#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3chw n GLY 2 N 0.00 0.39 0.13 0.00 0.00 -1.26 -4.82 105.19 99.64 3chw n GLY 2 Ca 0.00 -1.38 -0.00 0.00 0.00 0.00 0.00 46.02 44.64 3chw n GLY 2 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3chw h TRP 3 N 0.00 0.00 -0.26 1.61 4.06 -2.02 -2.89 115.95 116.45 3chw h TRP 3 Ca 0.00 0.00 0.04 0.00 2.06 0.00 0.00 58.89 60.99 3chw h TRP 3 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 3chw h TRP 3 CO 0.00 0.62 0.18 -0.91 -3.56 0.00 0.00 178.44 174.77 3chw h ASN 4 N 0.00 0.15 0.56 -3.49 4.21 -1.94 0.15 115.58 115.22 3chw h ASN 4 Ca -0.01 -0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.48 3chw h ASN 4 Cb 1.26 -0.04 -0.00 0.00 -1.12 0.00 0.00 38.32 38.42 3chw h ASN 4 CO 0.08 0.11 -0.13 0.00 -1.29 0.00 0.00 177.43 176.20 3chw h ALA 5 N 1.86 1.16 -0.16 -0.83 0.00 -1.83 -2.37 119.26 117.09 3chw h ALA 5 Ca 0.11 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 3chw h ALA 5 Cb 0.23 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.00 3chw h ALA 5 CO -0.02 0.16 -0.57 1.88 0.00 0.00 0.00 179.25 180.70 3chw h TYR 6 N 0.00 0.88 -0.80 0.00 -1.99 -0.85 -2.36 116.97 111.86 3chw h TYR 6 Ca -0.00 -0.37 0.01 0.00 2.00 0.00 0.00 58.73 60.38 3chw h TYR 6 Cb 0.44 -0.15 -0.04 0.00 2.00 0.00 0.00 36.73 38.98 3chw h TYR 6 CO 0.00 1.16 0.53 0.82 -0.00 0.00 0.00 178.16 180.67 3chw h ILE 7 N 0.35 1.19 0.00 -2.88 1.08 -1.40 -2.28 117.51 113.58 3chw h ILE 7 Ca -0.03 -0.37 -0.06 0.00 -0.39 0.00 0.00 64.86 64.01 3chw h ILE 7 Cb 1.20 0.02 -0.01 0.00 -3.07 0.00 0.00 36.82 34.96 3chw h ILE 7 CO 0.12 0.20 -0.30 0.44 -0.69 0.00 0.00 178.15 177.91 3chw h ASP 8 N 1.07 0.00 0.06 1.72 3.32 -1.40 -2.04 116.42 119.15 3chw h ASP 8 Ca 0.30 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.15 3chw h ASP 8 Cb -0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.46 3chw h ASP 8 CO -0.08 0.30 -0.73 -1.13 -1.72 0.00 0.00 179.24 175.89 3chw h ASN 9 N 0.00 0.69 0.30 6.45 -0.73 -1.13 -2.56 115.58 118.60 3chw h ASN 9 Ca -0.00 -0.44 -0.17 0.00 1.87 0.00 0.00 56.30 57.55 3chw h ASN 9 Cb 0.78 -0.20 -0.01 0.00 0.27 0.00 0.00 38.32 39.16 3chw h ASN 9 CO 0.04 1.21 -0.68 -0.07 -0.37 0.00 0.00 177.43 177.55 3chw h LEU 10 N 0.41 0.40 -0.08 0.34 3.38 -1.24 -3.15 115.31 115.37 3chw h LEU 10 Ca -0.03 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3chw h LEU 10 Cb 1.32 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3chw h LEU 10 CO 0.14 0.97 -0.46 0.23 0.09 0.00 0.00 178.44 179.40 3chw n MET 11 N -3.85 0.13 -0.24 1.13 2.81 -0.78 -4.49 117.12 111.84 3chw n MET 11 Ca -0.03 -0.08 0.04 0.00 -1.81 0.00 0.00 57.70 55.82 3chw n MET 11 Cb 0.67 -1.50 0.16 0.00 -0.71 0.00 0.00 33.22 31.85 3chw n MET 11 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3chw h ALA 12 N 3.11 0.94 -0.00 3.04 0.00 -1.41 -2.74 119.26 122.20 3chw h ALA 12 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3chw h ALA 12 Cb 0.50 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3chw h ALA 12 CO 0.00 -0.26 -0.01 -0.40 0.00 0.00 0.00 179.25 178.58 3chw n ASP 13 N -5.06 0.05 0.00 0.00 5.68 -1.26 -4.92 116.55 111.03 3chw n ASP 13 Ca 0.13 -0.20 0.00 0.00 -0.50 0.00 0.00 54.79 54.22 3chw n ASP 13 Cb 0.39 -0.26 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 3chw n ASP 13 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3chw n GLY 14 N 1.28 1.17 0.19 6.12 0.00 -1.03 -4.87 105.19 108.05 3chw n GLY 14 Ca 0.14 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.23 3chw n GLY 14 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3chw h THR 15 N 0.00 0.68 -3.36 2.61 1.35 -1.91 -3.47 112.91 108.81 3chw h THR 15 Ca 0.00 -1.53 -0.66 0.00 -0.55 0.00 0.00 66.41 63.68 3chw h THR 15 Cb 0.00 2.01 -0.13 0.00 -1.73 0.00 0.00 68.15 68.30 3chw h THR 15 CO 0.00 0.32 -0.65 0.00 -0.25 0.00 0.00 175.52 174.94 3chw n GLN 17 N 1.05 0.61 -3.69 0.00 10.64 -0.29 -4.74 117.38 120.95 3chw n GLN 17 Ca -0.13 -0.15 -0.14 0.00 -1.83 0.00 0.00 57.00 54.75 3chw n GLN 17 Cb 0.52 -1.42 -0.08 0.00 -0.86 0.00 0.00 30.24 28.40 3chw n GLN 17 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 3chw s ASP 18 N -3.96 -0.35 0.02 2.61 2.15 -1.16 -4.98 116.67 111.00 3chw s ASP 18 Ca -0.05 0.35 -0.16 0.00 0.43 0.00 0.00 52.55 53.12 3chw s ASP 18 Cb 0.12 0.45 0.03 0.00 -0.30 0.00 0.00 42.92 43.22 3chw s ASP 18 CO 0.76 -0.45 0.36 0.00 -0.17 0.00 0.00 175.17 175.66 3chw s ALA 19 N -1.09 -0.87 -0.15 3.66 0.00 -1.26 -1.24 121.76 120.82 3chw s ALA 19 Ca -0.11 0.28 -0.21 0.00 0.00 0.00 0.00 51.96 51.92 3chw s ALA 19 Cb -0.04 0.23 0.05 0.00 0.00 0.00 0.00 23.12 23.36 3chw s ALA 19 CO 0.05 -0.37 0.54 0.00 0.00 0.00 0.00 175.76 175.98 3chw s ALA 20 N -2.04 -1.35 -0.21 0.00 0.00 -0.55 -2.64 121.76 114.96 3chw s ALA 20 Ca -0.08 1.32 -0.02 0.00 0.00 0.00 0.00 51.96 53.17 3chw s ALA 20 Cb -0.02 -0.58 0.00 0.00 0.00 0.00 0.00 23.12 22.52 3chw s ALA 20 CO 0.00 -0.28 -0.09 0.42 0.00 0.00 0.00 175.76 175.81 3chw s ILE 21 N -0.24 2.94 -0.15 0.00 -1.09 -0.37 -2.01 121.20 120.28 3chw s ILE 21 Ca -0.04 -0.68 0.00 0.00 -2.23 0.00 0.00 60.65 57.70 3chw s ILE 21 Cb -0.03 -2.34 0.02 0.00 -1.58 0.00 0.00 42.46 38.53 3chw s ILE 21 CO 0.03 0.43 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.33 3chw s VAL 22 N 1.41 1.61 0.04 2.92 1.01 -0.30 -0.18 120.40 126.91 3chw s VAL 22 Ca 0.05 -0.65 -0.31 0.00 0.00 0.00 0.00 61.98 61.07 3chw s VAL 22 Cb -0.14 -1.50 -0.06 0.00 0.00 0.00 0.00 36.38 34.67 3chw s VAL 22 CO -0.06 0.46 1.43 -0.83 0.00 0.00 0.00 175.10 176.10 3chw s GLY 23 N 1.46 1.86 0.00 4.51 0.00 -0.80 0.83 107.32 115.17 3chw s GLY 23 Ca 0.05 0.99 0.13 0.00 0.00 0.00 0.00 44.72 45.88 3chw s GLY 23 CO -0.11 2.51 0.84 1.58 0.00 0.00 0.00 173.10 177.93 3chw n TYR 24 N 5.00 0.00 -3.08 1.90 4.11 -1.02 -2.45 117.16 121.63 3chw n TYR 24 Ca 0.13 0.00 -0.32 0.00 -0.00 0.00 0.00 57.90 57.71 3chw n TYR 24 Cb 0.43 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 39.72 3chw n TYR 24 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 3chw s LYS 25 N -1.31 3.94 6.66 -3.48 -0.14 -1.26 -4.71 119.74 119.43 3chw s LYS 25 Ca 0.13 0.60 0.00 0.00 -1.36 0.00 0.00 55.97 55.35 3chw s LYS 25 Cb 0.11 -2.43 0.00 0.00 -1.68 0.00 0.00 37.83 33.83 3chw s LYS 25 CO 0.23 0.11 0.00 -0.25 -0.76 0.00 0.00 175.35 174.68 3chw n ASP 26 N -0.60 0.00 -4.39 2.83 8.00 -1.26 -3.86 116.55 117.28 3chw n ASP 26 Ca 0.03 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.10 3chw n ASP 26 Cb 0.53 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.54 3chw n ASP 26 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3chw s SER 27 N -4.00 6.03 0.32 -2.24 0.01 -1.26 -5.06 113.70 107.50 3chw s SER 27 Ca 0.00 -1.20 -0.28 0.00 1.31 0.00 0.00 55.95 55.77 3chw s SER 27 Cb 0.00 -2.13 -0.10 0.00 0.21 0.00 0.00 66.02 64.00 3chw s SER 27 CO 0.00 -0.55 1.21 -2.16 0.41 0.00 0.00 173.24 172.14 3chw s PRO 28 N 1.61 4.41 -0.02 12.44 0.04 -1.25 -4.93 135.00 147.31 3chw s PRO 28 Ca 0.04 2.00 -0.28 0.00 0.04 0.00 0.00 61.00 62.80 3chw s PRO 28 Cb -0.22 -3.05 0.06 0.00 0.04 0.00 0.00 34.50 31.33 3chw s PRO 28 CO 0.07 -0.06 0.62 -1.54 0.04 0.00 0.00 177.00 176.13 3chw s SER 29 N -0.74 -0.59 0.02 6.66 1.04 -1.02 -4.69 113.70 114.38 3chw s SER 29 Ca 0.49 0.54 -0.30 0.00 0.48 0.00 0.00 55.95 57.15 3chw s SER 29 Cb -0.35 0.52 -0.03 0.00 0.10 0.00 0.00 66.02 66.25 3chw s SER 29 CO 0.46 -0.64 0.98 0.54 0.98 0.00 0.00 173.24 175.56 3chw s VAL 30 N -1.59 4.79 -0.12 5.02 0.11 -1.26 -1.91 120.40 125.44 3chw s VAL 30 Ca -0.09 2.04 0.20 0.00 -2.93 0.00 0.00 61.98 61.20 3chw s VAL 30 Cb -0.01 -4.31 -0.22 0.00 -1.53 0.00 0.00 36.38 30.32 3chw s VAL 30 CO 0.06 0.18 0.58 0.79 -3.33 0.00 0.00 175.10 173.38 3chw n TRP 31 N 3.73 0.39 -3.59 1.54 8.01 0.75 -4.94 117.44 123.33 3chw n TRP 31 Ca 0.06 0.12 -0.08 0.00 -1.31 0.00 0.00 57.50 56.28 3chw n TRP 31 Cb 0.51 -0.81 -0.05 0.00 -2.01 0.00 0.00 31.31 28.95 3chw n TRP 31 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3chw s ALA 32 N -3.17 -1.97 -0.17 6.99 0.00 -1.13 -4.73 121.76 117.59 3chw s ALA 32 Ca -0.06 1.64 -0.31 0.00 0.00 0.00 0.00 51.96 53.23 3chw s ALA 32 Cb 0.11 -0.83 0.14 0.00 0.00 0.00 0.00 23.12 22.53 3chw s ALA 32 CO 0.85 -0.31 1.11 0.00 0.00 0.00 0.00 175.76 177.41 3chw s ALA 33 N -1.19 -1.99 -0.01 0.00 0.00 -1.26 -1.24 121.76 116.07 3chw s ALA 33 Ca 0.01 1.55 -0.30 0.00 0.00 0.00 0.00 51.96 53.22 3chw s ALA 33 Cb -0.01 -0.50 -0.03 0.00 0.00 0.00 0.00 23.12 22.58 3chw s ALA 33 CO -0.01 -0.44 1.08 0.54 0.00 0.00 0.00 175.76 176.92 3chw s VAL 34 N -1.81 4.54 0.31 0.00 0.11 -1.08 -4.93 120.40 117.53 3chw s VAL 34 Ca 0.05 1.82 -0.28 0.00 -2.93 0.00 0.00 61.98 60.64 3chw s VAL 34 Cb -0.01 -4.17 -0.09 0.00 -1.53 0.00 0.00 36.38 30.58 3chw s VAL 34 CO -0.04 0.10 1.10 -2.16 -3.33 0.00 0.00 175.10 170.77 3chw s PRO 35 N 1.36 4.53 0.00 1.54 0.05 -1.26 -3.31 135.00 137.91 3chw s PRO 35 Ca 0.54 1.77 0.00 0.00 0.05 0.00 0.00 61.00 63.35 3chw s PRO 35 Cb -0.23 -3.06 0.00 0.00 0.05 0.00 0.00 34.50 31.26 3chw s PRO 35 CO 0.26 0.12 0.00 0.41 0.05 0.00 0.00 177.00 177.84 3chw n GLY 36 N 1.02 0.51 0.00 0.56 0.00 -1.26 -5.01 105.19 101.00 3chw n GLY 36 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 3chw n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3chw n LYS 37 N -2.92 3.96 -0.08 1.61 4.76 -1.21 -5.10 118.16 119.19 3chw n LYS 37 Ca 0.00 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.24 3chw n LYS 37 Cb 0.00 0.00 -0.13 0.00 -1.84 0.00 0.00 35.03 33.06 3chw n LYS 37 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 3chw n THR 38 N 0.00 1.61 -0.14 -0.18 -1.04 -1.26 -4.53 114.28 108.73 3chw n THR 38 Ca 0.00 -0.56 -0.05 0.00 -2.04 0.00 0.00 64.05 61.40 3chw n THR 38 Cb 0.00 -1.60 0.14 0.00 -1.82 0.00 0.00 70.33 67.05 3chw n THR 38 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 3chw h PHE 39 N -0.10 0.92 0.00 -1.42 0.04 -1.87 -1.89 116.94 112.63 3chw h PHE 39 Ca -0.52 -0.12 0.00 0.00 2.80 0.00 0.00 57.97 60.13 3chw h PHE 39 Cb 1.90 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 39.79 3chw h PHE 39 CO 0.04 0.82 0.44 -0.24 -0.60 0.00 0.00 178.31 178.77 3chw h VAL 40 N 0.82 0.00 -0.24 -0.55 3.04 -1.80 -1.23 116.25 116.29 3chw h VAL 40 Ca 0.17 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.86 3chw h VAL 40 Cb 0.42 0.32 0.00 0.00 -2.01 0.00 0.00 31.29 30.02 3chw h VAL 40 CO 0.01 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.16 3chw n ASN 41 N -2.27 3.56 -4.76 3.17 5.03 -0.71 -4.98 115.26 114.30 3chw n ASN 41 Ca -0.01 -2.88 -0.33 0.00 0.87 0.00 0.00 54.58 52.23 3chw n ASN 41 Cb 0.46 -0.48 0.05 0.00 -1.02 0.00 0.00 39.78 38.79 3chw n ASN 41 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 3chw s ILE 42 N -2.56 3.10 0.29 2.41 -4.36 -0.47 -4.20 121.20 115.41 3chw s ILE 42 Ca 0.38 0.52 0.10 0.00 -0.26 0.00 0.00 60.65 61.38 3chw s ILE 42 Cb 0.30 -3.04 -0.05 0.00 1.25 0.00 0.00 42.46 40.93 3chw s ILE 42 CO 0.09 -0.31 -0.01 0.42 0.24 0.00 0.00 174.94 175.36 3chw s THR 43 N -2.29 3.08 0.50 8.37 -4.23 -1.26 -4.87 115.64 114.95 3chw s THR 43 Ca 0.68 -1.97 0.15 0.00 -1.18 0.00 0.00 61.69 59.37 3chw s THR 43 Cb -0.22 -2.77 0.26 0.00 1.34 0.00 0.00 72.50 71.11 3chw s THR 43 CO 0.42 -0.32 2.13 -0.65 -0.54 0.00 0.00 174.62 175.66 3chw h PRO 44 N 1.88 0.07 0.04 3.99 0.11 -1.96 -1.36 132.00 134.77 3chw h PRO 44 Ca -0.43 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 3chw h PRO 44 Cb 1.25 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3chw h PRO 44 CO 0.62 0.06 -0.02 0.00 -0.21 0.00 0.00 178.00 178.45 3chw h ALA 45 N 1.95 -0.06 -0.55 -0.75 0.00 -1.98 -2.03 119.26 115.84 3chw h ALA 45 Ca 0.02 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 54.92 3chw h ALA 45 Cb 0.02 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.74 3chw h ALA 45 CO -0.00 -0.42 0.05 0.93 0.00 0.00 0.00 179.25 179.81 3chw h GLU 46 N -0.29 0.17 -0.85 0.00 5.08 -1.76 -2.35 114.58 114.58 3chw h GLU 46 Ca -0.01 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 3chw h GLU 46 Cb 0.26 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 3chw h GLU 46 CO 0.01 0.11 0.55 0.28 -1.00 0.00 0.00 179.01 178.96 3chw h VAL 47 N 0.18 1.16 0.00 3.13 2.07 -1.20 -2.86 116.25 118.73 3chw h VAL 47 Ca 0.29 -0.37 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 3chw h VAL 47 Cb 0.43 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 3chw h VAL 47 CO -0.42 0.20 -0.32 1.23 0.02 0.00 0.00 177.57 178.27 3chw h GLY 48 N 1.08 0.00 0.92 2.17 0.00 -0.91 -2.39 103.07 103.95 3chw h GLY 48 Ca 0.33 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.64 3chw h GLY 48 CO -0.10 0.00 -0.21 -2.08 0.00 0.00 0.00 176.54 174.15 3chw h VAL 49 N 0.00 0.57 -0.77 4.60 2.07 -1.25 -1.01 116.25 120.47 3chw h VAL 49 Ca -0.00 -0.15 0.17 0.00 0.82 0.00 0.00 66.70 67.55 3chw h VAL 49 Cb 0.82 0.64 -0.12 0.00 -1.52 0.00 0.00 31.29 31.11 3chw h VAL 49 CO 0.04 0.03 0.17 -0.07 0.02 0.00 0.00 177.57 177.76 3chw h LEU 50 N -0.67 -0.02 -1.82 2.57 3.38 -1.26 -3.11 115.31 114.38 3chw h LEU 50 Ca -0.06 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3chw h LEU 50 Cb 0.49 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3chw h LEU 50 CO 0.10 -0.07 0.00 1.33 0.09 0.00 0.00 178.44 179.89 3chw n VAL 51 N -5.18 0.10 -2.00 1.22 0.24 -0.93 -4.98 118.33 106.80 3chw n VAL 51 Ca 0.15 -0.55 -0.29 0.00 -2.04 0.00 0.00 64.34 61.61 3chw n VAL 51 Cb 0.50 1.29 0.19 0.00 -1.47 0.00 0.00 33.84 34.34 3chw n VAL 51 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3chw s GLY 52 N -1.46 1.80 0.24 7.63 0.00 -0.38 -5.00 107.32 110.14 3chw s GLY 52 Ca 0.23 -1.31 0.08 0.00 0.00 0.00 0.00 44.72 43.72 3chw s GLY 52 CO 0.23 -0.53 1.55 1.70 0.00 0.00 0.00 173.10 176.05 3chw h LYS 53 N -1.58 0.07 -6.33 2.90 3.64 -1.89 -3.41 116.57 109.96 3chw h LYS 53 Ca -0.43 -0.06 -0.56 0.00 -1.27 0.00 0.00 60.65 58.33 3chw h LYS 53 Cb 1.23 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.97 3chw h LYS 53 CO 0.36 0.71 0.94 0.34 -2.27 0.00 0.00 179.45 179.53 3chw s ASP 54 N -6.86 6.29 -0.33 4.20 -1.08 -1.26 -4.86 116.67 112.78 3chw s ASP 54 Ca -0.02 -0.26 0.08 0.00 -0.52 0.00 0.00 52.55 51.83 3chw s ASP 54 Cb 0.12 -2.54 0.52 0.00 -1.46 0.00 0.00 42.92 39.57 3chw s ASP 54 CO 0.78 -1.61 1.53 0.54 0.52 0.00 0.00 175.17 176.93 3chw n ARG 55 N 8.70 1.98 0.00 4.34 5.12 -1.26 -4.49 116.66 131.06 3chw n ARG 55 Ca 0.05 -3.23 0.00 0.00 -1.93 0.00 0.00 57.85 52.74 3chw n ARG 55 Cb 0.49 -1.90 0.00 0.00 -1.16 0.00 0.00 32.46 29.89 3chw n ARG 55 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 3chw n SER 56 N -1.11 2.25 -0.27 0.55 3.41 -1.26 -4.84 113.62 112.34 3chw n SER 56 Ca 0.38 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.98 3chw n SER 56 Cb 1.10 0.31 0.17 0.00 -0.26 0.00 0.00 64.21 65.54 3chw n SER 56 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3chw h SER 57 N 0.00 0.98 0.04 4.04 0.02 -1.99 -2.57 113.55 114.09 3chw h SER 57 Ca 0.00 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3chw h SER 57 Cb 0.28 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.57 3chw h SER 57 CO 0.00 0.75 0.00 2.22 -1.14 0.00 0.00 176.83 178.66 3chw n PHE 58 N -4.38 0.49 0.17 3.45 1.16 -1.26 -1.88 117.46 115.21 3chw n PHE 58 Ca 0.09 0.25 -0.12 0.00 -1.87 0.00 0.00 57.45 55.81 3chw n PHE 58 Cb 0.06 -0.90 -0.07 0.00 -1.61 0.00 0.00 39.48 36.96 3chw n PHE 58 CO 0.00 0.00 0.00 1.88 -1.87 0.00 0.00 176.76 176.77 3chw h TYR 59 N 0.00 -0.44 0.00 2.97 0.05 -1.74 -0.39 116.97 117.42 3chw h TYR 59 Ca 0.00 -0.01 -0.09 0.00 0.05 0.00 0.00 58.73 58.68 3chw h TYR 59 Cb 0.02 0.15 -0.01 0.00 1.01 0.00 0.00 36.73 37.90 3chw h TYR 59 CO 0.00 -0.11 -0.41 -0.39 -1.05 0.00 0.00 178.16 176.19 3chw h VAL 60 N -0.95 0.93 0.00 -2.88 -1.51 -1.72 -3.31 116.25 106.81 3chw h VAL 60 Ca -0.05 -1.65 0.00 0.00 -1.23 0.00 0.00 66.70 63.77 3chw h VAL 60 Cb 0.53 2.00 0.00 0.00 -2.13 0.00 0.00 31.29 31.69 3chw h VAL 60 CO 0.08 0.40 -1.36 0.59 -1.23 0.00 0.00 177.57 176.05 3chw n ASN 61 N -3.52 0.48 -0.61 4.19 5.03 -0.79 -5.08 115.26 114.97 3chw n ASN 61 Ca -0.00 -0.15 0.01 0.00 0.87 0.00 0.00 54.58 55.31 3chw n ASN 61 Cb 0.54 1.19 -0.00 0.00 -1.02 0.00 0.00 39.78 40.49 3chw n ASN 61 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3chw n GLY 62 N 1.32 -1.46 3.54 7.41 0.00 -0.16 -5.00 105.19 110.84 3chw n GLY 62 Ca -0.00 -1.18 -0.11 0.00 0.00 0.00 0.00 46.02 44.73 3chw n GLY 62 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3chw s LEU 63 N 0.00 0.55 0.19 0.99 0.05 -1.15 -4.48 118.68 114.84 3chw s LEU 63 Ca 0.00 -1.13 0.09 0.00 0.05 0.00 0.00 54.13 53.14 3chw s LEU 63 Cb 0.00 1.63 -0.04 0.00 -2.05 0.00 0.00 46.19 45.72 3chw s LEU 63 CO 0.00 -1.19 -0.18 0.42 -0.55 0.00 0.00 176.35 174.85 3chw s THR 64 N -3.68 1.94 -0.11 5.48 -4.23 -1.26 -1.93 115.64 111.85 3chw s THR 64 Ca 0.26 -2.05 -0.02 0.00 -1.18 0.00 0.00 61.69 58.70 3chw s THR 64 Cb -0.00 -1.97 0.04 0.00 1.34 0.00 0.00 72.50 71.91 3chw s THR 64 CO 0.12 -0.36 0.02 -0.76 -0.54 0.00 0.00 174.62 173.10 3chw s LEU 65 N -2.90 0.71 -1.32 4.79 1.43 -0.46 -4.79 118.68 116.14 3chw s LEU 65 Ca 0.19 -0.32 -0.04 0.00 -1.03 0.00 0.00 54.13 52.94 3chw s LEU 65 Cb -0.05 -0.46 0.02 0.00 0.03 0.00 0.00 46.19 45.74 3chw s LEU 65 CO 0.08 -0.24 0.28 0.61 0.23 0.00 0.00 176.35 177.31 3chw n GLY 66 N 5.14 -0.50 2.81 -3.19 0.00 -1.26 -0.89 105.19 107.30 3chw n GLY 66 Ca -0.07 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3chw n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3chw n GLY 67 N -1.10 2.88 3.67 -0.02 0.00 -1.26 -4.84 105.19 104.52 3chw n GLY 67 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 3chw n GLY 67 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3chw s GLN 68 N -0.24 4.27 0.08 1.61 2.00 -0.07 -4.98 119.66 122.33 3chw s GLN 68 Ca 0.00 1.62 -0.30 0.00 -2.00 0.00 0.00 55.36 54.68 3chw s GLN 68 Cb 0.00 -3.69 -0.06 0.00 0.80 0.00 0.00 33.01 30.06 3chw s GLN 68 CO 0.00 -0.62 1.16 0.15 -0.50 0.00 0.00 175.29 175.47 3chw s LYS 69 N 3.11 4.48 0.06 1.67 1.02 -1.26 -1.36 119.74 127.45 3chw s LYS 69 Ca 0.53 1.73 0.03 0.00 0.02 0.00 0.00 55.97 58.29 3chw s LYS 69 Cb -0.21 -3.34 -0.03 0.00 -0.52 0.00 0.00 37.83 33.73 3chw s LYS 69 CO 0.15 -0.16 -0.10 0.00 -0.92 0.00 0.00 175.35 174.32 3chw s SER 71 N -1.71 6.38 -0.15 0.00 0.01 0.19 -2.91 113.70 115.51 3chw s SER 71 Ca -0.06 0.46 -0.29 0.00 1.31 0.00 0.00 55.95 57.37 3chw s SER 71 Cb -0.09 -2.07 -0.00 0.00 0.21 0.00 0.00 66.02 64.06 3chw s SER 71 CO 0.01 0.39 1.02 -0.69 0.41 0.00 0.00 173.24 174.39 3chw s VAL 72 N -0.94 4.74 -0.18 3.43 1.01 -1.26 -1.26 120.40 125.93 3chw s VAL 72 Ca 0.15 2.03 -0.14 0.00 0.00 0.00 0.00 61.98 64.02 3chw s VAL 72 Cb -0.12 -4.31 -0.07 0.00 0.00 0.00 0.00 36.38 31.88 3chw s VAL 72 CO 0.04 -0.07 -0.22 -0.38 0.00 0.00 0.00 175.10 174.47 3chw n ILE 73 N 4.85 1.47 -4.63 2.22 5.41 -0.32 -4.97 119.36 123.40 3chw n ILE 73 Ca 0.10 0.09 -0.24 0.00 1.00 0.00 0.00 62.75 63.70 3chw n ILE 73 Cb 0.48 -2.28 -0.16 0.00 -0.71 0.00 0.00 39.64 36.97 3chw n ILE 73 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 3chw s ARG 74 N -2.54 1.48 -0.34 0.38 0.52 -1.14 -4.97 118.95 112.33 3chw s ARG 74 Ca -0.25 -0.46 0.01 0.00 -0.52 0.00 0.00 55.73 54.51 3chw s ARG 74 Cb 0.05 -1.29 0.09 0.00 0.52 0.00 0.00 34.95 34.31 3chw s ARG 74 CO 0.37 0.15 0.07 0.34 0.02 0.00 0.00 175.30 176.26 3chw s ASP 75 N 0.22 4.90 -0.05 0.23 2.15 -1.26 -1.50 116.67 121.36 3chw s ASP 75 Ca -0.06 -1.85 0.08 0.00 0.43 0.00 0.00 52.55 51.15 3chw s ASP 75 Cb -0.11 -1.70 0.12 0.00 -0.30 0.00 0.00 42.92 40.92 3chw s ASP 75 CO 0.02 -0.38 1.01 -1.20 -0.17 0.00 0.00 175.17 174.45 3chw n SER 76 N 4.45 1.11 -0.31 -0.34 7.64 0.69 -4.89 113.62 121.98 3chw n SER 76 Ca -0.04 -2.34 0.07 0.00 1.01 0.00 0.00 58.87 57.58 3chw n SER 76 Cb 0.42 -0.25 0.23 0.00 -1.01 0.00 0.00 64.21 63.60 3chw n SER 76 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3chw h LEU 77 N 0.00 0.60 -1.27 -3.43 5.85 -1.50 -1.11 115.31 114.46 3chw h LEU 77 Ca 0.00 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3chw h LEU 77 Cb 1.12 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.13 3chw h LEU 77 CO 0.00 0.26 0.00 0.18 -0.34 0.00 0.00 178.44 178.54 3chw n LEU 78 N -4.83 1.91 -4.79 2.25 4.77 -1.26 -4.19 117.00 110.87 3chw n LEU 78 Ca 0.18 -0.77 -0.38 0.00 -0.03 0.00 0.00 56.01 55.00 3chw n LEU 78 Cb 0.43 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.36 3chw n LEU 78 CO 0.22 0.39 0.24 -1.10 -1.33 0.00 0.00 177.39 175.80 3chw s GLN 79 N -1.80 4.21 0.33 3.23 1.11 -0.44 -4.96 119.66 121.34 3chw s GLN 79 Ca 0.34 0.64 -0.29 0.00 0.01 0.00 0.00 55.36 56.06 3chw s GLN 79 Cb 0.19 -3.30 -0.11 0.00 -1.01 0.00 0.00 33.01 28.79 3chw s GLN 79 CO 0.28 0.49 1.41 0.34 0.01 0.00 0.00 175.29 177.83 3chw s ASP 80 N -0.57 6.58 0.00 5.90 2.15 -1.26 -1.86 116.67 127.61 3chw s ASP 80 Ca 0.28 2.83 0.00 0.00 0.43 0.00 0.00 52.55 56.09 3chw s ASP 80 Cb -0.18 -2.65 0.00 0.00 -0.30 0.00 0.00 42.92 39.79 3chw s ASP 80 CO 0.16 -0.70 0.00 0.61 -0.17 0.00 0.00 175.17 175.07 3chw n GLY 81 N 0.99 2.56 0.25 2.66 0.00 -1.26 -4.72 105.19 105.67 3chw n GLY 81 Ca 0.02 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 3chw n GLY 81 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3chw n GLU 82 N 0.00 0.48 -3.89 1.61 1.02 -1.16 -5.01 120.64 113.69 3chw n GLU 82 Ca 0.00 0.20 -0.29 0.00 -0.02 0.00 0.00 57.16 57.05 3chw n GLU 82 Cb 0.00 -1.32 0.03 0.00 -0.02 0.00 0.00 31.44 30.13 3chw n GLU 82 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3chw n PHE 83 N -4.18 -2.26 -3.87 -0.32 3.72 -0.78 -4.94 117.46 104.82 3chw n PHE 83 Ca -0.30 0.90 -0.11 0.00 -0.05 0.00 0.00 57.45 57.89 3chw n PHE 83 Cb 0.65 -4.05 -0.10 0.00 -0.94 0.00 0.00 39.48 35.05 3chw n PHE 83 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3chw s SER 84 N -3.45 0.04 -0.04 4.37 1.04 -1.07 -1.42 113.70 113.16 3chw s SER 84 Ca 0.57 -0.25 0.03 0.00 0.48 0.00 0.00 55.95 56.78 3chw s SER 84 Cb -0.29 0.21 0.01 0.00 0.10 0.00 0.00 66.02 66.05 3chw s SER 84 CO 0.83 -0.40 -0.12 -0.32 0.98 0.00 0.00 173.24 174.21 3chw s MET 85 N -1.61 1.34 -0.10 4.02 1.75 -0.12 -0.22 119.30 124.36 3chw s MET 85 Ca -0.13 -0.40 -0.01 0.00 -1.25 0.00 0.00 55.69 53.90 3chw s MET 85 Cb -0.06 -1.18 -0.03 0.00 2.84 0.00 0.00 34.83 36.39 3chw s MET 85 CO 0.01 0.12 -0.05 -0.51 -0.65 0.00 0.00 175.02 173.93 3chw s ASP 86 N 0.31 4.76 0.09 1.11 1.11 -0.56 -1.27 116.67 122.21 3chw s ASP 86 Ca -0.06 -0.04 0.02 0.00 0.18 0.00 0.00 52.55 52.65 3chw s ASP 86 Cb -0.11 -1.42 -0.04 0.00 1.07 0.00 0.00 42.92 42.42 3chw s ASP 86 CO 0.02 0.30 -0.08 -0.76 1.18 0.00 0.00 175.17 175.83 3chw s LEU 87 N -0.43 2.43 -0.09 1.23 1.02 0.24 -1.18 118.68 121.91 3chw s LEU 87 Ca 0.07 -0.86 0.04 0.00 0.02 0.00 0.00 54.13 53.40 3chw s LEU 87 Cb -0.12 -0.14 0.00 0.00 0.02 0.00 0.00 46.19 45.95 3chw s LEU 87 CO 0.02 -0.36 -0.22 -0.60 0.02 0.00 0.00 176.35 175.21 3chw s ARG 88 N -3.09 2.74 0.80 1.70 6.06 -0.39 0.78 118.95 127.55 3chw s ARG 88 Ca 0.05 -0.81 -0.13 0.00 -2.50 0.00 0.00 55.73 52.35 3chw s ARG 88 Cb 0.00 -2.12 0.08 0.00 0.06 0.00 0.00 34.95 32.97 3chw s ARG 88 CO -0.03 0.19 1.19 0.95 -2.50 0.00 0.00 175.30 175.10 3chw s THR 89 N 0.31 2.23 0.05 4.11 -4.23 -0.51 0.54 115.64 118.14 3chw s THR 89 Ca -0.16 0.10 0.02 0.00 -1.18 0.00 0.00 61.69 60.47 3chw s THR 89 Cb -0.17 -2.48 -0.04 0.00 1.34 0.00 0.00 72.50 71.15 3chw s THR 89 CO 0.07 -0.07 0.07 -0.54 -0.54 0.00 0.00 174.62 173.60 3chw s LYS 90 N -4.22 2.89 0.25 3.99 1.02 0.41 -4.54 119.74 119.54 3chw s LYS 90 Ca 0.71 -0.65 0.01 0.00 0.02 0.00 0.00 55.97 56.07 3chw s LYS 90 Cb -0.27 -2.74 -0.04 0.00 -0.52 0.00 0.00 37.83 34.26 3chw s LYS 90 CO 0.51 0.59 0.14 -1.54 -0.92 0.00 0.00 175.35 174.13 3chw s SER 91 N -2.16 0.80 0.24 2.83 1.04 -1.26 -4.69 113.70 110.49 3chw s SER 91 Ca 0.27 -1.46 0.11 0.00 0.48 0.00 0.00 55.95 55.35 3chw s SER 91 Cb -0.12 0.35 -0.05 0.00 0.10 0.00 0.00 66.02 66.30 3chw s SER 91 CO 0.19 -0.85 -0.21 0.42 0.98 0.00 0.00 173.24 173.77 3chw s THR 92 N -3.89 2.36 -1.83 2.02 -4.23 -1.26 -4.83 115.64 103.97 3chw s THR 92 Ca 0.38 -2.24 0.00 0.00 -1.18 0.00 0.00 61.69 58.66 3chw s THR 92 Cb 0.06 -2.20 0.00 0.00 1.34 0.00 0.00 72.50 71.71 3chw s THR 92 CO 0.15 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 174.54 3chw n GLY 93 N -0.24 0.06 2.58 3.99 0.00 -1.26 -2.68 105.19 107.64 3chw n GLY 93 Ca -0.08 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3chw n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3chw n GLY 94 N -0.90 0.60 3.76 -0.02 0.00 -1.26 -5.02 105.19 102.36 3chw n GLY 94 Ca -0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 3chw n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3chw s ALA 95 N -2.56 3.15 0.28 4.61 0.00 -1.09 -4.94 121.76 121.21 3chw s ALA 95 Ca 0.00 1.37 -0.30 0.00 0.00 0.00 0.00 51.96 53.04 3chw s ALA 95 Cb 0.00 -3.56 -0.13 0.00 0.00 0.00 0.00 23.12 19.43 3chw s ALA 95 CO 0.00 -1.14 1.25 -2.30 0.00 0.00 0.00 175.76 173.57 3chw n PRO 96 N -0.32 1.82 -3.93 0.00 -0.02 -1.26 -4.73 135.00 126.56 3chw n PRO 96 Ca 0.06 0.64 -0.21 0.00 -2.02 0.00 0.00 63.50 61.97 3chw n PRO 96 Cb 0.43 -2.19 -0.03 0.00 -0.02 0.00 0.00 33.50 31.69 3chw n PRO 96 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3chw s THR 97 N -0.65 4.57 0.05 3.45 -4.23 -1.26 -4.87 115.64 112.69 3chw s THR 97 Ca 0.62 -1.19 0.02 0.00 -1.18 0.00 0.00 61.69 59.96 3chw s THR 97 Cb -0.65 -3.54 -0.03 0.00 1.34 0.00 0.00 72.50 69.62 3chw s THR 97 CO 0.57 -0.29 -0.08 -0.36 -0.54 0.00 0.00 174.62 173.91 3chw s PHE 98 N -2.11 0.70 0.17 3.99 0.08 -1.26 -4.70 117.98 114.85 3chw s PHE 98 Ca 0.36 -0.53 -0.18 0.00 0.12 0.00 0.00 56.93 56.70 3chw s PHE 98 Cb -0.08 -0.42 -0.07 0.00 -0.57 0.00 0.00 43.02 41.88 3chw s PHE 98 CO 0.27 -0.09 0.63 -0.80 -0.10 0.00 0.00 175.22 175.14 3chw s ASN 99 N -1.70 6.98 -0.01 1.36 -0.87 -1.26 -1.42 114.94 118.01 3chw s ASN 99 Ca -0.08 1.27 0.04 0.00 -1.57 0.00 0.00 52.86 52.51 3chw s ASN 99 Cb -0.09 -2.36 -0.01 0.00 -0.02 0.00 0.00 41.25 38.77 3chw s ASN 99 CO 0.00 0.10 -0.12 -0.69 -2.57 0.00 0.00 177.10 173.82 3chw s VAL 100 N -1.43 0.96 -0.09 1.60 1.01 0.23 -2.17 120.40 120.52 3chw s VAL 100 Ca 0.39 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.89 3chw s VAL 100 Cb -0.17 -0.80 -0.00 0.00 0.00 0.00 0.00 36.38 35.41 3chw s VAL 100 CO 0.20 0.27 -0.24 -0.89 0.00 0.00 0.00 175.10 174.45 3chw s THR 101 N -0.25 2.03 -0.18 3.92 2.01 -1.03 0.80 115.64 122.95 3chw s THR 101 Ca 0.04 -1.01 -0.07 0.00 0.31 0.00 0.00 61.69 60.96 3chw s THR 101 Cb -0.05 -1.75 -0.04 0.00 0.01 0.00 0.00 72.50 70.67 3chw s THR 101 CO -0.00 0.55 0.05 -0.69 -0.69 0.00 0.00 174.62 173.84 3chw s VAL 102 N 0.27 4.63 0.02 3.82 1.01 -0.40 -2.10 120.40 127.65 3chw s VAL 102 Ca -0.17 -0.09 0.06 0.00 0.00 0.00 0.00 61.98 61.79 3chw s VAL 102 Cb -0.17 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 3chw s VAL 102 CO 0.08 0.46 -0.17 0.42 0.00 0.00 0.00 175.10 175.89 3chw s THR 103 N 0.42 2.84 -0.10 3.92 -4.23 0.59 -0.94 115.64 118.12 3chw s THR 103 Ca 0.02 -1.10 0.01 0.00 -1.18 0.00 0.00 61.69 59.44 3chw s THR 103 Cb -0.13 -2.18 -0.02 0.00 1.34 0.00 0.00 72.50 71.51 3chw s THR 103 CO 0.01 0.38 -0.13 -0.75 -0.54 0.00 0.00 174.62 173.60 3chw s LYS 104 N -1.31 3.09 0.00 3.99 2.20 -0.51 -0.49 119.74 126.72 3chw s LYS 104 Ca 0.14 -0.67 0.00 0.00 -0.36 0.00 0.00 55.97 55.08 3chw s LYS 104 Cb -0.11 -2.57 0.00 0.00 -1.51 0.00 0.00 37.83 33.65 3chw s LYS 104 CO 0.04 0.37 0.00 0.25 -0.36 0.00 0.00 175.35 175.65 3chw n THR 105 N 3.08 0.00 -0.22 3.43 -2.24 0.24 -4.89 114.28 113.67 3chw n THR 105 Ca -0.18 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.55 3chw n THR 105 Cb 0.53 -0.22 0.04 0.00 -2.10 0.00 0.00 70.33 68.58 3chw n THR 105 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3chw h ASP 106 N 0.00 0.72 0.00 3.42 3.32 -1.88 -3.36 116.42 118.63 3chw h ASP 106 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3chw h ASP 106 Cb 0.00 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.37 3chw h ASP 106 CO 0.00 0.52 -0.94 0.29 -1.72 0.00 0.00 179.24 177.39 3chw n LYS 107 N -4.65 0.70 -4.42 3.56 5.02 0.13 -4.97 118.16 113.53 3chw n LYS 107 Ca 0.05 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.10 3chw n LYS 107 Cb 0.02 -0.97 -0.11 0.00 -0.02 0.00 0.00 35.03 33.95 3chw n LYS 107 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3chw s THR 108 N -1.90 2.24 -0.14 -0.18 -4.23 -1.21 -2.44 115.64 107.79 3chw s THR 108 Ca 0.00 -2.19 -0.05 0.00 -1.18 0.00 0.00 61.69 58.27 3chw s THR 108 Cb 0.00 -2.14 -0.04 0.00 1.34 0.00 0.00 72.50 71.66 3chw s THR 108 CO 0.00 -0.33 0.03 -0.76 -0.54 0.00 0.00 174.62 173.02 3chw s LEU 109 N -3.10 3.69 -0.19 4.79 1.43 0.24 -0.60 118.68 124.95 3chw s LEU 109 Ca 0.24 0.11 -0.06 0.00 -1.03 0.00 0.00 54.13 53.39 3chw s LEU 109 Cb -0.05 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 3chw s LEU 109 CO 0.11 0.27 0.02 -0.69 0.23 0.00 0.00 176.35 176.29 3chw s VAL 110 N -0.22 4.30 -0.08 -1.59 1.01 0.36 -1.15 120.40 123.03 3chw s VAL 110 Ca 0.07 -0.20 0.03 0.00 0.00 0.00 0.00 61.98 61.87 3chw s VAL 110 Cb -0.12 -2.93 0.01 0.00 0.00 0.00 0.00 36.38 33.33 3chw s VAL 110 CO 0.02 0.45 -0.17 -0.76 0.00 0.00 0.00 175.10 174.64 3chw s LEU 111 N 0.65 1.80 -0.02 3.92 1.02 -0.85 -0.30 118.68 124.90 3chw s LEU 111 Ca 0.01 -0.40 0.02 0.00 0.02 0.00 0.00 54.13 53.78 3chw s LEU 111 Cb -0.14 -1.06 -0.00 0.00 0.02 0.00 0.00 46.19 45.01 3chw s LEU 111 CO 0.02 0.07 -0.08 -0.76 0.02 0.00 0.00 176.35 175.62 3chw s LEU 112 N 0.62 1.88 -0.11 1.79 1.43 -0.89 -1.49 118.68 121.91 3chw s LEU 112 Ca -0.15 -0.16 0.02 0.00 -1.03 0.00 0.00 54.13 52.81 3chw s LEU 112 Cb -0.16 -0.47 0.01 0.00 0.03 0.00 0.00 46.19 45.60 3chw s LEU 112 CO 0.05 0.08 -0.17 -0.32 0.23 0.00 0.00 176.35 176.22 3chw s MET 113 N 0.03 2.35 0.46 1.70 1.75 -0.37 -2.46 119.30 122.76 3chw s MET 113 Ca -0.00 -0.62 -0.22 0.00 -1.25 0.00 0.00 55.69 53.60 3chw s MET 113 Cb -0.06 -1.94 -0.08 0.00 2.84 0.00 0.00 34.83 35.59 3chw s MET 113 CO -0.00 -0.02 1.09 0.20 -0.65 0.00 0.00 175.02 175.64 3chw s GLY 114 N 0.84 2.67 1.14 2.11 0.00 -0.92 -1.14 107.32 112.03 3chw s GLY 114 Ca -0.09 0.75 -0.14 0.00 0.00 0.00 0.00 44.72 45.24 3chw s GLY 114 CO 0.00 1.15 1.05 0.54 0.00 0.00 0.00 173.10 175.84 3chw s LYS 115 N -2.87 -0.73 0.27 2.90 1.02 -0.47 -4.52 119.74 115.34 3chw s LYS 115 Ca 0.64 0.50 -0.30 0.00 0.02 0.00 0.00 55.97 56.83 3chw s LYS 115 Cb -0.22 -1.60 -0.11 0.00 -0.52 0.00 0.00 37.83 35.37 3chw s LYS 115 CO 0.27 -3.51 1.56 -2.00 -0.92 0.00 0.00 175.35 170.76 3chw s GLU 116 N -4.83 4.17 0.00 1.68 2.12 -1.26 -2.15 118.70 118.43 3chw s GLU 116 Ca 0.68 2.50 0.00 0.00 0.36 0.00 0.00 54.97 58.50 3chw s GLU 116 Cb -0.20 -3.06 0.00 0.00 0.26 0.00 0.00 34.13 31.14 3chw s GLU 116 CO 0.60 -0.59 0.00 0.41 -0.54 0.00 0.00 175.26 175.15 3chw n GLY 117 N 2.44 0.30 3.68 -1.50 0.00 -1.26 -5.00 105.19 103.84 3chw n GLY 117 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3chw n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3chw s VAL 118 N -1.65 4.82 0.29 1.61 1.01 -0.91 -5.01 120.40 120.56 3chw s VAL 118 Ca 0.00 1.89 -0.29 0.00 0.00 0.00 0.00 61.98 63.57 3chw s VAL 118 Cb 0.00 -4.25 -0.11 0.00 0.00 0.00 0.00 36.38 32.03 3chw s VAL 118 CO 0.00 0.02 1.46 -2.28 0.00 0.00 0.00 175.10 174.30 3chw s HIS 119 N 2.02 2.89 0.47 5.22 2.46 -1.26 -4.66 115.29 122.44 3chw s HIS 119 Ca 0.45 1.07 0.26 0.00 0.47 0.00 0.00 55.06 57.31 3chw s HIS 119 Cb -0.18 -3.88 1.30 0.00 -0.13 0.00 0.00 32.58 29.69 3chw s HIS 119 CO 0.16 -2.77 1.81 0.78 -2.47 0.00 0.00 174.74 172.24 3chw h GLY 120 N 4.35 0.62 0.64 1.59 0.00 -1.95 -1.72 103.07 106.60 3chw h GLY 120 Ca -0.48 -0.11 0.06 0.00 0.00 0.00 0.00 47.33 46.81 3chw h GLY 120 CO 0.74 -0.06 0.33 -1.33 0.00 0.00 0.00 176.54 176.21 3chw h GLY 121 N 0.21 0.93 1.42 4.60 0.00 -1.98 -0.04 103.07 108.20 3chw h GLY 121 Ca 0.55 -0.22 -0.10 0.00 0.00 0.00 0.00 47.33 47.55 3chw h GLY 121 CO -0.15 0.12 -0.20 1.41 0.00 0.00 0.00 176.54 177.72 3chw h LEU 122 N 0.61 0.68 -0.20 3.11 3.38 -1.69 -2.51 115.31 118.69 3chw h LEU 122 Ca 0.29 -0.23 -0.22 0.00 0.09 0.00 0.00 57.88 57.82 3chw h LEU 122 Cb 0.22 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.79 3chw h LEU 122 CO -0.20 0.88 -0.76 0.40 0.09 0.00 0.00 178.44 178.85 3chw h ILE 123 N 0.60 1.29 0.08 1.22 2.04 -1.39 -2.70 117.51 118.64 3chw h ILE 123 Ca 0.09 -1.98 -0.00 0.00 1.00 0.00 0.00 64.86 63.97 3chw h ILE 123 Cb 0.67 1.98 0.00 0.00 -0.74 0.00 0.00 36.82 38.73 3chw h ILE 123 CO 0.05 0.63 -0.04 -1.13 0.00 0.00 0.00 178.15 177.66 3chw h ASN 124 N 0.52 -0.09 -0.83 1.72 -0.73 -0.96 -1.45 115.58 113.77 3chw h ASN 124 Ca -0.05 -0.30 0.13 0.00 1.87 0.00 0.00 56.30 57.95 3chw h ASN 124 Cb 1.38 0.02 -0.09 0.00 0.27 0.00 0.00 38.32 39.91 3chw h ASN 124 CO 0.15 0.26 0.43 0.50 -0.37 0.00 0.00 177.43 178.41 3chw h LYS 125 N -0.44 0.63 -0.01 6.67 3.11 -1.53 0.06 116.57 125.06 3chw h LYS 125 Ca -0.01 -0.04 -0.00 0.00 -2.81 0.00 0.00 60.65 57.79 3chw h LYS 125 Cb 0.38 -0.14 -0.00 0.00 -1.00 0.00 0.00 32.23 31.47 3chw h LYS 125 CO 0.02 0.42 -0.00 -0.22 -2.81 0.00 0.00 179.45 176.86 3chw h LYS 126 N 0.65 0.01 -0.03 1.90 3.64 -1.37 -1.78 116.57 119.61 3chw h LYS 126 Ca 0.43 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.75 3chw h LYS 126 Cb 0.56 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 3chw h LYS 126 CO -0.33 0.38 -0.25 0.00 -2.27 0.00 0.00 179.45 176.98 3chw h TYR 128 N 0.04 1.07 -0.31 0.00 3.20 -0.89 -2.21 116.97 117.87 3chw h TYR 128 Ca 0.01 -0.45 -0.09 0.00 3.14 0.00 0.00 58.73 61.33 3chw h TYR 128 Cb 0.46 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 3chw h TYR 128 CO 0.00 1.29 -0.20 0.93 -1.64 0.00 0.00 178.16 178.54 3chw h GLU 129 N 0.57 0.58 -0.18 1.82 4.39 -1.19 -2.12 114.58 118.44 3chw h GLU 129 Ca -0.04 -0.20 -0.21 0.00 0.34 0.00 0.00 59.36 59.25 3chw h GLU 129 Cb 1.35 -0.04 0.01 0.00 -0.10 0.00 0.00 28.75 29.97 3chw h GLU 129 CO 0.15 0.74 -0.71 1.98 -1.16 0.00 0.00 179.01 180.01 3chw h MET 130 N 0.52 0.77 -0.44 2.33 4.05 -1.54 -2.02 114.93 118.60 3chw h MET 130 Ca 0.08 -0.59 -0.04 0.00 -0.28 0.00 0.00 59.70 58.88 3chw h MET 130 Cb 0.63 0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.51 3chw h MET 130 CO 0.04 1.20 0.12 0.00 0.23 0.00 0.00 176.91 178.51 3chw h ALA 131 N 0.64 1.39 -0.33 0.39 0.00 -1.19 -2.42 119.26 117.75 3chw h ALA 131 Ca -0.03 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 3chw h ALA 131 Cb 1.33 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 3chw h ALA 131 CO 0.15 0.45 -0.32 1.03 0.00 0.00 0.00 179.25 180.55 3chw h SER 132 N 0.64 0.85 0.03 0.00 0.87 -1.29 -0.79 113.55 113.86 3chw h SER 132 Ca 0.15 -0.47 -0.11 0.00 -1.23 0.00 0.00 61.79 60.13 3chw h SER 132 Cb 0.22 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 3chw h SER 132 CO -0.01 1.14 -0.35 -0.74 -0.53 0.00 0.00 176.83 176.34 3chw h HIS 133 N 0.57 0.52 -0.06 2.24 6.17 -1.22 -2.54 115.15 120.83 3chw h HIS 133 Ca 0.05 -0.13 -0.23 0.00 0.71 0.00 0.00 60.37 60.77 3chw h HIS 133 Cb 0.90 -0.12 0.01 0.00 2.52 0.00 0.00 27.41 30.72 3chw h HIS 133 CO 0.07 0.74 -0.87 -0.07 0.71 0.00 0.00 177.93 178.51 3chw h LEU 134 N 0.38 0.74 -1.25 0.26 3.38 -0.93 -2.90 115.31 114.99 3chw h LEU 134 Ca 0.04 -0.54 -0.04 0.00 0.09 0.00 0.00 57.88 57.43 3chw h LEU 134 Cb 0.80 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 3chw h LEU 134 CO 0.06 1.32 0.05 0.03 0.09 0.00 0.00 178.44 180.00 3chw h ARG 135 N 0.37 0.56 0.00 1.13 3.08 -1.12 0.49 114.38 118.89 3chw h ARG 135 Ca -0.07 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.87 3chw h ARG 135 Cb 1.50 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.46 3chw h ARG 135 CO 0.16 0.55 0.00 0.54 -1.07 0.00 0.00 179.97 180.16 3chw n ARG 136 N -4.30 0.19 -0.25 0.04 1.74 -0.96 -1.93 116.66 111.19 3chw n ARG 136 Ca 0.02 0.33 0.10 0.00 -0.77 0.00 0.00 57.85 57.53 3chw n ARG 136 Cb 0.22 -1.80 0.23 0.00 -1.02 0.00 0.00 32.46 30.08 3chw n ARG 136 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3chw n SER 137 N -2.15 3.40 -3.68 0.55 7.64 -0.62 -4.94 113.62 113.82 3chw n SER 137 Ca 0.03 -1.96 -0.25 0.00 1.01 0.00 0.00 58.87 57.70 3chw n SER 137 Cb 0.28 -0.32 0.06 0.00 -1.01 0.00 0.00 64.21 63.22 3chw n SER 137 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3chw n GLN 138 N 1.21 -7.09 0.00 1.43 1.13 -0.81 -5.07 117.38 108.18 3chw n GLN 138 Ca 0.18 0.76 0.06 0.00 -1.94 0.00 0.00 57.00 56.05 3chw n GLN 138 Cb 0.54 -5.75 0.05 0.00 0.11 0.00 0.00 30.24 25.19 3chw n GLN 138 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28