#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1njr s ARG 18 N 0.00 0.25 -0.28 -1.58 3.52 0.63 -4.95 118.95 116.54 1njr s ARG 18 Ca 0.00 0.38 -0.10 0.00 -0.13 0.00 0.00 55.73 55.88 1njr s ARG 18 Cb 0.00 0.06 -0.04 0.00 -1.56 0.00 0.00 34.95 33.41 1njr s ARG 18 CO 0.00 -0.07 0.16 0.42 -0.81 0.00 0.00 175.30 175.00 1njr s ILE 19 N 0.43 4.95 -0.34 4.11 -1.09 -0.27 -0.22 121.20 128.78 1njr s ILE 19 Ca -0.03 -0.01 -0.04 0.00 -2.23 0.00 0.00 60.65 58.34 1njr s ILE 19 Cb -0.04 -3.38 0.06 0.00 -1.58 0.00 0.00 42.46 37.52 1njr s ILE 19 CO -0.02 0.24 0.08 -0.63 -1.23 0.00 0.00 174.94 173.38 1njr s ILE 20 N 1.70 3.40 -0.19 2.92 1.01 0.69 -0.87 121.20 129.86 1njr s ILE 20 Ca 0.07 -1.40 -0.17 0.00 0.00 0.00 0.00 60.65 59.15 1njr s ILE 20 Cb -0.16 -3.01 -0.04 0.00 0.01 0.00 0.00 42.46 39.27 1njr s ILE 20 CO 0.08 -0.25 0.46 -0.76 0.00 0.00 0.00 174.94 174.48 1njr s LEU 21 N 1.30 4.17 -0.07 2.97 1.43 0.25 -0.50 118.68 128.23 1njr s LEU 21 Ca -0.01 0.63 0.00 0.00 -1.03 0.00 0.00 54.13 53.71 1njr s LEU 21 Cb -0.20 -2.62 0.02 0.00 0.03 0.00 0.00 46.19 43.42 1njr s LEU 21 CO 0.00 -0.11 -0.04 0.00 0.23 0.00 0.00 176.35 176.43 1njr s ASP 23 N 1.39 -0.41 0.24 0.00 2.15 -0.98 -3.74 116.67 115.32 1njr s ASP 23 Ca -0.03 0.56 0.25 0.00 0.43 0.00 0.00 52.55 53.76 1njr s ASP 23 Cb -0.13 0.61 0.68 0.00 -0.30 0.00 0.00 42.92 43.78 1njr s ASP 23 CO -0.03 -0.38 1.70 0.71 -0.17 0.00 0.00 175.17 177.00 1njr h THR 24 N 3.86 0.00 -3.56 1.71 1.35 -1.85 -1.58 112.91 112.84 1njr h THR 24 Ca -0.28 -0.57 -0.64 0.00 -0.55 0.00 0.00 66.41 64.37 1njr h THR 24 Cb 1.17 1.52 -0.14 0.00 -1.73 0.00 0.00 68.15 68.97 1njr h THR 24 CO 0.32 0.00 0.26 0.21 -0.25 0.00 0.00 175.52 176.07 1njr s ASN 25 N -4.77 6.36 0.62 5.36 3.04 -1.26 -4.61 114.94 119.68 1njr s ASN 25 Ca 0.09 -0.27 0.33 0.00 0.04 0.00 0.00 52.86 53.06 1njr s ASN 25 Cb 0.11 -2.36 1.90 0.00 -1.54 0.00 0.00 41.25 39.37 1njr s ASN 25 CO 0.62 -0.88 2.19 1.05 -3.04 0.00 0.00 177.10 177.03 1njr h GLU 26 N 8.97 0.00 -0.42 0.43 4.11 -1.99 -0.01 114.58 125.66 1njr h GLU 26 Ca -0.25 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.13 1njr h GLU 26 Cb 1.09 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 1njr h GLU 26 CO 0.94 0.00 0.09 0.28 0.07 0.00 0.00 179.01 180.39 1njr h VAL 27 N 0.00 1.24 0.12 -1.06 2.07 -1.97 -0.27 116.25 116.38 1njr h VAL 27 Ca 0.03 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 1njr h VAL 27 Cb 0.28 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1njr h VAL 27 CO -0.00 0.29 -0.06 0.58 0.02 0.00 0.00 177.57 178.40 1njr h VAL 28 N 0.55 1.03 -0.81 2.57 2.07 -1.40 -2.60 116.25 117.65 1njr h VAL 28 Ca 0.13 -0.70 0.02 0.00 0.82 0.00 0.00 66.70 66.97 1njr h VAL 28 Cb 0.34 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 1njr h VAL 28 CO 0.00 0.17 0.54 0.71 0.02 0.00 0.00 177.57 179.01 1njr h THR 29 N -0.50 1.18 -0.40 2.57 1.35 -1.37 -1.11 112.91 114.62 1njr h THR 29 Ca -0.02 -0.36 -0.04 0.00 -0.55 0.00 0.00 66.41 65.44 1njr h THR 29 Cb 0.40 0.02 -0.02 0.00 -1.73 0.00 0.00 68.15 66.82 1njr h THR 29 CO 0.03 0.19 0.09 0.78 -0.25 0.00 0.00 175.52 176.36 1njr h ASN 30 N 1.06 0.62 -0.69 5.36 2.35 -1.05 -2.28 115.58 120.95 1njr h ASN 30 Ca 0.31 -0.24 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 1njr h ASN 30 Cb -0.06 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.11 1njr h ASN 30 CO -0.08 0.71 0.34 -0.07 -1.65 0.00 0.00 177.43 176.68 1njr h LEU 31 N 0.52 0.92 0.01 1.61 3.38 -1.02 -2.27 115.31 118.46 1njr h LEU 31 Ca 0.13 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1njr h LEU 31 Cb 0.33 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1njr h LEU 31 CO 0.00 0.78 -0.03 -0.50 0.09 0.00 0.00 178.44 178.78 1njr h TRP 32 N 1.01 -0.07 -0.99 1.13 6.55 -0.95 -0.41 115.95 122.23 1njr h TRP 32 Ca 0.25 0.00 0.13 0.00 0.95 0.00 0.00 58.89 60.22 1njr h TRP 32 Cb 0.10 0.03 -0.09 0.00 -0.86 0.00 0.00 29.16 28.34 1njr h TRP 32 CO 0.01 -0.05 0.61 1.96 -1.05 0.00 0.00 178.44 179.92 1njr h GLN 33 N -0.06 0.90 0.00 0.49 1.08 -1.06 0.67 115.11 117.14 1njr h GLN 33 Ca 0.01 -0.05 -0.10 0.00 -1.45 0.00 0.00 58.65 57.05 1njr h GLN 33 Cb 0.07 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.28 1njr h GLN 33 CO -0.02 0.59 -0.49 0.93 -0.95 0.00 0.00 178.83 178.90 1njr h GLU 34 N 0.93 0.00 0.00 1.46 5.08 -0.94 -3.34 114.58 117.77 1njr h GLU 34 Ca 0.50 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.67 1njr h GLU 34 Cb 0.56 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 1njr h GLU 34 CO -0.29 0.49 -2.02 0.43 -1.00 0.00 0.00 179.01 176.61 1njr n SER 35 N -3.49 0.21 -4.63 1.42 7.64 -0.21 -4.91 113.62 109.65 1njr n SER 35 Ca 0.00 0.09 -0.42 0.00 1.01 0.00 0.00 58.87 59.55 1njr n SER 35 Cb 0.61 1.13 -0.04 0.00 -1.01 0.00 0.00 64.21 64.89 1njr n SER 35 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1njr s ILE 36 N -2.94 4.81 0.60 0.44 1.10 0.13 -4.99 121.20 120.35 1njr s ILE 36 Ca -0.08 1.48 0.29 0.00 -0.51 0.00 0.00 60.65 61.83 1njr s ILE 36 Cb 0.09 -4.14 0.36 0.00 0.15 0.00 0.00 42.46 38.93 1njr s ILE 36 CO 0.85 -0.14 1.96 -0.65 -2.11 0.00 0.00 174.94 174.86 1njr h PRO 37 N 7.81 0.00 0.00 3.50 0.11 -1.90 -3.47 132.00 138.05 1njr h PRO 37 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1njr h PRO 37 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1njr h PRO 37 CO 0.88 0.00 0.00 0.36 -0.21 0.00 0.00 178.00 179.03 1njr n LYS 45 N -3.61 0.00 0.23 1.05 2.85 -1.26 -5.10 118.16 112.32 1njr n LYS 45 Ca 0.05 0.00 0.16 0.00 -1.05 0.00 0.00 58.31 57.46 1njr n LYS 45 Cb 0.52 0.00 0.81 0.00 -0.65 0.00 0.00 35.03 35.71 1njr n LYS 45 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 177.40 179.23 1njr h TYR 46 N 0.00 0.00 -3.57 5.58 -1.99 -1.97 -3.42 116.97 111.60 1njr h TYR 46 Ca 0.00 0.00 -0.22 0.00 2.00 0.00 0.00 58.73 60.51 1njr h TYR 46 Cb 0.00 0.00 -0.28 0.00 2.00 0.00 0.00 36.73 38.45 1njr h TYR 46 CO 0.00 0.00 -0.65 -1.17 -0.00 0.00 0.00 178.16 176.34 1njr s LEU 47 N -5.17 1.71 -0.01 3.88 2.96 -1.26 -1.11 118.68 119.67 1njr s LEU 47 Ca -0.03 0.13 0.03 0.00 -0.22 0.00 0.00 54.13 54.05 1njr s LEU 47 Cb 0.09 0.22 -0.01 0.00 0.50 0.00 0.00 46.19 46.99 1njr s LEU 47 CO 0.31 -0.03 -0.10 0.00 -1.32 0.00 0.00 176.35 175.20 1njr s ILE 49 N -0.13 1.87 -0.13 0.00 1.01 -1.26 -0.58 121.20 121.97 1njr s ILE 49 Ca 0.02 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 59.85 1njr s ILE 49 Cb -0.05 -1.69 0.01 0.00 0.01 0.00 0.00 42.46 40.73 1njr s ILE 49 CO -0.00 0.51 -0.21 -2.28 0.00 0.00 0.00 174.94 172.96 1njr s HIS 50 N 1.13 2.59 -0.32 3.97 2.46 0.10 -4.99 115.29 120.22 1njr s HIS 50 Ca -0.01 -1.29 -0.15 0.00 0.47 0.00 0.00 55.06 54.09 1njr s HIS 50 Cb -0.14 -1.77 -0.02 0.00 -0.13 0.00 0.00 32.58 30.52 1njr s HIS 50 CO -0.07 -0.59 0.34 -1.58 -2.47 0.00 0.00 174.74 170.37 1njr s HIS 51 N 0.81 3.22 -5.00 3.88 2.46 -1.26 -2.31 115.29 117.08 1njr s HIS 51 Ca -0.08 0.04 0.00 0.00 0.47 0.00 0.00 55.06 55.50 1njr s HIS 51 Cb -0.16 -2.61 0.00 0.00 -0.13 0.00 0.00 32.58 29.68 1njr s HIS 51 CO -0.01 -0.37 0.00 0.41 -2.47 0.00 0.00 174.74 172.30 1njr n GLY 52 N 4.94 0.16 3.92 1.59 0.00 -0.59 -4.97 105.19 110.23 1njr n GLY 52 Ca -0.10 -1.72 -0.27 0.00 0.00 0.00 0.00 46.02 43.93 1njr n GLY 52 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1njr s HIS 53 N -2.03 2.98 0.23 1.61 3.76 -1.26 -3.16 115.29 117.41 1njr s HIS 53 Ca 0.00 0.60 -0.07 0.00 -0.15 0.00 0.00 55.06 55.44 1njr s HIS 53 Cb 0.00 -3.25 0.28 0.00 1.11 0.00 0.00 32.58 30.71 1njr s HIS 53 CO 0.00 -1.47 1.84 1.25 -0.85 0.00 0.00 174.74 175.51 1njr h LEU 54 N -0.73 0.74 -0.94 0.89 5.85 -1.95 -1.67 115.31 117.51 1njr h LEU 54 Ca -0.45 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.32 1njr h LEU 54 Cb 1.31 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 42.15 1njr h LEU 54 CO 0.63 0.48 0.61 -0.61 -0.34 0.00 0.00 178.44 179.21 1njr h GLN 55 N 0.88 1.15 -0.94 1.25 5.75 -1.93 -1.66 115.11 119.61 1njr h GLN 55 Ca 0.33 -0.07 0.02 0.00 -0.15 0.00 0.00 58.65 58.78 1njr h GLN 55 Cb 0.14 -0.26 -0.05 0.00 1.07 0.00 0.00 27.48 28.38 1njr h GLN 55 CO -0.16 0.76 0.62 1.03 -2.65 0.00 0.00 178.83 178.43 1njr h SER 56 N 1.19 1.06 0.00 -0.69 0.87 -1.69 0.80 113.55 115.09 1njr h SER 56 Ca 0.37 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.91 1njr h SER 56 Cb -0.00 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.70 1njr h SER 56 CO -0.12 0.76 0.00 -0.11 -0.53 0.00 0.00 176.83 176.83 1njr n LEU 57 N -4.40 0.78 0.00 2.23 7.94 -0.63 -2.16 117.00 120.76 1njr n LEU 57 Ca 0.11 -0.39 0.00 0.00 -1.11 0.00 0.00 56.01 54.62 1njr n LEU 57 Cb 0.03 -0.22 0.00 0.00 0.53 0.00 0.00 43.42 43.76 1njr n LEU 57 CO 0.36 0.15 0.00 0.47 -1.11 0.00 0.00 177.39 177.27 1njr n ASP 59 N 0.46 0.00 -1.32 1.96 8.00 0.27 -4.67 116.55 121.25 1njr n ASP 59 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1njr n ASP 59 Cb 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 1njr n ASP 59 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1njr n SER 60 N 0.00 4.44 0.00 -2.24 3.41 -0.92 -4.17 113.62 114.14 1njr n SER 60 Ca 0.00 -2.24 0.00 0.00 -0.26 0.00 0.00 58.87 56.37 1njr n SER 60 Cb 0.00 -0.89 0.00 0.00 -0.26 0.00 0.00 64.21 63.06 1njr n SER 60 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1njr n ARG 62 N 1.13 0.00 0.00 4.33 0.63 -1.26 -4.37 116.66 117.13 1njr n ARG 62 Ca 0.00 0.00 0.05 0.00 -0.92 0.00 0.00 57.85 56.98 1njr n ARG 62 Cb 0.50 -0.26 0.24 0.00 0.45 0.00 0.00 32.46 33.38 1njr n ARG 62 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 1njr n LYS 63 N 0.00 0.13 0.00 -0.14 2.85 -1.26 -2.12 118.16 117.62 1njr n LYS 63 Ca 0.00 0.20 0.00 0.00 -1.05 0.00 0.00 58.31 57.46 1njr n LYS 63 Cb 0.00 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 32.88 1njr n LYS 63 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1njr n GLY 64 N -0.49 0.43 0.91 2.58 0.00 -1.26 -4.69 105.19 102.67 1njr n GLY 64 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1njr n GLY 64 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1njr n ASP 65 N -0.32 2.30 -2.92 1.61 2.03 -0.90 -5.14 116.55 113.21 1njr n ASP 65 Ca 0.00 -2.24 -0.34 0.00 0.52 0.00 0.00 54.79 52.73 1njr n ASP 65 Cb 0.05 -0.55 -0.01 0.00 -0.72 0.00 0.00 41.12 39.88 1njr n ASP 65 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1njr n ALA 66 N 0.14 6.50 0.00 -1.67 0.00 -1.26 -5.02 120.51 119.20 1njr n ALA 66 Ca 0.08 -3.70 0.00 0.00 0.00 0.00 0.00 53.44 49.82 1njr n ALA 66 Cb 0.53 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.74 1njr n ALA 66 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1njr n HIS 71 N 0.58 0.00 -5.06 0.00 -0.00 -1.26 -5.18 115.22 104.30 1njr n HIS 71 Ca 0.53 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.95 1njr n HIS 71 Cb 0.38 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 30.21 1njr n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1njr s SER 72 N 0.00 2.66 0.12 0.41 0.15 -1.26 -4.64 113.70 111.13 1njr s SER 72 Ca 0.00 -0.45 0.05 0.00 0.70 0.00 0.00 55.95 56.25 1njr s SER 72 Cb 0.00 -0.84 -0.04 0.00 -1.71 0.00 0.00 66.02 63.44 1njr s SER 72 CO 0.00 0.19 -0.11 -0.31 1.20 0.00 0.00 173.24 174.20 1njr s TYR 73 N 0.04 1.23 0.04 3.44 1.51 -0.52 0.34 117.35 123.42 1njr s TYR 73 Ca -0.07 -0.64 0.09 0.00 -1.01 0.00 0.00 57.07 55.44 1njr s TYR 73 Cb -0.14 -0.65 -0.03 0.00 -0.11 0.00 0.00 41.96 41.04 1njr s TYR 73 CO 0.04 0.07 -0.25 0.00 -1.11 0.00 0.00 175.55 174.30 1njr s ALA 74 N -2.54 2.14 -0.02 3.71 0.00 -0.79 -0.93 121.76 123.34 1njr s ALA 74 Ca 0.09 -1.22 0.06 0.00 0.00 0.00 0.00 51.96 50.89 1njr s ALA 74 Cb -0.02 -0.45 -0.01 0.00 0.00 0.00 0.00 23.12 22.63 1njr s ALA 74 CO 0.01 0.50 -0.19 -1.50 0.00 0.00 0.00 175.76 174.59 1njr s ILE 75 N -0.79 1.52 -0.10 0.00 2.07 0.02 -0.93 121.20 122.99 1njr s ILE 75 Ca 0.11 -0.81 -0.22 0.00 -1.41 0.00 0.00 60.65 58.32 1njr s ILE 75 Cb -0.10 -1.27 -0.04 0.00 0.13 0.00 0.00 42.46 41.19 1njr s ILE 75 CO 0.02 0.43 0.65 -0.69 -1.91 0.00 0.00 174.94 173.44 1njr s VAL 76 N -0.35 5.07 -0.45 4.00 1.01 -0.10 -0.68 120.40 128.90 1njr s VAL 76 Ca 0.05 1.31 0.01 0.00 0.00 0.00 0.00 61.98 63.35 1njr s VAL 76 Cb -0.08 -3.98 0.12 0.00 0.00 0.00 0.00 36.38 32.43 1njr s VAL 76 CO -0.00 0.24 0.21 -0.55 0.00 0.00 0.00 175.10 175.00 1njr s SER 77 N 0.83 4.92 -1.06 3.32 0.15 -0.33 -4.68 113.70 116.84 1njr s SER 77 Ca 0.34 -2.41 -0.04 0.00 0.70 0.00 0.00 55.95 54.54 1njr s SER 77 Cb -0.17 -1.74 0.15 0.00 -1.71 0.00 0.00 66.02 62.56 1njr s SER 77 CO 0.15 -0.40 2.35 -0.81 1.20 0.00 0.00 173.24 175.73 1njr n PRO 78 N 4.00 4.19 0.00 5.44 -0.04 -1.26 -1.23 135.00 146.11 1njr n PRO 78 Ca 0.03 -3.44 0.00 0.00 -0.04 0.00 0.00 63.50 60.05 1njr n PRO 78 Cb 0.39 -2.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.37 1njr n PRO 78 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1njr n GLY 79 N 1.11 0.69 3.80 0.55 0.00 -1.25 -4.18 105.19 105.92 1njr n GLY 79 Ca 0.57 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.35 1njr n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1njr s ASN 80 N -1.00 4.68 0.06 1.61 2.20 -1.26 -0.48 114.94 120.75 1njr s ASN 80 Ca 0.00 -0.96 0.08 0.00 -0.94 0.00 0.00 52.86 51.04 1njr s ASN 80 Cb 0.00 -0.46 0.38 0.00 -2.00 0.00 0.00 41.25 39.17 1njr s ASN 80 CO 0.00 -0.62 1.25 -1.20 -2.94 0.00 0.00 177.10 173.60 1njr n SER 81 N -1.39 0.12 -0.16 3.54 7.64 -0.19 -2.70 113.62 120.49 1njr n SER 81 Ca 0.01 0.55 0.06 0.00 1.01 0.00 0.00 58.87 60.49 1njr n SER 81 Cb 0.63 -0.57 -0.03 0.00 -1.01 0.00 0.00 64.21 63.24 1njr n SER 81 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1njr n TYR 82 N -1.65 0.00 -0.72 1.43 4.01 -1.26 -0.83 117.16 118.13 1njr n TYR 82 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1njr n TYR 82 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.09 1njr n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1njr n GLY 83 N 1.13 0.73 3.77 2.72 0.00 -1.10 -4.88 105.19 107.57 1njr n GLY 83 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 1njr n GLY 83 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1njr s TYR 84 N -2.61 3.01 -0.73 1.61 2.02 -1.26 -4.66 117.35 114.72 1njr s TYR 84 Ca 0.00 1.49 -0.04 0.00 -0.37 0.00 0.00 57.07 58.15 1njr s TYR 84 Cb 0.00 -3.53 0.19 0.00 -0.40 0.00 0.00 41.96 38.21 1njr s TYR 84 CO 0.00 -1.64 0.58 -0.51 -1.57 0.00 0.00 175.55 172.42 1njr s LEU 85 N -2.29 5.52 0.26 -1.29 1.43 -1.26 -4.53 118.68 116.53 1njr s LEU 85 Ca 0.55 -3.10 0.03 0.00 -1.03 0.00 0.00 54.13 50.58 1njr s LEU 85 Cb -0.35 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 43.92 1njr s LEU 85 CO 0.45 -0.34 0.21 -0.83 0.23 0.00 0.00 176.35 176.07 1njr s GLY 86 N 0.62 1.85 0.00 -3.19 0.00 -1.26 -4.27 107.32 101.07 1njr s GLY 86 Ca 0.20 -1.86 0.00 0.00 0.00 0.00 0.00 44.72 43.06 1njr s GLY 86 CO -0.07 -1.42 0.00 0.61 0.00 0.00 0.00 173.10 172.23 1njr n GLY 87 N -0.44 0.99 0.00 0.20 0.00 -1.26 -4.15 105.19 100.53 1njr n GLY 87 Ca 0.05 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.05 1njr n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1njr n GLY 88 N 0.00 -0.03 0.28 -0.02 0.00 -1.26 -4.49 105.19 99.67 1njr n GLY 88 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1njr n GLY 88 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1njr h PHE 89 N 0.00 0.71 -0.50 1.61 3.57 -2.00 -1.77 116.94 118.55 1njr h PHE 89 Ca 0.00 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 1njr h PHE 89 Cb 0.00 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 1njr h PHE 89 CO 0.00 0.27 0.22 -0.44 -2.23 0.00 0.00 178.31 176.13 1njr h ASP 90 N 0.67 0.64 -0.18 0.41 3.32 -1.89 -0.88 116.42 118.51 1njr h ASP 90 Ca 0.36 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.33 1njr h ASP 90 Cb 0.36 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1njr h ASP 90 CO -0.26 0.57 0.07 0.50 -1.72 0.00 0.00 179.24 178.40 1njr h LYS 91 N 0.71 0.35 -0.40 3.56 1.63 -1.48 0.40 116.57 121.34 1njr h LYS 91 Ca 0.17 -0.04 -0.10 0.00 -0.85 0.00 0.00 60.65 59.83 1njr h LYS 91 Cb 0.12 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.67 1njr h LYS 91 CO -0.02 0.32 -0.15 0.00 -3.45 0.00 0.00 179.45 176.15 1njr h ALA 92 N 1.73 0.55 -0.55 5.00 0.00 -0.97 -0.72 119.26 124.30 1njr h ALA 92 Ca 0.09 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1njr h ALA 92 Cb 0.13 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1njr h ALA 92 CO -0.00 0.47 0.10 -0.07 0.00 0.00 0.00 179.25 179.75 1njr h LEU 93 N 0.61 0.86 -0.18 0.00 4.07 -0.58 0.53 115.31 120.63 1njr h LEU 93 Ca 0.09 -0.25 0.05 0.00 0.08 0.00 0.00 57.88 57.85 1njr h LEU 93 Cb 0.70 -0.23 -0.05 0.00 1.08 0.00 0.00 40.66 42.16 1njr h LEU 93 CO 0.05 0.89 -0.15 0.22 -1.08 0.00 0.00 178.44 178.37 1njr h TYR 94 N 0.79 -0.38 -0.48 1.13 5.03 0.01 -0.36 116.97 122.71 1njr h TYR 94 Ca 0.17 0.03 -0.13 0.00 2.58 0.00 0.00 58.73 61.37 1njr h TYR 94 Cb 0.39 0.20 -0.01 0.00 1.55 0.00 0.00 36.73 38.86 1njr h TYR 94 CO 0.03 -0.22 -0.22 -0.91 -1.32 0.00 0.00 178.16 175.52 1njr h ASN 95 N -0.16 1.02 -0.61 -2.11 2.35 -0.95 0.40 115.58 115.52 1njr h ASN 95 Ca 0.11 -0.39 -0.07 0.00 -0.55 0.00 0.00 56.30 55.41 1njr h ASN 95 Cb 0.33 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 1njr h ASN 95 CO -0.28 1.18 0.13 0.22 -1.65 0.00 0.00 177.43 177.04 1njr h TYR 96 N 0.85 1.06 -0.01 1.19 3.20 -0.49 -3.22 116.97 119.56 1njr h TYR 96 Ca 0.11 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1njr h TYR 96 Cb 0.79 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.76 1njr h TYR 96 CO 0.05 0.88 -0.37 1.19 -1.64 0.00 0.00 178.16 178.28 1njr n PHE 97 N -4.23 0.00 0.00 -3.82 3.72 -0.18 -4.94 117.46 108.00 1njr n PHE 97 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 1njr n PHE 97 Cb 0.26 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 1njr n PHE 97 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1njr n GLY 98 N 1.39 0.04 7.00 1.37 0.00 -1.13 -4.77 105.19 109.09 1njr n GLY 98 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1njr n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1njr n GLY 99 N 0.00 0.26 0.32 -0.02 0.00 0.14 -4.13 105.19 101.77 1njr n GLY 99 Ca 0.00 -0.89 -0.01 0.00 0.00 0.00 0.00 46.02 45.11 1njr n GLY 99 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1njr h LYS 100 N 0.00 -0.07 -0.86 1.61 1.63 -1.99 0.26 116.57 117.16 1njr h LYS 100 Ca 0.00 0.00 0.09 0.00 -0.85 0.00 0.00 60.65 59.90 1njr h LYS 100 Cb 0.00 0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 31.58 1njr h LYS 100 CO 0.00 -0.04 0.56 -1.35 -3.45 0.00 0.00 179.45 175.16 1njr h PRO 101 N -0.07 0.82 -0.27 1.90 0.11 -1.99 -0.50 132.00 132.00 1njr h PRO 101 Ca 0.31 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 66.25 1njr h PRO 101 Cb 0.56 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.49 1njr h PRO 101 CO -0.77 0.54 -0.32 0.35 -0.21 0.00 0.00 178.00 177.59 1njr h PHE 102 N 0.84 0.84 -0.97 0.65 3.57 -1.15 -2.30 116.94 118.42 1njr h PHE 102 Ca 0.39 -0.26 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 1njr h PHE 102 Cb 0.40 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 38.92 1njr h PHE 102 CO -0.00 1.01 0.60 1.49 -2.23 0.00 0.00 178.31 179.18 1njr h GLU 103 N 0.43 1.30 -0.48 1.11 4.81 -0.41 0.22 114.58 121.56 1njr h GLU 103 Ca 0.04 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 1njr h GLU 103 Cb 0.89 -0.28 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 1njr h GLU 103 CO 0.08 0.90 0.13 1.15 -0.73 0.00 0.00 179.01 180.53 1njr h THR 104 N 1.33 1.23 -0.58 0.32 2.02 -1.07 0.27 112.91 116.43 1njr h THR 104 Ca 0.35 -0.81 -0.07 0.00 0.77 0.00 0.00 66.41 66.65 1njr h THR 104 Cb -0.08 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1njr h THR 104 CO -0.07 0.29 0.10 -0.25 0.37 0.00 0.00 175.52 175.96 1njr h TRP 105 N 0.64 1.02 0.14 3.16 7.01 -0.81 -2.41 115.95 124.70 1njr h TRP 105 Ca 0.15 -0.14 -0.01 0.00 2.11 0.00 0.00 58.89 61.00 1njr h TRP 105 Cb 0.31 -0.28 0.00 0.00 -2.10 0.00 0.00 29.16 27.09 1njr h TRP 105 CO 0.02 0.89 -0.07 0.35 -2.79 0.00 0.00 178.44 176.84 1njr h PHE 106 N 0.86 -0.17 -0.57 2.65 3.57 -0.28 -1.44 116.94 121.56 1njr h PHE 106 Ca 0.18 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.69 1njr h PHE 106 Cb 0.41 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.18 1njr h PHE 106 CO 0.03 -0.03 0.38 0.00 -2.23 0.00 0.00 178.31 176.46 1njr h ARG 107 N -0.27 0.73 -0.08 1.11 3.08 -0.90 -1.06 114.38 116.99 1njr h ARG 107 Ca -0.02 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 59.88 1njr h ARG 107 Cb 0.21 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 1njr h ARG 107 CO 0.03 0.48 -0.42 -0.91 -1.07 0.00 0.00 179.97 178.08 1njr h ASN 108 N 0.75 0.19 0.70 7.04 2.35 -1.15 0.86 115.58 126.32 1njr h ASN 108 Ca 0.22 -0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 55.84 1njr h ASN 108 Cb -0.04 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 1njr h ASN 108 CO -0.05 0.59 -0.23 1.56 -1.65 0.00 0.00 177.43 177.65 1njr h GLN 109 N 0.15 0.00 -0.22 0.81 1.08 -0.11 -1.27 115.11 115.55 1njr h GLN 109 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1njr h GLN 109 Cb 0.81 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.24 1njr h GLN 109 CO 0.06 0.23 0.00 1.28 -0.95 0.00 0.00 178.83 179.46 1njr n LEU 110 N -3.54 1.52 0.00 1.46 4.77 -0.69 -4.89 117.00 115.63 1njr n LEU 110 Ca -0.01 -0.69 0.00 0.00 -0.03 0.00 0.00 56.01 55.28 1njr n LEU 110 Cb 0.39 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1njr n LEU 110 CO 0.33 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 1njr n GLY 111 N 1.04 0.87 2.53 -0.72 0.00 -0.48 -3.97 105.19 104.45 1njr n GLY 111 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 1njr n GLY 111 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1njr n GLY 112 N -2.17 1.21 3.64 -0.02 0.00 0.21 -4.96 105.19 103.09 1njr n GLY 112 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1njr n GLY 112 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1njr s ARG 113 N -4.16 2.00 0.04 1.61 1.70 -1.26 -5.06 118.95 113.83 1njr s ARG 113 Ca 0.00 -2.20 -0.31 0.00 -0.47 0.00 0.00 55.73 52.76 1njr s ARG 113 Cb 0.00 -1.39 -0.06 0.00 -0.57 0.00 0.00 34.95 32.93 1njr s ARG 113 CO 0.00 -0.23 1.42 -0.47 -1.08 0.00 0.00 175.30 174.94 1njr s TYR 114 N -2.90 2.93 -0.18 5.89 5.04 -1.26 -4.70 117.35 122.16 1njr s TYR 114 Ca 0.23 0.82 -0.02 0.00 -2.44 0.00 0.00 57.07 55.66 1njr s TYR 114 Cb 0.06 -3.69 -0.01 0.00 0.35 0.00 0.00 41.96 38.67 1njr s TYR 114 CO 0.12 -2.54 -0.10 -1.01 -1.34 0.00 0.00 175.55 170.68 1njr s HIS 115 N 2.05 2.87 0.51 4.97 3.76 -0.01 -5.05 115.29 124.40 1njr s HIS 115 Ca 0.65 -0.95 -0.21 0.00 -0.15 0.00 0.00 55.06 54.40 1njr s HIS 115 Cb -0.34 -1.98 -0.06 0.00 1.11 0.00 0.00 32.58 31.31 1njr s HIS 115 CO 0.28 -0.47 1.15 0.95 -0.85 0.00 0.00 174.74 175.80 1njr s THR 116 N 1.04 3.11 0.31 1.30 -4.23 -1.26 -4.35 115.64 111.56 1njr s THR 116 Ca -0.00 0.75 -0.29 0.00 -1.18 0.00 0.00 61.69 60.96 1njr s THR 116 Cb -0.15 -3.33 -0.11 0.00 1.34 0.00 0.00 72.50 70.25 1njr s THR 116 CO -0.02 -0.10 1.46 -0.69 -0.54 0.00 0.00 174.62 174.74 1njr s VAL 117 N -1.68 2.36 0.00 2.29 1.01 -1.26 -1.82 120.40 121.30 1njr s VAL 117 Ca 0.69 0.33 0.00 0.00 0.00 0.00 0.00 61.98 63.01 1njr s VAL 117 Cb -0.26 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 32.91 1njr s VAL 117 CO 0.30 0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.08 1njr n GLY 118 N 1.44 0.45 3.92 4.51 0.00 -1.25 -5.08 105.19 109.17 1njr n GLY 118 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 1njr n GLY 118 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1njr s SER 119 N -2.09 5.23 -0.14 1.61 1.04 -0.76 -5.06 113.70 113.53 1njr s SER 119 Ca 0.00 -0.65 -0.13 0.00 0.48 0.00 0.00 55.95 55.65 1njr s SER 119 Cb 0.00 -0.58 0.04 0.00 0.10 0.00 0.00 66.02 65.58 1njr s SER 119 CO 0.00 -0.70 0.38 0.00 0.98 0.00 0.00 173.24 173.90 1njr s ALA 120 N -2.44 -0.94 -0.05 5.32 0.00 -1.26 -4.20 121.76 118.19 1njr s ALA 120 Ca 0.50 1.10 0.01 0.00 0.00 0.00 0.00 51.96 53.57 1njr s ALA 120 Cb -0.05 -0.64 0.02 0.00 0.00 0.00 0.00 23.12 22.45 1njr s ALA 120 CO 0.29 -0.19 -0.03 0.99 0.00 0.00 0.00 175.76 176.82 1njr s THR 121 N 0.28 0.49 -0.14 0.00 2.01 -0.39 -4.98 115.64 112.91 1njr s THR 121 Ca -0.01 -0.07 -0.18 0.00 0.31 0.00 0.00 61.69 61.74 1njr s THR 121 Cb -0.03 -0.54 -0.04 0.00 0.01 0.00 0.00 72.50 71.90 1njr s THR 121 CO -0.00 0.23 0.47 -0.69 -0.69 0.00 0.00 174.62 173.93 1njr s VAL 122 N 1.08 5.18 -0.19 3.82 1.01 -1.26 -0.08 120.40 129.97 1njr s VAL 122 Ca -0.08 0.91 -0.03 0.00 0.00 0.00 0.00 61.98 62.77 1njr s VAL 122 Cb -0.14 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 1njr s VAL 122 CO -0.01 0.30 -0.05 -0.69 0.00 0.00 0.00 175.10 174.65 1njr s VAL 123 N 0.81 3.51 -0.28 2.92 1.01 0.47 -4.98 120.40 123.88 1njr s VAL 123 Ca 0.25 -0.47 -0.21 0.00 0.00 0.00 0.00 61.98 61.55 1njr s VAL 123 Cb -0.15 -2.56 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 1njr s VAL 123 CO 0.10 0.46 0.65 -0.62 0.00 0.00 0.00 175.10 175.69 1njr s ASP 124 N 0.94 6.57 0.03 3.32 -1.08 -1.26 -1.52 116.67 123.66 1njr s ASP 124 Ca -0.00 0.62 0.27 0.00 -0.52 0.00 0.00 52.55 52.92 1njr s ASP 124 Cb -0.15 -2.35 0.97 0.00 -1.46 0.00 0.00 42.92 39.94 1njr s ASP 124 CO 0.01 -0.44 1.76 0.18 0.52 0.00 0.00 175.17 177.19 1njr n LEU 125 N 5.83 0.24 -0.39 -1.34 4.77 0.17 -3.92 117.00 122.36 1njr n LEU 125 Ca -0.00 0.37 0.35 0.00 -0.03 0.00 0.00 56.01 56.69 1njr n LEU 125 Cb 0.49 -0.40 0.68 0.00 -2.33 0.00 0.00 43.42 41.85 1njr n LEU 125 CO 0.45 0.01 1.30 -0.61 -1.33 0.00 0.00 177.39 177.21 1njr h GLN 126 N 0.00 0.11 -0.16 3.23 5.75 -1.91 0.35 115.11 122.48 1njr h GLN 126 Ca 0.00 -0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.54 1njr h GLN 126 Cb 0.54 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.05 1njr h GLN 126 CO 0.00 0.08 0.25 0.00 -2.65 0.00 0.00 178.83 176.50 1njr h ARG 127 N 0.12 0.00 -0.70 1.69 3.08 -1.95 -1.66 114.38 114.96 1njr h ARG 127 Ca 0.66 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.80 1njr h ARG 127 Cb 2.31 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 32.31 1njr h ARG 127 CO -0.16 0.00 0.46 0.00 -1.07 0.00 0.00 179.97 179.21 1njr h LEU 129 N 0.64 0.00 -0.83 0.00 5.85 -1.50 -3.42 115.31 116.06 1njr h LEU 129 Ca 0.32 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.04 1njr h LEU 129 Cb 0.40 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1njr h LEU 129 CO -0.11 0.05 0.00 1.21 -0.34 0.00 0.00 178.44 179.25 1njr n GLU 130 N -3.27 1.56 0.00 1.25 2.13 -0.14 -5.14 120.64 117.03 1njr n GLU 130 Ca -0.01 -0.82 0.00 0.00 0.66 0.00 0.00 57.16 56.99 1njr n GLU 130 Cb 0.23 -1.45 0.00 0.00 0.27 0.00 0.00 31.44 30.49 1njr n GLU 130 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1njr n GLU 135 N 0.01 0.00 -2.03 5.31 1.02 -1.26 -5.04 120.64 118.64 1njr n GLU 135 Ca 0.19 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.98 1njr n GLU 135 Cb 0.30 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 31.75 1njr n GLU 135 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1njr s ARG 137 N -3.52 0.39 2.93 0.00 6.06 -1.26 -5.11 118.95 118.44 1njr s ARG 137 Ca 0.73 0.50 0.00 0.00 -2.50 0.00 0.00 55.73 54.46 1njr s ARG 137 Cb -0.25 -0.33 0.00 0.00 0.06 0.00 0.00 34.95 34.43 1njr s ARG 137 CO 0.33 -0.72 0.00 -3.47 -2.50 0.00 0.00 175.30 168.94 1njr n ASP 138 N 5.37 -1.70 -0.65 -2.12 -0.08 -1.26 -3.42 116.55 112.69 1njr n ASP 138 Ca -0.02 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.31 1njr n ASP 138 Cb 0.50 0.00 0.15 0.00 2.34 0.00 0.00 41.12 44.11 1njr n ASP 138 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1njr n GLY 139 N 0.00 0.67 3.59 0.27 0.00 -1.26 -4.83 105.19 103.62 1njr n GLY 139 Ca 0.00 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 1njr n GLY 139 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1njr s ILE 140 N -1.55 3.93 -0.16 -0.61 -1.09 -1.22 -1.44 121.20 119.06 1njr s ILE 140 Ca 0.23 0.88 0.18 0.00 -2.23 0.00 0.00 60.65 59.72 1njr s ILE 140 Cb 0.12 -4.46 -0.26 0.00 -1.58 0.00 0.00 42.46 36.29 1njr s ILE 140 CO 0.15 -1.06 0.20 -1.14 -1.23 0.00 0.00 174.94 171.86 1njr n ARG 141 N 8.32 0.68 -4.24 2.79 0.63 -0.10 -4.79 116.66 119.95 1njr n ARG 141 Ca 0.13 -0.02 -0.22 0.00 -0.92 0.00 0.00 57.85 56.82 1njr n ARG 141 Cb 0.49 -1.54 -0.12 0.00 0.45 0.00 0.00 32.46 31.73 1njr n ARG 141 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1njr s TYR 142 N -2.70 1.56 -0.13 -0.14 2.02 -1.03 0.41 117.35 117.34 1njr s TYR 142 Ca -0.09 -0.44 0.02 0.00 -0.37 0.00 0.00 57.07 56.19 1njr s TYR 142 Cb 0.08 -0.86 0.02 0.00 -0.40 0.00 0.00 41.96 40.79 1njr s TYR 142 CO 0.84 0.15 -0.17 0.42 -1.57 0.00 0.00 175.55 175.22 1njr s ILE 143 N -1.24 1.71 -0.43 2.71 1.01 -0.58 -0.80 121.20 123.59 1njr s ILE 143 Ca 0.03 -0.75 -0.16 0.00 0.00 0.00 0.00 60.65 59.78 1njr s ILE 143 Cb -0.10 -1.55 0.03 0.00 0.01 0.00 0.00 42.46 40.85 1njr s ILE 143 CO 0.03 0.48 0.35 -0.63 0.00 0.00 0.00 174.94 175.17 1njr s ILE 144 N 1.08 5.22 -0.38 2.92 1.01 0.14 -0.39 121.20 130.80 1njr s ILE 144 Ca -0.03 -0.69 -0.28 0.00 0.00 0.00 0.00 60.65 59.65 1njr s ILE 144 Cb -0.14 -4.00 0.02 0.00 0.01 0.00 0.00 42.46 38.35 1njr s ILE 144 CO -0.05 -0.39 1.04 -2.28 0.00 0.00 0.00 174.94 173.26 1njr s HIS 145 N 1.76 3.03 -0.54 3.97 5.65 0.88 -1.19 115.29 128.86 1njr s HIS 145 Ca 0.06 0.90 0.04 0.00 0.25 0.00 0.00 55.06 56.31 1njr s HIS 145 Cb -0.20 -3.88 0.16 0.00 -1.18 0.00 0.00 32.58 27.48 1njr s HIS 145 CO 0.10 -0.93 0.36 0.08 -0.65 0.00 0.00 174.74 173.70 1njr s VAL 146 N 3.81 1.81 0.23 0.89 1.01 -0.37 -1.27 120.40 126.51 1njr s VAL 146 Ca 0.43 -3.29 -0.32 0.00 0.00 0.00 0.00 61.98 58.81 1njr s VAL 146 Cb -0.11 -2.22 -0.13 0.00 0.00 0.00 0.00 36.38 33.92 1njr s VAL 146 CO 0.21 -1.01 1.55 -0.81 0.00 0.00 0.00 175.10 175.04 1njr n PRO 147 N 2.76 2.36 -0.00 2.72 -0.04 -1.26 -3.75 135.00 137.79 1njr n PRO 147 Ca 0.17 0.85 0.03 0.00 -0.04 0.00 0.00 63.50 64.51 1njr n PRO 147 Cb 0.38 -2.59 -0.04 0.00 -0.04 0.00 0.00 33.50 31.20 1njr n PRO 147 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1njr n THR 148 N 2.59 0.00 -3.83 0.52 -2.24 0.37 -3.91 114.28 107.78 1njr n THR 148 Ca 0.12 -0.31 -0.12 0.00 -2.27 0.00 0.00 64.05 61.47 1njr n THR 148 Cb 0.33 0.90 -0.09 0.00 -2.10 0.00 0.00 70.33 69.36 1njr n THR 148 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1njr s VAL 149 N -1.76 0.08 0.04 2.28 -7.23 -1.15 -5.01 120.40 107.65 1njr s VAL 149 Ca 0.02 -0.66 -0.23 0.00 -1.81 0.00 0.00 61.98 59.29 1njr s VAL 149 Cb 0.05 -0.57 -0.16 0.00 0.56 0.00 0.00 36.38 36.27 1njr s VAL 149 CO 0.28 -0.37 1.47 0.58 -0.31 0.00 0.00 175.10 176.75 1njr h VAL 150 N 4.01 1.25 -2.29 1.32 2.07 -1.94 -0.48 116.25 120.19 1njr h VAL 150 Ca -0.31 -0.76 -0.07 0.00 0.82 0.00 0.00 66.70 66.38 1njr h VAL 150 Cb 1.19 1.62 -0.20 0.00 -1.52 0.00 0.00 31.29 32.38 1njr h VAL 150 CO 0.42 0.21 0.05 0.00 0.02 0.00 0.00 177.57 178.27 1njr s ALA 151 N -4.99 -1.49 0.00 1.67 0.00 -1.26 -2.78 121.76 112.90 1njr s ALA 151 Ca -0.14 1.16 -0.04 0.00 0.00 0.00 0.00 51.96 52.94 1njr s ALA 151 Cb 0.04 -0.16 -0.19 0.00 0.00 0.00 0.00 23.12 22.81 1njr s ALA 151 CO 0.69 -0.33 2.86 -0.35 0.00 0.00 0.00 175.76 178.63 1njr n PRO 152 N 1.33 1.52 0.00 0.00 -0.04 -1.26 -4.37 135.00 132.18 1njr n PRO 152 Ca -0.19 -0.69 0.14 0.00 -0.04 0.00 0.00 63.50 62.72 1njr n PRO 152 Cb 0.57 -1.78 0.65 0.00 -0.04 0.00 0.00 33.50 32.90 1njr n PRO 152 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1njr n SER 153 N 2.42 0.00 -3.61 3.54 3.41 -1.26 -4.91 113.62 113.21 1njr n SER 153 Ca 0.30 0.34 -0.01 0.00 -0.26 0.00 0.00 58.87 59.24 1njr n SER 153 Cb 0.71 -0.44 -0.01 0.00 -0.26 0.00 0.00 64.21 64.20 1njr n SER 153 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1njr s ALA 154 N -2.89 -2.22 0.70 7.33 0.00 -1.26 -5.16 121.76 118.26 1njr s ALA 154 Ca 0.18 1.26 -0.15 0.00 0.00 0.00 0.00 51.96 53.25 1njr s ALA 154 Cb 0.19 0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.38 1njr s ALA 154 CO 0.51 -0.81 1.16 -2.14 0.00 0.00 0.00 175.76 174.49 1njr s PRO 155 N -2.30 2.40 -0.03 0.00 0.02 -1.26 -4.78 135.00 129.06 1njr s PRO 155 Ca 0.12 1.60 0.19 0.00 0.02 0.00 0.00 61.00 62.92 1njr s PRO 155 Cb 0.02 -1.88 -0.21 0.00 0.02 0.00 0.00 34.50 32.45 1njr s PRO 155 CO -0.04 -1.60 0.53 0.44 -0.33 0.00 0.00 177.00 176.00 1njr n ILE 156 N -2.62 0.94 -2.44 2.83 -5.35 0.51 -4.95 119.36 108.28 1njr n ILE 156 Ca 0.12 -0.69 -0.38 0.00 -0.27 0.00 0.00 62.75 61.53 1njr n ILE 156 Cb 0.51 -0.47 -0.03 0.00 -1.74 0.00 0.00 39.64 37.91 1njr n ILE 156 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 1njr s PHE 157 N -2.96 3.27 -0.13 4.28 5.36 -0.98 -4.80 117.98 122.03 1njr s PHE 157 Ca -0.06 1.63 -0.04 0.00 -0.96 0.00 0.00 56.93 57.50 1njr s PHE 157 Cb 0.09 -3.26 0.06 0.00 -0.34 0.00 0.00 43.02 39.57 1njr s PHE 157 CO 0.84 -0.85 0.15 1.21 -1.46 0.00 0.00 175.22 175.11 1njr s ASN 158 N -1.25 1.28 0.66 6.13 3.84 -1.26 -5.00 114.94 119.34 1njr s ASN 158 Ca 0.54 -0.03 0.34 0.00 0.21 0.00 0.00 52.86 53.93 1njr s ASN 158 Cb -0.27 0.16 1.87 0.00 -0.55 0.00 0.00 41.25 42.45 1njr s ASN 158 CO 0.35 -0.29 2.05 1.55 -2.79 0.00 0.00 177.10 177.97 1njr h PRO 159 N 8.37 0.00 -0.05 0.43 0.13 -1.98 -1.00 132.00 137.89 1njr h PRO 159 Ca -0.14 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.91 1njr h PRO 159 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1njr h PRO 159 CO 0.21 0.00 -0.32 1.96 -0.23 0.00 0.00 178.00 179.62 1njr h GLN 160 N 0.00 0.10 -2.28 0.86 4.20 -2.03 -3.36 115.11 112.61 1njr h GLN 160 Ca 0.00 -0.04 -0.56 0.00 0.06 0.00 0.00 58.65 58.12 1njr h GLN 160 Cb 0.46 -0.01 -0.36 0.00 0.30 0.00 0.00 27.48 27.87 1njr h GLN 160 CO 0.00 0.42 -0.94 1.21 -0.67 0.00 0.00 178.83 178.85 1njr s ASN 161 N -6.91 1.29 0.38 1.46 3.84 -0.38 -4.99 114.94 109.63 1njr s ASN 161 Ca -0.04 -2.91 0.05 0.00 0.21 0.00 0.00 52.86 50.18 1njr s ASN 161 Cb 0.14 -0.26 0.77 0.00 -0.55 0.00 0.00 41.25 41.35 1njr s ASN 161 CO 0.74 -0.17 2.04 -0.65 -2.79 0.00 0.00 177.10 176.26 1njr h PRO 162 N 5.69 0.66 0.87 0.43 0.11 -1.71 -2.27 132.00 135.79 1njr h PRO 162 Ca 0.24 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.27 1njr h PRO 162 Cb 0.93 -0.15 0.01 0.00 0.11 0.00 0.00 31.00 31.90 1njr h PRO 162 CO 0.34 0.44 -0.42 -0.07 -0.21 0.00 0.00 178.00 178.08 1njr h LEU 163 N 0.68 -0.99 -1.37 2.35 -0.00 -1.94 0.34 115.31 114.39 1njr h LEU 163 Ca 0.19 0.03 -0.06 0.00 -0.00 0.00 0.00 57.88 58.04 1njr h LEU 163 Cb -0.07 0.26 -0.01 0.00 -0.00 0.00 0.00 40.66 40.83 1njr h LEU 163 CO -0.04 -0.63 -0.28 0.11 -0.00 0.00 0.00 178.44 177.59 1njr h LYS 164 N -1.31 0.05 -0.12 1.13 1.79 -1.94 0.12 116.57 116.29 1njr h LYS 164 Ca -0.12 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 1njr h LYS 164 Cb 0.89 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.54 1njr h LYS 164 CO 0.20 0.33 0.00 0.25 -1.08 0.00 0.00 179.45 179.15 1njr n THR 165 N -4.18 0.38 0.00 -0.16 -2.24 -0.86 -4.41 114.28 102.81 1njr n THR 165 Ca -0.02 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 1njr n THR 165 Cb 0.34 0.93 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 1njr n THR 165 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1njr n GLY 166 N 0.49 -0.09 0.19 3.38 0.00 0.10 -3.93 105.19 105.33 1njr n GLY 166 Ca 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.03 1njr n GLY 166 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1njr h PHE 167 N 0.00 0.50 0.39 1.61 0.04 -1.02 -2.83 116.94 115.64 1njr h PHE 167 Ca 0.00 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 1njr h PHE 167 Cb 0.00 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 37.99 1njr h PHE 167 CO 0.00 0.29 -0.19 1.49 -0.60 0.00 0.00 178.31 179.30 1njr h GLU 168 N 0.54 -0.50 -0.69 1.51 4.81 -0.98 -1.79 114.58 117.47 1njr h GLU 168 Ca 0.19 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.50 1njr h GLU 168 Cb 0.03 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.48 1njr h GLU 168 CO -0.09 -0.21 0.46 -1.00 -0.73 0.00 0.00 179.01 177.44 1njr h PRO 169 N -0.80 0.75 -0.22 0.92 0.13 -1.77 -0.15 132.00 130.88 1njr h PRO 169 Ca -0.05 -0.05 -0.13 0.00 -0.87 0.00 0.00 66.00 64.90 1njr h PRO 169 Cb 0.53 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 31.49 1njr h PRO 169 CO 0.09 0.50 -0.37 0.28 -0.23 0.00 0.00 178.00 178.27 1njr h VAL 170 N 0.77 1.32 -0.31 1.56 2.07 -1.53 -2.03 116.25 118.10 1njr h VAL 170 Ca 0.29 -1.58 0.01 0.00 0.82 0.00 0.00 66.70 66.23 1njr h VAL 170 Cb 0.16 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 1njr h VAL 170 CO -0.09 0.49 0.20 0.15 0.02 0.00 0.00 177.57 178.34 1njr h PHE 171 N 0.32 0.37 -0.99 1.57 3.57 -0.81 -2.83 116.94 118.14 1njr h PHE 171 Ca 0.02 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.55 1njr h PHE 171 Cb 0.96 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.52 1njr h PHE 171 CO 0.09 0.23 0.66 -0.91 -2.23 0.00 0.00 178.31 176.14 1njr h ASN 172 N 0.40 1.12 0.00 0.41 2.35 -1.02 0.87 115.58 119.71 1njr h ASN 172 Ca 0.12 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1njr h ASN 172 Cb -0.03 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.07 1njr h ASN 172 CO -0.04 0.79 0.00 0.00 -1.65 0.00 0.00 177.43 176.54 1njr n ALA 173 N -2.37 1.67 0.00 -0.83 0.00 -0.77 -1.11 120.51 117.10 1njr n ALA 173 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1njr n ALA 173 Cb 0.05 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1njr n ALA 173 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1njr n TRP 175 N 0.44 0.00 -0.21 0.00 -0.00 0.30 -1.45 117.44 116.52 1njr n TRP 175 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.50 57.43 1njr n TRP 175 Cb 0.12 0.00 0.03 0.00 -0.00 0.00 0.00 31.31 31.46 1njr n TRP 175 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 1njr h ASN 176 N 0.00 0.77 -0.66 5.87 -0.26 -1.35 -2.78 115.58 117.17 1njr h ASN 176 Ca 0.00 -0.13 -0.01 0.00 -0.56 0.00 0.00 56.30 55.60 1njr h ASN 176 Cb 0.00 -0.20 -0.03 0.00 -1.06 0.00 0.00 38.32 37.03 1njr h ASN 176 CO 0.00 0.69 0.38 0.00 -1.06 0.00 0.00 177.43 177.44 1njr h ALA 177 N 1.11 0.85 0.00 -0.83 0.00 -1.50 -1.11 119.26 117.78 1njr h ALA 177 Ca 0.20 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1njr h ALA 177 Cb 0.12 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1njr h ALA 177 CO -0.02 0.34 0.00 1.28 0.00 0.00 0.00 179.25 180.85 1njr n LEU 178 N -4.55 0.91 0.00 0.00 4.77 -1.05 -2.13 117.00 114.95 1njr n LEU 178 Ca 0.05 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 1njr n LEU 178 Cb 0.07 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1njr n LEU 178 CO 0.37 0.17 0.00 1.41 -1.33 0.00 0.00 177.39 178.01 1njr n HIS 180 N 0.57 0.00 -2.07 -1.77 8.25 -0.42 -4.92 115.22 114.86 1njr n HIS 180 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 1njr n HIS 180 Cb 0.17 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.25 1njr n HIS 180 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1njr s SER 181 N 0.00 6.72 0.31 0.41 0.01 -0.91 -4.92 113.70 115.32 1njr s SER 181 Ca 0.00 2.23 -0.29 0.00 1.31 0.00 0.00 55.95 59.20 1njr s SER 181 Cb 0.00 -2.55 -0.12 0.00 0.21 0.00 0.00 66.02 63.56 1njr s SER 181 CO 0.00 -0.86 1.36 -2.65 0.41 0.00 0.00 173.24 171.51 1njr n PRO 182 N 6.33 2.18 0.20 12.44 -0.02 -1.26 -4.86 135.00 150.01 1njr n PRO 182 Ca 0.16 0.77 0.14 0.00 -2.02 0.00 0.00 63.50 62.55 1njr n PRO 182 Cb 0.43 -2.40 0.65 0.00 -0.02 0.00 0.00 33.50 32.16 1njr n PRO 182 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1njr h LYS 183 N 3.26 0.00 -0.00 -0.52 1.57 -1.99 -3.08 116.57 115.81 1njr h LYS 183 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1njr h LYS 183 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1njr h LYS 183 CO 0.68 0.00 -0.17 -0.40 -0.57 0.00 0.00 179.45 178.99 1njr n ASP 184 N -2.54 0.49 -4.86 0.86 5.75 -1.26 -4.94 116.55 110.05 1njr n ASP 184 Ca 0.00 -0.44 -0.31 0.00 -0.01 0.00 0.00 54.79 54.03 1njr n ASP 184 Cb 0.18 -0.05 -0.01 0.00 -1.03 0.00 0.00 41.12 40.21 1njr n ASP 184 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 1njr s ILE 185 N -2.61 4.67 -0.07 2.12 -4.36 -1.17 -4.85 121.20 114.93 1njr s ILE 185 Ca 0.24 0.93 0.06 0.00 -0.26 0.00 0.00 60.65 61.62 1njr s ILE 185 Cb 0.19 -3.81 -0.24 0.00 1.25 0.00 0.00 42.46 39.85 1njr s ILE 185 CO 0.52 -0.92 0.56 0.47 0.24 0.00 0.00 174.94 175.81 1njr n ASP 186 N -2.21 1.31 -3.71 4.36 10.43 0.15 -4.84 116.55 122.06 1njr n ASP 186 Ca 0.06 0.35 -0.12 0.00 2.57 0.00 0.00 54.79 57.64 1njr n ASP 186 Cb 0.54 -0.35 -0.07 0.00 1.84 0.00 0.00 41.12 43.08 1njr n ASP 186 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 1njr s GLY 187 N -5.27 -0.21 -0.19 0.44 0.00 -1.13 -0.27 107.32 100.70 1njr s GLY 187 Ca -0.11 0.20 -0.00 0.00 0.00 0.00 0.00 44.72 44.81 1njr s GLY 187 CO 0.81 -0.04 -0.16 -2.27 0.00 0.00 0.00 173.10 171.44 1njr s LEU 188 N -1.96 2.36 -0.23 0.66 2.96 0.69 -1.89 118.68 121.27 1njr s LEU 188 Ca -0.06 -0.62 -0.16 0.00 -0.22 0.00 0.00 54.13 53.08 1njr s LEU 188 Cb -0.01 -1.54 -0.04 0.00 0.50 0.00 0.00 46.19 45.10 1njr s LEU 188 CO -0.02 -0.01 0.40 -0.63 -1.32 0.00 0.00 176.35 174.77 1njr s ILE 189 N 1.33 5.18 -0.03 6.68 1.01 -0.11 -0.23 121.20 135.03 1njr s ILE 189 Ca 0.05 0.67 0.02 0.00 0.00 0.00 0.00 60.65 61.39 1njr s ILE 189 Cb -0.14 -3.73 0.01 0.00 0.01 0.00 0.00 42.46 38.61 1njr s ILE 189 CO -0.10 0.20 -0.09 -0.63 0.00 0.00 0.00 174.94 174.32 1njr s ILE 190 N 1.71 0.76 0.75 2.92 1.01 0.35 -0.92 121.20 127.78 1njr s ILE 190 Ca 0.18 -0.34 -0.01 0.00 0.00 0.00 0.00 60.65 60.48 1njr s ILE 190 Cb -0.15 -0.69 0.15 0.00 0.01 0.00 0.00 42.46 41.77 1njr s ILE 190 CO 0.09 0.25 1.03 -2.16 0.00 0.00 0.00 174.94 174.14 1njr s PRO 191 N 0.30 1.52 -1.01 2.79 0.04 -1.25 -0.43 135.00 136.94 1njr s PRO 191 Ca -0.05 -1.22 -0.23 0.00 0.04 0.00 0.00 61.00 59.54 1njr s PRO 191 Cb -0.10 -2.32 -0.00 0.00 0.04 0.00 0.00 34.50 32.12 1njr s PRO 191 CO 0.01 -1.58 1.74 0.20 0.04 0.00 0.00 177.00 177.41 1njr s GLY 192 N -4.80 0.72 -0.03 0.56 0.00 -1.25 -4.84 107.32 97.68 1njr s GLY 192 Ca 0.68 -1.98 -0.38 0.00 0.00 0.00 0.00 44.72 43.03 1njr s GLY 192 CO 0.45 3.13 1.39 1.04 0.00 0.00 0.00 173.10 179.11 1njr n LEU 193 N 11.59 1.51 -1.28 0.66 4.77 -1.26 -2.68 117.00 130.31 1njr n LEU 193 Ca 0.39 1.12 -0.16 0.00 -0.03 0.00 0.00 56.01 57.33 1njr n LEU 193 Cb 0.48 -1.12 -0.07 0.00 -2.33 0.00 0.00 43.42 40.38 1njr n LEU 193 CO 0.64 -1.05 -0.15 0.00 -1.33 0.00 0.00 177.39 175.50 1njr n THR 195 N -2.21 0.00 0.00 0.00 -2.24 -1.09 -1.03 114.28 107.71 1njr n THR 195 Ca -0.16 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1njr n THR 195 Cb 0.61 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.54 1njr n THR 195 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1njr n GLY 196 N 1.31 0.82 0.27 3.38 0.00 -1.26 -4.44 105.19 105.27 1njr n GLY 196 Ca 0.14 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.18 1njr n GLY 196 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1njr h TYR 197 N 0.00 0.42 -1.05 1.61 0.05 -1.98 -2.21 116.97 113.82 1njr h TYR 197 Ca 0.00 -0.03 0.28 0.00 0.05 0.00 0.00 58.73 59.04 1njr h TYR 197 Cb 0.00 -0.13 -0.07 0.00 1.01 0.00 0.00 36.73 37.55 1njr h TYR 197 CO 0.00 0.41 0.72 0.00 -1.05 0.00 0.00 178.16 178.23 1njr h ALA 198 N 1.63 2.63 -0.02 3.88 0.00 -1.86 -3.35 119.26 122.17 1njr h ALA 198 Ca 0.10 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1njr h ALA 198 Cb 0.22 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1njr h ALA 198 CO 0.00 -0.98 -0.01 0.41 0.00 0.00 0.00 179.25 178.68 1njr n GLY 199 N -1.62 0.47 3.71 0.00 0.00 -0.83 -0.36 105.19 106.56 1njr n GLY 199 Ca 0.24 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1njr n GLY 199 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1njr s VAL 200 N -1.95 3.88 0.38 1.61 1.01 -0.20 -4.72 120.40 120.41 1njr s VAL 200 Ca 0.00 1.35 -0.28 0.00 0.00 0.00 0.00 61.98 63.05 1njr s VAL 200 Cb 0.00 -3.86 -0.11 0.00 0.00 0.00 0.00 36.38 32.41 1njr s VAL 200 CO 0.00 0.10 1.50 -2.84 0.00 0.00 0.00 175.10 173.86 1njr s PRO 201 N 1.08 4.09 0.31 2.72 0.02 -1.26 -4.30 135.00 137.66 1njr s PRO 201 Ca 0.60 2.60 0.05 0.00 0.02 0.00 0.00 61.00 64.27 1njr s PRO 201 Cb -0.31 -2.96 0.70 0.00 0.02 0.00 0.00 34.50 31.94 1njr s PRO 201 CO 0.29 -0.56 1.82 -1.35 -0.33 0.00 0.00 177.00 176.87 1njr h PRO 202 N 3.03 0.80 -0.69 5.54 0.11 -1.93 0.08 132.00 138.95 1njr h PRO 202 Ca -0.51 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.58 1njr h PRO 202 Cb 1.24 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 1njr h PRO 202 CO 0.64 0.53 0.46 0.97 -0.21 0.00 0.00 178.00 180.39 1njr h ILE 203 N 0.83 1.13 0.01 4.15 6.09 -1.94 0.11 117.51 127.89 1njr h ILE 203 Ca 0.52 -0.30 -0.03 0.00 -1.37 0.00 0.00 64.86 63.68 1njr h ILE 203 Cb 0.73 0.18 0.00 0.00 0.47 0.00 0.00 36.82 38.20 1njr h ILE 203 CO -0.30 0.16 -0.13 0.40 -3.07 0.00 0.00 178.15 175.21 1njr h ILE 204 N 0.87 1.65 -0.30 2.19 2.04 -1.47 -3.05 117.51 119.45 1njr h ILE 204 Ca 0.27 -2.09 0.02 0.00 1.00 0.00 0.00 64.86 64.05 1njr h ILE 204 Cb -0.01 3.05 -0.02 0.00 -0.74 0.00 0.00 36.82 39.09 1njr h ILE 204 CO -0.07 0.55 0.15 -1.28 0.00 0.00 0.00 178.15 177.50 1njr h SER 205 N -0.75 0.22 -0.28 1.72 0.87 -0.82 -2.55 113.55 111.97 1njr h SER 205 Ca -0.02 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.52 1njr h SER 205 Cb 0.98 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.89 1njr h SER 205 CO 0.03 0.17 0.09 0.00 -0.53 0.00 0.00 176.83 176.58 1njr h LYS 207 N 0.51 0.60 -1.64 0.00 3.64 -1.36 -0.11 116.57 118.22 1njr h LYS 207 Ca 0.12 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1njr h LYS 207 Cb 0.20 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1njr h LYS 207 CO -0.00 0.77 0.00 0.43 -2.27 0.00 0.00 179.45 178.37 1njr n SER 208 N -4.48 1.27 0.00 4.20 7.64 -0.99 -1.37 113.62 119.89 1njr n SER 208 Ca -0.02 -0.86 0.00 0.00 1.01 0.00 0.00 58.87 59.00 1njr n SER 208 Cb 0.31 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1njr n SER 208 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1njr n ALA 210 N 0.89 0.00 -0.11 -0.43 0.00 -0.06 -1.66 120.51 119.15 1njr n ALA 210 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1njr n ALA 210 Cb 0.20 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.62 1njr n ALA 210 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1njr h PHE 211 N 0.00 0.63 -0.69 0.00 3.57 -1.48 0.17 116.94 119.14 1njr h PHE 211 Ca 0.00 -0.11 -0.00 0.00 3.53 0.00 0.00 57.97 61.39 1njr h PHE 211 Cb 0.00 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.54 1njr h PHE 211 CO 0.00 0.71 0.43 0.00 -2.23 0.00 0.00 178.31 177.22 1njr h ALA 212 N 0.84 0.88 -0.48 2.41 0.00 -1.59 -1.32 119.26 120.00 1njr h ALA 212 Ca 0.09 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1njr h ALA 212 Cb 0.46 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1njr h ALA 212 CO 0.02 0.34 -0.10 -0.07 0.00 0.00 0.00 179.25 179.43 1njr h LEU 213 N 0.94 0.86 -0.51 0.00 3.38 -1.77 -1.36 115.31 116.85 1njr h LEU 213 Ca 0.25 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1njr h LEU 213 Cb -0.06 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1njr h LEU 213 CO -0.05 0.98 0.16 -0.09 0.09 0.00 0.00 178.44 179.53 1njr h ARG 214 N 0.78 0.79 -0.46 1.13 2.43 -0.58 -2.74 114.38 115.73 1njr h ARG 214 Ca 0.13 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1njr h ARG 214 Cb 0.61 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 1njr h ARG 214 CO 0.04 0.74 0.29 -0.07 -1.51 0.00 0.00 179.97 179.46 1njr h LEU 215 N 0.69 0.55 -1.58 3.80 3.38 -1.05 -1.52 115.31 119.58 1njr h LEU 215 Ca 0.16 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1njr h LEU 215 Cb 0.28 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1njr h LEU 215 CO -0.00 0.42 0.00 0.00 0.09 0.00 0.00 178.44 178.94 1njr n TYR 216 N -4.74 0.00 0.00 1.13 9.36 -0.53 -3.76 117.16 118.61 1njr n TYR 216 Ca 0.02 -0.06 0.00 0.00 3.32 0.00 0.00 57.90 61.18 1njr n TYR 216 Cb 0.04 -0.08 0.00 0.00 -0.63 0.00 0.00 39.34 38.66 1njr n TYR 216 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1njr n ALA 218 N 0.69 0.00 -0.86 2.98 0.00 -0.57 -4.91 120.51 117.83 1njr n ALA 218 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1njr n ALA 218 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.53 1njr n ALA 218 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1njr n GLY 219 N -0.20 3.28 0.46 0.00 0.00 -1.25 -1.61 105.19 105.87 1njr n GLY 219 Ca 0.00 -0.16 0.10 0.00 0.00 0.00 0.00 46.02 45.96 1njr n GLY 219 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1njr n ASP 220 N 3.37 1.37 0.16 1.61 5.75 -1.26 -3.83 116.55 123.71 1njr n ASP 220 Ca 0.00 -1.68 0.13 0.00 -0.01 0.00 0.00 54.79 53.22 1njr n ASP 220 Cb 0.00 -0.09 0.54 0.00 -1.03 0.00 0.00 41.12 40.53 1njr n ASP 220 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 1njr h HIS 221 N 1.79 0.00 -3.38 2.11 3.86 -1.70 -3.40 115.15 114.43 1njr h HIS 221 Ca 0.00 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.68 1njr h HIS 221 Cb 0.39 0.00 -0.34 0.00 1.06 0.00 0.00 27.41 28.52 1njr h HIS 221 CO 0.09 0.00 -0.82 0.42 0.86 0.00 0.00 177.93 178.49 1njr s ILE 222 N -3.40 1.18 0.79 2.45 1.01 -1.25 -5.09 121.20 116.90 1njr s ILE 222 Ca 0.03 -0.49 -0.14 0.00 0.00 0.00 0.00 60.65 60.06 1njr s ILE 222 Cb 0.09 -1.09 0.08 0.00 0.01 0.00 0.00 42.46 41.55 1njr s ILE 222 CO 0.41 0.37 1.21 -0.94 0.00 0.00 0.00 174.94 175.99 1njr s SER 223 N 0.78 3.69 0.25 3.58 1.04 -1.26 -4.80 113.70 116.97 1njr s SER 223 Ca -0.12 2.37 -0.06 0.00 0.48 0.00 0.00 55.95 58.63 1njr s SER 223 Cb -0.16 -2.59 0.29 0.00 0.10 0.00 0.00 66.02 63.66 1njr s SER 223 CO 0.02 -2.60 1.91 0.50 0.98 0.00 0.00 173.24 174.05 1njr h LYS 224 N -0.79 1.23 -0.41 4.02 3.64 -1.94 -1.43 116.57 120.90 1njr h LYS 224 Ca -0.47 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 58.72 1njr h LYS 224 Cb 1.30 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 1njr h LYS 224 CO 0.47 0.81 -0.22 1.49 -2.27 0.00 0.00 179.45 179.73 1njr h GLU 225 N 1.27 0.82 -0.17 1.90 4.57 -2.00 -2.09 114.58 118.87 1njr h GLU 225 Ca 0.38 -0.33 -0.13 0.00 -1.18 0.00 0.00 59.36 58.09 1njr h GLU 225 Cb -0.06 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.48 1njr h GLU 225 CO -0.11 0.96 -0.45 1.25 -1.18 0.00 0.00 179.01 179.48 1njr h LEU 226 N 0.71 0.45 -1.14 1.64 5.85 -1.80 -2.13 115.31 118.89 1njr h LEU 226 Ca 0.10 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 1njr h LEU 226 Cb 0.75 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 1njr h LEU 226 CO 0.06 0.84 0.32 0.11 -0.34 0.00 0.00 178.44 179.43 1njr h LYS 227 N 0.34 0.92 -0.71 1.25 1.57 -1.01 0.87 116.57 119.80 1njr h LYS 227 Ca 0.02 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1njr h LYS 227 Cb 0.93 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 33.03 1njr h LYS 227 CO 0.08 0.71 0.46 -0.91 -0.57 0.00 0.00 179.45 179.21 1njr h ASN 228 N 0.92 0.83 -0.35 0.86 2.35 -0.76 -1.39 115.58 118.04 1njr h ASN 228 Ca 0.23 -0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.90 1njr h ASN 228 Cb 0.08 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 1njr h ASN 228 CO -0.03 0.62 0.04 0.58 -1.65 0.00 0.00 177.43 176.99 1njr h VAL 229 N 0.97 1.24 -0.92 2.81 2.07 -0.72 -3.01 116.25 118.70 1njr h VAL 229 Ca 0.26 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1njr h VAL 229 Cb -0.08 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 1njr h VAL 229 CO -0.05 0.29 0.58 -0.07 0.02 0.00 0.00 177.57 178.33 1njr h LEU 230 N 0.41 1.08 -1.54 2.57 3.38 -0.52 -2.06 115.31 118.62 1njr h LEU 230 Ca 0.10 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1njr h LEU 230 Cb 0.38 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1njr h LEU 230 CO 0.01 0.81 0.00 -0.38 0.09 0.00 0.00 178.44 178.97 1njr n ILE 231 N -4.37 0.11 0.00 1.22 5.41 -0.55 -1.10 119.36 120.08 1njr n ILE 231 Ca 0.10 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.85 1njr n ILE 231 Cb 0.04 -0.38 0.00 0.00 -0.71 0.00 0.00 39.64 38.60 1njr n ILE 231 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1njr n TYR 233 N 0.67 0.00 -0.21 1.39 4.01 -0.78 -1.23 117.16 121.01 1njr n TYR 233 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.69 1njr n TYR 233 Cb 0.08 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.16 1njr n TYR 233 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 1njr h TYR 234 N 0.00 0.72 -0.01 -0.72 3.20 -1.36 -1.29 116.97 117.50 1njr h TYR 234 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1njr h TYR 234 Cb 0.00 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.03 1njr h TYR 234 CO 0.00 0.43 0.00 1.28 -1.64 0.00 0.00 178.16 178.23 1njr n LEU 235 N -4.71 0.15 -3.19 2.82 4.77 -0.37 -4.59 117.00 111.89 1njr n LEU 235 Ca 0.05 -0.06 -0.15 0.00 -0.03 0.00 0.00 56.01 55.82 1njr n LEU 235 Cb 0.06 -0.01 0.08 0.00 -2.33 0.00 0.00 43.42 41.21 1njr n LEU 235 CO 0.34 0.03 0.07 0.00 -1.33 0.00 0.00 177.39 176.50 1njr n GLN 236 N -0.75 -4.46 -3.07 3.23 6.02 -0.49 -4.97 117.38 112.90 1njr n GLN 236 Ca 0.17 0.79 -0.24 0.00 -0.01 0.00 0.00 57.00 57.71 1njr n GLN 236 Cb 0.10 -5.56 -0.04 0.00 1.02 0.00 0.00 30.24 25.76 1njr n GLN 236 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1njr n TYR 237 N -3.56 2.59 -1.62 1.08 4.01 -1.26 -5.03 117.16 113.36 1njr n TYR 237 Ca -0.18 -3.93 -0.43 0.00 -0.16 0.00 0.00 57.90 53.19 1njr n TYR 237 Cb 0.64 -0.47 -0.03 0.00 -0.31 0.00 0.00 39.34 39.17 1njr n TYR 237 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1njr n PRO 238 N 0.08 2.32 -3.37 -0.72 -0.04 -1.26 -4.64 135.00 127.36 1njr n PRO 238 Ca 0.29 0.75 -0.23 0.00 -0.04 0.00 0.00 63.50 64.27 1njr n PRO 238 Cb 0.49 -3.12 -0.09 0.00 -0.04 0.00 0.00 33.50 30.73 1njr n PRO 238 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1njr s PHE 239 N 6.65 0.26 0.32 0.54 5.36 -1.26 -5.03 117.98 124.82 1njr s PHE 239 Ca 0.96 -1.39 0.08 0.00 -0.96 0.00 0.00 56.93 55.62 1njr s PHE 239 Cb -0.39 -0.64 0.92 0.00 -0.34 0.00 0.00 43.02 42.56 1njr s PHE 239 CO 0.39 -0.91 1.51 0.39 -1.46 0.00 0.00 175.22 175.14 1njr n GLU 240 N 3.83 -0.07 0.31 10.12 -0.58 -1.26 -0.71 120.64 132.28 1njr n GLU 240 Ca 0.15 1.40 0.17 0.00 -0.42 0.00 0.00 57.16 58.47 1njr n GLU 240 Cb 0.43 -2.32 0.92 0.00 -0.57 0.00 0.00 31.44 29.90 1njr n GLU 240 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 1njr h PRO 241 N 0.00 0.00 -0.63 3.49 0.11 -2.01 0.21 132.00 133.17 1njr h PRO 241 Ca 0.66 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.77 1njr h PRO 241 Cb 1.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.63 1njr h PRO 241 CO -0.85 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.13 1njr n PHE 242 N -2.85 0.84 -3.75 0.65 3.01 0.11 -4.67 117.46 110.81 1njr n PHE 242 Ca -0.02 -0.42 -0.34 0.00 1.01 0.00 0.00 57.45 57.68 1njr n PHE 242 Cb 0.24 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.61 1njr n PHE 242 CO 0.00 0.00 0.00 0.12 1.01 0.00 0.00 176.76 177.89 1njr s PHE 243 N -1.16 3.64 0.74 1.38 2.19 0.74 -4.80 117.98 120.69 1njr s PHE 243 Ca 0.45 -3.05 -0.14 0.00 0.33 0.00 0.00 56.93 54.52 1njr s PHE 243 Cb 0.24 -3.06 0.04 0.00 -1.31 0.00 0.00 43.02 38.93 1njr s PHE 243 CO 0.31 -0.71 1.16 -1.25 1.83 0.00 0.00 175.22 176.56 1njr s PRO 244 N -0.99 2.19 0.29 10.12 0.04 -1.26 -4.87 135.00 140.52 1njr s PRO 244 Ca 0.23 1.58 -0.00 0.00 0.04 0.00 0.00 61.00 62.85 1njr s PRO 244 Cb -0.11 -1.86 0.49 0.00 0.04 0.00 0.00 34.50 33.06 1njr s PRO 244 CO -0.10 -1.76 1.91 1.49 0.04 0.00 0.00 177.00 178.58 1njr h GLU 245 N -0.47 1.05 -0.83 4.56 4.57 -1.98 -0.71 114.58 120.77 1njr h GLU 245 Ca -0.46 -0.06 0.10 0.00 -1.18 0.00 0.00 59.36 57.76 1njr h GLU 245 Cb 1.27 -0.24 -0.06 0.00 -0.16 0.00 0.00 28.75 29.57 1njr h GLU 245 CO 0.50 0.69 0.54 0.66 -1.18 0.00 0.00 179.01 180.22 1njr h SER 246 N 1.08 0.69 0.60 1.04 4.64 -1.99 -0.34 113.55 119.27 1njr h SER 246 Ca 0.40 0.02 -0.15 0.00 -0.47 0.00 0.00 61.79 61.59 1njr h SER 246 Cb 0.17 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 1njr h SER 246 CO -0.15 0.40 -0.70 0.00 -0.87 0.00 0.00 176.83 175.51 1njr h LYS 248 N 0.05 0.87 -0.64 0.00 1.57 -0.82 -0.63 116.57 116.96 1njr h LYS 248 Ca -0.01 -0.42 -0.02 0.00 -1.87 0.00 0.00 60.65 58.33 1njr h LYS 248 Cb 1.24 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.52 1njr h LYS 248 CO 0.10 1.06 0.32 0.82 -0.57 0.00 0.00 179.45 181.18 1njr h ILE 249 N 0.72 1.21 -0.48 1.86 2.04 -0.96 -2.43 117.51 119.47 1njr h ILE 249 Ca 0.07 -0.58 -0.07 0.00 1.00 0.00 0.00 64.86 65.28 1njr h ILE 249 Cb 0.90 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 1njr h ILE 249 CO 0.08 0.24 0.01 -0.08 0.00 0.00 0.00 178.15 178.40 1njr h GLU 250 N 0.87 0.79 -0.34 2.37 4.81 -1.03 -2.36 114.58 119.69 1njr h GLU 250 Ca 0.22 -0.21 0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1njr h GLU 250 Cb 0.09 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 1njr h GLU 250 CO -0.03 0.79 0.19 0.00 -0.73 0.00 0.00 179.01 179.23 1njr h GLN 252 N 0.39 0.98 -0.78 0.00 4.20 -1.24 0.15 115.11 118.80 1njr h GLN 252 Ca 0.14 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 1njr h GLN 252 Cb 0.02 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 27.57 1njr h GLN 252 CO -0.08 0.73 0.38 0.87 -0.67 0.00 0.00 178.83 180.06 1njr h LYS 253 N 0.97 1.13 -0.00 1.46 6.56 -1.03 -2.88 116.57 122.78 1njr h LYS 253 Ca 0.25 -0.17 0.00 0.00 -1.06 0.00 0.00 60.65 59.67 1njr h LYS 253 Cb 0.03 -0.20 0.00 0.00 -0.57 0.00 0.00 32.23 31.49 1njr h LYS 253 CO -0.04 0.87 -0.09 1.28 -2.06 0.00 0.00 179.45 179.41 1njr n LEU 254 N -4.37 0.15 0.00 2.94 4.77 -0.04 -4.92 117.00 115.53 1njr n LEU 254 Ca 0.07 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1njr n LEU 254 Cb 0.14 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 1njr n LEU 254 CO 0.39 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1njr n GLY 255 N 1.42 0.43 3.55 -0.72 0.00 0.01 -4.88 105.19 105.00 1njr n GLY 255 Ca 0.10 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 1njr n GLY 255 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1njr s ILE 256 N -2.00 4.99 -0.24 -0.61 1.01 0.32 -4.93 121.20 119.74 1njr s ILE 256 Ca 0.00 0.29 -0.28 0.00 0.00 0.00 0.00 60.65 60.65 1njr s ILE 256 Cb 0.00 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 1njr s ILE 256 CO 0.00 -0.28 1.95 -0.62 0.00 0.00 0.00 174.94 175.99 1njr s ASP 257 N 1.79 5.82 0.33 3.58 -1.08 -1.26 -4.32 116.67 121.53 1njr s ASP 257 Ca 0.19 1.67 0.04 0.00 -0.52 0.00 0.00 52.55 53.93 1njr s ASP 257 Cb -0.15 -2.52 0.58 0.00 -1.46 0.00 0.00 42.92 39.37 1njr s ASP 257 CO 0.14 -1.70 1.86 0.40 0.52 0.00 0.00 175.17 176.39 1njr h ILE 258 N 6.78 1.20 0.00 4.11 2.04 -1.95 -1.96 117.51 127.73 1njr h ILE 258 Ca -0.38 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 64.65 1njr h ILE 258 Cb 1.20 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 38.26 1njr h ILE 258 CO 0.99 0.28 0.00 -0.62 0.00 0.00 0.00 178.15 178.80 1njr n GLU 259 N -4.26 0.46 0.00 2.37 1.02 -1.26 -1.55 120.64 117.42 1njr n GLU 259 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1njr n GLU 259 Cb 0.26 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 1njr n GLU 259 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1njr n LEU 261 N 0.54 0.00 0.31 -4.62 7.94 -0.74 -2.79 117.00 117.65 1njr n LEU 261 Ca 0.00 0.00 0.20 0.00 -1.11 0.00 0.00 56.01 55.10 1njr n LEU 261 Cb 0.18 0.00 0.99 0.00 0.53 0.00 0.00 43.42 45.12 1njr n LEU 261 CO 0.00 0.00 1.10 0.11 -1.11 0.00 0.00 177.39 177.49 1njr h LYS 262 N 0.00 0.00 -0.05 1.96 1.57 -1.56 -2.32 116.57 116.16 1njr h LYS 262 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1njr h LYS 262 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1njr h LYS 262 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 177.75 1njr n SER 263 N -3.11 2.40 -4.61 0.86 3.41 -1.12 -4.97 113.62 106.47 1njr n SER 263 Ca -0.02 -2.54 -0.52 0.00 -0.26 0.00 0.00 58.87 55.53 1njr n SER 263 Cb 0.17 -0.25 -0.06 0.00 -0.26 0.00 0.00 64.21 63.81 1njr n SER 263 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1njr n PHE 264 N -0.79 1.65 -3.94 7.33 7.35 -0.87 -4.94 117.46 123.24 1njr n PHE 264 Ca 0.10 0.59 -0.31 0.00 -0.76 0.00 0.00 57.45 57.07 1njr n PHE 264 Cb 0.48 -2.37 -0.15 0.00 0.35 0.00 0.00 39.48 37.79 1njr n PHE 264 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1njr s ASN 265 N 1.02 4.45 0.59 -2.13 3.84 -1.26 -4.84 114.94 116.62 1njr s ASN 265 Ca 0.86 -1.86 0.29 0.00 0.21 0.00 0.00 52.86 52.36 1njr s ASN 265 Cb -0.95 -1.38 1.49 0.00 -0.55 0.00 0.00 41.25 39.86 1njr s ASN 265 CO 0.49 -0.36 1.91 1.62 -2.79 0.00 0.00 177.10 177.97 1njr h VAL 266 N 6.60 0.34 0.00 -5.21 3.04 -1.84 0.37 116.25 119.56 1njr h VAL 266 Ca -0.09 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.60 1njr h VAL 266 Cb 1.03 0.63 0.00 0.00 -2.01 0.00 0.00 31.29 30.94 1njr h VAL 266 CO 0.49 0.00 0.00 -0.62 -1.01 0.00 0.00 177.57 176.43 1njr n GLU 267 N -3.66 0.10 0.00 4.17 1.02 -1.26 -4.30 120.64 116.71 1njr n GLU 267 Ca 0.07 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 1njr n GLU 267 Cb 0.63 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 1njr n GLU 267 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1njr n LYS 268 N -1.80 2.19 -3.94 3.49 5.02 0.84 -5.10 118.16 118.86 1njr n LYS 268 Ca 0.06 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.04 1njr n LYS 268 Cb 0.36 -0.73 -0.04 0.00 -0.02 0.00 0.00 35.03 34.60 1njr n LYS 268 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1njr s ASP 269 N -1.66 6.25 0.26 4.39 1.01 0.95 -5.03 116.67 122.83 1njr s ASP 269 Ca 0.00 0.24 -0.30 0.00 0.71 0.00 0.00 52.55 53.21 1njr s ASP 269 Cb 0.00 -1.90 -0.09 0.00 1.01 0.00 0.00 42.92 41.94 1njr s ASP 269 CO 0.00 0.18 1.00 0.00 0.21 0.00 0.00 175.17 176.56 1njr s ALA 270 N -1.47 3.36 -0.07 5.23 0.00 -1.26 -4.70 121.76 122.84 1njr s ALA 270 Ca 0.33 0.72 0.29 0.00 0.00 0.00 0.00 51.96 53.30 1njr s ALA 270 Cb -0.13 -3.25 1.39 0.00 0.00 0.00 0.00 23.12 21.13 1njr s ALA 270 CO 0.26 0.07 1.87 -0.84 0.00 0.00 0.00 175.76 177.12 1njr h ILE 271 N 3.09 0.00 0.00 0.00 3.07 -1.97 -1.82 117.51 119.88 1njr h ILE 271 Ca -0.46 -0.17 -0.01 0.00 1.55 0.00 0.00 64.86 65.78 1njr h ILE 271 Cb 1.20 0.92 -0.00 0.00 -0.27 0.00 0.00 36.82 38.68 1njr h ILE 271 CO 0.67 0.00 -0.04 -0.33 -1.05 0.00 0.00 178.15 177.41 1njr h GLU 272 N 0.00 0.00 -0.67 0.16 3.07 -1.92 -0.94 114.58 114.28 1njr h GLU 272 Ca 0.00 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.82 1njr h GLU 272 Cb 0.21 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.09 1njr h GLU 272 CO 0.00 0.04 0.28 -0.07 -1.40 0.00 0.00 179.01 177.85 1njr h LEU 273 N 0.00 0.92 -0.18 1.33 -0.00 -1.72 -2.55 115.31 113.11 1njr h LEU 273 Ca -0.00 -0.17 -0.23 0.00 -0.00 0.00 0.00 57.88 57.49 1njr h LEU 273 Cb 0.09 -0.24 0.01 0.00 -0.00 0.00 0.00 40.66 40.52 1njr h LEU 273 CO 0.00 0.84 -0.89 -0.07 -0.00 0.00 0.00 178.44 178.32 1njr h LEU 274 N 0.95 0.71 -6.74 1.67 3.38 -1.38 -3.41 115.31 110.48 1njr h LEU 274 Ca 0.23 -0.52 -0.60 0.00 0.09 0.00 0.00 57.88 57.08 1njr h LEU 274 Cb 0.19 -0.21 -0.39 0.00 0.09 0.00 0.00 40.66 40.34 1njr h LEU 274 CO -0.02 1.31 -0.81 -0.63 0.09 0.00 0.00 178.44 178.38 1njr s ILE 275 N -3.46 0.96 0.21 1.22 1.01 -0.71 -4.96 121.20 115.47 1njr s ILE 275 Ca -0.08 -2.51 -0.32 0.00 0.00 0.00 0.00 60.65 57.74 1njr s ILE 275 Cb 0.09 -1.67 -0.13 0.00 0.01 0.00 0.00 42.46 40.76 1njr s ILE 275 CO 0.88 -1.01 1.60 -2.65 0.00 0.00 0.00 174.94 173.77 1njr n PRO 276 N 3.37 2.44 0.32 2.79 -0.02 -0.97 -4.57 135.00 138.36 1njr n PRO 276 Ca 0.15 0.87 0.14 0.00 -2.02 0.00 0.00 63.50 62.65 1njr n PRO 276 Cb 0.38 -2.66 0.73 0.00 -0.02 0.00 0.00 33.50 31.93 1njr n PRO 276 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1njr h ARG 277 N 5.75 0.00 -0.46 -0.52 3.08 -1.97 0.13 114.38 120.40 1njr h ARG 277 Ca -0.45 0.00 0.13 0.00 0.07 0.00 0.00 59.98 59.74 1njr h ARG 277 Cb 1.23 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.27 1njr h ARG 277 CO 0.88 0.00 0.38 -0.09 -1.07 0.00 0.00 179.97 180.07 1njr h ARG 278 N 0.00 0.00 -0.01 0.04 2.43 -1.97 -3.54 114.38 111.34 1njr h ARG 278 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1njr h ARG 278 Cb 0.75 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 1njr h ARG 278 CO 0.00 0.00 0.00 -0.89 -1.51 0.00 0.00 179.97 177.57