#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cfr s ASP 2 N 0.00 5.75 0.33 3.17 2.15 -1.26 -5.03 116.67 121.78 1cfr s ASP 2 Ca 0.00 -0.25 0.16 0.00 0.43 0.00 0.00 52.55 52.89 1cfr s ASP 2 Cb 0.00 -1.28 0.46 0.00 -0.30 0.00 0.00 42.92 41.80 1cfr s ASP 2 CO 0.00 -0.29 1.63 0.16 -0.17 0.00 0.00 175.17 176.50 1cfr h ILE 3 N 1.13 1.00 -3.51 4.11 3.07 -1.94 -3.45 117.51 117.92 1cfr h ILE 3 Ca -0.47 -1.86 -0.36 0.00 1.55 0.00 0.00 64.86 63.72 1cfr h ILE 3 Cb 1.25 2.12 -0.17 0.00 -0.27 0.00 0.00 36.82 39.75 1cfr h ILE 3 CO 0.57 0.46 -0.73 0.27 -1.05 0.00 0.00 178.15 177.67 1cfr s ILE 4 N -3.41 1.19 -0.14 0.16 -4.36 -1.26 -0.31 121.20 113.05 1cfr s ILE 4 Ca 0.01 -1.85 -0.11 0.00 -0.26 0.00 0.00 60.65 58.44 1cfr s ILE 4 Cb 0.10 -1.63 0.04 0.00 1.25 0.00 0.00 42.46 42.23 1cfr s ILE 4 CO 0.72 -0.59 0.37 -0.94 0.24 0.00 0.00 174.94 174.74 1cfr s SER 5 N -2.76 -0.41 0.15 4.36 1.04 -0.17 -4.92 113.70 111.00 1cfr s SER 5 Ca 0.11 0.76 -0.32 0.00 0.48 0.00 0.00 55.95 56.99 1cfr s SER 5 Cb -0.01 0.72 -0.12 0.00 0.10 0.00 0.00 66.02 66.70 1cfr s SER 5 CO 0.01 -0.15 1.75 1.17 0.98 0.00 0.00 173.24 177.00 1cfr n LYS 6 N 3.47 2.64 -0.21 4.02 4.81 -1.26 0.42 118.16 132.04 1cfr n LYS 6 Ca -0.18 0.96 0.03 0.00 -0.87 0.00 0.00 58.31 58.24 1cfr n LYS 6 Cb 0.56 -2.81 0.11 0.00 0.02 0.00 0.00 35.03 32.92 1cfr n LYS 6 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1cfr n SER 7 N 4.63 1.97 0.00 3.14 3.41 0.61 -4.79 113.62 122.59 1cfr n SER 7 Ca 0.17 -2.18 0.00 0.00 -0.26 0.00 0.00 58.87 56.60 1cfr n SER 7 Cb 0.34 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 1cfr n SER 7 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cfr n GLY 8 N 0.42 0.12 2.15 5.00 0.00 -1.25 -4.79 105.19 106.85 1cfr n GLY 8 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 1cfr n GLY 8 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1cfr n GLU 9 N -2.00 2.09 0.00 1.61 4.07 -1.26 -4.92 120.64 120.24 1cfr n GLU 9 Ca 0.00 -1.46 0.00 0.00 -0.06 0.00 0.00 57.16 55.64 1cfr n GLU 9 Cb 0.00 -2.00 0.00 0.00 -0.06 0.00 0.00 31.44 29.38 1cfr n GLU 9 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1cfr n GLY 10 N 1.80 2.01 0.00 8.31 0.00 -1.26 -3.12 105.19 112.92 1cfr n GLY 10 Ca 0.43 -0.57 0.14 0.00 0.00 0.00 0.00 46.02 46.02 1cfr n GLY 10 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1cfr n ASN 11 N 7.64 0.00 -4.73 1.61 5.15 -1.26 -4.88 115.26 118.80 1cfr n ASN 11 Ca 0.00 -0.03 -0.42 0.00 -0.60 0.00 0.00 54.58 53.53 1cfr n ASN 11 Cb 0.00 -0.31 -0.03 0.00 -0.53 0.00 0.00 39.78 38.91 1cfr n ASN 11 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1cfr n LYS 12 N -1.31 2.75 -4.37 1.20 4.76 -1.18 -0.75 118.16 119.25 1cfr n LYS 12 Ca 0.12 0.99 -0.23 0.00 -2.87 0.00 0.00 58.31 56.32 1cfr n LYS 12 Cb 0.23 -2.82 -0.13 0.00 -1.84 0.00 0.00 35.03 30.48 1cfr n LYS 12 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1cfr s TYR 13 N 0.84 1.65 0.04 2.13 1.51 -0.49 -0.28 117.35 122.76 1cfr s TYR 13 Ca 0.72 -0.40 0.05 0.00 -1.01 0.00 0.00 57.07 56.43 1cfr s TYR 13 Cb -0.51 -0.94 -0.04 0.00 -0.11 0.00 0.00 41.96 40.37 1cfr s TYR 13 CO 0.37 0.14 -0.10 0.95 -1.11 0.00 0.00 175.55 175.79 1cfr s THR 14 N -1.04 3.37 0.04 -0.71 -4.23 0.17 -4.60 115.64 108.64 1cfr s THR 14 Ca 0.05 -1.02 -0.22 0.00 -1.18 0.00 0.00 61.69 59.32 1cfr s THR 14 Cb -0.09 -2.49 -0.06 0.00 1.34 0.00 0.00 72.50 71.19 1cfr s THR 14 CO 0.03 0.29 0.66 -0.63 -0.54 0.00 0.00 174.62 174.43 1cfr s ILE 15 N -1.05 4.77 -1.01 2.99 1.01 -1.26 -1.00 121.20 125.65 1cfr s ILE 15 Ca 0.18 1.41 -0.16 0.00 0.00 0.00 0.00 60.65 62.08 1cfr s ILE 15 Cb -0.11 -4.01 0.17 0.00 0.01 0.00 0.00 42.46 38.53 1cfr s ILE 15 CO 0.09 0.43 1.15 0.20 0.00 0.00 0.00 174.94 176.81 1cfr s ASN 16 N -0.39 6.84 0.14 3.58 0.01 0.58 -4.93 114.94 120.77 1cfr s ASN 16 Ca 0.33 -2.57 -0.27 0.00 -0.71 0.00 0.00 52.86 49.65 1cfr s ASN 16 Cb -0.20 -2.35 -0.06 0.00 0.41 0.00 0.00 41.25 39.05 1cfr s ASN 16 CO 0.20 -0.82 1.44 -0.24 -1.51 0.00 0.00 177.10 176.18 1cfr n SER 17 N 5.49 -0.91 -0.02 -1.22 2.88 -1.26 -1.36 113.62 117.22 1cfr n SER 17 Ca 0.26 1.65 -0.10 0.00 -1.33 0.00 0.00 58.87 59.35 1cfr n SER 17 Cb 0.46 -0.26 -0.04 0.00 -0.75 0.00 0.00 64.21 63.62 1cfr n SER 17 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1cfr h ALA 18 N 0.31 0.17 0.24 -1.46 0.00 -1.96 -0.39 119.26 116.16 1cfr h ALA 18 Ca 0.14 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1cfr h ALA 18 Cb 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1cfr h ALA 18 CO -0.81 -0.38 -0.12 0.82 0.00 0.00 0.00 179.25 178.77 1cfr h ILE 19 N 0.14 0.79 -0.92 0.00 2.04 -1.89 -0.92 117.51 116.74 1cfr h ILE 19 Ca 0.06 -0.15 0.12 0.00 1.00 0.00 0.00 64.86 65.90 1cfr h ILE 19 Cb 0.03 0.88 -0.08 0.00 -0.74 0.00 0.00 36.82 36.90 1cfr h ILE 19 CO -0.06 0.03 0.55 0.00 0.00 0.00 0.00 178.15 178.67 1cfr h ALA 20 N 0.35 1.38 -0.13 1.87 0.00 -1.12 0.18 119.26 121.79 1cfr h ALA 20 Ca -0.03 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1cfr h ALA 20 Cb 0.30 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1cfr h ALA 20 CO 0.05 0.12 0.01 0.35 0.00 0.00 0.00 179.25 179.78 1cfr h PHE 21 N 0.86 0.23 -0.10 0.00 3.57 -0.75 -1.33 116.94 119.42 1cfr h PHE 21 Ca 0.47 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.92 1cfr h PHE 21 Cb 0.50 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.17 1cfr h PHE 21 CO -0.04 0.43 0.03 0.28 -2.23 0.00 0.00 178.31 176.78 1cfr h VAL 22 N -0.03 1.18 -0.10 1.41 2.07 -0.52 0.16 116.25 120.44 1cfr h VAL 22 Ca 0.04 -0.57 0.02 0.00 0.82 0.00 0.00 66.70 67.02 1cfr h VAL 22 Cb 0.33 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1cfr h VAL 22 CO 0.00 0.16 -0.05 0.00 0.02 0.00 0.00 177.57 177.71 1cfr h ALA 23 N 0.83 0.03 -0.01 1.67 0.00 -0.69 -0.43 119.26 120.66 1cfr h ALA 23 Ca 0.03 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1cfr h ALA 23 Cb 0.23 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1cfr h ALA 23 CO -0.00 -0.51 -0.01 -0.92 0.00 0.00 0.00 179.25 177.81 1cfr h TYR 24 N -0.05 0.03 -0.63 0.00 3.20 -1.25 -3.25 116.97 115.02 1cfr h TYR 24 Ca 0.06 -0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.06 1cfr h TYR 24 Cb 0.13 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.36 1cfr h TYR 24 CO -0.17 0.44 0.43 0.00 -1.64 0.00 0.00 178.16 177.23 1cfr h ALA 25 N 0.58 2.26 0.00 1.82 0.00 -0.47 -1.07 119.26 122.39 1cfr h ALA 25 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1cfr h ALA 25 Cb 0.44 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1cfr h ALA 25 CO 0.00 -0.43 -0.07 0.77 0.00 0.00 0.00 179.25 179.52 1cfr h SER 26 N 0.24 0.00 0.73 0.00 0.02 -1.11 -2.75 113.55 110.67 1cfr h SER 26 Ca 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1cfr h SER 26 Cb 0.86 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.40 1cfr h SER 26 CO -0.06 0.07 -0.11 1.41 -1.14 0.00 0.00 176.83 177.00 1cfr n HIS 27 N -4.38 0.00 -4.48 3.45 -0.00 -0.40 -4.93 115.22 104.47 1cfr n HIS 27 Ca -0.03 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.46 1cfr n HIS 27 Cb 0.15 -0.36 -0.11 0.00 -0.00 0.00 0.00 29.99 29.67 1cfr n HIS 27 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 176.34 177.30 1cfr s ILE 28 N -2.84 1.53 -0.68 1.59 -4.36 -1.04 -5.09 121.20 110.31 1cfr s ILE 28 Ca 0.19 -2.04 -0.12 0.00 -0.26 0.00 0.00 60.65 58.41 1cfr s ILE 28 Cb 0.19 -2.73 0.18 0.00 1.25 0.00 0.00 42.46 41.35 1cfr s ILE 28 CO 0.54 -0.10 0.60 -0.62 0.24 0.00 0.00 174.94 175.60 1cfr s ASP 29 N -3.52 6.24 0.54 4.36 -1.08 -1.26 -4.92 116.67 117.03 1cfr s ASP 29 Ca 0.34 -2.42 0.31 0.00 -0.52 0.00 0.00 52.55 50.25 1cfr s ASP 29 Cb 0.07 -2.12 1.47 0.00 -1.46 0.00 0.00 42.92 40.88 1cfr s ASP 29 CO 0.15 -0.62 1.91 0.40 0.52 0.00 0.00 175.17 177.53 1cfr h ILE 30 N 5.29 0.58 0.00 4.11 1.08 -1.88 0.19 117.51 126.87 1cfr h ILE 30 Ca -0.04 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.43 1cfr h ILE 30 Cb 1.04 0.58 0.00 0.00 -3.07 0.00 0.00 36.82 35.37 1cfr h ILE 30 CO 0.82 0.00 0.00 0.78 -0.69 0.00 0.00 178.15 179.06 1cfr h ASN 31 N 0.00 0.00 0.00 1.72 4.21 -2.02 -3.19 115.58 116.29 1cfr h ASN 31 Ca 0.40 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.91 1cfr h ASN 31 Cb 1.60 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.80 1cfr h ASN 31 CO -0.00 0.00 -0.67 0.35 -1.29 0.00 0.00 177.43 175.82 1cfr n THR 32 N -2.91 0.00 -3.60 2.81 -2.24 0.00 -4.91 114.28 103.43 1cfr n THR 32 Ca 0.01 -0.27 -0.38 0.00 -2.27 0.00 0.00 64.05 61.14 1cfr n THR 32 Cb 0.31 0.81 -0.11 0.00 -2.10 0.00 0.00 70.33 69.24 1cfr n THR 32 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1cfr s THR 33 N -2.02 5.29 0.49 4.28 2.01 -0.88 -5.07 115.64 119.74 1cfr s THR 33 Ca 0.02 0.16 -0.23 0.00 0.31 0.00 0.00 61.69 61.95 1cfr s THR 33 Cb 0.06 -3.52 -0.06 0.00 0.01 0.00 0.00 72.50 68.99 1cfr s THR 33 CO 0.35 0.25 1.25 -1.83 -0.69 0.00 0.00 174.62 173.96 1cfr s GLU 34 N 1.74 3.53 0.31 4.92 -1.05 -1.26 -4.82 118.70 122.06 1cfr s GLU 34 Ca 0.07 1.98 0.07 0.00 -0.15 0.00 0.00 54.97 56.94 1cfr s GLU 34 Cb -0.16 -2.37 0.82 0.00 -0.44 0.00 0.00 34.13 31.98 1cfr s GLU 34 CO 0.11 -0.79 1.72 0.74 0.95 0.00 0.00 175.26 177.99 1cfr h PHE 35 N 1.87 0.91 -0.22 4.83 0.04 -0.94 -1.17 116.94 122.26 1cfr h PHE 35 Ca -0.50 0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.29 1cfr h PHE 35 Cb 1.27 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 39.16 1cfr h PHE 35 CO 0.50 0.05 0.06 0.66 -0.60 0.00 0.00 178.31 178.98 1cfr h SER 36 N 0.54 0.27 0.22 2.17 4.64 -1.91 -1.67 113.55 117.81 1cfr h SER 36 Ca 0.61 -0.02 -0.18 0.00 -0.47 0.00 0.00 61.79 61.73 1cfr h SER 36 Cb 1.14 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 1cfr h SER 36 CO -0.48 0.28 -0.69 0.11 -0.87 0.00 0.00 176.83 175.18 1cfr h LYS 37 N 0.30 0.43 -0.49 4.77 1.57 -1.57 -2.10 116.57 119.47 1cfr h LYS 37 Ca 0.08 -0.33 -0.11 0.00 -1.87 0.00 0.00 60.65 58.42 1cfr h LYS 37 Cb 0.12 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1cfr h LYS 37 CO -0.00 0.96 -0.10 0.28 -0.57 0.00 0.00 179.45 180.01 1cfr h VAL 38 N 0.30 1.27 0.15 0.50 2.07 -1.25 0.20 116.25 119.48 1cfr h VAL 38 Ca -0.02 -1.24 -0.01 0.00 0.82 0.00 0.00 66.70 66.25 1cfr h VAL 38 Cb 1.26 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1cfr h VAL 38 CO 0.12 0.43 -0.07 -0.07 0.02 0.00 0.00 177.57 178.00 1cfr h LEU 39 N 0.80 -0.17 -0.59 2.57 3.38 -1.21 0.36 115.31 120.46 1cfr h LEU 39 Ca 0.13 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1cfr h LEU 39 Cb 0.66 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1cfr h LEU 39 CO 0.05 0.08 0.08 0.77 0.09 0.00 0.00 178.44 179.51 1cfr h SER 40 N -0.43 0.95 -0.83 -0.43 4.64 -1.41 0.61 113.55 116.64 1cfr h SER 40 Ca -0.02 -0.27 0.07 0.00 -0.47 0.00 0.00 61.79 61.10 1cfr h SER 40 Cb 0.34 -0.25 -0.05 0.00 -0.31 0.00 0.00 62.40 62.12 1cfr h SER 40 CO 0.03 0.98 0.54 1.23 -0.87 0.00 0.00 176.83 178.74 1cfr h GLY 41 N 0.88 1.17 1.77 -0.77 0.00 -0.47 0.03 103.07 105.68 1cfr h GLY 41 Ca 0.18 -0.37 -0.15 0.00 0.00 0.00 0.00 47.33 46.99 1cfr h GLY 41 CO 0.01 0.26 -0.62 -2.00 0.00 0.00 0.00 176.54 174.20 1cfr h LEU 42 N 0.91 0.27 -0.28 3.11 6.46 0.66 -2.34 115.31 124.10 1cfr h LEU 42 Ca 0.36 -0.16 -0.04 0.00 -0.12 0.00 0.00 57.88 57.92 1cfr h LEU 42 Cb 0.24 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.08 1cfr h LEU 42 CO -0.13 0.82 0.01 0.03 -0.62 0.00 0.00 178.44 178.55 1cfr h ARG 43 N 0.17 0.48 0.27 1.25 3.08 0.92 -2.93 114.38 117.62 1cfr h ARG 43 Ca -0.01 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 1cfr h ARG 43 Cb 1.13 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.14 1cfr h ARG 43 CO 0.10 0.63 -0.13 -0.44 -1.07 0.00 0.00 179.97 179.06 1cfr h ASP 44 N 0.28 -0.30 -0.83 7.04 3.32 -1.13 -1.85 116.42 122.95 1cfr h ASP 44 Ca 0.08 -0.01 0.15 0.00 0.02 0.00 0.00 57.03 57.26 1cfr h ASP 44 Cb 0.40 0.08 -0.15 0.00 0.22 0.00 0.00 39.33 39.88 1cfr h ASP 44 CO 0.01 -0.19 -0.30 0.15 -1.72 0.00 0.00 179.24 177.19 1cfr h PHE 45 N -0.39 -0.79 -0.38 4.55 3.57 -1.44 0.53 116.94 122.60 1cfr h PHE 45 Ca -0.04 0.08 -0.06 0.00 3.53 0.00 0.00 57.97 61.49 1cfr h PHE 45 Cb 0.30 0.47 -0.02 0.00 2.79 0.00 0.00 35.95 39.49 1cfr h PHE 45 CO -0.05 -0.38 -0.00 0.82 -2.23 0.00 0.00 178.31 176.47 1cfr h ILE 46 N -0.05 1.21 -0.45 1.41 1.08 -1.36 -2.83 117.51 116.53 1cfr h ILE 46 Ca 0.34 -0.85 -0.07 0.00 -0.39 0.00 0.00 64.86 63.90 1cfr h ILE 46 Cb 0.60 0.93 -0.02 0.00 -3.07 0.00 0.00 36.82 35.26 1cfr h ILE 46 CO -0.86 0.29 0.02 0.78 -0.69 0.00 0.00 178.15 177.70 1cfr h ASN 47 N 0.56 0.76 -0.11 1.72 -0.26 0.84 -2.07 115.58 117.03 1cfr h ASN 47 Ca 0.12 -0.29 0.04 0.00 -0.56 0.00 0.00 56.30 55.61 1cfr h ASN 47 Cb 0.36 -0.20 -0.06 0.00 -1.06 0.00 0.00 38.32 37.36 1cfr h ASN 47 CO 0.01 0.86 -0.25 0.44 -1.06 0.00 0.00 177.43 177.44 1cfr h ASP 48 N 0.63 -0.76 -0.03 5.81 3.32 -0.82 -1.03 116.42 123.53 1cfr h ASP 48 Ca 0.13 0.12 0.04 0.00 0.02 0.00 0.00 57.03 57.33 1cfr h ASP 48 Cb 0.46 0.33 -0.05 0.00 0.22 0.00 0.00 39.33 40.29 1cfr h ASP 48 CO 0.02 -0.30 -0.29 -0.08 -1.72 0.00 0.00 179.24 176.86 1cfr h GLU 49 N -0.33 -0.41 -0.74 3.56 4.57 -1.42 0.13 114.58 119.95 1cfr h GLU 49 Ca 0.09 0.03 0.16 0.00 -1.18 0.00 0.00 59.36 58.46 1cfr h GLU 49 Cb 0.46 0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 29.10 1cfr h GLU 49 CO -0.29 -0.27 0.50 0.00 -1.18 0.00 0.00 179.01 177.76 1cfr h ALA 50 N 0.37 2.20 -0.05 2.92 0.00 -0.98 -0.81 119.26 122.91 1cfr h ALA 50 Ca 0.07 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.79 1cfr h ALA 50 Cb 0.52 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.29 1cfr h ALA 50 CO -0.27 -0.40 -0.71 0.82 0.00 0.00 0.00 179.25 178.68 1cfr h ILE 51 N 0.34 1.35 -0.33 0.00 2.04 0.19 0.60 117.51 121.72 1cfr h ILE 51 Ca 0.36 -2.04 0.02 0.00 1.00 0.00 0.00 64.86 64.20 1cfr h ILE 51 Cb 0.92 2.36 -0.03 0.00 -0.74 0.00 0.00 36.82 39.34 1cfr h ILE 51 CO -0.10 0.62 0.17 0.03 0.00 0.00 0.00 178.15 178.87 1cfr h ARG 52 N 0.16 0.35 -0.00 2.37 3.08 0.29 -1.43 114.38 119.20 1cfr h ARG 52 Ca -0.08 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1cfr h ARG 52 Cb 1.38 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.36 1cfr h ARG 52 CO 0.14 0.23 -0.07 1.28 -1.07 0.00 0.00 179.97 180.48 1cfr n LEU 53 N -4.93 0.07 -2.50 3.04 7.99 -0.50 -4.98 117.00 115.18 1cfr n LEU 53 Ca -0.00 0.42 -0.04 0.00 -0.01 0.00 0.00 56.01 56.38 1cfr n LEU 53 Cb 0.07 -0.46 0.00 0.00 -0.11 0.00 0.00 43.42 42.93 1cfr n LEU 53 CO 0.31 0.02 -0.14 0.61 -1.51 0.00 0.00 177.39 176.69 1cfr n GLY 54 N 1.49 -2.33 2.88 -0.72 0.00 0.01 -5.06 105.19 101.45 1cfr n GLY 54 Ca 0.07 0.69 -0.09 0.00 0.00 0.00 0.00 46.02 46.68 1cfr n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cfr n GLY 55 N 0.02 1.72 2.85 -0.02 0.00 0.19 -4.98 105.19 104.97 1cfr n GLY 55 Ca 0.05 -1.38 -0.18 0.00 0.00 0.00 0.00 46.02 44.51 1cfr n GLY 55 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1cfr s LYS 56 N -2.35 0.46 -0.23 1.61 2.20 0.07 -4.67 119.74 116.82 1cfr s LYS 56 Ca 0.18 0.00 0.02 0.00 -0.36 0.00 0.00 55.97 55.81 1cfr s LYS 56 Cb -0.02 -0.57 0.04 0.00 -1.51 0.00 0.00 37.83 35.77 1cfr s LYS 56 CO 0.13 -0.10 -0.14 0.42 -0.36 0.00 0.00 175.35 175.30 1cfr s ILE 57 N 0.88 2.18 0.53 5.43 1.01 -1.26 -1.40 121.20 128.57 1cfr s ILE 57 Ca -0.10 -1.33 -0.20 0.00 0.00 0.00 0.00 60.65 59.02 1cfr s ILE 57 Cb -0.13 -2.13 -0.06 0.00 0.01 0.00 0.00 42.46 40.15 1cfr s ILE 57 CO -0.01 0.20 1.14 -0.94 0.00 0.00 0.00 174.94 175.33 1cfr s SER 58 N 1.19 5.80 0.00 3.58 1.04 -1.26 -4.92 113.70 119.13 1cfr s SER 58 Ca -0.03 2.20 0.07 0.00 0.48 0.00 0.00 55.95 58.67 1cfr s SER 58 Cb -0.17 -2.58 0.32 0.00 0.10 0.00 0.00 66.02 63.68 1cfr s SER 58 CO -0.08 -1.17 1.21 -0.90 0.98 0.00 0.00 173.24 173.29 1cfr n ASP 59 N -1.15 0.00 -0.05 7.02 5.75 -1.26 -2.14 116.55 124.71 1cfr n ASP 59 Ca 0.11 0.46 -0.16 0.00 -0.01 0.00 0.00 54.79 55.18 1cfr n ASP 59 Cb 0.50 -0.47 -0.06 0.00 -1.03 0.00 0.00 41.12 40.06 1cfr n ASP 59 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1cfr h GLY 60 N 1.24 0.89 1.25 6.12 0.00 -1.98 0.49 103.07 111.09 1cfr h GLY 60 Ca 0.00 -1.15 -0.17 0.00 0.00 0.00 0.00 47.33 46.01 1cfr h GLY 60 CO 0.00 1.02 -0.51 1.76 0.00 0.00 0.00 176.54 178.82 1cfr h SER 61 N 0.57 0.87 -0.14 0.19 0.02 -1.82 0.20 113.55 113.44 1cfr h SER 61 Ca -0.02 -0.45 -0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1cfr h SER 61 Cb 1.26 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 1cfr h SER 61 CO 0.14 1.22 0.08 -0.26 -1.14 0.00 0.00 176.83 176.86 1cfr h PHE 62 N 0.62 0.19 -0.78 3.45 0.04 -1.32 0.62 116.94 119.76 1cfr h PHE 62 Ca 0.02 -0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.75 1cfr h PHE 62 Cb 1.09 -0.06 -0.04 0.00 2.20 0.00 0.00 35.95 39.14 1cfr h PHE 62 CO 0.06 0.20 0.35 -0.91 -0.60 0.00 0.00 178.31 177.40 1cfr h ASN 63 N 0.12 1.04 -0.18 2.17 2.35 0.07 0.52 115.58 121.68 1cfr h ASN 63 Ca 0.05 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 1cfr h ASN 63 Cb 0.07 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 1cfr h ASN 63 CO -0.01 0.90 0.09 0.50 -1.65 0.00 0.00 177.43 177.26 1cfr h LYS 64 N 1.12 0.26 -0.36 0.81 3.11 -0.67 -3.13 116.57 117.71 1cfr h LYS 64 Ca 0.27 -0.03 -0.11 0.00 -2.81 0.00 0.00 60.65 57.96 1cfr h LYS 64 Cb 0.16 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.32 1cfr h LYS 64 CO -0.03 0.27 -0.24 0.00 -2.81 0.00 0.00 179.45 176.64 1cfr h ASN 66 N 0.62 0.70 -0.16 0.00 2.35 0.09 0.60 115.58 119.78 1cfr h ASN 66 Ca 0.08 0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.83 1cfr h ASN 66 Cb 0.74 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 39.00 1cfr h ASN 66 CO 0.06 0.38 -0.05 1.23 -1.65 0.00 0.00 177.43 177.40 1cfr h GLY 67 N 0.76 0.34 0.36 2.83 0.00 -1.54 -0.95 103.07 104.87 1cfr h GLY 67 Ca 0.43 -0.29 0.05 0.00 0.00 0.00 0.00 47.33 47.52 1cfr h GLY 67 CO -0.19 0.26 -0.14 -0.55 0.00 0.00 0.00 176.54 175.92 1cfr h ASP 68 N 0.01 -0.47 -0.29 0.19 5.19 -1.10 -0.20 116.42 119.75 1cfr h ASP 68 Ca 0.04 0.10 -0.02 0.00 -0.62 0.00 0.00 57.03 56.54 1cfr h ASP 68 Cb 0.49 0.24 -0.01 0.00 0.18 0.00 0.00 39.33 40.24 1cfr h ASP 68 CO 0.02 -0.18 0.12 -0.50 -3.12 0.00 0.00 179.24 175.57 1cfr h TRP 69 N -0.14 0.44 -0.75 4.55 6.55 -0.90 0.13 115.95 125.83 1cfr h TRP 69 Ca 0.13 -0.03 0.04 0.00 0.95 0.00 0.00 58.89 59.98 1cfr h TRP 69 Cb 0.32 -0.13 -0.05 0.00 -0.86 0.00 0.00 29.16 28.44 1cfr h TRP 69 CO -0.31 0.42 0.46 -0.92 -1.05 0.00 0.00 178.44 177.05 1cfr h TYR 70 N 0.32 0.86 -0.44 0.49 3.20 -0.74 -0.25 116.97 120.41 1cfr h TYR 70 Ca 0.10 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.92 1cfr h TYR 70 Cb 0.17 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 1cfr h TYR 70 CO -0.01 0.46 -0.01 0.93 -1.64 0.00 0.00 178.16 177.90 1cfr h GLU 71 N 0.88 0.78 -0.48 1.82 5.08 -0.74 -2.25 114.58 119.66 1cfr h GLU 71 Ca 0.31 -0.25 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 1cfr h GLU 71 Cb 0.08 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1cfr h GLU 71 CO -0.14 0.85 -0.01 -1.49 -1.00 0.00 0.00 179.01 177.22 1cfr h TRP 72 N 0.62 0.87 -0.16 4.33 6.55 -0.48 0.54 115.95 128.22 1cfr h TRP 72 Ca 0.12 -0.13 0.01 0.00 0.95 0.00 0.00 58.89 59.85 1cfr h TRP 72 Cb 0.51 -0.23 -0.02 0.00 -0.86 0.00 0.00 29.16 28.56 1cfr h TRP 72 CO 0.04 0.80 0.05 -0.07 -1.05 0.00 0.00 178.44 178.22 1cfr h LEU 73 N 0.75 0.06 -0.04 -4.49 3.38 -0.90 -0.85 115.31 113.23 1cfr h LEU 73 Ca 0.14 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1cfr h LEU 73 Cb 0.48 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1cfr h LEU 73 CO 0.02 0.06 -0.01 0.40 0.09 0.00 0.00 178.44 179.01 1cfr h ILE 74 N 0.13 1.29 -0.90 1.22 2.04 -1.08 -3.09 117.51 117.12 1cfr h ILE 74 Ca 0.07 -0.87 0.09 0.00 1.00 0.00 0.00 64.86 65.14 1cfr h ILE 74 Cb 0.04 1.80 -0.07 0.00 -0.74 0.00 0.00 36.82 37.84 1cfr h ILE 74 CO -0.07 0.24 0.54 1.23 0.00 0.00 0.00 178.15 180.09 1cfr h GLY 75 N -0.27 1.40 0.93 5.37 0.00 0.23 -1.12 103.07 109.61 1cfr h GLY 75 Ca 0.01 -0.37 -0.10 0.00 0.00 0.00 0.00 47.33 46.87 1cfr h GLY 75 CO 0.00 0.18 -0.22 -2.22 0.00 0.00 0.00 176.54 174.29 1cfr h ILE 76 N 0.92 1.30 -0.15 2.60 2.04 -1.22 -2.84 117.51 120.17 1cfr h ILE 76 Ca 0.42 -1.36 -0.06 0.00 1.00 0.00 0.00 64.86 64.86 1cfr h ILE 76 Cb 0.34 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 1cfr h ILE 76 CO -0.23 0.43 -0.19 -0.09 0.00 0.00 0.00 178.15 178.07 1cfr h ARG 77 N 0.38 0.24 -0.63 2.37 9.65 -1.39 -1.29 114.38 123.71 1cfr h ARG 77 Ca 0.05 -0.07 -0.09 0.00 -1.10 0.00 0.00 59.98 58.77 1cfr h ARG 77 Cb 0.77 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.30 1cfr h ARG 77 CO 0.06 0.44 0.04 0.00 2.80 0.00 0.00 179.97 183.30 1cfr h ALA 78 N 1.58 0.84 -0.34 2.80 0.00 -1.13 -0.58 119.26 122.44 1cfr h ALA 78 Ca 0.04 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.51 1cfr h ALA 78 Cb 0.48 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1cfr h ALA 78 CO 0.03 0.66 -0.35 0.82 0.00 0.00 0.00 179.25 180.40 1cfr h ILE 79 N 0.99 1.28 -0.62 0.00 1.08 -1.16 -0.89 117.51 118.20 1cfr h ILE 79 Ca 0.18 -1.52 -0.04 0.00 -0.39 0.00 0.00 64.86 63.10 1cfr h ILE 79 Cb 0.52 1.40 -0.03 0.00 -3.07 0.00 0.00 36.82 35.64 1cfr h ILE 79 CO 0.03 0.50 0.24 -0.33 -0.69 0.00 0.00 178.15 177.89 1cfr h GLU 80 N 0.65 0.93 -0.82 2.37 5.08 -1.03 0.13 114.58 121.90 1cfr h GLU 80 Ca 0.06 -0.18 0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1cfr h GLU 80 Cb 0.90 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.96 1cfr h GLU 80 CO 0.08 0.80 0.53 0.35 -1.00 0.00 0.00 179.01 179.77 1cfr h PHE 81 N 0.87 0.99 -0.03 4.33 3.04 -0.88 0.21 116.94 125.47 1cfr h PHE 81 Ca 0.20 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.18 1cfr h PHE 81 Cb 0.22 -0.33 -0.00 0.00 2.56 0.00 0.00 35.95 38.40 1cfr h PHE 81 CO 0.01 0.58 0.01 0.35 -2.02 0.00 0.00 178.31 177.25 1cfr h PHE 82 N 1.04 0.04 -0.94 0.41 3.57 -0.46 0.37 116.94 120.97 1cfr h PHE 82 Ca 0.32 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.84 1cfr h PHE 82 Cb -0.02 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.65 1cfr h PHE 82 CO -0.02 0.20 0.62 -0.07 -2.23 0.00 0.00 178.31 176.80 1cfr h LEU 83 N -0.13 1.05 -0.03 0.59 3.38 -0.33 -2.15 115.31 117.69 1cfr h LEU 83 Ca 0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1cfr h LEU 83 Cb 0.18 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1cfr h LEU 83 CO -0.00 0.74 0.00 -0.33 0.09 0.00 0.00 178.44 178.94 1cfr h GLU 84 N 1.23 0.00 0.00 1.13 5.08 -0.44 -3.47 114.58 118.10 1cfr h GLU 84 Ca 0.36 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 58.11 1cfr h GLU 84 Cb -0.08 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.11 1cfr h GLU 84 CO -0.10 0.00 -0.32 0.43 -1.00 0.00 0.00 179.01 178.02 1cfr n SER 85 N -2.30 2.93 -2.71 1.42 7.64 0.11 -5.06 113.62 115.64 1cfr n SER 85 Ca 0.05 -3.01 -0.26 0.00 1.01 0.00 0.00 58.87 56.67 1cfr n SER 85 Cb 0.43 0.03 -0.02 0.00 -1.01 0.00 0.00 64.21 63.64 1cfr n SER 85 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1cfr n GLU 86 N -1.73 3.14 -4.03 1.43 -0.58 -1.26 -4.92 120.64 112.69 1cfr n GLU 86 Ca -0.06 -4.55 -0.22 0.00 -0.42 0.00 0.00 57.16 51.91 1cfr n GLU 86 Cb 0.65 -2.17 -0.03 0.00 -0.57 0.00 0.00 31.44 29.31 1cfr n GLU 86 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1cfr s THR 87 N -4.84 4.91 -2.73 2.62 -4.23 -1.26 -5.01 115.64 105.09 1cfr s THR 87 Ca 0.47 -1.14 0.25 0.00 -1.18 0.00 0.00 61.69 60.09 1cfr s THR 87 Cb 0.35 -3.65 0.34 0.00 1.34 0.00 0.00 72.50 70.88 1cfr s THR 87 CO -0.15 -0.31 1.43 0.59 -0.54 0.00 0.00 174.62 175.63 1cfr n ASN 88 N -1.21 2.59 -4.50 3.99 3.02 -1.26 -4.92 115.26 112.96 1cfr n ASN 88 Ca -0.08 -1.85 -0.33 0.00 -0.03 0.00 0.00 54.58 52.29 1cfr n ASN 88 Cb 0.57 -0.05 -0.13 0.00 -0.61 0.00 0.00 39.78 39.56 1cfr n ASN 88 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1cfr s PHE 89 N -1.90 2.75 -0.04 3.10 0.08 -1.26 0.43 117.98 121.14 1cfr s PHE 89 Ca 0.33 -0.12 0.05 0.00 0.12 0.00 0.00 56.93 57.30 1cfr s PHE 89 Cb 0.20 -1.63 -0.01 0.00 -0.57 0.00 0.00 43.02 41.02 1cfr s PHE 89 CO 0.31 0.23 -0.19 -1.50 -0.10 0.00 0.00 175.22 173.97 1cfr s ILE 90 N -0.78 1.58 -0.43 0.64 2.07 -0.23 -4.93 121.20 119.13 1cfr s ILE 90 Ca 0.12 -0.82 -0.23 0.00 -1.41 0.00 0.00 60.65 58.31 1cfr s ILE 90 Cb -0.11 -1.35 0.02 0.00 0.13 0.00 0.00 42.46 41.16 1cfr s ILE 90 CO 0.01 0.45 0.79 -0.69 -1.91 0.00 0.00 174.94 173.60 1cfr s VAL 91 N -0.12 4.66 -0.13 4.00 1.01 -1.26 -1.62 120.40 126.93 1cfr s VAL 91 Ca -0.01 0.55 -0.03 0.00 0.00 0.00 0.00 61.98 62.49 1cfr s VAL 91 Cb -0.11 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 1cfr s VAL 91 CO 0.02 -0.66 -0.02 -0.69 0.00 0.00 0.00 175.10 173.75 1cfr s VAL 92 N 3.28 4.08 0.18 2.92 1.01 -0.42 -4.80 120.40 126.64 1cfr s VAL 92 Ca 0.31 -0.31 -0.29 0.00 0.00 0.00 0.00 61.98 61.69 1cfr s VAL 92 Cb -0.12 -2.76 -0.08 0.00 0.00 0.00 0.00 36.38 33.42 1cfr s VAL 92 CO 0.22 0.53 0.92 -0.75 0.00 0.00 0.00 175.10 176.02 1cfr s LYS 93 N -0.10 4.76 -0.06 2.72 2.20 -1.26 -1.24 119.74 126.76 1cfr s LYS 93 Ca 0.03 1.42 -0.01 0.00 -0.36 0.00 0.00 55.97 57.06 1cfr s LYS 93 Cb -0.13 -3.31 -0.03 0.00 -1.51 0.00 0.00 37.83 32.84 1cfr s LYS 93 CO 0.02 0.41 0.01 -1.64 -0.36 0.00 0.00 175.35 173.79 1cfr s MET 94 N -0.74 2.93 0.82 4.03 -1.94 0.38 -4.43 119.30 120.35 1cfr s MET 94 Ca 0.42 -0.47 -0.12 0.00 -1.71 0.00 0.00 55.69 53.82 1cfr s MET 94 Cb -0.25 -2.76 0.11 0.00 2.01 0.00 0.00 34.83 33.94 1cfr s MET 94 CO 0.30 0.68 1.18 -1.25 -0.01 0.00 0.00 175.02 175.92 1cfr s PRO 95 N -1.13 1.66 0.64 2.03 0.04 -1.26 -4.87 135.00 132.10 1cfr s PRO 95 Ca 0.16 -0.14 -0.16 0.00 0.04 0.00 0.00 61.00 60.89 1cfr s PRO 95 Cb -0.11 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 1cfr s PRO 95 CO 0.05 -1.73 1.12 -0.80 0.04 0.00 0.00 177.00 175.68 1cfr s ASN 96 N -4.65 5.18 0.60 6.66 0.01 -1.26 -4.80 114.94 116.68 1cfr s ASN 96 Ca 0.65 2.07 0.36 0.00 -0.71 0.00 0.00 52.86 55.24 1cfr s ASN 96 Cb -0.09 -2.56 1.90 0.00 0.41 0.00 0.00 41.25 40.91 1cfr s ASN 96 CO 0.49 -1.58 2.21 0.00 -1.51 0.00 0.00 177.10 176.71 1cfr h ALA 97 N 0.29 1.14 -0.86 0.60 0.00 -1.92 -1.03 119.26 117.48 1cfr h ALA 97 Ca -0.48 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 54.55 1cfr h ALA 97 Cb 1.25 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.95 1cfr h ALA 97 CO 0.54 0.04 0.46 1.15 0.00 0.00 0.00 179.25 181.44 1cfr h THR 98 N 0.00 0.74 -0.01 0.00 2.02 -1.96 -3.10 112.91 110.60 1cfr h THR 98 Ca -0.00 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.96 1cfr h THR 98 Cb 0.19 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.63 1cfr h THR 98 CO 0.00 0.12 0.00 -1.54 0.37 0.00 0.00 175.52 174.47 1cfr n SER 99 N -4.85 1.24 -3.62 4.18 3.41 -0.80 -5.05 113.62 108.12 1cfr n SER 99 Ca 0.17 -1.18 -0.16 0.00 -0.26 0.00 0.00 58.87 57.44 1cfr n SER 99 Cb 0.43 -0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.31 1cfr n SER 99 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1cfr s PHE 100 N -0.22 -0.45 -0.22 7.33 5.36 -0.46 -5.01 117.98 124.31 1cfr s PHE 100 Ca 0.02 0.73 0.02 0.00 -0.96 0.00 0.00 56.93 56.74 1cfr s PHE 100 Cb 0.01 0.27 0.04 0.00 -0.34 0.00 0.00 43.02 43.00 1cfr s PHE 100 CO 0.02 -0.52 -0.15 0.34 -1.46 0.00 0.00 175.22 173.44 1cfr s ASP 101 N -1.29 3.78 0.66 6.13 -1.08 -1.26 -3.60 116.67 120.02 1cfr s ASP 101 Ca -0.12 -1.02 0.35 0.00 -0.52 0.00 0.00 52.55 51.24 1cfr s ASP 101 Cb -0.02 -1.51 1.92 0.00 -1.46 0.00 0.00 42.92 41.84 1cfr s ASP 101 CO 0.07 -0.09 2.09 1.62 0.52 0.00 0.00 175.17 179.37 1cfr h VAL 102 N 6.35 0.03 0.00 1.11 3.04 -1.92 -1.46 116.25 123.40 1cfr h VAL 102 Ca -0.33 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.35 1cfr h VAL 102 Cb 1.09 0.79 -0.00 0.00 -2.01 0.00 0.00 31.29 31.16 1cfr h VAL 102 CO 0.55 0.00 -0.08 0.24 -1.01 0.00 0.00 177.57 177.27 1cfr h MET 103 N 0.00 0.00 0.00 4.17 2.86 -1.97 -2.51 114.93 117.48 1cfr h MET 103 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1cfr h MET 103 Cb 0.43 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.09 1cfr h MET 103 CO -0.00 0.08 0.00 -1.13 1.06 0.00 0.00 176.91 176.92 1cfr n SER 104 N -3.30 0.00 0.15 1.22 3.41 -0.55 -2.03 113.62 112.52 1cfr n SER 104 Ca -0.01 -0.28 0.01 0.00 -0.26 0.00 0.00 58.87 58.34 1cfr n SER 104 Cb 0.28 -0.18 0.20 0.00 -0.26 0.00 0.00 64.21 64.26 1cfr n SER 104 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1cfr h ILE 105 N 0.00 1.19 -4.30 -1.33 1.08 -1.65 0.30 117.51 112.81 1cfr h ILE 105 Ca 0.00 -2.01 -0.50 0.00 -0.39 0.00 0.00 64.86 61.96 1cfr h ILE 105 Cb 0.13 2.15 0.08 0.00 -3.07 0.00 0.00 36.82 36.10 1cfr h ILE 105 CO 0.00 0.54 0.38 -0.31 -0.69 0.00 0.00 178.15 178.06 1cfr s TYR 106 N -3.47 3.17 0.76 1.37 2.02 -0.86 -0.00 117.35 120.33 1cfr s TYR 106 Ca -0.00 1.43 -0.15 0.00 -0.37 0.00 0.00 57.07 57.98 1cfr s TYR 106 Cb 0.11 -2.88 0.02 0.00 -0.40 0.00 0.00 41.96 38.81 1cfr s TYR 106 CO 0.74 -1.08 0.91 1.63 -1.57 0.00 0.00 175.55 176.18 1cfr n LYS 107 N -2.72 0.33 0.26 -0.62 4.76 0.10 -3.73 118.16 116.55 1cfr n LYS 107 Ca 0.08 0.17 0.10 0.00 -2.87 0.00 0.00 58.31 55.79 1cfr n LYS 107 Cb 0.53 -2.18 0.69 0.00 -1.84 0.00 0.00 35.03 32.23 1cfr n LYS 107 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 1cfr h SER 108 N -0.53 0.00 0.03 4.39 0.02 -1.91 -1.29 113.55 114.26 1cfr h SER 108 Ca -0.46 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.39 1cfr h SER 108 Cb 1.32 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.85 1cfr h SER 108 CO 0.45 0.09 -0.29 0.00 -1.14 0.00 0.00 176.83 175.94 1cfr h LEU 110 N 0.35 0.22 -1.83 0.00 3.38 -1.60 -3.30 115.31 112.53 1cfr h LEU 110 Ca 0.05 -0.90 -0.02 0.00 0.09 0.00 0.00 57.88 57.09 1cfr h LEU 110 Cb 0.69 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 1cfr h LEU 110 CO 0.05 1.11 -0.11 0.77 0.09 0.00 0.00 178.44 180.34 1cfr h SER 111 N -0.63 0.00 0.17 -0.43 4.64 -1.38 -1.69 113.55 114.23 1cfr h SER 111 Ca -0.05 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.24 1cfr h SER 111 Cb 1.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1cfr h SER 111 CO 0.06 0.11 -0.15 -0.08 -0.87 0.00 0.00 176.83 175.91 1cfr h GLU 112 N 0.00 0.00 -0.65 4.77 4.57 -1.40 -0.86 114.58 121.00 1cfr h GLU 112 Ca -0.00 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 1cfr h GLU 112 Cb 0.22 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.78 1cfr h GLU 112 CO 0.01 0.15 0.22 0.74 -1.18 0.00 0.00 179.01 178.96 1cfr h PHE 113 N 0.00 1.00 -0.34 0.92 0.04 -1.41 0.26 116.94 117.42 1cfr h PHE 113 Ca -0.00 -0.08 -0.16 0.00 2.80 0.00 0.00 57.97 60.53 1cfr h PHE 113 Cb 0.27 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.12 1cfr h PHE 113 CO 0.00 0.79 -0.42 0.82 -0.60 0.00 0.00 178.31 178.90 1cfr h ILE 114 N 0.96 1.28 -0.36 -0.55 1.08 -1.27 -1.12 117.51 117.52 1cfr h ILE 114 Ca 0.22 -1.60 -0.11 0.00 -0.39 0.00 0.00 64.86 62.97 1cfr h ILE 114 Cb 0.24 1.47 -0.01 0.00 -3.07 0.00 0.00 36.82 35.45 1cfr h ILE 114 CO -0.01 0.53 -0.22 1.88 -0.69 0.00 0.00 178.15 179.63 1cfr h TYR 115 N 0.69 0.80 -0.68 1.37 0.05 -0.86 -0.72 116.97 117.62 1cfr h TYR 115 Ca 0.05 -0.18 -0.06 0.00 0.05 0.00 0.00 58.73 58.59 1cfr h TYR 115 Cb 1.01 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 38.53 1cfr h TYR 115 CO 0.06 0.86 0.18 0.22 -1.05 0.00 0.00 178.16 178.43 1cfr h ASP 116 N 0.62 1.02 -0.32 3.88 3.58 -0.36 -1.80 116.42 123.04 1cfr h ASP 116 Ca 0.09 -0.23 -0.04 0.00 0.42 0.00 0.00 57.03 57.27 1cfr h ASP 116 Cb 0.71 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.48 1cfr h ASP 116 CO 0.05 0.98 0.03 0.25 -2.88 0.00 0.00 179.24 177.67 1cfr h LEU 117 N 1.01 0.53 -0.70 2.28 5.85 -0.69 -1.80 115.31 121.79 1cfr h LEU 117 Ca 0.21 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.68 1cfr h LEU 117 Cb 0.35 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 1cfr h LEU 117 CO 0.00 0.68 0.44 -0.09 -0.34 0.00 0.00 178.44 179.12 1cfr h ARG 118 N 0.36 0.83 -0.37 1.25 2.43 -0.94 -1.18 114.38 116.76 1cfr h ARG 118 Ca 0.09 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 1cfr h ARG 118 Cb 0.39 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1cfr h ARG 118 CO 0.01 0.55 0.06 1.03 -1.51 0.00 0.00 179.97 180.11 1cfr h SER 119 N 0.86 0.59 -0.38 -3.80 0.87 -1.22 -1.18 113.55 109.28 1cfr h SER 119 Ca 0.28 -0.26 -0.09 0.00 -1.23 0.00 0.00 61.79 60.49 1cfr h SER 119 Cb 0.01 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.80 1cfr h SER 119 CO -0.10 0.70 -0.06 0.11 -0.53 0.00 0.00 176.83 176.94 1cfr h LYS 120 N 0.46 0.80 -0.28 2.24 1.57 -1.09 -2.51 116.57 117.76 1cfr h LYS 120 Ca 0.11 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.60 1cfr h LYS 120 Cb 0.36 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1cfr h LYS 120 CO 0.01 0.85 -0.00 -0.07 -0.57 0.00 0.00 179.45 179.66 1cfr h LEU 121 N 0.74 0.50 -1.46 2.94 3.38 -1.12 -2.95 115.31 117.33 1cfr h LEU 121 Ca 0.13 -0.31 0.05 0.00 0.09 0.00 0.00 57.88 57.84 1cfr h LEU 121 Cb 0.54 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 1cfr h LEU 121 CO 0.03 0.69 0.42 0.77 0.09 0.00 0.00 178.44 180.43 1cfr h SER 122 N 0.29 0.59 0.80 -0.43 4.64 -0.92 0.35 113.55 118.87 1cfr h SER 122 Ca 0.08 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.39 1cfr h SER 122 Cb 0.44 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1cfr h SER 122 CO 0.02 0.40 -0.05 -0.07 -0.87 0.00 0.00 176.83 176.25 1cfr h LEU 123 N 0.68 0.00 -2.75 5.97 3.38 -1.35 -1.29 115.31 119.95 1cfr h LEU 123 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1cfr h LEU 123 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1cfr h LEU 123 CO -0.08 0.05 0.00 0.59 0.09 0.00 0.00 178.44 179.10 1cfr n ASN 124 N -3.20 4.05 -2.66 -0.43 3.02 0.11 -4.95 115.26 111.19 1cfr n ASN 124 Ca -0.00 -2.07 -0.16 0.00 -0.03 0.00 0.00 54.58 52.31 1cfr n ASN 124 Cb 0.29 -0.50 0.06 0.00 -0.61 0.00 0.00 39.78 39.01 1cfr n ASN 124 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1cfr n ASN 125 N 1.56 -4.86 -4.15 6.41 5.15 -0.49 -5.05 115.26 113.83 1cfr n ASN 125 Ca 0.25 -0.38 -0.23 0.00 -0.60 0.00 0.00 54.58 53.62 1cfr n ASN 125 Cb 0.66 -3.67 -0.14 0.00 -0.53 0.00 0.00 39.78 36.10 1cfr n ASN 125 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1cfr s VAL 126 N -3.22 1.26 0.32 3.44 1.01 -0.44 -4.98 120.40 117.78 1cfr s VAL 126 Ca 0.38 -0.85 0.07 0.00 0.00 0.00 0.00 61.98 61.58 1cfr s VAL 126 Cb -0.17 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.11 1cfr s VAL 126 CO 0.51 0.22 0.37 0.20 0.00 0.00 0.00 175.10 176.40 1cfr s ASN 127 N -0.72 5.73 -0.37 3.32 0.01 -1.26 -2.54 114.94 119.11 1cfr s ASN 127 Ca 0.05 -0.27 0.01 0.00 -0.71 0.00 0.00 52.86 51.93 1cfr s ASN 127 Cb -0.07 -1.22 0.12 0.00 0.41 0.00 0.00 41.25 40.49 1cfr s ASN 127 CO 0.00 -0.33 0.16 -0.22 -1.51 0.00 0.00 177.10 175.20 1cfr s LEU 128 N -4.06 2.42 -0.33 0.60 2.96 -1.26 -5.01 118.68 114.00 1cfr s LEU 128 Ca 0.41 -2.11 -0.12 0.00 -0.22 0.00 0.00 54.13 52.09 1cfr s LEU 128 Cb -0.08 -0.93 -0.02 0.00 0.50 0.00 0.00 46.19 45.66 1cfr s LEU 128 CO 0.29 -0.34 0.21 -0.63 -1.32 0.00 0.00 176.35 174.56 1cfr s ILE 129 N 1.02 5.11 0.31 6.68 -1.09 -1.26 -5.06 121.20 126.91 1cfr s ILE 129 Ca 0.14 -0.23 0.10 0.00 -2.23 0.00 0.00 60.65 58.42 1cfr s ILE 129 Cb -0.21 -3.60 -0.05 0.00 -1.58 0.00 0.00 42.46 37.02 1cfr s ILE 129 CO -0.12 0.03 -0.05 0.42 -1.23 0.00 0.00 174.94 174.00 1cfr s THR 130 N 1.70 2.76 0.20 2.92 -4.23 -1.26 -5.15 115.64 112.58 1cfr s THR 130 Ca 0.06 -2.08 0.06 0.00 -1.18 0.00 0.00 61.69 58.55 1cfr s THR 130 Cb -0.17 -2.68 -0.05 0.00 1.34 0.00 0.00 72.50 70.94 1cfr s THR 130 CO 0.09 -0.29 -0.10 -0.94 -0.54 0.00 0.00 174.62 172.84 1cfr s SER 131 N -3.65 2.28 -0.21 3.99 1.04 -1.26 -4.95 113.70 110.94 1cfr s SER 131 Ca 0.33 -1.07 -0.09 0.00 0.48 0.00 0.00 55.95 55.60 1cfr s SER 131 Cb -0.03 -0.09 -0.04 0.00 0.10 0.00 0.00 66.02 65.96 1cfr s SER 131 CO 0.18 -0.28 0.11 0.20 0.98 0.00 0.00 173.24 174.43 1cfr s ASN 132 N -3.29 5.85 0.87 7.02 0.01 -1.26 -4.90 114.94 119.24 1cfr s ASN 132 Ca 0.23 0.09 -0.11 0.00 -0.71 0.00 0.00 52.86 52.36 1cfr s ASN 132 Cb 0.02 -2.03 0.11 0.00 0.41 0.00 0.00 41.25 39.76 1cfr s ASN 132 CO 0.06 0.11 1.11 -2.84 -1.51 0.00 0.00 177.10 174.03 1cfr s PRO 133 N 0.75 1.47 0.16 -0.60 0.02 -1.26 -4.93 135.00 130.61 1cfr s PRO 133 Ca 0.06 1.24 -0.14 0.00 0.02 0.00 0.00 61.00 62.18 1cfr s PRO 133 Cb -0.13 -1.80 0.05 0.00 0.02 0.00 0.00 34.50 32.64 1cfr s PRO 133 CO 0.02 -2.22 1.76 -0.44 -0.33 0.00 0.00 177.00 175.79 1cfr h ASP 134 N -1.55 0.67 -4.32 2.53 3.32 -1.88 -3.41 116.42 111.77 1cfr h ASP 134 Ca -0.45 -0.11 -0.35 0.00 0.02 0.00 0.00 57.03 56.14 1cfr h ASP 134 Cb 1.26 -0.17 -0.18 0.00 0.22 0.00 0.00 39.33 40.45 1cfr h ASP 134 CO 0.48 0.58 -0.74 -0.36 -1.72 0.00 0.00 179.24 177.48 1cfr s PHE 135 N -5.80 1.15 -0.04 4.55 0.08 -0.00 -0.47 117.98 117.44 1cfr s PHE 135 Ca -0.13 -0.60 0.04 0.00 0.12 0.00 0.00 56.93 56.36 1cfr s PHE 135 Cb 0.12 -0.62 -0.00 0.00 -0.57 0.00 0.00 43.02 41.95 1cfr s PHE 135 CO 0.76 0.04 -0.16 -1.12 -0.10 0.00 0.00 175.22 174.64 1cfr s SER 136 N -2.33 2.06 -0.42 1.36 0.01 -0.38 -1.07 113.70 112.94 1cfr s SER 136 Ca 0.05 -0.34 -0.15 0.00 1.31 0.00 0.00 55.95 56.82 1cfr s SER 136 Cb -0.04 -0.61 0.03 0.00 0.21 0.00 0.00 66.02 65.61 1cfr s SER 136 CO 0.01 0.14 0.31 -0.63 0.41 0.00 0.00 173.24 173.47 1cfr s ILE 137 N 0.11 5.21 -0.11 1.44 1.01 0.06 -1.30 121.20 127.61 1cfr s ILE 137 Ca -0.05 -0.73 -0.03 0.00 0.00 0.00 0.00 60.65 59.83 1cfr s ILE 137 Cb -0.12 -3.93 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 1cfr s ILE 137 CO 0.02 -0.34 0.02 -0.63 0.00 0.00 0.00 174.94 174.00 1cfr s ILE 138 N 1.67 4.43 -0.42 2.92 1.01 -0.64 -0.96 121.20 129.20 1cfr s ILE 138 Ca 0.05 -0.19 -0.29 0.00 0.00 0.00 0.00 60.65 60.22 1cfr s ILE 138 Cb -0.20 -2.90 0.03 0.00 0.01 0.00 0.00 42.46 39.40 1cfr s ILE 138 CO 0.09 0.57 1.11 -0.62 0.00 0.00 0.00 174.94 176.10 1cfr s ASP 139 N -0.56 6.73 -0.69 3.58 -1.08 0.51 -1.06 116.67 124.10 1cfr s ASP 139 Ca 0.10 0.65 -0.01 0.00 -0.52 0.00 0.00 52.55 52.77 1cfr s ASP 139 Cb -0.12 -2.54 0.40 0.00 -1.46 0.00 0.00 42.92 39.20 1cfr s ASP 139 CO 0.02 -1.12 1.87 2.30 0.52 0.00 0.00 175.17 178.76 1cfr n ILE 140 N 6.51 3.40 -1.63 4.11 -6.64 0.17 -4.96 119.36 120.32 1cfr n ILE 140 Ca 0.12 -3.84 -0.53 0.00 -1.77 0.00 0.00 62.75 56.73 1cfr n ILE 140 Cb 0.48 -1.20 -0.07 0.00 -1.44 0.00 0.00 39.64 37.41 1cfr n ILE 140 CO 0.00 0.00 0.00 0.54 -1.77 0.00 0.00 176.55 175.32 1cfr n ARG 141 N -0.69 1.40 0.00 6.28 5.12 -1.26 -2.23 116.66 125.28 1cfr n ARG 141 Ca 0.55 0.49 0.00 0.00 -1.93 0.00 0.00 57.85 56.96 1cfr n ARG 141 Cb 0.50 -2.34 0.00 0.00 -1.16 0.00 0.00 32.46 29.46 1cfr n ARG 141 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1cfr n GLY 142 N 4.90 3.01 1.76 -0.13 0.00 -1.26 -4.89 105.19 108.59 1cfr n GLY 142 Ca 0.30 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 1cfr n GLY 142 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1cfr n ARG 143 N 0.00 2.04 0.11 1.61 1.85 -0.95 -4.52 116.66 116.80 1cfr n ARG 143 Ca 0.00 -1.99 -0.13 0.00 -1.00 0.00 0.00 57.85 54.72 1cfr n ARG 143 Cb 0.00 -1.80 -0.08 0.00 -1.05 0.00 0.00 32.46 29.53 1cfr n ARG 143 CO 0.00 0.00 0.00 -0.09 -0.01 0.00 0.00 177.63 177.53 1cfr h ARG 144 N 0.90 -0.21 -0.45 2.89 2.43 -1.90 -2.19 114.38 115.85 1cfr h ARG 144 Ca 0.37 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.56 1cfr h ARG 144 Cb 2.14 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 31.72 1cfr h ARG 144 CO 0.68 -0.04 0.29 0.93 -1.51 0.00 0.00 179.97 180.32 1cfr h GLU 145 N -0.33 0.57 -0.22 0.20 4.39 -1.95 -0.50 114.58 116.74 1cfr h GLU 145 Ca -0.02 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.68 1cfr h GLU 145 Cb 0.26 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.74 1cfr h GLU 145 CO 0.04 0.38 -0.01 1.49 -1.16 0.00 0.00 179.01 179.74 1cfr h GLU 146 N 0.59 0.05 -0.48 2.33 4.81 -1.86 -1.64 114.58 118.38 1cfr h GLU 146 Ca 0.17 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.29 1cfr h GLU 146 Cb -0.05 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 1cfr h GLU 146 CO -0.05 0.03 -0.13 -0.07 -0.73 0.00 0.00 179.01 178.06 1cfr h LEU 147 N 0.05 0.90 -0.94 1.64 3.38 -1.14 -1.36 115.31 117.84 1cfr h LEU 147 Ca 0.10 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1cfr h LEU 147 Cb 0.14 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 1cfr h LEU 147 CO -0.19 1.03 0.56 0.11 0.09 0.00 0.00 178.44 180.04 1cfr h LYS 148 N 0.80 1.27 -0.19 1.13 1.57 -0.83 0.32 116.57 120.64 1cfr h LYS 148 Ca 0.13 -0.12 -0.17 0.00 -1.87 0.00 0.00 60.65 58.62 1cfr h LYS 148 Cb 0.66 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 1cfr h LYS 148 CO 0.05 0.89 -0.57 0.77 -0.57 0.00 0.00 179.45 180.02 1cfr h SER 149 N 1.29 0.66 -0.42 0.86 0.02 -1.12 -1.82 113.55 113.03 1cfr h SER 149 Ca 0.34 -0.36 -0.14 0.00 -0.84 0.00 0.00 61.79 60.78 1cfr h SER 149 Cb -0.05 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 1cfr h SER 149 CO -0.06 1.09 -0.29 -0.03 -1.14 0.00 0.00 176.83 176.40 1cfr h MET 150 N 0.45 0.95 -0.57 3.45 1.85 -0.64 -3.26 114.93 117.17 1cfr h MET 150 Ca 0.00 -0.44 0.00 0.00 -0.61 0.00 0.00 59.70 58.65 1cfr h MET 150 Cb 1.12 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 33.14 1cfr h MET 150 CO 0.11 1.10 0.00 1.28 -0.40 0.00 0.00 176.91 179.00 1cfr n LEU 151 N -4.09 4.69 -0.29 3.39 4.77 0.11 -4.66 117.00 120.92 1cfr n LEU 151 Ca -0.01 -2.56 0.09 0.00 -0.03 0.00 0.00 56.01 53.51 1cfr n LEU 151 Cb 0.49 -0.57 0.25 0.00 -2.33 0.00 0.00 43.42 41.27 1cfr n LEU 151 CO 0.47 0.76 1.03 0.50 -1.33 0.00 0.00 177.39 178.83 1cfr h LYS 152 N 3.66 0.42 -0.01 3.23 3.64 -1.37 -2.66 116.57 123.48 1cfr h LYS 152 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1cfr h LYS 152 Cb 1.48 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.21 1cfr h LYS 152 CO 0.25 0.28 0.00 -0.25 -2.27 0.00 0.00 179.45 177.46 1cfr n ASP 153 N -5.02 0.14 -4.65 4.20 8.00 -1.26 -4.87 116.55 113.09 1cfr n ASP 153 Ca 0.18 -1.22 -0.43 0.00 0.71 0.00 0.00 54.79 54.03 1cfr n ASP 153 Cb 0.54 -0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.61 1cfr n ASP 153 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1cfr s ILE 154 N -1.99 4.71 -0.00 0.53 1.01 -1.01 -4.87 121.20 119.58 1cfr s ILE 154 Ca 0.39 1.90 -0.29 0.00 0.00 0.00 0.00 60.65 62.65 1cfr s ILE 154 Cb 0.18 -4.27 0.10 0.00 0.01 0.00 0.00 42.46 38.48 1cfr s ILE 154 CO 0.30 -0.17 0.99 -0.94 0.00 0.00 0.00 174.94 175.13 1cfr s SER 155 N 1.26 -0.26 0.15 3.58 1.04 -1.26 -4.69 113.70 113.51 1cfr s SER 155 Ca 0.42 -0.10 -0.10 0.00 0.48 0.00 0.00 55.95 56.65 1cfr s SER 155 Cb -0.15 0.35 -0.03 0.00 0.10 0.00 0.00 66.02 66.29 1cfr s SER 155 CO 0.07 -0.59 1.46 -0.26 0.98 0.00 0.00 173.24 174.89 1cfr h PHE 156 N 2.00 1.06 -0.76 5.02 0.04 -1.94 -3.04 116.94 119.31 1cfr h PHE 156 Ca -0.21 -0.35 0.10 0.00 2.80 0.00 0.00 57.97 60.31 1cfr h PHE 156 Cb 1.22 -0.21 -0.07 0.00 2.20 0.00 0.00 35.95 39.09 1cfr h PHE 156 CO 0.29 1.16 0.40 0.77 -0.60 0.00 0.00 178.31 180.33 1cfr h SER 157 N 0.68 0.53 -1.12 2.17 0.02 -1.97 -2.04 113.55 111.82 1cfr h SER 157 Ca 0.04 0.06 -0.64 0.00 -0.84 0.00 0.00 61.79 60.41 1cfr h SER 157 Cb 1.06 -0.03 -0.35 0.00 0.14 0.00 0.00 62.40 63.22 1cfr h SER 157 CO 0.11 0.29 0.15 0.59 -1.14 0.00 0.00 176.83 176.83 1cfr n ASN 158 N -4.83 6.41 -4.72 3.07 3.02 -1.23 -5.04 115.26 111.93 1cfr n ASN 158 Ca 0.12 -3.78 -0.42 0.00 -0.03 0.00 0.00 54.58 50.47 1cfr n ASN 158 Cb 0.29 -0.72 -0.02 0.00 -0.61 0.00 0.00 39.78 38.72 1cfr n ASN 158 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1cfr n ILE 159 N -0.74 0.72 -3.95 2.41 0.13 -0.77 -4.71 119.36 112.44 1cfr n ILE 159 Ca 0.53 -0.18 -0.09 0.00 -1.10 0.00 0.00 62.75 61.90 1cfr n ILE 159 Cb 0.70 -1.87 -0.06 0.00 -0.84 0.00 0.00 39.64 37.57 1cfr n ILE 159 CO 0.00 0.00 0.00 -0.94 2.80 0.00 0.00 176.55 178.41 1cfr s SER 160 N 0.64 -0.08 0.34 9.51 1.04 -1.26 -4.98 113.70 118.91 1cfr s SER 160 Ca 0.68 -0.85 0.05 0.00 0.48 0.00 0.00 55.95 56.30 1cfr s SER 160 Cb -0.53 0.55 0.61 0.00 0.10 0.00 0.00 66.02 66.74 1cfr s SER 160 CO 0.44 -1.07 1.86 0.25 0.98 0.00 0.00 173.24 175.71 1cfr h LEU 161 N 2.32 0.46 -1.57 2.42 5.85 -1.94 -2.12 115.31 120.72 1cfr h LEU 161 Ca -0.28 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.30 1cfr h LEU 161 Cb 1.25 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 1cfr h LEU 161 CO 0.39 0.56 -0.23 0.28 -0.34 0.00 0.00 178.44 179.10 1cfr h SER 162 N 0.46 0.00 -0.32 1.25 0.02 -1.99 -2.38 113.55 110.59 1cfr h SER 162 Ca 0.10 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.01 1cfr h SER 162 Cb 0.37 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 1cfr h SER 162 CO 0.02 0.23 0.07 0.74 -1.14 0.00 0.00 176.83 176.75 1cfr h THR 163 N 0.00 1.22 -0.49 -2.27 2.02 -1.76 -1.54 112.91 110.10 1cfr h THR 163 Ca -0.00 -0.75 -0.02 0.00 0.77 0.00 0.00 66.41 66.40 1cfr h THR 163 Cb 0.45 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.94 1cfr h THR 163 CO 0.03 0.25 0.23 0.40 0.37 0.00 0.00 175.52 176.80 1cfr h ILE 164 N 0.36 1.19 -0.72 3.11 1.08 -1.41 -1.85 117.51 119.27 1cfr h ILE 164 Ca 0.10 -0.56 -0.00 0.00 -0.39 0.00 0.00 64.86 64.00 1cfr h ILE 164 Cb 0.31 0.67 -0.04 0.00 -3.07 0.00 0.00 36.82 34.69 1cfr h ILE 164 CO 0.00 0.22 0.44 0.28 -0.69 0.00 0.00 178.15 178.40 1cfr h SER 165 N 0.64 0.86 0.01 1.72 0.02 -1.25 -1.10 113.55 114.45 1cfr h SER 165 Ca 0.17 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1cfr h SER 165 Cb 0.14 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1cfr h SER 165 CO -0.02 0.66 -0.01 -0.08 -1.14 0.00 0.00 176.83 176.25 1cfr h GLU 166 N 0.99 -0.01 -0.96 3.45 4.57 -0.86 -1.54 114.58 120.22 1cfr h GLU 166 Ca 0.26 0.00 0.14 0.00 -1.18 0.00 0.00 59.36 58.58 1cfr h GLU 166 Cb -0.04 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 28.47 1cfr h GLU 166 CO -0.05 0.36 0.61 0.82 -1.18 0.00 0.00 179.01 179.56 1cfr h ILE 167 N -0.39 0.85 0.00 2.32 1.08 -1.06 0.23 117.51 120.55 1cfr h ILE 167 Ca -0.00 -0.29 0.00 0.00 -0.39 0.00 0.00 64.86 64.18 1cfr h ILE 167 Cb 0.38 -0.06 0.00 0.00 -3.07 0.00 0.00 36.82 34.07 1cfr h ILE 167 CO 0.00 0.15 0.00 0.44 -0.69 0.00 0.00 178.15 178.06 1cfr h ASP 168 N 0.84 0.00 0.00 1.72 5.19 -1.08 -3.35 116.42 119.73 1cfr h ASP 168 Ca 0.49 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.90 1cfr h ASP 168 Cb 0.65 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.16 1cfr h ASP 168 CO -0.26 0.00 0.00 0.59 -3.12 0.00 0.00 179.24 176.45 1cfr n ASN 169 N -2.37 1.01 -0.06 6.45 4.13 -0.15 -4.69 115.26 119.58 1cfr n ASN 169 Ca 0.05 -1.13 0.18 0.00 1.68 0.00 0.00 54.58 55.37 1cfr n ASN 169 Cb 0.43 0.00 0.62 0.00 -1.54 0.00 0.00 39.78 39.29 1cfr n ASN 169 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1cfr h LEU 170 N 0.00 0.15 -2.39 3.41 5.85 -0.76 -1.68 115.31 119.89 1cfr h LEU 170 Ca 0.00 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.75 1cfr h LEU 170 Cb 0.13 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 1cfr h LEU 170 CO 0.00 0.08 0.16 0.10 -0.34 0.00 0.00 178.44 178.44 1cfr h TYR 171 N 0.16 0.00 0.00 1.25 -0.00 -1.84 -1.68 116.97 114.86 1cfr h TYR 171 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.03 1cfr h TYR 171 Cb 0.95 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.68 1cfr h TYR 171 CO -0.00 0.00 0.00 0.87 -0.00 0.00 0.00 178.16 179.03 1cfr h LYS 172 N 0.00 0.00 0.00 0.10 1.57 -1.67 -1.57 116.57 115.00 1cfr h LYS 172 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1cfr h LYS 172 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1cfr h LYS 172 CO -0.00 0.00 -0.01 0.09 -0.57 0.00 0.00 179.45 178.96 1cfr n ASN 173 N -2.82 0.22 -0.66 0.86 3.02 -0.63 -4.07 115.26 111.17 1cfr n ASN 173 Ca -0.01 0.51 0.04 0.00 -0.03 0.00 0.00 54.58 55.09 1cfr n ASN 173 Cb 0.16 -0.56 0.20 0.00 -0.61 0.00 0.00 39.78 38.97 1cfr n ASN 173 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1cfr n PHE 174 N -1.70 0.25 -3.10 3.10 3.72 -0.59 -5.00 117.46 114.14 1cfr n PHE 174 Ca 0.07 -1.44 -0.39 0.00 -0.05 0.00 0.00 57.45 55.63 1cfr n PHE 174 Cb 0.36 -0.29 -0.06 0.00 -0.94 0.00 0.00 39.48 38.55 1cfr n PHE 174 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1cfr s ILE 175 N -3.19 4.60 -1.35 4.37 1.01 -1.25 -3.74 121.20 121.65 1cfr s ILE 175 Ca 0.39 1.48 -0.00 0.00 0.00 0.00 0.00 60.65 62.52 1cfr s ILE 175 Cb 0.37 -4.03 0.00 0.00 0.01 0.00 0.00 42.46 38.80 1cfr s ILE 175 CO -0.04 0.50 0.60 -0.67 0.00 0.00 0.00 174.94 175.34 1cfr n ASP 176 N 1.92 -0.92 -0.01 3.58 2.03 0.10 -4.90 116.55 118.37 1cfr n ASP 176 Ca -0.07 -0.89 -0.02 0.00 0.52 0.00 0.00 54.79 54.34 1cfr n ASP 176 Cb 0.50 -3.70 -0.01 0.00 -0.72 0.00 0.00 41.12 37.19 1cfr n ASP 176 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1cfr n TYR 177 N -4.32 0.00 -2.83 -0.67 9.36 -0.60 -4.61 117.16 113.49 1cfr n TYR 177 Ca -0.30 0.00 -0.40 0.00 3.32 0.00 0.00 57.90 60.52 1cfr n TYR 177 Cb 0.68 -0.06 -0.05 0.00 -0.63 0.00 0.00 39.34 39.27 1cfr n TYR 177 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1cfr s ALA 178 N -2.03 3.34 0.58 2.98 0.00 0.99 -4.63 121.76 122.99 1cfr s ALA 178 Ca -0.02 0.50 -0.04 0.00 0.00 0.00 0.00 51.96 52.40 1cfr s ALA 178 Cb 0.01 -3.14 0.02 0.00 0.00 0.00 0.00 23.12 20.00 1cfr s ALA 178 CO 0.03 0.14 0.87 -1.21 0.00 0.00 0.00 175.76 175.59 1cfr s GLU 179 N -0.67 2.77 0.57 0.00 0.41 -1.26 0.00 118.70 120.53 1cfr s GLU 179 Ca 0.41 -0.22 0.30 0.00 -0.41 0.00 0.00 54.97 55.05 1cfr s GLU 179 Cb -0.24 -2.33 1.46 0.00 -1.78 0.00 0.00 34.13 31.24 1cfr s GLU 179 CO 0.29 -0.72 1.87 1.25 -0.49 0.00 0.00 175.26 177.45 1cfr h LEU 180 N -0.13 0.00 0.00 1.80 5.85 -1.98 0.20 115.31 121.06 1cfr h LEU 180 Ca -0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1cfr h LEU 180 Cb 1.27 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.30 1cfr h LEU 180 CO 0.59 0.00 -0.65 -0.62 -0.34 0.00 0.00 178.44 177.42 1cfr n GLU 181 N -3.92 0.12 0.13 1.25 4.71 -1.26 -4.23 120.64 117.44 1cfr n GLU 181 Ca 0.13 0.02 -0.00 0.00 -0.01 0.00 0.00 57.16 57.30 1cfr n GLU 181 Cb 0.83 -1.56 0.13 0.00 -1.01 0.00 0.00 31.44 29.82 1cfr n GLU 181 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1cfr h HIS 182 N 0.00 0.00 -3.58 -0.32 3.86 -0.96 -3.39 115.15 110.77 1cfr h HIS 182 Ca 0.00 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.55 1cfr h HIS 182 Cb 0.60 0.00 -0.16 0.00 1.06 0.00 0.00 27.41 28.91 1cfr h HIS 182 CO 0.00 0.63 -0.00 0.42 0.86 0.00 0.00 177.93 179.84 1cfr s ILE 183 N -3.31 4.94 0.05 2.45 1.01 -1.25 -0.36 121.20 124.72 1cfr s ILE 183 Ca 0.00 0.01 -0.13 0.00 0.00 0.00 0.00 60.65 60.54 1cfr s ILE 183 Cb 0.11 -4.12 -0.33 0.00 0.01 0.00 0.00 42.46 38.14 1cfr s ILE 183 CO 0.75 -0.48 1.06 0.50 0.00 0.00 0.00 174.94 176.77 1cfr h LYS 184 N 8.76 0.49 -2.49 2.79 3.64 -1.25 -3.47 116.57 125.04 1cfr h LYS 184 Ca -0.26 -0.79 0.15 0.00 -1.27 0.00 0.00 60.65 58.48 1cfr h LYS 184 Cb 1.10 0.29 -0.05 0.00 -0.41 0.00 0.00 32.23 33.16 1cfr h LYS 184 CO 0.84 1.37 0.52 -1.54 -2.27 0.00 0.00 179.45 178.37 1cfr s SER 185 N -7.45 -0.07 0.13 4.20 1.04 -1.22 -3.19 113.70 107.13 1cfr s SER 185 Ca -0.08 -0.60 0.08 0.00 0.48 0.00 0.00 55.95 55.83 1cfr s SER 185 Cb 0.05 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 66.66 1cfr s SER 185 CO 0.93 -1.02 -0.18 -0.36 0.98 0.00 0.00 173.24 173.60 1cfr s PHE 186 N -2.66 1.69 -0.06 5.02 0.08 -0.88 -0.76 117.98 120.40 1cfr s PHE 186 Ca 0.17 -0.47 -0.03 0.00 0.12 0.00 0.00 56.93 56.72 1cfr s PHE 186 Cb -0.02 -0.88 0.04 0.00 -0.57 0.00 0.00 43.02 41.59 1cfr s PHE 186 CO 0.05 0.24 0.10 -1.17 -0.10 0.00 0.00 175.22 174.33 1cfr s LEU 187 N -2.37 0.08 -0.09 -0.37 2.96 -0.23 -1.17 118.68 117.48 1cfr s LEU 187 Ca 0.11 0.12 0.02 0.00 -0.22 0.00 0.00 54.13 54.16 1cfr s LEU 187 Cb -0.07 -0.00 -0.02 0.00 0.50 0.00 0.00 46.19 46.60 1cfr s LEU 187 CO 0.05 -0.25 -0.14 -0.44 -1.32 0.00 0.00 176.35 174.24 1cfr s SER 188 N 2.21 3.97 0.16 3.68 0.01 -0.58 -0.82 113.70 122.33 1cfr s SER 188 Ca 0.04 -0.28 0.10 0.00 1.31 0.00 0.00 55.95 57.12 1cfr s SER 188 Cb -0.12 -1.26 -0.04 0.00 0.21 0.00 0.00 66.02 64.81 1cfr s SER 188 CO -0.04 0.24 -0.20 0.68 0.41 0.00 0.00 173.24 174.33 1cfr s VAL 189 N -0.12 2.62 -0.02 3.43 -7.23 -1.26 -2.36 120.40 115.45 1cfr s VAL 189 Ca -0.01 -1.79 -0.03 0.00 -1.81 0.00 0.00 61.98 58.34 1cfr s VAL 189 Cb -0.14 -2.24 0.00 0.00 0.56 0.00 0.00 36.38 34.57 1cfr s VAL 189 CO 0.04 -0.03 0.08 -0.54 -0.31 0.00 0.00 175.10 174.33 1cfr s LYS 190 N -2.48 0.20 0.13 4.82 -0.14 -0.48 -4.97 119.74 116.82 1cfr s LYS 190 Ca 0.20 -0.09 -0.20 0.00 -1.36 0.00 0.00 55.97 54.53 1cfr s LYS 190 Cb -0.09 0.09 -0.04 0.00 -1.68 0.00 0.00 37.83 36.10 1cfr s LYS 190 CO 0.10 -0.04 1.74 1.79 -0.76 0.00 0.00 175.35 178.19 1cfr h THR 191 N 4.82 0.93 -3.67 2.17 1.35 -1.91 -3.32 112.91 113.28 1cfr h THR 191 Ca -0.27 -0.05 -0.12 0.00 -0.55 0.00 0.00 66.41 65.43 1cfr h THR 191 Cb 1.20 0.78 -0.17 0.00 -1.73 0.00 0.00 68.15 68.23 1cfr h THR 191 CO 0.44 0.03 -0.45 0.42 -0.25 0.00 0.00 175.52 175.71 1cfr s THR 192 N -6.18 0.12 -0.04 6.82 -4.23 -1.26 -1.46 115.64 109.41 1cfr s THR 192 Ca -0.13 -0.99 -0.14 0.00 -1.18 0.00 0.00 61.69 59.24 1cfr s THR 192 Cb 0.09 -0.93 -0.05 0.00 1.34 0.00 0.00 72.50 72.95 1cfr s THR 192 CO 0.69 -0.55 0.38 -0.36 -0.54 0.00 0.00 174.62 174.24 1cfr s PHE 193 N -2.65 3.67 0.25 3.99 0.08 -1.26 -4.98 117.98 117.08 1cfr s PHE 193 Ca -0.04 0.90 0.02 0.00 0.12 0.00 0.00 56.93 57.92 1cfr s PHE 193 Cb -0.01 -2.29 -0.05 0.00 -0.57 0.00 0.00 43.02 40.10 1cfr s PHE 193 CO -0.05 0.56 0.07 1.03 -0.10 0.00 0.00 175.22 176.73 1cfr s ARG 194 N -0.72 1.39 0.19 0.44 0.52 -1.26 -4.98 118.95 114.54 1cfr s ARG 194 Ca 0.22 -1.74 -0.13 0.00 -0.52 0.00 0.00 55.73 53.56 1cfr s ARG 194 Cb -0.16 -0.35 0.21 0.00 0.52 0.00 0.00 34.95 35.17 1cfr s ARG 194 CO 0.11 -0.25 1.67 -1.35 0.02 0.00 0.00 175.30 175.50 1cfr h PRO 195 N 2.40 0.08 -0.66 3.54 0.11 -2.00 -0.83 132.00 134.64 1cfr h PRO 195 Ca -0.38 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.74 1cfr h PRO 195 Cb 1.24 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 1cfr h PRO 195 CO 0.62 0.05 0.44 0.38 -0.21 0.00 0.00 178.00 179.28 1cfr h ASP 196 N 0.08 0.72 0.34 -2.05 2.03 -2.00 -2.22 116.42 113.33 1cfr h ASP 196 Ca 0.27 -0.01 -0.21 0.00 -0.73 0.00 0.00 57.03 56.34 1cfr h ASP 196 Cb 0.42 -0.18 -0.00 0.00 -0.83 0.00 0.00 39.33 38.74 1cfr h ASP 196 CO -0.48 0.51 -0.88 0.03 -1.03 0.00 0.00 179.24 177.40 1cfr h ARG 197 N 0.85 0.38 -0.55 4.15 3.08 -1.59 -2.16 114.38 118.54 1cfr h ARG 197 Ca 0.25 -0.38 -0.07 0.00 0.07 0.00 0.00 59.98 59.84 1cfr h ARG 197 Cb -0.03 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1cfr h ARG 197 CO -0.06 1.05 0.04 0.00 -1.07 0.00 0.00 179.97 179.93 1cfr h ARG 198 N 0.23 0.91 -0.10 0.04 3.08 -0.84 -2.64 114.38 115.06 1cfr h ARG 198 Ca -0.06 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 59.74 1cfr h ARG 198 Cb 1.49 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 31.43 1cfr h ARG 198 CO 0.15 0.88 0.05 1.25 -1.07 0.00 0.00 179.97 181.23 1cfr h LEU 199 N 0.85 0.13 -0.18 3.04 5.85 -1.26 -2.00 115.31 121.74 1cfr h LEU 199 Ca 0.17 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.83 1cfr h LEU 199 Cb 0.44 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.38 1cfr h LEU 199 CO 0.02 0.20 -0.18 1.56 -0.34 0.00 0.00 178.44 179.69 1cfr h GLN 200 N 0.05 -0.20 -0.73 1.25 4.20 -1.29 -0.93 115.11 117.46 1cfr h GLN 200 Ca 0.03 0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 1cfr h GLN 200 Cb 0.10 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 1cfr h GLN 200 CO -0.00 -0.13 0.30 -0.07 -0.67 0.00 0.00 178.83 178.26 1cfr h LEU 201 N -0.21 1.00 -0.19 1.46 3.38 -1.41 -1.14 115.31 118.20 1cfr h LEU 201 Ca 0.11 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1cfr h LEU 201 Cb 0.38 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1cfr h LEU 201 CO -0.30 0.89 0.08 0.00 0.09 0.00 0.00 178.44 179.20 1cfr h ALA 202 N 1.15 0.25 -0.34 1.53 0.00 -1.15 0.02 119.26 120.70 1cfr h ALA 202 Ca 0.25 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1cfr h ALA 202 Cb 0.19 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1cfr h ALA 202 CO -0.02 -0.18 0.17 1.25 0.00 0.00 0.00 179.25 180.47 1cfr h HIS 203 N 0.16 0.49 -0.45 0.00 -0.00 -1.05 -1.90 115.15 112.41 1cfr h HIS 203 Ca 0.06 -0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.36 1cfr h HIS 203 Cb 0.15 -0.15 -0.02 0.00 -0.00 0.00 0.00 27.41 27.39 1cfr h HIS 203 CO -0.02 0.41 0.08 1.49 -0.00 0.00 0.00 177.93 179.90 1cfr h GLU 204 N 0.42 0.74 -0.33 5.26 4.81 -1.14 -1.26 114.58 123.08 1cfr h GLU 204 Ca 0.12 -0.19 0.04 0.00 -0.13 0.00 0.00 59.36 59.20 1cfr h GLU 204 Cb 0.10 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.35 1cfr h GLU 204 CO -0.02 0.75 0.11 0.78 -0.73 0.00 0.00 179.01 179.91 1cfr h GLY 205 N 0.60 0.42 0.91 1.92 0.00 -0.89 -0.94 103.07 105.08 1cfr h GLY 205 Ca 0.14 -0.07 0.02 0.00 0.00 0.00 0.00 47.33 47.42 1cfr h GLY 205 CO 0.01 0.03 0.27 1.76 0.00 0.00 0.00 176.54 178.61 1cfr h SER 206 N 0.26 0.45 -0.70 0.19 0.02 -1.09 -2.24 113.55 110.43 1cfr h SER 206 Ca 0.15 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 1cfr h SER 206 Cb 0.12 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 1cfr h SER 206 CO -0.16 0.32 0.37 0.25 -1.14 0.00 0.00 176.83 176.48 1cfr h LEU 207 N 0.55 0.89 -0.62 5.07 5.85 -0.99 -0.82 115.31 125.25 1cfr h LEU 207 Ca 0.18 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 1cfr h LEU 207 Cb 0.00 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 1cfr h LEU 207 CO -0.08 0.74 0.18 0.24 -0.34 0.00 0.00 178.44 179.18 1cfr h MET 208 N 0.97 0.98 -0.02 1.25 2.86 -0.87 -1.22 114.93 118.88 1cfr h MET 208 Ca 0.25 -0.22 -0.10 0.00 -2.06 0.00 0.00 59.70 57.56 1cfr h MET 208 Cb 0.06 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 1cfr h MET 208 CO -0.04 0.88 -0.46 0.87 1.06 0.00 0.00 176.91 179.22 1cfr h LYS 209 N 0.90 0.04 -0.23 1.72 1.57 -1.22 -0.90 116.57 118.45 1cfr h LYS 209 Ca 0.20 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.86 1cfr h LYS 209 Cb 0.32 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 1cfr h LYS 209 CO -0.00 0.50 -0.22 0.00 -0.57 0.00 0.00 179.45 179.16 1cfr h ALA 210 N 1.50 0.34 -0.48 3.86 0.00 -0.80 -1.71 119.26 121.98 1cfr h ALA 210 Ca -0.00 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 1cfr h ALA 210 Cb 0.83 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1cfr h ALA 210 CO 0.06 0.29 -0.13 -0.07 0.00 0.00 0.00 179.25 179.41 1cfr h LEU 211 N 0.26 0.94 -0.96 0.00 3.38 -1.15 0.06 115.31 117.84 1cfr h LEU 211 Ca 0.04 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.65 1cfr h LEU 211 Cb 0.77 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 1cfr h LEU 211 CO 0.05 1.09 0.63 0.22 0.09 0.00 0.00 178.44 180.52 1cfr h TYR 212 N 0.78 1.22 -0.13 1.13 3.20 -1.14 -0.65 116.97 121.38 1cfr h TYR 212 Ca 0.12 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.91 1cfr h TYR 212 Cb 0.68 -0.41 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 1cfr h TYR 212 CO 0.05 0.78 -0.40 1.15 -1.64 0.00 0.00 178.16 178.10 1cfr h THR 213 N 1.31 1.30 -0.56 1.81 2.02 -0.97 -1.19 112.91 116.65 1cfr h THR 213 Ca 0.35 -1.50 -0.07 0.00 0.77 0.00 0.00 66.41 65.97 1cfr h THR 213 Cb -0.14 1.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 1cfr h THR 213 CO -0.07 0.45 0.08 -0.74 0.37 0.00 0.00 175.52 175.61 1cfr h HIS 214 N 0.24 0.98 -0.35 3.16 -0.00 0.06 -2.36 115.15 116.89 1cfr h HIS 214 Ca 0.02 -0.14 -0.14 0.00 -0.00 0.00 0.00 60.37 60.12 1cfr h HIS 214 Cb 0.81 -0.27 -0.01 0.00 -0.00 0.00 0.00 27.41 27.94 1cfr h HIS 214 CO 0.02 0.87 -0.33 -0.07 -0.00 0.00 0.00 177.93 178.41 1cfr h LEU 215 N 0.81 0.81 -1.75 0.26 3.38 -0.85 -2.15 115.31 115.81 1cfr h LEU 215 Ca 0.17 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 1cfr h LEU 215 Cb 0.42 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1cfr h LEU 215 CO 0.01 1.07 -0.15 -0.61 0.09 0.00 0.00 178.44 178.86 1cfr h GLN 216 N 0.65 0.00 0.07 1.13 4.15 -1.13 -2.29 115.11 117.69 1cfr h GLN 216 Ca 0.07 0.00 -0.19 0.00 0.77 0.00 0.00 58.65 59.29 1cfr h GLN 216 Cb 0.87 0.00 0.02 0.00 0.21 0.00 0.00 27.48 28.58 1cfr h GLN 216 CO 0.08 0.15 -0.80 1.15 -1.93 0.00 0.00 178.83 177.47 1cfr h THR 217 N 0.00 1.43 -0.72 2.39 2.02 -1.02 -0.82 112.91 116.18 1cfr h THR 217 Ca -0.00 -2.30 -0.03 0.00 0.77 0.00 0.00 66.41 64.85 1cfr h THR 217 Cb 0.27 2.81 -0.03 0.00 -1.74 0.00 0.00 68.15 69.46 1cfr h THR 217 CO 0.02 0.67 0.34 0.03 0.37 0.00 0.00 175.52 176.95 1cfr h ARG 218 N -0.11 1.03 -0.00 6.66 2.47 -1.28 -2.77 114.38 120.39 1cfr h ARG 218 Ca -0.12 -0.15 0.00 0.00 -1.26 0.00 0.00 59.98 58.45 1cfr h ARG 218 Cb 1.54 -0.19 0.00 0.00 -1.65 0.00 0.00 29.97 29.68 1cfr h ARG 218 CO 0.15 0.81 -0.31 0.25 0.56 0.00 0.00 179.97 181.44 1cfr n THR 219 N -4.42 0.00 -3.63 2.04 -2.24 -0.87 -4.97 114.28 100.18 1cfr n THR 219 Ca 0.06 -0.06 -0.25 0.00 -2.27 0.00 0.00 64.05 61.53 1cfr n THR 219 Cb 0.13 0.18 0.04 0.00 -2.10 0.00 0.00 70.33 68.58 1cfr n THR 219 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 1cfr n TRP 220 N -1.11 -1.98 -3.10 4.78 -0.00 -0.57 -4.92 117.44 110.53 1cfr n TRP 220 Ca 0.09 0.65 -0.43 0.00 -0.00 0.00 0.00 57.50 57.81 1cfr n TRP 220 Cb 0.33 -3.84 -0.06 0.00 -0.00 0.00 0.00 31.31 27.73 1cfr n TRP 220 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 1cfr s THR 221 N -3.55 4.81 0.12 5.87 2.01 -0.42 -5.04 115.64 119.45 1cfr s THR 221 Ca 0.31 -0.07 -0.29 0.00 0.31 0.00 0.00 61.69 61.94 1cfr s THR 221 Cb -0.09 -4.26 -0.06 0.00 0.01 0.00 0.00 72.50 68.09 1cfr s THR 221 CO 0.83 -0.71 0.92 -0.63 -0.69 0.00 0.00 174.62 174.34 1cfr s ILE 222 N 2.85 4.46 -1.10 1.82 1.01 -1.26 -4.10 121.20 124.88 1cfr s ILE 222 Ca 0.21 1.99 -0.21 0.00 0.00 0.00 0.00 60.65 62.64 1cfr s ILE 222 Cb -0.16 -4.29 0.01 0.00 0.01 0.00 0.00 42.46 38.04 1cfr s ILE 222 CO 0.17 0.36 0.74 -3.20 0.00 0.00 0.00 174.94 173.01 1cfr n ASN 223 N 2.53 -5.11 -4.83 3.58 5.15 -1.26 -4.95 115.26 110.37 1cfr n ASN 223 Ca 0.01 -1.04 -0.28 0.00 -0.60 0.00 0.00 54.58 52.67 1cfr n ASN 223 Cb 0.49 -2.83 0.09 0.00 -0.53 0.00 0.00 39.78 37.00 1cfr n ASN 223 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1cfr s PRO 224 N -6.09 1.90 0.23 1.20 0.04 -1.26 -4.97 135.00 126.05 1cfr s PRO 224 Ca 0.40 -0.08 -0.05 0.00 0.04 0.00 0.00 61.00 61.31 1cfr s PRO 224 Cb -0.17 -2.02 0.24 0.00 0.04 0.00 0.00 34.50 32.59 1cfr s PRO 224 CO 0.89 -1.56 1.76 1.79 0.04 0.00 0.00 177.00 179.92 1cfr h THR 225 N -0.96 1.25 0.00 1.26 1.35 -1.96 -3.49 112.91 110.36 1cfr h THR 225 Ca -0.45 -0.92 0.00 0.00 -0.55 0.00 0.00 66.41 64.49 1cfr h THR 225 Cb 1.31 0.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 1cfr h THR 225 CO 0.61 0.35 0.00 0.61 -0.25 0.00 0.00 175.52 176.84 1cfr n GLY 226 N -0.75 -0.25 3.46 5.82 0.00 -1.26 -5.03 105.19 107.19 1cfr n GLY 226 Ca 0.05 -1.74 -0.27 0.00 0.00 0.00 0.00 46.02 44.05 1cfr n GLY 226 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1cfr s ILE 227 N -2.15 2.58 0.23 -0.61 -4.36 -1.26 -4.95 121.20 110.68 1cfr s ILE 227 Ca 0.00 -1.89 0.09 0.00 -0.26 0.00 0.00 60.65 58.59 1cfr s ILE 227 Cb 0.00 -2.24 -0.04 0.00 1.25 0.00 0.00 42.46 41.43 1cfr s ILE 227 CO 0.00 -0.09 -0.01 -0.13 0.24 0.00 0.00 174.94 174.95 1cfr s ARG 228 N -2.63 2.29 -0.10 0.37 1.81 -1.19 -5.02 118.95 114.49 1cfr s ARG 228 Ca 0.21 -1.32 -0.02 0.00 -1.72 0.00 0.00 55.73 52.88 1cfr s ARG 228 Cb -0.08 -2.21 0.03 0.00 -0.45 0.00 0.00 34.95 32.24 1cfr s ARG 228 CO 0.11 0.40 0.01 -0.47 -0.68 0.00 0.00 175.30 174.66 1cfr s TYR 229 N -2.10 0.73 0.23 -0.53 6.14 -1.26 -2.08 117.35 118.48 1cfr s TYR 229 Ca 0.30 -0.31 0.09 0.00 0.64 0.00 0.00 57.07 57.78 1cfr s TYR 229 Cb -0.07 -0.85 -0.04 0.00 0.42 0.00 0.00 41.96 41.42 1cfr s TYR 229 CO 0.19 -0.39 -0.00 0.71 0.64 0.00 0.00 175.55 176.70 1cfr s TYR 230 N 1.95 2.76 0.08 4.97 2.02 -0.32 -0.65 117.35 128.16 1cfr s TYR 230 Ca 0.04 -0.19 0.05 0.00 -0.37 0.00 0.00 57.07 56.60 1cfr s TYR 230 Cb -0.13 -1.27 -0.03 0.00 -0.40 0.00 0.00 41.96 40.13 1cfr s TYR 230 CO -0.06 0.57 -0.15 0.00 -1.57 0.00 0.00 175.55 174.34 1cfr s ALA 231 N -2.06 1.24 -0.00 3.71 0.00 -0.85 -1.53 121.76 122.26 1cfr s ALA 231 Ca 0.30 -1.03 -0.15 0.00 0.00 0.00 0.00 51.96 51.07 1cfr s ALA 231 Cb -0.08 -0.11 0.02 0.00 0.00 0.00 0.00 23.12 22.96 1cfr s ALA 231 CO 0.19 0.18 0.32 0.00 0.00 0.00 0.00 175.76 176.45 1cfr s ALA 232 N -1.29 -0.79 0.18 0.00 0.00 -1.00 0.31 121.76 119.17 1cfr s ALA 232 Ca -0.01 0.29 -0.15 0.00 0.00 0.00 0.00 51.96 52.09 1cfr s ALA 232 Cb -0.10 0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.16 1cfr s ALA 232 CO 0.02 -0.29 0.46 0.00 0.00 0.00 0.00 175.76 175.95 1cfr s ALA 233 N -1.56 -0.71 0.14 0.00 0.00 -0.79 -1.39 121.76 117.44 1cfr s ALA 233 Ca -0.12 -0.37 0.34 0.00 0.00 0.00 0.00 51.96 51.81 1cfr s ALA 233 Cb -0.04 0.84 1.58 0.00 0.00 0.00 0.00 23.12 25.50 1cfr s ALA 233 CO 0.03 -0.75 2.02 1.79 0.00 0.00 0.00 175.76 178.85 1cfr h THR 234 N 2.30 0.00 -2.43 0.00 1.35 -1.35 0.13 112.91 112.91 1cfr h THR 234 Ca -0.30 -0.29 -0.07 0.00 -0.55 0.00 0.00 66.41 65.20 1cfr h THR 234 Cb 1.25 1.21 -0.24 0.00 -1.73 0.00 0.00 68.15 68.64 1cfr h THR 234 CO 0.41 0.00 -0.17 -0.55 -0.25 0.00 0.00 175.52 174.95 1cfr s SER 235 N -5.18 -0.65 0.06 5.36 0.15 -1.26 -4.43 113.70 107.75 1cfr s SER 235 Ca -0.00 1.10 0.06 0.00 0.70 0.00 0.00 55.95 57.81 1cfr s SER 235 Cb 0.10 1.00 -0.03 0.00 -1.71 0.00 0.00 66.02 65.38 1cfr s SER 235 CO 0.46 -0.20 -0.17 0.27 1.20 0.00 0.00 173.24 174.79 1cfr s ILE 236 N 1.29 1.37 0.11 6.45 -4.36 -1.26 -4.63 121.20 120.17 1cfr s ILE 236 Ca -0.08 -1.23 0.01 0.00 -0.26 0.00 0.00 60.65 59.09 1cfr s ILE 236 Cb -0.07 -1.24 -0.04 0.00 1.25 0.00 0.00 42.46 42.36 1cfr s ILE 236 CO -0.13 -0.01 -0.04 -0.83 0.24 0.00 0.00 174.94 174.17 1cfr s GLY 237 N -1.45 0.84 0.37 6.27 0.00 -1.26 -5.04 107.32 107.06 1cfr s GLY 237 Ca 0.03 -1.39 0.15 0.00 0.00 0.00 0.00 44.72 43.51 1cfr s GLY 237 CO 0.02 -1.45 1.76 3.43 0.00 0.00 0.00 173.10 176.86 1cfr h ASN 238 N 2.92 0.53 0.03 1.64 -0.26 -2.01 1.00 115.58 119.43 1cfr h ASN 238 Ca -0.35 0.10 -0.01 0.00 -0.56 0.00 0.00 56.30 55.48 1cfr h ASN 238 Cb 1.17 0.01 -0.00 0.00 -1.06 0.00 0.00 38.32 38.44 1cfr h ASN 238 CO 0.64 0.11 -0.03 0.00 -1.06 0.00 0.00 177.43 177.09 1cfr h ALA 239 N 1.65 1.89 -0.37 -0.83 0.00 -2.02 -2.12 119.26 117.45 1cfr h ALA 239 Ca 0.60 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 55.32 1cfr h ALA 239 Cb 1.38 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 1cfr h ALA 239 CO -0.35 0.04 -0.41 -0.44 0.00 0.00 0.00 179.25 178.09 1cfr h ASP 240 N 0.00 1.00 -0.14 0.00 3.32 -1.21 -3.22 116.42 116.18 1cfr h ASP 240 Ca -0.00 -0.48 -0.02 0.00 0.02 0.00 0.00 57.03 56.55 1cfr h ASP 240 Cb 0.06 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 1cfr h ASP 240 CO 0.00 1.28 0.04 0.58 -1.72 0.00 0.00 179.24 179.42 1cfr h VAL 241 N 0.75 1.11 0.06 -1.35 2.07 -1.36 -2.84 116.25 114.69 1cfr h VAL 241 Ca 0.05 -0.39 0.03 0.00 0.82 0.00 0.00 66.70 67.21 1cfr h VAL 241 Cb 1.01 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 31.64 1cfr h VAL 241 CO 0.10 0.14 -0.38 0.40 0.02 0.00 0.00 177.57 177.85 1cfr h ILE 242 N 0.29 0.22 0.01 4.57 2.04 -1.55 -1.98 117.51 121.12 1cfr h ILE 242 Ca 0.07 0.00 -0.19 0.00 1.00 0.00 0.00 64.86 65.74 1cfr h ILE 242 Cb 0.13 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 1cfr h ILE 242 CO -0.00 0.00 -0.90 1.23 0.00 0.00 0.00 178.15 178.48 1cfr h GLY 243 N -0.57 0.09 1.53 5.37 0.00 -1.72 -3.34 103.07 104.43 1cfr h GLY 243 Ca 0.04 -0.18 -0.20 0.00 0.00 0.00 0.00 47.33 46.99 1cfr h GLY 243 CO -0.26 0.16 -0.81 1.41 0.00 0.00 0.00 176.54 177.04 1cfr h LEU 244 N 0.04 0.55 -3.32 3.11 3.38 -1.39 -3.30 115.31 114.38 1cfr h LEU 244 Ca -0.03 -0.39 -0.34 0.00 0.09 0.00 0.00 57.88 57.22 1cfr h LEU 244 Cb 1.57 -0.16 -0.18 0.00 0.09 0.00 0.00 40.66 41.98 1cfr h LEU 244 CO 0.13 1.15 0.43 0.29 0.09 0.00 0.00 178.44 180.53 1cfr n LYS 245 N -3.81 1.82 -2.11 1.13 5.02 -0.75 -2.64 118.16 116.82 1cfr n LYS 245 Ca -0.05 -1.81 -0.30 0.00 -2.02 0.00 0.00 58.31 54.13 1cfr n LYS 245 Cb 0.76 -1.71 0.01 0.00 -0.02 0.00 0.00 35.03 34.07 1cfr n LYS 245 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1cfr s THR 246 N -2.25 4.75 0.54 -0.18 -1.32 -1.24 -4.75 115.64 111.17 1cfr s THR 246 Ca 0.35 0.66 -0.22 0.00 -1.21 0.00 0.00 61.69 61.27 1cfr s THR 246 Cb 0.28 -3.86 -0.05 0.00 -1.51 0.00 0.00 72.50 67.36 1cfr s THR 246 CO 0.04 -1.05 1.31 1.33 -2.21 0.00 0.00 174.62 174.04 1cfr n VAL 247 N -2.60 3.68 -2.31 5.08 0.24 -1.26 -0.27 118.33 120.89 1cfr n VAL 247 Ca 0.04 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.34 61.42 1cfr n VAL 247 Cb 0.54 -1.61 -0.03 0.00 -1.47 0.00 0.00 33.84 31.28 1cfr n VAL 247 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1cfr s ALA 248 N -1.30 3.49 0.38 2.33 0.00 0.48 -4.37 121.76 122.79 1cfr s ALA 248 Ca 0.71 0.93 0.18 0.00 0.00 0.00 0.00 51.96 53.78 1cfr s ALA 248 Cb -0.43 -3.50 1.11 0.00 0.00 0.00 0.00 23.12 20.30 1cfr s ALA 248 CO 0.50 -0.58 1.73 1.15 0.00 0.00 0.00 175.76 178.55 1cfr h THR 249 N 4.51 0.44 0.00 0.00 2.02 -1.89 -1.93 112.91 116.06 1cfr h THR 249 Ca -0.41 -0.13 -0.05 0.00 0.77 0.00 0.00 66.41 66.59 1cfr h THR 249 Cb 1.20 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 1cfr h THR 249 CO 0.85 0.07 -0.25 1.12 0.37 0.00 0.00 175.52 177.68 1cfr h HIS 250 N 0.37 0.00 0.00 3.16 2.07 -1.90 -2.99 115.15 115.86 1cfr h HIS 250 Ca 0.66 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 58.16 1cfr h HIS 250 Cb 1.64 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.62 1cfr h HIS 250 CO -0.00 0.25 -0.06 0.77 -3.07 0.00 0.00 177.93 175.81 1cfr h SER 251 N 0.00 0.00 0.74 3.10 0.02 -1.67 -2.44 113.55 113.31 1cfr h SER 251 Ca -0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1cfr h SER 251 Cb 0.64 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 1cfr h SER 251 CO 0.03 0.06 -0.18 0.40 -1.14 0.00 0.00 176.83 176.01 1cfr h ILE 252 N 0.00 0.52 -0.02 3.27 2.04 -1.66 -3.15 117.51 118.51 1cfr h ILE 252 Ca -0.00 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 64.96 1cfr h ILE 252 Cb 0.34 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 1cfr h ILE 252 CO 0.01 0.18 -0.33 0.35 0.00 0.00 0.00 178.15 178.36 1cfr n THR 253 N -3.44 0.00 -3.75 -0.27 -2.24 -0.92 -4.90 114.28 98.75 1cfr n THR 253 Ca -0.00 -0.34 -0.24 0.00 -2.27 0.00 0.00 64.05 61.19 1cfr n THR 253 Cb 0.36 1.31 -0.17 0.00 -2.10 0.00 0.00 70.33 69.73 1cfr n THR 253 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1cfr s ASP 254 N -2.25 2.01 0.23 3.42 2.15 -1.19 -4.99 116.67 116.05 1cfr s ASP 254 Ca 0.20 -0.32 0.25 0.00 0.43 0.00 0.00 52.55 53.11 1cfr s ASP 254 Cb 0.18 -0.48 0.59 0.00 -0.30 0.00 0.00 42.92 42.91 1cfr s ASP 254 CO 0.47 -0.23 1.62 1.62 -0.17 0.00 0.00 175.17 178.48 1cfr h VAL 255 N 6.38 0.00 -0.06 1.11 3.04 -1.91 -3.37 116.25 121.45 1cfr h VAL 255 Ca -0.18 -0.60 0.02 0.00 -1.01 0.00 0.00 66.70 64.92 1cfr h VAL 255 Cb 1.12 1.49 -0.00 0.00 -2.01 0.00 0.00 31.29 31.89 1cfr h VAL 255 CO 0.28 0.00 0.05 0.11 -1.01 0.00 0.00 177.57 177.00 1cfr h LYS 256 N 0.00 0.00 -6.18 4.17 1.79 -1.95 -3.44 116.57 110.97 1cfr h LYS 256 Ca 0.00 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.87 1cfr h LYS 256 Cb 0.80 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.31 1cfr h LYS 256 CO 0.00 0.00 -0.76 -1.54 -1.08 0.00 0.00 179.45 176.07 1cfr s SER 257 N -6.67 3.56 0.48 0.86 1.04 -1.26 -5.11 113.70 106.60 1cfr s SER 257 Ca -0.05 -1.04 -0.24 0.00 0.48 0.00 0.00 55.95 55.11 1cfr s SER 257 Cb 0.17 -0.30 -0.07 0.00 0.10 0.00 0.00 66.02 65.92 1cfr s SER 257 CO 0.63 0.02 1.39 -0.76 0.98 0.00 0.00 173.24 175.51 1cfr s LEU 258 N -3.51 4.02 0.24 2.42 1.43 -1.26 -4.92 118.68 117.11 1cfr s LEU 258 Ca 0.30 2.84 -0.30 0.00 -1.03 0.00 0.00 54.13 55.93 1cfr s LEU 258 Cb -0.05 -4.06 -0.10 0.00 0.03 0.00 0.00 46.19 42.01 1cfr s LEU 258 CO 0.15 -1.30 1.48 -2.84 0.23 0.00 0.00 176.35 174.07 1cfr s PRO 259 N -2.61 4.24 0.10 1.29 0.02 -1.26 -5.01 135.00 131.77 1cfr s PRO 259 Ca 0.65 2.35 0.05 0.00 0.02 0.00 0.00 61.00 64.06 1cfr s PRO 259 Cb -0.42 -3.10 -0.04 0.00 0.02 0.00 0.00 34.50 30.96 1cfr s PRO 259 CO 0.52 -0.47 0.01 -0.65 -0.33 0.00 0.00 177.00 176.08 1cfr s GLN 260 N -0.21 2.58 0.27 5.54 -0.21 -1.26 -5.05 119.66 121.32 1cfr s GLN 260 Ca 0.61 -0.86 -0.09 0.00 0.02 0.00 0.00 55.36 55.04 1cfr s GLN 260 Cb -0.43 -2.54 -0.07 0.00 1.00 0.00 0.00 33.01 30.97 1cfr s GLN 260 CO 0.42 0.53 0.59 0.45 -2.12 0.00 0.00 175.29 175.16 1cfr s SER 261 N -2.44 6.59 0.07 5.90 0.15 -1.26 -0.38 113.70 122.32 1cfr s SER 261 Ca 0.27 0.93 -0.20 0.00 0.70 0.00 0.00 55.95 57.65 1cfr s SER 261 Cb -0.11 -2.23 -0.11 0.00 -1.71 0.00 0.00 66.02 61.86 1cfr s SER 261 CO 0.19 -0.14 1.48 0.00 1.20 0.00 0.00 173.24 175.97 1cfr h ALA 262 N 2.21 0.27 -3.10 5.45 0.00 -0.83 -3.39 119.26 119.87 1cfr h ALA 262 Ca -0.47 -0.23 -0.67 0.00 0.00 0.00 0.00 54.91 53.55 1cfr h ALA 262 Cb 1.18 -0.07 -0.30 0.00 0.00 0.00 0.00 17.79 18.59 1cfr h ALA 262 CO 0.68 0.01 -0.74 0.08 0.00 0.00 0.00 179.25 179.28 1cfr s VAL 263 N -4.87 3.09 0.19 0.00 1.01 -1.08 -4.35 120.40 114.38 1cfr s VAL 263 Ca -0.14 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 1cfr s VAL 263 Cb 0.06 -2.47 -0.08 0.00 0.00 0.00 0.00 36.38 33.90 1cfr s VAL 263 CO 0.74 0.33 1.48 0.44 0.00 0.00 0.00 175.10 178.09 1cfr h ASP 264 N 8.07 0.49 -4.33 3.32 3.32 -1.11 -3.41 116.42 122.76 1cfr h ASP 264 Ca -0.38 -0.29 -0.06 0.00 0.02 0.00 0.00 57.03 56.31 1cfr h ASP 264 Cb 1.14 -0.14 -0.21 0.00 0.22 0.00 0.00 39.33 40.34 1cfr h ASP 264 CO 0.60 1.00 0.06 -1.61 -1.72 0.00 0.00 179.24 177.57 1cfr s GLU 265 N -3.77 0.83 -0.09 3.56 2.02 -1.25 -5.06 118.70 114.94 1cfr s GLU 265 Ca -0.06 0.64 0.02 0.00 0.02 0.00 0.00 54.97 55.59 1cfr s GLU 265 Cb 0.11 0.40 -0.02 0.00 0.10 0.00 0.00 34.13 34.72 1cfr s GLU 265 CO 0.83 -0.16 -0.15 0.42 0.02 0.00 0.00 175.26 176.22 1cfr s ILE 266 N -0.20 2.97 0.09 -1.63 1.09 -1.26 -2.00 121.20 120.26 1cfr s ILE 266 Ca -0.04 -0.73 0.10 0.00 -1.10 0.00 0.00 60.65 58.89 1cfr s ILE 266 Cb -0.03 -2.19 -0.04 0.00 -1.06 0.00 0.00 42.46 39.14 1cfr s ILE 266 CO 0.04 0.56 -0.27 -0.36 -0.10 0.00 0.00 174.94 174.81 1cfr s PHE 267 N -0.17 2.32 -0.29 3.97 0.08 0.15 -4.97 117.98 119.07 1cfr s PHE 267 Ca -0.01 -0.39 -0.14 0.00 0.12 0.00 0.00 56.93 56.51 1cfr s PHE 267 Cb -0.13 -1.31 -0.03 0.00 -0.57 0.00 0.00 43.02 40.97 1cfr s PHE 267 CO 0.03 0.25 0.33 0.21 -0.10 0.00 0.00 175.22 175.94 1cfr s LYS 268 N -1.71 3.89 -0.41 0.44 2.36 -1.26 -1.89 119.74 121.16 1cfr s LYS 268 Ca 0.13 -0.15 0.02 0.00 -2.55 0.00 0.00 55.97 53.42 1cfr s LYS 268 Cb -0.10 -3.69 0.12 0.00 -1.05 0.00 0.00 37.83 33.11 1cfr s LYS 268 CO 0.04 -0.32 0.19 0.42 1.55 0.00 0.00 175.35 177.24 1cfr s ILE 269 N 1.99 1.52 -0.07 5.43 1.01 0.46 -4.87 121.20 126.68 1cfr s ILE 269 Ca 0.13 -2.39 0.10 0.00 0.00 0.00 0.00 60.65 58.48 1cfr s ILE 269 Cb -0.16 -2.09 0.16 0.00 0.01 0.00 0.00 42.46 40.38 1cfr s ILE 269 CO 0.11 -0.81 1.08 -3.20 0.00 0.00 0.00 174.94 172.12 1cfr n ASN 270 N 3.82 2.19 -3.68 3.58 5.15 -1.26 -3.95 115.26 121.11 1cfr n ASN 270 Ca 0.06 -2.59 -0.04 0.00 -0.60 0.00 0.00 54.58 51.40 1cfr n ASN 270 Cb 0.36 -0.23 -0.01 0.00 -0.53 0.00 0.00 39.78 39.37 1cfr n ASN 270 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1cfr s SER 271 N -2.02 -0.20 0.30 1.20 1.04 -1.26 -0.20 113.70 112.56 1cfr s SER 271 Ca 0.17 -0.28 -0.01 0.00 0.48 0.00 0.00 55.95 56.32 1cfr s SER 271 Cb 0.15 0.42 0.47 0.00 0.10 0.00 0.00 66.02 67.16 1cfr s SER 271 CO 0.02 -0.75 1.94 0.58 0.98 0.00 0.00 173.24 176.01 1cfr h VAL 272 N 2.00 1.21 0.00 5.02 2.07 -1.89 -1.91 116.25 122.75 1cfr h VAL 272 Ca -0.24 -0.47 -0.08 0.00 0.82 0.00 0.00 66.70 66.72 1cfr h VAL 272 Cb 1.23 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1cfr h VAL 272 CO 0.27 0.22 -0.39 -0.07 0.02 0.00 0.00 177.57 177.62 1cfr h LEU 273 N 0.99 0.00 -0.62 2.57 3.38 -1.95 -2.14 115.31 117.54 1cfr h LEU 273 Ca 0.26 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.08 1cfr h LEU 273 Cb -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1cfr h LEU 273 CO -0.05 0.39 -0.66 0.44 0.09 0.00 0.00 178.44 178.65 1cfr h ASP 274 N 0.00 0.18 -0.10 -0.43 3.32 -1.71 -2.06 116.42 115.61 1cfr h ASP 274 Ca -0.00 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 1cfr h ASP 274 Cb 0.71 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.21 1cfr h ASP 274 CO 0.05 0.78 -0.01 0.58 -1.72 0.00 0.00 179.24 178.93 1cfr h VAL 275 N 0.11 1.27 -0.65 -1.35 2.07 -0.78 -1.71 116.25 115.20 1cfr h VAL 275 Ca -0.01 -0.86 0.01 0.00 0.82 0.00 0.00 66.70 66.66 1cfr h VAL 275 Cb 1.18 1.63 -0.04 0.00 -1.52 0.00 0.00 31.29 32.55 1cfr h VAL 275 CO 0.10 0.24 0.42 0.44 0.02 0.00 0.00 177.57 178.80 1cfr h ASP 276 N -0.10 0.72 -0.19 0.57 3.32 -1.35 0.30 116.42 119.69 1cfr h ASP 276 Ca 0.03 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 1cfr h ASP 276 Cb 0.38 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1cfr h ASP 276 CO 0.01 0.52 0.11 0.28 -1.72 0.00 0.00 179.24 178.43 1cfr h SER 277 N 0.86 0.24 -0.25 6.45 0.02 -1.33 0.08 113.55 119.63 1cfr h SER 277 Ca 0.25 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1cfr h SER 277 Cb -0.06 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 1cfr h SER 277 CO -0.07 0.25 0.15 0.00 -1.14 0.00 0.00 176.83 176.02 1cfr h LEU 279 N 0.30 0.91 -1.30 0.00 3.38 -0.79 0.29 115.31 118.10 1cfr h LEU 279 Ca 0.09 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 1cfr h LEU 279 Cb 0.03 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1cfr h LEU 279 CO -0.02 0.89 -0.33 0.28 0.09 0.00 0.00 178.44 179.36 1cfr h SER 280 N 0.91 0.00 0.68 -0.43 0.02 -0.91 -1.54 113.55 112.28 1cfr h SER 280 Ca 0.19 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.88 1cfr h SER 280 Cb 0.36 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.87 1cfr h SER 280 CO 0.00 0.33 -1.41 -0.74 -1.14 0.00 0.00 176.83 173.87 1cfr h HIS 281 N 0.00 0.07 0.00 3.45 -0.00 -0.93 -3.35 115.15 114.39 1cfr h HIS 281 Ca -0.00 -0.05 -0.02 0.00 -0.00 0.00 0.00 60.37 60.30 1cfr h HIS 281 Cb 0.66 -0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.06 1cfr h HIS 281 CO 0.00 1.06 -0.72 0.82 -0.00 0.00 0.00 177.93 179.09 1cfr h ILE 282 N 0.01 0.08 -0.03 6.26 1.08 -0.84 -3.51 117.51 120.56 1cfr h ILE 282 Ca -0.17 -1.13 0.00 0.00 -0.39 0.00 0.00 64.86 63.17 1cfr h ILE 282 Cb 1.92 1.72 0.00 0.00 -3.07 0.00 0.00 36.82 37.39 1cfr h ILE 282 CO 0.11 0.04 0.00 0.18 -0.69 0.00 0.00 178.15 177.79