#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1abb n LYS 11 N 0.00 0.00 0.00 5.56 4.76 -1.26 -0.04 118.16 127.18 1abb n LYS 11 Ca 0.00 0.27 0.11 0.00 -2.87 0.00 0.00 58.31 55.82 1abb n LYS 11 Cb 0.00 -1.73 0.03 0.00 -1.84 0.00 0.00 35.03 31.48 1abb n LYS 11 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1abb n GLN 12 N -1.28 0.05 -2.91 1.97 6.02 -1.26 -4.66 117.38 115.31 1abb n GLN 12 Ca -0.00 -0.04 -0.43 0.00 -0.01 0.00 0.00 57.00 56.52 1abb n GLN 12 Cb 0.23 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.94 1abb n GLN 12 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1abb s ILE 13 N -2.98 4.50 0.01 5.09 1.01 0.94 -4.96 121.20 124.81 1abb s ILE 13 Ca 0.10 0.05 -0.25 0.00 0.00 0.00 0.00 60.65 60.55 1abb s ILE 13 Cb 0.17 -4.49 0.06 0.00 0.01 0.00 0.00 42.46 38.20 1abb s ILE 13 CO 0.79 -1.07 0.55 -0.55 0.00 0.00 0.00 174.94 174.67 1abb s SER 14 N 2.88 -0.49 0.33 3.58 0.15 -1.26 -5.00 113.70 113.87 1abb s SER 14 Ca 0.26 0.36 0.08 0.00 0.70 0.00 0.00 55.95 57.35 1abb s SER 14 Cb -0.14 0.49 0.57 0.00 -1.71 0.00 0.00 66.02 65.22 1abb s SER 14 CO 0.17 -0.65 1.77 0.58 1.20 0.00 0.00 173.24 176.31 1abb h VAL 15 N 2.98 1.27 -0.43 4.45 2.07 -1.97 -3.39 116.25 121.23 1abb h VAL 15 Ca -0.29 -1.27 0.04 0.00 0.82 0.00 0.00 66.70 65.99 1abb h VAL 15 Cb 1.18 1.52 -0.05 0.00 -1.52 0.00 0.00 31.29 32.43 1abb h VAL 15 CO 0.40 0.38 -0.25 -2.11 0.02 0.00 0.00 177.57 176.01 1abb n ARG 16 N -4.11 -0.19 -0.85 1.57 1.85 -1.26 -2.58 116.66 111.09 1abb n ARG 16 Ca -0.01 0.74 -0.17 0.00 -1.00 0.00 0.00 57.85 57.41 1abb n ARG 16 Cb 0.41 -1.09 0.09 0.00 -1.05 0.00 0.00 32.46 30.81 1abb n ARG 16 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1abb n GLY 17 N -1.11 3.92 1.83 2.89 0.00 -1.26 -4.60 105.19 106.86 1abb n GLY 17 Ca 0.01 -0.95 -0.14 0.00 0.00 0.00 0.00 46.02 44.94 1abb n GLY 17 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1abb n LEU 18 N -0.31 5.77 0.00 0.99 4.32 -1.07 -4.98 117.00 121.73 1abb n LEU 18 Ca 0.37 -3.56 0.00 0.00 -0.02 0.00 0.00 56.01 52.80 1abb n LEU 18 Cb 0.99 -0.75 0.00 0.00 -1.62 0.00 0.00 43.42 42.03 1abb n LEU 18 CO 0.42 1.05 0.00 0.00 -1.22 0.00 0.00 177.39 177.64 1abb n ALA 19 N -0.93 0.00 -1.63 -1.18 0.00 -1.26 -5.02 120.51 110.48 1abb n ALA 19 Ca 0.47 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.59 1abb n ALA 19 Cb 1.41 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.92 1abb n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1abb n GLY 20 N 0.00 6.00 0.00 0.00 0.00 -1.26 -5.04 105.19 104.89 1abb n GLY 20 Ca 0.00 -2.45 0.00 0.00 0.00 0.00 0.00 46.02 43.57 1abb n GLY 20 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1abb n VAL 21 N -0.81 0.00 -1.67 1.61 3.14 -1.26 -3.90 118.33 115.45 1abb n VAL 21 Ca 0.56 0.00 -0.16 0.00 -2.96 0.00 0.00 64.34 61.77 1abb n VAL 21 Cb 0.71 0.00 -0.09 0.00 -1.06 0.00 0.00 33.84 33.40 1abb n VAL 21 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 1abb s GLU 22 N 0.00 1.58 -0.26 1.45 0.41 -1.26 -4.58 118.70 116.03 1abb s GLU 22 Ca 0.00 -0.10 -0.12 0.00 -0.41 0.00 0.00 54.97 54.33 1abb s GLU 22 Cb 0.00 -4.93 0.09 0.00 -1.78 0.00 0.00 34.13 27.51 1abb s GLU 22 CO 0.00 -4.77 0.62 1.21 -0.49 0.00 0.00 175.26 171.83 1abb s ASN 23 N 9.28 -0.89 0.19 -0.19 3.84 -1.25 -5.03 114.94 120.88 1abb s ASN 23 Ca 0.84 1.41 0.09 0.00 0.21 0.00 0.00 52.86 55.41 1abb s ASN 23 Cb -0.08 1.58 0.02 0.00 -0.55 0.00 0.00 41.25 42.22 1abb s ASN 23 CO 0.12 -0.23 1.41 0.58 -2.79 0.00 0.00 177.10 176.19 1abb h VAL 24 N 5.48 1.56 0.15 -5.21 2.07 -1.84 -2.91 116.25 115.54 1abb h VAL 24 Ca -0.26 -2.88 -0.29 0.00 0.82 0.00 0.00 66.70 64.09 1abb h VAL 24 Cb 1.17 2.57 0.02 0.00 -1.52 0.00 0.00 31.29 33.53 1abb h VAL 24 CO 0.16 0.81 -1.28 0.74 0.02 0.00 0.00 177.57 178.02 1abb h THR 25 N 0.00 1.41 -0.04 2.57 2.02 -1.95 -1.58 112.91 115.35 1abb h THR 25 Ca -0.01 -2.84 -0.03 0.00 0.77 0.00 0.00 66.41 64.30 1abb h THR 25 Cb 1.50 2.90 0.00 0.00 -1.74 0.00 0.00 68.15 70.81 1abb h THR 25 CO 0.11 0.84 -0.09 -0.33 0.37 0.00 0.00 175.52 176.42 1abb h GLU 26 N 0.13 0.12 -0.70 6.66 4.39 -1.90 -2.69 114.58 120.59 1abb h GLU 26 Ca -0.17 -0.09 0.03 0.00 0.34 0.00 0.00 59.36 59.48 1abb h GLU 26 Cb 1.98 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 30.61 1abb h GLU 26 CO 0.22 0.69 0.46 -0.07 -1.16 0.00 0.00 179.01 179.16 1abb h LEU 27 N -0.42 0.73 -0.58 1.33 3.38 -1.57 0.12 115.31 118.30 1abb h LEU 27 Ca -0.00 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.00 1abb h LEU 27 Cb 0.69 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 1abb h LEU 27 CO 0.02 0.51 0.34 0.11 0.09 0.00 0.00 178.44 179.50 1abb h LYS 28 N 0.85 0.64 0.04 1.13 1.57 -1.31 -1.39 116.57 118.10 1abb h LYS 28 Ca 0.28 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1abb h LYS 28 Cb 0.06 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 1abb h LYS 28 CO -0.08 0.42 -0.03 -0.22 -0.57 0.00 0.00 179.45 178.97 1abb h LYS 29 N 0.66 -0.07 -0.87 3.15 3.64 -0.47 -1.75 116.57 120.86 1abb h LYS 29 Ca 0.24 0.00 0.25 0.00 -1.27 0.00 0.00 60.65 59.88 1abb h LYS 29 Cb 0.07 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 1abb h LYS 29 CO -0.13 -0.04 0.73 -0.91 -2.27 0.00 0.00 179.45 176.83 1abb h ASN 30 N -0.07 0.00 0.35 4.20 2.35 -1.28 0.52 115.58 121.65 1abb h ASN 30 Ca -0.01 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1abb h ASN 30 Cb 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1abb h ASN 30 CO 0.00 0.00 -0.17 0.15 -1.65 0.00 0.00 177.43 175.77 1abb h PHE 31 N 0.00 -0.43 0.00 1.19 3.04 -0.43 -1.88 116.94 118.43 1abb h PHE 31 Ca 0.41 -0.01 -0.05 0.00 3.98 0.00 0.00 57.97 62.30 1abb h PHE 31 Cb 1.86 0.14 -0.01 0.00 2.56 0.00 0.00 35.95 40.51 1abb h PHE 31 CO 0.00 -0.26 -0.26 -0.91 -2.02 0.00 0.00 178.31 174.87 1abb h ASN 32 N -0.49 0.00 0.05 0.41 2.35 -0.15 -0.16 115.58 117.59 1abb h ASN 32 Ca -0.05 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1abb h ASN 32 Cb 0.37 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.74 1abb h ASN 32 CO 0.08 0.26 -0.02 0.03 -1.65 0.00 0.00 177.43 176.12 1abb h ARG 33 N 0.00 -0.06 -0.30 0.81 3.08 -0.71 -3.15 114.38 114.05 1abb h ARG 33 Ca -0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 1abb h ARG 33 Cb 0.49 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1abb h ARG 33 CO 0.03 0.10 -0.34 0.45 -1.07 0.00 0.00 179.97 179.14 1abb h HIS 34 N -0.22 0.77 -0.95 3.04 3.86 -0.98 0.43 115.15 121.10 1abb h HIS 34 Ca -0.01 -0.21 0.02 0.00 -1.16 0.00 0.00 60.37 59.02 1abb h HIS 34 Cb 0.19 -0.17 -0.05 0.00 1.06 0.00 0.00 27.41 28.44 1abb h HIS 34 CO -0.02 0.91 0.63 1.25 0.86 0.00 0.00 177.93 181.55 1abb h LEU 35 N 0.55 1.07 0.00 2.43 5.85 -1.11 0.47 115.31 124.56 1abb h LEU 35 Ca 0.06 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1abb h LEU 35 Cb 0.85 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1abb h LEU 35 CO 0.07 0.76 -0.26 0.45 -0.34 0.00 0.00 178.44 179.12 1abb h HIS 36 N 1.26 0.00 0.15 1.25 3.86 -1.49 -2.94 115.15 117.23 1abb h HIS 36 Ca 0.36 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 59.28 1abb h HIS 36 Cb -0.09 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.39 1abb h HIS 36 CO -0.01 0.00 -1.31 0.74 0.86 0.00 0.00 177.93 178.21 1abb h PHE 37 N -0.85 0.57 0.15 2.45 0.04 -0.27 0.62 116.94 119.66 1abb h PHE 37 Ca 0.00 -0.42 -0.35 0.00 2.80 0.00 0.00 57.97 60.00 1abb h PHE 37 Cb 0.26 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 38.39 1abb h PHE 37 CO -0.11 1.34 -1.85 1.15 -0.60 0.00 0.00 178.31 178.24 1abb h THR 38 N 0.09 0.79 0.00 -1.55 2.02 -1.46 -3.40 112.91 109.40 1abb h THR 38 Ca -0.16 -2.42 -0.06 0.00 0.77 0.00 0.00 66.41 64.54 1abb h THR 38 Cb 2.01 2.63 -0.01 0.00 -1.74 0.00 0.00 68.15 71.04 1abb h THR 38 CO 0.21 0.87 -1.31 0.18 0.37 0.00 0.00 175.52 175.84 1abb n LEU 39 N -3.57 0.70 -3.31 2.58 4.32 0.14 -4.98 117.00 112.88 1abb n LEU 39 Ca -0.28 0.28 -0.17 0.00 -0.02 0.00 0.00 56.01 55.82 1abb n LEU 39 Cb 1.05 0.01 0.06 0.00 -1.62 0.00 0.00 43.42 42.92 1abb n LEU 39 CO 0.46 -0.04 0.03 0.52 -1.22 0.00 0.00 177.39 177.14 1abb n VAL 40 N -2.68 -8.72 -3.81 4.08 0.31 0.21 -4.98 118.33 102.74 1abb n VAL 40 Ca -0.04 -1.23 -0.11 0.00 -0.01 0.00 0.00 64.34 62.95 1abb n VAL 40 Cb 0.66 -6.20 -0.08 0.00 -0.91 0.00 0.00 33.84 27.31 1abb n VAL 40 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1abb s LYS 41 N -4.57 0.76 0.23 5.55 -0.14 -1.12 -5.04 119.74 115.41 1abb s LYS 41 Ca 0.44 -0.64 0.00 0.00 -1.36 0.00 0.00 55.97 54.41 1abb s LYS 41 Cb -0.07 0.32 -0.04 0.00 -1.68 0.00 0.00 37.83 36.35 1abb s LYS 41 CO 0.76 -0.23 0.13 0.16 -0.76 0.00 0.00 175.35 175.41 1abb s ASP 42 N -2.20 0.63 0.28 2.83 -4.77 -1.26 -3.15 116.67 109.03 1abb s ASP 42 Ca -0.04 -1.42 0.21 0.00 -3.30 0.00 0.00 52.55 48.01 1abb s ASP 42 Cb -0.00 0.33 1.05 0.00 -1.09 0.00 0.00 42.92 43.20 1abb s ASP 42 CO -0.05 -0.83 1.65 -2.11 0.70 0.00 0.00 175.17 174.54 1abb n ARG 43 N -0.37 0.15 0.20 2.11 1.85 -1.26 -0.22 116.66 119.13 1abb n ARG 43 Ca 0.02 0.55 0.09 0.00 -1.00 0.00 0.00 57.85 57.51 1abb n ARG 43 Cb 0.66 -1.90 0.25 0.00 -1.05 0.00 0.00 32.46 30.42 1abb n ARG 43 CO 0.00 0.00 0.00 -0.91 -0.01 0.00 0.00 177.63 176.71 1abb h ASN 44 N 0.00 0.00 0.00 2.89 4.21 -2.05 -3.35 115.58 117.28 1abb h ASN 44 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1abb h ASN 44 Cb 0.14 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.34 1abb h ASN 44 CO 0.00 0.20 0.00 0.52 -1.29 0.00 0.00 177.43 176.86 1abb n VAL 45 N -3.20 0.06 -2.58 2.81 0.31 0.69 -5.05 118.33 111.37 1abb n VAL 45 Ca 0.02 -0.14 -0.42 0.00 -0.01 0.00 0.00 64.34 63.78 1abb n VAL 45 Cb 0.54 1.54 -0.03 0.00 -0.91 0.00 0.00 33.84 34.99 1abb n VAL 45 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1abb s ALA 46 N -0.06 3.42 0.79 3.52 0.00 0.03 -4.89 121.76 124.56 1abb s ALA 46 Ca 0.00 0.51 -0.11 0.00 0.00 0.00 0.00 51.96 52.37 1abb s ALA 46 Cb 0.00 -3.46 0.08 0.00 0.00 0.00 0.00 23.12 19.74 1abb s ALA 46 CO 0.00 -0.63 1.14 0.99 0.00 0.00 0.00 175.76 177.27 1abb s THR 47 N 1.95 2.06 0.23 0.00 2.01 -1.26 -4.89 115.64 115.75 1abb s THR 47 Ca 0.52 -0.06 0.28 0.00 0.31 0.00 0.00 61.69 62.74 1abb s THR 47 Cb -0.22 -3.00 0.29 0.00 0.01 0.00 0.00 72.50 69.58 1abb s THR 47 CO 0.21 0.00 1.95 1.55 -0.69 0.00 0.00 174.62 177.64 1abb h PRO 48 N -0.95 0.00 0.01 4.92 0.13 -1.98 -1.22 132.00 132.91 1abb h PRO 48 Ca -0.46 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1abb h PRO 48 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1abb h PRO 48 CO 0.65 0.14 -0.00 -0.09 -0.23 0.00 0.00 178.00 178.46 1abb h ARG 49 N 0.00 -0.01 -0.18 0.86 2.43 -1.97 0.32 114.38 115.82 1abb h ARG 49 Ca -0.00 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.22 1abb h ARG 49 Cb 0.55 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.05 1abb h ARG 49 CO 0.02 0.30 -0.11 -0.44 -1.51 0.00 0.00 179.97 178.22 1abb h ASP 50 N -0.32 -0.36 0.51 -3.80 3.32 -1.83 0.48 116.42 114.42 1abb h ASP 50 Ca -0.00 0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.07 1abb h ASP 50 Cb 0.32 0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1abb h ASP 50 CO 0.00 -0.15 -0.31 1.88 -1.72 0.00 0.00 179.24 178.94 1abb h TYR 51 N -0.10 0.00 -0.06 4.55 0.05 -1.27 -1.51 116.97 118.63 1abb h TYR 51 Ca 0.11 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.88 1abb h TYR 51 Cb 0.26 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.00 1abb h TYR 51 CO -0.26 0.31 0.00 -0.92 -1.05 0.00 0.00 178.16 176.24 1abb h TYR 52 N 0.00 0.12 -0.73 4.88 3.20 0.37 -2.55 116.97 122.26 1abb h TYR 52 Ca -0.00 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.80 1abb h TYR 52 Cb 0.65 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.86 1abb h TYR 52 CO 0.00 0.38 0.28 0.74 -1.64 0.00 0.00 178.16 177.92 1abb h PHE 53 N -0.17 1.12 0.00 -3.82 0.04 -0.12 -1.40 116.94 112.59 1abb h PHE 53 Ca 0.02 -0.08 -0.06 0.00 2.80 0.00 0.00 57.97 60.64 1abb h PHE 53 Cb 0.33 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 1abb h PHE 53 CO 0.03 0.86 -0.31 0.00 -0.60 0.00 0.00 178.31 178.29 1abb h ALA 54 N 1.23 1.41 -0.25 2.45 0.00 -1.03 -0.75 119.26 122.33 1abb h ALA 54 Ca 0.24 -0.28 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 1abb h ALA 54 Cb 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1abb h ALA 54 CO -0.02 0.38 -0.59 1.25 0.00 0.00 0.00 179.25 180.27 1abb h LEU 55 N 0.00 0.95 0.03 0.00 5.85 -1.22 -0.37 115.31 120.55 1abb h LEU 55 Ca -0.00 -0.56 0.03 0.00 0.84 0.00 0.00 57.88 58.18 1abb h LEU 55 Cb 0.57 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 1abb h LEU 55 CO 0.04 1.34 -0.43 0.00 -0.34 0.00 0.00 178.44 179.05 1abb h ALA 56 N 0.64 -0.72 -0.88 1.25 0.00 -0.03 -0.99 119.26 118.53 1abb h ALA 56 Ca -0.00 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1abb h ALA 56 Cb 1.21 0.75 -0.05 0.00 0.00 0.00 0.00 17.79 19.71 1abb h ALA 56 CO 0.13 -0.98 0.58 0.45 0.00 0.00 0.00 179.25 179.42 1abb h HIS 57 N -0.61 1.06 0.00 0.00 3.86 -1.41 0.42 115.15 118.47 1abb h HIS 57 Ca 0.04 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.25 1abb h HIS 57 Cb 0.67 -0.35 -0.00 0.00 1.06 0.00 0.00 27.41 28.78 1abb h HIS 57 CO -0.42 0.62 -0.12 1.15 0.86 0.00 0.00 177.93 180.02 1abb h THR 58 N 1.10 0.87 0.12 2.45 2.02 0.27 -1.37 112.91 118.37 1abb h THR 58 Ca 0.35 -0.46 -0.33 0.00 0.77 0.00 0.00 66.41 66.74 1abb h THR 58 Cb 0.01 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1abb h THR 58 CO -0.10 0.12 -1.73 0.58 0.37 0.00 0.00 175.52 174.76 1abb h VAL 59 N 0.00 0.82 -0.76 3.16 2.07 -0.73 -3.35 116.25 117.46 1abb h VAL 59 Ca -0.00 -2.37 0.14 0.00 0.82 0.00 0.00 66.70 65.29 1abb h VAL 59 Cb 0.25 2.58 -0.09 0.00 -1.52 0.00 0.00 31.29 32.51 1abb h VAL 59 CO 0.02 0.78 0.31 -0.09 0.02 0.00 0.00 177.57 178.61 1abb h ARG 60 N -0.13 0.45 -0.90 1.57 2.43 -0.51 0.18 114.38 117.48 1abb h ARG 60 Ca -0.37 -0.03 0.18 0.00 -0.81 0.00 0.00 59.98 58.95 1abb h ARG 60 Cb 1.90 -0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 31.28 1abb h ARG 60 CO 0.07 0.30 0.59 -0.44 -1.51 0.00 0.00 179.97 178.97 1abb h ASP 61 N 0.46 0.51 0.89 -3.80 3.32 -1.40 0.35 116.42 116.77 1abb h ASP 61 Ca 0.41 0.05 -0.08 0.00 0.02 0.00 0.00 57.03 57.43 1abb h ASP 61 Cb 0.61 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 1abb h ASP 61 CO -0.39 0.22 -0.36 0.45 -1.72 0.00 0.00 179.24 177.44 1abb h HIS 62 N 0.52 0.00 0.25 4.55 3.86 -1.15 -2.55 115.15 120.63 1abb h HIS 62 Ca 0.47 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.67 1abb h HIS 62 Cb 1.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.47 1abb h HIS 62 CO -0.00 0.36 -0.12 -0.07 0.86 0.00 0.00 177.93 178.96 1abb h LEU 63 N 0.00 -0.28 -1.89 2.43 3.38 -0.11 -3.20 115.31 115.63 1abb h LEU 63 Ca -0.00 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1abb h LEU 63 Cb 0.91 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1abb h LEU 63 CO 0.05 -0.09 0.13 -0.37 0.09 0.00 0.00 178.44 178.24 1abb h VAL 64 N -0.55 0.98 -0.88 1.22 -1.51 -1.15 -0.58 116.25 113.78 1abb h VAL 64 Ca -0.03 -0.05 0.08 0.00 -1.23 0.00 0.00 66.70 65.47 1abb h VAL 64 Cb 0.25 0.83 -0.06 0.00 -2.13 0.00 0.00 31.29 30.18 1abb h VAL 64 CO 0.06 0.03 0.57 1.23 -1.23 0.00 0.00 177.57 178.22 1abb h GLY 65 N 0.14 1.27 0.76 5.19 0.00 -1.54 -0.37 103.07 108.52 1abb h GLY 65 Ca 0.08 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1abb h GLY 65 CO -0.01 0.24 -0.76 0.54 0.00 0.00 0.00 176.54 176.55 1abb n ARG 66 N -4.51 0.14 -0.10 4.80 1.74 -0.33 -2.83 116.66 115.56 1abb n ARG 66 Ca 0.14 0.01 -0.11 0.00 -0.77 0.00 0.00 57.85 57.12 1abb n ARG 66 Cb 0.26 -1.56 -0.04 0.00 -1.02 0.00 0.00 32.46 30.11 1abb n ARG 66 CO 0.00 0.00 0.00 2.35 -1.52 0.00 0.00 177.63 178.46 1abb h TRP 67 N 0.00 0.59 0.00 -1.55 7.01 -0.05 0.78 115.95 122.73 1abb h TRP 67 Ca 0.00 -0.11 0.00 0.00 2.11 0.00 0.00 58.89 60.89 1abb h TRP 67 Cb 0.61 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 27.52 1abb h TRP 67 CO 0.00 0.70 0.00 -0.89 -2.79 0.00 0.00 178.44 175.46 1abb n ILE 68 N -4.54 0.00 -0.31 2.65 2.08 -0.30 -0.87 119.36 118.07 1abb n ILE 68 Ca -0.03 0.00 0.12 0.00 0.56 0.00 0.00 62.75 63.40 1abb n ILE 68 Cb 0.28 0.00 0.29 0.00 -0.75 0.00 0.00 39.64 39.46 1abb n ILE 68 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 1abb h ARG 69 N 0.00 0.54 -0.06 0.38 2.47 -1.27 0.27 114.38 116.70 1abb h ARG 69 Ca 0.00 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.68 1abb h ARG 69 Cb 0.00 -0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 28.20 1abb h ARG 69 CO 0.00 0.36 -0.00 1.15 0.56 0.00 0.00 179.97 182.04 1abb h THR 70 N 0.56 1.25 0.00 2.04 2.02 0.54 -1.90 112.91 117.42 1abb h THR 70 Ca 0.54 -0.78 -0.07 0.00 0.77 0.00 0.00 66.41 66.87 1abb h THR 70 Cb 0.91 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.96 1abb h THR 70 CO -0.44 0.21 -0.33 1.56 0.37 0.00 0.00 175.52 176.89 1abb h GLN 71 N -0.18 0.00 -0.16 6.66 1.08 0.11 -0.11 115.11 122.51 1abb h GLN 71 Ca 0.02 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.15 1abb h GLN 71 Cb 0.34 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.77 1abb h GLN 71 CO 0.00 0.33 -0.15 1.96 -0.95 0.00 0.00 178.83 180.03 1abb h GLN 72 N 0.00 0.39 -0.47 1.46 4.20 -0.43 -2.50 115.11 117.75 1abb h GLN 72 Ca -0.00 -0.20 0.06 0.00 0.06 0.00 0.00 58.65 58.56 1abb h GLN 72 Cb 0.96 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.69 1abb h GLN 72 CO 0.04 0.75 0.19 1.25 -0.67 0.00 0.00 178.83 180.39 1abb h HIS 73 N 0.03 0.33 0.00 2.96 6.17 -0.93 0.18 115.15 123.90 1abb h HIS 73 Ca 0.03 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.12 1abb h HIS 73 Cb 0.67 -0.08 -0.00 0.00 2.52 0.00 0.00 27.41 30.52 1abb h HIS 73 CO 0.08 0.13 -0.05 1.88 0.71 0.00 0.00 177.93 180.68 1abb h TYR 74 N 0.37 0.00 0.15 5.26 0.05 -0.89 -1.28 116.97 120.64 1abb h TYR 74 Ca 0.22 0.00 -0.28 0.00 0.05 0.00 0.00 58.73 58.72 1abb h TYR 74 Cb 0.20 0.00 0.03 0.00 1.01 0.00 0.00 36.73 37.97 1abb h TYR 74 CO -0.14 0.05 -1.18 1.88 -1.05 0.00 0.00 178.16 177.71 1abb h TYR 75 N 0.00 0.91 -0.27 4.88 -1.99 -0.27 -1.68 116.97 118.55 1abb h TYR 75 Ca -0.00 -0.60 -0.03 0.00 2.00 0.00 0.00 58.73 60.10 1abb h TYR 75 Cb 0.44 -0.06 -0.01 0.00 2.00 0.00 0.00 36.73 39.10 1abb h TYR 75 CO 0.00 1.45 0.07 0.93 -0.00 0.00 0.00 178.16 180.61 1abb h GLU 76 N 0.11 0.43 0.00 4.88 4.39 -0.88 -2.88 114.58 120.63 1abb h GLU 76 Ca -0.19 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.41 1abb h GLU 76 Cb 1.89 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 30.48 1abb h GLU 76 CO 0.23 0.52 0.00 -0.22 -1.16 0.00 0.00 179.01 178.37 1abb h LYS 77 N 0.27 0.00 -6.56 2.33 1.63 -1.35 -3.49 116.57 109.41 1abb h LYS 77 Ca 0.09 0.00 -0.43 0.00 -0.85 0.00 0.00 60.65 59.45 1abb h LYS 77 Cb 0.27 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.90 1abb h LYS 77 CO -0.00 0.00 -0.94 -3.47 -3.45 0.00 0.00 179.45 171.59 1abb n ASP 78 N -3.06 -3.99 -4.84 4.20 2.03 -0.63 -5.00 116.55 105.26 1abb n ASP 78 Ca 0.02 -0.86 -0.25 0.00 0.52 0.00 0.00 54.79 54.21 1abb n ASP 78 Cb 0.37 -1.34 0.08 0.00 -0.72 0.00 0.00 41.12 39.51 1abb n ASP 78 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1abb s PRO 79 N -4.77 2.05 0.06 -0.67 0.04 -1.26 -5.00 135.00 125.46 1abb s PRO 79 Ca 0.04 -0.41 -0.31 0.00 0.04 0.00 0.00 61.00 60.36 1abb s PRO 79 Cb -0.02 -2.19 -0.07 0.00 0.04 0.00 0.00 34.50 32.25 1abb s PRO 79 CO 0.77 -1.31 1.51 0.21 0.04 0.00 0.00 177.00 178.23 1abb s LYS 80 N -5.24 4.25 -0.03 4.56 2.20 -1.26 -4.91 119.74 119.30 1abb s LYS 80 Ca 0.62 2.17 0.02 0.00 -0.36 0.00 0.00 55.97 58.42 1abb s LYS 80 Cb -0.10 -3.48 0.01 0.00 -1.51 0.00 0.00 37.83 32.75 1abb s LYS 80 CO 0.45 -0.61 -0.09 1.03 -0.36 0.00 0.00 175.35 175.76 1abb s ARG 81 N 2.13 1.05 -0.08 4.03 0.52 -1.16 -3.95 118.95 121.48 1abb s ARG 81 Ca 0.68 -0.31 0.05 0.00 -0.52 0.00 0.00 55.73 55.63 1abb s ARG 81 Cb -0.37 -0.96 -0.01 0.00 0.52 0.00 0.00 34.95 34.13 1abb s ARG 81 CO 0.30 0.10 -0.23 -1.50 0.02 0.00 0.00 175.30 173.98 1abb s ILE 82 N 0.29 2.18 -0.32 1.52 -1.16 0.22 -1.95 121.20 121.97 1abb s ILE 82 Ca -0.05 -1.00 -0.07 0.00 -0.51 0.00 0.00 60.65 59.02 1abb s ILE 82 Cb -0.10 -1.82 0.02 0.00 0.61 0.00 0.00 42.46 41.18 1abb s ILE 82 CO 0.01 0.56 0.10 -0.31 -2.81 0.00 0.00 174.94 172.49 1abb s TYR 83 N 0.04 3.20 -0.71 3.50 2.02 0.13 -0.09 117.35 125.44 1abb s TYR 83 Ca -0.09 -1.17 -0.19 0.00 -0.37 0.00 0.00 57.07 55.25 1abb s TYR 83 Cb -0.15 -2.28 0.12 0.00 -0.40 0.00 0.00 41.96 39.25 1abb s TYR 83 CO 0.06 -0.65 0.84 -0.47 -1.57 0.00 0.00 175.55 173.76 1abb s TYR 84 N 1.46 3.09 -0.11 2.71 5.04 0.11 -0.52 117.35 129.13 1abb s TYR 84 Ca 0.01 -1.15 -0.19 0.00 -2.44 0.00 0.00 57.07 53.30 1abb s TYR 84 Cb -0.18 -4.08 -0.04 0.00 0.35 0.00 0.00 41.96 38.00 1abb s TYR 84 CO 0.03 -1.34 0.51 -0.51 -1.34 0.00 0.00 175.55 172.89 1abb s LEU 85 N 2.52 4.29 -0.20 6.97 1.43 -1.04 -2.44 118.68 130.21 1abb s LEU 85 Ca 0.18 0.87 -0.22 0.00 -1.03 0.00 0.00 54.13 53.93 1abb s LEU 85 Cb -0.17 -2.75 0.06 0.00 0.03 0.00 0.00 46.19 43.36 1abb s LEU 85 CO 0.01 -0.00 0.61 -0.55 0.23 0.00 0.00 176.35 176.64 1abb s SER 86 N 0.58 -0.62 -0.21 2.29 0.15 -1.20 -2.35 113.70 112.34 1abb s SER 86 Ca 0.27 1.11 0.03 0.00 0.70 0.00 0.00 55.95 58.06 1abb s SER 86 Cb -0.16 1.11 0.35 0.00 -1.71 0.00 0.00 66.02 65.62 1abb s SER 86 CO 0.11 -0.28 1.41 -0.11 1.20 0.00 0.00 173.24 175.58 1abb n LEU 87 N 2.43 4.66 -3.51 3.45 7.94 -1.26 -4.28 117.00 126.42 1abb n LEU 87 Ca -0.15 -2.43 0.01 0.00 -1.11 0.00 0.00 56.01 52.33 1abb n LEU 87 Cb 0.56 -0.66 -0.05 0.00 0.53 0.00 0.00 43.42 43.80 1abb n LEU 87 CO 0.10 0.72 0.79 -0.70 -1.11 0.00 0.00 177.39 177.19 1abb s GLU 88 N -1.70 0.21 -0.26 1.96 2.12 -1.26 -4.80 118.70 114.96 1abb s GLU 88 Ca 0.29 0.42 -0.01 0.00 0.36 0.00 0.00 54.97 56.03 1abb s GLU 88 Cb 0.24 0.14 0.08 0.00 0.26 0.00 0.00 34.13 34.85 1abb s GLU 88 CO 0.06 -0.05 0.04 -0.06 -0.54 0.00 0.00 175.26 174.70 1abb s PHE 89 N 1.65 1.85 -0.93 5.30 0.40 -1.19 -4.17 117.98 120.89 1abb s PHE 89 Ca -0.06 -1.59 -0.18 0.00 -0.60 0.00 0.00 56.93 54.50 1abb s PHE 89 Cb -0.03 -1.58 0.14 0.00 0.51 0.00 0.00 43.02 42.06 1abb s PHE 89 CO -0.14 -0.78 1.09 -0.47 0.70 0.00 0.00 175.22 175.62 1abb s TYR 90 N 1.57 3.21 -0.20 0.36 5.04 -0.29 -3.14 117.35 123.91 1abb s TYR 90 Ca 0.03 -1.49 -0.22 0.00 -2.44 0.00 0.00 57.07 52.95 1abb s TYR 90 Cb -0.18 -4.23 -0.19 0.00 0.35 0.00 0.00 41.96 37.72 1abb s TYR 90 CO -0.14 -1.42 0.25 0.52 -1.34 0.00 0.00 175.55 173.41 1abb h MET 91 N 8.65 0.00 -4.10 4.97 2.86 -1.86 -3.41 114.93 122.04 1abb h MET 91 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1abb h MET 91 Cb 1.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.68 1abb h MET 91 CO 1.07 0.94 -0.91 0.41 1.06 0.00 0.00 176.91 179.47 1abb n GLY 92 N 1.47 -5.20 0.22 8.32 0.00 -1.25 -4.88 105.19 103.86 1abb n GLY 92 Ca -0.28 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1abb n GLY 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1abb n ARG 93 N 1.33 0.00 -0.06 1.61 1.74 -1.26 -4.71 116.66 115.31 1abb n ARG 93 Ca 0.00 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.03 1abb n ARG 93 Cb 0.00 -0.07 -0.11 0.00 -1.02 0.00 0.00 32.46 31.26 1abb n ARG 93 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1abb n THR 94 N 0.67 0.84 0.00 0.55 -1.04 -1.26 -4.55 114.28 109.49 1abb n THR 94 Ca 0.00 -0.56 0.00 0.00 -2.04 0.00 0.00 64.05 61.45 1abb n THR 94 Cb 0.00 -0.54 0.00 0.00 -1.82 0.00 0.00 70.33 67.97 1abb n THR 94 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1abb n LEU 95 N -2.46 0.00 -0.32 -4.42 0.00 -1.26 -0.03 117.00 108.52 1abb n LEU 95 Ca -0.20 0.87 0.07 0.00 0.00 0.00 0.00 56.01 56.75 1abb n LEU 95 Cb 0.89 -0.37 0.26 0.00 0.00 0.00 0.00 43.42 44.20 1abb n LEU 95 CO 0.30 -0.37 1.24 -0.61 0.00 0.00 0.00 177.39 177.94 1abb h GLN 96 N 0.00 0.93 -0.73 1.96 4.15 -1.97 0.52 115.11 119.97 1abb h GLN 96 Ca 0.00 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.34 1abb h GLN 96 Cb 0.00 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 27.45 1abb h GLN 96 CO 0.00 0.62 0.36 -0.97 -1.93 0.00 0.00 178.83 176.90 1abb h ASN 97 N 0.96 0.95 -0.35 -0.69 -0.73 -1.71 0.17 115.58 114.17 1abb h ASN 97 Ca 0.44 -0.13 -0.13 0.00 1.87 0.00 0.00 56.30 58.35 1abb h ASN 97 Cb 0.40 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 38.73 1abb h ASN 97 CO -0.20 0.81 -0.28 0.74 -0.37 0.00 0.00 177.43 178.12 1abb h THR 98 N 1.02 1.27 0.19 -3.57 2.02 0.36 -2.10 112.91 112.10 1abb h THR 98 Ca 0.25 -1.44 -0.01 0.00 0.77 0.00 0.00 66.41 65.99 1abb h THR 98 Cb 0.10 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1abb h THR 98 CO -0.03 0.48 -0.09 0.24 0.37 0.00 0.00 175.52 176.49 1abb h MET 99 N 0.74 -0.25 -0.43 6.66 2.86 0.21 -0.97 114.93 123.74 1abb h MET 99 Ca 0.09 0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.79 1abb h MET 99 Cb 0.84 0.06 -0.05 0.00 0.06 0.00 0.00 31.60 32.51 1abb h MET 99 CO 0.07 0.05 0.16 -0.39 1.06 0.00 0.00 176.91 177.86 1abb h VAL 100 N -0.55 0.88 0.00 -2.22 -1.51 -0.74 0.59 116.25 112.70 1abb h VAL 100 Ca -0.03 -0.11 -0.04 0.00 -1.23 0.00 0.00 66.70 65.29 1abb h VAL 100 Cb 0.41 0.51 -0.01 0.00 -2.13 0.00 0.00 31.29 30.08 1abb h VAL 100 CO 0.04 0.06 -0.20 0.78 -1.23 0.00 0.00 177.57 177.03 1abb h ASN 101 N 0.33 0.00 -0.20 4.19 4.21 -1.31 0.72 115.58 123.52 1abb h ASN 101 Ca 0.20 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.71 1abb h ASN 101 Cb 0.18 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.38 1abb h ASN 101 CO -0.20 0.20 0.00 0.18 -1.29 0.00 0.00 177.43 176.32 1abb n LEU 102 N -3.90 2.73 0.00 1.61 4.32 0.59 -1.97 117.00 120.38 1abb n LEU 102 Ca -0.02 -1.08 0.00 0.00 -0.02 0.00 0.00 56.01 54.89 1abb n LEU 102 Cb 0.29 -0.13 0.00 0.00 -1.62 0.00 0.00 43.42 41.96 1abb n LEU 102 CO 0.34 0.54 0.00 0.00 -1.22 0.00 0.00 177.39 177.04 1abb n ALA 103 N 1.05 0.00 1.11 -1.18 0.00 0.17 -4.87 120.51 116.80 1abb n ALA 103 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1abb n ALA 103 Cb 0.52 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.39 1abb n ALA 103 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1abb n LEU 104 N 0.00 0.08 -0.01 0.00 4.32 -0.85 -4.40 117.00 116.13 1abb n LEU 104 Ca 0.00 -0.04 -0.11 0.00 -0.02 0.00 0.00 56.01 55.84 1abb n LEU 104 Cb 0.00 -0.04 0.02 0.00 -1.62 0.00 0.00 43.42 41.78 1abb n LEU 104 CO 0.00 0.02 0.44 -0.08 -1.22 0.00 0.00 177.39 176.56 1abb h GLU 105 N 0.06 0.64 0.82 3.23 4.81 -1.88 -2.58 114.58 119.67 1abb h GLU 105 Ca 0.00 -0.42 -0.04 0.00 -0.13 0.00 0.00 59.36 58.77 1abb h GLU 105 Cb 0.04 0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.48 1abb h GLU 105 CO 0.00 1.04 -0.39 -0.91 -0.73 0.00 0.00 179.01 178.01 1abb h ASN 106 N 0.48 -0.93 0.14 1.04 4.21 -1.95 -1.29 115.58 117.28 1abb h ASN 106 Ca 0.00 0.03 -0.04 0.00 1.21 0.00 0.00 56.30 57.50 1abb h ASN 106 Cb 1.14 0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 38.58 1abb h ASN 106 CO 0.11 -0.63 -0.17 0.00 -1.29 0.00 0.00 177.43 175.45 1abb h ALA 107 N -1.43 1.63 -0.27 -0.83 0.00 -1.85 -2.02 119.26 114.49 1abb h ALA 107 Ca -0.11 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 1abb h ALA 107 Cb 0.84 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1abb h ALA 107 CO 0.18 0.27 -0.18 0.00 0.00 0.00 0.00 179.25 179.53 1abb h ASP 109 N 0.33 -0.01 -0.55 0.00 3.58 -0.78 0.12 116.42 119.11 1abb h ASP 109 Ca 0.05 -0.07 0.07 0.00 0.42 0.00 0.00 57.03 57.50 1abb h ASP 109 Cb 0.72 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.71 1abb h ASP 109 CO 0.05 0.07 0.23 -0.08 -2.88 0.00 0.00 179.24 176.63 1abb h GLU 110 N -0.08 0.42 0.08 0.28 4.57 -1.37 0.39 114.58 118.87 1abb h GLU 110 Ca -0.00 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.18 1abb h GLU 110 Cb 0.08 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.53 1abb h GLU 110 CO 0.00 0.28 -0.28 0.00 -1.18 0.00 0.00 179.01 177.83 1abb h ALA 111 N 1.35 -0.46 0.00 2.92 0.00 -0.34 0.17 119.26 122.91 1abb h ALA 111 Ca 0.26 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1abb h ALA 111 Cb 0.26 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1abb h ALA 111 CO -0.24 -0.81 -0.12 1.79 0.00 0.00 0.00 179.25 179.87 1abb h THR 112 N -0.48 0.38 -0.14 0.00 1.35 -0.14 0.78 112.91 114.66 1abb h THR 112 Ca 0.04 -0.72 -0.04 0.00 -0.55 0.00 0.00 66.41 65.14 1abb h THR 112 Cb 0.52 1.53 -0.00 0.00 -1.73 0.00 0.00 68.15 68.47 1abb h THR 112 CO -0.19 0.12 -0.07 0.22 -0.25 0.00 0.00 175.52 175.35 1abb h TYR 113 N 0.00 0.33 -0.41 4.73 3.20 0.15 0.30 116.97 125.27 1abb h TYR 113 Ca -0.00 -0.08 -0.06 0.00 3.14 0.00 0.00 58.73 61.73 1abb h TYR 113 Cb 0.52 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 1abb h TYR 113 CO 0.00 0.62 0.00 1.96 -1.64 0.00 0.00 178.16 179.10 1abb h GLN 114 N -0.06 0.66 0.00 1.82 4.20 0.11 -0.46 115.11 121.38 1abb h GLN 114 Ca 0.03 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.58 1abb h GLN 114 Cb 0.53 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1abb h GLN 114 CO 0.02 0.68 0.00 -0.07 -0.67 0.00 0.00 178.83 178.79 1abb h LEU 115 N 0.63 0.00 -1.63 1.46 3.38 -0.35 -3.46 115.31 115.34 1abb h LEU 115 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1abb h LEU 115 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1abb h LEU 115 CO 0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.15 1abb n GLY 116 N 0.31 0.60 3.27 0.83 0.00 0.88 -5.07 105.19 106.01 1abb n GLY 116 Ca 0.02 -0.51 -0.24 0.00 0.00 0.00 0.00 46.02 45.28 1abb n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1abb s LEU 117 N -1.63 2.27 -0.23 0.99 1.43 -0.14 -5.05 118.68 116.31 1abb s LEU 117 Ca 0.00 -0.64 -0.10 0.00 -1.03 0.00 0.00 54.13 52.36 1abb s LEU 117 Cb 0.00 -0.89 -0.05 0.00 0.03 0.00 0.00 46.19 45.28 1abb s LEU 117 CO 0.00 0.08 0.14 -0.62 0.23 0.00 0.00 176.35 176.18 1abb s ASP 118 N -1.73 5.99 0.09 2.29 2.15 -1.26 -3.97 116.67 120.22 1abb s ASP 118 Ca 0.06 0.08 -0.16 0.00 0.43 0.00 0.00 52.55 52.96 1abb s ASP 118 Cb -0.10 -2.08 -0.09 0.00 -0.30 0.00 0.00 42.92 40.36 1abb s ASP 118 CO 0.04 0.07 1.42 -0.03 -0.17 0.00 0.00 175.17 176.50 1abb h MET 119 N 7.49 0.60 -0.68 4.34 1.85 -1.90 -2.84 114.93 123.78 1abb h MET 119 Ca -0.38 -0.29 0.12 0.00 -0.61 0.00 0.00 59.70 58.54 1abb h MET 119 Cb 1.17 -0.00 -0.09 0.00 0.43 0.00 0.00 31.60 33.11 1abb h MET 119 CO 0.65 0.88 0.25 0.93 -0.40 0.00 0.00 176.91 179.23 1abb h GLU 120 N 0.33 0.40 -1.00 0.39 5.08 -1.99 0.46 114.58 118.25 1abb h GLU 120 Ca 0.05 -0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.54 1abb h GLU 120 Cb 0.74 -0.09 -0.09 0.00 0.50 0.00 0.00 28.75 29.81 1abb h GLU 120 CO 0.05 0.27 0.62 0.93 -1.00 0.00 0.00 179.01 179.88 1abb h GLU 121 N 0.41 0.84 0.27 2.33 4.39 -1.93 -2.64 114.58 118.25 1abb h GLU 121 Ca 0.36 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 60.00 1abb h GLU 121 Cb 0.51 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1abb h GLU 121 CO -0.37 0.55 -0.13 -0.07 -1.16 0.00 0.00 179.01 177.83 1abb h LEU 122 N 0.86 -0.31 -1.95 1.33 3.38 -0.04 -3.19 115.31 115.38 1abb h LEU 122 Ca 0.53 -0.22 0.13 0.00 0.09 0.00 0.00 57.88 58.41 1abb h LEU 122 Cb 0.70 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 1abb h LEU 122 CO -0.31 0.14 0.47 -0.33 0.09 0.00 0.00 178.44 178.50 1abb h GLU 123 N -0.87 0.00 -0.30 1.13 5.08 -0.31 0.98 114.58 120.29 1abb h GLU 123 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1abb h GLU 123 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1abb h GLU 123 CO 0.06 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.46 1abb n GLU 124 N -3.72 1.33 0.04 2.33 -0.58 -1.10 -3.40 120.64 115.53 1abb n GLU 124 Ca 0.08 -0.41 0.04 0.00 -0.42 0.00 0.00 57.16 56.45 1abb n GLU 124 Cb 0.65 -1.21 -0.08 0.00 -0.57 0.00 0.00 31.44 30.24 1abb n GLU 124 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1abb n ILE 125 N -0.12 0.84 -2.07 -3.67 2.08 0.34 -4.88 119.36 111.87 1abb n ILE 125 Ca 0.04 -0.63 -0.41 0.00 0.56 0.00 0.00 62.75 62.31 1abb n ILE 125 Cb 0.16 -0.47 -0.02 0.00 -0.75 0.00 0.00 39.64 38.56 1abb n ILE 125 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 1abb s GLU 126 N -3.12 4.32 0.22 0.38 2.12 -1.22 -4.95 118.70 116.44 1abb s GLU 126 Ca -0.04 2.25 -0.19 0.00 0.36 0.00 0.00 54.97 57.36 1abb s GLU 126 Cb 0.10 -3.08 -0.08 0.00 0.26 0.00 0.00 34.13 31.32 1abb s GLU 126 CO 0.82 -0.28 0.71 -1.21 -0.54 0.00 0.00 175.26 174.76 1abb s GLU 127 N -1.30 4.22 -0.49 4.30 0.41 -1.26 -4.93 118.70 119.64 1abb s GLU 127 Ca 0.53 0.83 -0.28 0.00 -0.41 0.00 0.00 54.97 55.63 1abb s GLU 127 Cb -0.41 -2.87 0.00 0.00 -1.78 0.00 0.00 34.13 29.08 1abb s GLU 127 CO 0.50 0.39 1.53 -0.51 -0.49 0.00 0.00 175.26 176.68 1abb s ASP 128 N -1.68 6.03 -0.93 -0.19 1.11 -1.26 -4.10 116.67 115.65 1abb s ASP 128 Ca 0.43 0.58 -0.17 0.00 0.18 0.00 0.00 52.55 53.57 1abb s ASP 128 Cb -0.16 -2.54 -0.27 0.00 1.07 0.00 0.00 42.92 41.02 1abb s ASP 128 CO 0.21 -1.73 2.32 0.00 1.18 0.00 0.00 175.17 177.15 1abb n ALA 129 N 9.90 0.81 -0.82 5.23 0.00 -1.26 -4.74 120.51 129.64 1abb n ALA 129 Ca 0.16 -0.82 -0.29 0.00 0.00 0.00 0.00 53.44 52.49 1abb n ALA 129 Cb 0.49 -2.57 -0.03 0.00 0.00 0.00 0.00 19.45 17.33 1abb n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1abb n GLY 130 N 5.95 2.71 0.00 0.00 0.00 -1.26 -3.84 105.19 108.75 1abb n GLY 130 Ca 0.62 -0.93 0.05 0.00 0.00 0.00 0.00 46.02 45.76 1abb n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1abb n LEU 131 N 5.63 0.47 -4.45 0.99 7.99 -1.26 -3.29 117.00 123.08 1abb n LEU 131 Ca 0.43 -0.43 -0.24 0.00 -0.01 0.00 0.00 56.01 55.75 1abb n LEU 131 Cb 0.23 0.00 -0.08 0.00 -0.11 0.00 0.00 43.42 43.46 1abb n LEU 131 CO 0.83 0.12 -0.16 -0.83 -1.51 0.00 0.00 177.39 175.83 1abb s GLY 132 N -2.25 2.57 0.00 -0.72 0.00 -1.19 -3.17 107.32 102.57 1abb s GLY 132 Ca 0.03 -1.44 0.00 0.00 0.00 0.00 0.00 44.72 43.32 1abb s GLY 132 CO 0.47 -1.73 0.00 -2.01 0.00 0.00 0.00 173.10 169.84 1abb n ASN 133 N -1.43 0.00 0.00 1.64 5.15 -1.26 -4.66 115.26 114.70 1abb n ASN 133 Ca -0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.96 1abb n ASN 133 Cb 0.64 0.08 0.00 0.00 -0.53 0.00 0.00 39.78 39.97 1abb n ASN 133 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1abb n GLY 134 N 1.01 4.58 0.14 8.20 0.00 -1.26 -5.02 105.19 112.84 1abb n GLY 134 Ca 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 46.02 44.98 1abb n GLY 134 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1abb h GLY 135 N 0.00 -1.87 -0.80 -0.02 0.00 -2.01 0.19 103.07 98.55 1abb h GLY 135 Ca 0.00 0.91 0.24 0.00 0.00 0.00 0.00 47.33 48.48 1abb h GLY 135 CO 0.00 -0.62 0.09 -0.10 0.00 0.00 0.00 176.54 175.91 1abb n LEU 136 N -3.60 -0.03 -0.01 3.11 -0.00 -1.26 0.10 117.00 115.30 1abb n LEU 136 Ca -0.00 1.35 -0.17 0.00 -0.00 0.00 0.00 56.01 57.18 1abb n LEU 136 Cb 0.09 -0.52 -0.09 0.00 -0.00 0.00 0.00 43.42 42.91 1abb n LEU 136 CO -0.02 -1.39 0.28 1.23 -0.00 0.00 0.00 177.39 177.49 1abb h GLY 137 N 0.00 0.69 1.84 -3.96 0.00 -0.92 -2.96 103.07 97.75 1abb h GLY 137 Ca 0.52 -1.03 -0.07 0.00 0.00 0.00 0.00 47.33 46.74 1abb h GLY 137 CO -0.73 0.92 -0.27 -0.09 0.00 0.00 0.00 176.54 176.37 1abb h ARG 138 N 0.27 0.19 -0.31 4.80 9.65 0.32 -0.64 114.38 128.66 1abb h ARG 138 Ca -0.06 -0.06 -0.03 0.00 -1.10 0.00 0.00 59.98 58.73 1abb h ARG 138 Cb 1.33 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.88 1abb h ARG 138 CO 0.14 0.46 0.09 1.25 2.80 0.00 0.00 179.97 184.70 1abb h LEU 139 N 0.17 0.46 -1.66 3.80 5.85 -1.33 0.18 115.31 122.78 1abb h LEU 139 Ca 0.03 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.58 1abb h LEU 139 Cb 0.58 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1abb h LEU 139 CO 0.04 0.55 0.30 0.00 -0.34 0.00 0.00 178.44 179.00 1abb h ALA 140 N 0.93 1.88 0.00 1.25 0.00 -1.26 -0.48 119.26 121.57 1abb h ALA 140 Ca 0.10 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.81 1abb h ALA 140 Cb 0.26 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1abb h ALA 140 CO -0.00 0.05 -0.92 0.00 0.00 0.00 0.00 179.25 178.38 1abb h ALA 141 N 1.75 0.47 -0.00 0.00 0.00 -1.12 -1.42 119.26 118.94 1abb h ALA 141 Ca 0.19 -0.82 -0.07 0.00 0.00 0.00 0.00 54.91 54.21 1abb h ALA 141 Cb 0.21 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.92 1abb h ALA 141 CO -0.05 1.10 -0.28 0.00 0.00 0.00 0.00 179.25 180.02 1abb h PHE 143 N -0.47 0.83 -0.15 0.00 -1.00 -1.15 0.56 116.94 115.56 1abb h PHE 143 Ca -0.03 0.02 -0.12 0.00 2.81 0.00 0.00 57.97 60.65 1abb h PHE 143 Cb 1.03 -0.26 -0.01 0.00 3.61 0.00 0.00 35.95 40.31 1abb h PHE 143 CO 0.18 0.34 -0.43 -0.07 -1.61 0.00 0.00 178.31 176.72 1abb h LEU 144 N 0.73 0.38 -0.62 1.54 3.38 -1.27 -1.82 115.31 117.64 1abb h LEU 144 Ca 0.42 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 58.18 1abb h LEU 144 Cb 0.61 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1abb h LEU 144 CO -0.19 0.76 0.20 -0.78 0.09 0.00 0.00 178.44 178.53 1abb h ASP 145 N 0.30 0.89 -0.48 -0.43 1.82 -0.73 -1.93 116.42 115.85 1abb h ASP 145 Ca 0.02 -0.20 -0.07 0.00 -0.39 0.00 0.00 57.03 56.39 1abb h ASP 145 Cb 0.88 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 40.63 1abb h ASP 145 CO 0.07 0.86 0.04 0.28 -1.61 0.00 0.00 179.24 178.88 1abb h SER 146 N 0.88 0.85 0.44 2.28 0.02 -1.30 -2.10 113.55 114.62 1abb h SER 146 Ca 0.20 -0.20 -0.13 0.00 -0.84 0.00 0.00 61.79 60.81 1abb h SER 146 Cb 0.28 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1abb h SER 146 CO -0.01 0.89 -0.57 0.24 -1.14 0.00 0.00 176.83 176.24 1abb h MET 147 N 0.83 0.14 0.56 3.45 2.86 -0.77 -2.47 114.93 119.54 1abb h MET 147 Ca 0.16 -0.09 -0.03 0.00 -2.06 0.00 0.00 59.70 57.69 1abb h MET 147 Cb 0.44 0.01 0.01 0.00 0.06 0.00 0.00 31.60 32.12 1abb h MET 147 CO 0.02 0.67 -0.27 0.00 1.06 0.00 0.00 176.91 178.39 1abb h ALA 148 N 1.31 -0.75 -1.09 6.32 0.00 -1.02 -1.31 119.26 122.71 1abb h ALA 148 Ca -0.00 -0.18 0.30 0.00 0.00 0.00 0.00 54.91 55.02 1abb h ALA 148 Cb 1.04 0.29 -0.10 0.00 0.00 0.00 0.00 17.79 19.03 1abb h ALA 148 CO 0.08 -0.73 0.71 1.15 0.00 0.00 0.00 179.25 180.46 1abb h THR 149 N -1.14 0.45 -1.68 0.00 2.02 -1.34 1.10 112.91 112.32 1abb h THR 149 Ca -0.08 -0.11 -0.72 0.00 0.77 0.00 0.00 66.41 66.28 1abb h THR 149 Cb 0.62 0.10 -0.30 0.00 -1.74 0.00 0.00 68.15 66.82 1abb h THR 149 CO 0.13 0.06 0.68 0.18 0.37 0.00 0.00 175.52 176.93 1abb n LEU 150 N -4.62 7.03 -1.91 2.58 4.77 -0.93 -4.38 117.00 119.53 1abb n LEU 150 Ca 0.27 -4.79 0.00 0.00 -0.03 0.00 0.00 56.01 51.46 1abb n LEU 150 Cb 0.99 -0.93 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1abb n LEU 150 CO 0.25 1.79 0.00 0.61 -1.33 0.00 0.00 177.39 178.72 1abb n GLY 151 N -0.61 0.00 3.91 -0.72 0.00 0.38 -4.06 105.19 104.09 1abb n GLY 151 Ca 0.53 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.26 1abb n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1abb s LEU 152 N -2.35 4.16 -1.28 0.99 1.43 -0.50 -4.79 118.68 116.34 1abb s LEU 152 Ca 0.00 0.59 -0.14 0.00 -1.03 0.00 0.00 54.13 53.56 1abb s LEU 152 Cb 0.00 -3.37 0.13 0.00 0.03 0.00 0.00 46.19 42.98 1abb s LEU 152 CO 0.00 -0.09 1.72 0.00 0.23 0.00 0.00 176.35 178.21 1abb n ALA 153 N -0.60 4.39 -2.78 4.21 0.00 -1.25 -4.79 120.51 119.68 1abb n ALA 153 Ca -0.03 -4.13 -0.35 0.00 0.00 0.00 0.00 53.44 48.94 1abb n ALA 153 Cb 0.53 -3.22 -0.10 0.00 0.00 0.00 0.00 19.45 16.66 1abb n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1abb s ALA 154 N 2.08 3.28 -0.11 0.00 0.00 -1.26 -0.61 121.76 125.14 1abb s ALA 154 Ca 0.45 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.65 1abb s ALA 154 Cb 0.04 -1.62 -0.01 0.00 0.00 0.00 0.00 23.12 21.53 1abb s ALA 154 CO 0.01 0.41 -0.19 0.71 0.00 0.00 0.00 175.76 176.70 1abb s TYR 155 N -0.33 2.66 -0.19 0.00 2.02 0.87 -4.13 117.35 118.24 1abb s TYR 155 Ca 0.07 -0.84 -0.14 0.00 -0.37 0.00 0.00 57.07 55.78 1abb s TYR 155 Cb -0.12 -1.76 -0.04 0.00 -0.40 0.00 0.00 41.96 39.64 1abb s TYR 155 CO 0.02 -0.31 0.33 0.20 -1.57 0.00 0.00 175.55 174.22 1abb s GLY 156 N 0.29 2.11 0.10 0.71 0.00 -0.93 0.07 107.32 109.67 1abb s GLY 156 Ca -0.14 -0.56 0.09 0.00 0.00 0.00 0.00 44.72 44.10 1abb s GLY 156 CO 0.07 0.63 -0.18 -0.19 0.00 0.00 0.00 173.10 173.43 1abb s TYR 157 N 1.00 2.55 0.00 1.90 1.51 -1.02 -0.33 117.35 122.96 1abb s TYR 157 Ca 0.16 -0.26 0.00 0.00 -1.01 0.00 0.00 57.07 55.97 1abb s TYR 157 Cb -0.14 -1.37 0.00 0.00 -0.11 0.00 0.00 41.96 40.34 1abb s TYR 157 CO 0.06 0.36 0.00 0.41 -1.11 0.00 0.00 175.55 175.27 1abb n GLY 158 N 0.94 0.30 3.91 0.71 0.00 -1.12 -3.26 105.19 106.67 1abb n GLY 158 Ca -0.16 -1.16 -0.28 0.00 0.00 0.00 0.00 46.02 44.43 1abb n GLY 158 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1abb s ILE 159 N -2.00 3.30 -0.18 -0.61 1.01 -1.26 -0.64 121.20 120.82 1abb s ILE 159 Ca 0.00 0.11 -0.03 0.00 0.00 0.00 0.00 60.65 60.73 1abb s ILE 159 Cb 0.00 -3.37 -0.02 0.00 0.01 0.00 0.00 42.46 39.08 1abb s ILE 159 CO 0.00 -0.42 -0.05 -0.60 0.00 0.00 0.00 174.94 173.87 1abb s ARG 160 N -5.18 3.51 -0.17 2.79 3.52 0.19 -4.58 118.95 119.04 1abb s ARG 160 Ca 0.57 -0.59 -0.03 0.00 -0.13 0.00 0.00 55.73 55.55 1abb s ARG 160 Cb -0.11 -2.93 -0.02 0.00 -1.56 0.00 0.00 34.95 30.33 1abb s ARG 160 CO 0.47 0.04 -0.07 0.71 -0.81 0.00 0.00 175.30 175.65 1abb s TYR 161 N 0.87 2.94 0.00 5.12 2.02 -1.25 -4.62 117.35 122.43 1abb s TYR 161 Ca -0.01 -0.58 -0.23 0.00 -0.37 0.00 0.00 57.07 55.88 1abb s TYR 161 Cb -0.15 -1.96 -0.18 0.00 -0.40 0.00 0.00 41.96 39.27 1abb s TYR 161 CO 0.01 -0.23 1.27 0.93 -1.57 0.00 0.00 175.55 175.96 1abb h GLU 162 N 7.10 0.17 -0.86 -0.62 5.08 -1.02 -3.34 114.58 121.09 1abb h GLU 162 Ca -0.32 -0.10 -0.14 0.00 -1.00 0.00 0.00 59.36 57.80 1abb h GLU 162 Cb 1.19 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 30.36 1abb h GLU 162 CO 0.60 0.65 0.18 1.19 -1.00 0.00 0.00 179.01 180.62 1abb n PHE 163 N -4.69 1.52 0.00 4.33 3.72 -0.20 -4.18 117.46 117.96 1abb n PHE 163 Ca -0.08 -0.83 0.00 0.00 -0.05 0.00 0.00 57.45 56.50 1abb n PHE 163 Cb 0.32 -0.49 0.00 0.00 -0.94 0.00 0.00 39.48 38.37 1abb n PHE 163 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1abb n GLY 164 N -0.01 3.49 0.00 1.37 0.00 -1.21 -3.88 105.19 104.95 1abb n GLY 164 Ca 0.25 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1abb n GLY 164 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1abb n ILE 165 N 0.00 0.00 -2.44 -0.61 0.00 -1.26 -3.08 119.36 111.96 1abb n ILE 165 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 62.75 62.41 1abb n ILE 165 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 39.64 39.62 1abb n ILE 165 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 1abb s PHE 166 N -1.97 2.88 -0.33 9.51 -0.71 -1.26 -2.93 117.98 123.16 1abb s PHE 166 Ca 0.00 1.56 -0.07 0.00 -1.04 0.00 0.00 56.93 57.39 1abb s PHE 166 Cb 0.00 -3.15 0.03 0.00 -1.21 0.00 0.00 43.02 38.69 1abb s PHE 166 CO 0.00 -1.11 0.11 1.21 -1.34 0.00 0.00 175.22 174.09 1abb s ASN 167 N -1.90 5.29 0.33 1.98 3.84 -0.21 -4.82 114.94 119.45 1abb s ASN 167 Ca 0.69 -1.00 -0.17 0.00 0.21 0.00 0.00 52.86 52.60 1abb s ASN 167 Cb -0.19 -1.89 -0.09 0.00 -0.55 0.00 0.00 41.25 38.53 1abb s ASN 167 CO 0.22 -0.29 0.78 -1.58 -2.79 0.00 0.00 177.10 173.44 1abb s GLN 168 N 1.45 4.07 0.02 0.43 0.74 -1.26 -0.77 119.66 124.34 1abb s GLN 168 Ca -0.00 0.78 0.03 0.00 0.05 0.00 0.00 55.36 56.21 1abb s GLN 168 Cb -0.19 -2.43 -0.01 0.00 1.10 0.00 0.00 33.01 31.48 1abb s GLN 168 CO 0.03 0.14 -0.09 0.21 -0.55 0.00 0.00 175.29 175.03 1abb s LYS 169 N -2.92 0.65 -1.05 1.67 2.20 0.37 -4.51 119.74 116.14 1abb s LYS 169 Ca 0.55 -0.49 -0.08 0.00 -0.36 0.00 0.00 55.97 55.58 1abb s LYS 169 Cb -0.11 -0.58 0.26 0.00 -1.51 0.00 0.00 37.83 35.89 1abb s LYS 169 CO 0.17 0.15 1.02 0.42 -0.36 0.00 0.00 175.35 176.74 1abb s ILE 170 N -0.62 5.65 -0.67 5.43 -1.09 -1.26 -0.20 121.20 128.44 1abb s ILE 170 Ca -0.01 -3.44 -0.16 0.00 -2.23 0.00 0.00 60.65 54.82 1abb s ILE 170 Cb -0.06 -4.41 0.16 0.00 -1.58 0.00 0.00 42.46 36.57 1abb s ILE 170 CO 0.00 -1.15 0.66 0.00 -1.23 0.00 0.00 174.94 173.22 1abb n GLY 172 N 4.82 0.70 1.37 0.00 0.00 -1.26 -3.71 105.19 107.11 1abb n GLY 172 Ca -0.02 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1abb n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1abb n GLY 173 N -2.40 0.79 3.76 -0.02 0.00 -1.25 -5.06 105.19 101.02 1abb n GLY 173 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1abb n GLY 173 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1abb s TRP 174 N -2.86 3.26 0.25 1.61 0.52 -1.24 -3.76 118.94 116.71 1abb s TRP 174 Ca 0.00 0.20 -0.30 0.00 0.02 0.00 0.00 56.10 56.02 1abb s TRP 174 Cb 0.00 -1.74 -0.09 0.00 -1.15 0.00 0.00 33.47 30.49 1abb s TRP 174 CO 0.00 0.54 1.06 -1.14 0.02 0.00 0.00 176.95 177.43 1abb s GLN 175 N -1.62 4.69 -0.08 4.98 0.74 -1.26 -0.65 119.66 126.45 1abb s GLN 175 Ca 0.21 1.71 0.03 0.00 0.05 0.00 0.00 55.36 57.36 1abb s GLN 175 Cb -0.12 -3.23 0.01 0.00 1.10 0.00 0.00 33.01 30.77 1abb s GLN 175 CO 0.12 0.26 -0.15 -1.64 -0.55 0.00 0.00 175.29 173.33 1abb s MET 176 N -1.14 2.07 -0.35 1.67 -1.94 0.73 -4.90 119.30 115.43 1abb s MET 176 Ca 0.45 -0.54 -0.19 0.00 -1.71 0.00 0.00 55.69 53.70 1abb s MET 176 Cb -0.30 -1.65 -0.00 0.00 2.01 0.00 0.00 34.83 34.89 1abb s MET 176 CO 0.37 0.06 0.55 -1.83 -0.01 0.00 0.00 175.02 174.17 1abb s GLU 177 N 0.59 3.65 0.48 2.03 1.03 -1.26 -0.48 118.70 124.74 1abb s GLU 177 Ca -0.15 -0.09 -0.00 0.00 0.03 0.00 0.00 54.97 54.75 1abb s GLU 177 Cb -0.16 -3.81 0.00 0.00 -0.80 0.00 0.00 34.13 29.37 1abb s GLU 177 CO 0.05 -0.67 0.72 -1.21 -1.33 0.00 0.00 175.26 172.82 1abb s GLU 178 N 2.48 2.96 0.05 -4.83 2.02 0.05 -4.92 118.70 116.52 1abb s GLU 178 Ca 0.20 -0.47 0.00 0.00 0.02 0.00 0.00 54.97 54.72 1abb s GLU 178 Cb -0.15 -2.51 -0.04 0.00 0.10 0.00 0.00 34.13 31.53 1abb s GLU 178 CO 0.14 -0.40 0.16 0.00 0.02 0.00 0.00 175.26 175.19 1abb s ALA 179 N -2.64 3.86 -1.37 5.21 0.00 -1.26 -1.04 121.76 124.52 1abb s ALA 179 Ca 0.50 -0.88 -0.16 0.00 0.00 0.00 0.00 51.96 51.43 1abb s ALA 179 Cb -0.10 -1.72 0.04 0.00 0.00 0.00 0.00 23.12 21.34 1abb s ALA 179 CO 0.39 0.79 2.02 -3.47 0.00 0.00 0.00 175.76 175.49 1abb n ASP 180 N 0.48 4.22 -4.01 0.00 2.03 -1.15 -4.69 116.55 113.42 1abb n ASP 180 Ca -0.07 -2.86 -0.43 0.00 0.52 0.00 0.00 54.79 51.95 1abb n ASP 180 Cb 0.51 -1.68 0.00 0.00 -0.72 0.00 0.00 41.12 39.24 1abb n ASP 180 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1abb n ASP 181 N 7.25 4.71 0.05 1.67 5.75 -1.26 -3.64 116.55 131.08 1abb n ASP 181 Ca 0.51 -2.98 -0.06 0.00 -0.01 0.00 0.00 54.79 52.25 1abb n ASP 181 Cb 0.42 -1.59 0.12 0.00 -1.03 0.00 0.00 41.12 39.04 1abb n ASP 181 CO 0.00 0.00 0.00 4.11 -0.11 0.00 0.00 177.20 181.20 1abb h TRP 182 N 6.29 0.46 0.00 2.11 5.08 -1.92 -2.84 115.95 125.12 1abb h TRP 182 Ca 0.45 -0.16 0.00 0.00 1.08 0.00 0.00 58.89 60.26 1abb h TRP 182 Cb 0.70 -0.09 0.00 0.00 -3.00 0.00 0.00 29.16 26.77 1abb h TRP 182 CO 1.32 0.82 0.00 1.28 -1.28 0.00 0.00 178.44 180.58 1abb n LEU 183 N -3.94 0.00 -0.17 0.11 4.77 -1.26 -4.32 117.00 112.19 1abb n LEU 183 Ca -0.02 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.93 1abb n LEU 183 Cb 0.58 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.71 1abb n LEU 183 CO 0.45 0.00 0.76 -0.09 -1.33 0.00 0.00 177.39 177.18 1abb h ARG 184 N 0.00 0.00 -0.57 3.23 2.43 -1.87 -0.23 114.38 117.37 1abb h ARG 184 Ca 0.00 -0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 58.82 1abb h ARG 184 Cb 0.00 -0.00 -0.21 0.00 -0.42 0.00 0.00 29.97 29.34 1abb h ARG 184 CO 0.00 0.00 -0.05 0.66 -1.51 0.00 0.00 179.97 179.07 1abb n TYR 185 N -5.37 1.87 -2.70 2.20 4.01 -1.26 -5.06 117.16 110.84 1abb n TYR 185 Ca 0.05 -1.96 0.06 0.00 -0.16 0.00 0.00 57.90 55.88 1abb n TYR 185 Cb 0.28 -0.64 -0.01 0.00 -0.31 0.00 0.00 39.34 38.66 1abb n TYR 185 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1abb n GLY 186 N -1.02 -1.75 2.73 2.72 0.00 -0.10 -4.86 105.19 102.91 1abb n GLY 186 Ca 0.42 -1.25 -0.30 0.00 0.00 0.00 0.00 46.02 44.89 1abb n GLY 186 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1abb s ASN 187 N -4.45 3.92 0.05 1.61 2.47 -1.26 -4.76 114.94 112.51 1abb s ASN 187 Ca 0.00 -1.94 0.02 0.00 0.42 0.00 0.00 52.86 51.37 1abb s ASN 187 Cb 0.00 -0.92 0.13 0.00 -1.45 0.00 0.00 41.25 39.01 1abb s ASN 187 CO 0.00 -0.37 0.98 -0.81 -3.72 0.00 0.00 177.10 173.18 1abb n PRO 188 N 4.45 0.02 0.00 0.43 -0.04 -1.26 -2.92 135.00 135.68 1abb n PRO 188 Ca 0.02 0.43 0.11 0.00 -0.04 0.00 0.00 63.50 64.02 1abb n PRO 188 Cb 0.40 -1.66 0.12 0.00 -0.04 0.00 0.00 33.50 32.31 1abb n PRO 188 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1abb n TRP 189 N -1.50 0.00 -4.05 0.54 7.02 -1.26 -4.80 117.44 113.39 1abb n TRP 189 Ca -0.00 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.15 1abb n TRP 189 Cb 0.11 -0.12 -0.06 0.00 -2.42 0.00 0.00 31.31 28.82 1abb n TRP 189 CO 0.00 0.00 0.00 -1.83 -2.02 0.00 0.00 177.69 173.84 1abb s GLU 190 N -2.88 3.13 -0.18 -0.99 -1.05 -1.15 -4.42 118.70 111.16 1abb s GLU 190 Ca 0.13 -0.49 -0.01 0.00 -0.15 0.00 0.00 54.97 54.45 1abb s GLU 190 Cb 0.17 -2.89 0.00 0.00 -0.44 0.00 0.00 34.13 30.97 1abb s GLU 190 CO 0.72 0.64 -0.13 0.21 0.95 0.00 0.00 175.26 177.65 1abb s LYS 191 N -1.92 3.21 0.18 -4.83 2.36 -0.17 -4.91 119.74 113.66 1abb s LYS 191 Ca 0.25 -0.73 -0.30 0.00 -2.55 0.00 0.00 55.97 52.65 1abb s LYS 191 Cb -0.12 -2.74 -0.08 0.00 -1.05 0.00 0.00 37.83 33.84 1abb s LYS 191 CO 0.17 -0.12 1.16 0.00 1.55 0.00 0.00 175.35 178.12 1abb s ALA 192 N 1.16 3.41 -0.66 3.13 0.00 -1.26 -0.87 121.76 126.67 1abb s ALA 192 Ca 0.01 0.90 0.06 0.00 0.00 0.00 0.00 51.96 52.93 1abb s ALA 192 Cb -0.14 -3.39 0.24 0.00 0.00 0.00 0.00 23.12 19.83 1abb s ALA 192 CO -0.05 -0.32 0.74 0.54 0.00 0.00 0.00 175.76 176.68 1abb n ARG 193 N 2.48 2.52 0.25 0.00 5.12 -0.62 -4.88 116.66 121.52 1abb n ARG 193 Ca 0.04 -4.66 0.17 0.00 -1.93 0.00 0.00 57.85 51.47 1abb n ARG 193 Cb 0.45 -2.27 0.81 0.00 -1.16 0.00 0.00 32.46 30.29 1abb n ARG 193 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1abb h PRO 194 N 4.34 0.00 -0.24 5.56 0.13 -1.95 0.14 132.00 139.98 1abb h PRO 194 Ca 0.19 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.35 1abb h PRO 194 Cb 0.67 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.79 1abb h PRO 194 CO 0.84 0.00 0.17 0.93 -0.23 0.00 0.00 178.00 179.71 1abb h GLU 195 N 0.00 0.22 -0.25 0.86 5.08 -1.95 -2.88 114.58 115.65 1abb h GLU 195 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1abb h GLU 195 Cb 0.23 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1abb h GLU 195 CO 0.00 0.14 0.00 1.19 -1.00 0.00 0.00 179.01 179.34 1abb n PHE 196 N -4.50 0.86 -1.68 4.33 3.01 0.04 -5.00 117.46 114.52 1abb n PHE 196 Ca 0.01 -0.87 -0.51 0.00 1.01 0.00 0.00 57.45 57.10 1abb n PHE 196 Cb 0.16 -0.29 -0.06 0.00 -0.01 0.00 0.00 39.48 39.28 1abb n PHE 196 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1abb n THR 197 N -0.52 0.32 -4.65 4.37 -1.04 -1.09 -4.68 114.28 106.99 1abb n THR 197 Ca 0.20 -0.06 -0.34 0.00 -2.04 0.00 0.00 64.05 61.82 1abb n THR 197 Cb 0.85 -1.47 -0.12 0.00 -1.82 0.00 0.00 70.33 67.78 1abb n THR 197 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1abb s LEU 198 N 2.90 3.10 0.65 -4.42 1.43 0.40 -4.89 118.68 117.85 1abb s LEU 198 Ca 0.91 -0.07 -0.16 0.00 -1.03 0.00 0.00 54.13 53.78 1abb s LEU 198 Cb -0.85 -1.68 -0.01 0.00 0.03 0.00 0.00 46.19 43.69 1abb s LEU 198 CO 0.53 0.33 1.13 -2.16 0.23 0.00 0.00 176.35 176.42 1abb s PRO 199 N -0.64 2.81 -0.07 1.29 0.04 -1.26 0.54 135.00 137.71 1abb s PRO 199 Ca 0.10 1.50 -0.03 0.00 0.04 0.00 0.00 61.00 62.60 1abb s PRO 199 Cb -0.11 -1.94 0.04 0.00 0.04 0.00 0.00 34.50 32.52 1abb s PRO 199 CO 0.02 -1.26 0.16 0.08 0.04 0.00 0.00 177.00 176.04 1abb s VAL 200 N -2.16 -0.06 -0.03 -0.36 1.01 0.23 -4.81 120.40 114.23 1abb s VAL 200 Ca 0.69 0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.85 1abb s VAL 200 Cb -0.23 -0.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 1abb s VAL 200 CO 0.39 0.07 0.04 -1.00 0.00 0.00 0.00 175.10 174.60 1abb s HIS 201 N 1.23 3.21 0.27 5.22 3.76 -1.26 -2.16 115.29 125.55 1abb s HIS 201 Ca -0.09 0.18 0.11 0.00 -0.15 0.00 0.00 55.06 55.11 1abb s HIS 201 Cb -0.11 -1.74 -0.05 0.00 1.11 0.00 0.00 32.58 31.79 1abb s HIS 201 CO -0.06 0.51 -0.19 -0.06 -0.85 0.00 0.00 174.74 174.09 1abb s PHE 202 N -1.07 2.18 0.00 1.40 0.40 -0.12 -4.95 117.98 115.82 1abb s PHE 202 Ca 0.19 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 56.14 1abb s PHE 202 Cb -0.12 -0.96 0.00 0.00 0.51 0.00 0.00 43.02 42.45 1abb s PHE 202 CO 0.09 0.64 0.00 0.66 0.70 0.00 0.00 175.22 177.32 1abb n TYR 203 N -0.58 -0.29 0.00 0.36 4.01 0.33 -1.11 117.16 119.89 1abb n TYR 203 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 1abb n TYR 203 Cb 0.60 0.11 0.00 0.00 -0.31 0.00 0.00 39.34 39.74 1abb n TYR 203 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1abb n GLY 204 N 0.00 0.33 3.64 2.72 0.00 -1.22 -4.69 105.19 105.97 1abb n GLY 204 Ca 0.00 -1.75 -0.08 0.00 0.00 0.00 0.00 46.02 44.19 1abb n GLY 204 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1abb s ARG 205 N -0.82 0.42 -0.40 1.61 3.52 0.18 -4.89 118.95 118.58 1abb s ARG 205 Ca 0.00 0.49 -0.10 0.00 -0.13 0.00 0.00 55.73 55.99 1abb s ARG 205 Cb 0.00 0.21 0.06 0.00 -1.56 0.00 0.00 34.95 33.65 1abb s ARG 205 CO 0.00 -0.05 0.24 0.08 -0.81 0.00 0.00 175.30 174.76 1abb s VAL 206 N 0.15 4.42 -0.68 7.11 1.01 -1.26 -0.08 120.40 131.06 1abb s VAL 206 Ca 0.04 -1.15 -0.21 0.00 0.00 0.00 0.00 61.98 60.66 1abb s VAL 206 Cb -0.05 -3.59 0.09 0.00 0.00 0.00 0.00 36.38 32.83 1abb s VAL 206 CO -0.08 -0.39 0.92 -0.70 0.00 0.00 0.00 175.10 174.86 1abb s GLU 207 N 1.49 3.17 -1.09 2.72 2.12 -0.31 -4.86 118.70 121.94 1abb s GLU 207 Ca 0.02 -1.11 -0.23 0.00 0.36 0.00 0.00 54.97 54.02 1abb s GLU 207 Cb -0.21 -4.34 -0.04 0.00 0.26 0.00 0.00 34.13 29.80 1abb s GLU 207 CO 0.04 -1.74 1.86 -1.01 -0.54 0.00 0.00 175.26 173.87 1abb s HIS 208 N 3.48 2.09 -0.33 5.30 3.76 -1.26 0.53 115.29 128.85 1abb s HIS 208 Ca 0.21 0.08 -0.07 0.00 -0.15 0.00 0.00 55.06 55.13 1abb s HIS 208 Cb -0.17 -4.20 0.03 0.00 1.11 0.00 0.00 32.58 29.35 1abb s HIS 208 CO 0.06 -1.55 0.11 0.95 -0.85 0.00 0.00 174.74 173.46 1abb s THR 209 N 9.08 3.87 0.00 1.30 -4.23 -0.82 -4.90 115.64 119.94 1abb s THR 209 Ca 0.64 -1.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.11 1abb s THR 209 Cb -0.02 -3.16 0.00 0.00 1.34 0.00 0.00 72.50 70.66 1abb s THR 209 CO 0.05 -0.14 0.00 -1.54 -0.54 0.00 0.00 174.62 172.45 1abb n SER 210 N 4.83 0.00 -0.63 3.99 3.41 -1.26 -1.90 113.62 122.06 1abb n SER 210 Ca -0.13 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.61 1abb n SER 210 Cb 0.45 0.00 0.24 0.00 -0.26 0.00 0.00 64.21 64.64 1abb n SER 210 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1abb n GLN 211 N 0.00 1.70 0.00 4.33 -0.06 -1.26 -4.99 117.38 117.09 1abb n GLN 211 Ca 0.00 -1.26 0.00 0.00 -2.00 0.00 0.00 57.00 53.74 1abb n GLN 211 Cb 0.00 -1.47 0.00 0.00 -4.06 0.00 0.00 30.24 24.71 1abb n GLN 211 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1abb n GLY 212 N 1.31 2.58 3.28 1.69 0.00 -0.80 -5.09 105.19 108.16 1abb n GLY 212 Ca 0.14 -0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 1abb n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1abb s ALA 213 N -1.00 1.73 -0.13 4.61 0.00 -1.26 -1.94 121.76 123.77 1abb s ALA 213 Ca 0.00 -1.26 -0.03 0.00 0.00 0.00 0.00 51.96 50.67 1abb s ALA 213 Cb 0.00 -0.20 0.05 0.00 0.00 0.00 0.00 23.12 22.97 1abb s ALA 213 CO 0.00 0.29 0.04 0.21 0.00 0.00 0.00 175.76 176.30 1abb s LYS 214 N -2.10 0.46 -0.61 0.00 2.20 0.19 -4.77 119.74 115.10 1abb s LYS 214 Ca 0.07 -0.11 -0.28 0.00 -0.36 0.00 0.00 55.97 55.29 1abb s LYS 214 Cb -0.09 -1.53 0.03 0.00 -1.51 0.00 0.00 37.83 34.73 1abb s LYS 214 CO 0.04 -0.50 1.22 -0.46 -0.36 0.00 0.00 175.35 175.28 1abb s TRP 215 N 1.98 2.53 0.51 4.03 -0.00 -1.26 -1.16 118.94 125.56 1abb s TRP 215 Ca 0.02 0.33 0.05 0.00 -0.00 0.00 0.00 56.10 56.50 1abb s TRP 215 Cb -0.15 -4.54 0.01 0.00 -0.00 0.00 0.00 33.47 28.79 1abb s TRP 215 CO -0.07 -1.69 0.26 0.14 -0.00 0.00 0.00 176.95 175.59 1abb s VAL 216 N 5.14 1.69 -1.27 5.86 -7.23 0.88 -4.81 120.40 120.66 1abb s VAL 216 Ca 0.42 -1.65 -0.12 0.00 -1.81 0.00 0.00 61.98 58.81 1abb s VAL 216 Cb -0.08 -2.35 -0.00 0.00 0.56 0.00 0.00 36.38 34.52 1abb s VAL 216 CO 0.23 0.00 0.61 0.47 -0.31 0.00 0.00 175.10 176.10 1abb n ASP 217 N -1.53 -2.85 -4.83 4.85 8.00 -1.26 0.50 116.55 119.43 1abb n ASP 217 Ca -0.06 -1.03 -0.35 0.00 0.71 0.00 0.00 54.79 54.06 1abb n ASP 217 Cb 0.65 -3.11 -0.07 0.00 -0.02 0.00 0.00 41.12 38.58 1abb n ASP 217 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1abb s THR 218 N -3.70 5.15 0.51 -3.53 -4.23 -1.26 -3.44 115.64 105.13 1abb s THR 218 Ca 0.25 -0.06 -0.19 0.00 -1.18 0.00 0.00 61.69 60.52 1abb s THR 218 Cb -0.10 -3.29 -0.07 0.00 1.34 0.00 0.00 72.50 70.38 1abb s THR 218 CO 0.88 0.51 1.03 -1.58 -0.54 0.00 0.00 174.62 174.92 1abb s GLN 219 N -1.32 3.72 0.10 3.99 0.74 -0.26 -4.84 119.66 121.78 1abb s GLN 219 Ca 0.19 1.27 0.08 0.00 0.05 0.00 0.00 55.36 56.95 1abb s GLN 219 Cb -0.12 -2.09 -0.03 0.00 1.10 0.00 0.00 33.01 31.87 1abb s GLN 219 CO 0.09 -0.49 -0.22 0.08 -0.55 0.00 0.00 175.29 174.20 1abb s VAL 220 N -2.17 1.76 -0.04 1.34 1.01 -1.26 -0.94 120.40 120.10 1abb s VAL 220 Ca 0.65 -1.52 -0.01 0.00 0.00 0.00 0.00 61.98 61.10 1abb s VAL 220 Cb -0.15 -1.59 0.03 0.00 0.00 0.00 0.00 36.38 34.67 1abb s VAL 220 CO 0.25 -0.01 0.08 -0.69 0.00 0.00 0.00 175.10 174.73 1abb s VAL 221 N -1.10 -0.07 -0.06 2.92 1.01 -0.92 -4.68 120.40 117.50 1abb s VAL 221 Ca 0.07 0.23 -0.17 0.00 0.00 0.00 0.00 61.98 62.12 1abb s VAL 221 Cb -0.10 -0.15 -0.05 0.00 0.00 0.00 0.00 36.38 36.08 1abb s VAL 221 CO 0.04 0.09 0.44 -0.76 0.00 0.00 0.00 175.10 174.92 1abb s LEU 222 N 1.26 4.37 -0.29 3.92 1.43 -0.14 -0.60 118.68 128.63 1abb s LEU 222 Ca -0.07 0.89 -0.10 0.00 -1.03 0.00 0.00 54.13 53.81 1abb s LEU 222 Cb -0.12 -2.65 -0.03 0.00 0.03 0.00 0.00 46.19 43.42 1abb s LEU 222 CO -0.04 0.15 0.17 0.00 0.23 0.00 0.00 176.35 176.86 1abb s ALA 223 N -0.18 3.41 -0.16 4.21 0.00 0.19 -1.48 121.76 127.75 1abb s ALA 223 Ca 0.25 -1.21 -0.04 0.00 0.00 0.00 0.00 51.96 50.95 1abb s ALA 223 Cb -0.16 -2.42 -0.03 0.00 0.00 0.00 0.00 23.12 20.51 1abb s ALA 223 CO 0.12 -0.69 -0.02 1.41 0.00 0.00 0.00 175.76 176.57 1abb s MET 224 N 1.70 3.71 0.13 0.00 1.75 -0.32 -0.45 119.30 125.80 1abb s MET 224 Ca 0.06 -0.50 -0.06 0.00 -1.25 0.00 0.00 55.69 53.95 1abb s MET 224 Cb -0.16 -2.95 -0.06 0.00 2.84 0.00 0.00 34.83 34.50 1abb s MET 224 CO 0.09 0.24 0.37 -1.25 -0.65 0.00 0.00 175.02 173.82 1abb s PRO 225 N 0.38 3.64 0.03 4.11 0.04 -1.26 -1.25 135.00 140.69 1abb s PRO 225 Ca -0.03 -0.05 0.09 0.00 0.04 0.00 0.00 61.00 61.05 1abb s PRO 225 Cb -0.14 -2.88 -0.03 0.00 0.04 0.00 0.00 34.50 31.49 1abb s PRO 225 CO 0.03 0.49 -0.25 0.71 0.04 0.00 0.00 177.00 178.01 1abb s TYR 226 N -1.60 2.23 -0.10 0.56 1.51 0.53 -1.60 117.35 118.88 1abb s TYR 226 Ca 0.39 -0.41 -0.01 0.00 -1.01 0.00 0.00 57.07 56.03 1abb s TYR 226 Cb -0.12 -1.35 -0.03 0.00 -0.11 0.00 0.00 41.96 40.35 1abb s TYR 226 CO 0.23 0.09 -0.07 -0.51 -1.11 0.00 0.00 175.55 174.19 1abb s ASP 227 N -1.12 4.63 -0.03 2.29 1.11 -0.05 -1.07 116.67 122.43 1abb s ASP 227 Ca 0.11 -0.09 0.02 0.00 0.18 0.00 0.00 52.55 52.76 1abb s ASP 227 Cb -0.10 -1.42 0.01 0.00 1.07 0.00 0.00 42.92 42.48 1abb s ASP 227 CO 0.01 0.28 -0.06 -0.89 1.18 0.00 0.00 175.17 175.69 1abb s THR 228 N -0.30 0.57 -0.05 -1.27 2.01 0.27 -1.00 115.64 115.88 1abb s THR 228 Ca 0.04 -0.21 -0.30 0.00 0.31 0.00 0.00 61.69 61.54 1abb s THR 228 Cb -0.13 -0.55 -0.03 0.00 0.01 0.00 0.00 72.50 71.81 1abb s THR 228 CO 0.02 0.21 1.13 -2.16 -0.69 0.00 0.00 174.62 173.13 1abb s PRO 229 N 0.49 4.40 -0.23 4.92 0.04 -1.26 0.18 135.00 143.54 1abb s PRO 229 Ca -0.07 1.59 -0.01 0.00 0.04 0.00 0.00 61.00 62.54 1abb s PRO 229 Cb -0.10 -3.52 0.02 0.00 0.04 0.00 0.00 34.50 30.94 1abb s PRO 229 CO 0.00 -0.35 -0.08 0.14 0.04 0.00 0.00 177.00 176.75 1abb s VAL 230 N 1.90 2.82 0.38 -0.36 -7.23 0.29 -4.91 120.40 113.28 1abb s VAL 230 Ca 0.54 -0.94 -0.17 0.00 -1.81 0.00 0.00 61.98 59.60 1abb s VAL 230 Cb -0.23 -2.38 -0.09 0.00 0.56 0.00 0.00 36.38 34.23 1abb s VAL 230 CO 0.22 0.28 0.83 -2.16 -0.31 0.00 0.00 175.10 173.96 1abb s PRO 231 N 1.34 4.05 0.93 4.82 0.04 -1.26 -0.68 135.00 144.23 1abb s PRO 231 Ca 0.02 0.82 -0.13 0.00 0.04 0.00 0.00 61.00 61.75 1abb s PRO 231 Cb -0.16 -2.32 0.20 0.00 0.04 0.00 0.00 34.50 32.27 1abb s PRO 231 CO -0.05 0.03 1.27 0.20 0.04 0.00 0.00 177.00 178.49 1abb s GLY 232 N -2.42 1.80 -0.59 0.56 0.00 0.05 -4.80 107.32 101.92 1abb s GLY 232 Ca 0.57 -1.45 -0.23 0.00 0.00 0.00 0.00 44.72 43.60 1abb s GLY 232 CO 0.19 -0.68 0.94 -0.47 0.00 0.00 0.00 173.10 173.08 1abb s TYR 233 N -3.75 2.75 -0.43 1.90 5.04 -1.26 -4.44 117.35 117.15 1abb s TYR 233 Ca 0.74 -0.24 0.00 0.00 -2.44 0.00 0.00 57.07 55.13 1abb s TYR 233 Cb -0.03 -4.14 0.00 0.00 0.35 0.00 0.00 41.96 38.14 1abb s TYR 233 CO 0.52 -1.47 0.00 0.54 -1.34 0.00 0.00 175.55 173.80 1abb n ARG 234 N 7.54 -2.20 -0.07 4.97 3.00 -0.83 -4.81 116.66 124.27 1abb n ARG 234 Ca -0.01 0.24 0.06 0.00 -0.01 0.00 0.00 57.85 58.14 1abb n ARG 234 Cb 0.47 -4.64 0.10 0.00 0.00 0.00 0.00 32.46 28.38 1abb n ARG 234 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1abb n ASN 235 N -0.96 2.41 0.00 0.55 2.04 -1.26 -4.87 115.26 113.17 1abb n ASN 235 Ca -0.05 -1.70 0.00 0.00 -0.44 0.00 0.00 54.58 52.39 1abb n ASN 235 Cb 0.42 -0.09 0.00 0.00 -2.53 0.00 0.00 39.78 37.58 1abb n ASN 235 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1abb n ASN 236 N 0.69 -1.26 -4.81 0.53 3.02 -1.26 -0.46 115.26 111.71 1abb n ASN 236 Ca 0.09 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.26 1abb n ASN 236 Cb 0.36 -2.29 -0.06 0.00 -0.61 0.00 0.00 39.78 37.19 1abb n ASN 236 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1abb s VAL 237 N -1.43 4.73 -0.07 2.41 -7.23 -1.26 -4.47 120.40 113.08 1abb s VAL 237 Ca 0.00 1.22 0.02 0.00 -1.81 0.00 0.00 61.98 61.41 1abb s VAL 237 Cb 0.00 -3.90 0.02 0.00 0.56 0.00 0.00 36.38 33.06 1abb s VAL 237 CO 0.00 0.55 -0.11 -0.69 -0.31 0.00 0.00 175.10 174.54 1abb s VAL 238 N -1.12 1.06 0.40 1.32 1.01 -1.26 -0.77 120.40 121.03 1abb s VAL 238 Ca 0.29 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 61.90 1abb s VAL 238 Cb -0.19 -0.99 0.04 0.00 0.00 0.00 0.00 36.38 35.24 1abb s VAL 238 CO 0.19 0.34 0.33 0.59 0.00 0.00 0.00 175.10 176.55 1abb n ASN 239 N 4.01 2.15 -4.48 3.32 4.13 0.14 -4.54 115.26 119.99 1abb n ASN 239 Ca -0.22 -2.32 -0.31 0.00 1.68 0.00 0.00 54.58 53.42 1abb n ASN 239 Cb 0.51 -0.07 -0.12 0.00 -1.54 0.00 0.00 39.78 38.57 1abb n ASN 239 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1abb s THR 240 N -1.90 2.89 -0.22 3.41 2.01 -1.26 -0.55 115.64 120.03 1abb s THR 240 Ca 0.25 -1.21 0.00 0.00 0.31 0.00 0.00 61.69 61.04 1abb s THR 240 Cb -0.02 -2.24 0.02 0.00 0.01 0.00 0.00 72.50 70.27 1abb s THR 240 CO 0.16 0.29 -0.13 -0.32 -0.69 0.00 0.00 174.62 173.93 1abb s MET 241 N -1.59 2.87 -0.34 4.92 1.75 0.13 -2.20 119.30 124.84 1abb s MET 241 Ca 0.16 -0.93 -0.06 0.00 -1.25 0.00 0.00 55.69 53.61 1abb s MET 241 Cb -0.11 -2.78 0.05 0.00 2.84 0.00 0.00 34.83 34.83 1abb s MET 241 CO 0.07 -0.32 0.10 0.50 -0.65 0.00 0.00 175.02 174.72 1abb s ARG 242 N 1.29 2.57 -0.16 4.11 6.06 0.56 -0.56 118.95 132.81 1abb s ARG 242 Ca 0.02 -1.23 -0.05 0.00 -2.50 0.00 0.00 55.73 51.96 1abb s ARG 242 Cb -0.15 -3.44 -0.03 0.00 0.06 0.00 0.00 34.95 31.38 1abb s ARG 242 CO -0.08 -0.69 0.01 -0.51 -2.50 0.00 0.00 175.30 171.53 1abb s LEU 243 N 1.37 3.52 0.09 -0.88 1.02 -0.24 -2.78 118.68 120.79 1abb s LEU 243 Ca -0.02 -0.02 -0.20 0.00 0.02 0.00 0.00 54.13 53.92 1abb s LEU 243 Cb -0.20 -1.87 -0.07 0.00 0.02 0.00 0.00 46.19 44.08 1abb s LEU 243 CO 0.02 0.18 0.60 0.26 0.02 0.00 0.00 176.35 177.43 1abb s TRP 244 N 0.30 3.80 -0.00 0.29 0.52 0.19 -0.35 118.94 123.69 1abb s TRP 244 Ca -0.00 1.31 0.08 0.00 0.02 0.00 0.00 56.10 57.50 1abb s TRP 244 Cb -0.13 -2.52 -0.02 0.00 -1.15 0.00 0.00 33.47 29.64 1abb s TRP 244 CO 0.02 0.56 -0.24 0.45 0.02 0.00 0.00 176.95 177.76 1abb s SER 245 N -1.17 2.82 0.08 2.95 0.15 -0.38 0.55 113.70 118.70 1abb s SER 245 Ca 0.31 -0.46 -0.14 0.00 0.70 0.00 0.00 55.95 56.35 1abb s SER 245 Cb -0.20 -0.30 -0.06 0.00 -1.71 0.00 0.00 66.02 63.75 1abb s SER 245 CO 0.20 0.27 0.49 0.00 1.20 0.00 0.00 173.24 175.40 1abb s ALA 246 N -0.62 3.64 -0.09 5.45 0.00 -1.26 -1.18 121.76 127.70 1abb s ALA 246 Ca 0.09 -0.18 -0.03 0.00 0.00 0.00 0.00 51.96 51.84 1abb s ALA 246 Cb -0.09 -2.45 0.05 0.00 0.00 0.00 0.00 23.12 20.62 1abb s ALA 246 CO -0.00 0.48 0.16 0.15 0.00 0.00 0.00 175.76 176.54 1abb s LYS 247 N -1.59 0.03 0.54 0.00 1.02 -0.55 -4.66 119.74 114.53 1abb s LYS 247 Ca 0.32 0.52 -0.20 0.00 0.02 0.00 0.00 55.97 56.63 1abb s LYS 247 Cb -0.16 -0.36 -0.06 0.00 -0.52 0.00 0.00 37.83 36.73 1abb s LYS 247 CO 0.17 -0.33 1.17 0.00 -0.92 0.00 0.00 175.35 175.44 1abb s ALA 248 N 2.28 2.73 0.30 5.17 0.00 -1.26 -0.96 121.76 130.02 1abb s ALA 248 Ca 0.03 0.92 -0.29 0.00 0.00 0.00 0.00 51.96 52.62 1abb s ALA 248 Cb -0.12 -3.40 -0.11 0.00 0.00 0.00 0.00 23.12 19.49 1abb s ALA 248 CO -0.06 -0.87 1.44 -2.14 0.00 0.00 0.00 175.76 174.14 1abb s PRO 249 N -3.14 4.23 -0.40 0.00 0.02 -1.26 -4.87 135.00 129.58 1abb s PRO 249 Ca 0.72 2.38 0.05 0.00 0.02 0.00 0.00 61.00 64.17 1abb s PRO 249 Cb -0.27 -3.06 0.46 0.00 0.02 0.00 0.00 34.50 31.65 1abb s PRO 249 CO 0.31 -0.42 1.47 0.09 -0.33 0.00 0.00 177.00 178.12 1abb n ASN 250 N 1.52 5.35 0.23 2.53 5.03 -1.26 -4.34 115.26 124.31 1abb n ASN 250 Ca 0.04 -3.77 0.14 0.00 0.87 0.00 0.00 54.58 51.86 1abb n ASN 250 Cb 0.40 -0.56 0.39 0.00 -1.02 0.00 0.00 39.78 38.99 1abb n ASN 250 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.26 175.87 1abb h ASP 251 N 1.96 0.00 -0.28 6.41 3.32 -1.92 -3.42 116.42 122.49 1abb h ASP 251 Ca 0.41 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.34 1abb h ASP 251 Cb 1.35 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.86 1abb h ASP 251 CO 0.94 0.00 0.66 0.49 -1.72 0.00 0.00 179.24 179.61 1abb n PHE 252 N -2.98 0.84 0.05 4.55 3.72 -1.26 -2.46 117.46 119.92 1abb n PHE 252 Ca 0.03 -0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 1abb n PHE 252 Cb 0.42 -2.02 0.00 0.00 -0.94 0.00 0.00 39.48 36.94 1abb n PHE 252 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1abb n ASN 253 N 14.84 -0.96 0.00 4.37 0.23 -1.26 -4.99 115.26 127.48 1abb n ASN 253 Ca 0.53 0.45 0.00 0.00 -0.53 0.00 0.00 54.58 55.03 1abb n ASN 253 Cb 0.35 1.17 0.00 0.00 -2.08 0.00 0.00 39.78 39.22 1abb n ASN 253 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1abb n LEU 254 N -2.86 0.00 -4.58 -4.53 4.32 -1.17 -3.56 117.00 104.61 1abb n LEU 254 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 55.57 1abb n LEU 254 Cb 0.00 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.77 1abb n LEU 254 CO 0.00 -0.00 1.34 -0.75 -1.22 0.00 0.00 177.39 176.76 1abb s LYS 255 N -1.00 3.30 0.00 3.23 2.36 -1.03 -2.80 119.74 123.81 1abb s LYS 255 Ca 0.00 0.77 0.00 0.00 -2.55 0.00 0.00 55.97 54.19 1abb s LYS 255 Cb 0.00 -4.14 0.00 0.00 -1.05 0.00 0.00 37.83 32.64 1abb s LYS 255 CO 0.00 -1.91 0.00 -3.47 1.55 0.00 0.00 175.35 171.52 1abb n ASP 256 N 9.85 0.00 -1.25 1.43 2.03 -1.26 -4.19 116.55 123.16 1abb n ASP 256 Ca 0.16 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.33 1abb n ASP 256 Cb 0.49 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.85 1abb n ASP 256 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1abb n PHE 257 N 0.00 -0.23 -0.02 -0.67 3.01 -1.12 -4.83 117.46 113.60 1abb n PHE 257 Ca 0.00 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.30 1abb n PHE 257 Cb 0.00 -2.67 -0.09 0.00 -0.01 0.00 0.00 39.48 36.71 1abb n PHE 257 CO 0.00 0.00 0.00 -2.95 1.01 0.00 0.00 176.76 174.82 1abb h ASN 258 N 0.00 0.62 -1.93 4.37 7.08 -1.90 -3.49 115.58 120.33 1abb h ASN 258 Ca -0.30 -0.66 0.00 0.00 -3.08 0.00 0.00 56.30 52.26 1abb h ASN 258 Cb 1.03 -0.18 0.00 0.00 -2.08 0.00 0.00 38.32 37.08 1abb h ASN 258 CO 0.41 1.18 0.00 1.33 -2.08 0.00 0.00 177.43 178.27 1abb n VAL 259 N -4.22 0.00 0.00 6.14 0.24 -1.26 -4.02 118.33 115.22 1abb n VAL 259 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 1abb n VAL 259 Cb 0.62 -1.33 0.00 0.00 -1.47 0.00 0.00 33.84 31.66 1abb n VAL 259 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1abb n GLY 260 N 5.00 2.17 0.07 7.63 0.00 -1.23 -4.22 105.19 114.60 1abb n GLY 260 Ca 0.00 -0.08 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 1abb n GLY 260 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1abb h GLY 261 N 0.00 -0.06 -6.98 -0.02 0.00 -1.93 -3.42 103.07 90.66 1abb h GLY 261 Ca 0.00 0.02 -0.32 0.00 0.00 0.00 0.00 47.33 47.03 1abb h GLY 261 CO 0.00 -0.02 -0.66 -0.19 0.00 0.00 0.00 176.54 175.67 1abb s TYR 262 N -5.23 -0.12 -1.67 5.60 2.02 -1.26 -4.98 117.35 111.71 1abb s TYR 262 Ca -0.14 0.44 0.10 0.00 -0.37 0.00 0.00 57.07 57.10 1abb s TYR 262 Cb 0.04 -0.34 0.35 0.00 -0.40 0.00 0.00 41.96 41.60 1abb s TYR 262 CO 0.65 -0.31 1.24 0.44 -1.57 0.00 0.00 175.55 176.00 1abb n ILE 263 N 5.32 0.71 0.00 2.71 -5.35 -1.26 -3.98 119.36 117.50 1abb n ILE 263 Ca -0.05 -0.54 0.00 0.00 -0.27 0.00 0.00 62.75 61.89 1abb n ILE 263 Cb 0.50 0.10 0.00 0.00 -1.74 0.00 0.00 39.64 38.49 1abb n ILE 263 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1abb n GLN 264 N 0.52 0.00 -0.53 6.28 10.64 -1.26 0.31 117.38 133.34 1abb n GLN 264 Ca 0.13 0.10 -0.10 0.00 -1.83 0.00 0.00 57.00 55.29 1abb n GLN 264 Cb 0.41 -1.51 0.08 0.00 -0.86 0.00 0.00 30.24 28.36 1abb n GLN 264 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1abb n ALA 265 N -1.06 3.83 -0.21 2.61 0.00 -1.26 -3.20 120.51 121.21 1abb n ALA 265 Ca 0.00 -1.25 -0.09 0.00 0.00 0.00 0.00 53.44 52.10 1abb n ALA 265 Cb 0.01 -1.19 0.02 0.00 0.00 0.00 0.00 19.45 18.29 1abb n ALA 265 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1abb h VAL 266 N 0.48 1.27 -0.26 0.00 2.07 -0.50 -3.22 116.25 116.08 1abb h VAL 266 Ca 0.27 -1.19 0.04 0.00 0.82 0.00 0.00 66.70 66.64 1abb h VAL 266 Cb 1.80 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 32.36 1abb h VAL 266 CO 0.47 0.43 -0.00 -0.07 0.02 0.00 0.00 177.57 178.42 1abb h LEU 267 N 0.97 -0.11 -0.59 2.57 3.38 -1.80 -2.70 115.31 117.03 1abb h LEU 267 Ca 0.16 0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.25 1abb h LEU 267 Cb 0.60 0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.37 1abb h LEU 267 CO 0.04 -0.02 -0.48 -0.78 0.09 0.00 0.00 178.44 177.28 1abb h ASP 268 N 0.08 -1.69 -0.79 -0.43 1.82 -1.80 -0.76 116.42 112.84 1abb h ASP 268 Ca 0.12 0.24 0.15 0.00 -0.39 0.00 0.00 57.03 57.15 1abb h ASP 268 Cb 0.16 0.72 -0.06 0.00 0.68 0.00 0.00 39.33 40.84 1abb h ASP 268 CO -0.21 -0.26 0.52 -0.09 -1.61 0.00 0.00 179.24 177.59 1abb h ARG 269 N -0.17 0.47 0.00 0.28 1.12 -1.67 -1.02 114.38 113.40 1abb h ARG 269 Ca 0.10 -0.03 -0.23 0.00 -1.11 0.00 0.00 59.98 58.71 1abb h ARG 269 Cb 0.42 -0.11 -0.04 0.00 -0.01 0.00 0.00 29.97 30.24 1abb h ARG 269 CO -0.64 0.31 -1.19 -0.91 -3.11 0.00 0.00 179.97 174.43 1abb h ASN 270 N 0.49 0.00 0.98 -3.80 2.35 -0.90 -2.05 115.58 112.64 1abb h ASN 270 Ca 0.39 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.14 1abb h ASN 270 Cb 0.82 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.19 1abb h ASN 270 CO -0.14 1.00 0.00 -0.07 -1.65 0.00 0.00 177.43 176.57 1abb h LEU 271 N 0.00 0.00 0.00 1.61 3.38 -0.41 -1.92 115.31 117.97 1abb h LEU 271 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1abb h LEU 271 Cb 1.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.59 1abb h LEU 271 CO 0.12 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.65 1abb n ALA 272 N -1.85 0.00 -0.13 1.53 0.00 -0.46 -4.24 120.51 115.36 1abb n ALA 272 Ca 0.03 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.48 1abb n ALA 272 Cb 0.29 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.79 1abb n ALA 272 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1abb n GLU 273 N -0.33 -0.04 -0.22 0.00 1.02 -0.77 -1.01 120.64 119.29 1abb n GLU 273 Ca 0.00 0.55 0.02 0.00 -0.02 0.00 0.00 57.16 57.70 1abb n GLU 273 Cb 0.00 -0.81 0.10 0.00 -0.02 0.00 0.00 31.44 30.71 1abb n GLU 273 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1abb n ASN 274 N -4.57 2.15 0.38 1.62 2.04 -0.73 -1.38 115.26 114.78 1abb n ASN 274 Ca 0.05 -2.23 -0.15 0.00 -0.44 0.00 0.00 54.58 51.82 1abb n ASN 274 Cb 0.17 -0.52 -0.07 0.00 -2.53 0.00 0.00 39.78 36.83 1abb n ASN 274 CO 0.00 0.00 0.00 0.40 -0.44 0.00 0.00 177.26 177.22 1abb h ILE 275 N 1.03 0.00 0.00 1.53 2.04 -1.25 -3.10 117.51 117.76 1abb h ILE 275 Ca 0.00 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1abb h ILE 275 Cb 0.85 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1abb h ILE 275 CO 0.12 0.00 0.00 -1.20 0.00 0.00 0.00 178.15 177.07 1abb n SER 276 N -5.09 0.00 0.03 1.72 7.64 -0.48 -3.93 113.62 113.50 1abb n SER 276 Ca -0.12 -0.92 -0.22 0.00 1.01 0.00 0.00 58.87 58.61 1abb n SER 276 Cb 0.39 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.45 1abb n SER 276 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1abb h ARG 277 N 0.00 0.29 -5.35 1.43 2.43 -1.58 -2.23 114.38 109.37 1abb h ARG 277 Ca 0.00 -0.50 -0.58 0.00 -0.81 0.00 0.00 59.98 58.08 1abb h ARG 277 Cb 0.00 0.19 -0.31 0.00 -0.42 0.00 0.00 29.97 29.42 1abb h ARG 277 CO 0.00 1.24 -0.84 0.54 -1.51 0.00 0.00 179.97 179.40 1abb s VAL 278 N -2.53 1.53 0.72 0.20 0.11 -1.25 -1.03 120.40 118.14 1abb s VAL 278 Ca -0.20 -0.77 -0.11 0.00 -2.93 0.00 0.00 61.98 57.97 1abb s VAL 278 Cb 0.05 -1.32 0.02 0.00 -1.53 0.00 0.00 36.38 33.61 1abb s VAL 278 CO 0.79 0.44 1.08 -0.22 -3.33 0.00 0.00 175.10 173.86 1abb s LEU 279 N 0.07 2.91 -0.14 2.54 0.20 -1.18 -4.97 118.68 118.11 1abb s LEU 279 Ca -0.05 1.32 0.02 0.00 0.69 0.00 0.00 54.13 56.10 1abb s LEU 279 Cb -0.12 -4.12 0.00 0.00 -0.43 0.00 0.00 46.19 41.52 1abb s LEU 279 CO 0.03 -1.46 -0.20 -0.31 -0.29 0.00 0.00 176.35 174.13 1abb s TYR 280 N -3.22 2.70 0.00 5.38 2.02 -1.26 -4.96 117.35 118.02 1abb s TYR 280 Ca 0.58 -1.21 0.00 0.00 -0.37 0.00 0.00 57.07 56.07 1abb s TYR 280 Cb -0.12 -1.84 0.00 0.00 -0.40 0.00 0.00 41.96 39.60 1abb s TYR 280 CO 0.53 -0.55 0.00 -0.35 -1.57 0.00 0.00 175.55 173.62 1abb n PRO 281 N 4.02 0.00 0.00 -1.71 -0.04 -1.26 -5.12 135.00 130.89 1abb n PRO 281 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 1abb n PRO 281 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 1abb n PRO 281 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1abb n ASN 282 N 0.00 0.00 0.00 3.54 5.15 -1.26 -5.02 115.26 117.67 1abb n ASN 282 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1abb n ASN 282 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1abb n ASN 282 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1abb n GLU 287 N 0.00 0.00 -2.50 1.20 4.71 -1.26 -5.71 120.64 117.08 1abb n GLU 287 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.16 56.72 1abb n GLU 287 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 1abb n GLU 287 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1abb n GLY 288 N 0.00 4.49 3.54 0.62 0.00 -1.26 -5.01 105.19 107.57 1abb n GLY 288 Ca 0.00 -2.11 -0.40 0.00 0.00 0.00 0.00 46.02 43.51 1abb n GLY 288 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1abb s LYS 289 N 0.47 3.60 0.56 1.61 2.20 -1.26 -4.99 119.74 121.93 1abb s LYS 289 Ca 0.40 -0.57 0.36 0.00 -0.36 0.00 0.00 55.97 55.79 1abb s LYS 289 Cb 0.07 -3.75 1.47 0.00 -1.51 0.00 0.00 37.83 34.11 1abb s LYS 289 CO 0.01 -0.37 1.72 0.93 -0.36 0.00 0.00 175.35 177.28 1abb h GLU 290 N 8.45 0.00 -0.41 4.03 5.08 -1.99 0.24 114.58 129.98 1abb h GLU 290 Ca -0.32 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.92 1abb h GLU 290 Cb 1.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1abb h GLU 290 CO 0.61 0.00 -0.20 1.25 -1.00 0.00 0.00 179.01 179.67 1abb h LEU 291 N 0.00 0.81 0.01 1.33 6.46 -1.98 0.83 115.31 122.77 1abb h LEU 291 Ca 0.53 -0.28 -0.00 0.00 -0.12 0.00 0.00 57.88 58.01 1abb h LEU 291 Cb 2.34 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 42.04 1abb h LEU 291 CO -0.01 0.99 -0.01 0.03 -0.62 0.00 0.00 178.44 178.83 1abb h ARG 292 N 0.70 -0.02 -0.40 1.25 3.08 -0.93 -0.57 114.38 117.49 1abb h ARG 292 Ca 0.10 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 1abb h ARG 292 Cb 0.71 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 1abb h ARG 292 CO 0.05 0.11 0.12 1.25 -1.07 0.00 0.00 179.97 180.43 1abb h LEU 293 N -0.14 0.53 -0.91 3.04 5.85 -1.47 0.14 115.31 122.35 1abb h LEU 293 Ca -0.00 -0.07 -0.11 0.00 0.84 0.00 0.00 57.88 58.54 1abb h LEU 293 Cb 0.13 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1abb h LEU 293 CO 0.00 0.52 -0.52 0.11 -0.34 0.00 0.00 178.44 178.21 1abb h LYS 294 N 0.58 0.00 0.02 1.25 1.57 -0.54 -1.76 116.57 117.68 1abb h LYS 294 Ca 0.14 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.66 1abb h LYS 294 Cb 0.19 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.51 1abb h LYS 294 CO -0.01 0.52 -1.05 1.96 -0.57 0.00 0.00 179.45 180.30 1abb h GLN 295 N 0.00 0.59 0.35 3.15 4.20 0.79 -0.16 115.11 124.03 1abb h GLN 295 Ca -0.01 -0.67 -0.02 0.00 0.06 0.00 0.00 58.65 58.02 1abb h GLN 295 Cb 0.96 0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.94 1abb h GLN 295 CO 0.07 1.27 -0.17 0.93 -0.67 0.00 0.00 178.83 180.25 1abb h GLU 296 N 0.32 -0.46 -0.41 1.46 5.08 -0.81 -1.82 114.58 117.94 1abb h GLU 296 Ca -0.12 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.34 1abb h GLU 296 Cb 1.70 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 31.03 1abb h GLU 296 CO 0.20 -0.14 0.28 -0.92 -1.00 0.00 0.00 179.01 177.42 1abb h TYR 297 N -0.96 0.23 -0.34 4.33 3.20 -1.35 0.24 116.97 122.32 1abb h TYR 297 Ca -0.05 0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.89 1abb h TYR 297 Cb 0.52 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.66 1abb h TYR 297 CO 0.03 0.12 -0.01 0.35 -1.64 0.00 0.00 178.16 177.01 1abb h PHE 298 N 0.22 -0.03 -0.14 -3.82 3.57 -0.73 -2.36 116.94 113.65 1abb h PHE 298 Ca 0.19 0.03 -0.21 0.00 3.53 0.00 0.00 57.97 61.50 1abb h PHE 298 Cb 0.45 0.07 0.01 0.00 2.79 0.00 0.00 35.95 39.26 1abb h PHE 298 CO -0.00 -0.07 -0.75 -0.24 -2.23 0.00 0.00 178.31 175.03 1abb h VAL 299 N 0.09 1.30 0.59 1.41 3.04 0.34 -2.99 116.25 120.03 1abb h VAL 299 Ca 0.17 -1.99 -0.02 0.00 -1.01 0.00 0.00 66.70 63.84 1abb h VAL 299 Cb 0.23 1.98 -0.01 0.00 -2.01 0.00 0.00 31.29 31.48 1abb h VAL 299 CO -0.28 0.62 -0.40 0.58 -1.01 0.00 0.00 177.57 177.08 1abb h VAL 300 N 0.48 0.19 -0.45 1.51 2.07 -1.28 -1.98 116.25 116.79 1abb h VAL 300 Ca -0.04 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.54 1abb h VAL 300 Cb 1.36 0.19 -0.06 0.00 -1.52 0.00 0.00 31.29 31.26 1abb h VAL 300 CO 0.15 0.00 0.12 0.00 0.02 0.00 0.00 177.57 177.86 1abb h ALA 301 N -0.67 0.52 0.20 1.67 0.00 -1.50 -0.50 119.26 118.97 1abb h ALA 301 Ca -0.07 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1abb h ALA 301 Cb 0.79 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1abb h ALA 301 CO 0.05 -0.28 -0.10 0.00 0.00 0.00 0.00 179.25 178.93 1abb h ALA 302 N 1.32 -0.27 -0.73 0.00 0.00 -1.44 -3.05 119.26 115.10 1abb h ALA 302 Ca 0.22 -0.09 0.15 0.00 0.00 0.00 0.00 54.91 55.18 1abb h ALA 302 Cb 0.25 0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.04 1abb h ALA 302 CO -0.25 -0.61 0.25 1.15 0.00 0.00 0.00 179.25 179.78 1abb h THR 303 N -0.34 0.61 0.00 0.00 2.02 -0.70 0.19 112.91 114.69 1abb h THR 303 Ca -0.03 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1abb h THR 303 Cb 0.26 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 1abb h THR 303 CO 0.04 0.07 -0.09 0.18 0.37 0.00 0.00 175.52 176.10 1abb n LEU 304 N -5.06 0.61 0.05 2.58 4.32 -0.26 -1.10 117.00 118.14 1abb n LEU 304 Ca 0.14 0.50 -0.07 0.00 -0.02 0.00 0.00 56.01 56.56 1abb n LEU 304 Cb 0.42 -0.34 -0.12 0.00 -1.62 0.00 0.00 43.42 41.76 1abb n LEU 304 CO 0.16 -0.12 0.03 1.56 -1.22 0.00 0.00 177.39 177.81 1abb h GLN 305 N 0.00 0.00 -0.26 3.23 4.20 -0.86 -2.21 115.11 119.22 1abb h GLN 305 Ca 0.00 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 1abb h GLN 305 Cb 0.68 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 1abb h GLN 305 CO 0.00 0.89 -0.09 0.22 -0.67 0.00 0.00 178.83 179.18 1abb h ASP 306 N 0.00 0.52 0.00 1.46 1.82 -1.01 -0.23 116.42 118.98 1abb h ASP 306 Ca -0.06 -0.38 0.00 0.00 -0.39 0.00 0.00 57.03 56.20 1abb h ASP 306 Cb 1.80 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 41.66 1abb h ASP 306 CO 0.12 0.79 0.00 -0.38 -1.61 0.00 0.00 179.24 178.15 1abb n ILE 307 N -4.51 0.00 0.05 2.25 5.41 -0.26 -0.19 119.36 122.11 1abb n ILE 307 Ca -0.04 1.44 0.21 0.00 1.00 0.00 0.00 62.75 65.35 1abb n ILE 307 Cb 0.32 -2.39 0.74 0.00 -0.71 0.00 0.00 39.64 37.60 1abb n ILE 307 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1abb h ILE 308 N 0.00 0.53 0.56 1.39 2.04 -1.51 0.21 117.51 120.73 1abb h ILE 308 Ca 0.00 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 1abb h ILE 308 Cb 0.00 0.69 0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1abb h ILE 308 CO 0.00 0.00 -0.27 -0.09 0.00 0.00 0.00 178.15 177.79 1abb h ARG 309 N 0.00 -0.73 -0.16 2.37 2.43 -0.80 -2.04 114.38 115.46 1abb h ARG 309 Ca 0.22 0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.43 1abb h ARG 309 Cb 1.03 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 1abb h ARG 309 CO -0.00 -0.42 0.04 0.00 -1.51 0.00 0.00 179.97 178.08 1abb h ARG 310 N -0.99 0.21 0.81 0.20 3.08 0.24 -0.49 114.38 117.44 1abb h ARG 310 Ca -0.08 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.91 1abb h ARG 310 Cb 0.64 -0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.66 1abb h ARG 310 CO 0.13 0.20 -0.39 0.35 -1.07 0.00 0.00 179.97 179.19 1abb h PHE 311 N 0.22 -1.01 -0.72 3.04 3.57 -0.92 0.31 116.94 121.42 1abb h PHE 311 Ca 0.05 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1abb h PHE 311 Cb 0.08 0.33 -0.04 0.00 2.79 0.00 0.00 35.95 39.12 1abb h PHE 311 CO 0.00 -0.63 0.46 0.87 -2.23 0.00 0.00 178.31 176.78 1abb h LYS 312 N -1.22 0.97 0.63 1.11 1.57 -1.31 -3.30 116.57 115.01 1abb h LYS 312 Ca -0.11 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.56 1abb h LYS 312 Cb 0.83 -0.21 0.01 0.00 0.08 0.00 0.00 32.23 32.94 1abb h LYS 312 CO 0.18 0.67 -0.30 0.66 -0.57 0.00 0.00 179.45 180.09 1abb h SER 313 N 0.98 -0.71 0.00 0.86 4.64 -1.06 1.05 113.55 119.32 1abb h SER 313 Ca 0.26 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.59 1abb h SER 313 Cb -0.07 0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1abb h SER 313 CO -0.05 -0.36 0.51 -1.20 -0.87 0.00 0.00 176.83 174.86 1abb n SER 314 N -5.11 -0.93 0.00 4.97 7.64 0.11 -3.49 113.62 116.81 1abb n SER 314 Ca -0.10 -0.55 0.00 0.00 1.01 0.00 0.00 58.87 59.23 1abb n SER 314 Cb 0.33 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 1abb n SER 314 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1abb n LYS 315 N 3.57 0.00 0.07 1.43 4.01 -1.26 -4.60 118.16 121.37 1abb n LYS 315 Ca 0.01 0.00 0.12 0.00 -0.51 0.00 0.00 58.31 57.93 1abb n LYS 315 Cb 0.25 -2.95 0.15 0.00 -0.51 0.00 0.00 35.03 31.96 1abb n LYS 315 CO 0.00 0.00 0.00 0.35 -1.11 0.00 0.00 177.40 176.64 1abb h PHE 316 N 0.00 0.00 0.00 2.13 3.04 -1.70 -1.08 116.94 119.33 1abb h PHE 316 Ca 0.00 0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.91 1abb h PHE 316 Cb 0.00 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.50 1abb h PHE 316 CO 0.00 0.00 -0.18 0.78 -2.02 0.00 0.00 178.31 176.89 1abb h GLY 317 N 4.45 0.00 0.00 2.40 0.00 0.11 -0.82 103.07 109.21 1abb h GLY 317 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1abb h GLY 317 CO 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 176.54 176.52 1abb n ARG 319 N -4.63 3.14 -0.03 0.00 0.00 -0.35 -4.65 116.66 110.14 1abb n ARG 319 Ca -0.09 -2.54 -0.14 0.00 -0.00 0.00 0.00 57.85 55.08 1abb n ARG 319 Cb 0.42 -3.13 -0.10 0.00 0.00 0.00 0.00 32.46 29.65 1abb n ARG 319 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 1abb h ASP 320 N 5.69 0.22 0.00 6.15 1.82 -1.68 -3.44 116.42 125.18 1abb h ASP 320 Ca 0.65 -0.63 0.00 0.00 -0.39 0.00 0.00 57.03 56.66 1abb h ASP 320 Cb 0.53 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.48 1abb h ASP 320 CO 1.85 0.81 0.00 -2.65 -1.61 0.00 0.00 179.24 177.64 1abb n PRO 321 N -4.60 0.00 -3.59 0.28 -0.02 -1.26 -2.14 135.00 123.67 1abb n PRO 321 Ca -0.08 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.27 1abb n PRO 321 Cb 0.41 0.00 -0.12 0.00 -0.02 0.00 0.00 33.50 33.77 1abb n PRO 321 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1abb s VAL 322 N 0.00 -0.46 0.00 -1.45 0.11 -1.26 -4.90 120.40 112.45 1abb s VAL 322 Ca 0.00 0.16 0.00 0.00 -2.93 0.00 0.00 61.98 59.21 1abb s VAL 322 Cb 0.00 -0.56 0.00 0.00 -1.53 0.00 0.00 36.38 34.29 1abb s VAL 322 CO 0.00 0.03 0.00 0.54 -3.33 0.00 0.00 175.10 172.34 1abb n ARG 323 N 5.35 0.00 -3.28 1.54 5.12 -1.26 0.13 116.66 124.27 1abb n ARG 323 Ca -0.06 0.00 -0.15 0.00 -1.93 0.00 0.00 57.85 55.71 1abb n ARG 323 Cb 0.50 -3.73 0.08 0.00 -1.16 0.00 0.00 32.46 28.15 1abb n ARG 323 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1abb n THR 324 N -2.00 -6.52 -1.71 0.55 -1.04 -1.25 -4.74 114.28 97.57 1abb n THR 324 Ca 0.00 -0.70 -0.43 0.00 -2.04 0.00 0.00 64.05 60.87 1abb n THR 324 Cb 0.00 -5.27 -0.03 0.00 -1.82 0.00 0.00 70.33 63.21 1abb n THR 324 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1abb n ASN 325 N -3.03 3.56 0.27 8.00 2.85 0.36 -4.85 115.26 122.42 1abb n ASN 325 Ca -0.21 1.11 0.17 0.00 -0.11 0.00 0.00 54.58 55.54 1abb n ASN 325 Cb 0.65 -1.53 0.94 0.00 1.24 0.00 0.00 39.78 41.08 1abb n ASN 325 CO 0.00 0.00 0.00 -0.26 -2.11 0.00 0.00 177.26 174.89 1abb h PHE 326 N 5.57 0.00 -0.78 1.20 0.04 -1.85 0.36 116.94 121.47 1abb h PHE 326 Ca -0.45 0.00 0.18 0.00 2.80 0.00 0.00 57.97 60.50 1abb h PHE 326 Cb 1.23 0.00 -0.13 0.00 2.20 0.00 0.00 35.95 39.26 1abb h PHE 326 CO 0.61 0.00 0.13 -0.44 -0.60 0.00 0.00 178.31 178.01 1abb h ASP 327 N 0.00 -0.12 -0.48 2.17 3.32 -1.90 0.76 116.42 120.17 1abb h ASP 327 Ca 0.00 0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1abb h ASP 327 Cb 0.10 0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1abb h ASP 327 CO 0.00 -0.12 0.00 0.00 -1.72 0.00 0.00 179.24 177.40 1abb n ALA 328 N -2.77 2.43 0.11 3.45 0.00 0.13 -4.49 120.51 119.36 1abb n ALA 328 Ca 0.16 -0.84 -0.13 0.00 0.00 0.00 0.00 53.44 52.62 1abb n ALA 328 Cb 0.52 -0.96 -0.08 0.00 0.00 0.00 0.00 19.45 18.94 1abb n ALA 328 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1abb h PHE 329 N 2.81 -0.17 0.00 0.00 3.57 -0.88 -1.92 116.94 120.35 1abb h PHE 329 Ca 0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1abb h PHE 329 Cb 0.64 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.44 1abb h PHE 329 CO 0.32 -0.08 0.00 -1.00 -2.23 0.00 0.00 178.31 175.32 1abb h PRO 330 N -0.22 0.00 0.00 6.41 0.13 -1.79 0.25 132.00 136.78 1abb h PRO 330 Ca -0.02 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.06 1abb h PRO 330 Cb 0.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.29 1abb h PRO 330 CO 0.03 0.00 -0.22 -0.44 -0.23 0.00 0.00 178.00 177.14 1abb h ASP 331 N 0.00 0.00 0.00 1.44 5.19 -1.66 -3.34 116.42 118.05 1abb h ASP 331 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1abb h ASP 331 Cb 0.17 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.68 1abb h ASP 331 CO 0.00 0.22 -0.53 0.29 -3.12 0.00 0.00 179.24 176.10 1abb n LYS 332 N -3.16 3.54 -4.83 3.56 4.01 0.56 -4.53 118.16 117.32 1abb n LYS 332 Ca 0.03 -0.01 -0.27 0.00 -0.51 0.00 0.00 58.31 57.56 1abb n LYS 332 Cb 0.61 -0.98 -0.15 0.00 -0.51 0.00 0.00 35.03 34.01 1abb n LYS 332 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1abb s VAL 333 N -1.97 1.71 -0.08 -0.18 1.01 0.53 -3.00 120.40 118.42 1abb s VAL 333 Ca 0.03 -1.09 0.02 0.00 0.00 0.00 0.00 61.98 60.93 1abb s VAL 333 Cb 0.07 -1.46 0.02 0.00 0.00 0.00 0.00 36.38 35.01 1abb s VAL 333 CO 0.40 0.33 -0.12 0.00 0.00 0.00 0.00 175.10 175.71 1abb s ALA 334 N -0.68 1.29 -0.31 5.51 0.00 -0.82 -4.58 121.76 122.17 1abb s ALA 334 Ca 0.08 -0.45 -0.07 0.00 0.00 0.00 0.00 51.96 51.52 1abb s ALA 334 Cb -0.09 -0.64 0.02 0.00 0.00 0.00 0.00 23.12 22.41 1abb s ALA 334 CO 0.01 0.02 0.10 0.42 0.00 0.00 0.00 175.76 176.30 1abb s ILE 335 N 0.85 3.97 -0.42 0.00 1.01 -0.60 -0.69 121.20 125.33 1abb s ILE 335 Ca -0.11 -0.82 -0.21 0.00 0.00 0.00 0.00 60.65 59.52 1abb s ILE 335 Cb -0.15 -3.11 0.02 0.00 0.01 0.00 0.00 42.46 39.22 1abb s ILE 335 CO 0.01 -0.01 0.64 -1.10 0.00 0.00 0.00 174.94 174.48 1abb s GLN 336 N 1.48 3.39 -1.08 2.79 -1.52 0.32 -1.97 119.66 123.06 1abb s GLN 336 Ca 0.01 -0.27 -0.22 0.00 -1.95 0.00 0.00 55.36 52.94 1abb s GLN 336 Cb -0.18 -3.91 -0.00 0.00 -0.22 0.00 0.00 33.01 28.70 1abb s GLN 336 CO 0.03 -0.93 1.75 -0.51 -0.25 0.00 0.00 175.29 175.38 1abb s LEU 337 N 2.78 3.38 -0.81 2.90 1.02 -0.08 -2.50 118.68 125.37 1abb s LEU 337 Ca 0.23 -1.50 -0.25 0.00 0.02 0.00 0.00 54.13 52.63 1abb s LEU 337 Cb -0.14 -2.57 -0.06 0.00 0.02 0.00 0.00 46.19 43.43 1abb s LEU 337 CO 0.18 -2.12 2.06 0.21 0.02 0.00 0.00 176.35 176.70 1abb s ASN 338 N 5.99 4.85 0.00 2.29 2.47 -0.99 -2.35 114.94 127.21 1abb s ASN 338 Ca 0.59 -0.27 0.00 0.00 0.42 0.00 0.00 52.86 53.60 1abb s ASN 338 Cb -0.01 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.24 1abb s ASN 338 CO 0.01 -2.94 0.00 -0.67 -3.72 0.00 0.00 177.10 169.78 1abb n ASP 339 N 14.91 0.00 0.00 -4.21 2.03 -0.80 -4.54 116.55 123.95 1abb n ASP 339 Ca 0.38 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.83 1abb n ASP 339 Cb 0.47 0.00 0.82 0.00 -0.72 0.00 0.00 41.12 41.70 1abb n ASP 339 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1abb n THR 340 N -0.62 0.00 0.09 5.18 -2.24 -1.26 -4.08 114.28 111.34 1abb n THR 340 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 1abb n THR 340 Cb 0.00 -0.47 -0.08 0.00 -2.10 0.00 0.00 70.33 67.67 1abb n THR 340 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1abb h HIS 341 N 0.00 -0.23 0.00 4.78 3.86 -1.95 -2.43 115.15 119.18 1abb h HIS 341 Ca 0.00 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1abb h HIS 341 Cb 0.00 0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.54 1abb h HIS 341 CO 0.00 0.13 0.00 -2.30 0.86 0.00 0.00 177.93 176.62 1abb n PRO 342 N -5.03 0.23 0.22 2.45 -0.02 -1.26 -4.53 135.00 127.06 1abb n PRO 342 Ca -0.09 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.45 1abb n PRO 342 Cb 0.24 -1.03 0.49 0.00 -0.02 0.00 0.00 33.50 33.18 1abb n PRO 342 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1abb h SER 343 N 0.19 0.00 0.00 2.55 4.64 -1.69 -0.47 113.55 118.76 1abb h SER 343 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1abb h SER 343 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1abb h SER 343 CO 0.00 0.24 0.00 0.18 -0.87 0.00 0.00 176.83 176.38 1abb n LEU 344 N -4.11 0.00 0.15 5.97 4.77 -1.26 -0.58 117.00 121.93 1abb n LEU 344 Ca -0.02 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.01 1abb n LEU 344 Cb 0.30 0.00 0.50 0.00 -2.33 0.00 0.00 43.42 41.90 1abb n LEU 344 CO 0.36 0.00 1.03 0.00 -1.33 0.00 0.00 177.39 177.45 1abb h ALA 345 N 2.40 1.76 0.00 -1.18 0.00 -1.44 -0.16 119.26 120.64 1abb h ALA 345 Ca 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1abb h ALA 345 Cb 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1abb h ALA 345 CO 0.00 0.19 -0.02 0.82 0.00 0.00 0.00 179.25 180.24 1abb h ILE 346 N 0.20 0.56 0.00 0.00 2.04 -1.09 -1.59 117.51 117.62 1abb h ILE 346 Ca 0.05 -1.42 0.00 0.00 1.00 0.00 0.00 64.86 64.49 1abb h ILE 346 Cb 0.12 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1abb h ILE 346 CO 0.00 0.19 0.00 1.55 0.00 0.00 0.00 178.15 179.89 1abb h PRO 347 N -1.00 0.00 0.07 2.37 0.13 -1.71 -2.84 132.00 129.02 1abb h PRO 347 Ca -0.00 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.92 1abb h PRO 347 Cb 0.32 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.45 1abb h PRO 347 CO -0.00 0.00 -1.05 1.49 -0.23 0.00 0.00 178.00 178.21 1abb h GLU 348 N 0.00 0.16 -0.55 0.86 4.57 -1.00 -3.09 114.58 115.52 1abb h GLU 348 Ca 0.00 -0.27 0.01 0.00 -1.18 0.00 0.00 59.36 57.93 1abb h GLU 348 Cb 0.08 0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.74 1abb h GLU 348 CO 0.00 1.13 0.37 1.25 -1.18 0.00 0.00 179.01 180.57 1abb h LEU 349 N -0.58 0.60 -0.73 1.64 5.85 -1.24 -0.44 115.31 120.42 1abb h LEU 349 Ca -0.24 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.41 1abb h LEU 349 Cb 1.51 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.37 1abb h LEU 349 CO 0.01 0.43 0.20 0.24 -0.34 0.00 0.00 178.44 178.97 1abb h MET 350 N 0.71 1.15 0.48 1.25 2.86 -1.62 -0.94 114.93 118.83 1abb h MET 350 Ca 0.21 -0.27 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1abb h MET 350 Cb -0.02 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.48 1abb h MET 350 CO -0.05 1.00 -0.23 -0.09 1.06 0.00 0.00 176.91 178.60 1abb h ARG 351 N 1.10 -0.62 -0.02 1.72 2.43 -1.05 0.62 114.38 118.55 1abb h ARG 351 Ca 0.23 0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.48 1abb h ARG 351 Cb 0.35 0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 29.99 1abb h ARG 351 CO -0.00 -0.34 -0.34 0.28 -1.51 0.00 0.00 179.97 178.06 1abb h VAL 352 N -0.82 0.26 -0.77 0.20 2.07 -1.12 0.30 116.25 116.37 1abb h VAL 352 Ca -0.07 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.48 1abb h VAL 352 Cb 0.57 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 1abb h VAL 352 CO 0.11 0.00 0.50 -0.07 0.02 0.00 0.00 177.57 178.12 1abb h LEU 353 N -0.49 0.83 0.00 2.57 3.38 -0.60 -0.97 115.31 120.04 1abb h LEU 353 Ca 0.06 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1abb h LEU 353 Cb 0.58 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1abb h LEU 353 CO -0.29 0.58 -0.37 0.58 0.09 0.00 0.00 178.44 179.03 1abb h VAL 354 N 0.98 0.77 0.12 1.22 2.07 0.56 -0.90 116.25 121.06 1abb h VAL 354 Ca 0.30 -1.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.14 1abb h VAL 354 Cb -0.02 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1abb h VAL 354 CO -0.10 0.26 -0.06 0.44 0.02 0.00 0.00 177.57 178.14 1abb h ASP 355 N -1.00 -0.13 -0.44 0.57 3.32 -0.46 -3.31 116.42 114.97 1abb h ASP 355 Ca -0.08 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.90 1abb h ASP 355 Cb 0.69 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 1abb h ASP 355 CO -0.05 0.21 -0.05 -0.07 -1.72 0.00 0.00 179.24 177.57 1abb h LEU 356 N -0.76 0.80 0.00 1.55 4.07 -1.18 -3.36 115.31 116.43 1abb h LEU 356 Ca -0.02 -0.33 0.00 0.00 0.08 0.00 0.00 57.88 57.61 1abb h LEU 356 Cb 0.12 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 41.64 1abb h LEU 356 CO 0.03 0.94 0.00 -0.62 -1.08 0.00 0.00 178.44 177.71 1abb n GLU 357 N -4.35 0.00 0.00 1.13 -0.58 -0.85 -5.05 120.64 110.95 1abb n GLU 357 Ca -0.00 0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 1abb n GLU 357 Cb 0.33 -0.57 0.00 0.00 -0.57 0.00 0.00 31.44 30.63 1abb n GLU 357 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1abb n ARG 358 N -0.96 0.00 -1.29 3.49 3.00 -0.76 -5.03 116.66 115.11 1abb n ARG 358 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.54 1abb n ARG 358 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 32.46 32.55 1abb n ARG 358 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1abb s LEU 359 N 0.00 3.00 0.75 6.15 1.43 -0.41 -4.92 118.68 124.67 1abb s LEU 359 Ca 0.00 1.78 -0.07 0.00 -1.03 0.00 0.00 54.13 54.81 1abb s LEU 359 Cb 0.00 -4.48 0.10 0.00 0.03 0.00 0.00 46.19 41.84 1abb s LEU 359 CO 0.00 -2.00 1.06 1.51 0.23 0.00 0.00 176.35 177.15 1abb s ASP 360 N -3.45 4.43 0.37 2.29 -4.77 -1.26 -4.33 116.67 109.96 1abb s ASP 360 Ca 0.61 0.26 0.07 0.00 -3.30 0.00 0.00 52.55 50.18 1abb s ASP 360 Cb -0.17 -0.75 0.74 0.00 -1.09 0.00 0.00 42.92 41.65 1abb s ASP 360 CO 0.56 -1.84 1.94 -0.25 0.70 0.00 0.00 175.17 176.28 1abb h TRP 361 N -0.76 0.43 0.00 2.11 7.01 -1.97 0.13 115.95 122.91 1abb h TRP 361 Ca -0.43 -0.03 -0.25 0.00 2.11 0.00 0.00 58.89 60.30 1abb h TRP 361 Cb 1.29 -0.13 -0.04 0.00 -2.10 0.00 0.00 29.16 28.18 1abb h TRP 361 CO -0.03 0.42 -1.32 -0.44 -2.79 0.00 0.00 178.44 174.28 1abb h ASP 362 N 0.42 0.00 -0.19 2.65 3.32 -1.99 -0.25 116.42 120.38 1abb h ASP 362 Ca 0.10 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.01 1abb h ASP 362 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1abb h ASP 362 CO 0.00 1.00 -0.42 0.50 -1.72 0.00 0.00 179.24 178.60 1abb h LYS 363 N 0.00 0.62 -0.29 3.56 1.63 -1.83 -2.89 116.57 117.37 1abb h LYS 363 Ca -0.14 -0.41 -0.07 0.00 -0.85 0.00 0.00 60.65 59.19 1abb h LYS 363 Cb 1.88 0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 33.55 1abb h LYS 363 CO 0.11 1.03 -0.10 0.00 -3.45 0.00 0.00 179.45 177.03 1abb h ALA 364 N 0.59 1.29 -0.09 5.00 0.00 -0.64 -2.08 119.26 123.33 1abb h ALA 364 Ca 0.00 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 1abb h ALA 364 Cb 1.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1abb h ALA 364 CO 0.09 0.47 -0.44 2.35 0.00 0.00 0.00 179.25 181.73 1abb h TRP 365 N 0.44 0.23 0.21 0.00 -0.00 -1.06 -2.46 115.95 113.32 1abb h TRP 365 Ca 0.09 -0.07 -0.01 0.00 -0.00 0.00 0.00 58.89 58.90 1abb h TRP 365 Cb 0.45 -0.05 0.00 0.00 -0.00 0.00 0.00 29.16 29.57 1abb h TRP 365 CO 0.01 0.60 -0.10 1.49 -0.00 0.00 0.00 178.44 180.45 1abb h GLU 366 N 0.16 -0.27 -0.76 2.65 4.81 -1.16 -1.71 114.58 118.30 1abb h GLU 366 Ca 0.01 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1abb h GLU 366 Cb 0.84 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.25 1abb h GLU 366 CO 0.07 -0.18 0.43 0.28 -0.73 0.00 0.00 179.01 178.88 1abb h VAL 367 N -0.29 1.23 0.19 0.32 2.07 -1.36 -2.22 116.25 116.18 1abb h VAL 367 Ca -0.03 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 1abb h VAL 367 Cb 0.23 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1abb h VAL 367 CO 0.05 0.25 -0.09 0.74 0.02 0.00 0.00 177.57 178.54 1abb h THR 368 N 1.05 0.00 -0.80 2.57 2.02 -0.95 0.52 112.91 117.31 1abb h THR 368 Ca 0.27 -0.06 0.20 0.00 0.77 0.00 0.00 66.41 67.59 1abb h THR 368 Cb 0.02 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.30 1abb h THR 368 CO -0.04 0.00 0.13 0.58 0.37 0.00 0.00 175.52 176.55 1abb h VAL 369 N -0.31 0.36 0.00 3.16 2.07 -1.35 0.85 116.25 121.03 1abb h VAL 369 Ca -0.03 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1abb h VAL 369 Cb 0.19 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1abb h VAL 369 CO 0.04 0.03 0.00 0.11 0.02 0.00 0.00 177.57 177.77 1abb h LYS 370 N 0.17 0.00 0.12 1.57 1.57 -1.24 -3.10 116.57 115.67 1abb h LYS 370 Ca 0.47 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.97 1abb h LYS 370 Cb 0.88 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.19 1abb h LYS 370 CO -0.64 0.00 -1.41 1.15 -0.57 0.00 0.00 179.45 177.98 1abb h THR 371 N 0.00 1.05 -3.36 -0.16 2.02 0.29 -3.46 112.91 109.30 1abb h THR 371 Ca 0.00 -2.42 -0.56 0.00 0.77 0.00 0.00 66.41 64.20 1abb h THR 371 Cb 0.42 2.75 -0.06 0.00 -1.74 0.00 0.00 68.15 69.52 1abb h THR 371 CO 0.00 0.72 0.04 0.00 0.37 0.00 0.00 175.52 176.65 1abb s ALA 373 N 0.80 1.13 -0.18 0.00 0.00 -0.83 -1.60 121.76 121.07 1abb s ALA 373 Ca 0.35 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.35 1abb s ALA 373 Cb -0.17 -0.10 0.04 0.00 0.00 0.00 0.00 23.12 22.89 1abb s ALA 373 CO 0.16 0.16 -0.07 -0.47 0.00 0.00 0.00 175.76 175.54 1abb s TYR 374 N -1.22 1.97 -0.24 0.00 5.04 -0.64 -0.90 117.35 121.36 1abb s TYR 374 Ca -0.02 -1.27 -0.20 0.00 -2.44 0.00 0.00 57.07 53.15 1abb s TYR 374 Cb -0.10 -1.44 -0.02 0.00 0.35 0.00 0.00 41.96 40.75 1abb s TYR 374 CO 0.02 -0.66 0.60 0.99 -1.34 0.00 0.00 175.55 175.15 1abb s THR 375 N 1.54 5.02 -0.04 4.34 2.01 -0.99 -2.26 115.64 125.26 1abb s THR 375 Ca 0.00 1.08 -0.09 0.00 0.31 0.00 0.00 61.69 62.99 1abb s THR 375 Cb -0.15 -3.91 -0.05 0.00 0.01 0.00 0.00 72.50 68.40 1abb s THR 375 CO -0.08 0.07 0.26 0.21 -0.69 0.00 0.00 174.62 174.40 1abb s ASN 376 N 1.38 6.55 0.00 3.53 3.84 -0.28 -1.90 114.94 128.07 1abb s ASN 376 Ca 0.26 0.65 0.00 0.00 0.21 0.00 0.00 52.86 53.98 1abb s ASN 376 Cb -0.16 -2.13 0.00 0.00 -0.55 0.00 0.00 41.25 38.41 1abb s ASN 376 CO 0.09 0.33 0.84 1.41 -2.79 0.00 0.00 177.10 176.99 1abb n HIS 377 N 1.66 0.00 -4.17 0.43 8.25 -1.26 -4.47 115.22 115.66 1abb n HIS 377 Ca -0.15 -0.36 -0.27 0.00 -0.26 0.00 0.00 57.72 56.68 1abb n HIS 377 Cb 0.54 -0.04 -0.08 0.00 1.12 0.00 0.00 29.99 31.53 1abb n HIS 377 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1abb s THR 378 N -0.71 3.86 -0.09 1.59 -4.23 -1.26 -4.77 115.64 110.02 1abb s THR 378 Ca 0.00 -1.28 -0.01 0.00 -1.18 0.00 0.00 61.69 59.23 1abb s THR 378 Cb 0.00 -2.91 -0.05 0.00 1.34 0.00 0.00 72.50 70.88 1abb s THR 378 CO 0.00 -0.04 -0.09 0.55 -0.54 0.00 0.00 174.62 174.50 1abb n VAL 379 N 0.06 0.49 -2.74 2.29 3.14 -1.26 -4.97 118.33 115.34 1abb n VAL 379 Ca -0.10 -0.17 -0.42 0.00 -2.96 0.00 0.00 64.34 60.69 1abb n VAL 379 Cb 0.54 -1.04 -0.03 0.00 -1.06 0.00 0.00 33.84 32.25 1abb n VAL 379 CO 0.00 0.00 0.00 -0.51 -6.46 0.00 0.00 176.83 169.86 1abb s ILE 380 N -2.17 4.75 0.57 1.55 1.10 -1.26 -4.91 121.20 120.83 1abb s ILE 380 Ca -0.12 1.90 0.32 0.00 -0.51 0.00 0.00 60.65 62.24 1abb s ILE 380 Cb 0.03 -4.25 0.46 0.00 0.15 0.00 0.00 42.46 38.85 1abb s ILE 380 CO 0.18 -0.10 1.81 -0.65 -2.11 0.00 0.00 174.94 174.07 1abb h PRO 381 N 7.42 0.00 0.00 3.50 0.11 -1.99 -1.51 132.00 139.52 1abb h PRO 381 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1abb h PRO 381 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1abb h PRO 381 CO 0.92 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 179.10 1abb n GLU 382 N -3.93 0.00 -0.04 1.05 4.71 -1.26 -3.06 120.64 118.12 1abb n GLU 382 Ca 0.17 0.44 0.02 0.00 -0.01 0.00 0.00 57.16 57.79 1abb n GLU 382 Cb 0.99 -1.50 -0.14 0.00 -1.01 0.00 0.00 31.44 29.78 1abb n GLU 382 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1abb n ALA 383 N -1.48 2.23 -1.70 0.62 0.00 -0.57 -5.03 120.51 114.59 1abb n ALA 383 Ca 0.01 -0.69 -0.42 0.00 0.00 0.00 0.00 53.44 52.33 1abb n ALA 383 Cb 0.02 -0.41 -0.00 0.00 0.00 0.00 0.00 19.45 19.06 1abb n ALA 383 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1abb n LEU 384 N -2.32 3.63 -4.79 0.00 4.32 -1.17 -4.92 117.00 111.75 1abb n LEU 384 Ca -0.13 1.18 -0.39 0.00 -0.02 0.00 0.00 56.01 56.66 1abb n LEU 384 Cb 0.69 -1.48 -0.06 0.00 -1.62 0.00 0.00 43.42 40.95 1abb n LEU 384 CO 0.36 -0.54 0.27 -0.70 -1.22 0.00 0.00 177.39 175.57 1abb s GLU 385 N -1.95 4.24 -0.09 3.23 2.12 -1.26 -4.97 118.70 120.01 1abb s GLU 385 Ca 0.57 0.72 -0.04 0.00 0.36 0.00 0.00 54.97 56.57 1abb s GLU 385 Cb -0.56 -3.28 0.05 0.00 0.26 0.00 0.00 34.13 30.60 1abb s GLU 385 CO 0.61 0.53 0.20 0.50 -0.54 0.00 0.00 175.26 176.56 1abb s ARG 386 N -0.72 0.13 -0.14 4.30 3.52 -1.26 -1.64 118.95 123.13 1abb s ARG 386 Ca 0.29 0.51 0.01 0.00 -0.13 0.00 0.00 55.73 56.42 1abb s ARG 386 Cb -0.19 -0.16 -0.00 0.00 -1.56 0.00 0.00 34.95 33.04 1abb s ARG 386 CO 0.18 -0.21 -0.16 -1.58 -0.81 0.00 0.00 175.30 172.72 1abb s TRP 387 N 1.59 2.75 0.02 5.12 0.52 -0.50 -4.85 118.94 123.59 1abb s TRP 387 Ca -0.05 -0.95 -0.39 0.00 0.02 0.00 0.00 56.10 54.72 1abb s TRP 387 Cb -0.11 -1.85 -0.19 0.00 -1.15 0.00 0.00 33.47 30.17 1abb s TRP 387 CO -0.07 -0.41 1.20 -2.30 0.02 0.00 0.00 176.95 175.40 1abb n PRO 388 N 3.84 0.47 0.25 4.98 -0.02 -1.26 -1.06 135.00 142.21 1abb n PRO 388 Ca -0.19 0.17 0.10 0.00 -2.02 0.00 0.00 63.50 61.56 1abb n PRO 388 Cb 0.52 -1.73 0.65 0.00 -0.02 0.00 0.00 33.50 32.92 1abb n PRO 388 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1abb h VAL 389 N 3.22 0.79 0.00 -1.45 -1.51 -1.30 -1.34 116.25 114.67 1abb h VAL 389 Ca -0.49 -0.55 0.00 0.00 -1.23 0.00 0.00 66.70 64.43 1abb h VAL 389 Cb 1.39 1.32 0.00 0.00 -2.13 0.00 0.00 31.29 31.87 1abb h VAL 389 CO 0.71 0.14 0.00 0.00 -1.23 0.00 0.00 177.57 177.19 1abb n HIS 390 N -3.93 0.24 -0.05 5.19 1.44 -1.26 -0.94 115.22 115.91 1abb n HIS 390 Ca -0.02 0.11 -0.22 0.00 -2.01 0.00 0.00 57.72 55.58 1abb n HIS 390 Cb 0.23 -0.67 -0.13 0.00 0.12 0.00 0.00 29.99 29.54 1abb n HIS 390 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 1abb n LEU 391 N -1.73 2.39 -0.22 2.39 0.00 -0.51 -3.56 117.00 115.76 1abb n LEU 391 Ca 0.02 0.25 -0.08 0.00 0.00 0.00 0.00 56.01 56.19 1abb n LEU 391 Cb 0.11 -1.04 0.04 0.00 0.00 0.00 0.00 43.42 42.54 1abb n LEU 391 CO 0.10 0.67 0.85 -0.07 0.00 0.00 0.00 177.39 178.95 1abb h LEU 392 N -0.33 1.05 -0.43 -1.96 4.07 -1.49 0.78 115.31 117.00 1abb h LEU 392 Ca -0.44 -0.28 -0.01 0.00 0.08 0.00 0.00 57.88 57.23 1abb h LEU 392 Cb 1.78 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 43.21 1abb h LEU 392 CO -0.05 1.08 0.22 -0.33 -1.08 0.00 0.00 178.44 178.28 1abb h GLU 393 N 1.00 0.61 -0.31 1.13 5.08 -1.21 0.31 114.58 121.19 1abb h GLU 393 Ca 0.18 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1abb h GLU 393 Cb 0.52 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1abb h GLU 393 CO 0.02 0.51 0.09 1.15 -1.00 0.00 0.00 179.01 179.79 1abb h THR 394 N 0.56 1.21 0.00 1.13 2.02 -1.54 -2.74 112.91 113.54 1abb h THR 394 Ca 0.15 -0.68 -0.16 0.00 0.77 0.00 0.00 66.41 66.49 1abb h THR 394 Cb 0.09 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 1abb h THR 394 CO -0.02 0.23 -1.87 0.00 0.37 0.00 0.00 175.52 174.23 1abb n LEU 395 N -4.68 0.00 -2.83 2.58 -0.00 0.24 -4.40 117.00 107.91 1abb n LEU 395 Ca -0.02 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.71 1abb n LEU 395 Cb 0.17 0.22 -0.02 0.00 -0.00 0.00 0.00 43.42 43.79 1abb n LEU 395 CO 0.37 0.22 0.27 0.18 -0.00 0.00 0.00 177.39 178.42 1abb n LEU 396 N -2.34 4.79 0.30 1.47 4.32 0.07 -0.51 117.00 125.09 1abb n LEU 396 Ca -0.16 -5.51 0.13 0.00 -0.02 0.00 0.00 56.01 50.46 1abb n LEU 396 Cb 0.75 -0.57 0.65 0.00 -1.62 0.00 0.00 43.42 42.63 1abb n LEU 396 CO 0.31 2.29 1.11 1.55 -1.22 0.00 0.00 177.39 181.43 1abb h PRO 397 N 2.92 0.00 0.17 3.23 0.13 -1.19 -0.49 132.00 136.77 1abb h PRO 397 Ca 0.21 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.99 1abb h PRO 397 Cb 0.61 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.74 1abb h PRO 397 CO 0.86 0.00 -1.78 -0.09 -0.23 0.00 0.00 178.00 176.76 1abb h ARG 398 N 0.00 0.35 0.00 0.86 9.65 -1.88 -3.27 114.38 120.09 1abb h ARG 398 Ca 0.03 -0.60 0.00 0.00 -1.10 0.00 0.00 59.98 58.31 1abb h ARG 398 Cb 1.01 0.22 0.00 0.00 -1.39 0.00 0.00 29.97 29.82 1abb h ARG 398 CO -0.00 1.27 0.00 0.45 2.80 0.00 0.00 179.97 184.49 1abb h HIS 399 N 0.10 0.00 -0.41 2.20 3.86 -1.47 -1.92 115.15 117.50 1abb h HIS 399 Ca -0.35 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 58.73 1abb h HIS 399 Cb 2.08 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 30.54 1abb h HIS 399 CO 0.09 0.00 -0.25 1.25 0.86 0.00 0.00 177.93 179.89 1abb h LEU 400 N 0.00 0.93 0.32 2.43 6.46 -1.48 -1.39 115.31 122.58 1abb h LEU 400 Ca 0.00 -0.42 0.00 0.00 -0.12 0.00 0.00 57.88 57.34 1abb h LEU 400 Cb 0.63 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 40.27 1abb h LEU 400 CO 0.00 1.15 -0.44 1.56 -0.62 0.00 0.00 178.44 180.09 1abb h GLN 401 N 0.72 -0.78 -0.37 1.25 4.20 -1.40 -0.83 115.11 117.90 1abb h GLN 401 Ca 0.09 0.05 0.06 0.00 0.06 0.00 0.00 58.65 58.91 1abb h GLN 401 Cb 0.82 0.18 -0.05 0.00 0.30 0.00 0.00 27.48 28.72 1abb h GLN 401 CO 0.07 -0.52 0.05 0.82 -0.67 0.00 0.00 178.83 178.58 1abb h ILE 402 N -0.81 0.78 -0.31 2.54 2.04 -1.52 -0.07 117.51 120.17 1abb h ILE 402 Ca -0.02 -0.05 -0.04 0.00 1.00 0.00 0.00 64.86 65.75 1abb h ILE 402 Cb 0.75 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 1abb h ILE 402 CO -0.13 0.03 0.04 0.40 0.00 0.00 0.00 178.15 178.48 1abb h ILE 403 N 0.16 1.17 -0.34 -0.67 2.04 -0.80 0.23 117.51 119.30 1abb h ILE 403 Ca 0.18 -0.62 -0.15 0.00 1.00 0.00 0.00 64.86 65.27 1abb h ILE 403 Cb 0.22 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1abb h ILE 403 CO -0.26 0.22 -0.38 1.88 0.00 0.00 0.00 178.15 179.61 1abb h TYR 404 N 0.45 0.96 -0.23 1.37 0.05 0.40 -1.95 116.97 118.02 1abb h TYR 404 Ca 0.10 -0.28 -0.15 0.00 0.05 0.00 0.00 58.73 58.46 1abb h TYR 404 Cb 0.24 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 37.76 1abb h TYR 404 CO 0.01 1.05 -0.47 1.49 -1.05 0.00 0.00 178.16 179.19 1abb h GLU 405 N 0.66 0.59 -0.39 4.88 4.57 0.20 -0.88 114.58 124.22 1abb h GLU 405 Ca 0.06 -0.33 0.06 0.00 -1.18 0.00 0.00 59.36 57.97 1abb h GLU 405 Cb 0.94 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.49 1abb h GLU 405 CO 0.09 0.93 0.06 0.82 -1.18 0.00 0.00 179.01 179.73 1abb h ILE 406 N 0.47 0.78 -0.47 2.32 2.04 -0.61 -1.63 117.51 120.42 1abb h ILE 406 Ca 0.03 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 1abb h ILE 406 Cb 0.99 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 1abb h ILE 406 CO 0.09 0.03 0.24 -1.13 0.00 0.00 0.00 178.15 177.39 1abb h ASN 407 N 0.18 0.61 0.32 1.72 -1.24 -0.48 -1.52 115.58 115.17 1abb h ASN 407 Ca 0.19 -0.11 -0.02 0.00 0.71 0.00 0.00 56.30 57.07 1abb h ASN 407 Cb 0.23 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 39.13 1abb h ASN 407 CO -0.26 0.55 -0.15 -0.61 -1.29 0.00 0.00 177.43 175.66 1abb h GLN 408 N 0.62 -0.41 -0.24 6.67 4.15 -0.71 0.10 115.11 125.30 1abb h GLN 408 Ca 0.16 0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.56 1abb h GLN 408 Cb 0.09 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 1abb h GLN 408 CO -0.02 -0.23 -0.10 0.00 -1.93 0.00 0.00 178.83 176.55 1abb h ARG 409 N -0.50 0.39 -0.10 1.69 3.08 -1.27 -0.67 114.38 117.00 1abb h ARG 409 Ca -0.04 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 1abb h ARG 409 Cb 0.37 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 1abb h ARG 409 CO 0.07 0.50 -0.02 0.35 -1.07 0.00 0.00 179.97 179.79 1abb h PHE 410 N 0.36 0.22 0.00 3.04 3.57 -0.87 -2.49 116.94 120.78 1abb h PHE 410 Ca 0.07 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1abb h PHE 410 Cb 0.41 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.09 1abb h PHE 410 CO 0.01 0.50 0.00 -0.07 -2.23 0.00 0.00 178.31 176.53 1abb h LEU 411 N -0.13 0.00 0.00 0.59 3.38 -0.23 0.41 115.31 119.32 1abb h LEU 411 Ca 0.03 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 1abb h LEU 411 Cb 0.43 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1abb h LEU 411 CO 0.01 0.00 -0.55 0.78 0.09 0.00 0.00 178.44 178.77 1abb h ASN 412 N 0.00 0.00 -0.27 -0.43 4.21 -0.80 -1.78 115.58 116.51 1abb h ASN 412 Ca 0.00 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.47 1abb h ASN 412 Cb 0.22 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.41 1abb h ASN 412 CO 0.00 0.54 0.01 0.03 -1.29 0.00 0.00 177.43 176.72 1abb h ARG 413 N 0.00 0.46 -0.08 0.81 3.08 0.20 0.73 114.38 119.59 1abb h ARG 413 Ca -0.01 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 59.86 1abb h ARG 413 Cb 1.42 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.42 1abb h ARG 413 CO 0.07 0.62 -0.14 0.28 -1.07 0.00 0.00 179.97 179.73 1abb h VAL 414 N 0.25 1.15 0.00 2.04 2.07 -1.32 -1.03 116.25 119.41 1abb h VAL 414 Ca 0.08 -0.66 -0.06 0.00 0.82 0.00 0.00 66.70 66.87 1abb h VAL 414 Cb 0.40 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1abb h VAL 414 CO 0.01 0.20 -0.30 0.00 0.02 0.00 0.00 177.57 177.50 1abb h ALA 415 N 1.75 1.18 0.57 1.67 0.00 -0.19 -1.18 119.26 123.05 1abb h ALA 415 Ca 0.02 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1abb h ALA 415 Cb 0.32 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.07 1abb h ALA 415 CO 0.02 0.37 -0.27 0.00 0.00 0.00 0.00 179.25 179.37 1abb h ALA 416 N 1.70 -0.76 -0.23 0.00 0.00 0.33 -3.22 119.26 117.09 1abb h ALA 416 Ca -0.00 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.54 1abb h ALA 416 Cb 0.67 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1abb h ALA 416 CO 0.04 -0.86 -0.54 0.00 0.00 0.00 0.00 179.25 177.89 1abb h ALA 417 N -0.55 0.37 -2.74 0.00 0.00 -1.08 -3.35 119.26 111.92 1abb h ALA 417 Ca -0.08 -0.51 -0.61 0.00 0.00 0.00 0.00 54.91 53.72 1abb h ALA 417 Cb 0.63 -0.05 -0.40 0.00 0.00 0.00 0.00 17.79 17.97 1abb h ALA 417 CO 0.13 0.58 -0.73 1.19 0.00 0.00 0.00 179.25 180.41 1abb n PHE 418 N -4.08 1.70 -1.41 0.00 3.72 -0.47 -5.10 117.46 111.81 1abb n PHE 418 Ca -0.06 -3.93 -0.33 0.00 -0.05 0.00 0.00 57.45 53.09 1abb n PHE 418 Cb 0.62 -0.30 0.09 0.00 -0.94 0.00 0.00 39.48 38.94 1abb n PHE 418 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 1abb s PRO 419 N -0.99 2.24 0.00 -1.08 0.02 -1.21 -2.62 135.00 131.35 1abb s PRO 419 Ca 0.29 1.50 0.00 0.00 0.02 0.00 0.00 61.00 62.80 1abb s PRO 419 Cb 0.01 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.65 1abb s PRO 419 CO -0.17 -1.71 0.00 0.41 -0.33 0.00 0.00 177.00 175.20 1abb n GLY 420 N -0.24 2.83 3.72 0.52 0.00 -1.26 -4.95 105.19 105.81 1abb n GLY 420 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1abb n GLY 420 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1abb s ASP 421 N 0.08 7.02 -0.18 1.61 -1.08 -1.08 -4.89 116.67 118.15 1abb s ASP 421 Ca 0.00 2.18 -0.08 0.00 -0.52 0.00 0.00 52.55 54.13 1abb s ASP 421 Cb 0.00 -2.59 -0.08 0.00 -1.46 0.00 0.00 42.92 38.79 1abb s ASP 421 CO 0.00 -0.48 -0.23 0.52 0.52 0.00 0.00 175.17 175.51 1abb n VAL 422 N 3.34 0.98 0.21 1.11 0.31 -1.26 -4.54 118.33 118.48 1abb n VAL 422 Ca 0.08 -0.26 0.08 0.00 -0.01 0.00 0.00 64.34 64.23 1abb n VAL 422 Cb 0.45 -1.70 0.39 0.00 -0.91 0.00 0.00 33.84 32.06 1abb n VAL 422 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1abb h ASP 423 N -0.60 0.00 -0.00 4.52 3.58 -1.99 -2.87 116.42 119.05 1abb h ASP 423 Ca -0.45 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 56.83 1abb h ASP 423 Cb 1.41 0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.47 1abb h ASP 423 CO -0.26 0.28 -0.66 0.03 -2.88 0.00 0.00 179.24 175.75 1abb h ARG 424 N 0.00 0.45 -0.78 0.28 3.08 -1.98 -0.11 114.38 115.32 1abb h ARG 424 Ca -0.00 -0.48 0.14 0.00 0.07 0.00 0.00 59.98 59.70 1abb h ARG 424 Cb 0.83 0.14 -0.14 0.00 0.08 0.00 0.00 29.97 30.88 1abb h ARG 424 CO 0.04 1.13 -0.31 -0.07 -1.07 0.00 0.00 179.97 179.69 1abb h LEU 425 N -0.03 -1.12 -0.58 3.04 -0.00 -1.75 0.45 115.31 115.32 1abb h LEU 425 Ca -0.08 0.26 -0.14 0.00 -0.00 0.00 0.00 57.88 57.91 1abb h LEU 425 Cb 1.36 0.61 -0.02 0.00 -0.00 0.00 0.00 40.66 42.61 1abb h LEU 425 CO 0.13 -0.29 -0.69 0.08 -0.00 0.00 0.00 178.44 177.67 1abb h ARG 426 N -0.07 0.00 0.00 1.13 0.11 -1.60 -1.69 114.38 112.27 1abb h ARG 426 Ca 0.32 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 60.20 1abb h ARG 426 Cb 0.58 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.65 1abb h ARG 426 CO -0.82 0.69 -0.87 0.00 0.10 0.00 0.00 179.97 179.07 1abb h ARG 427 N 0.00 0.15 0.00 0.08 3.08 0.14 -3.35 114.38 114.47 1abb h ARG 427 Ca -0.01 -0.16 -0.06 0.00 0.07 0.00 0.00 59.98 59.82 1abb h ARG 427 Cb 1.24 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.33 1abb h ARG 427 CO 0.09 0.92 -0.90 0.52 -1.07 0.00 0.00 179.97 179.53 1abb h MET 428 N 0.08 0.00 -6.58 0.04 2.86 -0.09 -3.48 114.93 107.76 1abb h MET 428 Ca -0.04 0.00 -0.59 0.00 -2.06 0.00 0.00 59.70 57.02 1abb h MET 428 Cb 1.50 0.00 0.14 0.00 0.06 0.00 0.00 31.60 33.30 1abb h MET 428 CO 0.13 0.15 0.00 0.45 1.06 0.00 0.00 176.91 178.70 1abb n SER 429 N -2.88 0.62 -0.23 1.22 2.88 -0.65 -4.97 113.62 109.60 1abb n SER 429 Ca -0.02 0.97 -0.08 0.00 -1.33 0.00 0.00 58.87 58.41 1abb n SER 429 Cb 0.66 -1.29 0.04 0.00 -0.75 0.00 0.00 64.21 62.86 1abb n SER 429 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1abb h LEU 430 N 1.21 1.03 -9.71 2.46 3.38 -1.90 -3.44 115.31 108.35 1abb h LEU 430 Ca -0.44 -0.25 -0.50 0.00 0.09 0.00 0.00 57.88 56.78 1abb h LEU 430 Cb 1.36 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 1abb h LEU 430 CO 0.55 1.02 0.36 -0.69 0.09 0.00 0.00 178.44 179.76 1abb s VAL 431 N -5.24 4.16 -0.12 1.22 1.01 -1.26 -1.45 120.40 118.73 1abb s VAL 431 Ca -0.12 2.07 0.02 0.00 0.00 0.00 0.00 61.98 63.95 1abb s VAL 431 Cb 0.14 -4.32 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 1abb s VAL 431 CO 0.84 0.45 -0.19 -0.70 0.00 0.00 0.00 175.10 175.50 1abb s GLU 432 N -0.89 3.20 0.40 2.72 2.12 0.89 -4.92 118.70 122.23 1abb s GLU 432 Ca 0.43 -0.79 -0.07 0.00 0.36 0.00 0.00 54.97 54.89 1abb s GLU 432 Cb -0.26 -2.46 -0.05 0.00 0.26 0.00 0.00 34.13 31.63 1abb s GLU 432 CO 0.32 0.18 0.73 -1.21 -0.54 0.00 0.00 175.26 174.74 1abb s GLU 433 N 0.38 3.67 0.00 4.30 0.41 -1.26 -0.93 118.70 125.27 1abb s GLU 433 Ca -0.15 0.27 0.00 0.00 -0.41 0.00 0.00 54.97 54.69 1abb s GLU 433 Cb -0.17 -2.44 0.00 0.00 -1.78 0.00 0.00 34.13 29.74 1abb s GLU 433 CO 0.07 -0.04 0.00 0.41 -0.49 0.00 0.00 175.26 175.21 1abb n GLY 434 N -1.54 -0.57 3.61 -1.39 0.00 -1.26 -4.92 105.19 99.12 1abb n GLY 434 Ca 0.01 -0.45 -0.38 0.00 0.00 0.00 0.00 46.02 45.19 1abb n GLY 434 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1abb s ALA 435 N -1.00 3.56 -0.02 4.61 0.00 -1.26 -4.61 121.76 123.03 1abb s ALA 435 Ca 0.00 -0.91 -0.00 0.00 0.00 0.00 0.00 51.96 51.05 1abb s ALA 435 Cb 0.00 -2.56 0.00 0.00 0.00 0.00 0.00 23.12 20.56 1abb s ALA 435 CO 0.00 -0.52 0.01 0.28 0.00 0.00 0.00 175.76 175.53 1abb n VAL 436 N 4.91 -3.20 -1.99 0.00 0.31 -1.26 -4.99 118.33 112.11 1abb n VAL 436 Ca -0.11 0.18 -0.42 0.00 -0.01 0.00 0.00 64.34 63.97 1abb n VAL 436 Cb 0.51 -4.05 -0.03 0.00 -0.91 0.00 0.00 33.84 29.37 1abb n VAL 436 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1abb s LYS 437 N -0.46 4.07 0.39 5.55 2.20 -1.26 -4.85 119.74 125.38 1abb s LYS 437 Ca -0.01 2.12 0.08 0.00 -0.36 0.00 0.00 55.97 57.79 1abb s LYS 437 Cb 0.00 -4.02 -0.05 0.00 -1.51 0.00 0.00 37.83 32.26 1abb s LYS 437 CO 0.06 -0.98 0.19 1.03 -0.36 0.00 0.00 175.35 175.30 1abb s ARG 438 N 4.26 2.30 -0.09 4.03 0.52 -0.10 -0.87 118.95 128.99 1abb s ARG 438 Ca 0.75 -1.72 0.04 0.00 -0.52 0.00 0.00 55.73 54.28 1abb s ARG 438 Cb -0.32 -2.08 -0.00 0.00 0.52 0.00 0.00 34.95 33.06 1abb s ARG 438 CO 0.30 -0.06 -0.24 0.42 0.02 0.00 0.00 175.30 175.74 1abb s ILE 439 N -2.54 2.05 -0.47 1.52 -1.09 -0.22 -0.08 121.20 120.38 1abb s ILE 439 Ca 0.41 -1.03 -0.18 0.00 -2.23 0.00 0.00 60.65 57.62 1abb s ILE 439 Cb 0.01 -1.77 0.04 0.00 -1.58 0.00 0.00 42.46 39.17 1abb s ILE 439 CO 0.23 0.56 0.54 0.21 -1.23 0.00 0.00 174.94 175.26 1abb s ASN 440 N 0.24 6.22 0.51 3.58 3.84 -0.53 -1.41 114.94 127.39 1abb s ASN 440 Ca -0.16 -0.80 0.26 0.00 0.21 0.00 0.00 52.86 52.37 1abb s ASN 440 Cb -0.17 -2.26 1.39 0.00 -0.55 0.00 0.00 41.25 39.65 1abb s ASN 440 CO 0.08 -0.75 2.05 0.24 -2.79 0.00 0.00 177.10 175.93 1abb h MET 441 N 8.87 0.00 -0.07 0.43 2.86 -1.64 0.25 114.93 125.63 1abb h MET 441 Ca -0.27 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.22 1abb h MET 441 Cb 1.10 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.75 1abb h MET 441 CO 0.89 0.13 -0.61 0.00 1.06 0.00 0.00 176.91 178.38 1abb h ALA 442 N 1.87 0.84 0.07 6.32 0.00 -1.94 -2.15 119.26 124.27 1abb h ALA 442 Ca -0.00 -0.55 -0.25 0.00 0.00 0.00 0.00 54.91 54.11 1abb h ALA 442 Cb 0.35 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1abb h ALA 442 CO 0.02 0.73 -1.09 0.45 0.00 0.00 0.00 179.25 179.36 1abb h HIS 443 N 0.17 0.47 -0.11 0.00 3.86 -1.34 -2.83 115.15 115.39 1abb h HIS 443 Ca -0.01 -0.31 0.03 0.00 -1.16 0.00 0.00 60.37 58.93 1abb h HIS 443 Cb 1.12 -0.03 -0.06 0.00 1.06 0.00 0.00 27.41 29.49 1abb h HIS 443 CO 0.02 1.18 -0.52 1.25 0.86 0.00 0.00 177.93 180.72 1abb h LEU 444 N 0.12 -1.64 -0.14 2.43 6.46 -1.24 -2.44 115.31 118.86 1abb h LEU 444 Ca -0.10 0.20 0.05 0.00 -0.12 0.00 0.00 57.88 57.90 1abb h LEU 444 Cb 1.78 0.64 -0.07 0.00 -0.73 0.00 0.00 40.66 42.28 1abb h LEU 444 CO 0.18 -0.48 -0.39 0.00 -0.62 0.00 0.00 178.44 177.13 1abb h ILE 446 N -0.45 0.75 -0.02 0.00 2.04 -1.38 -0.66 117.51 117.79 1abb h ILE 446 Ca 0.09 -0.26 -0.15 0.00 1.00 0.00 0.00 64.86 65.54 1abb h ILE 446 Cb 0.60 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 1abb h ILE 446 CO -0.39 0.14 -0.66 0.00 0.00 0.00 0.00 178.15 177.24 1abb h ALA 447 N 1.59 0.85 -0.34 1.87 0.00 -0.66 -3.18 119.26 119.40 1abb h ALA 447 Ca 0.52 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1abb h ALA 447 Cb 0.73 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1abb h ALA 447 CO -0.36 0.79 0.00 0.41 0.00 0.00 0.00 179.25 180.10 1abb n GLY 448 N 0.37 3.12 3.43 0.00 0.00 -0.87 -4.98 105.19 106.26 1abb n GLY 448 Ca -0.02 -0.59 -0.28 0.00 0.00 0.00 0.00 46.02 45.13 1abb n GLY 448 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1abb s SER 449 N -1.26 3.51 -0.03 1.61 0.01 -0.31 -3.44 113.70 113.79 1abb s SER 449 Ca 0.30 -0.77 0.21 0.00 1.31 0.00 0.00 55.95 57.00 1abb s SER 449 Cb 0.19 -0.31 0.66 0.00 0.21 0.00 0.00 66.02 66.77 1abb s SER 449 CO 0.14 0.15 1.56 0.00 0.41 0.00 0.00 173.24 175.50 1abb n HIS 450 N 0.55 1.11 -3.50 2.43 1.44 -0.63 -4.87 115.22 111.75 1abb n HIS 450 Ca -0.15 -0.51 0.01 0.00 -2.01 0.00 0.00 57.72 55.06 1abb n HIS 450 Cb 0.54 -0.07 -0.05 0.00 0.12 0.00 0.00 29.99 30.53 1abb n HIS 450 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1abb s ALA 451 N -1.26 -2.65 -0.03 1.59 0.00 -1.26 -4.84 121.76 113.30 1abb s ALA 451 Ca 0.49 2.05 0.05 0.00 0.00 0.00 0.00 51.96 54.55 1abb s ALA 451 Cb 0.27 -1.96 -0.02 0.00 0.00 0.00 0.00 23.12 21.40 1abb s ALA 451 CO 0.30 -0.62 -0.18 0.08 0.00 0.00 0.00 175.76 175.34 1abb s VAL 452 N 1.73 2.74 0.04 0.00 1.01 -0.27 -1.62 120.40 124.02 1abb s VAL 452 Ca -0.05 -0.89 -0.05 0.00 0.00 0.00 0.00 61.98 60.99 1abb s VAL 452 Cb -0.04 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 1abb s VAL 452 CO -0.15 0.56 0.07 0.54 0.00 0.00 0.00 175.10 176.12 1abb s ASN 453 N -0.78 0.21 0.18 3.32 4.22 -0.96 -0.59 114.94 120.55 1abb s ASN 453 Ca 0.11 -0.58 0.02 0.00 -2.14 0.00 0.00 52.86 50.27 1abb s ASN 453 Cb -0.10 0.21 0.02 0.00 1.28 0.00 0.00 41.25 42.65 1abb s ASN 453 CO 0.01 -0.50 0.13 0.61 -2.04 0.00 0.00 177.10 175.31 1abb n GLY 454 N 0.78 2.99 0.04 0.45 0.00 -1.22 -1.12 105.19 107.11 1abb n GLY 454 Ca -0.19 -2.21 0.01 0.00 0.00 0.00 0.00 46.02 43.62 1abb n GLY 454 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1abb n VAL 455 N -0.91 0.54 -3.63 1.61 0.31 -1.26 -1.36 118.33 113.63 1abb n VAL 455 Ca -0.01 -0.56 -0.03 0.00 -0.01 0.00 0.00 64.34 63.72 1abb n VAL 455 Cb 0.21 0.67 -0.04 0.00 -0.91 0.00 0.00 33.84 33.77 1abb n VAL 455 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1abb s ALA 456 N -0.61 -2.09 0.17 3.52 0.00 -1.26 -2.62 121.76 118.87 1abb s ALA 456 Ca 0.02 1.83 -0.14 0.00 0.00 0.00 0.00 51.96 53.67 1abb s ALA 456 Cb 0.02 -1.26 0.10 0.00 0.00 0.00 0.00 23.12 21.98 1abb s ALA 456 CO 0.00 -0.29 1.78 0.00 0.00 0.00 0.00 175.76 177.25 1abb h ARG 457 N 2.12 0.42 -0.28 0.00 3.08 -1.92 -1.56 114.38 116.24 1abb h ARG 457 Ca -0.09 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 1abb h ARG 457 Cb 1.18 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 1abb h ARG 457 CO 0.23 0.28 0.10 -0.84 -1.07 0.00 0.00 179.97 178.66 1abb h ILE 458 N 0.43 1.19 -0.62 2.04 3.07 -1.92 -1.99 117.51 119.71 1abb h ILE 458 Ca 0.20 -0.62 0.01 0.00 1.55 0.00 0.00 64.86 66.00 1abb h ILE 458 Cb 0.12 1.07 -0.03 0.00 -0.27 0.00 0.00 36.82 37.70 1abb h ILE 458 CO -0.15 0.21 0.41 -0.74 -1.05 0.00 0.00 178.15 176.82 1abb h HIS 459 N 0.30 0.77 0.00 0.16 2.76 -1.66 0.01 115.15 117.49 1abb h HIS 459 Ca 0.09 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.22 1abb h HIS 459 Cb 0.23 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 28.92 1abb h HIS 459 CO 0.00 0.47 -0.29 0.77 -1.30 0.00 0.00 177.93 177.59 1abb h SER 460 N 0.82 0.00 -0.06 3.26 0.02 -0.90 -2.40 113.55 114.29 1abb h SER 460 Ca 0.23 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.09 1abb h SER 460 Cb -0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.47 1abb h SER 460 CO -0.06 0.29 -0.32 -0.33 -1.14 0.00 0.00 176.83 175.27 1abb h GLU 461 N 0.00 0.33 0.00 3.45 4.39 -0.55 -1.99 114.58 120.21 1abb h GLU 461 Ca -0.00 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.43 1abb h GLU 461 Cb 0.79 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 1abb h GLU 461 CO 0.04 0.92 0.00 0.44 -1.16 0.00 0.00 179.01 179.24 1abb n ILE 462 N -4.43 0.69 -0.04 3.13 -5.35 -0.11 0.31 119.36 113.57 1abb n ILE 462 Ca -0.08 0.02 -0.13 0.00 -0.27 0.00 0.00 62.75 62.28 1abb n ILE 462 Cb 0.50 -0.88 -0.11 0.00 -1.74 0.00 0.00 39.64 37.41 1abb n ILE 462 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 1abb h LEU 463 N 0.00 -0.00 -1.16 7.28 3.38 -1.45 -2.17 115.31 121.18 1abb h LEU 463 Ca 0.00 -0.73 0.00 0.00 0.09 0.00 0.00 57.88 57.24 1abb h LEU 463 Cb 0.50 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1abb h LEU 463 CO 0.00 0.73 0.51 0.11 0.09 0.00 0.00 178.44 179.88 1abb h LYS 464 N -0.73 1.07 0.12 1.13 1.57 -0.32 -1.08 116.57 118.33 1abb h LYS 464 Ca -0.00 -0.08 -0.30 0.00 -1.87 0.00 0.00 60.65 58.40 1abb h LYS 464 Cb 0.73 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1abb h LYS 464 CO 0.00 0.73 -1.53 0.87 -0.57 0.00 0.00 179.45 178.95 1abb h LYS 465 N 1.10 0.25 0.00 3.15 1.57 -0.24 -3.35 116.57 119.04 1abb h LYS 465 Ca 0.29 -0.43 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1abb h LYS 465 Cb -0.08 0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1abb h LYS 465 CO -0.06 1.20 -0.07 0.25 -0.57 0.00 0.00 179.45 180.21 1abb n THR 466 N -3.85 0.22 -0.09 -0.16 -2.24 -0.83 -4.62 114.28 102.70 1abb n THR 466 Ca -0.26 0.23 -0.06 0.00 -2.27 0.00 0.00 64.05 61.69 1abb n THR 466 Cb 0.93 -1.33 0.01 0.00 -2.10 0.00 0.00 70.33 67.84 1abb n THR 466 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1abb h ILE 467 N -0.07 0.74 -0.16 2.28 5.03 -1.60 -3.08 117.51 120.66 1abb h ILE 467 Ca 0.00 -0.03 -0.03 0.00 -0.12 0.00 0.00 64.86 64.68 1abb h ILE 467 Cb 0.07 0.65 -0.02 0.00 -3.03 0.00 0.00 36.82 34.49 1abb h ILE 467 CO 0.00 0.02 -0.05 0.49 -0.68 0.00 0.00 178.15 177.92 1abb n PHE 468 N -5.18 0.56 -0.26 1.37 3.72 -0.41 -4.84 117.46 112.42 1abb n PHE 468 Ca 0.01 -1.09 -0.05 0.00 -0.05 0.00 0.00 57.45 56.27 1abb n PHE 468 Cb 0.18 -0.28 0.06 0.00 -0.94 0.00 0.00 39.48 38.49 1abb n PHE 468 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1abb h LYS 469 N 0.97 1.00 0.00 -1.08 2.10 -1.64 0.27 116.57 118.19 1abb h LYS 469 Ca 0.04 -0.10 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 1abb h LYS 469 Cb 1.29 -0.20 0.00 0.00 -0.90 0.00 0.00 32.23 32.41 1abb h LYS 469 CO 0.15 0.72 0.00 -0.25 -2.00 0.00 0.00 179.45 178.07 1abb n ASP 470 N -4.51 0.25 -0.02 7.07 8.00 -1.26 0.11 116.55 126.19 1abb n ASP 470 Ca 0.06 0.60 -0.17 0.00 0.71 0.00 0.00 54.79 56.00 1abb n ASP 470 Cb 0.07 -0.64 -0.14 0.00 -0.02 0.00 0.00 41.12 40.39 1abb n ASP 470 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1abb n PHE 471 N -1.82 0.97 0.02 1.24 3.72 0.84 -3.80 117.46 118.63 1abb n PHE 471 Ca 0.00 0.24 0.14 0.00 -0.05 0.00 0.00 57.45 57.78 1abb n PHE 471 Cb 0.05 -1.14 0.60 0.00 -0.94 0.00 0.00 39.48 38.05 1abb n PHE 471 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 1abb h TYR 472 N 0.04 0.18 0.00 1.38 3.20 0.21 -0.78 116.97 121.20 1abb h TYR 472 Ca -0.42 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.37 1abb h TYR 472 Cb 2.03 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 40.23 1abb h TYR 472 CO 0.05 0.09 -0.40 0.93 -1.64 0.00 0.00 178.16 177.19 1abb h GLU 473 N 0.17 0.00 0.15 1.82 5.08 -1.32 -0.03 114.58 120.44 1abb h GLU 473 Ca 0.21 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.22 1abb h GLU 473 Cb 0.60 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1abb h GLU 473 CO -0.03 0.40 -1.84 1.25 -1.00 0.00 0.00 179.01 177.79 1abb h LEU 474 N 0.00 0.49 -6.00 1.33 7.12 -1.43 -3.42 115.31 113.39 1abb h LEU 474 Ca -0.00 -0.87 -0.55 0.00 0.13 0.00 0.00 57.88 56.58 1abb h LEU 474 Cb 1.12 -0.16 -0.38 0.00 -0.53 0.00 0.00 40.66 40.71 1abb h LEU 474 CO 0.05 1.76 -1.08 -0.62 -0.13 0.00 0.00 178.44 178.42 1abb n GLU 475 N -3.51 0.66 0.28 1.25 1.02 -0.38 -4.94 120.64 115.01 1abb n GLU 475 Ca -0.27 -3.17 0.18 0.00 -0.02 0.00 0.00 57.16 53.88 1abb n GLU 475 Cb 1.06 -1.26 0.94 0.00 -0.02 0.00 0.00 31.44 32.16 1abb n GLU 475 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1abb h PRO 476 N 4.15 0.00 -0.06 3.49 0.13 -1.18 -2.00 132.00 136.53 1abb h PRO 476 Ca 0.08 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.22 1abb h PRO 476 Cb 0.89 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.02 1abb h PRO 476 CO 0.45 0.00 0.04 1.12 -0.23 0.00 0.00 178.00 179.38 1abb h HIS 477 N 0.00 0.02 -0.49 1.56 2.07 -1.92 -3.25 115.15 113.14 1abb h HIS 477 Ca 0.03 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.44 1abb h HIS 477 Cb 0.23 -0.01 -0.02 0.00 2.57 0.00 0.00 27.41 30.19 1abb h HIS 477 CO 0.00 0.01 -0.14 -0.22 -3.07 0.00 0.00 177.93 174.52 1abb h LYS 478 N 0.02 0.93 -6.48 5.12 3.64 -1.68 -3.43 116.57 114.69 1abb h LYS 478 Ca 0.03 -0.34 -0.55 0.00 -1.27 0.00 0.00 60.65 58.51 1abb h LYS 478 Cb 0.08 -0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 31.77 1abb h LYS 478 CO -0.00 1.00 1.03 -0.06 -2.27 0.00 0.00 179.45 179.15 1abb s PHE 479 N -4.78 2.45 0.18 1.91 0.40 -1.23 -1.11 117.98 115.79 1abb s PHE 479 Ca -0.11 0.28 0.03 0.00 -0.60 0.00 0.00 56.93 56.53 1abb s PHE 479 Cb 0.13 -4.53 0.03 0.00 0.51 0.00 0.00 43.02 39.16 1abb s PHE 479 CO 0.85 -1.80 0.22 1.04 0.70 0.00 0.00 175.22 176.22 1abb n GLN 480 N 8.78 0.97 -3.74 0.44 6.02 0.25 -4.97 117.38 125.12 1abb n GLN 480 Ca 0.07 -0.99 -0.13 0.00 -0.01 0.00 0.00 57.00 55.94 1abb n GLN 480 Cb 0.49 -0.03 -0.09 0.00 1.02 0.00 0.00 30.24 31.63 1abb n GLN 480 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1abb s ASN 481 N -2.08 -0.30 -0.31 1.08 3.84 -1.26 -3.42 114.94 112.49 1abb s ASN 481 Ca 0.16 0.43 -0.01 0.00 0.21 0.00 0.00 52.86 53.66 1abb s ASN 481 Cb -0.01 0.54 0.13 0.00 -0.55 0.00 0.00 41.25 41.35 1abb s ASN 481 CO 0.10 -0.30 0.26 -0.54 -2.79 0.00 0.00 177.10 173.83 1abb s LYS 482 N -0.58 0.36 0.22 0.43 -0.14 -0.46 -4.90 119.74 114.66 1abb s LYS 482 Ca -0.07 -0.45 -0.31 0.00 -1.36 0.00 0.00 55.97 53.77 1abb s LYS 482 Cb -0.04 -0.85 -0.12 0.00 -1.68 0.00 0.00 37.83 35.15 1abb s LYS 482 CO 0.03 -1.07 1.68 0.99 -0.76 0.00 0.00 175.35 176.21 1abb s THR 483 N 2.04 2.11 1.13 2.17 2.01 -1.26 -4.28 115.64 119.56 1abb s THR 483 Ca 0.11 0.08 -0.17 0.00 0.31 0.00 0.00 61.69 62.03 1abb s THR 483 Cb -0.15 -3.05 0.20 0.00 0.01 0.00 0.00 72.50 69.50 1abb s THR 483 CO -0.26 0.01 0.36 0.59 -0.69 0.00 0.00 174.62 174.63 1abb n ASN 484 N 3.59 -3.02 -3.56 3.53 3.02 -1.08 -4.55 115.26 113.20 1abb n ASN 484 Ca 0.14 -0.40 -0.09 0.00 -0.03 0.00 0.00 54.58 54.19 1abb n ASN 484 Cb 0.36 -0.87 -0.02 0.00 -0.61 0.00 0.00 39.78 38.64 1abb n ASN 484 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1abb s GLY 485 N -2.15 -0.44 0.17 7.41 0.00 -1.26 -4.77 107.32 106.28 1abb s GLY 485 Ca 0.48 0.44 0.11 0.00 0.00 0.00 0.00 44.72 45.75 1abb s GLY 485 CO 0.47 0.14 -0.22 -1.50 0.00 0.00 0.00 173.10 172.00 1abb s ILE 486 N -3.55 2.53 -0.10 0.90 1.10 -0.66 -4.54 121.20 116.88 1abb s ILE 486 Ca 0.05 -1.86 -0.03 0.00 -0.51 0.00 0.00 60.65 58.30 1abb s ILE 486 Cb -0.02 -2.20 -0.03 0.00 0.15 0.00 0.00 42.46 40.36 1abb s ILE 486 CO -0.07 -0.05 0.02 0.28 -2.11 0.00 0.00 174.94 173.01 1abb s THR 487 N -1.51 4.43 0.38 4.00 -1.32 -1.26 0.34 115.64 120.71 1abb s THR 487 Ca 0.20 -0.20 0.39 0.00 -1.21 0.00 0.00 61.69 60.87 1abb s THR 487 Cb -0.09 -2.88 0.41 0.00 -1.51 0.00 0.00 72.50 68.43 1abb s THR 487 CO 0.10 0.59 2.18 1.55 -2.21 0.00 0.00 174.62 176.83 1abb h PRO 488 N 5.34 0.00 0.00 7.08 0.13 -1.91 -1.77 132.00 140.87 1abb h PRO 488 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1abb h PRO 488 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1abb h PRO 488 CO 0.56 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.87 1abb n ARG 489 N -3.01 0.00 -0.13 0.86 3.00 -1.26 -1.66 116.66 114.46 1abb n ARG 489 Ca -0.01 0.22 -0.08 0.00 -0.01 0.00 0.00 57.85 57.97 1abb n ARG 489 Cb 0.15 -1.06 0.08 0.00 0.00 0.00 0.00 32.46 31.64 1abb n ARG 489 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 1abb h ARG 490 N 0.00 0.87 -0.74 5.56 2.43 -1.97 0.00 114.38 120.54 1abb h ARG 490 Ca 0.00 -0.31 -0.02 0.00 -0.81 0.00 0.00 59.98 58.85 1abb h ARG 490 Cb 0.00 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1abb h ARG 490 CO 0.00 0.94 0.02 0.91 -1.51 0.00 0.00 179.97 180.34 1abb n TRP 491 N -4.15 1.42 0.09 2.20 5.03 -0.67 -2.85 117.44 118.52 1abb n TRP 491 Ca 0.01 -0.53 0.00 0.00 3.03 0.00 0.00 57.50 60.02 1abb n TRP 491 Cb 0.38 -0.39 0.00 0.00 -1.03 0.00 0.00 31.31 30.27 1abb n TRP 491 CO 0.00 0.00 0.00 -0.11 -0.03 0.00 0.00 177.69 177.55 1abb n LEU 492 N 0.36 -1.35 -0.01 -0.99 0.00 -1.16 -4.86 117.00 108.98 1abb n LEU 492 Ca 0.20 0.35 -0.09 0.00 0.00 0.00 0.00 56.01 56.46 1abb n LEU 492 Cb 0.90 1.48 -0.03 0.00 0.00 0.00 0.00 43.42 45.78 1abb n LEU 492 CO 0.23 -0.29 0.78 0.58 0.00 0.00 0.00 177.39 178.69 1abb h VAL 493 N 0.00 0.64 0.24 1.96 2.07 -0.88 -0.51 116.25 119.77 1abb h VAL 493 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1abb h VAL 493 Cb 0.00 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1abb h VAL 493 CO 0.00 0.00 -0.11 0.25 0.02 0.00 0.00 177.57 177.73 1abb h LEU 494 N -0.14 -0.27 -1.20 2.57 6.46 -1.13 -3.18 115.31 118.41 1abb h LEU 494 Ca 0.09 0.01 -0.07 0.00 -0.12 0.00 0.00 57.88 57.80 1abb h LEU 494 Cb 0.28 0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.27 1abb h LEU 494 CO -0.23 0.18 -0.19 0.00 -0.62 0.00 0.00 178.44 177.58 1abb s ASN 496 N -6.84 3.21 0.03 0.00 3.84 -0.20 -4.86 114.94 110.11 1abb s ASN 496 Ca -0.06 -2.76 -0.28 0.00 0.21 0.00 0.00 52.86 49.97 1abb s ASN 496 Cb 0.15 -0.86 -0.17 0.00 -0.55 0.00 0.00 41.25 39.82 1abb s ASN 496 CO 0.75 -0.24 1.31 1.55 -2.79 0.00 0.00 177.10 177.69 1abb h PRO 497 N 6.42 -0.70 -0.66 0.43 0.13 -1.67 -1.67 132.00 134.30 1abb h PRO 497 Ca 0.08 0.05 0.12 0.00 -0.87 0.00 0.00 66.00 65.37 1abb h PRO 497 Cb 0.91 0.16 -0.12 0.00 0.13 0.00 0.00 31.00 32.08 1abb h PRO 497 CO 0.44 -0.39 -0.30 0.78 -0.23 0.00 0.00 178.00 178.30 1abb h GLY 498 N -0.95 0.05 1.82 1.56 0.00 -1.92 0.35 103.07 103.98 1abb h GLY 498 Ca -0.07 0.40 -0.12 0.00 0.00 0.00 0.00 47.33 47.54 1abb h GLY 498 CO 0.12 -0.22 -0.48 -2.00 0.00 0.00 0.00 176.54 173.96 1abb h LEU 499 N -0.11 0.21 0.14 3.11 5.85 -1.90 -3.10 115.31 119.51 1abb h LEU 499 Ca 0.27 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.91 1abb h LEU 499 Cb 0.55 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 1abb h LEU 499 CO -0.72 0.66 -0.40 0.00 -0.34 0.00 0.00 178.44 177.64 1abb h ALA 500 N 1.35 -0.72 -0.30 1.25 0.00 0.59 -1.78 119.26 119.65 1abb h ALA 500 Ca 0.01 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.91 1abb h ALA 500 Cb 0.90 0.66 -0.08 0.00 0.00 0.00 0.00 17.79 19.28 1abb h ALA 500 CO 0.07 -0.97 -0.24 1.49 0.00 0.00 0.00 179.25 179.61 1abb h GLU 501 N -0.65 -0.21 0.00 0.00 4.81 -1.03 -1.16 114.58 116.35 1abb h GLU 501 Ca 0.02 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.16 1abb h GLU 501 Cb 0.67 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 1abb h GLU 501 CO -0.22 -0.14 -0.49 -0.84 -0.73 0.00 0.00 179.01 176.59 1abb h ILE 502 N -0.22 0.94 -0.09 2.32 3.07 -1.44 0.55 117.51 122.65 1abb h ILE 502 Ca 0.16 -2.00 -0.09 0.00 1.55 0.00 0.00 64.86 64.47 1abb h ILE 502 Cb 0.46 2.23 -0.01 0.00 -0.27 0.00 0.00 36.82 39.23 1abb h ILE 502 CO -0.43 0.48 -0.35 0.40 -1.05 0.00 0.00 178.15 177.20 1abb h ILE 503 N 0.00 1.28 0.01 0.16 2.04 -0.97 -3.28 117.51 116.75 1abb h ILE 503 Ca -0.00 -1.34 -0.25 0.00 1.00 0.00 0.00 64.86 64.27 1abb h ILE 503 Cb 1.20 1.61 0.02 0.00 -0.74 0.00 0.00 36.82 38.90 1abb h ILE 503 CO 0.06 0.40 -0.97 0.00 0.00 0.00 0.00 178.15 177.64 1abb h ALA 504 N 1.49 0.10 -0.80 1.87 0.00 0.31 -1.85 119.26 120.39 1abb h ALA 504 Ca 0.02 -0.68 0.19 0.00 0.00 0.00 0.00 54.91 54.44 1abb h ALA 504 Cb 0.70 0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.42 1abb h ALA 504 CO 0.05 0.61 0.15 0.93 0.00 0.00 0.00 179.25 181.00 1abb h GLU 505 N 0.27 0.20 0.19 0.00 5.08 -1.23 0.14 114.58 119.23 1abb h GLU 505 Ca -0.13 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1abb h GLU 505 Cb 1.64 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.85 1abb h GLU 505 CO 0.19 0.13 -0.09 0.00 -1.00 0.00 0.00 179.01 178.24 1abb h ARG 506 N 0.20 -0.24 -0.01 2.33 2.47 -1.61 -3.41 114.38 114.11 1abb h ARG 506 Ca 0.47 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 59.20 1abb h ARG 506 Cb 0.86 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.24 1abb h ARG 506 CO -0.61 0.01 -0.22 0.44 0.56 0.00 0.00 179.97 180.15 1abb n ILE 507 N -4.93 0.00 0.00 2.04 -5.35 -0.70 -5.12 119.36 105.29 1abb n ILE 507 Ca -0.05 -0.39 0.00 0.00 -0.27 0.00 0.00 62.75 62.04 1abb n ILE 507 Cb 0.18 1.15 0.00 0.00 -1.74 0.00 0.00 39.64 39.23 1abb n ILE 507 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1abb n GLY 508 N 0.93 0.48 0.09 3.28 0.00 0.49 -4.84 105.19 105.62 1abb n GLY 508 Ca 0.05 -2.10 -0.11 0.00 0.00 0.00 0.00 46.02 43.85 1abb n GLY 508 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1abb h GLU 509 N 0.00 0.09 -1.51 1.61 4.81 -1.93 -3.40 114.58 114.25 1abb h GLU 509 Ca 0.00 -0.16 0.47 0.00 -0.13 0.00 0.00 59.36 59.54 1abb h GLU 509 Cb 0.00 0.06 -0.11 0.00 0.63 0.00 0.00 28.75 29.33 1abb h GLU 509 CO 0.00 0.91 1.02 1.49 -0.73 0.00 0.00 179.01 181.70 1abb h GLU 510 N 0.03 0.04 -0.98 1.92 4.81 -1.93 -0.91 114.58 117.56 1abb h GLU 510 Ca -0.17 -0.00 0.31 0.00 -0.13 0.00 0.00 59.36 59.36 1abb h GLU 510 Cb 1.93 -0.01 -0.15 0.00 0.63 0.00 0.00 28.75 31.15 1abb h GLU 510 CO 0.13 0.03 0.50 0.10 -0.73 0.00 0.00 179.01 179.03 1abb h TYR 511 N 0.05 0.81 -0.03 0.92 -0.00 -1.76 0.31 116.97 117.26 1abb h TYR 511 Ca 0.85 0.04 0.01 0.00 0.00 0.00 0.00 58.73 59.63 1abb h TYR 511 Cb 2.94 -0.19 -0.00 0.00 0.00 0.00 0.00 36.73 39.47 1abb h TYR 511 CO -0.00 -0.19 0.05 0.82 -0.00 0.00 0.00 178.16 178.84 1abb h ILE 512 N 0.30 0.38 -0.01 -0.90 2.04 -1.49 -0.68 117.51 117.14 1abb h ILE 512 Ca 0.70 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.56 1abb h ILE 512 Cb 1.56 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 38.60 1abb h ILE 512 CO -0.62 0.00 0.00 -0.24 0.00 0.00 0.00 178.15 177.29 1abb n SER 513 N -3.64 2.05 -3.24 1.72 2.88 -0.05 -4.59 113.62 108.76 1abb n SER 513 Ca -0.02 -2.03 -0.07 0.00 -1.33 0.00 0.00 58.87 55.41 1abb n SER 513 Cb 0.13 -0.02 -0.04 0.00 -0.75 0.00 0.00 64.21 63.54 1abb n SER 513 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1abb s ASP 514 N -1.06 -0.42 0.08 -3.46 -1.08 -0.31 -5.07 116.67 105.36 1abb s ASP 514 Ca 0.02 -1.25 0.24 0.00 -0.52 0.00 0.00 52.55 51.04 1abb s ASP 514 Cb 0.01 1.36 0.30 0.00 -1.46 0.00 0.00 42.92 43.13 1abb s ASP 514 CO 0.01 -0.19 1.27 -0.11 0.52 0.00 0.00 175.17 176.66 1abb n LEU 515 N 4.17 0.64 0.19 -1.34 7.94 -0.91 -3.59 117.00 124.11 1abb n LEU 515 Ca 0.12 0.13 0.04 0.00 -1.11 0.00 0.00 56.01 55.20 1abb n LEU 515 Cb 0.52 -0.17 0.38 0.00 0.53 0.00 0.00 43.42 44.67 1abb n LEU 515 CO 0.04 -0.00 0.72 -0.78 -1.11 0.00 0.00 177.39 176.25 1abb h ASP 516 N 0.00 0.00 0.00 1.96 1.82 -1.87 0.44 116.42 118.77 1abb h ASP 516 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1abb h ASP 516 Cb 0.70 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.71 1abb h ASP 516 CO 0.00 0.37 0.00 1.67 -1.61 0.00 0.00 179.24 179.67 1abb n GLN 517 N -3.88 0.00 0.31 0.28 7.27 -1.26 -0.33 117.38 119.77 1abb n GLN 517 Ca -0.01 0.00 0.21 0.00 0.07 0.00 0.00 57.00 57.26 1abb n GLN 517 Cb 0.43 -1.50 1.04 0.00 2.41 0.00 0.00 30.24 32.63 1abb n GLN 517 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 1abb h LEU 518 N 0.00 0.00 -1.99 1.69 3.38 -1.15 -2.45 115.31 114.80 1abb h LEU 518 Ca 0.00 0.00 0.27 0.00 0.09 0.00 0.00 57.88 58.24 1abb h LEU 518 Cb 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1abb h LEU 518 CO 0.00 0.00 0.68 0.03 0.09 0.00 0.00 178.44 179.24 1abb h ARG 519 N 0.00 0.00 -0.60 1.13 3.08 0.11 -1.23 114.38 116.87 1abb h ARG 519 Ca 0.00 0.00 0.15 0.00 0.07 0.00 0.00 59.98 60.20 1abb h ARG 519 Cb 0.12 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 1abb h ARG 519 CO 0.00 0.00 0.42 0.87 -1.07 0.00 0.00 179.97 180.19 1abb h LYS 520 N 0.00 0.11 -0.64 0.04 1.57 -1.69 0.77 116.57 116.73 1abb h LYS 520 Ca 0.43 -0.01 0.17 0.00 -1.87 0.00 0.00 60.65 59.37 1abb h LYS 520 Cb 1.78 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 34.03 1abb h LYS 520 CO -0.00 0.07 0.45 -0.07 -0.57 0.00 0.00 179.45 179.33 1abb h LEU 521 N 0.11 0.11 -2.24 2.94 4.07 -1.44 -2.47 115.31 116.39 1abb h LEU 521 Ca 0.29 0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.25 1abb h LEU 521 Cb 0.98 -0.01 -0.00 0.00 1.08 0.00 0.00 40.66 42.71 1abb h LEU 521 CO -0.03 0.05 -0.01 0.25 -1.08 0.00 0.00 178.44 177.62 1abb h LEU 522 N 0.11 0.00 -1.22 1.67 5.85 -1.03 0.36 115.31 121.06 1abb h LEU 522 Ca 0.31 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.03 1abb h LEU 522 Cb 1.06 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.09 1abb h LEU 522 CO -0.04 0.01 0.00 0.28 -0.34 0.00 0.00 178.44 178.35 1abb h SER 523 N 0.00 0.00 -0.52 1.25 0.02 -1.63 -3.19 113.55 109.48 1abb h SER 523 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1abb h SER 523 Cb 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1abb h SER 523 CO 0.00 0.00 0.00 -1.22 -1.14 0.00 0.00 176.83 174.47 1abb n TYR 524 N -2.64 0.68 -0.31 3.45 4.02 0.13 -4.61 117.16 117.89 1abb n TYR 524 Ca 0.01 -0.38 0.16 0.00 -0.01 0.00 0.00 57.90 57.68 1abb n TYR 524 Cb 0.23 -0.00 0.34 0.00 -0.02 0.00 0.00 39.34 39.89 1abb n TYR 524 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1abb h VAL 525 N 3.99 0.28 -0.01 -0.72 2.07 -1.64 0.13 116.25 120.34 1abb h VAL 525 Ca 0.00 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1abb h VAL 525 Cb 0.94 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1abb h VAL 525 CO 0.00 0.04 -0.50 0.47 0.02 0.00 0.00 177.57 177.60 1abb n ASP 526 N -5.21 1.84 -4.72 0.57 9.92 -1.26 -4.88 116.55 112.81 1abb n ASP 526 Ca 0.24 -1.42 -0.42 0.00 -0.53 0.00 0.00 54.79 52.66 1abb n ASP 526 Cb 0.77 0.53 -0.03 0.00 -0.64 0.00 0.00 41.12 41.75 1abb n ASP 526 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1abb s ASP 527 N -2.41 7.11 0.34 -2.24 2.15 0.45 -4.89 116.67 117.18 1abb s ASP 527 Ca 0.16 2.03 0.19 0.00 0.43 0.00 0.00 52.55 55.36 1abb s ASP 527 Cb 0.17 -2.58 0.17 0.00 -0.30 0.00 0.00 42.92 40.37 1abb s ASP 527 CO 0.57 -0.43 1.48 -0.33 -0.17 0.00 0.00 175.17 176.29 1abb h GLU 528 N 6.49 0.00 0.47 4.34 4.39 -1.91 -1.69 114.58 126.68 1abb h GLU 528 Ca -0.42 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.26 1abb h GLU 528 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1abb h GLU 528 CO 0.79 0.28 -0.23 0.00 -1.16 0.00 0.00 179.01 178.69 1abb h ALA 529 N 1.72 -0.63 -0.33 3.43 0.00 -1.93 -1.46 119.26 120.05 1abb h ALA 529 Ca -0.01 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.81 1abb h ALA 529 Cb 1.22 0.25 -0.08 0.00 0.00 0.00 0.00 17.79 19.17 1abb h ALA 529 CO 0.04 -0.61 -0.42 0.35 0.00 0.00 0.00 179.25 178.60 1abb h PHE 530 N -1.13 -1.23 -0.78 0.00 3.57 -1.87 -0.82 116.94 114.69 1abb h PHE 530 Ca -0.06 0.06 0.18 0.00 3.53 0.00 0.00 57.97 61.68 1abb h PHE 530 Cb 0.53 0.58 -0.13 0.00 2.79 0.00 0.00 35.95 39.72 1abb h PHE 530 CO 0.01 -0.45 0.10 0.82 -2.23 0.00 0.00 178.31 176.56 1abb h ILE 531 N -0.37 0.38 0.37 1.41 2.04 -1.32 0.35 117.51 120.38 1abb h ILE 531 Ca 0.12 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.91 1abb h ILE 531 Cb 0.59 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1abb h ILE 531 CO -0.53 0.03 -0.18 0.08 0.00 0.00 0.00 178.15 177.56 1abb h ARG 532 N 0.17 -0.48 0.08 2.37 0.11 -0.49 -1.66 114.38 114.47 1abb h ARG 532 Ca 0.44 0.03 0.02 0.00 0.10 0.00 0.00 59.98 60.58 1abb h ARG 532 Cb 0.81 0.11 -0.04 0.00 1.11 0.00 0.00 29.97 31.95 1abb h ARG 532 CO -0.62 -0.17 -0.34 -0.44 0.10 0.00 0.00 179.97 178.49 1abb h ASP 533 N -0.83 -1.00 -0.90 0.08 3.32 0.38 0.18 116.42 117.64 1abb h ASP 533 Ca -0.05 0.12 0.25 0.00 0.02 0.00 0.00 57.03 57.37 1abb h ASP 533 Cb 0.53 0.39 -0.14 0.00 0.22 0.00 0.00 39.33 40.33 1abb h ASP 533 CO 0.08 -0.42 0.31 0.58 -1.72 0.00 0.00 179.24 178.08 1abb h VAL 534 N -0.54 0.33 0.00 -1.35 2.07 -0.40 0.31 116.25 116.67 1abb h VAL 534 Ca 0.04 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1abb h VAL 534 Cb 0.59 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1abb h VAL 534 CO -0.23 0.05 0.00 0.00 0.02 0.00 0.00 177.57 177.41 1abb h ALA 535 N 1.79 1.00 -0.00 1.67 0.00 0.28 -3.20 119.26 120.80 1abb h ALA 535 Ca 0.58 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.49 1abb h ALA 535 Cb 1.20 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1abb h ALA 535 CO -0.63 0.00 -0.00 -0.22 0.00 0.00 0.00 179.25 178.39 1abb h LYS 536 N 0.00 0.00 -0.53 0.00 1.63 0.12 -2.47 116.57 115.32 1abb h LYS 536 Ca 0.00 -0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.81 1abb h LYS 536 Cb 0.77 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.37 1abb h LYS 536 CO 0.00 0.54 0.34 0.28 -3.45 0.00 0.00 179.45 177.16 1abb h VAL 537 N -0.54 1.10 -0.96 2.00 2.07 -1.43 0.23 116.25 118.73 1abb h VAL 537 Ca 0.00 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.31 1abb h VAL 537 Cb 0.54 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 1abb h VAL 537 CO 0.00 0.13 0.63 0.50 0.02 0.00 0.00 177.57 178.85 1abb h LYS 538 N 0.69 1.22 -0.14 1.57 1.63 -1.64 0.10 116.57 120.01 1abb h LYS 538 Ca 0.20 -0.07 -0.05 0.00 -0.85 0.00 0.00 60.65 59.88 1abb h LYS 538 Cb -0.04 -0.28 -0.01 0.00 -0.60 0.00 0.00 32.23 31.30 1abb h LYS 538 CO -0.06 0.81 -0.15 0.37 -3.45 0.00 0.00 179.45 176.96 1abb h GLN 539 N 1.26 0.22 0.60 1.90 4.15 -0.19 0.16 115.11 123.21 1abb h GLN 539 Ca 0.37 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.71 1abb h GLN 539 Cb -0.07 -0.03 0.01 0.00 0.21 0.00 0.00 27.48 27.60 1abb h GLN 539 CO -0.10 0.38 -0.29 0.93 -1.93 0.00 0.00 178.83 177.82 1abb h GLU 540 N 0.21 -0.77 -0.68 1.69 3.07 0.07 -1.52 114.58 116.64 1abb h GLU 540 Ca 0.04 0.05 0.06 0.00 -0.50 0.00 0.00 59.36 59.01 1abb h GLU 540 Cb 0.40 0.18 -0.05 0.00 -0.84 0.00 0.00 28.75 28.43 1abb h GLU 540 CO 0.02 -0.47 0.39 -0.91 -1.40 0.00 0.00 179.01 176.64 1abb h ASN 541 N -0.95 0.59 -0.30 1.42 -0.26 -0.10 -0.90 115.58 115.08 1abb h ASN 541 Ca -0.08 0.03 -0.12 0.00 -0.56 0.00 0.00 56.30 55.57 1abb h ASN 541 Cb 0.66 -0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 37.82 1abb h ASN 541 CO 0.13 0.38 -0.27 0.11 -1.06 0.00 0.00 177.43 176.73 1abb h LYS 542 N 0.72 0.72 -0.12 0.81 1.57 -0.69 0.10 116.57 119.68 1abb h LYS 542 Ca 0.30 -0.37 0.04 0.00 -1.87 0.00 0.00 60.65 58.76 1abb h LYS 542 Cb 0.17 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.42 1abb h LYS 542 CO -0.17 0.98 -0.36 -0.07 -0.57 0.00 0.00 179.45 179.26 1abb h LEU 543 N 0.47 -1.13 -0.37 2.94 -0.00 -0.81 0.37 115.31 116.77 1abb h LEU 543 Ca 0.05 0.16 -0.05 0.00 -0.00 0.00 0.00 57.88 58.04 1abb h LEU 543 Cb 0.84 0.47 -0.01 0.00 -0.00 0.00 0.00 40.66 41.96 1abb h LEU 543 CO 0.07 -0.39 0.03 0.11 -0.00 0.00 0.00 178.44 178.26 1abb h LYS 544 N -0.45 0.64 -0.38 1.13 1.57 -0.87 -0.41 116.57 117.80 1abb h LYS 544 Ca 0.09 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 1abb h LYS 544 Cb 0.59 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 1abb h LYS 544 CO -0.37 0.72 0.17 0.35 -0.57 0.00 0.00 179.45 179.75 1abb h PHE 545 N 0.47 0.52 -0.42 -1.35 3.57 -0.47 0.22 116.94 119.48 1abb h PHE 545 Ca 0.11 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.52 1abb h PHE 545 Cb 0.41 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 1abb h PHE 545 CO 0.03 0.41 -0.07 0.00 -2.23 0.00 0.00 178.31 176.45 1abb h ALA 546 N 1.65 1.10 -0.23 2.41 0.00 0.62 -1.48 119.26 123.33 1abb h ALA 546 Ca 0.13 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1abb h ALA 546 Cb 0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1abb h ALA 546 CO -0.02 0.56 -0.12 0.00 0.00 0.00 0.00 179.25 179.67 1abb h ALA 547 N 1.26 0.33 0.00 0.00 0.00 -0.31 -2.61 119.26 117.93 1abb h ALA 547 Ca 0.12 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1abb h ALA 547 Cb 0.51 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1abb h ALA 547 CO 0.03 0.19 -0.06 -0.92 0.00 0.00 0.00 179.25 178.49 1abb h TYR 548 N 0.21 0.00 0.00 0.00 5.03 -0.29 -0.54 116.97 121.38 1abb h TYR 548 Ca 0.05 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.36 1abb h TYR 548 Cb 0.63 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.91 1abb h TYR 548 CO 0.06 0.06 0.00 1.28 -1.32 0.00 0.00 178.16 178.24 1abb n LEU 549 N -3.75 0.18 0.00 2.82 4.32 -0.62 -1.86 117.00 118.08 1abb n LEU 549 Ca -0.02 -0.09 0.00 0.00 -0.02 0.00 0.00 56.01 55.87 1abb n LEU 549 Cb 0.16 -0.09 0.00 0.00 -1.62 0.00 0.00 43.42 41.87 1abb n LEU 549 CO 0.29 0.05 -0.31 -0.62 -1.22 0.00 0.00 177.39 175.57 1abb n GLU 550 N -0.40 0.00 -0.09 3.23 -0.58 -0.32 -1.63 120.64 120.86 1abb n GLU 550 Ca 0.00 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.62 1abb n GLU 550 Cb 0.05 -0.55 0.00 0.00 -0.57 0.00 0.00 31.44 30.37 1abb n GLU 550 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1abb h ARG 551 N 0.00 0.85 -3.16 3.49 2.43 -1.24 -3.38 114.38 113.37 1abb h ARG 551 Ca 0.00 -0.46 -0.55 0.00 -0.81 0.00 0.00 59.98 58.15 1abb h ARG 551 Cb 0.62 0.02 -0.40 0.00 -0.42 0.00 0.00 29.97 29.80 1abb h ARG 551 CO 0.00 1.11 -0.77 -2.00 -1.51 0.00 0.00 179.97 176.80 1abb s GLU 552 N -4.32 0.44 0.00 0.20 2.12 -0.78 -5.01 118.70 111.35 1abb s GLU 552 Ca -0.10 -0.77 0.00 0.00 0.36 0.00 0.00 54.97 54.46 1abb s GLU 552 Cb 0.11 -1.57 0.00 0.00 0.26 0.00 0.00 34.13 32.94 1abb s GLU 552 CO 0.87 -0.99 0.00 0.66 -0.54 0.00 0.00 175.26 175.26 1abb n TYR 553 N 5.06 0.00 -3.81 5.30 4.01 -1.26 -4.41 117.16 122.05 1abb n TYR 553 Ca -0.04 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.57 1abb n TYR 553 Cb 0.42 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.35 1abb n TYR 553 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1abb s LYS 554 N -1.91 0.51 0.00 -0.72 3.01 -1.21 -3.23 119.74 116.19 1abb s LYS 554 Ca 0.00 -0.17 0.00 0.00 -1.01 0.00 0.00 55.97 54.79 1abb s LYS 554 Cb 0.00 0.22 0.00 0.00 -1.01 0.00 0.00 37.83 37.04 1abb s LYS 554 CO 0.00 -0.12 0.00 1.33 0.51 0.00 0.00 175.35 177.07 1abb n VAL 555 N 1.69 0.00 -2.34 3.17 0.24 -0.64 -4.88 118.33 115.57 1abb n VAL 555 Ca -0.20 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.09 1abb n VAL 555 Cb 0.56 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.94 1abb n VAL 555 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 1abb n HIS 556 N -0.25 -1.56 -1.84 6.34 -0.00 -1.26 -5.05 115.22 111.59 1abb n HIS 556 Ca 0.00 0.59 -0.33 0.00 0.46 0.00 0.00 57.72 58.44 1abb n HIS 556 Cb 0.00 -2.94 0.04 0.00 -0.12 0.00 0.00 29.99 26.96 1abb n HIS 556 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 1abb s ILE 557 N -3.02 3.48 -0.36 3.57 -1.09 -1.26 -5.01 121.20 117.50 1abb s ILE 557 Ca 0.02 0.68 -0.06 0.00 -2.23 0.00 0.00 60.65 59.06 1abb s ILE 557 Cb -0.00 -3.21 0.06 0.00 -1.58 0.00 0.00 42.46 37.73 1abb s ILE 557 CO 0.40 -0.44 0.14 0.21 -1.23 0.00 0.00 174.94 174.03 1abb s ASN 558 N -2.73 5.31 0.00 3.58 3.84 -1.26 -4.94 114.94 118.75 1abb s ASN 558 Ca 0.65 -1.42 0.07 0.00 0.21 0.00 0.00 52.86 52.38 1abb s ASN 558 Cb -0.19 -1.86 0.36 0.00 -0.55 0.00 0.00 41.25 39.01 1abb s ASN 558 CO 0.41 -0.41 1.13 -2.65 -2.79 0.00 0.00 177.10 172.79 1abb n PRO 559 N 4.77 0.08 0.09 0.43 -0.02 -1.26 0.42 135.00 139.50 1abb n PRO 559 Ca -0.10 0.25 0.12 0.00 -2.02 0.00 0.00 63.50 61.75 1abb n PRO 559 Cb 0.43 -1.50 0.05 0.00 -0.02 0.00 0.00 33.50 32.46 1abb n PRO 559 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1abb n ASN 560 N -1.34 0.79 -4.65 2.55 4.13 -1.26 -4.72 115.26 110.75 1abb n ASN 560 Ca 0.03 0.22 -0.30 0.00 1.68 0.00 0.00 54.58 56.21 1abb n ASN 560 Cb 0.07 0.41 0.17 0.00 -1.54 0.00 0.00 39.78 38.89 1abb n ASN 560 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1abb s SER 561 N -4.92 2.78 -0.14 6.41 1.04 0.17 -4.94 113.70 114.09 1abb s SER 561 Ca 0.02 1.81 -0.29 0.00 0.48 0.00 0.00 55.95 57.96 1abb s SER 561 Cb 0.11 -2.40 -0.01 0.00 0.10 0.00 0.00 66.02 63.82 1abb s SER 561 CO 0.77 -3.12 1.15 -0.22 0.98 0.00 0.00 173.24 172.80 1abb s LEU 562 N -6.57 4.20 -0.52 2.42 0.20 -0.87 -4.83 118.68 112.71 1abb s LEU 562 Ca 0.66 1.62 -0.11 0.00 0.69 0.00 0.00 54.13 56.99 1abb s LEU 562 Cb -0.21 -3.55 0.13 0.00 -0.43 0.00 0.00 46.19 42.13 1abb s LEU 562 CO 0.59 -0.64 0.42 -0.36 -0.29 0.00 0.00 176.35 176.07 1abb s PHE 563 N 2.81 3.40 -0.52 5.38 0.40 -1.26 -0.59 117.98 127.60 1abb s PHE 563 Ca 0.51 -1.77 -0.19 0.00 -0.60 0.00 0.00 56.93 54.88 1abb s PHE 563 Cb -0.20 -3.59 0.06 0.00 0.51 0.00 0.00 43.02 39.80 1abb s PHE 563 CO 0.15 -1.00 0.66 0.34 0.70 0.00 0.00 175.22 176.07 1abb s ASP 564 N 2.79 6.22 -0.04 1.36 2.15 -0.30 0.14 116.67 129.00 1abb s ASP 564 Ca 0.06 -0.96 0.04 0.00 0.43 0.00 0.00 52.55 52.12 1abb s ASP 564 Cb -0.26 -2.30 -0.00 0.00 -0.30 0.00 0.00 42.92 40.06 1abb s ASP 564 CO -0.00 -0.95 -0.15 0.54 -0.17 0.00 0.00 175.17 174.43 1abb s VAL 565 N 2.73 1.30 -0.24 1.11 0.11 -1.01 0.13 120.40 124.52 1abb s VAL 565 Ca 0.15 -0.64 0.02 0.00 -2.93 0.00 0.00 61.98 58.58 1abb s VAL 565 Cb -0.20 -1.12 0.05 0.00 -1.53 0.00 0.00 36.38 33.59 1abb s VAL 565 CO 0.11 0.38 -0.11 -1.58 -3.33 0.00 0.00 175.10 170.57 1abb s GLN 566 N 0.08 2.19 -0.32 1.54 0.74 -0.38 -0.87 119.66 122.64 1abb s GLN 566 Ca -0.04 -1.19 -0.00 0.00 0.05 0.00 0.00 55.36 54.18 1abb s GLN 566 Cb -0.11 -2.76 0.10 0.00 1.10 0.00 0.00 33.01 31.34 1abb s GLN 566 CO 0.02 -0.52 0.11 0.14 -0.55 0.00 0.00 175.29 174.48 1abb s VAL 567 N 1.20 0.96 0.12 1.34 -7.23 -1.26 -1.43 120.40 114.09 1abb s VAL 567 Ca -0.06 -1.53 -0.16 0.00 -1.81 0.00 0.00 61.98 58.42 1abb s VAL 567 Cb -0.19 -1.72 0.03 0.00 0.56 0.00 0.00 36.38 35.06 1abb s VAL 567 CO -0.06 -0.70 0.38 -0.54 -0.31 0.00 0.00 175.10 173.87 1abb s LYS 568 N 1.48 1.05 -0.14 4.82 1.02 -0.83 -4.98 119.74 122.16 1abb s LYS 568 Ca 0.11 -0.72 -0.31 0.00 0.02 0.00 0.00 55.97 55.06 1abb s LYS 568 Cb -0.18 0.46 -0.09 0.00 -0.52 0.00 0.00 37.83 37.50 1abb s LYS 568 CO -0.22 -0.40 2.07 -2.13 -0.92 0.00 0.00 175.35 173.74 1abb n ARG 569 N -0.20 2.11 -0.04 1.68 0.63 -1.26 -4.15 116.66 115.44 1abb n ARG 569 Ca -0.16 0.69 -0.00 0.00 -0.92 0.00 0.00 57.85 57.46 1abb n ARG 569 Cb 0.64 -2.91 -0.00 0.00 0.45 0.00 0.00 32.46 30.63 1abb n ARG 569 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1abb n ILE 570 N 6.44 0.00 -3.80 5.15 2.08 -1.24 -4.67 119.36 123.32 1abb n ILE 570 Ca 0.27 -0.00 -0.25 0.00 0.56 0.00 0.00 62.75 63.33 1abb n ILE 570 Cb 0.36 -1.40 -0.03 0.00 -0.75 0.00 0.00 39.64 37.82 1abb n ILE 570 CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 1abb s HIS 571 N 4.75 3.48 0.20 1.39 2.46 -1.26 -4.41 115.29 121.90 1abb s HIS 571 Ca 0.00 0.19 -0.11 0.00 0.47 0.00 0.00 55.06 55.62 1abb s HIS 571 Cb 0.00 -1.74 0.26 0.00 -0.13 0.00 0.00 32.58 30.98 1abb s HIS 571 CO 0.00 0.41 1.69 0.93 -2.47 0.00 0.00 174.74 175.30 1abb h GLU 572 N 1.74 0.18 0.00 2.88 5.08 -1.99 -0.44 114.58 122.03 1abb h GLU 572 Ca -0.49 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 57.85 1abb h GLU 572 Cb 1.20 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 1abb h GLU 572 CO 0.66 0.12 -0.02 0.10 -1.00 0.00 0.00 179.01 178.87 1abb h TYR 573 N 0.19 0.00 0.00 4.33 -0.00 -1.95 0.14 116.97 119.68 1abb h TYR 573 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.03 1abb h TYR 573 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.18 1abb h TYR 573 CO -0.29 0.02 0.00 1.63 -0.00 0.00 0.00 178.16 179.53 1abb n LYS 574 N -3.20 0.95 -3.94 0.10 4.01 -0.18 -3.59 118.16 112.31 1abb n LYS 574 Ca -0.01 0.00 -0.27 0.00 -0.51 0.00 0.00 58.31 57.51 1abb n LYS 574 Cb 0.20 -1.50 -0.05 0.00 -0.51 0.00 0.00 35.03 33.16 1abb n LYS 574 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1abb n ARG 575 N -1.00 -0.81 0.21 1.97 1.74 0.48 -4.58 116.66 114.66 1abb n ARG 575 Ca 0.23 0.03 0.05 0.00 -0.77 0.00 0.00 57.85 57.39 1abb n ARG 575 Cb 0.10 -2.50 0.45 0.00 -1.02 0.00 0.00 32.46 29.49 1abb n ARG 575 CO 0.00 0.00 0.00 -0.56 -1.52 0.00 0.00 177.63 175.55 1abb h GLN 576 N -1.22 0.00 -0.79 5.56 -0.00 -1.81 -2.48 115.11 114.37 1abb h GLN 576 Ca -0.52 0.00 0.07 0.00 -0.00 0.00 0.00 58.65 58.20 1abb h GLN 576 Cb 1.09 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 28.51 1abb h GLN 576 CO 0.51 0.30 0.52 -0.07 -0.00 0.00 0.00 178.83 180.09 1abb h LEU 577 N 0.00 0.74 0.27 0.06 3.38 -1.89 0.12 115.31 117.99 1abb h LEU 577 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1abb h LEU 577 Cb 0.58 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1abb h LEU 577 CO 0.04 0.47 -0.31 0.25 0.09 0.00 0.00 178.44 178.98 1abb h LEU 578 N 0.84 -0.86 -1.38 1.67 5.85 -1.82 0.22 115.31 119.82 1abb h LEU 578 Ca 0.35 0.08 0.09 0.00 0.84 0.00 0.00 57.88 59.24 1abb h LEU 578 Cb 0.27 0.30 -0.05 0.00 0.37 0.00 0.00 40.66 41.55 1abb h LEU 578 CO -0.12 -0.43 0.50 -1.13 -0.34 0.00 0.00 178.44 176.91 1abb h ASN 579 N -0.63 0.63 0.24 1.25 -0.00 -1.36 0.25 115.58 115.96 1abb h ASN 579 Ca -0.00 0.01 -0.09 0.00 -0.00 0.00 0.00 56.30 56.22 1abb h ASN 579 Cb 0.59 -0.12 -0.01 0.00 -0.00 0.00 0.00 38.32 38.78 1abb h ASN 579 CO -0.09 0.38 -0.37 0.00 -0.00 0.00 0.00 177.43 177.35 1abb h LEU 581 N 0.15 0.56 -1.06 0.00 3.38 0.12 -0.45 115.31 118.01 1abb h LEU 581 Ca 0.02 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.67 1abb h LEU 581 Cb 0.72 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1abb h LEU 581 CO 0.05 0.87 -0.32 -0.74 0.09 0.00 0.00 178.44 178.39 1abb h HIS 582 N 0.45 0.31 0.01 1.13 2.76 -0.78 0.14 115.15 119.17 1abb h HIS 582 Ca 0.05 -0.07 -0.18 0.00 -2.20 0.00 0.00 60.37 57.97 1abb h HIS 582 Cb 0.83 -0.07 0.01 0.00 1.55 0.00 0.00 27.41 29.73 1abb h HIS 582 CO 0.03 0.56 -0.70 0.28 -1.30 0.00 0.00 177.93 176.80 1abb h VAL 583 N 0.24 1.41 -0.95 5.26 2.07 0.04 -1.86 116.25 122.45 1abb h VAL 583 Ca 0.03 -2.14 0.01 0.00 0.82 0.00 0.00 66.70 65.42 1abb h VAL 583 Cb 0.68 2.61 -0.05 0.00 -1.52 0.00 0.00 31.29 33.01 1abb h VAL 583 CO 0.05 0.63 0.63 0.40 0.02 0.00 0.00 177.57 179.30 1abb h ILE 584 N -0.04 1.24 -0.12 4.57 2.04 -0.94 0.60 117.51 124.87 1abb h ILE 584 Ca -0.09 -0.44 0.04 0.00 1.00 0.00 0.00 64.86 65.37 1abb h ILE 584 Cb 1.41 -0.16 -0.05 0.00 -0.74 0.00 0.00 36.82 37.28 1abb h ILE 584 CO 0.14 0.23 -0.21 0.74 0.00 0.00 0.00 178.15 179.05 1abb h THR 585 N 1.28 0.48 -0.83 -0.27 2.02 -0.52 -0.43 112.91 114.64 1abb h THR 585 Ca 0.35 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.64 1abb h THR 585 Cb -0.14 0.48 -0.06 0.00 -1.74 0.00 0.00 68.15 66.70 1abb h THR 585 CO -0.08 0.00 0.54 -0.07 0.37 0.00 0.00 175.52 176.28 1abb h LEU 586 N -0.27 0.66 0.82 2.58 4.07 -0.11 -1.35 115.31 121.71 1abb h LEU 586 Ca 0.10 0.03 -0.04 0.00 0.08 0.00 0.00 57.88 58.04 1abb h LEU 586 Cb 0.41 -0.11 -0.00 0.00 1.08 0.00 0.00 40.66 42.04 1abb h LEU 586 CO -0.27 0.37 -0.48 0.22 -1.08 0.00 0.00 178.44 177.20 1abb h TYR 587 N 0.72 -1.28 -0.89 1.13 3.20 0.47 -2.35 116.97 117.98 1abb h TYR 587 Ca 0.40 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.36 1abb h TYR 587 Cb 0.55 0.45 -0.07 0.00 1.54 0.00 0.00 36.73 39.20 1abb h TYR 587 CO -0.00 -0.73 0.57 -0.91 -1.64 0.00 0.00 178.16 175.45 1abb h ASN 588 N -1.21 0.75 0.83 -2.11 2.35 -0.05 -1.00 115.58 115.14 1abb h ASN 588 Ca -0.11 0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.63 1abb h ASN 588 Cb 0.96 -0.12 0.01 0.00 0.05 0.00 0.00 38.32 39.22 1abb h ASN 588 CO 0.13 0.42 -0.40 0.03 -1.65 0.00 0.00 177.43 175.96 1abb h ARG 589 N 0.81 -1.08 -0.10 0.81 3.08 -1.30 0.62 114.38 117.23 1abb h ARG 589 Ca 0.42 0.07 0.03 0.00 0.07 0.00 0.00 59.98 60.58 1abb h ARG 589 Cb 0.52 0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.81 1abb h ARG 589 CO -0.19 -0.71 0.35 0.82 -1.07 0.00 0.00 179.97 179.18 1abb h ILE 590 N -1.19 0.10 0.04 2.04 2.04 -0.64 -0.05 117.51 119.85 1abb h ILE 590 Ca -0.11 0.00 -0.31 0.00 1.00 0.00 0.00 64.86 65.44 1abb h ILE 590 Cb 0.87 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 1abb h ILE 590 CO 0.19 0.00 -1.74 0.11 0.00 0.00 0.00 178.15 176.71 1abb h LYS 591 N 0.00 0.08 -0.24 2.37 1.57 -0.99 -3.32 116.57 116.05 1abb h LYS 591 Ca 0.05 -0.14 -0.17 0.00 -1.87 0.00 0.00 60.65 58.52 1abb h LYS 591 Cb 0.76 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.11 1abb h LYS 591 CO -0.00 0.74 -0.52 -0.22 -0.57 0.00 0.00 179.45 178.87 1abb h LYS 592 N 0.02 0.69 -2.18 3.15 3.64 0.95 -3.39 116.57 119.46 1abb h LYS 592 Ca -0.31 -0.42 -0.55 0.00 -1.27 0.00 0.00 60.65 58.10 1abb h LYS 592 Cb 2.01 0.04 -0.41 0.00 -0.41 0.00 0.00 32.23 33.46 1abb h LYS 592 CO 0.09 1.04 -0.83 0.39 -2.27 0.00 0.00 179.45 177.87 1abb n GLU 593 N -3.99 2.49 -0.47 1.90 -0.58 -0.59 -5.00 120.64 114.40 1abb n GLU 593 Ca -0.03 -4.37 0.40 0.00 -0.42 0.00 0.00 57.16 52.74 1abb n GLU 593 Cb 0.60 -2.06 0.71 0.00 -0.57 0.00 0.00 31.44 30.12 1abb n GLU 593 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 1abb h PRO 594 N 2.98 0.07 -0.31 3.49 0.11 -1.77 -1.30 132.00 135.27 1abb h PRO 594 Ca 0.12 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.19 1abb h PRO 594 Cb 0.66 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.74 1abb h PRO 594 CO 0.71 0.05 0.01 0.09 -0.21 0.00 0.00 178.00 178.65 1abb n ASN 595 N -4.32 3.88 -4.83 -2.05 3.02 -1.26 -4.95 115.26 104.76 1abb n ASN 595 Ca 0.35 -3.11 -0.36 0.00 -0.03 0.00 0.00 54.58 51.43 1abb n ASN 595 Cb 1.48 -0.57 -0.06 0.00 -0.61 0.00 0.00 39.78 40.02 1abb n ASN 595 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1abb s LYS 596 N -2.89 4.13 -0.13 3.52 2.36 -0.49 -5.02 119.74 121.22 1abb s LYS 596 Ca 0.44 0.70 -0.29 0.00 -2.55 0.00 0.00 55.97 54.26 1abb s LYS 596 Cb 0.36 -2.92 -0.01 0.00 -1.05 0.00 0.00 37.83 34.20 1abb s LYS 596 CO 0.08 0.45 1.09 0.12 1.55 0.00 0.00 175.35 178.64 1abb s PHE 597 N -1.47 3.33 -0.03 4.03 5.36 -1.26 -5.01 117.98 122.92 1abb s PHE 597 Ca 0.40 1.41 0.06 0.00 -0.96 0.00 0.00 56.93 57.85 1abb s PHE 597 Cb -0.16 -3.30 -0.02 0.00 -0.34 0.00 0.00 43.02 39.20 1abb s PHE 597 CO 0.20 -0.69 -0.22 0.54 -1.46 0.00 0.00 175.22 173.59 1abb s VAL 598 N 2.50 2.41 -0.11 3.12 0.11 -1.26 -5.09 120.40 122.08 1abb s VAL 598 Ca 0.50 -0.97 -0.30 0.00 -2.93 0.00 0.00 61.98 58.28 1abb s VAL 598 Cb -0.19 -1.88 -0.03 0.00 -1.53 0.00 0.00 36.38 32.75 1abb s VAL 598 CO 0.16 0.58 1.32 -0.69 -3.33 0.00 0.00 175.10 173.13 1abb s VAL 599 N -0.60 4.12 0.36 2.04 1.01 -1.26 -4.98 120.40 121.09 1abb s VAL 599 Ca 0.09 1.40 -0.28 0.00 0.00 0.00 0.00 61.98 63.18 1abb s VAL 599 Cb -0.11 -3.90 -0.11 0.00 0.00 0.00 0.00 36.38 32.27 1abb s VAL 599 CO -0.00 -0.09 1.42 -2.16 0.00 0.00 0.00 175.10 174.27 1abb s PRO 600 N 3.18 4.21 0.13 2.72 0.04 -1.26 -4.96 135.00 139.06 1abb s PRO 600 Ca 0.58 2.43 0.02 0.00 0.04 0.00 0.00 61.00 64.07 1abb s PRO 600 Cb -0.25 -3.01 -0.04 0.00 0.04 0.00 0.00 34.50 31.24 1abb s PRO 600 CO 0.19 -0.40 -0.03 1.03 0.04 0.00 0.00 177.00 177.83 1abb s ARG 601 N -1.98 0.96 -0.16 4.56 0.52 -1.00 -2.04 118.95 119.81 1abb s ARG 601 Ca 0.51 -1.42 -0.04 0.00 -0.52 0.00 0.00 55.73 54.26 1abb s ARG 601 Cb -0.44 -0.23 0.08 0.00 0.52 0.00 0.00 34.95 34.88 1abb s ARG 601 CO 0.59 -0.07 0.25 0.99 0.02 0.00 0.00 175.30 177.08 1abb s THR 602 N -3.65 -0.39 -0.25 0.02 2.01 0.24 -3.82 115.64 109.80 1abb s THR 602 Ca 0.17 0.13 -0.15 0.00 0.31 0.00 0.00 61.69 62.15 1abb s THR 602 Cb 0.06 -0.54 -0.04 0.00 0.01 0.00 0.00 72.50 71.99 1abb s THR 602 CO -0.01 -0.00 0.39 -0.69 -0.69 0.00 0.00 174.62 173.62 1abb s VAL 603 N 2.39 5.17 -0.17 3.82 1.01 -0.88 -1.15 120.40 130.59 1abb s VAL 603 Ca 0.04 0.62 0.00 0.00 0.00 0.00 0.00 61.98 62.65 1abb s VAL 603 Cb -0.13 -3.71 0.04 0.00 0.00 0.00 0.00 36.38 32.57 1abb s VAL 603 CO -0.10 0.17 -0.10 -0.04 0.00 0.00 0.00 175.10 175.03 1abb s MET 604 N 1.93 1.89 0.03 2.72 -1.94 0.12 -0.58 119.30 123.48 1abb s MET 604 Ca 0.16 -0.64 0.07 0.00 -1.71 0.00 0.00 55.69 53.57 1abb s MET 604 Cb -0.16 -2.17 -0.03 0.00 2.01 0.00 0.00 34.83 34.49 1abb s MET 604 CO 0.09 -0.37 -0.17 0.42 -0.01 0.00 0.00 175.02 174.98 1abb s ILE 605 N 1.51 2.85 -0.22 2.53 1.01 -0.29 -1.25 121.20 127.34 1abb s ILE 605 Ca 0.01 -1.13 -0.18 0.00 0.00 0.00 0.00 60.65 59.35 1abb s ILE 605 Cb -0.15 -2.20 0.06 0.00 0.01 0.00 0.00 42.46 40.18 1abb s ILE 605 CO -0.09 0.36 0.58 -0.83 0.00 0.00 0.00 174.94 174.96 1abb s GLY 606 N -1.39 -0.46 0.00 6.18 0.00 -0.52 0.33 107.32 111.47 1abb s GLY 606 Ca 0.15 1.77 0.00 0.00 0.00 0.00 0.00 44.72 46.64 1abb s GLY 606 CO 0.05 1.64 0.00 0.61 0.00 0.00 0.00 173.10 175.40 1abb n GLY 607 N 3.27 1.19 3.70 0.20 0.00 -1.26 -1.96 105.19 110.33 1abb n GLY 607 Ca -0.16 -0.71 -0.35 0.00 0.00 0.00 0.00 46.02 44.80 1abb n GLY 607 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1abb s LYS 608 N -2.00 4.13 0.00 1.61 1.02 -1.26 -4.84 119.74 118.40 1abb s LYS 608 Ca 0.00 -0.25 0.00 0.00 0.02 0.00 0.00 55.97 55.74 1abb s LYS 608 Cb 0.00 -3.41 0.00 0.00 -0.52 0.00 0.00 37.83 33.90 1abb s LYS 608 CO 0.00 0.25 0.99 0.00 -0.92 0.00 0.00 175.35 175.68 1abb n ALA 609 N 3.65 -0.25 0.00 5.17 0.00 -1.26 -3.69 120.51 124.14 1abb n ALA 609 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1abb n ALA 609 Cb 0.52 0.25 0.00 0.00 0.00 0.00 0.00 19.45 20.22 1abb n ALA 609 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1abb n ALA 610 N -2.48 0.00 -1.93 0.00 0.00 -1.26 -4.53 120.51 110.31 1abb n ALA 610 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1abb n ALA 610 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1abb n ALA 610 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1abb s PRO 611 N -0.89 4.40 0.00 0.00 0.02 -1.26 -0.43 135.00 136.85 1abb s PRO 611 Ca 0.00 2.07 0.00 0.00 0.02 0.00 0.00 61.00 63.09 1abb s PRO 611 Cb 0.00 -3.17 0.00 0.00 0.02 0.00 0.00 34.50 31.35 1abb s PRO 611 CO 0.00 -0.20 0.00 0.41 -0.33 0.00 0.00 177.00 176.88 1abb n GLY 612 N 1.91 3.01 3.48 0.52 0.00 -1.26 -4.93 105.19 107.92 1abb n GLY 612 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1abb n GLY 612 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1abb s TYR 613 N -2.84 2.83 0.53 1.61 5.04 0.43 -4.94 117.35 120.02 1abb s TYR 613 Ca 0.00 -0.97 0.20 0.00 -2.44 0.00 0.00 57.07 53.86 1abb s TYR 613 Cb 0.00 -4.39 1.37 0.00 0.35 0.00 0.00 41.96 39.29 1abb s TYR 613 CO 0.00 -1.66 2.11 1.25 -1.34 0.00 0.00 175.55 175.91 1abb h HIS 614 N 9.30 0.00 0.78 4.97 -0.00 -1.94 -2.71 115.15 125.55 1abb h HIS 614 Ca 0.02 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.35 1abb h HIS 614 Cb 1.04 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 28.45 1abb h HIS 614 CO 1.13 0.00 -0.38 1.98 -0.00 0.00 0.00 177.93 180.67 1abb h MET 615 N 0.00 -1.01 -0.81 5.26 -1.53 -1.97 -1.81 114.93 113.07 1abb h MET 615 Ca 0.08 0.07 0.20 0.00 -3.44 0.00 0.00 59.70 56.60 1abb h MET 615 Cb 0.32 0.23 -0.13 0.00 -0.55 0.00 0.00 31.60 31.47 1abb h MET 615 CO -0.00 -0.68 0.15 0.00 0.14 0.00 0.00 176.91 176.52 1abb h ALA 616 N -1.37 1.04 -0.78 0.39 0.00 -1.70 1.28 119.26 118.13 1abb h ALA 616 Ca -0.11 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1abb h ALA 616 Cb 0.81 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1abb h ALA 616 CO 0.18 -0.42 0.50 0.87 0.00 0.00 0.00 179.25 180.38 1abb h LYS 617 N 0.20 1.03 -0.50 0.00 1.57 -1.41 -1.72 116.57 115.73 1abb h LYS 617 Ca 0.47 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 59.09 1abb h LYS 617 Cb 0.89 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 1abb h LYS 617 CO -0.62 0.69 -0.06 0.52 -0.57 0.00 0.00 179.45 179.41 1abb h MET 618 N 1.06 0.93 0.40 3.15 2.86 0.24 -3.08 114.93 120.48 1abb h MET 618 Ca 0.28 -0.33 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1abb h MET 618 Cb -0.10 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.48 1abb h MET 618 CO -0.06 0.98 -0.35 0.82 1.06 0.00 0.00 176.91 179.36 1abb h ILE 619 N 0.79 0.00 -1.21 -1.22 2.04 0.12 -2.03 117.51 116.00 1abb h ILE 619 Ca 0.13 0.00 0.35 0.00 1.00 0.00 0.00 64.86 66.34 1abb h ILE 619 Cb 0.60 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.60 1abb h ILE 619 CO 0.04 0.00 0.82 0.40 0.00 0.00 0.00 178.15 179.41 1abb h ILE 620 N -0.73 0.36 0.06 -0.67 2.04 -1.48 0.62 117.51 117.71 1abb h ILE 620 Ca -0.05 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 1abb h ILE 620 Cb 0.62 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 1abb h ILE 620 CO -0.02 0.03 -0.03 0.50 0.00 0.00 0.00 178.15 178.64 1abb h LYS 621 N 0.17 -0.08 0.10 2.37 1.63 -1.40 0.37 116.57 119.74 1abb h LYS 621 Ca 0.66 0.01 0.02 0.00 -0.85 0.00 0.00 60.65 60.48 1abb h LYS 621 Cb 2.13 0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 33.73 1abb h LYS 621 CO -0.21 0.07 -0.52 1.25 -3.45 0.00 0.00 179.45 176.59 1abb h LEU 622 N -0.21 -1.57 -2.00 5.20 6.46 0.94 -1.37 115.31 122.77 1abb h LEU 622 Ca -0.01 0.17 0.17 0.00 -0.12 0.00 0.00 57.88 58.09 1abb h LEU 622 Cb 0.18 0.58 -0.02 0.00 -0.73 0.00 0.00 40.66 40.67 1abb h LEU 622 CO 0.01 -0.55 0.42 0.40 -0.62 0.00 0.00 178.44 178.11 1abb h ILE 623 N -0.73 0.70 0.21 4.05 2.04 -1.16 -0.17 117.51 122.44 1abb h ILE 623 Ca 0.00 0.00 -0.29 0.00 1.00 0.00 0.00 64.86 65.57 1abb h ILE 623 Cb 0.75 0.70 0.03 0.00 -0.74 0.00 0.00 36.82 37.56 1abb h ILE 623 CO -0.30 0.00 -1.31 0.71 0.00 0.00 0.00 178.15 177.25 1abb h THR 624 N 0.00 1.30 0.00 -0.27 1.35 0.20 -3.32 112.91 112.17 1abb h THR 624 Ca 0.28 -2.61 -0.07 0.00 -0.55 0.00 0.00 66.41 63.45 1abb h THR 624 Cb 1.13 3.05 -0.01 0.00 -1.73 0.00 0.00 68.15 70.58 1abb h THR 624 CO -0.00 0.78 -0.35 0.00 -0.25 0.00 0.00 175.52 175.70 1abb h ALA 625 N 0.11 0.88 0.42 6.62 0.00 -0.62 0.15 119.26 126.82 1abb h ALA 625 Ca -0.24 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 1abb h ALA 625 Cb 1.99 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.71 1abb h ALA 625 CO 0.22 0.44 -0.29 0.82 0.00 0.00 0.00 179.25 180.43 1abb h ILE 626 N 0.00 0.39 -0.22 0.00 2.04 -1.30 -1.95 117.51 116.46 1abb h ILE 626 Ca -0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1abb h ILE 626 Cb 1.04 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1abb h ILE 626 CO 0.05 0.00 0.05 1.23 0.00 0.00 0.00 178.15 179.47 1abb h GLY 627 N -0.70 0.34 0.97 5.37 0.00 -1.43 -0.65 103.07 106.96 1abb h GLY 627 Ca -0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1abb h GLY 627 CO 0.02 0.15 0.19 -0.55 0.00 0.00 0.00 176.54 176.35 1abb h ASP 628 N 0.32 0.42 0.00 0.19 3.32 -0.48 -2.64 116.42 117.55 1abb h ASP 628 Ca 0.08 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1abb h ASP 628 Cb 0.14 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1abb h ASP 628 CO -0.00 0.38 0.00 0.52 -1.72 0.00 0.00 179.24 178.42 1abb n VAL 629 N -4.79 0.00 -0.04 -1.35 0.31 -0.66 -3.32 118.33 108.48 1abb n VAL 629 Ca -0.01 0.94 -0.08 0.00 -0.01 0.00 0.00 64.34 65.19 1abb n VAL 629 Cb 0.07 -1.86 -0.02 0.00 -0.91 0.00 0.00 33.84 31.12 1abb n VAL 629 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 1abb h VAL 630 N 0.00 0.66 0.00 2.52 -1.51 -1.26 -0.42 116.25 116.23 1abb h VAL 630 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1abb h VAL 630 Cb 0.00 0.66 0.00 0.00 -2.13 0.00 0.00 31.29 29.82 1abb h VAL 630 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 176.93 1abb n ASN 631 N -5.27 0.00 -0.00 4.19 3.02 -1.00 -1.31 115.26 114.89 1abb n ASN 631 Ca -0.02 0.18 0.07 0.00 -0.03 0.00 0.00 54.58 54.79 1abb n ASN 631 Cb 0.19 -0.32 -0.10 0.00 -0.61 0.00 0.00 39.78 38.94 1abb n ASN 631 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1abb n HIS 632 N -1.32 0.00 -2.43 3.10 8.25 -0.22 -4.99 115.22 117.61 1abb n HIS 632 Ca 0.05 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.09 1abb n HIS 632 Cb 0.10 -0.19 -0.03 0.00 1.12 0.00 0.00 29.99 30.99 1abb n HIS 632 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1abb s ASP 633 N -3.14 7.03 0.52 0.41 2.15 -0.43 -4.96 116.67 118.25 1abb s ASP 633 Ca -0.01 1.86 0.22 0.00 0.43 0.00 0.00 52.55 55.06 1abb s ASP 633 Cb 0.10 -2.56 1.35 0.00 -0.30 0.00 0.00 42.92 41.51 1abb s ASP 633 CO 0.61 -0.59 2.03 -0.65 -0.17 0.00 0.00 175.17 176.40 1abb h PRO 634 N 7.47 0.02 0.05 4.34 0.11 -1.93 -3.17 132.00 138.90 1abb h PRO 634 Ca -0.35 -0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.52 1abb h PRO 634 Cb 1.17 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1abb h PRO 634 CO 0.88 0.02 -1.05 0.28 -0.21 0.00 0.00 178.00 177.91 1abb h VAL 635 N 0.02 1.45 0.00 3.15 2.07 -1.95 -3.18 116.25 117.82 1abb h VAL 635 Ca 0.20 -2.72 0.00 0.00 0.82 0.00 0.00 66.70 65.00 1abb h VAL 635 Cb 0.75 2.64 0.00 0.00 -1.52 0.00 0.00 31.29 33.16 1abb h VAL 635 CO -0.01 0.80 0.00 0.58 0.02 0.00 0.00 177.57 178.96 1abb h VAL 636 N 0.15 0.00 0.00 2.57 2.07 -1.85 -3.47 116.25 115.72 1abb h VAL 636 Ca -0.10 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1abb h VAL 636 Cb 1.73 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.71 1abb h VAL 636 CO 0.18 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.38 1abb n GLY 637 N 0.20 1.20 0.66 2.17 0.00 -1.20 -0.67 105.19 107.56 1abb n GLY 637 Ca 0.02 0.50 0.03 0.00 0.00 0.00 0.00 46.02 46.57 1abb n GLY 637 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1abb n ASP 638 N 9.75 0.85 0.06 1.61 5.75 -1.26 -4.73 116.55 128.58 1abb n ASP 638 Ca 0.00 -2.39 -0.01 0.00 -0.01 0.00 0.00 54.79 52.38 1abb n ASP 638 Cb 0.00 -0.30 -0.06 0.00 -1.03 0.00 0.00 41.12 39.73 1abb n ASP 638 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 1abb h ARG 639 N 0.33 0.00 -3.57 0.11 3.08 -1.24 -3.45 114.38 109.64 1abb h ARG 639 Ca -0.05 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.81 1abb h ARG 639 Cb 1.40 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 31.21 1abb h ARG 639 CO 0.02 0.42 -0.59 -1.17 -1.07 0.00 0.00 179.97 177.59 1abb s LEU 640 N -6.06 1.69 -0.07 3.04 0.20 -1.24 -2.37 118.68 113.87 1abb s LEU 640 Ca -0.01 -0.00 -0.25 0.00 0.69 0.00 0.00 54.13 54.56 1abb s LEU 640 Cb 0.08 0.39 0.05 0.00 -0.43 0.00 0.00 46.19 46.29 1abb s LEU 640 CO 0.80 -0.16 0.56 -0.60 -0.29 0.00 0.00 176.35 176.66 1abb s ARG 641 N -0.53 0.88 -0.12 1.98 3.52 -1.25 -4.66 118.95 118.78 1abb s ARG 641 Ca -0.06 0.22 0.01 0.00 -0.13 0.00 0.00 55.73 55.77 1abb s ARG 641 Cb -0.04 0.41 0.02 0.00 -1.56 0.00 0.00 34.95 33.78 1abb s ARG 641 CO 0.00 -0.25 -0.14 0.08 -0.81 0.00 0.00 175.30 174.19 1abb s VAL 642 N -0.98 1.42 0.03 7.11 1.01 -1.26 -2.07 120.40 125.66 1abb s VAL 642 Ca -0.10 -0.57 0.07 0.00 0.00 0.00 0.00 61.98 61.38 1abb s VAL 642 Cb -0.02 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 35.01 1abb s VAL 642 CO 0.07 0.43 -0.21 -0.63 0.00 0.00 0.00 175.10 174.75 1abb s ILE 643 N 1.21 1.71 -0.27 2.22 1.01 0.25 -4.67 121.20 122.66 1abb s ILE 643 Ca -0.02 -1.16 -0.13 0.00 0.00 0.00 0.00 60.65 59.34 1abb s ILE 643 Cb -0.14 -1.47 -0.04 0.00 0.01 0.00 0.00 42.46 40.82 1abb s ILE 643 CO -0.05 0.27 0.27 0.12 0.00 0.00 0.00 174.94 175.55 1abb s PHE 644 N -0.74 3.24 -0.91 3.97 5.36 -1.26 -1.13 117.98 126.50 1abb s PHE 644 Ca 0.08 0.26 -0.22 0.00 -0.96 0.00 0.00 56.93 56.09 1abb s PHE 644 Cb -0.09 -2.45 0.08 0.00 -0.34 0.00 0.00 43.02 40.22 1abb s PHE 644 CO 0.01 -0.16 1.27 -0.51 -1.46 0.00 0.00 175.22 174.37 1abb s LEU 645 N 1.81 4.07 0.27 6.12 1.43 0.15 -4.89 118.68 127.64 1abb s LEU 645 Ca 0.11 -1.47 -0.30 0.00 -1.03 0.00 0.00 54.13 51.44 1abb s LEU 645 Cb -0.16 -2.50 -0.13 0.00 0.03 0.00 0.00 46.19 43.43 1abb s LEU 645 CO 0.10 -1.40 1.28 1.21 0.23 0.00 0.00 176.35 177.77 1abb n GLU 646 N 8.05 1.85 -3.54 1.70 2.13 -1.26 -3.88 120.64 125.69 1abb n GLU 646 Ca 0.22 0.65 -0.18 0.00 0.66 0.00 0.00 57.16 58.52 1abb n GLU 646 Cb 0.49 -2.22 0.01 0.00 0.27 0.00 0.00 31.44 29.99 1abb n GLU 646 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1abb n ASN 647 N 1.58 -5.87 -4.72 4.31 5.15 -1.26 -4.86 115.26 109.59 1abb n ASN 647 Ca 0.10 -0.68 -0.42 0.00 -0.60 0.00 0.00 54.58 52.97 1abb n ASN 647 Cb 0.32 -3.08 -0.03 0.00 -0.53 0.00 0.00 39.78 36.46 1abb n ASN 647 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1abb s TYR 648 N -3.06 3.29 0.29 1.20 5.04 -1.25 -4.90 117.35 117.95 1abb s TYR 648 Ca 0.07 1.07 -0.07 0.00 -2.44 0.00 0.00 57.07 55.70 1abb s TYR 648 Cb -0.03 -3.61 0.03 0.00 0.35 0.00 0.00 41.96 38.70 1abb s TYR 648 CO 0.85 -2.06 0.51 2.89 -1.34 0.00 0.00 175.55 176.40 1abb n ARG 649 N 3.74 0.73 0.19 4.97 1.85 -1.26 -4.88 116.66 122.00 1abb n ARG 649 Ca 0.10 -1.85 -0.15 0.00 -1.00 0.00 0.00 57.85 54.96 1abb n ARG 649 Cb 0.43 2.08 -0.08 0.00 -1.05 0.00 0.00 32.46 33.84 1abb n ARG 649 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1abb h VAL 650 N 1.76 0.69 -1.06 8.89 2.07 -1.96 -1.42 116.25 125.22 1abb h VAL 650 Ca -0.24 -0.25 0.28 0.00 0.82 0.00 0.00 66.70 67.31 1abb h VAL 650 Cb 0.92 0.82 -0.10 0.00 -1.52 0.00 0.00 31.29 31.41 1abb h VAL 650 CO 0.31 0.05 0.67 0.77 0.02 0.00 0.00 177.57 179.38 1abb h SER 651 N -0.59 0.47 -0.11 0.57 4.64 -1.95 -1.38 113.55 115.19 1abb h SER 651 Ca -0.05 0.10 -0.05 0.00 -0.47 0.00 0.00 61.79 61.32 1abb h SER 651 Cb 0.43 0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1abb h SER 651 CO 0.08 0.06 -0.15 0.25 -0.87 0.00 0.00 176.83 176.20 1abb h LEU 652 N 0.40 0.32 0.00 5.97 6.46 -1.68 -2.96 115.31 123.82 1abb h LEU 652 Ca 0.63 -0.51 0.00 0.00 -0.12 0.00 0.00 57.88 57.87 1abb h LEU 652 Cb 1.56 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 41.40 1abb h LEU 652 CO -0.35 0.77 0.00 0.00 -0.62 0.00 0.00 178.44 178.24 1abb n ALA 653 N -2.42 -0.06 0.16 1.25 0.00 -0.54 0.68 120.51 119.57 1abb n ALA 653 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1abb n ALA 653 Cb 0.37 0.23 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1abb n ALA 653 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1abb n GLU 654 N -1.52 0.01 -0.10 0.00 0.28 -1.07 -1.65 120.64 116.59 1abb n GLU 654 Ca 0.00 0.45 -0.24 0.00 -0.16 0.00 0.00 57.16 57.21 1abb n GLU 654 Cb 0.00 -2.08 -0.12 0.00 1.43 0.00 0.00 31.44 30.67 1abb n GLU 654 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1abb n LYS 655 N -1.64 0.62 0.07 3.44 5.02 0.21 -4.55 118.16 121.34 1abb n LYS 655 Ca 0.00 0.35 -0.03 0.00 -2.02 0.00 0.00 58.31 56.61 1abb n LYS 655 Cb 0.69 -1.62 -0.07 0.00 -0.02 0.00 0.00 35.03 34.01 1abb n LYS 655 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 1abb h VAL 656 N -0.63 1.07 -0.36 -0.18 3.04 -0.23 -3.35 116.25 115.61 1abb h VAL 656 Ca -0.51 -2.65 -0.08 0.00 -1.01 0.00 0.00 66.70 62.45 1abb h VAL 656 Cb 1.64 2.49 -0.02 0.00 -2.01 0.00 0.00 31.29 33.39 1abb h VAL 656 CO -0.20 0.61 -0.10 0.40 -1.01 0.00 0.00 177.57 177.27 1abb h ILE 657 N 0.00 1.24 -0.95 3.17 2.04 -1.53 -2.31 117.51 119.18 1abb h ILE 657 Ca -0.08 -1.06 0.13 0.00 1.00 0.00 0.00 64.86 64.85 1abb h ILE 657 Cb 1.64 1.08 -0.08 0.00 -0.74 0.00 0.00 36.82 38.73 1abb h ILE 657 CO 0.08 0.36 0.60 -0.65 0.00 0.00 0.00 178.15 178.54 1abb h PRO 658 N 0.57 0.82 0.00 2.37 0.11 -1.80 -3.24 132.00 130.83 1abb h PRO 658 Ca 0.10 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.09 1abb h PRO 658 Cb 0.52 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 1abb h PRO 658 CO 0.03 0.54 -0.35 0.00 -0.21 0.00 0.00 178.00 178.01 1abb h ALA 659 N 1.57 0.96 -2.67 -0.75 0.00 -1.56 -3.46 119.26 113.35 1abb h ALA 659 Ca 0.47 -0.32 -0.52 0.00 0.00 0.00 0.00 54.91 54.54 1abb h ALA 659 Cb 0.60 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.36 1abb h ALA 659 CO -0.24 0.44 0.61 0.00 0.00 0.00 0.00 179.25 180.06 1abb s ALA 660 N -3.54 3.48 -0.12 0.00 0.00 -1.03 -4.71 121.76 115.83 1abb s ALA 660 Ca 0.01 1.04 0.05 0.00 0.00 0.00 0.00 51.96 53.05 1abb s ALA 660 Cb 0.10 -3.45 -0.24 0.00 0.00 0.00 0.00 23.12 19.54 1abb s ALA 660 CO 0.68 -0.47 0.35 -0.25 0.00 0.00 0.00 175.76 176.07 1abb n ASP 661 N 2.56 1.36 -4.21 0.00 8.00 0.37 -4.48 116.55 120.16 1abb n ASP 661 Ca 0.05 0.21 -0.32 0.00 0.71 0.00 0.00 54.79 55.43 1abb n ASP 661 Cb 0.44 -0.25 -0.17 0.00 -0.02 0.00 0.00 41.12 41.12 1abb n ASP 661 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1abb s LEU 662 N -6.41 2.15 -0.48 0.64 1.98 1.00 -1.66 118.68 115.90 1abb s LEU 662 Ca -0.16 -0.56 -0.18 0.00 -2.89 0.00 0.00 54.13 50.34 1abb s LEU 662 Cb 0.07 -1.44 0.05 0.00 0.66 0.00 0.00 46.19 45.53 1abb s LEU 662 CO 0.77 0.13 0.54 -0.55 -1.89 0.00 0.00 176.35 175.35 1abb s SER 663 N 0.54 6.21 -1.15 3.68 0.15 -0.29 -2.42 113.70 120.42 1abb s SER 663 Ca -0.14 -0.89 -0.18 0.00 0.70 0.00 0.00 55.95 55.44 1abb s SER 663 Cb -0.17 -2.26 0.10 0.00 -1.71 0.00 0.00 66.02 61.98 1abb s SER 663 CO 0.04 -0.77 1.50 -1.61 1.20 0.00 0.00 173.24 173.61 1abb s GLU 664 N 2.35 3.86 -0.46 5.44 0.41 -0.05 -2.99 118.70 127.26 1abb s GLU 664 Ca 0.13 -1.90 0.01 0.00 -0.41 0.00 0.00 54.97 52.80 1abb s GLU 664 Cb -0.19 -5.28 0.49 0.00 -1.78 0.00 0.00 34.13 27.37 1abb s GLU 664 CO 0.12 -2.05 1.89 1.04 -0.49 0.00 0.00 175.26 175.77 1abb n GLN 665 N 7.55 2.23 -0.10 1.61 3.00 -1.18 -4.72 117.38 125.76 1abb n GLN 665 Ca 0.38 -2.68 0.00 0.00 -0.01 0.00 0.00 57.00 54.70 1abb n GLN 665 Cb 0.47 -2.05 0.00 0.00 0.00 0.00 0.00 30.24 28.66 1abb n GLN 665 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.06 177.50 1abb n ILE 666 N -0.77 0.76 -2.20 5.09 -5.35 -1.26 -3.95 119.36 111.68 1abb n ILE 666 Ca 0.52 -0.10 -0.40 0.00 -0.27 0.00 0.00 62.75 62.50 1abb n ILE 666 Cb 1.14 -0.96 -0.03 0.00 -1.74 0.00 0.00 39.64 38.06 1abb n ILE 666 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1abb s SER 667 N 1.36 6.87 0.23 7.28 0.01 -1.26 -4.69 113.70 123.50 1abb s SER 667 Ca 0.00 2.59 -0.29 0.00 1.31 0.00 0.00 55.95 59.56 1abb s SER 667 Cb 0.00 -2.64 -0.16 0.00 0.21 0.00 0.00 66.02 63.43 1abb s SER 667 CO 0.00 -0.46 0.85 0.41 0.41 0.00 0.00 173.24 174.46 1abb n THR 668 N 0.85 1.77 -2.54 1.44 -1.04 -1.24 -4.71 114.28 108.81 1abb n THR 668 Ca -0.00 -0.44 -0.33 0.00 -2.04 0.00 0.00 64.05 61.24 1abb n THR 668 Cb 0.43 -0.57 -0.04 0.00 -1.82 0.00 0.00 70.33 68.32 1abb n THR 668 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1abb s ALA 669 N -0.87 3.02 0.00 2.41 0.00 -1.26 -2.58 121.76 122.48 1abb s ALA 669 Ca 0.64 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.91 1abb s ALA 669 Cb -0.83 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.15 1abb s ALA 669 CO 0.57 -0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.60 1abb n GLY 670 N -1.10 0.31 0.11 0.00 0.00 -1.26 -4.76 105.19 98.48 1abb n GLY 670 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 1abb n GLY 670 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1abb n THR 671 N -2.00 1.63 -3.16 2.61 -2.24 -1.06 -4.91 114.28 105.15 1abb n THR 671 Ca 0.00 -0.74 -0.32 0.00 -2.27 0.00 0.00 64.05 60.71 1abb n THR 671 Cb 0.00 -1.22 -0.06 0.00 -2.10 0.00 0.00 70.33 66.95 1abb n THR 671 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1abb s GLU 672 N -2.57 3.99 -0.03 -0.78 0.41 -1.26 -4.89 118.70 113.57 1abb s GLU 672 Ca -0.13 0.64 0.15 0.00 -0.41 0.00 0.00 54.97 55.21 1abb s GLU 672 Cb 0.07 -2.45 -0.21 0.00 -1.78 0.00 0.00 34.13 29.76 1abb s GLU 672 CO 0.79 0.17 0.62 0.00 -0.49 0.00 0.00 175.26 176.36 1abb n ALA 673 N -0.34 1.66 -2.00 5.21 0.00 -1.26 -4.11 120.51 119.68 1abb n ALA 673 Ca 0.03 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.70 1abb n ALA 673 Cb 0.53 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.19 1abb n ALA 673 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1abb n SER 674 N -2.94 0.00 0.00 0.00 2.88 -1.26 -4.21 113.62 108.10 1abb n SER 674 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 1abb n SER 674 Cb 0.99 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.45 1abb n SER 674 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1abb n GLY 675 N 0.00 1.84 0.10 0.46 0.00 -1.26 -1.19 105.19 105.14 1abb n GLY 675 Ca 0.00 -0.23 -0.15 0.00 0.00 0.00 0.00 46.02 45.64 1abb n GLY 675 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1abb h THR 676 N 0.00 1.39 -0.24 2.61 2.02 -1.99 -3.18 112.91 113.51 1abb h THR 676 Ca 0.00 -2.99 0.07 0.00 0.77 0.00 0.00 66.41 64.26 1abb h THR 676 Cb 0.00 2.87 -0.01 0.00 -1.74 0.00 0.00 68.15 69.27 1abb h THR 676 CO 0.00 0.86 0.25 1.23 0.37 0.00 0.00 175.52 178.23 1abb h GLY 677 N 1.76 0.00 0.52 2.16 0.00 -1.97 -2.41 103.07 103.13 1abb h GLY 677 Ca -0.16 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.17 1abb h GLY 677 CO 0.18 0.00 -0.36 3.43 0.00 0.00 0.00 176.54 179.79 1abb h ASN 678 N 0.00 -1.01 -0.53 0.19 4.21 -1.95 -1.36 115.58 115.14 1abb h ASN 678 Ca 0.11 0.10 -0.04 0.00 1.21 0.00 0.00 56.30 57.68 1abb h ASN 678 Cb 0.61 0.36 -0.03 0.00 -1.12 0.00 0.00 38.32 38.14 1abb h ASN 678 CO -0.00 -0.48 0.20 0.24 -1.29 0.00 0.00 177.43 176.10 1abb h MET 679 N -0.68 0.85 -0.59 0.81 2.86 -1.56 -2.52 114.93 114.09 1abb h MET 679 Ca -0.00 -0.15 -0.06 0.00 -2.06 0.00 0.00 59.70 57.43 1abb h MET 679 Cb 0.65 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.14 1abb h MET 679 CO -0.12 0.72 0.12 0.87 1.06 0.00 0.00 176.91 179.56 1abb h LYS 680 N 0.83 0.94 -0.48 1.72 1.57 -1.01 -2.42 116.57 117.72 1abb h LYS 680 Ca 0.19 -0.22 -0.09 0.00 -1.87 0.00 0.00 60.65 58.67 1abb h LYS 680 Cb 0.21 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1abb h LYS 680 CO -0.01 0.86 -0.04 0.74 -0.57 0.00 0.00 179.45 180.43 1abb h PHE 681 N 0.90 0.96 0.09 -1.35 0.04 -1.02 -3.22 116.94 113.33 1abb h PHE 681 Ca 0.19 -0.18 0.02 0.00 2.80 0.00 0.00 57.97 60.80 1abb h PHE 681 Cb 0.36 -0.24 -0.04 0.00 2.20 0.00 0.00 35.95 38.23 1abb h PHE 681 CO 0.02 0.92 -0.26 1.98 -0.60 0.00 0.00 178.31 180.38 1abb h MET 682 N 0.72 -0.43 -0.14 1.51 4.05 -1.02 -2.17 114.93 117.45 1abb h MET 682 Ca 0.13 0.03 0.04 0.00 -0.28 0.00 0.00 59.70 59.62 1abb h MET 682 Cb 0.56 0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.46 1abb h MET 682 CO 0.03 -0.29 0.58 -0.07 0.23 0.00 0.00 176.91 177.40 1abb h LEU 683 N -0.45 0.00 -3.06 3.39 3.38 -1.55 -0.99 115.31 116.03 1abb h LEU 683 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1abb h LEU 683 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1abb h LEU 683 CO -0.17 0.00 0.00 0.59 0.09 0.00 0.00 178.44 178.95 1abb n ASN 684 N -2.95 2.92 -2.32 -0.43 3.02 -0.83 -4.90 115.26 109.76 1abb n ASN 684 Ca 0.02 -2.62 -0.03 0.00 -0.03 0.00 0.00 54.58 51.91 1abb n ASN 684 Cb 0.66 -0.34 0.02 0.00 -0.61 0.00 0.00 39.78 39.50 1abb n ASN 684 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1abb n GLY 685 N -0.53 -0.49 2.86 7.41 0.00 -0.38 -4.93 105.19 109.15 1abb n GLY 685 Ca 0.14 0.14 -0.16 0.00 0.00 0.00 0.00 46.02 46.14 1abb n GLY 685 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1abb s ALA 686 N -3.09 0.34 0.26 4.61 0.00 -1.15 -4.79 121.76 117.94 1abb s ALA 686 Ca 0.10 0.04 -0.19 0.00 0.00 0.00 0.00 51.96 51.91 1abb s ALA 686 Cb -0.01 -0.24 -0.09 0.00 0.00 0.00 0.00 23.12 22.78 1abb s ALA 686 CO 0.37 -0.01 0.75 -0.51 0.00 0.00 0.00 175.76 176.36 1abb s LEU 687 N 0.61 4.27 -0.33 0.00 1.43 -0.66 -4.23 118.68 119.76 1abb s LEU 687 Ca -0.06 1.43 -0.12 0.00 -1.03 0.00 0.00 54.13 54.35 1abb s LEU 687 Cb -0.09 -3.75 -0.01 0.00 0.03 0.00 0.00 46.19 42.37 1abb s LEU 687 CO -0.01 -0.04 0.21 -0.89 0.23 0.00 0.00 176.35 175.86 1abb s THR 688 N -1.64 5.03 0.16 5.49 2.01 -1.26 -1.14 115.64 124.29 1abb s THR 688 Ca 0.46 -0.31 -0.23 0.00 0.31 0.00 0.00 61.69 61.92 1abb s THR 688 Cb -0.15 -3.59 -0.08 0.00 0.01 0.00 0.00 72.50 68.69 1abb s THR 688 CO 0.20 0.00 0.73 -0.51 -0.69 0.00 0.00 174.62 174.35 1abb s ILE 689 N 1.68 4.47 -0.29 1.82 2.07 -1.16 0.32 121.20 130.11 1abb s ILE 689 Ca 0.05 1.54 -0.31 0.00 -1.41 0.00 0.00 60.65 60.52 1abb s ILE 689 Cb -0.17 -4.04 0.19 0.00 0.13 0.00 0.00 42.46 38.56 1abb s ILE 689 CO 0.09 0.48 1.38 -0.83 -1.91 0.00 0.00 174.94 174.14 1abb s GLY 690 N -1.22 0.03 0.77 1.50 0.00 0.12 -3.12 107.32 105.40 1abb s GLY 690 Ca 0.36 2.64 -0.13 0.00 0.00 0.00 0.00 44.72 47.58 1abb s GLY 690 CO 0.24 1.00 1.04 -1.30 0.00 0.00 0.00 173.10 174.08 1abb n THR 691 N 0.38 0.00 -3.16 0.90 -2.24 -1.25 -2.81 114.28 106.10 1abb n THR 691 Ca 0.02 -0.76 -0.44 0.00 -2.27 0.00 0.00 64.05 60.59 1abb n THR 691 Cb 0.58 -1.61 0.00 0.00 -2.10 0.00 0.00 70.33 67.20 1abb n THR 691 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 1abb n MET 692 N -3.21 4.00 -3.90 -0.78 1.56 -1.26 -4.75 117.12 108.77 1abb n MET 692 Ca 0.13 -4.49 -0.09 0.00 -0.27 0.00 0.00 57.70 52.98 1abb n MET 692 Cb 0.45 -2.54 -0.08 0.00 2.15 0.00 0.00 33.22 33.20 1abb n MET 692 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 1abb s ASP 693 N -0.18 0.17 1.03 6.12 2.15 -1.26 -4.69 116.67 120.00 1abb s ASP 693 Ca 0.31 -0.64 0.00 0.00 0.43 0.00 0.00 52.55 52.66 1abb s ASP 693 Cb -0.02 0.29 0.00 0.00 -0.30 0.00 0.00 42.92 42.89 1abb s ASP 693 CO 0.01 -0.64 0.00 0.61 -0.17 0.00 0.00 175.17 174.98 1abb n GLY 694 N 0.24 2.88 0.27 2.66 0.00 -1.26 -0.80 105.19 109.18 1abb n GLY 694 Ca -0.16 -0.18 0.16 0.00 0.00 0.00 0.00 46.02 45.84 1abb n GLY 694 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1abb h ALA 695 N -0.65 1.02 -0.42 4.61 0.00 -1.41 -2.67 119.26 119.74 1abb h ALA 695 Ca 0.00 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.94 1abb h ALA 695 Cb 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1abb h ALA 695 CO 0.00 0.06 0.28 -0.91 0.00 0.00 0.00 179.25 178.69 1abb h ASN 696 N 0.00 0.21 0.42 0.00 2.35 -1.23 -2.98 115.58 114.35 1abb h ASN 696 Ca -0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1abb h ASN 696 Cb 0.54 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.87 1abb h ASN 696 CO 0.01 0.13 -0.20 0.58 -1.65 0.00 0.00 177.43 176.29 1abb h VAL 697 N 0.23 0.59 0.00 2.81 2.07 -1.48 0.84 116.25 121.31 1abb h VAL 697 Ca 0.19 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.64 1abb h VAL 697 Cb 0.45 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1abb h VAL 697 CO -0.04 0.01 -0.13 -0.33 0.02 0.00 0.00 177.57 177.10 1abb h GLU 698 N -0.59 0.00 0.08 1.57 5.08 -1.74 0.16 114.58 119.14 1abb h GLU 698 Ca -0.06 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.05 1abb h GLU 698 Cb 0.45 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1abb h GLU 698 CO 0.10 0.13 -1.19 0.52 -1.00 0.00 0.00 179.01 177.57 1abb h MET 699 N 0.00 0.17 -0.11 2.33 2.86 -1.46 0.45 114.93 119.17 1abb h MET 699 Ca -0.00 -0.30 -0.01 0.00 -2.06 0.00 0.00 59.70 57.33 1abb h MET 699 Cb 0.79 0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.56 1abb h MET 699 CO 0.02 1.13 0.04 0.00 1.06 0.00 0.00 176.91 179.15 1abb h ALA 700 N 0.72 0.14 -0.87 6.32 0.00 -0.29 -1.48 119.26 123.81 1abb h ALA 700 Ca -0.10 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.79 1abb h ALA 700 Cb 1.91 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.60 1abb h ALA 700 CO 0.17 -0.27 0.57 1.49 0.00 0.00 0.00 179.25 181.21 1abb h GLU 701 N 0.01 0.87 0.09 0.00 4.81 -0.90 0.39 114.58 119.85 1abb h GLU 701 Ca 0.03 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1abb h GLU 701 Cb 0.18 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1abb h GLU 701 CO -0.00 0.58 -0.04 0.93 -0.73 0.00 0.00 179.01 179.74 1abb h GLU 702 N 0.90 -0.12 0.00 1.92 4.39 -0.60 -3.35 114.58 117.72 1abb h GLU 702 Ca 0.40 0.01 -0.06 0.00 0.34 0.00 0.00 59.36 60.05 1abb h GLU 702 Cb 0.35 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1abb h GLU 702 CO -0.16 0.37 -0.26 0.00 -1.16 0.00 0.00 179.01 177.80 1abb h ALA 703 N 0.10 0.97 0.00 3.43 0.00 -1.02 -3.47 119.26 119.27 1abb h ALA 703 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1abb h ALA 703 Cb 0.54 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1abb h ALA 703 CO 0.02 0.33 0.00 0.41 0.00 0.00 0.00 179.25 180.01 1abb n GLY 704 N 0.33 -1.81 0.40 0.00 0.00 0.14 -4.41 105.19 99.84 1abb n GLY 704 Ca 0.00 -1.12 0.20 0.00 0.00 0.00 0.00 46.02 45.11 1abb n GLY 704 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1abb h GLU 705 N 0.00 0.39 -0.07 1.61 4.22 -1.88 0.77 114.58 119.62 1abb h GLU 705 Ca 0.00 -0.02 0.02 0.00 0.08 0.00 0.00 59.36 59.44 1abb h GLU 705 Cb 0.00 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 1abb h GLU 705 CO 0.00 0.26 0.06 0.93 -2.18 0.00 0.00 179.01 178.08 1abb h GLU 706 N 0.40 0.00 -0.35 1.92 3.07 -1.92 -2.38 114.58 115.32 1abb h GLU 706 Ca 0.50 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.36 1abb h GLU 706 Cb 1.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 1abb h GLU 706 CO -0.20 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.50 1abb n ASN 707 N -4.05 3.42 -4.61 1.42 3.02 0.27 -4.95 115.26 109.77 1abb n ASN 707 Ca -0.01 -1.99 -0.34 0.00 -0.03 0.00 0.00 54.58 52.20 1abb n ASN 707 Cb 0.16 -0.23 -0.10 0.00 -0.61 0.00 0.00 39.78 39.00 1abb n ASN 707 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1abb s PHE 708 N -1.55 3.09 -1.20 3.10 0.08 -0.90 -4.70 117.98 115.90 1abb s PHE 708 Ca 0.38 0.02 -0.08 0.00 0.12 0.00 0.00 56.93 57.37 1abb s PHE 708 Cb 0.23 -1.84 0.22 0.00 -0.57 0.00 0.00 43.02 41.05 1abb s PHE 708 CO 0.32 0.28 1.65 1.19 -0.10 0.00 0.00 175.22 178.57 1abb n PHE 709 N 2.64 3.19 -0.80 0.36 3.01 0.15 -4.94 117.46 121.07 1abb n PHE 709 Ca -0.18 -2.89 -0.30 0.00 1.01 0.00 0.00 57.45 55.09 1abb n PHE 709 Cb 0.53 -1.77 0.17 0.00 -0.01 0.00 0.00 39.48 38.40 1abb n PHE 709 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1abb s ILE 710 N -0.46 2.30 0.00 4.37 -1.09 -1.25 -0.70 121.20 124.36 1abb s ILE 710 Ca 0.37 0.10 0.00 0.00 -2.23 0.00 0.00 60.65 58.89 1abb s ILE 710 Cb 0.05 -2.25 0.00 0.00 -1.58 0.00 0.00 42.46 38.68 1abb s ILE 710 CO 0.03 -0.13 0.00 2.22 -1.23 0.00 0.00 174.94 175.83 1abb n PHE 711 N -4.26 0.00 -0.83 3.97 -1.74 -1.12 -4.73 117.46 108.74 1abb n PHE 711 Ca 0.09 0.00 0.11 0.00 -0.56 0.00 0.00 57.45 57.08 1abb n PHE 711 Cb 0.53 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 41.49 1abb n PHE 711 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1abb n GLY 712 N -0.16 -2.40 3.66 4.97 0.00 -1.26 -4.44 105.19 105.55 1abb n GLY 712 Ca 0.00 -1.27 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 1abb n GLY 712 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1abb s MET 713 N -2.80 4.11 1.26 1.61 -1.94 -1.26 -4.83 119.30 115.45 1abb s MET 713 Ca 0.00 2.16 -0.19 0.00 -1.71 0.00 0.00 55.69 55.95 1abb s MET 713 Cb 0.00 -4.01 0.31 0.00 2.01 0.00 0.00 34.83 33.14 1abb s MET 713 CO 0.00 -0.93 1.02 0.50 -0.01 0.00 0.00 175.02 175.60 1abb s ARG 714 N 4.19 -1.68 0.31 2.03 6.06 -1.26 -4.34 118.95 124.26 1abb s ARG 714 Ca 0.75 0.23 0.10 0.00 -2.50 0.00 0.00 55.73 54.31 1abb s ARG 714 Cb -0.33 -1.52 0.51 0.00 0.06 0.00 0.00 34.95 33.68 1abb s ARG 714 CO 0.30 -4.08 1.71 0.28 -2.50 0.00 0.00 175.30 171.02 1abb h VAL 715 N -2.85 1.34 0.08 7.11 2.07 -1.86 -2.75 116.25 119.39 1abb h VAL 715 Ca -0.49 -1.65 0.02 0.00 0.82 0.00 0.00 66.70 65.40 1abb h VAL 715 Cb 1.32 1.86 -0.04 0.00 -1.52 0.00 0.00 31.29 32.91 1abb h VAL 715 CO 0.38 0.48 -0.33 -0.08 0.02 0.00 0.00 177.57 178.04 1abb h GLU 716 N 0.05 -0.51 -0.10 1.57 4.22 -1.95 -2.35 114.58 115.51 1abb h GLU 716 Ca -0.00 0.03 0.03 0.00 0.08 0.00 0.00 59.36 59.50 1abb h GLU 716 Cb 0.87 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 1abb h GLU 716 CO 0.07 -0.34 0.07 -0.44 -2.18 0.00 0.00 179.01 176.19 1abb h ASP 717 N -0.53 0.00 0.38 1.04 5.19 -1.82 -1.59 116.42 119.09 1abb h ASP 717 Ca 0.04 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.43 1abb h ASP 717 Cb 0.58 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.09 1abb h ASP 717 CO -0.22 0.00 -0.18 0.58 -3.12 0.00 0.00 179.24 176.30 1abb h VAL 718 N 0.00 0.00 -1.00 -1.35 2.07 -1.26 -0.98 116.25 113.72 1abb h VAL 718 Ca 0.05 -0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.81 1abb h VAL 718 Cb 0.19 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.87 1abb h VAL 718 CO -0.00 0.00 0.65 0.44 0.02 0.00 0.00 177.57 178.68 1abb h ASP 719 N -0.51 0.46 -0.37 0.57 3.32 -1.08 0.82 116.42 119.63 1abb h ASP 719 Ca -0.05 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1abb h ASP 719 Cb 0.39 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 1abb h ASP 719 CO 0.09 0.12 0.18 0.03 -1.72 0.00 0.00 179.24 177.94 1abb h ARG 720 N 0.43 0.54 0.00 3.56 2.47 -1.17 0.20 114.38 120.41 1abb h ARG 720 Ca 0.56 -0.08 -0.06 0.00 -1.26 0.00 0.00 59.98 59.14 1abb h ARG 720 Cb 1.37 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 29.58 1abb h ARG 720 CO -0.27 0.48 -0.31 1.25 0.56 0.00 0.00 179.97 181.68 1abb h LEU 721 N 0.47 0.00 -0.01 3.04 5.85 0.20 -2.00 115.31 122.86 1abb h LEU 721 Ca 0.13 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.69 1abb h LEU 721 Cb 0.12 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.16 1abb h LEU 721 CO -0.02 0.31 -0.63 0.44 -0.34 0.00 0.00 178.44 178.20 1abb h ASP 722 N 0.00 0.57 -0.47 1.25 3.32 -1.00 0.13 116.42 120.22 1abb h ASP 722 Ca -0.00 -0.75 0.07 0.00 0.02 0.00 0.00 57.03 56.37 1abb h ASP 722 Cb 0.67 -0.17 -0.09 0.00 0.22 0.00 0.00 39.33 39.95 1abb h ASP 722 CO 0.04 1.25 -0.46 -0.61 -1.72 0.00 0.00 179.24 177.73 1abb h GLN 723 N -0.05 -0.30 0.00 3.56 4.15 -0.27 -0.79 115.11 121.41 1abb h GLN 723 Ca -0.08 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.36 1abb h GLN 723 Cb 1.34 0.07 0.00 0.00 0.21 0.00 0.00 27.48 29.09 1abb h GLN 723 CO 0.13 -0.20 -0.78 0.07 -1.93 0.00 0.00 178.83 176.11 1abb h ARG 724 N -0.31 0.00 0.00 1.69 -0.00 -1.47 -3.49 114.38 110.80 1abb h ARG 724 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.12 1abb h ARG 724 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.55 1abb h ARG 724 CO -0.62 0.00 0.00 0.41 -0.00 0.00 0.00 179.97 179.76 1abb n GLY 725 N 1.21 1.39 3.62 0.08 0.00 0.35 -4.99 105.19 106.84 1abb n GLY 725 Ca 0.01 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.44 1abb n GLY 725 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1abb s TYR 726 N 0.00 2.39 -0.77 1.61 5.04 -0.50 -4.89 117.35 120.24 1abb s TYR 726 Ca 0.00 0.71 0.03 0.00 -2.44 0.00 0.00 57.07 55.37 1abb s TYR 726 Cb 0.00 -4.07 0.27 0.00 0.35 0.00 0.00 41.96 38.51 1abb s TYR 726 CO 0.00 -2.17 0.97 -1.71 -1.34 0.00 0.00 175.55 171.29 1abb n ASN 727 N 8.39 4.56 -0.34 4.32 4.05 -1.26 -4.98 115.26 130.00 1abb n ASN 727 Ca 0.17 -3.44 0.26 0.00 0.45 0.00 0.00 54.58 52.01 1abb n ASN 727 Cb 0.47 -0.85 0.39 0.00 1.23 0.00 0.00 39.78 41.03 1abb n ASN 727 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1abb n ALA 728 N 0.98 0.91 -0.30 5.20 0.00 -1.26 -1.73 120.51 124.31 1abb n ALA 728 Ca 0.29 0.31 0.00 0.00 0.00 0.00 0.00 53.44 54.04 1abb n ALA 728 Cb 0.39 -0.55 0.19 0.00 0.00 0.00 0.00 19.45 19.48 1abb n ALA 728 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1abb h GLN 729 N 0.00 1.13 -0.64 0.00 5.75 -1.94 -2.66 115.11 116.75 1abb h GLN 729 Ca 0.45 -0.07 0.11 0.00 -0.15 0.00 0.00 58.65 59.00 1abb h GLN 729 Cb 1.82 -0.26 -0.08 0.00 1.07 0.00 0.00 27.48 30.03 1abb h GLN 729 CO -0.00 0.75 0.20 1.05 -2.65 0.00 0.00 178.83 178.17 1abb h GLU 730 N 1.16 0.34 -0.17 1.69 4.11 -1.76 0.48 114.58 120.43 1abb h GLU 730 Ca 0.34 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 59.74 1abb h GLU 730 Cb -0.08 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1abb h GLU 730 CO -0.08 0.22 0.10 1.88 0.07 0.00 0.00 179.01 181.20 1abb h TYR 731 N 0.35 0.23 -0.86 2.06 0.05 -1.70 -1.20 116.97 115.89 1abb h TYR 731 Ca 0.34 -0.00 0.20 0.00 0.05 0.00 0.00 58.73 59.31 1abb h TYR 731 Cb 0.48 -0.07 -0.12 0.00 1.01 0.00 0.00 36.73 38.04 1abb h TYR 731 CO -0.20 0.20 0.38 -0.92 -1.05 0.00 0.00 178.16 176.56 1abb h TYR 732 N 0.19 0.63 0.00 4.88 5.03 -0.84 -0.33 116.97 126.54 1abb h TYR 732 Ca 0.06 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.41 1abb h TYR 732 Cb 0.04 -0.14 0.00 0.00 1.55 0.00 0.00 36.73 38.18 1abb h TYR 732 CO -0.05 0.00 -0.24 -0.25 -1.32 0.00 0.00 178.16 176.30 1abb n ASP 733 N -5.02 0.53 -0.08 -2.11 8.00 -0.01 -3.83 116.55 114.03 1abb n ASP 733 Ca 0.20 0.31 -0.12 0.00 0.71 0.00 0.00 54.79 55.89 1abb n ASP 733 Cb 0.58 -0.31 -0.06 0.00 -0.02 0.00 0.00 41.12 41.31 1abb n ASP 733 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1abb h ARG 734 N 0.00 0.00 -6.05 -1.24 3.08 0.07 -3.47 114.38 106.77 1abb h ARG 734 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 1abb h ARG 734 Cb 0.64 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.63 1abb h ARG 734 CO 0.00 0.45 0.76 0.42 -1.07 0.00 0.00 179.97 180.53 1abb s ILE 735 N -2.24 4.69 0.12 2.04 1.01 -0.28 -4.92 121.20 121.61 1abb s ILE 735 Ca -0.20 1.94 0.16 0.00 0.00 0.00 0.00 60.65 62.56 1abb s ILE 735 Cb 0.03 -4.29 0.07 0.00 0.01 0.00 0.00 42.46 38.28 1abb s ILE 735 CO 0.38 -0.18 1.62 -0.65 0.00 0.00 0.00 174.94 176.11 1abb h PRO 736 N 7.52 0.00 0.10 2.79 0.11 -1.90 -1.72 132.00 138.90 1abb h PRO 736 Ca -0.20 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.91 1abb h PRO 736 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1abb h PRO 736 CO 0.97 0.49 -0.05 0.93 -0.21 0.00 0.00 178.00 180.13 1abb h GLU 737 N 0.00 -0.12 -0.80 1.05 3.07 -1.94 -2.80 114.58 113.04 1abb h GLU 737 Ca -0.00 0.01 0.14 0.00 -0.50 0.00 0.00 59.36 59.00 1abb h GLU 737 Cb 1.09 0.03 -0.09 0.00 -0.84 0.00 0.00 28.75 28.94 1abb h GLU 737 CO 0.06 0.38 0.37 1.25 -1.40 0.00 0.00 179.01 179.68 1abb h LEU 738 N -0.74 0.42 -1.65 1.33 5.85 -1.91 0.22 115.31 118.83 1abb h LEU 738 Ca -0.01 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 1abb h LEU 738 Cb 0.56 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 1abb h LEU 738 CO 0.02 0.17 -0.17 -0.09 -0.34 0.00 0.00 178.44 178.04 1abb h ARG 739 N 0.54 0.01 0.10 1.25 2.43 -1.34 -2.86 114.38 114.52 1abb h ARG 739 Ca 0.43 -0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.46 1abb h ARG 739 Cb 0.62 -0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.19 1abb h ARG 739 CO -0.37 0.18 -0.62 0.37 -1.51 0.00 0.00 179.97 178.01 1abb h GLN 740 N 0.01 0.24 -0.03 0.20 4.15 -0.36 -3.05 115.11 116.27 1abb h GLN 740 Ca 0.00 -0.39 -0.10 0.00 0.77 0.00 0.00 58.65 58.92 1abb h GLN 740 Cb 0.30 0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.13 1abb h GLN 740 CO 0.02 1.18 -0.46 -0.84 -1.93 0.00 0.00 178.83 176.81 1abb h ILE 741 N -0.49 1.33 0.73 2.39 3.07 -0.92 -1.38 117.51 122.24 1abb h ILE 741 Ca -0.11 -1.59 -0.04 0.00 1.55 0.00 0.00 64.86 64.68 1abb h ILE 741 Cb 1.48 1.82 0.01 0.00 -0.27 0.00 0.00 36.82 39.85 1abb h ILE 741 CO 0.12 0.46 -0.35 0.40 -1.05 0.00 0.00 178.15 177.73 1abb h ILE 742 N 0.06 0.28 -0.06 0.16 1.08 -1.65 -1.70 117.51 115.68 1abb h ILE 742 Ca 0.00 -0.02 0.02 0.00 -0.39 0.00 0.00 64.86 64.47 1abb h ILE 742 Cb 0.83 0.28 -0.00 0.00 -3.07 0.00 0.00 36.82 34.86 1abb h ILE 742 CO 0.06 0.00 0.09 -0.33 -0.69 0.00 0.00 178.15 177.28 1abb h GLU 743 N -1.00 0.00 -0.20 2.37 4.39 -1.28 -1.37 114.58 117.49 1abb h GLU 743 Ca -0.10 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.43 1abb h GLU 743 Cb 0.76 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.41 1abb h GLU 743 CO 0.16 0.00 -0.54 1.96 -1.16 0.00 0.00 179.01 179.43 1abb h GLN 744 N 0.00 0.73 0.81 2.33 4.20 -0.79 -1.72 115.11 120.67 1abb h GLN 744 Ca 0.03 -0.51 -0.04 0.00 0.06 0.00 0.00 58.65 58.19 1abb h GLN 744 Cb 0.21 0.08 0.01 0.00 0.30 0.00 0.00 27.48 28.07 1abb h GLN 744 CO -0.00 1.13 -0.39 -0.07 -0.67 0.00 0.00 178.83 178.83 1abb h LEU 745 N 0.44 -0.93 -0.85 1.46 3.38 -0.37 -1.08 115.31 117.36 1abb h LEU 745 Ca -0.01 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.07 1abb h LEU 745 Cb 1.16 0.24 -0.07 0.00 0.09 0.00 0.00 40.66 42.08 1abb h LEU 745 CO 0.12 -0.61 0.50 0.28 0.09 0.00 0.00 178.44 178.82 1abb h SER 746 N -1.20 0.73 1.07 -0.43 0.02 -1.34 -2.29 113.55 110.11 1abb h SER 746 Ca -0.11 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1abb h SER 746 Cb 0.85 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.29 1abb h SER 746 CO 0.18 0.42 0.00 0.77 -1.14 0.00 0.00 176.83 177.06 1abb h SER 747 N 0.84 0.00 0.00 3.07 4.64 -1.39 -3.42 113.55 117.29 1abb h SER 747 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1abb h SER 747 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1abb h SER 747 CO -0.24 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.33 1abb n GLY 748 N 0.45 1.04 0.36 -0.77 0.00 -0.86 -4.86 105.19 100.56 1abb n GLY 748 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.13 1abb n GLY 748 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1abb h PHE 749 N 0.00 1.09 0.00 1.61 3.57 -1.37 0.43 116.94 122.27 1abb h PHE 749 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1abb h PHE 749 Cb 0.00 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.40 1abb h PHE 749 CO 0.00 0.41 -0.44 0.74 -2.23 0.00 0.00 178.31 176.79 1abb h PHE 750 N 0.93 0.00 -1.09 0.41 0.04 -1.83 -3.42 116.94 111.97 1abb h PHE 750 Ca 0.50 0.00 -0.46 0.00 2.80 0.00 0.00 57.97 60.81 1abb h PHE 750 Cb 0.56 0.00 -0.41 0.00 2.20 0.00 0.00 35.95 38.30 1abb h PHE 750 CO -0.00 0.00 -0.95 -1.13 -0.60 0.00 0.00 178.31 175.62 1abb n SER 751 N -2.24 3.22 0.28 2.17 3.41 0.14 -4.84 113.62 115.77 1abb n SER 751 Ca 0.04 -3.16 0.19 0.00 -0.26 0.00 0.00 58.87 55.68 1abb n SER 751 Cb 0.45 -0.47 1.02 0.00 -0.26 0.00 0.00 64.21 64.95 1abb n SER 751 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1abb h PRO 752 N 2.67 0.00 -0.00 4.33 0.13 -1.69 0.13 132.00 137.56 1abb h PRO 752 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1abb h PRO 752 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1abb h PRO 752 CO 0.63 0.00 -0.47 1.63 -0.23 0.00 0.00 178.00 179.56 1abb n LYS 753 N -2.83 0.47 -3.08 0.86 4.01 -1.26 -4.53 118.16 111.80 1abb n LYS 753 Ca -0.02 -0.31 -0.11 0.00 -0.51 0.00 0.00 58.31 57.35 1abb n LYS 753 Cb 0.07 -1.49 -0.03 0.00 -0.51 0.00 0.00 35.03 33.06 1abb n LYS 753 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 1abb s GLN 754 N -2.74 0.92 0.11 1.97 -0.21 0.43 -5.04 119.66 115.09 1abb s GLN 754 Ca 0.17 -1.16 -0.25 0.00 0.02 0.00 0.00 55.36 54.13 1abb s GLN 754 Cb 0.18 -0.47 -0.08 0.00 1.00 0.00 0.00 33.01 33.65 1abb s GLN 754 CO 0.64 -1.30 1.42 -1.35 -2.12 0.00 0.00 175.29 172.58 1abb h PRO 755 N 5.80 -0.23 0.00 2.91 0.11 -1.74 -1.65 132.00 137.19 1abb h PRO 755 Ca 0.11 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1abb h PRO 755 Cb 1.06 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1abb h PRO 755 CO 0.14 -0.15 0.14 -0.40 -0.21 0.00 0.00 178.00 177.51 1abb n ASP 756 N -4.75 0.00 0.14 -2.05 5.68 -1.26 -3.91 116.55 110.39 1abb n ASP 756 Ca -0.02 0.15 -0.14 0.00 -0.50 0.00 0.00 54.79 54.28 1abb n ASP 756 Cb 0.25 -0.15 -0.08 0.00 -1.14 0.00 0.00 41.12 40.00 1abb n ASP 756 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1abb h LEU 757 N 0.00 -1.29 -1.20 -2.12 5.85 -1.63 -2.58 115.31 112.33 1abb h LEU 757 Ca 0.00 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1abb h LEU 757 Cb 0.27 0.46 -0.00 0.00 0.37 0.00 0.00 40.66 41.76 1abb h LEU 757 CO 0.00 -0.50 0.00 0.49 -0.34 0.00 0.00 178.44 178.09 1abb n PHE 758 N -4.99 0.04 -0.35 1.25 3.72 -1.25 -3.95 117.46 111.92 1abb n PHE 758 Ca -0.08 -0.09 0.09 0.00 -0.05 0.00 0.00 57.45 57.32 1abb n PHE 758 Cb 0.36 -0.13 0.27 0.00 -0.94 0.00 0.00 39.48 39.04 1abb n PHE 758 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1abb h LYS 759 N 0.07 0.86 -0.00 -1.08 1.79 -1.74 0.11 116.57 116.57 1abb h LYS 759 Ca 0.00 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1abb h LYS 759 Cb 0.61 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 1abb h LYS 759 CO 0.01 0.57 -0.18 -0.40 -1.08 0.00 0.00 179.45 178.37 1abb n ASP 760 N -4.69 0.57 -0.03 0.86 5.68 -1.25 -2.64 116.55 115.04 1abb n ASP 760 Ca 0.20 -0.52 -0.21 0.00 -0.50 0.00 0.00 54.79 53.76 1abb n ASP 760 Cb 0.44 -0.02 -0.13 0.00 -1.14 0.00 0.00 41.12 40.27 1abb n ASP 760 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 1abb h ILE 761 N 0.61 0.89 -0.72 2.12 2.04 -1.32 -3.18 117.51 117.95 1abb h ILE 761 Ca 0.00 -2.31 0.06 0.00 1.00 0.00 0.00 64.86 63.61 1abb h ILE 761 Cb 0.42 2.50 -0.06 0.00 -0.74 0.00 0.00 36.82 38.95 1abb h ILE 761 CO 0.00 0.63 0.42 0.58 0.00 0.00 0.00 178.15 179.78 1abb h VAL 762 N -0.44 1.00 -0.32 1.67 2.07 -0.91 -2.46 116.25 116.85 1abb h VAL 762 Ca -0.35 -0.27 -0.14 0.00 0.82 0.00 0.00 66.70 66.76 1abb h VAL 762 Cb 1.67 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1abb h VAL 762 CO -0.02 0.14 -0.37 0.78 0.02 0.00 0.00 177.57 178.12 1abb h ASN 763 N 0.78 0.79 0.75 0.57 4.21 -1.65 -1.81 115.58 119.22 1abb h ASN 763 Ca 0.32 -0.34 -0.03 0.00 1.21 0.00 0.00 56.30 57.45 1abb h ASN 763 Cb 0.17 -0.22 -0.00 0.00 -1.12 0.00 0.00 38.32 37.15 1abb h ASN 763 CO -0.17 1.07 -0.44 -0.03 -1.29 0.00 0.00 177.43 176.57 1abb h MET 764 N 0.62 -1.07 0.05 0.81 4.05 -1.47 0.60 114.93 118.52 1abb h MET 764 Ca 0.06 0.07 0.03 0.00 -0.28 0.00 0.00 59.70 59.58 1abb h MET 764 Cb 0.91 0.24 -0.04 0.00 -0.80 0.00 0.00 31.60 31.91 1abb h MET 764 CO 0.08 -0.71 -0.29 1.25 0.23 0.00 0.00 176.91 177.47 1abb h LEU 765 N -1.11 -0.84 -1.65 3.39 5.85 -1.48 0.88 115.31 120.35 1abb h LEU 765 Ca -0.10 0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 1abb h LEU 765 Cb 0.88 0.33 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 1abb h LEU 765 CO 0.11 -0.36 -0.19 0.24 -0.34 0.00 0.00 178.44 177.90 1abb h MET 766 N -0.46 0.00 0.00 1.25 2.86 -1.07 -3.33 114.93 114.18 1abb h MET 766 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1abb h MET 766 Cb 0.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.18 1abb h MET 766 CO -0.22 0.19 -0.41 0.72 1.06 0.00 0.00 176.91 178.25 1abb n HIS 767 N -4.14 0.00 -2.67 -0.22 8.25 0.21 -4.50 115.22 112.15 1abb n HIS 767 Ca -0.02 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.39 1abb n HIS 767 Cb 0.26 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.44 1abb n HIS 767 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1abb n HIS 768 N -0.97 -1.51 -2.14 4.41 -0.00 0.30 -5.00 115.22 110.30 1abb n HIS 768 Ca 0.00 -1.33 -0.37 0.00 -0.00 0.00 0.00 57.72 56.02 1abb n HIS 768 Cb 0.00 1.38 -0.03 0.00 -0.00 0.00 0.00 29.99 31.33 1abb n HIS 768 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 1abb s ASP 769 N -0.75 5.43 0.00 4.39 -1.08 -0.84 -4.81 116.67 119.02 1abb s ASP 769 Ca 0.12 -0.07 0.07 0.00 -0.52 0.00 0.00 52.55 52.15 1abb s ASP 769 Cb 0.26 -2.54 0.29 0.00 -1.46 0.00 0.00 42.92 39.47 1abb s ASP 769 CO -0.06 -2.33 1.20 -1.14 0.52 0.00 0.00 175.17 173.35 1abb n ARG 770 N 9.14 0.01 -0.04 4.34 0.63 -1.26 -2.91 116.66 126.56 1abb n ARG 770 Ca 0.22 0.36 0.03 0.00 -0.92 0.00 0.00 57.85 57.55 1abb n ARG 770 Cb 0.51 -1.50 0.04 0.00 0.45 0.00 0.00 32.46 31.95 1abb n ARG 770 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1abb n PHE 771 N -1.47 0.00 -3.57 -0.14 3.72 -1.26 -5.05 117.46 109.69 1abb n PHE 771 Ca 0.02 -0.57 -0.27 0.00 -0.05 0.00 0.00 57.45 56.58 1abb n PHE 771 Cb 0.08 -0.07 0.05 0.00 -0.94 0.00 0.00 39.48 38.59 1abb n PHE 771 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1abb n LYS 772 N -0.69 -1.47 0.51 -1.08 5.02 -1.15 -4.75 118.16 114.56 1abb n LYS 772 Ca 0.05 0.57 -0.21 0.00 -2.02 0.00 0.00 58.31 56.70 1abb n LYS 772 Cb 0.41 -4.55 -0.10 0.00 -0.02 0.00 0.00 35.03 30.76 1abb n LYS 772 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1abb h VAL 773 N -1.66 0.05 -0.84 -0.18 2.07 -1.95 -3.24 116.25 110.50 1abb h VAL 773 Ca -0.65 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.08 1abb h VAL 773 Cb 1.34 0.05 -0.13 0.00 -1.52 0.00 0.00 31.29 31.04 1abb h VAL 773 CO 0.47 0.00 0.26 -0.26 0.02 0.00 0.00 177.57 178.06 1abb h PHE 774 N -1.30 0.41 -0.67 1.57 0.04 -1.93 -1.76 116.94 113.31 1abb h PHE 774 Ca -0.13 0.05 0.11 0.00 2.80 0.00 0.00 57.97 60.80 1abb h PHE 774 Cb 0.99 -0.05 -0.12 0.00 2.20 0.00 0.00 35.95 38.97 1abb h PHE 774 CO -0.01 -0.12 -0.36 0.00 -0.60 0.00 0.00 178.31 177.22 1abb h ALA 775 N 1.71 -0.04 -0.23 2.45 0.00 -1.95 -1.11 119.26 120.10 1abb h ALA 775 Ca 0.51 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.60 1abb h ALA 775 Cb 0.97 0.85 0.00 0.00 0.00 0.00 0.00 17.79 19.61 1abb h ALA 775 CO -0.57 -0.68 0.00 -0.25 0.00 0.00 0.00 179.25 177.74 1abb n ASP 776 N -5.44 1.63 0.35 0.00 8.00 -0.68 -4.30 116.55 116.12 1abb n ASP 776 Ca 0.05 -1.82 -0.18 0.00 0.71 0.00 0.00 54.79 53.56 1abb n ASP 776 Cb 0.36 -0.15 -0.09 0.00 -0.02 0.00 0.00 41.12 41.23 1abb n ASP 776 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1abb h TYR 777 N 1.99 -0.85 -0.08 1.24 3.20 -1.01 -1.87 116.97 119.59 1abb h TYR 777 Ca 0.00 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.89 1abb h TYR 777 Cb 0.44 0.29 -0.06 0.00 1.54 0.00 0.00 36.73 38.94 1abb h TYR 777 CO 0.15 -0.52 -0.34 1.49 -1.64 0.00 0.00 178.16 177.30 1abb h GLU 778 N -0.88 -0.43 -0.55 1.82 4.57 -1.77 -2.44 114.58 114.89 1abb h GLU 778 Ca -0.08 0.03 -0.11 0.00 -1.18 0.00 0.00 59.36 58.02 1abb h GLU 778 Cb 0.69 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.36 1abb h GLU 778 CO 0.13 -0.29 -0.08 1.49 -1.18 0.00 0.00 179.01 179.08 1abb h GLU 779 N -0.45 1.03 -0.39 1.92 4.81 -1.86 -2.29 114.58 117.35 1abb h GLU 779 Ca 0.08 -0.36 0.08 0.00 -0.13 0.00 0.00 59.36 59.02 1abb h GLU 779 Cb 0.57 -0.07 -0.09 0.00 0.63 0.00 0.00 28.75 29.79 1abb h GLU 779 CO -0.33 1.05 -0.34 -0.92 -0.73 0.00 0.00 179.01 177.74 1abb h TYR 780 N 0.92 -0.95 0.00 0.92 3.20 -0.89 0.88 116.97 121.05 1abb h TYR 780 Ca 0.15 0.06 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 1abb h TYR 780 Cb 0.64 0.47 -0.00 0.00 1.54 0.00 0.00 36.73 39.38 1abb h TYR 780 CO 0.04 -0.39 -0.10 -0.39 -1.64 0.00 0.00 178.16 175.68 1abb h VAL 781 N -0.27 0.19 -0.45 1.81 -1.51 -1.18 -0.69 116.25 114.15 1abb h VAL 781 Ca 0.17 -1.13 -0.02 0.00 -1.23 0.00 0.00 66.70 64.48 1abb h VAL 781 Cb 0.55 1.97 -0.02 0.00 -2.13 0.00 0.00 31.29 31.66 1abb h VAL 781 CO -0.54 0.10 0.21 0.11 -1.23 0.00 0.00 177.57 176.22 1abb h LYS 782 N 0.00 0.65 -0.72 5.19 1.79 -0.68 -1.68 116.57 121.11 1abb h LYS 782 Ca -0.00 -0.10 0.07 0.00 -2.18 0.00 0.00 60.65 58.44 1abb h LYS 782 Cb 0.96 -0.11 -0.06 0.00 -1.58 0.00 0.00 32.23 31.43 1abb h LYS 782 CO 0.01 0.57 0.40 0.00 -1.08 0.00 0.00 179.45 179.35 1abb h GLN 784 N 0.72 1.16 -0.95 0.00 1.08 -0.49 0.23 115.11 116.86 1abb h GLN 784 Ca 0.33 -0.07 0.01 0.00 -1.45 0.00 0.00 58.65 57.48 1abb h GLN 784 Cb 0.25 -0.26 -0.05 0.00 -0.05 0.00 0.00 27.48 27.37 1abb h GLN 784 CO -0.21 0.77 0.63 0.93 -0.95 0.00 0.00 178.83 180.00 1abb h GLU 785 N 1.20 1.24 0.35 1.46 5.08 -0.51 -0.62 114.58 122.78 1abb h GLU 785 Ca 0.37 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.63 1abb h GLU 785 Cb -0.03 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 28.95 1abb h GLU 785 CO -0.10 0.82 -0.17 0.00 -1.00 0.00 0.00 179.01 178.56 1abb h ARG 786 N 1.28 -0.46 -0.84 2.33 3.08 -0.37 -1.65 114.38 117.76 1abb h ARG 786 Ca 0.35 0.03 0.11 0.00 0.07 0.00 0.00 59.98 60.54 1abb h ARG 786 Cb -0.14 0.10 -0.13 0.00 0.08 0.00 0.00 29.97 29.89 1abb h ARG 786 CO -0.08 -0.30 -0.46 0.28 -1.07 0.00 0.00 179.97 178.34 1abb h VAL 787 N -0.48 0.03 0.00 2.04 2.07 -0.64 0.21 116.25 119.47 1abb h VAL 787 Ca -0.05 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.38 1abb h VAL 787 Cb 0.37 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 1abb h VAL 787 CO 0.08 0.00 -0.44 0.28 0.02 0.00 0.00 177.57 177.51 1abb h SER 788 N -0.09 0.00 0.49 0.57 0.02 -0.21 -1.52 113.55 112.81 1abb h SER 788 Ca 0.23 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 1abb h SER 788 Cb 0.53 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1abb h SER 788 CO -0.86 0.44 -0.24 0.00 -1.14 0.00 0.00 176.83 175.03 1abb h ALA 789 N 1.56 -0.66 -0.96 3.77 0.00 -0.37 -0.90 119.26 121.70 1abb h ALA 789 Ca -0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1abb h ALA 789 Cb 0.80 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 1abb h ALA 789 CO 0.06 -0.87 0.59 1.25 0.00 0.00 0.00 179.25 180.27 1abb h LEU 790 N -0.66 1.14 -0.72 0.00 5.85 -1.00 0.24 115.31 120.16 1abb h LEU 790 Ca -0.07 -0.06 0.12 0.00 0.84 0.00 0.00 57.88 58.72 1abb h LEU 790 Cb 0.51 -0.29 -0.09 0.00 0.37 0.00 0.00 40.66 41.17 1abb h LEU 790 CO 0.11 0.86 0.30 0.22 -0.34 0.00 0.00 178.44 179.58 1abb h TYR 791 N 1.31 0.51 -0.61 1.25 3.20 -0.90 -2.35 116.97 119.39 1abb h TYR 791 Ca 0.35 0.03 -0.73 0.00 3.14 0.00 0.00 58.73 61.52 1abb h TYR 791 Cb -0.08 -0.12 -0.09 0.00 1.54 0.00 0.00 36.73 37.98 1abb h TYR 791 CO 0.00 0.10 2.66 1.17 -1.64 0.00 0.00 178.16 180.46 1abb n LYS 792 N -4.97 3.21 0.00 1.82 4.81 0.84 -3.26 118.16 120.60 1abb n LYS 792 Ca 0.13 -3.00 0.00 0.00 -0.87 0.00 0.00 58.31 54.56 1abb n LYS 792 Cb 0.36 -3.12 0.00 0.00 0.02 0.00 0.00 35.03 32.29 1abb n LYS 792 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1abb n ASN 793 N 5.05 0.00 0.00 3.14 2.85 -0.88 -4.92 115.26 120.50 1abb n ASN 793 Ca 0.47 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.94 1abb n ASN 793 Cb 0.37 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.39 1abb n ASN 793 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1abb n PRO 794 N 0.00 0.00 -0.34 1.20 -0.02 -1.20 -1.17 135.00 133.46 1abb n PRO 794 Ca 0.00 0.41 0.19 0.00 -2.02 0.00 0.00 63.50 62.08 1abb n PRO 794 Cb 0.00 -0.66 0.41 0.00 -0.02 0.00 0.00 33.50 33.24 1abb n PRO 794 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1abb h ARG 795 N 0.00 0.50 0.00 -0.52 2.43 -1.93 1.13 114.38 115.99 1abb h ARG 795 Ca 0.00 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.03 1abb h ARG 795 Cb 0.00 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 1abb h ARG 795 CO 0.00 0.33 -0.80 0.93 -1.51 0.00 0.00 179.97 178.92 1abb h GLU 796 N 0.52 0.00 0.46 0.20 4.39 -1.80 -2.91 114.58 115.45 1abb h GLU 796 Ca 0.66 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.34 1abb h GLU 796 Cb 1.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.00 1abb h GLU 796 CO -0.48 0.35 -0.22 2.35 -1.16 0.00 0.00 179.01 179.84 1abb h TRP 797 N 0.00 -0.58 0.00 4.33 7.01 0.26 -2.89 115.95 124.08 1abb h TRP 797 Ca -0.05 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.93 1abb h TRP 797 Cb 1.38 0.19 0.00 0.00 -2.10 0.00 0.00 29.16 28.64 1abb h TRP 797 CO 0.00 -0.36 0.12 2.41 -2.79 0.00 0.00 178.44 177.82 1abb n THR 798 N -4.38 1.46 0.63 2.65 -1.04 0.11 0.15 114.28 113.87 1abb n THR 798 Ca -0.08 0.48 0.09 0.00 -2.04 0.00 0.00 64.05 62.51 1abb n THR 798 Cb 0.25 -1.48 -0.12 0.00 -1.82 0.00 0.00 70.33 67.15 1abb n THR 798 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1abb n ARG 799 N -1.36 0.67 -0.01 -2.82 1.74 -1.10 -3.47 116.66 110.32 1abb n ARG 799 Ca 0.00 -0.05 -0.17 0.00 -0.77 0.00 0.00 57.85 56.86 1abb n ARG 799 Cb 0.12 -1.42 -0.10 0.00 -1.02 0.00 0.00 32.46 30.04 1abb n ARG 799 CO 0.00 0.00 0.00 1.98 -1.52 0.00 0.00 177.63 178.09 1abb h MET 800 N 0.00 0.42 -0.83 5.56 4.05 -0.09 -2.84 114.93 121.20 1abb h MET 800 Ca 0.00 -0.41 0.16 0.00 -0.28 0.00 0.00 59.70 59.17 1abb h MET 800 Cb 0.58 0.11 -0.15 0.00 -0.80 0.00 0.00 31.60 31.33 1abb h MET 800 CO 0.00 1.06 -0.27 0.28 0.23 0.00 0.00 176.91 178.21 1abb h VAL 801 N -0.08 0.12 -0.13 -5.77 2.07 -1.69 0.15 116.25 110.93 1abb h VAL 801 Ca -0.06 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.40 1abb h VAL 801 Cb 1.23 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1abb h VAL 801 CO 0.11 0.00 -0.19 0.40 0.02 0.00 0.00 177.57 177.91 1abb h ILE 802 N -0.03 1.20 -0.00 4.57 2.04 -1.56 0.22 117.51 123.94 1abb h ILE 802 Ca 0.36 -0.90 -0.16 0.00 1.00 0.00 0.00 64.86 65.16 1abb h ILE 802 Cb 0.61 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 1abb h ILE 802 CO -0.86 0.28 -0.77 0.03 0.00 0.00 0.00 178.15 176.83 1abb h ARG 803 N 0.19 0.02 0.49 2.37 3.08 -0.52 -2.15 114.38 117.87 1abb h ARG 803 Ca 0.04 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1abb h ARG 803 Cb 0.45 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1abb h ARG 803 CO 0.03 0.78 -0.24 -0.91 -1.07 0.00 0.00 179.97 178.56 1abb h ASN 804 N 0.01 -0.56 -0.56 7.04 2.35 0.83 -2.75 115.58 121.94 1abb h ASN 804 Ca -0.01 0.02 0.09 0.00 -0.55 0.00 0.00 56.30 55.85 1abb h ASN 804 Cb 1.36 0.14 -0.11 0.00 0.05 0.00 0.00 38.32 39.76 1abb h ASN 804 CO 0.10 -0.16 -0.40 0.40 -1.65 0.00 0.00 177.43 175.72 1abb h ILE 805 N -1.14 0.12 -0.01 2.81 2.04 -1.18 -1.03 117.51 119.12 1abb h ILE 805 Ca -0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1abb h ILE 805 Cb 0.50 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1abb h ILE 805 CO 0.11 0.00 0.09 0.00 0.00 0.00 0.00 178.15 178.35 1abb h ALA 806 N 0.73 1.13 -0.21 1.87 0.00 -1.41 -0.03 119.26 121.34 1abb h ALA 806 Ca 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1abb h ALA 806 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1abb h ALA 806 CO -0.67 -0.09 0.00 2.41 0.00 0.00 0.00 179.25 180.90 1abb n THR 807 N -3.09 0.25 0.23 0.00 -1.04 -0.41 -0.99 114.28 109.23 1abb n THR 807 Ca -0.03 -0.61 0.14 0.00 -2.04 0.00 0.00 64.05 61.51 1abb n THR 807 Cb 0.15 1.20 0.73 0.00 -1.82 0.00 0.00 70.33 70.60 1abb n THR 807 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1abb h SER 808 N 4.51 0.00 -0.98 8.00 0.02 -0.78 -3.37 113.55 120.96 1abb h SER 808 Ca 0.00 0.00 0.17 0.00 -0.84 0.00 0.00 61.79 61.12 1abb h SER 808 Cb 0.97 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.35 1abb h SER 808 CO 0.00 0.00 -0.34 0.61 -1.14 0.00 0.00 176.83 175.96 1abb n GLY 809 N -1.23 -1.89 0.15 -3.77 0.00 -1.26 -0.55 105.19 96.64 1abb n GLY 809 Ca -0.02 1.08 0.09 0.00 0.00 0.00 0.00 46.02 47.17 1abb n GLY 809 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1abb n LYS 810 N -5.49 0.12 -0.65 1.61 4.81 -1.26 -2.85 118.16 114.45 1abb n LYS 810 Ca 0.12 0.61 0.06 0.00 -0.87 0.00 0.00 58.31 58.24 1abb n LYS 810 Cb 0.42 -1.94 0.31 0.00 0.02 0.00 0.00 35.03 33.84 1abb n LYS 810 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1abb n PHE 811 N -2.16 1.42 -3.40 5.64 3.72 0.29 -4.87 117.46 118.10 1abb n PHE 811 Ca -0.01 -0.89 -0.38 0.00 -0.05 0.00 0.00 57.45 56.12 1abb n PHE 811 Cb 0.07 -0.41 -0.06 0.00 -0.94 0.00 0.00 39.48 38.14 1abb n PHE 811 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1abb s SER 812 N -1.55 6.70 0.60 4.37 0.15 -1.13 -1.66 113.70 121.18 1abb s SER 812 Ca 0.47 0.83 0.40 0.00 0.70 0.00 0.00 55.95 58.35 1abb s SER 812 Cb 0.38 -2.26 2.15 0.00 -1.71 0.00 0.00 66.02 64.58 1abb s SER 812 CO 0.11 0.12 2.23 0.77 1.20 0.00 0.00 173.24 177.68 1abb h SER 813 N 6.02 0.00 -0.46 5.45 4.64 -0.35 -2.36 113.55 126.50 1abb h SER 813 Ca -0.45 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 60.94 1abb h SER 813 Cb 1.19 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.25 1abb h SER 813 CO 0.71 0.00 0.31 0.44 -0.87 0.00 0.00 176.83 177.42 1abb h ASP 814 N 0.00 0.31 0.08 4.97 3.32 -1.91 0.27 116.42 123.46 1abb h ASP 814 Ca 0.00 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.78 1abb h ASP 814 Cb 0.04 -0.07 0.03 0.00 0.22 0.00 0.00 39.33 39.55 1abb h ASP 814 CO 0.00 0.20 -1.10 -0.09 -1.72 0.00 0.00 179.24 176.53 1abb h ARG 815 N 0.35 0.61 -0.54 3.56 1.12 -1.78 -0.87 114.38 116.82 1abb h ARG 815 Ca 0.20 -0.76 -0.05 0.00 -1.11 0.00 0.00 59.98 58.26 1abb h ARG 815 Cb 0.35 0.24 -0.02 0.00 -0.01 0.00 0.00 29.97 30.53 1abb h ARG 815 CO -0.05 1.33 0.13 1.15 -3.11 0.00 0.00 179.97 179.42 1abb h THR 816 N 0.23 1.25 -0.12 0.20 2.02 -1.35 -0.34 112.91 114.79 1abb h THR 816 Ca -0.16 -0.88 -0.19 0.00 0.77 0.00 0.00 66.41 65.94 1abb h THR 816 Cb 1.78 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 68.97 1abb h THR 816 CO 0.21 0.32 -0.72 0.40 0.37 0.00 0.00 175.52 176.10 1abb h ILE 817 N 0.76 1.34 -0.93 3.11 1.08 -1.03 -1.07 117.51 120.77 1abb h ILE 817 Ca 0.17 -2.04 0.01 0.00 -0.39 0.00 0.00 64.86 62.62 1abb h ILE 817 Cb 0.35 2.02 -0.05 0.00 -3.07 0.00 0.00 36.82 36.07 1abb h ILE 817 CO 0.00 0.63 0.61 0.00 -0.69 0.00 0.00 178.15 178.70 1abb h ALA 818 N 0.81 1.35 -0.23 1.87 0.00 -0.73 0.28 119.26 122.62 1abb h ALA 818 Ca -0.03 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1abb h ALA 818 Cb 1.31 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1abb h ALA 818 CO 0.13 0.59 -0.18 1.96 0.00 0.00 0.00 179.25 181.75 1abb h GLN 819 N 1.24 0.53 -0.57 0.00 4.20 -0.92 -1.70 115.11 117.88 1abb h GLN 819 Ca 0.35 -0.26 0.09 0.00 0.06 0.00 0.00 58.65 58.88 1abb h GLN 819 Cb -0.11 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.60 1abb h GLN 819 CO -0.08 0.84 0.19 1.88 -0.67 0.00 0.00 178.83 180.98 1abb h TYR 820 N 0.23 0.33 0.23 2.96 0.05 0.10 0.51 116.97 121.37 1abb h TYR 820 Ca 0.04 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.84 1abb h TYR 820 Cb 0.72 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.39 1abb h TYR 820 CO 0.07 0.07 -0.19 0.00 -1.05 0.00 0.00 178.16 177.06 1abb h ALA 821 N 1.41 -0.95 -0.20 3.88 0.00 -0.49 0.17 119.26 123.07 1abb h ALA 821 Ca 0.29 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1abb h ALA 821 Cb 0.36 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1abb h ALA 821 CO -0.31 -0.95 -0.03 0.00 0.00 0.00 0.00 179.25 177.96 1abb h ARG 822 N -0.41 0.38 0.00 0.00 3.08 -1.25 -0.61 114.38 115.57 1abb h ARG 822 Ca -0.03 -0.14 -0.14 0.00 0.07 0.00 0.00 59.98 59.74 1abb h ARG 822 Cb 0.35 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1abb h ARG 822 CO -0.00 0.61 -0.84 0.93 -1.07 0.00 0.00 179.97 179.60 1abb h GLU 823 N 0.12 0.00 0.00 0.04 5.08 -0.95 -3.37 114.58 115.49 1abb h GLU 823 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1abb h GLU 823 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1abb h GLU 823 CO 0.02 0.52 -0.94 -0.89 -1.00 0.00 0.00 179.01 176.72 1abb n ILE 824 N -3.15 0.00 0.03 3.13 5.41 0.37 -4.88 119.36 120.26 1abb n ILE 824 Ca -0.02 0.00 -0.06 0.00 1.00 0.00 0.00 62.75 63.67 1abb n ILE 824 Cb 0.80 -0.67 -0.11 0.00 -0.71 0.00 0.00 39.64 38.94 1abb n ILE 824 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 1abb h TRP 825 N 0.00 0.00 -0.27 1.39 6.55 -0.73 -3.49 115.95 119.40 1abb h TRP 825 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1abb h TRP 825 Cb 0.94 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.24 1abb h TRP 825 CO 0.00 0.92 0.00 0.41 -1.05 0.00 0.00 178.44 178.72 1abb n GLY 826 N 1.42 1.08 3.18 1.49 0.00 -0.27 -4.96 105.19 107.12 1abb n GLY 826 Ca -0.07 -0.38 -0.14 0.00 0.00 0.00 0.00 46.02 45.43 1abb n GLY 826 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1abb s VAL 827 N -2.27 0.94 -0.26 1.61 -7.23 -0.99 -5.00 120.40 107.20 1abb s VAL 827 Ca 0.00 -1.67 -0.22 0.00 -1.81 0.00 0.00 61.98 58.28 1abb s VAL 827 Cb 0.00 -1.40 -0.01 0.00 0.56 0.00 0.00 36.38 35.53 1abb s VAL 827 CO 0.00 -0.58 0.69 -1.61 -0.31 0.00 0.00 175.10 173.29 1abb s GLU 828 N -2.89 4.11 0.83 4.82 0.41 -1.26 -3.50 118.70 121.23 1abb s GLU 828 Ca 0.06 0.65 -0.16 0.00 -0.41 0.00 0.00 54.97 55.11 1abb s GLU 828 Cb -0.02 -3.66 -0.14 0.00 -1.78 0.00 0.00 34.13 28.54 1abb s GLU 828 CO -0.00 -0.46 -0.63 -2.30 -0.49 0.00 0.00 175.26 171.37 1abb n PRO 829 N 5.83 0.00 -3.34 0.39 -0.02 -1.26 -4.98 135.00 131.61 1abb n PRO 829 Ca 0.01 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.52 1abb n PRO 829 Cb 0.48 -0.91 -0.04 0.00 -0.02 0.00 0.00 33.50 33.02 1abb n PRO 829 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1abb s SER 830 N -0.91 -0.55 -0.21 2.55 0.15 -1.26 -5.02 113.70 108.45 1abb s SER 830 Ca 0.39 0.67 0.02 0.00 0.70 0.00 0.00 55.95 57.73 1abb s SER 830 Cb -0.21 1.59 0.30 0.00 -1.71 0.00 0.00 66.02 65.99 1abb s SER 830 CO 0.73 -0.10 1.46 0.54 1.20 0.00 0.00 173.24 177.06 1abb n ARG 831 N 5.03 1.58 -2.51 5.44 1.74 -1.26 -3.15 116.66 123.52 1abb n ARG 831 Ca -0.08 -1.38 -0.41 0.00 -0.77 0.00 0.00 57.85 55.21 1abb n ARG 831 Cb 0.53 -1.54 -0.04 0.00 -1.02 0.00 0.00 32.46 30.39 1abb n ARG 831 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1abb s GLN 832 N -1.52 4.59 -0.42 5.56 0.74 -1.26 -5.00 119.66 122.35 1abb s GLN 832 Ca 0.26 1.72 -0.28 0.00 0.05 0.00 0.00 55.36 57.11 1abb s GLN 832 Cb 0.22 -3.28 0.02 0.00 1.10 0.00 0.00 33.01 31.08 1abb s GLN 832 CO 0.05 0.07 1.08 1.03 -0.55 0.00 0.00 175.29 176.97 1abb s ARG 833 N -0.36 3.81 0.38 1.67 3.00 -1.26 -4.88 118.95 121.31 1abb s ARG 833 Ca 0.49 0.67 -0.27 0.00 0.00 0.00 0.00 55.73 56.63 1abb s ARG 833 Cb -0.29 -3.85 -0.11 0.00 0.00 0.00 0.00 34.95 30.69 1abb s ARG 833 CO 0.35 -1.19 1.24 -0.11 0.00 0.00 0.00 175.30 175.58 1abb n LEU 834 N 7.41 3.56 0.00 2.53 7.94 0.39 -4.92 117.00 133.91 1abb n LEU 834 Ca 0.11 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 56.16 1abb n LEU 834 Cb 0.48 -1.47 0.00 0.00 0.53 0.00 0.00 43.42 42.97 1abb n LEU 834 CO 0.66 -0.70 0.38 -0.81 -1.11 0.00 0.00 177.39 175.82 1abb n PRO 835 N 0.31 0.00 0.00 1.96 -0.04 -1.26 -4.67 135.00 131.30 1abb n PRO 835 Ca 0.06 0.46 0.00 0.00 -0.04 0.00 0.00 63.50 63.98 1abb n PRO 835 Cb 0.38 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 1abb n PRO 835 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1abb n ALA 836 N -1.59 0.00 0.00 0.55 0.00 -1.26 -5.01 120.51 113.19 1abb n ALA 836 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1abb n ALA 836 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1abb n ALA 836 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15