#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f3s s ILE 13 N 0.00 4.12 0.12 1.69 -4.36 -1.26 -5.06 121.20 116.46 2f3s s ILE 13 Ca 0.00 -0.67 -0.32 0.00 -0.26 0.00 0.00 60.65 59.40 2f3s s ILE 13 Cb 0.00 -2.86 -0.10 0.00 1.25 0.00 0.00 42.46 40.75 2f3s s ILE 13 CO 0.00 0.33 1.56 -1.28 0.24 0.00 0.00 174.94 175.79 2f3s h SER 14 N 4.19 -1.63 0.00 4.36 0.87 -1.96 -2.42 113.55 116.95 2f3s h SER 14 Ca -0.49 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 2f3s h SER 14 Cb 1.17 0.65 0.00 0.00 -0.44 0.00 0.00 62.40 63.78 2f3s h SER 14 CO 0.58 -0.46 0.16 1.33 -0.53 0.00 0.00 176.83 177.91 2f3s n VAL 15 N -5.43 1.01 0.79 2.23 0.24 -1.26 -1.83 118.33 114.08 2f3s n VAL 15 Ca -0.05 0.66 0.04 0.00 -2.04 0.00 0.00 64.34 62.96 2f3s n VAL 15 Cb 0.37 -1.66 0.14 0.00 -1.47 0.00 0.00 33.84 31.22 2f3s n VAL 15 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2f3s n ARG 16 N -1.89 1.97 0.00 7.34 1.74 -0.91 -5.03 116.66 119.88 2f3s n ARG 16 Ca -0.01 -1.15 0.00 0.00 -0.77 0.00 0.00 57.85 55.92 2f3s n ARG 16 Cb 0.18 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 2f3s n ARG 16 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2f3s n GLY 17 N 0.76 -1.09 3.88 -0.13 0.00 -0.76 -1.24 105.19 106.62 2f3s n GLY 17 Ca 0.10 -1.61 -0.30 0.00 0.00 0.00 0.00 46.02 44.21 2f3s n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2f3s s LEU 18 N -1.91 4.01 -0.66 0.99 2.01 -1.26 -4.64 118.68 117.22 2f3s s LEU 18 Ca 0.00 0.94 0.05 0.00 0.01 0.00 0.00 54.13 55.14 2f3s s LEU 18 Cb 0.00 -3.77 0.27 0.00 0.01 0.00 0.00 46.19 42.70 2f3s s LEU 18 CO 0.00 -0.23 0.83 0.00 1.01 0.00 0.00 176.35 177.96 2f3s n ALA 19 N -0.81 4.26 -1.36 4.21 0.00 -1.26 -3.77 120.51 121.77 2f3s n ALA 19 Ca 0.01 -4.77 -0.34 0.00 0.00 0.00 0.00 53.44 48.33 2f3s n ALA 19 Cb 0.53 -0.97 0.10 0.00 0.00 0.00 0.00 19.45 19.11 2f3s n ALA 19 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2f3s s GLY 20 N -2.59 2.38 0.09 0.00 0.00 -1.26 -4.85 107.32 101.08 2f3s s GLY 20 Ca 0.41 0.91 -0.22 0.00 0.00 0.00 0.00 44.72 45.83 2f3s s GLY 20 CO -0.02 1.33 1.68 -2.08 0.00 0.00 0.00 173.10 174.00 2f3s h VAL 21 N -0.30 1.09 -0.08 1.40 2.07 -1.99 -1.59 116.25 116.84 2f3s h VAL 21 Ca -0.48 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 2f3s h VAL 21 Cb 1.30 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 32.15 2f3s h VAL 21 CO 0.49 0.08 0.04 -0.33 0.02 0.00 0.00 177.57 177.87 2f3s h GLU 22 N 0.05 0.11 -0.40 1.57 3.07 -2.00 -2.53 114.58 114.45 2f3s h GLU 22 Ca 0.03 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.88 2f3s h GLU 22 Cb 0.08 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 27.95 2f3s h GLU 22 CO -0.00 0.14 0.24 -0.91 -1.40 0.00 0.00 179.01 177.08 2f3s h ASN 23 N 0.04 0.49 -0.85 1.42 4.21 -1.93 -0.45 115.58 118.51 2f3s h ASN 23 Ca 0.03 -0.06 -0.02 0.00 1.21 0.00 0.00 56.30 57.45 2f3s h ASN 23 Cb 0.07 -0.12 -0.04 0.00 -1.12 0.00 0.00 38.32 37.10 2f3s h ASN 23 CO -0.00 0.41 0.44 0.58 -1.29 0.00 0.00 177.43 177.56 2f3s h VAL 24 N 0.53 1.25 -0.53 2.81 2.07 -1.29 0.83 116.25 121.92 2f3s h VAL 24 Ca 0.14 -0.67 -0.08 0.00 0.82 0.00 0.00 66.70 66.92 2f3s h VAL 24 Cb 0.01 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 29.90 2f3s h VAL 24 CO -0.03 0.29 0.03 0.74 0.02 0.00 0.00 177.57 178.63 2f3s h THR 25 N 1.19 1.26 -0.33 2.57 2.02 -1.20 -1.81 112.91 116.61 2f3s h THR 25 Ca 0.29 -1.05 -0.04 0.00 0.77 0.00 0.00 66.41 66.38 2f3s h THR 25 Cb 0.07 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 2f3s h THR 25 CO -0.04 0.38 0.06 -0.08 0.37 0.00 0.00 175.52 176.21 2f3s h GLU 26 N 0.80 0.53 -0.53 6.66 4.57 -0.64 -2.47 114.58 123.51 2f3s h GLU 26 Ca 0.16 -0.14 0.01 0.00 -1.18 0.00 0.00 59.36 58.21 2f3s h GLU 26 Cb 0.49 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.98 2f3s h GLU 26 CO 0.02 0.61 0.34 -0.07 -1.18 0.00 0.00 179.01 178.73 2f3s h LEU 27 N 0.37 0.57 -0.53 1.64 3.38 -0.75 -1.70 115.31 118.30 2f3s h LEU 27 Ca 0.10 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2f3s h LEU 27 Cb 0.33 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2f3s h LEU 27 CO 0.00 0.41 0.34 0.11 0.09 0.00 0.00 178.44 179.40 2f3s h LYS 28 N 0.68 0.70 -0.34 1.13 1.57 -1.22 0.36 116.57 119.45 2f3s h LYS 28 Ca 0.20 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.81 2f3s h LYS 28 Cb -0.05 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 2f3s h LYS 28 CO -0.06 0.47 -0.30 1.57 -0.57 0.00 0.00 179.45 180.55 2f3s h LYS 29 N 0.71 0.72 -0.00 3.15 2.10 -1.24 -1.85 116.57 120.16 2f3s h LYS 29 Ca 0.19 -0.32 -0.12 0.00 -2.00 0.00 0.00 60.65 58.40 2f3s h LYS 29 Cb -0.07 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.22 2f3s h LYS 29 CO -0.04 0.93 -0.56 -0.91 -2.00 0.00 0.00 179.45 176.87 2f3s h ASN 30 N 0.61 0.01 -0.31 7.07 2.35 -1.06 -0.71 115.58 123.54 2f3s h ASN 30 Ca 0.07 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 2f3s h ASN 30 Cb 0.82 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.17 2f3s h ASN 30 CO 0.07 0.58 0.03 0.15 -1.65 0.00 0.00 177.43 176.61 2f3s h PHE 31 N 0.01 0.56 -0.11 1.19 3.57 -0.66 -1.27 116.94 120.23 2f3s h PHE 31 Ca -0.01 -0.08 -0.10 0.00 3.53 0.00 0.00 57.97 61.31 2f3s h PHE 31 Cb 1.00 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 2f3s h PHE 31 CO 0.00 0.62 -0.37 -0.91 -2.23 0.00 0.00 178.31 175.42 2f3s h ASN 32 N 0.34 0.24 -0.06 0.41 2.35 -1.13 -1.73 115.58 116.00 2f3s h ASN 32 Ca 0.09 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 2f3s h ASN 32 Cb 0.38 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.68 2f3s h ASN 32 CO 0.01 0.59 0.01 -0.09 -1.65 0.00 0.00 177.43 176.30 2f3s h ARG 33 N 0.20 0.09 -0.61 0.81 2.43 -0.85 -2.25 114.38 114.19 2f3s h ARG 33 Ca 0.02 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.10 2f3s h ARG 33 Cb 0.75 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.26 2f3s h ARG 33 CO 0.06 0.31 0.12 0.45 -1.51 0.00 0.00 179.97 179.40 2f3s h HIS 34 N -0.14 1.02 -0.85 2.20 3.86 -1.10 0.17 115.15 120.30 2f3s h HIS 34 Ca 0.02 -0.12 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 2f3s h HIS 34 Cb 0.26 -0.29 -0.04 0.00 1.06 0.00 0.00 27.41 28.40 2f3s h HIS 34 CO 0.01 0.85 0.54 1.25 0.86 0.00 0.00 177.93 181.45 2f3s h LEU 35 N 0.92 1.00 0.04 2.43 5.85 -1.25 0.11 115.31 124.41 2f3s h LEU 35 Ca 0.19 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 2f3s h LEU 35 Cb 0.37 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.15 2f3s h LEU 35 CO 0.00 0.74 -0.02 -0.74 -0.34 0.00 0.00 178.44 178.09 2f3s h HIS 36 N 1.16 -0.05 -0.01 1.25 2.76 -0.92 -1.74 115.15 117.61 2f3s h HIS 36 Ca 0.31 -0.00 -0.24 0.00 -2.20 0.00 0.00 60.37 58.24 2f3s h HIS 36 Cb -0.10 0.02 0.01 0.00 1.55 0.00 0.00 27.41 28.89 2f3s h HIS 36 CO 0.00 -0.03 -0.97 0.74 -1.30 0.00 0.00 177.93 176.37 2f3s h PHE 37 N -0.53 0.82 0.08 5.26 0.04 -0.76 -1.90 116.94 119.94 2f3s h PHE 37 Ca -0.01 -0.44 -0.23 0.00 2.80 0.00 0.00 57.97 60.10 2f3s h PHE 37 Cb 0.04 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.09 2f3s h PHE 37 CO 0.01 1.26 -1.19 1.15 -0.60 0.00 0.00 178.31 178.95 2f3s h THR 38 N 0.32 1.13 0.00 -1.55 2.02 -1.05 -3.37 112.91 110.40 2f3s h THR 38 Ca -0.10 -2.36 0.00 0.00 0.77 0.00 0.00 66.41 64.72 2f3s h THR 38 Cb 1.61 2.74 0.00 0.00 -1.74 0.00 0.00 68.15 70.76 2f3s h THR 38 CO 0.18 0.63 -0.75 0.18 0.37 0.00 0.00 175.52 176.12 2f3s n LEU 39 N -4.10 0.63 -3.49 2.58 4.77 0.17 -4.99 117.00 112.57 2f3s n LEU 39 Ca -0.24 -0.07 -0.24 0.00 -0.03 0.00 0.00 56.01 55.44 2f3s n LEU 39 Cb 0.81 -0.16 0.05 0.00 -2.33 0.00 0.00 43.42 41.79 2f3s n LEU 39 CO 0.37 0.11 -0.01 0.52 -1.33 0.00 0.00 177.39 177.04 2f3s n VAL 40 N -1.69 -7.27 -4.04 4.08 0.31 -0.71 -4.98 118.33 104.02 2f3s n VAL 40 Ca 0.04 -1.03 -0.10 0.00 -0.01 0.00 0.00 64.34 63.24 2f3s n VAL 40 Cb 0.37 -5.26 -0.06 0.00 -0.91 0.00 0.00 33.84 27.98 2f3s n VAL 40 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2f3s s LYS 41 N -5.19 1.46 0.13 5.55 1.02 -0.67 -5.02 119.74 117.01 2f3s s LYS 41 Ca 0.43 -1.34 0.04 0.00 0.02 0.00 0.00 55.97 55.12 2f3s s LYS 41 Cb -0.12 0.42 -0.04 0.00 -0.52 0.00 0.00 37.83 37.57 2f3s s LYS 41 CO 0.81 -0.58 -0.10 0.16 -0.92 0.00 0.00 175.35 174.72 2f3s s ASP 42 N -3.05 1.68 0.32 2.83 -4.77 -1.26 -3.89 116.67 108.54 2f3s s ASP 42 Ca 0.26 -0.95 0.11 0.00 -3.30 0.00 0.00 52.55 48.68 2f3s s ASP 42 Cb 0.01 -0.00 0.61 0.00 -1.09 0.00 0.00 42.92 42.45 2f3s s ASP 42 CO 0.09 -0.31 1.22 0.54 0.70 0.00 0.00 175.17 177.42 2f3s n ARG 43 N 0.06 0.08 0.14 2.11 5.12 -1.26 -1.34 116.66 121.57 2f3s n ARG 43 Ca -0.12 0.55 0.07 0.00 -1.93 0.00 0.00 57.85 56.43 2f3s n ARG 43 Cb 0.60 -2.12 0.05 0.00 -1.16 0.00 0.00 32.46 29.82 2f3s n ARG 43 CO 0.00 0.00 0.00 -0.91 -1.93 0.00 0.00 177.63 174.79 2f3s h ASN 44 N 0.00 0.00 0.00 0.55 2.35 -2.05 -3.36 115.58 113.07 2f3s h ASN 44 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2f3s h ASN 44 Cb 0.72 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.09 2f3s h ASN 44 CO 0.00 0.23 0.00 1.33 -1.65 0.00 0.00 177.43 177.34 2f3s n VAL 45 N -3.00 0.00 -2.02 2.81 0.24 -0.45 -5.05 118.33 110.86 2f3s n VAL 45 Ca 0.00 -0.45 -0.41 0.00 -2.04 0.00 0.00 64.34 61.44 2f3s n VAL 45 Cb 0.64 1.04 -0.02 0.00 -1.47 0.00 0.00 33.84 34.03 2f3s n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2f3s s ALA 46 N -0.50 3.57 0.39 2.33 0.00 -0.79 -4.96 121.76 121.81 2f3s s ALA 46 Ca 0.00 1.34 0.08 0.00 0.00 0.00 0.00 51.96 53.38 2f3s s ALA 46 Cb 0.00 -3.53 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 2f3s s ALA 46 CO 0.00 -0.75 0.35 0.95 0.00 0.00 0.00 175.76 176.31 2f3s s THR 47 N -0.62 2.87 0.34 0.00 -4.23 -1.26 -4.97 115.64 107.77 2f3s s THR 47 Ca 0.54 -1.37 0.09 0.00 -1.18 0.00 0.00 61.69 59.78 2f3s s THR 47 Cb -0.42 -3.04 0.33 0.00 1.34 0.00 0.00 72.50 70.71 2f3s s THR 47 CO 0.50 -0.05 1.82 -0.65 -0.54 0.00 0.00 174.62 175.70 2f3s h PRO 48 N 1.10 0.66 -0.70 3.99 0.11 -1.99 0.92 132.00 136.09 2f3s h PRO 48 Ca -0.42 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 2f3s h PRO 48 Cb 1.26 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 2f3s h PRO 48 CO 0.58 0.44 0.28 -0.09 -0.21 0.00 0.00 178.00 178.99 2f3s h ARG 49 N 0.68 1.04 -0.68 1.05 2.43 -1.96 -0.40 114.38 116.54 2f3s h ARG 49 Ca 0.52 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 59.49 2f3s h ARG 49 Cb 0.91 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.25 2f3s h ARG 49 CO -0.28 0.85 0.34 -0.44 -1.51 0.00 0.00 179.97 178.93 2f3s h ASP 50 N 1.02 0.87 -0.45 -3.80 3.45 -1.22 -1.74 116.42 114.55 2f3s h ASP 50 Ca 0.24 -0.12 -0.08 0.00 0.43 0.00 0.00 57.03 57.49 2f3s h ASP 50 Cb 0.20 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 38.73 2f3s h ASP 50 CO -0.02 0.74 -0.02 1.88 -1.57 0.00 0.00 179.24 180.25 2f3s h TYR 51 N 0.93 0.94 -0.26 4.55 0.05 -0.70 -1.12 116.97 121.36 2f3s h TYR 51 Ca 0.23 -0.15 -0.01 0.00 0.05 0.00 0.00 58.73 58.86 2f3s h TYR 51 Cb 0.09 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 37.56 2f3s h TYR 51 CO 0.00 0.86 0.14 -0.92 -1.05 0.00 0.00 178.16 177.19 2f3s h TYR 52 N 0.80 0.36 -0.51 4.88 3.20 -0.67 -1.54 116.97 123.48 2f3s h TYR 52 Ca 0.15 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.95 2f3s h TYR 52 Cb 0.51 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.65 2f3s h TYR 52 CO 0.03 0.31 0.07 0.74 -1.64 0.00 0.00 178.16 177.66 2f3s h PHE 53 N 0.30 0.86 -0.55 -3.82 -1.00 -1.08 0.14 116.94 111.79 2f3s h PHE 53 Ca 0.09 -0.10 -0.01 0.00 2.81 0.00 0.00 57.97 60.76 2f3s h PHE 53 Cb 0.07 -0.24 -0.03 0.00 3.61 0.00 0.00 35.95 39.36 2f3s h PHE 53 CO -0.03 0.75 0.30 0.00 -1.61 0.00 0.00 178.31 177.72 2f3s h ALA 54 N 1.30 0.70 -0.41 2.45 0.00 -0.96 0.44 119.26 122.78 2f3s h ALA 54 Ca 0.16 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2f3s h ALA 54 Cb 0.37 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2f3s h ALA 54 CO 0.01 0.23 -0.04 1.25 0.00 0.00 0.00 179.25 180.70 2f3s h LEU 55 N 0.74 0.74 -0.53 0.00 5.85 -0.84 -1.99 115.31 119.28 2f3s h LEU 55 Ca 0.19 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.59 2f3s h LEU 55 Cb 0.05 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 2f3s h LEU 55 CO -0.03 0.89 0.34 0.00 -0.34 0.00 0.00 178.44 179.30 2f3s h ALA 56 N 0.87 0.67 -0.20 1.25 0.00 -0.31 -0.74 119.26 120.80 2f3s h ALA 56 Ca 0.11 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 2f3s h ALA 56 Cb 0.54 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2f3s h ALA 56 CO 0.03 0.12 -0.17 0.45 0.00 0.00 0.00 179.25 179.68 2f3s h HIS 57 N 0.71 0.37 -0.26 0.00 3.86 -0.86 0.49 115.15 119.47 2f3s h HIS 57 Ca 0.19 -0.06 -0.04 0.00 -1.16 0.00 0.00 60.37 59.31 2f3s h HIS 57 Cb -0.07 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.29 2f3s h HIS 57 CO -0.04 0.50 0.01 1.15 0.86 0.00 0.00 177.93 180.41 2f3s h THR 58 N 0.32 1.25 -0.42 2.45 2.02 -0.57 -1.90 112.91 116.06 2f3s h THR 58 Ca 0.06 -0.89 -0.14 0.00 0.77 0.00 0.00 66.41 66.20 2f3s h THR 58 Cb 0.49 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 2f3s h THR 58 CO 0.03 0.28 -0.30 0.58 0.37 0.00 0.00 175.52 176.48 2f3s h VAL 59 N 0.23 1.27 -0.89 3.16 2.07 -0.97 -2.98 116.25 118.14 2f3s h VAL 59 Ca 0.07 -1.47 0.08 0.00 0.82 0.00 0.00 66.70 66.21 2f3s h VAL 59 Cb 0.41 1.27 -0.07 0.00 -1.52 0.00 0.00 31.29 31.37 2f3s h VAL 59 CO 0.01 0.50 0.55 -0.09 0.02 0.00 0.00 177.57 178.55 2f3s h ARG 60 N 0.77 0.92 -0.89 1.57 2.43 -0.76 -1.52 114.38 116.90 2f3s h ARG 60 Ca 0.08 -0.06 0.13 0.00 -0.81 0.00 0.00 59.98 59.33 2f3s h ARG 60 Cb 0.88 -0.21 -0.07 0.00 -0.42 0.00 0.00 29.97 30.15 2f3s h ARG 60 CO 0.08 0.61 0.58 -0.44 -1.51 0.00 0.00 179.97 179.28 2f3s h ASP 61 N 0.95 0.71 0.75 -3.80 3.45 -1.18 0.20 116.42 117.49 2f3s h ASP 61 Ca 0.41 0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.91 2f3s h ASP 61 Cb 0.29 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 38.95 2f3s h ASP 61 CO -0.21 0.37 0.00 0.45 -1.57 0.00 0.00 179.24 178.28 2f3s h HIS 62 N 0.76 0.00 0.18 4.55 3.86 -1.33 -3.08 115.15 120.09 2f3s h HIS 62 Ca 0.44 0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 59.33 2f3s h HIS 62 Cb 0.62 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.11 2f3s h HIS 62 CO -0.00 0.00 -1.53 -0.07 0.86 0.00 0.00 177.93 177.19 2f3s h LEU 63 N 0.00 0.59 -0.53 2.43 3.38 -0.94 -3.40 115.31 116.85 2f3s h LEU 63 Ca 0.00 -0.74 0.10 0.00 0.09 0.00 0.00 57.88 57.33 2f3s h LEU 63 Cb 0.37 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 40.85 2f3s h LEU 63 CO 0.00 1.60 0.02 -0.37 0.09 0.00 0.00 178.44 179.78 2f3s h VAL 64 N 0.10 0.60 -0.14 1.22 -1.51 -1.42 0.61 116.25 115.72 2f3s h VAL 64 Ca -0.26 -0.05 0.03 0.00 -1.23 0.00 0.00 66.70 65.20 2f3s h VAL 64 Cb 2.08 0.45 -0.03 0.00 -2.13 0.00 0.00 31.29 31.66 2f3s h VAL 64 CO 0.21 0.03 -0.07 1.23 -1.23 0.00 0.00 177.57 177.74 2f3s h GLY 65 N 0.14 0.06 1.31 5.19 0.00 -1.77 0.04 103.07 108.05 2f3s h GLY 65 Ca 0.27 0.09 -0.06 0.00 0.00 0.00 0.00 47.33 47.62 2f3s h GLY 65 CO -0.42 -0.09 0.07 3.21 0.00 0.00 0.00 176.54 179.31 2f3s h ARG 66 N -0.06 0.85 -0.10 4.80 3.08 -1.67 -2.36 114.38 118.93 2f3s h ARG 66 Ca 0.08 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 2f3s h ARG 66 Cb 0.17 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 2f3s h ARG 66 CO -0.18 0.81 0.04 2.35 -1.07 0.00 0.00 179.97 181.92 2f3s h TRP 67 N 0.81 0.15 -0.61 3.04 7.01 -0.34 -0.03 115.95 125.97 2f3s h TRP 67 Ca 0.17 -0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.12 2f3s h TRP 67 Cb 0.38 -0.04 -0.03 0.00 -2.10 0.00 0.00 29.16 27.37 2f3s h TRP 67 CO 0.02 0.25 0.26 0.82 -2.79 0.00 0.00 178.44 177.00 2f3s h ILE 68 N 0.00 1.23 0.00 2.65 2.04 -0.89 -2.49 117.51 120.06 2f3s h ILE 68 Ca 0.03 -0.70 -0.12 0.00 1.00 0.00 0.00 64.86 65.07 2f3s h ILE 68 Cb 0.16 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 2f3s h ILE 68 CO -0.00 0.27 -0.58 0.08 0.00 0.00 0.00 178.15 177.92 2f3s h ARG 69 N 0.85 0.00 0.01 2.37 0.11 -1.36 -1.68 114.38 114.68 2f3s h ARG 69 Ca 0.21 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.28 2f3s h ARG 69 Cb 0.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.27 2f3s h ARG 69 CO -0.02 0.58 -0.01 1.15 0.10 0.00 0.00 179.97 181.78 2f3s h THR 70 N 0.00 1.14 -0.53 0.08 2.02 -0.82 0.20 112.91 115.00 2f3s h THR 70 Ca -0.01 -0.45 -0.04 0.00 0.77 0.00 0.00 66.41 66.68 2f3s h THR 70 Cb 1.28 1.44 -0.03 0.00 -1.74 0.00 0.00 68.15 69.11 2f3s h THR 70 CO 0.08 0.12 0.17 1.56 0.37 0.00 0.00 175.52 177.81 2f3s h GLN 71 N -0.21 0.79 -0.65 6.66 1.08 -1.43 -1.35 115.11 120.00 2f3s h GLN 71 Ca -0.00 -0.14 -0.08 0.00 -1.45 0.00 0.00 58.65 56.98 2f3s h GLN 71 Cb 0.20 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.48 2f3s h GLN 71 CO 0.00 0.68 0.09 0.37 -0.95 0.00 0.00 178.83 179.02 2f3s h GLN 72 N 0.77 1.08 -0.09 1.46 5.75 -1.08 -2.45 115.11 120.55 2f3s h GLN 72 Ca 0.18 -0.29 0.03 0.00 -0.15 0.00 0.00 58.65 58.41 2f3s h GLN 72 Cb 0.22 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.62 2f3s h GLN 72 CO -0.01 1.00 -0.08 1.25 -2.65 0.00 0.00 178.83 178.33 2f3s h HIS 73 N 1.00 -0.20 -0.34 3.99 2.76 0.44 -1.41 115.15 121.39 2f3s h HIS 73 Ca 0.20 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.37 2f3s h HIS 73 Cb 0.46 0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.50 2f3s h HIS 73 CO 0.03 -0.13 0.19 1.88 -1.30 0.00 0.00 177.93 178.60 2f3s h TYR 74 N -0.10 0.45 -0.30 5.26 0.05 -1.13 -0.36 116.97 120.83 2f3s h TYR 74 Ca 0.06 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.73 2f3s h TYR 74 Cb 0.19 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 37.77 2f3s h TYR 74 CO -0.19 0.32 -0.28 -0.92 -1.05 0.00 0.00 178.16 176.04 2f3s h TYR 75 N 0.47 0.69 0.23 4.88 3.20 -0.92 0.24 116.97 125.77 2f3s h TYR 75 Ca 0.12 -0.16 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 2f3s h TYR 75 Cb 0.01 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.12 2f3s h TYR 75 CO 0.00 0.82 -0.11 0.93 -1.64 0.00 0.00 178.16 178.16 2f3s h GLU 76 N 0.53 -0.29 0.00 1.82 4.39 -0.16 -3.33 114.58 117.53 2f3s h GLU 76 Ca 0.07 0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 2f3s h GLU 76 Cb 0.75 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.46 2f3s h GLU 76 CO 0.06 0.07 -0.02 0.87 -1.16 0.00 0.00 179.01 178.82 2f3s h LYS 77 N -0.91 0.00 -6.44 2.33 1.57 -1.18 -3.48 116.57 108.46 2f3s h LYS 77 Ca -0.03 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.26 2f3s h LYS 77 Cb 0.50 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 2f3s h LYS 77 CO 0.05 0.02 -0.92 -3.47 -0.57 0.00 0.00 179.45 174.57 2f3s n ASP 78 N -3.11 -2.37 -4.68 0.86 2.03 0.85 -4.96 116.55 105.18 2f3s n ASP 78 Ca 0.03 -1.04 -0.29 0.00 0.52 0.00 0.00 54.79 54.02 2f3s n ASP 78 Cb 0.50 -3.04 0.15 0.00 -0.72 0.00 0.00 41.12 38.01 2f3s n ASP 78 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2f3s s PRO 79 N -6.43 0.93 0.20 -0.67 0.04 -1.26 -4.96 135.00 122.85 2f3s s PRO 79 Ca 0.21 0.23 -0.30 0.00 0.04 0.00 0.00 61.00 61.17 2f3s s PRO 79 Cb -0.08 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 32.55 2f3s s PRO 79 CO 0.89 -2.33 1.40 0.21 0.04 0.00 0.00 177.00 177.21 2f3s s LYS 80 N -5.32 4.31 -0.03 4.56 2.20 -1.26 -4.97 119.74 119.24 2f3s s LYS 80 Ca 0.65 2.18 -0.13 0.00 -0.36 0.00 0.00 55.97 58.31 2f3s s LYS 80 Cb -0.14 -3.17 -0.05 0.00 -1.51 0.00 0.00 37.83 32.96 2f3s s LYS 80 CO 0.54 -0.38 0.35 1.03 -0.36 0.00 0.00 175.35 176.52 2f3s s ARG 81 N 0.16 3.81 -0.21 4.03 3.00 -0.15 -4.54 118.95 125.05 2f3s s ARG 81 Ca 0.61 0.29 -0.06 0.00 0.00 0.00 0.00 55.73 56.57 2f3s s ARG 81 Cb -0.39 -3.21 -0.02 0.00 0.00 0.00 0.00 34.95 31.32 2f3s s ARG 81 CO 0.38 0.71 0.01 0.42 0.00 0.00 0.00 175.30 176.82 2f3s s ILE 82 N -1.07 4.00 -0.29 1.52 -1.09 -0.44 -1.34 121.20 122.49 2f3s s ILE 82 Ca 0.22 -0.29 -0.03 0.00 -2.23 0.00 0.00 60.65 58.32 2f3s s ILE 82 Cb -0.16 -2.82 0.04 0.00 -1.58 0.00 0.00 42.46 37.94 2f3s s ILE 82 CO 0.11 0.41 0.00 -0.31 -1.23 0.00 0.00 174.94 173.92 2f3s s TYR 83 N 1.18 3.19 -0.50 3.97 2.02 0.47 -0.59 117.35 127.10 2f3s s TYR 83 Ca 0.03 -1.63 -0.17 0.00 -0.37 0.00 0.00 57.07 54.94 2f3s s TYR 83 Cb -0.14 -2.13 0.08 0.00 -0.40 0.00 0.00 41.96 39.37 2f3s s TYR 83 CO 0.02 -0.75 0.48 -0.47 -1.57 0.00 0.00 175.55 173.26 2f3s s TYR 84 N 1.32 3.19 -0.20 2.71 5.04 -0.25 -0.85 117.35 128.31 2f3s s TYR 84 Ca -0.02 -0.92 -0.18 0.00 -2.44 0.00 0.00 57.07 53.50 2f3s s TYR 84 Cb -0.18 -3.41 -0.03 0.00 0.35 0.00 0.00 41.96 38.68 2f3s s TYR 84 CO -0.01 -0.92 0.52 -0.51 -1.34 0.00 0.00 175.55 173.29 2f3s s LEU 85 N 1.90 4.15 -0.07 6.97 1.02 -0.65 -1.51 118.68 130.48 2f3s s LEU 85 Ca 0.06 0.68 -0.15 0.00 0.02 0.00 0.00 54.13 54.74 2f3s s LEU 85 Cb -0.24 -2.71 0.03 0.00 0.02 0.00 0.00 46.19 43.29 2f3s s LEU 85 CO 0.07 -0.18 0.37 -0.55 0.02 0.00 0.00 176.35 176.08 2f3s s SER 86 N 1.15 -0.32 0.00 2.29 0.15 -0.89 -1.94 113.70 114.14 2f3s s SER 86 Ca 0.24 0.44 0.28 0.00 0.70 0.00 0.00 55.95 57.61 2f3s s SER 86 Cb -0.15 0.54 1.11 0.00 -1.71 0.00 0.00 66.02 65.81 2f3s s SER 86 CO 0.10 -0.32 1.78 0.18 1.20 0.00 0.00 173.24 176.17 2f3s n LEU 87 N 1.95 1.19 -3.83 3.45 4.32 -1.26 -4.09 117.00 118.73 2f3s n LEU 87 Ca -0.18 -0.37 -0.14 0.00 -0.02 0.00 0.00 56.01 55.29 2f3s n LEU 87 Cb 0.57 -0.03 -0.15 0.00 -1.62 0.00 0.00 43.42 42.18 2f3s n LEU 87 CO 0.18 0.20 -0.36 -1.61 -1.22 0.00 0.00 177.39 174.58 2f3s s GLU 88 N -2.11 0.09 -0.31 3.23 2.02 -1.26 -4.69 118.70 115.67 2f3s s GLU 88 Ca 0.36 0.07 -0.03 0.00 0.02 0.00 0.00 54.97 55.39 2f3s s GLU 88 Cb 0.21 -0.22 0.11 0.00 0.10 0.00 0.00 34.13 34.33 2f3s s GLU 88 CO 0.38 -0.08 0.16 -0.06 0.02 0.00 0.00 175.26 175.67 2f3s s PHE 89 N 0.58 0.49 -1.27 1.61 0.40 0.08 -4.63 117.98 115.24 2f3s s PHE 89 Ca -0.05 -1.15 -0.15 0.00 -0.60 0.00 0.00 56.93 54.99 2f3s s PHE 89 Cb -0.08 -0.93 0.12 0.00 0.51 0.00 0.00 43.02 42.65 2f3s s PHE 89 CO -0.01 -0.83 1.66 0.98 0.70 0.00 0.00 175.22 177.72 2f3s n TYR 90 N 4.85 4.51 0.09 0.36 4.19 -0.39 -3.54 117.16 127.22 2f3s n TYR 90 Ca -0.00 -3.08 -0.08 0.00 3.31 0.00 0.00 57.90 58.05 2f3s n TYR 90 Cb 0.40 -2.35 0.01 0.00 0.49 0.00 0.00 39.34 37.89 2f3s n TYR 90 CO 0.00 0.00 0.00 0.52 0.91 0.00 0.00 176.86 178.29 2f3s h MET 91 N 7.03 0.18 0.00 2.98 2.86 -1.79 -3.41 114.93 122.77 2f3s h MET 91 Ca 0.40 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 2f3s h MET 91 Cb 0.82 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.54 2f3s h MET 91 CO 1.42 0.92 0.00 0.41 1.06 0.00 0.00 176.91 180.72 2f3s n GLY 92 N 0.80 -0.00 3.84 8.32 0.00 -0.97 -4.79 105.19 112.38 2f3s n GLY 92 Ca -0.03 -0.96 -0.32 0.00 0.00 0.00 0.00 46.02 44.70 2f3s n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2f3s s ARG 93 N 0.00 4.05 -0.04 1.61 0.52 -1.26 -1.58 118.95 122.25 2f3s s ARG 93 Ca 0.00 0.93 0.10 0.00 -0.52 0.00 0.00 55.73 56.24 2f3s s ARG 93 Cb 0.00 -2.22 -0.15 0.00 0.52 0.00 0.00 34.95 33.10 2f3s s ARG 93 CO 0.00 -0.10 0.18 2.41 0.02 0.00 0.00 175.30 177.80 2f3s n THR 94 N -1.04 0.19 0.37 0.02 -1.04 -1.26 -4.65 114.28 106.87 2f3s n THR 94 Ca 0.06 -0.29 -0.18 0.00 -2.04 0.00 0.00 64.05 61.60 2f3s n THR 94 Cb 0.54 -0.03 -0.09 0.00 -1.82 0.00 0.00 70.33 68.93 2f3s n THR 94 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2f3s h LEU 95 N 0.00 -1.18 -0.81 -4.42 5.85 -1.96 -1.33 115.31 111.45 2f3s h LEU 95 Ca -0.08 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 2f3s h LEU 95 Cb 0.81 0.36 -0.04 0.00 0.37 0.00 0.00 40.66 42.16 2f3s h LEU 95 CO 0.00 -0.68 0.41 -0.61 -0.34 0.00 0.00 178.44 177.22 2f3s h GLN 96 N -1.08 1.15 -0.89 1.25 4.15 -1.96 -2.01 115.11 115.73 2f3s h GLN 96 Ca -0.09 -0.15 0.01 0.00 0.77 0.00 0.00 58.65 59.19 2f3s h GLN 96 Cb 0.88 -0.22 -0.04 0.00 0.21 0.00 0.00 27.48 28.31 2f3s h GLN 96 CO 0.06 0.87 0.59 -0.97 -1.93 0.00 0.00 178.83 177.45 2f3s h ASN 97 N 1.14 1.01 -0.45 -0.69 -0.73 -1.81 -0.34 115.58 113.70 2f3s h ASN 97 Ca 0.28 -0.02 -0.13 0.00 1.87 0.00 0.00 56.30 58.30 2f3s h ASN 97 Cb 0.08 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 38.41 2f3s h ASN 97 CO -0.04 0.72 -0.21 0.74 -0.37 0.00 0.00 177.43 178.27 2f3s h THR 98 N 1.19 1.27 -0.58 -3.57 2.02 -0.76 -2.08 112.91 110.39 2f3s h THR 98 Ca 0.33 -1.37 -0.06 0.00 0.77 0.00 0.00 66.41 66.08 2f3s h THR 98 Cb -0.12 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 2f3s h THR 98 CO -0.08 0.47 0.14 0.24 0.37 0.00 0.00 175.52 176.66 2f3s h MET 99 N 0.78 0.94 -0.03 6.66 2.86 -0.75 -1.91 114.93 123.49 2f3s h MET 99 Ca 0.10 -0.23 0.01 0.00 -2.06 0.00 0.00 59.70 57.52 2f3s h MET 99 Cb 0.79 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 2f3s h MET 99 CO 0.07 0.87 -0.01 0.28 1.06 0.00 0.00 176.91 179.17 2f3s h VAL 100 N 0.85 0.96 0.00 -2.22 2.07 -0.98 0.20 116.25 117.13 2f3s h VAL 100 Ca 0.18 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.70 2f3s h VAL 100 Cb 0.35 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2f3s h VAL 100 CO 0.00 0.00 0.00 0.78 0.02 0.00 0.00 177.57 178.37 2f3s h ASN 101 N -0.01 0.00 -0.02 0.57 4.21 -1.25 -2.56 115.58 116.51 2f3s h ASN 101 Ca 0.02 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.53 2f3s h ASN 101 Cb 0.03 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.23 2f3s h ASN 101 CO -0.03 0.00 -0.05 0.18 -1.29 0.00 0.00 177.43 176.24 2f3s n LEU 102 N -2.76 2.44 -3.38 1.61 4.32 -0.73 -0.72 117.00 117.79 2f3s n LEU 102 Ca 0.01 -0.97 -0.21 0.00 -0.02 0.00 0.00 56.01 54.82 2f3s n LEU 102 Cb 0.28 0.00 0.08 0.00 -1.62 0.00 0.00 43.42 42.15 2f3s n LEU 102 CO 0.24 0.43 0.21 0.00 -1.22 0.00 0.00 177.39 177.06 2f3s n ALA 103 N 0.90 -1.32 0.29 -1.18 0.00 0.25 -4.92 120.51 114.52 2f3s n ALA 103 Ca 0.10 0.32 0.04 0.00 0.00 0.00 0.00 53.44 53.91 2f3s n ALA 103 Cb 0.45 -4.79 0.05 0.00 0.00 0.00 0.00 19.45 15.16 2f3s n ALA 103 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2f3s n LEU 104 N -4.61 1.90 0.01 0.00 4.32 0.45 -4.52 117.00 114.55 2f3s n LEU 104 Ca -0.03 -1.16 -0.10 0.00 -0.02 0.00 0.00 56.01 54.70 2f3s n LEU 104 Cb 0.57 -0.03 -0.04 0.00 -1.62 0.00 0.00 43.42 42.30 2f3s n LEU 104 CO 0.60 0.40 0.79 -0.08 -1.22 0.00 0.00 177.39 177.88 2f3s h GLU 105 N 1.72 -0.13 -0.50 3.23 4.81 -1.64 -0.39 114.58 121.68 2f3s h GLU 105 Ca 0.00 0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 2f3s h GLU 105 Cb 0.42 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 2f3s h GLU 105 CO 0.00 -0.09 -0.18 -0.91 -0.73 0.00 0.00 179.01 177.10 2f3s h ASN 106 N -0.14 1.01 -0.27 1.04 2.35 -1.44 -0.15 115.58 117.98 2f3s h ASN 106 Ca 0.07 -0.36 -0.00 0.00 -0.55 0.00 0.00 56.30 55.45 2f3s h ASN 106 Cb 0.24 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 2f3s h ASN 106 CO -0.17 1.15 0.17 0.00 -1.65 0.00 0.00 177.43 176.93 2f3s h ALA 107 N 0.92 0.35 -0.23 -0.83 0.00 -1.61 0.29 119.26 118.15 2f3s h ALA 107 Ca 0.12 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 2f3s h ALA 107 Cb 0.75 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2f3s h ALA 107 CO 0.06 -0.16 -0.29 0.00 0.00 0.00 0.00 179.25 178.87 2f3s h ASP 109 N 0.40 0.43 0.03 0.00 3.58 -0.43 -0.85 116.42 119.58 2f3s h ASP 109 Ca 0.05 -0.20 -0.00 0.00 0.42 0.00 0.00 57.03 57.30 2f3s h ASP 109 Cb 0.71 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.65 2f3s h ASP 109 CO 0.05 0.52 -0.01 -0.08 -2.88 0.00 0.00 179.24 176.84 2f3s h GLU 110 N 0.32 -0.04 -0.45 0.28 4.57 -0.16 -1.42 114.58 117.68 2f3s h GLU 110 Ca 0.10 0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.36 2f3s h GLU 110 Cb 0.24 0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 28.77 2f3s h GLU 110 CO -0.00 0.28 0.06 0.00 -1.18 0.00 0.00 179.01 178.17 2f3s h ALA 111 N 0.60 0.48 -0.29 2.92 0.00 -0.61 0.19 119.26 122.55 2f3s h ALA 111 Ca -0.00 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 2f3s h ALA 111 Cb 0.33 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2f3s h ALA 111 CO 0.01 -0.34 -0.29 1.79 0.00 0.00 0.00 179.25 180.42 2f3s h THR 112 N 0.19 1.28 -0.39 0.00 1.35 -1.17 -2.55 112.91 111.62 2f3s h THR 112 Ca 0.22 -1.39 0.03 0.00 -0.55 0.00 0.00 66.41 64.72 2f3s h THR 112 Cb 0.30 1.37 -0.03 0.00 -1.73 0.00 0.00 68.15 68.06 2f3s h THR 112 CO -0.32 0.45 0.20 0.22 -0.25 0.00 0.00 175.52 175.82 2f3s h TYR 113 N 0.52 0.37 0.00 4.73 3.20 -0.16 0.91 116.97 126.54 2f3s h TYR 113 Ca 0.07 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 2f3s h TYR 113 Cb 0.76 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.92 2f3s h TYR 113 CO 0.03 0.20 -0.11 1.96 -1.64 0.00 0.00 178.16 178.60 2f3s h GLN 114 N 0.41 0.00 -0.04 1.82 4.20 -0.78 0.83 115.11 121.54 2f3s h GLN 114 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 2f3s h GLN 114 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 2f3s h GLN 114 CO -0.11 0.11 0.00 1.28 -0.67 0.00 0.00 178.83 179.44 2f3s n LEU 115 N -3.62 0.95 -0.21 1.46 4.32 -0.57 -4.90 117.00 114.43 2f3s n LEU 115 Ca -0.02 -0.34 -0.02 0.00 -0.02 0.00 0.00 56.01 55.61 2f3s n LEU 115 Cb 0.23 -0.02 -0.00 0.00 -1.62 0.00 0.00 43.42 42.01 2f3s n LEU 115 CO 0.30 0.17 -0.02 0.61 -1.22 0.00 0.00 177.39 177.22 2f3s n GLY 116 N 1.07 0.31 3.29 -0.72 0.00 0.28 -5.06 105.19 104.36 2f3s n GLY 116 Ca 0.19 -0.82 -0.25 0.00 0.00 0.00 0.00 46.02 45.14 2f3s n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2f3s s LEU 117 N -0.53 2.25 -0.41 0.99 1.43 0.21 -5.00 118.68 117.61 2f3s s LEU 117 Ca 0.00 -0.63 -0.17 0.00 -1.03 0.00 0.00 54.13 52.30 2f3s s LEU 117 Cb 0.00 -0.97 0.02 0.00 0.03 0.00 0.00 46.19 45.27 2f3s s LEU 117 CO 0.00 0.12 0.43 -0.62 0.23 0.00 0.00 176.35 176.51 2f3s s ASP 118 N -1.62 6.20 0.34 2.29 3.68 -1.26 -3.27 116.67 123.02 2f3s s ASP 118 Ca 0.08 -0.63 0.02 0.00 2.13 0.00 0.00 52.55 54.15 2f3s s ASP 118 Cb -0.10 -2.22 0.62 0.00 -1.45 0.00 0.00 42.92 39.78 2f3s s ASP 118 CO 0.03 -0.56 1.98 -0.03 0.13 0.00 0.00 175.17 176.72 2f3s h MET 119 N 8.71 0.86 -0.05 4.34 1.85 -1.91 -1.94 114.93 126.78 2f3s h MET 119 Ca -0.27 -0.05 -0.03 0.00 -0.61 0.00 0.00 59.70 58.74 2f3s h MET 119 Cb 1.11 -0.19 -0.01 0.00 0.43 0.00 0.00 31.60 32.94 2f3s h MET 119 CO 0.79 0.57 -0.13 0.93 -0.40 0.00 0.00 176.91 178.67 2f3s h GLU 120 N 0.89 0.07 -0.33 0.39 5.08 -2.00 -0.70 114.58 117.98 2f3s h GLU 120 Ca 0.28 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.46 2f3s h GLU 120 Cb 0.02 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2f3s h GLU 120 CO -0.07 0.21 -0.43 1.49 -1.00 0.00 0.00 179.01 179.20 2f3s h GLU 121 N 0.07 0.87 -0.25 2.33 4.81 -1.78 -2.98 114.58 117.65 2f3s h GLU 121 Ca 0.01 -0.50 -0.11 0.00 -0.13 0.00 0.00 59.36 58.63 2f3s h GLU 121 Cb 0.28 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 2f3s h GLU 121 CO 0.02 1.14 -0.33 -0.07 -0.73 0.00 0.00 179.01 179.04 2f3s h LEU 122 N 0.67 0.54 -1.34 1.64 4.07 -1.09 -2.98 115.31 116.81 2f3s h LEU 122 Ca 0.04 -0.21 -0.04 0.00 0.08 0.00 0.00 57.88 57.75 2f3s h LEU 122 Cb 1.03 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.60 2f3s h LEU 122 CO 0.10 0.83 -0.01 -0.33 -1.08 0.00 0.00 178.44 177.96 2f3s h GLU 123 N 0.44 0.42 0.00 1.13 5.08 -1.07 -2.08 114.58 118.50 2f3s h GLU 123 Ca 0.05 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2f3s h GLU 123 Cb 0.79 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.98 2f3s h GLU 123 CO 0.06 0.46 0.00 0.39 -1.00 0.00 0.00 179.01 178.93 2f3s n GLU 124 N -4.31 0.05 0.08 2.33 -0.58 -1.13 -2.71 120.64 114.37 2f3s n GLU 124 Ca 0.01 0.33 -0.03 0.00 -0.42 0.00 0.00 57.16 57.04 2f3s n GLU 124 Cb 0.23 -1.60 -0.07 0.00 -0.57 0.00 0.00 31.44 29.44 2f3s n GLU 124 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2f3s h ILE 125 N 0.00 1.26 -3.46 -3.67 2.04 -1.46 -3.46 117.51 108.77 2f3s h ILE 125 Ca 0.00 -2.84 -0.53 0.00 1.00 0.00 0.00 64.86 62.50 2f3s h ILE 125 Cb 0.24 2.61 0.07 0.00 -0.74 0.00 0.00 36.82 38.99 2f3s h ILE 125 CO 0.00 0.72 0.78 -0.70 0.00 0.00 0.00 178.15 178.95 2f3s s GLU 126 N -2.81 4.23 0.31 2.37 2.12 -1.10 -4.99 118.70 118.83 2f3s s GLU 126 Ca 0.01 2.38 -0.27 0.00 0.36 0.00 0.00 54.97 57.46 2f3s s GLU 126 Cb 0.09 -3.07 -0.10 0.00 0.26 0.00 0.00 34.13 31.31 2f3s s GLU 126 CO 0.79 -0.46 0.95 -1.21 -0.54 0.00 0.00 175.26 174.79 2f3s s GLU 127 N -0.66 4.61 0.40 4.30 0.41 -1.26 -4.96 118.70 121.54 2f3s s GLU 127 Ca 0.59 1.35 -0.25 0.00 -0.41 0.00 0.00 54.97 56.25 2f3s s GLU 127 Cb -0.43 -2.86 -0.08 0.00 -1.78 0.00 0.00 34.13 28.97 2f3s s GLU 127 CO 0.47 0.30 1.15 -0.51 -0.49 0.00 0.00 175.26 176.18 2f3s s ASP 128 N -1.56 6.54 -0.98 -0.19 1.11 -1.26 -4.61 116.67 115.73 2f3s s ASP 128 Ca 0.49 2.29 -0.17 0.00 0.18 0.00 0.00 52.55 55.35 2f3s s ASP 128 Cb -0.20 -2.61 0.16 0.00 1.07 0.00 0.00 42.92 41.34 2f3s s ASP 128 CO 0.25 -0.66 1.13 0.00 1.18 0.00 0.00 175.17 177.07 2f3s s ALA 129 N -1.46 3.64 -1.06 5.23 0.00 -0.61 -4.88 121.76 122.62 2f3s s ALA 129 Ca 0.58 -3.00 -0.05 0.00 0.00 0.00 0.00 51.96 49.48 2f3s s ALA 129 Cb -0.29 -3.97 0.06 0.00 0.00 0.00 0.00 23.12 18.92 2f3s s ALA 129 CO 0.36 -2.81 2.61 0.41 0.00 0.00 0.00 175.76 176.33 2f3s n GLY 130 N 4.90 4.78 1.92 0.00 0.00 -1.26 -2.30 105.19 113.23 2f3s n GLY 130 Ca 0.25 -1.91 -0.15 0.00 0.00 0.00 0.00 46.02 44.21 2f3s n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2f3s n LEU 131 N 1.72 6.22 -3.76 0.99 4.77 -1.23 -0.94 117.00 124.77 2f3s n LEU 131 Ca 0.60 -3.25 -0.08 0.00 -0.03 0.00 0.00 56.01 53.25 2f3s n LEU 131 Cb 0.36 -1.11 -0.02 0.00 -2.33 0.00 0.00 43.42 40.32 2f3s n LEU 131 CO 0.58 1.29 0.47 -0.83 -1.33 0.00 0.00 177.39 177.57 2f3s s GLY 132 N 0.60 -0.21 -0.23 -0.72 0.00 -1.26 -0.74 107.32 104.76 2f3s s GLY 132 Ca 0.32 -0.11 -0.02 0.00 0.00 0.00 0.00 44.72 44.90 2f3s s GLY 132 CO -0.03 -0.03 -0.10 0.70 0.00 0.00 0.00 173.10 173.64 2f3s n ASN 133 N -0.44 2.01 0.00 1.64 3.02 -1.26 -4.47 115.26 115.75 2f3s n ASN 133 Ca -0.07 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 2f3s n ASN 133 Cb 0.60 -0.57 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 2f3s n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2f3s n GLY 134 N 2.07 1.09 0.23 7.41 0.00 -1.26 -4.91 105.19 109.82 2f3s n GLY 134 Ca -0.43 0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2f3s n GLY 134 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2f3s h GLY 135 N 0.00 0.70 0.95 -0.02 0.00 -1.98 -0.60 103.07 102.12 2f3s h GLY 135 Ca 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.32 2f3s h GLY 135 CO 0.00 -0.14 0.16 -2.00 0.00 0.00 0.00 176.54 174.55 2f3s h LEU 136 N 0.19 0.64 -0.65 3.11 6.46 -1.98 -0.72 115.31 122.37 2f3s h LEU 136 Ca 0.31 -0.19 -0.14 0.00 -0.12 0.00 0.00 57.88 57.74 2f3s h LEU 136 Cb 0.48 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.23 2f3s h LEU 136 CO -0.44 0.66 -0.40 1.23 -0.62 0.00 0.00 178.44 178.87 2f3s h GLY 137 N 0.59 0.65 1.57 3.75 0.00 -1.73 -2.95 103.07 104.95 2f3s h GLY 137 Ca 0.15 -0.65 -0.15 0.00 0.00 0.00 0.00 47.33 46.67 2f3s h GLY 137 CO -0.01 0.59 -0.55 -0.09 0.00 0.00 0.00 176.54 176.48 2f3s h ARG 138 N 0.49 0.45 -0.74 4.80 1.12 -1.00 -0.99 114.38 118.52 2f3s h ARG 138 Ca 0.04 -0.28 -0.00 0.00 -1.11 0.00 0.00 59.98 58.63 2f3s h ARG 138 Cb 0.91 0.03 -0.04 0.00 -0.01 0.00 0.00 29.97 30.87 2f3s h ARG 138 CO 0.08 0.88 0.46 1.25 -3.11 0.00 0.00 179.97 179.53 2f3s h LEU 139 N 0.35 0.88 -1.04 3.80 5.85 -1.06 -0.19 115.31 123.89 2f3s h LEU 139 Ca 0.01 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.69 2f3s h LEU 139 Cb 1.07 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.83 2f3s h LEU 139 CO 0.10 0.67 0.65 0.00 -0.34 0.00 0.00 178.44 179.51 2f3s h ALA 140 N 1.25 1.31 -0.23 1.25 0.00 -1.37 0.15 119.26 121.61 2f3s h ALA 140 Ca 0.27 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 2f3s h ALA 140 Cb -0.06 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.33 2f3s h ALA 140 CO -0.05 0.64 -0.05 0.00 0.00 0.00 0.00 179.25 179.79 2f3s h ALA 141 N 1.39 0.31 -0.82 0.00 0.00 -1.15 -1.69 119.26 117.31 2f3s h ALA 141 Ca 0.36 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2f3s h ALA 141 Cb -0.14 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 2f3s h ALA 141 CO -0.08 0.09 0.41 0.00 0.00 0.00 0.00 179.25 179.68 2f3s h PHE 143 N 1.15 1.01 -0.82 0.00 -1.00 -0.52 -1.65 116.94 115.11 2f3s h PHE 143 Ca 0.28 -0.07 -0.00 0.00 2.81 0.00 0.00 57.97 60.99 2f3s h PHE 143 Cb 0.08 -0.30 -0.04 0.00 3.61 0.00 0.00 35.95 39.29 2f3s h PHE 143 CO 0.01 0.78 0.50 -0.07 -1.61 0.00 0.00 178.31 177.92 2f3s h LEU 144 N 0.95 0.98 -0.30 1.54 3.38 -0.95 0.85 115.31 121.75 2f3s h LEU 144 Ca 0.22 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 2f3s h LEU 144 Cb 0.19 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2f3s h LEU 144 CO -0.02 0.76 0.18 -0.78 0.09 0.00 0.00 178.44 178.66 2f3s h ASP 145 N 1.12 0.37 -0.32 -0.43 3.58 -1.15 -2.40 116.42 117.18 2f3s h ASP 145 Ca 0.29 -0.07 -0.11 0.00 0.42 0.00 0.00 57.03 57.57 2f3s h ASP 145 Cb -0.05 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 40.89 2f3s h ASP 145 CO -0.06 0.33 -0.20 0.28 -2.88 0.00 0.00 179.24 176.71 2f3s h SER 146 N 0.38 0.81 -0.20 2.28 0.02 -0.83 -1.25 113.55 114.75 2f3s h SER 146 Ca 0.11 -0.28 -0.06 0.00 -0.84 0.00 0.00 61.79 60.71 2f3s h SER 146 Cb 0.03 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 2f3s h SER 146 CO -0.02 0.99 -0.07 0.24 -1.14 0.00 0.00 176.83 176.83 2f3s h MET 147 N 0.70 0.54 -0.11 3.45 2.86 -0.71 0.37 114.93 122.03 2f3s h MET 147 Ca 0.10 -0.14 -0.22 0.00 -2.06 0.00 0.00 59.70 57.38 2f3s h MET 147 Cb 0.72 -0.07 0.01 0.00 0.06 0.00 0.00 31.60 32.32 2f3s h MET 147 CO 0.06 0.62 -0.81 0.00 1.06 0.00 0.00 176.91 177.83 2f3s h ALA 148 N 1.42 0.36 0.00 6.32 0.00 -1.28 -0.68 119.26 125.40 2f3s h ALA 148 Ca 0.10 -0.62 -0.07 0.00 0.00 0.00 0.00 54.91 54.32 2f3s h ALA 148 Cb 0.44 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2f3s h ALA 148 CO 0.02 0.71 -0.32 1.15 0.00 0.00 0.00 179.25 180.81 2f3s h THR 149 N 0.44 0.98 -0.56 0.00 2.02 -0.85 -2.64 112.91 112.31 2f3s h THR 149 Ca -0.06 -1.20 0.00 0.00 0.77 0.00 0.00 66.41 65.92 2f3s h THR 149 Cb 1.43 1.70 0.00 0.00 -1.74 0.00 0.00 68.15 69.54 2f3s h THR 149 CO 0.16 0.31 0.00 0.18 0.37 0.00 0.00 175.52 176.54 2f3s n LEU 150 N -3.80 4.39 -2.57 2.58 4.77 0.09 -4.75 117.00 117.70 2f3s n LEU 150 Ca -0.01 -2.22 -0.21 0.00 -0.03 0.00 0.00 56.01 53.54 2f3s n LEU 150 Cb 0.41 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 2f3s n LEU 150 CO 0.36 0.70 -0.19 0.61 -1.33 0.00 0.00 177.39 177.54 2f3s n GLY 151 N 0.96 -0.51 3.84 -0.72 0.00 -1.00 0.08 105.19 107.85 2f3s n GLY 151 Ca 0.23 0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.93 2f3s n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2f3s s LEU 152 N -6.17 4.36 -1.36 0.99 1.43 -0.28 -4.66 118.68 112.98 2f3s s LEU 152 Ca 0.08 1.12 -0.16 0.00 -1.03 0.00 0.00 54.13 54.14 2f3s s LEU 152 Cb -0.04 -3.24 0.06 0.00 0.03 0.00 0.00 46.19 43.00 2f3s s LEU 152 CO 0.10 0.12 1.93 0.00 0.23 0.00 0.00 176.35 178.72 2f3s n ALA 153 N 0.90 4.41 -2.64 4.21 0.00 -1.26 -4.66 120.51 121.48 2f3s n ALA 153 Ca -0.06 -3.89 -0.31 0.00 0.00 0.00 0.00 53.44 49.18 2f3s n ALA 153 Cb 0.52 -3.54 -0.09 0.00 0.00 0.00 0.00 19.45 16.33 2f3s n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2f3s s ALA 154 N 3.61 3.14 -0.06 0.00 0.00 -1.26 -1.33 121.76 125.86 2f3s s ALA 154 Ca 0.50 -1.09 0.02 0.00 0.00 0.00 0.00 51.96 51.39 2f3s s ALA 154 Cb 0.08 -1.14 0.02 0.00 0.00 0.00 0.00 23.12 22.08 2f3s s ALA 154 CO 0.01 0.66 -0.08 0.71 0.00 0.00 0.00 175.76 177.05 2f3s s TYR 155 N -1.16 1.11 -0.13 0.00 2.02 0.24 -4.03 117.35 115.40 2f3s s TYR 155 Ca 0.21 -0.38 -0.15 0.00 -0.37 0.00 0.00 57.07 56.38 2f3s s TYR 155 Cb -0.11 -0.88 -0.05 0.00 -0.40 0.00 0.00 41.96 40.52 2f3s s TYR 155 CO 0.13 -0.24 0.35 0.20 -1.57 0.00 0.00 175.55 174.41 2f3s s GLY 156 N 0.83 2.28 -0.11 0.71 0.00 -0.89 -1.10 107.32 109.04 2f3s s GLY 156 Ca -0.12 -0.37 0.02 0.00 0.00 0.00 0.00 44.72 44.25 2f3s s GLY 156 CO 0.02 0.48 -0.17 -0.19 0.00 0.00 0.00 173.10 173.23 2f3s s TYR 157 N 0.33 2.14 0.00 1.90 2.02 -0.57 0.06 117.35 123.23 2f3s s TYR 157 Ca 0.20 -1.00 0.00 0.00 -0.37 0.00 0.00 57.07 55.90 2f3s s TYR 157 Cb -0.14 -1.51 0.00 0.00 -0.40 0.00 0.00 41.96 39.91 2f3s s TYR 157 CO 0.06 -0.49 0.00 0.41 -1.57 0.00 0.00 175.55 173.97 2f3s n GLY 158 N 4.08 3.77 3.37 0.71 0.00 -0.86 -2.09 105.19 114.18 2f3s n GLY 158 Ca -0.19 -0.77 -0.32 0.00 0.00 0.00 0.00 46.02 44.73 2f3s n GLY 158 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2f3s s ILE 159 N -1.38 2.54 -1.00 -0.61 1.01 -1.26 -1.37 121.20 119.12 2f3s s ILE 159 Ca 0.00 -0.91 -0.18 0.00 0.00 0.00 0.00 60.65 59.56 2f3s s ILE 159 Cb 0.00 -1.95 0.13 0.00 0.01 0.00 0.00 42.46 40.65 2f3s s ILE 159 CO 0.00 0.58 1.22 -0.60 0.00 0.00 0.00 174.94 176.14 2f3s s ARG 160 N -0.50 3.71 0.26 2.79 3.52 -0.11 -4.76 118.95 123.86 2f3s s ARG 160 Ca 0.06 -1.90 -0.30 0.00 -0.13 0.00 0.00 55.73 53.47 2f3s s ARG 160 Cb -0.11 -4.99 -0.09 0.00 -1.56 0.00 0.00 34.95 28.19 2f3s s ARG 160 CO 0.01 -1.81 1.29 0.71 -0.81 0.00 0.00 175.30 174.69 2f3s s TYR 161 N 2.63 3.21 0.22 5.12 2.02 -1.26 -4.77 117.35 124.52 2f3s s TYR 161 Ca 0.36 1.34 0.01 0.00 -0.37 0.00 0.00 57.07 58.42 2f3s s TYR 161 Cb -0.04 -3.60 0.19 0.00 -0.40 0.00 0.00 41.96 38.11 2f3s s TYR 161 CO -0.07 -1.74 1.53 1.49 -1.57 0.00 0.00 175.55 175.19 2f3s h GLU 162 N 4.43 0.36 -4.69 -0.62 4.81 -0.87 -3.41 114.58 114.58 2f3s h GLU 162 Ca -0.47 -0.24 -0.60 0.00 -0.13 0.00 0.00 59.36 57.93 2f3s h GLU 162 Cb 1.22 0.03 -0.35 0.00 0.63 0.00 0.00 28.75 30.28 2f3s h GLU 162 CO 0.72 0.84 -0.83 -0.06 -0.73 0.00 0.00 179.01 178.95 2f3s s PHE 163 N -3.83 2.10 0.00 0.92 0.40 -0.06 -4.36 117.98 113.15 2f3s s PHE 163 Ca -0.05 -1.12 0.00 0.00 -0.60 0.00 0.00 56.93 55.16 2f3s s PHE 163 Cb 0.12 -1.54 0.00 0.00 0.51 0.00 0.00 43.02 42.11 2f3s s PHE 163 CO 0.81 -0.60 0.00 0.41 0.70 0.00 0.00 175.22 176.54 2f3s n GLY 164 N 4.58 1.00 3.74 4.36 0.00 -1.22 -1.91 105.19 115.73 2f3s n GLY 164 Ca -0.18 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 2f3s n GLY 164 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2f3s s ILE 165 N 1.07 2.04 0.66 -0.61 1.10 -0.12 -4.55 121.20 120.79 2f3s s ILE 165 Ca 0.00 0.03 -0.17 0.00 -0.51 0.00 0.00 60.65 60.00 2f3s s ILE 165 Cb 0.00 -3.02 -0.02 0.00 0.15 0.00 0.00 42.46 39.58 2f3s s ILE 165 CO 0.00 0.00 1.04 2.22 -2.11 0.00 0.00 174.94 176.10 2f3s n PHE 166 N 2.68 1.01 -2.89 3.50 1.16 -1.26 -4.57 117.46 117.09 2f3s n PHE 166 Ca 0.10 0.41 -0.41 0.00 -1.87 0.00 0.00 57.45 55.69 2f3s n PHE 166 Cb 0.37 -2.14 -0.04 0.00 -1.61 0.00 0.00 39.48 36.05 2f3s n PHE 166 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 2f3s s ASN 167 N -1.45 7.24 -0.19 5.98 0.01 -0.16 -4.88 114.94 121.49 2f3s s ASN 167 Ca 0.77 1.49 -0.15 0.00 -0.71 0.00 0.00 52.86 54.26 2f3s s ASN 167 Cb -0.38 -2.50 -0.04 0.00 0.41 0.00 0.00 41.25 38.74 2f3s s ASN 167 CO 0.46 -0.10 0.37 -1.58 -1.51 0.00 0.00 177.10 174.74 2f3s s GLN 168 N 0.43 4.19 0.03 -0.60 0.74 -1.26 -1.78 119.66 121.42 2f3s s GLN 168 Ca 0.43 0.17 0.07 0.00 0.05 0.00 0.00 55.36 56.08 2f3s s GLN 168 Cb -0.20 -3.51 -0.03 0.00 1.10 0.00 0.00 33.01 30.37 2f3s s GLN 168 CO 0.24 0.03 -0.19 0.15 -0.55 0.00 0.00 175.29 174.97 2f3s s LYS 169 N 1.09 2.06 -0.29 1.67 -0.14 -0.22 -3.81 119.74 120.10 2f3s s LYS 169 Ca 0.18 -0.98 -0.06 0.00 -1.36 0.00 0.00 55.97 53.75 2f3s s LYS 169 Cb -0.14 -2.16 0.01 0.00 -1.68 0.00 0.00 37.83 33.86 2f3s s LYS 169 CO 0.07 0.54 0.05 0.42 -0.76 0.00 0.00 175.35 175.67 2f3s s ILE 170 N -0.89 3.74 -0.16 2.17 -1.09 -1.26 0.43 121.20 124.15 2f3s s ILE 170 Ca 0.14 -0.77 0.01 0.00 -2.23 0.00 0.00 60.65 57.80 2f3s s ILE 170 Cb -0.10 -2.93 0.02 0.00 -1.58 0.00 0.00 42.46 37.87 2f3s s ILE 170 CO 0.04 0.10 -0.18 0.00 -1.23 0.00 0.00 174.94 173.67 2f3s n GLY 172 N 4.58 -0.04 2.51 0.00 0.00 -1.26 -0.68 105.19 110.30 2f3s n GLY 172 Ca -0.19 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2f3s n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2f3s n GLY 173 N -0.92 1.27 3.83 -0.02 0.00 -1.26 -5.03 105.19 103.06 2f3s n GLY 173 Ca -0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 2f3s n GLY 173 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2f3s s TRP 174 N -3.49 3.32 0.13 1.61 0.52 0.14 -3.77 118.94 117.39 2f3s s TRP 174 Ca 0.00 0.15 -0.30 0.00 0.02 0.00 0.00 56.10 55.97 2f3s s TRP 174 Cb 0.00 -1.68 -0.06 0.00 -1.15 0.00 0.00 33.47 30.57 2f3s s TRP 174 CO 0.00 0.55 1.08 -1.14 0.02 0.00 0.00 176.95 177.46 2f3s s GLN 175 N -2.36 4.58 -0.01 4.98 0.74 -1.26 -0.24 119.66 126.09 2f3s s GLN 175 Ca 0.31 1.64 0.07 0.00 0.05 0.00 0.00 55.36 57.43 2f3s s GLN 175 Cb -0.12 -3.33 -0.02 0.00 1.10 0.00 0.00 33.01 30.64 2f3s s GLN 175 CO 0.23 0.03 -0.23 -1.64 -0.55 0.00 0.00 175.29 173.14 2f3s s MET 176 N 0.10 1.78 -0.09 1.67 -1.94 0.17 -4.91 119.30 116.09 2f3s s MET 176 Ca 0.51 -0.85 -0.02 0.00 -1.71 0.00 0.00 55.69 53.62 2f3s s MET 176 Cb -0.27 -1.76 -0.03 0.00 2.01 0.00 0.00 34.83 34.77 2f3s s MET 176 CO 0.32 0.48 -0.02 -1.21 -0.01 0.00 0.00 175.02 174.58 2f3s s GLU 177 N -0.66 3.02 0.02 2.03 8.01 -1.26 -1.05 118.70 128.80 2f3s s GLU 177 Ca 0.09 -0.45 0.02 0.00 0.01 0.00 0.00 54.97 54.64 2f3s s GLU 177 Cb -0.09 -2.77 -0.01 0.00 -4.31 0.00 0.00 34.13 26.95 2f3s s GLU 177 CO -0.00 0.64 -0.06 -1.83 0.01 0.00 0.00 175.26 174.01 2f3s s GLU 178 N -0.71 0.43 0.23 1.61 -1.05 -0.73 -4.98 118.70 113.50 2f3s s GLU 178 Ca 0.11 -0.43 -0.31 0.00 -0.15 0.00 0.00 54.97 54.19 2f3s s GLU 178 Cb -0.12 -0.31 -0.14 0.00 -0.44 0.00 0.00 34.13 33.13 2f3s s GLU 178 CO 0.02 0.07 1.36 0.00 0.95 0.00 0.00 175.26 177.66 2f3s n ALA 179 N 2.29 0.80 -3.10 -0.84 0.00 -1.26 -0.99 120.51 117.41 2f3s n ALA 179 Ca -0.17 0.42 -0.44 0.00 0.00 0.00 0.00 53.44 53.24 2f3s n ALA 179 Cb 0.57 -2.23 -0.00 0.00 0.00 0.00 0.00 19.45 17.78 2f3s n ALA 179 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2f3s s ASP 180 N 0.23 7.14 -1.55 0.00 3.68 -1.26 -4.67 116.67 120.23 2f3s s ASP 180 Ca 0.69 -3.17 -0.11 0.00 2.13 0.00 0.00 52.55 52.08 2f3s s ASP 180 Cb -0.68 -2.33 -0.03 0.00 -1.45 0.00 0.00 42.92 38.43 2f3s s ASP 180 CO 0.50 -0.59 2.70 -0.67 0.13 0.00 0.00 175.17 177.24 2f3s n ASP 181 N 4.56 7.27 0.19 -0.34 2.03 -1.26 -3.46 116.55 125.55 2f3s n ASP 181 Ca 0.31 -2.70 0.14 0.00 0.52 0.00 0.00 54.79 53.06 2f3s n ASP 181 Cb 0.42 -1.57 0.68 0.00 -0.72 0.00 0.00 41.12 39.92 2f3s n ASP 181 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 2f3s h TRP 182 N 5.27 0.00 -0.02 -0.67 5.08 -1.91 -2.56 115.95 121.14 2f3s h TRP 182 Ca 0.77 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.74 2f3s h TRP 182 Cb 0.39 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.55 2f3s h TRP 182 CO 1.73 0.00 -0.09 1.28 -1.28 0.00 0.00 178.44 180.09 2f3s n LEU 183 N -2.47 2.34 -0.33 0.11 4.77 -1.26 -4.62 117.00 115.54 2f3s n LEU 183 Ca -0.00 -0.78 -0.01 0.00 -0.03 0.00 0.00 56.01 55.18 2f3s n LEU 183 Cb 0.12 -0.01 0.05 0.00 -2.33 0.00 0.00 43.42 41.25 2f3s n LEU 183 CO 0.16 0.40 0.61 -0.09 -1.33 0.00 0.00 177.39 177.14 2f3s h ARG 184 N 3.53 -0.04 -0.30 3.23 2.43 -1.84 0.14 114.38 121.54 2f3s h ARG 184 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2f3s h ARG 184 Cb 0.80 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 2f3s h ARG 184 CO 0.00 -0.03 0.00 0.66 -1.51 0.00 0.00 179.97 179.09 2f3s n TYR 185 N -5.48 0.39 0.00 2.20 4.01 -1.26 -5.04 117.16 111.97 2f3s n TYR 185 Ca 0.09 -0.19 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 2f3s n TYR 185 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.43 2f3s n TYR 185 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2f3s n GLY 186 N 1.21 0.74 2.89 2.72 0.00 0.50 -4.96 105.19 108.29 2f3s n GLY 186 Ca 0.16 -1.77 -0.30 0.00 0.00 0.00 0.00 46.02 44.10 2f3s n GLY 186 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2f3s s ASN 187 N -1.23 4.21 0.51 1.61 2.47 -1.26 -4.87 114.94 116.38 2f3s s ASN 187 Ca 0.00 -1.66 0.33 0.00 0.42 0.00 0.00 52.86 51.95 2f3s s ASN 187 Cb 0.00 -1.21 1.50 0.00 -1.45 0.00 0.00 41.25 40.09 2f3s s ASN 187 CO 0.00 -0.35 1.99 1.55 -3.72 0.00 0.00 177.10 176.58 2f3s h PRO 188 N 7.89 0.00 0.02 0.43 0.13 -1.99 -3.21 132.00 135.27 2f3s h PRO 188 Ca -0.12 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.80 2f3s h PRO 188 Cb 1.03 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.14 2f3s h PRO 188 CO 0.47 0.00 -1.01 -1.49 -0.23 0.00 0.00 178.00 175.73 2f3s h TRP 189 N 0.00 0.07 -3.86 1.56 4.06 -1.95 -3.47 115.95 112.36 2f3s h TRP 189 Ca 0.00 -0.05 -0.49 0.00 2.06 0.00 0.00 58.89 60.41 2f3s h TRP 189 Cb 0.35 -0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.52 2f3s h TRP 189 CO 0.00 1.02 0.20 -1.83 -3.56 0.00 0.00 178.44 174.27 2f3s s GLU 190 N -2.74 3.77 -0.17 0.49 -1.05 -1.21 -4.34 118.70 113.44 2f3s s GLU 190 Ca 0.00 0.57 -0.01 0.00 -0.15 0.00 0.00 54.97 55.38 2f3s s GLU 190 Cb 0.10 -2.30 0.05 0.00 -0.44 0.00 0.00 34.13 31.53 2f3s s GLU 190 CO 0.83 -0.16 -0.01 0.21 0.95 0.00 0.00 175.26 177.08 2f3s s LYS 191 N -4.13 1.02 0.36 -4.83 2.47 0.44 -4.94 119.74 110.13 2f3s s LYS 191 Ca 0.53 -0.43 -0.28 0.00 -1.56 0.00 0.00 55.97 54.23 2f3s s LYS 191 Cb -0.10 -1.95 -0.10 0.00 -1.46 0.00 0.00 37.83 34.22 2f3s s LYS 191 CO 0.35 -0.51 1.30 0.00 0.16 0.00 0.00 175.35 176.65 2f3s s ALA 192 N 1.75 3.40 -0.49 3.13 0.00 -1.26 -0.97 121.76 127.31 2f3s s ALA 192 Ca 0.00 1.24 0.08 0.00 0.00 0.00 0.00 51.96 53.28 2f3s s ALA 192 Cb -0.16 -3.48 0.35 0.00 0.00 0.00 0.00 23.12 19.83 2f3s s ALA 192 CO -0.07 -0.71 0.87 0.54 0.00 0.00 0.00 175.76 176.39 2f3s n ARG 193 N 0.51 2.38 0.16 0.00 5.12 0.25 -4.91 116.66 120.18 2f3s n ARG 193 Ca 0.02 -4.29 0.19 0.00 -1.93 0.00 0.00 57.85 51.83 2f3s n ARG 193 Cb 0.43 -2.03 0.74 0.00 -1.16 0.00 0.00 32.46 30.44 2f3s n ARG 193 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 2f3s h PRO 194 N 2.98 0.00 0.00 5.56 0.13 -1.94 0.32 132.00 139.05 2f3s h PRO 194 Ca 0.12 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2f3s h PRO 194 Cb 0.69 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.82 2f3s h PRO 194 CO 0.70 0.00 -0.02 1.05 -0.23 0.00 0.00 178.00 179.50 2f3s h GLU 195 N 0.00 0.00 -0.50 0.86 9.09 -1.94 -2.51 114.58 119.57 2f3s h GLU 195 Ca 0.14 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.48 2f3s h GLU 195 Cb 1.03 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 28.08 2f3s h GLU 195 CO -0.00 0.02 0.07 1.19 0.05 0.00 0.00 179.01 180.34 2f3s n PHE 196 N -3.15 1.75 -1.88 2.06 3.72 0.10 -5.00 117.46 115.06 2f3s n PHE 196 Ca -0.01 -0.97 -0.41 0.00 -0.05 0.00 0.00 57.45 56.01 2f3s n PHE 196 Cb 0.21 -0.50 -0.01 0.00 -0.94 0.00 0.00 39.48 38.24 2f3s n PHE 196 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2f3s s THR 197 N -2.89 2.27 0.09 4.37 2.01 -0.95 -4.67 115.64 115.87 2f3s s THR 197 Ca 0.50 0.25 0.07 0.00 0.31 0.00 0.00 61.69 62.82 2f3s s THR 197 Cb 0.40 -3.16 -0.03 0.00 0.01 0.00 0.00 72.50 69.72 2f3s s THR 197 CO 0.12 0.05 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.15 2f3s s LEU 198 N -1.16 2.29 0.15 4.42 1.02 -0.19 -4.92 118.68 120.28 2f3s s LEU 198 Ca 0.57 -0.66 -0.19 0.00 0.02 0.00 0.00 54.13 53.87 2f3s s LEU 198 Cb -0.45 -0.78 -0.07 0.00 0.02 0.00 0.00 46.19 44.91 2f3s s LEU 198 CO 0.53 0.02 0.64 -2.16 0.02 0.00 0.00 176.35 175.40 2f3s s PRO 199 N -1.82 4.22 -0.05 1.29 0.04 -1.26 0.82 135.00 138.24 2f3s s PRO 199 Ca 0.04 0.78 0.05 0.00 0.04 0.00 0.00 61.00 61.91 2f3s s PRO 199 Cb -0.10 -3.06 -0.00 0.00 0.04 0.00 0.00 34.50 31.38 2f3s s PRO 199 CO 0.04 0.52 -0.19 0.08 0.04 0.00 0.00 177.00 177.48 2f3s s VAL 200 N -1.33 1.56 -0.02 -0.36 1.01 0.11 -4.86 120.40 116.52 2f3s s VAL 200 Ca 0.36 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.54 2f3s s VAL 200 Cb -0.18 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 2f3s s VAL 200 CO 0.21 0.45 0.12 -1.00 0.00 0.00 0.00 175.10 174.87 2f3s s HIS 201 N -0.00 3.39 0.05 5.22 3.76 -1.26 -0.97 115.29 125.47 2f3s s HIS 201 Ca -0.04 0.28 0.00 0.00 -0.15 0.00 0.00 55.06 55.15 2f3s s HIS 201 Cb -0.12 -1.78 -0.03 0.00 1.11 0.00 0.00 32.58 31.75 2f3s s HIS 201 CO 0.03 0.59 -0.04 -0.06 -0.85 0.00 0.00 174.74 174.41 2f3s s PHE 202 N -1.22 0.53 0.00 1.40 0.40 -0.23 -4.96 117.98 113.90 2f3s s PHE 202 Ca 0.23 -0.83 0.00 0.00 -0.60 0.00 0.00 56.93 55.73 2f3s s PHE 202 Cb -0.12 -0.36 0.00 0.00 0.51 0.00 0.00 43.02 43.05 2f3s s PHE 202 CO 0.14 -0.26 0.00 0.66 0.70 0.00 0.00 175.22 176.47 2f3s n TYR 203 N 0.65 0.00 -4.25 0.36 4.01 0.21 -0.69 117.16 117.45 2f3s n TYR 203 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 2f3s n TYR 203 Cb 0.59 0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.64 2f3s n TYR 203 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2f3s n GLY 204 N 0.00 -0.95 3.45 2.72 0.00 -1.20 -4.60 105.19 104.61 2f3s n GLY 204 Ca 0.00 -1.20 -0.10 0.00 0.00 0.00 0.00 46.02 44.73 2f3s n GLY 204 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2f3s s ARG 205 N 0.00 1.29 -0.18 1.61 1.70 0.03 -4.86 118.95 118.54 2f3s s ARG 205 Ca 0.00 -1.00 -0.10 0.00 -0.47 0.00 0.00 55.73 54.16 2f3s s ARG 205 Cb 0.00 0.46 -0.05 0.00 -0.57 0.00 0.00 34.95 34.79 2f3s s ARG 205 CO 0.00 -0.52 0.15 0.08 -1.08 0.00 0.00 175.30 173.93 2f3s s VAL 206 N -3.91 5.41 -0.15 4.99 1.01 -1.26 -1.13 120.40 125.36 2f3s s VAL 206 Ca 0.13 0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.34 2f3s s VAL 206 Cb 0.01 -3.48 -0.00 0.00 0.00 0.00 0.00 36.38 32.91 2f3s s VAL 206 CO -0.01 0.46 -0.16 -0.70 0.00 0.00 0.00 175.10 174.68 2f3s s GLU 207 N 0.16 3.19 -0.35 2.72 2.12 0.13 -4.94 118.70 121.72 2f3s s GLU 207 Ca 0.10 -0.77 -0.15 0.00 0.36 0.00 0.00 54.97 54.51 2f3s s GLU 207 Cb -0.11 -2.59 -0.01 0.00 0.26 0.00 0.00 34.13 31.68 2f3s s GLU 207 CO -0.00 0.02 0.34 -1.01 -0.54 0.00 0.00 175.26 174.06 2f3s s HIS 208 N 0.79 3.21 0.38 5.30 3.76 -1.26 0.57 115.29 128.04 2f3s s HIS 208 Ca -0.06 -0.12 0.05 0.00 -0.15 0.00 0.00 55.06 54.78 2f3s s HIS 208 Cb -0.15 -2.64 0.05 0.00 1.11 0.00 0.00 32.58 30.94 2f3s s HIS 208 CO 0.00 -0.44 0.38 0.25 -0.85 0.00 0.00 174.74 174.08 2f3s n THR 209 N 5.22 0.00 -0.29 1.30 -2.24 -0.87 -5.01 114.28 112.40 2f3s n THR 209 Ca -0.10 -1.40 0.06 0.00 -2.27 0.00 0.00 64.05 60.34 2f3s n THR 209 Cb 0.49 -0.38 0.20 0.00 -2.10 0.00 0.00 70.33 68.55 2f3s n THR 209 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2f3s h SER 210 N 0.29 0.51 -3.76 3.42 0.02 -2.02 -3.33 113.55 108.68 2f3s h SER 210 Ca -0.21 0.09 -0.63 0.00 -0.84 0.00 0.00 61.79 60.19 2f3s h SER 210 Cb 0.85 0.01 -0.40 0.00 0.14 0.00 0.00 62.40 62.99 2f3s h SER 210 CO 0.32 0.23 -0.70 -1.58 -1.14 0.00 0.00 176.83 173.96 2f3s s GLN 211 N -5.99 1.45 0.04 3.45 2.00 -1.26 -5.07 119.66 114.28 2f3s s GLN 211 Ca -0.12 -1.98 0.00 0.00 -2.00 0.00 0.00 55.36 51.26 2f3s s GLN 211 Cb 0.21 -2.87 0.00 0.00 0.80 0.00 0.00 33.01 31.15 2f3s s GLN 211 CO 0.78 -1.04 0.00 0.41 -0.50 0.00 0.00 175.29 174.94 2f3s n GLY 212 N 3.90 -2.34 3.89 2.59 0.00 -1.25 -4.97 105.19 107.00 2f3s n GLY 212 Ca 0.04 -1.45 -0.29 0.00 0.00 0.00 0.00 46.02 44.32 2f3s n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f3s s ALA 213 N -2.60 3.41 -0.02 4.61 0.00 -1.26 -2.05 121.76 123.85 2f3s s ALA 213 Ca 0.00 -0.35 0.02 0.00 0.00 0.00 0.00 51.96 51.64 2f3s s ALA 213 Cb 0.00 -2.60 -0.00 0.00 0.00 0.00 0.00 23.12 20.52 2f3s s ALA 213 CO 0.00 -0.05 -0.08 0.15 0.00 0.00 0.00 175.76 175.77 2f3s s LYS 214 N -4.03 0.78 -0.41 0.00 1.02 0.19 -4.89 119.74 112.41 2f3s s LYS 214 Ca 0.49 -0.28 -0.16 0.00 0.02 0.00 0.00 55.97 56.04 2f3s s LYS 214 Cb -0.10 -0.75 0.02 0.00 -0.52 0.00 0.00 37.83 36.48 2f3s s LYS 214 CO 0.35 0.13 0.34 -0.46 -0.92 0.00 0.00 175.35 174.78 2f3s s TRP 215 N 0.04 3.22 0.42 3.18 -0.00 -1.26 0.17 118.94 124.71 2f3s s TRP 215 Ca -0.00 -0.54 0.04 0.00 -0.00 0.00 0.00 56.10 55.59 2f3s s TRP 215 Cb -0.06 -2.68 -0.04 0.00 -0.00 0.00 0.00 33.47 30.69 2f3s s TRP 215 CO -0.00 -0.62 0.05 0.14 -0.00 0.00 0.00 176.95 176.52 2f3s s VAL 216 N 1.80 1.17 -1.48 5.86 -7.23 -0.28 -4.80 120.40 115.43 2f3s s VAL 216 Ca 0.07 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.12 2f3s s VAL 216 Cb -0.19 -2.51 0.06 0.00 0.56 0.00 0.00 36.38 34.30 2f3s s VAL 216 CO 0.11 0.00 0.97 0.47 -0.31 0.00 0.00 175.10 176.34 2f3s n ASP 217 N -1.09 -5.25 -4.92 4.85 8.00 -1.26 -0.79 116.55 116.08 2f3s n ASP 217 Ca -0.09 -0.66 -0.26 0.00 0.71 0.00 0.00 54.79 54.49 2f3s n ASP 217 Cb 0.66 -4.18 -0.00 0.00 -0.02 0.00 0.00 41.12 37.58 2f3s n ASP 217 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2f3s s THR 218 N -3.27 4.85 -0.12 -3.53 -4.23 -1.26 -3.27 115.64 104.80 2f3s s THR 218 Ca 0.61 -0.12 -0.11 0.00 -1.18 0.00 0.00 61.69 60.88 2f3s s THR 218 Cb -0.29 -3.81 -0.05 0.00 1.34 0.00 0.00 72.50 69.69 2f3s s THR 218 CO 0.75 -0.68 0.25 -1.10 -0.54 0.00 0.00 174.62 173.30 2f3s s GLN 219 N -4.58 3.90 -0.12 3.99 -0.21 0.14 -4.90 119.66 117.89 2f3s s GLN 219 Ca 0.45 0.05 -0.04 0.00 0.02 0.00 0.00 55.36 55.84 2f3s s GLN 219 Cb -0.10 -3.30 -0.04 0.00 1.00 0.00 0.00 33.01 30.57 2f3s s GLN 219 CO 0.41 0.53 0.04 0.08 -2.12 0.00 0.00 175.29 174.22 2f3s s VAL 220 N -0.38 4.62 -0.04 1.09 1.01 -1.26 -1.07 120.40 124.37 2f3s s VAL 220 Ca 0.16 -0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.06 2f3s s VAL 220 Cb -0.13 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.26 2f3s s VAL 220 CO 0.05 0.57 -0.13 -0.69 0.00 0.00 0.00 175.10 174.91 2f3s s VAL 221 N -0.58 1.12 0.20 2.92 1.01 -0.15 -4.51 120.40 120.41 2f3s s VAL 221 Ca 0.10 -0.52 -0.17 0.00 0.00 0.00 0.00 61.98 61.39 2f3s s VAL 221 Cb -0.12 -0.99 -0.08 0.00 0.00 0.00 0.00 36.38 35.19 2f3s s VAL 221 CO 0.02 0.34 0.65 -0.76 0.00 0.00 0.00 175.10 175.35 2f3s s LEU 222 N 0.30 4.33 -0.29 3.92 1.43 0.12 0.04 118.68 128.53 2f3s s LEU 222 Ca -0.07 1.27 -0.03 0.00 -1.03 0.00 0.00 54.13 54.27 2f3s s LEU 222 Cb -0.12 -3.48 0.04 0.00 0.03 0.00 0.00 46.19 42.66 2f3s s LEU 222 CO 0.02 0.05 0.00 0.00 0.23 0.00 0.00 176.35 176.65 2f3s s ALA 223 N -1.52 2.84 -0.25 4.21 0.00 0.24 -0.78 121.76 126.50 2f3s s ALA 223 Ca 0.41 -1.65 -0.09 0.00 0.00 0.00 0.00 51.96 50.63 2f3s s ALA 223 Cb -0.16 -1.93 -0.04 0.00 0.00 0.00 0.00 23.12 20.99 2f3s s ALA 223 CO 0.20 -1.13 0.12 1.41 0.00 0.00 0.00 175.76 176.37 2f3s s MET 224 N 1.31 3.88 0.24 0.00 1.75 0.26 -1.02 119.30 125.72 2f3s s MET 224 Ca -0.03 -0.36 -0.18 0.00 -1.25 0.00 0.00 55.69 53.87 2f3s s MET 224 Cb -0.19 -3.45 -0.08 0.00 2.84 0.00 0.00 34.83 33.95 2f3s s MET 224 CO -0.01 -0.06 0.71 -1.25 -0.65 0.00 0.00 175.02 173.76 2f3s s PRO 225 N 1.34 4.18 -0.12 4.11 0.04 -1.26 -0.30 135.00 142.99 2f3s s PRO 225 Ca 0.06 0.80 0.02 0.00 0.04 0.00 0.00 61.00 61.91 2f3s s PRO 225 Cb -0.15 -2.80 0.02 0.00 0.04 0.00 0.00 34.50 31.61 2f3s s PRO 225 CO 0.06 0.35 -0.16 0.71 0.04 0.00 0.00 177.00 178.01 2f3s s TYR 226 N -1.61 2.05 -0.14 0.56 1.51 -0.05 -0.58 117.35 119.09 2f3s s TYR 226 Ca 0.45 -1.00 -0.06 0.00 -1.01 0.00 0.00 57.07 55.45 2f3s s TYR 226 Cb -0.15 -1.47 -0.04 0.00 -0.11 0.00 0.00 41.96 40.18 2f3s s TYR 226 CO 0.20 -0.51 0.09 -0.51 -1.11 0.00 0.00 175.55 173.71 2f3s s ASP 227 N 1.04 5.93 -0.07 2.29 -0.00 -0.14 -1.19 116.67 124.54 2f3s s ASP 227 Ca -0.05 0.28 0.04 0.00 -0.00 0.00 0.00 52.55 52.82 2f3s s ASP 227 Cb -0.15 -1.91 0.00 0.00 -0.00 0.00 0.00 42.92 40.87 2f3s s ASP 227 CO -0.03 0.32 -0.19 -0.89 -0.00 0.00 0.00 175.17 174.39 2f3s s THR 228 N -0.52 1.60 0.37 -1.27 2.01 -0.28 -0.42 115.64 117.13 2f3s s THR 228 Ca 0.11 -0.77 -0.26 0.00 0.31 0.00 0.00 61.69 61.08 2f3s s THR 228 Cb -0.12 -1.39 -0.09 0.00 0.01 0.00 0.00 72.50 70.91 2f3s s THR 228 CO 0.02 0.46 1.12 -2.16 -0.69 0.00 0.00 174.62 173.37 2f3s s PRO 229 N 0.30 4.23 -0.40 4.92 0.04 -1.26 -1.22 135.00 141.61 2f3s s PRO 229 Ca -0.12 1.74 0.02 0.00 0.04 0.00 0.00 61.00 62.68 2f3s s PRO 229 Cb -0.15 -2.76 0.11 0.00 0.04 0.00 0.00 34.50 31.74 2f3s s PRO 229 CO 0.05 -0.14 0.15 0.08 0.04 0.00 0.00 177.00 177.18 2f3s s VAL 230 N -1.42 1.81 0.13 -0.36 1.01 0.69 -4.89 120.40 117.37 2f3s s VAL 230 Ca 0.54 -2.39 -0.30 0.00 0.00 0.00 0.00 61.98 59.83 2f3s s VAL 230 Cb -0.28 -2.30 -0.07 0.00 0.00 0.00 0.00 36.38 33.73 2f3s s VAL 230 CO 0.36 -0.73 1.08 -2.16 0.00 0.00 0.00 175.10 173.64 2f3s s PRO 231 N 0.68 4.59 0.78 2.72 0.04 -1.26 -0.66 135.00 141.88 2f3s s PRO 231 Ca 0.14 1.64 -0.12 0.00 0.04 0.00 0.00 61.00 62.70 2f3s s PRO 231 Cb -0.21 -3.32 0.06 0.00 0.04 0.00 0.00 34.50 31.06 2f3s s PRO 231 CO -0.08 0.04 1.13 0.20 0.04 0.00 0.00 177.00 178.34 2f3s s GLY 232 N 0.18 1.61 -0.52 0.56 0.00 0.11 -4.78 107.32 104.49 2f3s s GLY 232 Ca 0.50 -0.47 -0.28 0.00 0.00 0.00 0.00 44.72 44.47 2f3s s GLY 232 CO 0.32 -0.02 1.35 -0.47 0.00 0.00 0.00 173.10 174.28 2f3s s TYR 233 N -3.41 2.42 -0.83 1.90 6.14 -1.26 -4.19 117.35 118.12 2f3s s TYR 233 Ca 0.61 0.55 -0.07 0.00 0.64 0.00 0.00 57.07 58.79 2f3s s TYR 233 Cb -0.12 -4.40 0.07 0.00 0.42 0.00 0.00 41.96 37.93 2f3s s TYR 233 CO 0.51 -1.84 0.24 0.54 0.64 0.00 0.00 175.55 175.64 2f3s n ARG 234 N 8.38 -2.53 -0.03 4.97 3.00 0.10 -4.77 116.66 125.78 2f3s n ARG 234 Ca 0.13 0.22 0.01 0.00 -0.01 0.00 0.00 57.85 58.20 2f3s n ARG 234 Cb 0.49 -4.80 0.03 0.00 0.00 0.00 0.00 32.46 28.18 2f3s n ARG 234 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 2f3s n ASN 235 N -1.93 2.03 -0.83 0.55 2.04 -1.26 -4.95 115.26 110.92 2f3s n ASN 235 Ca 0.00 -1.83 -0.11 0.00 -0.44 0.00 0.00 54.58 52.20 2f3s n ASN 235 Cb 0.51 -0.04 -0.05 0.00 -2.53 0.00 0.00 39.78 37.67 2f3s n ASN 235 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 2f3s n ASN 236 N -0.19 -5.25 -4.77 0.53 3.02 -1.26 -1.18 115.26 106.15 2f3s n ASN 236 Ca 0.02 0.27 -0.37 0.00 -0.03 0.00 0.00 54.58 54.47 2f3s n ASN 236 Cb 0.25 -3.70 -0.06 0.00 -0.61 0.00 0.00 39.78 35.66 2f3s n ASN 236 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2f3s s VAL 237 N -2.08 5.20 -0.24 2.41 1.01 -1.26 -4.76 120.40 120.67 2f3s s VAL 237 Ca 0.00 0.72 -0.02 0.00 0.00 0.00 0.00 61.98 62.68 2f3s s VAL 237 Cb 0.00 -3.68 0.08 0.00 0.00 0.00 0.00 36.38 32.77 2f3s s VAL 237 CO 0.00 0.46 0.06 -0.69 0.00 0.00 0.00 175.10 174.92 2f3s s VAL 238 N -0.14 0.67 0.77 2.92 1.01 -1.26 0.08 120.40 124.45 2f3s s VAL 238 Ca 0.21 -0.91 -0.05 0.00 0.00 0.00 0.00 61.98 61.23 2f3s s VAL 238 Cb -0.15 -1.30 0.16 0.00 0.00 0.00 0.00 36.38 35.09 2f3s s VAL 238 CO 0.09 -0.41 1.05 0.59 0.00 0.00 0.00 175.10 176.42 2f3s n ASN 239 N 4.97 0.95 -4.28 3.32 3.02 0.16 -4.65 115.26 118.75 2f3s n ASN 239 Ca -0.07 -1.91 -0.29 0.00 -0.03 0.00 0.00 54.58 52.29 2f3s n ASN 239 Cb 0.45 -0.73 -0.15 0.00 -0.61 0.00 0.00 39.78 38.74 2f3s n ASN 239 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2f3s s THR 240 N -3.21 1.87 -0.23 3.41 2.01 -1.26 -0.22 115.64 118.01 2f3s s THR 240 Ca 0.66 -1.11 -0.01 0.00 0.31 0.00 0.00 61.69 61.55 2f3s s THR 240 Cb -0.03 -1.57 0.03 0.00 0.01 0.00 0.00 72.50 70.93 2f3s s THR 240 CO 0.45 0.43 -0.10 -0.32 -0.69 0.00 0.00 174.62 174.39 2f3s s MET 241 N -0.80 2.83 -0.25 4.92 1.75 -0.36 -2.10 119.30 125.29 2f3s s MET 241 Ca 0.09 -0.97 -0.07 0.00 -1.25 0.00 0.00 55.69 53.50 2f3s s MET 241 Cb -0.09 -2.88 -0.02 0.00 2.84 0.00 0.00 34.83 34.68 2f3s s MET 241 CO 0.00 -0.37 0.06 0.50 -0.65 0.00 0.00 175.02 174.56 2f3s s ARG 242 N 1.30 3.53 -0.14 4.11 3.52 0.11 -1.13 118.95 130.25 2f3s s ARG 242 Ca 0.00 -0.56 -0.01 0.00 -0.13 0.00 0.00 55.73 55.04 2f3s s ARG 242 Cb -0.16 -3.29 -0.02 0.00 -1.56 0.00 0.00 34.95 29.92 2f3s s ARG 242 CO -0.06 -0.23 -0.11 -0.51 -0.81 0.00 0.00 175.30 173.58 2f3s s LEU 243 N 1.58 2.85 0.13 -0.88 1.43 -0.33 -2.02 118.68 121.44 2f3s s LEU 243 Ca 0.06 -0.28 -0.19 0.00 -1.03 0.00 0.00 54.13 52.69 2f3s s LEU 243 Cb -0.15 -1.66 -0.07 0.00 0.03 0.00 0.00 46.19 44.34 2f3s s LEU 243 CO 0.02 0.16 0.61 0.26 0.23 0.00 0.00 176.35 177.64 2f3s s TRP 244 N 0.37 3.74 -0.04 0.29 0.52 -0.47 -0.87 118.94 122.47 2f3s s TRP 244 Ca -0.09 1.27 0.07 0.00 0.02 0.00 0.00 56.10 57.37 2f3s s TRP 244 Cb -0.15 -2.51 -0.01 0.00 -1.15 0.00 0.00 33.47 29.64 2f3s s TRP 244 CO 0.05 0.50 -0.25 0.45 0.02 0.00 0.00 176.95 177.72 2f3s s SER 245 N -1.37 2.94 0.05 2.95 0.15 0.59 -0.93 113.70 118.08 2f3s s SER 245 Ca 0.34 -0.47 -0.27 0.00 0.70 0.00 0.00 55.95 56.25 2f3s s SER 245 Cb -0.18 -0.57 -0.05 0.00 -1.71 0.00 0.00 66.02 63.50 2f3s s SER 245 CO 0.20 0.27 0.84 0.00 1.20 0.00 0.00 173.24 175.75 2f3s s ALA 246 N -0.36 3.30 -0.00 5.45 0.00 -1.26 -0.58 121.76 128.31 2f3s s ALA 246 Ca 0.03 0.39 0.01 0.00 0.00 0.00 0.00 51.96 52.39 2f3s s ALA 246 Cb -0.12 -3.12 -0.00 0.00 0.00 0.00 0.00 23.12 19.89 2f3s s ALA 246 CO 0.01 -0.01 -0.03 0.15 0.00 0.00 0.00 175.76 175.88 2f3s s LYS 247 N 0.16 0.28 0.29 0.00 -0.14 0.04 -4.62 119.74 115.76 2f3s s LYS 247 Ca 0.42 -0.12 -0.20 0.00 -1.36 0.00 0.00 55.97 54.71 2f3s s LYS 247 Cb -0.21 -0.28 -0.09 0.00 -1.68 0.00 0.00 37.83 35.57 2f3s s LYS 247 CO 0.25 0.07 0.81 0.00 -0.76 0.00 0.00 175.35 175.72 2f3s s ALA 248 N -0.06 3.30 0.70 5.17 0.00 -1.26 0.12 121.76 129.74 2f3s s ALA 248 Ca 0.01 0.25 -0.14 0.00 0.00 0.00 0.00 51.96 52.08 2f3s s ALA 248 Cb -0.02 -2.93 0.02 0.00 0.00 0.00 0.00 23.12 20.20 2f3s s ALA 248 CO -0.00 0.27 1.11 -1.25 0.00 0.00 0.00 175.76 175.89 2f3s s PRO 249 N -2.38 2.54 0.57 0.00 0.04 -1.26 -4.86 135.00 129.65 2f3s s PRO 249 Ca 0.50 1.37 0.36 0.00 0.04 0.00 0.00 61.00 63.26 2f3s s PRO 249 Cb -0.15 -1.92 1.58 0.00 0.04 0.00 0.00 34.50 34.05 2f3s s PRO 249 CO 0.20 -1.45 2.06 -0.91 0.04 0.00 0.00 177.00 176.94 2f3s h ASN 250 N -0.37 0.00 -0.49 6.66 2.35 -2.00 -1.81 115.58 119.92 2f3s h ASN 250 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 2f3s h ASN 250 Cb 1.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.62 2f3s h ASN 250 CO 0.53 0.00 0.00 -0.90 -1.65 0.00 0.00 177.43 175.41 2f3s n ASP 251 N -3.09 2.70 -4.67 5.81 5.75 -1.26 -4.86 116.55 116.93 2f3s n ASP 251 Ca -0.00 -1.99 -0.48 0.00 -0.01 0.00 0.00 54.79 52.31 2f3s n ASP 251 Cb 0.26 -0.33 -0.05 0.00 -1.03 0.00 0.00 41.12 39.98 2f3s n ASP 251 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 2f3s n PHE 252 N 0.98 2.25 -0.98 2.11 7.35 -0.68 -0.45 117.46 128.04 2f3s n PHE 252 Ca 0.17 0.16 -0.02 0.00 -0.76 0.00 0.00 57.45 57.00 2f3s n PHE 252 Cb 0.43 -2.59 -0.01 0.00 0.35 0.00 0.00 39.48 37.66 2f3s n PHE 252 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2f3s n ASN 253 N 5.06 -5.37 -4.00 -2.13 4.13 -1.26 -4.80 115.26 106.90 2f3s n ASN 253 Ca 0.20 0.06 -0.31 0.00 1.68 0.00 0.00 54.58 56.21 2f3s n ASN 253 Cb 0.28 -3.36 -0.16 0.00 -1.54 0.00 0.00 39.78 35.00 2f3s n ASN 253 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2f3s s LEU 254 N -0.55 2.71 0.00 3.41 1.43 0.41 -4.84 118.68 121.24 2f3s s LEU 254 Ca 0.00 -1.14 0.00 0.00 -1.03 0.00 0.00 54.13 51.96 2f3s s LEU 254 Cb 0.00 -1.30 0.00 0.00 0.03 0.00 0.00 46.19 44.92 2f3s s LEU 254 CO 0.00 -0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.00 2f3s n GLY 261 N 4.61 -2.63 0.20 -3.19 0.00 -1.26 -4.92 105.19 98.00 2f3s n GLY 261 Ca -0.14 -0.84 -0.09 0.00 0.00 0.00 0.00 46.02 44.95 2f3s n GLY 261 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2f3s h TYR 262 N 0.00 -0.40 -0.15 1.61 3.20 -2.00 -1.90 116.97 117.34 2f3s h TYR 262 Ca 0.00 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.93 2f3s h TYR 262 Cb 0.00 0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.43 2f3s h TYR 262 CO 0.00 -0.23 -0.10 0.82 -1.64 0.00 0.00 178.16 177.01 2f3s h ILE 263 N -0.19 0.70 -1.00 1.81 1.08 -2.02 -2.34 117.51 115.54 2f3s h ILE 263 Ca 0.10 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.60 2f3s h ILE 263 Cb 0.33 0.70 -0.06 0.00 -3.07 0.00 0.00 36.82 34.72 2f3s h ILE 263 CO -0.26 0.00 0.66 1.56 -0.69 0.00 0.00 178.15 179.42 2f3s h GLN 264 N -0.11 1.24 -0.90 2.37 1.08 -1.95 -0.65 115.11 116.20 2f3s h GLN 264 Ca 0.09 -0.07 0.01 0.00 -1.45 0.00 0.00 58.65 57.23 2f3s h GLN 264 Cb 0.24 -0.28 -0.04 0.00 -0.05 0.00 0.00 27.48 27.35 2f3s h GLN 264 CO -0.21 0.82 0.59 0.00 -0.95 0.00 0.00 178.83 179.08 2f3s h ALA 265 N 1.41 1.14 -0.28 3.87 0.00 -0.89 0.20 119.26 124.70 2f3s h ALA 265 Ca 0.40 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 2f3s h ALA 265 Cb -0.01 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 2f3s h ALA 265 CO -0.12 0.53 -0.15 0.28 0.00 0.00 0.00 179.25 179.79 2f3s h VAL 266 N 1.21 1.30 -0.07 0.00 2.07 -0.89 -2.98 116.25 116.90 2f3s h VAL 266 Ca 0.33 -1.26 -0.04 0.00 0.82 0.00 0.00 66.70 66.55 2f3s h VAL 266 Cb -0.13 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 2f3s h VAL 266 CO -0.07 0.40 -0.15 -0.07 0.02 0.00 0.00 177.57 177.69 2f3s h LEU 267 N 0.34 0.10 0.00 2.57 3.38 -0.60 -2.34 115.31 118.76 2f3s h LEU 267 Ca 0.06 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2f3s h LEU 267 Cb 0.68 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2f3s h LEU 267 CO 0.04 0.27 0.00 0.47 0.09 0.00 0.00 178.44 179.32 2f3s n ASP 268 N -4.30 0.00 0.30 -0.43 8.00 0.67 -2.87 116.55 117.91 2f3s n ASP 268 Ca -0.02 -0.26 0.16 0.00 0.71 0.00 0.00 54.79 55.39 2f3s n ASP 268 Cb 0.25 -0.18 0.93 0.00 -0.02 0.00 0.00 41.12 42.10 2f3s n ASP 268 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2f3s h ARG 269 N 0.00 0.00 -0.62 -1.24 3.08 -1.45 -1.42 114.38 112.73 2f3s h ARG 269 Ca 0.00 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.13 2f3s h ARG 269 Cb 0.12 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 2f3s h ARG 269 CO 0.00 0.02 0.41 -0.91 -1.07 0.00 0.00 179.97 178.43 2f3s h ASN 270 N 0.00 0.46 -0.62 7.04 -0.26 -1.76 -2.15 115.58 118.29 2f3s h ASN 270 Ca -0.00 0.01 0.07 0.00 -0.56 0.00 0.00 56.30 55.82 2f3s h ASN 270 Cb 0.07 -0.09 -0.06 0.00 -1.06 0.00 0.00 38.32 37.17 2f3s h ASN 270 CO 0.00 0.29 0.30 -0.07 -1.06 0.00 0.00 177.43 176.89 2f3s h LEU 271 N 0.52 0.39 -0.09 1.61 4.07 -1.52 -0.89 115.31 119.40 2f3s h LEU 271 Ca 0.28 0.05 -0.22 0.00 0.08 0.00 0.00 57.88 58.07 2f3s h LEU 271 Cb 0.41 -0.01 0.01 0.00 1.08 0.00 0.00 40.66 42.15 2f3s h LEU 271 CO -0.08 0.24 -0.82 0.00 -1.08 0.00 0.00 178.44 176.70 2f3s h ALA 272 N 1.37 0.22 0.00 1.53 0.00 -1.57 -3.24 119.26 117.57 2f3s h ALA 272 Ca 0.30 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2f3s h ALA 272 Cb 0.27 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2f3s h ALA 272 CO -0.23 0.62 0.00 0.39 0.00 0.00 0.00 179.25 180.03 2f3s n GLU 273 N -3.97 0.03 0.22 0.00 1.02 -0.99 -2.95 120.64 114.01 2f3s n GLU 273 Ca -0.09 0.19 0.15 0.00 -0.02 0.00 0.00 57.16 57.39 2f3s n GLU 273 Cb 0.77 -1.55 0.71 0.00 -0.02 0.00 0.00 31.44 31.34 2f3s n GLU 273 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 2f3s h ASN 274 N 0.00 0.00 -0.88 1.62 2.35 -1.19 -3.11 115.58 114.36 2f3s h ASN 274 Ca 0.00 0.00 0.10 0.00 -0.55 0.00 0.00 56.30 55.85 2f3s h ASN 274 Cb 0.36 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.66 2f3s h ASN 274 CO 0.00 0.00 0.52 0.40 -1.65 0.00 0.00 177.43 176.70 2f3s h ILE 275 N 0.00 0.91 -0.51 2.81 2.04 -1.75 -1.86 117.51 119.14 2f3s h ILE 275 Ca 0.00 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 2f3s h ILE 275 Cb 0.27 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.31 2f3s h ILE 275 CO 0.00 0.16 0.03 -1.54 0.00 0.00 0.00 178.15 176.79 2f3s n SER 276 N -4.71 5.17 -0.03 1.72 3.41 -1.18 -4.64 113.62 113.38 2f3s n SER 276 Ca 0.15 -3.00 -0.16 0.00 -0.26 0.00 0.00 58.87 55.61 2f3s n SER 276 Cb 0.31 -0.66 -0.09 0.00 -0.26 0.00 0.00 64.21 63.51 2f3s n SER 276 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2f3s h ARG 277 N 3.29 0.45 -3.05 4.33 9.65 -1.44 -1.85 114.38 125.76 2f3s h ARG 277 Ca 0.03 -0.38 -0.13 0.00 -1.10 0.00 0.00 59.98 58.40 2f3s h ARG 277 Cb 1.89 0.08 -0.22 0.00 -1.39 0.00 0.00 29.97 30.33 2f3s h ARG 277 CO 0.45 1.01 -0.33 0.54 2.80 0.00 0.00 179.97 184.45 2f3s s VAL 278 N -3.61 0.03 0.10 0.20 0.11 -1.26 -0.89 120.40 115.09 2f3s s VAL 278 Ca -0.13 -0.27 -0.30 0.00 -2.93 0.00 0.00 61.98 58.35 2f3s s VAL 278 Cb 0.05 -0.52 -0.06 0.00 -1.53 0.00 0.00 36.38 34.32 2f3s s VAL 278 CO 0.81 -0.15 1.07 -0.22 -3.33 0.00 0.00 175.10 173.28 2f3s s LEU 279 N -0.63 4.44 -0.02 2.54 2.96 -0.80 -4.99 118.68 122.18 2f3s s LEU 279 Ca -0.07 1.92 -0.30 0.00 -0.22 0.00 0.00 54.13 55.46 2f3s s LEU 279 Cb -0.04 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 43.01 2f3s s LEU 279 CO 0.02 -0.25 1.41 -0.31 -1.32 0.00 0.00 176.35 175.90 2f3s s TYR 280 N 0.35 2.77 -0.02 5.38 1.51 -1.26 -4.85 117.35 121.24 2f3s s TYR 280 Ca 0.51 0.78 0.00 0.00 -1.01 0.00 0.00 57.07 57.35 2f3s s TYR 280 Cb -0.26 -3.67 0.02 0.00 -0.11 0.00 0.00 41.96 37.94 2f3s s TYR 280 CO 0.31 -2.51 1.16 -0.35 -1.11 0.00 0.00 175.55 173.06 2f3s n PRO 281 N 5.64 1.04 -3.82 -1.71 -0.04 -1.26 -4.91 135.00 129.94 2f3s n PRO 281 Ca 0.14 -0.10 -0.36 0.00 -0.04 0.00 0.00 63.50 63.13 2f3s n PRO 281 Cb 0.44 -1.04 -0.07 0.00 -0.04 0.00 0.00 33.50 32.79 2f3s n PRO 281 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2f3s s ASN 282 N 1.06 6.36 -0.18 3.54 0.01 -1.26 -4.40 114.94 120.06 2f3s s ASN 282 Ca 0.02 0.42 -0.02 0.00 -0.71 0.00 0.00 52.86 52.57 2f3s s ASN 282 Cb 0.02 -2.08 -0.01 0.00 0.41 0.00 0.00 41.25 39.58 2f3s s ASN 282 CO 0.00 0.34 -0.08 -0.62 -1.51 0.00 0.00 177.10 175.23 2f3s s ASP 283 N -0.63 4.16 -1.40 -1.22 2.15 -1.26 -4.65 116.67 113.82 2f3s s ASP 283 Ca 0.13 -0.37 -0.02 0.00 0.43 0.00 0.00 52.55 52.72 2f3s s ASP 283 Cb -0.12 -1.68 0.02 0.00 -0.30 0.00 0.00 42.92 40.84 2f3s s ASP 283 CO 0.03 0.06 0.59 0.59 -0.17 0.00 0.00 175.17 176.27 2f3s n ASN 284 N 4.26 -1.19 -3.66 -0.34 3.02 -1.26 -4.97 115.26 111.12 2f3s n ASN 284 Ca -0.18 -0.92 -0.08 0.00 -0.03 0.00 0.00 54.58 53.37 2f3s n ASN 284 Cb 0.51 -3.48 -0.08 0.00 -0.61 0.00 0.00 39.78 36.12 2f3s n ASN 284 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2f3s s PHE 285 N -3.76 -0.93 -0.18 3.10 5.36 -1.26 -4.35 117.98 115.96 2f3s s PHE 285 Ca 0.11 1.86 -0.14 0.00 -0.96 0.00 0.00 56.93 57.79 2f3s s PHE 285 Cb -0.05 0.52 -0.04 0.00 -0.34 0.00 0.00 43.02 43.10 2f3s s PHE 285 CO 0.86 -0.48 0.31 0.12 -1.46 0.00 0.00 175.22 174.57 2f3s s PHE 286 N 1.67 3.41 -0.27 10.12 2.19 -0.18 -4.87 117.98 130.06 2f3s s PHE 286 Ca -0.09 0.55 0.02 0.00 0.33 0.00 0.00 56.93 57.74 2f3s s PHE 286 Cb -0.07 -2.39 0.07 0.00 -1.31 0.00 0.00 43.02 39.32 2f3s s PHE 286 CO -0.17 0.14 -0.05 -2.00 1.83 0.00 0.00 175.22 174.96 2f3s s GLU 287 N 0.81 1.81 -1.22 10.12 2.12 -1.26 -4.95 118.70 126.13 2f3s s GLU 287 Ca 0.16 -1.28 -0.10 0.00 0.36 0.00 0.00 54.97 54.11 2f3s s GLU 287 Cb -0.14 -2.78 -0.07 0.00 0.26 0.00 0.00 34.13 31.40 2f3s s GLU 287 CO 0.05 -0.66 2.41 0.41 -0.54 0.00 0.00 175.26 176.93 2f3s n GLY 288 N 4.51 3.61 3.87 -1.50 0.00 -1.26 -4.92 105.19 109.50 2f3s n GLY 288 Ca -0.10 -1.22 -0.36 0.00 0.00 0.00 0.00 46.02 44.35 2f3s n GLY 288 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f3s s LYS 289 N 3.12 3.66 0.25 1.61 -0.14 -1.26 -5.01 119.74 121.97 2f3s s LYS 289 Ca 0.53 0.06 -0.04 0.00 -1.36 0.00 0.00 55.97 55.16 2f3s s LYS 289 Cb 0.14 -3.11 0.37 0.00 -1.68 0.00 0.00 37.83 33.54 2f3s s LYS 289 CO -0.03 0.66 1.84 1.49 -0.76 0.00 0.00 175.35 178.56 2f3s h GLU 290 N 4.26 0.92 -0.94 1.68 4.81 -2.00 -2.01 114.58 121.31 2f3s h GLU 290 Ca -0.51 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 58.70 2f3s h GLU 290 Cb 1.21 -0.21 -0.05 0.00 0.63 0.00 0.00 28.75 30.33 2f3s h GLU 290 CO 0.64 0.61 0.61 1.25 -0.73 0.00 0.00 179.01 181.39 2f3s h LEU 291 N 0.95 1.02 -0.77 1.64 5.85 -1.98 -0.84 115.31 121.18 2f3s h LEU 291 Ca 0.39 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 59.03 2f3s h LEU 291 Cb 0.23 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 2f3s h LEU 291 CO -0.20 0.70 0.11 -0.09 -0.34 0.00 0.00 178.44 178.62 2f3s h ARG 292 N 1.18 1.04 -0.62 1.25 9.65 -1.73 -1.34 114.38 123.81 2f3s h ARG 292 Ca 0.37 -0.27 -0.08 0.00 -1.10 0.00 0.00 59.98 58.90 2f3s h ARG 292 Cb 0.01 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.43 2f3s h ARG 292 CO -0.11 0.95 0.07 1.25 2.80 0.00 0.00 179.97 184.94 2f3s h LEU 293 N 0.98 0.99 -0.72 3.80 5.85 -0.97 -1.30 115.31 123.93 2f3s h LEU 293 Ca 0.20 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 2f3s h LEU 293 Cb 0.42 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 2f3s h LEU 293 CO 0.01 1.00 0.32 0.11 -0.34 0.00 0.00 178.44 179.54 2f3s h LYS 294 N 0.96 1.06 -0.61 1.25 1.57 -0.79 -1.38 116.57 118.63 2f3s h LYS 294 Ca 0.19 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2f3s h LYS 294 Cb 0.45 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 2f3s h LYS 294 CO 0.02 0.86 0.29 1.96 -0.57 0.00 0.00 179.45 182.00 2f3s h GLN 295 N 1.02 0.88 -0.63 3.15 4.20 -0.79 0.13 115.11 123.06 2f3s h GLN 295 Ca 0.24 -0.13 -0.03 0.00 0.06 0.00 0.00 58.65 58.80 2f3s h GLN 295 Cb 0.17 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 2f3s h GLN 295 CO -0.02 0.71 0.29 0.93 -0.67 0.00 0.00 178.83 180.06 2f3s h GLU 296 N 0.83 0.92 -0.06 1.46 5.08 -0.86 -2.04 114.58 119.92 2f3s h GLU 296 Ca 0.21 -0.15 -0.21 0.00 -1.00 0.00 0.00 59.36 58.21 2f3s h GLU 296 Cb 0.12 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2f3s h GLU 296 CO -0.03 0.75 -0.83 -0.92 -1.00 0.00 0.00 179.01 176.98 2f3s h TYR 297 N 0.87 0.68 -0.20 4.33 3.20 -1.04 -2.87 116.97 121.94 2f3s h TYR 297 Ca 0.22 -0.33 0.05 0.00 3.14 0.00 0.00 58.73 61.80 2f3s h TYR 297 Cb 0.15 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.27 2f3s h TYR 297 CO 0.00 1.12 -0.11 0.35 -1.64 0.00 0.00 178.16 177.89 2f3s h PHE 298 N 0.31 -0.26 -0.59 -3.82 3.57 -0.54 0.28 116.94 115.89 2f3s h PHE 298 Ca -0.06 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.36 2f3s h PHE 298 Cb 1.44 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 40.31 2f3s h PHE 298 CO 0.06 -0.17 -0.05 -0.24 -2.23 0.00 0.00 178.31 175.69 2f3s h VAL 299 N -0.09 1.27 -0.20 1.41 3.04 -1.41 -2.59 116.25 117.67 2f3s h VAL 299 Ca 0.11 -1.21 -0.03 0.00 -1.01 0.00 0.00 66.70 64.56 2f3s h VAL 299 Cb 0.26 0.86 -0.01 0.00 -2.01 0.00 0.00 31.29 30.40 2f3s h VAL 299 CO -0.26 0.43 -0.01 0.58 -1.01 0.00 0.00 177.57 177.31 2f3s h VAL 300 N 0.96 1.26 -0.15 1.51 2.07 -1.22 -1.92 116.25 118.75 2f3s h VAL 300 Ca 0.16 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 2f3s h VAL 300 Cb 0.61 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 2f3s h VAL 300 CO 0.04 0.27 0.06 0.00 0.02 0.00 0.00 177.57 177.96 2f3s h ALA 301 N 0.78 0.19 -0.36 1.67 0.00 -0.45 -1.29 119.26 119.79 2f3s h ALA 301 Ca 0.06 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2f3s h ALA 301 Cb 0.41 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2f3s h ALA 301 CO 0.01 -0.21 0.08 0.00 0.00 0.00 0.00 179.25 179.13 2f3s h ALA 302 N 0.89 0.48 -0.16 0.00 0.00 -1.53 -2.94 119.26 116.00 2f3s h ALA 302 Ca 0.05 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2f3s h ALA 302 Cb 0.19 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2f3s h ALA 302 CO -0.00 0.16 0.10 1.15 0.00 0.00 0.00 179.25 180.66 2f3s h THR 303 N 0.43 1.07 -0.54 0.00 2.02 -1.30 -2.46 112.91 112.13 2f3s h THR 303 Ca 0.11 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 2f3s h THR 303 Cb 0.32 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 2f3s h THR 303 CO 0.00 0.06 0.30 -0.07 0.37 0.00 0.00 175.52 176.18 2f3s h LEU 304 N 0.19 0.65 -0.73 2.58 3.38 -1.24 0.55 115.31 120.70 2f3s h LEU 304 Ca 0.06 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 2f3s h LEU 304 Cb 0.02 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2f3s h LEU 304 CO -0.01 0.53 -0.08 1.56 0.09 0.00 0.00 178.44 180.53 2f3s h GLN 305 N 0.75 0.89 -0.46 1.13 4.20 -1.37 -0.61 115.11 119.64 2f3s h GLN 305 Ca 0.19 -0.30 -0.06 0.00 0.06 0.00 0.00 58.65 58.55 2f3s h GLN 305 Cb 0.02 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 2f3s h GLN 305 CO -0.03 0.94 0.06 0.22 -0.67 0.00 0.00 178.83 179.34 2f3s h ASP 306 N 0.81 0.75 -0.14 1.46 -0.00 -0.85 -0.32 116.42 118.12 2f3s h ASP 306 Ca 0.14 -0.27 -0.01 0.00 -0.00 0.00 0.00 57.03 56.89 2f3s h ASP 306 Cb 0.60 -0.20 -0.01 0.00 -0.00 0.00 0.00 39.33 39.72 2f3s h ASP 306 CO 0.04 0.83 0.06 0.40 -0.00 0.00 0.00 179.24 180.57 2f3s h ILE 307 N 0.63 1.13 -0.53 2.25 2.04 -0.67 -1.39 117.51 120.97 2f3s h ILE 307 Ca 0.14 -0.37 -0.09 0.00 1.00 0.00 0.00 64.86 65.54 2f3s h ILE 307 Cb 0.41 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 2f3s h ILE 307 CO 0.01 0.12 -0.02 0.40 0.00 0.00 0.00 178.15 178.66 2f3s h ILE 308 N 0.09 1.26 -0.16 -0.67 2.04 -1.04 -0.57 117.51 118.46 2f3s h ILE 308 Ca 0.05 -1.10 0.00 0.00 1.00 0.00 0.00 64.86 64.81 2f3s h ILE 308 Cb 0.13 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 2f3s h ILE 308 CO -0.01 0.39 0.10 -0.09 0.00 0.00 0.00 178.15 178.55 2f3s h ARG 309 N 0.84 0.22 -0.32 2.37 2.43 -0.91 -0.38 114.38 118.64 2f3s h ARG 309 Ca 0.15 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.25 2f3s h ARG 309 Cb 0.52 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 2f3s h ARG 309 CO 0.03 0.16 -0.06 -0.09 -1.51 0.00 0.00 179.97 178.50 2f3s h ARG 310 N 0.21 0.51 -0.40 0.20 2.43 -1.05 -1.87 114.38 114.40 2f3s h ARG 310 Ca 0.06 -0.12 -0.08 0.00 -0.81 0.00 0.00 59.98 59.03 2f3s h ARG 310 Cb -0.01 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 2f3s h ARG 310 CO -0.01 0.58 -0.05 0.35 -1.51 0.00 0.00 179.97 179.32 2f3s h PHE 311 N 0.48 0.83 0.00 2.20 3.57 -0.50 -2.96 116.94 120.57 2f3s h PHE 311 Ca 0.10 -0.16 -0.10 0.00 3.53 0.00 0.00 57.97 61.33 2f3s h PHE 311 Cb 0.40 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 2f3s h PHE 311 CO 0.01 0.86 -0.47 0.87 -2.23 0.00 0.00 178.31 177.35 2f3s h LYS 312 N 0.57 0.00 -1.38 1.11 1.57 -0.86 -3.00 116.57 114.58 2f3s h LYS 312 Ca 0.11 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.71 2f3s h LYS 312 Cb 0.56 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.78 2f3s h LYS 312 CO 0.03 0.47 0.23 0.43 -0.57 0.00 0.00 179.45 180.04 2f3s n SER 313 N -3.78 4.75 -0.07 0.86 7.64 -0.72 -5.00 113.62 117.30 2f3s n SER 313 Ca -0.01 -2.66 -0.04 0.00 1.01 0.00 0.00 58.87 57.16 2f3s n SER 313 Cb 0.52 -0.86 -0.01 0.00 -1.01 0.00 0.00 64.21 62.84 2f3s n SER 313 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2f3s h SER 314 N 0.84 0.00 0.00 6.43 0.02 -1.59 -3.49 113.55 115.76 2f3s h SER 314 Ca 0.19 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2f3s h SER 314 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2f3s h SER 314 CO 0.41 0.73 0.00 0.41 -1.14 0.00 0.00 176.83 177.24 2f3s n THR 324 N -4.64 0.00 -3.13 -2.27 -1.04 -1.26 -5.08 114.28 96.86 2f3s n THR 324 Ca -0.06 0.00 -0.45 0.00 -2.04 0.00 0.00 64.05 61.50 2f3s n THR 324 Cb 0.23 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.73 2f3s n THR 324 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2f3s s ASN 325 N 0.00 7.13 0.00 8.00 3.04 -1.26 -4.82 114.94 127.03 2f3s s ASN 325 Ca 0.00 -3.16 0.22 0.00 0.04 0.00 0.00 52.86 49.95 2f3s s ASN 325 Cb 0.00 -2.31 1.15 0.00 -1.54 0.00 0.00 41.25 38.55 2f3s s ASN 325 CO 0.00 -0.57 1.69 0.49 -3.04 0.00 0.00 177.10 175.67 2f3s n PHE 326 N 4.37 0.00 0.21 0.43 3.72 -1.26 -2.76 117.46 122.18 2f3s n PHE 326 Ca 0.29 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.76 2f3s n PHE 326 Cb 0.42 -0.19 0.47 0.00 -0.94 0.00 0.00 39.48 39.24 2f3s n PHE 326 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2f3s h ASP 327 N 0.00 0.00 0.01 4.37 5.19 -1.98 -1.98 116.42 122.03 2f3s h ASP 327 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2f3s h ASP 327 Cb 0.14 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.65 2f3s h ASP 327 CO 0.00 0.28 -0.07 0.00 -3.12 0.00 0.00 179.24 176.34 2f3s n ALA 328 N -2.33 2.68 -0.14 3.45 0.00 -1.11 -4.39 120.51 118.67 2f3s n ALA 328 Ca -0.01 -0.52 -0.03 0.00 0.00 0.00 0.00 53.44 52.88 2f3s n ALA 328 Cb 0.39 -1.04 0.04 0.00 0.00 0.00 0.00 19.45 18.84 2f3s n ALA 328 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2f3s h PHE 329 N 2.84 -0.11 0.00 0.00 3.04 -1.50 -0.09 116.94 121.12 2f3s h PHE 329 Ca 0.00 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.99 2f3s h PHE 329 Cb 0.65 0.12 0.00 0.00 2.56 0.00 0.00 35.95 39.28 2f3s h PHE 329 CO 0.00 -0.13 0.00 -1.35 -2.02 0.00 0.00 178.31 174.81 2f3s h PRO 330 N 0.07 0.00 0.00 6.41 0.11 -1.78 0.14 132.00 136.94 2f3s h PRO 330 Ca 0.22 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.29 2f3s h PRO 330 Cb 0.33 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 2f3s h PRO 330 CO -0.41 0.00 -0.24 -0.44 -0.21 0.00 0.00 178.00 176.70 2f3s h ASP 331 N 0.00 0.00 -0.00 -2.05 3.32 -1.31 -3.32 116.42 113.06 2f3s h ASP 331 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2f3s h ASP 331 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 2f3s h ASP 331 CO 0.00 0.18 -0.34 0.29 -1.72 0.00 0.00 179.24 177.65 2f3s n LYS 332 N -3.12 3.42 -4.02 3.56 4.76 -0.69 -4.57 118.16 117.50 2f3s n LYS 332 Ca 0.03 -0.20 -0.15 0.00 -2.87 0.00 0.00 58.31 55.12 2f3s n LYS 332 Cb 0.61 -0.97 -0.15 0.00 -1.84 0.00 0.00 35.03 32.68 2f3s n LYS 332 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2f3s s VAL 333 N -1.66 0.24 -0.05 -0.18 1.01 0.40 -0.98 120.40 119.17 2f3s s VAL 333 Ca 0.05 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 61.97 2f3s s VAL 333 Cb 0.07 -0.24 0.02 0.00 0.00 0.00 0.00 36.38 36.23 2f3s s VAL 333 CO 0.32 0.10 -0.08 0.00 0.00 0.00 0.00 175.10 175.44 2f3s s ALA 334 N 0.24 0.94 -0.20 5.51 0.00 -0.45 -4.50 121.76 123.30 2f3s s ALA 334 Ca -0.02 -0.22 0.01 0.00 0.00 0.00 0.00 51.96 51.73 2f3s s ALA 334 Cb -0.05 -0.49 0.03 0.00 0.00 0.00 0.00 23.12 22.60 2f3s s ALA 334 CO -0.01 0.03 -0.16 0.42 0.00 0.00 0.00 175.76 176.05 2f3s s ILE 335 N 0.82 2.23 -0.25 0.00 1.01 -0.18 -0.39 121.20 124.44 2f3s s ILE 335 Ca -0.12 -1.06 -0.09 0.00 0.00 0.00 0.00 60.65 59.38 2f3s s ILE 335 Cb -0.15 -2.03 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 2f3s s ILE 335 CO 0.02 0.39 0.12 -1.58 0.00 0.00 0.00 174.94 173.89 2f3s s GLN 336 N 1.27 3.82 -0.36 2.79 2.00 -0.03 -1.58 119.66 127.57 2f3s s GLN 336 Ca 0.02 -0.39 -0.19 0.00 -2.00 0.00 0.00 55.36 52.80 2f3s s GLN 336 Cb -0.15 -3.46 0.00 0.00 0.80 0.00 0.00 33.01 30.21 2f3s s GLN 336 CO -0.10 -0.13 0.55 -0.51 -0.50 0.00 0.00 175.29 174.60 2f3s s LEU 337 N 1.53 4.36 -0.93 3.68 1.43 0.03 -1.64 118.68 127.15 2f3s s LEU 337 Ca 0.06 -0.04 -0.24 0.00 -1.03 0.00 0.00 54.13 52.88 2f3s s LEU 337 Cb -0.15 -2.63 0.05 0.00 0.03 0.00 0.00 46.19 43.49 2f3s s LEU 337 CO 0.06 -0.53 1.36 0.21 0.23 0.00 0.00 176.35 177.68 2f3s s ASN 338 N 1.79 6.41 0.45 2.29 2.47 -0.82 -1.99 114.94 125.54 2f3s s ASN 338 Ca 0.20 -1.22 0.00 0.00 0.42 0.00 0.00 52.86 52.26 2f3s s ASN 338 Cb -0.15 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.10 2f3s s ASN 338 CO 0.14 -1.56 0.00 -0.67 -3.72 0.00 0.00 177.10 171.29 2f3s n ASP 339 N 8.78 -2.01 -0.22 -4.21 -0.08 -0.37 -4.13 116.55 114.31 2f3s n ASP 339 Ca 0.23 0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.65 2f3s n ASP 339 Cb 0.50 0.00 0.49 0.00 2.34 0.00 0.00 41.12 44.45 2f3s n ASP 339 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 2f3s n THR 340 N -0.45 0.00 -0.34 5.18 -2.24 -1.26 -4.30 114.28 110.87 2f3s n THR 340 Ca 0.00 -0.11 0.16 0.00 -2.27 0.00 0.00 64.05 61.82 2f3s n THR 340 Cb 0.00 0.21 0.38 0.00 -2.10 0.00 0.00 70.33 68.81 2f3s n THR 340 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 2f3s h HIS 341 N 1.08 0.97 -0.66 4.78 3.86 -1.96 0.14 115.15 123.36 2f3s h HIS 341 Ca 0.00 0.03 -0.22 0.00 -1.16 0.00 0.00 60.37 59.03 2f3s h HIS 341 Cb 0.44 -0.29 -0.13 0.00 1.06 0.00 0.00 27.41 28.49 2f3s h HIS 341 CO 0.00 0.16 0.23 -0.35 0.86 0.00 0.00 177.93 178.84 2f3s n PRO 342 N -4.76 3.27 0.24 2.45 -0.04 -1.26 -4.64 135.00 130.25 2f3s n PRO 342 Ca 0.24 -3.07 0.17 0.00 -0.04 0.00 0.00 63.50 60.81 2f3s n PRO 342 Cb 0.67 -2.12 0.88 0.00 -0.04 0.00 0.00 33.50 32.88 2f3s n PRO 342 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2f3s h SER 343 N 2.21 0.00 0.20 3.54 4.64 -0.96 -1.23 113.55 121.94 2f3s h SER 343 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 2f3s h SER 343 Cb 2.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.29 2f3s h SER 343 CO 0.67 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.81 2f3s n LEU 344 N -3.66 0.00 0.12 5.97 4.77 -1.26 -2.04 117.00 120.90 2f3s n LEU 344 Ca 0.00 0.34 0.03 0.00 -0.03 0.00 0.00 56.01 56.36 2f3s n LEU 344 Cb 0.28 -0.34 0.43 0.00 -2.33 0.00 0.00 43.42 41.45 2f3s n LEU 344 CO 0.26 -0.25 0.95 0.00 -1.33 0.00 0.00 177.39 177.02 2f3s h ALA 345 N 2.37 1.61 0.51 -1.18 0.00 -1.59 -0.54 119.26 120.44 2f3s h ALA 345 Ca 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2f3s h ALA 345 Cb 0.10 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.81 2f3s h ALA 345 CO 0.00 0.29 -0.25 0.82 0.00 0.00 0.00 179.25 180.11 2f3s h ILE 346 N 0.24 0.38 0.00 0.00 2.04 -1.66 0.07 117.51 118.59 2f3s h ILE 346 Ca 0.05 -0.38 -0.06 0.00 1.00 0.00 0.00 64.86 65.48 2f3s h ILE 346 Cb 0.26 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 2f3s h ILE 346 CO 0.01 0.05 -0.29 1.55 0.00 0.00 0.00 178.15 179.47 2f3s h PRO 347 N -0.95 0.00 -0.38 2.37 0.13 -1.73 -2.40 132.00 129.03 2f3s h PRO 347 Ca -0.07 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.91 2f3s h PRO 347 Cb 0.61 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 2f3s h PRO 347 CO 0.12 0.29 -0.35 1.49 -0.23 0.00 0.00 178.00 179.32 2f3s h GLU 348 N 0.00 0.89 -0.61 0.86 4.57 -1.04 0.93 114.58 120.18 2f3s h GLU 348 Ca -0.00 -0.44 -0.10 0.00 -1.18 0.00 0.00 59.36 57.64 2f3s h GLU 348 Cb 0.79 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.37 2f3s h GLU 348 CO 0.04 1.09 -0.00 1.25 -1.18 0.00 0.00 179.01 180.21 2f3s h LEU 349 N 0.73 1.05 -0.59 1.64 5.85 -0.80 -1.33 115.31 121.86 2f3s h LEU 349 Ca 0.07 -0.30 -0.05 0.00 0.84 0.00 0.00 57.88 58.43 2f3s h LEU 349 Cb 0.93 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 2f3s h LEU 349 CO 0.09 1.10 0.16 0.24 -0.34 0.00 0.00 178.44 179.68 2f3s h MET 350 N 0.97 0.93 -0.27 1.25 2.86 -1.24 -1.30 114.93 118.13 2f3s h MET 350 Ca 0.17 -0.22 0.02 0.00 -2.06 0.00 0.00 59.70 57.62 2f3s h MET 350 Cb 0.56 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 2f3s h MET 350 CO 0.03 0.85 0.13 -0.09 1.06 0.00 0.00 176.91 178.89 2f3s h ARG 351 N 0.84 0.26 -0.13 1.72 2.43 -0.49 0.87 114.38 119.88 2f3s h ARG 351 Ca 0.19 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 2f3s h ARG 351 Cb 0.33 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 2f3s h ARG 351 CO -0.00 0.17 0.04 0.28 -1.51 0.00 0.00 179.97 178.95 2f3s h VAL 352 N 0.27 1.18 -0.51 0.20 2.07 -1.09 0.15 116.25 118.52 2f3s h VAL 352 Ca 0.11 -0.54 -0.05 0.00 0.82 0.00 0.00 66.70 67.04 2f3s h VAL 352 Cb 0.05 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 2f3s h VAL 352 CO -0.09 0.16 0.11 -0.07 0.02 0.00 0.00 177.57 177.71 2f3s h LEU 353 N 0.03 0.79 0.01 2.57 3.38 -1.07 0.28 115.31 121.30 2f3s h LEU 353 Ca 0.04 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 2f3s h LEU 353 Cb 0.22 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2f3s h LEU 353 CO -0.00 0.82 -0.01 0.58 0.09 0.00 0.00 178.44 179.93 2f3s h VAL 354 N 0.72 0.91 -0.12 1.22 2.07 -0.83 0.22 116.25 120.43 2f3s h VAL 354 Ca 0.16 -1.64 -0.23 0.00 0.82 0.00 0.00 66.70 65.80 2f3s h VAL 354 Cb 0.35 1.71 0.01 0.00 -1.52 0.00 0.00 31.29 31.84 2f3s h VAL 354 CO 0.00 0.30 -0.83 0.44 0.02 0.00 0.00 177.57 177.51 2f3s h ASP 355 N -0.99 0.93 0.03 0.57 3.45 -0.82 -3.04 116.42 116.55 2f3s h ASP 355 Ca -0.00 -0.63 -0.39 0.00 0.43 0.00 0.00 57.03 56.44 2f3s h ASP 355 Cb 0.51 -0.28 -0.06 0.00 -0.56 0.00 0.00 39.33 38.95 2f3s h ASP 355 CO 0.00 1.43 -2.26 0.18 -1.57 0.00 0.00 179.24 177.03 2f3s n LEU 356 N -3.92 2.52 0.03 1.55 4.77 -0.54 -4.50 117.00 116.92 2f3s n LEU 356 Ca -0.08 0.12 0.12 0.00 -0.03 0.00 0.00 56.01 56.14 2f3s n LEU 356 Cb 0.77 -0.94 0.25 0.00 -2.33 0.00 0.00 43.42 41.18 2f3s n LEU 356 CO 0.53 0.75 0.47 -0.62 -1.33 0.00 0.00 177.39 177.20 2f3s n GLU 357 N -3.70 0.16 -2.20 3.23 -0.58 -0.02 -4.97 120.64 112.55 2f3s n GLU 357 Ca -0.44 0.05 -0.11 0.00 -0.42 0.00 0.00 57.16 56.25 2f3s n GLU 357 Cb 0.94 -1.61 -0.01 0.00 -0.57 0.00 0.00 31.44 30.20 2f3s n GLU 357 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2f3s n ARG 358 N -1.84 -0.85 -2.77 3.49 5.12 -0.63 -4.97 116.66 114.21 2f3s n ARG 358 Ca 0.05 0.52 -0.32 0.00 -1.93 0.00 0.00 57.85 56.17 2f3s n ARG 358 Cb 0.39 -4.61 -0.04 0.00 -1.16 0.00 0.00 32.46 27.04 2f3s n ARG 358 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2f3s s LEU 359 N -3.06 3.83 0.60 0.55 1.02 -0.03 -4.98 118.68 116.60 2f3s s LEU 359 Ca 0.00 1.38 -0.16 0.00 0.02 0.00 0.00 54.13 55.37 2f3s s LEU 359 Cb 0.00 -4.26 -0.03 0.00 0.02 0.00 0.00 46.19 41.92 2f3s s LEU 359 CO 0.00 -0.41 1.08 1.51 0.02 0.00 0.00 176.35 178.55 2f3s s ASP 360 N -2.80 5.64 0.12 2.29 -4.77 -1.26 -4.37 116.67 111.52 2f3s s ASP 360 Ca 0.56 1.91 -0.33 0.00 -3.30 0.00 0.00 52.55 51.39 2f3s s ASP 360 Cb -0.10 -2.55 -0.12 0.00 -1.09 0.00 0.00 42.92 39.07 2f3s s ASP 360 CO 0.26 -1.26 1.56 -0.25 0.70 0.00 0.00 175.17 176.17 2f3s h TRP 361 N 0.51 -1.53 -1.00 2.11 2.91 -1.97 -1.30 115.95 115.67 2f3s h TRP 361 Ca -0.47 0.06 0.21 0.00 1.13 0.00 0.00 58.89 59.81 2f3s h TRP 361 Cb 1.23 0.68 -0.11 0.00 -0.51 0.00 0.00 29.16 30.45 2f3s h TRP 361 CO 0.57 -0.54 0.61 -0.44 -1.03 0.00 0.00 178.44 177.60 2f3s h ASP 362 N -0.60 0.75 -0.13 2.65 3.45 -1.99 0.14 116.42 120.69 2f3s h ASP 362 Ca 0.04 0.11 -0.10 0.00 0.43 0.00 0.00 57.03 57.50 2f3s h ASP 362 Cb 0.69 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.44 2f3s h ASP 362 CO -0.41 0.23 -0.32 0.50 -1.57 0.00 0.00 179.24 177.67 2f3s h LYS 363 N 0.71 0.45 -0.71 3.56 1.63 -1.84 -2.28 116.57 118.08 2f3s h LYS 363 Ca 0.60 -0.30 0.04 0.00 -0.85 0.00 0.00 60.65 60.14 2f3s h LYS 363 Cb 1.00 0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 32.62 2f3s h LYS 363 CO -0.40 0.92 0.43 0.00 -3.45 0.00 0.00 179.45 176.94 2f3s h ALA 364 N 0.53 0.94 -0.67 5.00 0.00 -0.09 -1.77 119.26 123.20 2f3s h ALA 364 Ca -0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2f3s h ALA 364 Cb 0.92 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 2f3s h ALA 364 CO 0.07 0.16 0.14 2.35 0.00 0.00 0.00 179.25 181.97 2f3s h TRP 365 N 0.81 1.15 -0.25 0.00 2.91 -0.76 -0.68 115.95 119.12 2f3s h TRP 365 Ca 0.30 -0.15 0.01 0.00 1.13 0.00 0.00 58.89 60.18 2f3s h TRP 365 Cb 0.10 -0.32 -0.01 0.00 -0.51 0.00 0.00 29.16 28.42 2f3s h TRP 365 CO -0.05 0.95 0.16 1.49 -1.03 0.00 0.00 178.44 179.95 2f3s h GLU 366 N 1.01 0.31 -0.36 2.65 4.81 -0.88 -1.03 114.58 121.09 2f3s h GLU 366 Ca 0.21 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 2f3s h GLU 366 Cb 0.40 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 2f3s h GLU 366 CO 0.01 0.21 0.20 0.28 -0.73 0.00 0.00 179.01 178.97 2f3s h VAL 367 N 0.32 1.14 -0.08 0.32 2.07 -1.09 -2.37 116.25 116.57 2f3s h VAL 367 Ca 0.10 -0.36 0.01 0.00 0.82 0.00 0.00 66.70 67.27 2f3s h VAL 367 Cb -0.02 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2f3s h VAL 367 CO -0.03 0.14 0.01 0.74 0.02 0.00 0.00 177.57 178.45 2f3s h THR 368 N 0.45 0.96 -0.47 2.57 2.02 -0.84 -1.56 112.91 116.05 2f3s h THR 368 Ca 0.13 -0.01 0.01 0.00 0.77 0.00 0.00 66.41 67.30 2f3s h THR 368 Cb 0.05 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 2f3s h THR 368 CO -0.02 0.01 0.30 0.58 0.37 0.00 0.00 175.52 176.76 2f3s h VAL 369 N 0.04 1.11 0.00 3.16 2.07 -1.14 -1.18 116.25 120.31 2f3s h VAL 369 Ca 0.03 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 2f3s h VAL 369 Cb 0.03 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 2f3s h VAL 369 CO -0.05 0.11 -0.04 0.11 0.02 0.00 0.00 177.57 177.72 2f3s h LYS 370 N 0.62 0.00 0.11 1.57 1.57 -1.27 -2.21 116.57 116.96 2f3s h LYS 370 Ca 0.17 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.61 2f3s h LYS 370 Cb -0.06 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 2f3s h LYS 370 CO -0.04 0.04 -1.83 1.15 -0.57 0.00 0.00 179.45 178.20 2f3s h THR 371 N 0.00 0.80 -3.12 -0.16 2.02 -0.66 -3.47 112.91 108.32 2f3s h THR 371 Ca -0.00 -2.51 -0.59 0.00 0.77 0.00 0.00 66.41 64.08 2f3s h THR 371 Cb 0.44 2.57 -0.05 0.00 -1.74 0.00 0.00 68.15 69.38 2f3s h THR 371 CO 0.01 0.81 -0.22 0.00 0.37 0.00 0.00 175.52 176.48 2f3s s ALA 373 N -1.36 0.13 -0.06 0.00 0.00 -0.62 -1.47 121.76 118.39 2f3s s ALA 373 Ca 0.32 -0.29 0.05 0.00 0.00 0.00 0.00 51.96 52.04 2f3s s ALA 373 Cb -0.14 0.04 -0.00 0.00 0.00 0.00 0.00 23.12 23.02 2f3s s ALA 373 CO 0.17 -0.05 -0.20 -0.47 0.00 0.00 0.00 175.76 175.22 2f3s s TYR 374 N -0.64 1.98 -0.18 0.00 6.14 -0.14 -0.79 117.35 123.72 2f3s s TYR 374 Ca -0.06 -0.62 -0.02 0.00 0.64 0.00 0.00 57.07 57.00 2f3s s TYR 374 Cb -0.05 -1.33 -0.01 0.00 0.42 0.00 0.00 41.96 41.00 2f3s s TYR 374 CO -0.00 -0.22 -0.09 0.99 0.64 0.00 0.00 175.55 176.87 2f3s s THR 375 N 0.09 3.19 -0.04 4.34 2.01 -0.84 -1.61 115.64 122.78 2f3s s THR 375 Ca -0.07 -0.58 -0.13 0.00 0.31 0.00 0.00 61.69 61.23 2f3s s THR 375 Cb -0.13 -2.40 -0.05 0.00 0.01 0.00 0.00 72.50 69.92 2f3s s THR 375 CO 0.04 0.47 0.34 0.21 -0.69 0.00 0.00 174.62 174.99 2f3s s ASN 376 N 1.00 6.69 0.00 3.53 3.84 -0.61 -1.23 114.94 128.15 2f3s s ASN 376 Ca -0.01 0.82 0.01 0.00 0.21 0.00 0.00 52.86 53.90 2f3s s ASN 376 Cb -0.15 -2.21 0.02 0.00 -0.55 0.00 0.00 41.25 38.37 2f3s s ASN 376 CO -0.01 0.32 0.81 1.41 -2.79 0.00 0.00 177.10 176.85 2f3s n HIS 377 N 2.00 0.03 -3.54 0.43 8.25 -1.26 -4.12 115.22 117.00 2f3s n HIS 377 Ca -0.15 -0.28 -0.08 0.00 -0.26 0.00 0.00 57.72 56.95 2f3s n HIS 377 Cb 0.53 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.59 2f3s n HIS 377 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2f3s s THR 378 N -0.61 0.00 -0.26 1.59 -1.32 -1.26 -4.60 115.64 109.18 2f3s s THR 378 Ca 0.02 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.52 2f3s s THR 378 Cb 0.01 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 70.01 2f3s s THR 378 CO 0.02 0.00 0.46 1.33 -2.21 0.00 0.00 174.62 174.21 2f3s n VAL 379 N -0.02 0.00 -1.96 5.08 0.24 -1.26 -4.99 118.33 115.42 2f3s n VAL 379 Ca -0.06 -0.49 -0.42 0.00 -2.04 0.00 0.00 64.34 61.33 2f3s n VAL 379 Cb 0.60 1.04 -0.03 0.00 -1.47 0.00 0.00 33.84 33.98 2f3s n VAL 379 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2f3s s LEU 380 N -0.69 4.36 0.33 1.34 1.43 -1.26 -4.90 118.68 119.30 2f3s s LEU 380 Ca 0.02 2.48 0.05 0.00 -1.03 0.00 0.00 54.13 55.65 2f3s s LEU 380 Cb 0.02 -3.57 0.67 0.00 0.03 0.00 0.00 46.19 43.34 2f3s s LEU 380 CO 0.05 -0.85 1.91 1.55 0.23 0.00 0.00 176.35 179.23 2f3s h PRO 381 N 7.91 0.83 0.00 1.29 0.13 -1.98 -1.89 132.00 138.29 2f3s h PRO 381 Ca -0.42 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2f3s h PRO 381 Cb 1.20 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2f3s h PRO 381 CO 0.92 0.55 0.00 -0.85 -0.23 0.00 0.00 178.00 178.39 2f3s n GLU 382 N -4.52 0.01 0.03 0.86 0.00 -1.26 -2.72 120.64 113.05 2f3s n GLU 382 Ca 0.14 0.25 0.11 0.00 0.00 0.00 0.00 57.16 57.66 2f3s n GLU 382 Cb 0.29 -1.52 -0.04 0.00 0.00 0.00 0.00 31.44 30.17 2f3s n GLU 382 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2f3s n ALA 383 N -1.52 3.21 -2.07 -1.84 0.00 -0.71 -1.01 120.51 116.57 2f3s n ALA 383 Ca 0.04 -0.42 -0.41 0.00 0.00 0.00 0.00 53.44 52.64 2f3s n ALA 383 Cb 0.18 -0.92 -0.03 0.00 0.00 0.00 0.00 19.45 18.67 2f3s n ALA 383 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2f3s s LEU 384 N -4.24 4.44 -0.21 0.00 1.43 -1.10 -4.24 118.68 114.76 2f3s s LEU 384 Ca 0.00 2.23 -0.29 0.00 -1.03 0.00 0.00 54.13 55.04 2f3s s LEU 384 Cb 0.14 -3.60 0.01 0.00 0.03 0.00 0.00 46.19 42.76 2f3s s LEU 384 CO 0.83 -0.39 1.02 -1.61 0.23 0.00 0.00 176.35 176.43 2f3s s GLU 385 N -0.14 4.28 -0.36 1.70 2.02 -1.26 -4.80 118.70 120.14 2f3s s GLU 385 Ca 0.53 1.33 -0.00 0.00 0.02 0.00 0.00 54.97 56.85 2f3s s GLU 385 Cb -0.33 -3.62 0.13 0.00 0.10 0.00 0.00 34.13 30.41 2f3s s GLU 385 CO 0.36 -0.57 0.19 1.03 0.02 0.00 0.00 175.26 176.29 2f3s s ARG 386 N 2.99 0.71 0.02 1.61 0.52 -1.26 -1.90 118.95 121.64 2f3s s ARG 386 Ca 0.44 -1.34 -0.29 0.00 -0.52 0.00 0.00 55.73 54.02 2f3s s ARG 386 Cb -0.16 -1.66 -0.04 0.00 0.52 0.00 0.00 34.95 33.62 2f3s s ARG 386 CO 0.08 -1.13 0.93 -1.58 0.02 0.00 0.00 175.30 173.62 2f3s s TRP 387 N 1.13 3.68 0.26 -0.53 0.52 -0.89 -4.70 118.94 118.40 2f3s s TRP 387 Ca 0.15 1.65 -0.31 0.00 0.02 0.00 0.00 56.10 57.61 2f3s s TRP 387 Cb -0.21 -3.05 -0.12 0.00 -1.15 0.00 0.00 33.47 28.93 2f3s s TRP 387 CO -0.09 0.06 1.63 -2.30 0.02 0.00 0.00 176.95 176.27 2f3s n PRO 388 N 3.61 2.66 -0.22 4.98 -0.02 -1.26 -0.52 135.00 144.22 2f3s n PRO 388 Ca 0.04 0.95 0.05 0.00 -2.02 0.00 0.00 63.50 62.52 2f3s n PRO 388 Cb 0.51 -2.75 0.31 0.00 -0.02 0.00 0.00 33.50 31.55 2f3s n PRO 388 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2f3s h VAL 389 N 3.49 1.05 0.00 -1.45 2.07 -1.32 -1.50 116.25 118.59 2f3s h VAL 389 Ca -0.45 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 66.75 2f3s h VAL 389 Cb 1.22 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 2f3s h VAL 389 CO 0.85 0.16 -0.07 1.12 0.02 0.00 0.00 177.57 179.64 2f3s h HIS 390 N 0.86 0.00 -0.00 1.57 2.07 -1.90 0.82 115.15 118.57 2f3s h HIS 390 Ca 0.33 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.85 2f3s h HIS 390 Cb 0.21 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.19 2f3s h HIS 390 CO -0.00 0.07 -0.02 -0.07 -3.07 0.00 0.00 177.93 174.84 2f3s h LEU 391 N 0.00 0.03 -0.92 6.12 3.38 -1.64 -2.94 115.31 119.34 2f3s h LEU 391 Ca -0.00 -0.69 -0.06 0.00 0.09 0.00 0.00 57.88 57.22 2f3s h LEU 391 Cb 0.19 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 2f3s h LEU 391 CO 0.01 0.71 0.12 -0.07 0.09 0.00 0.00 178.44 179.30 2f3s h LEU 392 N -0.66 0.86 -0.91 1.67 3.38 -1.38 -0.88 115.31 117.39 2f3s h LEU 392 Ca -0.00 -0.17 0.08 0.00 0.09 0.00 0.00 57.88 57.88 2f3s h LEU 392 Cb 0.72 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 41.17 2f3s h LEU 392 CO 0.00 0.85 0.56 -0.08 0.09 0.00 0.00 178.44 179.87 2f3s h GLU 393 N 0.87 0.95 0.15 1.13 4.81 -0.89 0.34 114.58 121.94 2f3s h GLU 393 Ca 0.18 -0.06 -0.32 0.00 -0.13 0.00 0.00 59.36 59.03 2f3s h GLU 393 Cb 0.35 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.52 2f3s h GLU 393 CO 0.00 0.63 -1.64 1.15 -0.73 0.00 0.00 179.01 178.42 2f3s h THR 394 N 0.98 0.94 0.24 0.32 2.02 -1.31 -3.29 112.91 112.81 2f3s h THR 394 Ca 0.41 -2.45 -0.34 0.00 0.77 0.00 0.00 66.41 64.80 2f3s h THR 394 Cb 0.27 2.72 0.03 0.00 -1.74 0.00 0.00 68.15 69.43 2f3s h THR 394 CO -0.21 0.80 -1.53 0.25 0.37 0.00 0.00 175.52 175.20 2f3s h LEU 395 N -0.06 0.80 -6.00 2.58 5.85 -1.08 -3.37 115.31 114.03 2f3s h LEU 395 Ca -0.34 -0.91 -0.55 0.00 0.84 0.00 0.00 57.88 56.93 2f3s h LEU 395 Cb 1.96 -0.26 -0.40 0.00 0.37 0.00 0.00 40.66 42.33 2f3s h LEU 395 CO 0.12 1.72 -1.07 0.18 -0.34 0.00 0.00 178.44 179.06 2f3s n LEU 396 N -3.69 0.76 -0.34 2.25 4.77 0.12 -0.62 117.00 120.25 2f3s n LEU 396 Ca -0.18 -4.86 0.11 0.00 -0.03 0.00 0.00 56.01 51.04 2f3s n LEU 396 Cb 1.10 0.51 0.30 0.00 -2.33 0.00 0.00 43.42 43.00 2f3s n LEU 396 CO 0.59 2.13 1.22 1.55 -1.33 0.00 0.00 177.39 181.55 2f3s h PRO 397 N 3.76 0.82 -0.28 3.23 0.13 -1.59 -2.07 132.00 135.98 2f3s h PRO 397 Ca 0.09 -0.05 -0.17 0.00 -0.87 0.00 0.00 66.00 65.01 2f3s h PRO 397 Cb 0.87 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 31.81 2f3s h PRO 397 CO 0.51 0.54 -0.48 -0.09 -0.23 0.00 0.00 178.00 178.25 2f3s h ARG 398 N 0.84 0.77 -0.37 0.86 9.65 -1.91 -2.90 114.38 121.33 2f3s h ARG 398 Ca 0.52 -0.45 -0.08 0.00 -1.10 0.00 0.00 59.98 58.87 2f3s h ARG 398 Cb 0.71 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 29.31 2f3s h ARG 398 CO -0.29 1.08 -0.10 0.45 2.80 0.00 0.00 179.97 183.91 2f3s h HIS 399 N 0.61 0.68 -0.62 2.20 3.86 -1.75 -1.71 115.15 118.42 2f3s h HIS 399 Ca 0.03 -0.11 -0.04 0.00 -1.16 0.00 0.00 60.37 59.09 2f3s h HIS 399 Cb 1.06 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 29.32 2f3s h HIS 399 CO 0.06 0.71 0.23 1.25 0.86 0.00 0.00 177.93 181.04 2f3s h LEU 400 N 0.58 0.88 -0.67 2.43 6.46 -1.36 0.85 115.31 124.48 2f3s h LEU 400 Ca 0.11 -0.18 -0.03 0.00 -0.12 0.00 0.00 57.88 57.66 2f3s h LEU 400 Cb 0.51 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 40.18 2f3s h LEU 400 CO 0.03 0.83 0.32 1.56 -0.62 0.00 0.00 178.44 180.55 2f3s h GLN 401 N 0.88 0.97 -0.48 1.25 4.20 -1.26 -0.90 115.11 119.78 2f3s h GLN 401 Ca 0.21 -0.15 -0.09 0.00 0.06 0.00 0.00 58.65 58.68 2f3s h GLN 401 Cb 0.24 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 2f3s h GLN 401 CO -0.01 0.77 -0.06 0.82 -0.67 0.00 0.00 178.83 179.68 2f3s h ILE 402 N 0.93 1.26 -0.46 2.54 2.04 -0.89 -1.99 117.51 120.94 2f3s h ILE 402 Ca 0.23 -1.13 -0.08 0.00 1.00 0.00 0.00 64.86 64.88 2f3s h ILE 402 Cb 0.13 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 2f3s h ILE 402 CO -0.03 0.39 -0.05 0.40 0.00 0.00 0.00 178.15 178.86 2f3s h ILE 403 N 0.77 1.25 -0.53 -0.67 2.04 -0.34 -0.35 117.51 119.67 2f3s h ILE 403 Ca 0.14 -1.08 -0.08 0.00 1.00 0.00 0.00 64.86 64.83 2f3s h ILE 403 Cb 0.55 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 2f3s h ILE 403 CO 0.03 0.38 0.03 1.88 0.00 0.00 0.00 178.15 180.47 2f3s h TYR 404 N 0.72 1.00 -0.64 1.37 0.05 -0.87 -1.08 116.97 117.52 2f3s h TYR 404 Ca 0.13 -0.16 -0.06 0.00 0.05 0.00 0.00 58.73 58.69 2f3s h TYR 404 Cb 0.52 -0.26 -0.03 0.00 1.01 0.00 0.00 36.73 37.97 2f3s h TYR 404 CO 0.03 0.91 0.17 1.49 -1.05 0.00 0.00 178.16 179.71 2f3s h GLU 405 N 0.80 1.02 -0.33 4.88 4.57 -1.05 -0.52 114.58 123.95 2f3s h GLU 405 Ca 0.15 -0.24 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 2f3s h GLU 405 Cb 0.49 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.93 2f3s h GLU 405 CO 0.02 0.91 0.17 0.82 -1.18 0.00 0.00 179.01 179.76 2f3s h ILE 406 N 0.94 1.14 -0.51 2.32 2.04 -0.88 -2.04 117.51 120.52 2f3s h ILE 406 Ca 0.20 -0.39 0.01 0.00 1.00 0.00 0.00 64.86 65.68 2f3s h ILE 406 Cb 0.34 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 2f3s h ILE 406 CO -0.00 0.15 0.33 -1.13 0.00 0.00 0.00 178.15 177.50 2f3s h ASN 407 N 0.40 0.56 0.00 1.72 -1.24 -0.90 -0.26 115.58 115.87 2f3s h ASN 407 Ca 0.11 -0.01 0.01 0.00 0.71 0.00 0.00 56.30 57.13 2f3s h ASN 407 Cb 0.08 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 38.98 2f3s h ASN 407 CO -0.02 0.41 -0.08 -0.61 -1.29 0.00 0.00 177.43 175.84 2f3s h GLN 408 N 0.67 -0.13 -0.26 6.67 4.15 -0.89 0.90 115.11 126.21 2f3s h GLN 408 Ca 0.19 0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.54 2f3s h GLN 408 Cb -0.05 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 2f3s h GLN 408 CO -0.05 -0.09 -0.20 0.00 -1.93 0.00 0.00 178.83 176.56 2f3s h ARG 409 N -0.14 0.47 -0.12 1.69 3.08 -1.20 -2.04 114.38 116.13 2f3s h ARG 409 Ca 0.03 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 2f3s h ARG 409 Cb 0.17 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 2f3s h ARG 409 CO -0.08 0.66 -0.06 0.35 -1.07 0.00 0.00 179.97 179.77 2f3s h PHE 410 N 0.43 0.29 0.00 3.04 3.57 -0.67 -2.84 116.94 120.76 2f3s h PHE 410 Ca 0.07 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 2f3s h PHE 410 Cb 0.59 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 2f3s h PHE 410 CO 0.02 0.60 -0.18 -0.07 -2.23 0.00 0.00 178.31 176.44 2f3s h LEU 411 N -0.11 0.00 -0.94 0.59 3.38 -0.75 -0.94 115.31 116.53 2f3s h LEU 411 Ca 0.03 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 2f3s h LEU 411 Cb 0.52 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 2f3s h LEU 411 CO 0.02 0.18 -0.17 0.78 0.09 0.00 0.00 178.44 179.35 2f3s h ASN 412 N 0.00 0.58 -0.32 -0.43 -0.26 -1.24 0.42 115.58 114.32 2f3s h ASN 412 Ca -0.00 -0.17 -0.16 0.00 -0.56 0.00 0.00 56.30 55.41 2f3s h ASN 412 Cb 0.41 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.51 2f3s h ASN 412 CO 0.02 0.76 -0.41 0.03 -1.06 0.00 0.00 177.43 176.77 2f3s h ARG 413 N 0.53 0.88 -0.30 0.81 3.08 -0.97 -2.21 114.38 116.20 2f3s h ARG 413 Ca 0.09 -0.48 -0.04 0.00 0.07 0.00 0.00 59.98 59.62 2f3s h ARG 413 Cb 0.59 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 2f3s h ARG 413 CO 0.04 1.12 0.04 0.28 -1.07 0.00 0.00 179.97 180.38 2f3s h VAL 414 N 0.72 1.24 -0.70 2.04 2.07 -0.95 -2.18 116.25 118.49 2f3s h VAL 414 Ca 0.05 -0.83 0.04 0.00 0.82 0.00 0.00 66.70 66.78 2f3s h VAL 414 Cb 1.00 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 2f3s h VAL 414 CO 0.10 0.27 0.46 0.00 0.02 0.00 0.00 177.57 178.42 2f3s h ALA 415 N 0.87 1.62 0.00 1.67 0.00 -0.86 0.65 119.26 123.21 2f3s h ALA 415 Ca 0.09 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 2f3s h ALA 415 Cb 0.36 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2f3s h ALA 415 CO 0.01 0.30 -0.61 0.00 0.00 0.00 0.00 179.25 178.95 2f3s h ALA 416 N 1.60 0.79 0.00 0.00 0.00 -1.20 -2.46 119.26 117.99 2f3s h ALA 416 Ca 0.28 -0.55 -0.22 0.00 0.00 0.00 0.00 54.91 54.42 2f3s h ALA 416 Cb 0.09 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2f3s h ALA 416 CO -0.08 0.76 -1.32 0.00 0.00 0.00 0.00 179.25 178.61 2f3s h ALA 417 N 1.39 0.63 -2.07 0.00 0.00 -0.68 -3.39 119.26 115.15 2f3s h ALA 417 Ca -0.01 -1.05 -0.55 0.00 0.00 0.00 0.00 54.91 53.31 2f3s h ALA 417 Cb 1.23 0.21 -0.40 0.00 0.00 0.00 0.00 17.79 18.84 2f3s h ALA 417 CO 0.08 1.22 -0.99 1.19 0.00 0.00 0.00 179.25 180.74 2f3s n PHE 418 N -3.10 1.00 -1.62 0.00 3.72 0.14 -5.10 117.46 112.50 2f3s n PHE 418 Ca -0.09 -3.79 -0.50 0.00 -0.05 0.00 0.00 57.45 53.02 2f3s n PHE 418 Cb 0.93 -0.42 -0.05 0.00 -0.94 0.00 0.00 39.48 38.99 2f3s n PHE 418 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 2f3s n PRO 419 N 0.79 1.51 0.00 -1.08 -0.02 -0.93 -1.82 135.00 133.46 2f3s n PRO 419 Ca 0.25 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 2f3s n PRO 419 Cb 0.53 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 2f3s n PRO 419 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2f3s n GLY 420 N 2.90 2.54 3.27 -1.23 0.00 -1.26 -4.95 105.19 106.46 2f3s n GLY 420 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 2f3s n GLY 420 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2f3s n ASP 421 N 0.00 4.56 0.15 1.61 4.64 -0.75 -4.77 116.55 121.99 2f3s n ASP 421 Ca 0.00 -2.89 0.03 0.00 -1.38 0.00 0.00 54.79 50.55 2f3s n ASP 421 Cb 0.00 -1.71 0.42 0.00 -1.04 0.00 0.00 41.12 38.79 2f3s n ASP 421 CO 0.00 0.00 0.00 -0.37 -0.82 0.00 0.00 177.20 176.01 2f3s h VAL 422 N 4.97 1.17 -0.05 5.18 -1.51 -1.92 -2.67 116.25 121.42 2f3s h VAL 422 Ca 0.49 -0.76 -0.14 0.00 -1.23 0.00 0.00 66.70 65.05 2f3s h VAL 422 Cb 0.78 1.27 -0.01 0.00 -2.13 0.00 0.00 31.29 31.20 2f3s h VAL 422 CO 1.61 0.23 -0.62 -0.78 -1.23 0.00 0.00 177.57 176.79 2f3s h ASP 423 N 0.15 0.22 -0.70 4.19 3.58 -2.00 -2.84 116.42 119.02 2f3s h ASP 423 Ca 0.03 -0.13 -0.06 0.00 0.42 0.00 0.00 57.03 57.30 2f3s h ASP 423 Cb 0.37 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.33 2f3s h ASP 423 CO 0.02 0.78 0.23 -0.09 -2.88 0.00 0.00 179.24 177.30 2f3s h ARG 424 N 0.14 1.10 -0.52 0.28 2.43 -1.88 -1.00 114.38 114.93 2f3s h ARG 424 Ca -0.01 -0.23 0.02 0.00 -0.81 0.00 0.00 59.98 58.96 2f3s h ARG 424 Cb 1.12 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.47 2f3s h ARG 424 CO 0.09 0.93 0.32 -0.07 -1.51 0.00 0.00 179.97 179.73 2f3s h LEU 425 N 1.06 0.52 -0.75 3.80 3.38 -1.36 0.32 115.31 122.28 2f3s h LEU 425 Ca 0.23 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.07 2f3s h LEU 425 Cb 0.29 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2f3s h LEU 425 CO -0.01 0.37 -0.62 0.08 0.09 0.00 0.00 178.44 178.35 2f3s h ARG 426 N 0.63 0.02 -0.08 1.13 -0.00 -1.28 -2.15 114.38 112.64 2f3s h ARG 426 Ca 0.21 -0.01 -0.17 0.00 -0.00 0.00 0.00 59.98 60.00 2f3s h ARG 426 Cb 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 29.97 2f3s h ARG 426 CO -0.09 0.63 -0.68 0.00 -0.00 0.00 0.00 179.97 179.84 2f3s h ARG 427 N 0.01 0.36 0.00 0.08 3.08 -0.61 -3.26 114.38 114.04 2f3s h ARG 427 Ca -0.01 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 59.77 2f3s h ARG 427 Cb 1.10 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.20 2f3s h ARG 427 CO 0.08 0.91 -0.64 -1.33 -1.07 0.00 0.00 179.97 177.91 2f3s n MET 428 N -3.85 0.10 -1.65 0.04 2.81 0.05 -4.96 117.12 109.66 2f3s n MET 428 Ca -0.04 0.02 -0.40 0.00 -1.81 0.00 0.00 57.70 55.47 2f3s n MET 428 Cb 0.67 -1.55 0.03 0.00 -0.71 0.00 0.00 33.22 31.66 2f3s n MET 428 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2f3s n SER 429 N -1.69 1.60 0.19 7.83 2.88 -0.81 -4.87 113.62 118.75 2f3s n SER 429 Ca 0.04 0.97 0.08 0.00 -1.33 0.00 0.00 58.87 58.63 2f3s n SER 429 Cb 0.37 -1.43 0.19 0.00 -0.75 0.00 0.00 64.21 62.59 2f3s n SER 429 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2f3s h LEU 430 N 1.30 0.00 -8.95 2.46 3.38 -1.91 -3.43 115.31 108.17 2f3s h LEU 430 Ca -0.47 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 56.87 2f3s h LEU 430 Cb 1.33 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.93 2f3s h LEU 430 CO 0.56 0.23 -0.31 -0.69 0.09 0.00 0.00 178.44 178.32 2f3s s VAL 431 N -3.20 5.21 -0.18 1.22 1.01 -1.26 -0.16 120.40 123.03 2f3s s VAL 431 Ca 0.05 0.48 -0.11 0.00 0.00 0.00 0.00 61.98 62.39 2f3s s VAL 431 Cb 0.07 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.75 2f3s s VAL 431 CO 0.69 0.19 0.18 -1.61 0.00 0.00 0.00 175.10 174.54 2f3s s GLU 432 N 1.93 4.18 0.54 2.72 2.02 0.70 -4.97 118.70 125.82 2f3s s GLU 432 Ca 0.13 -0.12 -0.02 0.00 0.02 0.00 0.00 54.97 54.98 2f3s s GLU 432 Cb -0.16 -3.41 0.02 0.00 0.10 0.00 0.00 34.13 30.68 2f3s s GLU 432 CO 0.10 0.30 0.79 -1.21 0.02 0.00 0.00 175.26 175.27 2f3s s GLU 433 N 0.32 2.77 0.00 1.61 8.01 -1.26 -1.86 118.70 128.29 2f3s s GLU 433 Ca 0.11 -0.45 0.00 0.00 0.01 0.00 0.00 54.97 54.64 2f3s s GLU 433 Cb -0.12 -2.43 0.00 0.00 -4.31 0.00 0.00 34.13 27.27 2f3s s GLU 433 CO -0.00 -0.61 0.00 0.41 0.01 0.00 0.00 175.26 175.07 2f3s n GLY 434 N -2.37 0.95 0.41 -1.39 0.00 -1.26 -4.89 105.19 96.65 2f3s n GLY 434 Ca 0.05 -1.85 -0.11 0.00 0.00 0.00 0.00 46.02 44.11 2f3s n GLY 434 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f3s h ALA 435 N 0.00 -0.60 -3.88 4.61 0.00 -2.07 -3.38 119.26 113.95 2f3s h ALA 435 Ca 0.00 0.08 -0.61 0.00 0.00 0.00 0.00 54.91 54.38 2f3s h ALA 435 Cb 0.00 1.29 -0.31 0.00 0.00 0.00 0.00 17.79 18.76 2f3s h ALA 435 CO 0.00 -0.95 -0.85 0.14 0.00 0.00 0.00 179.25 177.58 2f3s s VAL 436 N -5.43 1.65 0.31 0.00 -7.23 -1.26 -5.11 120.40 103.33 2f3s s VAL 436 Ca -0.12 -0.83 -0.29 0.00 -1.81 0.00 0.00 61.98 58.93 2f3s s VAL 436 Cb 0.10 -1.41 -0.10 0.00 0.56 0.00 0.00 36.38 35.53 2f3s s VAL 436 CO 0.59 0.47 1.20 -0.54 -0.31 0.00 0.00 175.10 176.51 2f3s s LYS 437 N 0.02 4.47 0.11 4.82 1.02 -1.26 -4.82 119.74 124.09 2f3s s LYS 437 Ca -0.05 2.01 0.02 0.00 0.02 0.00 0.00 55.97 57.97 2f3s s LYS 437 Cb -0.13 -3.10 -0.04 0.00 -0.52 0.00 0.00 37.83 34.04 2f3s s LYS 437 CO 0.03 -0.01 -0.08 1.03 -0.92 0.00 0.00 175.35 175.40 2f3s s ARG 438 N -1.67 0.87 -0.20 1.68 0.52 -0.78 -0.84 118.95 118.53 2f3s s ARG 438 Ca 0.47 -1.33 -0.05 0.00 -0.52 0.00 0.00 55.73 54.30 2f3s s ARG 438 Cb -0.36 -0.31 -0.03 0.00 0.52 0.00 0.00 34.95 34.78 2f3s s ARG 438 CO 0.47 0.01 0.01 0.42 0.02 0.00 0.00 175.30 176.23 2f3s s ILE 439 N -3.42 4.03 -0.52 1.52 -1.09 0.32 -0.21 121.20 121.83 2f3s s ILE 439 Ca 0.12 -0.28 -0.26 0.00 -2.23 0.00 0.00 60.65 57.99 2f3s s ILE 439 Cb 0.04 -2.83 0.03 0.00 -1.58 0.00 0.00 42.46 38.12 2f3s s ILE 439 CO -0.03 0.42 1.00 0.21 -1.23 0.00 0.00 174.94 175.31 2f3s s ASN 440 N 1.02 6.44 0.42 3.58 3.84 0.77 -2.09 114.94 128.91 2f3s s ASN 440 Ca 0.02 -0.04 0.17 0.00 0.21 0.00 0.00 52.86 53.22 2f3s s ASN 440 Cb -0.14 -2.47 0.93 0.00 -0.55 0.00 0.00 41.25 39.01 2f3s s ASN 440 CO 0.02 -1.22 1.91 0.24 -2.79 0.00 0.00 177.10 175.25 2f3s h MET 441 N 9.28 0.00 -0.53 0.43 2.86 -1.69 -2.49 114.93 122.78 2f3s h MET 441 Ca -0.25 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.27 2f3s h MET 441 Cb 1.07 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.71 2f3s h MET 441 CO 1.09 0.28 -0.14 0.00 1.06 0.00 0.00 176.91 179.20 2f3s h ALA 442 N 1.72 0.76 -0.43 6.32 0.00 -1.91 -0.98 119.26 124.75 2f3s h ALA 442 Ca -0.00 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.46 2f3s h ALA 442 Cb 0.54 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2f3s h ALA 442 CO 0.04 0.67 -0.10 0.45 0.00 0.00 0.00 179.25 180.31 2f3s h HIS 443 N 0.90 0.83 -0.55 0.00 3.86 -1.85 -1.73 115.15 116.60 2f3s h HIS 443 Ca 0.13 -0.14 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 2f3s h HIS 443 Cb 0.71 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.94 2f3s h HIS 443 CO 0.05 0.82 0.25 1.25 0.86 0.00 0.00 177.93 181.16 2f3s h LEU 444 N 0.69 0.73 -0.62 2.43 6.46 -1.14 -2.20 115.31 121.65 2f3s h LEU 444 Ca 0.12 -0.14 -0.06 0.00 -0.12 0.00 0.00 57.88 57.68 2f3s h LEU 444 Cb 0.57 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 40.28 2f3s h LEU 444 CO 0.04 0.67 0.15 0.00 -0.62 0.00 0.00 178.44 178.67 2f3s h ILE 446 N 0.90 1.26 -0.80 0.00 2.04 -1.22 -2.07 117.51 117.62 2f3s h ILE 446 Ca 0.19 -0.98 -0.03 0.00 1.00 0.00 0.00 64.86 65.05 2f3s h ILE 446 Cb 0.36 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 37.70 2f3s h ILE 446 CO 0.00 0.31 0.40 0.00 0.00 0.00 0.00 178.15 178.86 2f3s h ALA 447 N 0.83 1.19 -0.61 1.87 0.00 -1.34 -3.10 119.26 118.10 2f3s h ALA 447 Ca 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2f3s h ALA 447 Cb 0.46 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2f3s h ALA 447 CO 0.02 0.63 0.00 0.41 0.00 0.00 0.00 179.25 180.30 2f3s n GLY 448 N -1.07 2.36 3.34 0.00 0.00 -0.68 -4.93 105.19 104.21 2f3s n GLY 448 Ca 0.08 -0.75 -0.28 0.00 0.00 0.00 0.00 46.02 45.07 2f3s n GLY 448 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2f3s s SER 449 N -0.89 2.99 0.00 1.61 0.01 -0.79 -3.98 113.70 112.66 2f3s s SER 449 Ca 0.46 -0.68 0.26 0.00 1.31 0.00 0.00 55.95 57.30 2f3s s SER 449 Cb 0.28 -0.21 0.66 0.00 0.21 0.00 0.00 66.02 66.96 2f3s s SER 449 CO 0.24 0.16 1.52 0.00 0.41 0.00 0.00 173.24 175.57 2f3s n HIS 450 N 1.23 0.00 -3.77 2.43 1.44 -0.54 -4.85 115.22 111.17 2f3s n HIS 450 Ca -0.18 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.40 2f3s n HIS 450 Cb 0.53 -0.26 -0.11 0.00 0.12 0.00 0.00 29.99 30.26 2f3s n HIS 450 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2f3s s ALA 451 N -2.92 -0.69 -0.07 1.59 0.00 -1.26 -4.54 121.76 113.88 2f3s s ALA 451 Ca 0.14 0.84 0.00 0.00 0.00 0.00 0.00 51.96 52.94 2f3s s ALA 451 Cb 0.18 -0.49 0.02 0.00 0.00 0.00 0.00 23.12 22.83 2f3s s ALA 451 CO 0.65 -0.14 -0.05 0.08 0.00 0.00 0.00 175.76 176.29 2f3s s VAL 452 N 0.32 0.70 0.07 0.00 1.01 0.38 -0.97 120.40 121.92 2f3s s VAL 452 Ca -0.01 -0.16 0.04 0.00 0.00 0.00 0.00 61.98 61.85 2f3s s VAL 452 Cb -0.03 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 2f3s s VAL 452 CO -0.01 0.29 -0.12 0.54 0.00 0.00 0.00 175.10 175.79 2f3s s ASN 453 N 1.30 1.48 0.60 3.32 4.22 -0.63 -0.44 114.94 124.79 2f3s s ASN 453 Ca -0.04 -0.66 0.04 0.00 -2.14 0.00 0.00 52.86 50.06 2f3s s ASN 453 Cb -0.14 -0.02 0.08 0.00 1.28 0.00 0.00 41.25 42.45 2f3s s ASN 453 CO -0.02 -0.15 0.83 -0.83 -2.04 0.00 0.00 177.10 174.89 2f3s s GLY 454 N -1.90 1.79 -0.04 0.45 0.00 -0.93 -1.58 107.32 105.12 2f3s s GLY 454 Ca -0.01 -1.73 0.12 0.00 0.00 0.00 0.00 44.72 43.09 2f3s s GLY 454 CO 0.01 -1.31 1.29 3.33 0.00 0.00 0.00 173.10 176.42 2f3s n VAL 455 N -2.43 1.26 -3.56 1.40 0.24 -1.26 -2.34 118.33 111.64 2f3s n VAL 455 Ca 0.13 -1.17 -0.13 0.00 -2.04 0.00 0.00 64.34 61.12 2f3s n VAL 455 Cb 0.60 0.35 -0.06 0.00 -1.47 0.00 0.00 33.84 33.27 2f3s n VAL 455 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2f3s s ALA 456 N -1.36 -1.88 0.18 2.33 0.00 -1.26 -0.98 121.76 118.78 2f3s s ALA 456 Ca 0.27 1.53 -0.16 0.00 0.00 0.00 0.00 51.96 53.60 2f3s s ALA 456 Cb 0.16 -0.55 0.15 0.00 0.00 0.00 0.00 23.12 22.88 2f3s s ALA 456 CO 0.14 -0.32 1.65 -0.09 0.00 0.00 0.00 175.76 177.13 2f3s h ARG 457 N 2.86 -0.02 -0.44 0.00 2.43 -1.90 0.43 114.38 117.73 2f3s h ARG 457 Ca -0.22 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 58.90 2f3s h ARG 457 Cb 1.16 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.69 2f3s h ARG 457 CO 0.32 -0.01 0.04 0.97 -1.51 0.00 0.00 179.97 179.77 2f3s h ILE 458 N -0.02 1.22 -0.21 1.20 2.10 -1.91 -1.74 117.51 118.15 2f3s h ILE 458 Ca 0.24 -0.85 -0.06 0.00 1.08 0.00 0.00 64.86 65.27 2f3s h ILE 458 Cb 0.38 0.84 -0.01 0.00 -1.09 0.00 0.00 36.82 36.95 2f3s h ILE 458 CO -0.52 0.30 -0.09 -0.74 -1.08 0.00 0.00 178.15 176.02 2f3s h HIS 459 N 0.66 0.50 -0.24 2.19 2.76 -1.50 -1.35 115.15 118.16 2f3s h HIS 459 Ca 0.14 -0.12 -0.05 0.00 -2.20 0.00 0.00 60.37 58.14 2f3s h HIS 459 Cb 0.35 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.18 2f3s h HIS 459 CO 0.02 0.71 -0.06 0.77 -1.30 0.00 0.00 177.93 178.07 2f3s h SER 460 N 0.14 0.34 -0.27 3.26 0.02 -0.77 -0.98 113.55 115.29 2f3s h SER 460 Ca 0.05 -0.06 -0.17 0.00 -0.84 0.00 0.00 61.79 60.76 2f3s h SER 460 Cb 0.58 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.03 2f3s h SER 460 CO 0.03 0.45 -0.49 -0.33 -1.14 0.00 0.00 176.83 175.34 2f3s h GLU 461 N 0.35 0.81 -0.61 3.45 4.39 -1.20 -2.92 114.58 118.86 2f3s h GLU 461 Ca 0.08 -0.51 -0.02 0.00 0.34 0.00 0.00 59.36 59.24 2f3s h GLU 461 Cb 0.33 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 2f3s h GLU 461 CO 0.01 1.14 0.31 0.82 -1.16 0.00 0.00 179.01 180.13 2f3s h ILE 462 N 0.57 1.20 -0.72 3.13 2.04 -0.65 -0.52 117.51 122.56 2f3s h ILE 462 Ca 0.01 -0.53 -0.03 0.00 1.00 0.00 0.00 64.86 65.31 2f3s h ILE 462 Cb 1.10 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 2f3s h ILE 462 CO 0.11 0.23 0.33 -0.07 0.00 0.00 0.00 178.15 178.75 2f3s h LEU 463 N 0.86 0.94 -0.15 1.44 3.38 -1.08 0.13 115.31 120.82 2f3s h LEU 463 Ca 0.21 -0.11 -0.19 0.00 0.09 0.00 0.00 57.88 57.89 2f3s h LEU 463 Cb 0.07 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 2f3s h LEU 463 CO -0.03 0.80 -0.88 0.11 0.09 0.00 0.00 178.44 178.53 2f3s h LYS 464 N 1.03 0.00 0.00 1.13 1.57 -1.18 -0.74 116.57 118.37 2f3s h LYS 464 Ca 0.25 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.86 2f3s h LYS 464 Cb 0.12 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 2f3s h LYS 464 CO -0.03 0.88 -1.24 0.87 -0.57 0.00 0.00 179.45 179.36 2f3s h LYS 465 N 0.00 0.00 0.00 3.15 1.57 -0.84 -3.30 116.57 117.15 2f3s h LYS 465 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2f3s h LYS 465 Cb 1.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.92 2f3s h LYS 465 CO 0.11 0.39 0.00 0.25 -0.57 0.00 0.00 179.45 179.63 2f3s n THR 466 N -2.99 0.00 -0.13 -0.16 -2.24 0.43 -4.72 114.28 104.47 2f3s n THR 466 Ca -0.07 0.00 0.22 0.00 -2.27 0.00 0.00 64.05 61.93 2f3s n THR 466 Cb 0.84 0.00 0.64 0.00 -2.10 0.00 0.00 70.33 69.72 2f3s n THR 466 CO 0.00 0.00 0.00 0.16 -0.57 0.00 0.00 175.07 174.66 2f3s h ILE 467 N 0.00 0.67 -0.11 2.28 3.07 -1.71 -2.04 117.51 119.67 2f3s h ILE 467 Ca 0.00 -0.05 0.00 0.00 1.55 0.00 0.00 64.86 66.36 2f3s h ILE 467 Cb 0.00 0.52 0.00 0.00 -0.27 0.00 0.00 36.82 37.07 2f3s h ILE 467 CO 0.00 0.02 0.00 0.49 -1.05 0.00 0.00 178.15 177.61 2f3s n PHE 468 N -4.38 0.37 -0.21 0.16 0.99 -0.29 -4.78 117.46 109.32 2f3s n PHE 468 Ca 0.15 -0.91 0.02 0.00 -0.00 0.00 0.00 57.45 56.71 2f3s n PHE 468 Cb 0.74 -0.20 0.12 0.00 -1.00 0.00 0.00 39.48 39.14 2f3s n PHE 468 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 2f3s h LYS 469 N 0.75 0.21 -0.89 -1.08 3.64 -1.34 -0.52 116.57 117.34 2f3s h LYS 469 Ca 0.00 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 2f3s h LYS 469 Cb 1.13 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.86 2f3s h LYS 469 CO 0.08 0.14 0.59 -0.44 -2.27 0.00 0.00 179.45 177.55 2f3s h ASP 470 N 0.21 1.02 -0.47 4.20 3.32 -1.86 -1.70 116.42 121.14 2f3s h ASP 470 Ca 0.34 -0.03 -0.14 0.00 0.02 0.00 0.00 57.03 57.23 2f3s h ASP 470 Cb 0.54 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 2f3s h ASP 470 CO -0.47 0.75 -0.24 -0.26 -1.72 0.00 0.00 179.24 177.30 2f3s h PHE 471 N 1.21 1.14 -0.90 4.55 0.04 -1.69 -2.47 116.94 118.82 2f3s h PHE 471 Ca 0.33 -0.29 -0.02 0.00 2.80 0.00 0.00 57.97 60.79 2f3s h PHE 471 Cb -0.13 -0.26 -0.04 0.00 2.20 0.00 0.00 35.95 37.71 2f3s h PHE 471 CO -0.01 1.11 0.50 -0.92 -0.60 0.00 0.00 178.31 178.40 2f3s h TYR 472 N 0.84 1.23 -0.28 -0.55 3.20 -0.80 0.72 116.97 121.32 2f3s h TYR 472 Ca 0.10 -0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.87 2f3s h TYR 472 Cb 0.82 -0.39 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 2f3s h TYR 472 CO 0.06 0.84 -0.17 0.93 -1.64 0.00 0.00 178.16 178.18 2f3s h GLU 473 N 1.26 0.49 0.04 1.82 5.08 -1.12 -0.73 114.58 121.42 2f3s h GLU 473 Ca 0.32 -0.15 -0.21 0.00 -1.00 0.00 0.00 59.36 58.31 2f3s h GLU 473 Cb 0.01 -0.05 0.02 0.00 0.50 0.00 0.00 28.75 29.24 2f3s h GLU 473 CO -0.05 0.64 -0.84 1.25 -1.00 0.00 0.00 179.01 179.01 2f3s h LEU 474 N 0.45 0.67 -6.25 1.33 5.85 -0.96 -3.41 115.31 112.99 2f3s h LEU 474 Ca 0.08 -0.79 -0.58 0.00 0.84 0.00 0.00 57.88 57.42 2f3s h LEU 474 Cb 0.55 -0.21 -0.39 0.00 0.37 0.00 0.00 40.66 40.98 2f3s h LEU 474 CO 0.04 1.38 -0.98 -0.62 -0.34 0.00 0.00 178.44 177.91 2f3s n GLU 475 N -4.06 0.65 -0.04 1.25 1.02 0.20 -4.98 120.64 114.67 2f3s n GLU 475 Ca -0.12 -3.37 0.09 0.00 -0.02 0.00 0.00 57.16 53.74 2f3s n GLU 475 Cb 0.79 -1.56 0.48 0.00 -0.02 0.00 0.00 31.44 31.13 2f3s n GLU 475 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2f3s h PRO 476 N 4.86 0.44 0.00 3.49 0.13 -1.34 -2.72 132.00 136.87 2f3s h PRO 476 Ca 0.18 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.27 2f3s h PRO 476 Cb 0.87 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 31.90 2f3s h PRO 476 CO 0.46 0.29 -0.04 1.12 -0.23 0.00 0.00 178.00 179.60 2f3s h HIS 477 N 0.45 0.00 0.00 1.56 2.07 -1.94 -2.90 115.15 114.39 2f3s h HIS 477 Ca 0.22 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.63 2f3s h HIS 477 Cb 0.31 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.27 2f3s h HIS 477 CO -0.00 0.04 -0.54 0.87 -3.07 0.00 0.00 177.93 175.22 2f3s h LYS 478 N 0.00 0.00 -6.25 5.12 1.57 -1.72 -3.45 116.57 111.84 2f3s h LYS 478 Ca -0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 2f3s h LYS 478 Cb 0.10 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 2f3s h LYS 478 CO 0.00 0.54 0.46 -0.06 -0.57 0.00 0.00 179.45 179.83 2f3s s PHE 479 N -3.77 3.55 0.28 -1.35 0.08 -1.10 -0.47 117.98 115.19 2f3s s PHE 479 Ca -0.02 1.56 0.03 0.00 0.12 0.00 0.00 56.93 58.62 2f3s s PHE 479 Cb 0.13 -3.12 -0.04 0.00 -0.57 0.00 0.00 43.02 39.42 2f3s s PHE 479 CO 0.75 -0.15 0.18 -0.65 -0.10 0.00 0.00 175.22 175.26 2f3s s GLN 480 N 1.67 1.51 0.01 0.44 -0.21 0.42 -4.95 119.66 118.55 2f3s s GLN 480 Ca 0.47 -1.85 0.06 0.00 0.02 0.00 0.00 55.36 54.06 2f3s s GLN 480 Cb -0.19 0.14 -0.02 0.00 1.00 0.00 0.00 33.01 33.94 2f3s s GLN 480 CO 0.20 -0.48 -0.17 1.21 -2.12 0.00 0.00 175.29 173.93 2f3s s ASN 481 N -3.30 2.01 -0.37 5.90 3.84 -1.26 -2.19 114.94 119.56 2f3s s ASN 481 Ca 0.38 -0.39 0.02 0.00 0.21 0.00 0.00 52.86 53.08 2f3s s ASN 481 Cb 0.05 -0.19 0.15 0.00 -0.55 0.00 0.00 41.25 40.71 2f3s s ASN 481 CO 0.19 0.15 0.32 -0.54 -2.79 0.00 0.00 177.10 174.43 2f3s s LYS 482 N -0.76 0.62 0.26 0.43 -0.14 -0.99 -4.93 119.74 114.24 2f3s s LYS 482 Ca 0.06 -1.08 -0.31 0.00 -1.36 0.00 0.00 55.97 53.28 2f3s s LYS 482 Cb -0.07 -0.95 -0.12 0.00 -1.68 0.00 0.00 37.83 35.01 2f3s s LYS 482 CO 0.00 -1.21 1.64 2.41 -0.76 0.00 0.00 175.35 177.44 2f3s n THR 483 N 4.11 0.67 -0.51 2.17 -1.04 -1.26 -4.25 114.28 114.17 2f3s n THR 483 Ca 0.12 -0.17 -0.29 0.00 -2.04 0.00 0.00 64.05 61.67 2f3s n THR 483 Cb 0.42 -1.98 0.24 0.00 -1.82 0.00 0.00 70.33 67.20 2f3s n THR 483 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2f3s n ASN 484 N 2.79 -1.68 -3.44 8.00 5.03 -0.16 -4.66 115.26 121.15 2f3s n ASN 484 Ca 0.11 -0.12 -0.09 0.00 0.87 0.00 0.00 54.58 55.36 2f3s n ASN 484 Cb 0.36 -1.24 -0.01 0.00 -1.02 0.00 0.00 39.78 37.87 2f3s n ASN 484 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2f3s s GLY 485 N -2.35 0.33 0.10 7.41 0.00 -1.26 -4.81 107.32 106.74 2f3s s GLY 485 Ca 0.67 -0.68 0.04 0.00 0.00 0.00 0.00 44.72 44.76 2f3s s GLY 485 CO 0.65 -0.34 -0.11 -0.26 0.00 0.00 0.00 173.10 173.04 2f3s s ILE 486 N -3.19 1.06 -0.10 0.90 -4.36 0.07 -4.49 121.20 111.09 2f3s s ILE 486 Ca 0.16 -1.63 -0.29 0.00 -0.26 0.00 0.00 60.65 58.64 2f3s s ILE 486 Cb -0.04 -1.37 -0.01 0.00 1.25 0.00 0.00 42.46 42.28 2f3s s ILE 486 CO 0.10 -0.49 0.97 0.28 0.24 0.00 0.00 174.94 176.05 2f3s s THR 487 N -2.25 4.81 -1.24 8.37 -1.32 -1.26 -0.79 115.64 121.97 2f3s s THR 487 Ca 0.06 1.98 0.16 0.00 -1.21 0.00 0.00 61.69 62.68 2f3s s THR 487 Cb -0.04 -4.29 0.22 0.00 -1.51 0.00 0.00 72.50 66.88 2f3s s THR 487 CO 0.01 0.03 1.49 -0.81 -2.21 0.00 0.00 174.62 173.13 2f3s n PRO 488 N 4.87 0.13 0.10 7.08 -0.04 -1.26 -1.76 135.00 144.12 2f3s n PRO 488 Ca 0.08 0.17 -0.05 0.00 -0.04 0.00 0.00 63.50 63.66 2f3s n PRO 488 Cb 0.49 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.43 2f3s n PRO 488 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2f3s h ARG 489 N 0.00 -0.29 -0.49 0.54 -0.00 -1.91 -2.74 114.38 109.49 2f3s h ARG 489 Ca 0.00 0.02 -0.13 0.00 -0.50 0.00 0.00 59.98 59.37 2f3s h ARG 489 Cb 0.21 0.07 -0.01 0.00 0.00 0.00 0.00 29.97 30.23 2f3s h ARG 489 CO 0.00 -0.20 -0.19 -0.09 0.00 0.00 0.00 179.97 179.49 2f3s h ARG 490 N -0.74 0.99 -0.64 0.04 2.43 -1.97 0.05 114.38 114.55 2f3s h ARG 490 Ca -0.03 -0.41 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 2f3s h ARG 490 Cb 0.23 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2f3s h ARG 490 CO 0.05 1.08 0.00 0.91 -1.51 0.00 0.00 179.97 180.50 2f3s n TRP 491 N -4.12 0.74 0.00 2.20 7.02 -0.72 -2.78 117.44 119.78 2f3s n TRP 491 Ca 0.00 -0.28 0.00 0.00 -1.02 0.00 0.00 57.50 56.21 2f3s n TRP 491 Cb 0.44 -0.18 0.00 0.00 -2.42 0.00 0.00 31.31 29.15 2f3s n TRP 491 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 2f3s n LEU 492 N 0.33 0.00 -0.04 -0.99 7.94 -1.08 -4.77 117.00 118.39 2f3s n LEU 492 Ca 0.12 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.93 2f3s n LEU 492 Cb 0.52 0.26 -0.03 0.00 0.53 0.00 0.00 43.42 44.71 2f3s n LEU 492 CO 0.12 -0.46 0.86 0.58 -1.11 0.00 0.00 177.39 177.38 2f3s h VAL 493 N 0.00 0.87 0.05 1.96 2.07 -1.26 0.38 116.25 120.31 2f3s h VAL 493 Ca 0.00 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 2f3s h VAL 493 Cb 0.00 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2f3s h VAL 493 CO 0.00 0.01 -0.02 0.25 0.02 0.00 0.00 177.57 177.83 2f3s h LEU 494 N 0.07 -0.05 0.00 2.57 6.46 -1.13 -3.17 115.31 120.05 2f3s h LEU 494 Ca 0.09 -0.47 0.00 0.00 -0.12 0.00 0.00 57.88 57.39 2f3s h LEU 494 Cb 0.11 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.06 2f3s h LEU 494 CO -0.15 0.45 -0.55 0.00 -0.62 0.00 0.00 178.44 177.57 2f3s n ASN 496 N -2.56 0.81 -0.17 0.00 2.85 0.13 -4.85 115.26 111.47 2f3s n ASN 496 Ca 0.02 -2.91 0.04 0.00 -0.11 0.00 0.00 54.58 51.62 2f3s n ASN 496 Cb 0.50 -0.63 0.32 0.00 1.24 0.00 0.00 39.78 41.21 2f3s n ASN 496 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2f3s h PRO 497 N 3.51 0.81 -0.74 1.20 0.13 -1.62 -1.90 132.00 133.39 2f3s h PRO 497 Ca 0.09 -0.05 0.04 0.00 -0.87 0.00 0.00 66.00 65.22 2f3s h PRO 497 Cb 0.90 -0.18 -0.05 0.00 0.13 0.00 0.00 31.00 31.79 2f3s h PRO 497 CO 0.51 0.54 0.45 0.78 -0.23 0.00 0.00 178.00 180.05 2f3s h GLY 498 N 0.83 1.08 1.11 1.56 0.00 -1.91 -0.04 103.07 105.71 2f3s h GLY 498 Ca 0.27 -0.34 -0.21 0.00 0.00 0.00 0.00 47.33 47.05 2f3s h GLY 498 CO -0.07 0.26 -0.76 -2.00 0.00 0.00 0.00 176.54 173.97 2f3s h LEU 499 N 0.87 0.87 -1.38 3.11 5.85 -1.81 -2.82 115.31 120.00 2f3s h LEU 499 Ca 0.31 -0.65 0.02 0.00 0.84 0.00 0.00 57.88 58.40 2f3s h LEU 499 Cb 0.08 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 2f3s h LEU 499 CO -0.14 1.39 0.44 0.00 -0.34 0.00 0.00 178.44 179.78 2f3s h ALA 500 N 0.50 1.59 0.11 1.25 0.00 -1.04 -2.22 119.26 119.45 2f3s h ALA 500 Ca -0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2f3s h ALA 500 Cb 1.40 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2f3s h ALA 500 CO 0.16 0.36 -0.05 1.49 0.00 0.00 0.00 179.25 181.21 2f3s h GLU 501 N 0.84 -0.14 0.00 0.00 4.57 -0.95 -0.87 114.58 118.02 2f3s h GLU 501 Ca 0.25 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.42 2f3s h GLU 501 Cb -0.01 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.61 2f3s h GLU 501 CO -0.06 0.25 -0.11 -0.84 -1.18 0.00 0.00 179.01 177.07 2f3s h ILE 502 N -0.56 0.85 -0.03 2.32 3.07 -1.38 0.28 117.51 122.05 2f3s h ILE 502 Ca -0.01 -0.42 -0.04 0.00 1.55 0.00 0.00 64.86 65.94 2f3s h ILE 502 Cb 0.45 1.24 0.00 0.00 -0.27 0.00 0.00 36.82 38.25 2f3s h ILE 502 CO 0.02 0.11 -0.13 0.40 -1.05 0.00 0.00 178.15 177.51 2f3s h ILE 503 N 0.00 1.48 -0.33 0.16 2.04 -1.34 -3.19 117.51 116.33 2f3s h ILE 503 Ca -0.00 -1.60 0.00 0.00 1.00 0.00 0.00 64.86 64.26 2f3s h ILE 503 Cb 0.23 2.46 -0.02 0.00 -0.74 0.00 0.00 36.82 38.75 2f3s h ILE 503 CO 0.01 0.44 0.21 0.00 0.00 0.00 0.00 178.15 178.81 2f3s h ALA 504 N 0.39 1.75 -0.24 1.87 0.00 -0.51 -1.39 119.26 121.12 2f3s h ALA 504 Ca -0.01 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.93 2f3s h ALA 504 Cb 0.77 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2f3s h ALA 504 CO 0.03 0.23 0.17 0.93 0.00 0.00 0.00 179.25 180.60 2f3s h GLU 505 N 0.45 0.04 0.00 0.00 5.08 -0.95 0.14 114.58 119.35 2f3s h GLU 505 Ca 0.12 -0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.28 2f3s h GLU 505 Cb -0.03 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 2f3s h GLU 505 CO -0.02 0.03 -1.94 0.54 -1.00 0.00 0.00 179.01 176.61 2f3s n ARG 506 N -4.48 1.29 0.00 2.33 1.74 -0.62 -4.71 116.66 112.22 2f3s n ARG 506 Ca 0.02 -0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 2f3s n ARG 506 Cb 0.29 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 2f3s n ARG 506 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 2f3s n ILE 507 N -2.42 0.50 -1.25 0.55 -5.35 -0.64 -5.13 119.36 105.63 2f3s n ILE 507 Ca -0.18 -0.62 0.00 0.00 -0.27 0.00 0.00 62.75 61.67 2f3s n ILE 507 Cb 0.83 0.83 0.00 0.00 -1.74 0.00 0.00 39.64 39.56 2f3s n ILE 507 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2f3s n GLY 508 N -0.25 -2.39 0.22 3.28 0.00 0.50 -4.66 105.19 101.89 2f3s n GLY 508 Ca 0.00 -1.79 0.10 0.00 0.00 0.00 0.00 46.02 44.32 2f3s n GLY 508 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2f3s n GLU 509 N -0.16 1.00 -0.00 1.61 1.02 -1.26 -4.03 120.64 118.82 2f3s n GLU 509 Ca 0.00 -0.46 0.20 0.00 -0.02 0.00 0.00 57.16 56.88 2f3s n GLU 509 Cb 0.00 -1.41 0.69 0.00 -0.02 0.00 0.00 31.44 30.70 2f3s n GLU 509 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2f3s h GLU 510 N 1.10 0.00 0.00 3.49 4.22 -1.96 -2.52 114.58 118.91 2f3s h GLU 510 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.43 2f3s h GLU 510 Cb 0.57 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 2f3s h GLU 510 CO 0.00 0.00 -0.04 0.10 -2.18 0.00 0.00 179.01 176.89 2f3s h TYR 511 N 0.00 0.00 -0.23 0.92 -0.00 -1.80 -2.60 116.97 113.26 2f3s h TYR 511 Ca 0.26 0.00 0.07 0.00 -0.00 0.00 0.00 58.73 59.05 2f3s h TYR 511 Cb 1.03 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.75 2f3s h TYR 511 CO 0.00 0.04 0.20 0.82 -0.00 0.00 0.00 178.16 179.22 2f3s h ILE 512 N 0.00 0.67 -0.01 -0.90 2.04 -1.81 -0.61 117.51 116.90 2f3s h ILE 512 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2f3s h ILE 512 Cb 0.09 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 2f3s h ILE 512 CO 0.01 0.00 0.00 -1.54 0.00 0.00 0.00 178.15 176.62 2f3s n SER 513 N -4.14 2.09 -2.86 1.72 3.41 -1.01 -4.69 113.62 108.14 2f3s n SER 513 Ca 0.03 -2.18 -0.12 0.00 -0.26 0.00 0.00 58.87 56.34 2f3s n SER 513 Cb 0.34 -0.08 0.02 0.00 -0.26 0.00 0.00 64.21 64.23 2f3s n SER 513 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2f3s n ASP 514 N -0.62 -2.15 0.28 4.04 4.64 -0.46 -5.02 116.55 117.26 2f3s n ASP 514 Ca 0.03 -3.14 0.18 0.00 -1.38 0.00 0.00 54.79 50.48 2f3s n ASP 514 Cb 0.32 1.21 0.93 0.00 -1.04 0.00 0.00 41.12 42.54 2f3s n ASP 514 CO 0.00 0.00 0.00 0.25 -0.82 0.00 0.00 177.20 176.63 2f3s h LEU 515 N 4.03 0.00 -2.52 -2.67 5.85 -1.45 -1.77 115.31 116.78 2f3s h LEU 515 Ca -0.09 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.64 2f3s h LEU 515 Cb 0.99 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.02 2f3s h LEU 515 CO 0.36 0.00 0.05 0.44 -0.34 0.00 0.00 178.44 178.95 2f3s h ASP 516 N 0.00 0.00 0.19 1.25 3.32 -1.85 -1.54 116.42 117.80 2f3s h ASP 516 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2f3s h ASP 516 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 2f3s h ASP 516 CO -0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 2f3s n GLN 517 N -3.64 0.10 0.26 3.56 6.02 -0.67 -1.98 117.38 121.03 2f3s n GLN 517 Ca -0.02 0.52 0.18 0.00 -0.01 0.00 0.00 57.00 57.67 2f3s n GLN 517 Cb 0.14 -1.79 0.86 0.00 1.02 0.00 0.00 30.24 30.47 2f3s n GLN 517 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2f3s h LEU 518 N 0.00 0.00 -2.56 1.08 3.38 -1.51 -1.69 115.31 114.01 2f3s h LEU 518 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2f3s h LEU 518 Cb 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2f3s h LEU 518 CO 0.00 0.00 0.01 0.03 0.09 0.00 0.00 178.44 178.57 2f3s h ARG 519 N 0.00 0.00 0.00 1.13 3.08 -0.95 0.19 114.38 117.83 2f3s h ARG 519 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2f3s h ARG 519 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2f3s h ARG 519 CO 0.00 0.00 0.00 0.87 -1.07 0.00 0.00 179.97 179.77 2f3s h LYS 520 N 0.00 0.00 0.00 0.04 1.57 -1.55 -1.82 116.57 114.81 2f3s h LYS 520 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2f3s h LYS 520 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2f3s h LYS 520 CO -0.00 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.16 2f3s n LEU 521 N -2.46 0.45 0.24 2.94 4.77 0.05 -2.94 117.00 120.06 2f3s n LEU 521 Ca -0.00 0.58 0.08 0.00 -0.03 0.00 0.00 56.01 56.64 2f3s n LEU 521 Cb 0.14 -0.49 0.61 0.00 -2.33 0.00 0.00 43.42 41.35 2f3s n LEU 521 CO 0.17 -0.32 0.97 -0.07 -1.33 0.00 0.00 177.39 176.80 2f3s h LEU 522 N 0.00 0.00 0.00 2.23 4.07 -1.51 -1.23 115.31 118.88 2f3s h LEU 522 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2f3s h LEU 522 Cb 0.44 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.18 2f3s h LEU 522 CO 0.00 0.12 0.00 -1.54 -1.08 0.00 0.00 178.44 175.94 2f3s n SER 523 N -4.19 0.00 -0.18 -0.43 3.41 -1.15 -2.73 113.62 108.35 2f3s n SER 523 Ca -0.02 -1.32 0.02 0.00 -0.26 0.00 0.00 58.87 57.28 2f3s n SER 523 Cb 0.20 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.18 2f3s n SER 523 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2f3s n TYR 524 N -0.77 0.06 0.28 7.33 4.01 -0.46 -4.68 117.16 122.92 2f3s n TYR 524 Ca 0.12 -0.18 0.18 0.00 -0.16 0.00 0.00 57.90 57.85 2f3s n TYR 524 Cb 0.05 -0.02 0.96 0.00 -0.31 0.00 0.00 39.34 40.03 2f3s n TYR 524 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 2f3s h VAL 525 N 0.72 0.33 -0.15 -0.72 3.04 -1.54 0.16 116.25 118.09 2f3s h VAL 525 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2f3s h VAL 525 Cb 0.31 0.92 0.00 0.00 -2.01 0.00 0.00 31.29 30.51 2f3s h VAL 525 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.03 2f3s n ASP 526 N -3.55 2.42 -4.59 3.17 10.43 -1.26 -4.86 116.55 118.30 2f3s n ASP 526 Ca -0.01 -1.69 -0.43 0.00 2.57 0.00 0.00 54.79 55.23 2f3s n ASP 526 Cb 0.19 -0.09 -0.02 0.00 1.84 0.00 0.00 41.12 43.03 2f3s n ASP 526 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 2f3s s ASP 527 N -1.05 6.44 0.44 -2.24 3.68 0.04 -4.90 116.67 119.09 2f3s s ASP 527 Ca 0.19 0.51 0.15 0.00 2.13 0.00 0.00 52.55 55.54 2f3s s ASP 527 Cb 0.12 -2.55 1.07 0.00 -1.45 0.00 0.00 42.92 40.12 2f3s s ASP 527 CO 0.17 -1.40 1.97 -0.08 0.13 0.00 0.00 175.17 175.95 2f3s h GLU 528 N 10.00 0.35 -0.01 4.34 4.57 -1.92 -0.77 114.58 131.14 2f3s h GLU 528 Ca -0.25 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 57.90 2f3s h GLU 528 Cb 1.08 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.59 2f3s h GLU 528 CO 1.13 0.23 -0.01 0.00 -1.18 0.00 0.00 179.01 179.19 2f3s h ALA 529 N 1.69 0.02 -0.44 2.92 0.00 -1.94 -2.60 119.26 118.91 2f3s h ALA 529 Ca 0.29 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2f3s h ALA 529 Cb 0.66 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2f3s h ALA 529 CO -0.08 -0.26 0.25 0.35 0.00 0.00 0.00 179.25 179.52 2f3s h PHE 530 N -0.39 0.59 -0.82 0.00 -0.00 -1.73 -1.12 116.94 113.47 2f3s h PHE 530 Ca 0.00 -0.01 0.11 0.00 -0.00 0.00 0.00 57.97 58.07 2f3s h PHE 530 Cb 0.44 -0.19 -0.08 0.00 -0.00 0.00 0.00 35.95 36.12 2f3s h PHE 530 CO 0.07 0.44 0.45 0.82 -0.00 0.00 0.00 178.31 180.10 2f3s h ILE 531 N 0.58 0.85 -0.35 1.41 2.04 -1.19 0.96 117.51 121.80 2f3s h ILE 531 Ca 0.16 -0.25 -0.15 0.00 1.00 0.00 0.00 64.86 65.61 2f3s h ILE 531 Cb 0.03 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.16 2f3s h ILE 531 CO -0.03 0.13 -0.38 -0.09 0.00 0.00 0.00 178.15 177.79 2f3s h ARG 532 N 0.73 0.84 -0.40 2.37 2.43 -1.04 -2.40 114.38 116.91 2f3s h ARG 532 Ca 0.41 -0.43 -0.10 0.00 -0.81 0.00 0.00 59.98 59.05 2f3s h ARG 532 Cb 0.45 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 2f3s h ARG 532 CO -0.28 1.07 -0.15 -0.44 -1.51 0.00 0.00 179.97 178.66 2f3s h ASP 533 N 0.69 0.83 -0.23 -3.80 3.32 -0.24 -0.88 116.42 116.10 2f3s h ASP 533 Ca 0.06 -0.39 -0.00 0.00 0.02 0.00 0.00 57.03 56.72 2f3s h ASP 533 Cb 0.94 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 2f3s h ASP 533 CO 0.09 1.03 0.14 0.58 -1.72 0.00 0.00 179.24 179.35 2f3s h VAL 534 N 0.62 1.10 -0.37 -1.35 2.07 -0.83 -1.00 116.25 116.49 2f3s h VAL 534 Ca 0.09 -0.25 -0.05 0.00 0.82 0.00 0.00 66.70 67.31 2f3s h VAL 534 Cb 0.70 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 2f3s h VAL 534 CO 0.05 0.10 -0.00 0.00 0.02 0.00 0.00 177.57 177.73 2f3s h ALA 535 N 1.03 1.31 -0.38 1.67 0.00 -1.37 -2.53 119.26 119.01 2f3s h ALA 535 Ca 0.08 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 2f3s h ALA 535 Cb 0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2f3s h ALA 535 CO -0.01 0.47 -0.27 -0.22 0.00 0.00 0.00 179.25 179.22 2f3s h LYS 536 N 0.55 0.85 -0.65 0.00 3.64 -0.83 -1.82 116.57 118.32 2f3s h LYS 536 Ca 0.12 -0.41 -0.01 0.00 -1.27 0.00 0.00 60.65 59.08 2f3s h LYS 536 Cb 0.36 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 2f3s h LYS 536 CO 0.01 1.05 0.38 0.28 -2.27 0.00 0.00 179.45 178.90 2f3s h VAL 537 N 0.65 1.19 -0.39 2.00 2.07 -0.97 -0.38 116.25 120.41 2f3s h VAL 537 Ca 0.07 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 2f3s h VAL 537 Cb 0.84 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 2f3s h VAL 537 CO 0.07 0.20 0.16 0.50 0.02 0.00 0.00 177.57 178.53 2f3s h LYS 538 N 0.88 0.59 -0.89 1.57 1.63 -1.38 -1.02 116.57 117.94 2f3s h LYS 538 Ca 0.23 -0.10 -0.01 0.00 -0.85 0.00 0.00 60.65 59.91 2f3s h LYS 538 Cb -0.01 -0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 31.49 2f3s h LYS 538 CO -0.04 0.55 0.50 0.37 -3.45 0.00 0.00 179.45 177.38 2f3s h GLN 539 N 0.49 1.23 -0.68 1.90 5.75 -0.95 -0.55 115.11 122.31 2f3s h GLN 539 Ca 0.13 -0.14 -0.06 0.00 -0.15 0.00 0.00 58.65 58.43 2f3s h GLN 539 Cb 0.18 -0.24 -0.03 0.00 1.07 0.00 0.00 27.48 28.46 2f3s h GLN 539 CO -0.01 0.89 0.18 0.93 -2.65 0.00 0.00 178.83 178.17 2f3s h GLU 540 N 1.24 1.08 -0.72 1.69 5.08 -0.80 -1.10 114.58 121.05 2f3s h GLU 540 Ca 0.31 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 58.35 2f3s h GLU 540 Cb 0.01 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 2f3s h GLU 540 CO -0.05 0.95 0.19 -0.91 -1.00 0.00 0.00 179.01 178.19 2f3s h ASN 541 N 1.01 1.08 -0.55 1.42 2.35 -0.59 -1.19 115.58 119.11 2f3s h ASN 541 Ca 0.21 -0.23 -0.09 0.00 -0.55 0.00 0.00 56.30 55.64 2f3s h ASN 541 Cb 0.35 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 2f3s h ASN 541 CO 0.00 1.03 -0.01 0.11 -1.65 0.00 0.00 177.43 176.91 2f3s h LYS 542 N 1.08 1.00 -0.31 0.81 1.57 -0.85 -0.87 116.57 119.01 2f3s h LYS 542 Ca 0.23 -0.31 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 2f3s h LYS 542 Cb 0.36 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 2f3s h LYS 542 CO 0.00 0.99 0.10 -0.07 -0.57 0.00 0.00 179.45 179.90 2f3s h LEU 543 N 0.92 0.45 -0.52 2.94 3.38 -0.94 0.19 115.31 121.72 2f3s h LEU 543 Ca 0.16 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2f3s h LEU 543 Cb 0.55 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2f3s h LEU 543 CO 0.03 0.53 0.32 0.50 0.09 0.00 0.00 178.44 179.91 2f3s h LYS 544 N 0.34 0.70 -0.29 1.13 3.64 -1.03 -1.13 116.57 119.92 2f3s h LYS 544 Ca 0.10 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.27 2f3s h LYS 544 Cb 0.24 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 2f3s h LYS 544 CO -0.00 0.49 -0.43 0.35 -2.27 0.00 0.00 179.45 177.59 2f3s h PHE 545 N 0.70 0.88 -0.62 1.91 3.57 -0.97 -1.69 116.94 120.72 2f3s h PHE 545 Ca 0.19 -0.27 -0.01 0.00 3.53 0.00 0.00 57.97 61.41 2f3s h PHE 545 Cb -0.03 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.49 2f3s h PHE 545 CO -0.03 1.03 0.34 0.00 -2.23 0.00 0.00 178.31 177.41 2f3s h ALA 546 N 0.93 1.43 -0.32 2.41 0.00 -0.32 -1.48 119.26 121.91 2f3s h ALA 546 Ca 0.04 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 2f3s h ALA 546 Cb 0.98 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2f3s h ALA 546 CO 0.09 0.47 -0.48 0.00 0.00 0.00 0.00 179.25 179.33 2f3s h ALA 547 N 1.52 0.49 -0.79 0.00 0.00 -0.98 -3.15 119.26 116.35 2f3s h ALA 547 Ca 0.22 -0.49 0.03 0.00 0.00 0.00 0.00 54.91 54.67 2f3s h ALA 547 Cb 0.02 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 2f3s h ALA 547 CO -0.04 0.66 0.50 -0.92 0.00 0.00 0.00 179.25 179.46 2f3s h TYR 548 N 0.69 0.94 -0.73 0.00 5.03 -0.49 -1.22 116.97 121.19 2f3s h TYR 548 Ca 0.03 0.02 0.06 0.00 2.58 0.00 0.00 58.73 61.43 2f3s h TYR 548 Cb 1.08 -0.31 -0.05 0.00 1.55 0.00 0.00 36.73 39.01 2f3s h TYR 548 CO 0.07 0.55 0.48 -0.07 -1.32 0.00 0.00 178.16 177.87 2f3s h LEU 549 N 0.98 0.68 0.14 2.82 3.38 -1.26 -1.89 115.31 120.16 2f3s h LEU 549 Ca 0.31 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.99 2f3s h LEU 549 Cb 0.00 -0.14 0.02 0.00 0.09 0.00 0.00 40.66 40.63 2f3s h LEU 549 CO -0.11 0.44 -1.29 -0.33 0.09 0.00 0.00 178.44 177.24 2f3s h GLU 550 N 0.77 0.43 0.23 1.13 5.08 -1.44 -0.84 114.58 119.94 2f3s h GLU 550 Ca 0.31 -0.68 -0.01 0.00 -1.00 0.00 0.00 59.36 57.98 2f3s h GLU 550 Cb 0.24 0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2f3s h GLU 550 CO -0.10 1.31 -0.12 0.00 -1.00 0.00 0.00 179.01 179.10 2f3s h ARG 551 N 0.15 -0.30 -0.00 2.33 3.08 -0.63 -0.32 114.38 118.68 2f3s h ARG 551 Ca -0.18 0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.89 2f3s h ARG 551 Cb 1.99 0.07 0.00 0.00 0.08 0.00 0.00 29.97 32.11 2f3s h ARG 551 CO 0.23 -0.20 -0.30 0.39 -1.07 0.00 0.00 179.97 179.02 2f3s n GLU 552 N -2.89 0.45 0.00 0.04 4.71 -0.77 -4.34 120.64 117.84 2f3s n GLU 552 Ca -0.04 -0.23 0.00 0.00 -0.01 0.00 0.00 57.16 56.88 2f3s n GLU 552 Cb 0.13 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.06 2f3s n GLU 552 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2f3s n TYR 553 N -1.08 0.00 -3.40 -0.32 4.01 -0.78 -5.07 117.16 110.52 2f3s n TYR 553 Ca 0.10 -0.03 -0.22 0.00 -0.16 0.00 0.00 57.90 57.59 2f3s n TYR 553 Cb 0.33 -0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.36 2f3s n TYR 553 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2f3s n LYS 554 N -0.03 -1.28 -3.73 -0.72 4.76 -0.13 -4.83 118.16 112.20 2f3s n LYS 554 Ca 0.00 0.70 -0.13 0.00 -2.87 0.00 0.00 58.31 56.00 2f3s n LYS 554 Cb 0.43 -1.69 -0.14 0.00 -1.84 0.00 0.00 35.03 31.80 2f3s n LYS 554 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2f3s s VAL 555 N -2.40 -0.07 -0.02 -0.18 -7.23 -1.07 -4.91 120.40 104.52 2f3s s VAL 555 Ca 0.07 0.18 -0.17 0.00 -1.81 0.00 0.00 61.98 60.25 2f3s s VAL 555 Cb -0.01 -0.30 -0.05 0.00 0.56 0.00 0.00 36.38 36.58 2f3s s VAL 555 CO 0.70 0.07 0.48 -1.00 -0.31 0.00 0.00 175.10 175.04 2f3s s HIS 556 N 1.29 3.68 0.01 2.82 3.76 -1.26 -3.50 115.29 122.09 2f3s s HIS 556 Ca -0.08 1.04 -0.09 0.00 -0.15 0.00 0.00 55.06 55.78 2f3s s HIS 556 Cb -0.11 -2.44 0.00 0.00 1.11 0.00 0.00 32.58 31.14 2f3s s HIS 556 CO -0.07 0.46 0.17 0.96 -0.85 0.00 0.00 174.74 175.42 2f3s s ILE 557 N -0.50 0.09 -0.49 0.60 -4.36 -1.26 -5.12 121.20 110.16 2f3s s ILE 557 Ca 0.26 -0.74 -0.23 0.00 -0.26 0.00 0.00 60.65 59.68 2f3s s ILE 557 Cb -0.17 -0.59 0.03 0.00 1.25 0.00 0.00 42.46 42.98 2f3s s ILE 557 CO 0.14 -0.40 0.84 0.21 0.24 0.00 0.00 174.94 175.97 2f3s s ASN 558 N -1.58 6.37 0.32 4.36 2.47 -1.26 -4.92 114.94 120.70 2f3s s ASN 558 Ca -0.12 -0.26 0.21 0.00 0.42 0.00 0.00 52.86 53.12 2f3s s ASN 558 Cb -0.05 -2.40 1.17 0.00 -1.45 0.00 0.00 41.25 38.51 2f3s s ASN 558 CO 0.00 -1.04 1.66 -2.65 -3.72 0.00 0.00 177.10 171.35 2f3s n PRO 559 N 6.99 0.14 0.04 0.43 -0.02 -1.26 -1.57 135.00 139.74 2f3s n PRO 559 Ca 0.02 0.64 0.12 0.00 -2.02 0.00 0.00 63.50 62.26 2f3s n PRO 559 Cb 0.48 -1.96 0.27 0.00 -0.02 0.00 0.00 33.50 32.26 2f3s n PRO 559 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2f3s n ASN 560 N -2.26 0.55 -4.84 2.55 5.03 -1.26 -4.90 115.26 110.13 2f3s n ASN 560 Ca -0.01 0.07 -0.30 0.00 0.87 0.00 0.00 54.58 55.21 2f3s n ASN 560 Cb 0.04 0.05 0.08 0.00 -1.02 0.00 0.00 39.78 38.92 2f3s n ASN 560 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 2f3s s SER 561 N -3.67 4.79 -0.06 6.41 1.04 -0.61 -4.95 113.70 116.66 2f3s s SER 561 Ca 0.09 1.16 -0.30 0.00 0.48 0.00 0.00 55.95 57.39 2f3s s SER 561 Cb 0.15 -1.89 -0.02 0.00 0.10 0.00 0.00 66.02 64.36 2f3s s SER 561 CO 0.68 -1.76 1.07 -0.22 0.98 0.00 0.00 173.24 173.99 2f3s s LEU 562 N -5.62 4.29 -0.62 2.42 0.20 0.10 -4.81 118.68 114.64 2f3s s LEU 562 Ca 0.60 1.66 -0.23 0.00 0.69 0.00 0.00 54.13 56.86 2f3s s LEU 562 Cb -0.13 -3.56 0.06 0.00 -0.43 0.00 0.00 46.19 42.13 2f3s s LEU 562 CO 0.53 -0.45 0.95 -0.36 -0.29 0.00 0.00 176.35 176.73 2f3s s PHE 563 N 1.80 2.72 -0.47 5.38 2.99 -1.26 -0.78 117.98 128.35 2f3s s PHE 563 Ca 0.52 -0.40 -0.17 0.00 0.00 0.00 0.00 56.93 56.88 2f3s s PHE 563 Cb -0.21 -4.20 0.05 0.00 0.00 0.00 0.00 43.02 38.66 2f3s s PHE 563 CO 0.22 -1.55 0.48 0.34 -0.00 0.00 0.00 175.22 174.71 2f3s s ASP 564 N 3.41 6.18 0.01 1.36 3.68 -0.18 -1.43 116.67 129.70 2f3s s ASP 564 Ca 0.24 -1.02 0.05 0.00 2.13 0.00 0.00 52.55 53.95 2f3s s ASP 564 Cb -0.16 -2.23 -0.02 0.00 -1.45 0.00 0.00 42.92 39.07 2f3s s ASP 564 CO 0.13 -0.71 -0.17 0.68 0.13 0.00 0.00 175.17 175.23 2f3s s VAL 565 N 2.09 1.33 -0.28 1.11 -7.23 -0.72 0.38 120.40 117.09 2f3s s VAL 565 Ca 0.10 -0.88 -0.02 0.00 -1.81 0.00 0.00 61.98 59.37 2f3s s VAL 565 Cb -0.21 -1.14 0.09 0.00 0.56 0.00 0.00 36.38 35.68 2f3s s VAL 565 CO 0.10 0.25 0.09 -1.58 -0.31 0.00 0.00 175.10 173.64 2f3s s GLN 566 N -0.73 0.63 -0.12 4.82 0.74 0.13 -2.06 119.66 123.07 2f3s s GLN 566 Ca 0.05 -0.84 0.02 0.00 0.05 0.00 0.00 55.36 54.65 2f3s s GLN 566 Cb -0.07 -1.89 0.01 0.00 1.10 0.00 0.00 33.01 32.16 2f3s s GLN 566 CO 0.00 -0.91 -0.18 0.14 -0.55 0.00 0.00 175.29 173.80 2f3s s VAL 567 N 1.75 1.72 0.00 1.34 -7.23 -1.26 -1.76 120.40 114.95 2f3s s VAL 567 Ca 0.07 -0.77 0.00 0.00 -1.81 0.00 0.00 61.98 59.47 2f3s s VAL 567 Cb -0.17 -1.54 0.00 0.00 0.56 0.00 0.00 36.38 35.23 2f3s s VAL 567 CO -0.23 0.48 0.00 2.29 -0.31 0.00 0.00 175.10 177.33 2f3s n LYS 568 N 4.16 0.00 -1.71 4.82 2.85 -0.85 -4.99 118.16 122.45 2f3s n LYS 568 Ca -0.19 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.68 2f3s n LYS 568 Cb 0.51 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 34.93 2f3s n LYS 568 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2f3s n ARG 569 N -0.27 1.60 -2.54 -1.58 5.12 -1.26 -3.97 116.66 113.76 2f3s n ARG 569 Ca 0.00 0.58 -0.43 0.00 -1.93 0.00 0.00 57.85 56.08 2f3s n ARG 569 Cb 0.00 -2.44 -0.02 0.00 -1.16 0.00 0.00 32.46 28.84 2f3s n ARG 569 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2f3s s ILE 570 N -1.30 4.48 -0.07 0.55 -1.09 -0.37 -4.89 121.20 118.51 2f3s s ILE 570 Ca 0.69 1.79 -0.20 0.00 -2.23 0.00 0.00 60.65 60.70 2f3s s ILE 570 Cb -0.45 -4.15 0.04 0.00 -1.58 0.00 0.00 42.46 36.33 2f3s s ILE 570 CO 0.51 -0.13 0.47 -2.28 -1.23 0.00 0.00 174.94 172.28 2f3s s HIS 571 N 3.12 -0.42 0.35 3.97 2.46 -1.26 -4.70 115.29 118.82 2f3s s HIS 571 Ca 0.50 0.79 0.03 0.00 0.47 0.00 0.00 55.06 56.85 2f3s s HIS 571 Cb -0.19 0.21 0.64 0.00 -0.13 0.00 0.00 32.58 33.12 2f3s s HIS 571 CO 0.12 -0.42 1.99 0.93 -2.47 0.00 0.00 174.74 174.89 2f3s h GLU 572 N 3.98 0.78 0.00 2.88 5.08 -1.97 -2.44 114.58 122.90 2f3s h GLU 572 Ca -0.28 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 57.94 2f3s h GLU 572 Cb 1.17 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 2f3s h GLU 572 CO 0.35 0.54 -0.37 0.10 -1.00 0.00 0.00 179.01 178.63 2f3s h TYR 573 N 0.79 0.00 0.00 4.33 -0.00 -1.97 -2.09 116.97 118.03 2f3s h TYR 573 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.94 2f3s h TYR 573 Cb -0.04 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.69 2f3s h TYR 573 CO 0.00 0.37 0.00 1.63 -0.00 0.00 0.00 178.16 180.16 2f3s n LYS 574 N -3.81 0.13 -3.71 0.10 5.02 -0.93 -2.86 118.16 112.10 2f3s n LYS 574 Ca -0.01 0.23 -0.22 0.00 -2.02 0.00 0.00 58.31 56.28 2f3s n LYS 574 Cb 0.44 -1.69 0.04 0.00 -0.02 0.00 0.00 35.03 33.80 2f3s n LYS 574 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2f3s n ARG 575 N -1.92 -5.20 0.30 1.97 1.74 -0.79 -4.01 116.66 108.75 2f3s n ARG 575 Ca 0.05 0.64 0.17 0.00 -0.77 0.00 0.00 57.85 57.93 2f3s n ARG 575 Cb 0.30 -5.29 0.97 0.00 -1.02 0.00 0.00 32.46 27.42 2f3s n ARG 575 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2f3s h GLN 576 N -1.93 0.00 -0.33 5.56 7.50 -1.84 -0.86 115.11 123.22 2f3s h GLN 576 Ca -0.60 0.00 -0.06 0.00 0.50 0.00 0.00 58.65 58.48 2f3s h GLN 576 Cb 1.36 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.87 2f3s h GLN 576 CO 0.57 0.01 -0.06 -0.07 -1.50 0.00 0.00 178.83 177.79 2f3s h LEU 577 N 0.00 0.51 -0.64 1.46 3.38 -1.91 -1.07 115.31 117.05 2f3s h LEU 577 Ca -0.00 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 2f3s h LEU 577 Cb 0.05 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2f3s h LEU 577 CO 0.00 0.62 0.03 0.25 0.09 0.00 0.00 178.44 179.43 2f3s h LEU 578 N 0.50 1.07 -0.45 1.67 5.85 -1.53 -1.43 115.31 120.99 2f3s h LEU 578 Ca 0.10 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 2f3s h LEU 578 Cb 0.41 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2f3s h LEU 578 CO 0.02 1.10 0.26 -1.13 -0.34 0.00 0.00 178.44 178.34 2f3s h ASN 579 N 1.00 0.55 -0.92 1.25 -0.00 -1.38 -2.22 115.58 113.87 2f3s h ASN 579 Ca 0.18 -0.08 0.06 0.00 -0.00 0.00 0.00 56.30 56.47 2f3s h ASN 579 Cb 0.53 -0.14 -0.06 0.00 -0.00 0.00 0.00 38.32 38.65 2f3s h ASN 579 CO 0.03 0.47 0.58 0.00 -0.00 0.00 0.00 177.43 178.50 2f3s h LEU 581 N 1.06 1.11 -0.35 0.00 3.38 -0.79 -1.44 115.31 118.28 2f3s h LEU 581 Ca 0.40 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 58.18 2f3s h LEU 581 Cb 0.17 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2f3s h LEU 581 CO -0.17 0.94 0.03 -0.74 0.09 0.00 0.00 178.44 178.59 2f3s h HIS 582 N 1.20 0.64 -0.38 1.13 2.76 -0.76 -1.46 115.15 118.28 2f3s h HIS 582 Ca 0.29 -0.10 0.05 0.00 -2.20 0.00 0.00 60.37 58.41 2f3s h HIS 582 Cb 0.14 -0.17 -0.05 0.00 1.55 0.00 0.00 27.41 28.88 2f3s h HIS 582 CO 0.02 0.68 0.10 0.28 -1.30 0.00 0.00 177.93 177.71 2f3s h VAL 583 N 0.42 0.84 -0.35 5.26 2.07 -0.89 0.15 116.25 123.75 2f3s h VAL 583 Ca 0.10 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 2f3s h VAL 583 Cb 0.40 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 2f3s h VAL 583 CO 0.01 0.04 0.03 0.40 0.02 0.00 0.00 177.57 178.08 2f3s h ILE 584 N 0.24 1.19 -0.46 4.57 2.04 -1.15 -1.21 117.51 122.73 2f3s h ILE 584 Ca 0.18 -0.72 -0.04 0.00 1.00 0.00 0.00 64.86 65.28 2f3s h ILE 584 Cb 0.19 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 2f3s h ILE 584 CO -0.21 0.25 0.13 0.74 0.00 0.00 0.00 178.15 179.06 2f3s h THR 585 N 0.52 1.23 -0.70 -0.27 2.02 -0.17 0.20 112.91 115.74 2f3s h THR 585 Ca 0.12 -0.79 -0.03 0.00 0.77 0.00 0.00 66.41 66.48 2f3s h THR 585 Cb 0.29 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 2f3s h THR 585 CO 0.01 0.28 0.34 -0.07 0.37 0.00 0.00 175.52 176.44 2f3s h LEU 586 N 0.61 0.91 -0.36 2.58 4.07 -0.45 -0.84 115.31 121.83 2f3s h LEU 586 Ca 0.15 -0.13 -0.04 0.00 0.08 0.00 0.00 57.88 57.94 2f3s h LEU 586 Cb 0.30 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.79 2f3s h LEU 586 CO -0.00 0.79 0.08 0.22 -1.08 0.00 0.00 178.44 178.44 2f3s h TYR 587 N 0.97 0.62 -0.46 1.13 5.03 -0.95 -2.10 116.97 121.21 2f3s h TYR 587 Ca 0.24 -0.08 -0.07 0.00 2.58 0.00 0.00 58.73 61.40 2f3s h TYR 587 Cb 0.12 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.20 2f3s h TYR 587 CO 0.01 0.63 -0.01 -0.91 -1.32 0.00 0.00 178.16 176.55 2f3s h ASN 588 N 0.44 0.74 -0.36 -2.11 2.35 -0.71 -1.56 115.58 114.37 2f3s h ASN 588 Ca 0.11 -0.18 -0.09 0.00 -0.55 0.00 0.00 56.30 55.59 2f3s h ASN 588 Cb 0.33 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 2f3s h ASN 588 CO 0.00 0.82 -0.07 0.03 -1.65 0.00 0.00 177.43 176.56 2f3s h ARG 589 N 0.72 0.78 -0.23 0.81 3.08 -1.02 -1.10 114.38 117.42 2f3s h ARG 589 Ca 0.14 -0.24 -0.06 0.00 0.07 0.00 0.00 59.98 59.89 2f3s h ARG 589 Cb 0.46 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 2f3s h ARG 589 CO 0.02 0.84 -0.08 0.82 -1.07 0.00 0.00 179.97 180.50 2f3s h ILE 590 N 0.72 1.29 0.00 2.04 2.04 -1.06 -1.80 117.51 120.74 2f3s h ILE 590 Ca 0.13 -1.10 -0.02 0.00 1.00 0.00 0.00 64.86 64.87 2f3s h ILE 590 Cb 0.54 1.53 -0.00 0.00 -0.74 0.00 0.00 36.82 38.15 2f3s h ILE 590 CO 0.03 0.34 -0.08 0.11 0.00 0.00 0.00 178.15 178.55 2f3s h LYS 591 N 0.19 0.00 -0.03 2.37 1.79 -1.12 0.11 116.57 119.88 2f3s h LYS 591 Ca 0.06 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.37 2f3s h LYS 591 Cb 0.55 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.21 2f3s h LYS 591 CO 0.03 0.08 -0.61 -0.22 -1.08 0.00 0.00 179.45 177.65 2f3s h LYS 592 N 0.00 0.46 -2.38 3.15 3.64 -0.94 -3.38 116.57 117.12 2f3s h LYS 592 Ca -0.00 -0.46 -0.59 0.00 -1.27 0.00 0.00 60.65 58.33 2f3s h LYS 592 Cb 0.16 0.12 -0.40 0.00 -0.41 0.00 0.00 32.23 31.70 2f3s h LYS 592 CO 0.01 1.11 -0.82 0.39 -2.27 0.00 0.00 179.45 177.86 2f3s n GLU 593 N -4.20 1.31 -0.25 1.90 1.02 -0.70 -4.99 120.64 114.73 2f3s n GLU 593 Ca -0.10 -3.87 0.05 0.00 -0.02 0.00 0.00 57.16 53.22 2f3s n GLU 593 Cb 0.67 -1.83 0.19 0.00 -0.02 0.00 0.00 31.44 30.44 2f3s n GLU 593 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 2f3s h PRO 594 N 4.74 0.40 -0.86 3.49 0.11 -1.00 -2.36 132.00 136.52 2f3s h PRO 594 Ca 0.17 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.17 2f3s h PRO 594 Cb 0.80 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 31.77 2f3s h PRO 594 CO 0.60 0.26 0.10 0.09 -0.21 0.00 0.00 178.00 178.84 2f3s n ASN 595 N -5.03 3.37 -4.88 -2.05 4.13 -1.26 -4.84 115.26 104.69 2f3s n ASN 595 Ca 0.14 -2.57 -0.36 0.00 1.68 0.00 0.00 54.58 53.47 2f3s n ASN 595 Cb 0.42 -0.62 -0.06 0.00 -1.54 0.00 0.00 39.78 37.99 2f3s n ASN 595 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 2f3s s LYS 596 N -1.80 3.46 0.23 3.52 2.36 -0.89 -5.08 119.74 121.55 2f3s s LYS 596 Ca 0.28 -0.14 -0.30 0.00 -2.55 0.00 0.00 55.97 53.26 2f3s s LYS 596 Cb 0.22 -3.17 -0.09 0.00 -1.05 0.00 0.00 37.83 33.74 2f3s s LYS 596 CO 0.07 0.76 0.98 0.12 1.55 0.00 0.00 175.35 178.83 2f3s s PHE 597 N -1.09 3.86 -0.03 4.03 5.36 -1.26 -5.05 117.98 123.80 2f3s s PHE 597 Ca 0.18 1.84 -0.05 0.00 -0.96 0.00 0.00 56.93 57.95 2f3s s PHE 597 Cb -0.12 -3.07 0.01 0.00 -0.34 0.00 0.00 43.02 39.50 2f3s s PHE 597 CO 0.07 0.17 0.12 0.14 -1.46 0.00 0.00 175.22 174.25 2f3s s VAL 598 N -1.00 0.02 0.10 3.12 -7.23 -1.26 -5.11 120.40 109.04 2f3s s VAL 598 Ca 0.43 -0.18 -0.31 0.00 -1.81 0.00 0.00 61.98 60.11 2f3s s VAL 598 Cb -0.27 -0.23 -0.10 0.00 0.56 0.00 0.00 36.38 36.34 2f3s s VAL 598 CO 0.34 -0.10 1.76 -0.69 -0.31 0.00 0.00 175.10 176.10 2f3s s VAL 599 N -0.29 2.74 0.35 1.32 1.01 -1.26 -4.92 120.40 119.34 2f3s s VAL 599 Ca -0.04 0.22 -0.28 0.00 0.00 0.00 0.00 61.98 61.88 2f3s s VAL 599 Cb -0.03 -3.14 -0.11 0.00 0.00 0.00 0.00 36.38 33.11 2f3s s VAL 599 CO 0.00 -0.00 1.38 -2.84 0.00 0.00 0.00 175.10 173.64 2f3s s PRO 600 N 2.74 4.26 0.03 2.72 0.02 -1.26 -4.93 135.00 138.58 2f3s s PRO 600 Ca 0.78 2.36 0.02 0.00 0.02 0.00 0.00 61.00 64.18 2f3s s PRO 600 Cb -0.43 -3.03 -0.02 0.00 0.02 0.00 0.00 34.50 31.03 2f3s s PRO 600 CO 0.35 -0.33 -0.07 1.03 -0.33 0.00 0.00 177.00 177.65 2f3s s ARG 601 N -1.87 0.48 -0.27 5.54 0.52 -0.65 -0.72 118.95 121.98 2f3s s ARG 601 Ca 0.51 -0.68 0.03 0.00 -0.52 0.00 0.00 55.73 55.07 2f3s s ARG 601 Cb -0.42 -0.23 0.07 0.00 0.52 0.00 0.00 34.95 34.88 2f3s s ARG 601 CO 0.57 0.04 -0.07 0.99 0.02 0.00 0.00 175.30 176.84 2f3s s THR 602 N -1.27 2.08 -0.30 0.02 2.01 0.04 -2.23 115.64 115.99 2f3s s THR 602 Ca -0.10 -1.69 -0.17 0.00 0.31 0.00 0.00 61.69 60.04 2f3s s THR 602 Cb -0.09 -2.27 -0.02 0.00 0.01 0.00 0.00 72.50 70.13 2f3s s THR 602 CO 0.00 -0.14 0.48 -0.69 -0.69 0.00 0.00 174.62 173.58 2f3s s VAL 603 N 1.12 5.07 -0.16 3.82 1.01 0.78 -1.02 120.40 131.02 2f3s s VAL 603 Ca -0.05 0.60 -0.01 0.00 0.00 0.00 0.00 61.98 62.52 2f3s s VAL 603 Cb -0.20 -3.85 -0.00 0.00 0.00 0.00 0.00 36.38 32.33 2f3s s VAL 603 CO -0.06 -0.01 -0.13 -0.04 0.00 0.00 0.00 175.10 174.86 2f3s s MET 604 N 2.29 3.27 -0.06 2.72 -1.94 0.16 -0.82 119.30 124.92 2f3s s MET 604 Ca 0.19 -0.72 0.03 0.00 -1.71 0.00 0.00 55.69 53.48 2f3s s MET 604 Cb -0.16 -2.70 0.01 0.00 2.01 0.00 0.00 34.83 33.99 2f3s s MET 604 CO 0.11 0.00 -0.14 0.42 -0.01 0.00 0.00 175.02 175.40 2f3s s ILE 605 N 0.87 1.24 0.07 2.53 1.01 -0.49 -0.69 121.20 125.74 2f3s s ILE 605 Ca -0.04 -0.57 -0.13 0.00 0.00 0.00 0.00 60.65 59.91 2f3s s ILE 605 Cb -0.15 -1.10 0.02 0.00 0.01 0.00 0.00 42.46 41.24 2f3s s ILE 605 CO -0.00 0.37 0.31 -0.83 0.00 0.00 0.00 174.94 174.79 2f3s s GLY 606 N 0.41 -0.12 0.00 6.18 0.00 -0.72 -0.28 107.32 112.79 2f3s s GLY 606 Ca -0.11 -0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.50 2f3s s GLY 606 CO 0.03 -0.33 0.00 0.61 0.00 0.00 0.00 173.10 173.41 2f3s n GLY 607 N 0.28 3.80 3.92 0.20 0.00 -1.25 -2.00 105.19 110.13 2f3s n GLY 607 Ca -0.17 -1.00 -0.29 0.00 0.00 0.00 0.00 46.02 44.55 2f3s n GLY 607 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f3s s LYS 608 N -2.55 3.51 -0.04 1.61 1.02 -1.26 -4.64 119.74 117.39 2f3s s LYS 608 Ca 0.00 -0.34 0.02 0.00 0.02 0.00 0.00 55.97 55.67 2f3s s LYS 608 Cb 0.00 -2.91 -0.03 0.00 -0.52 0.00 0.00 37.83 34.37 2f3s s LYS 608 CO 0.00 0.48 -0.08 0.00 -0.92 0.00 0.00 175.35 174.83 2f3s s ALA 609 N -1.72 2.92 0.35 5.17 0.00 -1.26 -1.24 121.76 125.99 2f3s s ALA 609 Ca 0.38 -0.95 -0.29 0.00 0.00 0.00 0.00 51.96 51.10 2f3s s ALA 609 Cb -0.12 -1.14 -0.11 0.00 0.00 0.00 0.00 23.12 21.75 2f3s s ALA 609 CO 0.28 0.58 1.52 0.00 0.00 0.00 0.00 175.76 178.14 2f3s s ALA 610 N -0.85 3.63 0.42 0.00 0.00 -1.26 -4.87 121.76 118.83 2f3s s ALA 610 Ca 0.14 1.58 0.20 0.00 0.00 0.00 0.00 51.96 53.88 2f3s s ALA 610 Cb -0.11 -3.62 1.15 0.00 0.00 0.00 0.00 23.12 20.54 2f3s s ALA 610 CO 0.03 -1.04 1.78 -1.35 0.00 0.00 0.00 175.76 175.19 2f3s h PRO 611 N 3.57 0.34 -0.72 0.00 0.11 -1.99 -1.59 132.00 131.72 2f3s h PRO 611 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2f3s h PRO 611 Cb 1.23 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2f3s h PRO 611 CO 0.69 0.22 0.00 0.41 -0.21 0.00 0.00 178.00 179.11 2f3s n GLY 612 N -1.51 2.55 3.38 -0.55 0.00 -1.26 -4.78 105.19 103.02 2f3s n GLY 612 Ca 0.25 -0.81 -0.46 0.00 0.00 0.00 0.00 46.02 45.00 2f3s n GLY 612 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2f3s s TYR 613 N -1.15 3.63 0.15 1.61 6.04 -0.60 -4.93 117.35 122.10 2f3s s TYR 613 Ca 0.50 -1.94 -0.21 0.00 0.04 0.00 0.00 57.07 55.46 2f3s s TYR 613 Cb 0.27 -4.00 0.03 0.00 -1.04 0.00 0.00 41.96 37.22 2f3s s TYR 613 CO 0.32 -1.16 1.64 1.25 -1.54 0.00 0.00 175.55 176.06 2f3s h HIS 614 N 7.86 -0.52 -0.98 4.97 -0.00 -1.86 -2.20 115.15 122.42 2f3s h HIS 614 Ca 0.15 0.04 0.07 0.00 -0.00 0.00 0.00 60.37 60.62 2f3s h HIS 614 Cb 1.00 0.27 -0.07 0.00 -0.00 0.00 0.00 27.41 28.61 2f3s h HIS 614 CO 1.04 -0.28 0.63 1.98 -0.00 0.00 0.00 177.93 181.30 2f3s h MET 615 N -0.20 1.11 -0.78 5.26 1.85 -1.98 -0.89 114.93 119.30 2f3s h MET 615 Ca 0.14 -0.07 -0.04 0.00 -0.61 0.00 0.00 59.70 59.12 2f3s h MET 615 Cb 0.41 -0.25 -0.04 0.00 0.43 0.00 0.00 31.60 32.15 2f3s h MET 615 CO -0.37 0.73 0.33 0.00 -0.40 0.00 0.00 176.91 177.21 2f3s h ALA 616 N 1.45 1.11 -0.05 0.39 0.00 -1.79 -1.11 119.26 119.27 2f3s h ALA 616 Ca 0.42 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 2f3s h ALA 616 Cb 0.17 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2f3s h ALA 616 CO -0.17 0.64 -0.45 0.87 0.00 0.00 0.00 179.25 180.14 2f3s h LYS 617 N 1.13 0.11 -0.05 0.00 1.57 -0.71 -2.67 116.57 115.95 2f3s h LYS 617 Ca 0.26 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.87 2f3s h LYS 617 Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 2f3s h LYS 617 CO -0.03 0.54 -0.53 0.52 -0.57 0.00 0.00 179.45 179.38 2f3s h MET 618 N 0.09 0.14 -0.22 3.15 2.86 -0.40 -2.57 114.93 117.97 2f3s h MET 618 Ca 0.00 -0.09 -0.13 0.00 -2.06 0.00 0.00 59.70 57.43 2f3s h MET 618 Cb 0.84 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.50 2f3s h MET 618 CO 0.06 0.64 -0.40 0.82 1.06 0.00 0.00 176.91 179.10 2f3s h ILE 619 N 0.11 1.30 -0.31 -1.22 2.04 -0.92 -1.05 117.51 117.46 2f3s h ILE 619 Ca -0.00 -1.55 -0.06 0.00 1.00 0.00 0.00 64.86 64.25 2f3s h ILE 619 Cb 0.98 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.61 2f3s h ILE 619 CO 0.08 0.49 -0.03 0.40 0.00 0.00 0.00 178.15 179.08 2f3s h ILE 620 N 0.43 1.27 -0.91 -0.67 2.04 -1.31 -1.61 117.51 116.74 2f3s h ILE 620 Ca 0.04 -1.02 -0.01 0.00 1.00 0.00 0.00 64.86 64.87 2f3s h ILE 620 Cb 0.88 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 38.22 2f3s h ILE 620 CO 0.08 0.33 0.52 0.50 0.00 0.00 0.00 178.15 179.57 2f3s h LYS 621 N 0.36 1.26 -0.58 2.37 1.63 -1.28 -2.03 116.57 118.29 2f3s h LYS 621 Ca 0.09 -0.14 -0.02 0.00 -0.85 0.00 0.00 60.65 59.73 2f3s h LYS 621 Cb 0.49 -0.25 -0.03 0.00 -0.60 0.00 0.00 32.23 31.84 2f3s h LYS 621 CO 0.02 0.90 0.27 1.25 -3.45 0.00 0.00 179.45 178.45 2f3s h LEU 622 N 1.27 0.77 -0.21 5.20 6.46 -0.99 -0.13 115.31 127.68 2f3s h LEU 622 Ca 0.32 -0.14 -0.00 0.00 -0.12 0.00 0.00 57.88 57.94 2f3s h LEU 622 Cb -0.00 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 39.72 2f3s h LEU 622 CO -0.06 0.70 0.13 0.40 -0.62 0.00 0.00 178.44 178.99 2f3s h ILE 623 N 0.80 1.08 -0.35 4.05 2.04 -0.79 -0.13 117.51 124.20 2f3s h ILE 623 Ca 0.20 -0.18 -0.09 0.00 1.00 0.00 0.00 64.86 65.79 2f3s h ILE 623 Cb 0.14 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 2f3s h ILE 623 CO -0.02 0.07 -0.16 0.71 0.00 0.00 0.00 178.15 178.75 2f3s h THR 624 N 0.27 1.26 -0.80 -0.27 1.35 -1.25 -2.01 112.91 111.45 2f3s h THR 624 Ca 0.08 -1.18 -0.02 0.00 -0.55 0.00 0.00 66.41 64.74 2f3s h THR 624 Cb 0.01 1.16 -0.04 0.00 -1.73 0.00 0.00 68.15 67.55 2f3s h THR 624 CO -0.02 0.39 0.44 0.00 -0.25 0.00 0.00 175.52 176.08 2f3s h ALA 625 N 1.25 1.03 -0.57 6.62 0.00 -0.53 0.64 119.26 127.69 2f3s h ALA 625 Ca 0.10 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2f3s h ALA 625 Cb 0.60 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2f3s h ALA 625 CO 0.04 0.54 0.15 0.82 0.00 0.00 0.00 179.25 180.80 2f3s h ILE 626 N 1.12 1.25 -0.75 0.00 2.04 -0.77 -2.69 117.51 117.70 2f3s h ILE 626 Ca 0.28 -0.87 -0.02 0.00 1.00 0.00 0.00 64.86 65.25 2f3s h ILE 626 Cb 0.04 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 2f3s h ILE 626 CO -0.04 0.32 0.41 1.23 0.00 0.00 0.00 178.15 180.06 2f3s h GLY 627 N 0.81 1.13 0.89 5.37 0.00 -0.65 0.74 103.07 111.36 2f3s h GLY 627 Ca 0.18 -0.52 0.09 0.00 0.00 0.00 0.00 47.33 47.08 2f3s h GLY 627 CO 0.00 0.50 0.50 -0.55 0.00 0.00 0.00 176.54 176.98 2f3s h ASP 628 N 1.04 0.62 0.00 0.19 3.45 -0.58 0.85 116.42 121.99 2f3s h ASP 628 Ca 0.26 0.01 -0.07 0.00 0.43 0.00 0.00 57.03 57.67 2f3s h ASP 628 Cb 0.04 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 38.69 2f3s h ASP 628 CO -0.04 0.38 -0.40 0.58 -1.57 0.00 0.00 179.24 178.19 2f3s h VAL 629 N 0.69 1.31 -0.38 -1.35 2.07 -1.18 -3.35 116.25 114.07 2f3s h VAL 629 Ca 0.35 -2.13 -0.03 0.00 0.82 0.00 0.00 66.70 65.70 2f3s h VAL 629 Cb 0.43 2.63 -0.02 0.00 -1.52 0.00 0.00 31.29 32.81 2f3s h VAL 629 CO -0.13 0.44 0.10 0.58 0.02 0.00 0.00 177.57 178.59 2f3s h VAL 630 N -1.00 1.22 0.00 2.57 2.07 -0.75 -3.05 116.25 117.32 2f3s h VAL 630 Ca -0.10 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.68 2f3s h VAL 630 Cb 0.99 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 2f3s h VAL 630 CO -0.06 0.25 0.00 0.59 0.02 0.00 0.00 177.57 178.37 2f3s n ASN 631 N -4.60 0.40 -0.32 0.57 3.02 0.28 -2.98 115.26 111.63 2f3s n ASN 631 Ca -0.01 0.60 0.04 0.00 -0.03 0.00 0.00 54.58 55.18 2f3s n ASN 631 Cb 0.19 -0.68 0.10 0.00 -0.61 0.00 0.00 39.78 38.78 2f3s n ASN 631 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2f3s n HIS 632 N -1.94 0.26 -3.01 3.10 8.25 -1.18 -4.95 115.22 115.75 2f3s n HIS 632 Ca 0.03 -0.61 -0.43 0.00 -0.26 0.00 0.00 57.72 56.45 2f3s n HIS 632 Cb 0.21 -0.09 -0.06 0.00 1.12 0.00 0.00 29.99 31.18 2f3s n HIS 632 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2f3s s ASP 633 N -1.36 6.39 0.30 0.41 -1.08 -1.16 -4.94 116.67 115.24 2f3s s ASP 633 Ca 0.17 -0.15 0.06 0.00 -0.52 0.00 0.00 52.55 52.11 2f3s s ASP 633 Cb 0.12 -2.36 0.76 0.00 -1.46 0.00 0.00 42.92 39.97 2f3s s ASP 633 CO 0.07 -0.86 1.76 -0.65 0.52 0.00 0.00 175.17 176.01 2f3s h PRO 634 N 8.91 0.68 -0.31 4.34 0.11 -1.92 -1.40 132.00 142.41 2f3s h PRO 634 Ca -0.25 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.79 2f3s h PRO 634 Cb 1.09 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 2f3s h PRO 634 CO 0.93 0.45 0.04 0.28 -0.21 0.00 0.00 178.00 179.50 2f3s h VAL 635 N 0.71 1.16 -0.23 3.15 2.07 -1.98 -2.73 116.25 118.41 2f3s h VAL 635 Ca 0.59 -0.60 -0.18 0.00 0.82 0.00 0.00 66.70 67.32 2f3s h VAL 635 Cb 0.96 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.62 2f3s h VAL 635 CO -0.41 0.21 -0.59 0.58 0.02 0.00 0.00 177.57 177.39 2f3s h VAL 636 N 0.44 1.30 0.00 2.57 2.07 -1.60 -3.48 116.25 117.54 2f3s h VAL 636 Ca 0.10 -1.81 0.00 0.00 0.82 0.00 0.00 66.70 65.82 2f3s h VAL 636 Cb 0.23 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 2f3s h VAL 636 CO 0.00 0.58 0.00 0.61 0.02 0.00 0.00 177.57 178.78 2f3s n GLY 637 N 0.38 2.45 1.85 2.17 0.00 -1.03 -2.31 105.19 108.69 2f3s n GLY 637 Ca -0.04 -0.42 -0.07 0.00 0.00 0.00 0.00 46.02 45.49 2f3s n GLY 637 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2f3s n ASP 638 N 3.30 4.34 0.11 1.61 5.75 -1.26 -4.38 116.55 126.02 2f3s n ASP 638 Ca 0.00 -3.33 0.06 0.00 -0.01 0.00 0.00 54.79 51.51 2f3s n ASP 638 Cb 0.00 -0.73 0.01 0.00 -1.03 0.00 0.00 41.12 39.37 2f3s n ASP 638 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 2f3s h ARG 639 N 2.16 0.00 -2.79 0.11 3.08 -1.80 -3.44 114.38 111.69 2f3s h ARG 639 Ca 0.30 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.19 2f3s h ARG 639 Cb 2.27 0.00 -0.29 0.00 0.08 0.00 0.00 29.97 32.03 2f3s h ARG 639 CO 0.71 0.24 -0.41 -1.17 -1.07 0.00 0.00 179.97 178.27 2f3s s LEU 640 N -5.97 -0.01 -0.01 3.04 2.96 -1.26 -1.63 118.68 115.81 2f3s s LEU 640 Ca 0.02 0.73 0.02 0.00 -0.22 0.00 0.00 54.13 54.68 2f3s s LEU 640 Cb 0.08 1.04 -0.01 0.00 0.50 0.00 0.00 46.19 47.80 2f3s s LEU 640 CO 0.76 -0.19 -0.07 -0.13 -1.32 0.00 0.00 176.35 175.39 2f3s s ARG 641 N 1.63 0.61 -0.23 1.98 1.81 -0.95 -4.65 118.95 119.16 2f3s s ARG 641 Ca -0.07 -0.26 0.01 0.00 -1.72 0.00 0.00 55.73 53.69 2f3s s ARG 641 Cb -0.10 -0.59 0.06 0.00 -0.45 0.00 0.00 34.95 33.87 2f3s s ARG 641 CO -0.11 0.15 -0.07 0.08 -0.68 0.00 0.00 175.30 174.68 2f3s s VAL 642 N -0.15 1.68 -0.06 3.52 1.01 -1.26 -0.16 120.40 124.98 2f3s s VAL 642 Ca 0.03 -1.28 0.05 0.00 0.00 0.00 0.00 61.98 60.78 2f3s s VAL 642 Cb -0.03 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 2f3s s VAL 642 CO -0.00 -0.05 -0.20 -0.63 0.00 0.00 0.00 175.10 174.22 2f3s s ILE 643 N 1.33 2.48 -0.31 2.22 1.09 0.00 -4.52 121.20 123.49 2f3s s ILE 643 Ca -0.06 -0.92 -0.11 0.00 -1.10 0.00 0.00 60.65 58.46 2f3s s ILE 643 Cb -0.19 -1.94 -0.03 0.00 -1.06 0.00 0.00 42.46 39.25 2f3s s ILE 643 CO -0.06 0.57 0.20 0.12 -0.10 0.00 0.00 174.94 175.67 2f3s s PHE 644 N -0.31 3.21 -0.52 3.97 2.19 -1.26 -1.40 117.98 123.85 2f3s s PHE 644 Ca 0.01 -0.19 -0.28 0.00 0.33 0.00 0.00 56.93 56.80 2f3s s PHE 644 Cb -0.13 -2.41 0.02 0.00 -1.31 0.00 0.00 43.02 39.19 2f3s s PHE 644 CO 0.02 -0.31 1.34 -0.51 1.83 0.00 0.00 175.22 177.59 2f3s s LEU 645 N 1.71 3.48 0.40 6.12 1.02 0.62 -4.95 118.68 127.06 2f3s s LEU 645 Ca 0.06 0.39 -0.25 0.00 0.02 0.00 0.00 54.13 54.34 2f3s s LEU 645 Cb -0.17 -3.24 -0.08 0.00 0.02 0.00 0.00 46.19 42.72 2f3s s LEU 645 CO 0.09 -1.56 1.19 -0.70 0.02 0.00 0.00 176.35 175.39 2f3s s GLU 646 N 5.16 4.05 -1.41 1.70 2.12 -1.26 -3.99 118.70 125.07 2f3s s GLU 646 Ca 0.52 1.88 -0.04 0.00 0.36 0.00 0.00 54.97 57.69 2f3s s GLU 646 Cb -0.10 -2.70 0.03 0.00 0.26 0.00 0.00 34.13 31.62 2f3s s GLU 646 CO 0.28 -0.33 0.70 -1.71 -0.54 0.00 0.00 175.26 173.65 2f3s n ASN 647 N 0.10 -1.92 -4.68 -1.70 5.15 -1.25 -4.89 115.26 106.08 2f3s n ASN 647 Ca 0.04 -0.87 -0.45 0.00 -0.60 0.00 0.00 54.58 52.70 2f3s n ASN 647 Cb 0.46 -3.68 -0.04 0.00 -0.53 0.00 0.00 39.78 35.99 2f3s n ASN 647 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2f3s n TYR 648 N -4.41 2.42 -3.89 1.20 9.36 -1.26 -4.87 117.16 115.71 2f3s n TYR 648 Ca -0.20 0.17 -0.10 0.00 3.32 0.00 0.00 57.90 61.09 2f3s n TYR 648 Cb 0.63 -2.59 0.00 0.00 -0.63 0.00 0.00 39.34 36.75 2f3s n TYR 648 CO 0.00 0.00 0.00 -0.98 0.22 0.00 0.00 176.86 176.10 2f3s s ARG 649 N 1.27 2.12 0.15 2.98 1.70 -1.26 -4.73 118.95 121.18 2f3s s ARG 649 Ca 0.79 -1.50 -0.18 0.00 -0.47 0.00 0.00 55.73 54.37 2f3s s ARG 649 Cb -0.63 0.57 0.05 0.00 -0.57 0.00 0.00 34.95 34.38 2f3s s ARG 649 CO 0.37 -0.96 1.69 0.28 -1.08 0.00 0.00 175.30 175.60 2f3s h VAL 650 N 2.03 0.69 -0.30 4.99 2.07 -1.96 -0.01 116.25 123.76 2f3s h VAL 650 Ca -0.30 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 2f3s h VAL 650 Cb 1.25 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 2f3s h VAL 650 CO 0.39 0.00 0.15 0.77 0.02 0.00 0.00 177.57 178.91 2f3s h SER 651 N 0.02 0.37 0.32 0.57 4.64 -1.97 -1.63 113.55 115.88 2f3s h SER 651 Ca 0.16 -0.02 -0.20 0.00 -0.47 0.00 0.00 61.79 61.26 2f3s h SER 651 Cb 0.24 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2f3s h SER 651 CO -0.32 0.31 -0.83 0.25 -0.87 0.00 0.00 176.83 175.38 2f3s h LEU 652 N 0.42 0.48 -1.03 5.97 5.85 -1.68 -3.11 115.31 122.21 2f3s h LEU 652 Ca 0.11 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.49 2f3s h LEU 652 Cb 0.04 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.88 2f3s h LEU 652 CO -0.02 1.11 0.60 0.00 -0.34 0.00 0.00 178.44 179.80 2f3s h ALA 653 N 0.87 1.28 0.00 1.25 0.00 -0.14 -0.85 119.26 121.67 2f3s h ALA 653 Ca -0.05 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2f3s h ALA 653 Cb 1.43 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2f3s h ALA 653 CO 0.14 0.64 0.00 0.93 0.00 0.00 0.00 179.25 180.96 2f3s h GLU 654 N 1.29 0.00 0.01 0.00 5.08 -1.28 -1.84 114.58 117.85 2f3s h GLU 654 Ca 0.34 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.36 2f3s h GLU 654 Cb -0.11 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.09 2f3s h GLU 654 CO -0.07 0.00 -1.88 1.63 -1.00 0.00 0.00 179.01 177.69 2f3s n LYS 655 N -3.07 0.60 0.07 2.33 5.02 -0.46 -4.49 118.16 118.16 2f3s n LYS 655 Ca -0.02 0.40 -0.13 0.00 -2.02 0.00 0.00 58.31 56.55 2f3s n LYS 655 Cb 0.16 -1.64 -0.04 0.00 -0.02 0.00 0.00 35.03 33.49 2f3s n LYS 655 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 2f3s h VAL 656 N -0.80 1.41 -0.45 -0.18 3.04 -1.17 -3.33 116.25 114.77 2f3s h VAL 656 Ca -0.50 -2.47 -0.00 0.00 -1.01 0.00 0.00 66.70 62.72 2f3s h VAL 656 Cb 1.54 2.43 -0.02 0.00 -2.01 0.00 0.00 31.29 33.23 2f3s h VAL 656 CO -0.24 0.74 0.27 0.40 -1.01 0.00 0.00 177.57 177.72 2f3s h ILE 657 N 0.22 1.14 0.00 3.17 2.04 -1.57 -1.77 117.51 120.74 2f3s h ILE 657 Ca -0.08 -0.32 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 2f3s h ILE 657 Cb 1.58 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 38.21 2f3s h ILE 657 CO 0.16 0.14 -0.02 -0.65 0.00 0.00 0.00 178.15 177.78 2f3s h PRO 658 N 0.59 0.00 -0.01 2.37 0.11 -1.79 -2.30 132.00 130.97 2f3s h PRO 658 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2f3s h PRO 658 Cb -0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2f3s h PRO 658 CO -0.03 0.02 -0.21 0.00 -0.21 0.00 0.00 178.00 177.57 2f3s n ALA 659 N -2.14 2.99 -1.90 -0.75 0.00 -0.70 -4.78 120.51 113.23 2f3s n ALA 659 Ca -0.02 -0.47 -0.35 0.00 0.00 0.00 0.00 53.44 52.61 2f3s n ALA 659 Cb 0.16 -1.07 -0.07 0.00 0.00 0.00 0.00 19.45 18.47 2f3s n ALA 659 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2f3s s ALA 660 N -2.34 3.20 -0.20 0.00 0.00 -0.87 -4.62 121.76 116.93 2f3s s ALA 660 Ca 0.27 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.58 2f3s s ALA 660 Cb 0.20 -3.05 -0.13 0.00 0.00 0.00 0.00 23.12 20.14 2f3s s ALA 660 CO 0.47 0.21 -0.19 -0.25 0.00 0.00 0.00 175.76 176.00 2f3s n ASP 661 N 0.00 2.35 -4.12 0.00 8.00 -0.69 -4.18 116.55 117.91 2f3s n ASP 661 Ca 0.03 -0.07 -0.30 0.00 0.71 0.00 0.00 54.79 55.17 2f3s n ASP 661 Cb 0.52 -0.35 -0.17 0.00 -0.02 0.00 0.00 41.12 41.11 2f3s n ASP 661 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2f3s s LEU 662 N -6.27 1.90 -0.27 0.64 0.20 -0.51 -0.32 118.68 114.05 2f3s s LEU 662 Ca -0.27 -0.49 -0.10 0.00 0.69 0.00 0.00 54.13 53.96 2f3s s LEU 662 Cb 0.07 -1.23 -0.04 0.00 -0.43 0.00 0.00 46.19 44.57 2f3s s LEU 662 CO 0.45 0.07 0.14 -0.55 -0.29 0.00 0.00 176.35 176.17 2f3s s SER 663 N 0.74 5.67 -0.42 3.68 0.15 0.52 -1.76 113.70 122.29 2f3s s SER 663 Ca -0.11 -0.09 -0.20 0.00 0.70 0.00 0.00 55.95 56.25 2f3s s SER 663 Cb -0.16 -2.04 0.02 0.00 -1.71 0.00 0.00 66.02 62.13 2f3s s SER 663 CO 0.02 -0.05 0.60 -1.61 1.20 0.00 0.00 173.24 173.40 2f3s s GLU 664 N 1.70 3.31 -0.53 5.44 0.41 -0.87 -1.34 118.70 126.82 2f3s s GLU 664 Ca 0.07 -0.38 0.05 0.00 -0.41 0.00 0.00 54.97 54.30 2f3s s GLU 664 Cb -0.16 -3.93 0.20 0.00 -1.78 0.00 0.00 34.13 28.46 2f3s s GLU 664 CO 0.08 -0.94 0.49 1.04 -0.49 0.00 0.00 175.26 175.45 2f3s n GLN 665 N 6.11 1.17 -1.33 1.61 1.13 -0.78 -4.78 117.38 120.51 2f3s n GLN 665 Ca -0.03 -3.82 -0.15 0.00 -1.94 0.00 0.00 57.00 51.06 2f3s n GLN 665 Cb 0.48 -1.86 0.11 0.00 0.11 0.00 0.00 30.24 29.09 2f3s n GLN 665 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 2f3s n ILE 666 N 1.95 2.67 -1.53 5.09 -5.35 -1.26 -2.37 119.36 118.56 2f3s n ILE 666 Ca 0.25 -3.40 -0.33 0.00 -0.27 0.00 0.00 62.75 59.00 2f3s n ILE 666 Cb 0.44 -0.75 0.07 0.00 -1.74 0.00 0.00 39.64 37.67 2f3s n ILE 666 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2f3s s SER 667 N -2.92 4.60 0.24 7.28 1.04 -1.26 -4.62 113.70 118.06 2f3s s SER 667 Ca 0.49 2.11 -0.30 0.00 0.48 0.00 0.00 55.95 58.73 2f3s s SER 667 Cb 0.42 -2.56 -0.10 0.00 0.10 0.00 0.00 66.02 63.88 2f3s s SER 667 CO 0.00 -1.98 1.47 -0.89 0.98 0.00 0.00 173.24 172.83 2f3s s THR 668 N -2.30 2.60 0.05 2.02 2.01 -1.13 -4.68 115.64 114.22 2f3s s THR 668 Ca 0.69 0.49 -0.37 0.00 0.31 0.00 0.00 61.69 62.81 2f3s s THR 668 Cb -0.23 -3.32 -0.17 0.00 0.01 0.00 0.00 72.50 68.80 2f3s s THR 668 CO 0.45 0.07 1.37 0.00 -0.69 0.00 0.00 174.62 175.82 2f3s n ALA 669 N 2.60 -0.98 -0.34 7.40 0.00 -1.26 -1.82 120.51 126.10 2f3s n ALA 669 Ca 0.08 0.51 0.00 0.00 0.00 0.00 0.00 53.44 54.03 2f3s n ALA 669 Cb 0.40 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.77 2f3s n ALA 669 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2f3s n GLY 670 N 2.64 0.70 0.07 0.00 0.00 -1.26 -4.71 105.19 102.61 2f3s n GLY 670 Ca 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.13 2f3s n GLY 670 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2f3s n THR 671 N -2.06 0.87 -2.88 2.61 -2.24 -0.76 -4.87 114.28 104.96 2f3s n THR 671 Ca 0.00 -0.44 -0.43 0.00 -2.27 0.00 0.00 64.05 60.91 2f3s n THR 671 Cb 0.00 -0.85 -0.04 0.00 -2.10 0.00 0.00 70.33 67.34 2f3s n THR 671 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2f3s s GLU 672 N -2.30 3.24 0.23 -0.78 2.56 -1.26 -4.73 118.70 115.66 2f3s s GLU 672 Ca -0.13 -0.50 -0.12 0.00 0.00 0.00 0.00 54.97 54.22 2f3s s GLU 672 Cb 0.04 -4.11 0.30 0.00 2.00 0.00 0.00 34.13 32.37 2f3s s GLU 672 CO 0.44 -1.56 1.61 0.00 -0.56 0.00 0.00 175.26 175.19 2f3s h ALA 673 N 9.35 0.48 0.00 6.30 0.00 -1.89 -2.88 119.26 130.62 2f3s h ALA 673 Ca -0.27 0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2f3s h ALA 673 Cb 1.07 0.57 0.00 0.00 0.00 0.00 0.00 17.79 19.43 2f3s h ALA 673 CO 1.10 -0.41 0.00 0.45 0.00 0.00 0.00 179.25 180.39 2f3s n SER 674 N -5.49 -0.53 0.00 0.00 2.88 -1.26 -4.27 113.62 104.95 2f3s n SER 674 Ca 0.10 0.35 0.00 0.00 -1.33 0.00 0.00 58.87 57.99 2f3s n SER 674 Cb 0.38 0.65 0.00 0.00 -0.75 0.00 0.00 64.21 64.49 2f3s n SER 674 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2f3s n GLY 675 N 1.02 0.23 0.00 0.46 0.00 -1.26 -1.17 105.19 104.47 2f3s n GLY 675 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.49 2f3s n GLY 675 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2f3s n THR 676 N 0.70 0.00 -0.25 2.61 -2.24 -1.26 -4.73 114.28 109.11 2f3s n THR 676 Ca 0.00 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.81 2f3s n THR 676 Cb 0.00 -0.10 0.26 0.00 -2.10 0.00 0.00 70.33 68.39 2f3s n THR 676 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2f3s h GLY 677 N 0.00 1.15 0.50 3.38 0.00 -1.95 -1.15 103.07 104.99 2f3s h GLY 677 Ca 0.00 -0.39 0.11 0.00 0.00 0.00 0.00 47.33 47.05 2f3s h GLY 677 CO 0.00 0.34 0.62 3.45 0.00 0.00 0.00 176.54 180.95 2f3s h ASN 678 N 0.99 0.92 -0.28 0.19 -0.00 -1.94 -1.19 115.58 114.27 2f3s h ASN 678 Ca 0.33 0.04 -0.12 0.00 -0.00 0.00 0.00 56.30 56.55 2f3s h ASN 678 Cb 0.05 -0.14 -0.01 0.00 -0.00 0.00 0.00 38.32 38.22 2f3s h ASN 678 CO -0.10 0.50 -0.26 0.24 -0.00 0.00 0.00 177.43 177.82 2f3s h MET 679 N 1.00 0.78 -0.57 4.14 2.86 -1.53 -2.65 114.93 118.95 2f3s h MET 679 Ca 0.48 -0.33 -0.00 0.00 -2.06 0.00 0.00 59.70 57.79 2f3s h MET 679 Cb 0.45 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.05 2f3s h MET 679 CO -0.26 0.95 0.36 0.87 1.06 0.00 0.00 176.91 179.89 2f3s h LYS 680 N 0.67 0.77 -0.62 1.72 1.57 -0.81 -2.06 116.57 117.82 2f3s h LYS 680 Ca 0.09 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 2f3s h LYS 680 Cb 0.78 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 2f3s h LYS 680 CO 0.06 0.54 0.09 0.74 -0.57 0.00 0.00 179.45 180.31 2f3s h PHE 681 N 0.77 1.10 -0.69 -1.35 0.04 -1.32 -2.74 116.94 112.76 2f3s h PHE 681 Ca 0.21 -0.16 -0.05 0.00 2.80 0.00 0.00 57.97 60.77 2f3s h PHE 681 Cb -0.04 -0.30 -0.03 0.00 2.20 0.00 0.00 35.95 37.78 2f3s h PHE 681 CO -0.03 0.94 0.23 1.98 -0.60 0.00 0.00 178.31 180.84 2f3s h MET 682 N 0.94 1.05 0.00 1.51 4.05 -1.23 -2.21 114.93 119.04 2f3s h MET 682 Ca 0.19 -0.20 -0.00 0.00 -0.28 0.00 0.00 59.70 59.40 2f3s h MET 682 Cb 0.44 -0.16 -0.00 0.00 -0.80 0.00 0.00 31.60 31.08 2f3s h MET 682 CO 0.01 0.88 -0.02 1.25 0.23 0.00 0.00 176.91 179.27 2f3s h LEU 683 N 1.01 0.00 -3.23 3.39 5.85 -1.28 -3.25 115.31 117.81 2f3s h LEU 683 Ca 0.23 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.95 2f3s h LEU 683 Cb 0.26 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.29 2f3s h LEU 683 CO -0.01 0.02 0.00 0.59 -0.34 0.00 0.00 178.44 178.70 2f3s n ASN 684 N -3.11 4.63 0.00 1.25 3.02 -0.98 -4.93 115.26 115.14 2f3s n ASN 684 Ca 0.02 -2.62 0.00 0.00 -0.03 0.00 0.00 54.58 51.95 2f3s n ASN 684 Cb 0.40 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 2f3s n ASN 684 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2f3s n GLY 685 N 0.64 0.80 3.57 7.41 0.00 -1.16 -4.79 105.19 111.66 2f3s n GLY 685 Ca 0.24 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 2f3s n GLY 685 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f3s s ALA 686 N -2.00 2.93 0.39 4.61 0.00 -0.87 -4.77 121.76 122.04 2f3s s ALA 686 Ca 0.00 -1.20 -0.04 0.00 0.00 0.00 0.00 51.96 50.72 2f3s s ALA 686 Cb 0.00 -0.92 -0.04 0.00 0.00 0.00 0.00 23.12 22.16 2f3s s ALA 686 CO 0.00 0.63 0.65 -0.51 0.00 0.00 0.00 175.76 176.54 2f3s s LEU 687 N -2.00 3.87 -0.11 0.00 1.43 0.56 -4.38 118.68 118.04 2f3s s LEU 687 Ca 0.20 0.74 0.01 0.00 -1.03 0.00 0.00 54.13 54.05 2f3s s LEU 687 Cb -0.11 -3.63 -0.01 0.00 0.03 0.00 0.00 46.19 42.47 2f3s s LEU 687 CO 0.12 -0.39 -0.15 -0.89 0.23 0.00 0.00 176.35 175.27 2f3s s THR 688 N -2.43 2.89 -0.22 5.49 2.01 -1.26 -0.35 115.64 121.77 2f3s s THR 688 Ca 0.44 -0.73 -0.04 0.00 0.31 0.00 0.00 61.69 61.68 2f3s s THR 688 Cb -0.10 -2.19 -0.01 0.00 0.01 0.00 0.00 72.50 70.21 2f3s s THR 688 CO 0.38 0.54 -0.04 -0.51 -0.69 0.00 0.00 174.62 174.29 2f3s s ILE 689 N 0.20 3.39 0.16 1.82 2.07 -0.45 -1.18 121.20 127.21 2f3s s ILE 689 Ca -0.09 -0.49 -0.24 0.00 -1.41 0.00 0.00 60.65 58.42 2f3s s ILE 689 Cb -0.15 -2.54 0.07 0.00 0.13 0.00 0.00 42.46 39.97 2f3s s ILE 689 CO 0.05 0.42 0.99 -0.83 -1.91 0.00 0.00 174.94 173.67 2f3s s GLY 690 N 1.46 -0.13 0.52 1.50 0.00 -0.36 -1.87 107.32 108.45 2f3s s GLY 690 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 44.72 44.73 2f3s s GLY 690 CO -0.03 0.62 0.81 -0.51 0.00 0.00 0.00 173.10 174.00 2f3s s THR 691 N -2.92 4.14 -1.39 0.90 -4.23 -1.00 -2.29 115.64 108.84 2f3s s THR 691 Ca 0.15 -0.04 -0.15 0.00 -1.18 0.00 0.00 61.69 60.46 2f3s s THR 691 Cb -0.01 -3.59 0.05 0.00 1.34 0.00 0.00 72.50 70.29 2f3s s THR 691 CO 0.03 -0.56 2.03 0.23 -0.54 0.00 0.00 174.62 175.81 2f3s n MET 692 N -2.37 3.00 -4.15 3.99 2.81 -1.26 -4.68 117.12 114.45 2f3s n MET 692 Ca 0.02 -2.88 -0.17 0.00 -1.81 0.00 0.00 57.70 52.86 2f3s n MET 692 Cb 0.57 -3.36 -0.12 0.00 -0.71 0.00 0.00 33.22 29.60 2f3s n MET 692 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2f3s s ASP 693 N 3.54 1.50 0.42 7.83 3.68 -1.26 -4.63 116.67 127.75 2f3s s ASP 693 Ca 0.49 -0.62 0.00 0.00 2.13 0.00 0.00 52.55 54.55 2f3s s ASP 693 Cb 0.10 -0.03 0.00 0.00 -1.45 0.00 0.00 42.92 41.54 2f3s s ASP 693 CO -0.02 -0.12 0.00 0.61 0.13 0.00 0.00 175.17 175.77 2f3s n GLY 694 N 1.24 2.00 0.05 2.66 0.00 -1.09 -1.33 105.19 108.73 2f3s n GLY 694 Ca -0.21 -0.29 0.09 0.00 0.00 0.00 0.00 46.02 45.61 2f3s n GLY 694 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f3s n ALA 695 N 6.75 1.68 -0.33 4.61 0.00 -0.32 -2.96 120.51 129.95 2f3s n ALA 695 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.54 2f3s n ALA 695 Cb 0.00 -1.30 0.30 0.00 0.00 0.00 0.00 19.45 18.45 2f3s n ALA 695 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2f3s h ASN 696 N 0.00 0.82 -0.43 0.00 2.35 -1.41 0.28 115.58 117.20 2f3s h ASN 696 Ca 0.00 0.05 0.02 0.00 -0.55 0.00 0.00 56.30 55.82 2f3s h ASN 696 Cb 0.30 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 2f3s h ASN 696 CO 0.00 0.42 0.25 0.58 -1.65 0.00 0.00 177.43 177.03 2f3s h VAL 697 N 0.87 1.05 -0.04 2.81 2.07 -1.62 -0.78 116.25 120.62 2f3s h VAL 697 Ca 0.49 -0.18 -0.16 0.00 0.82 0.00 0.00 66.70 67.67 2f3s h VAL 697 Cb 0.60 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 2f3s h VAL 697 CO -0.25 0.09 -0.68 -0.33 0.02 0.00 0.00 177.57 176.42 2f3s h GLU 698 N 0.51 0.18 -0.16 1.57 5.08 -1.46 -1.86 114.58 118.44 2f3s h GLU 698 Ca 0.17 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2f3s h GLU 698 Cb 0.00 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2f3s h GLU 698 CO -0.07 0.80 0.04 0.52 -1.00 0.00 0.00 179.01 179.29 2f3s h MET 699 N 0.13 0.26 -0.71 2.33 2.86 -0.63 0.06 114.93 119.22 2f3s h MET 699 Ca -0.02 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.53 2f3s h MET 699 Cb 1.22 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.81 2f3s h MET 699 CO 0.10 0.41 0.34 0.00 1.06 0.00 0.00 176.91 178.82 2f3s h ALA 700 N 0.84 1.26 -0.69 6.32 0.00 -1.12 -0.62 119.26 125.24 2f3s h ALA 700 Ca 0.05 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 2f3s h ALA 700 Cb 0.27 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2f3s h ALA 700 CO 0.00 0.57 0.17 1.49 0.00 0.00 0.00 179.25 181.48 2f3s h GLU 701 N 1.01 1.10 -0.16 0.00 4.81 -1.07 0.57 114.58 120.85 2f3s h GLU 701 Ca 0.25 -0.26 -0.09 0.00 -0.13 0.00 0.00 59.36 59.13 2f3s h GLU 701 Cb 0.10 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 2f3s h GLU 701 CO -0.03 0.97 -0.25 0.93 -0.73 0.00 0.00 179.01 179.90 2f3s h GLU 702 N 1.05 0.45 0.00 1.92 4.39 -0.37 -3.31 114.58 118.70 2f3s h GLU 702 Ca 0.22 -0.27 -0.04 0.00 0.34 0.00 0.00 59.36 59.61 2f3s h GLU 702 Cb 0.36 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 2f3s h GLU 702 CO 0.00 0.87 -0.68 0.00 -1.16 0.00 0.00 179.01 178.04 2f3s h ALA 703 N 0.58 0.70 0.00 3.43 0.00 -1.07 -3.47 119.26 119.43 2f3s h ALA 703 Ca 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2f3s h ALA 703 Cb 0.83 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2f3s h ALA 703 CO 0.06 0.24 0.00 0.41 0.00 0.00 0.00 179.25 179.95 2f3s n GLY 704 N 1.19 1.90 0.38 0.00 0.00 0.20 -4.61 105.19 104.24 2f3s n GLY 704 Ca 0.00 -1.33 0.20 0.00 0.00 0.00 0.00 46.02 44.89 2f3s n GLY 704 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2f3s h GLU 705 N 0.00 0.00 0.00 1.61 5.08 -1.85 0.12 114.58 119.54 2f3s h GLU 705 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2f3s h GLU 705 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2f3s h GLU 705 CO 0.00 0.00 0.00 0.93 -1.00 0.00 0.00 179.01 178.94 2f3s h GLU 706 N 0.00 0.00 -0.49 2.33 3.07 -1.90 -2.49 114.58 115.10 2f3s h GLU 706 Ca 0.21 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.07 2f3s h GLU 706 Cb 0.94 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.85 2f3s h GLU 706 CO -0.00 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.70 2f3s n ASN 707 N -2.51 4.45 -4.14 1.42 3.02 0.41 -4.93 115.26 112.98 2f3s n ASN 707 Ca 0.01 -2.62 -0.15 0.00 -0.03 0.00 0.00 54.58 51.80 2f3s n ASN 707 Cb 0.24 -0.54 -0.11 0.00 -0.61 0.00 0.00 39.78 38.76 2f3s n ASN 707 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2f3s s PHE 708 N -2.14 0.99 -0.98 3.10 0.40 -0.94 -4.80 117.98 113.61 2f3s s PHE 708 Ca 0.45 -0.55 -0.06 0.00 -0.60 0.00 0.00 56.93 56.18 2f3s s PHE 708 Cb 0.32 -0.56 0.25 0.00 0.51 0.00 0.00 43.02 43.54 2f3s s PHE 708 CO 0.18 -0.01 0.92 -0.06 0.70 0.00 0.00 175.22 176.95 2f3s s PHE 709 N -1.75 4.05 0.03 0.36 0.08 -0.32 -4.94 117.98 115.48 2f3s s PHE 709 Ca -0.02 -2.79 -0.16 0.00 0.12 0.00 0.00 56.93 54.08 2f3s s PHE 709 Cb -0.07 -3.56 -0.06 0.00 -0.57 0.00 0.00 43.02 38.76 2f3s s PHE 709 CO 0.01 -0.86 0.47 0.42 -0.10 0.00 0.00 175.22 175.15 2f3s s ILE 710 N -1.16 4.93 0.28 0.64 1.09 -1.26 -1.22 121.20 124.50 2f3s s ILE 710 Ca 0.28 0.97 -0.10 0.00 -1.10 0.00 0.00 60.65 60.69 2f3s s ILE 710 Cb -0.09 -3.78 0.00 0.00 -1.06 0.00 0.00 42.46 37.53 2f3s s ILE 710 CO -0.10 0.56 0.50 0.72 -0.10 0.00 0.00 174.94 176.53 2f3s s PHE 711 N -1.10 0.53 0.00 3.97 -0.71 -0.97 -4.96 117.98 114.74 2f3s s PHE 711 Ca 0.26 -0.89 0.00 0.00 -1.04 0.00 0.00 56.93 55.26 2f3s s PHE 711 Cb -0.18 0.17 0.00 0.00 -1.21 0.00 0.00 43.02 41.81 2f3s s PHE 711 CO 0.15 -1.08 0.00 0.41 -1.34 0.00 0.00 175.22 173.36 2f3s n GLY 712 N -0.44 -1.25 3.76 1.99 0.00 -1.26 -4.25 105.19 103.73 2f3s n GLY 712 Ca -0.02 -1.55 -0.37 0.00 0.00 0.00 0.00 46.02 44.08 2f3s n GLY 712 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2f3s s MET 713 N -1.04 3.39 0.53 1.61 -1.94 -1.26 -4.91 119.30 115.68 2f3s s MET 713 Ca 0.00 1.97 0.03 0.00 -1.71 0.00 0.00 55.69 55.98 2f3s s MET 713 Cb 0.00 -2.27 0.04 0.00 2.01 0.00 0.00 34.83 34.61 2f3s s MET 713 CO 0.00 -0.91 0.74 1.03 -0.01 0.00 0.00 175.02 175.87 2f3s s ARG 714 N -2.88 2.52 0.27 2.03 1.81 -1.26 -4.52 118.95 116.92 2f3s s ARG 714 Ca 0.69 -0.98 0.01 0.00 -1.72 0.00 0.00 55.73 53.72 2f3s s ARG 714 Cb -0.34 -2.55 0.56 0.00 -0.45 0.00 0.00 34.95 32.17 2f3s s ARG 714 CO 0.40 -0.68 1.79 0.28 -0.68 0.00 0.00 175.30 176.41 2f3s h VAL 715 N 0.17 0.79 -0.52 3.52 2.07 -1.84 -0.45 116.25 119.99 2f3s h VAL 715 Ca -0.40 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 2f3s h VAL 715 Cb 1.29 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 2f3s h VAL 715 CO 0.49 0.14 0.23 -0.33 0.02 0.00 0.00 177.57 178.11 2f3s h GLU 716 N 0.76 0.75 -0.40 1.57 3.07 -1.96 -2.05 114.58 116.32 2f3s h GLU 716 Ca 0.49 -0.10 -0.12 0.00 -0.50 0.00 0.00 59.36 59.12 2f3s h GLU 716 Cb 0.63 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 2f3s h GLU 716 CO -0.33 0.60 -0.25 -0.44 -1.40 0.00 0.00 179.01 177.20 2f3s h ASP 717 N 0.74 0.84 -0.51 1.42 3.45 -1.47 -1.76 116.42 119.13 2f3s h ASP 717 Ca 0.18 -0.31 -0.04 0.00 0.43 0.00 0.00 57.03 57.29 2f3s h ASP 717 Cb 0.12 -0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 38.64 2f3s h ASP 717 CO -0.02 1.04 0.15 0.58 -1.57 0.00 0.00 179.24 179.43 2f3s h VAL 718 N 0.70 1.23 -0.27 -1.35 2.07 -0.85 -2.03 116.25 115.76 2f3s h VAL 718 Ca 0.09 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 2f3s h VAL 718 Cb 0.78 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 2f3s h VAL 718 CO 0.06 0.29 0.16 0.44 0.02 0.00 0.00 177.57 178.54 2f3s h ASP 719 N 0.69 0.32 -0.79 0.57 3.32 -1.21 -1.33 116.42 118.00 2f3s h ASP 719 Ca 0.16 -0.06 0.09 0.00 0.02 0.00 0.00 57.03 57.24 2f3s h ASP 719 Cb 0.28 -0.08 -0.07 0.00 0.22 0.00 0.00 39.33 39.68 2f3s h ASP 719 CO -0.00 0.29 0.45 0.03 -1.72 0.00 0.00 179.24 178.29 2f3s h ARG 720 N 0.33 0.74 -0.69 3.56 3.08 -1.17 -0.47 114.38 119.75 2f3s h ARG 720 Ca 0.10 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.03 2f3s h ARG 720 Cb 0.03 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 2f3s h ARG 720 CO -0.02 0.49 0.15 1.25 -1.07 0.00 0.00 179.97 180.77 2f3s h LEU 721 N 0.76 1.06 -0.55 3.04 6.46 -0.94 -2.18 115.31 122.96 2f3s h LEU 721 Ca 0.38 -0.24 -0.12 0.00 -0.12 0.00 0.00 57.88 57.78 2f3s h LEU 721 Cb 0.33 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 39.96 2f3s h LEU 721 CO -0.24 1.03 -0.18 0.44 -0.62 0.00 0.00 178.44 178.87 2f3s h ASP 722 N 1.05 0.99 -0.46 1.25 3.32 -0.37 0.54 116.42 122.75 2f3s h ASP 722 Ca 0.21 -0.36 -0.04 0.00 0.02 0.00 0.00 57.03 56.87 2f3s h ASP 722 Cb 0.40 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 2f3s h ASP 722 CO 0.01 1.14 0.16 1.56 -1.72 0.00 0.00 179.24 180.39 2f3s h GLN 723 N 0.85 0.77 0.07 3.56 4.20 -0.94 -2.75 115.11 120.87 2f3s h GLN 723 Ca 0.12 -0.13 -0.27 0.00 0.06 0.00 0.00 58.65 58.43 2f3s h GLN 723 Cb 0.75 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.38 2f3s h GLN 723 CO 0.06 0.66 -1.35 -0.09 -0.67 0.00 0.00 178.83 177.45 2f3s h ARG 724 N 0.75 0.14 0.00 1.46 2.43 -1.19 -3.50 114.38 114.47 2f3s h ARG 724 Ca 0.17 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2f3s h ARG 724 Cb 0.22 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2f3s h ARG 724 CO -0.01 1.01 0.00 0.41 -1.51 0.00 0.00 179.97 179.87 2f3s n GLY 725 N 1.53 1.81 3.65 2.80 0.00 0.19 -5.03 105.19 110.14 2f3s n GLY 725 Ca -0.10 -1.07 -0.43 0.00 0.00 0.00 0.00 46.02 44.42 2f3s n GLY 725 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2f3s s TYR 726 N 0.00 2.96 -0.34 1.61 5.04 -1.20 -4.90 117.35 120.53 2f3s s TYR 726 Ca 0.00 1.11 0.04 0.00 -2.44 0.00 0.00 57.07 55.78 2f3s s TYR 726 Cb 0.00 -3.56 0.10 0.00 0.35 0.00 0.00 41.96 38.85 2f3s s TYR 726 CO 0.00 -1.30 0.05 1.21 -1.34 0.00 0.00 175.55 174.17 2f3s s ASN 727 N 1.93 4.75 0.41 4.32 3.84 -1.26 -4.98 114.94 123.95 2f3s s ASN 727 Ca 0.51 -2.14 0.09 0.00 0.21 0.00 0.00 52.86 51.54 2f3s s ASN 727 Cb -0.18 -1.61 0.89 0.00 -0.55 0.00 0.00 41.25 39.80 2f3s s ASN 727 CO 0.14 -0.38 2.01 0.00 -2.79 0.00 0.00 177.10 176.09 2f3s h ALA 728 N 7.62 1.80 -0.96 1.71 0.00 -1.87 -2.59 119.26 124.98 2f3s h ALA 728 Ca -0.04 -0.02 0.19 0.00 0.00 0.00 0.00 54.91 55.03 2f3s h ALA 728 Cb 1.02 -0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.58 2f3s h ALA 728 CO 0.52 0.12 0.61 0.37 0.00 0.00 0.00 179.25 180.87 2f3s h GLN 729 N 0.56 0.62 -0.49 0.00 5.75 -1.92 -1.65 115.11 117.97 2f3s h GLN 729 Ca 0.23 -0.04 0.05 0.00 -0.15 0.00 0.00 58.65 58.74 2f3s h GLN 729 Cb 0.19 -0.14 -0.05 0.00 1.07 0.00 0.00 27.48 28.56 2f3s h GLN 729 CO -0.06 0.41 0.22 1.49 -2.65 0.00 0.00 178.83 178.23 2f3s h GLU 730 N 0.64 0.41 -0.48 1.69 4.81 -1.88 0.73 114.58 120.49 2f3s h GLU 730 Ca 0.52 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.61 2f3s h GLU 730 Cb 0.98 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.25 2f3s h GLU 730 CO -0.28 0.27 -0.16 1.88 -0.73 0.00 0.00 179.01 179.99 2f3s h TYR 731 N 0.43 1.09 -0.94 0.92 -1.99 -1.48 -2.11 116.97 112.90 2f3s h TYR 731 Ca 0.22 -0.25 0.01 0.00 2.00 0.00 0.00 58.73 60.72 2f3s h TYR 731 Cb 0.18 -0.26 -0.05 0.00 2.00 0.00 0.00 36.73 38.60 2f3s h TYR 731 CO -0.13 1.05 0.62 -0.92 -0.00 0.00 0.00 178.16 178.79 2f3s h TYR 732 N 0.81 1.17 0.00 4.88 5.03 -0.97 -1.08 116.97 126.81 2f3s h TYR 732 Ca 0.12 0.03 -0.13 0.00 2.58 0.00 0.00 58.73 61.32 2f3s h TYR 732 Cb 0.73 -0.40 -0.02 0.00 1.55 0.00 0.00 36.73 38.59 2f3s h TYR 732 CO 0.05 0.73 -0.62 -0.44 -1.32 0.00 0.00 178.16 176.56 2f3s h ASP 733 N 1.26 0.00 -0.02 -2.11 3.32 -0.68 -3.32 116.42 114.87 2f3s h ASP 733 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 2f3s h ASP 733 Cb -0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.42 2f3s h ASP 733 CO -0.08 0.62 -0.24 0.54 -1.72 0.00 0.00 179.24 178.36 2f3s n ARG 734 N -3.73 1.67 -3.87 3.56 1.74 -0.81 -4.80 116.66 110.41 2f3s n ARG 734 Ca -0.01 -1.33 -0.30 0.00 -0.77 0.00 0.00 57.85 55.43 2f3s n ARG 734 Cb 0.63 -1.42 -0.15 0.00 -1.02 0.00 0.00 32.46 30.51 2f3s n ARG 734 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2f3s s ILE 735 N -2.10 1.71 0.24 0.55 1.01 -0.44 -5.01 121.20 117.16 2f3s s ILE 735 Ca 0.21 -2.17 -0.05 0.00 0.00 0.00 0.00 60.65 58.64 2f3s s ILE 735 Cb 0.17 -2.25 0.23 0.00 0.01 0.00 0.00 42.46 40.62 2f3s s ILE 735 CO 0.41 -0.69 1.69 -0.65 0.00 0.00 0.00 174.94 175.70 2f3s h PRO 736 N 7.51 0.27 -0.41 2.79 0.11 -1.87 -1.57 132.00 138.83 2f3s h PRO 736 Ca -0.07 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.97 2f3s h PRO 736 Cb 0.99 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.02 2f3s h PRO 736 CO 0.52 0.18 0.03 0.93 -0.21 0.00 0.00 178.00 179.45 2f3s h GLU 737 N 0.28 0.65 -0.28 1.05 5.08 -1.95 -1.74 114.58 117.66 2f3s h GLU 737 Ca 0.41 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.54 2f3s h GLU 737 Cb 0.69 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2f3s h GLU 737 CO -0.50 0.64 -0.17 1.25 -1.00 0.00 0.00 179.01 179.23 2f3s h LEU 738 N 0.62 0.64 -0.51 1.33 5.85 -1.69 -2.72 115.31 118.84 2f3s h LEU 738 Ca 0.13 -0.43 0.06 0.00 0.84 0.00 0.00 57.88 58.49 2f3s h LEU 738 Cb 0.34 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 2f3s h LEU 738 CO 0.01 0.93 0.22 -0.09 -0.34 0.00 0.00 178.44 179.16 2f3s h ARG 739 N 0.36 0.41 -0.48 1.25 2.43 -1.03 -1.55 114.38 115.76 2f3s h ARG 739 Ca 0.06 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.24 2f3s h ARG 739 Cb 0.70 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.12 2f3s h ARG 739 CO 0.05 0.27 0.25 0.37 -1.51 0.00 0.00 179.97 179.40 2f3s h GLN 740 N 0.42 0.48 -0.38 0.20 4.15 -1.24 -0.42 115.11 118.33 2f3s h GLN 740 Ca 0.24 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.63 2f3s h GLN 740 Cb 0.22 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.78 2f3s h GLN 740 CO -0.21 0.32 0.23 0.82 -1.93 0.00 0.00 178.83 178.06 2f3s h ILE 741 N 0.49 1.12 -0.66 2.39 2.04 -1.07 -0.11 117.51 121.71 2f3s h ILE 741 Ca 0.21 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.78 2f3s h ILE 741 Cb 0.10 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 2f3s h ILE 741 CO -0.14 0.11 0.25 0.40 0.00 0.00 0.00 178.15 178.78 2f3s h ILE 742 N 0.50 1.23 -0.22 -0.67 1.08 -0.95 -1.07 117.51 117.40 2f3s h ILE 742 Ca 0.14 -0.74 -0.13 0.00 -0.39 0.00 0.00 64.86 63.73 2f3s h ILE 742 Cb -0.02 0.46 -0.01 0.00 -3.07 0.00 0.00 36.82 34.18 2f3s h ILE 742 CO -0.03 0.30 -0.41 -0.33 -0.69 0.00 0.00 178.15 176.98 2f3s h GLU 743 N 0.95 0.52 -0.52 2.37 5.08 -0.67 -1.29 114.58 121.03 2f3s h GLU 743 Ca 0.22 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 2f3s h GLU 743 Cb 0.20 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2f3s h GLU 743 CO -0.02 0.85 0.08 1.96 -1.00 0.00 0.00 179.01 180.88 2f3s h GLN 744 N 0.43 0.87 -0.17 2.33 4.20 -0.50 -0.34 115.11 121.94 2f3s h GLN 744 Ca 0.04 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.50 2f3s h GLN 744 Cb 0.91 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.58 2f3s h GLN 744 CO 0.08 0.86 0.07 -0.07 -0.67 0.00 0.00 178.83 179.10 2f3s h LEU 745 N 0.75 0.23 -0.61 1.46 3.38 -1.01 -0.90 115.31 118.61 2f3s h LEU 745 Ca 0.16 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 2f3s h LEU 745 Cb 0.41 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2f3s h LEU 745 CO 0.01 0.31 0.04 0.28 0.09 0.00 0.00 178.44 179.17 2f3s h SER 746 N 0.13 1.03 0.96 -0.43 0.02 -1.13 -3.10 113.55 111.02 2f3s h SER 746 Ca 0.06 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 2f3s h SER 746 Cb 0.15 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.41 2f3s h SER 746 CO -0.01 1.07 0.00 -1.54 -1.14 0.00 0.00 176.83 175.21 2f3s n SER 747 N -4.22 0.66 0.00 3.07 3.41 -0.15 -4.62 113.62 111.78 2f3s n SER 747 Ca 0.03 0.63 0.00 0.00 -0.26 0.00 0.00 58.87 59.27 2f3s n SER 747 Cb 0.32 -0.78 0.00 0.00 -0.26 0.00 0.00 64.21 63.49 2f3s n SER 747 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2f3s n GLY 748 N 0.44 0.88 0.32 5.00 0.00 -1.08 -4.82 105.19 105.94 2f3s n GLY 748 Ca 0.03 -0.20 0.08 0.00 0.00 0.00 0.00 46.02 45.94 2f3s n GLY 748 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2f3s h PHE 749 N 0.00 0.41 -0.63 1.61 3.04 -1.41 -1.37 116.94 118.59 2f3s h PHE 749 Ca 0.00 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.96 2f3s h PHE 749 Cb 0.00 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 38.37 2f3s h PHE 749 CO 0.00 0.23 0.00 1.19 -2.02 0.00 0.00 178.31 177.71 2f3s n PHE 750 N -4.48 0.84 -2.83 0.41 3.72 -1.26 -4.58 117.46 109.28 2f3s n PHE 750 Ca 0.06 -0.50 -0.11 0.00 -0.05 0.00 0.00 57.45 56.85 2f3s n PHE 750 Cb 0.21 -0.01 0.04 0.00 -0.94 0.00 0.00 39.48 38.79 2f3s n PHE 750 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2f3s n SER 751 N 1.35 -2.16 -0.20 4.37 3.41 -0.57 -4.79 113.62 115.03 2f3s n SER 751 Ca 0.21 -3.31 -0.03 0.00 -0.26 0.00 0.00 58.87 55.49 2f3s n SER 751 Cb 0.57 1.40 0.04 0.00 -0.26 0.00 0.00 64.21 65.96 2f3s n SER 751 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2f3s h PRO 752 N 3.70 -0.07 0.00 4.33 0.11 -1.68 -1.21 132.00 137.19 2f3s h PRO 752 Ca -0.10 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.94 2f3s h PRO 752 Cb 1.02 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2f3s h PRO 752 CO 0.31 -0.05 -0.37 0.87 -0.21 0.00 0.00 178.00 178.55 2f3s h LYS 753 N -0.07 0.00 -2.52 1.05 1.57 -1.96 -3.34 116.57 111.30 2f3s h LYS 753 Ca 0.27 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.45 2f3s h LYS 753 Cb 0.50 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.40 2f3s h LYS 753 CO -0.64 0.37 -0.78 1.04 -0.57 0.00 0.00 179.45 178.86 2f3s n GLN 754 N -3.82 1.32 -0.36 3.15 6.02 -0.52 -5.00 117.38 118.18 2f3s n GLN 754 Ca -0.01 -3.94 0.26 0.00 -0.01 0.00 0.00 57.00 53.30 2f3s n GLN 754 Cb 0.44 -1.93 0.52 0.00 1.02 0.00 0.00 30.24 30.29 2f3s n GLN 754 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 2f3s h PRO 755 N 4.98 0.29 -0.50 -1.09 0.11 -1.52 -0.70 132.00 133.56 2f3s h PRO 755 Ca 0.18 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2f3s h PRO 755 Cb 0.80 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.84 2f3s h PRO 755 CO 0.60 0.19 0.00 -0.40 -0.21 0.00 0.00 178.00 178.18 2f3s n ASP 756 N -4.86 5.05 -0.35 -2.05 3.85 -1.26 -3.06 116.55 113.86 2f3s n ASP 756 Ca 0.31 -2.85 0.11 0.00 -0.71 0.00 0.00 54.79 51.65 2f3s n ASP 756 Cb 1.05 -0.62 0.30 0.00 -1.35 0.00 0.00 41.12 40.50 2f3s n ASP 756 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 2f3s h LEU 757 N 3.40 0.79 -3.80 -2.12 5.85 -1.45 -1.66 115.31 116.32 2f3s h LEU 757 Ca 0.00 0.09 -0.31 0.00 0.84 0.00 0.00 57.88 58.50 2f3s h LEU 757 Cb 1.73 -0.05 -0.18 0.00 0.37 0.00 0.00 40.66 42.52 2f3s h LEU 757 CO 0.37 0.31 0.38 0.49 -0.34 0.00 0.00 178.44 179.65 2f3s n PHE 758 N -4.75 2.59 -0.20 1.25 3.01 -1.26 -4.56 117.46 113.54 2f3s n PHE 758 Ca 0.22 -1.42 0.00 0.00 1.01 0.00 0.00 57.45 57.26 2f3s n PHE 758 Cb 0.52 -0.76 0.25 0.00 -0.01 0.00 0.00 39.48 39.47 2f3s n PHE 758 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 2f3s h LYS 759 N 2.09 0.95 -0.72 -1.08 2.10 -1.63 -2.27 116.57 116.02 2f3s h LYS 759 Ca 0.38 -0.07 -0.07 0.00 -2.00 0.00 0.00 60.65 58.89 2f3s h LYS 759 Cb 2.48 -0.21 -0.03 0.00 -0.90 0.00 0.00 32.23 33.57 2f3s h LYS 759 CO 0.84 0.65 0.20 -0.44 -2.00 0.00 0.00 179.45 178.70 2f3s h ASP 760 N 0.98 1.08 -0.26 7.07 3.32 -1.83 -1.10 116.42 125.68 2f3s h ASP 760 Ca 0.26 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 2f3s h ASP 760 Cb -0.07 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.18 2f3s h ASP 760 CO -0.05 1.02 0.07 0.40 -1.72 0.00 0.00 179.24 178.96 2f3s h ILE 761 N 1.09 1.21 -0.47 0.35 2.04 -1.78 -1.64 117.51 118.31 2f3s h ILE 761 Ca 0.23 -0.69 -0.03 0.00 1.00 0.00 0.00 64.86 65.37 2f3s h ILE 761 Cb 0.35 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 2f3s h ILE 761 CO -0.00 0.22 0.19 0.58 0.00 0.00 0.00 178.15 179.14 2f3s h VAL 762 N 0.25 1.21 -0.41 1.67 2.07 -1.30 -1.21 116.25 118.52 2f3s h VAL 762 Ca 0.08 -0.65 0.02 0.00 0.82 0.00 0.00 66.70 66.97 2f3s h VAL 762 Cb 0.28 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 2f3s h VAL 762 CO 0.00 0.24 0.24 -1.13 0.02 0.00 0.00 177.57 176.94 2f3s h ASN 763 N 0.62 0.40 -0.11 0.57 -1.24 -1.11 0.08 115.58 114.79 2f3s h ASN 763 Ca 0.16 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.17 2f3s h ASN 763 Cb 0.20 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.16 2f3s h ASN 763 CO -0.01 0.29 0.06 -0.03 -1.29 0.00 0.00 177.43 176.45 2f3s h MET 764 N 0.49 0.15 -0.84 6.67 4.05 -1.14 0.21 114.93 124.53 2f3s h MET 764 Ca 0.16 -0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.61 2f3s h MET 764 Cb -0.00 -0.03 -0.06 0.00 -0.80 0.00 0.00 31.60 30.71 2f3s h MET 764 CO -0.07 0.16 0.53 -0.07 0.23 0.00 0.00 176.91 177.69 2f3s h LEU 765 N 0.10 0.85 0.05 3.39 4.07 -0.88 -0.99 115.31 121.90 2f3s h LEU 765 Ca 0.04 0.01 -0.25 0.00 0.08 0.00 0.00 57.88 57.76 2f3s h LEU 765 Cb 0.05 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.60 2f3s h LEU 765 CO -0.01 0.56 -1.23 0.24 -1.08 0.00 0.00 178.44 176.92 2f3s h MET 766 N 0.99 0.10 0.00 1.13 2.86 -0.78 -3.41 114.93 115.82 2f3s h MET 766 Ca 0.36 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.80 2f3s h MET 766 Cb 0.11 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 2f3s h MET 766 CO -0.15 1.00 -1.12 0.72 1.06 0.00 0.00 176.91 178.42 2f3s n HIS 767 N -3.37 0.00 -2.98 -0.22 8.25 0.72 -4.42 115.22 113.21 2f3s n HIS 767 Ca -0.07 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.25 2f3s n HIS 767 Cb 0.99 -0.08 0.02 0.00 1.12 0.00 0.00 29.99 32.04 2f3s n HIS 767 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2f3s n HIS 768 N -1.91 -1.40 -3.18 4.41 -0.00 -0.45 -5.03 115.22 107.65 2f3s n HIS 768 Ca -0.02 -2.94 -0.44 0.00 -0.00 0.00 0.00 57.72 54.31 2f3s n HIS 768 Cb 0.40 0.55 -0.06 0.00 -0.00 0.00 0.00 29.99 30.88 2f3s n HIS 768 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 2f3s s ASP 769 N -1.76 6.19 0.42 4.39 2.15 -0.73 -4.82 116.67 122.51 2f3s s ASP 769 Ca 0.32 -1.27 0.29 0.00 0.43 0.00 0.00 52.55 52.32 2f3s s ASP 769 Cb 0.29 -2.27 1.35 0.00 -0.30 0.00 0.00 42.92 41.98 2f3s s ASP 769 CO -0.10 -0.95 1.88 0.03 -0.17 0.00 0.00 175.17 175.87 2f3s h ARG 770 N 9.03 0.00 -0.38 4.34 3.08 -1.97 -3.17 114.38 125.31 2f3s h ARG 770 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.76 2f3s h ARG 770 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.14 2f3s h ARG 770 CO 1.02 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 181.11 2f3s n PHE 771 N -2.61 0.71 -3.97 3.04 3.72 -1.26 -5.02 117.46 112.07 2f3s n PHE 771 Ca 0.00 -0.60 -0.30 0.00 -0.05 0.00 0.00 57.45 56.50 2f3s n PHE 771 Cb 0.19 -0.12 -0.02 0.00 -0.94 0.00 0.00 39.48 38.60 2f3s n PHE 771 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2f3s n LYS 772 N 0.40 -2.16 -0.07 -1.08 5.02 -1.20 -4.75 118.16 114.32 2f3s n LYS 772 Ca 0.16 0.33 -0.07 0.00 -2.02 0.00 0.00 58.31 56.71 2f3s n LYS 772 Cb 0.59 -4.06 -0.00 0.00 -0.02 0.00 0.00 35.03 31.54 2f3s n LYS 772 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2f3s h VAL 773 N -1.94 0.82 -0.76 -0.18 2.07 -1.93 -2.63 116.25 111.70 2f3s h VAL 773 Ca -0.65 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 66.83 2f3s h VAL 773 Cb 1.38 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 2f3s h VAL 773 CO 0.60 0.02 0.48 -0.26 0.02 0.00 0.00 177.57 178.43 2f3s h PHE 774 N 0.11 0.98 -0.34 1.57 0.05 -1.91 -2.88 116.94 114.52 2f3s h PHE 774 Ca 0.13 0.01 0.10 0.00 3.82 0.00 0.00 57.97 62.03 2f3s h PHE 774 Cb 0.17 -0.33 -0.01 0.00 2.00 0.00 0.00 35.95 37.77 2f3s h PHE 774 CO -0.20 0.64 0.25 0.00 -0.18 0.00 0.00 178.31 178.82 2f3s h ALA 775 N 1.49 2.31 -0.17 2.45 0.00 -1.85 -1.88 119.26 121.62 2f3s h ALA 775 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2f3s h ALA 775 Cb -0.08 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2f3s h ALA 775 CO -0.06 -0.42 0.00 -0.25 0.00 0.00 0.00 179.25 178.52 2f3s n ASP 776 N -4.41 2.80 0.27 0.00 8.00 -1.10 -4.69 116.55 117.41 2f3s n ASP 776 Ca 0.05 -1.83 -0.16 0.00 0.71 0.00 0.00 54.79 53.56 2f3s n ASP 776 Cb 0.42 -0.10 -0.08 0.00 -0.02 0.00 0.00 41.12 41.34 2f3s n ASP 776 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2f3s h TYR 777 N 3.55 -0.86 -0.05 1.24 5.03 -1.22 -1.02 116.97 123.64 2f3s h TYR 777 Ca 0.00 -0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.34 2f3s h TYR 777 Cb 0.80 0.32 -0.04 0.00 1.55 0.00 0.00 36.73 39.36 2f3s h TYR 777 CO 0.10 -0.48 -0.18 0.93 -1.32 0.00 0.00 178.16 177.21 2f3s h GLU 778 N -0.76 -0.26 -0.36 1.82 5.08 -1.84 -1.14 114.58 117.11 2f3s h GLU 778 Ca -0.05 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2f3s h GLU 778 Cb 0.64 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 2f3s h GLU 778 CO 0.02 -0.17 0.13 0.93 -1.00 0.00 0.00 179.01 178.91 2f3s h GLU 779 N -0.27 0.52 0.05 2.33 5.08 -1.87 -1.81 114.58 118.60 2f3s h GLU 779 Ca 0.07 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2f3s h GLU 779 Cb 0.37 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2f3s h GLU 779 CO -0.20 0.44 -0.02 -0.92 -1.00 0.00 0.00 179.01 177.31 2f3s h TYR 780 N 0.52 -0.06 -0.78 4.33 3.20 -0.66 -1.15 116.97 122.37 2f3s h TYR 780 Ca 0.13 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.01 2f3s h TYR 780 Cb 0.13 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.38 2f3s h TYR 780 CO 0.01 0.24 0.51 0.28 -1.64 0.00 0.00 178.16 177.55 2f3s h VAL 781 N -0.35 1.17 -0.35 1.81 2.07 -1.02 -0.63 116.25 118.94 2f3s h VAL 781 Ca -0.01 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.16 2f3s h VAL 781 Cb 0.32 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 2f3s h VAL 781 CO 0.01 0.19 0.22 0.50 0.02 0.00 0.00 177.57 178.51 2f3s h LYS 782 N 1.02 0.47 -0.86 1.57 1.63 -1.27 -2.25 116.57 116.89 2f3s h LYS 782 Ca 0.30 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 60.04 2f3s h LYS 782 Cb -0.07 -0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 31.42 2f3s h LYS 782 CO -0.08 0.34 0.47 0.00 -3.45 0.00 0.00 179.45 176.72 2f3s h GLN 784 N 1.19 0.17 -0.41 0.00 1.08 -0.76 -1.18 115.11 115.21 2f3s h GLN 784 Ca 0.30 -0.02 -0.13 0.00 -1.45 0.00 0.00 58.65 57.36 2f3s h GLN 784 Cb 0.03 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 2f3s h GLN 784 CO -0.05 0.18 -0.25 0.93 -0.95 0.00 0.00 178.83 178.69 2f3s h GLU 785 N 0.18 0.84 -0.13 1.46 5.08 -0.76 -1.96 114.58 119.29 2f3s h GLU 785 Ca 0.04 -0.36 -0.07 0.00 -1.00 0.00 0.00 59.36 57.97 2f3s h GLU 785 Cb 0.09 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2f3s h GLU 785 CO -0.00 0.99 -0.25 0.00 -1.00 0.00 0.00 179.01 178.76 2f3s h ARG 786 N 0.72 0.22 -0.05 2.33 3.08 -0.99 -1.48 114.38 118.22 2f3s h ARG 786 Ca 0.09 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 2f3s h ARG 786 Cb 0.79 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.82 2f3s h ARG 786 CO 0.07 0.46 0.01 0.28 -1.07 0.00 0.00 179.97 179.72 2f3s h VAL 787 N 0.20 1.21 -0.60 2.04 2.07 -0.93 -2.33 116.25 117.92 2f3s h VAL 787 Ca 0.03 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 2f3s h VAL 787 Cb 0.55 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 2f3s h VAL 787 CO 0.04 0.18 0.36 0.28 0.02 0.00 0.00 177.57 178.45 2f3s h SER 788 N -0.16 0.70 -0.27 0.57 0.02 -1.09 -1.48 113.55 111.85 2f3s h SER 788 Ca 0.02 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 2f3s h SER 788 Cb 0.27 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 2f3s h SER 788 CO 0.00 0.54 0.12 0.00 -1.14 0.00 0.00 176.83 176.35 2f3s h ALA 789 N 1.58 0.35 -0.30 3.77 0.00 -1.10 -2.85 119.26 120.71 2f3s h ALA 789 Ca 0.22 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 2f3s h ALA 789 Cb -0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2f3s h ALA 789 CO -0.04 -0.07 -0.26 1.25 0.00 0.00 0.00 179.25 180.13 2f3s h LEU 790 N 0.30 0.61 -2.10 0.00 6.46 -1.01 -2.78 115.31 116.79 2f3s h LEU 790 Ca 0.09 -0.22 -0.02 0.00 -0.12 0.00 0.00 57.88 57.62 2f3s h LEU 790 Cb 0.15 -0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 39.91 2f3s h LEU 790 CO -0.01 0.85 -0.08 0.22 -0.62 0.00 0.00 178.44 178.81 2f3s h TYR 791 N 0.52 0.00 0.00 1.25 3.20 -1.12 -0.57 116.97 120.25 2f3s h TYR 791 Ca 0.07 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.94 2f3s h TYR 791 Cb 0.73 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.00 2f3s h TYR 791 CO 0.03 0.08 0.00 1.63 -1.64 0.00 0.00 178.16 178.26 2f3s n LYS 792 N -3.68 0.16 -3.80 1.82 5.02 -1.05 -3.86 118.16 112.77 2f3s n LYS 792 Ca -0.02 0.39 -0.31 0.00 -2.02 0.00 0.00 58.31 56.34 2f3s n LYS 792 Cb 0.19 -1.81 -0.10 0.00 -0.02 0.00 0.00 35.03 33.29 2f3s n LYS 792 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2f3s s ASN 793 N -4.04 5.27 0.27 4.39 3.84 -0.22 -4.98 114.94 119.46 2f3s s ASN 793 Ca 0.05 -3.77 -0.10 0.00 0.21 0.00 0.00 52.86 49.24 2f3s s ASN 793 Cb 0.09 -1.74 0.40 0.00 -0.55 0.00 0.00 41.25 39.45 2f3s s ASN 793 CO 0.38 -0.13 1.56 -0.65 -2.79 0.00 0.00 177.10 175.47 2f3s h PRO 794 N 5.68 -0.00 -0.30 0.43 0.11 -1.75 -0.80 132.00 135.37 2f3s h PRO 794 Ca 0.14 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.27 2f3s h PRO 794 Cb 0.78 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.87 2f3s h PRO 794 CO 0.77 -0.00 0.17 -0.09 -0.21 0.00 0.00 178.00 178.64 2f3s h ARG 795 N -0.00 0.34 -0.01 1.05 2.43 -1.93 -1.29 114.38 114.96 2f3s h ARG 795 Ca 0.44 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.45 2f3s h ARG 795 Cb 0.69 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 2f3s h ARG 795 CO -1.00 0.22 -0.65 0.93 -1.51 0.00 0.00 179.97 177.96 2f3s h GLU 796 N 0.35 0.05 -0.19 0.20 4.39 -1.66 -1.60 114.58 116.12 2f3s h GLU 796 Ca 0.12 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.76 2f3s h GLU 796 Cb 0.01 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 2f3s h GLU 796 CO -0.06 0.68 0.05 2.35 -1.16 0.00 0.00 179.01 180.87 2f3s h TRP 797 N 0.04 0.31 -0.44 4.33 2.91 -0.95 -2.17 115.95 119.99 2f3s h TRP 797 Ca -0.01 -0.04 -0.06 0.00 1.13 0.00 0.00 58.89 59.92 2f3s h TRP 797 Cb 1.16 -0.09 -0.02 0.00 -0.51 0.00 0.00 29.16 29.70 2f3s h TRP 797 CO 0.01 0.42 0.03 1.15 -1.03 0.00 0.00 178.44 179.02 2f3s h THR 798 N 0.11 1.22 -0.39 2.65 2.02 -1.14 -1.29 112.91 116.08 2f3s h THR 798 Ca 0.06 -0.86 -0.08 0.00 0.77 0.00 0.00 66.41 66.30 2f3s h THR 798 Cb 0.26 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 2f3s h THR 798 CO 0.00 0.31 -0.09 0.03 0.37 0.00 0.00 175.52 176.14 2f3s h ARG 799 N 0.66 0.67 -0.21 6.66 3.08 -1.11 -0.35 114.38 123.76 2f3s h ARG 799 Ca 0.14 -0.20 -0.14 0.00 0.07 0.00 0.00 59.98 59.85 2f3s h ARG 799 Cb 0.36 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 2f3s h ARG 799 CO 0.01 0.75 -0.47 1.98 -1.07 0.00 0.00 179.97 181.17 2f3s h MET 800 N 0.62 0.56 -0.45 0.04 4.05 -0.92 -2.41 114.93 116.41 2f3s h MET 800 Ca 0.11 -0.31 -0.00 0.00 -0.28 0.00 0.00 59.70 59.22 2f3s h MET 800 Cb 0.51 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.31 2f3s h MET 800 CO 0.03 0.91 0.27 0.28 0.23 0.00 0.00 176.91 178.62 2f3s h VAL 801 N 0.44 1.14 -0.87 -5.77 2.07 -0.57 -2.09 116.25 110.60 2f3s h VAL 801 Ca 0.03 -0.34 0.03 0.00 0.82 0.00 0.00 66.70 67.24 2f3s h VAL 801 Cb 0.98 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.26 2f3s h VAL 801 CO 0.09 0.15 0.58 0.40 0.02 0.00 0.00 177.57 178.80 2f3s h ILE 802 N 0.60 1.17 0.00 4.57 2.04 -0.86 -0.56 117.51 124.46 2f3s h ILE 802 Ca 0.16 -0.39 -0.06 0.00 1.00 0.00 0.00 64.86 65.58 2f3s h ILE 802 Cb 0.00 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.03 2f3s h ILE 802 CO -0.03 0.20 -0.27 0.03 0.00 0.00 0.00 178.15 178.09 2f3s h ARG 803 N 1.12 0.00 0.07 2.37 3.08 -0.92 -0.83 114.38 119.28 2f3s h ARG 803 Ca 0.34 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.38 2f3s h ARG 803 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.02 2f3s h ARG 803 CO -0.09 0.27 -0.03 -0.91 -1.07 0.00 0.00 179.97 178.13 2f3s h ASN 804 N 0.00 -0.08 -0.65 7.04 2.35 -0.51 -3.12 115.58 120.62 2f3s h ASN 804 Ca -0.00 -0.53 0.08 0.00 -0.55 0.00 0.00 56.30 55.30 2f3s h ASN 804 Cb 0.54 0.02 -0.06 0.00 0.05 0.00 0.00 38.32 38.87 2f3s h ASN 804 CO 0.03 0.60 0.31 0.40 -1.65 0.00 0.00 177.43 177.12 2f3s h ILE 805 N -0.88 0.86 0.00 2.81 2.04 -1.15 -1.69 117.51 119.50 2f3s h ILE 805 Ca -0.01 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 2f3s h ILE 805 Cb 0.60 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 2f3s h ILE 805 CO 0.02 0.10 -0.03 0.00 0.00 0.00 0.00 178.15 178.23 2f3s h ALA 806 N 1.39 1.56 -0.31 1.87 0.00 -1.25 -2.68 119.26 119.84 2f3s h ALA 806 Ca 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2f3s h ALA 806 Cb 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2f3s h ALA 806 CO -0.25 0.04 0.00 0.25 0.00 0.00 0.00 179.25 179.29 2f3s n THR 807 N -3.93 1.95 1.56 0.00 -2.24 -0.68 -2.27 114.28 108.67 2f3s n THR 807 Ca -0.03 -1.60 0.14 0.00 -2.27 0.00 0.00 64.05 60.29 2f3s n THR 807 Cb 0.12 -0.04 0.59 0.00 -2.10 0.00 0.00 70.33 68.89 2f3s n THR 807 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2f3s n SER 808 N -0.14 1.23 -0.34 3.42 3.41 -0.95 -4.37 113.62 115.87 2f3s n SER 808 Ca 0.19 -1.38 0.12 0.00 -0.26 0.00 0.00 58.87 57.54 2f3s n SER 808 Cb 0.78 0.00 0.30 0.00 -0.26 0.00 0.00 64.21 65.03 2f3s n SER 808 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2f3s h GLY 809 N 4.88 1.68 1.79 5.00 0.00 -1.79 -1.40 103.07 113.23 2f3s h GLY 809 Ca 0.00 -0.32 0.01 0.00 0.00 0.00 0.00 47.33 47.02 2f3s h GLY 809 CO 0.00 -0.08 0.09 1.70 0.00 0.00 0.00 176.54 178.25 2f3s h LYS 810 N 0.70 0.00 -0.76 4.80 3.64 -1.89 -2.75 116.57 120.32 2f3s h LYS 810 Ca 0.55 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.93 2f3s h LYS 810 Cb 0.86 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 2f3s h LYS 810 CO -0.39 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 177.98 2f3s n PHE 811 N -3.51 1.03 -2.83 1.91 3.01 -0.53 -4.76 117.46 111.78 2f3s n PHE 811 Ca -0.02 -0.36 -0.40 0.00 1.01 0.00 0.00 57.45 57.68 2f3s n PHE 811 Cb 0.18 -0.29 -0.05 0.00 -0.01 0.00 0.00 39.48 39.31 2f3s n PHE 811 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2f3s s SER 812 N -0.44 7.47 0.06 4.37 0.15 -1.04 -0.75 113.70 123.52 2f3s s SER 812 Ca 0.28 1.75 0.13 0.00 0.70 0.00 0.00 55.95 58.81 2f3s s SER 812 Cb 0.21 -2.56 0.58 0.00 -1.71 0.00 0.00 66.02 62.54 2f3s s SER 812 CO 0.09 0.07 1.42 -1.54 1.20 0.00 0.00 173.24 174.48 2f3s n SER 813 N 2.15 0.13 -0.02 5.45 3.41 0.03 -1.52 113.62 123.25 2f3s n SER 813 Ca -0.01 0.54 -0.07 0.00 -0.26 0.00 0.00 58.87 59.06 2f3s n SER 813 Cb 0.49 -0.56 0.10 0.00 -0.26 0.00 0.00 64.21 63.97 2f3s n SER 813 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2f3s h ASP 814 N 0.00 0.64 -0.23 4.04 3.32 -1.91 0.39 116.42 122.66 2f3s h ASP 814 Ca 0.00 -0.27 -0.08 0.00 0.02 0.00 0.00 57.03 56.70 2f3s h ASP 814 Cb 0.20 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 2f3s h ASP 814 CO 0.00 0.95 -0.17 -0.09 -1.72 0.00 0.00 179.24 178.20 2f3s h ARG 815 N 0.51 0.53 -0.03 3.56 1.12 -1.59 -1.82 114.38 116.65 2f3s h ARG 815 Ca 0.05 -0.26 0.02 0.00 -1.11 0.00 0.00 59.98 58.68 2f3s h ARG 815 Cb 0.87 -0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.81 2f3s h ARG 815 CO 0.08 0.83 -0.07 1.15 -3.11 0.00 0.00 179.97 178.84 2f3s h THR 816 N 0.23 0.81 -0.57 0.20 2.02 -1.38 -2.26 112.91 111.97 2f3s h THR 816 Ca 0.04 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.17 2f3s h THR 816 Cb 0.70 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 2f3s h THR 816 CO 0.05 0.00 0.15 0.40 0.37 0.00 0.00 175.52 176.48 2f3s h ILE 817 N -0.11 1.23 -0.34 3.11 1.08 -0.92 -1.70 117.51 119.86 2f3s h ILE 817 Ca 0.04 -0.82 -0.02 0.00 -0.39 0.00 0.00 64.86 63.67 2f3s h ILE 817 Cb 0.16 0.64 -0.02 0.00 -3.07 0.00 0.00 36.82 34.53 2f3s h ILE 817 CO -0.09 0.31 0.11 0.00 -0.69 0.00 0.00 178.15 177.78 2f3s h ALA 818 N 1.33 1.56 -0.17 1.87 0.00 -1.07 0.76 119.26 123.53 2f3s h ALA 818 Ca 0.18 -0.12 -0.21 0.00 0.00 0.00 0.00 54.91 54.76 2f3s h ALA 818 Cb 0.29 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.94 2f3s h ALA 818 CO -0.00 0.34 -0.73 1.96 0.00 0.00 0.00 179.25 180.82 2f3s h GLN 819 N 0.48 0.79 -0.47 0.00 4.20 -0.77 -1.91 115.11 117.43 2f3s h GLN 819 Ca 0.12 -0.62 -0.01 0.00 0.06 0.00 0.00 58.65 58.20 2f3s h GLN 819 Cb 0.15 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 2f3s h GLN 819 CO -0.01 1.23 0.26 1.88 -0.67 0.00 0.00 178.83 181.53 2f3s h TYR 820 N 0.52 0.64 -0.07 2.96 0.05 -0.91 0.27 116.97 120.43 2f3s h TYR 820 Ca -0.04 -0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.74 2f3s h TYR 820 Cb 1.36 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 38.87 2f3s h TYR 820 CO 0.09 0.47 -0.04 0.00 -1.05 0.00 0.00 178.16 177.63 2f3s h ALA 821 N 1.11 0.03 0.15 3.88 0.00 -0.78 0.41 119.26 124.05 2f3s h ALA 821 Ca 0.16 0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.83 2f3s h ALA 821 Cb 0.04 0.09 0.03 0.00 0.00 0.00 0.00 17.79 17.95 2f3s h ALA 821 CO -0.03 -0.51 -1.18 0.00 0.00 0.00 0.00 179.25 177.53 2f3s h ARG 822 N -0.04 0.54 0.00 0.00 3.08 -1.28 0.20 114.38 116.88 2f3s h ARG 822 Ca 0.04 -0.78 0.00 0.00 0.07 0.00 0.00 59.98 59.32 2f3s h ARG 822 Cb 0.10 0.27 0.00 0.00 0.08 0.00 0.00 29.97 30.42 2f3s h ARG 822 CO -0.10 1.35 -0.86 0.39 -1.07 0.00 0.00 179.97 179.68 2f3s n GLU 823 N -3.87 0.37 0.01 0.04 1.02 0.08 -4.25 120.64 114.04 2f3s n GLU 823 Ca -0.14 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 2f3s n GLU 823 Cb 0.96 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 30.70 2f3s n GLU 823 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2f3s n ILE 824 N -2.19 0.11 0.18 -3.67 5.41 -0.05 -4.86 119.36 114.29 2f3s n ILE 824 Ca 0.02 0.04 0.10 0.00 1.00 0.00 0.00 62.75 63.91 2f3s n ILE 824 Cb 0.47 -1.32 0.11 0.00 -0.71 0.00 0.00 39.64 38.19 2f3s n ILE 824 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 2f3s h TRP 825 N 0.00 0.00 -3.35 1.39 6.55 -1.07 -3.48 115.95 115.98 2f3s h TRP 825 Ca 0.00 0.00 -0.16 0.00 0.95 0.00 0.00 58.89 59.68 2f3s h TRP 825 Cb 0.72 0.00 0.07 0.00 -0.86 0.00 0.00 29.16 29.09 2f3s h TRP 825 CO 0.00 0.08 -0.32 0.41 -1.05 0.00 0.00 178.44 177.56 2f3s n GLY 826 N 1.14 0.20 3.03 1.49 0.00 0.49 -4.96 105.19 106.58 2f3s n GLY 826 Ca 0.03 -0.25 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 2f3s n GLY 826 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2f3s s VAL 827 N -3.15 0.34 -0.21 1.61 -7.23 -0.02 -5.01 120.40 106.73 2f3s s VAL 827 Ca 0.15 -1.06 -0.11 0.00 -1.81 0.00 0.00 61.98 59.15 2f3s s VAL 827 Cb -0.07 -0.52 -0.05 0.00 0.56 0.00 0.00 36.38 36.31 2f3s s VAL 827 CO 0.32 -0.47 0.19 -1.61 -0.31 0.00 0.00 175.10 173.22 2f3s s GLU 828 N -1.68 4.16 0.53 4.82 0.41 -1.26 -3.44 118.70 122.24 2f3s s GLU 828 Ca -0.11 -0.15 -0.20 0.00 -0.41 0.00 0.00 54.97 54.10 2f3s s GLU 828 Cb -0.09 -3.47 -0.06 0.00 -1.78 0.00 0.00 34.13 28.73 2f3s s GLU 828 CO -0.01 0.18 1.12 -1.25 -0.49 0.00 0.00 175.26 174.81 2f3s s PRO 829 N 0.68 3.43 0.00 0.39 0.04 -1.26 -4.94 135.00 133.35 2f3s s PRO 829 Ca 0.10 1.58 0.04 0.00 0.04 0.00 0.00 61.00 62.76 2f3s s PRO 829 Cb -0.12 -2.03 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 2f3s s PRO 829 CO 0.02 -0.78 -0.13 0.45 0.04 0.00 0.00 177.00 176.60 2f3s s SER 830 N -1.79 1.58 0.00 6.66 0.15 0.11 -5.01 113.70 115.40 2f3s s SER 830 Ca 0.72 -0.30 0.13 0.00 0.70 0.00 0.00 55.95 57.19 2f3s s SER 830 Cb -0.23 -0.15 0.37 0.00 -1.71 0.00 0.00 66.02 64.30 2f3s s SER 830 CO 0.26 0.12 1.30 0.54 1.20 0.00 0.00 173.24 176.66 2f3s n ARG 831 N 2.50 2.78 -2.56 5.44 5.12 -1.26 -3.01 116.66 125.67 2f3s n ARG 831 Ca -0.15 -2.15 -0.41 0.00 -1.93 0.00 0.00 57.85 53.21 2f3s n ARG 831 Cb 0.55 -1.33 -0.04 0.00 -1.16 0.00 0.00 32.46 30.49 2f3s n ARG 831 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2f3s s GLN 832 N -1.00 4.57 0.60 5.56 -0.21 -1.26 -5.03 119.66 122.88 2f3s s GLN 832 Ca 0.28 1.64 -0.15 0.00 0.02 0.00 0.00 55.36 57.14 2f3s s GLN 832 Cb 0.15 -3.34 -0.03 0.00 1.00 0.00 0.00 33.01 30.78 2f3s s GLN 832 CO 0.19 -0.00 1.05 1.03 -2.12 0.00 0.00 175.29 175.44 2f3s s ARG 833 N 0.28 3.32 0.07 2.91 3.00 -1.26 -4.95 118.95 122.32 2f3s s ARG 833 Ca 0.52 1.16 0.02 0.00 0.00 0.00 0.00 55.73 57.43 2f3s s ARG 833 Cb -0.27 -2.03 -0.04 0.00 0.00 0.00 0.00 34.95 32.61 2f3s s ARG 833 CO 0.31 -0.81 0.11 -0.51 0.00 0.00 0.00 175.30 174.40 2f3s s LEU 834 N -4.58 3.92 0.19 2.53 1.43 -0.33 -5.03 118.68 116.81 2f3s s LEU 834 Ca 0.63 0.06 -0.32 0.00 -1.03 0.00 0.00 54.13 53.47 2f3s s LEU 834 Cb -0.15 -2.57 -0.12 0.00 0.03 0.00 0.00 46.19 43.38 2f3s s LEU 834 CO 0.38 0.18 1.74 -2.16 0.23 0.00 0.00 176.35 176.73 2f3s s PRO 835 N -2.37 4.13 0.00 1.29 0.04 -1.26 -4.64 135.00 132.18 2f3s s PRO 835 Ca 0.30 2.60 0.24 0.00 0.04 0.00 0.00 61.00 64.18 2f3s s PRO 835 Cb -0.12 -3.19 1.44 0.00 0.04 0.00 0.00 34.50 32.67 2f3s s PRO 835 CO 0.23 -0.77 1.81 0.00 0.04 0.00 0.00 177.00 178.30