#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c8k n SER 14 N 0.00 0.00 -3.02 4.38 2.88 -1.26 -4.97 113.62 111.63 1c8k n SER 14 Ca 0.00 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.18 1c8k n SER 14 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1c8k n SER 14 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1c8k n VAL 15 N -1.11 4.25 -0.31 2.46 3.14 -1.26 -4.50 118.33 121.00 1c8k n VAL 15 Ca 0.00 -4.25 -0.04 0.00 -2.96 0.00 0.00 64.34 57.09 1c8k n VAL 15 Cb 0.00 -1.52 0.20 0.00 -1.06 0.00 0.00 33.84 31.46 1c8k n VAL 15 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1c8k n ARG 16 N 0.29 2.80 0.00 1.45 1.74 -1.26 -5.01 116.66 116.68 1c8k n ARG 16 Ca 0.52 -1.99 0.00 0.00 -0.77 0.00 0.00 57.85 55.62 1c8k n ARG 16 Cb 0.33 -1.90 0.00 0.00 -1.02 0.00 0.00 32.46 29.88 1c8k n ARG 16 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1c8k n GLY 17 N 0.00 0.45 3.84 -0.13 0.00 -1.26 -1.48 105.19 106.61 1c8k n GLY 17 Ca 0.26 -2.10 -0.36 0.00 0.00 0.00 0.00 46.02 43.82 1c8k n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1c8k s LEU 18 N -0.04 4.40 -1.02 0.99 2.01 -1.26 -4.62 118.68 119.13 1c8k s LEU 18 Ca 0.00 1.02 -0.02 0.00 0.01 0.00 0.00 54.13 55.14 1c8k s LEU 18 Cb 0.00 -3.00 0.31 0.00 0.01 0.00 0.00 46.19 43.50 1c8k s LEU 18 CO 0.00 0.19 1.49 0.00 1.01 0.00 0.00 176.35 179.04 1c8k n ALA 19 N 1.18 5.29 -1.64 4.21 0.00 -1.26 -3.79 120.51 124.50 1c8k n ALA 19 Ca -0.08 -4.76 -0.38 0.00 0.00 0.00 0.00 53.44 48.21 1c8k n ALA 19 Cb 0.52 -2.16 0.05 0.00 0.00 0.00 0.00 19.45 17.86 1c8k n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1c8k n GLY 20 N 0.92 -0.10 0.09 0.00 0.00 -1.26 -4.85 105.19 99.99 1c8k n GLY 20 Ca 0.31 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 46.12 1c8k n GLY 20 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1c8k h VAL 21 N 0.70 1.14 -0.37 1.61 2.07 -2.00 -1.81 116.25 117.60 1c8k h VAL 21 Ca -0.49 -0.42 -0.13 0.00 0.82 0.00 0.00 66.70 66.49 1c8k h VAL 21 Cb 1.35 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 1c8k h VAL 21 CO 0.52 0.13 -0.30 -0.33 0.02 0.00 0.00 177.57 177.61 1c8k h GLU 22 N 0.05 0.80 -0.01 1.57 3.07 -2.00 -3.07 114.58 115.00 1c8k h GLU 22 Ca 0.04 -0.37 -0.19 0.00 -0.50 0.00 0.00 59.36 58.34 1c8k h GLU 22 Cb 0.15 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.04 1c8k h GLU 22 CO -0.00 0.99 -0.85 -0.91 -1.40 0.00 0.00 179.01 176.84 1c8k h ASN 23 N 0.68 0.26 -0.13 1.42 4.21 -1.93 -0.95 115.58 119.13 1c8k h ASN 23 Ca 0.08 -0.21 -0.10 0.00 1.21 0.00 0.00 56.30 57.28 1c8k h ASN 23 Cb 0.84 -0.08 -0.01 0.00 -1.12 0.00 0.00 38.32 37.95 1c8k h ASN 23 CO 0.07 0.99 -0.25 0.58 -1.29 0.00 0.00 177.43 177.53 1c8k h VAL 24 N 0.12 1.27 -0.28 2.81 2.07 -1.38 0.25 116.25 121.11 1c8k h VAL 24 Ca -0.04 -1.31 -0.08 0.00 0.82 0.00 0.00 66.70 66.09 1c8k h VAL 24 Cb 1.46 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.54 1c8k h VAL 24 CO 0.13 0.42 -0.14 0.74 0.02 0.00 0.00 177.57 178.75 1c8k h THR 25 N 0.51 1.30 -0.52 2.57 2.02 -1.45 -2.30 112.91 115.04 1c8k h THR 25 Ca 0.07 -1.23 -0.02 0.00 0.77 0.00 0.00 66.41 66.00 1c8k h THR 25 Cb 0.71 1.51 -0.02 0.00 -1.74 0.00 0.00 68.15 68.60 1c8k h THR 25 CO 0.05 0.39 0.23 -0.08 0.37 0.00 0.00 175.52 176.48 1c8k h GLU 26 N 0.32 0.76 -0.15 6.66 4.57 -0.95 -2.87 114.58 122.91 1c8k h GLU 26 Ca 0.06 -0.12 0.03 0.00 -1.18 0.00 0.00 59.36 58.15 1c8k h GLU 26 Cb 0.65 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 29.08 1c8k h GLU 26 CO 0.04 0.65 -0.02 -0.07 -1.18 0.00 0.00 179.01 178.43 1c8k h LEU 27 N 0.69 -0.11 -0.64 1.64 4.07 -0.86 -2.50 115.31 117.61 1c8k h LEU 27 Ca 0.18 0.04 0.06 0.00 0.08 0.00 0.00 57.88 58.24 1c8k h LEU 27 Cb 0.15 0.08 -0.06 0.00 1.08 0.00 0.00 40.66 41.92 1c8k h LEU 27 CO -0.02 -0.03 0.33 0.11 -1.08 0.00 0.00 178.44 177.75 1c8k h LYS 28 N 0.02 0.60 -0.24 1.13 1.57 -1.29 0.11 116.57 118.48 1c8k h LYS 28 Ca 0.07 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.70 1c8k h LYS 28 Cb 0.10 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1c8k h LYS 28 CO -0.14 0.40 -0.35 1.57 -0.57 0.00 0.00 179.45 180.35 1c8k h LYS 29 N 0.62 0.52 -0.07 3.15 2.10 -1.39 -1.60 116.57 119.90 1c8k h LYS 29 Ca 0.29 -0.24 -0.12 0.00 -2.00 0.00 0.00 60.65 58.58 1c8k h LYS 29 Cb 0.22 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.52 1c8k h LYS 29 CO -0.20 0.80 -0.52 -0.91 -2.00 0.00 0.00 179.45 176.62 1c8k h ASN 30 N 0.44 0.19 -0.34 7.07 2.35 -0.93 0.29 115.58 124.66 1c8k h ASN 30 Ca 0.05 -0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 1c8k h ASN 30 Cb 0.82 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.12 1c8k h ASN 30 CO 0.07 0.68 0.09 0.15 -1.65 0.00 0.00 177.43 176.77 1c8k h PHE 31 N 0.14 0.56 -0.35 1.19 3.04 -0.47 -1.66 116.94 119.39 1c8k h PHE 31 Ca 0.00 -0.06 -0.10 0.00 3.98 0.00 0.00 57.97 61.79 1c8k h PHE 31 Cb 0.97 -0.16 -0.02 0.00 2.56 0.00 0.00 35.95 39.30 1c8k h PHE 31 CO 0.01 0.56 -0.18 -0.91 -2.02 0.00 0.00 178.31 175.78 1c8k h ASN 32 N 0.39 0.64 0.19 0.41 2.35 -0.88 -1.11 115.58 117.57 1c8k h ASN 32 Ca 0.11 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1c8k h ASN 32 Cb 0.28 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 1c8k h ASN 32 CO -0.00 0.83 -0.15 -0.09 -1.65 0.00 0.00 177.43 176.36 1c8k h ARG 33 N 0.57 -0.34 -0.56 0.81 1.12 -0.12 -1.98 114.38 113.89 1c8k h ARG 33 Ca 0.09 0.02 -0.05 0.00 -1.11 0.00 0.00 59.98 58.94 1c8k h ARG 33 Cb 0.63 0.08 -0.03 0.00 -0.01 0.00 0.00 29.97 30.64 1c8k h ARG 33 CO 0.04 -0.23 0.16 0.45 -3.11 0.00 0.00 179.97 177.29 1c8k h HIS 34 N -0.35 0.86 -0.55 2.20 3.86 -1.13 0.31 115.15 120.34 1c8k h HIS 34 Ca -0.01 -0.07 -0.05 0.00 -1.16 0.00 0.00 60.37 59.08 1c8k h HIS 34 Cb 0.32 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.51 1c8k h HIS 34 CO -0.12 0.71 0.13 1.25 0.86 0.00 0.00 177.93 180.76 1c8k h LEU 35 N 0.82 0.79 0.00 2.43 5.85 -1.00 0.12 115.31 124.31 1c8k h LEU 35 Ca 0.18 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1c8k h LEU 35 Cb 0.26 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1c8k h LEU 35 CO -0.01 0.77 -0.02 -0.74 -0.34 0.00 0.00 178.44 178.11 1c8k h HIS 36 N 0.81 0.00 -0.04 1.25 2.76 -0.91 -1.14 115.15 117.88 1c8k h HIS 36 Ca 0.18 0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 58.16 1c8k h HIS 36 Cb 0.30 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.26 1c8k h HIS 36 CO 0.02 0.00 -0.80 0.74 -1.30 0.00 0.00 177.93 176.59 1c8k h PHE 37 N -0.36 0.44 0.05 5.26 0.04 -0.52 -1.52 116.94 120.33 1c8k h PHE 37 Ca 0.00 -0.21 -0.25 0.00 2.80 0.00 0.00 57.97 60.31 1c8k h PHE 37 Cb 0.02 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.08 1c8k h PHE 37 CO -0.01 0.99 -1.32 1.15 -0.60 0.00 0.00 178.31 178.52 1c8k h THR 38 N 0.20 0.96 0.00 -1.55 2.02 -1.25 -3.38 112.91 109.91 1c8k h THR 38 Ca -0.04 -2.27 0.00 0.00 0.77 0.00 0.00 66.41 64.87 1c8k h THR 38 Cb 1.39 2.47 0.00 0.00 -1.74 0.00 0.00 68.15 70.28 1c8k h THR 38 CO 0.13 0.52 -0.70 0.18 0.37 0.00 0.00 175.52 176.02 1c8k n LEU 39 N -4.17 0.68 -3.60 2.58 4.32 0.28 -4.97 117.00 112.11 1c8k n LEU 39 Ca -0.29 0.18 -0.26 0.00 -0.02 0.00 0.00 56.01 55.63 1c8k n LEU 39 Cb 0.78 -0.17 0.04 0.00 -1.62 0.00 0.00 43.42 42.45 1c8k n LEU 39 CO 0.29 -0.04 -0.06 0.52 -1.22 0.00 0.00 177.39 176.89 1c8k n VAL 40 N -2.08 -6.20 -4.25 4.08 0.31 -0.57 -4.99 118.33 104.62 1c8k n VAL 40 Ca 0.03 -0.94 -0.14 0.00 -0.01 0.00 0.00 64.34 63.28 1c8k n VAL 40 Cb 0.44 -4.64 -0.10 0.00 -0.91 0.00 0.00 33.84 28.62 1c8k n VAL 40 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1c8k s LYS 41 N -5.65 1.20 0.09 5.55 -0.14 -0.45 -5.02 119.74 115.33 1c8k s LYS 41 Ca 0.35 -1.61 0.05 0.00 -1.36 0.00 0.00 55.97 53.41 1c8k s LYS 41 Cb -0.10 -0.17 -0.03 0.00 -1.68 0.00 0.00 37.83 35.84 1c8k s LYS 41 CO 0.83 -0.22 -0.14 0.16 -0.76 0.00 0.00 175.35 175.22 1c8k s ASP 42 N -3.21 1.77 0.64 2.83 -4.77 -1.26 -3.97 116.67 108.70 1c8k s ASP 42 Ca 0.30 -0.70 0.18 0.00 -3.30 0.00 0.00 52.55 49.03 1c8k s ASP 42 Cb 0.07 -0.05 0.84 0.00 -1.09 0.00 0.00 42.92 42.68 1c8k s ASP 42 CO 0.08 -0.11 1.44 0.03 0.70 0.00 0.00 175.17 177.30 1c8k h ARG 43 N 3.98 0.00 -0.00 2.11 2.47 -1.95 -0.35 114.38 120.64 1c8k h ARG 43 Ca -0.40 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.32 1c8k h ARG 43 Cb 1.19 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.51 1c8k h ARG 43 CO 0.45 0.00 -0.15 0.09 0.56 0.00 0.00 179.97 180.91 1c8k n ASN 44 N -2.93 0.22 0.00 7.04 3.02 -1.26 -4.01 115.26 117.34 1c8k n ASN 44 Ca 0.05 0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 1c8k n ASN 44 Cb 0.90 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.86 1c8k n ASN 44 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1c8k n VAL 45 N -1.39 0.06 -2.36 2.41 0.24 -0.17 -5.07 118.33 112.05 1c8k n VAL 45 Ca 0.08 -0.21 -0.41 0.00 -2.04 0.00 0.00 64.34 61.77 1c8k n VAL 45 Cb 0.32 1.51 -0.03 0.00 -1.47 0.00 0.00 33.84 34.16 1c8k n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1c8k s ALA 46 N -0.06 3.44 0.37 2.33 0.00 -1.02 -4.94 121.76 121.88 1c8k s ALA 46 Ca 0.00 0.98 0.08 0.00 0.00 0.00 0.00 51.96 53.02 1c8k s ALA 46 Cb 0.00 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 1c8k s ALA 46 CO 0.00 -0.36 0.23 0.95 0.00 0.00 0.00 175.76 176.58 1c8k s THR 47 N -0.40 2.88 0.45 0.00 -4.23 -1.26 -4.97 115.64 108.11 1c8k s THR 47 Ca 0.51 -1.55 0.22 0.00 -1.18 0.00 0.00 61.69 59.69 1c8k s THR 47 Cb -0.33 -3.02 0.42 0.00 1.34 0.00 0.00 72.50 70.90 1c8k s THR 47 CO 0.39 -0.10 1.83 -0.65 -0.54 0.00 0.00 174.62 175.56 1c8k h PRO 48 N 1.34 0.28 -0.65 3.99 0.11 -1.99 0.32 132.00 135.41 1c8k h PRO 48 Ca -0.43 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.59 1c8k h PRO 48 Cb 1.26 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 1c8k h PRO 48 CO 0.62 0.19 0.10 -0.09 -0.21 0.00 0.00 178.00 178.61 1c8k h ARG 49 N 0.29 1.06 -0.59 1.05 2.43 -1.96 -0.17 114.38 116.49 1c8k h ARG 49 Ca 0.50 -0.27 -0.03 0.00 -0.81 0.00 0.00 59.98 59.36 1c8k h ARG 49 Cb 1.45 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.85 1c8k h ARG 49 CO -0.16 0.97 0.23 -0.44 -1.51 0.00 0.00 179.97 179.06 1c8k h ASP 50 N 0.99 0.82 -0.58 -3.80 3.32 -0.77 -1.50 116.42 114.89 1c8k h ASP 50 Ca 0.20 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 57.02 1c8k h ASP 50 Cb 0.43 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 1c8k h ASP 50 CO 0.01 0.76 0.17 1.88 -1.72 0.00 0.00 179.24 180.34 1c8k h TYR 51 N 0.82 0.98 -0.44 4.55 0.05 -1.00 0.85 116.97 122.78 1c8k h TYR 51 Ca 0.20 -0.09 -0.02 0.00 0.05 0.00 0.00 58.73 58.86 1c8k h TYR 51 Cb 0.21 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 37.64 1c8k h TYR 51 CO 0.01 0.80 0.21 -0.92 -1.05 0.00 0.00 178.16 177.21 1c8k h TYR 52 N 0.92 0.65 -0.61 4.88 3.20 -0.65 -1.89 116.97 123.47 1c8k h TYR 52 Ca 0.20 -0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.95 1c8k h TYR 52 Cb 0.30 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 1c8k h TYR 52 CO 0.02 0.53 0.05 0.74 -1.64 0.00 0.00 178.16 177.86 1c8k h PHE 53 N 0.58 1.12 -0.84 -3.82 0.04 -0.54 0.23 116.94 113.70 1c8k h PHE 53 Ca 0.15 -0.17 -0.01 0.00 2.80 0.00 0.00 57.97 60.74 1c8k h PHE 53 Cb 0.13 -0.30 -0.04 0.00 2.20 0.00 0.00 35.95 37.94 1c8k h PHE 53 CO -0.01 0.97 0.50 0.00 -0.60 0.00 0.00 178.31 179.17 1c8k h ALA 54 N 1.08 1.08 -0.22 2.45 0.00 -0.69 -1.25 119.26 121.71 1c8k h ALA 54 Ca 0.18 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1c8k h ALA 54 Cb 0.49 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1c8k h ALA 54 CO 0.02 0.55 -0.05 1.25 0.00 0.00 0.00 179.25 181.02 1c8k h LEU 55 N 1.16 0.42 -0.58 0.00 5.85 -0.96 -2.06 115.31 119.14 1c8k h LEU 55 Ca 0.30 -0.36 0.05 0.00 0.84 0.00 0.00 57.88 58.70 1c8k h LEU 55 Cb -0.03 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.84 1c8k h LEU 55 CO -0.05 0.69 0.31 0.00 -0.34 0.00 0.00 178.44 179.04 1c8k h ALA 56 N 0.75 0.75 -0.39 1.25 0.00 -0.64 0.47 119.26 121.45 1c8k h ALA 56 Ca 0.06 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1c8k h ALA 56 Cb 0.50 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1c8k h ALA 56 CO 0.02 -0.02 -0.07 0.45 0.00 0.00 0.00 179.25 179.63 1c8k h HIS 57 N 0.59 0.70 -0.56 0.00 3.86 -1.22 0.18 115.15 118.72 1c8k h HIS 57 Ca 0.25 -0.11 -0.08 0.00 -1.16 0.00 0.00 60.37 59.28 1c8k h HIS 57 Cb 0.14 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.40 1c8k h HIS 57 CO -0.09 0.71 0.04 1.15 0.86 0.00 0.00 177.93 180.60 1c8k h THR 58 N 0.61 1.26 -0.26 2.45 2.02 -0.54 -1.57 112.91 116.88 1c8k h THR 58 Ca 0.11 -1.06 -0.20 0.00 0.77 0.00 0.00 66.41 66.04 1c8k h THR 58 Cb 0.49 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1c8k h THR 58 CO 0.03 0.38 -0.60 0.58 0.37 0.00 0.00 175.52 176.28 1c8k h VAL 59 N 0.84 1.27 -0.73 3.16 2.07 -0.62 -3.13 116.25 119.12 1c8k h VAL 59 Ca 0.16 -1.79 0.02 0.00 0.82 0.00 0.00 66.70 65.92 1c8k h VAL 59 Cb 0.49 1.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 1c8k h VAL 59 CO 0.02 0.58 0.48 -0.09 0.02 0.00 0.00 177.57 178.58 1c8k h ARG 60 N 0.65 0.91 -0.93 1.57 2.43 -0.51 -1.69 114.38 116.81 1c8k h ARG 60 Ca -0.00 -0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.21 1c8k h ARG 60 Cb 1.22 -0.21 -0.07 0.00 -0.42 0.00 0.00 29.97 30.49 1c8k h ARG 60 CO 0.13 0.60 0.57 -0.44 -1.51 0.00 0.00 179.97 179.33 1c8k h ASP 61 N 0.94 0.86 0.37 -3.80 3.32 -1.22 -1.94 116.42 114.94 1c8k h ASP 61 Ca 0.28 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1c8k h ASP 61 Cb -0.03 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.38 1c8k h ASP 61 CO -0.07 0.50 0.00 0.45 -1.72 0.00 0.00 179.24 178.40 1c8k h HIS 62 N 0.97 0.00 -0.01 4.55 3.86 -1.35 -3.05 115.15 120.11 1c8k h HIS 62 Ca 0.44 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.65 1c8k h HIS 62 Cb 0.34 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.81 1c8k h HIS 62 CO -0.03 0.00 -0.19 1.47 0.86 0.00 0.00 177.93 180.05 1c8k n LEU 63 N -3.07 1.68 -0.12 2.43 -0.00 -0.74 -4.45 117.00 112.75 1c8k n LEU 63 Ca -0.02 -0.84 -0.09 0.00 -0.00 0.00 0.00 56.01 55.06 1c8k n LEU 63 Cb 0.15 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 43.64 1c8k n LEU 63 CO 0.22 0.32 0.71 -0.37 -0.00 0.00 0.00 177.39 178.27 1c8k h VAL 64 N 1.91 1.27 -0.34 1.47 -1.51 -1.47 0.43 116.25 118.02 1c8k h VAL 64 Ca 0.00 -1.32 0.03 0.00 -1.23 0.00 0.00 66.70 64.18 1c8k h VAL 64 Cb 0.50 1.14 -0.03 0.00 -2.13 0.00 0.00 31.29 30.76 1c8k h VAL 64 CO 0.00 0.45 0.14 1.23 -1.23 0.00 0.00 177.57 178.16 1c8k h GLY 65 N 0.94 0.44 1.10 5.19 0.00 -1.78 0.11 103.07 109.07 1c8k h GLY 65 Ca 0.11 -0.09 -0.14 0.00 0.00 0.00 0.00 47.33 47.21 1c8k h GLY 65 CO 0.06 0.06 -0.25 3.21 0.00 0.00 0.00 176.54 179.61 1c8k h ARG 66 N 0.30 0.95 -0.27 4.80 3.08 -1.71 -2.71 114.38 118.82 1c8k h ARG 66 Ca 0.15 -0.43 0.05 0.00 0.07 0.00 0.00 59.98 59.81 1c8k h ARG 66 Cb 0.09 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.08 1c8k h ARG 66 CO -0.13 1.10 -0.00 2.35 -1.07 0.00 0.00 179.97 182.22 1c8k h TRP 67 N 0.79 -0.02 -0.27 3.04 7.01 0.32 0.11 115.95 126.94 1c8k h TRP 67 Ca 0.09 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.11 1c8k h TRP 67 Cb 0.84 0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.93 1c8k h TRP 67 CO 0.06 -0.04 0.14 0.82 -2.79 0.00 0.00 178.44 176.63 1c8k h ILE 68 N 0.08 1.13 -0.04 2.65 2.04 -0.93 -2.34 117.51 120.09 1c8k h ILE 68 Ca 0.13 -0.34 -0.12 0.00 1.00 0.00 0.00 64.86 65.53 1c8k h ILE 68 Cb 0.17 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1c8k h ILE 68 CO -0.22 0.13 -0.51 0.08 0.00 0.00 0.00 178.15 177.62 1c8k h ARG 69 N 0.32 0.12 0.04 2.37 0.11 -1.23 -0.90 114.38 115.21 1c8k h ARG 69 Ca 0.09 -0.07 -0.00 0.00 0.10 0.00 0.00 59.98 60.11 1c8k h ARG 69 Cb 0.07 0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.16 1c8k h ARG 69 CO -0.01 0.61 -0.02 1.15 0.10 0.00 0.00 179.97 181.79 1c8k h THR 70 N 0.09 1.08 -0.28 0.08 2.02 -0.61 0.28 112.91 115.57 1c8k h THR 70 Ca 0.00 -0.38 -0.07 0.00 0.77 0.00 0.00 66.41 66.73 1c8k h THR 70 Cb 0.94 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 68.67 1c8k h THR 70 CO 0.07 0.10 -0.14 1.56 0.37 0.00 0.00 175.52 177.47 1c8k h GLN 71 N -0.22 0.48 -0.43 6.66 1.08 -1.35 -1.78 115.11 119.55 1c8k h GLN 71 Ca -0.01 -0.14 -0.11 0.00 -1.45 0.00 0.00 58.65 56.94 1c8k h GLN 71 Cb 0.20 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 1c8k h GLN 71 CO 0.01 0.62 -0.17 0.37 -0.95 0.00 0.00 178.83 178.71 1c8k h GLN 72 N 0.44 0.87 -0.09 1.46 5.75 -0.97 -2.68 115.11 119.89 1c8k h GLN 72 Ca 0.08 -0.37 0.04 0.00 -0.15 0.00 0.00 58.65 58.25 1c8k h GLN 72 Cb 0.52 -0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.98 1c8k h GLN 72 CO 0.03 1.01 -0.23 1.25 -2.65 0.00 0.00 178.83 178.25 1c8k h HIS 73 N 0.70 -0.60 -0.25 3.99 2.76 0.19 -1.16 115.15 120.78 1c8k h HIS 73 Ca 0.10 0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.33 1c8k h HIS 73 Cb 0.73 0.28 -0.01 0.00 1.55 0.00 0.00 27.41 29.96 1c8k h HIS 73 CO 0.05 -0.31 0.17 1.88 -1.30 0.00 0.00 177.93 178.43 1c8k h TYR 74 N -0.31 0.21 -0.39 5.26 0.05 -1.30 -0.70 116.97 119.79 1c8k h TYR 74 Ca 0.09 0.01 -0.14 0.00 0.05 0.00 0.00 58.73 58.74 1c8k h TYR 74 Cb 0.44 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 38.10 1c8k h TYR 74 CO -0.31 0.12 -0.30 -0.92 -1.05 0.00 0.00 178.16 175.70 1c8k h TYR 75 N 0.22 0.99 0.22 4.88 3.20 -0.89 -0.06 116.97 125.52 1c8k h TYR 75 Ca 0.11 -0.26 -0.01 0.00 3.14 0.00 0.00 58.73 61.71 1c8k h TYR 75 Cb 0.16 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.21 1c8k h TYR 75 CO -0.00 1.04 -0.10 0.93 -1.64 0.00 0.00 178.16 178.38 1c8k h GLU 76 N 0.72 -0.28 0.00 1.82 4.39 -0.36 -3.33 114.58 117.53 1c8k h GLU 76 Ca 0.08 0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.72 1c8k h GLU 76 Cb 0.85 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.55 1c8k h GLU 76 CO 0.07 0.03 -0.38 0.87 -1.16 0.00 0.00 179.01 178.44 1c8k h LYS 77 N -0.98 0.00 -5.87 2.33 1.79 -1.28 -3.48 116.57 109.08 1c8k h LYS 77 Ca -0.03 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 58.09 1c8k h LYS 77 Cb 0.44 0.00 0.14 0.00 -1.58 0.00 0.00 32.23 31.23 1c8k h LYS 77 CO 0.05 0.38 -0.90 -3.47 -1.08 0.00 0.00 179.45 174.43 1c8k n ASP 78 N -3.97 -5.82 -4.71 0.86 2.03 -0.04 -5.01 116.55 99.90 1c8k n ASP 78 Ca -0.02 -0.87 -0.27 0.00 0.52 0.00 0.00 54.79 54.15 1c8k n ASP 78 Cb 0.43 -4.24 0.10 0.00 -0.72 0.00 0.00 41.12 36.69 1c8k n ASP 78 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1c8k s PRO 79 N -5.26 1.72 0.18 -0.67 0.04 -1.26 -4.99 135.00 124.76 1c8k s PRO 79 Ca 0.46 -0.31 -0.31 0.00 0.04 0.00 0.00 61.00 60.88 1c8k s PRO 79 Cb -0.12 -2.06 -0.09 0.00 0.04 0.00 0.00 34.50 32.27 1c8k s PRO 79 CO 0.80 -1.62 1.47 0.21 0.04 0.00 0.00 177.00 177.91 1c8k s LYS 80 N -5.46 4.27 -0.08 4.56 2.20 -1.26 -4.96 119.74 119.00 1c8k s LYS 80 Ca 0.64 2.25 -0.10 0.00 -0.36 0.00 0.00 55.97 58.40 1c8k s LYS 80 Cb -0.09 -3.17 -0.05 0.00 -1.51 0.00 0.00 37.83 33.02 1c8k s LYS 80 CO 0.48 -0.49 0.25 1.03 -0.36 0.00 0.00 175.35 176.25 1c8k s ARG 81 N 0.64 3.66 -0.23 4.03 3.00 0.47 -4.54 118.95 125.98 1c8k s ARG 81 Ca 0.65 0.08 -0.07 0.00 0.00 0.00 0.00 55.73 56.38 1c8k s ARG 81 Cb -0.41 -3.22 -0.03 0.00 0.00 0.00 0.00 34.95 31.29 1c8k s ARG 81 CO 0.35 0.72 0.07 0.42 0.00 0.00 0.00 175.30 176.85 1c8k s ILE 82 N -0.96 4.41 -0.31 1.52 -1.09 -0.45 -1.53 121.20 122.79 1c8k s ILE 82 Ca 0.18 -0.14 -0.05 0.00 -2.23 0.00 0.00 60.65 58.40 1c8k s ILE 82 Cb -0.14 -3.04 0.03 0.00 -1.58 0.00 0.00 42.46 37.73 1c8k s ILE 82 CO 0.07 0.37 0.06 -0.31 -1.23 0.00 0.00 174.94 173.91 1c8k s TYR 83 N 1.30 3.21 -0.56 3.97 2.02 0.18 -0.60 117.35 126.88 1c8k s TYR 83 Ca 0.05 -1.40 -0.17 0.00 -0.37 0.00 0.00 57.07 55.18 1c8k s TYR 83 Cb -0.15 -2.22 0.12 0.00 -0.40 0.00 0.00 41.96 39.31 1c8k s TYR 83 CO 0.03 -0.70 0.58 -0.47 -1.57 0.00 0.00 175.55 173.42 1c8k s TYR 84 N 1.39 3.15 -0.19 2.71 5.04 -0.27 -0.61 117.35 128.57 1c8k s TYR 84 Ca -0.01 -1.16 -0.22 0.00 -2.44 0.00 0.00 57.07 53.25 1c8k s TYR 84 Cb -0.19 -3.87 -0.02 0.00 0.35 0.00 0.00 41.96 38.23 1c8k s TYR 84 CO 0.01 -1.12 0.67 -0.51 -1.34 0.00 0.00 175.55 173.26 1c8k s LEU 85 N 2.02 4.15 -0.10 6.97 1.02 -0.41 -1.79 118.68 130.55 1c8k s LEU 85 Ca 0.06 0.89 -0.14 0.00 0.02 0.00 0.00 54.13 54.97 1c8k s LEU 85 Cb -0.28 -2.96 0.03 0.00 0.02 0.00 0.00 46.19 43.01 1c8k s LEU 85 CO 0.04 -0.30 0.36 -0.55 0.02 0.00 0.00 176.35 175.92 1c8k s SER 86 N 1.20 -0.33 0.00 2.29 0.15 -1.00 -1.77 113.70 114.24 1c8k s SER 86 Ca 0.30 0.53 0.28 0.00 0.70 0.00 0.00 55.95 57.77 1c8k s SER 86 Cb -0.16 0.61 1.29 0.00 -1.71 0.00 0.00 66.02 66.04 1c8k s SER 86 CO 0.11 -0.25 1.87 0.18 1.20 0.00 0.00 173.24 176.35 1c8k n LEU 87 N 2.30 0.99 -3.81 3.45 4.32 -1.26 -4.17 117.00 118.82 1c8k n LEU 87 Ca -0.16 -0.34 -0.13 0.00 -0.02 0.00 0.00 56.01 55.36 1c8k n LEU 87 Cb 0.57 -0.01 -0.14 0.00 -1.62 0.00 0.00 43.42 42.22 1c8k n LEU 87 CO 0.17 0.17 -0.29 -1.61 -1.22 0.00 0.00 177.39 174.62 1c8k s GLU 88 N -1.98 0.06 -0.31 3.23 2.02 -1.26 -4.72 118.70 115.74 1c8k s GLU 88 Ca 0.40 0.18 -0.02 0.00 0.02 0.00 0.00 54.97 55.54 1c8k s GLU 88 Cb 0.21 -0.07 0.12 0.00 0.10 0.00 0.00 34.13 34.48 1c8k s GLU 88 CO 0.33 -0.08 0.16 -0.06 0.02 0.00 0.00 175.26 175.64 1c8k s PHE 89 N 0.50 0.51 -1.24 1.61 0.08 -0.24 -4.58 117.98 114.61 1c8k s PHE 89 Ca -0.04 -1.19 -0.16 0.00 0.12 0.00 0.00 56.93 55.66 1c8k s PHE 89 Cb -0.05 -0.92 0.12 0.00 -0.57 0.00 0.00 43.02 41.59 1c8k s PHE 89 CO -0.02 -0.83 1.57 -0.47 -0.10 0.00 0.00 175.22 175.37 1c8k s TYR 90 N 1.69 3.14 0.15 0.36 6.14 -0.01 -3.65 117.35 125.17 1c8k s TYR 90 Ca 0.12 -1.86 -0.01 0.00 0.64 0.00 0.00 57.07 55.97 1c8k s TYR 90 Cb -0.19 -4.53 -0.04 0.00 0.42 0.00 0.00 41.96 37.62 1c8k s TYR 90 CO -0.22 -1.60 1.35 0.52 0.64 0.00 0.00 175.55 176.24 1c8k h MET 91 N 7.43 0.29 0.00 4.97 2.86 -1.77 -3.41 114.93 125.30 1c8k h MET 91 Ca 0.37 -0.31 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1c8k h MET 91 Cb 0.88 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.63 1c8k h MET 91 CO 1.35 1.01 0.00 0.41 1.06 0.00 0.00 176.91 180.74 1c8k n GLY 92 N 0.88 -0.43 3.83 8.32 0.00 -0.95 -4.81 105.19 112.03 1c8k n GLY 92 Ca -0.05 -1.08 -0.32 0.00 0.00 0.00 0.00 46.02 44.57 1c8k n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1c8k s ARG 93 N 0.00 3.72 0.00 1.61 0.52 -1.26 -1.88 118.95 121.65 1c8k s ARG 93 Ca 0.00 1.06 0.00 0.00 -0.52 0.00 0.00 55.73 56.27 1c8k s ARG 93 Cb 0.00 -2.10 0.00 0.00 0.52 0.00 0.00 34.95 33.37 1c8k s ARG 93 CO 0.00 -0.47 0.13 0.25 0.02 0.00 0.00 175.30 175.23 1c8k n THR 94 N -1.72 0.00 0.41 0.02 -2.24 -1.26 -4.71 114.28 104.78 1c8k n THR 94 Ca 0.07 -0.44 -0.18 0.00 -2.27 0.00 0.00 64.05 61.23 1c8k n THR 94 Cb 0.54 1.03 -0.09 0.00 -2.10 0.00 0.00 70.33 69.71 1c8k n THR 94 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1c8k h LEU 95 N 0.00 -0.88 -0.59 3.22 5.85 -1.96 -1.99 115.31 118.96 1c8k h LEU 95 Ca 0.00 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1c8k h LEU 95 Cb 0.02 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1c8k h LEU 95 CO 0.00 -0.58 0.32 -0.61 -0.34 0.00 0.00 178.44 177.23 1c8k h GLN 96 N -1.12 0.82 -0.59 1.25 4.15 -1.97 -2.17 115.11 115.48 1c8k h GLN 96 Ca -0.11 -0.09 0.02 0.00 0.77 0.00 0.00 58.65 59.24 1c8k h GLN 96 Cb 0.81 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 28.31 1c8k h GLN 96 CO 0.17 0.62 0.39 -0.97 -1.93 0.00 0.00 178.83 177.12 1c8k h ASN 97 N 0.79 0.62 -0.32 -0.69 -0.73 -1.84 -0.48 115.58 112.94 1c8k h ASN 97 Ca 0.21 -0.01 -0.10 0.00 1.87 0.00 0.00 56.30 58.27 1c8k h ASN 97 Cb 0.04 -0.15 -0.01 0.00 0.27 0.00 0.00 38.32 38.48 1c8k h ASN 97 CO -0.03 0.44 -0.19 0.74 -0.37 0.00 0.00 177.43 178.02 1c8k h THR 98 N 0.73 1.29 -0.65 -3.57 2.02 -0.91 -2.04 112.91 109.78 1c8k h THR 98 Ca 0.23 -1.31 -0.02 0.00 0.77 0.00 0.00 66.41 66.08 1c8k h THR 98 Cb 0.02 1.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.85 1c8k h THR 98 CO -0.06 0.42 0.33 0.24 0.37 0.00 0.00 175.52 176.83 1c8k h MET 99 N 0.46 0.92 0.01 6.66 2.86 -0.77 -1.72 114.93 123.35 1c8k h MET 99 Ca 0.07 -0.12 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1c8k h MET 99 Cb 0.73 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.22 1c8k h MET 99 CO 0.05 0.72 -0.01 0.28 1.06 0.00 0.00 176.91 179.02 1c8k h VAL 100 N 0.89 1.05 0.00 -2.22 2.07 -1.03 0.39 116.25 117.40 1c8k h VAL 100 Ca 0.23 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.55 1c8k h VAL 100 Cb 0.09 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1c8k h VAL 100 CO -0.03 0.05 0.00 0.78 0.02 0.00 0.00 177.57 178.39 1c8k h ASN 101 N -0.10 0.00 -0.02 0.57 4.21 -1.25 -2.46 115.58 116.53 1c8k h ASN 101 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1c8k h ASN 101 Cb 0.10 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.30 1c8k h ASN 101 CO 0.00 0.00 -0.08 0.18 -1.29 0.00 0.00 177.43 176.25 1c8k n LEU 102 N -2.60 2.27 -3.33 1.61 4.32 -0.66 -0.63 117.00 117.98 1c8k n LEU 102 Ca 0.01 -0.95 -0.22 0.00 -0.02 0.00 0.00 56.01 54.84 1c8k n LEU 102 Cb 0.25 0.00 0.07 0.00 -1.62 0.00 0.00 43.42 42.13 1c8k n LEU 102 CO 0.23 0.40 0.23 0.00 -1.22 0.00 0.00 177.39 177.03 1c8k n ALA 103 N 0.73 -1.21 0.63 -1.18 0.00 0.34 -4.92 120.51 114.91 1c8k n ALA 103 Ca 0.09 0.36 0.07 0.00 0.00 0.00 0.00 53.44 53.96 1c8k n ALA 103 Cb 0.41 -5.04 -0.08 0.00 0.00 0.00 0.00 19.45 14.74 1c8k n ALA 103 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1c8k n LEU 104 N -4.61 0.63 -0.19 0.00 4.32 0.11 -4.46 117.00 112.80 1c8k n LEU 104 Ca 0.00 -0.49 -0.00 0.00 -0.02 0.00 0.00 56.01 55.50 1c8k n LEU 104 Cb 0.56 0.00 0.08 0.00 -1.62 0.00 0.00 43.42 42.43 1c8k n LEU 104 CO 0.59 0.16 0.81 -0.08 -1.22 0.00 0.00 177.39 177.65 1c8k h GLU 105 N 0.00 0.07 -0.17 3.23 4.81 -1.54 -0.34 114.58 120.65 1c8k h GLU 105 Ca 0.00 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.11 1c8k h GLU 105 Cb 0.33 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1c8k h GLU 105 CO 0.00 0.05 -0.34 -0.91 -0.73 0.00 0.00 179.01 177.08 1c8k h ASN 106 N 0.07 0.59 -0.61 1.04 2.35 -1.52 -0.74 115.58 116.77 1c8k h ASN 106 Ca 0.29 -0.55 0.05 0.00 -0.55 0.00 0.00 56.30 55.55 1c8k h ASN 106 Cb 0.46 -0.17 -0.05 0.00 0.05 0.00 0.00 38.32 38.61 1c8k h ASN 106 CO -0.53 1.03 0.33 0.00 -1.65 0.00 0.00 177.43 176.61 1c8k h ALA 107 N 0.57 0.80 -0.40 -0.83 0.00 -1.60 0.18 119.26 118.00 1c8k h ALA 107 Ca 0.01 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1c8k h ALA 107 Cb 0.94 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1c8k h ALA 107 CO 0.08 -0.00 -0.23 0.00 0.00 0.00 0.00 179.25 179.09 1c8k h ASP 109 N 0.70 0.71 0.10 0.00 1.82 -0.24 -1.51 116.42 117.99 1c8k h ASP 109 Ca 0.09 -0.14 -0.00 0.00 -0.39 0.00 0.00 57.03 56.59 1c8k h ASP 109 Cb 0.76 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 40.59 1c8k h ASP 109 CO 0.06 0.65 -0.05 -0.08 -1.61 0.00 0.00 179.24 178.21 1c8k h GLU 110 N 0.72 -0.12 -0.51 0.28 4.57 -0.47 -2.22 114.58 116.82 1c8k h GLU 110 Ca 0.18 0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.43 1c8k h GLU 110 Cb 0.13 0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.70 1c8k h GLU 110 CO -0.02 0.17 0.21 0.00 -1.18 0.00 0.00 179.01 178.18 1c8k h ALA 111 N 0.46 0.64 -0.01 2.92 0.00 -0.96 -0.24 119.26 122.07 1c8k h ALA 111 Ca -0.01 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1c8k h ALA 111 Cb 0.35 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1c8k h ALA 111 CO 0.02 -0.17 -0.50 1.79 0.00 0.00 0.00 179.25 180.39 1c8k h THR 112 N 0.41 1.36 -0.21 0.00 1.35 -1.33 -1.94 112.91 112.54 1c8k h THR 112 Ca 0.24 -1.72 -0.02 0.00 -0.55 0.00 0.00 66.41 64.36 1c8k h THR 112 Cb 0.23 1.92 -0.01 0.00 -1.73 0.00 0.00 68.15 68.56 1c8k h THR 112 CO -0.22 0.49 0.06 0.22 -0.25 0.00 0.00 175.52 175.82 1c8k h TYR 113 N 0.01 0.35 0.00 4.73 3.20 -0.64 0.80 116.97 125.43 1c8k h TYR 113 Ca -0.00 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.79 1c8k h TYR 113 Cb 0.89 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 39.06 1c8k h TYR 113 CO 0.00 0.44 -0.15 1.96 -1.64 0.00 0.00 178.16 178.77 1c8k h GLN 114 N 0.16 0.00 -0.05 1.82 4.20 -0.85 0.23 115.11 120.63 1c8k h GLN 114 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1c8k h GLN 114 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1c8k h GLN 114 CO -0.00 0.15 0.00 1.28 -0.67 0.00 0.00 178.83 179.59 1c8k n LEU 115 N -3.74 0.77 -0.51 1.46 4.32 -0.75 -4.90 117.00 113.65 1c8k n LEU 115 Ca -0.02 -0.30 -0.05 0.00 -0.02 0.00 0.00 56.01 55.63 1c8k n LEU 115 Cb 0.26 -0.03 -0.01 0.00 -1.62 0.00 0.00 43.42 42.02 1c8k n LEU 115 CO 0.32 0.15 -0.06 0.61 -1.22 0.00 0.00 177.39 177.19 1c8k n GLY 116 N 1.00 0.34 3.40 -0.72 0.00 0.82 -5.05 105.19 104.99 1c8k n GLY 116 Ca 0.18 -0.73 -0.28 0.00 0.00 0.00 0.00 46.02 45.19 1c8k n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1c8k s LEU 117 N -1.33 2.35 -0.52 0.99 1.43 0.27 -4.98 118.68 116.90 1c8k s LEU 117 Ca 0.00 -0.78 -0.18 0.00 -1.03 0.00 0.00 54.13 52.14 1c8k s LEU 117 Cb 0.00 -1.19 0.08 0.00 0.03 0.00 0.00 46.19 45.11 1c8k s LEU 117 CO 0.00 0.16 0.57 -0.62 0.23 0.00 0.00 176.35 176.69 1c8k s ASP 118 N -2.24 6.19 0.32 2.29 -1.08 -1.26 -3.37 116.67 117.52 1c8k s ASP 118 Ca 0.16 -1.22 0.09 0.00 -0.52 0.00 0.00 52.55 51.06 1c8k s ASP 118 Cb -0.09 -2.26 0.84 0.00 -1.46 0.00 0.00 42.92 39.95 1c8k s ASP 118 CO 0.07 -0.87 1.76 -0.03 0.52 0.00 0.00 175.17 176.62 1c8k h MET 119 N 8.96 0.63 -0.30 4.34 1.85 -1.90 0.66 114.93 129.18 1c8k h MET 119 Ca -0.28 -0.04 -0.05 0.00 -0.61 0.00 0.00 59.70 58.72 1c8k h MET 119 Cb 1.10 -0.14 -0.02 0.00 0.43 0.00 0.00 31.60 32.97 1c8k h MET 119 CO 0.98 0.42 -0.02 0.93 -0.40 0.00 0.00 176.91 178.82 1c8k h GLU 120 N 0.65 0.46 -0.47 0.39 5.08 -2.00 -1.47 114.58 117.23 1c8k h GLU 120 Ca 0.61 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.76 1c8k h GLU 120 Cb 1.09 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 1c8k h GLU 120 CO -0.41 0.50 -0.17 1.49 -1.00 0.00 0.00 179.01 179.42 1c8k h GLU 121 N 0.44 0.91 -0.19 2.33 4.81 -1.29 -3.05 114.58 118.53 1c8k h GLU 121 Ca 0.09 -0.35 -0.14 0.00 -0.13 0.00 0.00 59.36 58.83 1c8k h GLU 121 Cb 0.32 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1c8k h GLU 121 CO 0.01 1.00 -0.48 -0.07 -0.73 0.00 0.00 179.01 178.74 1c8k h LEU 122 N 0.80 0.54 -1.37 1.64 4.07 -1.03 -3.13 115.31 116.82 1c8k h LEU 122 Ca 0.12 -0.26 -0.04 0.00 0.08 0.00 0.00 57.88 57.77 1c8k h LEU 122 Cb 0.71 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.28 1c8k h LEU 122 CO 0.05 0.94 -0.02 -0.33 -1.08 0.00 0.00 178.44 178.00 1c8k h GLU 123 N 0.40 0.40 0.00 1.13 5.08 -1.19 -1.98 114.58 118.42 1c8k h GLU 123 Ca 0.02 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1c8k h GLU 123 Cb 0.99 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1c8k h GLU 123 CO 0.09 0.44 0.00 0.39 -1.00 0.00 0.00 179.01 178.93 1c8k n GLU 124 N -4.31 0.20 0.13 2.33 -0.58 -1.17 -2.36 120.64 114.87 1c8k n GLU 124 Ca 0.01 0.47 0.02 0.00 -0.42 0.00 0.00 57.16 57.23 1c8k n GLU 124 Cb 0.22 -1.91 0.04 0.00 -0.57 0.00 0.00 31.44 29.22 1c8k n GLU 124 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1c8k h ILE 125 N 0.00 0.98 -3.33 -3.67 2.04 -1.46 -3.45 117.51 108.61 1c8k h ILE 125 Ca 0.00 -2.31 -0.53 0.00 1.00 0.00 0.00 64.86 63.03 1c8k h ILE 125 Cb 0.31 2.43 0.06 0.00 -0.74 0.00 0.00 36.82 38.88 1c8k h ILE 125 CO 0.00 0.54 0.79 -0.70 0.00 0.00 0.00 178.15 178.78 1c8k s GLU 126 N -2.99 4.24 0.25 2.37 2.12 -1.00 -4.99 118.70 118.71 1c8k s GLU 126 Ca 0.03 2.36 -0.22 0.00 0.36 0.00 0.00 54.97 57.50 1c8k s GLU 126 Cb 0.08 -3.10 -0.09 0.00 0.26 0.00 0.00 34.13 31.29 1c8k s GLU 126 CO 0.75 -0.47 0.80 -2.00 -0.54 0.00 0.00 175.26 173.79 1c8k s GLU 127 N -0.29 4.36 0.35 4.30 2.56 -1.26 -4.94 118.70 123.78 1c8k s GLU 127 Ca 0.61 1.02 -0.27 0.00 0.00 0.00 0.00 54.97 56.33 1c8k s GLU 127 Cb -0.43 -2.86 -0.09 0.00 2.00 0.00 0.00 34.13 32.75 1c8k s GLU 127 CO 0.43 0.36 1.16 -0.51 -0.56 0.00 0.00 175.26 176.14 1c8k s ASP 128 N -1.63 6.85 -0.94 -1.70 1.11 -1.26 -4.51 116.67 114.58 1c8k s ASP 128 Ca 0.45 2.35 -0.17 0.00 0.18 0.00 0.00 52.55 55.36 1c8k s ASP 128 Cb -0.17 -2.62 0.16 0.00 1.07 0.00 0.00 42.92 41.36 1c8k s ASP 128 CO 0.22 -0.45 1.07 0.00 1.18 0.00 0.00 175.17 177.19 1c8k s ALA 129 N -1.30 3.64 -0.84 5.23 0.00 -0.79 -4.87 121.76 122.83 1c8k s ALA 129 Ca 0.51 -2.99 -0.05 0.00 0.00 0.00 0.00 51.96 49.43 1c8k s ALA 129 Cb -0.32 -3.92 0.06 0.00 0.00 0.00 0.00 23.12 18.95 1c8k s ALA 129 CO 0.41 -2.77 2.66 0.41 0.00 0.00 0.00 175.76 176.46 1c8k n GLY 130 N 4.92 4.65 1.85 0.00 0.00 -1.26 -2.24 105.19 113.10 1c8k n GLY 130 Ca 0.23 -1.91 -0.11 0.00 0.00 0.00 0.00 46.02 44.23 1c8k n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1c8k n LEU 131 N 1.41 5.79 -3.64 0.99 4.77 -1.24 -1.01 117.00 124.07 1c8k n LEU 131 Ca 0.55 -3.04 -0.07 0.00 -0.03 0.00 0.00 56.01 53.41 1c8k n LEU 131 Cb 0.43 -1.18 -0.02 0.00 -2.33 0.00 0.00 43.42 40.32 1c8k n LEU 131 CO 0.49 1.31 0.58 -0.83 -1.33 0.00 0.00 177.39 177.61 1c8k s GLY 132 N 1.27 -0.34 -0.14 -0.72 0.00 -1.26 -1.08 107.32 105.04 1c8k s GLY 132 Ca 0.31 0.32 0.02 0.00 0.00 0.00 0.00 44.72 45.36 1c8k s GLY 132 CO -0.03 0.10 0.28 0.70 0.00 0.00 0.00 173.10 174.14 1c8k n ASN 133 N -0.39 1.62 0.00 1.64 3.02 -1.26 -4.47 115.26 115.41 1c8k n ASN 133 Ca -0.09 0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 1c8k n ASN 133 Cb 0.62 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 39.37 1c8k n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1c8k n GLY 134 N 1.93 -0.32 0.16 7.41 0.00 -1.26 -4.93 105.19 108.19 1c8k n GLY 134 Ca -0.32 0.62 -0.08 0.00 0.00 0.00 0.00 46.02 46.25 1c8k n GLY 134 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1c8k h GLY 135 N 0.00 0.09 0.98 -0.02 0.00 -1.98 -0.78 103.07 101.36 1c8k h GLY 135 Ca 0.00 0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.46 1c8k h GLY 135 CO 0.00 -0.13 0.25 -2.00 0.00 0.00 0.00 176.54 174.66 1c8k h LEU 136 N -0.08 0.52 -0.56 3.11 6.46 -1.98 0.11 115.31 122.88 1c8k h LEU 136 Ca 0.12 -0.06 -0.15 0.00 -0.12 0.00 0.00 57.88 57.67 1c8k h LEU 136 Cb 0.26 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.05 1c8k h LEU 136 CO -0.28 0.43 -0.50 1.23 -0.62 0.00 0.00 178.44 178.70 1c8k h GLY 137 N 0.57 0.62 1.66 3.75 0.00 -1.77 -2.90 103.07 105.00 1c8k h GLY 137 Ca 0.15 -0.69 -0.14 0.00 0.00 0.00 0.00 47.33 46.66 1c8k h GLY 137 CO -0.03 0.62 -0.51 -0.09 0.00 0.00 0.00 176.54 176.53 1c8k h ARG 138 N 0.45 0.36 -0.46 4.80 1.12 -0.96 0.06 114.38 119.75 1c8k h ARG 138 Ca 0.02 -0.21 -0.01 0.00 -1.11 0.00 0.00 59.98 58.66 1c8k h ARG 138 Cb 1.03 0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 30.99 1c8k h ARG 138 CO 0.10 0.79 0.24 1.25 -3.11 0.00 0.00 179.97 179.24 1c8k h LEU 139 N 0.28 0.59 -0.93 3.80 5.85 -0.87 -1.09 115.31 122.93 1c8k h LEU 139 Ca 0.01 -0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.68 1c8k h LEU 139 Cb 1.00 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.82 1c8k h LEU 139 CO 0.09 0.53 0.59 0.00 -0.34 0.00 0.00 178.44 179.30 1c8k h ALA 140 N 1.08 1.28 -0.31 1.25 0.00 -1.41 0.99 119.26 122.14 1c8k h ALA 140 Ca 0.16 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1c8k h ALA 140 Cb 0.08 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1c8k h ALA 140 CO -0.02 0.38 0.03 0.00 0.00 0.00 0.00 179.25 179.63 1c8k h ALA 141 N 1.42 0.41 -0.74 0.00 0.00 -1.19 -1.43 119.26 117.74 1c8k h ALA 141 Ca 0.40 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1c8k h ALA 141 Cb 0.14 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1c8k h ALA 141 CO -0.17 0.13 0.24 0.00 0.00 0.00 0.00 179.25 179.45 1c8k h PHE 143 N 1.09 0.92 -0.55 0.00 -1.00 -0.65 -1.64 116.94 115.12 1c8k h PHE 143 Ca 0.24 -0.02 0.03 0.00 2.81 0.00 0.00 57.97 61.02 1c8k h PHE 143 Cb 0.30 -0.29 -0.04 0.00 3.61 0.00 0.00 35.95 39.53 1c8k h PHE 143 CO 0.02 0.66 0.32 -0.07 -1.61 0.00 0.00 178.31 177.64 1c8k h LEU 144 N 0.92 0.52 -0.44 1.54 4.07 -0.98 0.84 115.31 121.77 1c8k h LEU 144 Ca 0.24 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.21 1c8k h LEU 144 Cb 0.04 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 41.66 1c8k h LEU 144 CO -0.04 0.36 0.28 -0.78 -1.08 0.00 0.00 178.44 177.18 1c8k h ASP 145 N 0.64 0.52 -0.35 -0.43 1.82 -1.17 -2.54 116.42 114.91 1c8k h ASP 145 Ca 0.23 -0.04 -0.12 0.00 -0.39 0.00 0.00 57.03 56.71 1c8k h ASP 145 Cb 0.05 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 39.91 1c8k h ASP 145 CO -0.11 0.40 -0.23 0.28 -1.61 0.00 0.00 179.24 177.98 1c8k h SER 146 N 0.59 0.87 -0.49 2.28 0.02 -0.77 -1.66 113.55 114.39 1c8k h SER 146 Ca 0.16 -0.32 -0.04 0.00 -0.84 0.00 0.00 61.79 60.75 1c8k h SER 146 Cb -0.03 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.24 1c8k h SER 146 CO -0.03 1.06 0.18 0.24 -1.14 0.00 0.00 176.83 177.14 1c8k h MET 147 N 0.74 0.79 -0.16 3.45 2.86 -0.71 0.86 114.93 122.75 1c8k h MET 147 Ca 0.10 -0.13 -0.14 0.00 -2.06 0.00 0.00 59.70 57.46 1c8k h MET 147 Cb 0.76 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.29 1c8k h MET 147 CO 0.06 0.67 -0.46 0.00 1.06 0.00 0.00 176.91 178.25 1c8k h ALA 148 N 1.43 0.27 0.00 6.32 0.00 -1.30 -0.21 119.26 125.77 1c8k h ALA 148 Ca 0.18 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 1c8k h ALA 148 Cb 0.20 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1c8k h ALA 148 CO -0.01 0.42 -0.20 1.15 0.00 0.00 0.00 179.25 180.60 1c8k h THR 149 N 0.25 0.86 -0.59 0.00 2.02 -0.96 -1.92 112.91 112.58 1c8k h THR 149 Ca -0.01 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 66.39 1c8k h THR 149 Cb 1.07 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.94 1c8k h THR 149 CO 0.10 0.20 0.00 0.18 0.37 0.00 0.00 175.52 176.37 1c8k n LEU 150 N -3.88 4.08 -3.80 2.58 4.77 0.27 -4.71 117.00 116.31 1c8k n LEU 150 Ca -0.02 -2.06 -0.27 0.00 -0.03 0.00 0.00 56.01 53.63 1c8k n LEU 150 Cb 0.29 -0.52 0.04 0.00 -2.33 0.00 0.00 43.42 40.91 1c8k n LEU 150 CO 0.34 0.75 0.13 0.61 -1.33 0.00 0.00 177.39 177.88 1c8k n GLY 151 N 1.14 -0.48 3.87 -0.72 0.00 -0.72 -1.38 105.19 106.90 1c8k n GLY 151 Ca 0.22 0.20 -0.35 0.00 0.00 0.00 0.00 46.02 46.10 1c8k n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1c8k s LEU 152 N -7.20 4.37 -1.36 0.99 1.43 -0.12 -4.68 118.68 112.12 1c8k s LEU 152 Ca 0.55 0.68 -0.15 0.00 -1.03 0.00 0.00 54.13 54.18 1c8k s LEU 152 Cb -0.27 -2.76 0.07 0.00 0.03 0.00 0.00 46.19 43.26 1c8k s LEU 152 CO 0.80 0.24 1.94 0.00 0.23 0.00 0.00 176.35 179.56 1c8k n ALA 153 N 1.14 4.55 -2.63 4.21 0.00 -1.26 -4.67 120.51 121.84 1c8k n ALA 153 Ca -0.11 -3.92 -0.31 0.00 0.00 0.00 0.00 53.44 49.11 1c8k n ALA 153 Cb 0.53 -3.51 -0.09 0.00 0.00 0.00 0.00 19.45 16.37 1c8k n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1c8k s ALA 154 N 3.38 3.11 -0.06 0.00 0.00 -1.26 -1.35 121.76 125.59 1c8k s ALA 154 Ca 0.49 -1.07 0.02 0.00 0.00 0.00 0.00 51.96 51.40 1c8k s ALA 154 Cb 0.08 -1.13 0.01 0.00 0.00 0.00 0.00 23.12 22.08 1c8k s ALA 154 CO -0.00 0.65 -0.11 0.71 0.00 0.00 0.00 175.76 177.00 1c8k s TYR 155 N -1.13 1.31 -0.15 0.00 1.51 0.23 -4.09 117.35 115.04 1c8k s TYR 155 Ca 0.20 -0.45 -0.15 0.00 -1.01 0.00 0.00 57.07 55.66 1c8k s TYR 155 Cb -0.11 -0.97 -0.04 0.00 -0.11 0.00 0.00 41.96 40.72 1c8k s TYR 155 CO 0.12 -0.24 0.36 0.20 -1.11 0.00 0.00 175.55 174.88 1c8k s GLY 156 N 0.61 2.26 -0.11 0.71 0.00 -0.90 -1.12 107.32 108.78 1c8k s GLY 156 Ca -0.12 -0.37 0.03 0.00 0.00 0.00 0.00 44.72 44.26 1c8k s GLY 156 CO 0.03 0.57 -0.20 -0.19 0.00 0.00 0.00 173.10 173.31 1c8k s TYR 157 N 0.57 2.28 0.00 1.90 2.02 -0.74 -0.12 117.35 123.26 1c8k s TYR 157 Ca 0.20 -1.01 0.00 0.00 -0.37 0.00 0.00 57.07 55.89 1c8k s TYR 157 Cb -0.14 -1.57 0.00 0.00 -0.40 0.00 0.00 41.96 39.85 1c8k s TYR 157 CO 0.06 -0.45 0.00 0.41 -1.57 0.00 0.00 175.55 174.00 1c8k n GLY 158 N 3.84 3.74 3.39 0.71 0.00 -0.74 -2.38 105.19 113.75 1c8k n GLY 158 Ca -0.20 -0.84 -0.32 0.00 0.00 0.00 0.00 46.02 44.66 1c8k n GLY 158 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1c8k s ILE 159 N -1.71 2.67 -0.92 -0.61 1.01 -1.26 -1.17 121.20 119.20 1c8k s ILE 159 Ca 0.00 -0.86 -0.17 0.00 0.00 0.00 0.00 60.65 59.62 1c8k s ILE 159 Cb 0.00 -2.02 0.16 0.00 0.01 0.00 0.00 42.46 40.61 1c8k s ILE 159 CO 0.00 0.58 1.05 -0.60 0.00 0.00 0.00 174.94 175.96 1c8k s ARG 160 N -0.46 3.64 0.20 2.79 3.52 0.07 -4.74 118.95 123.97 1c8k s ARG 160 Ca 0.05 -2.02 -0.30 0.00 -0.13 0.00 0.00 55.73 53.33 1c8k s ARG 160 Cb -0.12 -4.79 -0.08 0.00 -1.56 0.00 0.00 34.95 28.40 1c8k s ARG 160 CO 0.01 -1.63 1.19 0.71 -0.81 0.00 0.00 175.30 174.77 1c8k s TYR 161 N 1.87 3.43 -0.64 5.12 2.02 -1.26 -4.75 117.35 123.15 1c8k s TYR 161 Ca 0.29 1.46 0.25 0.00 -0.37 0.00 0.00 57.07 58.71 1c8k s TYR 161 Cb -0.06 -3.42 0.65 0.00 -0.40 0.00 0.00 41.96 38.73 1c8k s TYR 161 CO -0.09 -1.14 1.71 1.05 -1.57 0.00 0.00 175.55 175.51 1c8k h GLU 162 N 4.99 0.00 -4.28 -0.62 4.11 -1.21 -3.41 114.58 114.17 1c8k h GLU 162 Ca -0.45 0.00 -0.57 0.00 0.07 0.00 0.00 59.36 58.41 1c8k h GLU 162 Cb 1.21 0.00 -0.37 0.00 0.50 0.00 0.00 28.75 30.09 1c8k h GLU 162 CO 0.73 0.00 -0.80 -0.06 0.07 0.00 0.00 179.01 178.95 1c8k s PHE 163 N -3.14 1.89 0.00 2.06 0.08 -0.50 -4.28 117.98 114.09 1c8k s PHE 163 Ca 0.09 -1.21 0.00 0.00 0.12 0.00 0.00 56.93 55.94 1c8k s PHE 163 Cb 0.10 -1.40 0.00 0.00 -0.57 0.00 0.00 43.02 41.15 1c8k s PHE 163 CO 0.62 -0.65 0.00 0.41 -0.10 0.00 0.00 175.22 175.51 1c8k n GLY 164 N 4.83 0.77 3.75 4.36 0.00 -1.22 -1.99 105.19 115.68 1c8k n GLY 164 Ca -0.13 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 1c8k n GLY 164 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1c8k s ILE 165 N 0.84 2.04 0.64 -0.61 1.10 -0.18 -4.55 121.20 120.48 1c8k s ILE 165 Ca 0.00 0.04 -0.18 0.00 -0.51 0.00 0.00 60.65 60.00 1c8k s ILE 165 Cb 0.00 -3.02 -0.03 0.00 0.15 0.00 0.00 42.46 39.56 1c8k s ILE 165 CO 0.00 0.01 1.02 2.22 -2.11 0.00 0.00 174.94 176.07 1c8k n PHE 166 N 2.37 0.95 -2.91 3.50 1.16 -1.26 -4.58 117.46 116.68 1c8k n PHE 166 Ca 0.09 0.42 -0.41 0.00 -1.87 0.00 0.00 57.45 55.68 1c8k n PHE 166 Cb 0.37 -2.14 -0.04 0.00 -1.61 0.00 0.00 39.48 36.06 1c8k n PHE 166 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 1c8k s ASN 167 N -1.38 7.15 -0.13 5.98 0.01 -0.46 -4.89 114.94 121.22 1c8k s ASN 167 Ca 0.77 1.38 -0.17 0.00 -0.71 0.00 0.00 52.86 54.13 1c8k s ASN 167 Cb -0.39 -2.48 -0.04 0.00 0.41 0.00 0.00 41.25 38.75 1c8k s ASN 167 CO 0.46 -0.16 0.45 -1.58 -1.51 0.00 0.00 177.10 174.76 1c8k s GLN 168 N 0.82 4.32 0.01 -0.60 0.74 -1.26 -2.23 119.66 121.46 1c8k s GLN 168 Ca 0.43 0.39 0.08 0.00 0.05 0.00 0.00 55.36 56.31 1c8k s GLN 168 Cb -0.19 -3.44 -0.02 0.00 1.10 0.00 0.00 33.01 30.46 1c8k s GLN 168 CO 0.22 0.16 -0.25 0.15 -0.55 0.00 0.00 175.29 175.02 1c8k s LYS 169 N 0.63 1.92 -0.32 1.67 -0.14 -0.08 -3.84 119.74 119.58 1c8k s LYS 169 Ca 0.24 -0.97 -0.08 0.00 -1.36 0.00 0.00 55.97 53.80 1c8k s LYS 169 Cb -0.15 -1.95 0.02 0.00 -1.68 0.00 0.00 37.83 34.07 1c8k s LYS 169 CO 0.09 0.52 0.13 0.42 -0.76 0.00 0.00 175.35 175.75 1c8k s ILE 170 N -0.67 4.18 -0.19 2.17 -1.09 -1.26 0.11 121.20 124.45 1c8k s ILE 170 Ca 0.10 -0.77 -0.01 0.00 -2.23 0.00 0.00 60.65 57.74 1c8k s ILE 170 Cb -0.10 -3.24 0.01 0.00 -1.58 0.00 0.00 42.46 37.55 1c8k s ILE 170 CO 0.00 -0.05 -0.13 0.00 -1.23 0.00 0.00 174.94 173.53 1c8k n GLY 172 N 4.59 0.29 2.05 0.00 0.00 -1.26 -0.97 105.19 109.89 1c8k n GLY 172 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1c8k n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c8k n GLY 173 N -0.80 1.38 3.84 -0.02 0.00 -1.26 -5.04 105.19 103.29 1c8k n GLY 173 Ca -0.23 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 1c8k n GLY 173 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1c8k s TRP 174 N -3.06 3.28 0.08 1.61 0.52 -0.14 -3.93 118.94 117.30 1c8k s TRP 174 Ca 0.00 0.06 -0.30 0.00 0.02 0.00 0.00 56.10 55.88 1c8k s TRP 174 Cb 0.00 -1.60 -0.05 0.00 -1.15 0.00 0.00 33.47 30.67 1c8k s TRP 174 CO 0.00 0.53 0.98 -1.14 0.02 0.00 0.00 176.95 177.34 1c8k s GLN 175 N -2.93 4.64 -0.04 4.98 0.74 -1.26 0.32 119.66 126.11 1c8k s GLN 175 Ca 0.32 1.47 0.07 0.00 0.05 0.00 0.00 55.36 57.27 1c8k s GLN 175 Cb -0.11 -3.40 -0.02 0.00 1.10 0.00 0.00 33.01 30.59 1c8k s GLN 175 CO 0.25 0.11 -0.25 -1.64 -0.55 0.00 0.00 175.29 173.21 1c8k s MET 176 N 0.33 2.35 -0.05 1.67 -1.94 0.31 -4.89 119.30 117.08 1c8k s MET 176 Ca 0.49 -0.90 -0.02 0.00 -1.71 0.00 0.00 55.69 53.55 1c8k s MET 176 Cb -0.23 -2.12 -0.04 0.00 2.01 0.00 0.00 34.83 34.45 1c8k s MET 176 CO 0.30 0.48 0.07 -1.21 -0.01 0.00 0.00 175.02 174.64 1c8k s GLU 177 N -0.40 3.11 -0.07 2.03 8.01 -1.26 -0.90 118.70 129.21 1c8k s GLU 177 Ca 0.04 -0.39 -0.06 0.00 0.01 0.00 0.00 54.97 54.57 1c8k s GLU 177 Cb -0.12 -2.90 0.02 0.00 -4.31 0.00 0.00 34.13 26.82 1c8k s GLU 177 CO 0.01 0.69 0.19 -1.83 0.01 0.00 0.00 175.26 174.33 1c8k s GLU 178 N -1.31 0.20 0.20 1.61 -1.05 -0.95 -4.99 118.70 112.41 1c8k s GLU 178 Ca 0.18 0.29 -0.31 0.00 -0.15 0.00 0.00 54.97 54.98 1c8k s GLU 178 Cb -0.12 0.06 -0.16 0.00 -0.44 0.00 0.00 34.13 33.47 1c8k s GLU 178 CO 0.08 -0.05 0.99 0.00 0.95 0.00 0.00 175.26 177.23 1c8k n ALA 179 N 3.20 -1.25 -3.24 -0.84 0.00 -1.26 -1.35 120.51 115.77 1c8k n ALA 179 Ca -0.15 0.45 -0.45 0.00 0.00 0.00 0.00 53.44 53.29 1c8k n ALA 179 Cb 0.58 -1.92 -0.01 0.00 0.00 0.00 0.00 19.45 18.09 1c8k n ALA 179 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1c8k s ASP 180 N -0.34 7.09 -1.53 0.00 2.15 -1.26 -4.66 116.67 118.11 1c8k s ASP 180 Ca 0.69 -3.14 -0.11 0.00 0.43 0.00 0.00 52.55 50.41 1c8k s ASP 180 Cb -0.86 -2.26 -0.02 0.00 -0.30 0.00 0.00 42.92 39.49 1c8k s ASP 180 CO 0.55 -0.50 2.62 -0.67 -0.17 0.00 0.00 175.17 177.01 1c8k n ASP 181 N 3.83 6.94 0.13 -0.34 -0.08 -1.26 -3.43 116.55 122.35 1c8k n ASP 181 Ca 0.24 -2.74 0.10 0.00 -1.51 0.00 0.00 54.79 50.88 1c8k n ASP 181 Cb 0.43 -1.57 0.50 0.00 2.34 0.00 0.00 41.12 42.81 1c8k n ASP 181 CO 0.00 0.00 0.00 -2.67 0.12 0.00 0.00 177.20 174.65 1c8k n TRP 182 N 4.24 0.67 1.04 -0.67 4.27 -1.26 -2.01 117.44 123.72 1c8k n TRP 182 Ca 0.67 0.32 0.12 0.00 -3.89 0.00 0.00 57.50 54.71 1c8k n TRP 182 Cb 0.29 -1.01 0.08 0.00 -1.36 0.00 0.00 31.31 29.32 1c8k n TRP 182 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 1c8k n LEU 183 N -2.16 2.31 -0.34 5.67 4.77 -1.26 -4.60 117.00 121.38 1c8k n LEU 183 Ca 0.00 -0.81 0.05 0.00 -0.03 0.00 0.00 56.01 55.22 1c8k n LEU 183 Cb 0.10 -0.01 0.12 0.00 -2.33 0.00 0.00 43.42 41.30 1c8k n LEU 183 CO 0.12 0.41 0.62 -1.14 -1.33 0.00 0.00 177.39 176.06 1c8k n ARG 184 N 0.46 -0.10 -0.26 3.23 0.63 -0.85 0.16 116.66 119.93 1c8k n ARG 184 Ca 0.12 1.47 0.11 0.00 -0.92 0.00 0.00 57.85 58.63 1c8k n ARG 184 Cb 0.51 -2.20 0.27 0.00 0.45 0.00 0.00 32.46 31.49 1c8k n ARG 184 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1c8k n TYR 185 N -5.52 0.69 0.00 -0.14 4.02 -1.26 -5.06 117.16 109.89 1c8k n TYR 185 Ca 0.14 -0.35 0.00 0.00 -0.01 0.00 0.00 57.90 57.69 1c8k n TYR 185 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.78 1c8k n TYR 185 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1c8k n GLY 186 N 1.52 0.67 3.02 2.72 0.00 0.12 -4.96 105.19 108.29 1c8k n GLY 186 Ca 0.21 -1.73 -0.31 0.00 0.00 0.00 0.00 46.02 44.19 1c8k n GLY 186 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1c8k s ASN 187 N -1.22 4.63 0.38 1.61 2.47 -1.26 -4.87 114.94 116.68 1c8k s ASN 187 Ca 0.00 -1.90 0.27 0.00 0.42 0.00 0.00 52.86 51.65 1c8k s ASN 187 Cb 0.00 -1.57 1.29 0.00 -1.45 0.00 0.00 41.25 39.53 1c8k s ASN 187 CO 0.00 -0.32 1.83 1.55 -3.72 0.00 0.00 177.10 176.43 1c8k h PRO 188 N 7.68 0.00 0.08 0.43 0.13 -1.99 -3.23 132.00 135.11 1c8k h PRO 188 Ca -0.09 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.75 1c8k h PRO 188 Cb 1.03 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.14 1c8k h PRO 188 CO 0.50 0.00 -1.46 -1.49 -0.23 0.00 0.00 178.00 175.32 1c8k h TRP 189 N 0.00 0.32 -4.27 1.56 4.06 -1.95 -3.48 115.95 112.20 1c8k h TRP 189 Ca 0.00 -0.24 -0.51 0.00 2.06 0.00 0.00 58.89 60.21 1c8k h TRP 189 Cb 0.23 -0.01 0.06 0.00 -1.00 0.00 0.00 29.16 28.43 1c8k h TRP 189 CO 0.00 1.27 0.38 -1.83 -3.56 0.00 0.00 178.44 174.70 1c8k s GLU 190 N -2.63 3.57 -0.21 0.49 -1.05 -1.22 -4.42 118.70 113.23 1c8k s GLU 190 Ca -0.07 0.67 -0.02 0.00 -0.15 0.00 0.00 54.97 55.41 1c8k s GLU 190 Cb 0.07 -2.11 0.06 0.00 -0.44 0.00 0.00 34.13 31.71 1c8k s GLU 190 CO 0.84 -0.54 0.01 0.21 0.95 0.00 0.00 175.26 176.73 1c8k s LYS 191 N -5.13 0.92 0.36 -4.83 2.47 0.47 -4.94 119.74 109.07 1c8k s LYS 191 Ca 0.54 -0.59 -0.28 0.00 -1.56 0.00 0.00 55.97 54.08 1c8k s LYS 191 Cb -0.11 -2.25 -0.10 0.00 -1.46 0.00 0.00 37.83 33.91 1c8k s LYS 191 CO 0.53 -0.63 1.38 0.00 0.16 0.00 0.00 175.35 176.78 1c8k s ALA 192 N 1.73 3.48 -0.50 3.13 0.00 -1.26 -1.23 121.76 127.11 1c8k s ALA 192 Ca -0.02 1.38 0.08 0.00 0.00 0.00 0.00 51.96 53.39 1c8k s ALA 192 Cb -0.18 -3.53 0.30 0.00 0.00 0.00 0.00 23.12 19.71 1c8k s ALA 192 CO -0.08 -0.84 0.75 0.54 0.00 0.00 0.00 175.76 176.14 1c8k n ARG 193 N 0.55 1.95 0.28 0.00 5.12 -0.18 -4.91 116.66 119.46 1c8k n ARG 193 Ca 0.01 -4.09 0.18 0.00 -1.93 0.00 0.00 57.85 52.02 1c8k n ARG 193 Cb 0.41 -1.89 0.92 0.00 -1.16 0.00 0.00 32.46 30.74 1c8k n ARG 193 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1c8k h PRO 194 N 3.49 0.00 0.00 5.56 0.13 -1.93 -0.66 132.00 138.59 1c8k h PRO 194 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1c8k h PRO 194 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1c8k h PRO 194 CO 0.67 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.59 1c8k n GLU 195 N -3.31 0.09 -0.52 0.86 0.00 -1.26 -2.65 120.64 113.85 1c8k n GLU 195 Ca -0.00 0.18 0.04 0.00 0.00 0.00 0.00 57.16 57.38 1c8k n GLU 195 Cb 0.30 -1.50 0.20 0.00 0.00 0.00 0.00 31.44 30.44 1c8k n GLU 195 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1c8k n PHE 196 N -1.42 0.58 -1.95 -1.84 3.72 -0.25 -5.04 117.46 111.27 1c8k n PHE 196 Ca 0.06 -1.28 -0.41 0.00 -0.05 0.00 0.00 57.45 55.76 1c8k n PHE 196 Cb 0.17 -0.33 -0.01 0.00 -0.94 0.00 0.00 39.48 38.38 1c8k n PHE 196 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1c8k s THR 197 N -3.07 2.36 0.10 4.37 2.01 -1.08 -4.62 115.64 115.71 1c8k s THR 197 Ca 0.40 0.36 0.08 0.00 0.31 0.00 0.00 61.69 62.84 1c8k s THR 197 Cb 0.36 -3.23 -0.03 0.00 0.01 0.00 0.00 72.50 69.60 1c8k s THR 197 CO 0.01 0.09 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.07 1c8k s LEU 198 N -1.94 2.31 0.09 4.42 1.02 0.06 -4.93 118.68 119.71 1c8k s LEU 198 Ca 0.51 -0.69 -0.12 0.00 0.02 0.00 0.00 54.13 53.85 1c8k s LEU 198 Cb -0.43 -0.82 -0.06 0.00 0.02 0.00 0.00 46.19 44.90 1c8k s LEU 198 CO 0.58 0.03 0.45 -2.16 0.02 0.00 0.00 176.35 175.27 1c8k s PRO 199 N -1.96 3.85 -0.03 1.29 0.04 -1.26 0.99 135.00 137.92 1c8k s PRO 199 Ca 0.06 0.30 0.05 0.00 0.04 0.00 0.00 61.00 61.45 1c8k s PRO 199 Cb -0.10 -3.00 -0.01 0.00 0.04 0.00 0.00 34.50 31.43 1c8k s PRO 199 CO 0.04 0.55 -0.19 0.08 0.04 0.00 0.00 177.00 177.52 1c8k s VAL 200 N -1.38 1.55 0.06 -0.36 1.01 0.13 -4.85 120.40 116.56 1c8k s VAL 200 Ca 0.33 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.52 1c8k s VAL 200 Cb -0.15 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 1c8k s VAL 200 CO 0.18 0.44 0.09 -1.00 0.00 0.00 0.00 175.10 174.81 1c8k s HIS 201 N -0.22 3.23 0.03 5.22 3.76 -1.26 -1.18 115.29 124.87 1c8k s HIS 201 Ca 0.02 0.11 -0.01 0.00 -0.15 0.00 0.00 55.06 55.03 1c8k s HIS 201 Cb -0.10 -1.65 -0.03 0.00 1.11 0.00 0.00 32.58 31.91 1c8k s HIS 201 CO 0.01 0.53 -0.01 -0.06 -0.85 0.00 0.00 174.74 174.36 1c8k s PHE 202 N -1.36 0.35 0.00 1.40 0.08 -0.35 -4.95 117.98 113.15 1c8k s PHE 202 Ca 0.28 -0.73 0.00 0.00 0.12 0.00 0.00 56.93 56.61 1c8k s PHE 202 Cb -0.12 -0.26 0.00 0.00 -0.57 0.00 0.00 43.02 42.07 1c8k s PHE 202 CO 0.21 -0.29 0.00 0.66 -0.10 0.00 0.00 175.22 175.70 1c8k n TYR 203 N 0.93 0.00 -4.24 0.36 4.01 0.11 -0.26 117.16 118.06 1c8k n TYR 203 Ca -0.20 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.54 1c8k n TYR 203 Cb 0.58 0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.63 1c8k n TYR 203 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1c8k n GLY 204 N 0.00 -0.87 3.67 2.72 0.00 -1.17 -4.62 105.19 104.93 1c8k n GLY 204 Ca 0.00 -1.18 -0.08 0.00 0.00 0.00 0.00 46.02 44.75 1c8k n GLY 204 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1c8k s ARG 205 N 0.00 1.62 -0.18 1.61 1.70 0.16 -4.88 118.95 118.98 1c8k s ARG 205 Ca 0.00 -1.16 -0.05 0.00 -0.47 0.00 0.00 55.73 54.05 1c8k s ARG 205 Cb 0.00 0.52 -0.03 0.00 -0.57 0.00 0.00 34.95 34.87 1c8k s ARG 205 CO 0.00 -0.70 0.00 0.08 -1.08 0.00 0.00 175.30 173.60 1c8k s VAL 206 N -3.98 4.08 -0.17 4.99 1.01 -1.26 0.44 120.40 125.51 1c8k s VAL 206 Ca 0.19 -0.28 -0.05 0.00 0.00 0.00 0.00 61.98 61.84 1c8k s VAL 206 Cb -0.02 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 1c8k s VAL 206 CO 0.08 0.45 -0.01 -1.61 0.00 0.00 0.00 175.10 174.01 1c8k s GLU 207 N 0.72 3.72 -0.50 2.72 2.02 0.42 -4.91 118.70 122.88 1c8k s GLU 207 Ca 0.00 -0.49 -0.13 0.00 0.02 0.00 0.00 54.97 54.37 1c8k s GLU 207 Cb -0.14 -3.00 0.11 0.00 0.10 0.00 0.00 34.13 31.20 1c8k s GLU 207 CO 0.02 0.20 0.42 -1.01 0.02 0.00 0.00 175.26 174.92 1c8k s HIS 208 N 0.49 3.31 -0.05 1.61 3.76 -1.26 0.58 115.29 123.73 1c8k s HIS 208 Ca -0.02 -1.43 0.05 0.00 -0.15 0.00 0.00 55.06 53.51 1c8k s HIS 208 Cb -0.14 -3.56 -0.01 0.00 1.11 0.00 0.00 32.58 29.99 1c8k s HIS 208 CO 0.02 -0.97 -0.21 0.95 -0.85 0.00 0.00 174.74 173.69 1c8k s THR 209 N 1.52 1.72 0.00 1.30 -4.23 -0.56 -4.98 115.64 110.42 1c8k s THR 209 Ca 0.04 -0.89 0.00 0.00 -1.18 0.00 0.00 61.69 59.66 1c8k s THR 209 Cb -0.28 -1.46 0.00 0.00 1.34 0.00 0.00 72.50 72.10 1c8k s THR 209 CO 0.02 0.49 0.00 -1.20 -0.54 0.00 0.00 174.62 173.39 1c8k n SER 210 N 3.00 0.00 -3.46 3.99 7.64 -1.26 -1.24 113.62 122.28 1c8k n SER 210 Ca -0.17 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.33 1c8k n SER 210 Cb 0.52 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.73 1c8k n SER 210 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1c8k n GLN 211 N 0.00 4.91 0.00 1.43 -0.06 -1.26 -5.02 117.38 117.37 1c8k n GLN 211 Ca 0.00 -4.70 0.00 0.00 -2.00 0.00 0.00 57.00 50.30 1c8k n GLN 211 Cb 0.00 -2.41 0.00 0.00 -4.06 0.00 0.00 30.24 23.77 1c8k n GLN 211 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1c8k n GLY 212 N -0.11 2.71 3.85 1.69 0.00 -0.37 -5.07 105.19 107.89 1c8k n GLY 212 Ca 0.43 -2.03 -0.32 0.00 0.00 0.00 0.00 46.02 44.10 1c8k n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c8k s ALA 213 N -2.54 3.24 -0.03 4.61 0.00 -1.26 -1.49 121.76 124.29 1c8k s ALA 213 Ca 0.00 0.02 0.02 0.00 0.00 0.00 0.00 51.96 52.00 1c8k s ALA 213 Cb 0.00 -2.86 0.01 0.00 0.00 0.00 0.00 23.12 20.27 1c8k s ALA 213 CO 0.00 0.06 -0.06 0.15 0.00 0.00 0.00 175.76 175.91 1c8k s LYS 214 N -3.57 0.79 -0.36 0.00 1.02 0.20 -4.91 119.74 112.91 1c8k s LYS 214 Ca 0.55 -0.19 -0.19 0.00 0.02 0.00 0.00 55.97 56.16 1c8k s LYS 214 Cb -0.10 -0.77 0.00 0.00 -0.52 0.00 0.00 37.83 36.44 1c8k s LYS 214 CO 0.25 0.03 0.58 -0.46 -0.92 0.00 0.00 175.35 174.83 1c8k s TRP 215 N 0.45 3.16 0.30 3.18 -0.00 -1.26 -0.44 118.94 124.33 1c8k s TRP 215 Ca -0.06 0.22 0.09 0.00 -0.00 0.00 0.00 56.10 56.35 1c8k s TRP 215 Cb -0.10 -3.06 -0.06 0.00 -0.00 0.00 0.00 33.47 30.25 1c8k s TRP 215 CO 0.00 -0.61 -0.10 0.08 -0.00 0.00 0.00 176.95 176.32 1c8k s VAL 216 N 2.57 2.01 -1.39 5.86 1.01 0.17 -4.81 120.40 125.82 1c8k s VAL 216 Ca 0.21 -2.21 -0.04 0.00 0.00 0.00 0.00 61.98 59.94 1c8k s VAL 216 Cb -0.15 -2.47 0.03 0.00 0.00 0.00 0.00 36.38 33.79 1c8k s VAL 216 CO 0.14 -0.30 0.75 0.47 0.00 0.00 0.00 175.10 176.16 1c8k n ASP 217 N -0.65 -2.14 -4.92 3.32 8.00 -1.26 0.40 116.55 119.29 1c8k n ASP 217 Ca -0.05 -0.83 -0.26 0.00 0.71 0.00 0.00 54.79 54.36 1c8k n ASP 217 Cb 0.63 -3.87 -0.01 0.00 -0.02 0.00 0.00 41.12 37.85 1c8k n ASP 217 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1c8k s THR 218 N -3.59 5.02 -0.11 -3.53 -4.23 -1.26 -3.03 115.64 104.90 1c8k s THR 218 Ca 0.21 -0.14 -0.13 0.00 -1.18 0.00 0.00 61.69 60.44 1c8k s THR 218 Cb -0.10 -3.85 -0.05 0.00 1.34 0.00 0.00 72.50 69.84 1c8k s THR 218 CO 0.83 -0.66 0.31 -1.58 -0.54 0.00 0.00 174.62 172.98 1c8k s GLN 219 N -4.42 4.07 -0.14 3.99 0.74 0.64 -4.88 119.66 119.65 1c8k s GLN 219 Ca 0.43 0.17 -0.06 0.00 0.05 0.00 0.00 55.36 55.95 1c8k s GLN 219 Cb -0.10 -3.35 -0.04 0.00 1.10 0.00 0.00 33.01 30.63 1c8k s GLN 219 CO 0.39 0.41 0.07 0.08 -0.55 0.00 0.00 175.29 175.69 1c8k s VAL 220 N -0.09 4.87 -0.04 1.34 1.01 -1.26 -1.21 120.40 125.03 1c8k s VAL 220 Ca 0.19 -0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.18 1c8k s VAL 220 Cb -0.14 -3.14 -0.00 0.00 0.00 0.00 0.00 36.38 33.10 1c8k s VAL 220 CO 0.07 0.54 -0.14 -0.69 0.00 0.00 0.00 175.10 174.88 1c8k s VAL 221 N -0.35 1.20 0.13 2.92 1.01 -0.33 -4.45 120.40 120.53 1c8k s VAL 221 Ca 0.09 -0.58 -0.12 0.00 0.00 0.00 0.00 61.98 61.37 1c8k s VAL 221 Cb -0.12 -1.04 -0.06 0.00 0.00 0.00 0.00 36.38 35.15 1c8k s VAL 221 CO 0.02 0.35 0.49 -0.76 0.00 0.00 0.00 175.10 175.20 1c8k s LEU 222 N 0.13 4.32 -0.30 3.92 1.43 0.61 0.18 118.68 128.97 1c8k s LEU 222 Ca -0.04 0.95 -0.03 0.00 -1.03 0.00 0.00 54.13 53.97 1c8k s LEU 222 Cb -0.11 -3.21 0.04 0.00 0.03 0.00 0.00 46.19 42.94 1c8k s LEU 222 CO 0.02 0.11 0.02 0.00 0.23 0.00 0.00 176.35 176.72 1c8k s ALA 223 N -1.48 2.86 -0.25 4.21 0.00 0.28 -0.86 121.76 126.52 1c8k s ALA 223 Ca 0.37 -1.66 -0.10 0.00 0.00 0.00 0.00 51.96 50.57 1c8k s ALA 223 Cb -0.14 -1.97 -0.05 0.00 0.00 0.00 0.00 23.12 20.96 1c8k s ALA 223 CO 0.19 -1.15 0.15 1.41 0.00 0.00 0.00 175.76 176.37 1c8k s MET 224 N 1.32 3.99 0.30 0.00 1.75 0.42 -0.77 119.30 126.32 1c8k s MET 224 Ca -0.03 -0.31 -0.17 0.00 -1.25 0.00 0.00 55.69 53.94 1c8k s MET 224 Cb -0.19 -3.53 -0.09 0.00 2.84 0.00 0.00 34.83 33.86 1c8k s MET 224 CO -0.01 -0.02 0.75 -1.25 -0.65 0.00 0.00 175.02 173.85 1c8k s PRO 225 N 1.26 4.10 -0.08 4.11 0.04 -1.26 -0.22 135.00 142.95 1c8k s PRO 225 Ca 0.07 0.77 0.01 0.00 0.04 0.00 0.00 61.00 61.89 1c8k s PRO 225 Cb -0.14 -2.55 0.02 0.00 0.04 0.00 0.00 34.50 31.86 1c8k s PRO 225 CO 0.06 0.22 -0.10 0.71 0.04 0.00 0.00 177.00 177.93 1c8k s TYR 226 N -1.85 1.45 -0.13 0.56 1.51 0.01 -1.02 117.35 117.88 1c8k s TYR 226 Ca 0.51 -0.61 -0.04 0.00 -1.01 0.00 0.00 57.07 55.92 1c8k s TYR 226 Cb -0.12 -1.12 -0.04 0.00 -0.11 0.00 0.00 41.96 40.57 1c8k s TYR 226 CO 0.18 -0.37 0.03 -0.51 -1.11 0.00 0.00 175.55 173.77 1c8k s ASP 227 N 1.09 5.43 -0.08 2.29 1.01 -0.36 -1.27 116.67 124.78 1c8k s ASP 227 Ca -0.07 0.13 0.04 0.00 0.71 0.00 0.00 52.55 53.37 1c8k s ASP 227 Cb -0.14 -1.73 0.00 0.00 1.01 0.00 0.00 42.92 42.06 1c8k s ASP 227 CO -0.01 0.30 -0.21 -0.89 0.21 0.00 0.00 175.17 174.56 1c8k s THR 228 N -0.38 1.82 0.39 -1.27 2.01 -0.28 -0.39 115.64 117.54 1c8k s THR 228 Ca 0.08 -0.89 -0.25 0.00 0.31 0.00 0.00 61.69 60.94 1c8k s THR 228 Cb -0.12 -1.57 -0.09 0.00 0.01 0.00 0.00 72.50 70.73 1c8k s THR 228 CO 0.02 0.51 1.09 -2.16 -0.69 0.00 0.00 174.62 173.39 1c8k s PRO 229 N 0.29 4.15 -0.38 4.92 0.04 -1.26 -1.08 135.00 141.67 1c8k s PRO 229 Ca -0.14 1.65 0.02 0.00 0.04 0.00 0.00 61.00 62.57 1c8k s PRO 229 Cb -0.16 -2.63 0.11 0.00 0.04 0.00 0.00 34.50 31.86 1c8k s PRO 229 CO 0.06 -0.19 0.13 0.08 0.04 0.00 0.00 177.00 177.12 1c8k s VAL 230 N -1.53 1.84 0.22 -0.36 1.01 0.13 -4.88 120.40 116.83 1c8k s VAL 230 Ca 0.57 -2.30 -0.30 0.00 0.00 0.00 0.00 61.98 59.95 1c8k s VAL 230 Cb -0.26 -2.34 -0.08 0.00 0.00 0.00 0.00 36.38 33.70 1c8k s VAL 230 CO 0.32 -0.70 1.03 -2.16 0.00 0.00 0.00 175.10 173.59 1c8k s PRO 231 N 0.80 4.71 0.69 2.72 0.04 -1.26 -0.55 135.00 142.16 1c8k s PRO 231 Ca 0.13 1.63 -0.10 0.00 0.04 0.00 0.00 61.00 62.71 1c8k s PRO 231 Cb -0.21 -3.26 0.03 0.00 0.04 0.00 0.00 34.50 31.10 1c8k s PRO 231 CO -0.10 0.28 1.05 0.20 0.04 0.00 0.00 177.00 178.48 1c8k s GLY 232 N -0.69 1.62 -0.54 0.56 0.00 0.79 -4.77 107.32 104.29 1c8k s GLY 232 Ca 0.45 -0.55 -0.28 0.00 0.00 0.00 0.00 44.72 44.34 1c8k s GLY 232 CO 0.35 -0.18 1.47 -0.47 0.00 0.00 0.00 173.10 174.27 1c8k s TYR 233 N -3.29 2.22 -0.85 1.90 5.04 -1.26 -4.12 117.35 117.00 1c8k s TYR 233 Ca 0.58 0.52 -0.03 0.00 -2.44 0.00 0.00 57.07 55.70 1c8k s TYR 233 Cb -0.11 -4.35 0.02 0.00 0.35 0.00 0.00 41.96 37.87 1c8k s TYR 233 CO 0.49 -2.05 0.12 0.54 -1.34 0.00 0.00 175.55 173.30 1c8k n ARG 234 N 8.63 -2.64 -0.02 4.97 3.00 0.20 -4.81 116.66 125.99 1c8k n ARG 234 Ca 0.14 0.41 0.01 0.00 -0.01 0.00 0.00 57.85 58.39 1c8k n ARG 234 Cb 0.49 -5.00 0.02 0.00 0.00 0.00 0.00 32.46 27.97 1c8k n ARG 234 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1c8k n ASN 235 N -1.84 1.96 -1.43 0.55 2.04 -1.26 -4.95 115.26 110.33 1c8k n ASN 235 Ca -0.07 -1.81 -0.17 0.00 -0.44 0.00 0.00 54.58 52.08 1c8k n ASN 235 Cb 0.56 -0.03 -0.06 0.00 -2.53 0.00 0.00 39.78 37.72 1c8k n ASN 235 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1c8k n ASN 236 N -0.23 -5.08 -4.76 0.53 3.02 -1.26 0.14 115.26 107.62 1c8k n ASN 236 Ca 0.02 0.35 -0.36 0.00 -0.03 0.00 0.00 54.58 54.57 1c8k n ASN 236 Cb 0.23 -4.11 -0.08 0.00 -0.61 0.00 0.00 39.78 35.22 1c8k n ASN 236 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1c8k s VAL 237 N -2.68 5.26 -0.22 2.41 1.01 -1.26 -4.65 120.40 120.27 1c8k s VAL 237 Ca 0.00 0.13 -0.02 0.00 0.00 0.00 0.00 61.98 62.08 1c8k s VAL 237 Cb 0.00 -3.35 0.07 0.00 0.00 0.00 0.00 36.38 33.10 1c8k s VAL 237 CO 0.00 0.51 0.05 -0.69 0.00 0.00 0.00 175.10 174.98 1c8k s VAL 238 N -0.17 0.56 0.78 2.92 1.01 -1.26 -0.15 120.40 124.09 1c8k s VAL 238 Ca 0.10 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.31 1c8k s VAL 238 Cb -0.12 -1.16 0.16 0.00 0.00 0.00 0.00 36.38 35.27 1c8k s VAL 238 CO 0.01 -0.33 1.07 0.20 0.00 0.00 0.00 175.10 176.05 1c8k s ASN 239 N 1.82 3.98 -0.02 3.32 0.01 0.29 -4.61 114.94 119.72 1c8k s ASN 239 Ca 0.02 -0.43 0.07 0.00 -0.71 0.00 0.00 52.86 51.81 1c8k s ASN 239 Cb -0.17 0.21 -0.02 0.00 0.41 0.00 0.00 41.25 41.68 1c8k s ASN 239 CO -0.13 -2.13 -0.22 -0.89 -1.51 0.00 0.00 177.10 172.22 1c8k s THR 240 N -3.30 1.77 -0.27 1.60 2.01 -1.26 0.21 115.64 116.41 1c8k s THR 240 Ca 0.69 -0.95 -0.03 0.00 0.31 0.00 0.00 61.69 61.72 1c8k s THR 240 Cb -0.04 -1.48 0.03 0.00 0.01 0.00 0.00 72.50 71.02 1c8k s THR 240 CO 0.46 0.50 -0.02 -0.32 -0.69 0.00 0.00 174.62 174.56 1c8k s MET 241 N -0.43 2.82 -0.30 4.92 1.75 -0.24 -2.13 119.30 125.69 1c8k s MET 241 Ca 0.06 -1.01 -0.09 0.00 -1.25 0.00 0.00 55.69 53.40 1c8k s MET 241 Cb -0.10 -3.12 -0.01 0.00 2.84 0.00 0.00 34.83 34.45 1c8k s MET 241 CO -0.00 -0.45 0.13 0.50 -0.65 0.00 0.00 175.02 174.55 1c8k s ARG 242 N 1.35 3.35 -0.16 4.11 3.52 0.83 -1.12 118.95 130.82 1c8k s ARG 242 Ca -0.00 -0.70 -0.04 0.00 -0.13 0.00 0.00 55.73 54.86 1c8k s ARG 242 Cb -0.17 -3.51 -0.03 0.00 -1.56 0.00 0.00 34.95 29.68 1c8k s ARG 242 CO -0.02 -0.39 -0.03 -0.51 -0.81 0.00 0.00 175.30 173.54 1c8k s LEU 243 N 1.60 3.29 0.08 -0.88 1.02 -0.39 -1.80 118.68 121.60 1c8k s LEU 243 Ca 0.05 -0.12 -0.18 0.00 0.02 0.00 0.00 54.13 53.90 1c8k s LEU 243 Cb -0.17 -1.80 -0.07 0.00 0.02 0.00 0.00 46.19 44.18 1c8k s LEU 243 CO 0.05 0.16 0.54 0.26 0.02 0.00 0.00 176.35 177.39 1c8k s TRP 244 N 0.42 3.75 -0.02 0.29 0.52 -0.31 -0.81 118.94 122.77 1c8k s TRP 244 Ca -0.03 1.19 0.08 0.00 0.02 0.00 0.00 56.10 57.36 1c8k s TRP 244 Cb -0.14 -2.44 -0.02 0.00 -1.15 0.00 0.00 33.47 29.72 1c8k s TRP 244 CO 0.03 0.56 -0.26 0.45 0.02 0.00 0.00 176.95 177.75 1c8k s SER 245 N -1.24 3.01 0.02 2.95 0.15 0.69 -0.75 113.70 118.52 1c8k s SER 245 Ca 0.30 -0.46 -0.25 0.00 0.70 0.00 0.00 55.95 56.24 1c8k s SER 245 Cb -0.18 -0.34 -0.05 0.00 -1.71 0.00 0.00 66.02 63.74 1c8k s SER 245 CO 0.18 0.31 0.77 0.00 1.20 0.00 0.00 173.24 175.71 1c8k s ALA 246 N -0.59 3.34 -0.01 5.45 0.00 -1.26 -0.44 121.76 128.25 1c8k s ALA 246 Ca 0.10 0.28 0.01 0.00 0.00 0.00 0.00 51.96 52.34 1c8k s ALA 246 Cb -0.10 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 20.00 1c8k s ALA 246 CO -0.01 -0.00 -0.03 0.15 0.00 0.00 0.00 175.76 175.87 1c8k s LYS 247 N 0.23 0.25 0.22 0.00 -0.14 -0.04 -4.64 119.74 115.62 1c8k s LYS 247 Ca 0.40 -0.09 -0.23 0.00 -1.36 0.00 0.00 55.97 54.68 1c8k s LYS 247 Cb -0.20 -0.26 -0.08 0.00 -1.68 0.00 0.00 37.83 35.60 1c8k s LYS 247 CO 0.22 0.05 0.79 0.00 -0.76 0.00 0.00 175.35 175.65 1c8k s ALA 248 N 0.04 3.39 0.73 5.17 0.00 -1.26 -0.29 121.76 129.54 1c8k s ALA 248 Ca 0.00 0.31 -0.12 0.00 0.00 0.00 0.00 51.96 52.16 1c8k s ALA 248 Cb -0.02 -2.94 0.04 0.00 0.00 0.00 0.00 23.12 20.19 1c8k s ALA 248 CO -0.00 0.29 1.09 -1.25 0.00 0.00 0.00 175.76 175.89 1c8k s PRO 249 N -1.64 2.46 0.00 0.00 0.04 -1.26 -4.87 135.00 129.72 1c8k s PRO 249 Ca 0.41 1.22 0.26 0.00 0.04 0.00 0.00 61.00 62.93 1c8k s PRO 249 Cb -0.20 -1.92 0.71 0.00 0.04 0.00 0.00 34.50 33.14 1c8k s PRO 249 CO 0.24 -1.49 1.55 0.09 0.04 0.00 0.00 177.00 177.43 1c8k n ASN 250 N -3.18 0.50 0.00 6.66 3.02 -1.26 -4.09 115.26 116.92 1c8k n ASN 250 Ca 0.09 -0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.38 1c8k n ASN 250 Cb 0.53 0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.79 1c8k n ASN 250 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1c8k n ASP 251 N -1.33 0.00 -0.44 6.41 5.75 -1.26 -4.51 116.55 121.18 1c8k n ASP 251 Ca 0.07 0.00 0.38 0.00 -0.01 0.00 0.00 54.79 55.24 1c8k n ASP 251 Cb 0.33 0.00 0.66 0.00 -1.03 0.00 0.00 41.12 41.08 1c8k n ASP 251 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1c8k n PHE 252 N 0.00 0.78 -0.84 2.11 3.72 -1.26 0.24 117.46 122.20 1c8k n PHE 252 Ca 0.00 0.78 -0.10 0.00 -0.05 0.00 0.00 57.45 58.09 1c8k n PHE 252 Cb 0.00 -1.21 -0.14 0.00 -0.94 0.00 0.00 39.48 37.19 1c8k n PHE 252 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1c8k n ASN 253 N -4.79 4.62 0.00 4.37 5.15 -1.26 -2.64 115.26 120.71 1c8k n ASN 253 Ca 0.40 -2.35 0.00 0.00 -0.60 0.00 0.00 54.58 52.02 1c8k n ASN 253 Cb 1.51 -1.23 0.00 0.00 -0.53 0.00 0.00 39.78 39.53 1c8k n ASN 253 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1c8k n LEU 254 N 2.48 0.00 0.22 1.20 -0.00 0.11 -4.68 117.00 116.33 1c8k n LEU 254 Ca 0.35 0.00 0.11 0.00 -0.00 0.00 0.00 56.01 56.47 1c8k n LEU 254 Cb 0.78 0.00 0.28 0.00 -0.00 0.00 0.00 43.42 44.48 1c8k n LEU 254 CO 0.12 0.00 0.79 0.50 -0.00 0.00 0.00 177.39 178.81 1c8k h LYS 255 N 0.00 0.00 -5.59 1.96 3.64 0.32 -3.40 116.57 113.50 1c8k h LYS 255 Ca 0.00 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.09 1c8k h LYS 255 Cb 0.00 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.78 1c8k h LYS 255 CO 0.00 0.10 0.83 0.34 -2.27 0.00 0.00 179.45 178.45 1c8k s ASP 256 N -6.14 5.01 1.16 4.20 -1.08 -1.08 -4.89 116.67 113.85 1c8k s ASP 256 Ca 0.05 -1.07 -0.18 0.00 -0.52 0.00 0.00 52.55 50.83 1c8k s ASP 256 Cb 0.07 -2.57 0.26 0.00 -1.46 0.00 0.00 42.92 39.21 1c8k s ASP 256 CO 0.65 -2.97 1.08 2.22 0.52 0.00 0.00 175.17 176.67 1c8k n PHE 257 N 14.45 -3.88 -0.28 -5.34 -1.74 -1.26 -4.92 117.46 114.49 1c8k n PHE 257 Ca 0.42 -0.97 0.00 0.00 -0.56 0.00 0.00 57.45 56.35 1c8k n PHE 257 Cb 0.47 -1.02 0.00 0.00 1.52 0.00 0.00 39.48 40.45 1c8k n PHE 257 CO 0.00 0.00 0.00 0.09 -0.56 0.00 0.00 176.76 176.29 1c8k n ASN 258 N -4.44 -0.37 -1.35 5.98 4.13 -1.26 -5.06 115.26 112.89 1c8k n ASN 258 Ca 0.14 0.00 0.03 0.00 1.68 0.00 0.00 54.58 56.43 1c8k n ASN 258 Cb 0.54 -0.12 -0.01 0.00 -1.54 0.00 0.00 39.78 38.64 1c8k n ASN 258 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1c8k n VAL 259 N -0.25 -2.26 0.00 2.41 0.31 -1.26 -5.03 118.33 112.26 1c8k n VAL 259 Ca 0.00 1.20 0.00 0.00 -0.01 0.00 0.00 64.34 65.53 1c8k n VAL 259 Cb 0.09 -1.97 0.00 0.00 -0.91 0.00 0.00 33.84 31.05 1c8k n VAL 259 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1c8k n GLY 260 N -2.74 1.93 0.00 2.92 0.00 -1.26 -5.09 105.19 100.96 1c8k n GLY 260 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1c8k n GLY 260 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c8k n GLY 261 N 0.00 3.40 0.15 -0.02 0.00 -1.26 -4.76 105.19 102.70 1c8k n GLY 261 Ca 0.00 -1.36 -0.12 0.00 0.00 0.00 0.00 46.02 44.54 1c8k n GLY 261 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1c8k h TYR 262 N 0.00 0.49 -0.01 1.61 3.20 -1.98 -2.48 116.97 117.79 1c8k h TYR 262 Ca 0.00 -0.12 0.01 0.00 3.14 0.00 0.00 58.73 61.76 1c8k h TYR 262 Cb 0.00 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 1c8k h TYR 262 CO 0.00 0.71 -0.04 0.82 -1.64 0.00 0.00 178.16 178.01 1c8k h ILE 263 N 0.13 0.88 -0.65 1.81 1.08 -2.00 -2.53 117.51 116.23 1c8k h ILE 263 Ca 0.05 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.60 1c8k h ILE 263 Cb 0.58 0.88 -0.07 0.00 -3.07 0.00 0.00 36.82 35.14 1c8k h ILE 263 CO 0.03 0.00 0.30 1.56 -0.69 0.00 0.00 178.15 179.35 1c8k h GLN 264 N -0.07 0.52 -0.48 2.37 1.08 -1.85 -0.61 115.11 116.08 1c8k h GLN 264 Ca 0.02 -0.03 0.07 0.00 -1.45 0.00 0.00 58.65 57.26 1c8k h GLN 264 Cb 0.10 -0.12 -0.06 0.00 -0.05 0.00 0.00 27.48 27.35 1c8k h GLN 264 CO -0.05 0.35 0.14 0.00 -0.95 0.00 0.00 178.83 178.32 1c8k h ALA 265 N 1.39 0.56 -0.58 3.87 0.00 -1.12 0.29 119.26 123.67 1c8k h ALA 265 Ca 0.31 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.23 1c8k h ALA 265 Cb 0.31 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1c8k h ALA 265 CO -0.25 -0.25 0.11 0.28 0.00 0.00 0.00 179.25 179.13 1c8k h VAL 266 N 0.30 1.25 -0.13 0.00 2.07 -0.95 -2.60 116.25 116.20 1c8k h VAL 266 Ca 0.23 -0.95 -0.07 0.00 0.82 0.00 0.00 66.70 66.73 1c8k h VAL 266 Cb 0.26 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1c8k h VAL 266 CO -0.26 0.35 -0.25 -0.07 0.02 0.00 0.00 177.57 177.36 1c8k h LEU 267 N 0.84 0.22 0.00 2.57 3.38 -0.38 -2.55 115.31 119.39 1c8k h LEU 267 Ca 0.18 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1c8k h LEU 267 Cb 0.39 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1c8k h LEU 267 CO 0.01 0.48 0.00 0.47 0.09 0.00 0.00 178.44 179.49 1c8k n ASP 268 N -4.17 0.00 0.21 -0.43 8.00 0.94 -2.85 116.55 118.26 1c8k n ASP 268 Ca -0.01 -0.55 0.06 0.00 0.71 0.00 0.00 54.79 55.00 1c8k n ASP 268 Cb 0.36 -0.04 0.48 0.00 -0.02 0.00 0.00 41.12 41.89 1c8k n ASP 268 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1c8k h ARG 269 N 0.00 0.00 -3.37 -1.24 3.08 -1.41 -3.16 114.38 108.27 1c8k h ARG 269 Ca 0.00 0.00 -0.69 0.00 0.07 0.00 0.00 59.98 59.36 1c8k h ARG 269 Cb 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1c8k h ARG 269 CO 0.00 0.28 3.50 0.09 -1.07 0.00 0.00 179.97 182.76 1c8k n ASN 270 N -3.88 6.82 0.00 7.04 3.02 -1.13 -1.93 115.26 125.20 1c8k n ASN 270 Ca -0.02 -2.71 0.00 0.00 -0.03 0.00 0.00 54.58 51.83 1c8k n ASN 270 Cb 0.36 -1.59 0.00 0.00 -0.61 0.00 0.00 39.78 37.94 1c8k n ASN 270 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1c8k n LEU 271 N 4.47 0.00 -0.00 3.41 7.94 -1.20 -4.70 117.00 126.92 1c8k n LEU 271 Ca 0.67 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 55.46 1c8k n LEU 271 Cb 0.29 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 44.11 1c8k n LEU 271 CO 0.87 0.00 -0.50 0.00 -1.11 0.00 0.00 177.39 176.64 1c8k h ALA 272 N 0.00 0.64 0.00 1.96 0.00 -1.59 -3.33 119.26 116.94 1c8k h ALA 272 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 54.91 53.53 1c8k h ALA 272 Cb 0.00 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1c8k h ALA 272 CO 0.00 1.48 0.00 0.39 0.00 0.00 0.00 179.25 181.12 1c8k n GLU 273 N -3.18 0.01 0.17 0.00 1.02 -1.06 -3.23 120.64 114.36 1c8k n GLU 273 Ca -0.18 0.01 0.13 0.00 -0.02 0.00 0.00 57.16 57.11 1c8k n GLU 273 Cb 1.04 -1.50 0.53 0.00 -0.02 0.00 0.00 31.44 31.50 1c8k n GLU 273 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1c8k h ASN 274 N 0.00 0.00 -0.90 1.62 2.35 -1.84 -3.20 115.58 113.62 1c8k h ASN 274 Ca 0.00 0.00 0.09 0.00 -0.55 0.00 0.00 56.30 55.84 1c8k h ASN 274 Cb 0.48 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.79 1c8k h ASN 274 CO 0.00 0.00 0.58 0.40 -1.65 0.00 0.00 177.43 176.76 1c8k h ILE 275 N 0.00 1.00 -0.42 2.81 2.04 -1.79 -2.21 117.51 118.94 1c8k h ILE 275 Ca 0.00 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1c8k h ILE 275 Cb 0.41 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 1c8k h ILE 275 CO 0.00 0.17 0.00 -1.54 0.00 0.00 0.00 178.15 176.78 1c8k n SER 276 N -4.52 4.43 -0.05 1.72 3.41 -1.21 -4.68 113.62 112.72 1c8k n SER 276 Ca 0.15 -2.78 -0.14 0.00 -0.26 0.00 0.00 58.87 55.84 1c8k n SER 276 Cb 0.27 -0.55 -0.08 0.00 -0.26 0.00 0.00 64.21 63.59 1c8k n SER 276 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1c8k h ARG 277 N 2.81 0.36 -3.40 4.33 9.65 -1.50 -2.61 114.38 124.02 1c8k h ARG 277 Ca 0.00 -0.22 -0.16 0.00 -1.10 0.00 0.00 59.98 58.50 1c8k h ARG 277 Cb 1.51 0.02 -0.23 0.00 -1.39 0.00 0.00 29.97 29.88 1c8k h ARG 277 CO 0.27 0.80 -0.49 0.54 2.80 0.00 0.00 179.97 183.89 1c8k s VAL 278 N -4.11 0.05 0.18 0.20 0.11 -1.26 -1.41 120.40 114.16 1c8k s VAL 278 Ca -0.14 -0.39 -0.30 0.00 -2.93 0.00 0.00 61.98 58.22 1c8k s VAL 278 Cb 0.05 -0.37 -0.08 0.00 -1.53 0.00 0.00 36.38 34.46 1c8k s VAL 278 CO 0.76 -0.21 0.95 -0.22 -3.33 0.00 0.00 175.10 173.05 1c8k s LEU 279 N -0.76 4.58 -0.02 2.54 2.96 -0.84 -4.99 118.68 122.15 1c8k s LEU 279 Ca -0.08 1.87 -0.30 0.00 -0.22 0.00 0.00 54.13 55.40 1c8k s LEU 279 Cb -0.05 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 43.00 1c8k s LEU 279 CO 0.01 0.06 1.38 -0.31 -1.32 0.00 0.00 176.35 176.17 1c8k s TYR 280 N -0.64 2.87 -0.06 5.38 1.51 -1.26 -4.86 117.35 120.28 1c8k s TYR 280 Ca 0.44 0.86 0.00 0.00 -1.01 0.00 0.00 57.07 57.35 1c8k s TYR 280 Cb -0.25 -3.63 0.06 0.00 -0.11 0.00 0.00 41.96 38.03 1c8k s TYR 280 CO 0.31 -2.32 1.49 -0.35 -1.11 0.00 0.00 175.55 173.58 1c8k n PRO 281 N 5.46 1.15 -3.76 -1.71 -0.04 -1.26 -4.89 135.00 129.95 1c8k n PRO 281 Ca 0.13 -0.33 -0.35 0.00 -0.04 0.00 0.00 63.50 62.91 1c8k n PRO 281 Cb 0.44 -1.13 -0.08 0.00 -0.04 0.00 0.00 33.50 32.69 1c8k n PRO 281 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1c8k s ASN 282 N 1.12 6.16 -0.25 3.54 0.01 -1.26 -4.41 114.94 119.85 1c8k s ASN 282 Ca 0.06 0.23 -0.06 0.00 -0.71 0.00 0.00 52.86 52.38 1c8k s ASN 282 Cb 0.05 -2.08 -0.01 0.00 0.41 0.00 0.00 41.25 39.63 1c8k s ASN 282 CO 0.01 0.19 0.03 -0.62 -1.51 0.00 0.00 177.10 175.19 1c8k s ASP 283 N 0.30 4.81 -1.40 -1.22 2.15 -1.26 -4.57 116.67 115.47 1c8k s ASP 283 Ca 0.08 -0.46 -0.08 0.00 0.43 0.00 0.00 52.55 52.51 1c8k s ASP 283 Cb -0.11 -1.83 0.04 0.00 -0.30 0.00 0.00 42.92 40.71 1c8k s ASP 283 CO -0.02 -0.08 0.98 0.59 -0.17 0.00 0.00 175.17 176.47 1c8k n ASN 284 N 4.85 -4.19 -3.73 -0.34 3.02 -1.26 -4.98 115.26 108.63 1c8k n ASN 284 Ca -0.16 -0.71 -0.12 0.00 -0.03 0.00 0.00 54.58 53.56 1c8k n ASN 284 Cb 0.50 -4.37 -0.12 0.00 -0.61 0.00 0.00 39.78 35.19 1c8k n ASN 284 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1c8k s PHE 285 N -3.39 -0.41 -0.20 3.10 5.36 -1.26 -4.21 117.98 116.97 1c8k s PHE 285 Ca 0.44 0.94 -0.11 0.00 -0.96 0.00 0.00 56.93 57.23 1c8k s PHE 285 Cb -0.21 0.13 -0.05 0.00 -0.34 0.00 0.00 43.02 42.56 1c8k s PHE 285 CO 0.79 -0.23 0.20 0.12 -1.46 0.00 0.00 175.22 174.63 1c8k s PHE 286 N 0.86 3.39 -0.24 10.12 5.36 0.87 -4.88 117.98 133.47 1c8k s PHE 286 Ca -0.06 0.38 0.02 0.00 -0.96 0.00 0.00 56.93 56.32 1c8k s PHE 286 Cb -0.07 -2.26 0.05 0.00 -0.34 0.00 0.00 43.02 40.41 1c8k s PHE 286 CO -0.06 0.19 -0.10 -2.00 -1.46 0.00 0.00 175.22 171.80 1c8k s GLU 287 N 0.65 2.05 -1.42 10.12 2.12 -1.26 -4.95 118.70 126.01 1c8k s GLU 287 Ca 0.11 -1.12 -0.15 0.00 0.36 0.00 0.00 54.97 54.17 1c8k s GLU 287 Cb -0.12 -2.70 0.05 0.00 0.26 0.00 0.00 34.13 31.62 1c8k s GLU 287 CO 0.02 -0.53 2.12 0.41 -0.54 0.00 0.00 175.26 176.74 1c8k n GLY 288 N 4.56 4.07 3.78 -1.50 0.00 -1.26 -4.92 105.19 109.92 1c8k n GLY 288 Ca -0.14 -1.58 -0.33 0.00 0.00 0.00 0.00 46.02 43.97 1c8k n GLY 288 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c8k s LYS 289 N 3.32 3.09 0.26 1.61 -0.14 -1.26 -5.01 119.74 121.61 1c8k s LYS 289 Ca 0.48 -0.45 -0.03 0.00 -1.36 0.00 0.00 55.97 54.61 1c8k s LYS 289 Cb 0.12 -2.88 0.38 0.00 -1.68 0.00 0.00 37.83 33.77 1c8k s LYS 289 CO -0.05 0.66 1.88 1.49 -0.76 0.00 0.00 175.35 178.57 1c8k h GLU 290 N 4.24 1.14 -0.91 1.68 4.81 -2.00 -1.98 114.58 121.57 1c8k h GLU 290 Ca -0.50 -0.07 0.04 0.00 -0.13 0.00 0.00 59.36 58.70 1c8k h GLU 290 Cb 1.19 -0.26 -0.05 0.00 0.63 0.00 0.00 28.75 30.25 1c8k h GLU 290 CO 0.61 0.76 0.60 1.25 -0.73 0.00 0.00 179.01 181.50 1c8k h LEU 291 N 1.18 0.98 -0.46 1.64 5.85 -1.98 -0.96 115.31 121.55 1c8k h LEU 291 Ca 0.42 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 59.10 1c8k h LEU 291 Cb 0.13 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1c8k h LEU 291 CO -0.16 0.67 0.16 -0.09 -0.34 0.00 0.00 178.44 178.67 1c8k h ARG 292 N 1.13 0.70 -0.59 1.25 1.12 -1.72 -1.52 114.38 114.75 1c8k h ARG 292 Ca 0.37 -0.14 -0.05 0.00 -1.11 0.00 0.00 59.98 59.04 1c8k h ARG 292 Cb 0.04 -0.11 -0.03 0.00 -0.01 0.00 0.00 29.97 29.86 1c8k h ARG 292 CO -0.11 0.66 0.17 1.25 -3.11 0.00 0.00 179.97 178.82 1c8k h LEU 293 N 0.60 0.84 -0.58 3.80 5.85 -1.07 -0.99 115.31 123.77 1c8k h LEU 293 Ca 0.15 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1c8k h LEU 293 Cb 0.24 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1c8k h LEU 293 CO -0.01 0.81 0.20 0.11 -0.34 0.00 0.00 178.44 179.21 1c8k h LYS 294 N 0.88 0.89 -0.50 1.25 1.57 -0.88 -1.23 116.57 118.54 1c8k h LYS 294 Ca 0.19 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1c8k h LYS 294 Cb 0.28 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1c8k h LYS 294 CO -0.01 0.78 0.28 1.96 -0.57 0.00 0.00 179.45 181.89 1c8k h GLN 295 N 0.81 0.69 -0.61 3.15 4.20 -0.82 0.14 115.11 122.68 1c8k h GLN 295 Ca 0.19 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 1c8k h GLN 295 Cb 0.25 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 1c8k h GLN 295 CO -0.01 0.54 0.32 0.93 -0.67 0.00 0.00 178.83 179.94 1c8k h GLU 296 N 0.67 0.85 -0.19 1.46 5.08 -0.85 -2.06 114.58 119.53 1c8k h GLU 296 Ca 0.18 -0.11 -0.19 0.00 -1.00 0.00 0.00 59.36 58.24 1c8k h GLU 296 Cb 0.04 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1c8k h GLU 296 CO -0.03 0.66 -0.65 -0.92 -1.00 0.00 0.00 179.01 177.08 1c8k h TYR 297 N 0.82 0.92 0.03 4.33 3.20 -1.01 -2.94 116.97 122.33 1c8k h TYR 297 Ca 0.21 -0.36 0.03 0.00 3.14 0.00 0.00 58.73 61.75 1c8k h TYR 297 Cb 0.07 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.14 1c8k h TYR 297 CO -0.01 1.16 -0.27 0.35 -1.64 0.00 0.00 178.16 177.75 1c8k h PHE 298 N 0.52 -0.74 -0.66 -3.82 3.57 -0.48 0.38 116.94 115.71 1c8k h PHE 298 Ca -0.01 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 1c8k h PHE 298 Cb 1.24 0.32 -0.03 0.00 2.79 0.00 0.00 35.95 40.28 1c8k h PHE 298 CO 0.07 -0.37 0.26 -0.24 -2.23 0.00 0.00 178.31 175.79 1c8k h VAL 299 N -0.43 1.23 -0.02 1.41 3.04 -1.43 -2.56 116.25 117.49 1c8k h VAL 299 Ca 0.05 -0.74 -0.00 0.00 -1.01 0.00 0.00 66.70 65.00 1c8k h VAL 299 Cb 0.51 0.45 -0.00 0.00 -2.01 0.00 0.00 31.29 30.24 1c8k h VAL 299 CO -0.22 0.30 -0.00 0.58 -1.01 0.00 0.00 177.57 177.21 1c8k h VAL 300 N 0.96 1.30 -0.22 1.51 2.07 -1.23 -2.21 116.25 118.42 1c8k h VAL 300 Ca 0.22 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.85 1c8k h VAL 300 Cb 0.20 1.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1c8k h VAL 300 CO -0.02 0.24 0.14 0.00 0.02 0.00 0.00 177.57 177.94 1c8k h ALA 301 N 0.64 0.28 -0.30 1.67 0.00 -0.20 -1.55 119.26 119.80 1c8k h ALA 301 Ca 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1c8k h ALA 301 Cb 0.39 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1c8k h ALA 301 CO 0.00 -0.21 0.02 0.00 0.00 0.00 0.00 179.25 179.06 1c8k h ALA 302 N 1.05 0.41 -0.25 0.00 0.00 -1.54 -2.99 119.26 115.94 1c8k h ALA 302 Ca 0.08 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1c8k h ALA 302 Cb 0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1c8k h ALA 302 CO -0.02 0.14 0.13 1.15 0.00 0.00 0.00 179.25 180.65 1c8k h THR 303 N 0.33 1.01 -0.70 0.00 2.02 -1.32 -2.46 112.91 111.79 1c8k h THR 303 Ca 0.09 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1c8k h THR 303 Cb 0.40 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 1c8k h THR 303 CO 0.01 0.05 0.39 -0.07 0.37 0.00 0.00 175.52 176.27 1c8k h LEU 304 N 0.27 0.85 -0.71 2.58 3.38 -1.30 0.04 115.31 120.42 1c8k h LEU 304 Ca 0.10 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1c8k h LEU 304 Cb 0.02 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1c8k h LEU 304 CO -0.06 0.68 0.29 1.56 0.09 0.00 0.00 178.44 181.00 1c8k h GLN 305 N 0.97 1.07 -0.66 1.13 4.20 -1.35 -1.05 115.11 119.42 1c8k h GLN 305 Ca 0.25 -0.19 -0.07 0.00 0.06 0.00 0.00 58.65 58.70 1c8k h GLN 305 Cb 0.01 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.59 1c8k h GLN 305 CO -0.04 0.88 0.14 0.22 -0.67 0.00 0.00 178.83 179.36 1c8k h ASP 306 N 1.02 1.01 -0.33 1.46 3.58 -0.88 -0.87 116.42 121.41 1c8k h ASP 306 Ca 0.24 -0.24 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 1c8k h ASP 306 Cb 0.20 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 40.97 1c8k h ASP 306 CO -0.02 0.99 0.09 0.40 -2.88 0.00 0.00 179.24 177.82 1c8k h ILE 307 N 0.98 1.21 -0.40 2.25 2.04 -0.64 -2.18 117.51 120.77 1c8k h ILE 307 Ca 0.20 -0.69 -0.15 0.00 1.00 0.00 0.00 64.86 65.22 1c8k h ILE 307 Cb 0.39 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1c8k h ILE 307 CO 0.01 0.23 -0.34 0.40 0.00 0.00 0.00 178.15 178.45 1c8k h ILE 308 N 0.37 1.27 -0.09 -0.67 2.04 -1.12 -1.76 117.51 117.56 1c8k h ILE 308 Ca 0.10 -1.51 0.03 0.00 1.00 0.00 0.00 64.86 64.48 1c8k h ILE 308 Cb 0.27 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 1c8k h ILE 308 CO -0.00 0.51 -0.11 -0.09 0.00 0.00 0.00 178.15 178.46 1c8k h ARG 309 N 0.77 -0.14 -0.98 2.37 2.43 -1.10 0.20 114.38 117.93 1c8k h ARG 309 Ca 0.07 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.31 1c8k h ARG 309 Cb 0.93 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.45 1c8k h ARG 309 CO 0.09 -0.10 0.63 -0.09 -1.51 0.00 0.00 179.97 178.99 1c8k h ARG 310 N -0.15 1.13 -0.28 0.20 2.43 -1.32 -2.50 114.38 113.89 1c8k h ARG 310 Ca 0.07 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1c8k h ARG 310 Cb 0.25 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1c8k h ARG 310 CO -0.18 0.75 0.02 0.35 -1.51 0.00 0.00 179.97 179.40 1c8k h PHE 311 N 1.17 0.51 -0.06 2.20 3.57 -0.38 -2.14 116.94 121.81 1c8k h PHE 311 Ca 0.42 -0.08 0.02 0.00 3.53 0.00 0.00 57.97 61.85 1c8k h PHE 311 Cb 0.13 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.73 1c8k h PHE 311 CO -0.01 0.60 0.09 0.87 -2.23 0.00 0.00 178.31 177.64 1c8k h LYS 312 N 0.28 0.00 0.00 1.11 1.57 -0.21 -3.01 116.57 116.31 1c8k h LYS 312 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1c8k h LYS 312 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1c8k h LYS 312 CO 0.01 0.00 0.00 0.43 -0.57 0.00 0.00 179.45 179.32 1c8k n SER 313 N -3.59 0.00 0.00 0.86 7.64 -1.04 -2.11 113.62 115.38 1c8k n SER 313 Ca -0.01 0.36 0.00 0.00 1.01 0.00 0.00 58.87 60.23 1c8k n SER 313 Cb 0.18 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 1c8k n SER 313 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1c8k n SER 314 N -1.71 0.00 0.00 6.43 7.64 -0.83 0.61 113.62 125.75 1c8k n SER 314 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1c8k n SER 314 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1c8k n SER 314 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1c8k n LYS 315 N 4.70 1.44 -0.05 1.43 4.01 -1.26 -4.52 118.16 123.90 1c8k n LYS 315 Ca 0.00 -0.98 -0.09 0.00 -0.51 0.00 0.00 58.31 56.73 1c8k n LYS 315 Cb 0.00 -0.81 -0.15 0.00 -0.51 0.00 0.00 35.03 33.56 1c8k n LYS 315 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 1c8k n PHE 316 N -0.26 0.58 -0.52 2.13 3.01 -1.12 -2.80 117.46 118.48 1c8k n PHE 316 Ca 0.00 0.21 -0.06 0.00 1.01 0.00 0.00 57.45 58.61 1c8k n PHE 316 Cb 0.30 -1.10 0.02 0.00 -0.01 0.00 0.00 39.48 38.69 1c8k n PHE 316 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1c8k n GLY 317 N 1.62 3.05 2.15 1.37 0.00 0.20 -3.36 105.19 110.23 1c8k n GLY 317 Ca -0.23 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1c8k n GLY 317 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c8k n ARG 319 N -3.49 0.00 0.00 0.00 0.00 -1.12 -5.06 116.66 106.98 1c8k n ARG 319 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1c8k n ARG 319 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.46 1c8k n ARG 319 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1c8k n ASP 320 N 0.00 0.00 0.13 2.89 8.00 -1.24 -2.37 116.55 123.95 1c8k n ASP 320 Ca 0.00 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.61 1c8k n ASP 320 Cb 0.00 0.00 0.51 0.00 -0.02 0.00 0.00 41.12 41.61 1c8k n ASP 320 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1c8k n PRO 321 N 2.64 0.17 -2.28 -0.24 -0.04 -1.26 -4.95 135.00 129.04 1c8k n PRO 321 Ca 0.00 0.48 -0.02 0.00 -0.04 0.00 0.00 63.50 63.92 1c8k n PRO 321 Cb 0.00 -1.88 -0.02 0.00 -0.04 0.00 0.00 33.50 31.56 1c8k n PRO 321 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1c8k n VAL 322 N -2.21-11.83 0.00 0.52 0.31 -1.00 -5.06 118.33 99.05 1c8k n VAL 322 Ca 0.01 2.63 0.00 0.00 -0.01 0.00 0.00 64.34 66.97 1c8k n VAL 322 Cb 0.17 -5.89 0.00 0.00 -0.91 0.00 0.00 33.84 27.21 1c8k n VAL 322 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1c8k n ARG 323 N 1.54 0.00 -1.13 5.55 3.00 -1.26 -4.97 116.66 119.38 1c8k n ARG 323 Ca -0.15 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.62 1c8k n ARG 323 Cb 0.23 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.65 1c8k n ARG 323 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1c8k n THR 324 N 0.00 0.00 -3.04 5.15 -1.04 -1.26 -4.79 114.28 109.30 1c8k n THR 324 Ca 0.00 -0.31 -0.43 0.00 -2.04 0.00 0.00 64.05 61.27 1c8k n THR 324 Cb 0.00 -0.77 -0.06 0.00 -1.82 0.00 0.00 70.33 67.68 1c8k n THR 324 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1c8k s ASN 325 N 3.59 6.27 0.00 8.00 0.02 -1.26 -4.88 114.94 126.68 1c8k s ASN 325 Ca 0.31 -0.66 0.00 0.00 -1.02 0.00 0.00 52.86 51.48 1c8k s ASN 325 Cb -0.00 -2.35 0.00 0.00 0.02 0.00 0.00 41.25 38.92 1c8k s ASN 325 CO 0.09 -1.00 0.74 0.49 0.02 0.00 0.00 177.10 177.43 1c8k n PHE 326 N 6.64 0.00 0.23 2.20 3.01 -1.26 -3.25 117.46 125.03 1c8k n PHE 326 Ca -0.03 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.50 1c8k n PHE 326 Cb 0.46 -0.00 0.54 0.00 -0.01 0.00 0.00 39.48 40.47 1c8k n PHE 326 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1c8k h ASP 327 N 0.01 0.00 0.02 4.37 3.32 -1.97 -1.55 116.42 120.63 1c8k h ASP 327 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1c8k h ASP 327 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1c8k h ASP 327 CO 0.00 0.21 -0.09 0.00 -1.72 0.00 0.00 179.24 177.64 1c8k n ALA 328 N -2.42 2.72 -0.12 3.45 0.00 -1.20 -4.46 120.51 118.48 1c8k n ALA 328 Ca -0.02 -0.53 -0.06 0.00 0.00 0.00 0.00 53.44 52.83 1c8k n ALA 328 Cb 0.28 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1c8k n ALA 328 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1c8k h PHE 329 N 2.87 -0.66 0.00 0.00 3.57 -1.51 0.17 116.94 121.38 1c8k h PHE 329 Ca 0.00 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1c8k h PHE 329 Cb 0.67 0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.77 1c8k h PHE 329 CO 0.00 -0.33 0.00 -1.35 -2.23 0.00 0.00 178.31 174.40 1c8k h PRO 330 N -0.18 0.00 0.00 6.41 0.11 -1.78 0.14 132.00 136.70 1c8k h PRO 330 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1c8k h PRO 330 Cb 0.48 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.59 1c8k h PRO 330 CO -0.52 0.00 -0.30 -0.44 -0.21 0.00 0.00 178.00 176.53 1c8k h ASP 331 N 0.00 0.00 0.00 -2.05 3.32 -1.26 -3.34 116.42 113.10 1c8k h ASP 331 Ca 0.00 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1c8k h ASP 331 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1c8k h ASP 331 CO 0.00 0.01 -0.53 0.29 -1.72 0.00 0.00 179.24 177.29 1c8k n LYS 332 N -2.71 3.81 -4.46 3.56 4.76 -0.67 -4.54 118.16 117.90 1c8k n LYS 332 Ca 0.03 -0.01 -0.20 0.00 -2.87 0.00 0.00 58.31 55.26 1c8k n LYS 332 Cb 0.50 -0.84 -0.15 0.00 -1.84 0.00 0.00 35.03 32.70 1c8k n LYS 332 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1c8k s VAL 333 N -1.71 0.85 -0.04 -0.18 1.01 0.40 -0.40 120.40 120.33 1c8k s VAL 333 Ca 0.01 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 1c8k s VAL 333 Cb 0.03 -0.72 0.03 0.00 0.00 0.00 0.00 36.38 35.72 1c8k s VAL 333 CO 0.19 0.25 0.02 0.00 0.00 0.00 0.00 175.10 175.55 1c8k s ALA 334 N -0.14 0.38 -0.23 5.51 0.00 -0.58 -4.48 121.76 122.21 1c8k s ALA 334 Ca 0.02 0.11 -0.01 0.00 0.00 0.00 0.00 51.96 52.08 1c8k s ALA 334 Cb -0.05 -0.48 0.02 0.00 0.00 0.00 0.00 23.12 22.61 1c8k s ALA 334 CO -0.00 -0.25 -0.09 0.42 0.00 0.00 0.00 175.76 175.83 1c8k s ILE 335 N 1.49 2.71 -0.26 0.00 1.01 -0.15 0.51 121.20 126.52 1c8k s ILE 335 Ca -0.03 -0.97 -0.11 0.00 0.00 0.00 0.00 60.65 59.54 1c8k s ILE 335 Cb -0.13 -2.32 -0.05 0.00 0.01 0.00 0.00 42.46 39.97 1c8k s ILE 335 CO -0.03 0.29 0.17 -1.58 0.00 0.00 0.00 174.94 173.80 1c8k s GLN 336 N 1.32 4.02 -0.41 2.79 2.00 0.23 -1.97 119.66 127.63 1c8k s GLN 336 Ca 0.01 -0.29 -0.18 0.00 -2.00 0.00 0.00 55.36 52.90 1c8k s GLN 336 Cb -0.16 -3.58 0.02 0.00 0.80 0.00 0.00 33.01 30.09 1c8k s GLN 336 CO -0.06 -0.04 0.51 -0.51 -0.50 0.00 0.00 175.29 174.69 1c8k s LEU 337 N 1.34 4.66 -0.88 3.68 1.43 -0.26 -1.29 118.68 127.36 1c8k s LEU 337 Ca 0.07 -0.46 -0.24 0.00 -1.03 0.00 0.00 54.13 52.47 1c8k s LEU 337 Cb -0.15 -2.52 0.05 0.00 0.03 0.00 0.00 46.19 43.60 1c8k s LEU 337 CO 0.07 -0.62 1.34 0.21 0.23 0.00 0.00 176.35 177.58 1c8k s ASN 338 N 1.86 6.35 0.25 2.29 2.47 -0.73 -1.70 114.94 125.74 1c8k s ASN 338 Ca 0.16 -1.04 0.00 0.00 0.42 0.00 0.00 52.86 52.40 1c8k s ASN 338 Cb -0.16 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.09 1c8k s ASN 338 CO 0.15 -1.62 0.00 -0.67 -3.72 0.00 0.00 177.10 171.24 1c8k n ASP 339 N 8.91 -1.65 -0.28 -4.21 -0.08 -0.61 -4.25 116.55 114.38 1c8k n ASP 339 Ca 0.18 0.03 0.14 0.00 -1.51 0.00 0.00 54.79 53.63 1c8k n ASP 339 Cb 0.50 -0.09 0.54 0.00 2.34 0.00 0.00 41.12 44.41 1c8k n ASP 339 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1c8k n THR 340 N -0.63 0.00 -0.29 5.18 -2.24 -1.26 -4.33 114.28 110.71 1c8k n THR 340 Ca 0.00 -0.15 0.08 0.00 -2.27 0.00 0.00 64.05 61.72 1c8k n THR 340 Cb 0.01 0.23 0.24 0.00 -2.10 0.00 0.00 70.33 68.71 1c8k n THR 340 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1c8k h HIS 341 N 1.37 0.67 -0.46 4.78 3.86 -1.96 0.25 115.15 123.66 1c8k h HIS 341 Ca 0.00 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1c8k h HIS 341 Cb 0.42 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.72 1c8k h HIS 341 CO 0.00 0.09 0.00 -0.35 0.86 0.00 0.00 177.93 178.53 1c8k n PRO 342 N -4.95 3.98 0.18 2.45 -0.04 -1.26 -4.60 135.00 130.76 1c8k n PRO 342 Ca 0.18 -2.45 0.18 0.00 -0.04 0.00 0.00 63.50 61.37 1c8k n PRO 342 Cb 0.49 -2.07 0.81 0.00 -0.04 0.00 0.00 33.50 32.68 1c8k n PRO 342 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1c8k h SER 343 N 3.14 0.00 0.21 3.54 4.64 -1.20 -1.58 113.55 122.30 1c8k h SER 343 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1c8k h SER 343 Cb 1.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.71 1c8k h SER 343 CO 0.37 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.51 1c8k n LEU 344 N -3.70 0.00 0.08 5.97 4.77 -1.26 -1.99 117.00 120.86 1c8k n LEU 344 Ca 0.03 0.42 0.04 0.00 -0.03 0.00 0.00 56.01 56.47 1c8k n LEU 344 Cb 0.42 -0.42 0.44 0.00 -2.33 0.00 0.00 43.42 41.53 1c8k n LEU 344 CO 0.26 -0.31 1.05 0.00 -1.33 0.00 0.00 177.39 177.06 1c8k h ALA 345 N 2.30 1.67 0.59 -1.18 0.00 -1.65 -0.53 119.26 120.45 1c8k h ALA 345 Ca 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1c8k h ALA 345 Cb 0.11 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.79 1c8k h ALA 345 CO 0.00 0.26 -0.28 0.82 0.00 0.00 0.00 179.25 180.05 1c8k h ILE 346 N 0.36 0.26 0.00 0.00 2.04 -1.65 0.68 117.51 119.20 1c8k h ILE 346 Ca 0.09 -0.35 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 1c8k h ILE 346 Cb 0.10 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 36.53 1c8k h ILE 346 CO -0.01 0.03 -0.12 1.55 0.00 0.00 0.00 178.15 179.61 1c8k h PRO 347 N -1.06 0.00 -0.14 2.37 0.13 -1.73 -2.46 132.00 129.12 1c8k h PRO 347 Ca -0.08 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.84 1c8k h PRO 347 Cb 0.66 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.80 1c8k h PRO 347 CO 0.13 0.12 -0.76 1.49 -0.23 0.00 0.00 178.00 178.76 1c8k h GLU 348 N 0.00 0.70 -0.70 0.86 4.57 -1.02 -0.62 114.58 118.36 1c8k h GLU 348 Ca -0.00 -0.56 -0.07 0.00 -1.18 0.00 0.00 59.36 57.55 1c8k h GLU 348 Cb 0.56 0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.23 1c8k h GLU 348 CO 0.02 1.18 0.17 1.25 -1.18 0.00 0.00 179.01 180.44 1c8k h LEU 349 N 0.48 1.06 -0.20 1.64 5.85 -0.59 -1.61 115.31 121.94 1c8k h LEU 349 Ca -0.04 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 1c8k h LEU 349 Cb 1.37 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 1c8k h LEU 349 CO 0.15 1.02 0.07 0.24 -0.34 0.00 0.00 178.44 179.58 1c8k h MET 350 N 1.07 0.31 -0.32 1.25 2.86 -1.36 -1.47 114.93 117.26 1c8k h MET 350 Ca 0.22 -0.06 0.07 0.00 -2.06 0.00 0.00 59.70 57.86 1c8k h MET 350 Cb 0.37 -0.05 -0.06 0.00 0.06 0.00 0.00 31.60 31.92 1c8k h MET 350 CO 0.00 0.40 -0.11 -0.09 1.06 0.00 0.00 176.91 178.17 1c8k h ARG 351 N 0.16 -0.04 -0.04 1.72 2.43 -0.82 0.36 114.38 118.13 1c8k h ARG 351 Ca 0.07 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1c8k h ARG 351 Cb 0.22 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1c8k h ARG 351 CO -0.00 -0.03 0.02 0.28 -1.51 0.00 0.00 179.97 178.73 1c8k h VAL 352 N -0.05 1.11 -0.73 0.20 2.07 -1.21 0.20 116.25 117.85 1c8k h VAL 352 Ca 0.16 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 1c8k h VAL 352 Cb 0.29 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1c8k h VAL 352 CO -0.35 0.09 0.32 -0.07 0.02 0.00 0.00 177.57 177.58 1c8k h LEU 353 N -0.06 0.98 0.00 2.57 3.38 -0.81 0.13 115.31 121.50 1c8k h LEU 353 Ca 0.01 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1c8k h LEU 353 Cb 0.13 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1c8k h LEU 353 CO -0.00 0.86 -0.12 0.58 0.09 0.00 0.00 178.44 179.85 1c8k h VAL 354 N 1.03 0.08 -0.50 1.22 2.07 -0.27 0.65 116.25 120.52 1c8k h VAL 354 Ca 0.25 -1.07 -0.11 0.00 0.82 0.00 0.00 66.70 66.59 1c8k h VAL 354 Cb 0.17 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 1c8k h VAL 354 CO -0.03 0.03 -0.11 0.44 0.02 0.00 0.00 177.57 177.92 1c8k h ASP 355 N -1.00 0.97 0.01 0.57 3.32 -0.72 -2.62 116.42 116.95 1c8k h ASP 355 Ca -0.00 -0.36 -0.39 0.00 0.02 0.00 0.00 57.03 56.30 1c8k h ASP 355 Cb 0.16 -0.26 -0.06 0.00 0.22 0.00 0.00 39.33 39.39 1c8k h ASP 355 CO -0.00 1.10 -2.14 0.18 -1.72 0.00 0.00 179.24 176.66 1c8k n LEU 356 N -4.20 2.04 0.03 1.55 4.77 -0.54 -4.49 117.00 116.17 1c8k n LEU 356 Ca 0.01 0.32 0.13 0.00 -0.03 0.00 0.00 56.01 56.44 1c8k n LEU 356 Cb 0.40 -0.88 0.38 0.00 -2.33 0.00 0.00 43.42 40.98 1c8k n LEU 356 CO 0.45 0.53 0.68 -0.62 -1.33 0.00 0.00 177.39 177.09 1c8k n GLU 357 N -4.19 0.11 -3.41 3.23 -0.58 -0.08 -4.97 120.64 110.75 1c8k n GLU 357 Ca -0.46 0.06 -0.20 0.00 -0.42 0.00 0.00 57.16 56.14 1c8k n GLU 357 Cb 0.84 -1.60 0.07 0.00 -0.57 0.00 0.00 31.44 30.19 1c8k n GLU 357 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1c8k n ARG 358 N -1.77 -6.69 -2.81 3.49 1.74 -0.59 -4.96 116.66 105.07 1c8k n ARG 358 Ca 0.06 0.71 -0.29 0.00 -0.77 0.00 0.00 57.85 57.55 1c8k n ARG 358 Cb 0.38 -5.40 -0.02 0.00 -1.02 0.00 0.00 32.46 26.40 1c8k n ARG 358 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1c8k s LEU 359 N -6.31 3.78 0.62 0.55 1.02 0.12 -4.98 118.68 113.47 1c8k s LEU 359 Ca 0.43 1.05 -0.16 0.00 0.02 0.00 0.00 54.13 55.48 1c8k s LEU 359 Cb -0.19 -3.95 -0.02 0.00 0.02 0.00 0.00 46.19 42.04 1c8k s LEU 359 CO 0.62 -0.44 1.08 1.51 0.02 0.00 0.00 176.35 179.14 1c8k s ASP 360 N -3.43 5.51 0.15 2.29 -4.77 -1.26 -4.46 116.67 110.70 1c8k s ASP 360 Ca 0.50 1.90 -0.28 0.00 -3.30 0.00 0.00 52.55 51.37 1c8k s ASP 360 Cb -0.10 -2.54 -0.02 0.00 -1.09 0.00 0.00 42.92 39.16 1c8k s ASP 360 CO 0.35 -1.35 1.58 -0.25 0.70 0.00 0.00 175.17 176.20 1c8k h TRP 361 N 0.30 -1.23 -0.87 2.11 2.91 -1.97 -1.75 115.95 115.45 1c8k h TRP 361 Ca -0.47 0.06 0.09 0.00 1.13 0.00 0.00 58.89 59.70 1c8k h TRP 361 Cb 1.23 0.58 -0.06 0.00 -0.51 0.00 0.00 29.16 30.40 1c8k h TRP 361 CO 0.57 -0.45 0.56 -0.44 -1.03 0.00 0.00 178.44 177.65 1c8k h ASP 362 N -0.38 0.80 -0.36 2.65 3.32 -1.99 0.13 116.42 120.59 1c8k h ASP 362 Ca 0.12 0.02 -0.16 0.00 0.02 0.00 0.00 57.03 57.02 1c8k h ASP 362 Cb 0.60 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.99 1c8k h ASP 362 CO -0.51 0.48 -0.41 0.50 -1.72 0.00 0.00 179.24 177.58 1c8k h LYS 363 N 0.89 0.91 -0.40 3.56 3.11 -1.84 -2.00 116.57 120.79 1c8k h LYS 363 Ca 0.39 -0.50 -0.03 0.00 -2.81 0.00 0.00 60.65 57.70 1c8k h LYS 363 Cb 0.35 0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.60 1c8k h LYS 363 CO -0.16 1.15 0.12 0.00 -2.81 0.00 0.00 179.45 177.75 1c8k h ALA 364 N 0.74 0.53 -0.76 5.00 0.00 -0.45 -2.03 119.26 122.28 1c8k h ALA 364 Ca 0.05 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1c8k h ALA 364 Cb 1.01 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1c8k h ALA 364 CO 0.10 0.18 0.35 2.35 0.00 0.00 0.00 179.25 182.23 1c8k h TRP 365 N 0.51 1.12 -0.26 0.00 2.91 -0.75 -0.28 115.95 119.20 1c8k h TRP 365 Ca 0.13 -0.06 0.02 0.00 1.13 0.00 0.00 58.89 60.11 1c8k h TRP 365 Cb 0.27 -0.34 -0.02 0.00 -0.51 0.00 0.00 29.16 28.55 1c8k h TRP 365 CO 0.01 0.83 0.12 1.49 -1.03 0.00 0.00 178.44 179.86 1c8k h GLU 366 N 1.09 0.25 -0.12 2.65 4.81 -1.12 -1.27 114.58 120.87 1c8k h GLU 366 Ca 0.26 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1c8k h GLU 366 Cb 0.15 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1c8k h GLU 366 CO -0.03 0.17 0.06 0.28 -0.73 0.00 0.00 179.01 178.75 1c8k h VAL 367 N 0.26 1.11 0.09 0.32 2.07 -1.02 -2.41 116.25 116.67 1c8k h VAL 367 Ca 0.11 -0.32 0.02 0.00 0.82 0.00 0.00 66.70 67.33 1c8k h VAL 367 Cb 0.04 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 1c8k h VAL 367 CO -0.08 0.10 -0.26 0.74 0.02 0.00 0.00 177.57 178.09 1c8k h THR 368 N 0.07 0.42 -0.77 2.57 2.02 -0.77 -1.86 112.91 114.59 1c8k h THR 368 Ca 0.04 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.27 1c8k h THR 368 Cb 0.11 0.42 -0.05 0.00 -1.74 0.00 0.00 68.15 66.89 1c8k h THR 368 CO -0.01 0.00 0.47 0.58 0.37 0.00 0.00 175.52 176.93 1c8k h VAL 369 N -0.45 1.04 0.00 3.16 2.07 -1.25 -1.33 116.25 119.50 1c8k h VAL 369 Ca 0.04 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1c8k h VAL 369 Cb 0.49 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1c8k h VAL 369 CO -0.17 0.16 -0.11 0.11 0.02 0.00 0.00 177.57 177.58 1c8k h LYS 370 N 0.88 0.00 0.00 1.57 1.57 -1.09 -2.32 116.57 117.18 1c8k h LYS 370 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 1c8k h LYS 370 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1c8k h LYS 370 CO -0.15 0.11 -1.73 0.25 -0.57 0.00 0.00 179.45 177.36 1c8k n THR 371 N -3.38 0.02 -3.83 -0.16 -2.24 -0.73 -4.90 114.28 99.06 1c8k n THR 371 Ca -0.01 -0.38 -0.35 0.00 -2.27 0.00 0.00 64.05 61.04 1c8k n THR 371 Cb 0.30 0.22 -0.05 0.00 -2.10 0.00 0.00 70.33 68.69 1c8k n THR 371 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1c8k s ALA 373 N -1.20 -0.02 -0.03 0.00 0.00 -0.83 -1.42 121.76 118.25 1c8k s ALA 373 Ca 0.23 -0.24 0.05 0.00 0.00 0.00 0.00 51.96 52.00 1c8k s ALA 373 Cb -0.13 0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.04 1c8k s ALA 373 CO 0.13 -0.10 -0.19 -0.47 0.00 0.00 0.00 175.76 175.13 1c8k s TYR 374 N -0.79 1.78 -0.22 0.00 5.04 -0.11 -1.11 117.35 121.94 1c8k s TYR 374 Ca -0.09 -0.44 -0.04 0.00 -2.44 0.00 0.00 57.07 54.06 1c8k s TYR 374 Cb -0.05 -1.18 -0.01 0.00 0.35 0.00 0.00 41.96 41.07 1c8k s TYR 374 CO -0.00 -0.11 -0.03 0.99 -1.34 0.00 0.00 175.55 175.06 1c8k s THR 375 N -0.18 3.51 0.01 4.34 2.01 -0.69 -1.69 115.64 122.95 1c8k s THR 375 Ca 0.01 -0.45 -0.19 0.00 0.31 0.00 0.00 61.69 61.38 1c8k s THR 375 Cb -0.10 -2.60 -0.06 0.00 0.01 0.00 0.00 72.50 69.75 1c8k s THR 375 CO 0.01 0.41 0.53 0.21 -0.69 0.00 0.00 174.62 175.10 1c8k s ASN 376 N 1.47 6.94 0.00 3.53 3.84 -0.54 -1.58 114.94 128.60 1c8k s ASN 376 Ca 0.06 1.12 0.08 0.00 0.21 0.00 0.00 52.86 54.33 1c8k s ASN 376 Cb -0.14 -2.33 -0.06 0.00 -0.55 0.00 0.00 41.25 38.17 1c8k s ASN 376 CO -0.02 0.19 0.43 1.41 -2.79 0.00 0.00 177.10 176.33 1c8k n HIS 377 N 2.31 0.00 -3.52 0.43 8.25 -1.26 -4.07 115.22 117.36 1c8k n HIS 377 Ca -0.09 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.28 1c8k n HIS 377 Cb 0.51 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.60 1c8k n HIS 377 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1c8k s THR 378 N -1.58 0.00 -0.82 1.59 -1.32 -1.26 -4.54 115.64 107.70 1c8k s THR 378 Ca 0.05 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 60.63 1c8k s THR 378 Cb 0.06 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 70.02 1c8k s THR 378 CO 0.29 0.00 0.59 1.33 -2.21 0.00 0.00 174.62 174.62 1c8k n VAL 379 N -0.07 0.00 -2.14 5.08 0.24 -1.26 -4.99 118.33 115.19 1c8k n VAL 379 Ca -0.09 -0.36 -0.42 0.00 -2.04 0.00 0.00 64.34 61.44 1c8k n VAL 379 Cb 0.61 1.09 -0.03 0.00 -1.47 0.00 0.00 33.84 34.04 1c8k n VAL 379 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1c8k s ILE 380 N -1.54 3.14 0.30 1.34 -4.36 -1.26 -4.92 121.20 113.91 1c8k s ILE 380 Ca 0.07 0.85 0.03 0.00 -0.26 0.00 0.00 60.65 61.35 1c8k s ILE 380 Cb 0.08 -3.55 0.29 0.00 1.25 0.00 0.00 42.46 40.54 1c8k s ILE 380 CO 0.30 0.08 1.85 1.55 0.24 0.00 0.00 174.94 178.97 1c8k h PRO 381 N 6.36 0.90 0.00 0.37 0.13 -1.98 -2.36 132.00 135.42 1c8k h PRO 381 Ca -0.43 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1c8k h PRO 381 Cb 1.21 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1c8k h PRO 381 CO 0.84 0.60 0.00 -0.85 -0.23 0.00 0.00 178.00 178.36 1c8k n GLU 382 N -4.59 0.54 -0.01 0.86 0.00 -1.26 -1.58 120.64 114.60 1c8k n GLU 382 Ca 0.18 0.02 0.10 0.00 0.00 0.00 0.00 57.16 57.46 1c8k n GLU 382 Cb 0.36 -1.50 -0.14 0.00 0.00 0.00 0.00 31.44 30.16 1c8k n GLU 382 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1c8k n ALA 383 N -1.04 3.48 -2.02 -1.84 0.00 -0.89 -0.09 120.51 118.11 1c8k n ALA 383 Ca 0.13 -0.52 -0.42 0.00 0.00 0.00 0.00 53.44 52.63 1c8k n ALA 383 Cb 0.08 -0.71 -0.03 0.00 0.00 0.00 0.00 19.45 18.78 1c8k n ALA 383 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1c8k s LEU 384 N -3.85 4.36 -0.47 0.00 2.01 -0.62 -4.35 118.68 115.76 1c8k s LEU 384 Ca -0.02 2.43 -0.27 0.00 0.01 0.00 0.00 54.13 56.29 1c8k s LEU 384 Cb 0.14 -3.57 0.03 0.00 0.01 0.00 0.00 46.19 42.79 1c8k s LEU 384 CO 0.84 -0.80 1.03 -1.61 1.01 0.00 0.00 176.35 176.82 1c8k s GLU 385 N 1.93 3.62 -0.39 1.70 2.02 -1.26 -4.79 118.70 121.53 1c8k s GLU 385 Ca 0.70 0.34 0.03 0.00 0.02 0.00 0.00 54.97 56.06 1c8k s GLU 385 Cb -0.39 -3.92 0.11 0.00 0.10 0.00 0.00 34.13 30.03 1c8k s GLU 385 CO 0.31 -1.32 0.15 1.03 0.02 0.00 0.00 175.26 175.44 1c8k s ARG 386 N 4.13 1.39 -0.06 1.61 0.52 -1.26 -1.99 118.95 123.30 1c8k s ARG 386 Ca 0.42 -1.90 -0.27 0.00 -0.52 0.00 0.00 55.73 53.46 1c8k s ARG 386 Cb -0.09 -2.79 -0.03 0.00 0.52 0.00 0.00 34.95 32.57 1c8k s ARG 386 CO 0.29 -1.03 0.88 -1.58 0.02 0.00 0.00 175.30 173.87 1c8k s TRP 387 N 0.67 3.59 0.29 -0.53 0.52 -0.80 -4.72 118.94 117.96 1c8k s TRP 387 Ca 0.13 1.49 -0.30 0.00 0.02 0.00 0.00 56.10 57.44 1c8k s TRP 387 Cb -0.21 -3.02 -0.11 0.00 -1.15 0.00 0.00 33.47 28.98 1c8k s TRP 387 CO -0.08 -0.04 1.60 -2.14 0.02 0.00 0.00 176.95 176.32 1c8k s PRO 388 N 1.21 4.11 0.36 4.98 0.02 -1.26 0.03 135.00 144.46 1c8k s PRO 388 Ca 0.45 2.59 0.04 0.00 0.02 0.00 0.00 61.00 64.11 1c8k s PRO 388 Cb -0.19 -3.02 0.70 0.00 0.02 0.00 0.00 34.50 32.01 1c8k s PRO 388 CO 0.22 -0.64 1.99 0.28 -0.33 0.00 0.00 177.00 178.51 1c8k h VAL 389 N 3.39 1.08 0.00 3.83 2.07 -1.55 -2.03 116.25 123.04 1c8k h VAL 389 Ca -0.47 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 1c8k h VAL 389 Cb 1.22 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1c8k h VAL 389 CO 0.80 0.14 -0.11 1.12 0.02 0.00 0.00 177.57 179.55 1c8k h HIS 390 N 0.79 0.00 -0.01 1.57 2.07 -1.91 0.22 115.15 117.88 1c8k h HIS 390 Ca 0.27 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.71 1c8k h HIS 390 Cb 0.09 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.08 1c8k h HIS 390 CO -0.00 0.11 -0.33 -0.07 -3.07 0.00 0.00 177.93 174.57 1c8k h LEU 391 N 0.00 0.30 -1.01 6.12 3.38 -1.75 -2.78 115.31 119.57 1c8k h LEU 391 Ca -0.00 -0.76 -0.09 0.00 0.09 0.00 0.00 57.88 57.12 1c8k h LEU 391 Cb 0.28 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1c8k h LEU 391 CO 0.01 1.02 -0.28 -0.07 0.09 0.00 0.00 178.44 179.21 1c8k h LEU 392 N -0.39 0.37 -0.76 1.67 3.38 -1.38 -1.02 115.31 117.17 1c8k h LEU 392 Ca -0.04 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1c8k h LEU 392 Cb 1.06 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.68 1c8k h LEU 392 CO 0.06 0.65 0.48 -0.08 0.09 0.00 0.00 178.44 179.65 1c8k h GLU 393 N 0.32 1.01 0.08 1.13 4.81 -0.61 0.17 114.58 121.50 1c8k h GLU 393 Ca 0.05 -0.08 -0.16 0.00 -0.13 0.00 0.00 59.36 59.04 1c8k h GLU 393 Cb 0.67 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1c8k h GLU 393 CO 0.05 0.69 -0.79 1.15 -0.73 0.00 0.00 179.01 179.39 1c8k h THR 394 N 1.03 1.42 0.12 0.32 2.02 -1.31 -3.31 112.91 113.20 1c8k h THR 394 Ca 0.28 -2.42 -0.22 0.00 0.77 0.00 0.00 66.41 64.81 1c8k h THR 394 Cb -0.08 3.04 0.02 0.00 -1.74 0.00 0.00 68.15 69.40 1c8k h THR 394 CO -0.06 0.65 -0.95 0.25 0.37 0.00 0.00 175.52 175.78 1c8k h LEU 395 N -0.58 0.62 -6.03 2.58 5.85 -1.22 -3.38 115.31 113.15 1c8k h LEU 395 Ca -0.16 -0.88 -0.57 0.00 0.84 0.00 0.00 57.88 57.11 1c8k h LEU 395 Cb 1.47 -0.20 -0.40 0.00 0.37 0.00 0.00 40.66 41.90 1c8k h LEU 395 CO 0.05 1.44 -0.95 0.18 -0.34 0.00 0.00 178.44 178.82 1c8k n LEU 396 N -4.02 1.38 -0.30 2.25 4.77 0.58 -0.71 117.00 120.94 1c8k n LEU 396 Ca -0.13 -4.96 0.08 0.00 -0.03 0.00 0.00 56.01 50.96 1c8k n LEU 396 Cb 0.86 0.24 0.23 0.00 -2.33 0.00 0.00 43.42 42.42 1c8k n LEU 396 CO 0.52 2.09 1.11 1.55 -1.33 0.00 0.00 177.39 181.33 1c8k h PRO 397 N 3.94 0.63 -0.21 3.23 0.13 -1.62 -2.21 132.00 135.89 1c8k h PRO 397 Ca 0.11 -0.04 -0.15 0.00 -0.87 0.00 0.00 66.00 65.06 1c8k h PRO 397 Cb 0.81 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.79 1c8k h PRO 397 CO 0.58 0.42 -0.48 -0.09 -0.23 0.00 0.00 178.00 178.20 1c8k h ARG 398 N 0.65 0.56 -0.36 0.86 9.65 -1.91 -2.91 114.38 120.91 1c8k h ARG 398 Ca 0.47 -0.32 -0.08 0.00 -1.10 0.00 0.00 59.98 58.95 1c8k h ARG 398 Cb 0.67 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.25 1c8k h ARG 398 CO -0.36 0.92 -0.10 0.45 2.80 0.00 0.00 179.97 183.68 1c8k h HIS 399 N 0.45 0.68 -0.59 2.20 3.86 -1.77 -1.47 115.15 118.51 1c8k h HIS 399 Ca 0.02 -0.11 -0.04 0.00 -1.16 0.00 0.00 60.37 59.09 1c8k h HIS 399 Cb 1.00 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 29.26 1c8k h HIS 399 CO 0.04 0.71 0.22 1.25 0.86 0.00 0.00 177.93 181.01 1c8k h LEU 400 N 0.58 0.83 -0.65 2.43 6.46 -1.32 0.37 115.31 124.00 1c8k h LEU 400 Ca 0.10 -0.18 -0.03 0.00 -0.12 0.00 0.00 57.88 57.66 1c8k h LEU 400 Cb 0.52 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.20 1c8k h LEU 400 CO 0.03 0.79 0.31 1.56 -0.62 0.00 0.00 178.44 180.50 1c8k h GLN 401 N 0.83 0.95 -0.51 1.25 4.20 -1.26 -0.93 115.11 119.64 1c8k h GLN 401 Ca 0.20 -0.15 -0.10 0.00 0.06 0.00 0.00 58.65 58.66 1c8k h GLN 401 Cb 0.22 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 1c8k h GLN 401 CO -0.01 0.76 -0.07 0.82 -0.67 0.00 0.00 178.83 179.65 1c8k h ILE 402 N 0.90 1.26 -0.55 2.54 2.04 -0.93 -1.93 117.51 120.85 1c8k h ILE 402 Ca 0.22 -1.18 -0.09 0.00 1.00 0.00 0.00 64.86 64.82 1c8k h ILE 402 Cb 0.13 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1c8k h ILE 402 CO -0.03 0.41 -0.01 0.40 0.00 0.00 0.00 178.15 178.93 1c8k h ILE 403 N 0.82 1.26 -0.64 -0.67 2.04 -0.48 0.24 117.51 120.08 1c8k h ILE 403 Ca 0.14 -1.11 -0.08 0.00 1.00 0.00 0.00 64.86 64.81 1c8k h ILE 403 Cb 0.59 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 1c8k h ILE 403 CO 0.04 0.40 0.09 1.88 0.00 0.00 0.00 178.15 180.56 1c8k h TYR 404 N 0.87 1.14 -0.45 1.37 0.05 -0.97 0.10 116.97 119.09 1c8k h TYR 404 Ca 0.16 -0.16 -0.12 0.00 0.05 0.00 0.00 58.73 58.66 1c8k h TYR 404 Cb 0.53 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 37.94 1c8k h TYR 404 CO 0.03 0.97 -0.19 1.49 -1.05 0.00 0.00 178.16 179.41 1c8k h GLU 405 N 0.98 0.90 -0.32 4.88 4.57 -1.01 0.59 114.58 125.16 1c8k h GLU 405 Ca 0.19 -0.36 -0.04 0.00 -1.18 0.00 0.00 59.36 57.97 1c8k h GLU 405 Cb 0.45 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.99 1c8k h GLU 405 CO 0.01 1.01 0.06 0.82 -1.18 0.00 0.00 179.01 179.73 1c8k h ILE 406 N 0.78 1.23 -0.14 2.32 2.04 -0.69 -2.11 117.51 120.95 1c8k h ILE 406 Ca 0.11 -0.80 0.03 0.00 1.00 0.00 0.00 64.86 65.20 1c8k h ILE 406 Cb 0.74 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 1c8k h ILE 406 CO 0.06 0.27 -0.03 -1.13 0.00 0.00 0.00 178.15 177.31 1c8k h ASN 407 N 0.36 -0.12 -0.23 1.72 -1.24 -0.73 -0.57 115.58 114.77 1c8k h ASN 407 Ca 0.10 0.04 0.06 0.00 0.71 0.00 0.00 56.30 57.21 1c8k h ASN 407 Cb 0.34 0.08 -0.07 0.00 0.73 0.00 0.00 38.32 39.40 1c8k h ASN 407 CO 0.01 -0.04 -0.27 -0.61 -1.29 0.00 0.00 177.43 175.22 1c8k h GLN 408 N 0.00 -0.28 -0.21 6.67 4.15 -0.73 0.35 115.11 125.06 1c8k h GLN 408 Ca 0.07 0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.41 1c8k h GLN 408 Cb 0.10 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 1c8k h GLN 408 CO -0.14 -0.18 -0.27 0.00 -1.93 0.00 0.00 178.83 176.30 1c8k h ARG 409 N -0.29 0.41 -0.01 1.69 3.08 -1.18 -2.52 114.38 115.57 1c8k h ARG 409 Ca 0.13 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1c8k h ARG 409 Cb 0.49 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.52 1c8k h ARG 409 CO -0.40 0.66 -0.00 0.35 -1.07 0.00 0.00 179.97 179.50 1c8k h PHE 410 N 0.36 0.02 -0.16 3.04 3.57 -0.52 -2.84 116.94 120.41 1c8k h PHE 410 Ca 0.05 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1c8k h PHE 410 Cb 0.67 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 1c8k h PHE 410 CO 0.02 0.43 0.10 -0.07 -2.23 0.00 0.00 178.31 176.56 1c8k h LEU 411 N -0.40 0.18 -1.29 0.59 3.38 -0.91 0.15 115.31 117.01 1c8k h LEU 411 Ca 0.00 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1c8k h LEU 411 Cb 0.42 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1c8k h LEU 411 CO 0.00 0.14 -0.19 0.78 0.09 0.00 0.00 178.44 179.26 1c8k h ASN 412 N 0.22 0.24 -0.34 -0.43 -0.26 -1.34 0.12 115.58 113.79 1c8k h ASN 412 Ca 0.06 -0.06 -0.11 0.00 -0.56 0.00 0.00 56.30 55.63 1c8k h ASN 412 Cb -0.02 -0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 37.17 1c8k h ASN 412 CO -0.01 0.44 -0.23 0.03 -1.06 0.00 0.00 177.43 176.60 1c8k h ARG 413 N 0.23 0.75 -0.23 0.81 3.08 -0.51 -1.96 114.38 116.55 1c8k h ARG 413 Ca 0.04 -0.36 -0.02 0.00 0.07 0.00 0.00 59.98 59.72 1c8k h ARG 413 Cb 0.47 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 1c8k h ARG 413 CO 0.03 0.97 0.07 0.28 -1.07 0.00 0.00 179.97 180.25 1c8k h VAL 414 N 0.53 1.20 -0.96 2.04 2.07 -0.49 -1.85 116.25 118.77 1c8k h VAL 414 Ca 0.07 -0.62 0.03 0.00 0.82 0.00 0.00 66.70 66.99 1c8k h VAL 414 Cb 0.78 1.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.67 1c8k h VAL 414 CO 0.06 0.20 0.63 0.00 0.02 0.00 0.00 177.57 178.49 1c8k h ALA 415 N 0.89 1.36 0.00 1.67 0.00 -0.75 0.23 119.26 122.67 1c8k h ALA 415 Ca 0.07 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1c8k h ALA 415 Cb 0.24 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1c8k h ALA 415 CO -0.00 0.55 -0.41 0.00 0.00 0.00 0.00 179.25 179.39 1c8k h ALA 416 N 1.43 1.25 0.10 0.00 0.00 -1.11 -2.37 119.26 118.57 1c8k h ALA 416 Ca 0.38 -0.37 -0.30 0.00 0.00 0.00 0.00 54.91 54.61 1c8k h ALA 416 Cb -0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1c8k h ALA 416 CO -0.11 0.51 -1.51 0.00 0.00 0.00 0.00 179.25 178.15 1c8k h ALA 417 N 1.59 0.31 -2.11 0.00 0.00 -0.37 -3.40 119.26 115.28 1c8k h ALA 417 Ca -0.00 -1.12 -0.58 0.00 0.00 0.00 0.00 54.91 53.21 1c8k h ALA 417 Cb 0.76 0.26 -0.41 0.00 0.00 0.00 0.00 17.79 18.40 1c8k h ALA 417 CO 0.05 1.17 -0.81 1.19 0.00 0.00 0.00 179.25 180.86 1c8k n PHE 418 N -3.42 1.99 -1.64 0.00 3.72 0.70 -5.10 117.46 113.71 1c8k n PHE 418 Ca -0.15 -3.91 -0.51 0.00 -0.05 0.00 0.00 57.45 52.83 1c8k n PHE 418 Cb 1.04 -0.47 -0.06 0.00 -0.94 0.00 0.00 39.48 39.05 1c8k n PHE 418 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1c8k n PRO 419 N 1.07 1.52 0.00 -1.08 -0.02 -0.90 -1.46 135.00 134.13 1c8k n PRO 419 Ca 0.26 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1c8k n PRO 419 Cb 0.46 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 1c8k n PRO 419 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1c8k n GLY 420 N 3.18 2.57 3.23 -1.23 0.00 -1.26 -4.94 105.19 106.74 1c8k n GLY 420 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1c8k n GLY 420 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1c8k n ASP 421 N 0.00 4.35 0.08 1.61 -0.08 -0.54 -4.75 116.55 117.23 1c8k n ASP 421 Ca 0.00 -2.87 0.02 0.00 -1.51 0.00 0.00 54.79 50.43 1c8k n ASP 421 Cb 0.00 -1.69 0.36 0.00 2.34 0.00 0.00 41.12 42.13 1c8k n ASP 421 CO 0.00 0.00 0.00 1.62 0.12 0.00 0.00 177.20 178.94 1c8k h VAL 422 N 4.95 1.18 -0.04 5.18 3.04 -1.92 -2.77 116.25 125.88 1c8k h VAL 422 Ca 0.48 -0.78 -0.17 0.00 -1.01 0.00 0.00 66.70 65.23 1c8k h VAL 422 Cb 0.78 1.13 -0.01 0.00 -2.01 0.00 0.00 31.29 31.17 1c8k h VAL 422 CO 1.63 0.25 -0.73 -0.78 -1.01 0.00 0.00 177.57 176.94 1c8k h ASP 423 N 0.31 0.28 -0.76 3.17 3.58 -2.00 -2.90 116.42 118.11 1c8k h ASP 423 Ca 0.07 -0.19 -0.03 0.00 0.42 0.00 0.00 57.03 57.30 1c8k h ASP 423 Cb 0.36 -0.08 -0.04 0.00 1.72 0.00 0.00 39.33 41.29 1c8k h ASP 423 CO 0.02 0.91 0.38 -0.09 -2.88 0.00 0.00 179.24 177.57 1c8k h ARG 424 N 0.15 1.10 0.05 0.28 2.43 -1.90 -1.44 114.38 115.05 1c8k h ARG 424 Ca -0.02 -0.15 0.01 0.00 -0.81 0.00 0.00 59.98 59.01 1c8k h ARG 424 Cb 1.29 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.61 1c8k h ARG 424 CO 0.11 0.84 -0.12 -0.07 -1.51 0.00 0.00 179.97 179.22 1c8k h LEU 425 N 1.09 -0.33 -1.06 3.80 4.07 -1.30 -0.60 115.31 120.97 1c8k h LEU 425 Ca 0.27 0.04 -0.09 0.00 0.08 0.00 0.00 57.88 58.18 1c8k h LEU 425 Cb 0.10 0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.96 1c8k h LEU 425 CO -0.04 -0.17 -0.36 0.08 -1.08 0.00 0.00 178.44 176.87 1c8k h ARG 426 N -0.23 0.19 -0.31 1.13 -0.00 -1.41 -2.45 114.38 111.31 1c8k h ARG 426 Ca 0.03 -0.08 -0.12 0.00 -0.00 0.00 0.00 59.98 59.81 1c8k h ARG 426 Cb 0.25 -0.01 -0.01 0.00 -0.00 0.00 0.00 29.97 30.20 1c8k h ARG 426 CO -0.09 0.54 -0.29 0.00 -0.00 0.00 0.00 179.97 180.13 1c8k h ARG 427 N 0.17 0.64 0.00 0.08 3.08 -0.83 -3.19 114.38 114.33 1c8k h ARG 427 Ca 0.02 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 59.79 1c8k h ARG 427 Cb 0.72 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.75 1c8k h ARG 427 CO 0.05 0.86 -0.56 -1.33 -1.07 0.00 0.00 179.97 177.92 1c8k n MET 428 N -4.09 0.18 -1.59 0.04 2.81 -0.27 -4.96 117.12 109.25 1c8k n MET 428 Ca -0.01 0.05 -0.40 0.00 -1.81 0.00 0.00 57.70 55.54 1c8k n MET 428 Cb 0.45 -1.61 0.03 0.00 -0.71 0.00 0.00 33.22 31.38 1c8k n MET 428 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1c8k n SER 429 N -1.88 0.78 0.11 7.83 2.88 -0.93 -4.87 113.62 117.54 1c8k n SER 429 Ca 0.04 0.93 0.13 0.00 -1.33 0.00 0.00 58.87 58.64 1c8k n SER 429 Cb 0.40 -1.34 0.30 0.00 -0.75 0.00 0.00 64.21 62.83 1c8k n SER 429 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1c8k h LEU 430 N 1.06 0.00 -8.78 2.46 3.38 -1.91 -3.43 115.31 108.09 1c8k h LEU 430 Ca -0.46 -0.05 -0.64 0.00 0.09 0.00 0.00 57.88 56.82 1c8k h LEU 430 Cb 1.35 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.90 1c8k h LEU 430 CO 0.54 0.03 -0.60 -0.69 0.09 0.00 0.00 178.44 177.81 1c8k s VAL 431 N -3.14 4.55 -0.23 1.22 1.01 -1.26 0.03 120.40 122.58 1c8k s VAL 431 Ca 0.09 -0.10 -0.10 0.00 0.00 0.00 0.00 61.98 61.87 1c8k s VAL 431 Cb 0.11 -3.12 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 1c8k s VAL 431 CO 0.64 0.35 0.14 -1.61 0.00 0.00 0.00 175.10 174.62 1c8k s GLU 432 N 1.36 4.04 0.62 2.72 2.02 0.12 -4.96 118.70 124.62 1c8k s GLU 432 Ca 0.05 -0.29 -0.06 0.00 0.02 0.00 0.00 54.97 54.70 1c8k s GLU 432 Cb -0.15 -3.47 0.03 0.00 0.10 0.00 0.00 34.13 30.64 1c8k s GLU 432 CO 0.04 0.09 0.93 -2.00 0.02 0.00 0.00 175.26 174.34 1c8k s GLU 433 N 0.94 2.69 0.00 1.61 2.56 -1.26 -1.77 118.70 123.46 1c8k s GLU 433 Ca 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 54.97 54.92 1c8k s GLU 433 Cb -0.13 -2.25 0.00 0.00 2.00 0.00 0.00 34.13 33.74 1c8k s GLU 433 CO 0.03 -0.86 0.00 0.41 -0.56 0.00 0.00 175.26 174.29 1c8k n GLY 434 N -2.67 0.81 0.08 -1.50 0.00 -1.26 -4.89 105.19 95.75 1c8k n GLY 434 Ca 0.06 -1.73 -0.02 0.00 0.00 0.00 0.00 46.02 44.33 1c8k n GLY 434 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c8k n ALA 435 N -1.00 -0.12 -2.48 4.61 0.00 -1.26 -4.36 120.51 115.90 1c8k n ALA 435 Ca 0.00 0.16 -0.25 0.00 0.00 0.00 0.00 53.44 53.35 1c8k n ALA 435 Cb 0.00 0.33 -0.15 0.00 0.00 0.00 0.00 19.45 19.63 1c8k n ALA 435 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1c8k s VAL 436 N -3.51 1.48 0.42 0.00 -7.23 -1.26 -5.12 120.40 105.18 1c8k s VAL 436 Ca -0.02 -0.88 -0.25 0.00 -1.81 0.00 0.00 61.98 59.02 1c8k s VAL 436 Cb 0.02 -1.25 -0.08 0.00 0.56 0.00 0.00 36.38 35.63 1c8k s VAL 436 CO 0.12 0.35 1.19 -0.54 -0.31 0.00 0.00 175.10 175.91 1c8k s LYS 437 N -0.62 3.95 0.09 4.82 1.02 -1.26 -4.81 119.74 122.93 1c8k s LYS 437 Ca 0.07 1.88 -0.00 0.00 0.02 0.00 0.00 55.97 57.94 1c8k s LYS 437 Cb -0.07 -2.62 -0.04 0.00 -0.52 0.00 0.00 37.83 34.58 1c8k s LYS 437 CO -0.00 -0.42 -0.02 1.03 -0.92 0.00 0.00 175.35 175.03 1c8k s ARG 438 N -2.39 0.78 -0.19 1.68 0.52 -0.73 -1.39 118.95 117.23 1c8k s ARG 438 Ca 0.59 -1.33 -0.05 0.00 -0.52 0.00 0.00 55.73 54.43 1c8k s ARG 438 Cb -0.31 0.07 -0.02 0.00 0.52 0.00 0.00 34.95 35.20 1c8k s ARG 438 CO 0.39 -0.12 -0.01 0.42 0.02 0.00 0.00 175.30 176.00 1c8k s ILE 439 N -3.85 3.90 -0.57 1.52 -1.09 0.11 -0.70 121.20 120.51 1c8k s ILE 439 Ca 0.14 -0.34 -0.24 0.00 -2.23 0.00 0.00 60.65 57.98 1c8k s ILE 439 Cb 0.07 -2.75 0.05 0.00 -1.58 0.00 0.00 42.46 38.25 1c8k s ILE 439 CO -0.05 0.45 0.95 0.21 -1.23 0.00 0.00 174.94 175.27 1c8k s ASN 440 N 0.84 6.31 0.45 3.58 3.84 0.11 -1.89 114.94 128.16 1c8k s ASN 440 Ca 0.00 -0.45 0.16 0.00 0.21 0.00 0.00 52.86 52.78 1c8k s ASN 440 Cb -0.14 -2.44 1.02 0.00 -0.55 0.00 0.00 41.25 39.14 1c8k s ASN 440 CO 0.02 -1.27 1.98 0.24 -2.79 0.00 0.00 177.10 175.28 1c8k h MET 441 N 9.37 0.00 -0.49 0.43 2.86 -1.71 -2.32 114.93 123.07 1c8k h MET 441 Ca -0.27 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.28 1c8k h MET 441 Cb 1.07 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.72 1c8k h MET 441 CO 1.11 0.19 -0.08 0.00 1.06 0.00 0.00 176.91 179.19 1c8k h ALA 442 N 1.81 0.67 -0.42 6.32 0.00 -1.91 -1.37 119.26 124.35 1c8k h ALA 442 Ca -0.00 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 1c8k h ALA 442 Cb 0.36 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1c8k h ALA 442 CO 0.03 0.55 -0.08 0.45 0.00 0.00 0.00 179.25 180.19 1c8k h HIS 443 N 0.78 0.80 -0.21 0.00 3.86 -1.82 -1.97 115.15 116.60 1c8k h HIS 443 Ca 0.13 -0.13 0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1c8k h HIS 443 Cb 0.63 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.87 1c8k h HIS 443 CO 0.05 0.80 0.11 1.25 0.86 0.00 0.00 177.93 180.99 1c8k h LEU 444 N 0.68 0.17 -0.83 2.43 6.46 -1.16 -2.12 115.31 120.93 1c8k h LEU 444 Ca 0.12 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.88 1c8k h LEU 444 Cb 0.54 -0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.40 1c8k h LEU 444 CO 0.03 0.13 0.50 0.00 -0.62 0.00 0.00 178.44 178.48 1c8k h ILE 446 N 1.15 1.24 -0.76 0.00 2.04 -1.19 -2.41 117.51 117.58 1c8k h ILE 446 Ca 0.30 -0.84 -0.03 0.00 1.00 0.00 0.00 64.86 65.29 1c8k h ILE 446 Cb -0.04 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 1c8k h ILE 446 CO -0.06 0.27 0.36 0.00 0.00 0.00 0.00 178.15 178.72 1c8k h ALA 447 N 0.84 1.21 -0.61 1.87 0.00 -1.17 -3.07 119.26 118.33 1c8k h ALA 447 Ca 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1c8k h ALA 447 Cb 0.37 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1c8k h ALA 447 CO 0.01 0.60 0.00 0.41 0.00 0.00 0.00 179.25 180.27 1c8k n GLY 448 N -1.06 2.78 3.26 0.00 0.00 -0.65 -4.93 105.19 104.60 1c8k n GLY 448 Ca 0.07 -0.86 -0.24 0.00 0.00 0.00 0.00 46.02 44.99 1c8k n GLY 448 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1c8k s SER 449 N -0.82 2.43 0.00 1.61 0.01 -0.91 -3.94 113.70 112.07 1c8k s SER 449 Ca 0.52 -0.62 0.26 0.00 1.31 0.00 0.00 55.95 57.42 1c8k s SER 449 Cb 0.36 -0.15 0.76 0.00 0.21 0.00 0.00 66.02 67.20 1c8k s SER 449 CO 0.20 0.08 1.57 0.00 0.41 0.00 0.00 173.24 175.51 1c8k n HIS 450 N 1.38 0.00 -3.73 2.43 1.44 -0.51 -4.85 115.22 111.38 1c8k n HIS 450 Ca -0.19 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.40 1c8k n HIS 450 Cb 0.54 -0.14 -0.10 0.00 0.12 0.00 0.00 29.99 30.40 1c8k n HIS 450 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1c8k s ALA 451 N -2.55 -0.97 -0.06 1.59 0.00 -1.26 -4.57 121.76 113.93 1c8k s ALA 451 Ca 0.23 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.38 1c8k s ALA 451 Cb 0.19 -0.70 0.02 0.00 0.00 0.00 0.00 23.12 22.64 1c8k s ALA 451 CO 0.54 -0.20 -0.04 0.08 0.00 0.00 0.00 175.76 176.13 1c8k s VAL 452 N 0.46 0.60 0.08 0.00 1.01 0.11 -0.94 120.40 121.72 1c8k s VAL 452 Ca -0.02 -0.10 0.06 0.00 0.00 0.00 0.00 61.98 61.92 1c8k s VAL 452 Cb -0.04 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 1c8k s VAL 452 CO -0.02 0.26 -0.15 0.54 0.00 0.00 0.00 175.10 175.73 1c8k s ASN 453 N 1.29 1.89 0.58 3.32 4.22 -0.68 -0.44 114.94 125.12 1c8k s ASN 453 Ca -0.05 -0.66 0.02 0.00 -2.14 0.00 0.00 52.86 50.04 1c8k s ASN 453 Cb -0.14 -0.07 0.06 0.00 1.28 0.00 0.00 41.25 42.39 1c8k s ASN 453 CO -0.02 -0.06 0.81 -0.83 -2.04 0.00 0.00 177.10 174.96 1c8k s GLY 454 N -1.87 1.81 0.00 0.45 0.00 -0.93 -1.46 107.32 105.32 1c8k s GLY 454 Ca 0.01 -1.56 0.15 0.00 0.00 0.00 0.00 44.72 43.32 1c8k s GLY 454 CO 0.03 -1.19 1.26 3.33 0.00 0.00 0.00 173.10 176.52 1c8k n VAL 455 N -2.40 0.76 -3.55 1.40 0.24 -1.26 -2.27 118.33 111.26 1c8k n VAL 455 Ca 0.11 -0.88 -0.14 0.00 -2.04 0.00 0.00 64.34 61.39 1c8k n VAL 455 Cb 0.60 0.70 -0.05 0.00 -1.47 0.00 0.00 33.84 33.61 1c8k n VAL 455 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1c8k s ALA 456 N -1.07 -1.85 0.19 2.33 0.00 -1.26 -1.25 121.76 118.85 1c8k s ALA 456 Ca 0.28 1.42 -0.15 0.00 0.00 0.00 0.00 51.96 53.52 1c8k s ALA 456 Cb 0.16 -0.32 0.17 0.00 0.00 0.00 0.00 23.12 23.13 1c8k s ALA 456 CO 0.21 -0.36 1.66 -0.09 0.00 0.00 0.00 175.76 177.18 1c8k h ARG 457 N 2.71 0.04 -0.77 0.00 2.43 -1.89 0.04 114.38 116.93 1c8k h ARG 457 Ca -0.23 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 58.89 1c8k h ARG 457 Cb 1.16 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.67 1c8k h ARG 457 CO 0.35 0.03 0.29 0.97 -1.51 0.00 0.00 179.97 180.09 1c8k h ILE 458 N 0.04 1.26 -0.41 1.20 2.10 -1.90 -1.69 117.51 118.12 1c8k h ILE 458 Ca 0.25 -0.85 -0.05 0.00 1.08 0.00 0.00 64.86 65.28 1c8k h ILE 458 Cb 0.38 0.36 -0.02 0.00 -1.09 0.00 0.00 36.82 36.45 1c8k h ILE 458 CO -0.47 0.34 0.05 -0.74 -1.08 0.00 0.00 178.15 176.25 1c8k h HIS 459 N 1.13 0.74 -0.36 2.19 2.76 -1.57 -0.90 115.15 119.13 1c8k h HIS 459 Ca 0.26 -0.11 -0.04 0.00 -2.20 0.00 0.00 60.37 58.27 1c8k h HIS 459 Cb 0.25 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 28.99 1c8k h HIS 459 CO 0.02 0.72 0.04 0.77 -1.30 0.00 0.00 177.93 178.19 1c8k h SER 460 N 0.54 0.51 -0.21 3.26 0.02 -0.80 -1.27 113.55 115.60 1c8k h SER 460 Ca 0.12 -0.08 -0.11 0.00 -0.84 0.00 0.00 61.79 60.88 1c8k h SER 460 Cb 0.39 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.80 1c8k h SER 460 CO 0.01 0.55 -0.30 -0.33 -1.14 0.00 0.00 176.83 175.62 1c8k h GLU 461 N 0.53 0.57 -0.93 3.45 4.39 -1.03 -2.99 114.58 118.57 1c8k h GLU 461 Ca 0.12 -0.34 0.06 0.00 0.34 0.00 0.00 59.36 59.54 1c8k h GLU 461 Cb 0.28 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.89 1c8k h GLU 461 CO 0.00 0.94 0.59 0.82 -1.16 0.00 0.00 179.01 180.20 1c8k h ILE 462 N 0.25 1.07 -0.73 3.13 2.04 -0.74 -0.35 117.51 122.18 1c8k h ILE 462 Ca 0.02 -0.37 0.05 0.00 1.00 0.00 0.00 64.86 65.56 1c8k h ILE 462 Cb 0.88 -0.10 -0.05 0.00 -0.74 0.00 0.00 36.82 36.80 1c8k h ILE 462 CO 0.07 0.20 0.44 -0.07 0.00 0.00 0.00 178.15 178.78 1c8k h LEU 463 N 1.08 0.69 -0.54 1.44 3.38 -1.14 0.50 115.31 120.71 1c8k h LEU 463 Ca 0.40 0.02 -0.16 0.00 0.09 0.00 0.00 57.88 58.22 1c8k h LEU 463 Cb 0.16 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1c8k h LEU 463 CO -0.17 0.45 -0.68 0.11 0.09 0.00 0.00 178.44 178.24 1c8k h LYS 464 N 0.82 0.23 0.00 1.13 1.57 -1.20 0.45 116.57 119.58 1c8k h LYS 464 Ca 0.31 -0.18 -0.25 0.00 -1.87 0.00 0.00 60.65 58.66 1c8k h LYS 464 Cb 0.12 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 1c8k h LYS 464 CO -0.15 0.83 -1.37 0.87 -0.57 0.00 0.00 179.45 179.06 1c8k h LYS 465 N 0.16 0.00 0.00 3.15 1.57 -0.68 -3.32 116.57 117.46 1c8k h LYS 465 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1c8k h LYS 465 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1c8k h LYS 465 CO 0.11 0.73 0.00 0.25 -0.57 0.00 0.00 179.45 179.96 1c8k n THR 466 N -3.19 0.00 -0.33 -0.16 -2.24 0.17 -4.72 114.28 103.82 1c8k n THR 466 Ca -0.09 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.78 1c8k n THR 466 Cb 1.00 -0.00 0.19 0.00 -2.10 0.00 0.00 70.33 69.41 1c8k n THR 466 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1c8k n ILE 467 N 0.00 -0.39 -1.58 2.28 0.13 -1.25 -1.48 119.36 117.07 1c8k n ILE 467 Ca 0.00 2.09 -0.08 0.00 -1.10 0.00 0.00 62.75 63.66 1c8k n ILE 467 Cb 0.00 -2.95 0.16 0.00 -0.84 0.00 0.00 39.64 36.01 1c8k n ILE 467 CO 0.00 0.00 0.00 0.49 2.80 0.00 0.00 176.55 179.84 1c8k n PHE 468 N -5.45 1.29 -0.12 9.51 3.72 0.14 -4.78 117.46 121.78 1c8k n PHE 468 Ca 0.18 -1.79 -0.05 0.00 -0.05 0.00 0.00 57.45 55.74 1c8k n PHE 468 Cb 0.56 -0.48 0.03 0.00 -0.94 0.00 0.00 39.48 38.65 1c8k n PHE 468 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1c8k h LYS 469 N 1.26 0.28 -0.87 -1.08 3.64 -1.25 -1.02 116.57 117.53 1c8k h LYS 469 Ca 0.23 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1c8k h LYS 469 Cb 1.46 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 33.18 1c8k h LYS 469 CO 0.45 0.18 0.54 -0.44 -2.27 0.00 0.00 179.45 177.91 1c8k h ASP 470 N 0.29 1.03 -0.08 4.20 3.32 -1.86 -1.66 116.42 121.65 1c8k h ASP 470 Ca 0.19 -0.05 -0.16 0.00 0.02 0.00 0.00 57.03 57.02 1c8k h ASP 470 Cb 0.18 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1c8k h ASP 470 CO -0.20 0.78 -0.52 -0.26 -1.72 0.00 0.00 179.24 177.32 1c8k h PHE 471 N 1.19 0.82 -0.56 4.55 -1.00 -1.84 -2.44 116.94 117.66 1c8k h PHE 471 Ca 0.31 -0.28 -0.08 0.00 2.81 0.00 0.00 57.97 60.74 1c8k h PHE 471 Cb -0.07 -0.16 -0.02 0.00 3.61 0.00 0.00 35.95 39.30 1c8k h PHE 471 CO 0.00 1.04 0.05 -0.92 -1.61 0.00 0.00 178.31 176.87 1c8k h TYR 472 N 0.51 0.98 -0.34 -0.55 3.20 -0.90 -0.63 116.97 119.24 1c8k h TYR 472 Ca 0.02 -0.13 -0.10 0.00 3.14 0.00 0.00 58.73 61.66 1c8k h TYR 472 Cb 1.08 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 39.06 1c8k h TYR 472 CO 0.05 0.86 -0.19 0.93 -1.64 0.00 0.00 178.16 178.18 1c8k h GLU 473 N 0.86 0.63 -0.10 1.82 5.08 -1.16 -1.10 114.58 120.62 1c8k h GLU 473 Ca 0.17 -0.23 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 1c8k h GLU 473 Cb 0.44 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1c8k h GLU 473 CO 0.02 0.78 -0.14 1.25 -1.00 0.00 0.00 179.01 179.91 1c8k h LEU 474 N 0.57 0.29 -6.37 1.33 6.46 -1.05 -3.40 115.31 113.13 1c8k h LEU 474 Ca 0.09 -0.53 -0.58 0.00 -0.12 0.00 0.00 57.88 56.74 1c8k h LEU 474 Cb 0.63 -0.08 -0.38 0.00 -0.73 0.00 0.00 40.66 40.10 1c8k h LEU 474 CO 0.04 0.76 -0.95 -1.61 -0.62 0.00 0.00 178.44 176.07 1c8k s GLU 475 N -4.11 0.85 0.50 1.25 2.02 -0.28 -4.98 118.70 113.95 1c8k s GLU 475 Ca -0.15 -1.97 0.16 0.00 0.02 0.00 0.00 54.97 53.03 1c8k s GLU 475 Cb 0.04 -1.37 1.22 0.00 0.10 0.00 0.00 34.13 34.12 1c8k s GLU 475 CO 0.74 -1.36 2.11 -1.00 0.02 0.00 0.00 175.26 175.77 1c8k h PRO 476 N 5.84 0.09 0.00 0.39 0.13 -1.42 -2.60 132.00 134.43 1c8k h PRO 476 Ca 0.23 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.34 1c8k h PRO 476 Cb 0.92 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.03 1c8k h PRO 476 CO 0.35 0.06 -0.07 1.12 -0.23 0.00 0.00 178.00 179.22 1c8k h HIS 477 N 0.09 0.00 -0.14 1.56 2.07 -1.94 -2.96 115.15 113.84 1c8k h HIS 477 Ca 0.06 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.47 1c8k h HIS 477 Cb 0.12 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.09 1c8k h HIS 477 CO -0.00 0.07 -0.40 0.87 -3.07 0.00 0.00 177.93 175.41 1c8k h LYS 478 N 0.00 0.32 -6.33 5.12 1.57 -1.70 -3.45 116.57 112.09 1c8k h LYS 478 Ca -0.00 -0.15 -0.55 0.00 -1.87 0.00 0.00 60.65 58.08 1c8k h LYS 478 Cb 0.17 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 1c8k h LYS 478 CO 0.01 0.67 0.47 -0.06 -0.57 0.00 0.00 179.45 179.97 1c8k s PHE 479 N -4.19 3.58 0.34 -1.35 0.40 -1.12 -0.71 117.98 114.92 1c8k s PHE 479 Ca -0.05 1.64 0.06 0.00 -0.60 0.00 0.00 56.93 57.98 1c8k s PHE 479 Cb 0.13 -3.16 -0.03 0.00 0.51 0.00 0.00 43.02 40.47 1c8k s PHE 479 CO 0.78 -0.14 0.23 -0.65 0.70 0.00 0.00 175.22 176.15 1c8k s GLN 480 N 1.53 1.74 0.02 0.44 -0.21 0.41 -4.94 119.66 118.65 1c8k s GLN 480 Ca 0.50 -2.02 0.04 0.00 0.02 0.00 0.00 55.36 53.90 1c8k s GLN 480 Cb -0.20 0.11 -0.02 0.00 1.00 0.00 0.00 33.01 33.90 1c8k s GLN 480 CO 0.23 -0.59 -0.11 1.21 -2.12 0.00 0.00 175.29 173.91 1c8k s ASN 481 N -3.41 1.32 -0.34 5.90 3.84 -1.26 -2.19 114.94 118.80 1c8k s ASN 481 Ca 0.37 -0.37 0.02 0.00 0.21 0.00 0.00 52.86 53.08 1c8k s ASN 481 Cb 0.03 -0.09 0.15 0.00 -0.55 0.00 0.00 41.25 40.79 1c8k s ASN 481 CO 0.23 0.02 0.32 -0.54 -2.79 0.00 0.00 177.10 174.35 1c8k s LYS 482 N -0.89 0.53 0.24 0.43 -0.14 -0.96 -4.91 119.74 114.03 1c8k s LYS 482 Ca 0.00 -0.73 -0.31 0.00 -1.36 0.00 0.00 55.97 53.58 1c8k s LYS 482 Cb -0.07 -0.80 -0.11 0.00 -1.68 0.00 0.00 37.83 35.18 1c8k s LYS 482 CO 0.01 -1.15 1.59 0.99 -0.76 0.00 0.00 175.35 176.02 1c8k s THR 483 N 1.64 2.29 1.18 2.17 2.01 -1.26 -4.31 115.64 119.36 1c8k s THR 483 Ca 0.15 0.23 -0.14 0.00 0.31 0.00 0.00 61.69 62.24 1c8k s THR 483 Cb -0.16 -3.15 0.26 0.00 0.01 0.00 0.00 72.50 69.46 1c8k s THR 483 CO -0.11 0.03 0.81 0.59 -0.69 0.00 0.00 174.62 175.25 1c8k n ASN 484 N 3.02 -1.94 -3.46 3.53 5.03 -0.38 -4.64 115.26 116.42 1c8k n ASN 484 Ca 0.11 -0.18 -0.08 0.00 0.87 0.00 0.00 54.58 55.30 1c8k n ASN 484 Cb 0.38 -1.19 -0.01 0.00 -1.02 0.00 0.00 39.78 37.94 1c8k n ASN 484 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1c8k s GLY 485 N -2.28 0.25 0.12 7.41 0.00 -1.26 -4.83 107.32 106.73 1c8k s GLY 485 Ca 0.66 -0.62 0.06 0.00 0.00 0.00 0.00 44.72 44.82 1c8k s GLY 485 CO 0.66 -0.29 -0.14 -0.26 0.00 0.00 0.00 173.10 173.07 1c8k s ILE 486 N -3.23 1.32 -0.08 0.90 -4.36 0.08 -4.49 121.20 111.33 1c8k s ILE 486 Ca 0.15 -1.74 -0.28 0.00 -0.26 0.00 0.00 60.65 58.52 1c8k s ILE 486 Cb -0.05 -1.55 -0.02 0.00 1.25 0.00 0.00 42.46 42.09 1c8k s ILE 486 CO 0.10 -0.44 0.93 0.28 0.24 0.00 0.00 174.94 176.05 1c8k s THR 487 N -2.22 4.86 -0.30 8.37 -1.32 -1.26 -0.69 115.64 123.08 1c8k s THR 487 Ca 0.09 1.90 0.26 0.00 -1.21 0.00 0.00 61.69 62.73 1c8k s THR 487 Cb -0.04 -4.25 0.27 0.00 -1.51 0.00 0.00 72.50 66.97 1c8k s THR 487 CO 0.03 0.09 1.77 1.55 -2.21 0.00 0.00 174.62 175.85 1c8k h PRO 488 N 7.00 0.00 0.23 7.08 0.13 -1.92 -1.54 132.00 142.99 1c8k h PRO 488 Ca -0.35 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.77 1c8k h PRO 488 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1c8k h PRO 488 CO 0.81 0.00 -0.11 0.00 -0.23 0.00 0.00 178.00 178.46 1c8k h ARG 489 N 0.00 -0.30 -0.45 0.86 -0.00 -1.92 -2.33 114.38 110.24 1c8k h ARG 489 Ca 0.00 0.02 -0.10 0.00 -0.50 0.00 0.00 59.98 59.40 1c8k h ARG 489 Cb 0.31 0.07 -0.01 0.00 0.00 0.00 0.00 29.97 30.34 1c8k h ARG 489 CO 0.00 -0.20 -0.11 -0.09 0.00 0.00 0.00 179.97 179.57 1c8k h ARG 490 N -0.55 0.88 -0.34 0.04 2.43 -1.96 0.17 114.38 115.04 1c8k h ARG 490 Ca -0.03 -0.34 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 1c8k h ARG 490 Cb 0.24 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1c8k h ARG 490 CO 0.05 0.98 0.00 0.91 -1.51 0.00 0.00 179.97 180.40 1c8k n TRP 491 N -4.26 0.29 0.00 2.20 7.02 -0.58 -2.80 117.44 119.32 1c8k n TRP 491 Ca -0.00 -0.13 0.00 0.00 -1.02 0.00 0.00 57.50 56.35 1c8k n TRP 491 Cb 0.38 -0.04 0.00 0.00 -2.42 0.00 0.00 31.31 29.23 1c8k n TRP 491 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 1c8k n LEU 492 N 0.04 0.00 -0.16 -0.99 7.94 -0.92 -4.79 117.00 118.12 1c8k n LEU 492 Ca 0.06 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.92 1c8k n LEU 492 Cb 0.22 0.22 0.06 0.00 0.53 0.00 0.00 43.42 44.45 1c8k n LEU 492 CO 0.05 -0.46 0.99 0.58 -1.11 0.00 0.00 177.39 177.44 1c8k h VAL 493 N 0.00 0.88 0.16 1.96 2.07 -1.03 0.38 116.25 120.68 1c8k h VAL 493 Ca 0.00 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 1c8k h VAL 493 Cb 0.00 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1c8k h VAL 493 CO 0.00 0.07 -0.08 0.25 0.02 0.00 0.00 177.57 177.84 1c8k h LEU 494 N 0.41 -0.18 0.00 2.57 6.46 -0.80 -3.23 115.31 120.54 1c8k h LEU 494 Ca 0.23 -0.35 -0.01 0.00 -0.12 0.00 0.00 57.88 57.63 1c8k h LEU 494 Cb 0.21 0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.18 1c8k h LEU 494 CO -0.21 0.32 -0.38 0.00 -0.62 0.00 0.00 178.44 177.55 1c8k n ASN 496 N -2.96 1.23 -0.09 0.00 2.85 0.13 -4.88 115.26 111.54 1c8k n ASN 496 Ca 0.02 -2.96 0.01 0.00 -0.11 0.00 0.00 54.58 51.54 1c8k n ASN 496 Cb 0.55 -0.63 0.30 0.00 1.24 0.00 0.00 39.78 41.24 1c8k n ASN 496 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1c8k h PRO 497 N 3.72 0.72 -0.58 1.20 0.13 -1.65 -1.48 132.00 134.07 1c8k h PRO 497 Ca 0.10 -0.08 0.03 0.00 -0.87 0.00 0.00 66.00 65.18 1c8k h PRO 497 Cb 0.84 -0.14 -0.04 0.00 0.13 0.00 0.00 31.00 31.79 1c8k h PRO 497 CO 0.56 0.56 0.35 0.78 -0.23 0.00 0.00 178.00 180.02 1c8k h GLY 498 N 0.83 0.83 1.19 1.56 0.00 -1.91 0.11 103.07 105.68 1c8k h GLY 498 Ca 0.18 -0.26 -0.21 0.00 0.00 0.00 0.00 47.33 47.04 1c8k h GLY 498 CO -0.03 0.21 -0.71 -2.00 0.00 0.00 0.00 176.54 174.02 1c8k h LEU 499 N 0.69 0.94 -1.41 3.11 5.85 -1.83 -2.95 115.31 119.71 1c8k h LEU 499 Ca 0.24 -0.58 -0.01 0.00 0.84 0.00 0.00 57.88 58.36 1c8k h LEU 499 Cb 0.04 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 1c8k h LEU 499 CO -0.11 1.38 0.27 0.00 -0.34 0.00 0.00 178.44 179.65 1c8k h ALA 500 N 0.61 1.55 0.23 1.25 0.00 -0.82 -2.29 119.26 119.79 1c8k h ALA 500 Ca -0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1c8k h ALA 500 Cb 1.34 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1c8k h ALA 500 CO 0.15 0.38 -0.11 1.49 0.00 0.00 0.00 179.25 181.16 1c8k h GLU 501 N 0.69 -0.30 -0.00 0.00 4.57 -0.70 -1.07 114.58 117.76 1c8k h GLU 501 Ca 0.18 0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.34 1c8k h GLU 501 Cb 0.01 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 1c8k h GLU 501 CO -0.03 0.00 -0.17 -0.84 -1.18 0.00 0.00 179.01 176.79 1c8k h ILE 502 N -0.61 1.12 -0.15 2.32 3.07 -1.42 0.15 117.51 122.00 1c8k h ILE 502 Ca -0.03 -0.59 -0.09 0.00 1.55 0.00 0.00 64.86 65.70 1c8k h ILE 502 Cb 0.44 1.32 -0.00 0.00 -0.27 0.00 0.00 36.82 38.30 1c8k h ILE 502 CO 0.05 0.17 -0.24 0.40 -1.05 0.00 0.00 178.15 177.48 1c8k h ILE 503 N 0.00 1.36 -0.44 0.16 2.04 -1.37 -3.11 117.51 116.14 1c8k h ILE 503 Ca -0.00 -1.47 -0.02 0.00 1.00 0.00 0.00 64.86 64.37 1c8k h ILE 503 Cb 0.30 1.94 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 1c8k h ILE 503 CO 0.02 0.44 0.17 0.00 0.00 0.00 0.00 178.15 178.78 1c8k h ALA 504 N 0.58 1.47 -0.18 1.87 0.00 -0.44 -1.03 119.26 121.54 1c8k h ALA 504 Ca 0.01 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.85 1c8k h ALA 504 Cb 0.81 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1c8k h ALA 504 CO 0.06 0.41 0.13 0.93 0.00 0.00 0.00 179.25 180.77 1c8k h GLU 505 N 0.63 0.00 0.00 0.00 5.08 -0.66 0.50 114.58 120.13 1c8k h GLU 505 Ca 0.15 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 58.10 1c8k h GLU 505 Cb 0.14 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.32 1c8k h GLU 505 CO -0.01 0.00 -2.48 0.54 -1.00 0.00 0.00 179.01 176.06 1c8k n ARG 506 N -4.46 0.64 -0.05 2.33 5.12 -0.79 -4.74 116.66 114.70 1c8k n ARG 506 Ca 0.01 0.19 0.04 0.00 -1.93 0.00 0.00 57.85 56.16 1c8k n ARG 506 Cb 0.26 -1.52 0.06 0.00 -1.16 0.00 0.00 32.46 30.11 1c8k n ARG 506 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 1c8k n ILE 507 N -3.55 0.41 -1.17 0.55 -5.35 -0.46 -5.12 119.36 104.67 1c8k n ILE 507 Ca -0.48 -0.70 0.00 0.00 -0.27 0.00 0.00 62.75 61.30 1c8k n ILE 507 Cb 0.96 0.90 0.00 0.00 -1.74 0.00 0.00 39.64 39.76 1c8k n ILE 507 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1c8k n GLY 508 N 0.36 -2.33 0.00 3.28 0.00 0.17 -4.68 105.19 101.99 1c8k n GLY 508 Ca 0.06 -1.83 0.09 0.00 0.00 0.00 0.00 46.02 44.35 1c8k n GLY 508 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1c8k n GLU 509 N -0.12 0.71 0.20 1.61 1.02 -1.26 -4.11 120.64 118.69 1c8k n GLU 509 Ca 0.00 -0.01 0.13 0.00 -0.02 0.00 0.00 57.16 57.26 1c8k n GLU 509 Cb 0.00 -1.40 0.67 0.00 -0.02 0.00 0.00 31.44 30.69 1c8k n GLU 509 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1c8k h GLU 510 N 0.00 0.00 0.00 3.49 4.39 -1.97 -2.46 114.58 118.03 1c8k h GLU 510 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1c8k h GLU 510 Cb 0.47 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1c8k h GLU 510 CO 0.00 0.00 -0.11 0.10 -1.16 0.00 0.00 179.01 177.84 1c8k h TYR 511 N 0.00 0.00 -0.47 4.33 -0.00 -1.80 -2.92 116.97 116.10 1c8k h TYR 511 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 58.73 58.82 1c8k h TYR 511 Cb 0.12 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 36.82 1c8k h TYR 511 CO 0.00 0.11 0.32 0.82 -0.00 0.00 0.00 178.16 179.41 1c8k h ILE 512 N 0.00 0.90 -0.04 -0.90 1.08 -1.80 -0.71 117.51 116.03 1c8k h ILE 512 Ca -0.00 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 64.38 1c8k h ILE 512 Cb 0.71 0.60 0.00 0.00 -3.07 0.00 0.00 36.82 35.06 1c8k h ILE 512 CO 0.01 0.05 0.00 -1.54 -0.69 0.00 0.00 178.15 175.98 1c8k n SER 513 N -4.46 2.47 -2.84 1.72 3.41 -1.20 -4.67 113.62 108.04 1c8k n SER 513 Ca 0.07 -2.77 -0.11 0.00 -0.26 0.00 0.00 58.87 55.80 1c8k n SER 513 Cb 0.35 -0.33 0.04 0.00 -0.26 0.00 0.00 64.21 64.01 1c8k n SER 513 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1c8k n ASP 514 N -1.02 -1.90 0.14 4.04 2.03 -0.41 -5.02 116.55 114.41 1c8k n ASP 514 Ca 0.13 -3.38 0.19 0.00 0.52 0.00 0.00 54.79 52.25 1c8k n ASP 514 Cb 0.57 1.33 0.71 0.00 -0.72 0.00 0.00 41.12 43.00 1c8k n ASP 514 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1c8k h LEU 515 N 3.46 0.00 -2.09 -2.67 3.38 -1.47 -0.96 115.31 114.95 1c8k h LEU 515 Ca -0.08 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.94 1c8k h LEU 515 Cb 1.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1c8k h LEU 515 CO 0.28 0.00 0.14 0.44 0.09 0.00 0.00 178.44 179.39 1c8k h ASP 516 N 0.00 0.00 0.10 -0.43 3.32 -1.85 -0.23 116.42 117.33 1c8k h ASP 516 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1c8k h ASP 516 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1c8k h ASP 516 CO -0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 1c8k n GLN 517 N -4.28 0.02 0.29 3.56 6.02 -0.36 -1.98 117.38 120.65 1c8k n GLN 517 Ca 0.01 0.37 0.17 0.00 -0.01 0.00 0.00 57.00 57.54 1c8k n GLN 517 Cb 0.27 -1.50 0.84 0.00 1.02 0.00 0.00 30.24 30.87 1c8k n GLN 517 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1c8k h LEU 518 N 0.00 0.00 -1.91 1.08 4.07 -1.25 -2.55 115.31 114.75 1c8k h LEU 518 Ca 0.00 0.00 0.08 0.00 0.08 0.00 0.00 57.88 58.04 1c8k h LEU 518 Cb 0.05 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.77 1c8k h LEU 518 CO 0.00 0.04 0.24 0.03 -1.08 0.00 0.00 178.44 177.68 1c8k h ARG 519 N 0.00 0.10 -0.01 1.13 3.08 -0.88 -0.46 114.38 117.35 1c8k h ARG 519 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1c8k h ARG 519 Cb 0.34 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 1c8k h ARG 519 CO 0.01 0.07 0.13 0.87 -1.07 0.00 0.00 179.97 179.98 1c8k h LYS 520 N 0.11 0.00 0.00 0.04 1.57 -1.71 0.13 116.57 116.71 1c8k h LYS 520 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1c8k h LYS 520 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1c8k h LYS 520 CO -0.02 0.00 0.00 -0.07 -0.57 0.00 0.00 179.45 178.79 1c8k h LEU 521 N 0.00 0.00 -1.30 2.94 3.38 -1.29 -2.89 115.31 116.16 1c8k h LEU 521 Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.03 1c8k h LEU 521 Cb 0.27 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 1c8k h LEU 521 CO -0.00 0.00 0.51 -0.07 0.09 0.00 0.00 178.44 178.97 1c8k h LEU 522 N 0.00 0.76 0.00 1.67 4.07 -0.92 -0.65 115.31 120.24 1c8k h LEU 522 Ca 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1c8k h LEU 522 Cb 0.46 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.03 1c8k h LEU 522 CO 0.00 0.50 0.00 -1.54 -1.08 0.00 0.00 178.44 176.32 1c8k n SER 523 N -4.47 0.00 -0.22 -0.43 3.41 -1.09 -1.87 113.62 108.94 1c8k n SER 523 Ca 0.11 -0.72 0.02 0.00 -0.26 0.00 0.00 58.87 58.02 1c8k n SER 523 Cb 0.18 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.18 1c8k n SER 523 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1c8k n TYR 524 N -0.85 0.12 0.31 7.33 4.01 -0.25 -4.67 117.16 123.16 1c8k n TYR 524 Ca 0.09 -0.33 0.20 0.00 -0.16 0.00 0.00 57.90 57.70 1c8k n TYR 524 Cb 0.04 -0.03 1.09 0.00 -0.31 0.00 0.00 39.34 40.13 1c8k n TYR 524 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 1c8k h VAL 525 N 0.80 0.00 -0.05 -0.72 3.04 -1.39 -0.41 116.25 117.52 1c8k h VAL 525 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1c8k h VAL 525 Cb 0.45 0.89 0.00 0.00 -2.01 0.00 0.00 31.29 30.62 1c8k h VAL 525 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.03 1c8k n ASP 526 N -2.92 1.76 -4.66 3.17 8.00 -1.26 -4.88 116.55 115.76 1c8k n ASP 526 Ca -0.03 -1.42 -0.43 0.00 0.71 0.00 0.00 54.79 53.62 1c8k n ASP 526 Cb 0.09 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.13 1c8k n ASP 526 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1c8k s ASP 527 N -0.65 6.75 0.26 -2.24 -1.08 -0.16 -4.91 116.67 114.64 1c8k s ASP 527 Ca 0.09 2.02 -0.04 0.00 -0.52 0.00 0.00 52.55 54.11 1c8k s ASP 527 Cb 0.06 -2.53 0.32 0.00 -1.46 0.00 0.00 42.92 39.31 1c8k s ASP 527 CO 0.09 -0.88 1.84 -0.08 0.52 0.00 0.00 175.17 176.66 1c8k h GLU 528 N 9.12 1.02 0.26 4.34 4.57 -1.94 -2.28 114.58 129.67 1c8k h GLU 528 Ca -0.35 -0.16 -0.01 0.00 -1.18 0.00 0.00 59.36 57.66 1c8k h GLU 528 Cb 1.15 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.57 1c8k h GLU 528 CO 0.96 0.82 -0.12 0.00 -1.18 0.00 0.00 179.01 179.49 1c8k h ALA 529 N 1.31 -0.35 -0.28 2.92 0.00 -1.95 -2.79 119.26 118.13 1c8k h ALA 529 Ca 0.24 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.04 1c8k h ALA 529 Cb 0.17 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 1c8k h ALA 529 CO -0.02 -0.55 -0.09 0.35 0.00 0.00 0.00 179.25 178.94 1c8k h PHE 530 N -0.63 -0.19 -0.68 0.00 3.57 -1.86 -0.52 116.94 116.62 1c8k h PHE 530 Ca -0.04 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.59 1c8k h PHE 530 Cb 0.45 0.13 -0.08 0.00 2.79 0.00 0.00 35.95 39.24 1c8k h PHE 530 CO 0.01 -0.14 0.30 0.82 -2.23 0.00 0.00 178.31 177.07 1c8k h ILE 531 N -0.03 0.78 -0.69 1.41 2.04 -1.46 0.32 117.51 119.89 1c8k h ILE 531 Ca 0.14 -0.17 -0.06 0.00 1.00 0.00 0.00 64.86 65.77 1c8k h ILE 531 Cb 0.23 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.52 1c8k h ILE 531 CO -0.30 0.09 0.20 -0.09 0.00 0.00 0.00 178.15 178.06 1c8k h ARG 532 N 0.50 1.06 0.21 2.37 2.43 -1.08 -2.14 114.38 117.73 1c8k h ARG 532 Ca 0.35 -0.22 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1c8k h ARG 532 Cb 0.42 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1c8k h ARG 532 CO -0.31 0.91 -0.10 -0.44 -1.51 0.00 0.00 179.97 178.52 1c8k h ASP 533 N 1.02 -0.24 -0.85 -3.80 3.32 0.24 -0.64 116.42 115.47 1c8k h ASP 533 Ca 0.22 -0.29 0.17 0.00 0.02 0.00 0.00 57.03 57.16 1c8k h ASP 533 Cb 0.30 0.06 -0.10 0.00 0.22 0.00 0.00 39.33 39.81 1c8k h ASP 533 CO -0.01 0.23 0.40 0.58 -1.72 0.00 0.00 179.24 178.72 1c8k h VAL 534 N -0.79 0.63 -0.10 -1.35 2.07 -0.43 0.28 116.25 116.56 1c8k h VAL 534 Ca -0.03 -0.18 -0.10 0.00 0.82 0.00 0.00 66.70 67.21 1c8k h VAL 534 Cb 0.51 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1c8k h VAL 534 CO 0.05 0.09 -0.39 0.00 0.02 0.00 0.00 177.57 177.34 1c8k h ALA 535 N 1.61 1.16 -0.16 1.67 0.00 -1.34 -2.90 119.26 119.29 1c8k h ALA 535 Ca 0.49 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1c8k h ALA 535 Cb 0.78 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1c8k h ALA 535 CO -0.42 0.57 -0.22 -0.22 0.00 0.00 0.00 179.25 178.95 1c8k h LYS 536 N 0.18 0.43 -0.53 0.00 3.64 0.11 -2.39 116.57 118.00 1c8k h LYS 536 Ca 0.02 -0.25 -0.04 0.00 -1.27 0.00 0.00 60.65 59.10 1c8k h LYS 536 Cb 0.78 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.59 1c8k h LYS 536 CO 0.06 0.83 0.15 -0.39 -2.27 0.00 0.00 179.45 177.84 1c8k h VAL 537 N 0.06 1.22 -0.72 2.00 -1.51 -1.16 0.11 116.25 116.25 1c8k h VAL 537 Ca 0.02 -0.75 -0.07 0.00 -1.23 0.00 0.00 66.70 64.67 1c8k h VAL 537 Cb 0.79 0.65 -0.03 0.00 -2.13 0.00 0.00 31.29 30.56 1c8k h VAL 537 CO 0.05 0.28 0.18 0.50 -1.23 0.00 0.00 177.57 177.36 1c8k h LYS 538 N 0.78 1.14 -0.47 5.19 1.63 -1.50 0.24 116.57 123.58 1c8k h LYS 538 Ca 0.18 -0.27 -0.10 0.00 -0.85 0.00 0.00 60.65 59.61 1c8k h LYS 538 Cb 0.25 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.71 1c8k h LYS 538 CO -0.01 1.00 -0.11 0.37 -3.45 0.00 0.00 179.45 177.25 1c8k h GLN 539 N 1.08 0.87 -0.43 1.90 5.75 -0.82 -1.38 115.11 122.08 1c8k h GLN 539 Ca 0.23 -0.30 -0.10 0.00 -0.15 0.00 0.00 58.65 58.32 1c8k h GLN 539 Cb 0.37 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.84 1c8k h GLN 539 CO 0.00 0.93 -0.14 0.93 -2.65 0.00 0.00 178.83 177.91 1c8k h GLU 540 N 0.78 0.85 -0.74 1.69 5.08 -0.62 -1.82 114.58 119.80 1c8k h GLU 540 Ca 0.13 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1c8k h GLU 540 Cb 0.62 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.79 1c8k h GLU 540 CO 0.04 0.98 0.43 -0.91 -1.00 0.00 0.00 179.01 178.55 1c8k h ASN 541 N 0.68 0.91 -0.55 1.42 2.35 -0.76 -0.67 115.58 118.97 1c8k h ASN 541 Ca 0.10 -0.08 -0.06 0.00 -0.55 0.00 0.00 56.30 55.71 1c8k h ASN 541 Cb 0.69 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.80 1c8k h ASN 541 CO 0.05 0.73 0.09 0.11 -1.65 0.00 0.00 177.43 176.76 1c8k h LYS 542 N 1.02 0.90 -0.66 0.81 1.57 -1.12 -0.52 116.57 118.57 1c8k h LYS 542 Ca 0.26 -0.24 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 1c8k h LYS 542 Cb 0.00 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 1c8k h LYS 542 CO -0.05 0.87 0.18 -0.07 -0.57 0.00 0.00 179.45 179.82 1c8k h LEU 543 N 0.79 0.96 -0.23 2.94 3.38 -1.00 0.93 115.31 123.07 1c8k h LEU 543 Ca 0.17 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1c8k h LEU 543 Cb 0.40 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1c8k h LEU 543 CO 0.01 0.91 0.03 0.50 0.09 0.00 0.00 178.44 179.98 1c8k h LYS 544 N 0.98 0.39 -0.40 1.13 3.11 -0.79 -1.99 116.57 119.00 1c8k h LYS 544 Ca 0.21 -0.11 -0.04 0.00 -2.81 0.00 0.00 60.65 57.90 1c8k h LYS 544 Cb 0.31 -0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 31.48 1c8k h LYS 544 CO -0.00 0.54 0.10 0.35 -2.81 0.00 0.00 179.45 177.62 1c8k h PHE 545 N 0.19 0.67 -0.12 1.91 3.57 -0.83 -1.08 116.94 121.26 1c8k h PHE 545 Ca 0.07 -0.08 0.03 0.00 3.53 0.00 0.00 57.97 61.52 1c8k h PHE 545 Cb 0.34 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.89 1c8k h PHE 545 CO 0.02 0.64 0.11 0.00 -2.23 0.00 0.00 178.31 176.85 1c8k h ALA 546 N 0.95 1.87 0.06 2.41 0.00 -0.74 0.33 119.26 124.14 1c8k h ALA 546 Ca 0.13 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1c8k h ALA 546 Cb 0.31 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.12 1c8k h ALA 546 CO 0.00 -0.17 -0.37 0.00 0.00 0.00 0.00 179.25 178.72 1c8k h ALA 547 N 1.90 -0.03 -0.95 0.00 0.00 -0.81 -3.25 119.26 116.13 1c8k h ALA 547 Ca 0.06 -0.60 0.15 0.00 0.00 0.00 0.00 54.91 54.51 1c8k h ALA 547 Cb 0.27 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.04 1c8k h ALA 547 CO -0.00 0.18 0.60 -0.92 0.00 0.00 0.00 179.25 179.11 1c8k h TYR 548 N -0.75 0.95 -0.67 0.00 5.03 -0.30 0.15 116.97 121.39 1c8k h TYR 548 Ca -0.07 0.03 0.04 0.00 2.58 0.00 0.00 58.73 61.31 1c8k h TYR 548 Cb 1.27 -0.30 -0.05 0.00 1.55 0.00 0.00 36.73 39.20 1c8k h TYR 548 CO 0.24 0.33 0.41 1.25 -1.32 0.00 0.00 178.16 179.07 1c8k h LEU 549 N 0.79 0.66 -0.11 2.82 5.85 -1.03 -1.71 115.31 122.57 1c8k h LEU 549 Ca 0.49 0.01 -0.21 0.00 0.84 0.00 0.00 57.88 59.01 1c8k h LEU 549 Cb 0.71 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 1c8k h LEU 549 CO -0.26 0.45 -0.97 -0.33 -0.34 0.00 0.00 178.44 176.99 1c8k h GLU 550 N 0.79 0.05 0.20 1.25 5.08 -1.28 0.14 114.58 120.81 1c8k h GLU 550 Ca 0.28 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 1c8k h GLU 550 Cb 0.06 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1c8k h GLU 550 CO -0.13 0.97 -0.10 0.00 -1.00 0.00 0.00 179.01 178.76 1c8k h ARG 551 N 0.02 -0.26 0.00 2.33 3.08 -0.59 -2.77 114.38 116.18 1c8k h ARG 551 Ca -0.03 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1c8k h ARG 551 Cb 1.68 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.79 1c8k h ARG 551 CO 0.13 -0.18 -0.67 0.93 -1.07 0.00 0.00 179.97 179.11 1c8k h GLU 552 N -0.28 0.00 0.00 0.04 3.07 -1.49 -3.40 114.58 112.52 1c8k h GLU 552 Ca -0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1c8k h GLU 552 Cb 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.12 1c8k h GLU 552 CO 0.05 0.00 -0.77 0.66 -1.40 0.00 0.00 179.01 177.54 1c8k n TYR 553 N -2.51 0.00 -2.67 4.33 4.01 -0.72 -5.09 117.16 114.52 1c8k n TYR 553 Ca 0.02 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.73 1c8k n TYR 553 Cb 0.50 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.51 1c8k n TYR 553 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1c8k n LYS 554 N -1.18 -3.28 0.00 -0.72 5.02 0.42 -4.94 118.16 113.47 1c8k n LYS 554 Ca 0.00 2.53 0.00 0.00 -2.02 0.00 0.00 58.31 58.82 1c8k n LYS 554 Cb 0.00 -3.31 0.00 0.00 -0.02 0.00 0.00 35.03 31.70 1c8k n LYS 554 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1c8k n VAL 555 N 2.03 0.00 -0.86 -0.18 0.24 -1.26 -4.99 118.33 113.30 1c8k n VAL 555 Ca -0.20 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 1c8k n VAL 555 Cb 0.32 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.69 1c8k n VAL 555 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 1c8k n HIS 556 N 0.00 0.00 -3.81 6.34 -0.00 -1.26 -5.07 115.22 111.42 1c8k n HIS 556 Ca 0.00 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.08 1c8k n HIS 556 Cb 0.00 -0.17 -0.07 0.00 -0.12 0.00 0.00 29.99 29.63 1c8k n HIS 556 CO 0.00 0.00 0.00 0.96 0.46 0.00 0.00 176.34 177.76 1c8k s ILE 557 N -3.10 0.12 -0.36 3.57 -4.36 -1.26 -5.09 121.20 110.71 1c8k s ILE 557 Ca 0.00 -0.95 -0.16 0.00 -0.26 0.00 0.00 60.65 59.28 1c8k s ILE 557 Cb 0.00 -1.14 -0.00 0.00 1.25 0.00 0.00 42.46 42.57 1c8k s ILE 557 CO 0.00 -0.52 0.41 0.21 0.24 0.00 0.00 174.94 175.27 1c8k s ASN 558 N -2.51 6.21 0.00 4.36 2.47 -1.26 -4.95 114.94 119.25 1c8k s ASN 558 Ca 0.00 -0.31 0.13 0.00 0.42 0.00 0.00 52.86 53.11 1c8k s ASN 558 Cb 0.02 -2.22 0.75 0.00 -1.45 0.00 0.00 41.25 38.36 1c8k s ASN 558 CO -0.08 -0.42 1.26 -2.65 -3.72 0.00 0.00 177.10 171.49 1c8k n PRO 559 N 5.50 0.34 0.00 0.43 -0.02 -1.26 -2.33 135.00 137.66 1c8k n PRO 559 Ca -0.08 0.06 0.11 0.00 -2.02 0.00 0.00 63.50 61.57 1c8k n PRO 559 Cb 0.49 -1.50 0.01 0.00 -0.02 0.00 0.00 33.50 32.47 1c8k n PRO 559 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1c8k n ASN 560 N -1.10 0.76 -4.80 2.55 5.03 -1.26 -4.88 115.26 111.56 1c8k n ASN 560 Ca 0.09 -0.63 -0.29 0.00 0.87 0.00 0.00 54.58 54.61 1c8k n ASN 560 Cb 0.07 0.79 0.10 0.00 -1.02 0.00 0.00 39.78 39.72 1c8k n ASN 560 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1c8k s SER 561 N -3.19 4.32 -0.06 6.41 1.04 -0.98 -4.95 113.70 116.29 1c8k s SER 561 Ca 0.08 0.70 -0.30 0.00 0.48 0.00 0.00 55.95 56.91 1c8k s SER 561 Cb 0.16 -1.13 -0.02 0.00 0.10 0.00 0.00 66.02 65.13 1c8k s SER 561 CO 0.81 -2.01 1.00 -0.22 0.98 0.00 0.00 173.24 173.79 1c8k s LEU 562 N -5.61 4.30 -0.64 2.42 0.20 0.26 -4.81 118.68 114.80 1c8k s LEU 562 Ca 0.64 1.59 -0.22 0.00 0.69 0.00 0.00 54.13 56.83 1c8k s LEU 562 Cb -0.10 -3.56 0.07 0.00 -0.43 0.00 0.00 46.19 42.17 1c8k s LEU 562 CO 0.49 -0.36 0.91 -0.36 -0.29 0.00 0.00 176.35 176.75 1c8k s PHE 563 N 1.55 2.74 -0.53 5.38 0.40 -1.26 -0.14 117.98 126.12 1c8k s PHE 563 Ca 0.50 -0.58 -0.18 0.00 -0.60 0.00 0.00 56.93 56.07 1c8k s PHE 563 Cb -0.20 -4.22 0.08 0.00 0.51 0.00 0.00 43.02 39.20 1c8k s PHE 563 CO 0.23 -1.56 0.60 0.34 0.70 0.00 0.00 175.22 175.53 1c8k s ASP 564 N 3.59 6.20 -0.01 1.36 -1.08 0.32 -1.65 116.67 125.39 1c8k s ASP 564 Ca 0.21 -1.22 0.06 0.00 -0.52 0.00 0.00 52.55 51.08 1c8k s ASP 564 Cb -0.18 -2.27 -0.02 0.00 -1.46 0.00 0.00 42.92 39.00 1c8k s ASP 564 CO 0.10 -0.92 -0.19 0.54 0.52 0.00 0.00 175.17 175.22 1c8k s VAL 565 N 2.41 1.52 -0.26 1.11 0.11 -0.63 0.68 120.40 125.34 1c8k s VAL 565 Ca 0.11 -0.83 -0.01 0.00 -2.93 0.00 0.00 61.98 58.33 1c8k s VAL 565 Cb -0.22 -1.27 0.08 0.00 -1.53 0.00 0.00 36.38 33.44 1c8k s VAL 565 CO 0.09 0.43 0.04 -1.58 -3.33 0.00 0.00 175.10 170.74 1c8k s GLN 566 N -0.46 0.99 -0.12 1.54 0.74 -0.01 -1.91 119.66 120.43 1c8k s GLN 566 Ca 0.07 -0.94 0.01 0.00 0.05 0.00 0.00 55.36 54.55 1c8k s GLN 566 Cb -0.07 -2.27 0.02 0.00 1.10 0.00 0.00 33.01 31.79 1c8k s GLN 566 CO -0.01 -0.79 -0.13 0.14 -0.55 0.00 0.00 175.29 173.95 1c8k s VAL 567 N 1.57 1.37 0.00 1.34 -7.23 -1.26 -1.85 120.40 114.34 1c8k s VAL 567 Ca 0.03 -0.53 0.00 0.00 -1.81 0.00 0.00 61.98 59.67 1c8k s VAL 567 Cb -0.18 -1.29 0.00 0.00 0.56 0.00 0.00 36.38 35.48 1c8k s VAL 567 CO -0.14 0.42 0.00 2.29 -0.31 0.00 0.00 175.10 177.35 1c8k n LYS 568 N 4.52 -1.00 -1.77 4.82 0.00 -0.92 -4.99 118.16 118.81 1c8k n LYS 568 Ca -0.17 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 57.75 1c8k n LYS 568 Cb 0.51 0.00 0.04 0.00 -0.00 0.00 0.00 35.03 35.57 1c8k n LYS 568 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1c8k s ARG 569 N -2.00 3.28 -0.07 -1.58 1.81 -1.26 -3.96 118.95 115.16 1c8k s ARG 569 Ca 0.00 2.30 -0.30 0.00 -1.72 0.00 0.00 55.73 56.02 1c8k s ARG 569 Cb 0.00 -2.37 -0.04 0.00 -0.45 0.00 0.00 34.95 32.10 1c8k s ARG 569 CO 0.00 -1.10 1.32 0.42 -0.68 0.00 0.00 175.30 175.26 1c8k s ILE 570 N -1.27 4.04 0.04 1.52 -1.09 -0.76 -4.89 121.20 118.79 1c8k s ILE 570 Ca 0.69 1.34 -0.10 0.00 -2.23 0.00 0.00 60.65 60.35 1c8k s ILE 570 Cb -0.42 -3.86 0.01 0.00 -1.58 0.00 0.00 42.46 36.60 1c8k s ILE 570 CO 0.51 -0.05 0.21 -1.00 -1.23 0.00 0.00 174.94 173.37 1c8k s HIS 571 N 2.86 0.03 0.16 3.97 3.76 -1.26 -4.76 115.29 120.06 1c8k s HIS 571 Ca 0.60 -0.23 -0.04 0.00 -0.15 0.00 0.00 55.06 55.24 1c8k s HIS 571 Cb -0.26 -0.01 0.01 0.00 1.11 0.00 0.00 32.58 33.42 1c8k s HIS 571 CO 0.22 -0.43 1.40 0.93 -0.85 0.00 0.00 174.74 176.01 1c8k h GLU 572 N 3.48 0.47 0.00 1.40 5.08 -1.97 -3.10 114.58 119.94 1c8k h GLU 572 Ca -0.32 -0.40 -0.03 0.00 -1.00 0.00 0.00 59.36 57.61 1c8k h GLU 572 Cb 1.19 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 1c8k h GLU 572 CO 0.47 1.03 -0.17 0.10 -1.00 0.00 0.00 179.01 179.45 1c8k h TYR 573 N 0.32 0.00 0.00 4.33 -0.00 -1.98 -2.55 116.97 117.10 1c8k h TYR 573 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.69 1c8k h TYR 573 Cb 1.35 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.08 1c8k h TYR 573 CO 0.05 0.17 -0.05 1.63 -0.00 0.00 0.00 178.16 179.96 1c8k n LYS 574 N -3.33 0.18 -3.59 0.10 5.02 -1.18 -3.09 118.16 112.28 1c8k n LYS 574 Ca 0.00 0.14 -0.21 0.00 -2.02 0.00 0.00 58.31 56.22 1c8k n LYS 574 Cb 0.40 -1.70 0.07 0.00 -0.02 0.00 0.00 35.03 33.77 1c8k n LYS 574 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1c8k n ARG 575 N -2.01 -6.52 0.29 1.97 1.74 -0.96 -4.05 116.66 107.11 1c8k n ARG 575 Ca 0.06 0.77 0.16 0.00 -0.77 0.00 0.00 57.85 58.06 1c8k n ARG 575 Cb 0.40 -5.69 0.89 0.00 -1.02 0.00 0.00 32.46 27.04 1c8k n ARG 575 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1c8k h GLN 576 N -2.14 0.00 -0.56 5.56 7.50 -1.85 -0.56 115.11 123.06 1c8k h GLN 576 Ca -0.59 0.00 -0.07 0.00 0.50 0.00 0.00 58.65 58.49 1c8k h GLN 576 Cb 1.36 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.86 1c8k h GLN 576 CO 0.55 0.04 0.06 -0.07 -1.50 0.00 0.00 178.83 177.91 1c8k h LEU 577 N 0.00 0.87 -0.66 1.46 3.38 -1.89 -1.19 115.31 117.29 1c8k h LEU 577 Ca -0.00 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 1c8k h LEU 577 Cb 0.15 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1c8k h LEU 577 CO 0.01 0.90 0.29 0.25 0.09 0.00 0.00 178.44 179.97 1c8k h LEU 578 N 0.86 0.88 -0.56 1.67 5.85 -1.47 -1.29 115.31 121.25 1c8k h LEU 578 Ca 0.17 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.76 1c8k h LEU 578 Cb 0.42 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 1c8k h LEU 578 CO 0.01 0.79 0.34 -1.13 -0.34 0.00 0.00 178.44 178.12 1c8k h ASN 579 N 0.91 0.56 -0.66 1.25 -0.00 -1.27 -2.12 115.58 114.25 1c8k h ASN 579 Ca 0.22 0.00 0.05 0.00 -0.00 0.00 0.00 56.30 56.57 1c8k h ASN 579 Cb 0.17 -0.12 -0.05 0.00 -0.00 0.00 0.00 38.32 38.32 1c8k h ASN 579 CO -0.02 0.39 0.37 0.00 -0.00 0.00 0.00 177.43 178.17 1c8k h LEU 581 N 0.70 1.11 -0.31 0.00 3.38 -0.63 -1.06 115.31 118.51 1c8k h LEU 581 Ca 0.29 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.18 1c8k h LEU 581 Cb 0.14 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1c8k h LEU 581 CO -0.16 0.77 -0.02 -0.74 0.09 0.00 0.00 178.44 178.38 1c8k h HIS 582 N 1.30 0.62 -0.73 1.13 2.76 -0.77 -1.51 115.15 117.96 1c8k h HIS 582 Ca 0.39 -0.12 0.03 0.00 -2.20 0.00 0.00 60.37 58.47 1c8k h HIS 582 Cb -0.05 -0.16 -0.04 0.00 1.55 0.00 0.00 27.41 28.71 1c8k h HIS 582 CO -0.00 0.71 0.46 0.28 -1.30 0.00 0.00 177.93 178.09 1c8k h VAL 583 N 0.35 1.11 -0.33 5.26 2.07 -0.67 -0.35 116.25 123.68 1c8k h VAL 583 Ca 0.08 -0.31 -0.09 0.00 0.82 0.00 0.00 66.70 67.20 1c8k h VAL 583 Cb 0.48 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1c8k h VAL 583 CO 0.02 0.17 -0.17 0.40 0.02 0.00 0.00 177.57 178.01 1c8k h ILE 584 N 0.91 1.25 -0.35 4.57 2.04 -1.11 -1.85 117.51 122.97 1c8k h ILE 584 Ca 0.29 -1.18 -0.02 0.00 1.00 0.00 0.00 64.86 64.96 1c8k h ILE 584 Cb 0.01 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 1c8k h ILE 584 CO -0.11 0.39 0.16 0.74 0.00 0.00 0.00 178.15 179.33 1c8k h THR 585 N 0.55 1.17 -0.44 -0.27 2.02 -0.33 0.14 112.91 115.74 1c8k h THR 585 Ca 0.09 -0.50 0.03 0.00 0.77 0.00 0.00 66.41 66.80 1c8k h THR 585 Cb 0.60 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.83 1c8k h THR 585 CO 0.04 0.18 0.24 -0.07 0.37 0.00 0.00 175.52 176.28 1c8k h LEU 586 N 0.43 0.36 -0.05 2.58 4.07 -0.85 -0.64 115.31 121.21 1c8k h LEU 586 Ca 0.12 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.10 1c8k h LEU 586 Cb 0.14 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 41.81 1c8k h LEU 586 CO -0.01 0.26 0.01 0.22 -1.08 0.00 0.00 178.44 177.84 1c8k h TYR 587 N 0.48 0.03 -0.38 1.13 3.20 -0.99 -2.05 116.97 118.39 1c8k h TYR 587 Ca 0.18 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.03 1c8k h TYR 587 Cb 0.06 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 1c8k h TYR 587 CO -0.09 0.01 0.12 -0.91 -1.64 0.00 0.00 178.16 175.66 1c8k h ASN 588 N 0.04 0.50 -0.13 -2.11 2.35 -0.62 -1.57 115.58 114.04 1c8k h ASN 588 Ca 0.02 -0.06 -0.14 0.00 -0.55 0.00 0.00 56.30 55.57 1c8k h ASN 588 Cb 0.01 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 1c8k h ASN 588 CO -0.02 0.48 -0.40 0.03 -1.65 0.00 0.00 177.43 175.87 1c8k h ARG 589 N 0.54 0.66 -0.40 0.81 3.08 -0.84 -2.01 114.38 116.23 1c8k h ARG 589 Ca 0.13 -0.34 -0.08 0.00 0.07 0.00 0.00 59.98 59.77 1c8k h ARG 589 Cb 0.17 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1c8k h ARG 589 CO -0.01 0.94 -0.05 0.82 -1.07 0.00 0.00 179.97 180.60 1c8k h ILE 590 N 0.54 1.27 0.00 2.04 2.04 -0.92 -1.91 117.51 120.57 1c8k h ILE 590 Ca 0.05 -1.10 -0.03 0.00 1.00 0.00 0.00 64.86 64.78 1c8k h ILE 590 Cb 0.92 1.18 -0.00 0.00 -0.74 0.00 0.00 36.82 38.18 1c8k h ILE 590 CO 0.08 0.37 -0.14 0.11 0.00 0.00 0.00 178.15 178.57 1c8k h LYS 591 N 0.55 0.00 0.11 2.37 1.79 -1.18 -0.11 116.57 120.10 1c8k h LYS 591 Ca 0.11 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.32 1c8k h LYS 591 Cb 0.55 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.23 1c8k h LYS 591 CO 0.03 0.14 -1.08 -0.22 -1.08 0.00 0.00 179.45 177.24 1c8k h LYS 592 N 0.00 0.53 -2.46 3.15 1.63 -1.01 -3.39 116.57 115.02 1c8k h LYS 592 Ca -0.00 -0.72 -0.59 0.00 -0.85 0.00 0.00 60.65 58.48 1c8k h LYS 592 Cb 0.30 0.24 -0.40 0.00 -0.60 0.00 0.00 32.23 31.77 1c8k h LYS 592 CO 0.02 1.32 -0.83 0.39 -3.45 0.00 0.00 179.45 176.89 1c8k n GLU 593 N -3.92 1.10 -0.28 1.90 1.02 -0.75 -4.99 120.64 114.72 1c8k n GLU 593 Ca -0.13 -3.77 0.05 0.00 -0.02 0.00 0.00 57.16 53.29 1c8k n GLU 593 Cb 0.91 -1.84 0.20 0.00 -0.02 0.00 0.00 31.44 30.69 1c8k n GLU 593 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1c8k h PRO 594 N 5.02 0.60 -0.87 3.49 0.11 -1.23 -2.68 132.00 136.44 1c8k h PRO 594 Ca 0.19 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 66.15 1c8k h PRO 594 Cb 0.82 -0.14 -0.06 0.00 0.11 0.00 0.00 31.00 31.73 1c8k h PRO 594 CO 0.56 0.40 0.14 0.09 -0.21 0.00 0.00 178.00 178.97 1c8k n ASN 595 N -4.87 3.44 -4.83 -2.05 4.13 -1.26 -4.85 115.26 104.97 1c8k n ASN 595 Ca 0.15 -2.62 -0.36 0.00 1.68 0.00 0.00 54.58 53.42 1c8k n ASN 595 Cb 0.38 -0.63 -0.07 0.00 -1.54 0.00 0.00 39.78 37.92 1c8k n ASN 595 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1c8k s LYS 596 N -1.83 3.34 0.16 3.52 2.36 -1.01 -5.08 119.74 121.20 1c8k s LYS 596 Ca 0.29 -0.20 -0.30 0.00 -2.55 0.00 0.00 55.97 53.21 1c8k s LYS 596 Cb 0.23 -3.10 -0.07 0.00 -1.05 0.00 0.00 37.83 33.84 1c8k s LYS 596 CO 0.07 0.76 0.98 0.12 1.55 0.00 0.00 175.35 178.82 1c8k s PHE 597 N -0.98 3.83 0.01 4.03 5.36 -1.26 -5.05 117.98 123.93 1c8k s PHE 597 Ca 0.14 1.81 0.00 0.00 -0.96 0.00 0.00 56.93 57.93 1c8k s PHE 597 Cb -0.12 -3.07 -0.01 0.00 -0.34 0.00 0.00 43.02 39.48 1c8k s PHE 597 CO 0.04 0.16 -0.03 0.14 -1.46 0.00 0.00 175.22 174.07 1c8k s VAL 598 N -0.40 0.14 0.08 3.12 -7.23 -1.26 -5.11 120.40 109.74 1c8k s VAL 598 Ca 0.45 -0.58 -0.31 0.00 -1.81 0.00 0.00 61.98 59.74 1c8k s VAL 598 Cb -0.25 -0.22 -0.09 0.00 0.56 0.00 0.00 36.38 36.38 1c8k s VAL 598 CO 0.31 -0.28 1.74 -0.69 -0.31 0.00 0.00 175.10 175.88 1c8k s VAL 599 N -0.88 2.87 0.46 1.32 1.01 -1.26 -4.94 120.40 118.99 1c8k s VAL 599 Ca -0.09 0.30 -0.24 0.00 0.00 0.00 0.00 61.98 61.95 1c8k s VAL 599 Cb -0.06 -3.19 -0.07 0.00 0.00 0.00 0.00 36.38 33.05 1c8k s VAL 599 CO -0.00 -0.00 1.30 -2.84 0.00 0.00 0.00 175.10 173.55 1c8k s PRO 600 N 2.87 3.68 0.02 2.72 0.02 -1.26 -4.91 135.00 138.13 1c8k s PRO 600 Ca 0.78 2.13 0.00 0.00 0.02 0.00 0.00 61.00 63.93 1c8k s PRO 600 Cb -0.42 -2.54 -0.02 0.00 0.02 0.00 0.00 34.50 31.54 1c8k s PRO 600 CO 0.34 -0.72 -0.03 1.03 -0.33 0.00 0.00 177.00 177.30 1c8k s ARG 601 N -2.53 0.25 -0.27 5.54 0.52 -0.55 -0.57 118.95 121.34 1c8k s ARG 601 Ca 0.62 -0.47 0.03 0.00 -0.52 0.00 0.00 55.73 55.39 1c8k s ARG 601 Cb -0.37 0.06 0.07 0.00 0.52 0.00 0.00 34.95 35.23 1c8k s ARG 601 CO 0.47 -0.03 -0.06 0.99 0.02 0.00 0.00 175.30 176.68 1c8k s THR 602 N -1.11 2.01 -0.25 0.02 2.01 0.80 -2.44 115.64 116.69 1c8k s THR 602 Ca -0.12 -1.66 -0.11 0.00 0.31 0.00 0.00 61.69 60.10 1c8k s THR 602 Cb -0.08 -2.23 -0.05 0.00 0.01 0.00 0.00 72.50 70.16 1c8k s THR 602 CO -0.01 -0.16 0.19 0.68 -0.69 0.00 0.00 174.62 174.63 1c8k s VAL 603 N 1.15 5.33 -0.15 3.82 -7.23 -0.40 -0.52 120.40 122.40 1c8k s VAL 603 Ca -0.04 0.23 -0.01 0.00 -1.81 0.00 0.00 61.98 60.36 1c8k s VAL 603 Cb -0.19 -3.53 -0.01 0.00 0.56 0.00 0.00 36.38 33.20 1c8k s VAL 603 CO -0.06 0.31 -0.12 -0.04 -0.31 0.00 0.00 175.10 174.87 1c8k s MET 604 N 1.28 3.35 -0.08 4.82 -1.94 0.21 -1.45 119.30 125.50 1c8k s MET 604 Ca 0.09 -0.69 0.02 0.00 -1.71 0.00 0.00 55.69 53.40 1c8k s MET 604 Cb -0.14 -2.67 0.01 0.00 2.01 0.00 0.00 34.83 34.03 1c8k s MET 604 CO 0.06 0.13 -0.14 0.42 -0.01 0.00 0.00 175.02 175.48 1c8k s ILE 605 N 0.57 1.32 0.04 2.53 1.01 -0.41 -0.83 121.20 125.43 1c8k s ILE 605 Ca -0.08 -0.58 -0.08 0.00 0.00 0.00 0.00 60.65 59.91 1c8k s ILE 605 Cb -0.16 -1.19 -0.00 0.00 0.01 0.00 0.00 42.46 41.12 1c8k s ILE 605 CO 0.03 0.40 0.15 -0.83 0.00 0.00 0.00 174.94 174.70 1c8k s GLY 606 N 0.66 0.09 0.00 6.18 0.00 -0.77 0.01 107.32 113.48 1c8k s GLY 606 Ca -0.14 -0.40 0.00 0.00 0.00 0.00 0.00 44.72 44.18 1c8k s GLY 606 CO 0.04 -0.56 0.00 0.61 0.00 0.00 0.00 173.10 173.19 1c8k n GLY 607 N 0.71 3.80 3.91 0.20 0.00 -1.25 -2.18 105.19 110.37 1c8k n GLY 607 Ca -0.19 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.66 1c8k n GLY 607 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c8k s LYS 608 N -2.51 3.52 -0.08 1.61 1.02 -1.26 -4.62 119.74 117.42 1c8k s LYS 608 Ca 0.00 -0.25 -0.01 0.00 0.02 0.00 0.00 55.97 55.72 1c8k s LYS 608 Cb 0.00 -2.98 -0.03 0.00 -0.52 0.00 0.00 37.83 34.30 1c8k s LYS 608 CO 0.00 0.57 -0.01 0.00 -0.92 0.00 0.00 175.35 174.99 1c8k s ALA 609 N -1.52 3.24 0.34 5.17 0.00 -1.26 -1.82 121.76 125.90 1c8k s ALA 609 Ca 0.36 -0.82 -0.29 0.00 0.00 0.00 0.00 51.96 51.21 1c8k s ALA 609 Cb -0.13 -1.44 -0.11 0.00 0.00 0.00 0.00 23.12 21.44 1c8k s ALA 609 CO 0.24 0.58 1.55 0.00 0.00 0.00 0.00 175.76 178.14 1c8k s ALA 610 N -0.87 3.67 0.38 0.00 0.00 -1.26 -4.86 121.76 118.82 1c8k s ALA 610 Ca 0.13 1.60 0.16 0.00 0.00 0.00 0.00 51.96 53.84 1c8k s ALA 610 Cb -0.11 -3.64 1.03 0.00 0.00 0.00 0.00 23.12 20.40 1c8k s ALA 610 CO 0.02 -1.05 1.78 -1.35 0.00 0.00 0.00 175.76 175.16 1c8k h PRO 611 N 3.86 0.45 -0.10 0.00 0.11 -1.98 -1.52 132.00 132.82 1c8k h PRO 611 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1c8k h PRO 611 Cb 1.23 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1c8k h PRO 611 CO 0.71 0.30 0.00 0.41 -0.21 0.00 0.00 178.00 179.21 1c8k n GLY 612 N -1.44 0.44 3.49 -0.55 0.00 -1.26 -4.74 105.19 101.13 1c8k n GLY 612 Ca 0.25 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 1c8k n GLY 612 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1c8k s TYR 613 N -1.89 3.04 0.16 1.61 6.14 -0.58 -4.89 117.35 120.94 1c8k s TYR 613 Ca 0.35 -1.46 -0.19 0.00 0.64 0.00 0.00 57.07 56.40 1c8k s TYR 613 Cb 0.20 -4.43 0.06 0.00 0.42 0.00 0.00 41.96 38.21 1c8k s TYR 613 CO 0.31 -1.60 1.66 1.25 0.64 0.00 0.00 175.55 177.81 1c8k h HIS 614 N 8.55 -0.36 -0.69 4.97 -0.00 -1.85 -1.89 115.15 123.88 1c8k h HIS 614 Ca 0.23 0.03 0.03 0.00 -0.00 0.00 0.00 60.37 60.67 1c8k h HIS 614 Cb 0.97 0.21 -0.05 0.00 -0.00 0.00 0.00 27.41 28.54 1c8k h HIS 614 CO 1.20 -0.22 0.43 1.98 -0.00 0.00 0.00 177.93 181.32 1c8k h MET 615 N -0.10 0.80 -0.57 5.26 -1.53 -1.98 -0.71 114.93 116.10 1c8k h MET 615 Ca 0.16 -0.05 -0.01 0.00 -3.44 0.00 0.00 59.70 56.36 1c8k h MET 615 Cb 0.34 -0.18 -0.03 0.00 -0.55 0.00 0.00 31.60 31.18 1c8k h MET 615 CO -0.37 0.53 0.32 0.00 0.14 0.00 0.00 176.91 177.52 1c8k h ALA 616 N 1.31 1.48 0.00 0.39 0.00 -1.77 -0.97 119.26 119.69 1c8k h ALA 616 Ca 0.28 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 1c8k h ALA 616 Cb 0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1c8k h ALA 616 CO -0.12 0.43 -0.65 0.87 0.00 0.00 0.00 179.25 179.79 1c8k h LYS 617 N 0.79 0.00 -0.14 0.00 1.57 -0.57 -2.79 116.57 115.43 1c8k h LYS 617 Ca 0.20 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.85 1c8k h LYS 617 Cb 0.02 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1c8k h LYS 617 CO -0.03 0.65 -0.51 0.52 -0.57 0.00 0.00 179.45 179.50 1c8k h MET 618 N 0.00 0.39 -0.38 3.15 2.86 -0.11 -2.76 114.93 118.08 1c8k h MET 618 Ca -0.01 -0.23 -0.12 0.00 -2.06 0.00 0.00 59.70 57.28 1c8k h MET 618 Cb 1.17 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.83 1c8k h MET 618 CO 0.08 0.81 -0.26 0.82 1.06 0.00 0.00 176.91 179.42 1c8k h ILE 619 N 0.31 1.27 -0.66 -1.22 2.04 -1.04 -1.32 117.51 116.88 1c8k h ILE 619 Ca 0.01 -1.39 -0.04 0.00 1.00 0.00 0.00 64.86 64.44 1c8k h ILE 619 Cb 1.00 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 38.31 1c8k h ILE 619 CO 0.09 0.46 0.25 0.40 0.00 0.00 0.00 178.15 179.35 1c8k h ILE 620 N 0.67 1.24 -0.58 -0.67 2.04 -1.38 -0.79 117.51 118.04 1c8k h ILE 620 Ca 0.09 -0.79 -0.07 0.00 1.00 0.00 0.00 64.86 65.09 1c8k h ILE 620 Cb 0.78 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 1c8k h ILE 620 CO 0.06 0.31 0.08 0.50 0.00 0.00 0.00 178.15 179.10 1c8k h LYS 621 N 0.95 0.94 -0.36 2.37 1.63 -1.23 -1.91 116.57 118.96 1c8k h LYS 621 Ca 0.22 -0.24 -0.01 0.00 -0.85 0.00 0.00 60.65 59.77 1c8k h LYS 621 Cb 0.23 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.73 1c8k h LYS 621 CO -0.01 0.88 0.17 1.25 -3.45 0.00 0.00 179.45 178.28 1c8k h LEU 622 N 0.89 0.47 -0.31 5.20 6.46 -0.75 0.56 115.31 127.83 1c8k h LEU 622 Ca 0.18 -0.13 0.03 0.00 -0.12 0.00 0.00 57.88 57.84 1c8k h LEU 622 Cb 0.41 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.19 1c8k h LEU 622 CO 0.01 0.47 0.13 0.40 -0.62 0.00 0.00 178.44 178.83 1c8k h ILE 623 N 0.44 0.96 -0.07 4.05 2.04 -0.80 0.53 117.51 124.66 1c8k h ILE 623 Ca 0.12 -0.10 -0.10 0.00 1.00 0.00 0.00 64.86 65.78 1c8k h ILE 623 Cb 0.13 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1c8k h ILE 623 CO -0.01 0.05 -0.43 0.71 0.00 0.00 0.00 178.15 178.47 1c8k h THR 624 N 0.29 1.31 -0.55 -0.27 1.35 -1.18 -2.41 112.91 111.45 1c8k h THR 624 Ca 0.13 -1.53 -0.09 0.00 -0.55 0.00 0.00 66.41 64.37 1c8k h THR 624 Cb 0.07 1.74 -0.02 0.00 -1.73 0.00 0.00 68.15 68.21 1c8k h THR 624 CO -0.11 0.45 -0.02 0.00 -0.25 0.00 0.00 175.52 175.58 1c8k h ALA 625 N 1.44 0.92 -0.42 6.62 0.00 -0.08 -1.41 119.26 126.33 1c8k h ALA 625 Ca 0.01 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 1c8k h ALA 625 Cb 0.81 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1c8k h ALA 625 CO 0.06 0.64 0.04 0.82 0.00 0.00 0.00 179.25 180.81 1c8k h ILE 626 N 0.88 1.25 -0.51 0.00 2.04 -0.67 -2.83 117.51 117.67 1c8k h ILE 626 Ca 0.16 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 65.06 1c8k h ILE 626 Cb 0.55 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 1c8k h ILE 626 CO 0.03 0.32 0.26 1.23 0.00 0.00 0.00 178.15 179.99 1c8k h GLY 627 N 0.56 0.76 0.97 5.37 0.00 -1.16 -0.01 103.07 109.56 1c8k h GLY 627 Ca 0.12 -0.34 0.01 0.00 0.00 0.00 0.00 47.33 47.13 1c8k h GLY 627 CO 0.01 0.32 0.51 -0.55 0.00 0.00 0.00 176.54 176.84 1c8k h ASP 628 N 0.71 0.88 0.21 0.19 3.32 -1.02 0.69 116.42 121.40 1c8k h ASP 628 Ca 0.18 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 1c8k h ASP 628 Cb 0.05 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.39 1c8k h ASP 628 CO -0.03 0.63 -0.10 0.58 -1.72 0.00 0.00 179.24 178.60 1c8k h VAL 629 N 1.03 0.00 -0.54 -1.35 2.07 -1.31 -3.33 116.25 112.82 1c8k h VAL 629 Ca 0.29 -0.65 0.06 0.00 0.82 0.00 0.00 66.70 67.22 1c8k h VAL 629 Cb -0.09 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.63 1c8k h VAL 629 CO -0.08 0.00 0.25 0.58 0.02 0.00 0.00 177.57 178.34 1c8k h VAL 630 N -0.93 0.90 0.00 2.57 2.07 -1.03 -2.62 116.25 117.20 1c8k h VAL 630 Ca -0.03 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1c8k h VAL 630 Cb 0.22 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1c8k h VAL 630 CO 0.05 0.09 0.00 0.59 0.02 0.00 0.00 177.57 178.31 1c8k n ASN 631 N -4.92 0.00 -0.03 0.57 3.02 0.23 -2.94 115.26 111.19 1c8k n ASN 631 Ca 0.06 0.36 0.02 0.00 -0.03 0.00 0.00 54.58 54.99 1c8k n ASN 631 Cb 0.18 -0.43 0.03 0.00 -0.61 0.00 0.00 39.78 38.95 1c8k n ASN 631 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1c8k n HIS 632 N -1.43 0.00 -2.94 3.10 8.25 -1.01 -4.96 115.22 116.23 1c8k n HIS 632 Ca 0.05 -0.58 -0.42 0.00 -0.26 0.00 0.00 57.72 56.51 1c8k n HIS 632 Cb 0.16 -0.07 -0.05 0.00 1.12 0.00 0.00 29.99 31.15 1c8k n HIS 632 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1c8k s ASP 633 N -1.38 6.62 0.32 0.41 -1.08 -1.11 -4.93 116.67 115.52 1c8k s ASP 633 Ca 0.08 0.55 0.00 0.00 -0.52 0.00 0.00 52.55 52.66 1c8k s ASP 633 Cb 0.07 -2.41 0.54 0.00 -1.46 0.00 0.00 42.92 39.66 1c8k s ASP 633 CO 0.01 -0.66 1.98 -0.65 0.52 0.00 0.00 175.17 176.36 1c8k h PRO 634 N 8.26 0.94 -0.27 4.34 0.11 -1.93 -2.51 132.00 140.94 1c8k h PRO 634 Ca -0.24 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.78 1c8k h PRO 634 Cb 1.09 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 1c8k h PRO 634 CO 0.90 0.64 0.10 0.28 -0.21 0.00 0.00 178.00 179.70 1c8k h VAL 635 N 0.96 1.11 -0.17 3.15 2.07 -1.98 -2.49 116.25 118.92 1c8k h VAL 635 Ca 0.26 -0.37 -0.17 0.00 0.82 0.00 0.00 66.70 67.24 1c8k h VAL 635 Cb -0.08 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1c8k h VAL 635 CO -0.05 0.14 -0.59 0.58 0.02 0.00 0.00 177.57 177.66 1c8k h VAL 636 N 0.38 1.33 0.00 2.57 2.07 -1.79 -3.48 116.25 117.32 1c8k h VAL 636 Ca 0.09 -1.86 0.00 0.00 0.82 0.00 0.00 66.70 65.75 1c8k h VAL 636 Cb 0.10 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1c8k h VAL 636 CO -0.01 0.58 0.00 0.61 0.02 0.00 0.00 177.57 178.77 1c8k n GLY 637 N 0.33 2.85 1.53 2.17 0.00 -0.94 -2.38 105.19 108.76 1c8k n GLY 637 Ca -0.04 -0.37 0.08 0.00 0.00 0.00 0.00 46.02 45.69 1c8k n GLY 637 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1c8k n ASP 638 N 1.93 4.55 0.21 1.61 5.68 -1.26 -4.34 116.55 124.93 1c8k n ASP 638 Ca 0.00 -2.50 0.11 0.00 -0.50 0.00 0.00 54.79 51.90 1c8k n ASP 638 Cb 0.00 -0.58 0.18 0.00 -1.14 0.00 0.00 41.12 39.58 1c8k n ASP 638 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 1c8k h ARG 639 N 3.66 0.00 -2.56 0.11 3.08 -1.81 -3.43 114.38 113.43 1c8k h ARG 639 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 1c8k h ARG 639 Cb 1.45 0.00 -0.28 0.00 0.08 0.00 0.00 29.97 31.22 1c8k h ARG 639 CO 0.27 0.06 -0.40 -1.17 -1.07 0.00 0.00 179.97 177.65 1c8k s LEU 640 N -6.24 -0.59 -0.03 3.04 2.96 -1.26 -1.48 118.68 115.09 1c8k s LEU 640 Ca 0.06 0.90 0.05 0.00 -0.22 0.00 0.00 54.13 54.92 1c8k s LEU 640 Cb 0.06 1.23 -0.01 0.00 0.50 0.00 0.00 46.19 47.97 1c8k s LEU 640 CO 0.67 -0.24 -0.17 -0.13 -1.32 0.00 0.00 176.35 175.16 1c8k s ARG 641 N 2.58 1.60 -0.27 1.98 1.81 -1.02 -4.63 118.95 121.00 1c8k s ARG 641 Ca -0.01 -0.62 0.01 0.00 -1.72 0.00 0.00 55.73 53.39 1c8k s ARG 641 Cb -0.12 -1.47 0.05 0.00 -0.45 0.00 0.00 34.95 32.96 1c8k s ARG 641 CO -0.12 0.31 -0.07 0.08 -0.68 0.00 0.00 175.30 174.82 1c8k s VAL 642 N -0.19 2.52 -0.09 3.52 1.01 -1.26 -1.27 120.40 124.64 1c8k s VAL 642 Ca 0.02 -1.48 0.04 0.00 0.00 0.00 0.00 61.98 60.56 1c8k s VAL 642 Cb -0.09 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.84 1c8k s VAL 642 CO 0.01 -0.02 -0.23 -0.63 0.00 0.00 0.00 175.10 174.22 1c8k s ILE 643 N 1.18 2.19 -0.30 2.22 1.09 -0.53 -4.52 121.20 122.53 1c8k s ILE 643 Ca -0.07 -0.99 -0.14 0.00 -1.10 0.00 0.00 60.65 58.35 1c8k s ILE 643 Cb -0.19 -1.83 -0.03 0.00 -1.06 0.00 0.00 42.46 39.34 1c8k s ILE 643 CO -0.04 0.56 0.33 0.12 -0.10 0.00 0.00 174.94 175.81 1c8k s PHE 644 N 0.16 3.23 -0.56 3.97 5.36 -1.26 -1.29 117.98 127.60 1c8k s PHE 644 Ca -0.13 0.19 -0.28 0.00 -0.96 0.00 0.00 56.93 55.75 1c8k s PHE 644 Cb -0.16 -2.57 0.03 0.00 -0.34 0.00 0.00 43.02 39.98 1c8k s PHE 644 CO 0.07 -0.29 1.18 -0.51 -1.46 0.00 0.00 175.22 174.20 1c8k s LEU 645 N 1.99 3.50 0.37 6.12 1.02 0.10 -4.94 118.68 126.83 1c8k s LEU 645 Ca 0.12 0.19 -0.27 0.00 0.02 0.00 0.00 54.13 54.19 1c8k s LEU 645 Cb -0.16 -3.25 -0.09 0.00 0.02 0.00 0.00 46.19 42.70 1c8k s LEU 645 CO 0.11 -1.43 1.25 -0.70 0.02 0.00 0.00 176.35 175.60 1c8k s GLU 646 N 4.83 4.18 -1.41 1.70 2.12 -1.26 -3.87 118.70 124.99 1c8k s GLU 646 Ca 0.44 2.06 -0.05 0.00 0.36 0.00 0.00 54.97 57.79 1c8k s GLU 646 Cb -0.07 -2.88 0.03 0.00 0.26 0.00 0.00 34.13 31.47 1c8k s GLU 646 CO 0.27 -0.28 0.71 -1.71 -0.54 0.00 0.00 175.26 173.70 1c8k n ASN 647 N 0.43 -1.99 -4.68 -1.70 5.15 -1.25 -4.88 115.26 106.34 1c8k n ASN 647 Ca 0.02 -0.87 -0.45 0.00 -0.60 0.00 0.00 54.58 52.68 1c8k n ASN 647 Cb 0.44 -3.68 -0.04 0.00 -0.53 0.00 0.00 39.78 35.97 1c8k n ASN 647 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1c8k n TYR 648 N -4.41 2.44 -3.90 1.20 9.36 -1.26 -4.86 117.16 115.74 1c8k n TYR 648 Ca -0.19 0.10 -0.10 0.00 3.32 0.00 0.00 57.90 61.03 1c8k n TYR 648 Cb 0.63 -2.62 -0.01 0.00 -0.63 0.00 0.00 39.34 36.71 1c8k n TYR 648 CO 0.00 0.00 0.00 -0.98 0.22 0.00 0.00 176.86 176.10 1c8k s ARG 649 N 1.79 2.00 0.17 2.98 1.70 -1.26 -4.74 118.95 121.59 1c8k s ARG 649 Ca 0.81 -1.39 -0.18 0.00 -0.47 0.00 0.00 55.73 54.50 1c8k s ARG 649 Cb -0.61 0.57 0.12 0.00 -0.57 0.00 0.00 34.95 34.46 1c8k s ARG 649 CO 0.39 -0.90 1.64 0.28 -1.08 0.00 0.00 175.30 175.62 1c8k h VAL 650 N 2.05 0.45 -0.06 4.99 2.07 -1.96 0.38 116.25 124.17 1c8k h VAL 650 Ca -0.28 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 1c8k h VAL 650 Cb 1.25 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1c8k h VAL 650 CO 0.36 0.00 -0.10 0.77 0.02 0.00 0.00 177.57 178.62 1c8k h SER 651 N -0.08 0.08 0.00 0.57 4.64 -1.97 -1.39 113.55 115.40 1c8k h SER 651 Ca 0.21 -0.01 -0.24 0.00 -0.47 0.00 0.00 61.79 61.28 1c8k h SER 651 Cb 0.40 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 62.49 1c8k h SER 651 CO -0.49 0.20 -0.91 0.25 -0.87 0.00 0.00 176.83 175.01 1c8k h LEU 652 N 0.09 0.85 -1.08 5.97 5.85 -1.56 -3.13 115.31 122.30 1c8k h LEU 652 Ca 0.02 -0.63 0.06 0.00 0.84 0.00 0.00 57.88 58.17 1c8k h LEU 652 Cb 0.24 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.95 1c8k h LEU 652 CO 0.01 1.42 0.62 0.00 -0.34 0.00 0.00 178.44 180.16 1c8k h ALA 653 N 0.54 1.45 0.00 1.25 0.00 -0.21 0.12 119.26 122.40 1c8k h ALA 653 Ca -0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1c8k h ALA 653 Cb 1.55 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1c8k h ALA 653 CO 0.18 0.41 0.00 0.93 0.00 0.00 0.00 179.25 180.77 1c8k h GLU 654 N 1.11 0.00 0.02 0.00 5.08 -1.23 -2.29 114.58 117.28 1c8k h GLU 654 Ca 0.41 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.41 1c8k h GLU 654 Cb 0.16 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 1c8k h GLU 654 CO -0.15 0.00 -2.01 1.63 -1.00 0.00 0.00 179.01 177.48 1c8k n LYS 655 N -2.71 0.61 -0.02 2.33 5.02 0.30 -4.50 118.16 119.19 1c8k n LYS 655 Ca -0.01 0.36 -0.16 0.00 -2.02 0.00 0.00 58.31 56.48 1c8k n LYS 655 Cb 0.13 -1.62 -0.09 0.00 -0.02 0.00 0.00 35.03 33.43 1c8k n LYS 655 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1c8k h VAL 656 N -0.71 1.39 -0.40 -0.18 -1.51 -1.20 -3.33 116.25 110.31 1c8k h VAL 656 Ca -0.52 -1.90 0.07 0.00 -1.23 0.00 0.00 66.70 63.11 1c8k h VAL 656 Cb 1.61 2.35 -0.06 0.00 -2.13 0.00 0.00 31.29 33.05 1c8k h VAL 656 CO -0.23 0.56 0.00 0.40 -1.23 0.00 0.00 177.57 177.07 1c8k h ILE 657 N 0.01 0.70 0.00 7.19 2.04 -1.66 0.56 117.51 126.35 1c8k h ILE 657 Ca -0.05 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1c8k h ILE 657 Cb 1.19 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 1c8k h ILE 657 CO 0.11 0.02 0.00 -0.65 0.00 0.00 0.00 178.15 177.63 1c8k h PRO 658 N 0.11 0.00 -0.02 2.37 0.11 -1.79 -2.17 132.00 130.60 1c8k h PRO 658 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1c8k h PRO 658 Cb 0.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.39 1c8k h PRO 658 CO -0.33 0.00 -0.08 0.00 -0.21 0.00 0.00 178.00 177.39 1c8k n ALA 659 N -1.92 2.68 -2.09 -0.75 0.00 0.12 -4.75 120.51 113.79 1c8k n ALA 659 Ca -0.00 -0.59 -0.34 0.00 0.00 0.00 0.00 53.44 52.51 1c8k n ALA 659 Cb 0.16 -0.94 -0.06 0.00 0.00 0.00 0.00 19.45 18.60 1c8k n ALA 659 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1c8k s ALA 660 N -2.10 3.33 -0.20 0.00 0.00 -0.76 -4.65 121.76 117.40 1c8k s ALA 660 Ca 0.30 0.12 -0.03 0.00 0.00 0.00 0.00 51.96 52.35 1c8k s ALA 660 Cb 0.20 -2.82 -0.11 0.00 0.00 0.00 0.00 23.12 20.39 1c8k s ALA 660 CO 0.36 0.31 -0.20 -0.25 0.00 0.00 0.00 175.76 175.98 1c8k n ASP 661 N 0.05 2.10 -4.16 0.00 8.00 -0.76 -4.16 116.55 117.62 1c8k n ASP 661 Ca 0.02 0.03 -0.32 0.00 0.71 0.00 0.00 54.79 55.23 1c8k n ASP 661 Cb 0.52 -0.41 -0.17 0.00 -0.02 0.00 0.00 41.12 41.04 1c8k n ASP 661 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1c8k s LEU 662 N -6.49 2.05 -0.26 0.64 0.20 -0.66 -0.23 118.68 113.93 1c8k s LEU 662 Ca -0.27 -0.57 -0.09 0.00 0.69 0.00 0.00 54.13 53.89 1c8k s LEU 662 Cb 0.08 -1.39 -0.04 0.00 -0.43 0.00 0.00 46.19 44.42 1c8k s LEU 662 CO 0.41 0.08 0.12 -0.55 -0.29 0.00 0.00 176.35 176.12 1c8k s SER 663 N 0.77 5.49 -0.46 3.68 0.15 0.19 -1.61 113.70 121.91 1c8k s SER 663 Ca -0.09 -0.13 -0.22 0.00 0.70 0.00 0.00 55.95 56.22 1c8k s SER 663 Cb -0.16 -2.00 0.03 0.00 -1.71 0.00 0.00 66.02 62.18 1c8k s SER 663 CO -0.00 -0.04 0.74 -1.61 1.20 0.00 0.00 173.24 173.52 1c8k s GLU 664 N 1.67 3.32 -0.57 5.44 0.41 -0.80 -1.79 118.70 126.37 1c8k s GLU 664 Ca 0.07 -0.30 0.06 0.00 -0.41 0.00 0.00 54.97 54.39 1c8k s GLU 664 Cb -0.15 -3.97 0.22 0.00 -1.78 0.00 0.00 34.13 28.44 1c8k s GLU 664 CO 0.07 -1.13 0.58 1.04 -0.49 0.00 0.00 175.26 175.32 1c8k n GLN 665 N 6.59 1.65 -1.59 1.61 1.13 -0.81 -4.78 117.38 121.19 1c8k n GLN 665 Ca -0.00 -4.12 -0.25 0.00 -1.94 0.00 0.00 57.00 50.69 1c8k n GLN 665 Cb 0.48 -1.96 0.07 0.00 0.11 0.00 0.00 30.24 28.93 1c8k n GLN 665 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 1c8k n ILE 666 N 1.52 2.96 -1.57 5.09 -5.35 -1.26 -2.30 119.36 118.44 1c8k n ILE 666 Ca 0.26 -3.50 -0.32 0.00 -0.27 0.00 0.00 62.75 58.92 1c8k n ILE 666 Cb 0.43 -1.02 0.06 0.00 -1.74 0.00 0.00 39.64 37.37 1c8k n ILE 666 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1c8k s SER 667 N -2.75 4.97 0.18 7.28 1.04 -1.26 -4.60 113.70 118.57 1c8k s SER 667 Ca 0.55 1.87 -0.31 0.00 0.48 0.00 0.00 55.95 58.55 1c8k s SER 667 Cb 0.45 -2.53 -0.10 0.00 0.10 0.00 0.00 66.02 63.94 1c8k s SER 667 CO 0.02 -1.72 1.51 -0.89 0.98 0.00 0.00 173.24 173.14 1c8k s THR 668 N -2.64 2.70 -0.02 2.02 2.01 -1.18 -4.68 115.64 113.86 1c8k s THR 668 Ca 0.63 0.53 -0.38 0.00 0.31 0.00 0.00 61.69 62.78 1c8k s THR 668 Cb -0.18 -3.34 -0.17 0.00 0.01 0.00 0.00 72.50 68.82 1c8k s THR 668 CO 0.48 0.05 1.39 0.00 -0.69 0.00 0.00 174.62 175.85 1c8k n ALA 669 N 3.48 -1.23 -0.20 7.40 0.00 -1.26 -1.57 120.51 127.13 1c8k n ALA 669 Ca 0.11 0.50 0.00 0.00 0.00 0.00 0.00 53.44 54.06 1c8k n ALA 669 Cb 0.39 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.79 1c8k n ALA 669 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1c8k n GLY 670 N 2.74 0.73 0.11 0.00 0.00 -1.26 -4.70 105.19 102.82 1c8k n GLY 670 Ca 0.21 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.09 1c8k n GLY 670 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1c8k n THR 671 N -2.00 1.42 -3.01 2.61 -2.24 -0.61 -4.82 114.28 105.63 1c8k n THR 671 Ca 0.00 -0.70 -0.43 0.00 -2.27 0.00 0.00 64.05 60.65 1c8k n THR 671 Cb 0.00 -0.96 -0.05 0.00 -2.10 0.00 0.00 70.33 67.21 1c8k n THR 671 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1c8k s GLU 672 N -2.50 3.18 0.24 -0.78 2.56 -1.26 -4.75 118.70 115.39 1c8k s GLU 672 Ca -0.23 -0.73 -0.09 0.00 0.00 0.00 0.00 54.97 53.92 1c8k s GLU 672 Cb 0.07 -4.12 0.39 0.00 2.00 0.00 0.00 34.13 32.48 1c8k s GLU 672 CO 0.70 -1.42 1.61 0.00 -0.56 0.00 0.00 175.26 175.59 1c8k h ALA 673 N 9.19 0.66 0.00 6.30 0.00 -1.88 -2.76 119.26 130.77 1c8k h ALA 673 Ca -0.27 0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1c8k h ALA 673 Cb 1.08 0.52 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1c8k h ALA 673 CO 1.05 -0.43 0.00 0.45 0.00 0.00 0.00 179.25 180.32 1c8k n SER 674 N -5.44 -1.16 0.00 0.00 2.88 -1.26 -4.19 113.62 104.44 1c8k n SER 674 Ca 0.13 0.50 0.00 0.00 -1.33 0.00 0.00 58.87 58.16 1c8k n SER 674 Cb 0.45 1.24 0.00 0.00 -0.75 0.00 0.00 64.21 65.15 1c8k n SER 674 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1c8k n GLY 675 N 0.58 -0.32 0.00 0.46 0.00 -1.26 -1.48 105.19 103.16 1c8k n GLY 675 Ca 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.43 1c8k n GLY 675 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1c8k n THR 676 N 0.07 0.00 -0.24 2.61 -2.24 -1.26 -4.76 114.28 108.45 1c8k n THR 676 Ca 0.00 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.81 1c8k n THR 676 Cb 0.00 -0.02 0.26 0.00 -2.10 0.00 0.00 70.33 68.47 1c8k n THR 676 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1c8k h GLY 677 N 0.00 1.14 0.55 3.38 0.00 -1.95 -1.12 103.07 105.07 1c8k h GLY 677 Ca 0.00 -0.39 0.09 0.00 0.00 0.00 0.00 47.33 47.03 1c8k h GLY 677 CO 0.00 0.34 0.51 3.45 0.00 0.00 0.00 176.54 180.84 1c8k h ASN 678 N 0.99 0.75 -0.12 0.19 -0.00 -1.94 -1.12 115.58 114.34 1c8k h ASN 678 Ca 0.32 0.04 -0.13 0.00 -0.00 0.00 0.00 56.30 56.54 1c8k h ASN 678 Cb 0.05 -0.11 -0.01 0.00 -0.00 0.00 0.00 38.32 38.25 1c8k h ASN 678 CO -0.10 0.43 -0.35 0.24 -0.00 0.00 0.00 177.43 177.66 1c8k h MET 679 N 0.86 0.62 -0.60 4.14 2.86 -1.54 -2.61 114.93 118.66 1c8k h MET 679 Ca 0.41 -0.29 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 1c8k h MET 679 Cb 0.35 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.98 1c8k h MET 679 CO -0.24 0.88 0.33 0.87 1.06 0.00 0.00 176.91 179.82 1c8k h LYS 680 N 0.52 0.83 -0.51 1.72 1.57 -0.46 -2.45 116.57 117.79 1c8k h LYS 680 Ca 0.05 -0.09 -0.10 0.00 -1.87 0.00 0.00 60.65 58.64 1c8k h LYS 680 Cb 0.85 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 1c8k h LYS 680 CO 0.07 0.63 -0.07 0.74 -0.57 0.00 0.00 179.45 180.25 1c8k h PHE 681 N 0.81 1.02 -0.74 -1.35 0.04 -1.30 -2.90 116.94 112.52 1c8k h PHE 681 Ca 0.21 -0.19 -0.03 0.00 2.80 0.00 0.00 57.97 60.77 1c8k h PHE 681 Cb 0.03 -0.26 -0.03 0.00 2.20 0.00 0.00 35.95 37.89 1c8k h PHE 681 CO -0.01 0.95 0.36 1.98 -0.60 0.00 0.00 178.31 180.99 1c8k h MET 682 N 0.84 1.06 0.00 1.51 4.05 -1.23 -2.42 114.93 118.75 1c8k h MET 682 Ca 0.14 -0.15 -0.03 0.00 -0.28 0.00 0.00 59.70 59.38 1c8k h MET 682 Cb 0.60 -0.19 -0.00 0.00 -0.80 0.00 0.00 31.60 31.20 1c8k h MET 682 CO 0.04 0.83 -0.15 1.25 0.23 0.00 0.00 176.91 179.10 1c8k h LEU 683 N 1.04 0.00 -3.27 3.39 5.85 -1.37 -3.23 115.31 117.71 1c8k h LEU 683 Ca 0.26 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.98 1c8k h LEU 683 Cb 0.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1c8k h LEU 683 CO -0.03 0.15 0.00 0.59 -0.34 0.00 0.00 178.44 178.81 1c8k n ASN 684 N -3.38 4.81 -0.06 1.25 3.02 -0.98 -4.92 115.26 115.00 1c8k n ASN 684 Ca -0.00 -2.65 0.00 0.00 -0.03 0.00 0.00 54.58 51.90 1c8k n ASN 684 Cb 0.35 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 1c8k n ASN 684 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1c8k n GLY 685 N 0.69 0.73 3.56 7.41 0.00 -1.17 -4.79 105.19 111.61 1c8k n GLY 685 Ca 0.25 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 1c8k n GLY 685 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c8k s ALA 686 N -2.13 2.90 0.21 4.61 0.00 -0.95 -4.75 121.76 121.66 1c8k s ALA 686 Ca 0.00 -1.23 -0.05 0.00 0.00 0.00 0.00 51.96 50.68 1c8k s ALA 686 Cb 0.00 -0.87 -0.05 0.00 0.00 0.00 0.00 23.12 22.19 1c8k s ALA 686 CO 0.00 0.63 0.46 -0.51 0.00 0.00 0.00 175.76 176.34 1c8k s LEU 687 N -2.07 4.18 -0.16 0.00 1.02 0.68 -4.45 118.68 117.88 1c8k s LEU 687 Ca 0.20 0.65 -0.04 0.00 0.02 0.00 0.00 54.13 54.95 1c8k s LEU 687 Cb -0.11 -3.41 -0.03 0.00 0.02 0.00 0.00 46.19 42.66 1c8k s LEU 687 CO 0.12 -0.07 -0.02 -0.89 0.02 0.00 0.00 176.35 175.51 1c8k s THR 688 N -1.86 3.98 -0.24 5.49 2.01 -1.26 -0.64 115.64 123.12 1c8k s THR 688 Ca 0.42 -0.32 -0.04 0.00 0.31 0.00 0.00 61.69 62.06 1c8k s THR 688 Cb -0.11 -2.75 -0.00 0.00 0.01 0.00 0.00 72.50 69.64 1c8k s THR 688 CO 0.27 0.48 -0.02 -0.51 -0.69 0.00 0.00 174.62 174.15 1c8k s ILE 689 N 0.42 3.49 0.27 1.82 2.07 -0.74 -1.38 121.20 127.13 1c8k s ILE 689 Ca -0.03 -0.56 -0.20 0.00 -1.41 0.00 0.00 60.65 58.45 1c8k s ILE 689 Cb -0.14 -2.65 0.07 0.00 0.13 0.00 0.00 42.46 39.87 1c8k s ILE 689 CO 0.03 0.33 0.92 -0.83 -1.91 0.00 0.00 174.94 173.48 1c8k s GLY 690 N 1.48 0.19 0.49 1.50 0.00 -0.49 -1.92 107.32 108.56 1c8k s GLY 690 Ca 0.05 -0.47 0.01 0.00 0.00 0.00 0.00 44.72 44.30 1c8k s GLY 690 CO -0.02 1.07 0.71 -0.51 0.00 0.00 0.00 173.10 174.35 1c8k s THR 691 N -2.36 3.45 -1.38 0.90 -4.23 -0.97 -2.34 115.64 108.72 1c8k s THR 691 Ca 0.18 -0.57 -0.14 0.00 -1.18 0.00 0.00 61.69 59.98 1c8k s THR 691 Cb -0.04 -3.28 0.08 0.00 1.34 0.00 0.00 72.50 70.60 1c8k s THR 691 CO 0.08 -0.20 2.02 0.23 -0.54 0.00 0.00 174.62 176.21 1c8k n MET 692 N -2.18 3.10 -4.19 3.99 2.81 -1.26 -4.69 117.12 114.71 1c8k n MET 692 Ca 0.04 -2.99 -0.18 0.00 -1.81 0.00 0.00 57.70 52.75 1c8k n MET 692 Cb 0.58 -3.24 -0.12 0.00 -0.71 0.00 0.00 33.22 29.74 1c8k n MET 692 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1c8k s ASP 693 N 2.90 1.75 0.47 7.83 2.15 -1.26 -4.62 116.67 125.88 1c8k s ASP 693 Ca 0.47 -0.65 0.00 0.00 0.43 0.00 0.00 52.55 52.79 1c8k s ASP 693 Cb 0.10 -0.05 0.00 0.00 -0.30 0.00 0.00 42.92 42.67 1c8k s ASP 693 CO -0.03 -0.09 0.00 0.61 -0.17 0.00 0.00 175.17 175.49 1c8k n GLY 694 N 1.15 2.27 0.15 2.66 0.00 -1.04 -1.38 105.19 108.99 1c8k n GLY 694 Ca -0.20 -0.19 0.13 0.00 0.00 0.00 0.00 46.02 45.75 1c8k n GLY 694 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c8k h ALA 695 N -0.33 1.00 -0.92 4.61 0.00 -1.46 -3.16 119.26 119.00 1c8k h ALA 695 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 54.91 55.10 1c8k h ALA 695 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.68 1c8k h ALA 695 CO 0.00 0.00 0.49 -0.91 0.00 0.00 0.00 179.25 178.83 1c8k h ASN 696 N 0.00 0.58 -0.38 0.00 4.21 -1.43 0.13 115.58 118.69 1c8k h ASN 696 Ca 0.00 0.11 0.03 0.00 1.21 0.00 0.00 56.30 57.65 1c8k h ASN 696 Cb 0.44 0.02 -0.03 0.00 -1.12 0.00 0.00 38.32 37.62 1c8k h ASN 696 CO 0.00 0.18 0.18 0.58 -1.29 0.00 0.00 177.43 177.07 1c8k h VAL 697 N 0.61 0.96 -0.02 2.81 2.07 -1.63 0.07 116.25 121.12 1c8k h VAL 697 Ca 0.54 -0.12 -0.12 0.00 0.82 0.00 0.00 66.70 67.81 1c8k h VAL 697 Cb 0.87 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1c8k h VAL 697 CO -0.42 0.07 -0.57 -0.33 0.02 0.00 0.00 177.57 176.34 1c8k h GLU 698 N 0.36 0.06 -0.22 1.57 5.08 -1.21 -1.35 114.58 118.86 1c8k h GLU 698 Ca 0.16 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.42 1c8k h GLU 698 Cb 0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1c8k h GLU 698 CO -0.12 0.61 -0.10 0.52 -1.00 0.00 0.00 179.01 178.91 1c8k h MET 699 N 0.04 0.46 -0.48 2.33 2.86 -0.16 -0.83 114.93 119.16 1c8k h MET 699 Ca -0.00 -0.20 -0.08 0.00 -2.06 0.00 0.00 59.70 57.35 1c8k h MET 699 Cb 1.02 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.64 1c8k h MET 699 CO 0.08 0.74 -0.03 0.00 1.06 0.00 0.00 176.91 178.76 1c8k h ALA 700 N 0.71 1.05 -0.42 6.32 0.00 -0.94 -0.70 119.26 125.29 1c8k h ALA 700 Ca 0.05 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1c8k h ALA 700 Cb 0.60 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1c8k h ALA 700 CO 0.03 0.59 0.03 1.49 0.00 0.00 0.00 179.25 181.39 1c8k h GLU 701 N 0.75 0.65 0.03 0.00 4.81 -1.08 0.48 114.58 120.22 1c8k h GLU 701 Ca 0.14 -0.15 -0.26 0.00 -0.13 0.00 0.00 59.36 58.96 1c8k h GLU 701 Cb 0.49 -0.09 0.02 0.00 0.63 0.00 0.00 28.75 29.81 1c8k h GLU 701 CO 0.02 0.65 -1.04 0.93 -0.73 0.00 0.00 179.01 178.84 1c8k h GLU 702 N 0.62 0.65 0.00 1.92 4.39 -0.56 -3.33 114.58 118.26 1c8k h GLU 702 Ca 0.13 -0.74 -0.03 0.00 0.34 0.00 0.00 59.36 59.06 1c8k h GLU 702 Cb 0.35 0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 1c8k h GLU 702 CO 0.01 1.32 -0.90 0.00 -1.16 0.00 0.00 179.01 178.28 1c8k h ALA 703 N 0.36 0.60 0.00 3.43 0.00 -1.06 -3.47 119.26 119.12 1c8k h ALA 703 Ca -0.14 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1c8k h ALA 703 Cb 1.71 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1c8k h ALA 703 CO 0.20 0.17 0.00 0.41 0.00 0.00 0.00 179.25 180.03 1c8k n GLY 704 N 1.20 1.84 0.34 0.00 0.00 0.17 -4.58 105.19 104.16 1c8k n GLY 704 Ca -0.01 -1.34 0.20 0.00 0.00 0.00 0.00 46.02 44.87 1c8k n GLY 704 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1c8k h GLU 705 N 0.00 0.00 0.00 1.61 5.08 -1.85 0.99 114.58 120.41 1c8k h GLU 705 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1c8k h GLU 705 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1c8k h GLU 705 CO 0.00 0.00 0.00 0.93 -1.00 0.00 0.00 179.01 178.94 1c8k h GLU 706 N 0.00 0.00 -0.49 2.33 3.07 -1.89 -2.77 114.58 114.82 1c8k h GLU 706 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1c8k h GLU 706 Cb 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 1c8k h GLU 706 CO -0.00 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.70 1c8k n ASN 707 N -2.96 4.58 -4.12 1.42 3.02 0.34 -4.93 115.26 112.61 1c8k n ASN 707 Ca 0.02 -2.68 -0.17 0.00 -0.03 0.00 0.00 54.58 51.71 1c8k n ASN 707 Cb 0.35 -0.56 -0.12 0.00 -0.61 0.00 0.00 39.78 38.83 1c8k n ASN 707 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1c8k s PHE 708 N -2.26 1.03 -0.95 3.10 5.36 -1.05 -4.79 117.98 118.42 1c8k s PHE 708 Ca 0.47 -0.42 -0.09 0.00 -0.96 0.00 0.00 56.93 55.93 1c8k s PHE 708 Cb 0.33 -0.60 0.24 0.00 -0.34 0.00 0.00 43.02 42.65 1c8k s PHE 708 CO 0.17 0.01 0.89 -0.06 -1.46 0.00 0.00 175.22 174.78 1c8k s PHE 709 N -1.11 3.98 0.09 10.12 0.08 -0.48 -4.93 117.98 125.73 1c8k s PHE 709 Ca -0.03 -2.56 -0.13 0.00 0.12 0.00 0.00 56.93 54.34 1c8k s PHE 709 Cb -0.09 -3.67 -0.06 0.00 -0.57 0.00 0.00 43.02 38.63 1c8k s PHE 709 CO 0.01 -0.91 0.46 0.42 -0.10 0.00 0.00 175.22 175.10 1c8k s ILE 710 N -0.77 4.98 0.32 0.64 1.09 -1.26 -1.40 121.20 124.80 1c8k s ILE 710 Ca 0.25 0.69 -0.13 0.00 -1.10 0.00 0.00 60.65 60.36 1c8k s ILE 710 Cb -0.10 -3.70 0.02 0.00 -1.06 0.00 0.00 42.46 37.61 1c8k s ILE 710 CO -0.09 0.33 0.62 0.72 -0.10 0.00 0.00 174.94 176.43 1c8k s PHE 711 N -1.36 0.33 0.09 3.97 -0.71 -0.99 -4.96 117.98 114.37 1c8k s PHE 711 Ca 0.33 -0.78 0.00 0.00 -1.04 0.00 0.00 56.93 55.44 1c8k s PHE 711 Cb -0.15 0.43 0.00 0.00 -1.21 0.00 0.00 43.02 42.09 1c8k s PHE 711 CO 0.18 -1.25 0.00 0.41 -1.34 0.00 0.00 175.22 173.22 1c8k n GLY 712 N -0.48 -1.59 3.74 1.99 0.00 -1.26 -4.34 105.19 103.25 1c8k n GLY 712 Ca -0.04 -1.44 -0.36 0.00 0.00 0.00 0.00 46.02 44.19 1c8k n GLY 712 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1c8k s MET 713 N -1.54 2.58 0.55 1.61 -1.94 -1.26 -4.90 119.30 114.41 1c8k s MET 713 Ca 0.00 1.85 0.07 0.00 -1.71 0.00 0.00 55.69 55.90 1c8k s MET 713 Cb 0.00 -1.88 0.07 0.00 2.01 0.00 0.00 34.83 35.03 1c8k s MET 713 CO 0.00 -1.52 0.76 1.03 -0.01 0.00 0.00 175.02 175.29 1c8k s ARG 714 N -3.56 2.37 0.23 2.03 1.81 -1.26 -4.56 118.95 116.02 1c8k s ARG 714 Ca 0.77 -1.36 -0.06 0.00 -1.72 0.00 0.00 55.73 53.37 1c8k s ARG 714 Cb -0.31 -2.61 0.38 0.00 -0.45 0.00 0.00 34.95 31.96 1c8k s ARG 714 CO 0.39 -0.78 1.74 0.28 -0.68 0.00 0.00 175.30 176.25 1c8k h VAL 715 N 0.18 0.72 -0.94 3.52 2.07 -1.84 -1.69 116.25 118.27 1c8k h VAL 715 Ca -0.35 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.02 1c8k h VAL 715 Cb 1.28 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 1c8k h VAL 715 CO 0.43 0.08 0.61 -0.33 0.02 0.00 0.00 177.57 178.38 1c8k h GLU 716 N 0.45 1.24 -0.80 1.57 4.39 -1.95 -1.79 114.58 117.68 1c8k h GLU 716 Ca 0.37 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 59.96 1c8k h GLU 716 Cb 0.51 -0.28 -0.04 0.00 -0.10 0.00 0.00 28.75 28.85 1c8k h GLU 716 CO -0.36 0.83 0.39 -0.44 -1.16 0.00 0.00 179.01 178.28 1c8k h ASP 717 N 1.27 1.05 -0.28 1.42 3.32 -1.70 0.46 116.42 121.97 1c8k h ASP 717 Ca 0.34 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 1c8k h ASP 717 Cb -0.13 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.14 1c8k h ASP 717 CO -0.07 0.88 0.15 0.58 -1.72 0.00 0.00 179.24 179.06 1c8k h VAL 718 N 1.14 1.13 -0.60 -1.35 2.07 -0.81 -0.79 116.25 117.04 1c8k h VAL 718 Ca 0.28 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 1c8k h VAL 718 Cb 0.11 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 1c8k h VAL 718 CO -0.04 0.13 0.37 0.44 0.02 0.00 0.00 177.57 178.49 1c8k h ASP 719 N 0.33 0.71 -0.27 0.57 3.32 -0.95 -1.64 116.42 118.49 1c8k h ASP 719 Ca 0.10 -0.05 0.04 0.00 0.02 0.00 0.00 57.03 57.14 1c8k h ASP 719 Cb 0.07 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 1c8k h ASP 719 CO -0.02 0.55 0.02 -0.09 -1.72 0.00 0.00 179.24 177.99 1c8k h ARG 720 N 0.81 0.10 -0.61 3.56 2.43 -0.57 -1.39 114.38 118.72 1c8k h ARG 720 Ca 0.22 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.43 1c8k h ARG 720 Cb -0.03 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.46 1c8k h ARG 720 CO -0.04 0.07 0.40 1.25 -1.51 0.00 0.00 179.97 180.14 1c8k h LEU 721 N 0.11 0.57 -0.44 3.80 6.46 -0.69 -1.90 115.31 123.21 1c8k h LEU 721 Ca 0.13 -0.00 -0.17 0.00 -0.12 0.00 0.00 57.88 57.71 1c8k h LEU 721 Cb 0.16 -0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 39.96 1c8k h LEU 721 CO -0.20 0.38 -0.59 0.44 -0.62 0.00 0.00 178.44 177.85 1c8k h ASP 722 N 0.65 0.68 -0.10 1.25 3.32 -0.34 0.72 116.42 122.60 1c8k h ASP 722 Ca 0.25 -0.38 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 1c8k h ASP 722 Cb 0.19 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 1c8k h ASP 722 CO -0.07 1.12 0.05 1.56 -1.72 0.00 0.00 179.24 180.17 1c8k h GLN 723 N 0.46 0.14 -0.02 3.56 1.08 -0.65 -2.94 115.11 116.73 1c8k h GLN 723 Ca -0.00 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1c8k h GLN 723 Cb 1.15 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 28.56 1c8k h GLN 723 CO 0.11 0.20 0.01 -0.09 -0.95 0.00 0.00 178.83 178.12 1c8k h ARG 724 N 0.04 0.03 0.00 1.46 2.43 -1.26 -3.49 114.38 113.59 1c8k h ARG 724 Ca 0.03 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1c8k h ARG 724 Cb 0.11 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1c8k h ARG 724 CO -0.00 0.08 0.00 0.41 -1.51 0.00 0.00 179.97 178.95 1c8k n GLY 725 N -0.93 2.85 3.67 2.80 0.00 0.25 -5.05 105.19 108.77 1c8k n GLY 725 Ca -0.07 -1.11 -0.43 0.00 0.00 0.00 0.00 46.02 44.41 1c8k n GLY 725 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1c8k s TYR 726 N 0.00 3.34 -0.32 1.61 5.04 -1.20 -4.88 117.35 120.93 1c8k s TYR 726 Ca 0.00 1.46 0.02 0.00 -2.44 0.00 0.00 57.07 56.11 1c8k s TYR 726 Cb 0.00 -3.27 0.10 0.00 0.35 0.00 0.00 41.96 39.13 1c8k s TYR 726 CO 0.00 -0.53 0.05 1.21 -1.34 0.00 0.00 175.55 174.95 1c8k s ASN 727 N 1.24 4.47 0.49 4.32 3.84 -1.26 -4.99 114.94 123.04 1c8k s ASN 727 Ca 0.46 -1.91 0.15 0.00 0.21 0.00 0.00 52.86 51.77 1c8k s ASN 727 Cb -0.16 -1.36 1.17 0.00 -0.55 0.00 0.00 41.25 40.36 1c8k s ASN 727 CO 0.09 -0.38 2.11 0.00 -2.79 0.00 0.00 177.10 176.13 1c8k h ALA 728 N 7.79 1.91 -0.97 1.71 0.00 -1.87 -2.62 119.26 125.22 1c8k h ALA 728 Ca -0.08 -0.03 0.14 0.00 0.00 0.00 0.00 54.91 54.94 1c8k h ALA 728 Cb 1.02 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.70 1c8k h ALA 728 CO 0.50 0.07 0.61 0.37 0.00 0.00 0.00 179.25 180.80 1c8k h GLN 729 N 0.06 0.81 -0.16 0.00 5.75 -1.92 -1.45 115.11 118.20 1c8k h GLN 729 Ca 0.02 -0.05 0.05 0.00 -0.15 0.00 0.00 58.65 58.52 1c8k h GLN 729 Cb 0.05 -0.18 -0.06 0.00 1.07 0.00 0.00 27.48 28.36 1c8k h GLN 729 CO 0.00 0.54 -0.19 1.49 -2.65 0.00 0.00 178.83 178.02 1c8k h GLU 730 N 0.84 -0.21 -0.50 1.69 4.81 -1.89 0.30 114.58 119.61 1c8k h GLU 730 Ca 0.50 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.69 1c8k h GLU 730 Cb 0.67 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.07 1c8k h GLU 730 CO -0.27 -0.14 0.10 1.88 -0.73 0.00 0.00 179.01 179.85 1c8k h TYR 731 N -0.22 0.80 -0.73 0.92 0.05 -1.46 -1.60 116.97 114.73 1c8k h TYR 731 Ca 0.11 -0.08 -0.04 0.00 0.05 0.00 0.00 58.73 58.77 1c8k h TYR 731 Cb 0.39 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 37.86 1c8k h TYR 731 CO -0.32 0.69 0.30 -0.92 -1.05 0.00 0.00 178.16 176.87 1c8k h TYR 732 N 0.75 1.11 -0.40 4.88 5.03 -0.32 -2.19 116.97 125.83 1c8k h TYR 732 Ca 0.16 -0.08 -0.14 0.00 2.58 0.00 0.00 58.73 61.25 1c8k h TYR 732 Cb 0.31 -0.33 -0.01 0.00 1.55 0.00 0.00 36.73 38.25 1c8k h TYR 732 CO 0.02 0.85 -0.30 -0.44 -1.32 0.00 0.00 178.16 176.96 1c8k h ASP 733 N 1.05 0.92 0.34 -2.11 3.32 0.14 -3.32 116.42 116.76 1c8k h ASP 733 Ca 0.25 -0.38 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1c8k h ASP 733 Cb 0.20 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1c8k h ASP 733 CO -0.02 1.15 -0.44 0.54 -1.72 0.00 0.00 179.24 178.74 1c8k n ARG 734 N -4.08 0.37 -3.97 3.56 5.12 -0.65 -4.76 116.66 112.25 1c8k n ARG 734 Ca -0.01 -0.23 -0.31 0.00 -1.93 0.00 0.00 57.85 55.37 1c8k n ARG 734 Cb 0.49 -1.50 -0.15 0.00 -1.16 0.00 0.00 32.46 30.15 1c8k n ARG 734 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1c8k s ILE 735 N -2.79 1.92 0.20 0.55 1.01 -0.84 -4.99 121.20 116.27 1c8k s ILE 735 Ca 0.16 -1.95 -0.11 0.00 0.00 0.00 0.00 60.65 58.75 1c8k s ILE 735 Cb 0.18 -2.35 0.12 0.00 0.01 0.00 0.00 42.46 40.42 1c8k s ILE 735 CO 0.64 -0.48 1.77 -0.65 0.00 0.00 0.00 174.94 176.22 1c8k h PRO 736 N 7.76 0.50 -0.90 2.79 0.11 -1.86 -0.05 132.00 140.35 1c8k h PRO 736 Ca -0.09 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 66.03 1c8k h PRO 736 Cb 1.03 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 31.97 1c8k h PRO 736 CO 0.49 0.33 0.58 0.93 -0.21 0.00 0.00 178.00 180.12 1c8k h GLU 737 N 0.51 1.08 -0.32 1.05 5.08 -1.96 0.13 114.58 120.15 1c8k h GLU 737 Ca 0.28 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.48 1c8k h GLU 737 Cb 0.25 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1c8k h GLU 737 CO -0.22 0.71 -0.15 1.25 -1.00 0.00 0.00 179.01 179.60 1c8k h LEU 738 N 1.11 0.69 -0.59 1.33 5.85 -1.75 -2.77 115.31 119.18 1c8k h LEU 738 Ca 0.36 -0.40 0.03 0.00 0.84 0.00 0.00 57.88 58.71 1c8k h LEU 738 Cb 0.03 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 1c8k h LEU 738 CO -0.13 0.94 0.35 -0.09 -0.34 0.00 0.00 178.44 179.18 1c8k h ARG 739 N 0.44 0.67 -0.88 1.25 2.43 -0.29 -2.02 114.38 115.98 1c8k h ARG 739 Ca 0.07 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.23 1c8k h ARG 739 Cb 0.68 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 30.03 1c8k h ARG 739 CO 0.05 0.44 0.58 0.37 -1.51 0.00 0.00 179.97 179.90 1c8k h GLN 740 N 0.69 1.09 -0.14 0.20 4.15 -0.68 -1.62 115.11 118.80 1c8k h GLN 740 Ca 0.24 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.56 1c8k h GLN 740 Cb 0.05 -0.25 -0.00 0.00 0.21 0.00 0.00 27.48 27.49 1c8k h GLN 740 CO -0.12 0.72 -0.05 0.82 -1.93 0.00 0.00 178.83 178.28 1c8k h ILE 741 N 1.13 1.30 -0.23 2.39 2.04 -1.13 -1.88 117.51 121.13 1c8k h ILE 741 Ca 0.34 -1.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 1c8k h ILE 741 Cb -0.03 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1c8k h ILE 741 CO -0.09 0.30 0.04 0.40 0.00 0.00 0.00 178.15 178.79 1c8k h ILE 742 N -0.03 1.12 0.00 -0.67 5.03 -1.08 -1.63 117.51 120.25 1c8k h ILE 742 Ca 0.03 -0.44 -0.11 0.00 -0.12 0.00 0.00 64.86 64.22 1c8k h ILE 742 Cb 0.48 0.91 -0.02 0.00 -3.03 0.00 0.00 36.82 35.17 1c8k h ILE 742 CO 0.02 0.15 -0.54 -0.33 -0.68 0.00 0.00 178.15 176.78 1c8k h GLU 743 N 0.32 0.00 -0.32 2.37 5.08 -1.19 -1.53 114.58 119.31 1c8k h GLU 743 Ca 0.08 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.33 1c8k h GLU 743 Cb 0.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1c8k h GLU 743 CO -0.00 0.54 -0.23 1.96 -1.00 0.00 0.00 179.01 180.28 1c8k h GLN 744 N 0.00 0.71 -0.22 2.33 4.20 -0.47 -1.55 115.11 120.12 1c8k h GLN 744 Ca -0.01 -0.35 -0.03 0.00 0.06 0.00 0.00 58.65 58.33 1c8k h GLN 744 Cb 1.30 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.07 1c8k h GLN 744 CO 0.07 0.96 0.02 -0.07 -0.67 0.00 0.00 178.83 179.13 1c8k h LEU 745 N 0.47 0.36 -1.35 1.46 3.38 -1.32 -1.05 115.31 117.26 1c8k h LEU 745 Ca 0.06 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 1c8k h LEU 745 Cb 0.78 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1c8k h LEU 745 CO 0.06 0.56 0.19 0.28 0.09 0.00 0.00 178.44 179.62 1c8k h SER 746 N 0.16 0.58 0.28 -0.43 0.02 -1.25 -3.05 113.55 109.86 1c8k h SER 746 Ca 0.06 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1c8k h SER 746 Cb 0.36 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1c8k h SER 746 CO 0.01 0.51 -0.23 -1.54 -1.14 0.00 0.00 176.83 174.44 1c8k n SER 747 N -4.37 0.86 0.00 3.07 3.41 -0.59 -4.74 113.62 111.26 1c8k n SER 747 Ca 0.03 -0.77 0.00 0.00 -0.26 0.00 0.00 58.87 57.87 1c8k n SER 747 Cb 0.14 0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 1c8k n SER 747 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1c8k n GLY 748 N 1.33 0.77 0.34 5.00 0.00 -1.11 -4.86 105.19 106.66 1c8k n GLY 748 Ca 0.12 -0.23 0.07 0.00 0.00 0.00 0.00 46.02 45.97 1c8k n GLY 748 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1c8k h PHE 749 N 0.00 0.65 -0.09 1.61 3.57 -1.44 -1.77 116.94 119.47 1c8k h PHE 749 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1c8k h PHE 749 Cb 0.00 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.52 1c8k h PHE 749 CO 0.00 0.36 0.00 1.19 -2.23 0.00 0.00 178.31 177.63 1c8k n PHE 750 N -4.47 0.09 -3.02 0.41 3.72 -1.26 -4.59 117.46 108.34 1c8k n PHE 750 Ca 0.09 -0.04 -0.17 0.00 -0.05 0.00 0.00 57.45 57.27 1c8k n PHE 750 Cb 0.20 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.72 1c8k n PHE 750 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1c8k n SER 751 N 1.38 -1.32 -0.01 4.37 3.41 -0.72 -4.81 113.62 115.92 1c8k n SER 751 Ca 0.15 -2.90 -0.10 0.00 -0.26 0.00 0.00 58.87 55.76 1c8k n SER 751 Cb 0.60 0.47 -0.03 0.00 -0.26 0.00 0.00 64.21 64.99 1c8k n SER 751 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1c8k h PRO 752 N 4.25 -0.32 -0.03 4.33 0.11 -1.67 -1.60 132.00 137.06 1c8k h PRO 752 Ca 0.01 0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.08 1c8k h PRO 752 Cb 0.96 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1c8k h PRO 752 CO 0.37 -0.22 -0.28 0.87 -0.21 0.00 0.00 178.00 178.54 1c8k h LYS 753 N -0.34 0.06 -2.53 1.05 1.57 -1.96 -3.31 116.57 111.11 1c8k h LYS 753 Ca 0.11 -0.02 -0.60 0.00 -1.87 0.00 0.00 60.65 58.28 1c8k h LYS 753 Cb 0.51 -0.01 -0.40 0.00 0.08 0.00 0.00 32.23 32.41 1c8k h LYS 753 CO -0.36 0.33 -0.78 1.04 -0.57 0.00 0.00 179.45 179.12 1c8k n GLN 754 N -4.19 1.33 -0.30 3.15 6.02 -1.00 -4.99 117.38 117.41 1c8k n GLN 754 Ca -0.02 -3.96 0.33 0.00 -0.01 0.00 0.00 57.00 53.34 1c8k n GLN 754 Cb 0.34 -1.94 0.72 0.00 1.02 0.00 0.00 30.24 30.38 1c8k n GLN 754 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1c8k h PRO 755 N 4.99 0.04 -0.65 -1.09 0.11 -1.40 -0.60 132.00 133.40 1c8k h PRO 755 Ca 0.18 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1c8k h PRO 755 Cb 0.80 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.90 1c8k h PRO 755 CO 0.60 0.03 0.00 -0.40 -0.21 0.00 0.00 178.00 178.02 1c8k n ASP 756 N -4.24 4.27 -0.34 -2.05 5.75 -1.26 -3.10 116.55 115.57 1c8k n ASP 756 Ca 0.24 -2.24 0.16 0.00 -0.01 0.00 0.00 54.79 52.94 1c8k n ASP 756 Cb 1.16 -0.51 0.36 0.00 -1.03 0.00 0.00 41.12 41.10 1c8k n ASP 756 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1c8k h LEU 757 N 3.95 0.67 -3.78 -2.12 5.85 -1.42 -2.02 115.31 116.43 1c8k h LEU 757 Ca 0.00 0.13 -0.31 0.00 0.84 0.00 0.00 57.88 58.54 1c8k h LEU 757 Cb 1.20 0.02 -0.18 0.00 0.37 0.00 0.00 40.66 42.07 1c8k h LEU 757 CO 0.12 0.14 0.36 0.49 -0.34 0.00 0.00 178.44 179.20 1c8k n PHE 758 N -4.87 2.50 0.03 1.25 3.72 -1.26 -4.57 117.46 114.26 1c8k n PHE 758 Ca 0.25 -1.44 0.01 0.00 -0.05 0.00 0.00 57.45 56.22 1c8k n PHE 758 Cb 0.69 -0.75 0.32 0.00 -0.94 0.00 0.00 39.48 38.81 1c8k n PHE 758 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1c8k h LYS 759 N 1.97 0.46 -0.59 -1.08 2.10 -1.69 -2.24 116.57 115.50 1c8k h LYS 759 Ca 0.38 -0.10 -0.09 0.00 -2.00 0.00 0.00 60.65 58.84 1c8k h LYS 759 Cb 2.43 -0.07 -0.02 0.00 -0.90 0.00 0.00 32.23 33.67 1c8k h LYS 759 CO 0.82 0.51 0.02 -0.44 -2.00 0.00 0.00 179.45 178.35 1c8k h ASP 760 N 0.44 1.00 -0.19 7.07 3.32 -1.83 0.99 116.42 127.22 1c8k h ASP 760 Ca 0.10 -0.30 -0.03 0.00 0.02 0.00 0.00 57.03 56.82 1c8k h ASP 760 Cb 0.33 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1c8k h ASP 760 CO 0.01 1.05 0.00 0.40 -1.72 0.00 0.00 179.24 178.99 1c8k h ILE 761 N 0.92 1.25 -0.28 0.35 2.04 -1.83 -1.37 117.51 118.60 1c8k h ILE 761 Ca 0.17 -0.86 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 1c8k h ILE 761 Cb 0.53 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 1c8k h ILE 761 CO 0.03 0.26 0.11 0.58 0.00 0.00 0.00 178.15 179.12 1c8k h VAL 762 N 0.10 1.18 -0.56 1.67 2.07 -1.33 -0.65 116.25 118.73 1c8k h VAL 762 Ca 0.06 -0.56 0.05 0.00 0.82 0.00 0.00 66.70 67.06 1c8k h VAL 762 Cb 0.39 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 1c8k h VAL 762 CO 0.01 0.19 0.30 -1.13 0.02 0.00 0.00 177.57 176.96 1c8k h ASN 763 N 0.30 0.44 0.05 0.57 -0.00 -0.78 -1.59 115.58 114.57 1c8k h ASN 763 Ca 0.09 0.03 -0.00 0.00 -0.00 0.00 0.00 56.30 56.42 1c8k h ASN 763 Cb 0.20 -0.06 0.00 0.00 -0.00 0.00 0.00 38.32 38.45 1c8k h ASN 763 CO -0.01 0.30 -0.02 -0.03 -0.00 0.00 0.00 177.43 177.67 1c8k h MET 764 N 0.57 -0.06 -0.89 6.67 4.05 -1.02 -0.04 114.93 124.21 1c8k h MET 764 Ca 0.24 0.00 0.12 0.00 -0.28 0.00 0.00 59.70 59.79 1c8k h MET 764 Cb 0.13 0.01 -0.08 0.00 -0.80 0.00 0.00 31.60 30.86 1c8k h MET 764 CO -0.16 0.12 0.52 -0.07 0.23 0.00 0.00 176.91 177.55 1c8k h LEU 765 N -0.23 0.73 0.06 3.39 4.07 -0.84 0.19 115.31 122.68 1c8k h LEU 765 Ca -0.01 0.06 -0.24 0.00 0.08 0.00 0.00 57.88 57.77 1c8k h LEU 765 Cb 0.21 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 41.85 1c8k h LEU 765 CO 0.01 0.38 -1.16 0.24 -1.08 0.00 0.00 178.44 176.83 1c8k h MET 766 N 0.82 0.12 0.00 1.13 2.86 -1.19 -3.40 114.93 115.27 1c8k h MET 766 Ca 0.45 -0.20 -0.02 0.00 -2.06 0.00 0.00 59.70 57.86 1c8k h MET 766 Cb 0.48 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.21 1c8k h MET 766 CO -0.28 1.07 -1.09 0.72 1.06 0.00 0.00 176.91 178.38 1c8k n HIS 767 N -3.41 0.00 -2.65 -0.22 8.25 -0.04 -4.39 115.22 112.76 1c8k n HIS 767 Ca -0.05 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.27 1c8k n HIS 767 Cb 0.98 -0.07 0.02 0.00 1.12 0.00 0.00 29.99 32.05 1c8k n HIS 767 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1c8k n HIS 768 N -2.02 1.62 -2.89 4.41 8.25 0.00 -5.03 115.22 119.57 1c8k n HIS 768 Ca -0.02 -2.93 -0.43 0.00 -0.26 0.00 0.00 57.72 54.08 1c8k n HIS 768 Cb 0.51 -0.32 -0.03 0.00 1.12 0.00 0.00 29.99 31.26 1c8k n HIS 768 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1c8k s ASP 769 N -3.18 6.36 0.59 0.41 -1.08 -0.87 -4.84 116.67 114.05 1c8k s ASP 769 Ca 0.32 -1.43 0.37 0.00 -0.52 0.00 0.00 52.55 51.29 1c8k s ASP 769 Cb 0.44 -2.41 1.71 0.00 -1.46 0.00 0.00 42.92 41.20 1c8k s ASP 769 CO -0.02 -1.28 2.11 0.03 0.52 0.00 0.00 175.17 176.53 1c8k h ARG 770 N 9.28 0.00 -0.36 4.34 3.08 -1.96 -3.04 114.38 125.72 1c8k h ARG 770 Ca -0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1c8k h ARG 770 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.10 1c8k h ARG 770 CO 1.16 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 181.25 1c8k n PHE 771 N -3.09 1.01 -3.69 3.04 3.72 -1.26 -5.02 117.46 112.17 1c8k n PHE 771 Ca -0.01 -0.74 -0.25 0.00 -0.05 0.00 0.00 57.45 56.41 1c8k n PHE 771 Cb 0.23 -0.26 0.01 0.00 -0.94 0.00 0.00 39.48 38.52 1c8k n PHE 771 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 1c8k n LYS 772 N 0.05 -0.73 -0.09 -1.08 2.85 -1.15 -4.78 118.16 113.23 1c8k n LYS 772 Ca 0.20 0.15 -0.09 0.00 -1.05 0.00 0.00 58.31 57.52 1c8k n LYS 772 Cb 0.81 -1.36 -0.02 0.00 -0.65 0.00 0.00 35.03 33.81 1c8k n LYS 772 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1c8k h VAL 773 N -0.31 1.12 -0.84 0.58 2.07 -1.93 -2.88 116.25 114.07 1c8k h VAL 773 Ca -0.45 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 66.76 1c8k h VAL 773 Cb 0.93 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 1c8k h VAL 773 CO 0.30 0.12 0.56 -0.26 0.02 0.00 0.00 177.57 178.31 1c8k h PHE 774 N 0.36 1.05 -0.10 1.57 0.04 -1.91 -2.73 116.94 115.22 1c8k h PHE 774 Ca 0.10 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.93 1c8k h PHE 774 Cb 0.05 -0.35 -0.00 0.00 2.20 0.00 0.00 35.95 37.85 1c8k h PHE 774 CO -0.03 0.65 0.12 0.00 -0.60 0.00 0.00 178.31 178.45 1c8k h ALA 775 N 1.48 1.67 -0.02 2.45 0.00 -1.88 -2.30 119.26 120.67 1c8k h ALA 775 Ca 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1c8k h ALA 775 Cb -0.10 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1c8k h ALA 775 CO -0.07 -0.18 -0.04 -0.25 0.00 0.00 0.00 179.25 178.71 1c8k n ASP 776 N -3.79 2.05 0.26 0.00 8.00 -1.04 -4.74 116.55 117.28 1c8k n ASP 776 Ca -0.00 -1.52 -0.16 0.00 0.71 0.00 0.00 54.79 53.81 1c8k n ASP 776 Cb 0.23 0.06 -0.08 0.00 -0.02 0.00 0.00 41.12 41.31 1c8k n ASP 776 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1c8k h TYR 777 N 2.54 -1.03 -0.10 1.24 3.20 -1.25 -0.75 116.97 120.82 1c8k h TYR 777 Ca 0.00 0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.91 1c8k h TYR 777 Cb 0.56 0.40 -0.05 0.00 1.54 0.00 0.00 36.73 39.17 1c8k h TYR 777 CO 0.00 -0.54 -0.20 0.93 -1.64 0.00 0.00 178.16 176.71 1c8k h GLU 778 N -0.81 -0.27 0.00 1.82 5.08 -1.85 -0.77 114.58 117.77 1c8k h GLU 778 Ca -0.04 0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 1c8k h GLU 778 Cb 0.72 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 1c8k h GLU 778 CO -0.04 -0.18 -0.21 0.93 -1.00 0.00 0.00 179.01 178.51 1c8k h GLU 779 N -0.28 0.00 0.08 2.33 5.08 -1.88 -1.94 114.58 117.98 1c8k h GLU 779 Ca 0.09 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1c8k h GLU 779 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1c8k h GLU 779 CO -0.26 0.21 -0.04 -0.92 -1.00 0.00 0.00 179.01 177.01 1c8k h TYR 780 N 0.00 -0.10 -0.14 4.33 3.20 -0.10 -1.59 116.97 122.56 1c8k h TYR 780 Ca -0.00 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.79 1c8k h TYR 780 Cb 0.39 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 1c8k h TYR 780 CO 0.00 0.34 -0.25 -0.39 -1.64 0.00 0.00 178.16 176.22 1c8k h VAL 781 N -0.57 1.24 -0.26 1.81 -1.51 -1.09 -0.96 116.25 114.91 1c8k h VAL 781 Ca -0.01 -1.13 -0.01 0.00 -1.23 0.00 0.00 66.70 64.32 1c8k h VAL 781 Cb 0.48 1.42 -0.01 0.00 -2.13 0.00 0.00 31.29 31.05 1c8k h VAL 781 CO 0.02 0.35 0.13 0.11 -1.23 0.00 0.00 177.57 176.94 1c8k h LYS 782 N 0.23 0.37 -0.72 5.19 6.56 -1.34 -2.18 116.57 124.69 1c8k h LYS 782 Ca 0.04 -0.05 -0.03 0.00 -1.06 0.00 0.00 60.65 59.54 1c8k h LYS 782 Cb 0.58 -0.07 -0.03 0.00 -0.57 0.00 0.00 32.23 32.14 1c8k h LYS 782 CO 0.04 0.36 0.33 0.00 -2.06 0.00 0.00 179.45 178.12 1c8k h GLN 784 N 1.03 0.16 -0.36 0.00 1.08 -0.88 -1.14 115.11 114.99 1c8k h GLN 784 Ca 0.25 -0.03 -0.10 0.00 -1.45 0.00 0.00 58.65 57.32 1c8k h GLN 784 Cb 0.13 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.52 1c8k h GLN 784 CO -0.03 0.25 -0.19 0.93 -0.95 0.00 0.00 178.83 178.84 1c8k h GLU 785 N 0.15 0.68 -0.30 1.46 5.08 -0.73 -1.97 114.58 118.95 1c8k h GLU 785 Ca 0.03 -0.25 -0.09 0.00 -1.00 0.00 0.00 59.36 58.06 1c8k h GLU 785 Cb 0.25 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1c8k h GLU 785 CO 0.01 0.83 -0.18 0.00 -1.00 0.00 0.00 179.01 178.67 1c8k h ARG 786 N 0.61 0.55 0.24 2.33 3.08 -1.03 -1.86 114.38 118.30 1c8k h ARG 786 Ca 0.09 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 1c8k h ARG 786 Cb 0.66 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1c8k h ARG 786 CO 0.05 0.71 -0.12 0.28 -1.07 0.00 0.00 179.97 179.82 1c8k h VAL 787 N 0.50 0.82 -0.87 2.04 2.07 -1.14 -2.22 116.25 117.44 1c8k h VAL 787 Ca 0.08 -0.48 0.16 0.00 0.82 0.00 0.00 66.70 67.29 1c8k h VAL 787 Cb 0.60 1.09 -0.07 0.00 -1.52 0.00 0.00 31.29 31.39 1c8k h VAL 787 CO 0.04 0.10 0.57 0.28 0.02 0.00 0.00 177.57 178.58 1c8k h SER 788 N -0.58 0.55 -0.14 0.57 0.02 -1.23 -0.66 113.55 112.09 1c8k h SER 788 Ca -0.03 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1c8k h SER 788 Cb 0.42 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1c8k h SER 788 CO 0.06 0.26 0.06 0.00 -1.14 0.00 0.00 176.83 176.06 1c8k h ALA 789 N 1.61 0.18 -0.20 3.77 0.00 -1.04 -2.62 119.26 120.95 1c8k h ALA 789 Ca 0.45 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.21 1c8k h ALA 789 Cb 0.87 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1c8k h ALA 789 CO -0.19 -0.25 -0.14 1.25 0.00 0.00 0.00 179.25 179.92 1c8k h LEU 790 N 0.07 0.31 -1.49 0.00 6.46 -0.97 -2.65 115.31 117.06 1c8k h LEU 790 Ca 0.05 -0.07 -0.06 0.00 -0.12 0.00 0.00 57.88 57.68 1c8k h LEU 790 Cb 0.15 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 39.99 1c8k h LEU 790 CO -0.00 0.48 -0.26 0.22 -0.62 0.00 0.00 178.44 178.25 1c8k h TYR 791 N 0.31 0.00 0.00 1.25 3.20 -0.81 -1.48 116.97 119.44 1c8k h TYR 791 Ca 0.06 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1c8k h TYR 791 Cb 0.43 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.70 1c8k h TYR 791 CO 0.01 0.26 0.00 1.63 -1.64 0.00 0.00 178.16 178.42 1c8k n LYS 792 N -4.03 0.04 -3.73 1.82 5.02 -1.00 -3.62 118.16 112.67 1c8k n LYS 792 Ca -0.02 0.27 -0.28 0.00 -2.02 0.00 0.00 58.31 56.27 1c8k n LYS 792 Cb 0.33 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.73 1c8k n LYS 792 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1c8k n ASN 793 N -1.45 3.14 -0.33 4.39 2.85 -0.56 -4.99 115.26 118.32 1c8k n ASN 793 Ca 0.03 -3.26 0.00 0.00 -0.11 0.00 0.00 54.58 51.25 1c8k n ASN 793 Cb 0.13 -0.72 0.05 0.00 1.24 0.00 0.00 39.78 40.47 1c8k n ASN 793 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1c8k n PRO 794 N 1.62 -0.18 -0.29 1.20 -0.02 -1.24 -1.24 135.00 134.85 1c8k n PRO 794 Ca 0.23 1.33 -0.02 0.00 -2.02 0.00 0.00 63.50 63.03 1c8k n PRO 794 Cb 0.37 -1.98 0.10 0.00 -0.02 0.00 0.00 33.50 31.98 1c8k n PRO 794 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1c8k h ARG 795 N 0.00 0.94 0.05 -0.52 2.43 -1.93 -0.76 114.38 114.58 1c8k h ARG 795 Ca 0.32 -0.06 -0.23 0.00 -0.81 0.00 0.00 59.98 59.20 1c8k h ARG 795 Cb 0.54 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 1c8k h ARG 795 CO -0.86 0.62 -1.05 0.93 -1.51 0.00 0.00 179.97 178.10 1c8k h GLU 796 N 0.96 0.20 -0.11 0.20 4.39 -1.53 -2.09 114.58 116.59 1c8k h GLU 796 Ca 0.33 -0.28 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 1c8k h GLU 796 Cb 0.05 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1c8k h GLU 796 CO -0.13 1.08 0.06 2.35 -1.16 0.00 0.00 179.01 181.21 1c8k h TRP 797 N 0.08 0.15 -0.49 4.33 2.91 -0.87 -1.70 115.95 120.36 1c8k h TRP 797 Ca -0.07 -0.00 -0.04 0.00 1.13 0.00 0.00 58.89 59.91 1c8k h TRP 797 Cb 1.75 -0.05 -0.02 0.00 -0.51 0.00 0.00 29.16 30.33 1c8k h TRP 797 CO 0.04 0.17 0.15 1.15 -1.03 0.00 0.00 178.44 178.92 1c8k h THR 798 N 0.09 1.20 -0.29 2.65 2.02 -1.15 -1.43 112.91 115.99 1c8k h THR 798 Ca 0.04 -0.67 -0.10 0.00 0.77 0.00 0.00 66.41 66.45 1c8k h THR 798 Cb 0.07 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1c8k h THR 798 CO -0.01 0.25 -0.23 0.03 0.37 0.00 0.00 175.52 175.93 1c8k h ARG 799 N 0.70 0.54 -0.14 6.66 3.08 -1.08 -0.58 114.38 123.57 1c8k h ARG 799 Ca 0.16 -0.20 -0.13 0.00 0.07 0.00 0.00 59.98 59.88 1c8k h ARG 799 Cb 0.21 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1c8k h ARG 799 CO -0.01 0.74 -0.49 1.98 -1.07 0.00 0.00 179.97 181.12 1c8k h MET 800 N 0.48 0.36 -0.24 0.04 4.05 -0.69 -2.52 114.93 116.41 1c8k h MET 800 Ca 0.07 -0.20 -0.01 0.00 -0.28 0.00 0.00 59.70 59.28 1c8k h MET 800 Cb 0.67 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.47 1c8k h MET 800 CO 0.05 0.77 0.12 0.28 0.23 0.00 0.00 176.91 178.37 1c8k h VAL 801 N 0.28 1.13 -0.51 -5.77 2.07 -0.67 -2.13 116.25 110.65 1c8k h VAL 801 Ca 0.01 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 67.22 1c8k h VAL 801 Cb 0.97 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 1c8k h VAL 801 CO 0.08 0.12 0.34 0.40 0.02 0.00 0.00 177.57 178.54 1c8k h ILE 802 N 0.27 1.07 -0.15 4.57 2.04 -0.93 -0.23 117.51 124.15 1c8k h ILE 802 Ca 0.08 -0.20 -0.09 0.00 1.00 0.00 0.00 64.86 65.64 1c8k h ILE 802 Cb 0.09 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1c8k h ILE 802 CO -0.01 0.11 -0.33 0.03 0.00 0.00 0.00 178.15 177.95 1c8k h ARG 803 N 0.60 0.29 0.08 2.37 3.08 -0.98 -0.76 114.38 119.05 1c8k h ARG 803 Ca 0.20 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 1c8k h ARG 803 Cb 0.08 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1c8k h ARG 803 CO -0.05 0.59 -0.04 -0.91 -1.07 0.00 0.00 179.97 178.49 1c8k h ASN 804 N 0.25 -0.09 -0.25 7.04 2.35 -0.55 -2.99 115.58 121.34 1c8k h ASN 804 Ca 0.03 -0.52 0.05 0.00 -0.55 0.00 0.00 56.30 55.31 1c8k h ASN 804 Cb 0.71 0.02 -0.04 0.00 0.05 0.00 0.00 38.32 39.06 1c8k h ASN 804 CO 0.05 0.55 -0.04 0.40 -1.65 0.00 0.00 177.43 176.75 1c8k h ILE 805 N -0.81 0.78 0.00 2.81 2.04 -1.09 -1.35 117.51 119.90 1c8k h ILE 805 Ca -0.01 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 1c8k h ILE 805 Cb 0.60 0.75 -0.00 0.00 -0.74 0.00 0.00 36.82 37.43 1c8k h ILE 805 CO 0.02 0.01 -0.01 0.00 0.00 0.00 0.00 178.15 178.17 1c8k h ALA 806 N 1.24 1.06 -0.32 1.87 0.00 -1.24 -2.67 119.26 119.19 1c8k h ALA 806 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1c8k h ALA 806 Cb 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1c8k h ALA 806 CO -0.23 0.01 0.00 -2.37 0.00 0.00 0.00 179.25 176.65 1c8k n THR 807 N -3.17 1.51 1.19 0.00 5.66 -0.55 -2.16 114.28 116.75 1c8k n THR 807 Ca -0.02 -1.34 0.13 0.00 -3.05 0.00 0.00 64.05 59.77 1c8k n THR 807 Cb 0.11 0.20 0.40 0.00 -1.55 0.00 0.00 70.33 69.50 1c8k n THR 807 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1c8k n SER 808 N 0.12 0.67 -0.33 1.09 3.41 -0.92 -4.42 113.62 113.25 1c8k n SER 808 Ca 0.15 -0.53 0.27 0.00 -0.26 0.00 0.00 58.87 58.51 1c8k n SER 808 Cb 0.61 0.08 0.52 0.00 -0.26 0.00 0.00 64.21 65.16 1c8k n SER 808 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1c8k h GLY 809 N 4.96 2.14 2.00 5.00 0.00 -1.79 0.58 103.07 115.95 1c8k h GLY 809 Ca 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 1c8k h GLY 809 CO 0.00 -0.62 -0.00 1.70 0.00 0.00 0.00 176.54 177.62 1c8k h LYS 810 N 0.19 0.00 -0.68 4.80 3.64 -1.87 -2.90 116.57 119.75 1c8k h LYS 810 Ca 0.78 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.16 1c8k h LYS 810 Cb 1.90 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.72 1c8k h LYS 810 CO -0.68 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 177.69 1c8k n PHE 811 N -3.15 1.14 -2.80 1.91 3.72 0.19 -4.80 117.46 113.68 1c8k n PHE 811 Ca -0.03 -0.42 -0.40 0.00 -0.05 0.00 0.00 57.45 56.56 1c8k n PHE 811 Cb 0.09 -0.28 -0.06 0.00 -0.94 0.00 0.00 39.48 38.30 1c8k n PHE 811 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1c8k s SER 812 N -0.60 7.58 0.12 4.37 0.15 -1.09 -0.74 113.70 123.48 1c8k s SER 812 Ca 0.33 1.87 0.16 0.00 0.70 0.00 0.00 55.95 59.01 1c8k s SER 812 Cb 0.24 -2.58 0.70 0.00 -1.71 0.00 0.00 66.02 62.66 1c8k s SER 812 CO 0.12 0.15 1.49 -1.54 1.20 0.00 0.00 173.24 174.67 1c8k n SER 813 N 1.63 0.28 -0.08 5.45 3.41 0.13 -1.64 113.62 122.80 1c8k n SER 813 Ca -0.02 0.58 -0.08 0.00 -0.26 0.00 0.00 58.87 59.09 1c8k n SER 813 Cb 0.48 -0.64 0.08 0.00 -0.26 0.00 0.00 64.21 63.87 1c8k n SER 813 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1c8k h ASP 814 N 0.00 0.79 -0.18 4.04 3.32 -1.91 0.95 116.42 123.43 1c8k h ASP 814 Ca 0.00 -0.30 -0.04 0.00 0.02 0.00 0.00 57.03 56.71 1c8k h ASP 814 Cb 0.22 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1c8k h ASP 814 CO 0.00 1.01 -0.05 -0.09 -1.72 0.00 0.00 179.24 178.39 1c8k h ARG 815 N 0.67 0.36 0.01 3.56 1.12 -1.64 -0.95 114.38 117.51 1c8k h ARG 815 Ca 0.09 -0.14 0.02 0.00 -1.11 0.00 0.00 59.98 58.83 1c8k h ARG 815 Cb 0.77 -0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 30.69 1c8k h ARG 815 CO 0.06 0.63 -0.12 1.15 -3.11 0.00 0.00 179.97 178.59 1c8k h THR 816 N 0.06 0.71 -0.78 0.20 2.02 -1.42 -2.10 112.91 111.60 1c8k h THR 816 Ca 0.04 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.20 1c8k h THR 816 Cb 0.50 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.59 1c8k h THR 816 CO 0.02 0.00 0.37 0.40 0.37 0.00 0.00 175.52 176.68 1c8k h ILE 817 N -0.20 1.24 -0.40 3.11 1.08 -0.80 -1.53 117.51 120.02 1c8k h ILE 817 Ca 0.04 -0.69 -0.01 0.00 -0.39 0.00 0.00 64.86 63.82 1c8k h ILE 817 Cb 0.25 0.25 -0.02 0.00 -3.07 0.00 0.00 36.82 34.23 1c8k h ILE 817 CO -0.11 0.29 0.22 0.00 -0.69 0.00 0.00 178.15 177.87 1c8k h ALA 818 N 1.30 1.65 -0.12 1.87 0.00 -0.85 0.85 119.26 123.96 1c8k h ALA 818 Ca 0.27 -0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.90 1c8k h ALA 818 Cb 0.11 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.75 1c8k h ALA 818 CO -0.03 0.30 -0.78 1.96 0.00 0.00 0.00 179.25 180.70 1c8k h GLN 819 N 0.55 0.74 -0.37 0.00 4.20 -0.64 -1.91 115.11 117.67 1c8k h GLN 819 Ca 0.14 -0.63 -0.01 0.00 0.06 0.00 0.00 58.65 58.21 1c8k h GLN 819 Cb 0.00 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 1c8k h GLN 819 CO -0.03 1.24 0.18 1.88 -0.67 0.00 0.00 178.83 181.44 1c8k h TYR 820 N 0.45 0.52 0.14 2.96 0.05 -0.89 0.17 116.97 120.37 1c8k h TYR 820 Ca -0.06 -0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.71 1c8k h TYR 820 Cb 1.41 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 38.97 1c8k h TYR 820 CO 0.10 0.43 -0.21 0.00 -1.05 0.00 0.00 178.16 177.43 1c8k h ALA 821 N 1.04 -0.37 -0.01 3.88 0.00 -0.82 0.43 119.26 123.40 1c8k h ALA 821 Ca 0.13 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1c8k h ALA 821 Cb 0.10 0.33 0.01 0.00 0.00 0.00 0.00 17.79 18.23 1c8k h ALA 821 CO -0.02 -0.75 -0.53 0.00 0.00 0.00 0.00 179.25 177.96 1c8k h ARG 822 N -0.41 0.38 0.00 0.00 3.08 -1.27 0.28 114.38 116.44 1c8k h ARG 822 Ca 0.02 -0.39 0.00 0.00 0.07 0.00 0.00 59.98 59.68 1c8k h ARG 822 Cb 0.42 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1c8k h ARG 822 CO -0.10 1.06 -0.47 0.39 -1.07 0.00 0.00 179.97 179.78 1c8k n GLU 823 N -4.27 0.01 0.00 0.04 1.02 0.60 -4.20 120.64 113.84 1c8k n GLU 823 Ca -0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 1c8k n GLU 823 Cb 0.63 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 1c8k n GLU 823 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1c8k n ILE 824 N -1.52 0.00 0.12 -3.67 5.41 -0.06 -4.89 119.36 114.76 1c8k n ILE 824 Ca 0.06 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.86 1c8k n ILE 824 Cb 0.34 -0.97 0.02 0.00 -0.71 0.00 0.00 39.64 38.32 1c8k n ILE 824 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 1c8k h TRP 825 N 0.00 0.00 -2.87 1.39 6.55 -0.93 -3.49 115.95 116.60 1c8k h TRP 825 Ca 0.00 0.00 -0.15 0.00 0.95 0.00 0.00 58.89 59.69 1c8k h TRP 825 Cb 0.59 0.00 0.05 0.00 -0.86 0.00 0.00 29.16 28.94 1c8k h TRP 825 CO 0.00 0.33 -0.26 0.41 -1.05 0.00 0.00 178.44 177.87 1c8k n GLY 826 N 1.24 0.37 3.20 1.49 0.00 0.89 -4.97 105.19 107.40 1c8k n GLY 826 Ca -0.01 -0.32 -0.17 0.00 0.00 0.00 0.00 46.02 45.52 1c8k n GLY 826 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1c8k s VAL 827 N -3.12 1.12 -0.26 1.61 -7.23 -0.57 -5.01 120.40 106.94 1c8k s VAL 827 Ca 0.21 -1.56 -0.09 0.00 -1.81 0.00 0.00 61.98 58.74 1c8k s VAL 827 Cb -0.09 -1.32 -0.04 0.00 0.56 0.00 0.00 36.38 35.49 1c8k s VAL 827 CO 0.28 -0.41 0.12 -1.61 -0.31 0.00 0.00 175.10 173.17 1c8k s GLU 828 N -2.41 3.81 0.73 4.82 0.41 -1.26 -3.61 118.70 121.20 1c8k s GLU 828 Ca 0.04 -0.40 -0.14 0.00 -0.41 0.00 0.00 54.97 54.06 1c8k s GLU 828 Cb -0.06 -3.46 0.04 0.00 -1.78 0.00 0.00 34.13 28.87 1c8k s GLU 828 CO 0.02 -0.15 1.17 -1.25 -0.49 0.00 0.00 175.26 174.56 1c8k s PRO 829 N 1.57 2.21 -0.12 0.39 0.04 -1.26 -4.96 135.00 132.87 1c8k s PRO 829 Ca 0.06 1.60 -0.09 0.00 0.04 0.00 0.00 61.00 62.61 1c8k s PRO 829 Cb -0.15 -1.86 0.04 0.00 0.04 0.00 0.00 34.50 32.57 1c8k s PRO 829 CO 0.06 -1.74 0.31 0.45 0.04 0.00 0.00 177.00 176.12 1c8k s SER 830 N -2.34 -0.35 -0.41 6.66 0.15 -0.48 -5.03 113.70 111.91 1c8k s SER 830 Ca 0.71 0.65 0.06 0.00 0.70 0.00 0.00 55.95 58.07 1c8k s SER 830 Cb -0.25 0.60 0.66 0.00 -1.71 0.00 0.00 66.02 65.32 1c8k s SER 830 CO 0.46 -0.14 1.84 0.54 1.20 0.00 0.00 173.24 177.14 1c8k n ARG 831 N 3.58 2.47 -2.77 5.44 5.12 -1.26 -3.20 116.66 126.04 1c8k n ARG 831 Ca -0.19 -3.05 -0.42 0.00 -1.93 0.00 0.00 57.85 52.27 1c8k n ARG 831 Cb 0.56 -2.14 -0.03 0.00 -1.16 0.00 0.00 32.46 29.69 1c8k n ARG 831 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1c8k s GLN 832 N -3.24 4.50 0.23 5.56 -0.21 -1.26 -5.01 119.66 120.23 1c8k s GLN 832 Ca 0.55 1.31 -0.30 0.00 0.02 0.00 0.00 55.36 56.93 1c8k s GLN 832 Cb 0.46 -3.48 -0.10 0.00 1.00 0.00 0.00 33.01 30.89 1c8k s GLN 832 CO 0.10 -0.10 1.45 1.03 -2.12 0.00 0.00 175.29 175.65 1c8k s ARG 833 N 1.24 4.27 0.35 2.91 3.00 -1.26 -4.96 118.95 124.50 1c8k s ARG 833 Ca 0.48 2.29 -0.26 0.00 0.00 0.00 0.00 55.73 58.24 1c8k s ARG 833 Cb -0.20 -3.12 -0.09 0.00 0.00 0.00 0.00 34.95 31.54 1c8k s ARG 833 CO 0.23 -0.43 1.06 -1.17 0.00 0.00 0.00 175.30 174.99 1c8k s LEU 834 N -0.12 4.30 0.00 2.53 2.96 0.12 -4.81 118.68 123.66 1c8k s LEU 834 Ca 0.61 2.12 -0.08 0.00 -0.22 0.00 0.00 54.13 56.56 1c8k s LEU 834 Cb -0.42 -3.97 -0.10 0.00 0.50 0.00 0.00 46.19 42.21 1c8k s LEU 834 CO 0.41 -0.35 0.77 -0.81 -1.32 0.00 0.00 176.35 175.05 1c8k n PRO 835 N 0.42 0.00 -0.78 0.98 -0.04 -1.26 -4.73 135.00 129.59 1c8k n PRO 835 Ca 0.03 -0.27 0.07 0.00 -0.04 0.00 0.00 63.50 63.29 1c8k n PRO 835 Cb 0.48 -1.40 -0.02 0.00 -0.04 0.00 0.00 33.50 32.51 1c8k n PRO 835 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1c8k n ALA 836 N 4.91 -2.67 0.04 0.55 0.00 -1.26 -4.64 120.51 117.44 1c8k n ALA 836 Ca 0.12 0.24 0.11 0.00 0.00 0.00 0.00 53.44 53.91 1c8k n ALA 836 Cb 0.28 -0.84 -0.09 0.00 0.00 0.00 0.00 19.45 18.80 1c8k n ALA 836 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1c8k n PRO 837 N -2.64 0.63 0.00 0.00 -0.04 -1.26 -4.96 135.00 126.74 1c8k n PRO 837 Ca -0.01 -0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1c8k n PRO 837 Cb 0.57 -1.68 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 1c8k n PRO 837 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1c8k n ASP 838 N -2.49 0.00 0.00 3.54 2.03 -1.26 -4.57 116.55 113.80 1c8k n ASP 838 Ca -0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.28 1c8k n ASP 838 Cb 0.58 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.98 1c8k n ASP 838 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1c8k n GLU 839 N 0.00 0.00 -1.80 -0.67 0.00 -1.26 -4.95 120.64 111.96 1c8k n GLU 839 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1c8k n GLU 839 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1c8k n GLU 839 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 1c8k n LYS 840 N 0.00 -4.21 -3.22 5.31 -0.00 -1.26 -5.02 118.16 109.76 1c8k n LYS 840 Ca 0.00 3.06 -0.10 0.00 -0.00 0.00 0.00 58.31 61.27 1c8k n LYS 840 Cb 0.00 -3.49 -0.04 0.00 -0.00 0.00 0.00 35.03 31.49 1c8k n LYS 840 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 1c8k s ILE 841 N -2.18 -0.60 -2.12 0.58 -1.16 -1.26 -5.14 121.20 109.31 1c8k s ILE 841 Ca 0.00 -0.81 0.31 0.00 -0.51 0.00 0.00 60.65 59.64 1c8k s ILE 841 Cb 0.00 -0.39 0.82 0.00 0.61 0.00 0.00 42.46 43.50 1c8k s ILE 841 CO 0.00 -0.36 2.11 -0.81 -2.81 0.00 0.00 174.94 173.07