#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hwp s ASN 5 N 0.00 6.62 0.00 0.55 3.84 -1.26 -5.08 114.94 119.61 3hwp s ASN 5 Ca 0.00 1.28 0.00 0.00 0.21 0.00 0.00 52.86 54.35 3hwp s ASN 5 Cb 0.00 -2.38 0.00 0.00 -0.55 0.00 0.00 41.25 38.32 3hwp s ASN 5 CO 0.00 -0.40 0.00 1.07 -2.79 0.00 0.00 177.10 174.98 3hwp n THR 7 N -1.13 0.00 -2.41 -5.21 5.66 0.38 -1.71 114.28 109.86 3hwp n THR 7 Ca 0.04 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.63 3hwp n THR 7 Cb 0.54 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.28 3hwp n THR 7 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 175.07 169.18 3hwp s PRO 8 N -1.13 4.53 0.31 1.09 0.02 -1.26 -0.75 135.00 137.81 3hwp s PRO 8 Ca 0.00 1.84 -0.29 0.00 0.02 0.00 0.00 61.00 62.57 3hwp s PRO 8 Cb 0.00 -3.24 -0.10 0.00 0.02 0.00 0.00 34.50 31.18 3hwp s PRO 8 CO 0.00 -0.02 1.36 0.12 -0.33 0.00 0.00 177.00 178.13 3hwp s PHE 9 N -0.26 2.99 -0.36 6.54 5.36 -1.26 -4.91 117.98 126.08 3hwp s PHE 9 Ca 0.51 1.29 0.09 0.00 -0.96 0.00 0.00 56.93 57.86 3hwp s PHE 9 Cb -0.32 -3.75 -0.11 0.00 -0.34 0.00 0.00 43.02 38.49 3hwp s PHE 9 CO 0.37 -2.19 0.36 0.25 -1.46 0.00 0.00 175.22 172.56 3hwp n THR 10 N 1.16 0.00 -5.08 0.12 -2.24 -1.26 -4.98 114.28 102.00 3hwp n THR 10 Ca 0.02 -0.27 -0.29 0.00 -2.27 0.00 0.00 64.05 61.24 3hwp n THR 10 Cb 0.41 0.86 -0.16 0.00 -2.10 0.00 0.00 70.33 69.34 3hwp n THR 10 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3hwp s TYR 11 N -2.04 2.11 -0.06 4.78 5.04 -1.26 -5.11 117.35 120.80 3hwp s TYR 11 Ca 0.02 -0.61 -0.02 0.00 -2.44 0.00 0.00 57.07 54.02 3hwp s TYR 11 Cb 0.07 -1.40 0.04 0.00 0.35 0.00 0.00 41.96 41.02 3hwp s TYR 11 CO 0.39 -0.19 0.12 -0.06 -1.34 0.00 0.00 175.55 174.47 3hwp s PHE 12 N -0.10 -0.10 0.86 4.97 0.08 -1.26 -5.15 117.98 117.28 3hwp s PHE 12 Ca -0.03 0.45 -0.13 0.00 0.12 0.00 0.00 56.93 57.34 3hwp s PHE 12 Cb -0.13 -0.25 0.06 0.00 -0.57 0.00 0.00 43.02 42.13 3hwp s PHE 12 CO 0.03 -0.20 0.85 -1.13 -0.10 0.00 0.00 175.22 174.67 3hwp n SER 13 N 4.87 -0.37 -0.15 1.36 3.41 -1.26 -4.53 113.62 116.96 3hwp n SER 13 Ca -0.13 0.48 -0.03 0.00 -0.26 0.00 0.00 58.87 58.93 3hwp n SER 13 Cb 0.50 -1.37 0.05 0.00 -0.26 0.00 0.00 64.21 63.13 3hwp n SER 13 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3hwp h LEU 14 N -1.21 -0.24 -1.97 1.04 5.85 -1.99 -0.59 115.31 116.19 3hwp h LEU 14 Ca -0.45 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.39 3hwp h LEU 14 Cb 1.30 0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.54 3hwp h LEU 14 CO 0.41 -0.08 0.00 -2.65 -0.34 0.00 0.00 178.44 175.78 3hwp n PRO 15 N -5.24 0.05 0.00 5.25 -0.02 -1.26 -1.71 135.00 132.07 3hwp n PRO 15 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 3hwp n PRO 15 Cb 0.25 -1.46 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 3hwp n PRO 15 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3hwp n GLN 17 N 0.96 0.00 -0.17 -0.52 6.02 -0.23 -1.21 117.38 122.23 3hwp n GLN 17 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.90 3hwp n GLN 17 Cb 0.02 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.29 3hwp n GLN 17 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 3hwp h LYS 18 N 0.00 0.77 -0.70 -1.09 1.57 -1.60 -2.53 116.57 112.99 3hwp h LYS 18 Ca 0.00 -0.19 0.03 0.00 -1.87 0.00 0.00 60.65 58.62 3hwp h LYS 18 Cb 0.00 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.17 3hwp h LYS 18 CO 0.00 0.76 0.46 1.25 -0.57 0.00 0.00 179.45 181.36 3hwp h LEU 19 N 0.65 0.74 -0.29 2.94 5.85 -1.43 -2.22 115.31 121.55 3hwp h LEU 19 Ca 0.15 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.88 3hwp h LEU 19 Cb 0.34 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 3hwp h LEU 19 CO 0.00 0.51 0.14 0.15 -0.34 0.00 0.00 178.44 178.91 3hwp h PHE 20 N 0.86 0.26 -0.88 1.25 3.57 -1.60 0.67 116.94 121.07 3hwp h PHE 20 Ca 0.28 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.78 3hwp h PHE 20 Cb 0.04 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.66 3hwp h PHE 20 CO -0.00 0.14 0.49 -0.07 -2.23 0.00 0.00 178.31 176.64 3hwp h LEU 21 N 0.30 1.09 -0.27 0.59 3.38 -1.16 0.23 115.31 119.48 3hwp h LEU 21 Ca 0.12 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3hwp h LEU 21 Cb 0.04 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3hwp h LEU 21 CO -0.09 0.87 0.02 0.03 0.09 0.00 0.00 178.44 179.37 3hwp h ARG 22 N 1.23 0.45 -0.45 1.13 3.08 -0.95 -2.38 114.38 116.49 3hwp h ARG 22 Ca 0.31 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 60.17 3hwp h ARG 22 Cb 0.01 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 3hwp h ARG 22 CO -0.05 0.59 0.03 -0.91 -1.07 0.00 0.00 179.97 178.57 3hwp h ASN 23 N 0.25 0.67 -0.82 7.04 2.35 -0.52 -1.81 115.58 122.75 3hwp h ASN 23 Ca 0.08 -0.14 -0.04 0.00 -0.55 0.00 0.00 56.30 55.65 3hwp h ASN 23 Cb 0.37 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.53 3hwp h ASN 23 CO 0.01 0.72 0.36 -0.61 -1.65 0.00 0.00 177.43 176.26 3hwp h GLN 24 N 0.68 1.20 -0.29 0.81 4.15 -0.47 -1.00 115.11 120.19 3hwp h GLN 24 Ca 0.14 -0.20 -0.06 0.00 0.77 0.00 0.00 58.65 59.30 3hwp h GLN 24 Cb 0.37 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 3hwp h GLN 24 CO 0.01 0.95 -0.07 0.00 -1.93 0.00 0.00 178.83 177.79 3hwp h ALA 25 N 1.19 0.39 -0.66 3.38 0.00 -1.10 -3.10 119.26 119.36 3hwp h ALA 25 Ca 0.28 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3hwp h ALA 25 Cb 0.17 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3hwp h ALA 25 CO -0.03 0.21 0.28 0.00 0.00 0.00 0.00 179.25 179.72 3hwp h ALA 26 N 0.78 1.26 0.00 0.00 0.00 -1.03 -3.04 119.26 117.23 3hwp h ALA 26 Ca 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3hwp h ALA 26 Cb 0.55 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3hwp h ALA 26 CO 0.03 0.55 -0.36 1.55 0.00 0.00 0.00 179.25 181.02 3hwp n VAL 27 N -4.32 0.30 -0.30 0.00 3.14 -0.41 -4.45 118.33 112.29 3hwp n VAL 27 Ca 0.06 -0.19 0.11 0.00 -2.96 0.00 0.00 64.34 61.36 3hwp n VAL 27 Cb 0.16 -0.23 0.25 0.00 -1.06 0.00 0.00 33.84 32.96 3hwp n VAL 27 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 3hwp h ARG 28 N 0.00 0.09 -0.52 1.45 2.43 -1.45 -0.88 114.38 115.49 3hwp h ARG 28 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3hwp h ARG 28 Cb 0.66 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 3hwp h ARG 28 CO 0.00 0.06 0.00 0.09 -1.51 0.00 0.00 179.97 178.61 3hwp n ASN 29 N -5.37 5.42 -4.86 -3.80 5.03 -1.26 -4.83 115.26 105.59 3hwp n ASN 29 Ca 0.20 -2.95 -0.31 0.00 0.87 0.00 0.00 54.58 52.39 3hwp n ASN 29 Cb 0.65 -0.66 -0.04 0.00 -1.02 0.00 0.00 39.78 38.71 3hwp n ASN 29 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3hwp s LYS 30 N -2.77 3.92 0.54 3.52 -0.14 -0.34 -4.97 119.74 119.49 3hwp s LYS 30 Ca 0.53 0.69 0.23 0.00 -1.36 0.00 0.00 55.97 56.05 3hwp s LYS 30 Cb 0.40 -2.32 1.49 0.00 -1.68 0.00 0.00 37.83 35.72 3hwp s LYS 30 CO 0.15 -0.04 2.17 -1.35 -0.76 0.00 0.00 175.35 175.52 3hwp h PRO 31 N 1.50 0.00 -0.43 -1.68 0.11 -1.92 -2.63 132.00 126.93 3hwp h PRO 31 Ca -0.47 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 3hwp h PRO 31 Cb 1.18 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 3hwp h PRO 31 CO 0.63 0.03 0.04 2.48 -0.21 0.00 0.00 178.00 180.98 3hwp n TYR 32 N -4.14 1.53 -0.09 0.65 0.18 -1.26 -4.64 117.16 109.38 3hwp n TYR 32 Ca -0.03 -0.96 0.12 0.00 1.88 0.00 0.00 57.90 58.92 3hwp n TYR 32 Cb 0.12 -0.45 0.50 0.00 -0.38 0.00 0.00 39.34 39.13 3hwp n TYR 32 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3hwp h ALA 33 N 2.46 2.02 0.00 -3.48 0.00 -1.69 -0.75 119.26 117.82 3hwp h ALA 33 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3hwp h ALA 33 Cb 1.77 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.47 3hwp h ALA 33 CO 0.40 -0.16 0.00 0.36 0.00 0.00 0.00 179.25 179.85 3hwp n LYS 34 N -4.47 0.17 0.00 0.00 2.85 -1.26 -0.97 118.16 114.47 3hwp n LYS 34 Ca 0.10 0.57 0.13 0.00 -1.05 0.00 0.00 58.31 58.06 3hwp n LYS 34 Cb 0.38 -1.95 0.37 0.00 -0.65 0.00 0.00 35.03 33.17 3hwp n LYS 34 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3hwp n TYR 35 N -2.29 0.00 -2.71 5.58 4.01 -0.29 -4.77 117.16 116.69 3hwp n TYR 35 Ca -0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.31 3hwp n TYR 35 Cb 0.10 -0.21 -0.03 0.00 -0.31 0.00 0.00 39.34 38.89 3hwp n TYR 35 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 3hwp s PHE 36 N -2.75 2.93 0.01 -0.72 5.36 -0.15 -4.92 117.98 117.74 3hwp s PHE 36 Ca 0.18 0.67 0.05 0.00 -0.96 0.00 0.00 56.93 56.87 3hwp s PHE 36 Cb 0.19 -4.06 -0.01 0.00 -0.34 0.00 0.00 43.02 38.79 3hwp s PHE 36 CO 0.59 -1.08 -0.14 1.03 -1.46 0.00 0.00 175.22 174.16 3hwp s ARG 37 N 3.96 1.08 0.18 10.12 0.52 -1.26 -5.05 118.95 128.50 3hwp s ARG 37 Ca 0.42 -0.59 0.17 0.00 -0.52 0.00 0.00 55.73 55.21 3hwp s ARG 37 Cb -0.09 -1.07 -0.02 0.00 0.52 0.00 0.00 34.95 34.29 3hwp s ARG 37 CO 0.26 0.28 1.12 0.66 0.02 0.00 0.00 175.30 177.64 3hwp h SER 38 N 5.51 0.00 -4.32 0.23 4.64 -2.00 -3.45 113.55 114.16 3hwp h SER 38 Ca -0.36 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 60.69 3hwp h SER 38 Cb 1.17 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 63.32 3hwp h SER 38 CO 0.47 0.45 0.11 1.21 -0.87 0.00 0.00 176.83 178.20 3hwp n GLU 39 N -3.00 -0.03 -3.64 4.77 2.13 -1.26 -5.07 120.64 114.55 3hwp n GLU 39 Ca -0.03 -1.56 -0.09 0.00 0.66 0.00 0.00 57.16 56.13 3hwp n GLU 39 Cb 0.75 -0.49 -0.07 0.00 0.27 0.00 0.00 31.44 31.90 3hwp n GLU 39 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3hwp s ARG 41 N -4.18 0.50 0.17 5.31 0.52 -1.26 -5.04 118.95 114.96 3hwp s ARG 41 Ca 0.41 0.58 0.05 0.00 -0.52 0.00 0.00 55.73 56.25 3hwp s ARG 41 Cb -0.02 0.25 -0.05 0.00 0.52 0.00 0.00 34.95 35.65 3hwp s ARG 41 CO 0.28 -0.06 -0.09 0.14 0.02 0.00 0.00 175.30 175.58 3hwp s VAL 42 N 0.18 1.20 0.14 3.52 -7.23 0.07 -4.40 120.40 113.88 3hwp s VAL 42 Ca 0.03 -2.07 -0.31 0.00 -1.81 0.00 0.00 61.98 57.82 3hwp s VAL 42 Cb -0.05 -1.95 -0.08 0.00 0.56 0.00 0.00 36.38 34.86 3hwp s VAL 42 CO -0.06 -0.66 1.41 -2.84 -0.31 0.00 0.00 175.10 172.63 3hwp s PRO 43 N -3.76 4.31 0.20 4.82 0.02 -1.26 -0.47 135.00 138.86 3hwp s PRO 43 Ca 0.19 2.12 -0.11 0.00 0.02 0.00 0.00 61.00 63.22 3hwp s PRO 43 Cb 0.03 -3.22 0.20 0.00 0.02 0.00 0.00 34.50 31.53 3hwp s PRO 43 CO 0.02 -0.44 1.79 1.25 -0.33 0.00 0.00 177.00 179.29 3hwp h LEU 44 N 6.55 0.41 -0.18 -5.54 5.85 -1.67 -1.23 115.31 119.50 3hwp h LEU 44 Ca -0.43 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.37 3hwp h LEU 44 Cb 1.21 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.17 3hwp h LEU 44 CO 0.86 0.27 -0.05 0.77 -0.34 0.00 0.00 178.44 179.94 3hwp h SER 45 N 0.55 -0.19 -0.33 1.25 4.64 -1.91 -1.66 113.55 115.91 3hwp h SER 45 Ca 0.27 0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.64 3hwp h SER 45 Cb 0.20 0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 3hwp h SER 45 CO -0.19 -0.07 0.16 0.00 -0.87 0.00 0.00 176.83 175.85 3hwp h ALA 46 N 1.17 0.42 -0.53 5.18 0.00 -1.79 -2.70 119.26 121.01 3hwp h ALA 46 Ca 0.09 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3hwp h ALA 46 Cb 0.15 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3hwp h ALA 46 CO -0.20 -0.03 -0.10 -0.24 0.00 0.00 0.00 179.25 178.69 3hwp h VAL 47 N 0.39 1.27 -0.75 0.00 3.04 -1.15 -2.70 116.25 116.34 3hwp h VAL 47 Ca 0.11 -1.24 0.08 0.00 -1.01 0.00 0.00 66.70 64.65 3hwp h VAL 47 Cb 0.11 0.96 -0.05 0.00 -2.01 0.00 0.00 31.29 30.30 3hwp h VAL 47 CO -0.01 0.44 0.49 0.03 -1.01 0.00 0.00 177.57 177.51 3hwp h ARG 48 N 0.88 0.71 0.00 4.17 3.08 -1.13 -2.17 114.38 119.91 3hwp h ARG 48 Ca 0.14 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3hwp h ARG 48 Cb 0.65 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3hwp h ARG 48 CO 0.04 0.47 0.00 0.87 -1.07 0.00 0.00 179.97 180.28 3hwp h LYS 49 N 0.73 0.00 -0.52 0.04 6.56 -1.15 -2.80 116.57 119.43 3hwp h LYS 49 Ca 0.34 0.00 -0.28 0.00 -1.06 0.00 0.00 60.65 59.65 3hwp h LYS 49 Cb 0.37 0.00 -0.17 0.00 -0.57 0.00 0.00 32.23 31.86 3hwp h LYS 49 CO -0.12 0.00 0.06 0.44 -2.06 0.00 0.00 179.45 177.77 3hwp n ILE 50 N -2.88 2.73 0.35 1.86 -5.35 -0.82 -4.45 119.36 110.80 3hwp n ILE 50 Ca 0.01 -2.68 0.04 0.00 -0.27 0.00 0.00 62.75 59.85 3hwp n ILE 50 Cb 0.27 -0.41 0.00 0.00 -1.74 0.00 0.00 39.64 37.75 3hwp n ILE 50 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3hwp n GLN 51 N -1.11 2.13 -2.50 6.28 6.02 -1.05 -4.73 117.38 122.42 3hwp n GLN 51 Ca 0.40 -0.55 -0.23 0.00 -0.01 0.00 0.00 57.00 56.61 3hwp n GLN 51 Cb 1.15 -1.02 0.01 0.00 1.02 0.00 0.00 30.24 31.39 3hwp n GLN 51 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3hwp n GLN 52 N -0.26 2.92 0.00 -1.09 6.02 -1.26 -5.09 117.38 118.61 3hwp n GLN 52 Ca 0.03 -4.20 0.00 0.00 -0.01 0.00 0.00 57.00 52.82 3hwp n GLN 52 Cb 0.17 -2.02 0.00 0.00 1.02 0.00 0.00 30.24 29.40 3hwp n GLN 52 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hwp n GLY 53 N -0.40 -0.40 0.00 1.08 0.00 -1.26 -5.15 105.19 99.06 3hwp n GLY 53 Ca 0.32 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.59 3hwp n GLY 53 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hwp n PRO 54 N -0.39 0.87 -3.73 1.61 -0.04 -1.26 -4.86 135.00 127.19 3hwp n PRO 54 Ca 0.00 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.10 3hwp n PRO 54 Cb 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.39 3hwp n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hwp s ALA 56 N -2.62 3.74 0.43 0.55 0.00 -1.26 -4.98 121.76 117.61 3hwp s ALA 56 Ca 0.00 -0.61 0.23 0.00 0.00 0.00 0.00 51.96 51.58 3hwp s ALA 56 Cb 0.00 -2.15 1.22 0.00 0.00 0.00 0.00 23.12 22.19 3hwp s ALA 56 CO 0.00 0.32 1.76 -0.07 0.00 0.00 0.00 175.76 177.77 3hwp h LEU 57 N 6.00 0.34 -2.16 0.00 3.38 -1.98 0.32 115.31 121.21 3hwp h LEU 57 Ca -0.46 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3hwp h LEU 57 Cb 1.18 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3hwp h LEU 57 CO 0.69 0.04 0.00 -0.33 0.09 0.00 0.00 178.44 178.93 3hwp h GLU 58 N 0.29 0.00 -0.05 1.13 3.07 -2.03 -2.14 114.58 114.84 3hwp h GLU 58 Ca 0.61 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.47 3hwp h GLU 58 Cb 1.75 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.66 3hwp h GLU 58 CO -0.25 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.11 3hwp n ASP 59 N -2.92 2.79 -4.82 1.42 8.00 0.10 -4.99 116.55 116.13 3hwp n ASP 59 Ca -0.01 -1.88 -0.24 0.00 0.71 0.00 0.00 54.79 53.37 3hwp n ASP 59 Cb 0.15 -0.02 0.08 0.00 -0.02 0.00 0.00 41.12 41.31 3hwp n ASP 59 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3hwp s THR 60 N -1.72 2.34 0.10 -3.53 -4.23 -0.81 -5.04 115.64 102.76 3hwp s THR 60 Ca 0.25 -0.45 0.07 0.00 -1.18 0.00 0.00 61.69 60.39 3hwp s THR 60 Cb 0.18 -2.89 -0.03 0.00 1.34 0.00 0.00 72.50 71.10 3hwp s THR 60 CO 0.26 0.00 -0.18 -0.76 -0.54 0.00 0.00 174.62 173.40 3hwp s LEU 61 N -5.12 2.32 0.51 4.79 1.43 -1.26 -5.08 118.68 116.27 3hwp s LEU 61 Ca 0.62 -0.70 0.09 0.00 -1.03 0.00 0.00 54.13 53.10 3hwp s LEU 61 Cb -0.09 -0.74 0.05 0.00 0.03 0.00 0.00 46.19 45.44 3hwp s LEU 61 CO 0.43 -0.01 0.66 0.42 0.23 0.00 0.00 176.35 178.08 3hwp s THR 62 N -1.40 2.39 -2.00 5.49 -4.23 -1.26 -5.00 115.64 109.64 3hwp s THR 62 Ca 0.05 -1.07 0.08 0.00 -1.18 0.00 0.00 61.69 59.57 3hwp s THR 62 Cb -0.09 -2.46 0.23 0.00 1.34 0.00 0.00 72.50 71.52 3hwp s THR 62 CO 0.04 0.00 1.13 -2.65 -0.54 0.00 0.00 174.62 172.60 3hwp n PRO 63 N -2.03 0.79 -0.95 3.99 -0.02 -1.26 -4.29 135.00 131.24 3hwp n PRO 63 Ca 0.11 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.27 3hwp n PRO 63 Cb 0.61 -1.16 0.14 0.00 -0.02 0.00 0.00 33.50 33.07 3hwp n PRO 63 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3hwp s SER 64 N -1.47 3.45 0.16 2.55 1.04 -1.26 -4.72 113.70 113.45 3hwp s SER 64 Ca 0.12 2.17 -0.16 0.00 0.48 0.00 0.00 55.95 58.57 3hwp s SER 64 Cb 0.06 -2.57 0.09 0.00 0.10 0.00 0.00 66.02 63.70 3hwp s SER 64 CO 0.09 -2.75 1.74 0.40 0.98 0.00 0.00 173.24 173.70 3hwp h ILE 65 N -1.41 0.85 -0.57 -1.02 1.08 -1.91 -1.31 117.51 113.23 3hwp h ILE 65 Ca -0.44 -0.09 0.07 0.00 -0.39 0.00 0.00 64.86 64.01 3hwp h ILE 65 Cb 1.27 0.58 -0.06 0.00 -3.07 0.00 0.00 36.82 35.54 3hwp h ILE 65 CO 0.45 0.05 0.25 -0.08 -0.69 0.00 0.00 178.15 178.13 3hwp h GLU 66 N 0.25 0.46 -0.08 2.37 4.81 -1.95 -2.41 114.58 118.03 3hwp h GLU 66 Ca 0.18 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.34 3hwp h GLU 66 Cb 0.18 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 3hwp h GLU 66 CO -0.21 0.30 -0.13 -0.44 -0.73 0.00 0.00 179.01 177.80 3hwp h ASP 67 N 0.47 0.25 0.28 1.04 3.32 -1.72 -3.12 116.42 116.94 3hwp h ASP 67 Ca 0.27 -0.55 -0.07 0.00 0.02 0.00 0.00 57.03 56.70 3hwp h ASP 67 Cb 0.25 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 3hwp h ASP 67 CO -0.23 0.75 -0.31 0.16 -1.72 0.00 0.00 179.24 177.88 3hwp h ILE 68 N -0.24 1.24 0.00 0.35 3.07 -1.24 -1.76 117.51 118.93 3hwp h ILE 68 Ca 0.01 -1.14 0.00 0.00 1.55 0.00 0.00 64.86 65.28 3hwp h ILE 68 Cb 0.70 1.57 0.00 0.00 -0.27 0.00 0.00 36.82 38.82 3hwp h ILE 68 CO 0.03 0.33 0.00 0.59 -1.05 0.00 0.00 178.15 178.05 3hwp n ASN 69 N -4.15 0.50 0.26 2.16 3.02 -0.91 -2.49 115.26 113.65 3hwp n ASN 69 Ca -0.02 0.58 0.09 0.00 -0.03 0.00 0.00 54.58 55.20 3hwp n ASN 69 Cb 0.37 -0.70 0.66 0.00 -0.61 0.00 0.00 39.78 39.50 3hwp n ASN 69 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 3hwp h ARG 70 N 0.00 0.00 0.00 3.52 2.47 -1.25 -1.14 114.38 117.98 3hwp h ARG 70 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3hwp h ARG 70 Cb 0.48 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.80 3hwp h ARG 70 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 179.97 180.46 3hwp h LEU 71 N 0.00 0.00 -0.95 3.04 3.38 -1.63 -2.58 115.31 116.57 3hwp h LEU 71 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hwp h LEU 71 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3hwp h LEU 71 CO 0.00 0.00 -0.28 0.18 0.09 0.00 0.00 178.44 178.43 3hwp n LEU 72 N -2.86 1.75 -4.75 1.67 4.77 -0.43 -4.94 117.00 112.20 3hwp n LEU 72 Ca -0.01 -0.59 -0.41 0.00 -0.03 0.00 0.00 56.01 54.97 3hwp n LEU 72 Cb 0.14 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.18 3hwp n LEU 72 CO 0.20 0.31 1.24 -1.61 -1.33 0.00 0.00 177.39 176.20 3hwp s GLU 73 N -2.36 4.13 0.43 3.23 2.02 -0.97 -4.70 118.70 120.48 3hwp s GLU 73 Ca 0.24 2.56 0.12 0.00 0.02 0.00 0.00 54.97 57.92 3hwp s GLU 73 Cb 0.19 -3.03 0.95 0.00 0.10 0.00 0.00 34.13 32.34 3hwp s GLU 73 CO 0.49 -0.62 1.99 -1.35 0.02 0.00 0.00 175.26 175.79 3hwp h PRO 74 N 4.86 0.12 -0.29 0.39 0.11 -1.92 -1.14 132.00 134.13 3hwp h PRO 74 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3hwp h PRO 74 Cb 1.22 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3hwp h PRO 74 CO 0.79 0.24 0.00 -0.40 -0.21 0.00 0.00 178.00 178.42 3hwp n ASP 75 N -4.34 1.79 -4.71 -2.05 5.75 -1.26 -4.88 116.55 106.85 3hwp n ASP 75 Ca -0.02 -1.91 -0.38 0.00 -0.01 0.00 0.00 54.79 52.48 3hwp n ASP 75 Cb 0.22 -0.19 -0.06 0.00 -1.03 0.00 0.00 41.12 40.06 3hwp n ASP 75 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 3hwp s PHE 76 N -1.61 3.47 -0.06 2.11 5.36 -0.43 -5.05 117.98 121.76 3hwp s PHE 76 Ca 0.26 0.83 -0.01 0.00 -0.96 0.00 0.00 56.93 57.06 3hwp s PHE 76 Cb 0.14 -2.57 0.03 0.00 -0.34 0.00 0.00 43.02 40.28 3hwp s PHE 76 CO 0.19 0.10 -0.01 0.08 -1.46 0.00 0.00 175.22 174.12 3hwp s VAL 77 N 0.87 0.39 0.46 3.12 1.01 -1.26 -4.93 120.40 120.07 3hwp s VAL 77 Ca 0.25 0.06 -0.23 0.00 0.00 0.00 0.00 61.98 62.06 3hwp s VAL 77 Cb -0.15 -0.51 -0.07 0.00 0.00 0.00 0.00 36.38 35.65 3hwp s VAL 77 CO 0.10 0.24 1.18 -0.55 0.00 0.00 0.00 175.10 176.06 3hwp s SER 78 N 1.63 6.12 0.86 3.32 0.15 -1.26 -5.02 113.70 119.49 3hwp s SER 78 Ca -0.00 2.34 -0.10 0.00 0.70 0.00 0.00 55.95 58.88 3hwp s SER 78 Cb -0.13 -2.61 0.11 0.00 -1.71 0.00 0.00 66.02 61.69 3hwp s SER 78 CO -0.04 -0.96 1.12 -1.61 1.20 0.00 0.00 173.24 172.96 3hwp s GLU 79 N -2.70 1.51 0.26 5.44 2.02 -1.26 -4.82 118.70 119.15 3hwp s GLU 79 Ca 0.64 1.38 0.08 0.00 0.02 0.00 0.00 54.97 57.09 3hwp s GLU 79 Cb -0.29 -1.80 0.32 0.00 0.10 0.00 0.00 34.13 32.46 3hwp s GLU 79 CO 0.36 -2.24 1.59 0.93 0.02 0.00 0.00 175.26 175.92 3hwp h GLU 80 N -1.57 0.09 -2.51 1.61 5.08 -1.90 -3.14 114.58 112.23 3hwp h GLU 80 Ca -0.43 -0.06 0.15 0.00 -1.00 0.00 0.00 59.36 58.01 3hwp h GLU 80 Cb 1.25 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 30.44 3hwp h GLU 80 CO 0.46 0.67 0.42 -1.54 -1.00 0.00 0.00 179.01 178.02 3hwp s SER 81 N -6.87 -0.21 0.00 1.42 1.04 -1.25 -2.35 113.70 105.48 3hwp s SER 81 Ca -0.02 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 55.98 3hwp s SER 81 Cb 0.12 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.79 3hwp s SER 81 CO 0.78 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 174.61 3hwp n GLY 82 N -0.46 4.46 3.31 7.32 0.00 -1.10 -4.84 105.19 113.88 3hwp n GLY 82 Ca -0.06 -1.07 -0.10 0.00 0.00 0.00 0.00 46.02 44.80 3hwp n GLY 82 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hwp s TYR 83 N -1.99 0.52 -0.02 1.61 -0.85 -1.26 -1.38 117.35 113.99 3hwp s TYR 83 Ca 0.00 -0.88 -0.30 0.00 -0.52 0.00 0.00 57.07 55.37 3hwp s TYR 83 Cb 0.00 -0.15 0.10 0.00 0.38 0.00 0.00 41.96 42.30 3hwp s TYR 83 CO 0.00 -0.69 0.98 0.00 -1.52 0.00 0.00 175.55 174.32 3hwp s ALA 84 N -4.00 -1.87 -0.20 9.51 0.00 -0.39 -4.46 121.76 120.34 3hwp s ALA 84 Ca 0.20 0.98 -0.09 0.00 0.00 0.00 0.00 51.96 53.06 3hwp s ALA 84 Cb 0.04 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.46 3hwp s ALA 84 CO 0.01 -0.74 0.10 -1.17 0.00 0.00 0.00 175.76 173.96 3hwp s LEU 85 N -2.52 3.92 0.09 0.00 2.96 -1.26 -0.88 118.68 121.00 3hwp s LEU 85 Ca 0.07 0.09 0.03 0.00 -0.22 0.00 0.00 54.13 54.10 3hwp s LEU 85 Cb -0.01 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 3hwp s LEU 85 CO -0.06 0.13 0.10 -0.76 -1.32 0.00 0.00 176.35 174.43 3hwp s LEU 86 N 0.64 3.83 0.33 -0.68 1.43 -1.26 -5.00 118.68 117.96 3hwp s LEU 86 Ca 0.05 -0.02 -0.29 0.00 -1.03 0.00 0.00 54.13 52.85 3hwp s LEU 86 Cb -0.13 -2.49 -0.12 0.00 0.03 0.00 0.00 46.19 43.48 3hwp s LEU 86 CO 0.01 0.15 1.37 -2.65 0.23 0.00 0.00 176.35 175.47 3hwp n PRO 87 N 0.31 2.26 0.00 1.29 -0.02 -1.26 -4.41 135.00 133.17 3hwp n PRO 87 Ca -0.08 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 3hwp n PRO 87 Cb 0.52 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 3hwp n PRO 87 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hwp n GLY 88 N 1.09 -0.52 2.61 -1.23 0.00 -1.26 -4.93 105.19 100.94 3hwp n GLY 88 Ca 0.06 0.34 -0.18 0.00 0.00 0.00 0.00 46.02 46.23 3hwp n GLY 88 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hwp n PRO 89 N 0.00 -0.56 -4.87 1.61 -0.04 -1.24 -4.48 135.00 125.42 3hwp n PRO 89 Ca 0.00 -1.53 -0.31 0.00 -0.04 0.00 0.00 63.50 61.62 3hwp n PRO 89 Cb 0.00 -0.77 -0.14 0.00 -0.04 0.00 0.00 33.50 32.55 3hwp n PRO 89 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hwp s ALA 91 N -3.68 2.52 -0.03 0.55 0.00 0.93 -1.48 121.76 120.58 3hwp s ALA 91 Ca 0.49 -1.12 0.02 0.00 0.00 0.00 0.00 51.96 51.35 3hwp s ALA 91 Cb -0.02 -0.76 0.01 0.00 0.00 0.00 0.00 23.12 22.35 3hwp s ALA 91 CO 0.34 0.56 -0.07 -0.47 0.00 0.00 0.00 175.76 176.11 3hwp s TYR 92 N -0.80 0.80 -0.02 0.00 5.04 -0.06 -1.55 117.35 120.77 3hwp s TYR 92 Ca 0.13 -0.19 0.01 0.00 -2.44 0.00 0.00 57.07 54.57 3hwp s TYR 92 Cb -0.10 -0.59 0.01 0.00 0.35 0.00 0.00 41.96 41.62 3hwp s TYR 92 CO 0.02 -0.10 -0.02 0.08 -1.34 0.00 0.00 175.55 174.19 3hwp s VAL 93 N 0.29 0.29 0.04 3.14 1.01 -0.47 -1.26 120.40 123.44 3hwp s VAL 93 Ca -0.04 -0.06 0.09 0.00 0.00 0.00 0.00 61.98 61.97 3hwp s VAL 93 Cb -0.09 -0.31 -0.03 0.00 0.00 0.00 0.00 36.38 35.95 3hwp s VAL 93 CO 0.00 0.13 -0.26 0.00 0.00 0.00 0.00 175.10 174.98 3hwp s GLN 94 N 0.51 1.83 0.10 2.72 -2.07 -0.48 -0.72 119.66 121.56 3hwp s GLN 94 Ca -0.05 -1.10 -0.26 0.00 -1.82 0.00 0.00 55.36 52.14 3hwp s GLN 94 Cb -0.09 -2.00 0.08 0.00 -1.09 0.00 0.00 33.01 29.91 3hwp s GLN 94 CO -0.01 0.52 0.80 -1.54 -1.32 0.00 0.00 175.29 173.74 3hwp s SER 95 N -1.24 -0.38 -0.16 12.60 1.04 -0.88 -2.70 113.70 121.99 3hwp s SER 95 Ca 0.12 -0.14 -0.05 0.00 0.48 0.00 0.00 55.95 56.37 3hwp s SER 95 Cb -0.10 0.50 0.08 0.00 0.10 0.00 0.00 66.02 66.60 3hwp s SER 95 CO 0.02 -0.85 0.27 -0.60 0.98 0.00 0.00 173.24 173.06 3hwp s ARG 96 N -3.42 0.18 -0.02 4.02 3.52 -0.99 -1.38 118.95 120.86 3hwp s ARG 96 Ca 0.06 0.65 0.02 0.00 -0.13 0.00 0.00 55.73 56.33 3hwp s ARG 96 Cb -0.02 -0.27 -0.03 0.00 -1.56 0.00 0.00 34.95 33.07 3hwp s ARG 96 CO -0.06 -0.38 -0.06 0.15 -0.81 0.00 0.00 175.30 174.13 3hwp s LYS 97 N 2.43 2.63 -0.12 5.12 3.01 -0.29 -4.69 119.74 127.83 3hwp s LYS 97 Ca 0.03 -0.66 -0.07 0.00 -1.01 0.00 0.00 55.97 54.26 3hwp s LYS 97 Cb -0.13 -2.54 -0.04 0.00 -1.01 0.00 0.00 37.83 34.11 3hwp s LYS 97 CO -0.10 0.62 0.14 0.12 0.51 0.00 0.00 175.35 176.64 3hwp s PHE 98 N -0.95 3.58 -0.45 3.18 5.36 -1.26 -0.85 117.98 126.59 3hwp s PHE 98 Ca 0.16 0.51 0.04 0.00 -0.96 0.00 0.00 56.93 56.68 3hwp s PHE 98 Cb -0.11 -1.94 0.12 0.00 -0.34 0.00 0.00 43.02 40.75 3hwp s PHE 98 CO 0.06 0.72 0.19 -0.06 -1.46 0.00 0.00 175.22 174.66 3hwp s PHE 99 N -0.98 3.41 0.19 10.12 0.08 -1.26 -4.89 117.98 124.64 3hwp s PHE 99 Ca 0.15 -3.09 -0.31 0.00 0.12 0.00 0.00 56.93 53.80 3hwp s PHE 99 Cb -0.12 -2.88 -0.09 0.00 -0.57 0.00 0.00 43.02 39.36 3hwp s PHE 99 CO 0.04 -0.82 1.43 -2.14 -0.10 0.00 0.00 175.22 173.62 3hwp s PRO 100 N 0.17 4.29 -0.15 0.24 0.02 -1.26 -2.34 135.00 135.97 3hwp s PRO 100 Ca 0.15 2.21 0.00 0.00 0.02 0.00 0.00 61.00 63.37 3hwp s PRO 100 Cb -0.23 -3.17 0.00 0.00 0.02 0.00 0.00 34.50 31.12 3hwp s PRO 100 CO -0.03 -0.43 0.00 0.41 -0.33 0.00 0.00 177.00 176.62 3hwp n GLY 101 N 2.90 0.40 3.84 0.52 0.00 0.83 -4.89 105.19 108.79 3hwp n GLY 101 Ca 0.09 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3hwp n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hwp s THR 103 N -1.02 3.12 0.28 0.00 -4.23 -1.26 -4.40 115.64 108.12 3hwp s THR 103 Ca 0.16 -1.51 -0.03 0.00 -1.18 0.00 0.00 61.69 59.13 3hwp s THR 103 Cb -0.12 -3.07 0.27 0.00 1.34 0.00 0.00 72.50 70.92 3hwp s THR 103 CO 0.05 -0.14 1.92 0.00 -0.54 0.00 0.00 174.62 175.91 3hwp h ALA 104 N 1.34 1.39 0.00 3.99 0.00 -1.97 -2.22 119.26 121.80 3hwp h ALA 104 Ca -0.44 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3hwp h ALA 104 Cb 1.26 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3hwp h ALA 104 CO 0.61 0.51 0.00 0.94 0.00 0.00 0.00 179.25 181.31 3hwp n GLN 105 N -4.44 0.19 0.00 0.00 7.27 -1.26 -1.00 117.38 118.14 3hwp n GLN 105 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.20 3hwp n GLN 105 Cb 0.10 -1.28 0.00 0.00 2.41 0.00 0.00 30.24 31.47 3hwp n GLN 105 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3hwp n PHE 107 N 0.71 0.00 -0.16 3.69 7.35 -0.83 -1.08 117.46 127.13 3hwp n PHE 107 Ca 0.00 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.60 3hwp n PHE 107 Cb 0.08 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.91 3hwp n PHE 107 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 3hwp h LYS 108 N 0.00 0.71 -0.72 -4.13 1.57 -1.34 -2.75 116.57 109.90 3hwp h LYS 108 Ca 0.00 -0.15 0.12 0.00 -1.87 0.00 0.00 60.65 58.75 3hwp h LYS 108 Cb 0.00 -0.10 -0.09 0.00 0.08 0.00 0.00 32.23 32.12 3hwp h LYS 108 CO 0.00 0.68 0.30 2.35 -0.57 0.00 0.00 179.45 182.21 3hwp h TRP 109 N 0.60 0.52 -0.73 -1.35 7.01 -1.36 -1.79 115.95 118.86 3hwp h TRP 109 Ca 0.15 0.03 0.12 0.00 2.11 0.00 0.00 58.89 61.30 3hwp h TRP 109 Cb 0.26 -0.12 -0.09 0.00 -2.10 0.00 0.00 29.16 27.11 3hwp h TRP 109 CO 0.01 0.11 0.31 2.35 -2.79 0.00 0.00 178.44 178.43 3hwp h TRP 110 N 0.48 0.54 0.00 2.65 2.91 -1.76 0.13 115.95 120.89 3hwp h TRP 110 Ca 0.38 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.43 3hwp h TRP 110 Cb 0.53 -0.13 -0.00 0.00 -0.51 0.00 0.00 29.16 29.05 3hwp h TRP 110 CO -0.15 0.12 -0.03 0.74 -1.03 0.00 0.00 178.44 178.09 3hwp h PHE 111 N 0.49 0.00 0.17 2.65 0.04 -1.27 -1.93 116.94 117.09 3hwp h PHE 111 Ca 0.38 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.84 3hwp h PHE 111 Cb 0.52 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.68 3hwp h PHE 111 CO -0.15 0.03 -1.45 0.82 -0.60 0.00 0.00 178.31 176.96 3hwp h ILE 112 N 0.00 1.28 0.11 -0.55 1.08 -0.89 -3.42 117.51 115.12 3hwp h ILE 112 Ca -0.00 -2.82 -0.24 0.00 -0.39 0.00 0.00 64.86 61.40 3hwp h ILE 112 Cb 0.72 2.91 0.00 0.00 -3.07 0.00 0.00 36.82 37.38 3hwp h ILE 112 CO 0.00 0.85 -1.21 -0.25 -0.69 0.00 0.00 178.15 176.85 3hwp h TRP 113 N 0.10 0.44 -0.22 1.37 7.01 -0.54 -3.39 115.95 120.72 3hwp h TRP 113 Ca -0.22 -0.32 -0.09 0.00 2.11 0.00 0.00 58.89 60.37 3hwp h TRP 113 Cb 2.06 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 29.09 3hwp h TRP 113 CO 0.09 1.47 -0.26 1.12 -2.79 0.00 0.00 178.44 178.07 3hwp h HIS 114 N -0.37 0.47 0.00 2.65 2.07 -1.60 -2.86 115.15 115.51 3hwp h HIS 114 Ca -0.26 -0.10 0.00 0.00 -2.85 0.00 0.00 60.37 57.17 3hwp h HIS 114 Cb 1.69 -0.12 0.00 0.00 2.57 0.00 0.00 27.41 31.55 3hwp h HIS 114 CO 0.15 0.65 0.00 -1.35 -3.07 0.00 0.00 177.93 174.31 3hwp h PRO 115 N 0.37 0.00 -0.31 5.12 0.11 -1.81 -2.98 132.00 132.50 3hwp h PRO 115 Ca 0.05 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.16 3hwp h PRO 115 Cb 0.66 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.75 3hwp h PRO 115 CO 0.05 0.00 0.18 0.00 -0.21 0.00 0.00 178.00 178.02 3hwp h ALA 116 N 2.08 1.74 -3.47 -0.75 0.00 -1.74 -3.43 119.26 113.70 3hwp h ALA 116 Ca 0.00 -0.04 -0.25 0.00 0.00 0.00 0.00 54.91 54.62 3hwp h ALA 116 Cb 0.20 -0.13 -0.31 0.00 0.00 0.00 0.00 17.79 17.55 3hwp h ALA 116 CO 0.00 0.23 -0.66 -1.21 0.00 0.00 0.00 179.25 177.61 3hwp s GLU 117 N -5.34 0.04 0.31 0.00 2.02 -1.13 -5.04 118.70 109.56 3hwp s GLU 117 Ca -0.07 0.20 0.04 0.00 0.02 0.00 0.00 54.97 55.16 3hwp s GLU 117 Cb 0.17 -0.12 0.65 0.00 0.10 0.00 0.00 34.13 34.94 3hwp s GLU 117 CO 0.72 -0.11 1.84 0.77 0.02 0.00 0.00 175.26 178.50 3hwp h SER 118 N 6.80 0.84 -0.17 -0.19 0.02 -1.82 -1.07 113.55 117.96 3hwp h SER 118 Ca -0.37 0.05 0.05 0.00 -0.84 0.00 0.00 61.79 60.68 3hwp h SER 118 Cb 1.16 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.58 3hwp h SER 118 CO 0.46 0.42 0.12 -0.33 -1.14 0.00 0.00 176.83 176.36 3hwp h GLU 119 N 0.88 0.00 -0.28 3.45 3.07 -1.90 -0.95 114.58 118.85 3hwp h GLU 119 Ca 0.50 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 59.28 3hwp h GLU 119 Cb 0.61 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.51 3hwp h GLU 119 CO -0.26 0.00 -0.13 0.00 -1.40 0.00 0.00 179.01 177.22 3hwp h ARG 120 N 0.00 0.59 -0.74 2.33 3.08 -1.43 -2.83 114.38 115.38 3hwp h ARG 120 Ca 0.08 -0.25 0.12 0.00 0.07 0.00 0.00 59.98 60.00 3hwp h ARG 120 Cb 0.32 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.30 3hwp h ARG 120 CO -0.00 0.82 0.49 -0.92 -1.07 0.00 0.00 179.97 179.29 3hwp h TYR 121 N 0.33 0.59 0.00 3.04 3.20 -1.15 -1.94 116.97 121.04 3hwp h TYR 121 Ca 0.06 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 3hwp h TYR 121 Cb 0.64 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.72 3hwp h TYR 121 CO 0.06 0.25 -0.15 1.79 -1.64 0.00 0.00 178.16 178.47 3hwp h THR 122 N 0.53 0.36 -0.68 1.81 1.35 -1.11 -2.86 112.91 112.31 3hwp h THR 122 Ca 0.35 -0.97 -0.01 0.00 -0.55 0.00 0.00 66.41 65.24 3hwp h THR 122 Cb 0.65 1.73 -0.03 0.00 -1.73 0.00 0.00 68.15 68.77 3hwp h THR 122 CO -0.12 0.15 0.40 -0.07 -0.25 0.00 0.00 175.52 175.63 3hwp h LEU 123 N 0.00 0.82 -0.85 3.87 3.38 -1.27 -0.90 115.31 120.36 3hwp h LEU 123 Ca -0.00 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3hwp h LEU 123 Cb 0.72 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 3hwp h LEU 123 CO 0.02 0.64 0.48 -0.25 0.09 0.00 0.00 178.44 179.41 3hwp h TRP 124 N 0.94 1.15 -1.38 1.13 2.91 -1.59 -3.39 115.95 115.72 3hwp h TRP 124 Ca 0.24 -0.02 -0.26 0.00 1.13 0.00 0.00 58.89 59.98 3hwp h TRP 124 Cb -0.02 -0.37 -0.22 0.00 -0.51 0.00 0.00 29.16 28.03 3hwp h TRP 124 CO 0.00 0.79 -0.62 0.12 -1.03 0.00 0.00 178.44 177.71 3hwp s PHE 125 N -5.88 -0.90 0.44 2.65 5.99 -1.11 -4.48 117.98 114.70 3hwp s PHE 125 Ca -0.13 -0.98 0.23 0.00 0.00 0.00 0.00 56.93 56.06 3hwp s PHE 125 Cb 0.16 -0.02 1.23 0.00 0.00 0.00 0.00 43.02 44.39 3hwp s PHE 125 CO 0.82 -1.15 1.78 -1.35 -0.00 0.00 0.00 175.22 175.31 3hwp h PRO 126 N 5.34 0.27 0.00 10.12 0.11 -1.36 -1.41 132.00 145.07 3hwp h PRO 126 Ca 0.11 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.21 3hwp h PRO 126 Cb 1.06 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3hwp h PRO 126 CO 0.11 0.18 -0.51 0.66 -0.21 0.00 0.00 178.00 178.23 3hwp n TYR 127 N -4.52 0.27 0.00 0.65 4.01 -1.26 -4.05 117.16 112.26 3hwp n TYR 127 Ca 0.26 0.08 0.00 0.00 -0.16 0.00 0.00 57.90 58.08 3hwp n TYR 127 Cb 0.99 -0.47 0.00 0.00 -0.31 0.00 0.00 39.34 39.54 3hwp n TYR 127 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hwp n ALA 128 N -1.66 1.54 -2.53 -0.72 0.00 -0.62 -4.51 120.51 112.02 3hwp n ALA 128 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.10 3hwp n ALA 128 Cb 0.39 0.08 -0.06 0.00 0.00 0.00 0.00 19.45 19.86 3hwp n ALA 128 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3hwp s HIS 129 N -1.54 3.66 -0.03 0.00 3.76 -0.69 -0.63 115.29 119.82 3hwp s HIS 129 Ca 0.00 1.03 -0.04 0.00 -0.15 0.00 0.00 55.06 55.90 3hwp s HIS 129 Cb 0.00 -2.46 -0.01 0.00 1.11 0.00 0.00 32.58 31.22 3hwp s HIS 129 CO 0.00 0.43 -0.08 0.28 -0.85 0.00 0.00 174.74 174.53 3hwp n VAL 130 N 2.56 0.49 -3.62 -0.90 0.31 -0.26 -4.72 118.33 112.19 3hwp n VAL 130 Ca -0.10 0.29 -0.11 0.00 -0.01 0.00 0.00 64.34 64.41 3hwp n VAL 130 Cb 0.52 -1.58 -0.05 0.00 -0.91 0.00 0.00 33.84 31.82 3hwp n VAL 130 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3hwp s SER 131 N -4.91 -0.28 -0.37 4.52 1.04 -1.07 -4.79 113.70 107.85 3hwp s SER 131 Ca -0.06 -0.21 0.13 0.00 0.48 0.00 0.00 55.95 56.28 3hwp s SER 131 Cb 0.01 0.48 0.42 0.00 0.10 0.00 0.00 66.02 67.02 3hwp s SER 131 CO 0.10 -0.82 1.25 -3.20 0.98 0.00 0.00 173.24 171.54 3hwp n ASN 132 N -0.09 -0.76 -4.76 7.02 5.15 -1.26 -0.36 115.26 120.22 3hwp n ASN 132 Ca -0.17 -2.49 -0.40 0.00 -0.60 0.00 0.00 54.58 50.92 3hwp n ASN 132 Cb 0.63 0.48 -0.04 0.00 -0.53 0.00 0.00 39.78 40.32 3hwp n ASN 132 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3hwp s PRO 133 N -0.93 4.65 0.37 1.20 0.04 -1.25 -4.61 135.00 134.46 3hwp s PRO 133 Ca 0.23 1.79 0.01 0.00 0.04 0.00 0.00 61.00 63.06 3hwp s PRO 133 Cb 0.42 -3.20 -0.03 0.00 0.04 0.00 0.00 34.50 31.74 3hwp s PRO 133 CO -0.05 0.22 0.57 0.00 0.04 0.00 0.00 177.00 177.78 3hwp h VAL 135 N 0.68 1.28 -2.98 0.00 2.07 -1.38 -3.36 116.25 112.56 3hwp h VAL 135 Ca -0.49 -1.30 -0.67 0.00 0.82 0.00 0.00 66.70 65.07 3hwp h VAL 135 Cb 1.23 1.31 -0.38 0.00 -1.52 0.00 0.00 31.29 31.93 3hwp h VAL 135 CO 0.60 0.43 -0.24 1.41 0.02 0.00 0.00 177.57 179.79 3hwp n HIS 136 N -4.28 3.69 0.20 1.57 8.25 -1.26 -4.89 115.22 118.50 3hwp n HIS 136 Ca -0.02 -4.05 0.08 0.00 -0.26 0.00 0.00 57.72 53.47 3hwp n HIS 136 Cb 0.41 -0.89 0.37 0.00 1.12 0.00 0.00 29.99 30.99 3hwp n HIS 136 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 3hwp h HIS 137 N 5.39 0.00 -0.41 4.41 -0.00 -1.99 -2.40 115.15 120.15 3hwp h HIS 137 Ca 0.17 0.00 -0.07 0.00 -0.00 0.00 0.00 60.37 60.47 3hwp h HIS 137 Cb 0.74 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.14 3hwp h HIS 137 CO 0.74 0.30 -0.01 0.37 -0.00 0.00 0.00 177.93 179.32 3hwp h GLN 138 N 0.00 0.73 -0.90 5.12 5.75 -1.95 -2.73 115.11 121.12 3hwp h GLN 138 Ca -0.00 -0.24 0.00 0.00 -0.15 0.00 0.00 58.65 58.26 3hwp h GLN 138 Cb 0.87 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 29.31 3hwp h GLN 138 CO 0.04 0.82 0.57 -0.09 -2.65 0.00 0.00 178.83 177.52 3hwp h ARG 139 N 0.56 1.21 -0.97 1.69 2.43 -1.83 -2.37 114.38 115.09 3hwp h ARG 139 Ca 0.11 -0.09 0.04 0.00 -0.81 0.00 0.00 59.98 59.23 3hwp h ARG 139 Cb 0.50 -0.26 -0.06 0.00 -0.42 0.00 0.00 29.97 29.73 3hwp h ARG 139 CO 0.02 0.82 0.63 1.25 -1.51 0.00 0.00 179.97 181.19 3hwp h LEU 140 N 1.24 1.05 -1.97 3.80 6.46 -1.22 -2.28 115.31 122.39 3hwp h LEU 140 Ca 0.33 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 58.08 3hwp h LEU 140 Cb -0.10 -0.24 0.00 0.00 -0.73 0.00 0.00 40.66 39.59 3hwp h LEU 140 CO -0.07 0.72 0.00 -2.11 -0.62 0.00 0.00 178.44 176.36 3hwp n ARG 141 N -4.47 2.24 -2.61 1.25 1.85 -1.00 -4.90 116.66 109.02 3hwp n ARG 141 Ca 0.13 -1.93 -0.42 0.00 -1.00 0.00 0.00 57.85 54.63 3hwp n ARG 141 Cb 0.10 -1.42 -0.03 0.00 -1.05 0.00 0.00 32.46 30.07 3hwp n ARG 141 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 3hwp s ASP 142 N -1.00 6.38 0.07 2.89 -1.08 -0.86 -4.89 116.67 118.18 3hwp s ASP 142 Ca 0.36 -0.06 0.19 0.00 -0.52 0.00 0.00 52.55 52.53 3hwp s ASP 142 Cb 0.19 -2.54 0.80 0.00 -1.46 0.00 0.00 42.92 39.91 3hwp s ASP 142 CO 0.24 -1.51 1.61 -0.62 0.52 0.00 0.00 175.17 175.41 3hwp n GLU 143 N 8.46 0.06 0.00 4.34 1.02 -1.26 -1.79 120.64 131.47 3hwp n GLU 143 Ca 0.07 0.25 0.13 0.00 -0.02 0.00 0.00 57.16 57.59 3hwp n GLU 143 Cb 0.49 -1.60 0.68 0.00 -0.02 0.00 0.00 31.44 30.98 3hwp n GLU 143 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3hwp n SER 144 N -1.71 0.00 -4.66 1.62 3.41 -1.26 -4.78 113.62 106.24 3hwp n SER 144 Ca 0.04 -0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.32 3hwp n SER 144 Cb 0.22 -0.32 -0.09 0.00 -0.26 0.00 0.00 64.21 63.76 3hwp n SER 144 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hwp s LEU 145 N -2.65 3.42 0.99 1.04 1.43 -0.74 -5.12 118.68 117.06 3hwp s LEU 145 Ca 0.24 -0.05 -0.12 0.00 -1.03 0.00 0.00 54.13 53.17 3hwp s LEU 145 Cb 0.18 -1.96 0.19 0.00 0.03 0.00 0.00 46.19 44.63 3hwp s LEU 145 CO 0.43 0.28 1.08 -0.94 0.23 0.00 0.00 176.35 177.44 3hwp s SER 146 N -1.53 2.54 0.20 2.29 1.04 -1.26 -4.74 113.70 112.25 3hwp s SER 146 Ca 0.19 1.53 -0.12 0.00 0.48 0.00 0.00 55.95 58.03 3hwp s SER 146 Cb -0.11 -2.20 0.24 0.00 0.10 0.00 0.00 66.02 64.05 3hwp s SER 146 CO 0.10 -3.23 1.70 0.15 0.98 0.00 0.00 173.24 172.93 3hwp h PHE 147 N -1.96 0.10 -0.65 5.02 3.57 -1.98 -0.60 116.94 120.44 3hwp h PHE 147 Ca -0.53 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.01 3hwp h PHE 147 Cb 1.30 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 40.05 3hwp h PHE 147 CO 0.36 -0.06 0.41 0.93 -2.23 0.00 0.00 178.31 177.72 3hwp h GLU 148 N 0.20 0.87 0.00 1.11 3.07 -1.98 -0.62 114.58 117.23 3hwp h GLU 148 Ca 0.28 -0.07 -0.08 0.00 -0.50 0.00 0.00 59.36 59.00 3hwp h GLU 148 Cb 0.42 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 3hwp h GLU 148 CO -0.40 0.60 -0.39 0.93 -1.40 0.00 0.00 179.01 178.35 3hwp h GLU 149 N 0.88 0.00 0.01 2.33 5.08 -1.69 -0.34 114.58 120.84 3hwp h GLU 149 Ca 0.24 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.34 3hwp h GLU 149 Cb -0.06 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.20 3hwp h GLU 149 CO -0.05 0.39 -1.02 0.00 -1.00 0.00 0.00 179.01 177.33 3hwp h ARG 150 N 0.00 0.60 0.07 2.33 3.08 -0.68 -3.39 114.38 116.39 3hwp h ARG 150 Ca -0.00 -0.65 -0.37 0.00 0.07 0.00 0.00 59.98 59.02 3hwp h ARG 150 Cb 0.70 0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.90 3hwp h ARG 150 CO 0.05 1.26 -2.13 -0.11 -1.07 0.00 0.00 179.97 177.96 3hwp n LEU 151 N -3.81 2.68 -4.78 3.04 7.94 -0.28 -4.13 117.00 117.66 3hwp n LEU 151 Ca -0.10 0.11 -0.37 0.00 -1.11 0.00 0.00 56.01 54.54 3hwp n LEU 151 Cb 0.87 -1.03 -0.05 0.00 0.53 0.00 0.00 43.42 43.75 3hwp n LEU 151 CO 0.54 0.84 0.73 -0.31 -1.11 0.00 0.00 177.39 178.08 3hwp s TYR 152 N -2.53 3.42 -1.28 1.96 2.02 -0.15 -3.26 117.35 117.53 3hwp s TYR 152 Ca -0.27 1.69 0.00 0.00 -0.37 0.00 0.00 57.07 58.11 3hwp s TYR 152 Cb 0.08 -3.12 0.00 0.00 -0.40 0.00 0.00 41.96 38.51 3hwp s TYR 152 CO 0.69 -0.45 0.00 0.41 -1.57 0.00 0.00 175.55 174.64 3hwp n GLY 153 N 0.59 0.01 2.73 0.71 0.00 -0.27 -4.89 105.19 104.07 3hwp n GLY 153 Ca 0.03 -0.29 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 3hwp n GLY 153 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hwp s ASN 154 N -2.42 3.64 0.01 1.61 3.84 -1.20 -5.01 114.94 115.40 3hwp s ASN 154 Ca 0.00 -3.11 -0.33 0.00 0.21 0.00 0.00 52.86 49.62 3hwp s ASN 154 Cb 0.00 -1.15 -0.12 0.00 -0.55 0.00 0.00 41.25 39.43 3hwp s ASN 154 CO 0.00 -0.19 1.81 0.41 -2.79 0.00 0.00 177.10 176.34 3hwp n THR 155 N 2.90 0.43 -3.49 -5.21 -1.04 -1.26 -4.62 114.28 102.00 3hwp n THR 155 Ca 0.16 -0.08 -0.38 0.00 -2.04 0.00 0.00 64.05 61.71 3hwp n THR 155 Cb 0.37 -1.85 -0.06 0.00 -1.82 0.00 0.00 70.33 66.97 3hwp n THR 155 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 3hwp s PHE 156 N 3.17 3.69 -0.78 -1.42 0.08 0.49 -1.13 117.98 122.08 3hwp s PHE 156 Ca 0.88 0.96 -0.06 0.00 0.12 0.00 0.00 56.93 58.83 3hwp s PHE 156 Cb -0.65 -2.32 0.20 0.00 -0.57 0.00 0.00 43.02 39.69 3hwp s PHE 156 CO 0.46 0.58 0.66 0.00 -0.10 0.00 0.00 175.22 176.82 3hwp s ALA 158 N -0.47 3.30 -0.21 0.00 0.00 0.12 -3.92 121.76 120.58 3hwp s ALA 158 Ca 0.21 0.34 -0.03 0.00 0.00 0.00 0.00 51.96 52.48 3hwp s ALA 158 Cb -0.14 -3.26 -0.00 0.00 0.00 0.00 0.00 23.12 19.72 3hwp s ALA 158 CO -0.07 -0.35 -0.07 -1.12 0.00 0.00 0.00 175.76 174.15 3hwp s SER 159 N 1.00 4.12 -0.06 0.00 0.01 0.52 0.06 113.70 119.35 3hwp s SER 159 Ca 0.46 -0.43 -0.30 0.00 1.31 0.00 0.00 55.95 56.99 3hwp s SER 159 Cb -0.19 -1.70 0.09 0.00 0.21 0.00 0.00 66.02 64.43 3hwp s SER 159 CO 0.21 -0.01 0.78 -1.83 0.41 0.00 0.00 173.24 172.80 3hwp s GLU 160 N 1.43 0.93 0.15 12.44 -1.05 -1.26 -1.10 118.70 130.23 3hwp s GLU 160 Ca 0.05 0.14 -0.30 0.00 -0.15 0.00 0.00 54.97 54.71 3hwp s GLU 160 Cb -0.14 0.44 -0.07 0.00 -0.44 0.00 0.00 34.13 33.92 3hwp s GLU 160 CO -0.05 -0.31 0.94 0.71 0.95 0.00 0.00 175.26 177.51 3hwp s TYR 161 N -1.48 3.86 -0.33 4.83 2.02 0.20 -4.52 117.35 121.92 3hwp s TYR 161 Ca -0.06 1.81 -0.00 0.00 -0.37 0.00 0.00 57.07 58.45 3hwp s TYR 161 Cb -0.00 -3.02 0.08 0.00 -0.40 0.00 0.00 41.96 38.62 3hwp s TYR 161 CO 0.05 0.29 0.05 0.08 -1.57 0.00 0.00 175.55 174.45 3hwp s VAL 162 N -0.36 2.81 0.00 0.71 1.01 -0.16 -4.85 120.40 119.56 3hwp s VAL 162 Ca 0.45 -1.82 0.00 0.00 0.00 0.00 0.00 61.98 60.61 3hwp s VAL 162 Cb -0.24 -2.81 0.00 0.00 0.00 0.00 0.00 36.38 33.33 3hwp s VAL 162 CO 0.30 -0.37 0.00 0.61 0.00 0.00 0.00 175.10 175.64 3hwp n GLY 163 N 4.51 3.14 0.92 4.51 0.00 -1.26 -2.42 105.19 114.58 3hwp n GLY 163 Ca -0.06 -0.19 0.08 0.00 0.00 0.00 0.00 46.02 45.85 3hwp n GLY 163 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hwp n ASP 164 N 8.63 3.26 -4.48 1.61 5.68 -1.26 -4.76 116.55 125.24 3hwp n ASP 164 Ca 0.00 -1.96 -0.40 0.00 -0.50 0.00 0.00 54.79 51.93 3hwp n ASP 164 Cb 0.00 -0.30 -0.11 0.00 -1.14 0.00 0.00 41.12 39.57 3hwp n ASP 164 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 3hwp s ARG 165 N -1.04 3.35 0.92 0.11 3.52 -1.01 -4.95 118.95 119.84 3hwp s ARG 165 Ca 0.33 -0.73 -0.12 0.00 -0.13 0.00 0.00 55.73 55.08 3hwp s ARG 165 Cb 0.17 -3.71 0.14 0.00 -1.56 0.00 0.00 34.95 30.00 3hwp s ARG 165 CO 0.23 -0.47 1.10 -1.17 -0.81 0.00 0.00 175.30 174.18 3hwp s LEU 166 N 1.66 2.04 -0.33 -0.88 2.96 -1.26 -0.99 118.68 121.88 3hwp s LEU 166 Ca 0.05 1.31 0.03 0.00 -0.22 0.00 0.00 54.13 55.30 3hwp s LEU 166 Cb -0.17 -3.66 0.19 0.00 0.50 0.00 0.00 46.19 43.05 3hwp s LEU 166 CO 0.08 -2.73 0.70 -1.00 -1.32 0.00 0.00 176.35 172.09 3hwp s HIS 168 N -3.00 -1.51 -0.14 5.38 3.76 -1.26 -4.95 115.29 113.56 3hwp s HIS 168 Ca 0.64 0.63 -0.06 0.00 -0.15 0.00 0.00 55.06 56.12 3hwp s HIS 168 Cb -0.17 0.27 -0.04 0.00 1.11 0.00 0.00 32.58 33.74 3hwp s HIS 168 CO 0.56 -0.93 0.06 -0.51 -0.85 0.00 0.00 174.74 173.07 3hwp s LEU 169 N 2.47 3.86 -0.31 0.89 1.43 0.11 -0.20 118.68 126.93 3hwp s LEU 169 Ca 0.15 0.17 -0.14 0.00 -1.03 0.00 0.00 54.13 53.28 3hwp s LEU 169 Cb -0.06 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 3hwp s LEU 169 CO -0.19 0.28 0.32 -1.00 0.23 0.00 0.00 176.35 175.98 3hwp s HIS 170 N -0.24 3.22 -0.28 0.29 3.76 0.88 0.12 115.29 123.03 3hwp s HIS 170 Ca 0.08 0.09 -0.05 0.00 -0.15 0.00 0.00 55.06 55.03 3hwp s HIS 170 Cb -0.12 -2.57 0.01 0.00 1.11 0.00 0.00 32.58 31.02 3hwp s HIS 170 CO 0.01 -0.32 0.03 0.42 -0.85 0.00 0.00 174.74 174.04 3hwp s ILE 171 N 1.95 3.61 -0.45 0.60 1.01 0.18 -1.13 121.20 126.97 3hwp s ILE 171 Ca 0.11 -0.81 -0.05 0.00 0.00 0.00 0.00 60.65 59.90 3hwp s ILE 171 Cb -0.16 -2.86 0.12 0.00 0.01 0.00 0.00 42.46 39.57 3hwp s ILE 171 CO 0.11 0.11 0.27 -0.62 0.00 0.00 0.00 174.94 174.82 3hwp s ASP 172 N 1.44 5.43 0.52 3.58 2.15 -0.05 -0.38 116.67 129.36 3hwp s ASP 172 Ca 0.02 -2.05 -0.22 0.00 0.43 0.00 0.00 52.55 50.72 3hwp s ASP 172 Cb -0.17 -1.90 -0.06 0.00 -0.30 0.00 0.00 42.92 40.49 3hwp s ASP 172 CO 0.00 -0.59 1.32 -0.36 -0.17 0.00 0.00 175.17 175.37 3hwp s PHE 173 N 1.13 2.43 0.00 -5.34 0.08 -1.26 -1.64 117.98 113.39 3hwp s PHE 173 Ca 0.08 1.40 -0.06 0.00 0.12 0.00 0.00 56.93 58.47 3hwp s PHE 173 Cb -0.24 -3.71 -0.00 0.00 -0.57 0.00 0.00 43.02 38.50 3hwp s PHE 173 CO -0.03 -2.58 0.11 -0.65 -0.10 0.00 0.00 175.22 171.97 3hwp s GLN 174 N -2.82 0.45 0.21 0.44 -1.52 -1.03 -1.11 119.66 114.28 3hwp s GLN 174 Ca 0.69 -0.42 -0.32 0.00 -1.95 0.00 0.00 55.36 53.36 3hwp s GLN 174 Cb -0.38 0.19 -0.14 0.00 -0.22 0.00 0.00 33.01 32.46 3hwp s GLN 174 CO 0.45 -0.10 1.37 1.04 -0.25 0.00 0.00 175.29 177.80 3hwp n GLN 175 N 1.50 1.81 -0.28 2.91 1.13 -1.26 -4.73 117.38 118.47 3hwp n GLN 175 Ca -0.23 0.65 0.08 0.00 -1.94 0.00 0.00 57.00 55.56 3hwp n GLN 175 Cb 0.56 -2.28 0.22 0.00 0.11 0.00 0.00 30.24 28.85 3hwp n GLN 175 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 3hwp h PRO 176 N 4.23 0.47 -0.60 -1.09 0.11 -1.93 -1.83 132.00 131.37 3hwp h PRO 176 Ca -0.45 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 3hwp h PRO 176 Cb 1.29 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 3hwp h PRO 176 CO 0.76 0.31 0.26 0.00 -0.21 0.00 0.00 178.00 179.13 3hwp h ALA 177 N 1.59 1.34 0.00 -0.75 0.00 -1.90 -0.28 119.26 119.26 3hwp h ALA 177 Ca 0.46 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3hwp h ALA 177 Cb 0.73 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3hwp h ALA 177 CO -0.42 0.50 0.00 0.66 0.00 0.00 0.00 179.25 179.99 3hwp h SER 178 N 0.85 0.00 0.06 0.00 4.64 -1.65 -1.95 113.55 115.49 3hwp h SER 178 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3hwp h SER 178 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3hwp h SER 178 CO -0.02 0.00 -0.09 0.18 -0.87 0.00 0.00 176.83 176.03 3hwp n LEU 179 N -2.63 1.46 0.00 5.97 4.77 -0.16 -4.93 117.00 121.49 3hwp n LEU 179 Ca 0.01 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 3hwp n LEU 179 Cb 0.25 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 3hwp n LEU 179 CO 0.22 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 3hwp n GLY 180 N 1.24 0.63 3.71 -0.72 0.00 -0.73 -5.00 105.19 104.31 3hwp n GLY 180 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3hwp n GLY 180 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hwp s LEU 181 N 0.00 4.35 -0.02 0.99 1.43 -0.95 -4.87 118.68 119.61 3hwp s LEU 181 Ca 0.00 1.90 -0.30 0.00 -1.03 0.00 0.00 54.13 54.70 3hwp s LEU 181 Cb 0.00 -3.57 -0.06 0.00 0.03 0.00 0.00 46.19 42.59 3hwp s LEU 181 CO 0.00 -0.45 1.64 0.21 0.23 0.00 0.00 176.35 177.98 3hwp s ASN 182 N 1.12 6.67 0.19 2.29 3.84 -1.26 -4.00 114.94 123.79 3hwp s ASN 182 Ca 0.57 2.28 -0.11 0.00 0.21 0.00 0.00 52.86 55.81 3hwp s ASN 182 Cb -0.27 -2.54 0.12 0.00 -0.55 0.00 0.00 41.25 38.01 3hwp s ASN 182 CO 0.28 -0.90 1.80 0.74 -2.79 0.00 0.00 177.10 176.22 3hwp h THR 183 N 5.38 1.22 0.34 -5.21 2.02 -1.95 0.18 112.91 114.88 3hwp h THR 183 Ca -0.40 -0.57 -0.02 0.00 0.77 0.00 0.00 66.41 66.19 3hwp h THR 183 Cb 1.18 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 3hwp h THR 183 CO 0.94 0.25 -0.16 0.44 0.37 0.00 0.00 175.52 177.36 3hwp h ASP 184 N 0.96 -0.38 -0.89 4.18 3.32 -1.99 -0.55 116.42 121.06 3hwp h ASP 184 Ca 0.24 -0.06 0.07 0.00 0.02 0.00 0.00 57.03 57.30 3hwp h ASP 184 Cb 0.06 0.10 -0.06 0.00 0.22 0.00 0.00 39.33 39.65 3hwp h ASP 184 CO -0.04 -0.18 0.55 -0.07 -1.72 0.00 0.00 179.24 177.78 3hwp h LEU 185 N -0.56 0.87 -0.43 1.55 3.38 -1.94 -0.59 115.31 117.59 3hwp h LEU 185 Ca -0.05 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3hwp h LEU 185 Cb 0.42 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3hwp h LEU 185 CO 0.08 0.54 0.24 0.22 0.09 0.00 0.00 178.44 179.61 3hwp h TYR 186 N 1.00 0.59 -0.56 1.13 3.20 -0.76 0.45 116.97 122.02 3hwp h TYR 186 Ca 0.39 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.17 3hwp h TYR 186 Cb 0.20 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 3hwp h TYR 186 CO -0.03 0.44 0.04 0.00 -1.64 0.00 0.00 178.16 176.97 3hwp h ARG 187 N 0.57 0.96 0.00 1.82 3.08 -0.67 -2.64 114.38 117.50 3hwp h ARG 187 Ca 0.15 -0.29 -0.04 0.00 0.07 0.00 0.00 59.98 59.87 3hwp h ARG 187 Cb 0.04 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 3hwp h ARG 187 CO -0.03 0.95 -0.19 0.93 -1.07 0.00 0.00 179.97 180.56 3hwp h GLU 188 N 0.85 0.00 0.00 0.04 5.08 -0.74 -1.21 114.58 118.60 3hwp h GLU 188 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3hwp h GLU 188 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3hwp h GLU 188 CO 0.02 0.19 0.00 0.00 -1.00 0.00 0.00 179.01 178.23 3hwp n ALA 189 N -2.31 2.42 -3.96 3.43 0.00 0.12 -4.92 120.51 115.28 3hwp n ALA 189 Ca -0.01 -0.14 -0.26 0.00 0.00 0.00 0.00 53.44 53.02 3hwp n ALA 189 Cb 0.31 -1.45 -0.02 0.00 0.00 0.00 0.00 19.45 18.30 3hwp n ALA 189 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3hwp n LYS 190 N -1.19 -3.37 -2.64 0.00 5.02 -0.46 -4.93 118.16 110.59 3hwp n LYS 190 Ca 0.16 0.41 -0.41 0.00 -2.02 0.00 0.00 58.31 56.44 3hwp n LYS 190 Cb 0.18 -4.59 -0.04 0.00 -0.02 0.00 0.00 35.03 30.56 3hwp n LYS 190 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3hwp s ILE 191 N -3.91 4.42 -0.27 -0.18 1.01 -1.25 -4.87 121.20 116.15 3hwp s ILE 191 Ca 0.05 1.90 0.19 0.00 0.00 0.00 0.00 60.65 62.79 3hwp s ILE 191 Cb -0.03 -4.21 0.16 0.00 0.01 0.00 0.00 42.46 38.39 3hwp s ILE 191 CO 0.89 0.24 1.46 0.44 0.00 0.00 0.00 174.94 177.97 3hwp h ASP 192 N 5.99 0.00 -5.31 3.58 3.32 -1.42 -3.49 116.42 119.10 3hwp h ASP 192 Ca -0.42 0.00 0.30 0.00 0.02 0.00 0.00 57.03 56.93 3hwp h ASP 192 Cb 1.21 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.63 3hwp h ASP 192 CO 0.74 0.28 0.81 -0.83 -1.72 0.00 0.00 179.24 178.52 3hwp s GLY 193 N -4.37 -0.37 -0.02 2.75 0.00 -0.90 -5.01 107.32 99.39 3hwp s GLY 193 Ca 0.05 0.94 0.00 0.00 0.00 0.00 0.00 44.72 45.71 3hwp s GLY 193 CO 0.72 0.24 0.00 -0.45 0.00 0.00 0.00 173.10 173.61 3hwp s SER 194 N -2.75 0.29 -0.26 1.64 0.15 -1.26 -1.52 113.70 110.00 3hwp s SER 194 Ca 0.13 -0.01 0.09 0.00 0.70 0.00 0.00 55.95 56.86 3hwp s SER 194 Cb 0.03 -0.14 0.44 0.00 -1.71 0.00 0.00 66.02 64.64 3hwp s SER 194 CO -0.04 -0.08 1.25 1.33 1.20 0.00 0.00 173.24 176.90 3hwp n VAL 195 N 3.93 2.39 -1.78 4.45 0.24 -0.64 -4.99 118.33 121.93 3hwp n VAL 195 Ca -0.24 -3.54 -0.36 0.00 -2.04 0.00 0.00 64.34 58.16 3hwp n VAL 195 Cb 0.52 -0.59 0.06 0.00 -1.47 0.00 0.00 33.84 32.36 3hwp n VAL 195 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3hwp s SER 196 N -3.26 4.72 0.21 -1.34 0.01 -1.23 -4.56 113.70 108.24 3hwp s SER 196 Ca 0.44 2.50 -0.22 0.00 1.31 0.00 0.00 55.95 59.98 3hwp s SER 196 Cb 0.39 -2.61 0.05 0.00 0.21 0.00 0.00 66.02 64.07 3hwp s SER 196 CO -0.02 -1.92 0.65 0.00 0.41 0.00 0.00 173.24 172.36 3hwp s ALA 197 N -1.56 -1.45 0.18 1.44 0.00 -1.26 -2.47 121.76 116.63 3hwp s ALA 197 Ca 0.80 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.93 3hwp s ALA 197 Cb -0.34 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.65 3hwp s ALA 197 CO 0.38 -0.88 0.00 1.28 0.00 0.00 0.00 175.76 176.55 3hwp n LEU 198 N -0.41 0.00 -3.58 0.00 4.77 -0.65 -4.46 117.00 112.67 3hwp n LEU 198 Ca -0.12 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.81 3hwp n LEU 198 Cb 0.63 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.70 3hwp n LEU 198 CO 0.13 -0.41 0.94 -0.94 -1.33 0.00 0.00 177.39 175.78 3hwp s SER 200 N -1.00 -0.18 0.42 -1.43 1.04 -0.28 -0.87 113.70 111.41 3hwp s SER 200 Ca 0.00 -0.01 -0.18 0.00 0.48 0.00 0.00 55.95 56.23 3hwp s SER 200 Cb 0.00 0.20 -0.10 0.00 0.10 0.00 0.00 66.02 66.22 3hwp s SER 200 CO 0.00 -0.32 0.91 -0.76 0.98 0.00 0.00 173.24 174.04 3hwp s LEU 201 N -2.29 3.90 0.46 2.42 1.43 -1.26 -0.09 118.68 123.25 3hwp s LEU 201 Ca 0.09 1.56 0.13 0.00 -1.03 0.00 0.00 54.13 54.87 3hwp s LEU 201 Cb -0.01 -4.42 1.05 0.00 0.03 0.00 0.00 46.19 42.84 3hwp s LEU 201 CO -0.05 -0.37 2.05 0.00 0.23 0.00 0.00 176.35 178.21 3hwp h ALA 202 N 1.76 1.79 -0.71 4.21 0.00 -0.93 -2.65 119.26 122.71 3hwp h ALA 202 Ca -0.48 -0.08 0.14 0.00 0.00 0.00 0.00 54.91 54.48 3hwp h ALA 202 Cb 1.18 -0.05 -0.13 0.00 0.00 0.00 0.00 17.79 18.78 3hwp h ALA 202 CO 0.62 0.17 -0.24 0.22 0.00 0.00 0.00 179.25 180.01 3hwp h ASP 203 N 0.14 -0.87 -2.44 0.00 -0.00 -1.93 -3.29 116.42 108.03 3hwp h ASP 203 Ca 0.03 0.23 -0.59 0.00 -0.00 0.00 0.00 57.03 56.70 3hwp h ASP 203 Cb 0.13 0.51 -0.38 0.00 -0.00 0.00 0.00 39.33 39.59 3hwp h ASP 203 CO 0.00 -0.27 -0.94 -1.00 -0.00 0.00 0.00 179.24 177.04 3hwp s HIS 204 N -6.15 1.16 0.24 0.28 3.76 -1.02 -5.01 115.29 108.55 3hwp s HIS 204 Ca -0.14 -2.28 0.32 0.00 -0.15 0.00 0.00 55.06 52.80 3hwp s HIS 204 Cb 0.20 -1.01 1.72 0.00 1.11 0.00 0.00 32.58 34.60 3hwp s HIS 204 CO 0.73 -0.82 1.96 -1.00 -0.85 0.00 0.00 174.74 174.77 3hwp h PRO 205 N 5.82 0.00 -0.64 8.40 0.13 -1.59 -0.72 132.00 143.40 3hwp h PRO 205 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 3hwp h PRO 205 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 3hwp h PRO 205 CO 0.37 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.53 3hwp n GLU 206 N -2.64 2.52 -3.86 0.86 -0.58 -1.26 -4.76 120.64 110.92 3hwp n GLU 206 Ca -0.02 -2.35 -0.36 0.00 -0.42 0.00 0.00 57.16 54.01 3hwp n GLU 206 Cb 0.09 -1.51 -0.13 0.00 -0.57 0.00 0.00 31.44 29.32 3hwp n GLU 206 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3hwp s VAL 207 N -1.15 3.20 0.06 2.62 1.01 -0.28 -4.55 120.40 121.31 3hwp s VAL 207 Ca 0.44 -1.38 -0.31 0.00 0.00 0.00 0.00 61.98 60.73 3hwp s VAL 207 Cb 0.23 -2.86 -0.08 0.00 0.00 0.00 0.00 36.38 33.67 3hwp s VAL 207 CO 0.30 -0.17 1.62 -2.84 0.00 0.00 0.00 175.10 174.01 3hwp s PRO 208 N 1.28 4.21 0.00 2.72 0.02 -1.26 -4.41 135.00 137.55 3hwp s PRO 208 Ca -0.03 2.29 0.08 0.00 0.02 0.00 0.00 61.00 63.35 3hwp s PRO 208 Cb -0.20 -3.59 0.06 0.00 0.02 0.00 0.00 34.50 30.80 3hwp s PRO 208 CO -0.00 -0.71 0.75 1.33 -0.33 0.00 0.00 177.00 178.04 3hwp n VAL 209 N 4.71 0.03 -3.69 3.83 0.24 -1.26 -4.54 118.33 117.64 3hwp n VAL 209 Ca 0.15 -0.51 -0.14 0.00 -2.04 0.00 0.00 64.34 61.80 3hwp n VAL 209 Cb 0.41 1.14 -0.09 0.00 -1.47 0.00 0.00 33.84 33.83 3hwp n VAL 209 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3hwp s SER 210 N -0.65 -0.50 0.20 -1.34 0.15 -1.26 0.14 113.70 110.45 3hwp s SER 210 Ca 0.09 0.90 0.01 0.00 0.70 0.00 0.00 55.95 57.65 3hwp s SER 210 Cb 0.06 0.92 0.01 0.00 -1.71 0.00 0.00 66.02 65.31 3hwp s SER 210 CO 0.10 -0.24 0.07 -0.11 1.20 0.00 0.00 173.24 174.26 3hwp n LEU 211 N 2.51 0.00 -3.59 3.45 7.94 -0.77 -4.40 117.00 122.15 3hwp n LEU 211 Ca -0.15 -1.18 -0.02 0.00 -1.11 0.00 0.00 56.01 53.56 3hwp n LEU 211 Cb 0.56 0.07 -0.05 0.00 0.53 0.00 0.00 43.42 44.53 3hwp n LEU 211 CO 0.12 -0.27 0.49 -0.69 -1.11 0.00 0.00 177.39 175.94 3hwp s VAL 213 N -1.41 -0.34 -0.21 1.96 1.01 -0.14 -1.48 120.40 119.79 3hwp s VAL 213 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 3hwp s VAL 213 Cb -0.00 -1.00 0.07 0.00 0.00 0.00 0.00 36.38 35.44 3hwp s VAL 213 CO 0.03 0.00 0.06 -1.00 0.00 0.00 0.00 175.10 174.19 3hwp s HIS 214 N 2.02 0.91 -0.14 5.22 3.76 -1.26 -0.20 115.29 125.60 3hwp s HIS 214 Ca -0.07 -0.86 0.02 0.00 -0.15 0.00 0.00 55.06 54.00 3hwp s HIS 214 Cb -0.06 -1.03 0.01 0.00 1.11 0.00 0.00 32.58 32.61 3hwp s HIS 214 CO -0.18 -0.64 -0.22 -0.51 -0.85 0.00 0.00 174.74 172.35 3hwp s LEU 215 N 1.89 2.11 -0.04 0.89 1.43 0.05 -1.62 118.68 123.40 3hwp s LEU 215 Ca 0.01 -0.61 0.05 0.00 -1.03 0.00 0.00 54.13 52.56 3hwp s LEU 215 Cb -0.17 -1.45 -0.02 0.00 0.03 0.00 0.00 46.19 44.58 3hwp s LEU 215 CO -0.12 0.08 -0.19 0.72 0.23 0.00 0.00 176.35 177.07 3hwp s PHE 216 N 0.83 2.56 -0.13 0.29 -0.71 -0.57 -0.89 117.98 119.36 3hwp s PHE 216 Ca -0.07 -0.29 -0.07 0.00 -1.04 0.00 0.00 56.93 55.47 3hwp s PHE 216 Cb -0.15 -1.59 0.05 0.00 -1.21 0.00 0.00 43.02 40.12 3hwp s PHE 216 CO -0.02 0.08 0.30 0.21 -1.34 0.00 0.00 175.22 174.45 3hwp s LYS 217 N -0.65 0.27 0.48 1.99 2.20 -0.86 -0.98 119.74 122.19 3hwp s LYS 217 Ca 0.10 0.63 -0.21 0.00 -0.36 0.00 0.00 55.97 56.13 3hwp s LYS 217 Cb -0.11 -0.08 -0.08 0.00 -1.51 0.00 0.00 37.83 36.05 3hwp s LYS 217 CO 0.00 -0.17 1.08 -1.21 -0.36 0.00 0.00 175.35 174.69 3hwp s GLU 218 N 1.36 3.76 0.38 4.03 2.02 -1.26 -1.96 118.70 127.03 3hwp s GLU 218 Ca -0.09 1.50 0.04 0.00 0.02 0.00 0.00 54.97 56.44 3hwp s GLU 218 Cb -0.10 -2.19 -0.06 0.00 0.10 0.00 0.00 34.13 31.88 3hwp s GLU 218 CO -0.10 -0.49 0.05 0.14 0.02 0.00 0.00 175.26 174.88 3hwp s VAL 219 N -1.82 1.29 0.49 2.63 -7.23 0.44 -4.92 120.40 111.29 3hwp s VAL 219 Ca 0.66 -2.00 0.14 0.00 -1.81 0.00 0.00 61.98 58.97 3hwp s VAL 219 Cb -0.21 -2.70 0.27 0.00 0.56 0.00 0.00 36.38 34.31 3hwp s VAL 219 CO 0.25 0.00 2.12 -0.65 -0.31 0.00 0.00 175.10 176.51 3hwp h PRO 220 N 1.89 0.14 -0.02 4.82 0.11 -1.99 -2.46 132.00 134.48 3hwp h PRO 220 Ca -0.41 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3hwp h PRO 220 Cb 1.26 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3hwp h PRO 220 CO 0.71 0.09 -0.03 -0.25 -0.21 0.00 0.00 178.00 178.31 3hwp n ASP 221 N -4.52 2.28 0.00 -2.05 8.00 -1.26 -4.99 116.55 114.01 3hwp n ASP 221 Ca -0.01 -1.74 0.00 0.00 0.71 0.00 0.00 54.79 53.75 3hwp n ASP 221 Cb 0.10 0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 3hwp n ASP 221 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hwp n GLY 222 N 1.28 -0.80 2.89 0.44 0.00 -0.93 -0.12 105.19 107.96 3hwp n GLY 222 Ca 0.16 0.28 -0.12 0.00 0.00 0.00 0.00 46.02 46.33 3hwp n GLY 222 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hwp s TYR 224 N 0.00 -0.03 -0.26 1.61 1.51 -0.83 -0.42 117.35 118.93 3hwp s TYR 224 Ca 0.00 0.09 -0.04 0.00 -1.01 0.00 0.00 57.07 56.11 3hwp s TYR 224 Cb 0.00 -0.01 0.01 0.00 -0.11 0.00 0.00 41.96 41.85 3hwp s TYR 224 CO 0.00 -0.02 0.00 -1.17 -1.11 0.00 0.00 175.55 173.25 3hwp s LEU 225 N 0.10 3.37 -0.19 -1.29 0.20 -0.02 -2.03 118.68 118.80 3hwp s LEU 225 Ca -0.01 -0.64 -0.13 0.00 0.69 0.00 0.00 54.13 54.04 3hwp s LEU 225 Cb -0.01 -1.78 -0.05 0.00 -0.43 0.00 0.00 46.19 43.92 3hwp s LEU 225 CO -0.00 -0.12 0.25 -0.89 -0.29 0.00 0.00 176.35 175.31 3hwp s THR 226 N 1.45 5.32 0.04 3.68 2.01 -0.07 -1.14 115.64 126.92 3hwp s THR 226 Ca 0.03 0.43 0.04 0.00 0.31 0.00 0.00 61.69 62.51 3hwp s THR 226 Cb -0.16 -3.59 -0.02 0.00 0.01 0.00 0.00 72.50 68.73 3hwp s THR 226 CO -0.01 0.36 -0.13 -0.44 -0.69 0.00 0.00 174.62 173.71 3hwp s SER 227 N 0.70 1.52 -0.03 3.53 0.01 -0.48 -0.77 113.70 118.18 3hwp s SER 227 Ca 0.13 -0.46 0.01 0.00 1.31 0.00 0.00 55.95 56.94 3hwp s SER 227 Cb -0.13 -0.08 0.02 0.00 0.21 0.00 0.00 66.02 66.04 3hwp s SER 227 CO 0.04 -0.00 -0.01 -0.13 0.41 0.00 0.00 173.24 173.54 3hwp s ARG 228 N -1.18 0.38 -0.10 12.44 1.81 0.71 -2.07 118.95 130.94 3hwp s ARG 228 Ca 0.00 0.01 0.03 0.00 -1.72 0.00 0.00 55.73 54.04 3hwp s ARG 228 Cb -0.08 -0.49 -0.01 0.00 -0.45 0.00 0.00 34.95 33.92 3hwp s ARG 228 CO 0.01 -0.08 -0.20 0.71 -0.68 0.00 0.00 175.30 175.06 3hwp s TYR 229 N 0.77 2.64 -0.12 -0.53 1.51 0.10 -0.97 117.35 120.74 3hwp s TYR 229 Ca -0.08 -0.84 0.00 0.00 -1.01 0.00 0.00 57.07 55.14 3hwp s TYR 229 Cb -0.11 -1.74 0.02 0.00 -0.11 0.00 0.00 41.96 40.02 3hwp s TYR 229 CO -0.01 -0.30 -0.11 -1.58 -1.11 0.00 0.00 175.55 172.44 3hwp s TRP 230 N 0.25 1.74 -0.10 2.71 0.51 -0.55 -1.37 118.94 122.13 3hwp s TRP 230 Ca -0.13 -0.89 -0.01 0.00 -2.12 0.00 0.00 56.10 52.95 3hwp s TRP 230 Cb -0.17 -1.35 0.03 0.00 -0.81 0.00 0.00 33.47 31.17 3hwp s TRP 230 CO 0.07 -0.53 -0.04 0.08 -0.51 0.00 0.00 176.95 176.01 3hwp s VAL 231 N 1.46 0.78 -2.80 4.03 1.01 -0.59 -1.84 120.40 122.46 3hwp s VAL 231 Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.83 3hwp s VAL 231 Cb -0.13 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.37 3hwp s VAL 231 CO -0.07 0.30 0.00 0.61 0.00 0.00 0.00 175.10 175.94 3hwp n GLY 232 N 5.02 0.22 3.28 4.51 0.00 0.12 -0.05 105.19 118.30 3hwp n GLY 232 Ca -0.10 -1.16 -0.28 0.00 0.00 0.00 0.00 46.02 44.48 3hwp n GLY 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hwp s ALA 233 N -1.00 1.94 -0.20 4.61 0.00 -0.55 -4.55 121.76 122.01 3hwp s ALA 233 Ca 0.00 -1.11 -0.27 0.00 0.00 0.00 0.00 51.96 50.58 3hwp s ALA 233 Cb 0.00 -0.41 0.08 0.00 0.00 0.00 0.00 23.12 22.79 3hwp s ALA 233 CO 0.00 0.45 0.76 -1.58 0.00 0.00 0.00 175.76 175.39 3hwp s HIS 234 N -0.75 -0.70 0.55 0.00 5.04 -1.26 -3.64 115.29 114.52 3hwp s HIS 234 Ca 0.09 1.56 0.23 0.00 -1.54 0.00 0.00 55.06 55.39 3hwp s HIS 234 Cb -0.09 0.33 1.53 0.00 0.04 0.00 0.00 32.58 34.38 3hwp s HIS 234 CO 0.01 -0.43 2.19 -1.35 -2.34 0.00 0.00 174.74 172.83 3hwp h PRO 235 N 4.23 0.00 -2.58 2.88 0.11 -1.94 -3.35 132.00 131.34 3hwp h PRO 235 Ca -0.28 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.72 3hwp h PRO 235 Cb 1.16 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 3hwp h PRO 235 CO 0.16 0.01 0.23 -1.13 -0.21 0.00 0.00 178.00 177.06 3hwp n SER 236 N -4.19 2.66 0.00 -2.05 3.41 -1.26 -4.69 113.62 107.50 3hwp n SER 236 Ca -0.03 -2.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.59 3hwp n SER 236 Cb 0.10 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.34 3hwp n SER 236 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hwp n ALA 238 N 2.87 0.00 0.66 7.33 0.00 -1.26 -4.79 120.51 125.31 3hwp n ALA 238 Ca 0.22 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.73 3hwp n ALA 238 Cb 0.42 -0.04 0.36 0.00 0.00 0.00 0.00 19.45 20.20 3hwp n ALA 238 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3hwp n ARG 239 N -1.39 0.15 -4.03 0.00 1.85 -1.26 -4.54 116.66 107.43 3hwp n ARG 239 Ca 0.00 0.17 -0.35 0.00 -1.00 0.00 0.00 57.85 56.67 3hwp n ARG 239 Cb 0.00 -1.50 -0.12 0.00 -1.05 0.00 0.00 32.46 29.79 3hwp n ARG 239 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3hwp s PHE 240 N -2.71 3.06 0.24 2.89 0.08 -1.26 -5.06 117.98 115.21 3hwp s PHE 240 Ca 0.12 -0.41 -0.31 0.00 0.12 0.00 0.00 56.93 56.45 3hwp s PHE 240 Cb 0.10 -2.10 -0.13 0.00 -0.57 0.00 0.00 43.02 40.32 3hwp s PHE 240 CO 0.25 -0.22 1.52 -2.30 -0.10 0.00 0.00 175.22 174.37 3hwp n PRO 241 N 4.28 2.33 0.00 0.24 -0.02 -1.26 -1.87 135.00 138.69 3hwp n PRO 241 Ca -0.17 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 3hwp n PRO 241 Cb 0.52 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 3hwp n PRO 241 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hwp n GLY 242 N 2.55 3.20 0.28 -1.23 0.00 -1.26 -4.53 105.19 104.20 3hwp n GLY 242 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.27 3hwp n GLY 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hwp h ALA 243 N 0.00 1.55 0.00 4.61 0.00 -1.61 -1.25 119.26 122.56 3hwp h ALA 243 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hwp h ALA 243 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3hwp h ALA 243 CO 0.00 0.05 0.00 1.05 0.00 0.00 0.00 179.25 180.35 3hwp h GLU 244 N 0.00 0.00 -0.01 0.00 9.09 -1.89 -1.18 114.58 120.60 3hwp h GLU 244 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3hwp h GLU 244 Cb 0.10 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.20 3hwp h GLU 244 CO 0.01 0.00 -0.08 1.63 0.05 0.00 0.00 179.01 180.62 3hwp n LYS 245 N -2.60 1.23 -0.11 1.06 5.02 -0.47 -4.34 118.16 117.94 3hwp n LYS 245 Ca -0.01 -0.61 -0.10 0.00 -2.02 0.00 0.00 58.31 55.57 3hwp n LYS 245 Cb 0.13 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.63 3hwp n LYS 245 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hwp h ALA 246 N 4.03 0.43 -0.81 7.82 0.00 -1.37 -2.40 119.26 126.96 3hwp h ALA 246 Ca 0.00 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.83 3hwp h ALA 246 Cb 0.42 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 3hwp h ALA 246 CO 0.00 0.04 0.50 0.00 0.00 0.00 0.00 179.25 179.79 3hwp h ALA 247 N 0.97 1.11 -0.16 0.00 0.00 -1.80 0.16 119.26 119.54 3hwp h ALA 247 Ca 0.11 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 3hwp h ALA 247 Cb 0.20 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3hwp h ALA 247 CO -0.01 0.25 -0.23 0.77 0.00 0.00 0.00 179.25 180.03 3hwp h SER 248 N 0.93 0.48 -0.44 0.00 0.02 -1.84 -2.07 113.55 110.63 3hwp h SER 248 Ca 0.35 -0.52 0.05 0.00 -0.84 0.00 0.00 61.79 60.83 3hwp h SER 248 Cb 0.14 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.50 3hwp h SER 248 CO -0.16 0.91 0.18 0.25 -1.14 0.00 0.00 176.83 176.86 3hwp h LEU 249 N 0.07 0.21 0.37 5.07 5.85 -0.92 0.51 115.31 126.47 3hwp h LEU 249 Ca 0.02 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 3hwp h LEU 249 Cb 0.80 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 3hwp h LEU 249 CO 0.05 0.16 -0.24 -0.07 -0.34 0.00 0.00 178.44 178.00 3hwp h LEU 250 N 0.36 -0.61 -0.59 2.25 3.38 -0.67 0.01 115.31 119.43 3hwp h LEU 250 Ca 0.20 0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.30 3hwp h LEU 250 Cb 0.17 0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.04 3hwp h LEU 250 CO -0.19 -0.38 0.21 0.11 0.09 0.00 0.00 178.44 178.29 3hwp h LYS 251 N -0.59 0.38 0.00 1.13 1.57 -1.11 -1.97 116.57 115.98 3hwp h LYS 251 Ca -0.04 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 3hwp h LYS 251 Cb 0.50 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 3hwp h LYS 251 CO 0.03 0.25 -0.10 0.93 -0.57 0.00 0.00 179.45 179.99 3hwp h GLU 252 N 0.39 0.00 0.00 3.15 5.08 -0.65 -3.41 114.58 119.15 3hwp h GLU 252 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 3hwp h GLU 252 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3hwp h GLU 252 CO -0.30 0.10 0.00 0.09 -1.00 0.00 0.00 179.01 177.90 3hwp n ASN 253 N -3.22 0.00 -0.55 1.42 5.03 -0.03 -4.99 115.26 112.92 3hwp n ASN 253 Ca 0.01 -0.35 0.08 0.00 0.87 0.00 0.00 54.58 55.19 3hwp n ASN 253 Cb 0.39 0.00 0.28 0.00 -1.02 0.00 0.00 39.78 39.43 3hwp n ASN 253 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hwp n GLY 254 N 5.00 0.33 3.37 7.41 0.00 -1.24 -4.85 105.19 115.21 3hwp n GLY 254 Ca 0.00 -0.37 -0.44 0.00 0.00 0.00 0.00 46.02 45.21 3hwp n GLY 254 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hwp n PHE 255 N 0.33 4.58 -2.11 1.61 3.01 -0.87 -4.81 117.46 119.20 3hwp n PHE 255 Ca 0.14 -3.18 -0.08 0.00 1.01 0.00 0.00 57.45 55.34 3hwp n PHE 255 Cb 0.29 -2.24 0.04 0.00 -0.01 0.00 0.00 39.48 37.57 3hwp n PHE 255 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hwp n GLY 256 N 4.10 0.26 0.27 1.37 0.00 -1.26 -4.38 105.19 105.54 3hwp n GLY 256 Ca 0.40 -1.91 -0.11 0.00 0.00 0.00 0.00 46.02 44.40 3hwp n GLY 256 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hwp h GLU 257 N 0.00 -0.34 -0.65 1.61 5.08 -1.97 -1.41 114.58 116.90 3hwp h GLU 257 Ca -0.11 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.33 3hwp h GLU 257 Cb 0.39 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.66 3hwp h GLU 257 CO 0.11 -0.23 0.35 0.00 -1.00 0.00 0.00 179.01 178.25 3hwp h ALA 258 N 0.52 0.86 -0.11 3.43 0.00 -1.97 -0.27 119.26 121.72 3hwp h ALA 258 Ca 0.07 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3hwp h ALA 258 Cb 0.45 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3hwp h ALA 258 CO -0.23 0.02 -0.30 0.93 0.00 0.00 0.00 179.25 179.68 3hwp h GLU 259 N 0.65 0.20 0.00 0.00 3.07 -1.80 -2.32 114.58 114.38 3hwp h GLU 259 Ca 0.29 -0.07 -0.19 0.00 -0.50 0.00 0.00 59.36 58.89 3hwp h GLU 259 Cb 0.19 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.06 3hwp h GLU 259 CO -0.18 0.49 -0.93 -0.07 -1.40 0.00 0.00 179.01 176.91 3hwp h LEU 260 N 0.18 0.00 -0.39 1.33 3.38 -0.53 -2.01 115.31 117.27 3hwp h LEU 260 Ca 0.03 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 3hwp h LEU 260 Cb 0.63 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3hwp h LEU 260 CO 0.05 0.89 -0.23 -0.08 0.09 0.00 0.00 178.44 179.15 3hwp h GLU 261 N 0.00 0.84 -0.03 1.13 4.81 -0.87 -1.30 114.58 119.16 3hwp h GLU 261 Ca -0.03 -0.39 0.02 0.00 -0.13 0.00 0.00 59.36 58.83 3hwp h GLU 261 Cb 1.70 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 31.04 3hwp h GLU 261 CO 0.11 1.03 -0.08 1.15 -0.73 0.00 0.00 179.01 180.49 3hwp h THR 262 N 0.65 0.79 -0.68 0.32 2.02 -1.45 -2.59 112.91 111.96 3hwp h THR 262 Ca 0.08 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.31 3hwp h THR 262 Cb 0.80 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.96 3hwp h THR 262 CO 0.07 0.00 0.45 -0.07 0.37 0.00 0.00 175.52 176.34 3hwp h LEU 263 N -0.12 0.65 -0.21 2.58 3.38 -1.26 -0.89 115.31 119.43 3hwp h LEU 263 Ca 0.04 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.03 3hwp h LEU 263 Cb 0.18 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3hwp h LEU 263 CO -0.11 0.43 0.07 0.00 0.09 0.00 0.00 178.44 178.92 3hwp h ALA 264 N 1.62 0.23 -0.47 1.53 0.00 -0.84 0.29 119.26 121.62 3hwp h ALA 264 Ca 0.29 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.15 3hwp h ALA 264 Cb 0.19 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3hwp h ALA 264 CO -0.09 -0.35 0.03 -0.92 0.00 0.00 0.00 179.25 177.92 3hwp h TYR 265 N 0.17 0.87 -0.44 0.00 3.20 -1.22 -1.79 116.97 117.76 3hwp h TYR 265 Ca 0.09 -0.14 -0.07 0.00 3.14 0.00 0.00 58.73 61.75 3hwp h TYR 265 Cb 0.06 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.08 3hwp h TYR 265 CO -0.12 0.83 -0.02 0.93 -1.64 0.00 0.00 178.16 178.13 3hwp h GLU 266 N 0.66 0.73 -0.62 1.82 4.39 -0.81 -1.23 114.58 119.51 3hwp h GLU 266 Ca 0.14 -0.20 -0.09 0.00 0.34 0.00 0.00 59.36 59.55 3hwp h GLU 266 Cb 0.46 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 3hwp h GLU 266 CO 0.02 0.76 0.05 0.74 -1.16 0.00 0.00 179.01 179.42 3hwp h PHE 267 N 0.68 1.13 -0.53 4.33 -1.00 -0.31 -0.79 116.94 120.45 3hwp h PHE 267 Ca 0.13 -0.17 -0.02 0.00 2.81 0.00 0.00 57.97 60.72 3hwp h PHE 267 Cb 0.46 -0.30 -0.02 0.00 3.61 0.00 0.00 35.95 39.69 3hwp h PHE 267 CO 0.02 0.97 0.24 0.00 -1.61 0.00 0.00 178.31 177.93 3hwp h ALA 268 N 1.07 0.69 -0.21 2.45 0.00 -0.72 0.12 119.26 122.66 3hwp h ALA 268 Ca 0.18 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3hwp h ALA 268 Cb 0.49 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3hwp h ALA 268 CO 0.02 0.27 0.09 0.28 0.00 0.00 0.00 179.25 179.91 3hwp h VAL 269 N 0.71 1.15 0.23 0.00 2.07 -1.09 -3.25 116.25 116.08 3hwp h VAL 269 Ca 0.18 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.25 3hwp h VAL 269 Cb 0.15 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 3hwp h VAL 269 CO -0.02 0.15 -0.21 -0.74 0.02 0.00 0.00 177.57 176.77 3hwp h HIS 270 N 0.20 -0.54 0.00 1.57 6.17 -0.79 -0.22 115.15 121.54 3hwp h HIS 270 Ca 0.07 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.15 3hwp h HIS 270 Cb 0.15 0.21 0.00 0.00 2.52 0.00 0.00 27.41 30.29 3hwp h HIS 270 CO -0.02 -0.31 0.00 -3.47 0.71 0.00 0.00 177.93 174.84 3hwp n ASP 271 N -5.33 0.00 0.00 3.26 2.03 0.40 -1.11 116.55 115.80 3hwp n ASP 271 Ca -0.08 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.23 3hwp n ASP 271 Cb 0.24 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.64 3hwp n ASP 271 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hwp h GLU 274 N 0.00 0.76 -0.00 0.00 4.11 -1.36 -1.50 114.58 116.58 3hwp h GLU 274 Ca 0.00 -0.22 -0.22 0.00 0.07 0.00 0.00 59.36 58.99 3hwp h GLU 274 Cb 0.00 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.17 3hwp h GLU 274 CO 0.00 0.80 -0.92 0.74 0.07 0.00 0.00 179.01 179.70 3hwp h PHE 275 N 0.62 0.57 -0.31 2.06 0.04 -1.64 -0.19 116.94 118.09 3hwp h PHE 275 Ca 0.13 -0.31 -0.12 0.00 2.80 0.00 0.00 57.97 60.47 3hwp h PHE 275 Cb 0.43 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.50 3hwp h PHE 275 CO 0.03 1.12 -0.30 -0.91 -0.60 0.00 0.00 178.31 177.66 3hwp h ASN 276 N 0.22 0.67 -0.23 2.17 2.35 -1.77 -1.11 115.58 117.89 3hwp h ASN 276 Ca -0.07 -0.26 -0.04 0.00 -0.55 0.00 0.00 56.30 55.38 3hwp h ASN 276 Cb 1.55 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 39.73 3hwp h ASN 276 CO 0.16 0.93 -0.03 -0.74 -1.65 0.00 0.00 177.43 176.10 3hwp h HIS 277 N 0.56 0.46 -0.49 1.19 2.76 -1.18 -2.36 115.15 116.09 3hwp h HIS 277 Ca 0.07 -0.09 0.07 0.00 -2.20 0.00 0.00 60.37 58.22 3hwp h HIS 277 Cb 0.79 -0.12 -0.06 0.00 1.55 0.00 0.00 27.41 29.57 3hwp h HIS 277 CO 0.04 0.62 0.17 1.25 -1.30 0.00 0.00 177.93 178.71 3hwp h LEU 278 N 0.17 0.16 -1.85 0.26 5.85 -0.98 -1.84 115.31 117.07 3hwp h LEU 278 Ca 0.06 0.06 0.11 0.00 0.84 0.00 0.00 57.88 58.95 3hwp h LEU 278 Cb 0.46 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 3hwp h LEU 278 CO 0.02 0.12 0.34 0.00 -0.34 0.00 0.00 178.44 178.57 3hwp h ALA 279 N 1.33 2.24 0.00 1.25 0.00 -0.96 -0.28 119.26 122.84 3hwp h ALA 279 Ca 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3hwp h ALA 279 Cb 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3hwp h ALA 279 CO -0.25 -0.36 0.00 0.66 0.00 0.00 0.00 179.25 179.30 3hwp h SER 280 N 0.16 0.00 0.00 0.00 4.64 -0.80 -3.35 113.55 114.21 3hwp h SER 280 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3hwp h SER 280 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 3hwp h SER 280 CO -0.03 0.00 -0.11 2.22 -0.87 0.00 0.00 176.83 178.03 3hwp n PHE 281 N -2.99 0.00 -0.13 4.77 1.16 -0.87 -4.91 117.46 114.49 3hwp n PHE 281 Ca 0.02 0.00 -0.04 0.00 -1.87 0.00 0.00 57.45 55.56 3hwp n PHE 281 Cb 0.35 0.00 0.04 0.00 -1.61 0.00 0.00 39.48 38.26 3hwp n PHE 281 CO 0.00 0.00 0.00 1.25 -1.87 0.00 0.00 176.76 176.14 3hwp h LEU 282 N 0.00 0.02 -0.98 5.98 5.85 -1.20 0.98 115.31 125.97 3hwp h LEU 282 Ca 0.00 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 3hwp h LEU 282 Cb 0.00 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 3hwp h LEU 282 CO 0.00 0.04 0.55 -0.65 -0.34 0.00 0.00 178.44 178.04 3hwp h PRO 283 N 0.22 1.26 -0.28 5.25 0.11 -1.85 0.11 132.00 136.81 3hwp h PRO 283 Ca 0.21 -0.12 -0.03 0.00 0.11 0.00 0.00 66.00 66.17 3hwp h PRO 283 Cb 0.26 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 3hwp h PRO 283 CO -0.27 0.88 0.06 -0.44 -0.21 0.00 0.00 178.00 178.02 3hwp h ASP 284 N 1.27 0.44 -0.53 -2.05 3.32 -1.72 -2.14 116.42 115.01 3hwp h ASP 284 Ca 0.33 -0.24 0.02 0.00 0.02 0.00 0.00 57.03 57.16 3hwp h ASP 284 Cb -0.04 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 3hwp h ASP 284 CO -0.06 0.57 0.32 0.25 -1.72 0.00 0.00 179.24 178.60 3hwp h LEU 285 N 0.29 0.53 -0.63 1.55 5.85 -0.47 -1.41 115.31 121.02 3hwp h LEU 285 Ca 0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3hwp h LEU 285 Cb 0.31 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 3hwp h LEU 285 CO 0.00 0.37 0.40 0.22 -0.34 0.00 0.00 178.44 179.10 3hwp h TYR 286 N 0.65 0.80 -0.67 1.25 3.20 -0.73 0.29 116.97 121.76 3hwp h TYR 286 Ca 0.21 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.06 3hwp h TYR 286 Cb 0.01 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 37.98 3hwp h TYR 286 CO -0.06 0.53 0.30 0.00 -1.64 0.00 0.00 178.16 177.28 3hwp h ARG 287 N 0.85 0.98 0.06 1.82 3.08 -1.08 0.49 114.38 120.58 3hwp h ARG 287 Ca 0.23 -0.16 -0.25 0.00 0.07 0.00 0.00 59.98 59.87 3hwp h ARG 287 Cb -0.06 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.82 3hwp h ARG 287 CO -0.05 0.79 -1.08 1.49 -1.07 0.00 0.00 179.97 180.06 3hwp h GLU 288 N 0.93 0.34 -0.00 0.04 4.81 -0.89 -3.39 114.58 116.42 3hwp h GLU 288 Ca 0.23 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 3hwp h GLU 288 Cb 0.16 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.68 3hwp h GLU 288 CO -0.02 1.15 0.00 1.19 -0.73 0.00 0.00 179.01 180.60 3hwp n PHE 289 N -3.65 0.00 -0.31 0.92 3.72 0.98 -4.44 117.46 114.69 3hwp n PHE 289 Ca -0.07 -0.02 0.23 0.00 -0.05 0.00 0.00 57.45 57.54 3hwp n PHE 289 Cb 0.92 -0.00 0.53 0.00 -0.94 0.00 0.00 39.48 39.99 3hwp n PHE 289 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3hwp h GLY 290 N 0.11 1.05 0.00 1.37 0.00 -0.14 -3.48 103.07 101.99 3hwp h GLY 290 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.14 3hwp h GLY 290 CO 0.00 -0.10 0.00 -0.37 0.00 0.00 0.00 176.54 176.07