 115.31 120.90 2ati h LEU 765 Ca -0.02 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.58 2ati h LEU 765 Cb 0.97 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.68 2ati h LEU 765 CO 0.04 0.00 -2.16 0.49 0.09 0.00 0.00 178.44 176.90 2ati n PHE 766 N -4.35 0.67 -0.00 1.13 3.01 -0.76 -4.65 117.46 112.52 2ati n PHE 766 Ca -0.01 0.16 0.00 0.00 1.01 0.00 0.00 57.45 58.61 2ati n PHE 766 Cb 0.15 -1.10 -0.00 0.00 -0.01 0.00 0.00 39.48 38.53 2ati n PHE 766 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2ati n TYR 767 N -3.27 0.00 -1.77 1.38 4.02 -1.01 -4.27 117.16 112.25 2ati n TYR 767 Ca -0.35 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.60 2ati n TYR 767 Cb 1.04 -0.01 0.15 0.00 -0.02 0.00 0.00 39.34 40.50 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 -1.71 0.00 -2.82 -0.72 8.25 -0.57 -5.01 115.22 112.64 2ati n HIS 768 Ca -0.00 -1.12 -0.43 0.00 -0.26 0.00 0.00 57.72 55.91 2ati n HIS 768 Cb 0.21 -0.20 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 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 -2.79 6.38 0.34 0.41 2.15 -0.04 -4.84 116.67 118.29 2ati s ASP 769 Ca 0.34 -1.40 0.27 0.00 0.43 0.00 0.00 52.55 52.19 2ati s ASP 769 Cb 0.34 -2.44 0.99 0.00 -0.30 0.00 0.00 42.92 41.51 2ati s ASP 769 CO -0.08 -1.35 1.79 0.03 -0.17 0.00 0.00 175.17 175.39 2ati h ARG 770 N 9.37 0.00 -0.60 4.34 3.08 -1.95 -3.13 114.38 125.50 2ati h ARG 770 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2ati h ARG 770 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.09 2ati h ARG 770 CO 1.20 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 181.29 2ati n PHE 771 N -2.54 0.96 -3.92 3.04 3.72 -1.26 -5.02 117.46 112.43 2ati n PHE 771 Ca 0.03 -0.54 -0.34 0.00 -0.05 0.00 0.00 57.45 56.54 2ati n PHE 771 Cb 0.31 -0.07 0.01 0.00 -0.94 0.00 0.00 39.48 38.79 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 1.16 -0.56 -0.12 -1.08 5.02 -1.18 -4.76 118.16 116.63 2ati n LYS 772 Ca 0.21 0.08 -0.08 0.00 -2.02 0.00 0.00 58.31 56.50 2ati n LYS 772 Cb 0.64 -1.76 -0.00 0.00 -0.02 0.00 0.00 35.03 33.89 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 -1.20 1.11 0.00 -0.18 2.07 -1.92 -2.93 116.25 113.19 2ati h VAL 773 Ca -0.56 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 66.69 2ati h VAL 773 Cb 1.13 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 2ati h VAL 773 CO 0.39 0.11 -0.24 -0.26 0.02 0.00 0.00 177.57 177.59 2ati h PHE 774 N 0.51 0.00 0.00 1.57 0.05 -1.91 -2.87 116.94 114.29 2ati h PHE 774 Ca 0.14 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 61.92 2ati h PHE 774 Cb -0.04 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 37.91 2ati h PHE 774 CO -0.04 0.24 -0.06 0.00 -0.18 0.00 0.00 178.31 178.26 2ati h ALA 775 N 1.76 1.01 -0.10 2.45 0.00 -1.90 -3.06 119.26 119.42 2ati h ALA 775 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2ati h ALA 775 Cb 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2ati h ALA 775 CO 0.03 0.08 0.00 -0.25 0.00 0.00 0.00 179.25 179.11 2ati n ASP 776 N -3.18 2.15 0.11 0.00 8.00 -1.10 -4.74 116.55 117.78 2ati n ASP 776 Ca 0.01 -1.59 -0.13 0.00 0.71 0.00 0.00 54.79 53.78 2ati n ASP 776 Cb 0.35 -0.06 -0.08 0.00 -0.02 0.00 0.00 41.12 41.32 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 2.06 -0.20 -0.01 1.24 3.20 -1.41 -2.36 116.97 119.50 2ati h TYR 777 Ca 0.00 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.87 2ati h TYR 777 Cb 0.52 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 2ati h TYR 777 CO 0.06 -0.04 -0.02 1.49 -1.64 0.00 0.00 178.16 178.01 2ati h GLU 778 N -0.32 -0.04 0.00 1.82 4.81 -1.85 -2.14 114.58 116.86 2ati h GLU 778 Ca -0.02 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 2ati h GLU 778 Cb 0.25 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 2ati h GLU 778 CO 0.04 -0.03 -0.12 0.00 -0.73 0.00 0.00 179.01 178.17 2ati h ALA 779 N 0.96 1.53 0.02 2.92 0.00 -1.89 -2.32 119.26 120.49 2ati h ALA 779 Ca 0.01 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2ati h ALA 779 Cb 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2ati h ALA 779 CO -0.03 0.15 -0.01 -0.92 0.00 0.00 0.00 179.25 178.44 2ati h TYR 780 N 0.00 -0.03 -0.36 0.00 3.20 -1.08 -2.28 116.97 116.42 2ati h TYR 780 Ca -0.00 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.80 2ati h TYR 780 Cb 0.26 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 2ati h TYR 780 CO 0.00 0.60 -0.05 0.28 -1.64 0.00 0.00 178.16 177.35 2ati h VAL 781 N -0.69 1.22 -0.20 1.81 2.07 -1.27 0.57 116.25 119.75 2ati h VAL 781 Ca -0.00 -0.93 -0.14 0.00 0.82 0.00 0.00 66.70 66.45 2ati h VAL 781 Cb 0.64 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 2ati h VAL 781 CO 0.01 0.32 -0.46 0.11 0.02 0.00 0.00 177.57 177.56 2ati h LYS 782 N 0.55 0.52 -0.19 1.57 1.57 -1.49 -1.74 116.57 117.36 2ati h LYS 782 Ca 0.11 -0.28 -0.19 0.00 -1.87 0.00 0.00 60.65 58.41 2ati h LYS 782 Cb 0.42 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.75 2ati h LYS 782 CO 0.02 0.87 -0.65 0.00 -0.57 0.00 0.00 179.45 179.12 2ati h GLN 784 N 0.51 0.00 -0.30 0.00 1.08 -0.69 -2.08 115.11 113.63 2ati h GLN 784 Ca -0.02 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.04 2ati h GLN 784 Cb 1.25 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.67 2ati h GLN 784 CO 0.13 0.27 -0.38 -0.44 -0.95 0.00 0.00 178.83 177.46 2ati h ASP 785 N 0.00 0.74 0.42 1.46 3.32 -1.14 -2.26 116.42 118.96 2ati h ASP 785 Ca -0.00 -0.33 -0.10 0.00 0.02 0.00 0.00 57.03 56.63 2ati h ASP 785 Cb 0.54 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 2ati h ASP 785 CO 0.03 1.04 -0.44 0.11 -1.72 0.00 0.00 179.24 178.26 2ati h LYS 786 N 0.58 0.03 -0.20 3.56 1.57 -1.21 -1.85 116.57 119.05 2ati h LYS 786 Ca 0.05 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.71 2ati h LYS 786 Cb 0.91 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.22 2ati h LYS 786 CO 0.08 0.47 -0.28 0.28 -0.57 0.00 0.00 179.45 179.43 2ati h VAL 787 N 0.03 1.33 -0.80 0.50 2.07 -1.18 -2.70 116.25 115.49 2ati h VAL 787 Ca -0.00 -1.49 -0.02 0.00 0.82 0.00 0.00 66.70 66.01 2ati h VAL 787 Cb 0.80 1.81 -0.04 0.00 -1.52 0.00 0.00 31.29 32.34 2ati h VAL 787 CO 0.06 0.46 0.43 0.28 0.02 0.00 0.00 177.57 178.81 2ati h SER 788 N 0.22 1.01 -0.26 0.57 0.02 -1.17 -2.18 113.55 111.76 2ati h SER 788 Ca 0.02 -0.09 -0.10 0.00 -0.84 0.00 0.00 61.79 60.78 2ati h SER 788 Cb 0.86 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 2ati h SER 788 CO 0.07 0.82 -0.19 1.56 -1.14 0.00 0.00 176.83 177.95 2ati h GLN 789 N 1.13 0.70 0.00 3.45 4.20 -1.30 -3.04 115.11 120.24 2ati h GLN 789 Ca 0.28 -0.26 -0.16 0.00 0.06 0.00 0.00 58.65 58.58 2ati h GLN 789 Cb 0.05 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 2ati h GLN 789 CO -0.04 0.84 -0.74 1.25 -0.67 0.00 0.00 178.83 179.47 2ati h LEU 790 N 0.63 0.00 -1.49 1.46 5.85 -1.14 -3.21 115.31 117.40 2ati h LEU 790 Ca 0.10 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 2ati h LEU 790 Cb 0.66 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 2ati h LEU 790 CO 0.05 0.74 -0.21 0.22 -0.34 0.00 0.00 178.44 178.90 2ati h TYR 791 N 0.00 0.00 0.00 1.25 3.20 -1.29 -2.46 116.97 117.68 2ati h TYR 791 Ca -0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2ati h TYR 791 Cb 1.35 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.62 2ati h TYR 791 CO 0.00 0.21 0.00 -1.33 -1.64 0.00 0.00 178.16 175.40 2ati n MET 792 N -3.61 0.22 -3.86 1.82 2.81 -1.21 -4.13 117.12 109.15 2ati n MET 792 Ca -0.01 0.40 -0.33 0.00 -1.81 0.00 0.00 57.70 55.95 2ati n MET 792 Cb 0.34 -1.88 -0.12 0.00 -0.71 0.00 0.00 33.22 30.85 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 -4.36 4.77 0.40 7.83 3.84 -0.92 -4.98 114.94 121.51 2ati s ASN 793 Ca 0.05 -2.79 0.10 0.00 0.21 0.00 0.00 52.86 50.43 2ati s ASN 793 Cb 0.10 -1.73 0.89 0.00 -0.55 0.00 0.00 41.25 39.95 2ati s ASN 793 CO 0.43 -0.32 1.96 -0.65 -2.79 0.00 0.00 177.10 175.73 2ati h PRO 794 N 6.92 0.57 -0.40 0.43 0.11 -1.78 -1.98 132.00 135.87 2ati h PRO 794 Ca -0.06 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.96 2ati h PRO 794 Cb 0.94 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 2ati h PRO 794 CO 0.68 0.37 0.02 -0.22 -0.21 0.00 0.00 178.00 178.65 2ati h LYS 795 N 0.58 0.70 -0.08 1.05 3.64 -1.94 -1.42 116.57 119.10 2ati h LYS 795 Ca 0.31 -0.21 -0.20 0.00 -1.27 0.00 0.00 60.65 59.28 2ati h LYS 795 Cb 0.44 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 2ati h LYS 795 CO -0.10 0.77 -0.78 0.00 -2.27 0.00 0.00 179.45 177.07 2ati h ALA 796 N 0.90 0.49 0.02 5.00 0.00 -1.80 -2.33 119.26 121.53 2ati h ALA 796 Ca 0.12 -0.62 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 2ati h ALA 796 Cb 0.44 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2ati h ALA 796 CO 0.02 0.75 -0.01 2.35 0.00 0.00 0.00 179.25 182.36 2ati h TRP 797 N 0.33 -0.02 0.00 0.00 2.91 -1.33 -2.22 115.95 115.62 2ati h TRP 797 Ca -0.04 -0.00 -0.04 0.00 1.13 0.00 0.00 58.89 59.94 2ati h TRP 797 Cb 1.38 0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 30.03 2ati h TRP 797 CO 0.06 0.15 -0.18 -0.91 -1.03 0.00 0.00 178.44 176.53 2ati h ASN 798 N -0.19 0.00 0.37 2.65 2.35 -1.30 -1.12 115.58 118.33 2ati h ASN 798 Ca -0.00 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.56 2ati h ASN 798 Cb 0.18 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 2ati h ASN 798 CO 0.00 0.18 -0.78 0.74 -1.65 0.00 0.00 177.43 175.92 2ati h THR 799 N 0.00 1.41 -0.10 2.81 2.02 -1.26 -1.13 112.91 116.66 2ati h THR 799 Ca -0.00 -2.29 -0.20 0.00 0.77 0.00 0.00 66.41 64.69 2ati h THR 799 Cb 0.59 2.23 -0.00 0.00 -1.74 0.00 0.00 68.15 69.23 2ati h THR 799 CO 0.02 0.68 -0.75 -0.03 0.37 0.00 0.00 175.52 175.81 2ati h MET 800 N 0.21 0.51 -0.60 6.66 1.85 -0.93 -2.63 114.93 120.01 2ati h MET 800 Ca -0.04 -0.42 -0.05 0.00 -0.61 0.00 0.00 59.70 58.57 2ati h MET 800 Cb 1.37 0.09 -0.02 0.00 0.43 0.00 0.00 31.60 33.47 2ati h MET 800 CO 0.13 1.05 0.16 0.28 -0.40 0.00 0.00 176.91 178.13 2ati h VAL 801 N 0.35 1.25 -0.73 -5.77 2.07 -1.09 -2.34 116.25 110.00 2ati h VAL 801 Ca -0.04 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.61 2ati h VAL 801 Cb 1.34 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 2ati h VAL 801 CO 0.14 0.33 0.46 0.25 0.02 0.00 0.00 177.57 178.77 2ati h LEU 802 N 0.86 0.86 -1.41 2.57 5.85 -1.12 -1.43 115.31 121.49 2ati h LEU 802 Ca 0.19 -0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.81 2ati h LEU 802 Cb 0.33 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 2ati h LEU 802 CO -0.00 0.65 -0.29 0.11 -0.34 0.00 0.00 178.44 178.56 2ati h LYS 803 N 0.99 0.00 0.07 1.25 1.57 -1.20 -1.15 116.57 118.11 2ati h LYS 803 Ca 0.26 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.81 2ati h LYS 803 Cb -0.07 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.26 2ati h LYS 803 CO -0.05 0.29 -0.95 -0.91 -0.57 0.00 0.00 179.45 177.26 2ati h ASN 804 N 0.00 0.71 -0.19 0.86 2.35 -0.85 -3.00 115.58 115.46 2ati h ASN 804 Ca -0.00 -0.81 -0.07 0.00 -0.55 0.00 0.00 56.30 54.86 2ati h ASN 804 Cb 0.56 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.71 2ati h ASN 804 CO 0.04 1.45 -0.15 0.40 -1.65 0.00 0.00 177.43 177.51 2ati h ILE 805 N 0.06 1.32 0.00 2.81 2.04 -1.18 -2.61 117.51 119.96 2ati h ILE 805 Ca -0.14 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.44 2ati h ILE 805 Cb 1.66 1.74 0.00 0.00 -0.74 0.00 0.00 36.82 39.48 2ati h ILE 805 CO 0.18 0.39 0.00 0.00 0.00 0.00 0.00 178.15 178.72 2ati h ALA 806 N 0.66 1.00 -0.22 1.87 0.00 -1.32 -2.19 119.26 119.06 2ati h ALA 806 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2ati h ALA 806 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2ati h ALA 806 CO 0.04 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.29 2ati n ALA 807 N -2.00 2.31 1.61 0.00 0.00 -1.13 -2.69 120.51 118.61 2ati n ALA 807 Ca -0.01 -1.49 0.14 0.00 0.00 0.00 0.00 53.44 52.08 2ati n ALA 807 Cb 0.13 -0.39 0.63 0.00 0.00 0.00 0.00 19.45 19.82 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 -0.11 1.07 -0.16 0.00 3.41 -0.82 -4.37 113.62 112.63 2ati n SER 808 Ca 0.11 -1.32 0.14 0.00 -0.26 0.00 0.00 58.87 57.54 2ati n SER 808 Cb 0.50 0.00 0.48 0.00 -0.26 0.00 0.00 64.21 64.93 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 4.90 0.76 2.00 5.00 0.00 -1.77 -1.87 103.07 112.09 2ati h GLY 809 Ca 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.10 2ati h GLY 809 CO 0.00 0.08 -0.14 1.70 0.00 0.00 0.00 176.54 178.19 2ati h LYS 810 N 0.48 0.00 -0.53 4.80 3.64 -1.88 -3.09 116.57 119.99 2ati h LYS 810 Ca 0.36 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 2ati h LYS 810 Cb 0.73 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 2ati h LYS 810 CO -0.12 0.14 0.00 1.19 -2.27 0.00 0.00 179.45 178.38 2ati n PHE 811 N -3.61 0.37 -2.72 1.91 3.72 -0.70 -4.73 117.46 111.70 2ati n PHE 811 Ca -0.02 -0.15 -0.41 0.00 -0.05 0.00 0.00 57.45 56.83 2ati n PHE 811 Cb 0.26 -0.10 -0.05 0.00 -0.94 0.00 0.00 39.48 38.66 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 -0.61 7.55 0.00 4.37 0.15 -1.17 -0.84 113.70 123.16 2ati s SER 812 Ca 0.13 1.90 0.14 0.00 0.70 0.00 0.00 55.95 58.81 2ati s SER 812 Cb 0.08 -2.60 0.60 0.00 -1.71 0.00 0.00 66.02 62.39 2ati s SER 812 CO 0.06 0.03 1.44 -1.54 1.20 0.00 0.00 173.24 174.43 2ati n SER 813 N 2.10 0.00 0.01 5.45 3.41 0.09 -1.80 113.62 122.89 2ati n SER 813 Ca 0.00 0.46 -0.08 0.00 -0.26 0.00 0.00 58.87 58.99 2ati n SER 813 Cb 0.48 -0.48 0.09 0.00 -0.26 0.00 0.00 64.21 64.04 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 0.56 -0.06 4.04 3.45 -1.91 0.30 116.42 122.79 2ati h ASP 814 Ca 0.00 -0.27 -0.03 0.00 0.43 0.00 0.00 57.03 57.15 2ati h ASP 814 Cb 0.23 -0.16 -0.00 0.00 -0.56 0.00 0.00 39.33 38.84 2ati h ASP 814 CO 0.00 0.95 -0.08 -0.09 -1.57 0.00 0.00 179.24 178.45 2ati h ARG 815 N 0.40 0.16 -0.49 3.56 1.12 -1.67 -2.12 114.38 115.35 2ati h ARG 815 Ca 0.02 -0.09 0.04 0.00 -1.11 0.00 0.00 59.98 58.83 2ati h ARG 815 Cb 1.00 0.01 -0.04 0.00 -0.01 0.00 0.00 29.97 30.93 2ati h ARG 815 CO 0.09 0.64 0.26 1.15 -3.11 0.00 0.00 179.97 179.01 2ati h THR 816 N -0.30 0.99 -0.39 0.20 2.02 -1.45 -2.63 112.91 111.34 2ati h THR 816 Ca 0.01 -0.18 -0.11 0.00 0.77 0.00 0.00 66.41 66.90 2ati h THR 816 Cb 0.62 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 2ati h THR 816 CO 0.02 0.09 -0.19 0.40 0.37 0.00 0.00 175.52 176.21 2ati h ILE 817 N 0.52 1.27 -0.30 3.11 1.08 -0.94 -2.26 117.51 119.98 2ati h ILE 817 Ca 0.21 -1.29 -0.01 0.00 -0.39 0.00 0.00 64.86 63.38 2ati h ILE 817 Cb 0.09 1.17 -0.02 0.00 -3.07 0.00 0.00 36.82 35.00 2ati h ILE 817 CO -0.13 0.43 0.12 0.11 -0.69 0.00 0.00 178.15 177.99 2ati h LYS 818 N 0.67 0.41 -0.06 2.37 1.57 -1.03 0.76 116.57 121.26 2ati h LYS 818 Ca 0.10 -0.04 -0.17 0.00 -1.87 0.00 0.00 60.65 58.66 2ati h LYS 818 Cb 0.69 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.93 2ati h LYS 818 CO 0.05 0.34 -0.64 0.93 -0.57 0.00 0.00 179.45 179.56 2ati h GLU 819 N 0.41 0.53 -0.60 3.15 5.08 -1.23 -1.54 114.58 120.39 2ati h GLU 819 Ca 0.10 -0.50 -0.06 0.00 -1.00 0.00 0.00 59.36 57.91 2ati h GLU 819 Cb 0.08 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 2ati h GLU 819 CO -0.01 1.13 0.13 1.88 -1.00 0.00 0.00 179.01 181.14 2ati h TYR 820 N 0.12 0.97 -0.24 4.33 0.05 -1.04 -1.39 116.97 119.78 2ati h TYR 820 Ca -0.06 -0.10 -0.03 0.00 0.05 0.00 0.00 58.73 58.59 2ati h TYR 820 Cb 1.31 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 38.76 2ati h TYR 820 CO 0.12 0.81 0.05 0.00 -1.05 0.00 0.00 178.16 178.09 2ati h ALA 821 N 1.25 0.32 -0.03 3.88 0.00 -0.81 -0.31 119.26 123.56 2ati h ALA 821 Ca 0.19 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 2ati h ALA 821 Cb 0.34 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.04 2ati h ALA 821 CO 0.00 -0.01 -0.40 0.37 0.00 0.00 0.00 179.25 179.21 2ati h GLN 822 N 0.21 0.33 0.00 0.00 4.15 -1.21 -0.09 115.11 118.50 2ati h GLN 822 Ca 0.07 -0.31 0.00 0.00 0.77 0.00 0.00 58.65 59.18 2ati h GLN 822 Cb 0.30 0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.07 2ati h GLN 822 CO 0.00 0.98 -1.08 0.09 -1.93 0.00 0.00 178.83 176.89 2ati n ASN 823 N -4.37 0.87 0.04 -0.69 3.02 -0.53 -4.44 115.26 109.16 2ati n ASN 823 Ca -0.09 -0.85 0.00 0.00 -0.03 0.00 0.00 54.58 53.61 2ati n ASN 823 Cb 0.56 1.07 0.00 0.00 -0.61 0.00 0.00 39.78 40.80 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 -1.59 0.87 0.16 2.41 5.41 -0.54 -4.89 119.36 121.19 2ati n ILE 824 Ca 0.03 0.29 0.05 0.00 1.00 0.00 0.00 62.75 64.12 2ati n ILE 824 Cb 0.36 -1.48 0.06 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 0.00 0.00 -5.26 1.39 6.55 -1.22 -3.49 115.95 113.92 2ati h TRP 825 Ca 0.00 0.00 -0.31 0.00 0.95 0.00 0.00 58.89 59.53 2ati h TRP 825 Cb 0.22 0.00 0.14 0.00 -0.86 0.00 0.00 29.16 28.66 2ati h TRP 825 CO 0.00 0.39 -0.66 -1.71 -1.05 0.00 0.00 178.44 175.41 2ati n ASN 826 N -3.19 -3.33 -4.45 -3.49 5.15 -0.14 -4.91 115.26 100.90 2ati n ASN 826 Ca 0.02 -0.53 -0.27 0.00 -0.60 0.00 0.00 54.58 53.20 2ati n ASN 826 Cb 0.69 -4.58 -0.11 0.00 -0.53 0.00 0.00 39.78 35.24 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 -3.31 2.52 -0.15 3.44 -7.23 -0.61 -4.96 120.40 110.10 2ati s VAL 827 Ca 0.17 -1.91 -0.01 0.00 -1.81 0.00 0.00 61.98 58.42 2ati s VAL 827 Cb -0.08 -2.20 -0.01 0.00 0.56 0.00 0.00 36.38 34.65 2ati s VAL 827 CO 0.65 -0.08 -0.10 -0.70 -0.31 0.00 0.00 175.10 174.56 2ati s GLU 828 N -2.60 3.42 -0.29 4.82 2.12 -1.26 -4.26 118.70 120.64 2ati s GLU 828 Ca 0.21 -0.65 -0.28 0.00 0.36 0.00 0.00 54.97 54.60 2ati s GLU 828 Cb -0.08 -2.74 -0.03 0.00 0.26 0.00 0.00 34.13 31.54 2ati s GLU 828 CO 0.10 0.13 1.88 -2.14 -0.54 0.00 0.00 175.26 174.69 2ati s PRO 829 N 0.57 3.33 0.11 4.30 0.02 -1.26 -4.83 135.00 137.25 2ati s PRO 829 Ca -0.07 1.58 -0.02 0.00 0.02 0.00 0.00 61.00 62.51 2ati s PRO 829 Cb -0.15 -4.22 -0.05 0.00 0.02 0.00 0.00 34.50 30.10 2ati s PRO 829 CO 0.03 -1.86 0.31 -1.54 -0.33 0.00 0.00 177.00 173.61 2ati s SER 830 N 6.40 6.43 0.00 2.53 1.04 -1.07 -4.99 113.70 124.04 2ati s SER 830 Ca 0.84 0.44 0.00 0.00 0.48 0.00 0.00 55.95 57.71 2ati s SER 830 Cb -0.25 -2.03 0.00 0.00 0.10 0.00 0.00 66.02 63.84 2ati s SER 830 CO 0.34 0.09 0.35 -0.90 0.98 0.00 0.00 173.24 174.10