#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c50 n SER 14 N 0.00 0.00 -3.24 4.38 2.88 -1.26 -4.97 113.62 111.41 1c50 n SER 14 Ca 0.00 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.16 1c50 n SER 14 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1c50 n SER 14 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1c50 n VAL 15 N -1.35 4.86 -0.37 2.46 3.14 -1.26 -4.49 118.33 121.31 1c50 n VAL 15 Ca 0.00 -4.67 -0.05 0.00 -2.96 0.00 0.00 64.34 56.66 1c50 n VAL 15 Cb 0.00 -1.63 0.20 0.00 -1.06 0.00 0.00 33.84 31.35 1c50 n VAL 15 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1c50 n ARG 16 N 0.46 2.78 0.00 1.45 1.74 -1.26 -5.00 116.66 116.82 1c50 n ARG 16 Ca 0.53 -2.07 0.00 0.00 -0.77 0.00 0.00 57.85 55.54 1c50 n ARG 16 Cb 0.30 -1.91 0.00 0.00 -1.02 0.00 0.00 32.46 29.83 1c50 n ARG 16 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1c50 n GLY 17 N -0.07 -2.40 3.90 -0.13 0.00 -1.26 -1.66 105.19 103.58 1c50 n GLY 17 Ca 0.29 -2.12 -0.33 0.00 0.00 0.00 0.00 46.02 43.87 1c50 n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1c50 s LEU 18 N 0.00 4.35 -0.91 0.99 2.01 -1.26 -4.72 118.68 119.15 1c50 s LEU 18 Ca 0.00 0.40 -0.00 0.00 0.01 0.00 0.00 54.13 54.54 1c50 s LEU 18 Cb 0.00 -2.84 0.29 0.00 0.01 0.00 0.00 46.19 43.65 1c50 s LEU 18 CO 0.00 0.20 1.22 0.00 1.01 0.00 0.00 176.35 178.78 1c50 n ALA 19 N 0.64 4.80 -1.77 4.21 0.00 -1.26 -3.87 120.51 123.26 1c50 n ALA 19 Ca -0.08 -4.79 -0.40 0.00 0.00 0.00 0.00 53.44 48.17 1c50 n ALA 19 Cb 0.52 -1.78 0.02 0.00 0.00 0.00 0.00 19.45 18.21 1c50 n ALA 19 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1c50 s GLY 20 N -2.08 2.92 0.15 0.00 0.00 -1.26 -4.87 107.32 102.17 1c50 s GLY 20 Ca 0.35 1.48 -0.21 0.00 0.00 0.00 0.00 44.72 46.34 1c50 s GLY 20 CO 0.05 2.09 1.66 -2.08 0.00 0.00 0.00 173.10 174.82 1c50 h VAL 21 N 2.31 0.54 -0.49 1.40 2.07 -2.00 -1.42 116.25 118.66 1c50 h VAL 21 Ca -0.51 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 66.89 1c50 h VAL 21 Cb 1.27 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1c50 h VAL 21 CO 0.61 0.00 -0.19 -0.33 0.02 0.00 0.00 177.57 177.69 1c50 h GLU 22 N -0.15 0.98 -0.21 1.57 3.07 -2.00 -3.08 114.58 114.76 1c50 h GLU 22 Ca 0.14 -0.40 -0.16 0.00 -0.50 0.00 0.00 59.36 58.44 1c50 h GLU 22 Cb 0.35 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 1c50 h GLU 22 CO -0.34 1.07 -0.52 -0.91 -1.40 0.00 0.00 179.01 176.92 1c50 h ASN 23 N 0.85 0.67 -0.19 1.42 4.21 -1.89 -0.95 115.58 119.69 1c50 h ASN 23 Ca 0.12 -0.35 -0.08 0.00 1.21 0.00 0.00 56.30 57.20 1c50 h ASN 23 Cb 0.75 -0.19 -0.02 0.00 -1.12 0.00 0.00 38.32 37.75 1c50 h ASN 23 CO 0.06 1.07 -0.14 0.58 -1.29 0.00 0.00 177.43 177.71 1c50 h VAL 24 N 0.47 1.25 -0.21 2.81 2.07 -1.32 0.98 116.25 122.30 1c50 h VAL 24 Ca 0.02 -1.11 -0.08 0.00 0.82 0.00 0.00 66.70 66.35 1c50 h VAL 24 Cb 1.07 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1c50 h VAL 24 CO 0.10 0.37 -0.16 0.74 0.02 0.00 0.00 177.57 178.63 1c50 h THR 25 N 0.54 1.32 -0.62 2.57 2.02 -1.43 -2.01 112.91 115.29 1c50 h THR 25 Ca 0.09 -1.29 -0.02 0.00 0.77 0.00 0.00 66.41 65.96 1c50 h THR 25 Cb 0.55 1.70 -0.03 0.00 -1.74 0.00 0.00 68.15 68.64 1c50 h THR 25 CO 0.04 0.40 0.33 -0.08 0.37 0.00 0.00 175.52 176.57 1c50 h GLU 26 N 0.17 0.87 -0.87 6.66 4.57 -0.90 -2.47 114.58 122.61 1c50 h GLU 26 Ca 0.04 -0.11 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 1c50 h GLU 26 Cb 0.69 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 29.08 1c50 h GLU 26 CO 0.04 0.68 0.46 -0.07 -1.18 0.00 0.00 179.01 178.94 1c50 h LEU 27 N 0.84 1.11 -0.32 1.64 4.07 -0.74 -2.48 115.31 119.43 1c50 h LEU 27 Ca 0.22 -0.11 -0.02 0.00 0.08 0.00 0.00 57.88 58.04 1c50 h LEU 27 Cb 0.07 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.51 1c50 h LEU 27 CO -0.03 0.90 0.12 0.11 -1.08 0.00 0.00 178.44 178.46 1c50 h LYS 28 N 1.23 0.49 -0.05 1.13 1.57 -1.01 -0.81 116.57 119.11 1c50 h LYS 28 Ca 0.30 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.89 1c50 h LYS 28 Cb 0.06 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1c50 h LYS 28 CO -0.05 0.51 -0.41 1.57 -0.57 0.00 0.00 179.45 180.50 1c50 h LYS 29 N 0.37 0.11 0.00 3.15 2.10 -1.34 -1.94 116.57 119.02 1c50 h LYS 29 Ca 0.11 -0.05 -0.13 0.00 -2.00 0.00 0.00 60.65 58.58 1c50 h LYS 29 Cb 0.21 -0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.52 1c50 h LYS 29 CO -0.01 0.51 -0.61 -0.91 -2.00 0.00 0.00 179.45 176.43 1c50 h ASN 30 N 0.09 0.00 -0.33 7.07 2.35 -1.29 0.54 115.58 124.02 1c50 h ASN 30 Ca 0.01 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.65 1c50 h ASN 30 Cb 0.77 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.13 1c50 h ASN 30 CO 0.06 0.61 -0.21 0.15 -1.65 0.00 0.00 177.43 176.40 1c50 h PHE 31 N 0.00 0.85 -0.07 1.19 3.04 -0.69 -2.20 116.94 119.06 1c50 h PHE 31 Ca -0.01 -0.22 -0.14 0.00 3.98 0.00 0.00 57.97 61.58 1c50 h PHE 31 Cb 1.23 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 39.54 1c50 h PHE 31 CO 0.00 0.95 -0.58 -0.91 -2.02 0.00 0.00 178.31 175.76 1c50 h ASN 32 N 0.50 0.24 -0.33 0.41 2.35 -1.21 -1.20 115.58 116.35 1c50 h ASN 32 Ca 0.07 -0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1c50 h ASN 32 Cb 0.76 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 39.04 1c50 h ASN 32 CO 0.06 0.77 0.19 -0.09 -1.65 0.00 0.00 177.43 176.70 1c50 h ARG 33 N 0.16 0.45 -0.27 0.81 1.12 -0.70 -2.47 114.38 113.49 1c50 h ARG 33 Ca -0.00 -0.05 -0.17 0.00 -1.11 0.00 0.00 59.98 58.64 1c50 h ARG 33 Cb 1.06 -0.09 -0.00 0.00 -0.01 0.00 0.00 29.97 30.93 1c50 h ARG 33 CO 0.09 0.37 -0.53 0.45 -3.11 0.00 0.00 179.97 177.24 1c50 h HIS 34 N 0.41 0.97 -0.55 2.20 3.86 -1.26 0.21 115.15 120.99 1c50 h HIS 34 Ca 0.12 -0.34 0.01 0.00 -1.16 0.00 0.00 60.37 59.00 1c50 h HIS 34 Cb 0.04 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.30 1c50 h HIS 34 CO -0.03 1.13 0.37 1.25 0.86 0.00 0.00 177.93 181.51 1c50 h LEU 35 N 0.60 0.63 0.00 2.43 5.85 -1.12 0.28 115.31 123.98 1c50 h LEU 35 Ca 0.02 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1c50 h LEU 35 Cb 1.11 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.98 1c50 h LEU 35 CO 0.11 0.45 -0.00 -0.74 -0.34 0.00 0.00 178.44 177.92 1c50 h HIS 36 N 0.74 0.00 -0.10 1.25 2.76 -1.32 0.34 115.15 118.82 1c50 h HIS 36 Ca 0.21 0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 58.20 1c50 h HIS 36 Cb -0.07 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.89 1c50 h HIS 36 CO -0.00 0.00 -0.68 0.74 -1.30 0.00 0.00 177.93 176.69 1c50 h PHE 37 N -0.25 0.56 0.11 5.26 0.04 -1.04 -0.90 116.94 120.71 1c50 h PHE 37 Ca 0.00 -0.23 -0.35 0.00 2.80 0.00 0.00 57.97 60.19 1c50 h PHE 37 Cb 0.00 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.04 1c50 h PHE 37 CO -0.00 0.97 -1.91 2.41 -0.60 0.00 0.00 178.31 179.18 1c50 n THR 38 N -3.87 1.76 1.01 -1.55 -1.04 -0.52 -4.33 114.28 105.74 1c50 n THR 38 Ca -0.04 -0.58 0.11 0.00 -2.04 0.00 0.00 64.05 61.50 1c50 n THR 38 Cb 0.67 -1.78 -0.01 0.00 -1.82 0.00 0.00 70.33 67.40 1c50 n THR 38 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1c50 n LEU 39 N -3.60 1.84 -4.00 -4.42 4.32 -0.03 -4.98 117.00 106.13 1c50 n LEU 39 Ca -0.32 -0.70 -0.28 0.00 -0.02 0.00 0.00 56.01 54.69 1c50 n LEU 39 Cb 1.01 -0.01 -0.02 0.00 -1.62 0.00 0.00 43.42 42.78 1c50 n LEU 39 CO 0.40 0.35 -0.17 0.52 -1.22 0.00 0.00 177.39 177.28 1c50 n VAL 40 N -0.27 -2.61 -4.32 4.08 0.31 -0.34 -4.94 118.33 110.23 1c50 n VAL 40 Ca 0.08 -0.37 -0.17 0.00 -0.01 0.00 0.00 64.34 63.88 1c50 n VAL 40 Cb 0.44 -2.49 -0.10 0.00 -0.91 0.00 0.00 33.84 30.78 1c50 n VAL 40 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1c50 s LYS 41 N -6.62 1.29 0.11 5.55 -0.14 0.09 -5.00 119.74 115.01 1c50 s LYS 41 Ca 0.19 -1.63 0.07 0.00 -1.36 0.00 0.00 55.97 53.24 1c50 s LYS 41 Cb -0.10 -0.64 -0.04 0.00 -1.68 0.00 0.00 37.83 35.37 1c50 s LYS 41 CO 0.89 -0.05 -0.17 0.16 -0.76 0.00 0.00 175.35 175.42 1c50 s ASP 42 N -3.28 2.19 0.44 2.83 -4.77 -1.26 -3.86 116.67 108.96 1c50 s ASP 42 Ca 0.26 -0.73 0.09 0.00 -3.30 0.00 0.00 52.55 48.87 1c50 s ASP 42 Cb 0.05 -0.10 0.47 0.00 -1.09 0.00 0.00 42.92 42.25 1c50 s ASP 42 CO 0.07 -0.05 1.15 0.03 0.70 0.00 0.00 175.17 177.07 1c50 h ARG 43 N 3.85 0.00 0.00 2.11 2.47 -1.96 0.11 114.38 120.95 1c50 h ARG 43 Ca -0.42 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.30 1c50 h ARG 43 Cb 1.19 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.51 1c50 h ARG 43 CO 0.45 0.00 -0.57 -0.91 0.56 0.00 0.00 179.97 179.49 1c50 h ASN 44 N 0.00 0.00 0.00 7.04 2.35 -2.05 -3.37 115.58 119.55 1c50 h ASN 44 Ca 0.00 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.57 1c50 h ASN 44 Cb 1.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.54 1c50 h ASN 44 CO 0.00 0.09 0.00 1.33 -1.65 0.00 0.00 177.43 177.20 1c50 n VAL 45 N -2.16 0.27 -2.47 2.81 0.24 0.32 -5.06 118.33 112.27 1c50 n VAL 45 Ca 0.03 -0.35 -0.41 0.00 -2.04 0.00 0.00 64.34 61.57 1c50 n VAL 45 Cb 0.44 1.08 -0.04 0.00 -1.47 0.00 0.00 33.84 33.86 1c50 n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1c50 s ALA 46 N -0.27 3.37 0.33 2.33 0.00 -0.86 -4.90 121.76 121.77 1c50 s ALA 46 Ca 0.00 0.83 0.07 0.00 0.00 0.00 0.00 51.96 52.86 1c50 s ALA 46 Cb 0.00 -3.39 -0.01 0.00 0.00 0.00 0.00 23.12 19.72 1c50 s ALA 46 CO 0.00 -0.31 0.43 0.95 0.00 0.00 0.00 175.76 176.83 1c50 s THR 47 N 0.29 4.03 0.52 0.00 -4.23 -1.26 -4.94 115.64 110.05 1c50 s THR 47 Ca 0.53 -1.07 0.29 0.00 -1.18 0.00 0.00 61.69 60.26 1c50 s THR 47 Cb -0.29 -3.39 0.46 0.00 1.34 0.00 0.00 72.50 70.62 1c50 s THR 47 CO 0.33 -0.17 1.89 -0.65 -0.54 0.00 0.00 174.62 175.48 1c50 h PRO 48 N 0.98 0.05 0.00 3.99 0.11 -1.99 0.40 132.00 135.54 1c50 h PRO 48 Ca -0.46 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.55 1c50 h PRO 48 Cb 1.25 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1c50 h PRO 48 CO 0.54 0.03 -0.47 -0.09 -0.21 0.00 0.00 178.00 177.81 1c50 h ARG 49 N 0.05 0.00 -0.08 1.05 2.43 -1.96 -0.96 114.38 114.90 1c50 h ARG 49 Ca 0.42 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.55 1c50 h ARG 49 Cb 1.59 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.14 1c50 h ARG 49 CO -0.03 0.47 -0.11 -0.44 -1.51 0.00 0.00 179.97 178.35 1c50 h ASP 50 N 0.00 0.24 -0.71 -3.80 3.32 -0.59 -2.54 116.42 112.34 1c50 h ASP 50 Ca -0.00 -0.51 0.03 0.00 0.02 0.00 0.00 57.03 56.56 1c50 h ASP 50 Cb 0.86 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 40.30 1c50 h ASP 50 CO 0.06 0.71 0.47 1.88 -1.72 0.00 0.00 179.24 180.64 1c50 h TYR 51 N -0.22 0.83 -0.48 4.55 0.05 -1.16 -0.27 116.97 120.27 1c50 h TYR 51 Ca 0.01 0.02 -0.13 0.00 0.05 0.00 0.00 58.73 58.68 1c50 h TYR 51 Cb 0.65 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 38.10 1c50 h TYR 51 CO 0.10 0.49 -0.21 -0.92 -1.05 0.00 0.00 178.16 176.57 1c50 h TYR 52 N 0.86 1.13 -0.17 4.88 3.20 -1.13 -2.26 116.97 123.48 1c50 h TYR 52 Ca 0.28 -0.27 -0.12 0.00 3.14 0.00 0.00 58.73 61.76 1c50 h TYR 52 Cb 0.05 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.05 1c50 h TYR 52 CO -0.00 1.09 -0.40 0.74 -1.64 0.00 0.00 178.16 177.95 1c50 h PHE 53 N 0.86 0.46 -0.50 -3.82 0.04 -0.89 0.16 116.94 113.24 1c50 h PHE 53 Ca 0.11 -0.13 -0.05 0.00 2.80 0.00 0.00 57.97 60.71 1c50 h PHE 53 Cb 0.78 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.81 1c50 h PHE 53 CO 0.05 0.73 0.13 0.00 -0.60 0.00 0.00 178.31 178.62 1c50 h ALA 54 N 1.25 0.66 -0.29 2.45 0.00 -0.94 -1.62 119.26 120.78 1c50 h ALA 54 Ca 0.03 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1c50 h ALA 54 Cb 0.85 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1c50 h ALA 54 CO 0.07 0.35 -0.00 1.25 0.00 0.00 0.00 179.25 180.92 1c50 h LEU 55 N 0.69 0.50 -0.52 0.00 5.85 -1.18 -1.50 115.31 119.16 1c50 h LEU 55 Ca 0.16 -0.31 0.08 0.00 0.84 0.00 0.00 57.88 58.65 1c50 h LEU 55 Cb 0.33 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.16 1c50 h LEU 55 CO 0.00 0.69 0.14 0.00 -0.34 0.00 0.00 178.44 178.93 1c50 h ALA 56 N 0.83 0.61 -0.45 1.25 0.00 -0.80 0.47 119.26 121.17 1c50 h ALA 56 Ca 0.08 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1c50 h ALA 56 Cb 0.43 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1c50 h ALA 56 CO 0.02 -0.26 -0.13 0.45 0.00 0.00 0.00 179.25 179.32 1c50 h HIS 57 N 0.30 0.93 -0.64 0.00 3.86 -1.18 0.92 115.15 119.33 1c50 h HIS 57 Ca 0.26 -0.18 -0.07 0.00 -1.16 0.00 0.00 60.37 59.22 1c50 h HIS 57 Cb 0.32 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.53 1c50 h HIS 57 CO -0.20 0.91 0.13 1.15 0.86 0.00 0.00 177.93 180.78 1c50 h THR 58 N 0.75 1.26 -0.06 2.45 2.02 -0.24 -1.23 112.91 117.86 1c50 h THR 58 Ca 0.12 -0.97 -0.17 0.00 0.77 0.00 0.00 66.41 66.15 1c50 h THR 58 Cb 0.63 0.65 0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1c50 h THR 58 CO 0.04 0.37 -0.64 0.58 0.37 0.00 0.00 175.52 176.24 1c50 h VAL 59 N 0.97 1.37 -0.10 3.16 2.07 -0.81 -3.17 116.25 119.73 1c50 h VAL 59 Ca 0.20 -1.98 0.03 0.00 0.82 0.00 0.00 66.70 65.77 1c50 h VAL 59 Cb 0.39 2.33 -0.00 0.00 -1.52 0.00 0.00 31.29 32.49 1c50 h VAL 59 CO 0.01 0.59 0.09 -0.09 0.02 0.00 0.00 177.57 178.19 1c50 h ARG 60 N 0.13 0.00 -0.17 1.57 2.43 -0.65 -0.81 114.38 116.87 1c50 h ARG 60 Ca -0.06 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 1c50 h ARG 60 Cb 1.30 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.84 1c50 h ARG 60 CO 0.13 0.00 -0.02 -0.44 -1.51 0.00 0.00 179.97 178.13 1c50 h ASP 61 N 0.00 0.22 1.01 -3.80 3.32 -1.19 -2.53 116.42 113.44 1c50 h ASP 61 Ca 0.05 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1c50 h ASP 61 Cb 0.22 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1c50 h ASP 61 CO -0.00 0.28 0.00 0.45 -1.72 0.00 0.00 179.24 178.25 1c50 h HIS 62 N 0.24 0.00 -0.02 4.55 3.86 -1.25 -3.21 115.15 119.32 1c50 h HIS 62 Ca 0.06 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1c50 h HIS 62 Cb 0.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.67 1c50 h HIS 62 CO 0.00 0.00 -0.19 1.47 0.86 0.00 0.00 177.93 180.07 1c50 n LEU 63 N -2.46 1.94 -0.04 2.43 -0.00 -0.96 -4.42 117.00 113.49 1c50 n LEU 63 Ca 0.03 -0.86 -0.07 0.00 -0.00 0.00 0.00 56.01 55.11 1c50 n LEU 63 Cb 0.30 0.00 0.12 0.00 -0.00 0.00 0.00 43.42 43.84 1c50 n LEU 63 CO 0.24 0.36 0.68 1.62 -0.00 0.00 0.00 177.39 180.29 1c50 h VAL 64 N 2.40 1.28 -0.17 1.47 3.04 -1.58 0.18 116.25 122.87 1c50 h VAL 64 Ca 0.00 -1.38 -0.02 0.00 -1.01 0.00 0.00 66.70 64.29 1c50 h VAL 64 Cb 0.61 1.33 -0.01 0.00 -2.01 0.00 0.00 31.29 31.21 1c50 h VAL 64 CO 0.00 0.45 0.04 1.23 -1.01 0.00 0.00 177.57 178.28 1c50 h GLY 65 N 1.00 0.29 1.12 3.17 0.00 -1.77 -2.15 103.07 104.73 1c50 h GLY 65 Ca 0.07 -0.18 -0.05 0.00 0.00 0.00 0.00 47.33 47.17 1c50 h GLY 65 CO 0.06 0.17 0.23 3.21 0.00 0.00 0.00 176.54 180.21 1c50 h ARG 66 N 0.08 1.10 -0.18 4.80 3.08 -1.73 -2.53 114.38 119.00 1c50 h ARG 66 Ca 0.05 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.88 1c50 h ARG 66 Cb 0.26 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1c50 h ARG 66 CO 0.00 0.93 0.11 2.35 -1.07 0.00 0.00 179.97 182.29 1c50 h TRP 67 N 1.06 0.23 -0.78 3.04 7.01 -0.54 0.52 115.95 126.49 1c50 h TRP 67 Ca 0.23 0.00 -0.05 0.00 2.11 0.00 0.00 58.89 61.19 1c50 h TRP 67 Cb 0.28 -0.08 -0.03 0.00 -2.10 0.00 0.00 29.16 27.23 1c50 h TRP 67 CO 0.02 0.17 0.30 0.82 -2.79 0.00 0.00 178.44 176.95 1c50 h ILE 68 N 0.22 1.26 0.00 2.65 2.04 -1.28 -2.22 117.51 120.19 1c50 h ILE 68 Ca 0.06 -0.84 -0.15 0.00 1.00 0.00 0.00 64.86 64.93 1c50 h ILE 68 Cb -0.00 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 1c50 h ILE 68 CO -0.01 0.34 -0.71 0.08 0.00 0.00 0.00 178.15 177.85 1c50 h ARG 69 N 1.14 0.00 0.07 2.37 0.11 -1.25 -1.31 114.38 115.51 1c50 h ARG 69 Ca 0.26 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.34 1c50 h ARG 69 Cb 0.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.32 1c50 h ARG 69 CO -0.02 0.71 -0.03 1.15 0.10 0.00 0.00 179.97 181.88 1c50 h THR 70 N 0.00 1.17 -1.00 0.08 2.02 -0.72 0.32 112.91 114.78 1c50 h THR 70 Ca -0.01 -0.88 0.01 0.00 0.77 0.00 0.00 66.41 66.30 1c50 h THR 70 Cb 1.37 1.74 -0.05 0.00 -1.74 0.00 0.00 68.15 69.48 1c50 h THR 70 CO 0.09 0.22 0.66 1.56 0.37 0.00 0.00 175.52 178.42 1c50 h GLN 71 N -0.50 1.32 -0.76 6.66 1.08 -1.45 -0.55 115.11 120.92 1c50 h GLN 71 Ca -0.01 -0.08 -0.04 0.00 -1.45 0.00 0.00 58.65 57.07 1c50 h GLN 71 Cb 0.43 -0.30 -0.03 0.00 -0.05 0.00 0.00 27.48 27.53 1c50 h GLN 71 CO 0.02 0.87 0.32 0.37 -0.95 0.00 0.00 178.83 179.46 1c50 h GLN 72 N 1.36 1.12 0.02 1.46 5.75 -1.09 -2.51 115.11 121.22 1c50 h GLN 72 Ca 0.37 -0.19 -0.00 0.00 -0.15 0.00 0.00 58.65 58.67 1c50 h GLN 72 Cb -0.16 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 28.21 1c50 h GLN 72 CO -0.08 0.90 -0.01 1.25 -2.65 0.00 0.00 178.83 178.24 1c50 h HIS 73 N 1.09 -0.03 -0.42 3.99 2.76 0.83 -1.87 115.15 121.51 1c50 h HIS 73 Ca 0.26 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.47 1c50 h HIS 73 Cb 0.19 0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.13 1c50 h HIS 73 CO 0.02 0.09 0.28 1.88 -1.30 0.00 0.00 177.93 178.90 1c50 h TYR 74 N -0.14 0.37 -0.20 5.26 0.05 -1.02 0.40 116.97 121.68 1c50 h TYR 74 Ca -0.00 0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.73 1c50 h TYR 74 Cb 0.13 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 1c50 h TYR 74 CO -0.04 0.21 -0.08 -0.92 -1.05 0.00 0.00 178.16 176.27 1c50 h TYR 75 N 0.37 0.47 0.15 4.88 3.20 -1.06 0.38 116.97 125.37 1c50 h TYR 75 Ca 0.18 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 1c50 h TYR 75 Cb 0.23 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.39 1c50 h TYR 75 CO -0.00 0.69 -0.07 0.93 -1.64 0.00 0.00 178.16 178.07 1c50 h GLU 76 N 0.11 -0.20 0.00 1.82 4.39 -0.59 -3.23 114.58 116.88 1c50 h GLU 76 Ca 0.05 0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.66 1c50 h GLU 76 Cb 0.56 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 1c50 h GLU 76 CO 0.03 0.18 -0.49 -0.22 -1.16 0.00 0.00 179.01 177.35 1c50 h LYS 77 N -0.63 0.00 -5.96 2.33 3.64 -1.03 -3.48 116.57 111.44 1c50 h LYS 77 Ca -0.02 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 58.99 1c50 h LYS 77 Cb 0.47 0.00 0.12 0.00 -0.41 0.00 0.00 32.23 32.41 1c50 h LYS 77 CO 0.03 0.49 -0.90 -3.47 -2.27 0.00 0.00 179.45 173.33 1c50 n ASP 78 N -3.96 -5.41 -4.38 4.20 2.03 0.13 -5.01 116.55 104.16 1c50 n ASP 78 Ca -0.02 -0.90 -0.28 0.00 0.52 0.00 0.00 54.79 54.12 1c50 n ASP 78 Cb 0.51 -4.05 0.15 0.00 -0.72 0.00 0.00 41.12 37.01 1c50 n ASP 78 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1c50 s PRO 79 N -5.45 1.10 0.17 -0.67 0.04 -1.25 -5.00 135.00 123.93 1c50 s PRO 79 Ca 0.43 -0.54 -0.30 0.00 0.04 0.00 0.00 61.00 60.63 1c50 s PRO 79 Cb -0.12 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 32.34 1c50 s PRO 79 CO 0.82 -2.04 1.32 0.21 0.04 0.00 0.00 177.00 177.35 1c50 s LYS 80 N -5.64 4.38 -0.08 4.56 2.20 -1.26 -4.96 119.74 118.94 1c50 s LYS 80 Ca 0.70 2.03 -0.13 0.00 -0.36 0.00 0.00 55.97 58.21 1c50 s LYS 80 Cb -0.05 -3.22 -0.05 0.00 -1.51 0.00 0.00 37.83 33.00 1c50 s LYS 80 CO 0.50 -0.29 0.33 1.03 -0.36 0.00 0.00 175.35 176.56 1c50 s ARG 81 N 0.24 3.96 -0.21 4.03 3.00 0.92 -4.59 118.95 126.31 1c50 s ARG 81 Ca 0.58 0.22 -0.07 0.00 0.00 0.00 0.00 55.73 56.46 1c50 s ARG 81 Cb -0.36 -3.29 -0.03 0.00 0.00 0.00 0.00 34.95 31.26 1c50 s ARG 81 CO 0.36 0.53 0.05 0.42 0.00 0.00 0.00 175.30 176.66 1c50 s ILE 82 N -0.47 4.46 -0.25 1.52 -1.09 -0.37 -1.32 121.20 123.68 1c50 s ILE 82 Ca 0.20 -0.14 -0.02 0.00 -2.23 0.00 0.00 60.65 58.47 1c50 s ILE 82 Cb -0.15 -3.04 0.03 0.00 -1.58 0.00 0.00 42.46 37.72 1c50 s ILE 82 CO 0.08 0.41 -0.05 -0.31 -1.23 0.00 0.00 174.94 173.84 1c50 s TYR 83 N 0.95 3.09 -0.49 3.97 2.02 0.13 -1.18 117.35 125.84 1c50 s TYR 83 Ca 0.03 -1.58 -0.17 0.00 -0.37 0.00 0.00 57.07 54.99 1c50 s TYR 83 Cb -0.14 -2.07 0.07 0.00 -0.40 0.00 0.00 41.96 39.42 1c50 s TYR 83 CO 0.03 -0.73 0.50 -0.47 -1.57 0.00 0.00 175.55 173.30 1c50 s TYR 84 N 1.32 3.16 -0.27 2.71 5.04 -0.37 -0.39 117.35 128.56 1c50 s TYR 84 Ca -0.00 -0.80 -0.17 0.00 -2.44 0.00 0.00 57.07 53.66 1c50 s TYR 84 Cb -0.17 -3.37 -0.03 0.00 0.35 0.00 0.00 41.96 38.74 1c50 s TYR 84 CO -0.04 -0.92 0.46 -0.51 -1.34 0.00 0.00 175.55 173.21 1c50 s LEU 85 N 2.05 4.06 -0.09 6.97 1.02 -0.48 -1.38 118.68 130.83 1c50 s LEU 85 Ca 0.08 0.41 -0.13 0.00 0.02 0.00 0.00 54.13 54.51 1c50 s LEU 85 Cb -0.23 -2.57 0.03 0.00 0.02 0.00 0.00 46.19 43.44 1c50 s LEU 85 CO 0.08 -0.26 0.34 -0.55 0.02 0.00 0.00 176.35 175.98 1c50 s SER 86 N 1.59 -0.31 0.00 2.29 0.15 -0.97 -1.71 113.70 114.74 1c50 s SER 86 Ca 0.19 0.50 0.25 0.00 0.70 0.00 0.00 55.95 57.59 1c50 s SER 86 Cb -0.16 0.58 1.17 0.00 -1.71 0.00 0.00 66.02 65.91 1c50 s SER 86 CO 0.10 -0.23 1.79 0.18 1.20 0.00 0.00 173.24 176.28 1c50 n LEU 87 N 2.37 0.91 -3.84 3.45 4.32 -1.26 -4.13 117.00 118.83 1c50 n LEU 87 Ca -0.16 -0.34 -0.13 0.00 -0.02 0.00 0.00 56.01 55.37 1c50 n LEU 87 Cb 0.57 -0.03 -0.14 0.00 -1.62 0.00 0.00 43.42 42.20 1c50 n LEU 87 CO 0.17 0.17 -0.31 -1.61 -1.22 0.00 0.00 177.39 174.59 1c50 s GLU 88 N -1.94 0.04 -0.34 3.23 2.02 -1.26 -4.69 118.70 115.75 1c50 s GLU 88 Ca 0.37 0.10 0.00 0.00 0.02 0.00 0.00 54.97 55.46 1c50 s GLU 88 Cb 0.19 -0.03 0.14 0.00 0.10 0.00 0.00 34.13 34.52 1c50 s GLU 88 CO 0.30 -0.04 0.26 -0.06 0.02 0.00 0.00 175.26 175.73 1c50 s PHE 89 N 0.25 0.19 -1.12 1.61 0.08 0.84 -4.64 117.98 115.19 1c50 s PHE 89 Ca -0.02 -1.06 -0.19 0.00 0.12 0.00 0.00 56.93 55.78 1c50 s PHE 89 Cb -0.03 -0.70 0.09 0.00 -0.57 0.00 0.00 43.02 41.81 1c50 s PHE 89 CO -0.01 -0.88 1.49 -0.47 -0.10 0.00 0.00 175.22 175.25 1c50 s TYR 90 N 1.53 2.84 0.05 0.36 6.14 -0.06 -3.71 117.35 124.49 1c50 s TYR 90 Ca 0.15 -1.37 -0.06 0.00 0.64 0.00 0.00 57.07 56.43 1c50 s TYR 90 Cb -0.18 -4.60 -0.29 0.00 0.42 0.00 0.00 41.96 37.30 1c50 s TYR 90 CO -0.12 -1.75 1.04 0.52 0.64 0.00 0.00 175.55 175.88 1c50 h MET 91 N 8.54 0.31 0.00 4.97 2.86 -1.78 -3.41 114.93 126.42 1c50 h MET 91 Ca 0.29 -0.53 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 1c50 h MET 91 Cb 0.95 0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.80 1c50 h MET 91 CO 1.36 1.23 0.00 0.41 1.06 0.00 0.00 176.91 180.97 1c50 n GLY 92 N 1.60 -1.17 3.80 8.32 0.00 -1.08 -4.82 105.19 111.84 1c50 n GLY 92 Ca -0.12 -1.25 -0.31 0.00 0.00 0.00 0.00 46.02 44.35 1c50 n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1c50 s ARG 93 N 0.00 2.50 0.00 1.61 0.52 -1.26 -1.69 118.95 120.63 1c50 s ARG 93 Ca 0.00 0.89 0.00 0.00 -0.52 0.00 0.00 55.73 56.10 1c50 s ARG 93 Cb 0.00 -1.95 0.00 0.00 0.52 0.00 0.00 34.95 33.52 1c50 s ARG 93 CO 0.00 -1.39 0.19 0.25 0.02 0.00 0.00 175.30 174.36 1c50 n THR 94 N -3.32 0.00 0.32 0.02 -2.24 -1.26 -4.78 114.28 103.02 1c50 n THR 94 Ca 0.08 -0.20 -0.15 0.00 -2.27 0.00 0.00 64.05 61.51 1c50 n THR 94 Cb 0.54 1.56 -0.07 0.00 -2.10 0.00 0.00 70.33 70.26 1c50 n THR 94 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1c50 h LEU 95 N 0.00 -0.71 -0.61 3.22 5.85 -1.97 -2.59 115.31 118.51 1c50 h LEU 95 Ca 0.00 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1c50 h LEU 95 Cb 0.28 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 1c50 h LEU 95 CO 0.00 -0.34 0.33 -0.61 -0.34 0.00 0.00 178.44 177.48 1c50 h GLN 96 N -1.12 0.85 -0.38 1.25 4.15 -1.97 -1.95 115.11 115.95 1c50 h GLN 96 Ca -0.09 -0.10 0.04 0.00 0.77 0.00 0.00 58.65 59.27 1c50 h GLN 96 Cb 0.68 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 28.19 1c50 h GLN 96 CO 0.14 0.65 0.25 -0.97 -1.93 0.00 0.00 178.83 176.97 1c50 h ASN 97 N 0.83 0.31 0.03 -0.69 -0.73 -1.87 0.92 115.58 114.39 1c50 h ASN 97 Ca 0.21 -0.00 -0.22 0.00 1.87 0.00 0.00 56.30 58.17 1c50 h ASN 97 Cb 0.04 -0.07 0.01 0.00 0.27 0.00 0.00 38.32 38.57 1c50 h ASN 97 CO -0.03 0.22 -0.80 0.74 -0.37 0.00 0.00 177.43 177.18 1c50 h THR 98 N 0.37 1.32 -0.63 -3.57 2.02 -0.99 -2.28 112.91 109.14 1c50 h THR 98 Ca 0.16 -2.08 -0.09 0.00 0.77 0.00 0.00 66.41 65.16 1c50 h THR 98 Cb 0.17 2.09 -0.02 0.00 -1.74 0.00 0.00 68.15 68.64 1c50 h THR 98 CO -0.04 0.65 0.02 0.24 0.37 0.00 0.00 175.52 176.76 1c50 h MET 99 N 0.42 1.09 0.50 6.66 2.86 -0.53 -2.63 114.93 123.30 1c50 h MET 99 Ca -0.05 -0.34 -0.02 0.00 -2.06 0.00 0.00 59.70 57.22 1c50 h MET 99 Cb 1.41 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.97 1c50 h MET 99 CO 0.15 1.05 -0.24 0.28 1.06 0.00 0.00 176.91 179.21 1c50 h VAL 100 N 1.00 0.50 0.00 -2.22 2.07 -0.79 0.27 116.25 117.08 1c50 h VAL 100 Ca 0.18 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1c50 h VAL 100 Cb 0.54 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1c50 h VAL 100 CO 0.03 0.03 0.00 0.59 0.02 0.00 0.00 177.57 178.24 1c50 n ASN 101 N -5.34 0.00 -0.05 0.57 4.13 -0.87 -1.97 115.26 111.73 1c50 n ASN 101 Ca -0.12 -0.09 0.02 0.00 1.68 0.00 0.00 54.58 56.08 1c50 n ASN 101 Cb 0.30 -0.18 -0.01 0.00 -1.54 0.00 0.00 39.78 38.34 1c50 n ASN 101 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1c50 n LEU 102 N -1.18 0.54 -2.77 3.41 4.32 -0.95 -1.22 117.00 119.13 1c50 n LEU 102 Ca 0.08 -0.65 -0.16 0.00 -0.02 0.00 0.00 56.01 55.26 1c50 n LEU 102 Cb 0.08 0.00 0.06 0.00 -1.62 0.00 0.00 43.42 41.94 1c50 n LEU 102 CO 0.09 0.12 0.15 0.00 -1.22 0.00 0.00 177.39 176.53 1c50 n ALA 103 N -0.70 -1.14 0.38 -1.18 0.00 0.68 -4.94 120.51 113.61 1c50 n ALA 103 Ca 0.01 0.18 0.04 0.00 0.00 0.00 0.00 53.44 53.68 1c50 n ALA 103 Cb 0.08 -3.40 -0.00 0.00 0.00 0.00 0.00 19.45 16.12 1c50 n ALA 103 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1c50 n LEU 104 N -3.63 1.06 0.04 0.00 4.32 0.43 -4.53 117.00 114.69 1c50 n LEU 104 Ca -0.07 -0.75 -0.11 0.00 -0.02 0.00 0.00 56.01 55.06 1c50 n LEU 104 Cb 0.57 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.33 1c50 n LEU 104 CO 0.47 0.22 0.69 -0.08 -1.22 0.00 0.00 177.39 177.47 1c50 h GLU 105 N 0.89 -0.35 -0.44 3.23 4.81 -1.59 -0.30 114.58 120.82 1c50 h GLU 105 Ca 0.00 0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.14 1c50 h GLU 105 Cb 0.28 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 1c50 h GLU 105 CO 0.00 -0.23 -0.19 -0.91 -0.73 0.00 0.00 179.01 176.95 1c50 h ASN 106 N -0.37 0.88 0.08 1.04 2.35 -1.60 -0.74 115.58 117.23 1c50 h ASN 106 Ca 0.07 -0.31 -0.00 0.00 -0.55 0.00 0.00 56.30 55.51 1c50 h ASN 106 Cb 0.47 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1c50 h ASN 106 CO -0.25 1.05 -0.04 0.00 -1.65 0.00 0.00 177.43 176.54 1c50 h ALA 107 N 1.01 -0.11 0.00 -0.83 0.00 -1.62 0.23 119.26 117.94 1c50 h ALA 107 Ca 0.11 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1c50 h ALA 107 Cb 0.72 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1c50 h ALA 107 CO 0.06 -0.56 -0.29 0.00 0.00 0.00 0.00 179.25 178.45 1c50 h ASP 109 N 0.00 0.74 0.22 0.00 1.82 -0.66 -2.17 116.42 116.37 1c50 h ASP 109 Ca -0.00 -0.48 -0.01 0.00 -0.39 0.00 0.00 57.03 56.15 1c50 h ASP 109 Cb 0.57 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 40.37 1c50 h ASP 109 CO 0.04 1.06 -0.10 -0.08 -1.61 0.00 0.00 179.24 178.55 1c50 h GLU 110 N 0.43 -0.28 -0.76 0.28 4.57 -0.64 -2.11 114.58 116.06 1c50 h GLU 110 Ca 0.04 0.02 0.13 0.00 -1.18 0.00 0.00 59.36 58.37 1c50 h GLU 110 Cb 0.86 0.06 -0.09 0.00 -0.16 0.00 0.00 28.75 29.42 1c50 h GLU 110 CO 0.07 0.04 0.34 0.00 -1.18 0.00 0.00 179.01 178.28 1c50 h ALA 111 N 0.07 1.09 -0.05 2.92 0.00 -1.12 -0.64 119.26 121.52 1c50 h ALA 111 Ca -0.03 0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 1c50 h ALA 111 Cb 0.45 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1c50 h ALA 111 CO 0.05 -0.14 -0.72 1.79 0.00 0.00 0.00 179.25 180.23 1c50 h THR 112 N 0.52 1.41 0.07 0.00 1.35 -1.41 -2.46 112.91 112.39 1c50 h THR 112 Ca 0.41 -2.20 0.01 0.00 -0.55 0.00 0.00 66.41 64.08 1c50 h THR 112 Cb 0.57 2.16 -0.02 0.00 -1.73 0.00 0.00 68.15 69.12 1c50 h THR 112 CO -0.36 0.65 -0.12 0.22 -0.25 0.00 0.00 175.52 175.66 1c50 h TYR 113 N 0.19 -0.32 0.00 4.73 3.20 -0.56 0.41 116.97 124.63 1c50 h TYR 113 Ca -0.02 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 1c50 h TYR 113 Cb 1.27 0.13 -0.00 0.00 1.54 0.00 0.00 36.73 39.68 1c50 h TYR 113 CO 0.03 -0.19 -0.04 1.96 -1.64 0.00 0.00 178.16 178.28 1c50 h GLN 114 N -0.24 0.00 -0.03 1.82 4.20 -1.11 0.22 115.11 119.97 1c50 h GLN 114 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1c50 h GLN 114 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1c50 h GLN 114 CO -0.08 0.04 0.00 1.28 -0.67 0.00 0.00 178.83 179.40 1c50 n LEU 115 N -4.10 0.67 -0.01 1.46 4.32 -0.69 -4.89 117.00 113.75 1c50 n LEU 115 Ca -0.03 -0.25 -0.00 0.00 -0.02 0.00 0.00 56.01 55.71 1c50 n LEU 115 Cb 0.13 -0.02 -0.00 0.00 -1.62 0.00 0.00 43.42 41.91 1c50 n LEU 115 CO 0.31 0.12 -0.00 0.61 -1.22 0.00 0.00 177.39 177.21 1c50 n GLY 116 N 1.02 0.39 3.50 -0.72 0.00 0.77 -5.06 105.19 105.10 1c50 n GLY 116 Ca 0.19 -1.06 -0.25 0.00 0.00 0.00 0.00 46.02 44.90 1c50 n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1c50 s LEU 117 N -0.04 2.70 -0.36 0.99 1.43 0.14 -4.99 118.68 118.54 1c50 s LEU 117 Ca 0.00 -0.84 -0.13 0.00 -1.03 0.00 0.00 54.13 52.13 1c50 s LEU 117 Cb 0.00 -1.32 -0.00 0.00 0.03 0.00 0.00 46.19 44.90 1c50 s LEU 117 CO 0.00 0.07 0.25 -0.62 0.23 0.00 0.00 176.35 176.28 1c50 s ASP 118 N -3.13 6.02 0.39 2.29 -1.08 -1.26 -3.34 116.67 116.56 1c50 s ASP 118 Ca 0.26 -0.62 0.07 0.00 -0.52 0.00 0.00 52.55 51.74 1c50 s ASP 118 Cb -0.07 -2.13 0.80 0.00 -1.46 0.00 0.00 42.92 40.06 1c50 s ASP 118 CO 0.14 -0.31 1.99 -0.03 0.52 0.00 0.00 175.17 177.48 1c50 h MET 119 N 8.52 0.47 -0.34 4.34 1.85 -1.91 -2.37 114.93 125.49 1c50 h MET 119 Ca -0.30 -0.06 -0.11 0.00 -0.61 0.00 0.00 59.70 58.63 1c50 h MET 119 Cb 1.14 -0.09 -0.01 0.00 0.43 0.00 0.00 31.60 33.07 1c50 h MET 119 CO 0.67 0.40 -0.25 0.93 -0.40 0.00 0.00 176.91 178.25 1c50 h GLU 120 N 0.47 0.68 -0.10 0.39 5.08 -2.00 -1.41 114.58 117.69 1c50 h GLU 120 Ca 0.12 -0.28 -0.08 0.00 -1.00 0.00 0.00 59.36 58.12 1c50 h GLU 120 Cb 0.11 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1c50 h GLU 120 CO -0.01 0.86 -0.29 1.49 -1.00 0.00 0.00 179.01 180.07 1c50 h GLU 121 N 0.59 0.18 0.04 2.33 4.81 -1.86 -2.90 114.58 117.77 1c50 h GLU 121 Ca 0.08 -0.06 -0.24 0.00 -0.13 0.00 0.00 59.36 59.00 1c50 h GLU 121 Cb 0.74 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.11 1c50 h GLU 121 CO 0.06 0.46 -1.04 -0.07 -0.73 0.00 0.00 179.01 177.69 1c50 h LEU 122 N 0.16 0.52 -1.34 1.64 4.07 -1.15 -3.25 115.31 115.97 1c50 h LEU 122 Ca 0.02 -0.45 -0.07 0.00 0.08 0.00 0.00 57.88 57.46 1c50 h LEU 122 Cb 0.60 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.17 1c50 h LEU 122 CO 0.04 1.28 -0.29 -0.33 -1.08 0.00 0.00 178.44 178.06 1c50 h GLU 123 N 0.19 0.06 0.00 1.13 5.08 -1.08 -2.25 114.58 117.71 1c50 h GLU 123 Ca -0.10 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1c50 h GLU 123 Cb 1.70 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.94 1c50 h GLU 123 CO 0.18 0.35 0.00 0.39 -1.00 0.00 0.00 179.01 178.93 1c50 n GLU 124 N -4.17 0.15 0.13 2.33 -0.58 -1.11 -2.53 120.64 114.85 1c50 n GLU 124 Ca -0.02 0.40 0.01 0.00 -0.42 0.00 0.00 57.16 57.14 1c50 n GLU 124 Cb 0.35 -1.79 0.00 0.00 -0.57 0.00 0.00 31.44 29.43 1c50 n GLU 124 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1c50 h ILE 125 N 0.00 0.98 -3.57 -3.67 2.04 -1.53 -3.46 117.51 108.30 1c50 h ILE 125 Ca 0.00 -2.38 -0.52 0.00 1.00 0.00 0.00 64.86 62.95 1c50 h ILE 125 Cb 0.31 2.48 0.06 0.00 -0.74 0.00 0.00 36.82 38.93 1c50 h ILE 125 CO 0.00 0.56 0.70 -0.70 0.00 0.00 0.00 178.15 178.71 1c50 s GLU 126 N -2.92 4.31 0.22 2.37 2.12 -1.05 -5.00 118.70 118.74 1c50 s GLU 126 Ca 0.03 2.24 -0.22 0.00 0.36 0.00 0.00 54.97 57.38 1c50 s GLU 126 Cb 0.08 -3.11 -0.08 0.00 0.26 0.00 0.00 34.13 31.28 1c50 s GLU 126 CO 0.76 -0.31 0.77 -2.00 -0.54 0.00 0.00 175.26 173.93 1c50 s GLU 127 N -0.87 4.40 0.33 4.30 2.56 -1.26 -4.92 118.70 123.24 1c50 s GLU 127 Ca 0.55 1.03 -0.28 0.00 0.00 0.00 0.00 54.97 56.26 1c50 s GLU 127 Cb -0.40 -3.00 -0.10 0.00 2.00 0.00 0.00 34.13 32.63 1c50 s GLU 127 CO 0.46 0.44 1.20 -0.51 -0.56 0.00 0.00 175.26 176.30 1c50 s ASP 128 N -1.47 6.89 -1.09 -1.70 1.11 -1.26 -4.47 116.67 114.68 1c50 s ASP 128 Ca 0.41 2.46 -0.14 0.00 0.18 0.00 0.00 52.55 55.46 1c50 s ASP 128 Cb -0.19 -2.63 0.18 0.00 1.07 0.00 0.00 42.92 41.35 1c50 s ASP 128 CO 0.23 -0.43 1.26 0.00 1.18 0.00 0.00 175.17 177.41 1c50 s ALA 129 N -1.21 3.95 -1.07 5.23 0.00 -0.68 -4.87 121.76 123.10 1c50 s ALA 129 Ca 0.49 -3.27 -0.06 0.00 0.00 0.00 0.00 51.96 49.12 1c50 s ALA 129 Cb -0.35 -3.98 0.01 0.00 0.00 0.00 0.00 23.12 18.80 1c50 s ALA 129 CO 0.45 -2.71 2.75 0.41 0.00 0.00 0.00 175.76 176.67 1c50 n GLY 130 N 4.26 4.55 2.33 0.00 0.00 -1.26 -2.49 105.19 112.59 1c50 n GLY 130 Ca 0.30 -1.79 -0.23 0.00 0.00 0.00 0.00 46.02 44.30 1c50 n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1c50 n LEU 131 N 2.10 6.28 -3.50 0.99 4.77 -1.24 -0.82 117.00 125.58 1c50 n LEU 131 Ca 0.62 -3.83 -0.08 0.00 -0.03 0.00 0.00 56.01 52.69 1c50 n LEU 131 Cb 0.38 -1.24 -0.02 0.00 -2.33 0.00 0.00 43.42 40.21 1c50 n LEU 131 CO 0.59 1.66 0.69 -0.83 -1.33 0.00 0.00 177.39 178.17 1c50 s GLY 132 N 0.58 -0.46 -0.14 -0.72 0.00 -1.26 -0.11 107.32 105.21 1c50 s GLY 132 Ca 0.56 1.04 -0.07 0.00 0.00 0.00 0.00 44.72 46.25 1c50 s GLY 132 CO -0.16 0.35 0.29 0.70 0.00 0.00 0.00 173.10 174.28 1c50 n ASN 133 N -0.22 2.09 0.00 1.64 3.02 -1.26 -4.57 115.26 115.96 1c50 n ASN 133 Ca -0.09 0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 1c50 n ASN 133 Cb 0.62 -0.83 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 1c50 n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1c50 n GLY 134 N 1.97 0.18 0.16 7.41 0.00 -1.26 -4.93 105.19 108.71 1c50 n GLY 134 Ca -0.34 0.53 -0.05 0.00 0.00 0.00 0.00 46.02 46.16 1c50 n GLY 134 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1c50 h GLY 135 N 0.00 0.37 0.97 -0.02 0.00 -1.99 -1.49 103.07 100.91 1c50 h GLY 135 Ca 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 1c50 h GLY 135 CO 0.00 -0.10 0.23 -2.00 0.00 0.00 0.00 176.54 174.67 1c50 h LEU 136 N 0.09 0.63 -0.60 3.11 6.46 -1.99 -1.89 115.31 121.11 1c50 h LEU 136 Ca 0.19 -0.13 -0.14 0.00 -0.12 0.00 0.00 57.88 57.68 1c50 h LEU 136 Cb 0.27 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.03 1c50 h LEU 136 CO -0.32 0.58 -0.42 1.23 -0.62 0.00 0.00 178.44 178.88 1c50 h GLY 137 N 0.63 0.68 1.82 3.75 0.00 -1.77 -3.08 103.07 105.11 1c50 h GLY 137 Ca 0.17 -0.70 -0.16 0.00 0.00 0.00 0.00 47.33 46.64 1c50 h GLY 137 CO -0.02 0.63 -0.67 -0.09 0.00 0.00 0.00 176.54 176.39 1c50 h ARG 138 N 0.51 0.18 -0.63 4.80 1.12 -1.22 -0.11 114.38 119.02 1c50 h ARG 138 Ca 0.04 -0.14 -0.03 0.00 -1.11 0.00 0.00 59.98 58.73 1c50 h ARG 138 Cb 0.95 0.03 -0.03 0.00 -0.01 0.00 0.00 29.97 30.91 1c50 h ARG 138 CO 0.09 0.79 0.26 1.25 -3.11 0.00 0.00 179.97 179.24 1c50 h LEU 139 N 0.13 0.87 -1.18 3.80 5.85 -1.29 -0.89 115.31 122.60 1c50 h LEU 139 Ca -0.01 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.49 1c50 h LEU 139 Cb 1.20 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.99 1c50 h LEU 139 CO 0.10 0.79 0.04 0.00 -0.34 0.00 0.00 178.44 179.03 1c50 h ALA 140 N 1.11 1.33 -0.36 1.25 0.00 -1.49 0.93 119.26 122.02 1c50 h ALA 140 Ca 0.21 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1c50 h ALA 140 Cb 0.19 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1c50 h ALA 140 CO -0.02 0.46 -0.37 0.00 0.00 0.00 0.00 179.25 179.32 1c50 h ALA 141 N 1.46 0.53 -0.59 0.00 0.00 -1.30 -1.98 119.26 117.38 1c50 h ALA 141 Ca 0.13 -0.45 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 1c50 h ALA 141 Cb 0.31 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1c50 h ALA 141 CO 0.01 0.63 -0.02 0.00 0.00 0.00 0.00 179.25 179.86 1c50 h PHE 143 N 0.95 1.10 0.04 0.00 -1.00 -0.75 -1.46 116.94 115.83 1c50 h PHE 143 Ca 0.16 -0.06 -0.00 0.00 2.81 0.00 0.00 57.97 60.89 1c50 h PHE 143 Cb 0.59 -0.34 0.00 0.00 3.61 0.00 0.00 35.95 39.81 1c50 h PHE 143 CO 0.04 0.81 -0.02 -0.07 -1.61 0.00 0.00 178.31 177.46 1c50 h LEU 144 N 1.09 -0.05 -0.87 1.54 4.07 -1.15 0.12 115.31 120.06 1c50 h LEU 144 Ca 0.26 -0.00 0.05 0.00 0.08 0.00 0.00 57.88 58.27 1c50 h LEU 144 Cb 0.14 0.01 -0.06 0.00 1.08 0.00 0.00 40.66 41.83 1c50 h LEU 144 CO -0.03 -0.03 0.55 -0.78 -1.08 0.00 0.00 178.44 177.07 1c50 h ASP 145 N -0.06 0.89 -0.29 -0.43 1.82 -1.20 -2.09 116.42 115.06 1c50 h ASP 145 Ca -0.01 0.01 -0.14 0.00 -0.39 0.00 0.00 57.03 56.50 1c50 h ASP 145 Cb 0.05 -0.18 -0.00 0.00 0.68 0.00 0.00 39.33 39.87 1c50 h ASP 145 CO 0.01 0.59 -0.36 0.28 -1.61 0.00 0.00 179.24 178.14 1c50 h SER 146 N 1.03 0.81 0.16 2.28 0.02 -0.92 -1.76 113.55 115.19 1c50 h SER 146 Ca 0.37 -0.50 -0.03 0.00 -0.84 0.00 0.00 61.79 60.79 1c50 h SER 146 Cb 0.11 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.41 1c50 h SER 146 CO -0.15 1.15 -0.14 0.24 -1.14 0.00 0.00 176.83 176.78 1c50 h MET 147 N 0.50 0.00 0.06 3.45 2.86 -0.42 0.81 114.93 122.18 1c50 h MET 147 Ca 0.04 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.56 1c50 h MET 147 Cb 0.95 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.62 1c50 h MET 147 CO 0.09 0.14 -0.48 0.00 1.06 0.00 0.00 176.91 177.72 1c50 h ALA 148 N 1.86 -0.02 0.00 6.32 0.00 -1.30 -0.06 119.26 126.06 1c50 h ALA 148 Ca -0.00 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 1c50 h ALA 148 Cb 0.26 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1c50 h ALA 148 CO 0.02 0.22 -0.04 1.15 0.00 0.00 0.00 179.25 180.61 1c50 h THR 149 N -0.50 0.96 -0.52 0.00 2.02 -0.98 -0.78 112.91 113.11 1c50 h THR 149 Ca -0.08 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 66.98 1c50 h THR 149 Cb 1.31 1.07 0.00 0.00 -1.74 0.00 0.00 68.15 68.79 1c50 h THR 149 CO 0.09 0.04 0.00 0.18 0.37 0.00 0.00 175.52 176.20 1c50 n LEU 150 N -4.40 4.25 -3.36 2.58 4.77 0.25 -4.70 117.00 116.39 1c50 n LEU 150 Ca -0.03 -2.15 -0.24 0.00 -0.03 0.00 0.00 56.01 53.56 1c50 n LEU 150 Cb 0.12 -0.56 0.03 0.00 -2.33 0.00 0.00 43.42 40.68 1c50 n LEU 150 CO 0.34 0.66 0.05 0.61 -1.33 0.00 0.00 177.39 177.71 1c50 n GLY 151 N 0.88 -0.51 3.85 -0.72 0.00 -0.30 -1.17 105.19 107.22 1c50 n GLY 151 Ca 0.22 0.15 -0.37 0.00 0.00 0.00 0.00 46.02 46.02 1c50 n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1c50 s LEU 152 N -6.84 4.44 -1.27 0.99 1.43 -0.04 -4.68 118.68 112.70 1c50 s LEU 152 Ca 0.44 0.85 -0.18 0.00 -1.03 0.00 0.00 54.13 54.20 1c50 s LEU 152 Cb -0.21 -2.58 0.07 0.00 0.03 0.00 0.00 46.19 43.50 1c50 s LEU 152 CO 0.54 0.31 1.69 0.00 0.23 0.00 0.00 176.35 179.12 1c50 s ALA 153 N -1.14 3.31 0.15 4.21 0.00 -1.26 -4.65 121.76 122.38 1c50 s ALA 153 Ca 0.24 -2.89 0.10 0.00 0.00 0.00 0.00 51.96 49.41 1c50 s ALA 153 Cb -0.15 -4.61 -0.04 0.00 0.00 0.00 0.00 23.12 18.32 1c50 s ALA 153 CO 0.13 -3.30 -0.18 0.00 0.00 0.00 0.00 175.76 172.41 1c50 s ALA 154 N 4.13 2.68 -0.02 0.00 0.00 -1.26 -1.23 121.76 126.05 1c50 s ALA 154 Ca 0.53 -1.47 0.02 0.00 0.00 0.00 0.00 51.96 51.03 1c50 s ALA 154 Cb 0.03 -0.56 0.01 0.00 0.00 0.00 0.00 23.12 22.60 1c50 s ALA 154 CO 0.06 0.52 -0.05 0.71 0.00 0.00 0.00 175.76 176.99 1c50 s TYR 155 N -1.40 0.64 -0.15 0.00 1.51 -0.32 -3.84 117.35 113.78 1c50 s TYR 155 Ca 0.20 -0.15 -0.12 0.00 -1.01 0.00 0.00 57.07 55.99 1c50 s TYR 155 Cb -0.09 -0.51 -0.05 0.00 -0.11 0.00 0.00 41.96 41.20 1c50 s TYR 155 CO 0.11 -0.10 0.24 0.20 -1.11 0.00 0.00 175.55 174.89 1c50 s GLY 156 N 0.40 2.18 -0.09 0.71 0.00 -0.70 -1.23 107.32 108.58 1c50 s GLY 156 Ca -0.05 -0.52 0.04 0.00 0.00 0.00 0.00 44.72 44.19 1c50 s GLY 156 CO -0.00 0.24 -0.22 -0.19 0.00 0.00 0.00 173.10 172.93 1c50 s TYR 157 N 0.14 2.32 0.00 1.90 2.02 -0.48 0.13 117.35 123.38 1c50 s TYR 157 Ca 0.15 -0.92 0.00 0.00 -0.37 0.00 0.00 57.07 55.93 1c50 s TYR 157 Cb -0.13 -1.57 0.00 0.00 -0.40 0.00 0.00 41.96 39.87 1c50 s TYR 157 CO 0.03 -0.37 0.00 0.41 -1.57 0.00 0.00 175.55 174.05 1c50 n GLY 158 N 3.53 3.02 3.48 0.71 0.00 -0.77 -2.30 105.19 112.86 1c50 n GLY 158 Ca -0.20 -0.69 -0.31 0.00 0.00 0.00 0.00 46.02 44.82 1c50 n GLY 158 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1c50 s ILE 159 N -2.54 2.94 -0.72 -0.61 1.01 -1.26 -1.26 121.20 118.75 1c50 s ILE 159 Ca 0.00 -1.08 -0.14 0.00 0.00 0.00 0.00 60.65 59.42 1c50 s ILE 159 Cb 0.00 -2.24 0.19 0.00 0.01 0.00 0.00 42.46 40.42 1c50 s ILE 159 CO 0.00 0.37 0.67 -0.60 0.00 0.00 0.00 174.94 175.37 1c50 s ARG 160 N -1.38 3.37 0.19 2.79 3.52 0.11 -4.73 118.95 122.82 1c50 s ARG 160 Ca 0.15 -2.21 -0.30 0.00 -0.13 0.00 0.00 55.73 53.24 1c50 s ARG 160 Cb -0.11 -4.37 -0.08 0.00 -1.56 0.00 0.00 34.95 28.84 1c50 s ARG 160 CO 0.05 -1.30 1.01 0.71 -0.81 0.00 0.00 175.30 174.96 1c50 s TYR 161 N 0.64 3.78 -0.62 5.12 2.02 -1.25 -4.77 117.35 122.27 1c50 s TYR 161 Ca 0.13 1.77 0.25 0.00 -0.37 0.00 0.00 57.07 58.85 1c50 s TYR 161 Cb -0.17 -3.12 0.75 0.00 -0.40 0.00 0.00 41.96 39.01 1c50 s TYR 161 CO -0.05 -0.03 1.74 1.05 -1.57 0.00 0.00 175.55 176.69 1c50 h GLU 162 N 4.80 0.00 -4.24 -0.62 4.11 -1.31 -3.41 114.58 113.91 1c50 h GLU 162 Ca -0.44 0.00 -0.57 0.00 0.07 0.00 0.00 59.36 58.42 1c50 h GLU 162 Cb 1.21 0.00 -0.38 0.00 0.50 0.00 0.00 28.75 30.08 1c50 h GLU 162 CO 0.70 0.00 -0.79 -0.06 0.07 0.00 0.00 179.01 178.93 1c50 s PHE 163 N -3.16 1.88 0.00 2.06 0.08 -0.73 -4.12 117.98 113.99 1c50 s PHE 163 Ca 0.09 -1.22 0.00 0.00 0.12 0.00 0.00 56.93 55.92 1c50 s PHE 163 Cb 0.10 -1.39 0.00 0.00 -0.57 0.00 0.00 43.02 41.16 1c50 s PHE 163 CO 0.59 -0.65 0.00 0.41 -0.10 0.00 0.00 175.22 175.47 1c50 n GLY 164 N 4.83 1.37 3.74 4.36 0.00 -1.22 -1.96 105.19 116.30 1c50 n GLY 164 Ca -0.12 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 1c50 n GLY 164 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1c50 s ILE 165 N 1.38 2.25 0.65 -0.61 1.10 0.00 -4.51 121.20 121.47 1c50 s ILE 165 Ca 0.00 0.20 -0.18 0.00 -0.51 0.00 0.00 60.65 60.16 1c50 s ILE 165 Cb 0.00 -3.13 -0.02 0.00 0.15 0.00 0.00 42.46 39.46 1c50 s ILE 165 CO 0.00 0.03 1.07 2.22 -2.11 0.00 0.00 174.94 176.14 1c50 n PHE 166 N 2.81 1.13 -2.88 3.50 1.16 -1.26 -4.57 117.46 117.34 1c50 n PHE 166 Ca 0.10 0.42 -0.41 0.00 -1.87 0.00 0.00 57.45 55.69 1c50 n PHE 166 Cb 0.38 -2.16 -0.04 0.00 -1.61 0.00 0.00 39.48 36.04 1c50 n PHE 166 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 1c50 s ASN 167 N -1.40 7.11 -0.07 5.98 0.01 -0.29 -4.89 114.94 121.39 1c50 s ASN 167 Ca 0.78 1.34 -0.20 0.00 -0.71 0.00 0.00 52.86 54.07 1c50 s ASN 167 Cb -0.39 -2.48 -0.04 0.00 0.41 0.00 0.00 41.25 38.75 1c50 s ASN 167 CO 0.45 -0.25 0.57 -1.58 -1.51 0.00 0.00 177.10 174.77 1c50 s GLN 168 N 1.30 4.34 0.02 -0.60 0.74 -1.26 -2.04 119.66 122.16 1c50 s GLN 168 Ca 0.43 0.64 0.05 0.00 0.05 0.00 0.00 55.36 56.53 1c50 s GLN 168 Cb -0.18 -3.40 -0.02 0.00 1.10 0.00 0.00 33.01 30.50 1c50 s GLN 168 CO 0.19 0.21 -0.16 0.15 -0.55 0.00 0.00 175.29 175.14 1c50 s LYS 169 N 0.38 1.18 -0.28 1.67 1.02 -0.35 -3.79 119.74 119.57 1c50 s LYS 169 Ca 0.30 -0.70 -0.08 0.00 0.02 0.00 0.00 55.97 55.51 1c50 s LYS 169 Cb -0.17 -1.19 -0.02 0.00 -0.52 0.00 0.00 37.83 35.93 1c50 s LYS 169 CO 0.14 0.31 0.11 0.42 -0.92 0.00 0.00 175.35 175.41 1c50 s ILE 170 N -0.60 4.46 -0.24 2.17 -1.09 -1.26 0.12 121.20 124.75 1c50 s ILE 170 Ca 0.05 -0.26 0.01 0.00 -2.23 0.00 0.00 60.65 58.22 1c50 s ILE 170 Cb -0.07 -3.17 0.06 0.00 -1.58 0.00 0.00 42.46 37.70 1c50 s ILE 170 CO 0.00 0.22 -0.07 0.00 -1.23 0.00 0.00 174.94 173.87 1c50 n GLY 172 N 4.60 0.17 2.31 0.00 0.00 -1.26 -1.45 105.19 109.57 1c50 n GLY 172 Ca -0.13 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1c50 n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c50 n GLY 173 N -1.04 0.86 3.81 -0.02 0.00 -1.26 -5.03 105.19 102.50 1c50 n GLY 173 Ca -0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 1c50 n GLY 173 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1c50 s TRP 174 N -3.36 3.27 0.16 1.61 0.52 -0.53 -3.79 118.94 116.82 1c50 s TRP 174 Ca 0.00 0.12 -0.30 0.00 0.02 0.00 0.00 56.10 55.94 1c50 s TRP 174 Cb 0.00 -1.66 -0.07 0.00 -1.15 0.00 0.00 33.47 30.59 1c50 s TRP 174 CO 0.00 0.54 0.96 -1.14 0.02 0.00 0.00 176.95 177.33 1c50 s GLN 175 N -2.38 4.76 -0.03 4.98 0.74 -1.26 0.73 119.66 127.19 1c50 s GLN 175 Ca 0.30 1.47 0.06 0.00 0.05 0.00 0.00 55.36 57.25 1c50 s GLN 175 Cb -0.12 -3.34 -0.01 0.00 1.10 0.00 0.00 33.01 30.64 1c50 s GLN 175 CO 0.23 0.33 -0.22 -1.64 -0.55 0.00 0.00 175.29 173.44 1c50 s MET 176 N -0.48 2.03 -0.14 1.67 -1.94 0.31 -4.89 119.30 115.86 1c50 s MET 176 Ca 0.45 -0.80 -0.06 0.00 -1.71 0.00 0.00 55.69 53.57 1c50 s MET 176 Cb -0.25 -1.84 -0.04 0.00 2.01 0.00 0.00 34.83 34.71 1c50 s MET 176 CO 0.31 0.41 0.06 -1.21 -0.01 0.00 0.00 175.02 174.58 1c50 s GLU 177 N -0.32 3.58 -0.02 2.03 8.01 -1.26 -1.22 118.70 129.50 1c50 s GLU 177 Ca 0.03 -0.31 0.01 0.00 0.01 0.00 0.00 54.97 54.71 1c50 s GLU 177 Cb -0.11 -3.09 0.01 0.00 -4.31 0.00 0.00 34.13 26.64 1c50 s GLU 177 CO 0.01 0.51 -0.02 -2.00 0.01 0.00 0.00 175.26 173.77 1c50 s GLU 178 N -0.31 0.37 0.12 1.61 2.12 -0.86 -4.99 118.70 116.76 1c50 s GLU 178 Ca 0.09 -0.03 -0.34 0.00 0.36 0.00 0.00 54.97 55.04 1c50 s GLU 178 Cb -0.12 -0.45 -0.17 0.00 0.26 0.00 0.00 34.13 33.65 1c50 s GLU 178 CO 0.02 -0.04 1.00 0.00 -0.54 0.00 0.00 175.26 175.70 1c50 n ALA 179 N 3.65 -2.21 -3.15 6.30 0.00 -1.26 -1.14 120.51 122.69 1c50 n ALA 179 Ca -0.21 0.51 -0.45 0.00 0.00 0.00 0.00 53.44 53.29 1c50 n ALA 179 Cb 0.54 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1c50 n ALA 179 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1c50 n ASP 180 N 1.86 5.39 -3.63 0.00 2.03 -1.26 -4.69 116.55 116.25 1c50 n ASP 180 Ca 0.17 -3.01 -0.41 0.00 0.52 0.00 0.00 54.79 52.06 1c50 n ASP 180 Cb 0.19 -1.47 -0.01 0.00 -0.72 0.00 0.00 41.12 39.11 1c50 n ASP 180 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1c50 n ASP 181 N 4.03 5.25 0.22 1.67 -0.08 -1.26 -3.43 116.55 122.95 1c50 n ASP 181 Ca 0.30 -2.80 0.15 0.00 -1.51 0.00 0.00 54.79 50.94 1c50 n ASP 181 Cb 0.41 -1.62 0.67 0.00 2.34 0.00 0.00 41.12 42.91 1c50 n ASP 181 CO 0.00 0.00 0.00 4.11 0.12 0.00 0.00 177.20 181.43 1c50 h TRP 182 N 5.71 0.00 -0.00 -0.67 5.08 -1.92 -2.81 115.95 121.34 1c50 h TRP 182 Ca 0.64 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.61 1c50 h TRP 182 Cb 0.54 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.70 1c50 h TRP 182 CO 1.56 0.00 -0.49 1.28 -1.28 0.00 0.00 178.44 179.51 1c50 n LEU 183 N -2.69 0.83 -0.23 0.11 4.77 -1.26 -4.59 117.00 113.95 1c50 n LEU 183 Ca 0.01 -0.20 0.01 0.00 -0.03 0.00 0.00 56.01 55.80 1c50 n LEU 183 Cb 0.22 -0.16 0.06 0.00 -2.33 0.00 0.00 43.42 41.21 1c50 n LEU 183 CO 0.22 0.18 0.38 -1.14 -1.33 0.00 0.00 177.39 175.70 1c50 n ARG 184 N -1.14 -0.10 -0.05 3.23 0.63 -1.06 -0.09 116.66 118.07 1c50 n ARG 184 Ca 0.08 0.95 0.12 0.00 -0.92 0.00 0.00 57.85 58.08 1c50 n ARG 184 Cb 0.35 -1.42 0.15 0.00 0.45 0.00 0.00 32.46 31.99 1c50 n ARG 184 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1c50 n TYR 185 N -4.95 0.14 0.00 -0.14 4.02 -1.26 -5.06 117.16 109.90 1c50 n TYR 185 Ca 0.08 -0.07 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 1c50 n TYR 185 Cb 0.28 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.60 1c50 n TYR 185 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1c50 n GLY 186 N 1.39 2.58 3.00 2.72 0.00 0.87 -5.00 105.19 110.75 1c50 n GLY 186 Ca 0.16 -1.73 -0.31 0.00 0.00 0.00 0.00 46.02 44.14 1c50 n GLY 186 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1c50 s ASN 187 N 0.00 4.67 0.22 1.61 2.47 -1.26 -4.89 114.94 117.76 1c50 s ASN 187 Ca 0.00 -2.05 0.21 0.00 0.42 0.00 0.00 52.86 51.44 1c50 s ASN 187 Cb 0.00 -1.55 0.92 0.00 -1.45 0.00 0.00 41.25 39.17 1c50 s ASN 187 CO 0.00 -0.37 1.64 -0.81 -3.72 0.00 0.00 177.10 173.85 1c50 n PRO 188 N 4.32 0.15 0.00 0.43 -0.04 -1.26 -3.20 135.00 135.40 1c50 n PRO 188 Ca 0.02 0.43 0.12 0.00 -0.04 0.00 0.00 63.50 64.03 1c50 n PRO 188 Cb 0.42 -1.82 0.24 0.00 -0.04 0.00 0.00 33.50 32.30 1c50 n PRO 188 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1c50 n TRP 189 N -2.11 0.00 -3.90 0.54 7.02 -1.26 -4.88 117.44 112.84 1c50 n TRP 189 Ca 0.02 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.16 1c50 n TRP 189 Cb 0.18 -0.18 -0.05 0.00 -2.42 0.00 0.00 31.31 28.84 1c50 n TRP 189 CO 0.00 0.00 0.00 -1.83 -2.02 0.00 0.00 177.69 173.84 1c50 s GLU 190 N -2.84 3.44 -0.27 -0.99 -1.05 -1.19 -4.18 118.70 111.62 1c50 s GLU 190 Ca 0.15 -0.32 0.02 0.00 -0.15 0.00 0.00 54.97 54.67 1c50 s GLU 190 Cb 0.18 -3.10 0.07 0.00 -0.44 0.00 0.00 34.13 30.84 1c50 s GLU 190 CO 0.66 0.67 -0.04 0.21 0.95 0.00 0.00 175.26 177.71 1c50 s LYS 191 N -1.94 1.77 0.28 -4.83 2.47 0.58 -4.93 119.74 113.13 1c50 s LYS 191 Ca 0.27 -1.32 -0.30 0.00 -1.56 0.00 0.00 55.97 53.07 1c50 s LYS 191 Cb -0.13 -2.80 -0.10 0.00 -1.46 0.00 0.00 37.83 33.35 1c50 s LYS 191 CO 0.19 -0.68 1.41 0.00 0.16 0.00 0.00 175.35 176.42 1c50 s ALA 192 N 1.19 3.59 -0.55 3.13 0.00 -1.26 -1.21 121.76 126.65 1c50 s ALA 192 Ca -0.03 1.33 0.06 0.00 0.00 0.00 0.00 51.96 53.32 1c50 s ALA 192 Cb -0.19 -3.54 0.33 0.00 0.00 0.00 0.00 23.12 19.72 1c50 s ALA 192 CO -0.07 -0.74 0.89 0.54 0.00 0.00 0.00 175.76 176.38 1c50 n ARG 193 N 1.86 2.81 -0.17 0.00 5.12 -0.21 -4.92 116.66 121.16 1c50 n ARG 193 Ca 0.05 -4.61 0.29 0.00 -1.93 0.00 0.00 57.85 51.65 1c50 n ARG 193 Cb 0.41 -2.15 0.70 0.00 -1.16 0.00 0.00 32.46 30.26 1c50 n ARG 193 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1c50 h PRO 194 N 3.12 0.00 0.00 5.56 0.13 -1.93 0.73 132.00 139.61 1c50 h PRO 194 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1c50 h PRO 194 Cb 0.59 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.72 1c50 h PRO 194 CO 0.77 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.69 1c50 n GLU 195 N -3.88 0.26 -0.31 0.86 -0.00 -1.26 -2.95 120.64 113.36 1c50 n GLU 195 Ca 0.19 0.12 0.08 0.00 -0.00 0.00 0.00 57.16 57.55 1c50 n GLU 195 Cb 1.09 -1.50 0.19 0.00 -0.00 0.00 0.00 31.44 31.22 1c50 n GLU 195 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1c50 n PHE 196 N -1.26 0.35 -1.83 -1.84 3.72 0.25 -5.05 117.46 111.80 1c50 n PHE 196 Ca 0.08 -1.09 -0.41 0.00 -0.05 0.00 0.00 57.45 55.98 1c50 n PHE 196 Cb 0.12 -0.24 -0.01 0.00 -0.94 0.00 0.00 39.48 38.41 1c50 n PHE 196 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1c50 s THR 197 N -2.95 2.18 0.12 4.37 2.01 -1.15 -4.66 115.64 115.55 1c50 s THR 197 Ca 0.37 0.15 0.08 0.00 0.31 0.00 0.00 61.69 62.60 1c50 s THR 197 Cb 0.32 -3.10 -0.04 0.00 0.01 0.00 0.00 72.50 69.70 1c50 s THR 197 CO 0.03 0.03 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.02 1c50 s LEU 198 N -0.75 2.33 -0.07 4.42 1.02 0.09 -4.92 118.68 120.80 1c50 s LEU 198 Ca 0.61 -0.72 -0.16 0.00 0.02 0.00 0.00 54.13 53.88 1c50 s LEU 198 Cb -0.46 -0.89 -0.05 0.00 0.02 0.00 0.00 46.19 44.81 1c50 s LEU 198 CO 0.50 0.05 0.41 -2.16 0.02 0.00 0.00 176.35 175.16 1c50 s PRO 199 N -2.08 4.13 -0.04 1.29 0.04 -1.26 0.15 135.00 137.24 1c50 s PRO 199 Ca 0.08 0.37 0.06 0.00 0.04 0.00 0.00 61.00 61.55 1c50 s PRO 199 Cb -0.09 -3.34 -0.01 0.00 0.04 0.00 0.00 34.50 31.10 1c50 s PRO 199 CO 0.05 0.41 -0.22 0.08 0.04 0.00 0.00 177.00 177.36 1c50 s VAL 200 N -0.17 1.80 0.07 -0.36 1.01 0.35 -4.89 120.40 118.20 1c50 s VAL 200 Ca 0.23 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.29 1c50 s VAL 200 Cb -0.15 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 1c50 s VAL 200 CO 0.10 0.51 0.08 -1.00 0.00 0.00 0.00 175.10 174.80 1c50 s HIS 201 N -0.25 3.22 0.02 5.22 3.76 -1.26 -1.28 115.29 124.72 1c50 s HIS 201 Ca 0.01 0.10 0.00 0.00 -0.15 0.00 0.00 55.06 55.02 1c50 s HIS 201 Cb -0.11 -1.64 -0.02 0.00 1.11 0.00 0.00 32.58 31.91 1c50 s HIS 201 CO 0.02 0.53 -0.03 -0.06 -0.85 0.00 0.00 174.74 174.34 1c50 s PHE 202 N -1.37 0.28 0.00 1.40 0.08 -0.63 -4.95 117.98 112.79 1c50 s PHE 202 Ca 0.29 -0.55 0.00 0.00 0.12 0.00 0.00 56.93 56.79 1c50 s PHE 202 Cb -0.12 -0.20 0.00 0.00 -0.57 0.00 0.00 43.02 42.13 1c50 s PHE 202 CO 0.21 -0.19 0.00 0.66 -0.10 0.00 0.00 175.22 175.80 1c50 n TYR 203 N 1.55 0.00 -4.30 0.36 4.01 0.17 -0.88 117.16 118.07 1c50 n TYR 203 Ca -0.24 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.50 1c50 n TYR 203 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.58 1c50 n TYR 203 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1c50 n GLY 204 N 0.00 -0.54 3.58 2.72 0.00 -1.20 -4.56 105.19 105.18 1c50 n GLY 204 Ca 0.00 -1.11 -0.09 0.00 0.00 0.00 0.00 46.02 44.82 1c50 n GLY 204 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1c50 s ARG 205 N 0.00 1.46 -0.18 1.61 1.70 0.14 -4.90 118.95 118.77 1c50 s ARG 205 Ca 0.00 -0.91 -0.08 0.00 -0.47 0.00 0.00 55.73 54.27 1c50 s ARG 205 Cb 0.00 0.53 -0.04 0.00 -0.57 0.00 0.00 34.95 34.87 1c50 s ARG 205 CO 0.00 -0.63 0.07 0.08 -1.08 0.00 0.00 175.30 173.75 1c50 s VAL 206 N -3.89 4.91 -0.17 4.99 1.01 -1.26 0.32 120.40 126.30 1c50 s VAL 206 Ca 0.11 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.08 1c50 s VAL 206 Cb -0.02 -3.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.14 1c50 s VAL 206 CO -0.00 0.46 -0.10 -1.61 0.00 0.00 0.00 175.10 173.85 1c50 s GLU 207 N 0.35 3.37 -0.50 2.72 2.02 0.60 -4.93 118.70 122.34 1c50 s GLU 207 Ca 0.04 -0.66 -0.16 0.00 0.02 0.00 0.00 54.97 54.21 1c50 s GLU 207 Cb -0.12 -2.78 0.09 0.00 0.10 0.00 0.00 34.13 31.42 1c50 s GLU 207 CO -0.00 0.03 0.44 -1.01 0.02 0.00 0.00 175.26 174.73 1c50 s HIS 208 N 0.85 3.24 -0.05 1.61 3.76 -1.26 0.44 115.29 123.88 1c50 s HIS 208 Ca -0.03 -1.05 0.05 0.00 -0.15 0.00 0.00 55.06 53.87 1c50 s HIS 208 Cb -0.15 -3.40 -0.00 0.00 1.11 0.00 0.00 32.58 30.13 1c50 s HIS 208 CO 0.01 -0.88 -0.18 0.95 -0.85 0.00 0.00 174.74 173.78 1c50 s THR 209 N 1.64 1.54 0.00 1.30 -4.23 -0.61 -4.99 115.64 110.28 1c50 s THR 209 Ca 0.04 -0.78 0.00 0.00 -1.18 0.00 0.00 61.69 59.77 1c50 s THR 209 Cb -0.26 -1.32 0.00 0.00 1.34 0.00 0.00 72.50 72.26 1c50 s THR 209 CO 0.05 0.44 0.00 -1.20 -0.54 0.00 0.00 174.62 173.37 1c50 n SER 210 N 3.14 0.00 -3.62 3.99 7.64 -1.26 -1.38 113.62 122.13 1c50 n SER 210 Ca -0.18 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.30 1c50 n SER 210 Cb 0.53 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.74 1c50 n SER 210 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1c50 n GLN 211 N 0.00 5.04 0.00 1.43 -0.06 -1.26 -5.01 117.38 117.53 1c50 n GLN 211 Ca 0.00 -4.67 0.00 0.00 -2.00 0.00 0.00 57.00 50.33 1c50 n GLN 211 Cb 0.00 -2.45 0.00 0.00 -4.06 0.00 0.00 30.24 23.73 1c50 n GLN 211 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1c50 n GLY 212 N 0.14 2.28 3.90 1.69 0.00 -0.48 -5.07 105.19 107.66 1c50 n GLY 212 Ca 0.42 -2.06 -0.28 0.00 0.00 0.00 0.00 46.02 44.10 1c50 n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c50 s ALA 213 N -2.22 3.32 -0.06 4.61 0.00 -1.26 -1.58 121.76 124.57 1c50 s ALA 213 Ca 0.00 -0.51 -0.03 0.00 0.00 0.00 0.00 51.96 51.42 1c50 s ALA 213 Cb 0.00 -2.67 0.04 0.00 0.00 0.00 0.00 23.12 20.49 1c50 s ALA 213 CO 0.00 -0.56 0.12 0.15 0.00 0.00 0.00 175.76 175.46 1c50 s LYS 214 N -4.90 0.01 -0.37 0.00 1.02 0.17 -4.90 119.74 110.78 1c50 s LYS 214 Ca 0.51 0.43 -0.27 0.00 0.02 0.00 0.00 55.97 56.66 1c50 s LYS 214 Cb -0.10 -0.30 0.02 0.00 -0.52 0.00 0.00 37.83 36.92 1c50 s LYS 214 CO 0.46 -0.26 0.97 -0.46 -0.92 0.00 0.00 175.35 175.14 1c50 s TRP 215 N 1.85 3.07 0.30 3.18 -0.00 -1.26 -0.29 118.94 125.80 1c50 s TRP 215 Ca -0.01 0.84 0.07 0.00 -0.00 0.00 0.00 56.10 57.00 1c50 s TRP 215 Cb -0.12 -3.70 -0.06 0.00 -0.00 0.00 0.00 33.47 29.58 1c50 s TRP 215 CO -0.05 -0.84 -0.05 0.54 -0.00 0.00 0.00 176.95 176.55 1c50 s VAL 216 N 3.57 1.72 -1.42 5.86 0.11 0.15 -4.82 120.40 125.56 1c50 s VAL 216 Ca 0.40 -2.12 -0.06 0.00 -2.93 0.00 0.00 61.98 57.27 1c50 s VAL 216 Cb -0.12 -2.55 0.04 0.00 -1.53 0.00 0.00 36.38 32.22 1c50 s VAL 216 CO 0.19 -0.23 0.78 0.47 -3.33 0.00 0.00 175.10 172.98 1c50 n ASP 217 N -0.65 -2.58 -4.92 3.54 8.00 -1.26 0.26 116.55 118.93 1c50 n ASP 217 Ca -0.05 -0.83 -0.26 0.00 0.71 0.00 0.00 54.79 54.36 1c50 n ASP 217 Cb 0.64 -3.82 0.01 0.00 -0.02 0.00 0.00 41.12 37.93 1c50 n ASP 217 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1c50 s THR 218 N -3.55 4.31 -0.17 -3.53 -4.23 -1.26 -3.27 115.64 103.94 1c50 s THR 218 Ca 0.29 -0.04 -0.10 0.00 -1.18 0.00 0.00 61.69 60.67 1c50 s THR 218 Cb -0.15 -3.65 -0.05 0.00 1.34 0.00 0.00 72.50 70.00 1c50 s THR 218 CO 0.83 -0.60 0.15 -1.58 -0.54 0.00 0.00 174.62 172.88 1c50 s GLN 219 N -4.77 4.00 -0.13 3.99 0.74 -0.06 -4.90 119.66 118.53 1c50 s GLN 219 Ca 0.49 -0.16 -0.06 0.00 0.05 0.00 0.00 55.36 55.69 1c50 s GLN 219 Cb -0.10 -3.36 -0.04 0.00 1.10 0.00 0.00 33.01 30.61 1c50 s GLN 219 CO 0.43 0.42 0.08 0.08 -0.55 0.00 0.00 175.29 175.75 1c50 s VAL 220 N -0.00 4.98 0.01 1.34 1.01 -1.26 -1.60 120.40 124.88 1c50 s VAL 220 Ca 0.11 0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.18 1c50 s VAL 220 Cb -0.12 -3.18 -0.02 0.00 0.00 0.00 0.00 36.38 33.07 1c50 s VAL 220 CO 0.00 0.56 -0.21 -0.69 0.00 0.00 0.00 175.10 174.76 1c50 s VAL 221 N -0.54 1.69 0.06 2.92 1.01 -0.40 -4.54 120.40 120.59 1c50 s VAL 221 Ca 0.11 -1.03 -0.07 0.00 0.00 0.00 0.00 61.98 60.99 1c50 s VAL 221 Cb -0.12 -1.43 -0.05 0.00 0.00 0.00 0.00 36.38 34.78 1c50 s VAL 221 CO 0.02 0.37 0.33 -0.76 0.00 0.00 0.00 175.10 175.06 1c50 s LEU 222 N -0.77 4.35 -0.32 3.92 1.43 0.68 -0.49 118.68 127.47 1c50 s LEU 222 Ca 0.08 0.63 -0.02 0.00 -1.03 0.00 0.00 54.13 53.79 1c50 s LEU 222 Cb -0.08 -2.90 0.06 0.00 0.03 0.00 0.00 46.19 43.30 1c50 s LEU 222 CO 0.00 0.19 0.05 0.00 0.23 0.00 0.00 176.35 176.82 1c50 s ALA 223 N -1.40 2.90 -0.21 4.21 0.00 0.40 -0.59 121.76 127.07 1c50 s ALA 223 Ca 0.32 -1.91 -0.10 0.00 0.00 0.00 0.00 51.96 50.27 1c50 s ALA 223 Cb -0.13 -2.06 -0.05 0.00 0.00 0.00 0.00 23.12 20.88 1c50 s ALA 223 CO 0.19 -1.38 0.15 1.41 0.00 0.00 0.00 175.76 176.13 1c50 s MET 224 N 1.24 4.15 0.10 0.00 1.75 -0.01 -0.73 119.30 125.80 1c50 s MET 224 Ca -0.02 -0.22 -0.12 0.00 -1.25 0.00 0.00 55.69 54.07 1c50 s MET 224 Cb -0.20 -3.46 -0.06 0.00 2.84 0.00 0.00 34.83 33.94 1c50 s MET 224 CO -0.01 0.21 0.46 -1.25 -0.65 0.00 0.00 175.02 173.78 1c50 s PRO 225 N 0.61 3.87 -0.13 4.11 0.04 -1.26 -0.19 135.00 142.05 1c50 s PRO 225 Ca 0.08 0.33 0.01 0.00 0.04 0.00 0.00 61.00 61.47 1c50 s PRO 225 Cb -0.12 -2.99 0.02 0.00 0.04 0.00 0.00 34.50 31.44 1c50 s PRO 225 CO 0.00 0.54 -0.15 0.71 0.04 0.00 0.00 177.00 178.15 1c50 s TYR 226 N -1.39 2.10 -0.14 0.56 1.51 -0.13 -1.04 117.35 118.82 1c50 s TYR 226 Ca 0.34 -1.10 -0.07 0.00 -1.01 0.00 0.00 57.07 55.24 1c50 s TYR 226 Cb -0.15 -1.53 -0.04 0.00 -0.11 0.00 0.00 41.96 40.13 1c50 s TYR 226 CO 0.18 -0.58 0.10 -0.51 -1.11 0.00 0.00 175.55 173.63 1c50 s ASP 227 N 1.25 6.04 -0.12 2.29 1.01 -0.35 -1.42 116.67 125.36 1c50 s ASP 227 Ca -0.00 0.31 0.02 0.00 0.71 0.00 0.00 52.55 53.59 1c50 s ASP 227 Cb -0.14 -1.95 0.01 0.00 1.01 0.00 0.00 42.92 41.85 1c50 s ASP 227 CO -0.06 0.33 -0.19 -0.89 0.21 0.00 0.00 175.17 174.56 1c50 s THR 228 N -0.57 1.83 0.37 -1.27 2.01 -0.27 -0.31 115.64 117.44 1c50 s THR 228 Ca 0.12 -0.85 -0.27 0.00 0.31 0.00 0.00 61.69 61.00 1c50 s THR 228 Cb -0.12 -1.63 -0.09 0.00 0.01 0.00 0.00 72.50 70.67 1c50 s THR 228 CO 0.02 0.51 1.28 -2.16 -0.69 0.00 0.00 174.62 173.58 1c50 s PRO 229 N 0.84 4.15 -0.41 4.92 0.04 -1.26 -1.62 135.00 141.67 1c50 s PRO 229 Ca -0.08 2.13 0.03 0.00 0.04 0.00 0.00 61.00 63.12 1c50 s PRO 229 Cb -0.15 -2.88 0.12 0.00 0.04 0.00 0.00 34.50 31.62 1c50 s PRO 229 CO -0.01 -0.33 0.16 0.08 0.04 0.00 0.00 177.00 176.94 1c50 s VAL 230 N -1.23 1.96 0.14 -0.36 1.01 0.15 -4.90 120.40 117.17 1c50 s VAL 230 Ca 0.53 -2.54 -0.30 0.00 0.00 0.00 0.00 61.98 59.68 1c50 s VAL 230 Cb -0.38 -2.40 -0.07 0.00 0.00 0.00 0.00 36.38 33.53 1c50 s VAL 230 CO 0.49 -0.74 1.10 -2.16 0.00 0.00 0.00 175.10 173.79 1c50 s PRO 231 N 0.54 4.58 0.71 2.72 0.04 -1.26 0.01 135.00 142.32 1c50 s PRO 231 Ca 0.14 1.68 -0.11 0.00 0.04 0.00 0.00 61.00 62.75 1c50 s PRO 231 Cb -0.22 -3.31 0.01 0.00 0.04 0.00 0.00 34.50 31.02 1c50 s PRO 231 CO -0.07 0.03 1.08 0.20 0.04 0.00 0.00 177.00 178.28 1c50 s GLY 232 N 0.16 1.64 -0.41 0.56 0.00 0.15 -4.77 107.32 104.65 1c50 s GLY 232 Ca 0.51 -0.18 -0.29 0.00 0.00 0.00 0.00 44.72 44.76 1c50 s GLY 232 CO 0.33 0.17 1.40 -0.47 0.00 0.00 0.00 173.10 174.52 1c50 s TYR 233 N -3.22 2.42 -0.79 1.90 5.04 -1.26 -4.07 117.35 117.38 1c50 s TYR 233 Ca 0.58 0.68 -0.06 0.00 -2.44 0.00 0.00 57.07 55.82 1c50 s TYR 233 Cb -0.12 -4.31 0.06 0.00 0.35 0.00 0.00 41.96 37.93 1c50 s TYR 233 CO 0.53 -1.94 0.22 0.54 -1.34 0.00 0.00 175.55 173.56 1c50 n ARG 234 N 8.06 -2.56 0.00 4.97 3.00 -0.36 -4.79 116.66 124.98 1c50 n ARG 234 Ca 0.16 0.22 0.00 0.00 -0.01 0.00 0.00 57.85 58.22 1c50 n ARG 234 Cb 0.48 -4.80 0.00 0.00 0.00 0.00 0.00 32.46 28.14 1c50 n ARG 234 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1c50 n ASN 235 N -1.89 1.65 -1.51 0.55 2.04 -1.26 -4.93 115.26 109.90 1c50 n ASN 235 Ca -0.00 -1.80 -0.18 0.00 -0.44 0.00 0.00 54.58 52.15 1c50 n ASN 235 Cb 0.52 0.00 -0.07 0.00 -2.53 0.00 0.00 39.78 37.70 1c50 n ASN 235 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1c50 n ASN 236 N -0.40 -5.23 -4.80 0.53 3.02 -1.26 0.56 115.26 107.67 1c50 n ASN 236 Ca 0.00 0.39 -0.36 0.00 -0.03 0.00 0.00 54.58 54.58 1c50 n ASN 236 Cb 0.28 -4.34 -0.07 0.00 -0.61 0.00 0.00 39.78 35.03 1c50 n ASN 236 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1c50 s VAL 237 N -2.72 5.01 -0.22 2.41 1.01 -1.26 -4.65 120.40 119.98 1c50 s VAL 237 Ca 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.91 1c50 s VAL 237 Cb 0.00 -3.18 0.08 0.00 0.00 0.00 0.00 36.38 33.28 1c50 s VAL 237 CO 0.00 0.57 0.10 -0.69 0.00 0.00 0.00 175.10 175.08 1c50 s VAL 238 N -1.01 0.04 0.49 2.92 1.01 -1.26 0.34 120.40 122.93 1c50 s VAL 238 Ca 0.16 -0.47 -0.02 0.00 0.00 0.00 0.00 61.98 61.65 1c50 s VAL 238 Cb -0.12 -0.82 0.10 0.00 0.00 0.00 0.00 36.38 35.55 1c50 s VAL 238 CO 0.05 -0.44 0.67 0.59 0.00 0.00 0.00 175.10 175.97 1c50 n ASN 239 N 5.22 0.66 -4.14 3.32 3.02 0.10 -4.62 115.26 118.82 1c50 n ASN 239 Ca -0.07 -1.61 -0.26 0.00 -0.03 0.00 0.00 54.58 52.61 1c50 n ASN 239 Cb 0.46 -0.45 -0.16 0.00 -0.61 0.00 0.00 39.78 39.02 1c50 n ASN 239 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1c50 s THR 240 N -2.05 1.41 -0.29 3.41 2.01 -1.25 -0.67 115.64 118.21 1c50 s THR 240 Ca 0.42 -0.72 -0.05 0.00 0.31 0.00 0.00 61.69 61.65 1c50 s THR 240 Cb -0.02 -1.20 0.02 0.00 0.01 0.00 0.00 72.50 71.31 1c50 s THR 240 CO 0.28 0.41 0.05 -0.32 -0.69 0.00 0.00 174.62 174.35 1c50 s MET 241 N -0.06 2.94 -0.32 4.92 1.75 -0.64 -1.72 119.30 126.16 1c50 s MET 241 Ca -0.01 -0.95 -0.10 0.00 -1.25 0.00 0.00 55.69 53.38 1c50 s MET 241 Cb -0.10 -3.30 -0.00 0.00 2.84 0.00 0.00 34.83 34.27 1c50 s MET 241 CO 0.01 -0.48 0.17 0.50 -0.65 0.00 0.00 175.02 174.58 1c50 s ARG 242 N 1.44 3.28 -0.15 4.11 3.52 0.12 -1.11 118.95 130.16 1c50 s ARG 242 Ca 0.01 -0.76 -0.02 0.00 -0.13 0.00 0.00 55.73 54.83 1c50 s ARG 242 Cb -0.18 -3.60 -0.02 0.00 -1.56 0.00 0.00 34.95 29.59 1c50 s ARG 242 CO 0.01 -0.46 -0.08 -0.51 -0.81 0.00 0.00 175.30 173.45 1c50 s LEU 243 N 1.61 2.96 0.14 -0.88 1.02 -0.51 -1.85 118.68 121.18 1c50 s LEU 243 Ca 0.04 -0.24 -0.18 0.00 0.02 0.00 0.00 54.13 53.78 1c50 s LEU 243 Cb -0.17 -1.69 -0.07 0.00 0.02 0.00 0.00 46.19 44.27 1c50 s LEU 243 CO 0.07 0.16 0.60 0.26 0.02 0.00 0.00 176.35 177.46 1c50 s TRP 244 N 0.40 3.69 -0.03 0.29 0.52 -0.39 -0.95 118.94 122.47 1c50 s TRP 244 Ca -0.07 1.23 0.06 0.00 0.02 0.00 0.00 56.10 57.34 1c50 s TRP 244 Cb -0.15 -2.48 -0.01 0.00 -1.15 0.00 0.00 33.47 29.67 1c50 s TRP 244 CO 0.04 0.46 -0.22 0.45 0.02 0.00 0.00 176.95 177.70 1c50 s SER 245 N -1.49 2.61 0.03 2.95 0.15 0.74 -0.71 113.70 117.98 1c50 s SER 245 Ca 0.36 -0.41 -0.27 0.00 0.70 0.00 0.00 55.95 56.33 1c50 s SER 245 Cb -0.17 -0.44 -0.05 0.00 -1.71 0.00 0.00 66.02 63.66 1c50 s SER 245 CO 0.20 0.25 0.85 0.00 1.20 0.00 0.00 173.24 175.74 1c50 s ALA 246 N -0.37 3.28 -0.01 5.45 0.00 -1.26 -0.83 121.76 128.02 1c50 s ALA 246 Ca 0.04 0.39 0.02 0.00 0.00 0.00 0.00 51.96 52.41 1c50 s ALA 246 Cb -0.10 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.88 1c50 s ALA 246 CO 0.00 -0.06 -0.06 0.15 0.00 0.00 0.00 175.76 175.80 1c50 s LYS 247 N 0.37 0.56 0.23 0.00 -0.14 0.25 -4.66 119.74 116.34 1c50 s LYS 247 Ca 0.44 -0.18 -0.29 0.00 -1.36 0.00 0.00 55.97 54.57 1c50 s LYS 247 Cb -0.21 -0.55 -0.09 0.00 -1.68 0.00 0.00 37.83 35.30 1c50 s LYS 247 CO 0.25 0.08 0.91 0.00 -0.76 0.00 0.00 175.35 175.83 1c50 s ALA 248 N 0.12 3.36 0.35 5.17 0.00 -1.26 -0.23 121.76 129.27 1c50 s ALA 248 Ca -0.01 0.57 -0.26 0.00 0.00 0.00 0.00 51.96 52.26 1c50 s ALA 248 Cb -0.05 -3.16 -0.09 0.00 0.00 0.00 0.00 23.12 19.81 1c50 s ALA 248 CO -0.00 0.23 1.09 -1.25 0.00 0.00 0.00 175.76 175.82 1c50 s PRO 249 N -1.18 4.35 0.00 0.00 0.04 -1.26 -4.89 135.00 132.06 1c50 s PRO 249 Ca 0.40 1.68 0.28 0.00 0.04 0.00 0.00 61.00 63.40 1c50 s PRO 249 Cb -0.25 -2.84 1.40 0.00 0.04 0.00 0.00 34.50 32.85 1c50 s PRO 249 CO 0.31 -0.02 1.95 0.27 0.04 0.00 0.00 177.00 179.55 1c50 n ASN 250 N 0.48 0.00 0.00 6.66 6.94 -1.26 -3.59 115.26 124.49 1c50 n ASN 250 Ca 0.02 -0.12 0.00 0.00 -0.02 0.00 0.00 54.58 54.46 1c50 n ASN 250 Cb 0.47 -0.28 0.00 0.00 -2.36 0.00 0.00 39.78 37.61 1c50 n ASN 250 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1c50 n ASP 251 N -1.28 0.00 -0.42 0.53 5.75 -1.26 -4.53 116.55 115.34 1c50 n ASP 251 Ca 0.13 0.00 0.34 0.00 -0.01 0.00 0.00 54.79 55.26 1c50 n ASP 251 Cb 0.22 0.00 0.64 0.00 -1.03 0.00 0.00 41.12 40.95 1c50 n ASP 251 CO 0.00 0.00 0.00 -0.26 -0.11 0.00 0.00 177.20 176.83 1c50 h PHE 252 N 0.00 0.44 0.00 2.11 0.04 -1.91 2.86 116.94 120.48 1c50 h PHE 252 Ca 0.00 0.02 -0.16 0.00 2.80 0.00 0.00 57.97 60.63 1c50 h PHE 252 Cb 0.00 -0.12 -0.06 0.00 2.20 0.00 0.00 35.95 37.98 1c50 h PHE 252 CO 0.00 -0.09 -0.30 -1.71 -0.60 0.00 0.00 178.31 175.61 1c50 n ASN 253 N -4.54 4.97 0.00 2.17 5.15 -1.24 -2.74 115.26 119.03 1c50 n ASN 253 Ca 0.33 -2.41 0.00 0.00 -0.60 0.00 0.00 54.58 51.90 1c50 n ASN 253 Cb 1.31 -1.31 0.00 0.00 -0.53 0.00 0.00 39.78 39.26 1c50 n ASN 253 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1c50 n LEU 254 N 2.40 0.00 0.17 1.20 -0.00 0.33 -4.72 117.00 116.37 1c50 n LEU 254 Ca 0.35 0.00 0.06 0.00 -0.00 0.00 0.00 56.01 56.42 1c50 n LEU 254 Cb 0.82 0.00 0.11 0.00 -0.00 0.00 0.00 43.42 44.35 1c50 n LEU 254 CO 0.11 0.00 0.59 0.50 -0.00 0.00 0.00 177.39 178.59 1c50 h LYS 255 N 0.00 0.00 -5.57 1.96 3.64 0.51 -3.40 116.57 113.70 1c50 h LYS 255 Ca 0.00 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.12 1c50 h LYS 255 Cb 0.00 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.78 1c50 h LYS 255 CO 0.00 0.35 0.72 0.34 -2.27 0.00 0.00 179.45 178.59 1c50 s ASP 256 N -6.37 4.88 1.13 4.20 -1.08 -1.11 -4.89 116.67 113.45 1c50 s ASP 256 Ca 0.04 -0.91 -0.13 0.00 -0.52 0.00 0.00 52.55 51.03 1c50 s ASP 256 Cb 0.07 -2.57 0.19 0.00 -1.46 0.00 0.00 42.92 39.16 1c50 s ASP 256 CO 0.71 -3.07 0.77 2.22 0.52 0.00 0.00 175.17 176.32 1c50 n PHE 257 N 14.90 -3.68 -0.53 -5.34 -1.74 -1.26 -4.92 117.46 114.89 1c50 n PHE 257 Ca 0.42 -0.69 0.00 0.00 -0.56 0.00 0.00 57.45 56.62 1c50 n PHE 257 Cb 0.46 -0.75 0.00 0.00 1.52 0.00 0.00 39.48 40.71 1c50 n PHE 257 CO 0.00 0.00 0.00 0.09 -0.56 0.00 0.00 176.76 176.29 1c50 n ASN 258 N -4.12 -0.70 -1.30 5.98 4.13 -1.26 -5.04 115.26 112.94 1c50 n ASN 258 Ca 0.10 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.36 1c50 n ASN 258 Cb 0.39 -0.26 0.00 0.00 -1.54 0.00 0.00 39.78 38.38 1c50 n ASN 258 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1c50 n VAL 259 N -0.45 -2.59 0.00 2.41 0.31 -1.26 -5.02 118.33 111.74 1c50 n VAL 259 Ca 0.00 1.27 0.00 0.00 -0.01 0.00 0.00 64.34 65.60 1c50 n VAL 259 Cb 0.18 -2.07 0.00 0.00 -0.91 0.00 0.00 33.84 31.04 1c50 n VAL 259 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1c50 n GLY 260 N -2.30 0.79 0.00 2.92 0.00 -1.26 -5.09 105.19 100.25 1c50 n GLY 260 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1c50 n GLY 260 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c50 n GLY 261 N 0.00 2.42 0.23 -0.02 0.00 -1.26 -4.72 105.19 101.85 1c50 n GLY 261 Ca 0.00 -1.50 -0.16 0.00 0.00 0.00 0.00 46.02 44.36 1c50 n GLY 261 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1c50 h TYR 262 N 0.00 1.08 0.15 1.61 3.20 -1.99 -2.28 116.97 118.74 1c50 h TYR 262 Ca 0.00 -0.42 -0.01 0.00 3.14 0.00 0.00 58.73 61.44 1c50 h TYR 262 Cb 0.00 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.08 1c50 h TYR 262 CO 0.00 1.25 -0.07 0.82 -1.64 0.00 0.00 178.16 178.52 1c50 h ILE 263 N 0.59 0.94 -0.91 1.81 1.08 -2.00 -2.68 117.51 116.34 1c50 h ILE 263 Ca -0.01 -0.38 0.10 0.00 -0.39 0.00 0.00 64.86 64.18 1c50 h ILE 263 Cb 1.25 1.18 -0.08 0.00 -3.07 0.00 0.00 36.82 36.10 1c50 h ILE 263 CO 0.14 0.09 0.55 1.56 -0.69 0.00 0.00 178.15 179.80 1c50 h GLN 264 N -0.38 0.89 -0.99 2.37 1.08 -1.84 -1.27 115.11 114.97 1c50 h GLN 264 Ca -0.02 -0.05 0.02 0.00 -1.45 0.00 0.00 58.65 57.15 1c50 h GLN 264 Cb 0.30 -0.20 -0.05 0.00 -0.05 0.00 0.00 27.48 27.48 1c50 h GLN 264 CO 0.03 0.59 0.65 0.00 -0.95 0.00 0.00 178.83 179.16 1c50 h ALA 265 N 1.48 1.32 -0.23 3.87 0.00 -1.19 0.87 119.26 125.39 1c50 h ALA 265 Ca 0.44 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.19 1c50 h ALA 265 Cb 0.37 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1c50 h ALA 265 CO -0.24 0.60 -0.24 0.28 0.00 0.00 0.00 179.25 179.66 1c50 h VAL 266 N 1.30 1.32 -0.29 0.00 2.07 -0.97 -3.17 116.25 116.50 1c50 h VAL 266 Ca 0.38 -1.40 -0.04 0.00 0.82 0.00 0.00 66.70 66.46 1c50 h VAL 266 Cb -0.07 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 1c50 h VAL 266 CO -0.10 0.44 -0.01 -0.07 0.02 0.00 0.00 177.57 177.84 1c50 h LEU 267 N 0.27 0.41 0.00 2.57 3.38 -0.74 -2.71 115.31 118.49 1c50 h LEU 267 Ca 0.04 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1c50 h LEU 267 Cb 0.79 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1c50 h LEU 267 CO 0.06 0.48 0.00 0.47 0.09 0.00 0.00 178.44 179.54 1c50 n ASP 268 N -4.30 0.00 0.08 -0.43 8.00 0.25 -2.90 116.55 117.26 1c50 n ASP 268 Ca 0.01 -0.15 0.02 0.00 0.71 0.00 0.00 54.79 55.38 1c50 n ASP 268 Cb 0.23 -0.18 0.36 0.00 -0.02 0.00 0.00 41.12 41.51 1c50 n ASP 268 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1c50 h ARG 269 N 0.00 0.33 -4.84 -1.24 3.08 -1.56 -3.21 114.38 106.94 1c50 h ARG 269 Ca 0.00 -0.07 -0.62 0.00 0.07 0.00 0.00 59.98 59.36 1c50 h ARG 269 Cb 0.09 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1c50 h ARG 269 CO 0.00 0.43 2.30 0.09 -1.07 0.00 0.00 179.97 181.72 1c50 n ASN 270 N -4.28 3.59 0.00 7.04 3.02 -1.14 -1.60 115.26 121.89 1c50 n ASN 270 Ca -0.00 -2.79 0.00 0.00 -0.03 0.00 0.00 54.58 51.76 1c50 n ASN 270 Cb 0.26 -1.54 0.00 0.00 -0.61 0.00 0.00 39.78 37.88 1c50 n ASN 270 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1c50 n LEU 271 N 8.59 0.00 -0.02 3.41 7.94 -1.21 -4.75 117.00 130.97 1c50 n LEU 271 Ca 0.49 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 55.31 1c50 n LEU 271 Cb 0.42 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 44.24 1c50 n LEU 271 CO 0.87 0.00 -0.47 0.00 -1.11 0.00 0.00 177.39 176.67 1c50 h ALA 272 N 0.00 0.74 -0.00 1.96 0.00 -1.51 -3.33 119.26 117.12 1c50 h ALA 272 Ca 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 54.91 53.48 1c50 h ALA 272 Cb 0.00 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1c50 h ALA 272 CO 0.00 1.56 -0.33 0.39 0.00 0.00 0.00 179.25 180.88 1c50 n GLU 273 N -3.07 0.12 0.05 0.00 1.02 -1.15 -3.53 120.64 114.07 1c50 n GLU 273 Ca -0.16 -0.05 0.08 0.00 -0.02 0.00 0.00 57.16 57.01 1c50 n GLU 273 Cb 1.04 -1.50 0.36 0.00 -0.02 0.00 0.00 31.44 31.32 1c50 n GLU 273 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1c50 n ASN 274 N -1.39 0.23 -0.28 1.62 3.02 -1.25 -2.97 115.26 114.23 1c50 n ASN 274 Ca 0.07 0.56 -0.05 0.00 -0.03 0.00 0.00 54.58 55.14 1c50 n ASN 274 Cb 0.33 -0.61 0.07 0.00 -0.61 0.00 0.00 39.78 38.96 1c50 n ASN 274 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1c50 h ILE 275 N 0.00 1.21 -0.48 2.41 2.04 -1.80 -2.80 117.51 118.10 1c50 h ILE 275 Ca 0.00 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.41 1c50 h ILE 275 Cb 0.26 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.46 1c50 h ILE 275 CO 0.00 0.22 0.00 -1.54 0.00 0.00 0.00 178.15 176.83 1c50 n SER 276 N -4.50 5.03 -0.04 1.72 3.41 -1.16 -4.68 113.62 113.39 1c50 n SER 276 Ca 0.07 -2.90 -0.13 0.00 -0.26 0.00 0.00 58.87 55.65 1c50 n SER 276 Cb 0.04 -0.62 -0.08 0.00 -0.26 0.00 0.00 64.21 63.29 1c50 n SER 276 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1c50 h ARG 277 N 3.28 0.24 -3.45 4.33 9.65 -1.58 -2.91 114.38 123.94 1c50 h ARG 277 Ca 0.00 -0.13 -0.14 0.00 -1.10 0.00 0.00 59.98 58.61 1c50 h ARG 277 Cb 1.75 0.00 -0.21 0.00 -1.39 0.00 0.00 29.97 30.12 1c50 h ARG 277 CO 0.38 0.66 -0.47 0.54 2.80 0.00 0.00 179.97 183.88 1c50 s VAL 278 N -4.27 0.08 0.15 0.20 0.11 -1.26 -1.77 120.40 113.63 1c50 s VAL 278 Ca -0.15 -0.63 -0.25 0.00 -2.93 0.00 0.00 61.98 58.02 1c50 s VAL 278 Cb 0.04 -0.45 -0.08 0.00 -1.53 0.00 0.00 36.38 34.37 1c50 s VAL 278 CO 0.73 -0.35 0.78 -0.22 -3.33 0.00 0.00 175.10 172.71 1c50 s LEU 279 N -1.31 4.58 -0.12 2.54 2.96 -0.83 -5.00 118.68 121.50 1c50 s LEU 279 Ca -0.14 1.63 -0.29 0.00 -0.22 0.00 0.00 54.13 55.11 1c50 s LEU 279 Cb -0.07 -3.30 -0.02 0.00 0.50 0.00 0.00 46.19 43.30 1c50 s LEU 279 CO 0.02 0.18 1.28 -0.31 -1.32 0.00 0.00 176.35 176.20 1c50 s TYR 280 N -1.00 2.87 -0.44 5.38 1.51 -1.26 -4.86 117.35 119.55 1c50 s TYR 280 Ca 0.36 0.99 0.00 0.00 -1.01 0.00 0.00 57.07 57.41 1c50 s TYR 280 Cb -0.23 -3.52 0.00 0.00 -0.11 0.00 0.00 41.96 38.10 1c50 s TYR 280 CO 0.26 -1.80 0.56 -0.35 -1.11 0.00 0.00 175.55 173.10 1c50 n PRO 281 N 6.23 0.71 -3.34 -1.71 -0.04 -1.26 -4.88 135.00 130.72 1c50 n PRO 281 Ca 0.13 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.22 1c50 n PRO 281 Cb 0.45 -1.24 -0.06 0.00 -0.04 0.00 0.00 33.50 32.61 1c50 n PRO 281 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1c50 s ASN 282 N 0.43 6.62 -0.18 3.54 0.01 -1.26 -4.45 114.94 119.65 1c50 s ASN 282 Ca 0.00 0.74 -0.02 0.00 -0.71 0.00 0.00 52.86 52.87 1c50 s ASN 282 Cb 0.00 -2.27 -0.01 0.00 0.41 0.00 0.00 41.25 39.39 1c50 s ASN 282 CO 0.00 -0.01 -0.10 -0.62 -1.51 0.00 0.00 177.10 174.86 1c50 s ASP 283 N 0.68 3.99 -1.48 -1.22 2.15 -1.26 -4.63 116.67 114.90 1c50 s ASP 283 Ca 0.24 -0.41 -0.10 0.00 0.43 0.00 0.00 52.55 52.71 1c50 s ASP 283 Cb -0.15 -1.65 0.06 0.00 -0.30 0.00 0.00 42.92 40.89 1c50 s ASP 283 CO 0.09 0.05 0.87 0.59 -0.17 0.00 0.00 175.17 176.61 1c50 n ASN 284 N 4.31 -3.60 -3.68 -0.34 3.02 -1.26 -4.97 115.26 108.74 1c50 n ASN 284 Ca -0.19 -0.82 -0.10 0.00 -0.03 0.00 0.00 54.58 53.45 1c50 n ASN 284 Cb 0.51 -3.81 -0.09 0.00 -0.61 0.00 0.00 39.78 35.78 1c50 n ASN 284 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1c50 s PHE 285 N -3.43 -0.73 -0.12 3.10 5.36 -1.26 -4.25 117.98 116.64 1c50 s PHE 285 Ca 0.47 1.56 -0.13 0.00 -0.96 0.00 0.00 56.93 57.87 1c50 s PHE 285 Cb -0.24 0.36 -0.05 0.00 -0.34 0.00 0.00 43.02 42.76 1c50 s PHE 285 CO 0.83 -0.38 0.30 0.12 -1.46 0.00 0.00 175.22 174.63 1c50 s PHE 286 N 1.25 3.54 -0.21 10.12 5.36 0.50 -4.85 117.98 133.69 1c50 s PHE 286 Ca -0.08 0.68 -0.00 0.00 -0.96 0.00 0.00 56.93 56.57 1c50 s PHE 286 Cb -0.06 -2.28 0.05 0.00 -0.34 0.00 0.00 43.02 40.39 1c50 s PHE 286 CO -0.12 0.39 -0.04 -2.00 -1.46 0.00 0.00 175.22 171.98 1c50 s GLU 287 N -0.05 1.44 -1.42 10.12 2.12 -1.26 -4.96 118.70 124.69 1c50 s GLU 287 Ca 0.18 -0.77 -0.13 0.00 0.36 0.00 0.00 54.97 54.61 1c50 s GLU 287 Cb -0.14 -2.35 0.07 0.00 0.26 0.00 0.00 34.13 31.97 1c50 s GLU 287 CO 0.06 -0.55 2.14 0.41 -0.54 0.00 0.00 175.26 176.78 1c50 n GLY 288 N 4.79 4.43 3.79 -1.50 0.00 -1.26 -4.93 105.19 110.51 1c50 n GLY 288 Ca -0.12 -1.69 -0.33 0.00 0.00 0.00 0.00 46.02 43.88 1c50 n GLY 288 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c50 s LYS 289 N 2.64 3.11 0.28 1.61 -0.14 -1.26 -5.01 119.74 120.97 1c50 s LYS 289 Ca 0.46 -0.44 -0.01 0.00 -1.36 0.00 0.00 55.97 54.62 1c50 s LYS 289 Cb 0.13 -2.89 0.48 0.00 -1.68 0.00 0.00 37.83 33.86 1c50 s LYS 289 CO -0.07 0.66 1.87 1.49 -0.76 0.00 0.00 175.35 178.55 1c50 h GLU 290 N 4.25 1.06 -0.42 1.68 4.81 -2.00 -1.50 114.58 122.46 1c50 h GLU 290 Ca -0.50 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.67 1c50 h GLU 290 Cb 1.19 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 30.31 1c50 h GLU 290 CO 0.62 0.70 0.28 1.25 -0.73 0.00 0.00 179.01 181.13 1c50 h LEU 291 N 1.10 0.49 -0.05 1.64 5.85 -1.99 -1.35 115.31 121.00 1c50 h LEU 291 Ca 0.45 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.15 1c50 h LEU 291 Cb 0.29 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 1c50 h LEU 291 CO -0.20 0.36 -0.00 -0.09 -0.34 0.00 0.00 178.44 178.16 1c50 h ARG 292 N 0.57 0.08 -0.82 1.25 1.12 -1.64 -2.23 114.38 112.73 1c50 h ARG 292 Ca 0.15 -0.03 0.02 0.00 -1.11 0.00 0.00 59.98 59.02 1c50 h ARG 292 Cb -0.06 -0.01 -0.04 0.00 -0.01 0.00 0.00 29.97 29.85 1c50 h ARG 292 CO -0.03 0.37 0.54 1.25 -3.11 0.00 0.00 179.97 178.99 1c50 h LEU 293 N -0.22 0.90 -0.89 3.80 5.85 -1.24 -0.48 115.31 123.04 1c50 h LEU 293 Ca 0.01 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1c50 h LEU 293 Cb 0.34 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1c50 h LEU 293 CO 0.00 0.63 0.15 0.11 -0.34 0.00 0.00 178.44 179.00 1c50 h LYS 294 N 1.05 0.97 -0.50 1.25 1.57 -1.15 -0.17 116.57 119.60 1c50 h LYS 294 Ca 0.32 -0.21 -0.08 0.00 -1.87 0.00 0.00 60.65 58.80 1c50 h LYS 294 Cb -0.03 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 1c50 h LYS 294 CO -0.08 0.87 0.01 1.96 -0.57 0.00 0.00 179.45 181.64 1c50 h GLN 295 N 0.93 0.88 -0.59 3.15 4.20 -0.65 -0.07 115.11 122.96 1c50 h GLN 295 Ca 0.20 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1c50 h GLN 295 Cb 0.33 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 1c50 h GLN 295 CO -0.00 0.90 0.37 0.93 -0.67 0.00 0.00 178.83 180.37 1c50 h GLU 296 N 0.74 0.80 -0.06 1.46 5.08 -0.57 -1.63 114.58 120.39 1c50 h GLU 296 Ca 0.14 -0.06 -0.22 0.00 -1.00 0.00 0.00 59.36 58.22 1c50 h GLU 296 Cb 0.50 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1c50 h GLU 296 CO 0.02 0.55 -0.85 -0.92 -1.00 0.00 0.00 179.01 176.82 1c50 h TYR 297 N 0.80 0.77 -0.21 4.33 3.20 -0.94 -2.99 116.97 121.93 1c50 h TYR 297 Ca 0.21 -0.37 0.05 0.00 3.14 0.00 0.00 58.73 61.77 1c50 h TYR 297 Cb -0.05 -0.10 -0.06 0.00 1.54 0.00 0.00 36.73 38.05 1c50 h TYR 297 CO -0.03 1.18 -0.17 0.35 -1.64 0.00 0.00 178.16 177.85 1c50 h PHE 298 N 0.35 -0.43 -0.12 -3.82 3.57 -0.69 0.43 116.94 116.23 1c50 h PHE 298 Ca -0.06 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.36 1c50 h PHE 298 Cb 1.47 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 40.42 1c50 h PHE 298 CO 0.07 -0.24 -0.39 -0.24 -2.23 0.00 0.00 178.31 175.27 1c50 h VAL 299 N -0.17 1.30 -0.04 1.41 3.04 -1.37 -2.80 116.25 117.62 1c50 h VAL 299 Ca 0.13 -1.48 -0.03 0.00 -1.01 0.00 0.00 66.70 64.30 1c50 h VAL 299 Cb 0.36 1.65 0.00 0.00 -2.01 0.00 0.00 31.29 31.30 1c50 h VAL 299 CO -0.32 0.45 -0.11 0.58 -1.01 0.00 0.00 177.57 177.16 1c50 h VAL 300 N 0.21 1.45 -0.44 1.51 2.07 -1.25 -2.67 116.25 117.13 1c50 h VAL 300 Ca 0.02 -1.48 -0.03 0.00 0.82 0.00 0.00 66.70 66.03 1c50 h VAL 300 Cb 0.80 2.33 -0.02 0.00 -1.52 0.00 0.00 31.29 32.87 1c50 h VAL 300 CO 0.06 0.40 0.17 0.00 0.02 0.00 0.00 177.57 178.23 1c50 h ALA 301 N 0.44 0.57 -0.22 1.67 0.00 -0.18 -2.32 119.26 119.22 1c50 h ALA 301 Ca -0.00 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 1c50 h ALA 301 Cb 0.71 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1c50 h ALA 301 CO 0.02 0.18 -0.22 0.00 0.00 0.00 0.00 179.25 179.23 1c50 h ALA 302 N 1.02 0.32 -0.93 0.00 0.00 -1.61 -3.12 119.26 114.95 1c50 h ALA 302 Ca 0.15 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1c50 h ALA 302 Cb 0.19 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1c50 h ALA 302 CO -0.01 0.28 0.54 1.15 0.00 0.00 0.00 179.25 181.20 1c50 h THR 303 N 0.23 1.26 -0.35 0.00 2.02 -1.48 -2.40 112.91 112.19 1c50 h THR 303 Ca 0.04 -0.60 -0.12 0.00 0.77 0.00 0.00 66.41 66.49 1c50 h THR 303 Cb 0.77 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1c50 h THR 303 CO 0.05 0.28 -0.27 -0.07 0.37 0.00 0.00 175.52 175.89 1c50 h LEU 304 N 1.29 0.74 -0.83 2.58 3.38 -1.45 0.41 115.31 121.43 1c50 h LEU 304 Ca 0.33 -0.28 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 1c50 h LEU 304 Cb -0.02 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1c50 h LEU 304 CO -0.06 0.98 -0.32 1.56 0.09 0.00 0.00 178.44 180.69 1c50 h GLN 305 N 0.62 0.50 -0.36 1.13 4.20 -1.46 -1.35 115.11 118.39 1c50 h GLN 305 Ca 0.08 -0.22 -0.16 0.00 0.06 0.00 0.00 58.65 58.42 1c50 h GLN 305 Cb 0.78 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.54 1c50 h GLN 305 CO 0.06 0.76 -0.39 0.22 -0.67 0.00 0.00 178.83 178.82 1c50 h ASP 306 N 0.43 0.94 -0.30 1.46 3.58 -1.07 -0.96 116.42 120.50 1c50 h ASP 306 Ca 0.05 -0.43 -0.06 0.00 0.42 0.00 0.00 57.03 57.01 1c50 h ASP 306 Cb 0.77 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.54 1c50 h ASP 306 CO 0.06 1.22 -0.04 0.40 -2.88 0.00 0.00 179.24 178.00 1c50 h ILE 307 N 0.72 1.27 -0.25 2.25 2.04 -0.69 -1.95 117.51 120.89 1c50 h ILE 307 Ca 0.06 -1.04 -0.12 0.00 1.00 0.00 0.00 64.86 64.76 1c50 h ILE 307 Cb 0.97 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.37 1c50 h ILE 307 CO 0.09 0.33 -0.33 0.40 0.00 0.00 0.00 178.15 178.65 1c50 h ILE 308 N 0.34 1.29 -0.32 -0.67 2.04 -1.23 -0.89 117.51 118.07 1c50 h ILE 308 Ca 0.08 -1.44 -0.03 0.00 1.00 0.00 0.00 64.86 64.48 1c50 h ILE 308 Cb 0.51 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 1c50 h ILE 308 CO 0.02 0.45 0.08 -0.09 0.00 0.00 0.00 178.15 178.62 1c50 h ARG 309 N 0.46 0.50 -0.79 2.37 2.43 -1.09 -0.81 114.38 117.44 1c50 h ARG 309 Ca 0.05 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1c50 h ARG 309 Cb 0.80 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.24 1c50 h ARG 309 CO 0.06 0.56 0.48 -0.09 -1.51 0.00 0.00 179.97 179.48 1c50 h ARG 310 N 0.35 1.07 -0.60 0.20 2.43 -1.15 -2.66 114.38 114.03 1c50 h ARG 310 Ca 0.10 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1c50 h ARG 310 Cb 0.28 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 1c50 h ARG 310 CO -0.00 0.76 0.29 0.35 -1.51 0.00 0.00 179.97 179.86 1c50 h PHE 311 N 1.08 0.86 0.00 2.20 3.57 -0.89 -2.20 116.94 121.57 1c50 h PHE 311 Ca 0.28 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.74 1c50 h PHE 311 Cb -0.04 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.43 1c50 h PHE 311 CO -0.01 0.66 0.00 1.63 -2.23 0.00 0.00 178.31 178.36 1c50 n LYS 312 N -4.52 0.13 -0.03 1.11 5.02 -0.34 -2.88 118.16 116.66 1c50 n LYS 312 Ca 0.04 0.59 -0.02 0.00 -2.02 0.00 0.00 58.31 56.89 1c50 n LYS 312 Cb 0.12 -1.90 -0.01 0.00 -0.02 0.00 0.00 35.03 33.22 1c50 n LYS 312 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1c50 n SER 313 N -2.18 0.70 0.00 4.39 7.64 -0.88 -2.73 113.62 120.58 1c50 n SER 313 Ca -0.01 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.20 1c50 n SER 313 Cb 0.06 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 1c50 n SER 313 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1c50 n SER 314 N -3.18 0.00 0.00 6.43 7.64 -0.92 -0.30 113.62 123.29 1c50 n SER 314 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1c50 n SER 314 Cb 0.13 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 1c50 n SER 314 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1c50 n LYS 315 N 1.77 0.31 -0.01 1.43 4.01 -1.26 -4.56 118.16 119.85 1c50 n LYS 315 Ca 0.00 -0.63 -0.13 0.00 -0.51 0.00 0.00 58.31 57.05 1c50 n LYS 315 Cb 0.00 -0.82 -0.14 0.00 -0.51 0.00 0.00 35.03 33.56 1c50 n LYS 315 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 1c50 n PHE 316 N -0.12 1.08 -0.59 2.13 3.01 -1.17 -3.03 117.46 118.77 1c50 n PHE 316 Ca 0.00 0.33 -0.03 0.00 1.01 0.00 0.00 57.45 58.76 1c50 n PHE 316 Cb 0.18 -1.18 -0.04 0.00 -0.01 0.00 0.00 39.48 38.43 1c50 n PHE 316 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1c50 n GLY 317 N 1.69 2.54 2.11 1.37 0.00 0.59 -3.08 105.19 110.41 1c50 n GLY 317 Ca -0.22 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1c50 n GLY 317 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c50 n ARG 319 N -3.14 0.00 0.00 0.00 0.00 -1.17 -5.07 116.66 107.28 1c50 n ARG 319 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1c50 n ARG 319 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.46 1c50 n ARG 319 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1c50 n ASP 320 N 0.00 -1.25 0.09 2.89 8.00 -1.25 -2.09 116.55 122.94 1c50 n ASP 320 Ca 0.00 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.56 1c50 n ASP 320 Cb 0.00 0.00 0.33 0.00 -0.02 0.00 0.00 41.12 41.43 1c50 n ASP 320 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1c50 n PRO 321 N 0.00 0.08 -2.34 -0.24 -0.04 -1.26 -4.92 135.00 126.29 1c50 n PRO 321 Ca 0.00 0.55 -0.02 0.00 -0.04 0.00 0.00 63.50 64.00 1c50 n PRO 321 Cb 0.00 -1.75 -0.01 0.00 -0.04 0.00 0.00 33.50 31.70 1c50 n PRO 321 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1c50 n VAL 322 N -1.92-12.57 0.00 0.52 0.31 -0.89 -5.06 118.33 98.72 1c50 n VAL 322 Ca -0.00 2.85 0.00 0.00 -0.01 0.00 0.00 64.34 67.18 1c50 n VAL 322 Cb 0.04 -6.05 0.00 0.00 -0.91 0.00 0.00 33.84 26.92 1c50 n VAL 322 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1c50 n ARG 323 N 1.67 0.00 -1.27 5.55 3.00 -1.26 -4.98 116.66 119.37 1c50 n ARG 323 Ca -0.13 0.00 -0.07 0.00 -0.00 0.00 0.00 57.85 57.65 1c50 n ARG 323 Cb 0.20 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.60 1c50 n ARG 323 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1c50 n THR 324 N 0.00 0.00 -3.07 5.15 -1.04 -1.26 -4.82 114.28 109.24 1c50 n THR 324 Ca 0.00 -0.26 -0.43 0.00 -2.04 0.00 0.00 64.05 61.31 1c50 n THR 324 Cb 0.00 -0.95 -0.06 0.00 -1.82 0.00 0.00 70.33 67.50 1c50 n THR 324 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1c50 s ASN 325 N 4.06 6.31 0.00 8.00 0.02 -1.26 -4.89 114.94 127.18 1c50 s ASN 325 Ca 0.39 -0.48 0.00 0.00 -1.02 0.00 0.00 52.86 51.75 1c50 s ASN 325 Cb -0.02 -2.33 0.00 0.00 0.02 0.00 0.00 41.25 38.91 1c50 s ASN 325 CO 0.09 -0.88 0.87 0.49 0.02 0.00 0.00 177.10 177.69 1c50 n PHE 326 N 6.44 0.00 -0.06 2.20 3.72 -1.26 -3.37 117.46 125.13 1c50 n PHE 326 Ca -0.02 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.32 1c50 n PHE 326 Cb 0.47 -0.01 0.13 0.00 -0.94 0.00 0.00 39.48 39.13 1c50 n PHE 326 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1c50 h ASP 327 N 0.01 0.69 -0.05 4.37 3.32 -1.98 -1.79 116.42 120.98 1c50 h ASP 327 Ca 0.00 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.81 1c50 h ASP 327 Cb 0.05 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.42 1c50 h ASP 327 CO 0.00 0.89 0.00 0.00 -1.72 0.00 0.00 179.24 178.41 1c50 n ALA 328 N -2.49 2.59 -0.00 3.45 0.00 -1.22 -4.28 120.51 118.55 1c50 n ALA 328 Ca 0.00 -0.36 -0.10 0.00 0.00 0.00 0.00 53.44 52.97 1c50 n ALA 328 Cb 0.41 -1.24 -0.04 0.00 0.00 0.00 0.00 19.45 18.59 1c50 n ALA 328 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1c50 h PHE 329 N 1.45 -0.86 0.00 0.00 3.57 -1.53 -0.97 116.94 118.61 1c50 h PHE 329 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1c50 h PHE 329 Cb 0.31 0.40 0.00 0.00 2.79 0.00 0.00 35.95 39.45 1c50 h PHE 329 CO 0.03 -0.39 0.00 -2.30 -2.23 0.00 0.00 178.31 173.42 1c50 n PRO 330 N -5.41 0.03 0.11 6.41 -0.02 -1.26 -0.26 135.00 134.61 1c50 n PRO 330 Ca -0.03 0.37 0.09 0.00 -2.02 0.00 0.00 63.50 61.90 1c50 n PRO 330 Cb 0.32 -1.57 0.02 0.00 -0.02 0.00 0.00 33.50 32.25 1c50 n PRO 330 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1c50 h ASP 331 N 0.00 0.00 0.00 2.55 3.32 -1.46 -3.36 116.42 117.47 1c50 h ASP 331 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1c50 h ASP 331 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1c50 h ASP 331 CO 0.00 0.15 -0.88 0.29 -1.72 0.00 0.00 179.24 177.09 1c50 n LYS 332 N -2.84 2.32 -4.43 3.56 4.76 -0.61 -4.56 118.16 116.38 1c50 n LYS 332 Ca -0.01 -0.04 -0.21 0.00 -2.87 0.00 0.00 58.31 55.18 1c50 n LYS 332 Cb 0.62 -1.05 -0.16 0.00 -1.84 0.00 0.00 35.03 32.60 1c50 n LYS 332 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1c50 s VAL 333 N -2.18 0.84 -0.05 -0.18 1.01 0.64 -0.05 120.40 120.43 1c50 s VAL 333 Ca 0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 61.98 61.59 1c50 s VAL 333 Cb 0.06 -0.75 0.03 0.00 0.00 0.00 0.00 36.38 35.71 1c50 s VAL 333 CO 0.36 0.26 0.00 0.00 0.00 0.00 0.00 175.10 175.72 1c50 s ALA 334 N 0.23 0.50 -0.15 5.51 0.00 -0.44 -4.43 121.76 122.98 1c50 s ALA 334 Ca -0.04 0.03 0.01 0.00 0.00 0.00 0.00 51.96 51.96 1c50 s ALA 334 Cb -0.09 -0.53 0.02 0.00 0.00 0.00 0.00 23.12 22.51 1c50 s ALA 334 CO 0.01 -0.26 -0.19 0.96 0.00 0.00 0.00 175.76 176.28 1c50 s ILE 335 N 1.50 1.92 -0.17 0.00 -4.36 -0.11 0.21 121.20 120.19 1c50 s ILE 335 Ca -0.03 -0.87 -0.12 0.00 -0.26 0.00 0.00 60.65 59.38 1c50 s ILE 335 Cb -0.13 -1.73 -0.05 0.00 1.25 0.00 0.00 42.46 41.80 1c50 s ILE 335 CO -0.03 0.52 0.22 -1.58 0.24 0.00 0.00 174.94 174.31 1c50 s GLN 336 N 1.14 4.16 -0.39 0.37 2.00 0.48 -2.34 119.66 125.08 1c50 s GLN 336 Ca -0.00 -0.05 -0.15 0.00 -2.00 0.00 0.00 55.36 53.16 1c50 s GLN 336 Cb -0.14 -3.40 0.01 0.00 0.80 0.00 0.00 33.01 30.28 1c50 s GLN 336 CO -0.08 0.31 0.34 -0.51 -0.50 0.00 0.00 175.29 174.86 1c50 s LEU 337 N 0.28 4.82 -0.88 3.68 1.02 -0.09 -1.39 118.68 126.11 1c50 s LEU 337 Ca 0.13 -0.63 -0.24 0.00 0.02 0.00 0.00 54.13 53.41 1c50 s LEU 337 Cb -0.12 -2.26 0.05 0.00 0.02 0.00 0.00 46.19 43.88 1c50 s LEU 337 CO 0.02 -0.43 1.32 0.21 0.02 0.00 0.00 176.35 177.48 1c50 s ASN 338 N 1.74 6.37 0.17 2.29 2.47 -0.69 -1.77 114.94 125.50 1c50 s ASN 338 Ca 0.09 -1.12 0.00 0.00 0.42 0.00 0.00 52.86 52.25 1c50 s ASN 338 Cb -0.18 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.09 1c50 s ASN 338 CO 0.11 -1.58 0.00 -0.67 -3.72 0.00 0.00 177.10 171.25 1c50 n ASP 339 N 8.75 -0.66 -0.76 -4.21 -0.08 -0.67 -4.27 116.55 114.64 1c50 n ASP 339 Ca 0.19 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.59 1c50 n ASP 339 Cb 0.50 0.00 0.28 0.00 2.34 0.00 0.00 41.12 44.24 1c50 n ASP 339 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1c50 n THR 340 N -0.11 0.03 -0.33 5.18 -2.24 -1.26 -4.46 114.28 111.09 1c50 n THR 340 Ca 0.00 -0.41 0.05 0.00 -2.27 0.00 0.00 64.05 61.43 1c50 n THR 340 Cb 0.00 1.03 0.21 0.00 -2.10 0.00 0.00 70.33 69.47 1c50 n THR 340 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1c50 h HIS 341 N 3.67 1.02 -0.51 4.78 3.86 -1.97 -1.29 115.15 124.71 1c50 h HIS 341 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1c50 h HIS 341 Cb 0.78 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.93 1c50 h HIS 341 CO 0.02 0.41 0.00 -0.35 0.86 0.00 0.00 177.93 178.86 1c50 n PRO 342 N -4.68 4.19 0.27 2.45 -0.04 -1.26 -4.60 135.00 131.32 1c50 n PRO 342 Ca 0.17 -2.67 0.18 0.00 -0.04 0.00 0.00 63.50 61.14 1c50 n PRO 342 Cb 0.32 -2.10 0.92 0.00 -0.04 0.00 0.00 33.50 32.60 1c50 n PRO 342 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1c50 h SER 343 N 3.45 0.00 0.15 3.54 4.64 -1.50 -1.72 113.55 122.12 1c50 h SER 343 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1c50 h SER 343 Cb 1.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.78 1c50 h SER 343 CO 0.39 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.53 1c50 n LEU 344 N -3.42 0.00 0.08 5.97 4.77 -1.26 -2.31 117.00 120.83 1c50 n LEU 344 Ca -0.00 0.19 0.01 0.00 -0.03 0.00 0.00 56.01 56.17 1c50 n LEU 344 Cb 0.28 -0.19 0.33 0.00 -2.33 0.00 0.00 43.42 41.52 1c50 n LEU 344 CO 0.22 -0.11 0.85 0.00 -1.33 0.00 0.00 177.39 177.03 1c50 h ALA 345 N 2.65 1.39 0.62 -1.18 0.00 -1.67 -1.01 119.26 120.05 1c50 h ALA 345 Ca 0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1c50 h ALA 345 Cb 0.07 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.77 1c50 h ALA 345 CO 0.00 0.42 -0.30 0.82 0.00 0.00 0.00 179.25 180.19 1c50 h ILE 346 N 0.30 0.00 0.00 0.00 2.04 -1.71 0.08 117.51 118.22 1c50 h ILE 346 Ca 0.06 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 1c50 h ILE 346 Cb 0.45 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 1c50 h ILE 346 CO 0.03 0.00 -0.19 1.55 0.00 0.00 0.00 178.15 179.54 1c50 h PRO 347 N -1.04 0.00 -0.12 2.37 0.13 -1.75 -2.65 132.00 128.95 1c50 h PRO 347 Ca -0.08 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.89 1c50 h PRO 347 Cb 0.64 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.76 1c50 h PRO 347 CO 0.14 0.19 -0.60 1.49 -0.23 0.00 0.00 178.00 178.98 1c50 h GLU 348 N 0.00 0.40 -0.39 0.86 4.57 -1.17 -0.97 114.58 117.87 1c50 h GLU 348 Ca -0.00 -0.27 -0.08 0.00 -1.18 0.00 0.00 59.36 57.83 1c50 h GLU 348 Cb 0.36 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.97 1c50 h GLU 348 CO 0.02 0.88 -0.08 1.25 -1.18 0.00 0.00 179.01 179.91 1c50 h LEU 349 N 0.30 0.65 -0.32 1.64 5.85 -0.65 -1.76 115.31 121.01 1c50 h LEU 349 Ca -0.01 -0.17 -0.14 0.00 0.84 0.00 0.00 57.88 58.41 1c50 h LEU 349 Cb 1.13 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.99 1c50 h LEU 349 CO 0.10 0.77 -0.33 0.24 -0.34 0.00 0.00 178.44 178.88 1c50 h MET 350 N 0.62 0.80 -0.02 1.25 2.86 -1.31 -1.51 114.93 117.62 1c50 h MET 350 Ca 0.12 -0.42 0.02 0.00 -2.06 0.00 0.00 59.70 57.35 1c50 h MET 350 Cb 0.50 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.15 1c50 h MET 350 CO 0.03 1.06 -0.09 -0.09 1.06 0.00 0.00 176.91 178.87 1c50 h ARG 351 N 0.57 -0.14 0.18 1.72 2.43 -0.82 0.37 114.38 118.69 1c50 h ARG 351 Ca 0.05 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1c50 h ARG 351 Cb 0.91 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 1c50 h ARG 351 CO 0.08 -0.09 -0.09 0.28 -1.51 0.00 0.00 179.97 178.64 1c50 h VAL 352 N -0.14 0.90 -0.94 0.20 2.07 -1.33 0.49 116.25 117.49 1c50 h VAL 352 Ca 0.04 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 1c50 h VAL 352 Cb 0.20 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 1c50 h VAL 352 CO -0.11 0.10 0.58 -0.07 0.02 0.00 0.00 177.57 178.08 1c50 h LEU 353 N -0.45 1.12 0.00 2.57 3.38 -1.18 0.14 115.31 120.88 1c50 h LEU 353 Ca -0.03 -0.06 -0.17 0.00 0.09 0.00 0.00 57.88 57.71 1c50 h LEU 353 Cb 0.35 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1c50 h LEU 353 CO 0.04 0.85 -0.93 0.58 0.09 0.00 0.00 178.44 179.07 1c50 h VAL 354 N 1.29 1.11 -0.08 1.22 2.07 -0.26 0.16 116.25 121.76 1c50 h VAL 354 Ca 0.34 -2.20 -0.24 0.00 0.82 0.00 0.00 66.70 65.42 1c50 h VAL 354 Cb -0.07 2.46 0.02 0.00 -1.52 0.00 0.00 31.29 32.18 1c50 h VAL 354 CO -0.07 0.38 -0.88 0.44 0.02 0.00 0.00 177.57 177.46 1c50 h ASP 355 N -1.00 0.91 0.00 0.57 3.32 -0.11 -3.14 116.42 116.97 1c50 h ASP 355 Ca -0.26 -0.68 -0.23 0.00 0.02 0.00 0.00 57.03 55.88 1c50 h ASP 355 Cb 1.21 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.45 1c50 h ASP 355 CO -0.16 1.46 -1.58 0.18 -1.72 0.00 0.00 179.24 177.42 1c50 n LEU 356 N -3.92 1.91 0.04 1.55 4.77 -0.39 -4.46 117.00 116.50 1c50 n LEU 356 Ca -0.09 0.40 0.11 0.00 -0.03 0.00 0.00 56.01 56.40 1c50 n LEU 356 Cb 0.80 -0.84 0.47 0.00 -2.33 0.00 0.00 43.42 41.52 1c50 n LEU 356 CO 0.54 0.14 0.86 -0.62 -1.33 0.00 0.00 177.39 176.98 1c50 n GLU 357 N -4.40 0.08 -2.98 3.23 -0.58 0.34 -4.93 120.64 111.40 1c50 n GLU 357 Ca -0.33 0.18 -0.18 0.00 -0.42 0.00 0.00 57.16 56.42 1c50 n GLU 357 Cb 0.66 -1.62 0.04 0.00 -0.57 0.00 0.00 31.44 29.95 1c50 n GLU 357 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1c50 n ARG 358 N -1.76 -4.46 -2.27 3.49 5.12 -0.91 -4.96 116.66 110.91 1c50 n ARG 358 Ca 0.05 0.69 -0.31 0.00 -1.93 0.00 0.00 57.85 56.36 1c50 n ARG 358 Cb 0.29 -5.15 -0.01 0.00 -1.16 0.00 0.00 32.46 26.43 1c50 n ARG 358 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1c50 s LEU 359 N -5.46 3.49 0.44 0.55 1.02 0.51 -4.98 118.68 114.26 1c50 s LEU 359 Ca 0.29 1.36 -0.21 0.00 0.02 0.00 0.00 54.13 55.59 1c50 s LEU 359 Cb -0.13 -4.34 -0.09 0.00 0.02 0.00 0.00 46.19 41.64 1c50 s LEU 359 CO 0.36 -0.68 1.01 1.51 0.02 0.00 0.00 176.35 178.57 1c50 s ASP 360 N -3.67 6.65 0.19 2.29 -4.77 -1.26 -4.50 116.67 111.59 1c50 s ASP 360 Ca 0.55 1.87 -0.26 0.00 -3.30 0.00 0.00 52.55 51.41 1c50 s ASP 360 Cb -0.10 -2.56 0.05 0.00 -1.09 0.00 0.00 42.92 39.22 1c50 s ASP 360 CO 0.42 -0.56 1.55 -0.25 0.70 0.00 0.00 175.17 177.03 1c50 h TRP 361 N 1.92 -1.55 -0.67 2.11 2.91 -1.97 -1.64 115.95 117.06 1c50 h TRP 361 Ca -0.49 0.12 0.02 0.00 1.13 0.00 0.00 58.89 59.66 1c50 h TRP 361 Cb 1.21 0.81 -0.03 0.00 -0.51 0.00 0.00 29.16 30.63 1c50 h TRP 361 CO 0.59 -0.39 0.44 -0.44 -1.03 0.00 0.00 178.44 177.61 1c50 h ASP 362 N -0.02 0.74 -0.22 2.65 3.32 -1.98 0.23 116.42 121.13 1c50 h ASP 362 Ca 0.23 -0.02 -0.15 0.00 0.02 0.00 0.00 57.03 57.11 1c50 h ASP 362 Cb 0.50 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1c50 h ASP 362 CO -0.94 0.52 -0.45 0.50 -1.72 0.00 0.00 179.24 177.16 1c50 h LYS 363 N 0.87 0.70 -0.73 3.56 3.11 -1.78 -1.18 116.57 121.12 1c50 h LYS 363 Ca 0.25 -0.46 0.01 0.00 -2.81 0.00 0.00 60.65 57.65 1c50 h LYS 363 Cb -0.04 0.06 -0.04 0.00 -1.00 0.00 0.00 32.23 31.21 1c50 h LYS 363 CO -0.06 1.08 0.48 0.00 -2.81 0.00 0.00 179.45 178.14 1c50 h ALA 364 N 0.62 0.93 -0.24 5.00 0.00 -0.66 -1.13 119.26 123.79 1c50 h ALA 364 Ca 0.01 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1c50 h ALA 364 Cb 1.06 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1c50 h ALA 364 CO 0.10 0.33 -0.39 2.35 0.00 0.00 0.00 179.25 181.64 1c50 h TRP 365 N 0.97 0.65 -0.25 0.00 2.91 -0.46 -1.23 115.95 118.54 1c50 h TRP 365 Ca 0.27 -0.18 -0.03 0.00 1.13 0.00 0.00 58.89 60.08 1c50 h TRP 365 Cb -0.09 -0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 28.41 1c50 h TRP 365 CO -0.02 0.86 0.06 1.49 -1.03 0.00 0.00 178.44 179.79 1c50 h GLU 366 N 0.46 0.41 0.10 2.65 4.81 -0.81 -2.03 114.58 120.15 1c50 h GLU 366 Ca 0.04 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1c50 h GLU 366 Cb 0.88 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.21 1c50 h GLU 366 CO 0.08 0.51 -0.06 0.28 -0.73 0.00 0.00 179.01 179.09 1c50 h VAL 367 N 0.23 0.88 -0.23 0.32 2.07 -1.10 -2.14 116.25 116.29 1c50 h VAL 367 Ca 0.08 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.64 1c50 h VAL 367 Cb 0.29 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1c50 h VAL 367 CO 0.00 0.00 -0.05 0.74 0.02 0.00 0.00 177.57 178.28 1c50 h THR 368 N -0.15 0.78 -0.40 2.57 2.02 -1.17 -1.78 112.91 114.78 1c50 h THR 368 Ca -0.01 -0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.12 1c50 h THR 368 Cb 0.12 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 1c50 h THR 368 CO 0.01 0.00 0.06 0.58 0.37 0.00 0.00 175.52 176.55 1c50 h VAL 369 N 0.01 1.20 0.00 3.16 2.07 -1.33 -2.06 116.25 119.30 1c50 h VAL 369 Ca 0.11 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1c50 h VAL 369 Cb 0.16 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1c50 h VAL 369 CO -0.23 0.26 0.00 0.11 0.02 0.00 0.00 177.57 177.73 1c50 h LYS 370 N 0.59 0.00 0.00 1.57 1.57 -0.91 -1.66 116.57 117.73 1c50 h LYS 370 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1c50 h LYS 370 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1c50 h LYS 370 CO 0.00 0.00 -1.51 -2.37 -0.57 0.00 0.00 179.45 175.00 1c50 n THR 371 N -3.06 0.00 -3.84 -0.16 5.66 -0.71 -4.88 114.28 107.28 1c50 n THR 371 Ca 0.02 -0.31 -0.37 0.00 -3.05 0.00 0.00 64.05 60.35 1c50 n THR 371 Cb 0.42 0.38 -0.06 0.00 -1.55 0.00 0.00 70.33 69.51 1c50 n THR 371 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1c50 s ALA 373 N -0.81 0.38 -0.04 0.00 0.00 -0.99 -1.26 121.76 119.05 1c50 s ALA 373 Ca 0.14 -0.30 0.07 0.00 0.00 0.00 0.00 51.96 51.88 1c50 s ALA 373 Cb -0.12 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 1c50 s ALA 373 CO 0.03 0.06 -0.24 -0.47 0.00 0.00 0.00 175.76 175.14 1c50 s TYR 374 N -0.36 2.27 -0.20 0.00 5.04 -0.14 -0.92 117.35 123.04 1c50 s TYR 374 Ca -0.01 -0.55 -0.03 0.00 -2.44 0.00 0.00 57.07 54.04 1c50 s TYR 374 Cb -0.03 -1.48 -0.01 0.00 0.35 0.00 0.00 41.96 40.79 1c50 s TYR 374 CO -0.00 -0.12 -0.07 0.99 -1.34 0.00 0.00 175.55 175.00 1c50 s THR 375 N -0.36 3.16 -0.01 4.34 2.01 -0.73 -2.20 115.64 121.85 1c50 s THR 375 Ca 0.03 -0.57 -0.17 0.00 0.31 0.00 0.00 61.69 61.29 1c50 s THR 375 Cb -0.11 -2.42 -0.05 0.00 0.01 0.00 0.00 72.50 69.92 1c50 s THR 375 CO 0.01 0.45 0.48 0.21 -0.69 0.00 0.00 174.62 175.08 1c50 s ASN 376 N 1.32 6.85 0.00 3.53 3.84 -0.83 -1.66 114.94 127.98 1c50 s ASN 376 Ca 0.04 1.01 0.06 0.00 0.21 0.00 0.00 52.86 54.17 1c50 s ASN 376 Cb -0.14 -2.29 -0.01 0.00 -0.55 0.00 0.00 41.25 38.25 1c50 s ASN 376 CO -0.04 0.21 0.44 1.41 -2.79 0.00 0.00 177.10 176.33 1c50 n HIS 377 N 2.36 0.00 -3.46 0.43 8.25 -1.26 -4.20 115.22 117.34 1c50 n HIS 377 Ca -0.11 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.25 1c50 n HIS 377 Cb 0.52 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.61 1c50 n HIS 377 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1c50 s THR 378 N -1.08 0.00 -0.15 1.59 -1.32 -1.26 -4.54 115.64 108.88 1c50 s THR 378 Ca 0.04 -0.04 0.02 0.00 -1.21 0.00 0.00 61.69 60.50 1c50 s THR 378 Cb 0.05 -1.04 -0.01 0.00 -1.51 0.00 0.00 72.50 69.98 1c50 s THR 378 CO 0.16 0.00 0.25 1.33 -2.21 0.00 0.00 174.62 174.15 1c50 n VAL 379 N -0.35 0.00 -2.27 5.08 0.24 -1.26 -5.01 118.33 114.76 1c50 n VAL 379 Ca -0.14 -0.47 -0.42 0.00 -2.04 0.00 0.00 64.34 61.27 1c50 n VAL 379 Cb 0.64 1.02 -0.03 0.00 -1.47 0.00 0.00 33.84 33.99 1c50 n VAL 379 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1c50 s ILE 380 N -0.84 3.45 0.43 1.34 -4.36 -1.26 -4.92 121.20 115.05 1c50 s ILE 380 Ca 0.01 1.12 0.12 0.00 -0.26 0.00 0.00 60.65 61.65 1c50 s ILE 380 Cb 0.02 -3.72 0.31 0.00 1.25 0.00 0.00 42.46 40.32 1c50 s ILE 380 CO 0.06 0.13 2.01 1.55 0.24 0.00 0.00 174.94 178.93 1c50 h PRO 381 N 6.01 0.42 0.00 0.37 0.13 -1.98 -2.40 132.00 134.54 1c50 h PRO 381 Ca -0.43 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1c50 h PRO 381 Cb 1.21 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1c50 h PRO 381 CO 0.80 0.28 0.00 -0.85 -0.23 0.00 0.00 178.00 178.00 1c50 n GLU 382 N -4.47 0.32 0.00 0.86 0.00 -1.26 -2.45 120.64 113.64 1c50 n GLU 382 Ca 0.07 0.09 0.11 0.00 0.00 0.00 0.00 57.16 57.43 1c50 n GLU 382 Cb 0.27 -1.50 -0.13 0.00 0.00 0.00 0.00 31.44 30.08 1c50 n GLU 382 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1c50 n ALA 383 N -1.26 3.21 -1.89 -1.84 0.00 -0.90 -0.37 120.51 117.47 1c50 n ALA 383 Ca 0.10 -0.50 -0.42 0.00 0.00 0.00 0.00 53.44 52.62 1c50 n ALA 383 Cb 0.15 -0.80 -0.02 0.00 0.00 0.00 0.00 19.45 18.77 1c50 n ALA 383 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1c50 s LEU 384 N -4.24 4.38 -0.42 0.00 2.01 -1.02 -4.27 118.68 115.12 1c50 s LEU 384 Ca -0.03 2.66 -0.23 0.00 0.01 0.00 0.00 54.13 56.54 1c50 s LEU 384 Cb 0.14 -3.62 0.02 0.00 0.01 0.00 0.00 46.19 42.74 1c50 s LEU 384 CO 0.88 -0.74 0.80 -1.61 1.01 0.00 0.00 176.35 176.69 1c50 s GLU 385 N -0.03 3.56 -0.39 1.70 2.02 -1.26 -4.75 118.70 119.55 1c50 s GLU 385 Ca 0.62 0.08 0.02 0.00 0.02 0.00 0.00 54.97 55.71 1c50 s GLU 385 Cb -0.42 -3.89 0.12 0.00 0.10 0.00 0.00 34.13 30.04 1c50 s GLU 385 CO 0.41 -1.02 0.15 1.03 0.02 0.00 0.00 175.26 175.85 1c50 s ARG 386 N 3.26 1.25 -0.09 1.61 0.52 -1.26 -2.02 118.95 122.22 1c50 s ARG 386 Ca 0.31 -1.78 -0.28 0.00 -0.52 0.00 0.00 55.73 53.46 1c50 s ARG 386 Cb -0.12 -2.57 -0.02 0.00 0.52 0.00 0.00 34.95 32.76 1c50 s ARG 386 CO 0.21 -1.05 0.93 -1.58 0.02 0.00 0.00 175.30 173.83 1c50 s TRP 387 N 0.78 3.54 0.24 -0.53 0.52 -0.75 -4.72 118.94 118.01 1c50 s TRP 387 Ca 0.14 1.52 -0.32 0.00 0.02 0.00 0.00 56.10 57.46 1c50 s TRP 387 Cb -0.21 -3.10 -0.13 0.00 -1.15 0.00 0.00 33.47 28.88 1c50 s TRP 387 CO -0.09 -0.14 1.52 -2.30 0.02 0.00 0.00 176.95 175.95 1c50 n PRO 388 N 4.66 2.31 0.02 4.98 -0.02 -1.26 -0.88 135.00 144.80 1c50 n PRO 388 Ca 0.06 0.82 0.06 0.00 -2.02 0.00 0.00 63.50 62.42 1c50 n PRO 388 Cb 0.50 -2.56 0.46 0.00 -0.02 0.00 0.00 33.50 31.88 1c50 n PRO 388 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1c50 h VAL 389 N 3.32 1.06 0.00 -1.45 2.07 -1.66 -1.65 116.25 117.93 1c50 h VAL 389 Ca -0.45 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 66.87 1c50 h VAL 389 Cb 1.25 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1c50 h VAL 389 CO 0.81 0.09 -0.19 1.12 0.02 0.00 0.00 177.57 179.42 1c50 h HIS 390 N 0.47 0.00 0.04 1.57 2.07 -1.90 -0.52 115.15 116.89 1c50 h HIS 390 Ca 0.15 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.67 1c50 h HIS 390 Cb 0.04 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.02 1c50 h HIS 390 CO -0.00 0.19 -0.02 -0.07 -3.07 0.00 0.00 177.93 174.96 1c50 h LEU 391 N 0.00 -0.04 -1.56 6.12 3.38 -1.67 -2.83 115.31 118.71 1c50 h LEU 391 Ca -0.00 -0.57 -0.04 0.00 0.09 0.00 0.00 57.88 57.36 1c50 h LEU 391 Cb 0.49 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1c50 h LEU 391 CO 0.02 0.57 -0.16 -0.07 0.09 0.00 0.00 178.44 178.90 1c50 h LEU 392 N -0.69 0.08 -0.81 1.67 3.38 -1.44 -1.28 115.31 116.22 1c50 h LEU 392 Ca -0.01 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 1c50 h LEU 392 Cb 0.61 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1c50 h LEU 392 CO 0.01 0.24 -0.35 -0.08 0.09 0.00 0.00 178.44 178.35 1c50 h GLU 393 N 0.08 0.48 0.03 1.13 4.81 -1.11 0.74 114.58 120.74 1c50 h GLU 393 Ca 0.02 -0.22 -0.17 0.00 -0.13 0.00 0.00 59.36 58.86 1c50 h GLU 393 Cb 0.33 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 1c50 h GLU 393 CO 0.02 0.77 -0.90 1.15 -0.73 0.00 0.00 179.01 179.31 1c50 h THR 394 N 0.41 1.22 -0.01 0.32 2.02 -1.21 -3.32 112.91 112.33 1c50 h THR 394 Ca 0.05 -2.28 -0.03 0.00 0.77 0.00 0.00 66.41 64.91 1c50 h THR 394 Cb 0.81 2.70 0.00 0.00 -1.74 0.00 0.00 68.15 69.92 1c50 h THR 394 CO 0.07 0.50 -0.13 0.25 0.37 0.00 0.00 175.52 176.57 1c50 h LEU 395 N -0.84 0.13 -6.05 2.58 5.85 -1.32 -3.37 115.31 112.30 1c50 h LEU 395 Ca -0.23 -0.72 -0.57 0.00 0.84 0.00 0.00 57.88 57.20 1c50 h LEU 395 Cb 1.32 -0.04 -0.40 0.00 0.37 0.00 0.00 40.66 41.90 1c50 h LEU 395 CO -0.08 0.83 -0.87 0.18 -0.34 0.00 0.00 178.44 178.16 1c50 n LEU 396 N -4.62 1.95 -0.28 2.25 4.77 0.24 0.46 117.00 121.77 1c50 n LEU 396 Ca -0.09 -5.08 0.11 0.00 -0.03 0.00 0.00 56.01 50.92 1c50 n LEU 396 Cb 0.42 0.03 0.36 0.00 -2.33 0.00 0.00 43.42 41.89 1c50 n LEU 396 CO 0.37 2.09 1.22 1.55 -1.33 0.00 0.00 177.39 181.29 1c50 h PRO 397 N 3.97 0.72 -0.18 3.23 0.13 -1.62 -2.22 132.00 136.03 1c50 h PRO 397 Ca 0.13 -0.04 -0.18 0.00 -0.87 0.00 0.00 66.00 65.03 1c50 h PRO 397 Cb 0.77 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 31.74 1c50 h PRO 397 CO 0.64 0.47 -0.64 -0.09 -0.23 0.00 0.00 178.00 178.15 1c50 h ARG 398 N 0.74 0.64 -0.18 0.86 9.65 -1.91 -3.07 114.38 121.11 1c50 h ARG 398 Ca 0.45 -0.45 -0.06 0.00 -1.10 0.00 0.00 59.98 58.82 1c50 h ARG 398 Cb 0.68 0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.32 1c50 h ARG 398 CO -0.21 1.07 -0.16 0.45 2.80 0.00 0.00 179.97 183.91 1c50 h HIS 399 N 0.47 0.32 -0.43 2.20 3.86 -1.77 -2.23 115.15 117.56 1c50 h HIS 399 Ca -0.01 -0.04 -0.11 0.00 -1.16 0.00 0.00 60.37 59.04 1c50 h HIS 399 Cb 1.22 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 29.59 1c50 h HIS 399 CO 0.06 0.46 -0.17 1.25 0.86 0.00 0.00 177.93 180.39 1c50 h LEU 400 N 0.28 0.83 -0.49 2.43 6.46 -1.40 -0.78 115.31 122.64 1c50 h LEU 400 Ca 0.05 -0.28 -0.07 0.00 -0.12 0.00 0.00 57.88 57.46 1c50 h LEU 400 Cb 0.46 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.14 1c50 h LEU 400 CO 0.03 0.99 0.03 1.56 -0.62 0.00 0.00 178.44 180.44 1c50 h GLN 401 N 0.73 0.85 -0.62 1.25 4.20 -1.35 -1.76 115.11 118.41 1c50 h GLN 401 Ca 0.11 -0.25 -0.07 0.00 0.06 0.00 0.00 58.65 58.50 1c50 h GLN 401 Cb 0.68 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 1c50 h GLN 401 CO 0.05 0.87 0.11 0.82 -0.67 0.00 0.00 178.83 180.01 1c50 h ILE 402 N 0.71 1.26 -0.81 2.54 2.04 -1.22 -1.21 117.51 120.83 1c50 h ILE 402 Ca 0.14 -0.99 -0.04 0.00 1.00 0.00 0.00 64.86 64.98 1c50 h ILE 402 Cb 0.46 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 1c50 h ILE 402 CO 0.02 0.37 0.36 0.40 0.00 0.00 0.00 178.15 179.30 1c50 h ILE 403 N 0.94 1.26 -0.78 -0.67 2.04 -0.97 0.19 117.51 119.51 1c50 h ILE 403 Ca 0.19 -0.77 -0.05 0.00 1.00 0.00 0.00 64.86 65.23 1c50 h ILE 403 Cb 0.41 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 1c50 h ILE 403 CO 0.01 0.32 0.30 1.88 0.00 0.00 0.00 178.15 180.66 1c50 h TYR 404 N 1.16 1.20 -0.11 1.37 0.05 -0.90 0.47 116.97 120.21 1c50 h TYR 404 Ca 0.27 -0.10 -0.14 0.00 0.05 0.00 0.00 58.73 58.81 1c50 h TYR 404 Cb 0.16 -0.36 -0.01 0.00 1.01 0.00 0.00 36.73 37.54 1c50 h TYR 404 CO 0.02 0.91 -0.56 1.49 -1.05 0.00 0.00 178.16 178.97 1c50 h GLU 405 N 1.14 0.32 -0.32 4.88 4.57 -0.60 -0.68 114.58 123.90 1c50 h GLU 405 Ca 0.26 -0.21 -0.10 0.00 -1.18 0.00 0.00 59.36 58.14 1c50 h GLU 405 Cb 0.24 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 1c50 h GLU 405 CO -0.02 0.80 -0.18 0.82 -1.18 0.00 0.00 179.01 179.25 1c50 h ILE 406 N 0.25 1.29 -0.76 2.32 2.04 -0.14 -2.61 117.51 119.90 1c50 h ILE 406 Ca 0.00 -1.31 -0.02 0.00 1.00 0.00 0.00 64.86 64.54 1c50 h ILE 406 Cb 1.06 1.46 -0.04 0.00 -0.74 0.00 0.00 36.82 38.56 1c50 h ILE 406 CO 0.09 0.42 0.40 -1.13 0.00 0.00 0.00 178.15 177.93 1c50 h ASN 407 N 0.44 0.96 0.03 1.72 -1.24 -0.77 -1.28 115.58 115.45 1c50 h ASN 407 Ca 0.07 -0.11 0.01 0.00 0.71 0.00 0.00 56.30 56.98 1c50 h ASN 407 Cb 0.72 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 39.51 1c50 h ASN 407 CO 0.05 0.80 -0.08 -0.61 -1.29 0.00 0.00 177.43 176.30 1c50 h GLN 408 N 1.06 -0.14 -0.06 6.67 4.15 -1.02 -0.95 115.11 124.81 1c50 h GLN 408 Ca 0.27 0.01 -0.11 0.00 0.77 0.00 0.00 58.65 59.59 1c50 h GLN 408 Cb 0.06 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 1c50 h GLN 408 CO -0.04 -0.10 -0.46 0.00 -1.93 0.00 0.00 178.83 176.30 1c50 h ARG 409 N -0.15 0.14 -0.16 1.69 3.08 -1.32 -2.73 114.38 114.92 1c50 h ARG 409 Ca 0.02 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 1c50 h ARG 409 Cb 0.17 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 1c50 h ARG 409 CO -0.05 0.58 -0.23 0.35 -1.07 0.00 0.00 179.97 179.55 1c50 h PHE 410 N 0.11 0.53 0.00 3.04 3.57 -1.04 -2.76 116.94 120.40 1c50 h PHE 410 Ca 0.01 -0.18 0.00 0.00 3.53 0.00 0.00 57.97 61.33 1c50 h PHE 410 Cb 0.87 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.50 1c50 h PHE 410 CO 0.01 0.85 0.00 -0.07 -2.23 0.00 0.00 178.31 176.87 1c50 h LEU 411 N 0.06 0.00 -0.33 0.59 3.38 -1.16 -0.82 115.31 117.03 1c50 h LEU 411 Ca 0.02 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.80 1c50 h LEU 411 Cb 0.79 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1c50 h LEU 411 CO 0.05 0.00 -0.84 0.78 0.09 0.00 0.00 178.44 178.52 1c50 h ASN 412 N 0.00 0.20 -0.28 -0.43 -0.26 -1.35 -1.02 115.58 112.44 1c50 h ASN 412 Ca 0.00 -0.16 -0.07 0.00 -0.56 0.00 0.00 56.30 55.51 1c50 h ASN 412 Cb 0.39 -0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 37.58 1c50 h ASN 412 CO 0.00 0.95 -0.11 0.03 -1.06 0.00 0.00 177.43 177.24 1c50 h ARG 413 N 0.09 0.57 0.07 0.81 3.08 -0.89 -2.43 114.38 115.67 1c50 h ARG 413 Ca -0.03 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 59.78 1c50 h ARG 413 Cb 1.46 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.49 1c50 h ARG 413 CO 0.12 0.80 -0.03 0.28 -1.07 0.00 0.00 179.97 180.07 1c50 h VAL 414 N 0.32 1.00 -0.85 2.04 2.07 -1.25 -1.09 116.25 118.49 1c50 h VAL 414 Ca 0.07 -0.21 0.09 0.00 0.82 0.00 0.00 66.70 67.47 1c50 h VAL 414 Cb 0.61 1.13 -0.06 0.00 -1.52 0.00 0.00 31.29 31.46 1c50 h VAL 414 CO 0.04 0.05 0.55 0.00 0.02 0.00 0.00 177.57 178.23 1c50 h ALA 415 N 0.75 1.66 -0.24 1.67 0.00 -1.18 0.13 119.26 122.04 1c50 h ALA 415 Ca -0.01 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1c50 h ALA 415 Cb 0.15 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1c50 h ALA 415 CO 0.01 0.18 -0.05 0.00 0.00 0.00 0.00 179.25 179.40 1c50 h ALA 416 N 1.57 0.34 -0.18 0.00 0.00 -1.07 -2.59 119.26 117.32 1c50 h ALA 416 Ca 0.38 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 1c50 h ALA 416 Cb 0.36 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1c50 h ALA 416 CO -0.15 0.13 -0.42 0.00 0.00 0.00 0.00 179.25 178.81 1c50 h ALA 417 N 0.76 0.95 -2.25 0.00 0.00 -0.34 -3.35 119.26 115.03 1c50 h ALA 417 Ca 0.06 -0.43 -0.59 0.00 0.00 0.00 0.00 54.91 53.95 1c50 h ALA 417 Cb 0.51 -0.10 -0.40 0.00 0.00 0.00 0.00 17.79 17.80 1c50 h ALA 417 CO 0.02 0.63 -0.85 1.19 0.00 0.00 0.00 179.25 180.24 1c50 n PHE 418 N -4.02 1.30 -1.64 0.00 3.72 0.38 -5.09 117.46 112.11 1c50 n PHE 418 Ca -0.02 -3.81 -0.49 0.00 -0.05 0.00 0.00 57.45 53.08 1c50 n PHE 418 Cb 0.51 -0.36 -0.05 0.00 -0.94 0.00 0.00 39.48 38.64 1c50 n PHE 418 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1c50 n PRO 419 N 1.52 1.66 0.00 -1.08 -0.02 -0.98 -2.08 135.00 134.02 1c50 n PRO 419 Ca 0.25 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 1c50 n PRO 419 Cb 0.46 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 1c50 n PRO 419 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1c50 n GLY 420 N 3.12 2.84 3.11 -1.23 0.00 -1.26 -4.93 105.19 106.84 1c50 n GLY 420 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1c50 n GLY 420 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1c50 n ASP 421 N 0.00 3.30 0.26 1.61 -0.08 -0.88 -4.73 116.55 116.03 1c50 n ASP 421 Ca 0.00 -2.76 0.09 0.00 -1.51 0.00 0.00 54.79 50.61 1c50 n ASP 421 Cb 0.00 -1.44 0.67 0.00 2.34 0.00 0.00 41.12 42.69 1c50 n ASP 421 CO 0.00 0.00 0.00 1.62 0.12 0.00 0.00 177.20 178.94 1c50 h VAL 422 N 4.69 0.94 0.02 5.18 3.04 -1.92 -2.40 116.25 125.82 1c50 h VAL 422 Ca 0.44 -0.03 -0.23 0.00 -1.01 0.00 0.00 66.70 65.88 1c50 h VAL 422 Cb 0.72 1.02 -0.00 0.00 -2.01 0.00 0.00 31.29 31.02 1c50 h VAL 422 CO 1.78 0.01 -0.98 -0.78 -1.01 0.00 0.00 177.57 176.59 1c50 h ASP 423 N 0.00 0.45 -0.30 3.17 3.58 -2.00 -3.07 116.42 118.25 1c50 h ASP 423 Ca -0.00 -0.38 -0.02 0.00 0.42 0.00 0.00 57.03 57.05 1c50 h ASP 423 Cb 0.01 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 40.91 1c50 h ASP 423 CO 0.00 1.20 0.13 -0.09 -2.88 0.00 0.00 179.24 177.59 1c50 h ARG 424 N 0.17 0.50 0.17 0.28 2.43 -1.84 -1.88 114.38 114.21 1c50 h ARG 424 Ca -0.08 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.02 1c50 h ARG 424 Cb 1.63 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 31.08 1c50 h ARG 424 CO 0.16 0.43 -0.08 -0.07 -1.51 0.00 0.00 179.97 178.90 1c50 h LEU 425 N 0.50 -0.19 -0.96 3.80 4.07 -1.41 -1.56 115.31 119.56 1c50 h LEU 425 Ca 0.12 -0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.97 1c50 h LEU 425 Cb 0.13 0.05 -0.02 0.00 1.08 0.00 0.00 40.66 41.90 1c50 h LEU 425 CO -0.01 -0.13 -0.51 0.08 -1.08 0.00 0.00 178.44 176.79 1c50 h ARG 426 N -0.23 0.00 -0.27 1.13 -0.00 -1.46 -2.69 114.38 110.85 1c50 h ARG 426 Ca -0.02 0.00 -0.15 0.00 -0.00 0.00 0.00 59.98 59.81 1c50 h ARG 426 Cb 0.18 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.14 1c50 h ARG 426 CO 0.04 0.51 -0.43 0.00 -0.00 0.00 0.00 179.97 180.09 1c50 h ARG 427 N 0.00 0.67 0.00 0.08 3.08 -1.17 -3.18 114.38 113.86 1c50 h ARG 427 Ca -0.01 -0.36 0.00 0.00 0.07 0.00 0.00 59.98 59.68 1c50 h ARG 427 Cb 0.92 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.99 1c50 h ARG 427 CO 0.07 0.97 -0.28 -1.33 -1.07 0.00 0.00 179.97 178.32 1c50 n MET 428 N -4.02 0.03 -1.67 0.04 2.81 -0.60 -4.95 117.12 108.75 1c50 n MET 428 Ca -0.02 0.01 -0.41 0.00 -1.81 0.00 0.00 57.70 55.47 1c50 n MET 428 Cb 0.55 -1.52 0.01 0.00 -0.71 0.00 0.00 33.22 31.55 1c50 n MET 428 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1c50 n SER 429 N -1.56 2.16 0.16 7.83 2.88 -1.02 -4.87 113.62 119.20 1c50 n SER 429 Ca 0.06 1.09 0.13 0.00 -1.33 0.00 0.00 58.87 58.82 1c50 n SER 429 Cb 0.35 -1.46 0.34 0.00 -0.75 0.00 0.00 64.21 62.69 1c50 n SER 429 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1c50 h LEU 430 N 1.91 0.00 -8.41 2.46 3.38 -1.91 -3.42 115.31 109.31 1c50 h LEU 430 Ca -0.47 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 56.83 1c50 h LEU 430 Cb 1.31 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.80 1c50 h LEU 430 CO 0.59 0.00 -0.61 -0.69 0.09 0.00 0.00 178.44 177.82 1c50 s VAL 431 N -3.20 4.06 -0.22 1.22 1.01 -1.26 0.08 120.40 122.09 1c50 s VAL 431 Ca 0.08 -0.65 -0.17 0.00 0.00 0.00 0.00 61.98 61.24 1c50 s VAL 431 Cb 0.09 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 1c50 s VAL 431 CO 0.61 0.08 0.46 -1.61 0.00 0.00 0.00 175.10 174.63 1c50 s GLU 432 N 1.52 4.15 0.84 2.72 2.02 -0.30 -4.95 118.70 124.70 1c50 s GLU 432 Ca 0.03 0.28 -0.12 0.00 0.02 0.00 0.00 54.97 55.18 1c50 s GLU 432 Cb -0.17 -3.58 0.13 0.00 0.10 0.00 0.00 34.13 30.61 1c50 s GLU 432 CO 0.03 -0.15 1.19 -2.00 0.02 0.00 0.00 175.26 174.35 1c50 s GLU 433 N 1.66 1.45 0.00 1.61 2.56 -1.26 -2.10 118.70 122.62 1c50 s GLU 433 Ca 0.21 -0.28 0.00 0.00 0.00 0.00 0.00 54.97 54.90 1c50 s GLU 433 Cb -0.15 -1.99 0.00 0.00 2.00 0.00 0.00 34.13 33.99 1c50 s GLU 433 CO 0.09 -1.85 0.00 0.41 -0.56 0.00 0.00 175.26 173.35 1c50 n GLY 434 N -3.38 0.52 0.00 -1.50 0.00 -1.26 -4.88 105.19 94.69 1c50 n GLY 434 Ca 0.12 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.31 1c50 n GLY 434 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c50 n ALA 435 N -1.00 -0.08 -2.35 4.61 0.00 -1.26 -4.45 120.51 115.98 1c50 n ALA 435 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1c50 n ALA 435 Cb 0.00 0.41 -0.15 0.00 0.00 0.00 0.00 19.45 19.71 1c50 n ALA 435 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1c50 s VAL 436 N -2.91 2.03 0.50 0.00 -7.23 -1.26 -5.11 120.40 106.43 1c50 s VAL 436 Ca 0.00 -1.26 -0.21 0.00 -1.81 0.00 0.00 61.98 58.70 1c50 s VAL 436 Cb 0.00 -1.72 -0.07 0.00 0.56 0.00 0.00 36.38 35.15 1c50 s VAL 436 CO 0.00 0.42 1.13 -0.54 -0.31 0.00 0.00 175.10 175.80 1c50 s LYS 437 N -1.01 3.58 0.14 4.82 1.02 -1.26 -4.81 119.74 122.22 1c50 s LYS 437 Ca 0.11 1.64 -0.05 0.00 0.02 0.00 0.00 55.97 57.69 1c50 s LYS 437 Cb -0.10 -2.17 -0.03 0.00 -0.52 0.00 0.00 37.83 35.01 1c50 s LYS 437 CO 0.01 -0.67 0.15 1.03 -0.92 0.00 0.00 175.35 174.95 1c50 s ARG 438 N -3.04 1.01 -0.15 1.68 0.52 -0.89 -1.74 118.95 116.34 1c50 s ARG 438 Ca 0.68 -1.31 -0.02 0.00 -0.52 0.00 0.00 55.73 54.56 1c50 s ARG 438 Cb -0.25 0.30 -0.02 0.00 0.52 0.00 0.00 34.95 35.50 1c50 s ARG 438 CO 0.29 -0.32 -0.07 0.42 0.02 0.00 0.00 175.30 175.63 1c50 s ILE 439 N -4.01 3.56 -0.58 1.52 -1.09 -0.06 -1.15 121.20 119.39 1c50 s ILE 439 Ca 0.20 -0.48 -0.21 0.00 -2.23 0.00 0.00 60.65 57.93 1c50 s ILE 439 Cb 0.06 -2.54 0.07 0.00 -1.58 0.00 0.00 42.46 38.46 1c50 s ILE 439 CO 0.00 0.50 0.82 0.21 -1.23 0.00 0.00 174.94 175.24 1c50 s ASN 440 N 0.38 6.22 0.49 3.58 3.84 0.11 -1.81 114.94 127.75 1c50 s ASN 440 Ca -0.07 -0.94 0.14 0.00 0.21 0.00 0.00 52.86 52.21 1c50 s ASN 440 Cb -0.15 -2.36 1.17 0.00 -0.55 0.00 0.00 41.25 39.36 1c50 s ASN 440 CO 0.04 -1.19 2.11 0.24 -2.79 0.00 0.00 177.10 175.52 1c50 h MET 441 N 9.29 0.08 -0.39 0.43 2.86 -1.71 -2.25 114.93 123.24 1c50 h MET 441 Ca -0.28 -0.01 -0.11 0.00 -2.06 0.00 0.00 59.70 57.24 1c50 h MET 441 Cb 1.08 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.71 1c50 h MET 441 CO 1.09 0.08 -0.20 0.00 1.06 0.00 0.00 176.91 178.94 1c50 h ALA 442 N 1.94 0.91 -0.19 6.32 0.00 -1.91 -1.34 119.26 124.98 1c50 h ALA 442 Ca 0.02 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.46 1c50 h ALA 442 Cb 0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1c50 h ALA 442 CO -0.00 0.62 -0.38 0.45 0.00 0.00 0.00 179.25 179.94 1c50 h HIS 443 N 0.67 0.50 -0.17 0.00 3.86 -1.79 -2.24 115.15 115.99 1c50 h HIS 443 Ca 0.10 -0.14 -0.01 0.00 -1.16 0.00 0.00 60.37 59.16 1c50 h HIS 443 Cb 0.70 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 29.05 1c50 h HIS 443 CO 0.04 0.75 0.06 1.25 0.86 0.00 0.00 177.93 180.88 1c50 h LEU 444 N 0.36 0.25 -1.14 2.43 6.46 -1.12 -2.33 115.31 120.23 1c50 h LEU 444 Ca 0.04 -0.20 -0.02 0.00 -0.12 0.00 0.00 57.88 57.57 1c50 h LEU 444 Cb 0.83 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 40.67 1c50 h LEU 444 CO 0.07 0.38 0.29 0.00 -0.62 0.00 0.00 178.44 178.56 1c50 h ILE 446 N 0.90 1.29 -0.41 0.00 2.04 -1.31 -2.68 117.51 117.34 1c50 h ILE 446 Ca 0.22 -0.93 -0.02 0.00 1.00 0.00 0.00 64.86 65.13 1c50 h ILE 446 Cb 0.11 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 1c50 h ILE 446 CO -0.03 0.26 0.16 0.00 0.00 0.00 0.00 178.15 178.55 1c50 h ALA 447 N 0.68 1.52 -0.50 1.87 0.00 -1.20 -3.10 119.26 118.52 1c50 h ALA 447 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1c50 h ALA 447 Cb 0.42 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1c50 h ALA 447 CO 0.01 0.37 0.00 0.41 0.00 0.00 0.00 179.25 180.04 1c50 n GLY 448 N -1.18 3.21 3.20 0.00 0.00 -0.54 -4.95 105.19 104.92 1c50 n GLY 448 Ca 0.03 -0.92 -0.21 0.00 0.00 0.00 0.00 46.02 44.92 1c50 n GLY 448 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1c50 s SER 449 N -1.11 1.98 0.00 1.61 0.01 -1.01 -3.93 113.70 111.25 1c50 s SER 449 Ca 0.50 -0.59 0.27 0.00 1.31 0.00 0.00 55.95 57.44 1c50 s SER 449 Cb 0.37 -0.10 0.95 0.00 0.21 0.00 0.00 66.02 67.45 1c50 s SER 449 CO 0.16 0.00 1.69 0.00 0.41 0.00 0.00 173.24 175.50 1c50 n HIS 450 N 1.40 0.00 -3.71 2.43 1.44 -0.39 -4.86 115.22 111.54 1c50 n HIS 450 Ca -0.20 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.38 1c50 n HIS 450 Cb 0.54 -0.17 -0.09 0.00 0.12 0.00 0.00 29.99 30.39 1c50 n HIS 450 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1c50 s ALA 451 N -2.55 -1.13 -0.04 1.59 0.00 -1.26 -4.59 121.76 113.78 1c50 s ALA 451 Ca 0.25 1.17 0.01 0.00 0.00 0.00 0.00 51.96 53.39 1c50 s ALA 451 Cb 0.19 -0.60 0.02 0.00 0.00 0.00 0.00 23.12 22.73 1c50 s ALA 451 CO 0.52 -0.23 -0.04 0.08 0.00 0.00 0.00 175.76 176.08 1c50 s VAL 452 N -0.05 0.49 0.10 0.00 1.01 0.17 -0.96 120.40 121.16 1c50 s VAL 452 Ca -0.02 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 61.87 1c50 s VAL 452 Cb -0.03 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 1c50 s VAL 452 CO 0.02 0.21 -0.09 0.54 0.00 0.00 0.00 175.10 175.77 1c50 s ASN 453 N 0.82 1.40 0.51 3.32 4.22 -0.93 -0.64 114.94 123.64 1c50 s ASN 453 Ca -0.11 -0.88 0.06 0.00 -2.14 0.00 0.00 52.86 49.79 1c50 s ASN 453 Cb -0.14 0.03 0.04 0.00 1.28 0.00 0.00 41.25 42.46 1c50 s ASN 453 CO 0.00 -0.32 0.70 -0.83 -2.04 0.00 0.00 177.10 174.61 1c50 s GLY 454 N -2.68 1.86 0.00 0.45 0.00 -0.99 -1.97 107.32 103.99 1c50 s GLY 454 Ca 0.08 -1.70 0.15 0.00 0.00 0.00 0.00 44.72 43.25 1c50 s GLY 454 CO -0.01 -1.40 1.20 3.33 0.00 0.00 0.00 173.10 176.22 1c50 n VAL 455 N -2.14 0.60 -3.53 1.40 0.24 -1.26 -2.11 118.33 111.53 1c50 n VAL 455 Ca 0.10 -0.80 -0.15 0.00 -2.04 0.00 0.00 64.34 61.46 1c50 n VAL 455 Cb 0.60 0.83 -0.05 0.00 -1.47 0.00 0.00 33.84 33.75 1c50 n VAL 455 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1c50 s ALA 456 N -1.11 -1.81 0.18 2.33 0.00 -1.26 -0.88 121.76 119.21 1c50 s ALA 456 Ca 0.26 1.32 -0.15 0.00 0.00 0.00 0.00 51.96 53.39 1c50 s ALA 456 Cb 0.15 -0.12 0.16 0.00 0.00 0.00 0.00 23.12 23.31 1c50 s ALA 456 CO 0.21 -0.40 1.66 -0.09 0.00 0.00 0.00 175.76 177.14 1c50 h ARG 457 N 2.73 0.03 -0.59 0.00 2.43 -1.90 0.10 114.38 117.19 1c50 h ARG 457 Ca -0.25 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.88 1c50 h ARG 457 Cb 1.17 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.68 1c50 h ARG 457 CO 0.36 0.02 0.22 0.97 -1.51 0.00 0.00 179.97 180.03 1c50 h ILE 458 N 0.04 1.23 -0.61 1.20 2.10 -1.90 -2.03 117.51 117.54 1c50 h ILE 458 Ca 0.24 -0.74 -0.05 0.00 1.08 0.00 0.00 64.86 65.39 1c50 h ILE 458 Cb 0.36 0.61 -0.03 0.00 -1.09 0.00 0.00 36.82 36.68 1c50 h ILE 458 CO -0.47 0.29 0.19 -0.74 -1.08 0.00 0.00 178.15 176.33 1c50 h HIS 459 N 0.82 0.98 -0.25 2.19 2.76 -1.64 -0.97 115.15 119.04 1c50 h HIS 459 Ca 0.19 -0.10 -0.05 0.00 -2.20 0.00 0.00 60.37 58.21 1c50 h HIS 459 Cb 0.23 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 28.89 1c50 h HIS 459 CO 0.01 0.81 -0.08 0.77 -1.30 0.00 0.00 177.93 178.14 1c50 h SER 460 N 0.87 0.37 -0.03 3.26 0.02 -0.77 -0.76 113.55 116.50 1c50 h SER 460 Ca 0.20 -0.08 -0.24 0.00 -0.84 0.00 0.00 61.79 60.83 1c50 h SER 460 Cb 0.29 -0.10 0.01 0.00 0.14 0.00 0.00 62.40 62.75 1c50 h SER 460 CO -0.01 0.49 -0.90 -0.33 -1.14 0.00 0.00 176.83 174.94 1c50 h GLU 461 N 0.37 0.71 -0.64 3.45 4.39 -1.07 -2.97 114.58 118.81 1c50 h GLU 461 Ca 0.08 -0.67 0.01 0.00 0.34 0.00 0.00 59.36 59.12 1c50 h GLU 461 Cb 0.38 0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.16 1c50 h GLU 461 CO 0.02 1.26 0.42 0.82 -1.16 0.00 0.00 179.01 180.37 1c50 h ILE 462 N 0.44 1.17 -0.35 3.13 2.04 -0.59 0.17 117.51 123.52 1c50 h ILE 462 Ca -0.09 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 1c50 h ILE 462 Cb 1.54 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 1c50 h ILE 462 CO 0.18 0.16 0.17 -0.07 0.00 0.00 0.00 178.15 178.59 1c50 h LEU 463 N 0.87 0.46 -0.56 1.44 3.38 -1.07 0.28 115.31 120.11 1c50 h LEU 463 Ca 0.24 -0.13 -0.16 0.00 0.09 0.00 0.00 57.88 57.92 1c50 h LEU 463 Cb -0.10 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1c50 h LEU 463 CO -0.05 0.46 -0.56 0.11 0.09 0.00 0.00 178.44 178.49 1c50 h LYS 464 N 0.43 0.48 0.04 1.13 1.57 -1.28 0.50 116.57 119.44 1c50 h LYS 464 Ca 0.12 -0.30 -0.26 0.00 -1.87 0.00 0.00 60.65 58.34 1c50 h LYS 464 Cb 0.12 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1c50 h LYS 464 CO -0.01 0.91 -1.29 0.87 -0.57 0.00 0.00 179.45 179.35 1c50 h LYS 465 N 0.36 0.09 0.00 3.15 1.57 -0.87 -3.31 116.57 117.57 1c50 h LYS 465 Ca 0.00 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1c50 h LYS 465 Cb 1.09 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1c50 h LYS 465 CO 0.10 0.96 0.00 2.41 -0.57 0.00 0.00 179.45 182.35 1c50 n THR 466 N -3.34 0.00 -0.22 -0.16 -1.04 0.98 -4.71 114.28 105.78 1c50 n THR 466 Ca -0.08 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 61.97 1c50 n THR 466 Cb 1.00 0.00 0.09 0.00 -1.82 0.00 0.00 70.33 69.59 1c50 n THR 466 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1c50 n ILE 467 N 0.00 -0.26 -1.62 12.58 0.13 -1.25 -1.32 119.36 127.62 1c50 n ILE 467 Ca 0.00 1.43 -0.06 0.00 -1.10 0.00 0.00 62.75 63.02 1c50 n ILE 467 Cb 0.00 -1.98 0.16 0.00 -0.84 0.00 0.00 39.64 36.99 1c50 n ILE 467 CO 0.00 0.00 0.00 0.49 2.80 0.00 0.00 176.55 179.84 1c50 n PHE 468 N -5.01 1.12 -0.09 9.51 3.72 0.16 -4.80 117.46 122.07 1c50 n PHE 468 Ca 0.10 -1.76 -0.06 0.00 -0.05 0.00 0.00 57.45 55.68 1c50 n PHE 468 Cb 0.31 -0.42 0.00 0.00 -0.94 0.00 0.00 39.48 38.44 1c50 n PHE 468 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1c50 h LYS 469 N 1.28 0.07 -0.85 -1.08 3.64 -1.23 -0.50 116.57 117.90 1c50 h LYS 469 Ca 0.19 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.63 1c50 h LYS 469 Cb 1.36 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 33.11 1c50 h LYS 469 CO 0.38 0.05 0.55 -0.44 -2.27 0.00 0.00 179.45 177.71 1c50 h ASP 470 N 0.07 0.82 0.00 4.20 3.32 -1.87 -1.11 116.42 121.85 1c50 h ASP 470 Ca 0.15 0.01 -0.21 0.00 0.02 0.00 0.00 57.03 57.01 1c50 h ASP 470 Cb 0.22 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1c50 h ASP 470 CO -0.28 0.52 -0.75 -0.26 -1.72 0.00 0.00 179.24 176.75 1c50 h PHE 471 N 0.92 0.87 -0.29 4.55 -1.00 -1.77 -2.52 116.94 117.71 1c50 h PHE 471 Ca 0.37 -0.38 -0.07 0.00 2.81 0.00 0.00 57.97 60.70 1c50 h PHE 471 Cb 0.24 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 39.65 1c50 h PHE 471 CO -0.00 1.18 -0.10 -0.92 -1.61 0.00 0.00 178.31 176.86 1c50 h TYR 472 N 0.44 0.50 -0.12 -0.55 3.20 -0.54 0.13 116.97 120.04 1c50 h TYR 472 Ca -0.04 -0.07 -0.16 0.00 3.14 0.00 0.00 58.73 61.59 1c50 h TYR 472 Cb 1.36 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.48 1c50 h TYR 472 CO 0.07 0.57 -0.62 0.93 -1.64 0.00 0.00 178.16 177.47 1c50 h GLU 473 N 0.44 0.43 0.03 1.82 5.08 -1.15 -1.97 114.58 119.26 1c50 h GLU 473 Ca 0.09 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1c50 h GLU 473 Cb 0.45 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1c50 h GLU 473 CO 0.03 0.91 -0.02 1.25 -1.00 0.00 0.00 179.01 180.18 1c50 h LEU 474 N 0.31 -0.04 -6.56 1.33 6.46 -0.98 -3.41 115.31 112.43 1c50 h LEU 474 Ca -0.01 -0.57 -0.60 0.00 -0.12 0.00 0.00 57.88 56.58 1c50 h LEU 474 Cb 1.16 0.01 -0.39 0.00 -0.73 0.00 0.00 40.66 40.71 1c50 h LEU 474 CO 0.11 0.57 -0.87 -1.61 -0.62 0.00 0.00 178.44 176.02 1c50 s GLU 475 N -3.66 1.21 0.41 1.25 2.02 0.42 -4.98 118.70 115.37 1c50 s GLU 475 Ca -0.16 -2.29 0.09 0.00 0.02 0.00 0.00 54.97 52.62 1c50 s GLU 475 Cb 0.00 -1.86 0.87 0.00 0.10 0.00 0.00 34.13 33.24 1c50 s GLU 475 CO 0.64 -1.34 2.00 -1.00 0.02 0.00 0.00 175.26 175.58 1c50 h PRO 476 N 5.75 0.36 0.00 0.39 0.13 -1.56 -2.88 132.00 134.19 1c50 h PRO 476 Ca 0.21 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1c50 h PRO 476 Cb 0.88 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1c50 h PRO 476 CO 0.44 0.33 0.00 1.12 -0.23 0.00 0.00 178.00 179.66 1c50 h HIS 477 N 0.36 0.00 -0.02 1.56 2.07 -1.94 -2.93 115.15 114.25 1c50 h HIS 477 Ca 0.09 0.00 -0.19 0.00 -2.85 0.00 0.00 60.37 57.42 1c50 h HIS 477 Cb 0.14 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.11 1c50 h HIS 477 CO 0.00 0.00 -0.81 0.87 -3.07 0.00 0.00 177.93 174.92 1c50 h LYS 478 N 0.00 0.26 -6.15 5.12 1.57 -1.76 -3.45 116.57 112.16 1c50 h LYS 478 Ca 0.00 -0.25 -0.56 0.00 -1.87 0.00 0.00 60.65 57.97 1c50 h LYS 478 Cb 0.12 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.45 1c50 h LYS 478 CO 0.00 0.94 0.33 -0.06 -0.57 0.00 0.00 179.45 180.09 1c50 s PHE 479 N -3.38 3.54 0.33 -1.35 0.40 -1.11 -0.66 117.98 115.76 1c50 s PHE 479 Ca -0.04 1.43 0.06 0.00 -0.60 0.00 0.00 56.93 57.78 1c50 s PHE 479 Cb 0.10 -3.02 -0.02 0.00 0.51 0.00 0.00 43.02 40.60 1c50 s PHE 479 CO 0.83 -0.09 0.21 1.04 0.70 0.00 0.00 175.22 177.91 1c50 n GLN 480 N 4.43 0.46 -4.29 0.44 6.02 0.19 -4.96 117.38 119.67 1c50 n GLN 480 Ca 0.04 -3.06 -0.18 0.00 -0.01 0.00 0.00 57.00 53.79 1c50 n GLN 480 Cb 0.50 2.18 -0.13 0.00 1.02 0.00 0.00 30.24 33.81 1c50 n GLN 480 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1c50 s ASN 481 N -3.17 1.39 -0.36 1.08 3.84 -1.26 -2.35 114.94 114.10 1c50 s ASN 481 Ca 0.29 -0.41 0.03 0.00 0.21 0.00 0.00 52.86 52.98 1c50 s ASN 481 Cb 0.01 -0.08 0.15 0.00 -0.55 0.00 0.00 41.25 40.79 1c50 s ASN 481 CO 0.21 0.00 0.35 -0.54 -2.79 0.00 0.00 177.10 174.34 1c50 s LYS 482 N -1.04 0.61 0.24 0.43 -0.14 -0.90 -4.89 119.74 114.05 1c50 s LYS 482 Ca -0.00 -0.86 -0.31 0.00 -1.36 0.00 0.00 55.97 53.44 1c50 s LYS 482 Cb -0.07 -0.78 -0.11 0.00 -1.68 0.00 0.00 37.83 35.18 1c50 s LYS 482 CO 0.01 -1.19 1.65 0.99 -0.76 0.00 0.00 175.35 176.05 1c50 s THR 483 N 1.46 2.13 1.25 2.17 2.01 -1.25 -4.22 115.64 119.18 1c50 s THR 483 Ca 0.16 0.10 -0.15 0.00 0.31 0.00 0.00 61.69 62.11 1c50 s THR 483 Cb -0.16 -3.06 0.31 0.00 0.01 0.00 0.00 72.50 69.59 1c50 s THR 483 CO -0.05 0.01 0.90 0.59 -0.69 0.00 0.00 174.62 175.38 1c50 n ASN 484 N 3.26 -2.36 -3.79 3.53 5.03 -0.06 -4.64 115.26 116.23 1c50 n ASN 484 Ca 0.12 -0.33 -0.07 0.00 0.87 0.00 0.00 54.58 55.18 1c50 n ASN 484 Cb 0.37 -1.18 -0.02 0.00 -1.02 0.00 0.00 39.78 37.93 1c50 n ASN 484 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1c50 s GLY 485 N -2.45 -0.18 0.26 7.41 0.00 -1.26 -4.81 107.32 106.30 1c50 s GLY 485 Ca 0.67 -0.10 0.09 0.00 0.00 0.00 0.00 44.72 45.38 1c50 s GLY 485 CO 0.64 -0.04 -0.14 -0.26 0.00 0.00 0.00 173.10 173.31 1c50 s ILE 486 N -3.73 2.03 -0.15 0.90 -4.36 -0.19 -4.40 121.20 111.30 1c50 s ILE 486 Ca 0.10 -2.26 -0.21 0.00 -0.26 0.00 0.00 60.65 58.02 1c50 s ILE 486 Cb -0.04 -2.28 -0.03 0.00 1.25 0.00 0.00 42.46 41.35 1c50 s ILE 486 CO 0.04 -0.42 0.64 0.28 0.24 0.00 0.00 174.94 175.72 1c50 s THR 487 N -2.78 5.04 -0.20 8.37 -1.32 -1.26 0.04 115.64 123.52 1c50 s THR 487 Ca 0.28 1.25 0.27 0.00 -1.21 0.00 0.00 61.69 62.28 1c50 s THR 487 Cb -0.01 -3.97 0.29 0.00 -1.51 0.00 0.00 72.50 67.31 1c50 s THR 487 CO 0.12 0.16 1.82 1.55 -2.21 0.00 0.00 174.62 176.06 1c50 h PRO 488 N 7.20 0.00 0.63 7.08 0.13 -1.92 -1.79 132.00 143.34 1c50 h PRO 488 Ca -0.35 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.75 1c50 h PRO 488 Cb 1.16 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.30 1c50 h PRO 488 CO 0.77 0.00 -0.30 0.00 -0.23 0.00 0.00 178.00 178.24 1c50 h ARG 489 N 0.00 -0.82 -0.03 0.86 -0.00 -1.92 -2.26 114.38 110.21 1c50 h ARG 489 Ca 0.00 0.06 -0.22 0.00 -0.50 0.00 0.00 59.98 59.31 1c50 h ARG 489 Cb 0.30 0.19 0.00 0.00 0.00 0.00 0.00 29.97 30.46 1c50 h ARG 489 CO 0.00 -0.54 -0.90 -0.09 0.00 0.00 0.00 179.97 178.44 1c50 h ARG 490 N -1.22 0.48 -0.50 0.04 2.43 -1.97 -0.23 114.38 113.41 1c50 h ARG 490 Ca -0.09 -0.48 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 1c50 h ARG 490 Cb 0.65 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 1c50 h ARG 490 CO 0.14 1.12 0.00 0.91 -1.51 0.00 0.00 179.97 180.63 1c50 n TRP 491 N -3.79 0.62 0.00 2.20 7.02 -0.67 -3.08 117.44 119.73 1c50 n TRP 491 Ca -0.07 -0.26 0.00 0.00 -1.02 0.00 0.00 57.50 56.15 1c50 n TRP 491 Cb 0.81 -0.10 0.00 0.00 -2.42 0.00 0.00 31.31 29.60 1c50 n TRP 491 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 1c50 n LEU 492 N 0.42 0.00 -0.26 -0.99 7.94 -0.88 -4.80 117.00 118.43 1c50 n LEU 492 Ca 0.12 0.00 0.01 0.00 -1.11 0.00 0.00 56.01 55.03 1c50 n LEU 492 Cb 0.42 0.09 0.14 0.00 0.53 0.00 0.00 43.42 44.60 1c50 n LEU 492 CO 0.10 -0.22 1.10 0.58 -1.11 0.00 0.00 177.39 177.84 1c50 h VAL 493 N 0.00 0.90 0.07 1.96 2.07 -1.32 0.58 116.25 120.51 1c50 h VAL 493 Ca 0.00 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 1c50 h VAL 493 Cb 0.00 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 1c50 h VAL 493 CO 0.00 0.13 -0.03 0.25 0.02 0.00 0.00 177.57 177.93 1c50 h LEU 494 N 0.70 -0.08 0.00 2.57 6.46 -1.19 -3.22 115.31 120.54 1c50 h LEU 494 Ca 0.35 -0.53 -0.05 0.00 -0.12 0.00 0.00 57.88 57.54 1c50 h LEU 494 Cb 0.31 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.26 1c50 h LEU 494 CO -0.24 0.54 -0.65 0.00 -0.62 0.00 0.00 178.44 177.47 1c50 n ASN 496 N -2.95 1.85 -0.16 0.00 2.85 0.20 -4.89 115.26 112.16 1c50 n ASN 496 Ca 0.00 -3.13 0.04 0.00 -0.11 0.00 0.00 54.58 51.38 1c50 n ASN 496 Cb 0.62 -0.62 0.33 0.00 1.24 0.00 0.00 39.78 41.35 1c50 n ASN 496 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1c50 h PRO 497 N 3.41 0.79 0.27 1.20 0.13 -1.64 -1.57 132.00 134.60 1c50 h PRO 497 Ca 0.11 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 65.18 1c50 h PRO 497 Cb 0.80 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.76 1c50 h PRO 497 CO 0.61 0.52 -0.14 0.78 -0.23 0.00 0.00 178.00 179.54 1c50 h GLY 498 N 0.81 -0.40 1.88 1.56 0.00 -1.91 0.11 103.07 105.13 1c50 h GLY 498 Ca 0.27 0.15 -0.07 0.00 0.00 0.00 0.00 47.33 47.69 1c50 h GLY 498 CO -0.08 -0.15 -0.27 -2.00 0.00 0.00 0.00 176.54 174.05 1c50 h LEU 499 N -0.38 0.14 -0.83 3.11 5.85 -1.88 -2.32 115.31 118.99 1c50 h LEU 499 Ca -0.03 -0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.53 1c50 h LEU 499 Cb 0.30 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1c50 h LEU 499 CO 0.05 0.41 -0.35 0.00 -0.34 0.00 0.00 178.44 178.22 1c50 h ALA 500 N 1.60 1.00 0.32 1.25 0.00 -0.81 -2.81 119.26 119.81 1c50 h ALA 500 Ca 0.02 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1c50 h ALA 500 Cb 0.55 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1c50 h ALA 500 CO 0.04 0.60 -0.15 1.49 0.00 0.00 0.00 179.25 181.23 1c50 h GLU 501 N 0.39 -0.41 -0.01 0.00 4.57 -0.27 -1.99 114.58 116.86 1c50 h GLU 501 Ca 0.04 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1c50 h GLU 501 Cb 0.80 0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.48 1c50 h GLU 501 CO 0.06 -0.08 0.01 -0.84 -1.18 0.00 0.00 179.01 176.98 1c50 h ILE 502 N -0.84 0.47 0.08 2.32 3.07 -1.50 0.25 117.51 121.36 1c50 h ILE 502 Ca -0.04 0.00 -0.20 0.00 1.55 0.00 0.00 64.86 66.16 1c50 h ILE 502 Cb 0.52 0.99 0.02 0.00 -0.27 0.00 0.00 36.82 38.08 1c50 h ILE 502 CO 0.07 0.00 -0.85 0.40 -1.05 0.00 0.00 178.15 176.72 1c50 h ILE 503 N 0.00 1.42 -0.08 0.16 2.04 -1.48 -3.28 117.51 116.29 1c50 h ILE 503 Ca 0.00 -2.34 -0.09 0.00 1.00 0.00 0.00 64.86 63.44 1c50 h ILE 503 Cb 0.03 2.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.93 1c50 h ILE 503 CO -0.00 0.68 -0.37 0.00 0.00 0.00 0.00 178.15 178.46 1c50 h ALA 504 N 0.23 1.23 -0.61 1.87 0.00 -0.32 -0.30 119.26 121.37 1c50 h ALA 504 Ca -0.13 -0.37 0.07 0.00 0.00 0.00 0.00 54.91 54.48 1c50 h ALA 504 Cb 1.59 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.26 1c50 h ALA 504 CO 0.16 0.53 0.41 0.93 0.00 0.00 0.00 179.25 181.28 1c50 h GLU 505 N 0.13 0.55 0.04 0.00 5.08 -0.64 -1.19 114.58 118.55 1c50 h GLU 505 Ca 0.01 -0.03 -0.36 0.00 -1.00 0.00 0.00 59.36 57.98 1c50 h GLU 505 Cb 0.73 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 1c50 h GLU 505 CO 0.05 0.36 -2.02 0.54 -1.00 0.00 0.00 179.01 176.94 1c50 n ARG 506 N -4.48 0.65 -0.03 2.33 5.12 -0.97 -4.73 116.66 114.56 1c50 n ARG 506 Ca 0.09 0.32 0.05 0.00 -1.93 0.00 0.00 57.85 56.38 1c50 n ARG 506 Cb 0.26 -1.63 0.06 0.00 -1.16 0.00 0.00 32.46 29.98 1c50 n ARG 506 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 1c50 n ILE 507 N -3.84 0.19 -0.07 0.55 -5.35 -0.16 -5.12 119.36 105.56 1c50 n ILE 507 Ca -0.40 -0.60 0.00 0.00 -0.27 0.00 0.00 62.75 61.49 1c50 n ILE 507 Cb 0.91 1.06 0.00 0.00 -1.74 0.00 0.00 39.64 39.87 1c50 n ILE 507 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1c50 n GLY 508 N 0.49 -2.81 0.00 3.28 0.00 -0.45 -4.73 105.19 100.97 1c50 n GLY 508 Ca 0.06 -2.07 0.09 0.00 0.00 0.00 0.00 46.02 44.10 1c50 n GLY 508 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1c50 n GLU 509 N -0.01 0.95 0.33 1.61 1.02 -1.26 -4.05 120.64 119.22 1c50 n GLU 509 Ca 0.00 -0.04 0.21 0.00 -0.02 0.00 0.00 57.16 57.31 1c50 n GLU 509 Cb 0.00 -1.37 1.13 0.00 -0.02 0.00 0.00 31.44 31.18 1c50 n GLU 509 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1c50 h GLU 510 N 0.00 0.00 0.00 3.49 4.39 -1.98 -2.64 114.58 117.84 1c50 h GLU 510 Ca 0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 1c50 h GLU 510 Cb 0.52 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 1c50 h GLU 510 CO 0.00 0.00 -0.17 0.10 -1.16 0.00 0.00 179.01 177.78 1c50 h TYR 511 N 0.00 0.00 -0.53 4.33 -0.00 -1.80 -3.16 116.97 115.80 1c50 h TYR 511 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 58.73 58.88 1c50 h TYR 511 Cb 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 36.83 1c50 h TYR 511 CO 0.00 0.17 0.38 0.82 -0.00 0.00 0.00 178.16 179.53 1c50 h ILE 512 N 0.00 0.75 0.00 -0.90 1.08 -1.83 -0.49 117.51 116.12 1c50 h ILE 512 Ca -0.00 -0.01 -0.01 0.00 -0.39 0.00 0.00 64.86 64.45 1c50 h ILE 512 Cb 0.56 0.72 -0.02 0.00 -3.07 0.00 0.00 36.82 35.01 1c50 h ILE 512 CO 0.02 0.00 -0.28 -1.54 -0.69 0.00 0.00 178.15 175.66 1c50 n SER 513 N -4.39 1.91 -2.71 1.72 3.41 -1.20 -4.64 113.62 107.72 1c50 n SER 513 Ca 0.10 -3.34 -0.07 0.00 -0.26 0.00 0.00 58.87 55.29 1c50 n SER 513 Cb 0.59 -0.46 0.09 0.00 -0.26 0.00 0.00 64.21 64.17 1c50 n SER 513 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1c50 n ASP 514 N -1.15 -2.12 0.02 4.04 2.03 -0.29 -5.03 116.55 114.04 1c50 n ASP 514 Ca 0.16 -3.09 0.21 0.00 0.52 0.00 0.00 54.79 52.60 1c50 n ASP 514 Cb 0.69 1.66 0.58 0.00 -0.72 0.00 0.00 41.12 43.33 1c50 n ASP 514 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1c50 h LEU 515 N 3.01 0.00 -1.78 -2.67 3.38 -1.57 -1.64 115.31 114.03 1c50 h LEU 515 Ca -0.17 0.00 0.13 0.00 0.09 0.00 0.00 57.88 57.93 1c50 h LEU 515 Cb 1.12 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 1c50 h LEU 515 CO 0.11 0.00 0.40 0.44 0.09 0.00 0.00 178.44 179.48 1c50 h ASP 516 N 0.00 0.21 0.00 -0.43 3.32 -1.86 -0.93 116.42 116.74 1c50 h ASP 516 Ca 0.28 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1c50 h ASP 516 Cb 1.82 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 41.33 1c50 h ASP 516 CO -0.00 0.12 0.02 0.00 -1.72 0.00 0.00 179.24 177.65 1c50 n GLN 517 N -4.44 0.10 0.31 3.56 6.02 -0.62 -1.97 117.38 120.35 1c50 n GLN 517 Ca 0.10 0.59 0.21 0.00 -0.01 0.00 0.00 57.00 57.90 1c50 n GLN 517 Cb 0.49 -1.84 1.08 0.00 1.02 0.00 0.00 30.24 30.99 1c50 n GLN 517 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1c50 h LEU 518 N 0.00 0.00 -2.26 1.08 4.07 -1.40 -1.91 115.31 114.89 1c50 h LEU 518 Ca 0.00 0.00 0.02 0.00 0.08 0.00 0.00 57.88 57.98 1c50 h LEU 518 Cb 0.03 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.77 1c50 h LEU 518 CO 0.00 0.00 0.06 0.03 -1.08 0.00 0.00 178.44 177.45 1c50 h ARG 519 N 0.00 0.00 0.00 1.13 3.08 -0.97 -0.42 114.38 117.20 1c50 h ARG 519 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1c50 h ARG 519 Cb 0.08 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 1c50 h ARG 519 CO 0.00 0.00 -0.02 0.87 -1.07 0.00 0.00 179.97 179.75 1c50 h LYS 520 N 0.00 0.00 0.00 0.04 1.57 -1.60 -1.44 116.57 115.14 1c50 h LYS 520 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1c50 h LYS 520 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1c50 h LYS 520 CO -0.00 0.02 0.00 1.28 -0.57 0.00 0.00 179.45 180.18 1c50 n LEU 521 N -3.34 0.26 -0.15 2.94 4.77 -0.17 -2.70 117.00 118.61 1c50 n LEU 521 Ca -0.02 0.57 -0.00 0.00 -0.03 0.00 0.00 56.01 56.53 1c50 n LEU 521 Cb 0.14 -0.55 0.25 0.00 -2.33 0.00 0.00 43.42 40.93 1c50 n LEU 521 CO 0.24 -0.43 1.12 -0.07 -1.33 0.00 0.00 177.39 176.92 1c50 h LEU 522 N 0.00 0.77 -0.23 2.23 4.07 -1.44 -1.94 115.31 118.77 1c50 h LEU 522 Ca 0.00 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.89 1c50 h LEU 522 Cb 0.24 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.78 1c50 h LEU 522 CO 0.00 0.64 0.00 -1.54 -1.08 0.00 0.00 178.44 176.46 1c50 n SER 523 N -4.36 0.20 0.00 -0.43 3.41 -1.10 -2.17 113.62 109.17 1c50 n SER 523 Ca 0.06 -1.76 0.00 0.00 -0.26 0.00 0.00 58.87 56.91 1c50 n SER 523 Cb 0.12 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1c50 n SER 523 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1c50 n TYR 524 N -0.37 0.00 0.31 7.33 4.01 -0.73 -4.67 117.16 123.04 1c50 n TYR 524 Ca 0.00 -0.21 0.18 0.00 -0.16 0.00 0.00 57.90 57.71 1c50 n TYR 524 Cb 0.05 -0.02 1.05 0.00 -0.31 0.00 0.00 39.34 40.10 1c50 n TYR 524 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 1c50 h VAL 525 N 0.03 0.31 -0.14 -0.72 3.04 -1.48 -0.76 116.25 116.52 1c50 h VAL 525 Ca 0.00 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.68 1c50 h VAL 525 Cb 0.22 1.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.51 1c50 h VAL 525 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.03 1c50 n ASP 526 N -3.53 2.29 -4.66 3.17 8.00 -1.26 -4.88 116.55 115.68 1c50 n ASP 526 Ca -0.03 -1.67 -0.43 0.00 0.71 0.00 0.00 54.79 53.38 1c50 n ASP 526 Cb 0.08 -0.09 -0.02 0.00 -0.02 0.00 0.00 41.12 41.07 1c50 n ASP 526 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1c50 s ASP 527 N -0.94 6.88 0.23 -2.24 -1.08 -0.29 -4.93 116.67 114.30 1c50 s ASP 527 Ca 0.16 1.87 -0.06 0.00 -0.52 0.00 0.00 52.55 54.00 1c50 s ASP 527 Cb 0.10 -2.54 0.21 0.00 -1.46 0.00 0.00 42.92 39.23 1c50 s ASP 527 CO 0.14 -0.78 1.75 -0.08 0.52 0.00 0.00 175.17 176.71 1c50 h GLU 528 N 8.43 1.03 0.03 4.34 4.57 -1.93 -2.32 114.58 128.73 1c50 h GLU 528 Ca -0.31 -0.24 -0.00 0.00 -1.18 0.00 0.00 59.36 57.62 1c50 h GLU 528 Cb 1.13 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.58 1c50 h GLU 528 CO 0.95 0.92 -0.02 0.00 -1.18 0.00 0.00 179.01 179.69 1c50 h ALA 529 N 1.17 -0.04 -0.30 2.92 0.00 -1.95 -2.57 119.26 118.49 1c50 h ALA 529 Ca 0.20 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1c50 h ALA 529 Cb 0.37 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1c50 h ALA 529 CO 0.00 -0.33 0.07 0.35 0.00 0.00 0.00 179.25 179.35 1c50 h PHE 530 N -0.43 0.13 -0.82 0.00 3.57 -1.87 -0.87 116.94 116.64 1c50 h PHE 530 Ca -0.00 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.60 1c50 h PHE 530 Cb 0.40 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 39.06 1c50 h PHE 530 CO 0.06 0.04 0.48 0.82 -2.23 0.00 0.00 178.31 177.48 1c50 h ILE 531 N 0.19 0.94 -0.36 1.41 2.04 -1.44 0.15 117.51 120.44 1c50 h ILE 531 Ca 0.14 -0.28 -0.08 0.00 1.00 0.00 0.00 64.86 65.63 1c50 h ILE 531 Cb 0.13 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.24 1c50 h ILE 531 CO -0.17 0.15 -0.13 -0.09 0.00 0.00 0.00 178.15 177.92 1c50 h ARG 532 N 0.83 0.63 0.27 2.37 2.43 -1.00 -2.51 114.38 117.39 1c50 h ARG 532 Ca 0.39 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1c50 h ARG 532 Cb 0.31 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1c50 h ARG 532 CO -0.23 0.74 -0.13 -0.44 -1.51 0.00 0.00 179.97 178.40 1c50 h ASP 533 N 0.57 -0.30 -0.88 -3.80 3.32 0.24 -1.01 116.42 114.55 1c50 h ASP 533 Ca 0.10 -0.22 0.19 0.00 0.02 0.00 0.00 57.03 57.13 1c50 h ASP 533 Cb 0.55 0.08 -0.11 0.00 0.22 0.00 0.00 39.33 40.07 1c50 h ASP 533 CO 0.03 0.17 0.42 0.58 -1.72 0.00 0.00 179.24 178.73 1c50 h VAL 534 N -0.91 0.57 -0.15 -1.35 2.07 -0.81 0.23 116.25 115.90 1c50 h VAL 534 Ca -0.04 -0.17 -0.11 0.00 0.82 0.00 0.00 66.70 67.20 1c50 h VAL 534 Cb 0.50 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1c50 h VAL 534 CO 0.06 0.09 -0.38 0.00 0.02 0.00 0.00 177.57 177.36 1c50 h ALA 535 N 1.65 1.06 -0.25 1.67 0.00 -1.44 -2.94 119.26 119.01 1c50 h ALA 535 Ca 0.53 -0.41 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 1c50 h ALA 535 Cb 0.92 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1c50 h ALA 535 CO -0.46 0.59 -0.33 -0.22 0.00 0.00 0.00 179.25 178.83 1c50 h LYS 536 N 0.29 0.67 -0.37 0.00 3.64 0.80 -2.27 116.57 119.32 1c50 h LYS 536 Ca 0.03 -0.39 -0.08 0.00 -1.27 0.00 0.00 60.65 58.94 1c50 h LYS 536 Cb 0.81 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.64 1c50 h LYS 536 CO 0.06 1.00 -0.12 -0.39 -2.27 0.00 0.00 179.45 177.74 1c50 h VAL 537 N 0.39 1.25 -0.69 2.00 -1.51 -1.16 -1.29 116.25 115.24 1c50 h VAL 537 Ca 0.03 -1.12 -0.07 0.00 -1.23 0.00 0.00 66.70 64.31 1c50 h VAL 537 Cb 0.92 1.09 -0.03 0.00 -2.13 0.00 0.00 31.29 31.14 1c50 h VAL 537 CO 0.08 0.37 0.14 0.50 -1.23 0.00 0.00 177.57 177.44 1c50 h LYS 538 N 0.60 1.12 -0.28 5.19 1.63 -1.47 0.91 116.57 124.28 1c50 h LYS 538 Ca 0.11 -0.28 -0.08 0.00 -0.85 0.00 0.00 60.65 59.55 1c50 h LYS 538 Cb 0.55 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 32.03 1c50 h LYS 538 CO 0.03 1.00 -0.17 0.37 -3.45 0.00 0.00 179.45 177.23 1c50 h GLN 539 N 1.06 0.49 -0.11 1.90 5.75 -0.99 -0.28 115.11 122.92 1c50 h GLN 539 Ca 0.21 -0.15 -0.19 0.00 -0.15 0.00 0.00 58.65 58.37 1c50 h GLN 539 Cb 0.40 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 28.90 1c50 h GLN 539 CO 0.01 0.64 -0.70 0.93 -2.65 0.00 0.00 178.83 177.06 1c50 h GLU 540 N 0.44 0.49 -0.40 1.69 5.08 -0.74 -1.50 114.58 119.64 1c50 h GLU 540 Ca 0.08 -0.38 -0.13 0.00 -1.00 0.00 0.00 59.36 57.92 1c50 h GLU 540 Cb 0.56 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1c50 h GLU 540 CO 0.04 1.01 -0.29 -0.91 -1.00 0.00 0.00 179.01 177.86 1c50 h ASN 541 N 0.34 0.89 -0.42 1.42 2.35 -0.44 -2.29 115.58 117.43 1c50 h ASN 541 Ca -0.03 -0.36 -0.14 0.00 -0.55 0.00 0.00 56.30 55.22 1c50 h ASN 541 Cb 1.28 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 39.39 1c50 h ASN 541 CO 0.13 1.11 -0.29 0.11 -1.65 0.00 0.00 177.43 176.84 1c50 h LYS 542 N 0.73 0.95 -0.61 0.81 1.57 -0.97 -2.23 116.57 116.81 1c50 h LYS 542 Ca 0.08 -0.44 -0.07 0.00 -1.87 0.00 0.00 60.65 58.35 1c50 h LYS 542 Cb 0.84 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 1c50 h LYS 542 CO 0.07 1.10 0.10 -0.07 -0.57 0.00 0.00 179.45 180.09 1c50 h LEU 543 N 0.80 0.97 -0.69 2.94 3.38 -1.21 -1.24 115.31 120.26 1c50 h LEU 543 Ca 0.09 -0.26 -0.11 0.00 0.09 0.00 0.00 57.88 57.68 1c50 h LEU 543 Cb 0.87 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1c50 h LEU 543 CO 0.08 0.99 -0.21 0.50 0.09 0.00 0.00 178.44 179.89 1c50 h LYS 544 N 0.92 0.80 -0.27 1.13 3.11 -1.35 -1.71 116.57 119.18 1c50 h LYS 544 Ca 0.19 -0.32 -0.16 0.00 -2.81 0.00 0.00 60.65 57.55 1c50 h LYS 544 Cb 0.43 -0.04 -0.00 0.00 -1.00 0.00 0.00 32.23 31.62 1c50 h LYS 544 CO 0.01 0.93 -0.45 0.35 -2.81 0.00 0.00 179.45 177.49 1c50 h PHE 545 N 0.70 0.98 -0.78 1.91 3.57 -1.30 -1.15 116.94 120.87 1c50 h PHE 545 Ca 0.10 -0.34 0.07 0.00 3.53 0.00 0.00 57.97 61.33 1c50 h PHE 545 Cb 0.72 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 39.22 1c50 h PHE 545 CO 0.04 1.13 0.51 0.00 -2.23 0.00 0.00 178.31 177.77 1c50 h ALA 546 N 0.67 1.66 0.23 2.41 0.00 -1.10 0.45 119.26 123.59 1c50 h ALA 546 Ca 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1c50 h ALA 546 Cb 1.05 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1c50 h ALA 546 CO 0.10 0.21 -0.11 0.00 0.00 0.00 0.00 179.25 179.45 1c50 h ALA 547 N 1.58 -0.30 -1.00 0.00 0.00 -1.08 -3.06 119.26 115.40 1c50 h ALA 547 Ca 0.34 -0.20 0.21 0.00 0.00 0.00 0.00 54.91 55.27 1c50 h ALA 547 Cb 0.28 0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.08 1c50 h ALA 547 CO -0.12 -0.46 0.62 -0.92 0.00 0.00 0.00 179.25 178.37 1c50 h TYR 548 N -0.73 0.94 -0.65 0.00 5.03 -0.49 0.04 116.97 121.11 1c50 h TYR 548 Ca -0.03 0.03 0.01 0.00 2.58 0.00 0.00 58.73 61.32 1c50 h TYR 548 Cb 0.49 -0.28 -0.03 0.00 1.55 0.00 0.00 36.73 38.46 1c50 h TYR 548 CO 0.04 0.17 0.43 -0.07 -1.32 0.00 0.00 178.16 177.41 1c50 h LEU 549 N 0.64 0.73 -0.22 2.82 4.07 -0.84 -1.81 115.31 120.70 1c50 h LEU 549 Ca 0.58 -0.01 -0.20 0.00 0.08 0.00 0.00 57.88 58.33 1c50 h LEU 549 Cb 1.09 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 42.63 1c50 h LEU 549 CO -0.37 0.52 -0.92 -0.33 -1.08 0.00 0.00 178.44 176.27 1c50 h GLU 550 N 0.86 0.13 0.75 1.13 5.08 -1.06 0.14 114.58 121.61 1c50 h GLU 550 Ca 0.24 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1c50 h GLU 550 Cb -0.08 0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.23 1c50 h GLU 550 CO -0.06 0.95 -0.36 0.00 -1.00 0.00 0.00 179.01 178.54 1c50 h ARG 551 N 0.06 -0.98 0.00 2.33 3.08 -0.76 -2.71 114.38 115.40 1c50 h ARG 551 Ca -0.04 0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1c50 h ARG 551 Cb 1.58 0.22 0.00 0.00 0.08 0.00 0.00 29.97 31.85 1c50 h ARG 551 CO 0.13 -0.65 -1.07 0.39 -1.07 0.00 0.00 179.97 177.70 1c50 n GLU 552 N -5.00 0.45 0.00 0.04 4.71 -0.71 -4.59 120.64 115.55 1c50 n GLU 552 Ca -0.13 0.04 0.00 0.00 -0.01 0.00 0.00 57.16 57.06 1c50 n GLU 552 Cb 0.40 -1.69 0.00 0.00 -1.01 0.00 0.00 31.44 29.14 1c50 n GLU 552 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1c50 n TYR 553 N -2.29 0.00 -2.72 -0.32 4.01 -0.49 -5.08 117.16 110.26 1c50 n TYR 553 Ca 0.01 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.71 1c50 n TYR 553 Cb 0.50 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.49 1c50 n TYR 553 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1c50 n LYS 554 N -1.37 -3.79 0.00 -0.72 5.02 0.36 -4.95 118.16 112.71 1c50 n LYS 554 Ca 0.00 2.93 0.00 0.00 -2.02 0.00 0.00 58.31 59.22 1c50 n LYS 554 Cb 0.12 -4.21 0.00 0.00 -0.02 0.00 0.00 35.03 30.92 1c50 n LYS 554 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1c50 n VAL 555 N 1.77 0.00 -0.97 -0.18 0.24 -1.26 -4.99 118.33 112.93 1c50 n VAL 555 Ca -0.30 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 1c50 n VAL 555 Cb 0.47 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.84 1c50 n VAL 555 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 1c50 n HIS 556 N 0.00 0.00 -3.67 6.34 -0.00 -1.26 -5.07 115.22 111.56 1c50 n HIS 556 Ca 0.00 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 58.04 1c50 n HIS 556 Cb 0.00 -0.11 -0.07 0.00 -0.12 0.00 0.00 29.99 29.69 1c50 n HIS 556 CO 0.00 0.00 0.00 0.96 0.46 0.00 0.00 176.34 177.76 1c50 s ILE 557 N -3.67 0.04 -0.42 3.57 -4.36 -1.26 -5.08 121.20 110.03 1c50 s ILE 557 Ca 0.00 -0.37 -0.22 0.00 -0.26 0.00 0.00 60.65 59.80 1c50 s ILE 557 Cb 0.00 -0.84 0.02 0.00 1.25 0.00 0.00 42.46 42.89 1c50 s ILE 557 CO 0.00 -0.20 0.74 0.21 0.24 0.00 0.00 174.94 175.92 1c50 s ASN 558 N -1.60 6.43 0.00 4.36 2.47 -1.26 -4.94 114.94 120.40 1c50 s ASN 558 Ca -0.09 -0.01 0.17 0.00 0.42 0.00 0.00 52.86 53.35 1c50 s ASN 558 Cb -0.02 -2.37 1.03 0.00 -1.45 0.00 0.00 41.25 38.45 1c50 s ASN 558 CO 0.03 -0.80 1.45 -2.65 -3.72 0.00 0.00 177.10 171.40 1c50 n PRO 559 N 6.47 0.53 0.05 0.43 -0.02 -1.26 -2.45 135.00 138.75 1c50 n PRO 559 Ca 0.01 0.01 0.11 0.00 -2.02 0.00 0.00 63.50 61.61 1c50 n PRO 559 Cb 0.48 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.43 1c50 n PRO 559 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1c50 n ASN 560 N -1.02 0.55 -4.61 2.55 5.03 -1.26 -4.87 115.26 111.64 1c50 n ASN 560 Ca 0.13 0.03 -0.29 0.00 0.87 0.00 0.00 54.58 55.31 1c50 n ASN 560 Cb 0.06 0.95 0.16 0.00 -1.02 0.00 0.00 39.78 39.93 1c50 n ASN 560 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1c50 s SER 561 N -4.56 2.98 0.03 6.41 1.04 -1.03 -4.97 113.70 113.61 1c50 s SER 561 Ca -0.00 0.92 -0.29 0.00 0.48 0.00 0.00 55.95 57.05 1c50 s SER 561 Cb 0.13 -1.44 -0.04 0.00 0.10 0.00 0.00 66.02 64.77 1c50 s SER 561 CO 0.82 -2.87 0.93 -0.22 0.98 0.00 0.00 173.24 172.88 1c50 s LEU 562 N -6.22 4.41 -0.64 2.42 0.20 0.51 -4.84 118.68 114.53 1c50 s LEU 562 Ca 0.66 1.64 -0.20 0.00 0.69 0.00 0.00 54.13 56.92 1c50 s LEU 562 Cb -0.14 -3.50 0.10 0.00 -0.43 0.00 0.00 46.19 42.21 1c50 s LEU 562 CO 0.54 -0.16 0.81 -0.36 -0.29 0.00 0.00 176.35 176.90 1c50 s PHE 563 N 0.56 2.91 -0.51 5.38 0.40 -1.26 -0.21 117.98 125.25 1c50 s PHE 563 Ca 0.48 -0.87 -0.20 0.00 -0.60 0.00 0.00 56.93 55.74 1c50 s PHE 563 Cb -0.21 -4.12 0.05 0.00 0.51 0.00 0.00 43.02 39.25 1c50 s PHE 563 CO 0.27 -1.42 0.71 0.34 0.70 0.00 0.00 175.22 175.82 1c50 s ASP 564 N 3.62 6.26 -0.05 1.36 -1.08 0.10 -1.54 116.67 125.33 1c50 s ASP 564 Ca 0.16 -0.73 0.03 0.00 -0.52 0.00 0.00 52.55 51.49 1c50 s ASP 564 Cb -0.20 -2.33 0.01 0.00 -1.46 0.00 0.00 42.92 38.93 1c50 s ASP 564 CO 0.06 -0.97 -0.14 0.54 0.52 0.00 0.00 175.17 175.18 1c50 s VAL 565 N 2.98 1.23 -0.31 1.11 0.11 -0.44 0.12 120.40 125.20 1c50 s VAL 565 Ca 0.19 -0.57 0.02 0.00 -2.93 0.00 0.00 61.98 58.69 1c50 s VAL 565 Cb -0.17 -1.09 0.09 0.00 -1.53 0.00 0.00 36.38 33.68 1c50 s VAL 565 CO 0.14 0.37 0.05 -1.58 -3.33 0.00 0.00 175.10 170.75 1c50 s GLN 566 N 0.37 1.19 -0.10 1.54 0.74 -0.05 -2.23 119.66 121.12 1c50 s GLN 566 Ca -0.10 -1.42 0.02 0.00 0.05 0.00 0.00 55.36 53.92 1c50 s GLN 566 Cb -0.13 -2.62 0.01 0.00 1.10 0.00 0.00 33.01 31.36 1c50 s GLN 566 CO 0.03 -0.91 -0.18 0.14 -0.55 0.00 0.00 175.29 173.82 1c50 s VAL 567 N 1.26 1.66 0.00 1.34 -7.23 -1.26 -1.98 120.40 114.19 1c50 s VAL 567 Ca 0.08 -0.76 0.00 0.00 -1.81 0.00 0.00 61.98 59.49 1c50 s VAL 567 Cb -0.18 -1.48 0.00 0.00 0.56 0.00 0.00 36.38 35.28 1c50 s VAL 567 CO -0.15 0.47 0.00 2.29 -0.31 0.00 0.00 175.10 177.40 1c50 n LYS 568 N 3.94 -1.06 -1.81 4.82 0.00 -0.82 -4.98 118.16 118.25 1c50 n LYS 568 Ca -0.20 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 57.72 1c50 n LYS 568 Cb 0.52 0.00 0.03 0.00 -0.00 0.00 0.00 35.03 35.58 1c50 n LYS 568 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1c50 s ARG 569 N -2.00 3.32 -0.25 -1.58 1.81 -1.26 -3.95 118.95 115.03 1c50 s ARG 569 Ca 0.00 2.26 -0.29 0.00 -1.72 0.00 0.00 55.73 55.98 1c50 s ARG 569 Cb 0.00 -2.37 0.00 0.00 -0.45 0.00 0.00 34.95 32.13 1c50 s ARG 569 CO 0.00 -1.06 1.21 0.42 -0.68 0.00 0.00 175.30 175.19 1c50 s ILE 570 N -1.29 4.32 0.02 1.52 -1.09 -0.89 -4.90 121.20 118.90 1c50 s ILE 570 Ca 0.68 1.55 -0.07 0.00 -2.23 0.00 0.00 60.65 60.59 1c50 s ILE 570 Cb -0.41 -4.18 -0.00 0.00 -1.58 0.00 0.00 42.46 36.29 1c50 s ILE 570 CO 0.49 -0.33 0.13 -1.00 -1.23 0.00 0.00 174.94 172.99 1c50 s HIS 571 N 3.82 0.11 0.21 3.97 3.76 -1.26 -4.75 115.29 121.14 1c50 s HIS 571 Ca 0.52 -0.31 -0.02 0.00 -0.15 0.00 0.00 55.06 55.10 1c50 s HIS 571 Cb -0.17 -0.09 0.16 0.00 1.11 0.00 0.00 32.58 33.60 1c50 s HIS 571 CO 0.17 -0.34 1.55 0.93 -0.85 0.00 0.00 174.74 176.20 1c50 h GLU 572 N 3.92 0.56 0.00 1.40 5.08 -1.97 -2.71 114.58 120.85 1c50 h GLU 572 Ca -0.32 -0.32 -0.04 0.00 -1.00 0.00 0.00 59.36 57.69 1c50 h GLU 572 Cb 1.19 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1c50 h GLU 572 CO 0.45 0.92 -0.17 0.10 -1.00 0.00 0.00 179.01 179.31 1c50 h TYR 573 N 0.44 0.00 0.00 4.33 -0.00 -1.97 -2.00 116.97 117.77 1c50 h TYR 573 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.75 1c50 h TYR 573 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.73 1c50 h TYR 573 CO 0.04 0.17 -0.06 1.63 -0.00 0.00 0.00 178.16 179.94 1c50 n LYS 574 N -3.42 0.10 -3.51 0.10 4.76 -1.03 -2.88 118.16 112.28 1c50 n LYS 574 Ca -0.00 0.07 -0.25 0.00 -2.87 0.00 0.00 58.31 55.26 1c50 n LYS 574 Cb 0.36 -1.61 0.05 0.00 -1.84 0.00 0.00 35.03 31.99 1c50 n LYS 574 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1c50 n ARG 575 N -1.78 -1.69 0.15 1.97 1.74 -0.75 -4.06 116.66 112.24 1c50 n ARG 575 Ca 0.06 0.62 0.01 0.00 -0.77 0.00 0.00 57.85 57.78 1c50 n ARG 575 Cb 0.37 -4.82 0.23 0.00 -1.02 0.00 0.00 32.46 27.22 1c50 n ARG 575 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1c50 h GLN 576 N -1.57 0.00 -0.93 5.56 7.50 -1.83 -2.79 115.11 121.04 1c50 h GLN 576 Ca -0.64 0.00 0.02 0.00 0.50 0.00 0.00 58.65 58.53 1c50 h GLN 576 Cb 1.34 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 28.82 1c50 h GLN 576 CO 0.47 0.53 0.62 -0.07 -1.50 0.00 0.00 178.83 178.87 1c50 h LEU 577 N 0.00 1.05 -1.01 1.46 3.38 -1.89 -0.36 115.31 117.94 1c50 h LEU 577 Ca -0.01 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1c50 h LEU 577 Cb 1.03 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1c50 h LEU 577 CO 0.07 0.75 -0.07 0.25 0.09 0.00 0.00 178.44 179.52 1c50 h LEU 578 N 1.24 0.61 -0.51 1.67 5.85 -1.87 -1.37 115.31 120.92 1c50 h LEU 578 Ca 0.35 -0.15 -0.09 0.00 0.84 0.00 0.00 57.88 58.83 1c50 h LEU 578 Cb -0.10 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 1c50 h LEU 578 CO -0.09 0.73 -0.03 -1.13 -0.34 0.00 0.00 178.44 177.58 1c50 h ASN 579 N 0.58 0.91 -0.24 1.25 -0.00 -1.26 -2.89 115.58 113.93 1c50 h ASN 579 Ca 0.11 -0.32 0.04 0.00 -0.00 0.00 0.00 56.30 56.13 1c50 h ASN 579 Cb 0.48 -0.25 -0.04 0.00 -0.00 0.00 0.00 38.32 38.52 1c50 h ASN 579 CO 0.03 1.01 0.00 0.00 -0.00 0.00 0.00 177.43 178.47 1c50 h LEU 581 N 0.08 0.49 -0.41 0.00 3.38 -1.16 -0.48 115.31 117.21 1c50 h LEU 581 Ca 0.11 0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.91 1c50 h LEU 581 Cb 0.14 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1c50 h LEU 581 CO -0.19 0.30 -0.66 -0.74 0.09 0.00 0.00 178.44 177.24 1c50 h HIS 582 N 0.55 0.70 -0.49 1.13 2.76 -1.22 -1.90 115.15 116.68 1c50 h HIS 582 Ca 0.30 -0.28 -0.09 0.00 -2.20 0.00 0.00 60.37 58.10 1c50 h HIS 582 Cb 0.47 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.29 1c50 h HIS 582 CO -0.00 1.04 -0.07 0.28 -1.30 0.00 0.00 177.93 177.88 1c50 h VAL 583 N 0.39 1.26 -0.09 5.26 2.07 -0.20 -1.73 116.25 123.20 1c50 h VAL 583 Ca -0.02 -1.16 -0.16 0.00 0.82 0.00 0.00 66.70 66.19 1c50 h VAL 583 Cb 1.23 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 1c50 h VAL 583 CO 0.12 0.40 -0.62 0.40 0.02 0.00 0.00 177.57 177.90 1c50 h ILE 584 N 0.80 1.37 -0.16 4.57 2.04 -1.15 -2.31 117.51 122.67 1c50 h ILE 584 Ca 0.14 -1.98 -0.01 0.00 1.00 0.00 0.00 64.86 64.01 1c50 h ILE 584 Cb 0.58 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.63 1c50 h ILE 584 CO 0.04 0.59 0.07 0.74 0.00 0.00 0.00 178.15 179.59 1c50 h THR 585 N 0.24 1.14 -0.43 -0.27 2.02 -1.06 0.56 112.91 115.10 1c50 h THR 585 Ca -0.01 -0.41 0.04 0.00 0.77 0.00 0.00 66.41 66.80 1c50 h THR 585 Cb 1.14 1.12 -0.04 0.00 -1.74 0.00 0.00 68.15 68.63 1c50 h THR 585 CO 0.10 0.13 0.21 -0.07 0.37 0.00 0.00 175.52 176.26 1c50 h LEU 586 N 0.12 0.30 -0.29 2.58 4.07 -1.24 -0.06 115.31 120.80 1c50 h LEU 586 Ca 0.05 0.03 0.02 0.00 0.08 0.00 0.00 57.88 58.06 1c50 h LEU 586 Cb 0.14 -0.03 -0.03 0.00 1.08 0.00 0.00 40.66 41.83 1c50 h LEU 586 CO -0.01 0.21 0.13 0.22 -1.08 0.00 0.00 178.44 177.92 1c50 h TYR 587 N 0.42 0.24 -0.80 1.13 3.20 -1.11 -1.91 116.97 118.14 1c50 h TYR 587 Ca 0.19 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.03 1c50 h TYR 587 Cb 0.11 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.27 1c50 h TYR 587 CO -0.11 0.13 0.33 -0.91 -1.64 0.00 0.00 178.16 175.96 1c50 h ASN 588 N 0.28 1.10 0.50 -2.11 2.35 -0.28 -1.74 115.58 115.68 1c50 h ASN 588 Ca 0.12 -0.16 -0.07 0.00 -0.55 0.00 0.00 56.30 55.64 1c50 h ASN 588 Cb 0.06 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 1c50 h ASN 588 CO -0.10 0.96 -0.33 0.03 -1.65 0.00 0.00 177.43 176.35 1c50 h ARG 589 N 1.16 0.00 -0.03 0.81 3.08 -0.76 -1.58 114.38 117.06 1c50 h ARG 589 Ca 0.27 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.23 1c50 h ARG 589 Cb 0.20 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.26 1c50 h ARG 589 CO -0.02 0.33 -0.31 0.82 -1.07 0.00 0.00 179.97 179.72 1c50 h ILE 590 N 0.00 1.47 0.00 2.04 2.04 -0.95 -2.47 117.51 119.64 1c50 h ILE 590 Ca -0.00 -1.82 -0.01 0.00 1.00 0.00 0.00 64.86 64.02 1c50 h ILE 590 Cb 0.67 2.51 -0.00 0.00 -0.74 0.00 0.00 36.82 39.26 1c50 h ILE 590 CO 0.04 0.51 -0.07 0.11 0.00 0.00 0.00 178.15 178.75 1c50 h LYS 591 N -0.29 0.00 0.04 2.37 1.79 -1.12 -0.77 116.57 118.59 1c50 h LYS 591 Ca -0.03 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1c50 h LYS 591 Cb 1.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.65 1c50 h LYS 591 CO 0.06 0.07 -0.02 -0.22 -1.08 0.00 0.00 179.45 178.26 1c50 h LYS 592 N 0.00 -0.05 -3.01 3.15 1.63 -1.25 -3.38 116.57 113.65 1c50 h LYS 592 Ca -0.00 0.00 -0.62 0.00 -0.85 0.00 0.00 60.65 59.19 1c50 h LYS 592 Cb 0.14 0.01 -0.41 0.00 -0.60 0.00 0.00 32.23 31.36 1c50 h LYS 592 CO 0.01 0.54 -0.65 -1.21 -3.45 0.00 0.00 179.45 174.69 1c50 s GLU 593 N -3.59 2.12 0.21 1.90 2.02 -0.94 -4.98 118.70 115.44 1c50 s GLU 593 Ca -0.16 -3.02 -0.10 0.00 0.02 0.00 0.00 54.97 51.72 1c50 s GLU 593 Cb 0.00 -3.06 0.20 0.00 0.10 0.00 0.00 34.13 31.37 1c50 s GLU 593 CO 0.63 -1.27 1.86 -1.35 0.02 0.00 0.00 175.26 175.14 1c50 h PRO 594 N 5.63 0.88 -0.80 0.39 0.11 -1.34 -2.98 132.00 133.88 1c50 h PRO 594 Ca 0.13 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1c50 h PRO 594 Cb 0.80 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.71 1c50 h PRO 594 CO 0.65 0.58 0.00 0.09 -0.21 0.00 0.00 178.00 179.11 1c50 n ASN 595 N -4.64 3.15 -4.88 -2.05 4.13 -1.26 -4.86 115.26 104.85 1c50 n ASN 595 Ca 0.08 -2.42 -0.33 0.00 1.68 0.00 0.00 54.58 53.59 1c50 n ASN 595 Cb 0.08 -0.58 -0.05 0.00 -1.54 0.00 0.00 39.78 37.69 1c50 n ASN 595 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1c50 s LYS 596 N -1.80 3.71 -0.03 3.52 2.20 -1.13 -5.07 119.74 121.14 1c50 s LYS 596 Ca 0.25 0.08 -0.23 0.00 -0.36 0.00 0.00 55.97 55.71 1c50 s LYS 596 Cb 0.19 -2.89 -0.05 0.00 -1.51 0.00 0.00 37.83 33.57 1c50 s LYS 596 CO 0.07 0.49 0.67 0.12 -0.36 0.00 0.00 175.35 176.34 1c50 s PHE 597 N -1.56 3.64 0.06 4.03 5.36 -1.26 -5.06 117.98 123.19 1c50 s PHE 597 Ca 0.38 1.26 0.03 0.00 -0.96 0.00 0.00 56.93 57.64 1c50 s PHE 597 Cb -0.13 -2.73 -0.03 0.00 -0.34 0.00 0.00 43.02 39.79 1c50 s PHE 597 CO 0.21 0.21 -0.10 0.14 -1.46 0.00 0.00 175.22 174.23 1c50 s VAL 598 N 0.30 0.74 -0.07 3.12 -7.23 -1.26 -5.11 120.40 110.88 1c50 s VAL 598 Ca 0.35 -1.22 -0.30 0.00 -1.81 0.00 0.00 61.98 59.00 1c50 s VAL 598 Cb -0.18 -0.84 -0.04 0.00 0.56 0.00 0.00 36.38 35.87 1c50 s VAL 598 CO 0.18 -0.37 1.50 -0.69 -0.31 0.00 0.00 175.10 175.41 1c50 s VAL 599 N -1.53 3.79 0.33 1.32 1.01 -1.26 -4.96 120.40 119.11 1c50 s VAL 599 Ca -0.06 1.01 -0.29 0.00 0.00 0.00 0.00 61.98 62.65 1c50 s VAL 599 Cb -0.09 -3.65 -0.11 0.00 0.00 0.00 0.00 36.38 32.53 1c50 s VAL 599 CO 0.01 -0.07 1.55 -2.84 0.00 0.00 0.00 175.10 173.74 1c50 s PRO 600 N 3.55 4.12 0.03 2.72 0.02 -1.26 -4.91 135.00 139.27 1c50 s PRO 600 Ca 0.66 2.57 0.02 0.00 0.02 0.00 0.00 61.00 64.27 1c50 s PRO 600 Cb -0.30 -3.00 -0.02 0.00 0.02 0.00 0.00 34.50 31.20 1c50 s PRO 600 CO 0.25 -0.59 -0.07 1.03 -0.33 0.00 0.00 177.00 177.29 1c50 s ARG 601 N -1.16 0.49 -0.31 5.54 0.52 -0.46 -0.36 118.95 123.21 1c50 s ARG 601 Ca 0.59 -0.57 0.03 0.00 -0.52 0.00 0.00 55.73 55.26 1c50 s ARG 601 Cb -0.47 -0.33 0.09 0.00 0.52 0.00 0.00 34.95 34.75 1c50 s ARG 601 CO 0.54 0.07 0.02 0.99 0.02 0.00 0.00 175.30 176.94 1c50 s THR 602 N -0.96 1.95 -0.25 0.02 2.01 0.71 -2.16 115.64 116.96 1c50 s THR 602 Ca -0.06 -1.95 -0.15 0.00 0.31 0.00 0.00 61.69 59.84 1c50 s THR 602 Cb -0.07 -2.36 -0.04 0.00 0.01 0.00 0.00 72.50 70.04 1c50 s THR 602 CO 0.00 -0.46 0.39 0.54 -0.69 0.00 0.00 174.62 174.40 1c50 s VAL 603 N 1.10 5.18 -0.17 3.82 0.11 -0.60 -0.72 120.40 129.12 1c50 s VAL 603 Ca 0.06 0.62 -0.02 0.00 -2.93 0.00 0.00 61.98 59.70 1c50 s VAL 603 Cb -0.19 -3.71 -0.01 0.00 -1.53 0.00 0.00 36.38 30.93 1c50 s VAL 603 CO -0.10 0.18 -0.08 -0.04 -3.33 0.00 0.00 175.10 171.73 1c50 s MET 604 N 1.87 3.45 -0.09 1.54 -1.94 0.33 -1.73 119.30 122.74 1c50 s MET 604 Ca 0.16 -0.62 0.03 0.00 -1.71 0.00 0.00 55.69 53.55 1c50 s MET 604 Cb -0.15 -2.84 0.01 0.00 2.01 0.00 0.00 34.83 33.86 1c50 s MET 604 CO 0.09 0.06 -0.17 0.42 -0.01 0.00 0.00 175.02 175.41 1c50 s ILE 605 N 0.78 1.59 0.05 2.53 1.01 -0.77 -0.87 121.20 125.53 1c50 s ILE 605 Ca -0.03 -0.73 -0.03 0.00 0.00 0.00 0.00 60.65 59.87 1c50 s ILE 605 Cb -0.15 -1.42 -0.03 0.00 0.01 0.00 0.00 42.46 40.88 1c50 s ILE 605 CO 0.02 0.46 0.02 -0.83 0.00 0.00 0.00 174.94 174.60 1c50 s GLY 606 N 0.65 0.38 0.00 6.18 0.00 -0.84 -0.60 107.32 113.09 1c50 s GLY 606 Ca -0.14 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 43.54 1c50 s GLY 606 CO 0.04 -1.17 0.00 0.61 0.00 0.00 0.00 173.10 172.58 1c50 n GLY 607 N 0.18 3.98 3.85 0.20 0.00 -1.25 -1.95 105.19 110.19 1c50 n GLY 607 Ca -0.15 -1.22 -0.32 0.00 0.00 0.00 0.00 46.02 44.33 1c50 n GLY 607 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c50 s LYS 608 N -2.70 3.23 -0.07 1.61 1.02 -1.26 -4.70 119.74 116.87 1c50 s LYS 608 Ca 0.00 -0.44 -0.01 0.00 0.02 0.00 0.00 55.97 55.53 1c50 s LYS 608 Cb 0.00 -2.96 -0.03 0.00 -0.52 0.00 0.00 37.83 34.32 1c50 s LYS 608 CO 0.00 0.64 0.01 0.00 -0.92 0.00 0.00 175.35 175.08 1c50 s ALA 609 N -1.31 3.32 0.31 5.17 0.00 -1.26 -2.09 121.76 125.89 1c50 s ALA 609 Ca 0.27 -0.83 -0.29 0.00 0.00 0.00 0.00 51.96 51.11 1c50 s ALA 609 Cb -0.12 -1.47 -0.10 0.00 0.00 0.00 0.00 23.12 21.42 1c50 s ALA 609 CO 0.19 0.61 1.42 0.00 0.00 0.00 0.00 175.76 177.97 1c50 s ALA 610 N -0.95 3.58 0.35 0.00 0.00 -1.26 -4.88 121.76 118.60 1c50 s ALA 610 Ca 0.15 1.38 0.14 0.00 0.00 0.00 0.00 51.96 53.63 1c50 s ALA 610 Cb -0.11 -3.55 1.03 0.00 0.00 0.00 0.00 23.12 20.49 1c50 s ALA 610 CO 0.05 -0.80 1.70 -1.35 0.00 0.00 0.00 175.76 175.36 1c50 h PRO 611 N 4.04 0.41 -0.00 0.00 0.11 -1.98 -0.97 132.00 133.62 1c50 h PRO 611 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1c50 h PRO 611 Cb 1.23 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1c50 h PRO 611 CO 0.71 0.27 -0.34 0.41 -0.21 0.00 0.00 178.00 178.84 1c50 n GLY 612 N -1.34 -1.21 3.57 -0.55 0.00 -1.26 -4.72 105.19 99.68 1c50 n GLY 612 Ca 0.29 -0.30 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1c50 n GLY 612 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1c50 s TYR 613 N -2.90 2.36 0.12 1.61 6.14 -0.37 -4.87 117.35 119.44 1c50 s TYR 613 Ca 0.15 -0.54 -0.23 0.00 0.64 0.00 0.00 57.07 57.09 1c50 s TYR 613 Cb 0.18 -4.50 -0.06 0.00 0.42 0.00 0.00 41.96 38.00 1c50 s TYR 613 CO 0.63 -1.81 1.68 1.25 0.64 0.00 0.00 175.55 177.94 1c50 h HIS 614 N 9.74 -0.31 -0.91 4.97 -0.00 -1.84 -2.34 115.15 124.45 1c50 h HIS 614 Ca 0.22 0.01 0.06 0.00 -0.00 0.00 0.00 60.37 60.67 1c50 h HIS 614 Cb 0.98 0.15 -0.06 0.00 -0.00 0.00 0.00 27.41 28.47 1c50 h HIS 614 CO 1.29 -0.18 0.58 1.98 -0.00 0.00 0.00 177.93 181.59 1c50 h MET 615 N -0.17 1.01 -0.59 5.26 1.85 -1.98 -1.68 114.93 118.64 1c50 h MET 615 Ca 0.07 -0.06 -0.04 0.00 -0.61 0.00 0.00 59.70 59.05 1c50 h MET 615 Cb 0.27 -0.23 -0.03 0.00 0.43 0.00 0.00 31.60 32.04 1c50 h MET 615 CO -0.17 0.67 0.20 0.00 -0.40 0.00 0.00 176.91 177.21 1c50 h ALA 616 N 1.43 1.24 0.00 0.39 0.00 -1.82 -1.70 119.26 118.80 1c50 h ALA 616 Ca 0.40 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 1c50 h ALA 616 Cb 0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1c50 h ALA 616 CO -0.18 0.54 -0.33 0.87 0.00 0.00 0.00 179.25 180.16 1c50 h LYS 617 N 0.86 0.00 0.00 0.00 1.57 -0.87 -2.89 116.57 115.23 1c50 h LYS 617 Ca 0.20 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.81 1c50 h LYS 617 Cb 0.23 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1c50 h LYS 617 CO -0.01 0.33 -0.80 0.52 -0.57 0.00 0.00 179.45 178.92 1c50 h MET 618 N 0.00 0.01 -0.16 3.15 2.86 -0.58 -2.98 114.93 117.23 1c50 h MET 618 Ca -0.00 -0.01 -0.16 0.00 -2.06 0.00 0.00 59.70 57.47 1c50 h MET 618 Cb 0.93 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.58 1c50 h MET 618 CO 0.04 0.80 -0.56 0.82 1.06 0.00 0.00 176.91 179.08 1c50 h ILE 619 N 0.00 1.33 -0.40 -1.22 2.04 -1.14 -1.86 117.51 116.27 1c50 h ILE 619 Ca -0.01 -1.83 -0.04 0.00 1.00 0.00 0.00 64.86 63.99 1c50 h ILE 619 Cb 1.41 1.82 -0.02 0.00 -0.74 0.00 0.00 36.82 39.30 1c50 h ILE 619 CO 0.10 0.56 0.11 0.40 0.00 0.00 0.00 178.15 179.32 1c50 h ILE 620 N 0.37 1.22 -0.40 -0.67 2.04 -1.48 -1.29 117.51 117.29 1c50 h ILE 620 Ca 0.00 -0.75 -0.03 0.00 1.00 0.00 0.00 64.86 65.08 1c50 h ILE 620 Cb 1.09 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 1c50 h ILE 620 CO 0.10 0.26 0.11 0.50 0.00 0.00 0.00 178.15 179.12 1c50 h LYS 621 N 0.50 0.59 0.08 2.37 1.63 -1.41 -1.51 116.57 118.83 1c50 h LYS 621 Ca 0.13 -0.10 -0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1c50 h LYS 621 Cb 0.29 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 1c50 h LYS 621 CO -0.00 0.53 -0.04 1.25 -3.45 0.00 0.00 179.45 177.74 1c50 h LEU 622 N 0.58 -0.10 -0.74 5.20 6.46 -0.94 -0.21 115.31 125.56 1c50 h LEU 622 Ca 0.13 -0.19 0.09 0.00 -0.12 0.00 0.00 57.88 57.79 1c50 h LEU 622 Cb 0.21 0.02 -0.07 0.00 -0.73 0.00 0.00 40.66 40.09 1c50 h LEU 622 CO -0.00 0.14 0.39 0.40 -0.62 0.00 0.00 178.44 178.75 1c50 h ILE 623 N -0.33 0.88 -0.07 4.05 2.04 -0.78 0.30 117.51 123.61 1c50 h ILE 623 Ca -0.01 -0.23 -0.16 0.00 1.00 0.00 0.00 64.86 65.46 1c50 h ILE 623 Cb 0.28 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 1c50 h ILE 623 CO 0.02 0.12 -0.64 0.71 0.00 0.00 0.00 178.15 178.36 1c50 h THR 624 N 0.67 1.39 -0.32 -0.27 1.35 -1.24 -2.51 112.91 111.98 1c50 h THR 624 Ca 0.36 -2.06 -0.03 0.00 -0.55 0.00 0.00 66.41 64.13 1c50 h THR 624 Cb 0.34 2.05 -0.01 0.00 -1.73 0.00 0.00 68.15 68.80 1c50 h THR 624 CO -0.25 0.61 0.09 0.00 -0.25 0.00 0.00 175.52 175.72 1c50 h ALA 625 N 1.12 0.43 -0.52 6.62 0.00 0.35 -1.42 119.26 125.84 1c50 h ALA 625 Ca -0.01 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.75 1c50 h ALA 625 Cb 1.17 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1c50 h ALA 625 CO 0.10 0.07 0.32 0.82 0.00 0.00 0.00 179.25 180.57 1c50 h ILE 626 N 0.37 1.09 0.00 0.00 2.04 -0.40 -1.96 117.51 118.65 1c50 h ILE 626 Ca 0.10 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 1c50 h ILE 626 Cb 0.27 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1c50 h ILE 626 CO -0.00 0.12 -0.16 1.23 0.00 0.00 0.00 178.15 179.33 1c50 h GLY 627 N 0.65 0.00 1.08 5.37 0.00 -1.21 -1.25 103.07 107.70 1c50 h GLY 627 Ca 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.43 1c50 h GLY 627 CO -0.07 0.00 -0.04 -0.55 0.00 0.00 0.00 176.54 175.88 1c50 h ASP 628 N 0.00 1.02 0.13 0.19 3.32 -0.47 -1.33 116.42 119.29 1c50 h ASP 628 Ca -0.00 -0.32 -0.01 0.00 0.02 0.00 0.00 57.03 56.72 1c50 h ASP 628 Cb 0.38 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1c50 h ASP 628 CO 0.02 1.10 -0.06 0.58 -1.72 0.00 0.00 179.24 179.16 1c50 h VAL 629 N 0.92 0.00 -0.54 -1.35 2.07 -1.28 -3.33 116.25 112.74 1c50 h VAL 629 Ca 0.16 -0.45 0.11 0.00 0.82 0.00 0.00 66.70 67.33 1c50 h VAL 629 Cb 0.60 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.27 1c50 h VAL 629 CO 0.04 0.00 -0.16 0.58 0.02 0.00 0.00 177.57 178.05 1c50 h VAL 630 N -0.63 0.42 0.00 2.57 2.07 -1.34 -1.76 116.25 117.58 1c50 h VAL 630 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1c50 h VAL 630 Cb 0.14 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1c50 h VAL 630 CO 0.03 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.21 1c50 n ASN 631 N -5.40 0.00 -0.01 0.57 3.02 -0.50 -2.80 115.26 110.14 1c50 n ASN 631 Ca 0.05 0.25 0.01 0.00 -0.03 0.00 0.00 54.58 54.87 1c50 n ASN 631 Cb 0.30 -0.37 0.02 0.00 -0.61 0.00 0.00 39.78 39.12 1c50 n ASN 631 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1c50 n HIS 632 N -1.37 0.00 -2.98 3.10 8.25 -0.69 -4.96 115.22 116.58 1c50 n HIS 632 Ca 0.05 -0.50 -0.42 0.00 -0.26 0.00 0.00 57.72 56.58 1c50 n HIS 632 Cb 0.12 -0.06 -0.05 0.00 1.12 0.00 0.00 29.99 31.12 1c50 n HIS 632 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1c50 s ASP 633 N -1.12 6.53 0.42 0.41 -1.08 -1.07 -4.93 116.67 115.83 1c50 s ASP 633 Ca 0.04 0.31 0.10 0.00 -0.52 0.00 0.00 52.55 52.47 1c50 s ASP 633 Cb 0.03 -2.38 0.91 0.00 -1.46 0.00 0.00 42.92 40.01 1c50 s ASP 633 CO 0.00 -0.71 2.01 -0.65 0.52 0.00 0.00 175.17 176.34 1c50 h PRO 634 N 8.49 0.31 -0.12 4.34 0.11 -1.93 -2.24 132.00 140.96 1c50 h PRO 634 Ca -0.25 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.77 1c50 h PRO 634 Cb 1.10 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1c50 h PRO 634 CO 0.90 0.30 -0.15 0.28 -0.21 0.00 0.00 178.00 179.12 1c50 h VAL 635 N 0.31 1.17 -0.10 3.15 2.07 -1.97 -2.61 116.25 118.27 1c50 h VAL 635 Ca 0.08 -0.78 -0.18 0.00 0.82 0.00 0.00 66.70 66.64 1c50 h VAL 635 Cb 0.14 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1c50 h VAL 635 CO -0.00 0.24 -0.68 0.58 0.02 0.00 0.00 177.57 177.72 1c50 h VAL 636 N 0.18 1.37 0.00 2.57 2.07 -1.74 -3.48 116.25 117.20 1c50 h VAL 636 Ca 0.04 -2.05 0.00 0.00 0.82 0.00 0.00 66.70 65.50 1c50 h VAL 636 Cb 0.38 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 1c50 h VAL 636 CO 0.02 0.62 0.00 0.61 0.02 0.00 0.00 177.57 178.84 1c50 n GLY 637 N 0.47 2.98 1.74 2.17 0.00 -0.99 -2.50 105.19 109.06 1c50 n GLY 637 Ca -0.04 -0.33 0.08 0.00 0.00 0.00 0.00 46.02 45.73 1c50 n GLY 637 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1c50 n ASP 638 N 2.29 5.23 0.20 1.61 5.68 -1.26 -4.39 116.55 125.91 1c50 n ASP 638 Ca 0.00 -2.69 0.12 0.00 -0.50 0.00 0.00 54.79 51.72 1c50 n ASP 638 Cb 0.00 -0.64 0.20 0.00 -1.14 0.00 0.00 41.12 39.54 1c50 n ASP 638 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 1c50 h ARG 639 N 4.02 0.00 -2.16 0.11 3.08 -1.84 -3.43 114.38 114.16 1c50 h ARG 639 Ca 0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 1c50 h ARG 639 Cb 1.72 0.00 -0.28 0.00 0.08 0.00 0.00 29.97 31.49 1c50 h ARG 639 CO 0.37 0.00 -0.40 -1.17 -1.07 0.00 0.00 179.97 177.70 1c50 s LEU 640 N -5.90 -0.71 -0.08 3.04 2.96 -1.26 -1.35 118.68 115.39 1c50 s LEU 640 Ca 0.07 0.70 0.04 0.00 -0.22 0.00 0.00 54.13 54.73 1c50 s LEU 640 Cb 0.06 1.34 0.00 0.00 0.50 0.00 0.00 46.19 48.10 1c50 s LEU 640 CO 0.66 -0.26 -0.21 -0.13 -1.32 0.00 0.00 176.35 175.10 1c50 s ARG 641 N 2.61 2.53 -0.35 1.98 1.81 -0.92 -4.60 118.95 122.02 1c50 s ARG 641 Ca 0.05 -0.75 -0.04 0.00 -1.72 0.00 0.00 55.73 53.27 1c50 s ARG 641 Cb -0.14 -2.00 0.06 0.00 -0.45 0.00 0.00 34.95 32.43 1c50 s ARG 641 CO -0.15 0.19 0.10 0.08 -0.68 0.00 0.00 175.30 174.85 1c50 s VAL 642 N 0.28 3.40 -0.12 3.52 1.01 -1.26 -1.55 120.40 125.68 1c50 s VAL 642 Ca -0.14 -1.48 0.01 0.00 0.00 0.00 0.00 61.98 60.38 1c50 s VAL 642 Cb -0.16 -3.05 -0.01 0.00 0.00 0.00 0.00 36.38 33.16 1c50 s VAL 642 CO 0.06 -0.31 -0.17 -0.63 0.00 0.00 0.00 175.10 174.05 1c50 s ILE 643 N 1.28 2.66 -0.29 2.22 1.09 -0.70 -4.48 121.20 122.98 1c50 s ILE 643 Ca -0.00 -0.80 -0.15 0.00 -1.10 0.00 0.00 60.65 58.60 1c50 s ILE 643 Cb -0.21 -2.09 -0.03 0.00 -1.06 0.00 0.00 42.46 39.07 1c50 s ILE 643 CO -0.00 0.53 0.38 0.12 -0.10 0.00 0.00 174.94 175.87 1c50 s PHE 644 N 0.42 3.23 -0.55 3.97 5.36 -1.26 -1.84 117.98 127.30 1c50 s PHE 644 Ca -0.13 0.31 -0.28 0.00 -0.96 0.00 0.00 56.93 55.87 1c50 s PHE 644 Cb -0.17 -2.62 0.02 0.00 -0.34 0.00 0.00 43.02 39.92 1c50 s PHE 644 CO 0.06 -0.29 1.26 -0.51 -1.46 0.00 0.00 175.22 174.28 1c50 s LEU 645 N 2.09 3.47 0.33 6.12 1.02 0.23 -4.96 118.68 126.97 1c50 s LEU 645 Ca 0.15 0.25 -0.28 0.00 0.02 0.00 0.00 54.13 54.26 1c50 s LEU 645 Cb -0.16 -3.21 -0.10 0.00 0.02 0.00 0.00 46.19 42.74 1c50 s LEU 645 CO 0.11 -1.52 1.27 -0.70 0.02 0.00 0.00 176.35 175.53 1c50 s GLU 646 N 5.05 4.36 -1.27 1.70 2.12 -1.26 -3.93 118.70 125.47 1c50 s GLU 646 Ca 0.47 2.14 -0.05 0.00 0.36 0.00 0.00 54.97 57.89 1c50 s GLU 646 Cb -0.09 -3.05 -0.01 0.00 0.26 0.00 0.00 34.13 31.25 1c50 s GLU 646 CO 0.27 -0.15 0.67 -1.71 -0.54 0.00 0.00 175.26 173.79 1c50 n ASN 647 N 0.78 -2.28 -4.67 -1.70 5.15 -1.25 -4.88 115.26 106.41 1c50 n ASN 647 Ca 0.00 -0.90 -0.42 0.00 -0.60 0.00 0.00 54.58 52.66 1c50 n ASN 647 Cb 0.43 -3.76 -0.03 0.00 -0.53 0.00 0.00 39.78 35.88 1c50 n ASN 647 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1c50 s TYR 648 N -3.67 1.97 0.34 1.20 5.04 -1.26 -4.87 117.35 116.10 1c50 s TYR 648 Ca 0.14 0.03 -0.04 0.00 -2.44 0.00 0.00 57.07 54.76 1c50 s TYR 648 Cb -0.04 -4.06 0.01 0.00 0.35 0.00 0.00 41.96 38.22 1c50 s TYR 648 CO 0.83 -4.45 0.49 -0.98 -1.34 0.00 0.00 175.55 170.11 1c50 s ARG 649 N 3.49 1.90 0.16 4.97 1.70 -1.26 -4.73 118.95 125.19 1c50 s ARG 649 Ca 0.79 -1.70 -0.18 0.00 -0.47 0.00 0.00 55.73 54.16 1c50 s ARG 649 Cb -0.40 0.46 0.07 0.00 -0.57 0.00 0.00 34.95 34.51 1c50 s ARG 649 CO 0.35 -0.79 1.67 0.28 -1.08 0.00 0.00 175.30 175.72 1c50 h VAL 650 N 2.12 0.60 -0.56 4.99 2.07 -1.97 0.69 116.25 124.19 1c50 h VAL 650 Ca -0.28 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 1c50 h VAL 650 Cb 1.24 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 1c50 h VAL 650 CO 0.39 0.00 0.31 0.77 0.02 0.00 0.00 177.57 179.06 1c50 h SER 651 N -0.04 0.68 0.65 0.57 4.64 -1.97 -1.66 113.55 116.43 1c50 h SER 651 Ca 0.17 -0.04 -0.16 0.00 -0.47 0.00 0.00 61.79 61.29 1c50 h SER 651 Cb 0.30 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 1c50 h SER 651 CO -0.38 0.55 -0.73 0.25 -0.87 0.00 0.00 176.83 175.65 1c50 h LEU 652 N 0.78 0.08 -1.09 5.97 5.85 -1.68 -3.00 115.31 122.21 1c50 h LEU 652 Ca 0.20 -0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.79 1c50 h LEU 652 Cb 0.01 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1c50 h LEU 652 CO -0.03 0.78 -0.16 0.00 -0.34 0.00 0.00 178.44 178.68 1c50 h ALA 653 N 1.22 1.24 0.00 1.25 0.00 -0.01 -1.36 119.26 121.59 1c50 h ALA 653 Ca -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1c50 h ALA 653 Cb 1.29 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1c50 h ALA 653 CO 0.10 0.50 0.00 0.93 0.00 0.00 0.00 179.25 180.78 1c50 h GLU 654 N 0.42 0.00 0.02 0.00 5.08 -1.20 -2.68 114.58 116.21 1c50 h GLU 654 Ca 0.07 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.14 1c50 h GLU 654 Cb 0.53 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 1c50 h GLU 654 CO 0.03 0.00 -1.63 1.63 -1.00 0.00 0.00 179.01 178.05 1c50 n LYS 655 N -2.82 0.60 0.01 2.33 5.02 -0.56 -4.49 118.16 118.25 1c50 n LYS 655 Ca -0.01 0.47 -0.13 0.00 -2.02 0.00 0.00 58.31 56.62 1c50 n LYS 655 Cb 0.18 -1.69 -0.09 0.00 -0.02 0.00 0.00 35.03 33.40 1c50 n LYS 655 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1c50 h VAL 656 N -0.81 1.24 -0.58 -0.18 -1.51 -1.41 -3.34 116.25 109.66 1c50 h VAL 656 Ca -0.43 -1.09 0.12 0.00 -1.23 0.00 0.00 66.70 64.07 1c50 h VAL 656 Cb 1.48 1.94 -0.11 0.00 -2.13 0.00 0.00 31.29 32.48 1c50 h VAL 656 CO -0.20 0.27 -0.12 0.40 -1.23 0.00 0.00 177.57 176.69 1c50 h ILE 657 N -0.57 0.43 0.00 7.19 2.04 -1.74 0.31 117.51 125.17 1c50 h ILE 657 Ca -0.01 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1c50 h ILE 657 Cb 0.50 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1c50 h ILE 657 CO 0.01 0.00 0.00 -0.65 0.00 0.00 0.00 178.15 177.52 1c50 h PRO 658 N 0.02 0.00 -0.03 2.37 0.11 -1.79 -2.47 132.00 130.22 1c50 h PRO 658 Ca 0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.39 1c50 h PRO 658 Cb 0.44 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.55 1c50 h PRO 658 CO -0.58 0.00 -0.10 0.00 -0.21 0.00 0.00 178.00 177.10 1c50 n ALA 659 N -1.97 2.70 -1.98 -0.75 0.00 0.10 -4.75 120.51 113.86 1c50 n ALA 659 Ca -0.01 -0.67 -0.34 0.00 0.00 0.00 0.00 53.44 52.42 1c50 n ALA 659 Cb 0.13 -0.78 -0.06 0.00 0.00 0.00 0.00 19.45 18.74 1c50 n ALA 659 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1c50 s ALA 660 N -2.03 3.22 -0.15 0.00 0.00 -0.67 -4.60 121.76 117.53 1c50 s ALA 660 Ca 0.25 0.24 0.01 0.00 0.00 0.00 0.00 51.96 52.46 1c50 s ALA 660 Cb 0.19 -2.96 -0.10 0.00 0.00 0.00 0.00 23.12 20.25 1c50 s ALA 660 CO 0.35 0.24 -0.13 -0.25 0.00 0.00 0.00 175.76 175.97 1c50 n ASP 661 N -0.23 2.81 -4.10 0.00 8.00 -0.64 -4.24 116.55 118.14 1c50 n ASP 661 Ca 0.04 -0.08 -0.31 0.00 0.71 0.00 0.00 54.79 55.15 1c50 n ASP 661 Cb 0.53 -0.20 -0.16 0.00 -0.02 0.00 0.00 41.12 41.26 1c50 n ASP 661 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1c50 s LEU 662 N -5.84 1.92 -0.24 0.64 0.20 -0.59 -0.57 118.68 114.20 1c50 s LEU 662 Ca -0.20 -0.53 -0.09 0.00 0.69 0.00 0.00 54.13 54.00 1c50 s LEU 662 Cb 0.05 -1.29 -0.04 0.00 -0.43 0.00 0.00 46.19 44.48 1c50 s LEU 662 CO 0.35 0.03 0.13 -0.55 -0.29 0.00 0.00 176.35 176.02 1c50 s SER 663 N 1.03 5.77 -0.42 3.68 0.15 -0.19 -1.32 113.70 122.40 1c50 s SER 663 Ca -0.04 0.00 -0.17 0.00 0.70 0.00 0.00 55.95 56.45 1c50 s SER 663 Cb -0.15 -2.04 0.02 0.00 -1.71 0.00 0.00 66.02 62.15 1c50 s SER 663 CO -0.04 0.04 0.42 -1.61 1.20 0.00 0.00 173.24 173.24 1c50 s GLU 664 N 1.20 3.08 -0.58 5.44 0.41 -0.95 -2.13 118.70 125.19 1c50 s GLU 664 Ca 0.06 -0.79 0.06 0.00 -0.41 0.00 0.00 54.97 53.89 1c50 s GLU 664 Cb -0.14 -3.97 0.26 0.00 -1.78 0.00 0.00 34.13 28.50 1c50 s GLU 664 CO 0.05 -0.83 0.71 1.04 -0.49 0.00 0.00 175.26 175.74 1c50 n GLN 665 N 5.53 2.17 -1.28 1.61 1.13 -1.02 -4.78 117.38 120.74 1c50 n GLN 665 Ca -0.08 -4.36 -0.25 0.00 -1.94 0.00 0.00 57.00 50.36 1c50 n GLN 665 Cb 0.47 -2.03 0.13 0.00 0.11 0.00 0.00 30.24 28.92 1c50 n GLN 665 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 1c50 n ILE 666 N 0.90 3.21 -1.13 5.09 -5.35 -1.26 -2.60 119.36 118.21 1c50 n ILE 666 Ca 0.28 -2.66 -0.31 0.00 -0.27 0.00 0.00 62.75 59.78 1c50 n ILE 666 Cb 0.44 -0.78 0.11 0.00 -1.74 0.00 0.00 39.64 37.67 1c50 n ILE 666 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1c50 s SER 667 N -1.92 3.99 0.14 7.28 1.04 -1.26 -4.62 113.70 118.36 1c50 s SER 667 Ca 0.58 2.01 -0.31 0.00 0.48 0.00 0.00 55.95 58.71 1c50 s SER 667 Cb 0.47 -2.55 -0.08 0.00 0.10 0.00 0.00 66.02 63.97 1c50 s SER 667 CO 0.04 -2.38 1.36 -0.89 0.98 0.00 0.00 173.24 172.35 1c50 s THR 668 N -2.68 3.27 -0.13 2.02 2.01 -1.14 -4.67 115.64 114.32 1c50 s THR 668 Ca 0.65 0.95 -0.39 0.00 0.31 0.00 0.00 61.69 63.21 1c50 s THR 668 Cb -0.20 -3.61 -0.17 0.00 0.01 0.00 0.00 72.50 68.53 1c50 s THR 668 CO 0.54 0.10 1.53 0.00 -0.69 0.00 0.00 174.62 176.10 1c50 n ALA 669 N 3.53 -0.84 -0.17 7.40 0.00 -1.26 -1.76 120.51 127.40 1c50 n ALA 669 Ca 0.10 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1c50 n ALA 669 Cb 0.42 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.76 1c50 n ALA 669 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1c50 n GLY 670 N 3.33 0.61 0.09 0.00 0.00 -1.26 -4.63 105.19 103.34 1c50 n GLY 670 Ca 0.23 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.15 1c50 n GLY 670 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1c50 n THR 671 N -2.00 1.25 -3.17 2.61 -2.24 -0.72 -4.84 114.28 105.17 1c50 n THR 671 Ca 0.00 -0.71 -0.43 0.00 -2.27 0.00 0.00 64.05 60.63 1c50 n THR 671 Cb 0.00 -0.68 -0.07 0.00 -2.10 0.00 0.00 70.33 67.48 1c50 n THR 671 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1c50 s GLU 672 N -2.44 3.15 0.20 -0.78 2.56 -1.26 -4.72 118.70 115.41 1c50 s GLU 672 Ca -0.13 -0.75 -0.19 0.00 0.00 0.00 0.00 54.97 53.89 1c50 s GLU 672 Cb 0.06 -4.05 0.16 0.00 2.00 0.00 0.00 34.13 32.30 1c50 s GLU 672 CO 0.70 -1.13 1.58 0.00 -0.56 0.00 0.00 175.26 175.85 1c50 h ALA 673 N 8.94 0.04 0.00 6.30 0.00 -1.89 -2.94 119.26 129.70 1c50 h ALA 673 Ca -0.27 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1c50 h ALA 673 Cb 1.10 0.81 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1c50 h ALA 673 CO 0.93 -0.65 0.00 0.45 0.00 0.00 0.00 179.25 179.98 1c50 n SER 674 N -5.45 -0.46 0.00 0.00 2.88 -1.26 -4.26 113.62 105.07 1c50 n SER 674 Ca 0.06 0.36 0.00 0.00 -1.33 0.00 0.00 58.87 57.96 1c50 n SER 674 Cb 0.37 0.59 0.00 0.00 -0.75 0.00 0.00 64.21 64.42 1c50 n SER 674 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1c50 n GLY 675 N 1.12 0.08 0.00 0.46 0.00 -1.26 -1.46 105.19 104.13 1c50 n GLY 675 Ca 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.50 1c50 n GLY 675 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1c50 n THR 676 N 0.58 0.00 0.07 2.61 -2.24 -1.26 -4.73 114.28 109.32 1c50 n THR 676 Ca 0.00 -0.02 -0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1c50 n THR 676 Cb 0.00 0.27 0.29 0.00 -2.10 0.00 0.00 70.33 68.79 1c50 n THR 676 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1c50 h GLY 677 N 0.00 0.35 1.06 3.38 0.00 -1.95 -2.30 103.07 103.62 1c50 h GLY 677 Ca 0.00 -0.26 0.04 0.00 0.00 0.00 0.00 47.33 47.11 1c50 h GLY 677 CO 0.00 0.24 0.52 3.45 0.00 0.00 0.00 176.54 180.75 1c50 h ASN 678 N 0.30 0.82 0.28 0.19 -0.00 -1.94 -1.52 115.58 113.70 1c50 h ASN 678 Ca 0.05 -0.01 -0.21 0.00 -0.00 0.00 0.00 56.30 56.13 1c50 h ASN 678 Cb 0.55 -0.19 0.00 0.00 -0.00 0.00 0.00 38.32 38.69 1c50 h ASN 678 CO 0.04 0.56 -0.86 0.24 -0.00 0.00 0.00 177.43 177.41 1c50 h MET 679 N 0.95 0.43 -0.70 4.14 2.86 -1.75 -2.70 114.93 118.16 1c50 h MET 679 Ca 0.32 -0.42 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 1c50 h MET 679 Cb 0.09 0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 1c50 h MET 679 CO -0.10 1.07 0.38 0.87 1.06 0.00 0.00 176.91 180.19 1c50 h LYS 680 N 0.27 0.98 -0.55 1.72 1.57 -0.78 -2.56 116.57 117.22 1c50 h LYS 680 Ca -0.06 -0.12 -0.09 0.00 -1.87 0.00 0.00 60.65 58.51 1c50 h LYS 680 Cb 1.47 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.57 1c50 h LYS 680 CO 0.15 0.74 -0.02 0.74 -0.57 0.00 0.00 179.45 180.49 1c50 h PHE 681 N 0.96 1.07 -0.83 -1.35 0.04 -1.30 -2.95 116.94 112.59 1c50 h PHE 681 Ca 0.25 -0.19 0.01 0.00 2.80 0.00 0.00 57.97 60.83 1c50 h PHE 681 Cb 0.05 -0.28 -0.04 0.00 2.20 0.00 0.00 35.95 37.88 1c50 h PHE 681 CO -0.00 0.98 0.55 1.98 -0.60 0.00 0.00 178.31 181.21 1c50 h MET 682 N 0.86 1.09 0.00 1.51 4.05 -1.28 -2.40 114.93 118.75 1c50 h MET 682 Ca 0.15 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.51 1c50 h MET 682 Cb 0.56 -0.25 0.00 0.00 -0.80 0.00 0.00 31.60 31.12 1c50 h MET 682 CO 0.03 0.72 0.00 1.25 0.23 0.00 0.00 176.91 179.14 1c50 h LEU 683 N 1.12 0.00 -3.22 3.39 5.85 -1.39 -3.27 115.31 117.79 1c50 h LEU 683 Ca 0.30 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.02 1c50 h LEU 683 Cb -0.13 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.90 1c50 h LEU 683 CO -0.07 0.00 0.00 0.59 -0.34 0.00 0.00 178.44 178.62 1c50 n ASN 684 N -3.09 4.39 0.00 1.25 3.02 -0.94 -4.93 115.26 114.97 1c50 n ASN 684 Ca 0.01 -2.65 0.00 0.00 -0.03 0.00 0.00 54.58 51.91 1c50 n ASN 684 Cb 0.34 -0.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.98 1c50 n ASN 684 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1c50 n GLY 685 N 0.41 0.83 3.65 7.41 0.00 -1.17 -4.79 105.19 111.53 1c50 n GLY 685 Ca 0.23 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 1c50 n GLY 685 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c50 s ALA 686 N -2.00 3.18 0.16 4.61 0.00 -1.00 -4.79 121.76 121.92 1c50 s ALA 686 Ca 0.00 -1.20 -0.06 0.00 0.00 0.00 0.00 51.96 50.70 1c50 s ALA 686 Cb 0.00 -1.07 -0.06 0.00 0.00 0.00 0.00 23.12 22.00 1c50 s ALA 686 CO 0.00 0.64 0.41 -0.51 0.00 0.00 0.00 175.76 176.30 1c50 s LEU 687 N -2.41 4.25 -0.19 0.00 1.02 0.27 -4.47 118.68 117.15 1c50 s LEU 687 Ca 0.25 0.66 -0.04 0.00 0.02 0.00 0.00 54.13 55.01 1c50 s LEU 687 Cb -0.11 -3.39 -0.02 0.00 0.02 0.00 0.00 46.19 42.69 1c50 s LEU 687 CO 0.17 0.03 -0.02 -0.89 0.02 0.00 0.00 176.35 175.66 1c50 s THR 688 N -1.69 3.87 -0.28 5.49 2.01 -1.26 -1.02 115.64 122.76 1c50 s THR 688 Ca 0.42 -0.35 -0.06 0.00 0.31 0.00 0.00 61.69 62.02 1c50 s THR 688 Cb -0.12 -2.73 0.00 0.00 0.01 0.00 0.00 72.50 69.66 1c50 s THR 688 CO 0.24 0.45 0.05 -0.51 -0.69 0.00 0.00 174.62 174.16 1c50 s ILE 689 N 0.86 3.84 0.24 1.82 2.07 -0.90 -1.42 121.20 127.71 1c50 s ILE 689 Ca 0.00 -0.63 -0.21 0.00 -1.41 0.00 0.00 60.65 58.40 1c50 s ILE 689 Cb -0.14 -2.93 0.06 0.00 0.13 0.00 0.00 42.46 39.58 1c50 s ILE 689 CO 0.02 0.17 0.93 -0.83 -1.91 0.00 0.00 174.94 173.31 1c50 s GLY 690 N 1.50 0.09 0.58 1.50 0.00 -0.33 -2.45 107.32 108.22 1c50 s GLY 690 Ca 0.03 -0.35 -0.02 0.00 0.00 0.00 0.00 44.72 44.38 1c50 s GLY 690 CO 0.01 0.94 0.84 -0.51 0.00 0.00 0.00 173.10 174.38 1c50 s THR 691 N -2.59 2.84 -1.43 0.90 -4.23 -1.07 -2.47 115.64 107.59 1c50 s THR 691 Ca 0.17 -0.46 -0.13 0.00 -1.18 0.00 0.00 61.69 60.09 1c50 s THR 691 Cb -0.03 -3.11 0.06 0.00 1.34 0.00 0.00 72.50 70.76 1c50 s THR 691 CO 0.06 -0.10 2.17 0.23 -0.54 0.00 0.00 174.62 176.45 1c50 n MET 692 N -2.50 3.02 -4.38 3.99 2.81 -1.26 -4.67 117.12 114.13 1c50 n MET 692 Ca 0.07 -2.78 -0.23 0.00 -1.81 0.00 0.00 57.70 52.94 1c50 n MET 692 Cb 0.59 -3.21 -0.13 0.00 -0.71 0.00 0.00 33.22 29.77 1c50 n MET 692 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1c50 s ASP 693 N 2.71 2.28 0.36 7.83 2.15 -1.26 -4.61 116.67 126.13 1c50 s ASP 693 Ca 0.46 -0.60 0.00 0.00 0.43 0.00 0.00 52.55 52.84 1c50 s ASP 693 Cb 0.13 -0.14 0.00 0.00 -0.30 0.00 0.00 42.92 42.61 1c50 s ASP 693 CO -0.07 0.07 0.00 0.61 -0.17 0.00 0.00 175.17 175.60 1c50 n GLY 694 N 1.44 2.18 0.19 2.66 0.00 -1.11 -1.19 105.19 109.36 1c50 n GLY 694 Ca -0.19 -0.17 0.14 0.00 0.00 0.00 0.00 46.02 45.80 1c50 n GLY 694 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c50 h ALA 695 N -0.25 1.00 -1.00 4.61 0.00 -1.44 -3.10 119.26 119.07 1c50 h ALA 695 Ca 0.00 0.00 0.22 0.00 0.00 0.00 0.00 54.91 55.13 1c50 h ALA 695 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.68 1c50 h ALA 695 CO 0.00 0.00 0.61 -0.91 0.00 0.00 0.00 179.25 178.95 1c50 h ASN 696 N 0.00 0.70 -0.16 0.00 4.21 -1.36 -0.31 115.58 118.67 1c50 h ASN 696 Ca 0.00 0.11 0.00 0.00 1.21 0.00 0.00 56.30 57.62 1c50 h ASN 696 Cb 0.37 -0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 37.55 1c50 h ASN 696 CO 0.00 0.20 0.09 0.58 -1.29 0.00 0.00 177.43 177.01 1c50 h VAL 697 N 0.66 1.03 0.00 2.81 2.07 -1.63 -1.62 116.25 119.57 1c50 h VAL 697 Ca 0.60 -0.07 -0.08 0.00 0.82 0.00 0.00 66.70 67.97 1c50 h VAL 697 Cb 1.08 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1c50 h VAL 697 CO -0.40 0.04 -0.38 -0.33 0.02 0.00 0.00 177.57 176.52 1c50 h GLU 698 N 0.20 0.00 0.00 1.57 5.08 -1.33 -1.78 114.58 118.32 1c50 h GLU 698 Ca 0.06 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1c50 h GLU 698 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1c50 h GLU 698 CO -0.02 0.38 -0.00 0.52 -1.00 0.00 0.00 179.01 178.89 1c50 h MET 699 N 0.00 -0.00 0.00 2.33 2.86 -0.80 -1.81 114.93 117.51 1c50 h MET 699 Ca -0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1c50 h MET 699 Cb 0.81 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.47 1c50 h MET 699 CO 0.05 0.50 -0.09 0.00 1.06 0.00 0.00 176.91 178.43 1c50 h ALA 700 N 0.49 1.16 0.00 6.32 0.00 -1.25 -0.07 119.26 125.91 1c50 h ALA 700 Ca -0.00 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1c50 h ALA 700 Cb 0.51 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1c50 h ALA 700 CO 0.00 0.11 -0.34 1.49 0.00 0.00 0.00 179.25 180.52 1c50 h GLU 701 N 0.00 0.00 0.12 0.00 4.81 -1.17 0.41 114.58 118.75 1c50 h GLU 701 Ca -0.00 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.89 1c50 h GLU 701 Cb 0.37 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 1c50 h GLU 701 CO 0.01 0.34 -1.78 0.93 -0.73 0.00 0.00 179.01 177.78 1c50 h GLU 702 N 0.00 0.24 0.00 1.92 4.39 -0.18 -3.37 114.58 117.58 1c50 h GLU 702 Ca -0.00 -0.42 -0.12 0.00 0.34 0.00 0.00 59.36 59.16 1c50 h GLU 702 Cb 1.19 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.98 1c50 h GLU 702 CO 0.04 1.09 -1.09 0.00 -1.16 0.00 0.00 179.01 177.90 1c50 h ALA 703 N 0.35 0.64 0.00 3.43 0.00 -1.23 -3.47 119.26 118.97 1c50 h ALA 703 Ca -0.34 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.00 1c50 h ALA 703 Cb 2.04 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.97 1c50 h ALA 703 CO 0.12 0.65 0.00 0.41 0.00 0.00 0.00 179.25 180.43 1c50 n GLY 704 N 1.31 1.70 0.32 0.00 0.00 0.11 -4.56 105.19 104.06 1c50 n GLY 704 Ca -0.05 -1.44 0.17 0.00 0.00 0.00 0.00 46.02 44.71 1c50 n GLY 704 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1c50 h GLU 705 N 0.00 0.00 0.00 1.61 5.08 -1.84 -0.54 114.58 118.89 1c50 h GLU 705 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1c50 h GLU 705 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1c50 h GLU 705 CO 0.00 0.00 -0.17 0.93 -1.00 0.00 0.00 179.01 178.77 1c50 h GLU 706 N 0.00 0.00 -0.61 2.33 3.07 -1.89 -2.58 114.58 114.90 1c50 h GLU 706 Ca 0.04 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.88 1c50 h GLU 706 Cb 0.26 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 1c50 h GLU 706 CO -0.00 0.17 0.02 0.09 -1.40 0.00 0.00 179.01 177.89 1c50 n ASN 707 N -3.54 5.54 -4.08 1.42 3.02 -0.21 -4.91 115.26 112.50 1c50 n ASN 707 Ca -0.01 -2.93 -0.11 0.00 -0.03 0.00 0.00 54.58 51.50 1c50 n ASN 707 Cb 0.32 -0.69 -0.11 0.00 -0.61 0.00 0.00 39.78 38.70 1c50 n ASN 707 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1c50 s PHE 708 N -2.73 0.64 -0.91 3.10 5.36 -0.97 -4.82 117.98 117.65 1c50 s PHE 708 Ca 0.53 -0.67 -0.04 0.00 -0.96 0.00 0.00 56.93 55.79 1c50 s PHE 708 Cb 0.41 -0.39 0.23 0.00 -0.34 0.00 0.00 43.02 42.92 1c50 s PHE 708 CO 0.15 -0.15 0.81 -0.06 -1.46 0.00 0.00 175.22 174.52 1c50 s PHE 709 N -2.21 3.92 0.11 10.12 0.08 -0.51 -4.95 117.98 124.53 1c50 s PHE 709 Ca -0.04 -2.90 -0.14 0.00 0.12 0.00 0.00 56.93 53.98 1c50 s PHE 709 Cb -0.04 -3.38 -0.06 0.00 -0.57 0.00 0.00 43.02 38.96 1c50 s PHE 709 CO -0.02 -0.80 0.50 0.42 -0.10 0.00 0.00 175.22 175.22 1c50 s ILE 710 N -1.16 4.92 0.37 0.64 1.09 -1.26 -1.19 121.20 124.62 1c50 s ILE 710 Ca 0.27 0.77 -0.09 0.00 -1.10 0.00 0.00 60.65 60.50 1c50 s ILE 710 Cb -0.09 -3.73 0.03 0.00 -1.06 0.00 0.00 42.46 37.62 1c50 s ILE 710 CO -0.11 0.32 0.64 0.72 -0.10 0.00 0.00 174.94 176.42 1c50 s PHE 711 N -1.37 0.61 0.14 3.97 -0.71 -1.03 -4.95 117.98 114.63 1c50 s PHE 711 Ca 0.34 -1.07 0.00 0.00 -1.04 0.00 0.00 56.93 55.16 1c50 s PHE 711 Cb -0.15 0.39 0.00 0.00 -1.21 0.00 0.00 43.02 42.05 1c50 s PHE 711 CO 0.18 -1.38 0.00 0.41 -1.34 0.00 0.00 175.22 173.09 1c50 n GLY 712 N -0.56 -2.02 3.75 1.99 0.00 -1.26 -4.35 105.19 102.74 1c50 n GLY 712 Ca -0.04 -1.34 -0.36 0.00 0.00 0.00 0.00 46.02 44.29 1c50 n GLY 712 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1c50 s MET 713 N -1.37 2.92 0.33 1.61 -1.94 -1.26 -4.90 119.30 114.69 1c50 s MET 713 Ca 0.00 1.80 0.07 0.00 -1.71 0.00 0.00 55.69 55.85 1c50 s MET 713 Cb 0.00 -1.93 -0.02 0.00 2.01 0.00 0.00 34.83 34.90 1c50 s MET 713 CO 0.00 -1.24 0.39 1.03 -0.01 0.00 0.00 175.02 175.19 1c50 s ARG 714 N -3.40 2.98 0.30 2.03 1.81 -1.26 -4.52 118.95 116.90 1c50 s ARG 714 Ca 0.77 -1.11 0.00 0.00 -1.72 0.00 0.00 55.73 53.67 1c50 s ARG 714 Cb -0.30 -2.68 0.70 0.00 -0.45 0.00 0.00 34.95 32.22 1c50 s ARG 714 CO 0.34 0.11 1.58 0.28 -0.68 0.00 0.00 175.30 176.93 1c50 h VAL 715 N 1.07 0.06 -0.87 3.52 2.07 -1.82 0.12 116.25 120.39 1c50 h VAL 715 Ca -0.46 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.10 1c50 h VAL 715 Cb 1.25 0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 1c50 h VAL 715 CO 0.56 0.00 0.57 -0.33 0.02 0.00 0.00 177.57 178.39 1c50 h GLU 716 N 0.02 1.03 0.00 1.57 3.07 -1.94 -2.05 114.58 116.28 1c50 h GLU 716 Ca 0.57 -0.06 -0.14 0.00 -0.50 0.00 0.00 59.36 59.23 1c50 h GLU 716 Cb 1.15 -0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 28.81 1c50 h GLU 716 CO -0.90 0.68 -0.65 -0.44 -1.40 0.00 0.00 179.01 176.30 1c50 h ASP 717 N 1.06 0.00 -0.32 1.42 3.32 -1.15 -1.54 116.42 119.21 1c50 h ASP 717 Ca 0.35 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.34 1c50 h ASP 717 Cb 0.07 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1c50 h ASP 717 CO -0.11 0.65 -0.04 0.58 -1.72 0.00 0.00 179.24 178.60 1c50 h VAL 718 N 0.00 1.27 -0.60 -1.35 2.07 -0.90 -1.61 116.25 115.14 1c50 h VAL 718 Ca -0.01 -1.05 -0.08 0.00 0.82 0.00 0.00 66.70 66.39 1c50 h VAL 718 Cb 1.17 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 32.23 1c50 h VAL 718 CO 0.08 0.34 0.06 0.44 0.02 0.00 0.00 177.57 178.51 1c50 h ASP 719 N 0.37 0.95 -0.66 0.57 3.32 -1.33 -1.16 116.42 118.49 1c50 h ASP 719 Ca 0.08 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 56.88 1c50 h ASP 719 Cb 0.51 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 1c50 h ASP 719 CO 0.02 0.98 0.32 -0.09 -1.72 0.00 0.00 179.24 178.76 1c50 h ARG 720 N 0.93 0.95 -0.41 3.56 2.43 -1.16 -1.07 114.38 119.61 1c50 h ARG 720 Ca 0.18 -0.14 -0.07 0.00 -0.81 0.00 0.00 59.98 59.15 1c50 h ARG 720 Cb 0.46 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 1c50 h ARG 720 CO 0.02 0.75 -0.03 1.25 -1.51 0.00 0.00 179.97 180.45 1c50 h LEU 721 N 0.92 0.63 -0.57 3.80 6.46 -0.92 -2.16 115.31 123.47 1c50 h LEU 721 Ca 0.23 -0.15 -0.15 0.00 -0.12 0.00 0.00 57.88 57.69 1c50 h LEU 721 Cb 0.11 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 39.86 1c50 h LEU 721 CO -0.03 0.72 -0.47 0.44 -0.62 0.00 0.00 178.44 178.48 1c50 h ASP 722 N 0.62 0.65 0.35 1.25 3.32 -0.69 1.17 116.42 123.10 1c50 h ASP 722 Ca 0.12 -0.32 -0.02 0.00 0.02 0.00 0.00 57.03 56.84 1c50 h ASP 722 Cb 0.43 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1c50 h ASP 722 CO 0.02 1.02 -0.17 1.56 -1.72 0.00 0.00 179.24 179.96 1c50 h GLN 723 N 0.48 -0.45 -0.30 3.56 1.08 -0.99 -3.07 115.11 115.42 1c50 h GLN 723 Ca 0.03 0.03 0.02 0.00 -1.45 0.00 0.00 58.65 57.28 1c50 h GLN 723 Cb 1.01 0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 28.51 1c50 h GLN 723 CO 0.09 -0.22 0.15 -0.09 -0.95 0.00 0.00 178.83 177.82 1c50 h ARG 724 N -0.61 0.31 0.00 1.46 2.43 -1.30 -3.49 114.38 113.18 1c50 h ARG 724 Ca -0.05 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1c50 h ARG 724 Cb 0.45 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1c50 h ARG 724 CO 0.08 0.20 0.00 0.41 -1.51 0.00 0.00 179.97 179.15 1c50 n GLY 725 N -1.19 2.79 3.66 2.80 0.00 0.40 -5.04 105.19 108.61 1c50 n GLY 725 Ca -0.01 -1.14 -0.43 0.00 0.00 0.00 0.00 46.02 44.45 1c50 n GLY 725 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1c50 s TYR 726 N 0.00 3.18 -0.29 1.61 5.04 -1.19 -4.87 117.35 120.83 1c50 s TYR 726 Ca 0.00 1.31 0.03 0.00 -2.44 0.00 0.00 57.07 55.96 1c50 s TYR 726 Cb 0.00 -3.41 0.08 0.00 0.35 0.00 0.00 41.96 38.98 1c50 s TYR 726 CO 0.00 -0.83 -0.02 1.21 -1.34 0.00 0.00 175.55 174.57 1c50 s ASN 727 N 1.50 4.40 0.40 4.32 3.84 -1.26 -5.00 114.94 123.13 1c50 s ASN 727 Ca 0.47 -1.66 0.09 0.00 0.21 0.00 0.00 52.86 51.97 1c50 s ASN 727 Cb -0.16 -1.44 0.82 0.00 -0.55 0.00 0.00 41.25 39.93 1c50 s ASN 727 CO 0.10 -0.29 1.96 0.00 -2.79 0.00 0.00 177.10 176.08 1c50 h ALA 728 N 7.78 1.58 -0.85 1.71 0.00 -1.87 -2.96 119.26 124.64 1c50 h ALA 728 Ca -0.13 -0.14 0.15 0.00 0.00 0.00 0.00 54.91 54.79 1c50 h ALA 728 Cb 1.04 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 1c50 h ALA 728 CO 0.47 0.31 0.56 0.37 0.00 0.00 0.00 179.25 180.96 1c50 h GLN 729 N 0.31 0.58 -0.14 0.00 5.75 -1.93 -2.08 115.11 117.61 1c50 h GLN 729 Ca 0.07 -0.04 0.03 0.00 -0.15 0.00 0.00 58.65 58.56 1c50 h GLN 729 Cb 0.23 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.63 1c50 h GLN 729 CO 0.01 0.39 -0.02 1.49 -2.65 0.00 0.00 178.83 178.04 1c50 h GLU 730 N 0.60 0.02 -0.50 1.69 4.81 -1.95 0.18 114.58 119.43 1c50 h GLU 730 Ca 0.43 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.57 1c50 h GLU 730 Cb 0.78 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.13 1c50 h GLU 730 CO -0.18 0.02 -0.01 1.88 -0.73 0.00 0.00 179.01 179.99 1c50 h TYR 731 N 0.02 0.91 -0.47 0.92 -1.99 -1.57 -1.49 116.97 113.31 1c50 h TYR 731 Ca 0.07 -0.14 -0.08 0.00 2.00 0.00 0.00 58.73 60.58 1c50 h TYR 731 Cb 0.09 -0.25 -0.02 0.00 2.00 0.00 0.00 36.73 38.56 1c50 h TYR 731 CO -0.16 0.84 -0.03 -0.92 -0.00 0.00 0.00 178.16 177.88 1c50 h TYR 732 N 0.79 0.86 -0.27 4.88 5.03 -0.99 -2.18 116.97 125.09 1c50 h TYR 732 Ca 0.15 -0.13 -0.19 0.00 2.58 0.00 0.00 58.73 61.14 1c50 h TYR 732 Cb 0.49 -0.23 0.00 0.00 1.55 0.00 0.00 36.73 38.54 1c50 h TYR 732 CO 0.03 0.81 -0.57 -0.44 -1.32 0.00 0.00 178.16 176.67 1c50 h ASP 733 N 0.74 0.96 0.41 -2.11 3.32 -0.24 -3.33 116.42 116.17 1c50 h ASP 733 Ca 0.14 -0.53 0.00 0.00 0.02 0.00 0.00 57.03 56.66 1c50 h ASP 733 Cb 0.50 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1c50 h ASP 733 CO 0.03 1.33 -0.42 0.54 -1.72 0.00 0.00 179.24 178.99 1c50 n ARG 734 N -4.00 0.28 -3.97 3.56 5.12 -0.60 -4.75 116.66 112.30 1c50 n ARG 734 Ca -0.05 -0.16 -0.31 0.00 -1.93 0.00 0.00 57.85 55.41 1c50 n ARG 734 Cb 0.64 -1.50 -0.15 0.00 -1.16 0.00 0.00 32.46 30.29 1c50 n ARG 734 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1c50 s ILE 735 N -2.83 2.03 0.31 0.55 1.01 -0.83 -4.99 121.20 116.44 1c50 s ILE 735 Ca 0.16 -2.16 0.03 0.00 0.00 0.00 0.00 60.65 58.67 1c50 s ILE 735 Cb 0.18 -2.50 0.29 0.00 0.01 0.00 0.00 42.46 40.45 1c50 s ILE 735 CO 0.64 -0.60 1.86 -0.65 0.00 0.00 0.00 174.94 176.19 1c50 h PRO 736 N 7.70 0.90 -0.35 2.79 0.11 -1.85 -1.41 132.00 139.89 1c50 h PRO 736 Ca -0.06 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.91 1c50 h PRO 736 Cb 1.02 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.91 1c50 h PRO 736 CO 0.51 0.59 -0.16 0.93 -0.21 0.00 0.00 178.00 179.66 1c50 h GLU 737 N 0.92 0.63 -0.16 1.05 5.08 -1.95 -1.21 114.58 118.95 1c50 h GLU 737 Ca 0.46 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.55 1c50 h GLU 737 Cb 0.50 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 1c50 h GLU 737 CO -0.23 0.76 -0.16 1.25 -1.00 0.00 0.00 179.01 179.64 1c50 h LEU 738 N 0.57 0.41 -0.89 1.33 5.85 -1.67 -2.88 115.31 118.03 1c50 h LEU 738 Ca 0.09 -0.48 0.04 0.00 0.84 0.00 0.00 57.88 58.37 1c50 h LEU 738 Cb 0.60 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.46 1c50 h LEU 738 CO 0.04 0.81 0.58 -0.09 -0.34 0.00 0.00 178.44 179.43 1c50 h ARG 739 N 0.02 1.08 -0.93 1.25 2.43 -1.17 -2.16 114.38 114.89 1c50 h ARG 739 Ca 0.02 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1c50 h ARG 739 Cb 0.69 -0.24 -0.04 0.00 -0.42 0.00 0.00 29.97 29.95 1c50 h ARG 739 CO 0.04 0.71 0.56 0.37 -1.51 0.00 0.00 179.97 180.14 1c50 h GLN 740 N 1.11 1.26 0.23 0.20 4.15 -1.17 -1.43 115.11 119.47 1c50 h GLN 740 Ca 0.36 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 59.66 1c50 h GLN 740 Cb 0.03 -0.27 0.00 0.00 0.21 0.00 0.00 27.48 27.46 1c50 h GLN 740 CO -0.13 0.88 -0.11 0.82 -1.93 0.00 0.00 178.83 178.36 1c50 h ILE 741 N 1.28 0.83 -0.68 2.39 2.04 -1.19 -1.52 117.51 120.66 1c50 h ILE 741 Ca 0.33 -0.39 0.07 0.00 1.00 0.00 0.00 64.86 65.88 1c50 h ILE 741 Cb -0.06 1.06 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 1c50 h ILE 741 CO -0.06 0.09 0.45 0.40 0.00 0.00 0.00 178.15 179.03 1c50 h ILE 742 N -0.51 0.98 0.00 -0.67 5.03 -1.23 0.21 117.51 121.31 1c50 h ILE 742 Ca -0.03 -0.22 -0.00 0.00 -0.12 0.00 0.00 64.86 64.48 1c50 h ILE 742 Cb 0.38 0.27 -0.00 0.00 -3.03 0.00 0.00 36.82 34.45 1c50 h ILE 742 CO 0.05 0.12 -0.01 -0.33 -0.68 0.00 0.00 178.15 177.30 1c50 h GLU 743 N 0.65 0.00 0.07 2.37 5.08 -1.12 -0.68 114.58 120.95 1c50 h GLU 743 Ca 0.30 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.42 1c50 h GLU 743 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1c50 h GLU 743 CO -0.10 0.01 -1.09 1.96 -1.00 0.00 0.00 179.01 178.79 1c50 h GLN 744 N 0.00 0.30 -0.05 2.33 4.20 0.41 -2.41 115.11 119.89 1c50 h GLN 744 Ca -0.00 -0.42 -0.22 0.00 0.06 0.00 0.00 58.65 58.07 1c50 h GLN 744 Cb 0.79 0.14 0.02 0.00 0.30 0.00 0.00 27.48 28.73 1c50 h GLN 744 CO 0.00 1.14 -0.84 -0.07 -0.67 0.00 0.00 178.83 178.39 1c50 h LEU 745 N 0.13 0.83 -0.54 1.46 3.38 -0.89 -1.62 115.31 118.06 1c50 h LEU 745 Ca -0.10 -0.70 -0.12 0.00 0.09 0.00 0.00 57.88 57.05 1c50 h LEU 745 Cb 1.78 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 42.26 1c50 h LEU 745 CO 0.18 1.42 -0.13 0.28 0.09 0.00 0.00 178.44 180.28 1c50 h SER 746 N 0.32 1.04 0.64 -0.43 0.02 -1.19 -3.16 113.55 110.79 1c50 h SER 746 Ca -0.09 -0.36 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1c50 h SER 746 Cb 1.50 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1c50 h SER 746 CO 0.17 1.16 0.00 -1.54 -1.14 0.00 0.00 176.83 175.48 1c50 n SER 747 N -4.14 0.00 0.00 3.07 3.41 -0.91 -4.68 113.62 110.37 1c50 n SER 747 Ca 0.01 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 1c50 n SER 747 Cb 0.42 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1c50 n SER 747 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1c50 n GLY 748 N 1.14 0.65 0.28 5.00 0.00 -1.19 -4.85 105.19 106.20 1c50 n GLY 748 Ca 0.11 -0.66 0.12 0.00 0.00 0.00 0.00 46.02 45.59 1c50 n GLY 748 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1c50 h PHE 749 N 0.00 0.00 -0.01 1.61 3.57 -1.55 -1.94 116.94 118.62 1c50 h PHE 749 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1c50 h PHE 749 Cb 0.04 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.78 1c50 h PHE 749 CO 0.00 0.02 -0.43 1.19 -2.23 0.00 0.00 178.31 176.86 1c50 n PHE 750 N -4.12 0.00 -3.12 0.41 3.72 -1.26 -4.66 117.46 108.43 1c50 n PHE 750 Ca -0.03 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.17 1c50 n PHE 750 Cb 0.11 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.60 1c50 n PHE 750 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1c50 n SER 751 N -0.21 -1.01 0.01 4.37 3.41 -0.76 -4.80 113.62 114.64 1c50 n SER 751 Ca 0.07 -2.72 -0.11 0.00 -0.26 0.00 0.00 58.87 55.85 1c50 n SER 751 Cb 0.38 0.10 -0.04 0.00 -0.26 0.00 0.00 64.21 64.39 1c50 n SER 751 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1c50 h PRO 752 N 4.63 -0.39 0.00 4.33 0.11 -1.74 -1.85 132.00 137.09 1c50 h PRO 752 Ca 0.09 0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.18 1c50 h PRO 752 Cb 0.94 0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1c50 h PRO 752 CO 0.35 -0.26 -0.25 0.87 -0.21 0.00 0.00 178.00 178.51 1c50 h LYS 753 N -0.41 0.00 -2.70 1.05 1.57 -1.96 -3.30 116.57 110.82 1c50 h LYS 753 Ca 0.09 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.26 1c50 h LYS 753 Cb 0.54 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.45 1c50 h LYS 753 CO -0.33 0.25 -0.73 1.04 -0.57 0.00 0.00 179.45 179.11 1c50 n GLN 754 N -4.11 1.37 -0.23 3.15 6.02 -0.94 -4.98 117.38 117.67 1c50 n GLN 754 Ca -0.02 -4.05 0.24 0.00 -0.01 0.00 0.00 57.00 53.15 1c50 n GLN 754 Cb 0.31 -2.04 0.60 0.00 1.02 0.00 0.00 30.24 30.14 1c50 n GLN 754 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1c50 h PRO 755 N 5.22 0.22 -0.60 -1.09 0.11 -1.43 -1.69 132.00 132.75 1c50 h PRO 755 Ca 0.19 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1c50 h PRO 755 Cb 0.79 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1c50 h PRO 755 CO 0.62 0.15 0.00 -0.40 -0.21 0.00 0.00 178.00 178.15 1c50 n ASP 756 N -4.42 4.73 -0.31 -2.05 5.75 -1.26 -3.19 116.55 115.79 1c50 n ASP 756 Ca 0.20 -2.52 0.13 0.00 -0.01 0.00 0.00 54.79 52.58 1c50 n ASP 756 Cb 0.84 -0.57 0.36 0.00 -1.03 0.00 0.00 41.12 40.72 1c50 n ASP 756 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1c50 h LEU 757 N 3.80 0.71 -3.66 -2.12 5.85 -1.63 -2.33 115.31 115.93 1c50 h LEU 757 Ca 0.00 0.06 -0.21 0.00 0.84 0.00 0.00 57.88 58.57 1c50 h LEU 757 Cb 1.48 -0.07 -0.12 0.00 0.37 0.00 0.00 40.66 42.31 1c50 h LEU 757 CO 0.25 0.32 0.23 0.49 -0.34 0.00 0.00 178.44 179.38 1c50 n PHE 758 N -4.63 2.20 0.24 1.25 3.72 -1.26 -4.54 117.46 114.43 1c50 n PHE 758 Ca 0.20 -1.25 0.07 0.00 -0.05 0.00 0.00 57.45 56.42 1c50 n PHE 758 Cb 0.52 -0.65 0.57 0.00 -0.94 0.00 0.00 39.48 38.98 1c50 n PHE 758 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1c50 h LYS 759 N 2.31 0.00 -0.50 -1.08 2.10 -1.74 -2.45 116.57 115.22 1c50 h LYS 759 Ca 0.26 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.78 1c50 h LYS 759 Cb 2.21 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.52 1c50 h LYS 759 CO 0.67 0.13 -0.18 -0.44 -2.00 0.00 0.00 179.45 177.63 1c50 h ASP 760 N 0.00 1.02 -0.16 7.07 3.32 -1.83 0.09 116.42 125.93 1c50 h ASP 760 Ca -0.00 -0.37 -0.08 0.00 0.02 0.00 0.00 57.03 56.59 1c50 h ASP 760 Cb 0.24 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 1c50 h ASP 760 CO 0.02 1.17 -0.23 0.40 -1.72 0.00 0.00 179.24 178.87 1c50 h ILE 761 N 0.87 1.35 -0.66 0.35 2.04 -1.80 -1.92 117.51 117.74 1c50 h ILE 761 Ca 0.12 -1.44 -0.06 0.00 1.00 0.00 0.00 64.86 64.48 1c50 h ILE 761 Cb 0.76 1.91 -0.03 0.00 -0.74 0.00 0.00 36.82 38.72 1c50 h ILE 761 CO 0.06 0.43 0.18 0.58 0.00 0.00 0.00 178.15 179.40 1c50 h VAL 762 N 0.07 1.25 0.26 1.67 2.07 -1.44 -0.56 116.25 119.58 1c50 h VAL 762 Ca 0.02 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 1c50 h VAL 762 Cb 0.80 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1c50 h VAL 762 CO 0.05 0.35 -0.13 -1.13 0.02 0.00 0.00 177.57 176.73 1c50 h ASN 763 N 0.96 -0.30 0.23 0.57 -1.24 -0.96 -2.00 115.58 112.85 1c50 h ASN 763 Ca 0.21 0.01 0.01 0.00 0.71 0.00 0.00 56.30 57.24 1c50 h ASN 763 Cb 0.34 0.08 -0.03 0.00 0.73 0.00 0.00 38.32 39.43 1c50 h ASN 763 CO -0.00 -0.21 -0.34 -0.03 -1.29 0.00 0.00 177.43 175.56 1c50 h MET 764 N -0.36 -0.61 -0.98 6.67 4.05 -1.16 0.90 114.93 123.44 1c50 h MET 764 Ca -0.04 0.04 0.20 0.00 -0.28 0.00 0.00 59.70 59.62 1c50 h MET 764 Cb 0.27 0.14 -0.10 0.00 -0.80 0.00 0.00 31.60 31.12 1c50 h MET 764 CO 0.06 -0.41 0.62 -0.07 0.23 0.00 0.00 176.91 177.34 1c50 h LEU 765 N -0.64 0.67 0.08 3.39 4.07 -1.05 0.35 115.31 122.18 1c50 h LEU 765 Ca 0.00 0.08 -0.29 0.00 0.08 0.00 0.00 57.88 57.76 1c50 h LEU 765 Cb 0.62 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 42.30 1c50 h LEU 765 CO -0.13 0.24 -1.47 0.24 -1.08 0.00 0.00 178.44 176.23 1c50 h MET 766 N 0.65 0.16 0.00 1.13 2.86 -0.98 -3.41 114.93 115.35 1c50 h MET 766 Ca 0.55 -0.28 -0.08 0.00 -2.06 0.00 0.00 59.70 57.84 1c50 h MET 766 Cb 1.01 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.76 1c50 h MET 766 CO -0.32 0.99 -1.29 0.72 1.06 0.00 0.00 176.91 178.07 1c50 n HIS 767 N -3.37 0.00 -2.94 -0.22 8.25 0.28 -4.35 115.22 112.87 1c50 n HIS 767 Ca -0.14 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.16 1c50 n HIS 767 Cb 1.03 -0.21 -0.01 0.00 1.12 0.00 0.00 29.99 31.92 1c50 n HIS 767 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1c50 n HIS 768 N -2.17 1.12 -2.97 4.41 8.25 0.12 -5.04 115.22 118.93 1c50 n HIS 768 Ca -0.07 -3.45 -0.44 0.00 -0.26 0.00 0.00 57.72 53.51 1c50 n HIS 768 Cb 0.63 -0.39 -0.04 0.00 1.12 0.00 0.00 29.99 31.31 1c50 n HIS 768 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1c50 s ASP 769 N -2.84 6.18 0.53 0.41 -1.08 -0.85 -4.77 116.67 114.25 1c50 s ASP 769 Ca 0.37 -1.17 0.34 0.00 -0.52 0.00 0.00 52.55 51.57 1c50 s ASP 769 Cb 0.38 -2.37 1.44 0.00 -1.46 0.00 0.00 42.92 40.91 1c50 s ASP 769 CO -0.05 -1.29 2.00 0.03 0.52 0.00 0.00 175.17 176.37 1c50 h ARG 770 N 9.39 0.00 -0.22 4.34 3.08 -1.96 -3.19 114.38 125.81 1c50 h ARG 770 Ca -0.29 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.68 1c50 h ARG 770 Cb 1.08 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.08 1c50 h ARG 770 CO 1.14 0.00 -0.09 1.19 -1.07 0.00 0.00 179.97 181.14 1c50 n PHE 771 N -3.00 0.73 -3.43 3.04 3.72 -1.26 -5.02 117.46 112.24 1c50 n PHE 771 Ca 0.00 -1.28 -0.17 0.00 -0.05 0.00 0.00 57.45 55.96 1c50 n PHE 771 Cb 0.27 -0.35 0.00 0.00 -0.94 0.00 0.00 39.48 38.46 1c50 n PHE 771 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 1c50 n LYS 772 N -1.00 -0.72 0.10 -1.08 2.85 -1.21 -4.78 118.16 112.31 1c50 n LYS 772 Ca 0.25 0.14 -0.13 0.00 -1.05 0.00 0.00 58.31 57.52 1c50 n LYS 772 Cb 0.89 -0.95 -0.08 0.00 -0.65 0.00 0.00 35.03 34.24 1c50 n LYS 772 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1c50 h VAL 773 N 0.32 0.92 -0.79 0.58 2.07 -1.93 -2.96 116.25 114.45 1c50 h VAL 773 Ca -0.33 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 67.07 1c50 h VAL 773 Cb 0.70 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.45 1c50 h VAL 773 CO 0.21 0.04 0.52 -0.26 0.02 0.00 0.00 177.57 178.10 1c50 h PHE 774 N -0.26 0.87 -0.31 1.57 0.04 -1.91 -2.41 116.94 114.53 1c50 h PHE 774 Ca -0.02 0.02 0.09 0.00 2.80 0.00 0.00 57.97 60.86 1c50 h PHE 774 Cb 0.21 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 1c50 h PHE 774 CO -0.04 0.46 0.22 0.00 -0.60 0.00 0.00 178.31 178.35 1c50 h ALA 775 N 1.57 2.29 -0.14 2.45 0.00 -1.89 -2.01 119.26 121.53 1c50 h ALA 775 Ca 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1c50 h ALA 775 Cb 0.23 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1c50 h ALA 775 CO -0.12 -0.37 0.00 -0.25 0.00 0.00 0.00 179.25 178.51 1c50 n ASP 776 N -4.45 2.86 0.40 0.00 8.00 -0.92 -4.68 116.55 117.76 1c50 n ASP 776 Ca 0.04 -1.87 -0.18 0.00 0.71 0.00 0.00 54.79 53.49 1c50 n ASP 776 Cb 0.39 -0.08 -0.09 0.00 -0.02 0.00 0.00 41.12 41.32 1c50 n ASP 776 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1c50 h TYR 777 N 3.88 -0.92 -0.25 1.24 3.20 -1.25 -1.55 116.97 121.31 1c50 h TYR 777 Ca 0.00 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.89 1c50 h TYR 777 Cb 0.85 0.30 -0.04 0.00 1.54 0.00 0.00 36.73 39.38 1c50 h TYR 777 CO 0.08 -0.57 -0.02 0.93 -1.64 0.00 0.00 178.16 176.93 1c50 h GLU 778 N -0.99 0.05 0.00 1.82 5.08 -1.84 -1.80 114.58 116.90 1c50 h GLU 778 Ca -0.10 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 1c50 h GLU 778 Cb 0.76 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 1c50 h GLU 778 CO 0.17 0.03 -0.21 0.93 -1.00 0.00 0.00 179.01 178.93 1c50 h GLU 779 N 0.05 0.00 0.09 2.33 5.08 -1.87 -2.53 114.58 117.73 1c50 h GLU 779 Ca 0.12 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1c50 h GLU 779 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1c50 h GLU 779 CO -0.23 0.21 -0.04 -0.92 -1.00 0.00 0.00 179.01 177.03 1c50 h TYR 780 N 0.00 -0.11 -0.06 4.33 3.20 -0.47 -2.18 116.97 121.67 1c50 h TYR 780 Ca -0.00 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.78 1c50 h TYR 780 Cb 0.45 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 1c50 h TYR 780 CO 0.00 0.36 -0.33 -0.39 -1.64 0.00 0.00 178.16 176.16 1c50 h VAL 781 N -0.65 1.26 -0.59 1.81 -1.51 -1.35 -0.93 116.25 114.29 1c50 h VAL 781 Ca -0.01 -1.24 -0.04 0.00 -1.23 0.00 0.00 66.70 64.17 1c50 h VAL 781 Cb 0.52 1.59 -0.03 0.00 -2.13 0.00 0.00 31.29 31.25 1c50 h VAL 781 CO 0.02 0.36 0.20 0.11 -1.23 0.00 0.00 177.57 177.03 1c50 h LYS 782 N 0.10 0.91 -0.13 5.19 6.56 -1.48 -1.86 116.57 125.86 1c50 h LYS 782 Ca 0.01 -0.19 -0.13 0.00 -1.06 0.00 0.00 60.65 59.29 1c50 h LYS 782 Cb 0.64 -0.14 -0.01 0.00 -0.57 0.00 0.00 32.23 32.16 1c50 h LYS 782 CO 0.05 0.81 -0.48 0.00 -2.06 0.00 0.00 179.45 177.77 1c50 h GLN 784 N 0.26 0.25 -0.25 0.00 1.08 -0.85 -1.92 115.11 113.68 1c50 h GLN 784 Ca 0.01 -0.09 -0.06 0.00 -1.45 0.00 0.00 58.65 57.07 1c50 h GLN 784 Cb 0.94 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.34 1c50 h GLN 784 CO 0.08 0.52 -0.09 0.93 -0.95 0.00 0.00 178.83 179.31 1c50 h GLU 785 N 0.22 0.41 -0.22 1.46 5.08 -1.10 -2.39 114.58 118.04 1c50 h GLU 785 Ca 0.03 -0.10 -0.14 0.00 -1.00 0.00 0.00 59.36 58.16 1c50 h GLU 785 Cb 0.63 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1c50 h GLU 785 CO 0.05 0.51 -0.43 0.00 -1.00 0.00 0.00 179.01 178.14 1c50 h ARG 786 N 0.39 0.53 -0.06 2.33 3.08 -1.28 -1.89 114.38 117.47 1c50 h ARG 786 Ca 0.08 -0.28 -0.18 0.00 0.07 0.00 0.00 59.98 59.67 1c50 h ARG 786 Cb 0.41 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1c50 h ARG 786 CO 0.02 0.86 -0.74 -0.39 -1.07 0.00 0.00 179.97 178.66 1c50 h VAL 787 N 0.43 1.40 -0.70 2.04 -1.51 -1.27 -2.18 116.25 114.46 1c50 h VAL 787 Ca 0.03 -2.20 -0.07 0.00 -1.23 0.00 0.00 66.70 63.24 1c50 h VAL 787 Cb 0.93 2.16 -0.03 0.00 -2.13 0.00 0.00 31.29 32.22 1c50 h VAL 787 CO 0.08 0.66 0.18 0.28 -1.23 0.00 0.00 177.57 177.54 1c50 h SER 788 N 0.22 1.06 -0.66 4.19 0.02 -1.31 -0.00 113.55 117.07 1c50 h SER 788 Ca -0.03 -0.22 -0.07 0.00 -0.84 0.00 0.00 61.79 60.63 1c50 h SER 788 Cb 1.31 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 63.54 1c50 h SER 788 CO 0.12 1.01 0.14 0.00 -1.14 0.00 0.00 176.83 176.96 1c50 h ALA 789 N 1.12 0.87 -0.02 3.77 0.00 -1.16 -2.85 119.26 121.00 1c50 h ALA 789 Ca 0.22 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1c50 h ALA 789 Cb 0.36 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1c50 h ALA 789 CO 0.00 0.60 -0.60 1.25 0.00 0.00 0.00 179.25 180.50 1c50 h LEU 790 N 0.99 0.07 -1.28 0.00 6.46 -1.05 -2.98 115.31 117.52 1c50 h LEU 790 Ca 0.20 -0.04 -0.07 0.00 -0.12 0.00 0.00 57.88 57.85 1c50 h LEU 790 Cb 0.39 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.28 1c50 h LEU 790 CO 0.01 0.66 -0.26 0.22 -0.62 0.00 0.00 178.44 178.44 1c50 h TYR 791 N 0.05 0.17 0.00 1.25 3.20 -0.82 -1.96 116.97 118.85 1c50 h TYR 791 Ca -0.01 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1c50 h TYR 791 Cb 1.07 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.30 1c50 h TYR 791 CO 0.01 0.41 0.00 0.87 -1.64 0.00 0.00 178.16 177.80 1c50 h LYS 792 N 0.14 0.00 -3.21 1.82 1.57 -1.34 -3.25 116.57 112.31 1c50 h LYS 792 Ca 0.02 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.14 1c50 h LYS 792 Cb 0.54 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 32.46 1c50 h LYS 792 CO 0.04 0.00 -0.32 1.21 -0.57 0.00 0.00 179.45 179.81 1c50 s ASN 793 N -4.63 5.44 0.30 0.86 3.84 -0.74 -4.98 114.94 115.03 1c50 s ASN 793 Ca -0.02 -3.78 0.00 0.00 0.21 0.00 0.00 52.86 49.27 1c50 s ASN 793 Cb 0.09 -1.78 0.70 0.00 -0.55 0.00 0.00 41.25 39.71 1c50 s ASN 793 CO 0.34 -0.14 1.59 -0.65 -2.79 0.00 0.00 177.10 175.45 1c50 h PRO 794 N 5.72 0.05 -0.45 0.43 0.11 -1.75 -0.97 132.00 135.14 1c50 h PRO 794 Ca 0.15 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.23 1c50 h PRO 794 Cb 0.78 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.86 1c50 h PRO 794 CO 0.79 0.03 0.18 -0.09 -0.21 0.00 0.00 178.00 178.70 1c50 h ARG 795 N 0.05 0.67 0.00 1.05 2.43 -1.93 -1.91 114.38 114.74 1c50 h ARG 795 Ca 0.57 -0.12 -0.14 0.00 -0.81 0.00 0.00 59.98 59.48 1c50 h ARG 795 Cb 1.14 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.57 1c50 h ARG 795 CO -0.85 0.62 -0.65 0.93 -1.51 0.00 0.00 179.97 178.51 1c50 h GLU 796 N 0.58 0.00 -0.12 0.20 4.39 -1.67 -2.51 114.58 115.45 1c50 h GLU 796 Ca 0.15 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.82 1c50 h GLU 796 Cb 0.20 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1c50 h GLU 796 CO -0.01 0.65 -0.04 2.35 -1.16 0.00 0.00 179.01 180.79 1c50 h TRP 797 N 0.00 0.28 -0.46 4.33 2.91 -1.10 -2.84 115.95 119.07 1c50 h TRP 797 Ca -0.01 -0.06 -0.04 0.00 1.13 0.00 0.00 58.89 59.91 1c50 h TRP 797 Cb 1.28 -0.07 -0.02 0.00 -0.51 0.00 0.00 29.16 29.84 1c50 h TRP 797 CO 0.00 0.56 0.13 1.15 -1.03 0.00 0.00 178.44 179.25 1c50 h THR 798 N -0.09 1.19 -0.22 2.65 2.02 -1.35 -1.87 112.91 115.24 1c50 h THR 798 Ca 0.03 -0.65 -0.12 0.00 0.77 0.00 0.00 66.41 66.44 1c50 h THR 798 Cb 0.48 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 1c50 h THR 798 CO 0.01 0.24 -0.37 0.03 0.37 0.00 0.00 175.52 175.81 1c50 h ARG 799 N 0.66 0.49 -0.25 6.66 3.08 -1.42 -1.34 114.38 122.25 1c50 h ARG 799 Ca 0.15 -0.23 -0.15 0.00 0.07 0.00 0.00 59.98 59.82 1c50 h ARG 799 Cb 0.21 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1c50 h ARG 799 CO -0.01 0.79 -0.46 1.98 -1.07 0.00 0.00 179.97 181.20 1c50 h MET 800 N 0.41 0.65 -0.24 0.04 4.05 -1.21 -2.41 114.93 116.21 1c50 h MET 800 Ca 0.04 -0.36 0.02 0.00 -0.28 0.00 0.00 59.70 59.12 1c50 h MET 800 Cb 0.84 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.63 1c50 h MET 800 CO 0.07 0.97 0.09 0.28 0.23 0.00 0.00 176.91 178.56 1c50 h VAL 801 N 0.52 0.96 -0.47 -5.77 2.07 -1.04 -1.35 116.25 111.16 1c50 h VAL 801 Ca 0.03 -0.07 0.07 0.00 0.82 0.00 0.00 66.70 67.55 1c50 h VAL 801 Cb 1.00 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 1c50 h VAL 801 CO 0.09 0.04 0.32 0.40 0.02 0.00 0.00 177.57 178.44 1c50 h ILE 802 N 0.21 0.93 -0.13 4.57 2.04 -1.00 -0.43 117.51 123.70 1c50 h ILE 802 Ca 0.10 -0.11 -0.13 0.00 1.00 0.00 0.00 64.86 65.72 1c50 h ILE 802 Cb 0.06 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1c50 h ILE 802 CO -0.10 0.06 -0.47 -0.09 0.00 0.00 0.00 178.15 177.56 1c50 h ARG 803 N 0.33 0.34 -0.00 2.37 9.65 -0.78 -1.35 114.38 124.94 1c50 h ARG 803 Ca 0.21 -0.18 -0.01 0.00 -1.10 0.00 0.00 59.98 58.89 1c50 h ARG 803 Cb 0.40 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.99 1c50 h ARG 803 CO -0.05 0.74 -0.05 -0.91 2.80 0.00 0.00 179.97 182.50 1c50 h ASN 804 N 0.27 0.05 -0.24 -3.80 2.35 -0.35 -3.05 115.58 110.81 1c50 h ASN 804 Ca 0.02 -0.76 0.01 0.00 -0.55 0.00 0.00 56.30 55.01 1c50 h ASN 804 Cb 0.93 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 39.27 1c50 h ASN 804 CO 0.08 0.81 0.14 0.40 -1.65 0.00 0.00 177.43 177.20 1c50 h ILE 805 N -0.71 1.03 0.00 2.81 2.04 -1.21 -1.46 117.51 120.01 1c50 h ILE 805 Ca -0.01 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1c50 h ILE 805 Cb 0.81 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1c50 h ILE 805 CO 0.01 0.05 0.00 0.00 0.00 0.00 0.00 178.15 178.21 1c50 n ALA 806 N -2.19 1.35 -0.07 1.87 0.00 -0.51 -2.55 120.51 118.41 1c50 n ALA 806 Ca -0.02 0.11 0.03 0.00 0.00 0.00 0.00 53.44 53.55 1c50 n ALA 806 Cb 0.04 -1.30 0.07 0.00 0.00 0.00 0.00 19.45 18.26 1c50 n ALA 806 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1c50 n THR 807 N -2.09 0.95 1.15 0.00 5.66 -0.63 -2.31 114.28 117.01 1c50 n THR 807 Ca 0.01 -0.97 0.13 0.00 -3.05 0.00 0.00 64.05 60.16 1c50 n THR 807 Cb 0.12 0.53 0.39 0.00 -1.55 0.00 0.00 70.33 69.83 1c50 n THR 807 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1c50 n SER 808 N 0.00 0.60 -0.45 1.09 3.41 -0.74 -4.43 113.62 113.11 1c50 n SER 808 Ca 0.05 -0.42 0.37 0.00 -0.26 0.00 0.00 58.87 58.61 1c50 n SER 808 Cb 0.32 0.08 0.66 0.00 -0.26 0.00 0.00 64.21 65.01 1c50 n SER 808 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1c50 h GLY 809 N 4.97 1.05 2.00 5.00 0.00 -1.78 -0.44 103.07 113.87 1c50 h GLY 809 Ca 0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 1c50 h GLY 809 CO 0.00 -0.30 -0.01 1.70 0.00 0.00 0.00 176.54 177.93 1c50 h LYS 810 N 0.10 0.00 -0.90 4.80 3.64 -1.87 -3.22 116.57 119.12 1c50 h LYS 810 Ca 0.79 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.92 1c50 h LYS 810 Cb 2.57 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 34.24 1c50 h LYS 810 CO -0.33 0.01 0.31 1.19 -2.27 0.00 0.00 179.45 178.37 1c50 n PHE 811 N -3.13 1.95 -3.22 1.91 3.72 -0.18 -4.82 117.46 113.69 1c50 n PHE 811 Ca -0.01 -1.14 -0.39 0.00 -0.05 0.00 0.00 57.45 55.86 1c50 n PHE 811 Cb 0.23 -0.63 -0.06 0.00 -0.94 0.00 0.00 39.48 38.08 1c50 n PHE 811 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1c50 s SER 812 N -0.61 6.97 0.22 4.37 0.15 -1.21 -1.02 113.70 122.57 1c50 s SER 812 Ca 0.40 1.16 0.16 0.00 0.70 0.00 0.00 55.95 58.37 1c50 s SER 812 Cb 0.33 -2.36 0.83 0.00 -1.71 0.00 0.00 66.02 63.11 1c50 s SER 812 CO 0.09 0.12 1.50 -1.54 1.20 0.00 0.00 173.24 174.61 1c50 n SER 813 N 2.62 0.41 -0.05 5.45 3.41 0.11 -1.10 113.62 124.46 1c50 n SER 813 Ca -0.07 0.67 -0.08 0.00 -0.26 0.00 0.00 58.87 59.12 1c50 n SER 813 Cb 0.51 -0.73 0.08 0.00 -0.26 0.00 0.00 64.21 63.81 1c50 n SER 813 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1c50 h ASP 814 N 0.00 0.72 -0.05 4.04 3.32 -1.92 -0.07 116.42 122.45 1c50 h ASP 814 Ca 0.00 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 56.73 1c50 h ASP 814 Cb 0.07 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 1c50 h ASP 814 CO 0.00 1.00 -0.02 -0.09 -1.72 0.00 0.00 179.24 178.42 1c50 h ARG 815 N 0.57 0.10 -0.33 3.56 1.12 -1.44 -0.86 114.38 117.11 1c50 h ARG 815 Ca 0.06 -0.04 0.06 0.00 -1.11 0.00 0.00 59.98 58.94 1c50 h ARG 815 Cb 0.87 -0.00 -0.05 0.00 -0.01 0.00 0.00 29.97 30.77 1c50 h ARG 815 CO 0.08 0.46 0.01 1.15 -3.11 0.00 0.00 179.97 178.56 1c50 h THR 816 N -0.26 0.77 -0.57 0.20 2.02 -1.46 -1.91 112.91 111.71 1c50 h THR 816 Ca 0.01 -0.04 -0.07 0.00 0.77 0.00 0.00 66.41 67.09 1c50 h THR 816 Cb 0.42 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 1c50 h THR 816 CO 0.01 0.02 0.09 0.40 0.37 0.00 0.00 175.52 176.41 1c50 h ILE 817 N 0.11 1.24 -0.21 3.11 1.08 -0.98 -1.13 117.51 120.73 1c50 h ILE 817 Ca 0.16 -0.94 -0.04 0.00 -0.39 0.00 0.00 64.86 63.65 1c50 h ILE 817 Cb 0.21 0.70 -0.01 0.00 -3.07 0.00 0.00 36.82 34.65 1c50 h ILE 817 CO -0.25 0.35 -0.03 0.00 -0.69 0.00 0.00 178.15 177.52 1c50 h ALA 818 N 1.23 1.56 -0.04 1.87 0.00 -0.67 -0.47 119.26 122.74 1c50 h ALA 818 Ca 0.18 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 1c50 h ALA 818 Cb 0.38 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.08 1c50 h ALA 818 CO 0.01 0.32 -0.46 1.96 0.00 0.00 0.00 179.25 181.08 1c50 h GLN 819 N 0.30 0.39 -0.23 0.00 4.20 -0.75 -1.34 115.11 117.68 1c50 h GLN 819 Ca 0.07 -0.36 0.03 0.00 0.06 0.00 0.00 58.65 58.45 1c50 h GLN 819 Cb 0.26 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.10 1c50 h GLN 819 CO 0.01 1.02 0.04 1.88 -0.67 0.00 0.00 178.83 181.11 1c50 h TYR 820 N -0.11 0.08 0.57 2.96 0.05 -1.01 0.27 116.97 119.78 1c50 h TYR 820 Ca -0.05 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.73 1c50 h TYR 820 Cb 1.15 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.88 1c50 h TYR 820 CO 0.14 0.02 -0.38 0.00 -1.05 0.00 0.00 178.16 176.89 1c50 h ALA 821 N 1.16 -0.93 -0.41 3.88 0.00 -1.13 0.35 119.26 122.18 1c50 h ALA 821 Ca 0.10 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1c50 h ALA 821 Cb 0.10 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1c50 h ALA 821 CO -0.13 -1.04 -0.05 0.00 0.00 0.00 0.00 179.25 178.02 1c50 h ARG 822 N -0.91 0.77 -0.00 0.00 3.08 -1.14 0.72 114.38 116.90 1c50 h ARG 822 Ca -0.07 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.71 1c50 h ARG 822 Cb 0.75 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1c50 h ARG 822 CO 0.05 0.87 -0.87 0.39 -1.07 0.00 0.00 179.97 179.35 1c50 n GLU 823 N -4.37 0.04 0.00 0.04 1.02 0.95 -4.34 120.64 113.99 1c50 n GLU 823 Ca -0.01 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1c50 n GLU 823 Cb 0.33 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 1c50 n GLU 823 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1c50 n ILE 824 N -1.45 0.00 0.05 -3.67 5.41 0.98 -4.88 119.36 115.80 1c50 n ILE 824 Ca 0.05 0.00 -0.05 0.00 1.00 0.00 0.00 62.75 63.74 1c50 n ILE 824 Cb 0.34 -1.07 -0.10 0.00 -0.71 0.00 0.00 39.64 38.09 1c50 n ILE 824 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 1c50 h TRP 825 N 0.00 0.00 -1.39 1.39 6.55 -0.67 -3.49 115.95 118.34 1c50 h TRP 825 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1c50 h TRP 825 Cb 0.68 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.98 1c50 h TRP 825 CO 0.00 0.88 0.00 0.41 -1.05 0.00 0.00 178.44 178.68 1c50 n GLY 826 N 1.39 0.74 3.04 1.49 0.00 0.24 -4.97 105.19 107.12 1c50 n GLY 826 Ca -0.05 -0.58 -0.09 0.00 0.00 0.00 0.00 46.02 45.30 1c50 n GLY 826 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1c50 s VAL 827 N -2.96 0.24 -0.24 1.61 -7.23 -0.71 -5.00 120.40 106.10 1c50 s VAL 827 Ca 0.00 -1.32 -0.09 0.00 -1.81 0.00 0.00 61.98 58.76 1c50 s VAL 827 Cb 0.00 -0.85 -0.04 0.00 0.56 0.00 0.00 36.38 36.05 1c50 s VAL 827 CO 0.00 -0.69 0.12 -1.61 -0.31 0.00 0.00 175.10 172.61 1c50 s GLU 828 N -2.51 3.89 0.81 4.82 0.41 -1.26 -3.56 118.70 121.30 1c50 s GLU 828 Ca -0.05 -0.36 -0.11 0.00 -0.41 0.00 0.00 54.97 54.04 1c50 s GLU 828 Cb -0.03 -3.44 0.08 0.00 -1.78 0.00 0.00 34.13 28.97 1c50 s GLU 828 CO -0.04 -0.04 1.12 -1.25 -0.49 0.00 0.00 175.26 174.56 1c50 s PRO 829 N 1.28 1.85 -0.15 0.39 0.04 -1.26 -4.94 135.00 132.21 1c50 s PRO 829 Ca 0.06 1.36 -0.09 0.00 0.04 0.00 0.00 61.00 62.37 1c50 s PRO 829 Cb -0.14 -1.84 0.05 0.00 0.04 0.00 0.00 34.50 32.61 1c50 s PRO 829 CO 0.05 -1.98 0.36 0.45 0.04 0.00 0.00 177.00 175.92 1c50 s SER 830 N -3.00 -0.42 -0.43 6.66 0.15 -0.32 -5.02 113.70 111.33 1c50 s SER 830 Ca 0.64 0.76 0.04 0.00 0.70 0.00 0.00 55.95 58.10 1c50 s SER 830 Cb -0.20 0.67 0.65 0.00 -1.71 0.00 0.00 66.02 65.43 1c50 s SER 830 CO 0.55 -0.17 1.88 0.54 1.20 0.00 0.00 173.24 177.24 1c50 n ARG 831 N 3.98 2.29 -2.85 5.44 5.12 -1.26 -3.15 116.66 126.22 1c50 n ARG 831 Ca -0.22 -2.90 -0.41 0.00 -1.93 0.00 0.00 57.85 52.39 1c50 n ARG 831 Cb 0.55 -2.14 -0.04 0.00 -1.16 0.00 0.00 32.46 29.68 1c50 n ARG 831 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1c50 s GLN 832 N -3.16 4.37 0.22 5.56 -0.21 -1.26 -5.02 119.66 120.16 1c50 s GLN 832 Ca 0.55 1.12 -0.31 0.00 0.02 0.00 0.00 55.36 56.74 1c50 s GLN 832 Cb 0.46 -3.54 -0.11 0.00 1.00 0.00 0.00 33.01 30.82 1c50 s GLN 832 CO 0.11 -0.25 1.57 1.03 -2.12 0.00 0.00 175.29 175.62 1c50 s ARG 833 N 1.84 4.20 0.42 2.91 3.00 -1.26 -4.96 118.95 125.10 1c50 s ARG 833 Ca 0.42 2.43 -0.23 0.00 0.00 0.00 0.00 55.73 58.34 1c50 s ARG 833 Cb -0.17 -3.11 -0.09 0.00 0.00 0.00 0.00 34.95 31.58 1c50 s ARG 833 CO 0.16 -0.59 1.06 -1.17 0.00 0.00 0.00 175.30 174.75 1c50 s LEU 834 N 0.48 4.08 -0.25 2.53 2.96 0.19 -4.83 118.68 123.84 1c50 s LEU 834 Ca 0.67 2.04 -0.12 0.00 -0.22 0.00 0.00 54.13 56.50 1c50 s LEU 834 Cb -0.45 -4.25 -0.13 0.00 0.50 0.00 0.00 46.19 41.86 1c50 s LEU 834 CO 0.37 -0.57 1.23 -0.81 -1.32 0.00 0.00 176.35 175.26 1c50 n PRO 835 N -0.24 0.02 -0.48 0.98 -0.04 -1.26 -4.70 135.00 129.27 1c50 n PRO 835 Ca 0.06 -0.58 0.02 0.00 -0.04 0.00 0.00 63.50 62.96 1c50 n PRO 835 Cb 0.50 -1.96 -0.01 0.00 -0.04 0.00 0.00 33.50 31.99 1c50 n PRO 835 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1c50 n ALA 836 N 8.65 -2.22 0.11 0.55 0.00 -1.26 -4.63 120.51 121.72 1c50 n ALA 836 Ca 0.18 0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.81 1c50 n ALA 836 Cb 0.41 -0.61 -0.07 0.00 0.00 0.00 0.00 19.45 19.18 1c50 n ALA 836 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1c50 n PRO 837 N -1.88 0.59 0.00 0.00 -0.04 -1.26 -4.93 135.00 127.48 1c50 n PRO 837 Ca -0.00 -0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1c50 n PRO 837 Cb 0.52 -1.67 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 1c50 n PRO 837 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1c50 n ASP 838 N -2.42 0.00 0.00 3.54 2.03 -1.26 -4.52 116.55 113.92 1c50 n ASP 838 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1c50 n ASP 838 Cb 0.55 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.95 1c50 n ASP 838 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1c50 n GLU 839 N 0.00 0.00 -1.81 -0.67 0.00 -1.26 -4.95 120.64 111.95 1c50 n GLU 839 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1c50 n GLU 839 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1c50 n GLU 839 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 1c50 n LYS 840 N 0.00 -4.04 -3.20 5.31 -0.00 -1.26 -4.98 118.16 109.99 1c50 n LYS 840 Ca 0.00 2.93 -0.11 0.00 -0.00 0.00 0.00 58.31 61.13 1c50 n LYS 840 Cb 0.00 -3.36 -0.04 0.00 -0.00 0.00 0.00 35.03 31.63 1c50 n LYS 840 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 1c50 s ILE 841 N -1.94 -0.57 -2.04 0.58 -1.16 -1.26 -5.13 121.20 109.68 1c50 s ILE 841 Ca 0.00 -0.92 0.32 0.00 -0.51 0.00 0.00 60.65 59.53 1c50 s ILE 841 Cb 0.00 -0.41 0.88 0.00 0.61 0.00 0.00 42.46 43.54 1c50 s ILE 841 CO 0.00 -0.38 2.19 -0.81 -2.81 0.00 0.00 174.94 173.13