#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w4o s GLU 2 N 0.00 2.81 0.65 1.64 2.12 -1.26 -5.12 118.70 119.54 1w4o s GLU 2 Ca 0.00 -0.78 -0.12 0.00 0.36 0.00 0.00 54.97 54.43 1w4o s GLU 2 Cb 0.00 -2.26 -0.02 0.00 0.26 0.00 0.00 34.13 32.11 1w4o s GLU 2 CO 0.00 0.01 1.04 0.95 -0.54 0.00 0.00 175.26 176.72 1w4o s THR 3 N 0.77 4.28 0.23 -1.70 -4.23 -1.26 -4.86 115.64 108.87 1w4o s THR 3 Ca -0.09 0.78 -0.07 0.00 -1.18 0.00 0.00 61.69 61.13 1w4o s THR 3 Cb -0.16 -3.58 0.21 0.00 1.34 0.00 0.00 72.50 70.31 1w4o s THR 3 CO 0.00 -0.92 1.89 0.00 -0.54 0.00 0.00 174.62 175.05 1w4o h ALA 4 N -0.40 1.13 -0.72 3.99 0.00 -1.97 -0.09 119.26 121.21 1w4o h ALA 4 Ca -0.44 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 1w4o h ALA 4 Cb 1.20 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1w4o h ALA 4 CO 0.59 0.46 0.43 0.00 0.00 0.00 0.00 179.25 180.73 1w4o h ALA 5 N 1.34 0.92 -0.52 0.00 0.00 -1.86 -0.48 119.26 118.66 1w4o h ALA 5 Ca 0.34 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 1w4o h ALA 5 Cb -0.06 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 1w4o h ALA 5 CO -0.09 0.39 0.04 0.00 0.00 0.00 0.00 179.25 179.59 1w4o h ALA 6 N 1.23 0.69 -0.87 0.00 0.00 -1.73 -2.28 119.26 116.30 1w4o h ALA 6 Ca 0.26 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1w4o h ALA 6 Cb -0.03 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 1w4o h ALA 6 CO -0.05 0.47 0.49 -0.22 0.00 0.00 0.00 179.25 179.94 1w4o h LYS 7 N 0.76 1.20 -0.67 0.00 3.64 -0.65 -0.20 116.57 120.65 1w4o h LYS 7 Ca 0.15 -0.13 0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1w4o h LYS 7 Cb 0.47 -0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 32.02 1w4o h LYS 7 CO 0.02 0.87 0.44 0.35 -2.27 0.00 0.00 179.45 178.86 1w4o h PHE 8 N 1.21 0.82 -0.57 1.91 3.57 -0.81 0.43 116.94 123.50 1w4o h PHE 8 Ca 0.31 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.73 1w4o h PHE 8 Cb 0.01 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.45 1w4o h PHE 8 CO 0.01 0.51 -0.04 0.93 -2.23 0.00 0.00 178.31 177.48 1w4o h GLU 9 N 0.88 1.02 -0.33 1.11 5.08 -0.79 0.41 114.58 121.97 1w4o h GLU 9 Ca 0.25 -0.34 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 1w4o h GLU 9 Cb -0.07 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1w4o h GLU 9 CO -0.07 1.02 0.02 -0.09 -1.00 0.00 0.00 179.01 178.89 1w4o h ARG 10 N 0.93 0.57 0.04 2.33 2.43 -0.68 -2.70 114.38 117.28 1w4o h ARG 10 Ca 0.16 -0.17 -0.24 0.00 -0.81 0.00 0.00 59.98 58.92 1w4o h ARG 10 Cb 0.59 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 1w4o h ARG 10 CO 0.04 0.68 -1.17 1.96 -1.51 0.00 0.00 179.97 179.97 1w4o h GLN 11 N 0.38 0.08 0.00 0.20 4.20 -0.77 -3.42 115.11 115.77 1w4o h GLN 11 Ca 0.10 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1w4o h GLN 11 Cb 0.41 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1w4o h GLN 11 CO 0.01 1.00 0.00 0.72 -0.67 0.00 0.00 178.83 179.90 1w4o n HIS 12 N -3.37 0.00 -3.95 2.96 8.25 0.14 -4.65 115.22 114.61 1w4o n HIS 12 Ca -0.05 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.06 1w4o n HIS 12 Cb 0.98 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.98 1w4o n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1w4o s MET 13 N -0.25 3.91 -0.44 -0.41 -1.94 -1.02 0.36 119.30 119.51 1w4o s MET 13 Ca 0.00 -0.37 0.05 0.00 -1.71 0.00 0.00 55.69 53.66 1w4o s MET 13 Cb 0.00 -3.26 0.19 0.00 2.01 0.00 0.00 34.83 33.77 1w4o s MET 13 CO 0.00 0.16 0.48 -3.47 -0.01 0.00 0.00 175.02 172.18 1w4o n ASP 14 N 3.88 -1.19 -0.03 3.03 2.03 -0.81 -4.85 116.55 118.62 1w4o n ASP 14 Ca -0.16 -2.59 0.15 0.00 0.52 0.00 0.00 54.79 52.71 1w4o n ASP 14 Cb 0.52 0.08 0.83 0.00 -0.72 0.00 0.00 41.12 41.83 1w4o n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1w4o n SER 15 N 2.59 0.10 -0.19 1.67 7.64 -1.26 -3.94 113.62 120.23 1w4o n SER 15 Ca 0.25 -0.65 -0.10 0.00 1.01 0.00 0.00 58.87 59.37 1w4o n SER 15 Cb 0.51 -0.11 0.01 0.00 -1.01 0.00 0.00 64.21 63.61 1w4o n SER 15 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1w4o h SER 16 N 0.14 1.03 -3.45 6.43 4.64 -1.93 -3.45 113.55 116.96 1w4o h SER 16 Ca 0.00 -0.35 -0.66 0.00 -0.47 0.00 0.00 61.79 60.31 1w4o h SER 16 Cb 0.16 -0.28 -0.19 0.00 -0.31 0.00 0.00 62.40 61.78 1w4o h SER 16 CO 0.00 1.14 -0.82 0.42 -0.87 0.00 0.00 176.83 176.70 1w4o s THR 17 N -4.86 2.54 -1.06 2.95 -4.23 -1.25 -5.02 115.64 104.71 1w4o s THR 17 Ca -0.12 -1.81 0.27 0.00 -1.18 0.00 0.00 61.69 58.85 1w4o s THR 17 Cb 0.13 -2.19 0.26 0.00 1.34 0.00 0.00 72.50 72.03 1w4o s THR 17 CO 0.86 -0.02 1.87 -1.54 -0.54 0.00 0.00 174.62 175.24 1w4o n SER 18 N 0.49 0.00 -2.94 3.99 3.41 -1.26 -4.71 113.62 112.61 1w4o n SER 18 Ca -0.14 0.42 0.02 0.00 -0.26 0.00 0.00 58.87 58.91 1w4o n SER 18 Cb 0.55 -0.47 0.01 0.00 -0.26 0.00 0.00 64.21 64.03 1w4o n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1w4o n ALA 19 N -1.47 -2.47 -2.34 7.33 0.00 -1.26 -4.87 120.51 115.42 1w4o n ALA 19 Ca 0.07 -0.54 -0.40 0.00 0.00 0.00 0.00 53.44 52.58 1w4o n ALA 19 Cb 0.30 0.09 -0.05 0.00 0.00 0.00 0.00 19.45 19.79 1w4o n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1w4o s ALA 20 N -1.68 3.41 0.00 0.00 0.00 -1.26 -5.05 121.76 117.18 1w4o s ALA 20 Ca 0.21 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.41 1w4o s ALA 20 Cb -0.00 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.18 1w4o s ALA 20 CO -0.01 0.13 0.00 0.43 0.00 0.00 0.00 175.76 176.32 1w4o n SER 21 N 2.55 0.00 -4.67 0.00 7.64 -1.26 -5.00 113.62 112.88 1w4o n SER 21 Ca -0.04 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.55 1w4o n SER 21 Cb 0.50 0.00 0.17 0.00 -1.01 0.00 0.00 64.21 63.87 1w4o n SER 21 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1w4o s SER 22 N -1.00 2.72 0.00 6.43 1.04 -1.26 -4.88 113.70 116.75 1w4o s SER 22 Ca 0.00 1.30 0.12 0.00 0.48 0.00 0.00 55.95 57.85 1w4o s SER 22 Cb 0.00 -1.97 0.75 0.00 0.10 0.00 0.00 66.02 64.89 1w4o s SER 22 CO 0.00 -3.09 1.21 -1.20 0.98 0.00 0.00 173.24 171.14 1w4o n SER 23 N -4.16 0.00 -0.73 7.02 7.64 -1.26 -2.01 113.62 120.13 1w4o n SER 23 Ca 0.06 -0.81 0.07 0.00 1.01 0.00 0.00 58.87 59.20 1w4o n SER 23 Cb 0.56 0.00 0.15 0.00 -1.01 0.00 0.00 64.21 63.92 1w4o n SER 23 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1w4o n ASN 24 N -0.83 2.87 -0.13 6.43 3.02 -1.26 -4.43 115.26 120.94 1w4o n ASN 24 Ca 0.09 -1.88 -0.04 0.00 -0.03 0.00 0.00 54.58 52.72 1w4o n ASN 24 Cb 0.04 -0.21 0.02 0.00 -0.61 0.00 0.00 39.78 39.03 1w4o n ASN 24 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1w4o h TYR 25 N 2.56 -0.19 -0.68 3.10 3.20 -1.75 -2.14 116.97 121.07 1w4o h TYR 25 Ca 0.00 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.85 1w4o h TYR 25 Cb 0.73 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 39.12 1w4o h TYR 25 CO 0.21 -0.17 0.21 0.00 -1.64 0.00 0.00 178.16 176.77 1w4o h ASN 27 N 1.00 0.99 -0.01 0.00 2.35 -1.73 0.68 115.58 118.86 1w4o h ASN 27 Ca 0.22 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.92 1w4o h ASN 27 Cb 0.31 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1w4o h ASN 27 CO -0.01 0.73 -0.06 -0.61 -1.65 0.00 0.00 177.43 175.83 1w4o h GLN 28 N 1.16 0.06 -0.38 0.81 -0.00 -1.24 -3.11 115.11 112.40 1w4o h GLN 28 Ca 0.31 -0.05 -0.01 0.00 -0.00 0.00 0.00 58.65 58.90 1w4o h GLN 28 Cb -0.11 0.01 -0.02 0.00 0.00 0.00 0.00 27.48 27.36 1w4o h GLN 28 CO -0.07 0.74 0.19 0.52 0.00 0.00 0.00 178.83 180.22 1w4o h MET 29 N -0.62 0.55 -0.71 1.69 2.86 -0.86 -0.84 114.93 117.01 1w4o h MET 29 Ca -0.01 -0.08 0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1w4o h MET 29 Cb 0.76 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 32.28 1w4o h MET 29 CO 0.01 0.48 0.47 0.52 1.06 0.00 0.00 176.91 179.45 1w4o h MET 30 N 0.48 0.86 -0.02 1.72 2.86 -0.99 -1.57 114.93 118.28 1w4o h MET 30 Ca 0.13 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 1w4o h MET 30 Cb 0.11 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 31.57 1w4o h MET 30 CO -0.02 0.57 -0.02 -0.22 1.06 0.00 0.00 176.91 178.28 1w4o h LYS 31 N 0.89 0.04 0.00 1.72 3.64 -1.40 0.15 116.57 121.62 1w4o h LYS 31 Ca 0.28 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 1w4o h LYS 31 Cb 0.01 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1w4o h LYS 31 CO -0.07 0.54 -0.03 0.66 -2.27 0.00 0.00 179.45 178.28 1w4o h SER 32 N -0.45 0.00 -0.61 4.20 4.64 -0.83 -1.59 113.55 118.91 1w4o h SER 32 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1w4o h SER 32 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1w4o h SER 32 CO 0.00 0.03 0.00 0.54 -0.87 0.00 0.00 176.83 176.54 1w4o n ARG 33 N -3.48 3.89 -2.41 4.77 5.12 -0.62 -4.93 116.66 119.00 1w4o n ARG 33 Ca -0.02 -2.81 -0.20 0.00 -1.93 0.00 0.00 57.85 52.88 1w4o n ARG 33 Cb 0.14 -1.96 -0.01 0.00 -1.16 0.00 0.00 32.46 29.47 1w4o n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1w4o n ASN 34 N 0.98 -5.78 -1.02 0.55 3.02 -0.60 -4.84 115.26 107.56 1w4o n ASN 34 Ca 0.25 -0.03 0.07 0.00 -0.03 0.00 0.00 54.58 54.85 1w4o n ASN 34 Cb 0.93 -4.79 0.23 0.00 -0.61 0.00 0.00 39.78 35.54 1w4o n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1w4o n LEU 35 N -2.95 2.97 -0.52 3.41 4.77 0.52 -3.72 117.00 121.49 1w4o n LEU 35 Ca -0.24 -1.49 0.02 0.00 -0.03 0.00 0.00 56.01 54.27 1w4o n LEU 35 Cb 0.68 -0.39 0.03 0.00 -2.33 0.00 0.00 43.42 41.40 1w4o n LEU 35 CO 0.29 0.63 0.28 0.35 -1.33 0.00 0.00 177.39 177.61 1w4o n THR 36 N 0.85 0.31 0.00 -5.08 -2.24 -1.23 -2.04 114.28 104.85 1w4o n THR 36 Ca 0.17 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1w4o n THR 36 Cb 0.51 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 1w4o n THR 36 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1w4o n LYS 37 N -0.19 0.00 0.14 -0.78 0.00 -1.24 -4.35 118.16 111.74 1w4o n LYS 37 Ca 0.03 0.00 0.03 0.00 0.00 0.00 0.00 58.31 58.37 1w4o n LYS 37 Cb 0.73 -0.73 0.06 0.00 0.00 0.00 0.00 35.03 35.08 1w4o n LYS 37 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 1w4o h ASP 38 N 0.00 0.00 -5.04 3.14 2.03 -1.93 -3.48 116.42 111.14 1w4o h ASP 38 Ca 0.00 0.00 0.08 0.00 -0.73 0.00 0.00 57.03 56.38 1w4o h ASP 38 Cb 0.00 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 38.44 1w4o h ASP 38 CO 0.00 0.50 0.27 0.00 -1.03 0.00 0.00 179.24 178.98 1w4o s ARG 39 N -3.02 1.65 -0.37 4.15 1.70 -1.26 -5.08 118.95 116.72 1w4o s ARG 39 Ca 0.04 -0.90 -0.23 0.00 -0.47 0.00 0.00 55.73 54.17 1w4o s ARG 39 Cb 0.08 0.58 0.01 0.00 -0.57 0.00 0.00 34.95 35.05 1w4o s ARG 39 CO 0.74 -0.76 0.77 0.00 -1.08 0.00 0.00 175.30 174.97 1w4o s LYS 41 N 3.09 4.03 0.16 0.00 2.20 -0.86 -4.89 119.74 123.46 1w4o s LYS 41 Ca 0.31 2.09 -0.16 0.00 -0.36 0.00 0.00 55.97 57.85 1w4o s LYS 41 Cb -0.13 -4.03 0.07 0.00 -1.51 0.00 0.00 37.83 32.23 1w4o s LYS 41 CO 0.17 -1.03 1.73 -1.35 -0.36 0.00 0.00 175.35 174.51 1w4o h PRO 42 N 10.22 0.17 -4.23 4.03 0.11 -1.94 -3.44 132.00 136.92 1w4o h PRO 42 Ca -0.39 -0.01 -0.34 0.00 0.11 0.00 0.00 66.00 65.37 1w4o h PRO 42 Cb 1.18 -0.04 -0.30 0.00 0.11 0.00 0.00 31.00 31.95 1w4o h PRO 42 CO 0.96 0.12 -0.76 0.08 -0.21 0.00 0.00 178.00 178.19 1w4o s VAL 43 N -6.17 0.43 -0.23 3.15 1.01 -1.26 -0.74 120.40 116.58 1w4o s VAL 43 Ca -0.13 -0.19 -0.21 0.00 0.00 0.00 0.00 61.98 61.45 1w4o s VAL 43 Cb 0.12 -0.39 0.06 0.00 0.00 0.00 0.00 36.38 36.17 1w4o s VAL 43 CO 0.71 0.14 0.62 0.21 0.00 0.00 0.00 175.10 176.78 1w4o s ASN 44 N 0.16 -0.66 -0.08 3.32 2.47 -0.46 -5.03 114.94 114.66 1w4o s ASN 44 Ca -0.01 1.26 0.02 0.00 0.42 0.00 0.00 52.86 54.54 1w4o s ASN 44 Cb -0.05 1.26 -0.02 0.00 -1.45 0.00 0.00 41.25 40.99 1w4o s ASN 44 CO -0.00 -0.22 -0.14 -0.89 -3.72 0.00 0.00 177.10 172.14 1w4o s THR 45 N 0.40 3.08 -0.09 -5.21 2.01 -1.26 -0.59 115.64 113.99 1w4o s THR 45 Ca -0.01 -0.69 0.01 0.00 0.31 0.00 0.00 61.69 61.31 1w4o s THR 45 Cb -0.04 -2.24 -0.02 0.00 0.01 0.00 0.00 72.50 70.20 1w4o s THR 45 CO -0.00 0.57 -0.10 -0.36 -0.69 0.00 0.00 174.62 174.03 1w4o s PHE 46 N -0.31 2.84 -0.19 4.92 0.08 -0.37 -4.29 117.98 120.66 1w4o s PHE 46 Ca 0.03 -0.24 -0.07 0.00 0.12 0.00 0.00 56.93 56.77 1w4o s PHE 46 Cb -0.13 -1.75 -0.03 0.00 -0.57 0.00 0.00 43.02 40.54 1w4o s PHE 46 CO 0.03 0.11 0.04 0.08 -0.10 0.00 0.00 175.22 175.38 1w4o s VAL 47 N -0.35 4.47 -1.10 -0.44 1.01 0.16 -0.69 120.40 123.44 1w4o s VAL 47 Ca 0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 61.98 61.86 1w4o s VAL 47 Cb -0.12 -3.02 0.27 0.00 0.00 0.00 0.00 36.38 33.50 1w4o s VAL 47 CO 0.02 0.44 1.95 1.41 0.00 0.00 0.00 175.10 178.92 1w4o n HIS 48 N 3.90 2.71 -4.20 5.22 -0.00 0.24 -1.92 115.22 121.16 1w4o n HIS 48 Ca -0.17 -2.62 -0.12 0.00 -0.00 0.00 0.00 57.72 54.81 1w4o n HIS 48 Cb 0.52 -1.36 -0.10 0.00 -0.00 0.00 0.00 29.99 29.05 1w4o n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1w4o s GLU 49 N -3.51 1.19 0.63 -0.41 0.41 -1.26 -4.50 118.70 111.25 1w4o s GLU 49 Ca 0.42 -1.62 -0.16 0.00 -0.41 0.00 0.00 54.97 53.20 1w4o s GLU 49 Cb 0.18 0.24 -0.02 0.00 -1.78 0.00 0.00 34.13 32.76 1w4o s GLU 49 CO -0.11 -0.37 1.11 -1.54 -0.49 0.00 0.00 175.26 173.86 1w4o s SER 50 N -3.16 5.29 0.36 -0.19 1.04 -1.26 -4.25 113.70 111.54 1w4o s SER 50 Ca 0.38 2.04 0.03 0.00 0.48 0.00 0.00 55.95 58.88 1w4o s SER 50 Cb 0.07 -2.56 0.67 0.00 0.10 0.00 0.00 66.02 64.31 1w4o s SER 50 CO 0.11 -1.50 2.00 0.25 0.98 0.00 0.00 173.24 175.08 1w4o h LEU 51 N 0.36 0.65 -0.36 2.42 5.85 -1.98 -1.74 115.31 120.51 1w4o h LEU 51 Ca -0.48 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.21 1w4o h LEU 51 Cb 1.25 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 1w4o h LEU 51 CO 0.55 0.50 0.21 0.00 -0.34 0.00 0.00 178.44 179.36 1w4o h ALA 52 N 1.62 0.46 -0.56 1.25 0.00 -1.99 0.10 119.26 120.15 1w4o h ALA 52 Ca 0.20 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1w4o h ALA 52 Cb -0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1w4o h ALA 52 CO -0.04 -0.03 0.10 -0.44 0.00 0.00 0.00 179.25 178.84 1w4o h ASP 53 N 0.47 0.88 -0.53 0.00 3.32 -1.79 -1.62 116.42 117.15 1w4o h ASP 53 Ca 0.13 -0.25 -0.09 0.00 0.02 0.00 0.00 57.03 56.84 1w4o h ASP 53 Cb 0.02 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 1w4o h ASP 53 CO -0.02 0.90 -0.02 0.58 -1.72 0.00 0.00 179.24 178.96 1w4o h VAL 54 N 0.81 1.27 -0.14 -1.35 2.07 -1.13 -2.87 116.25 114.91 1w4o h VAL 54 Ca 0.17 -1.14 -0.07 0.00 0.82 0.00 0.00 66.70 66.49 1w4o h VAL 54 Cb 0.39 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1w4o h VAL 54 CO 0.01 0.40 -0.21 1.56 0.02 0.00 0.00 177.57 179.35 1w4o h GLN 55 N 0.82 0.24 0.00 1.57 4.20 -0.68 -2.36 115.11 118.90 1w4o h GLN 55 Ca 0.15 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 1w4o h GLN 55 Cb 0.56 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.32 1w4o h GLN 55 CO 0.03 0.44 -0.00 0.00 -0.67 0.00 0.00 178.83 178.63 1w4o h ALA 56 N 1.57 1.01 -0.12 3.87 0.00 -1.06 -2.28 119.26 122.24 1w4o h ALA 56 Ca 0.04 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1w4o h ALA 56 Cb 0.50 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1w4o h ALA 56 CO 0.03 0.00 0.11 0.28 0.00 0.00 0.00 179.25 179.68 1w4o h VAL 57 N 0.00 0.69 0.00 0.00 2.07 -1.40 -0.27 116.25 117.33 1w4o h VAL 57 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1w4o h VAL 57 Cb 0.27 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1w4o h VAL 57 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 1w4o n SER 59 N -1.33 2.41 0.00 0.00 7.64 -0.11 -5.01 113.62 117.22 1w4o n SER 59 Ca 0.03 -3.06 0.00 0.00 1.01 0.00 0.00 58.87 56.85 1w4o n SER 59 Cb 0.06 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 1w4o n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1w4o n GLN 60 N -1.37 0.27 -2.33 1.43 6.02 -0.15 -5.01 117.38 116.25 1w4o n GLN 60 Ca 0.16 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.74 1w4o n GLN 60 Cb 0.64 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.87 1w4o n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1w4o s LYS 61 N 4.09 3.21 -0.01 -1.09 2.20 -1.07 -4.90 119.74 122.17 1w4o s LYS 61 Ca 0.00 0.50 -0.30 0.00 -0.36 0.00 0.00 55.97 55.81 1w4o s LYS 61 Cb 0.00 -4.17 -0.06 0.00 -1.51 0.00 0.00 37.83 32.10 1w4o s LYS 61 CO 0.00 -2.05 1.47 1.21 -0.36 0.00 0.00 175.35 175.62 1w4o s ASN 62 N 4.98 6.79 0.15 1.43 3.04 -1.26 -0.18 114.94 129.89 1w4o s ASN 62 Ca 0.55 2.15 0.00 0.00 0.04 0.00 0.00 52.86 55.61 1w4o s ASN 62 Cb -0.12 -2.55 -0.04 0.00 -1.54 0.00 0.00 41.25 37.00 1w4o s ASN 62 CO 0.24 -0.78 0.03 0.68 -3.04 0.00 0.00 177.10 174.23 1w4o s VAL 63 N 2.79 0.37 0.37 -5.21 -7.23 0.32 -4.93 120.40 106.88 1w4o s VAL 63 Ca 0.66 -1.94 -0.24 0.00 -1.81 0.00 0.00 61.98 58.65 1w4o s VAL 63 Cb -0.32 -2.07 -0.10 0.00 0.56 0.00 0.00 36.38 34.45 1w4o s VAL 63 CO 0.27 -0.48 0.99 0.00 -0.31 0.00 0.00 175.10 175.57 1w4o s ALA 64 N -3.86 3.13 0.68 1.32 0.00 -1.26 -2.81 121.76 118.97 1w4o s ALA 64 Ca 0.24 0.58 -0.09 0.00 0.00 0.00 0.00 51.96 52.69 1w4o s ALA 64 Cb 0.07 -3.22 0.03 0.00 0.00 0.00 0.00 23.12 20.01 1w4o s ALA 64 CO 0.03 0.00 1.03 0.00 0.00 0.00 0.00 175.76 176.82 1w4o h LYS 66 N -0.55 0.87 0.00 0.00 1.57 -1.93 -0.83 116.57 115.70 1w4o h LYS 66 Ca -0.45 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1w4o h LYS 66 Cb 1.28 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1w4o h LYS 66 CO 0.62 0.57 0.00 0.27 -0.57 0.00 0.00 179.45 180.35 1w4o n ASN 67 N -4.45 0.00 0.00 0.86 0.23 -1.26 -4.87 115.26 105.77 1w4o n ASN 67 Ca 0.09 -1.19 0.00 0.00 -0.53 0.00 0.00 54.58 52.95 1w4o n ASN 67 Cb 0.11 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.81 1w4o n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1w4o n GLY 68 N 0.66 1.66 3.79 4.83 0.00 -0.32 -5.05 105.19 110.76 1w4o n GLY 68 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1w4o n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1w4o s GLN 69 N -0.62 2.71 -0.29 1.61 -0.21 -1.26 -4.69 119.66 116.90 1w4o s GLN 69 Ca 0.00 1.14 0.10 0.00 0.02 0.00 0.00 55.36 56.62 1w4o s GLN 69 Cb 0.00 -1.95 0.57 0.00 1.00 0.00 0.00 33.01 32.63 1w4o s GLN 69 CO 0.00 -1.29 1.57 0.25 -2.12 0.00 0.00 175.29 173.70 1w4o n THR 70 N -3.01 2.64 -1.36 -0.19 -2.24 -1.26 -0.12 114.28 108.75 1w4o n THR 70 Ca 0.09 -2.26 -0.17 0.00 -2.27 0.00 0.00 64.05 59.44 1w4o n THR 70 Cb 0.53 -0.33 0.18 0.00 -2.10 0.00 0.00 70.33 68.60 1w4o n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1w4o n ASN 71 N -0.84 3.50 -4.88 3.42 6.94 -1.26 -4.77 115.26 117.37 1w4o n ASN 71 Ca 0.35 -3.71 -0.28 0.00 -0.02 0.00 0.00 54.58 50.92 1w4o n ASN 71 Cb 1.15 -0.75 -0.04 0.00 -2.36 0.00 0.00 39.78 37.77 1w4o n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1w4o s TYR 73 N -1.60 -0.03 -0.15 0.00 1.51 0.18 -0.52 117.35 116.73 1w4o s TYR 73 Ca 0.33 0.11 -0.07 0.00 -1.01 0.00 0.00 57.07 56.43 1w4o s TYR 73 Cb -0.12 -0.04 -0.04 0.00 -0.11 0.00 0.00 41.96 41.65 1w4o s TYR 73 CO 0.26 -0.04 0.09 -1.14 -1.11 0.00 0.00 175.55 173.62 1w4o s GLN 74 N 0.27 3.68 0.33 -0.62 0.74 0.75 -1.29 119.66 123.52 1w4o s GLN 74 Ca -0.02 -0.25 -0.29 0.00 0.05 0.00 0.00 55.36 54.85 1w4o s GLN 74 Cb -0.03 -3.18 -0.10 0.00 1.10 0.00 0.00 33.01 30.79 1w4o s GLN 74 CO -0.01 0.52 1.30 -1.54 -0.55 0.00 0.00 175.29 175.02 1w4o s SER 75 N -0.32 6.79 0.14 6.67 1.04 0.47 -2.61 113.70 125.88 1w4o s SER 75 Ca 0.10 2.68 -0.11 0.00 0.48 0.00 0.00 55.95 59.09 1w4o s SER 75 Cb -0.12 -2.65 -0.04 0.00 0.10 0.00 0.00 66.02 63.32 1w4o s SER 75 CO 0.01 -0.52 1.49 1.88 0.98 0.00 0.00 173.24 177.08 1w4o h TYR 76 N 3.39 1.09 -2.76 5.02 0.05 -1.94 -3.43 116.97 118.39 1w4o h TYR 76 Ca -0.49 -0.31 -0.49 0.00 0.05 0.00 0.00 58.73 57.49 1w4o h TYR 76 Cb 1.23 -0.24 -0.00 0.00 1.01 0.00 0.00 36.73 38.73 1w4o h TYR 76 CO 0.56 1.13 -0.26 -1.12 -1.05 0.00 0.00 178.16 177.41 1w4o s SER 77 N -6.76 6.34 0.58 3.88 0.01 -1.26 -5.04 113.70 111.45 1w4o s SER 77 Ca -0.11 0.40 -0.14 0.00 1.31 0.00 0.00 55.95 57.41 1w4o s SER 77 Cb 0.11 -2.01 -0.05 0.00 0.21 0.00 0.00 66.02 64.28 1w4o s SER 77 CO 0.87 -0.18 1.02 0.42 0.41 0.00 0.00 173.24 175.78 1w4o s THR 78 N -2.12 4.40 0.09 1.44 -4.23 -1.26 -4.48 115.64 109.48 1w4o s THR 78 Ca 0.39 0.98 0.04 0.00 -1.18 0.00 0.00 61.69 61.92 1w4o s THR 78 Cb -0.10 -3.67 -0.03 0.00 1.34 0.00 0.00 72.50 70.04 1w4o s THR 78 CO 0.32 -0.82 -0.10 -0.04 -0.54 0.00 0.00 174.62 173.44 1w4o s MET 79 N -4.53 0.80 -0.21 3.99 -1.94 0.11 -4.85 119.30 112.67 1w4o s MET 79 Ca 0.58 -1.09 -0.29 0.00 -1.71 0.00 0.00 55.69 53.19 1w4o s MET 79 Cb -0.12 -0.52 -0.01 0.00 2.01 0.00 0.00 34.83 36.19 1w4o s MET 79 CO 0.42 0.09 1.27 0.45 -0.01 0.00 0.00 175.02 177.23 1w4o s SER 80 N -2.27 6.86 0.11 3.03 0.15 -1.26 -1.75 113.70 118.58 1w4o s SER 80 Ca 0.03 1.53 0.02 0.00 0.70 0.00 0.00 55.95 58.23 1w4o s SER 80 Cb -0.04 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.69 1w4o s SER 80 CO 0.00 -0.86 -0.08 0.27 1.20 0.00 0.00 173.24 173.78 1w4o s ILE 81 N 3.76 0.80 -0.13 6.45 -0.00 -0.39 0.79 121.20 132.49 1w4o s ILE 81 Ca 0.55 -1.91 0.01 0.00 -0.00 0.00 0.00 60.65 59.30 1w4o s ILE 81 Cb -0.20 -1.65 0.02 0.00 -0.00 0.00 0.00 42.46 40.63 1w4o s ILE 81 CO 0.17 -0.81 -0.14 -0.89 -0.00 0.00 0.00 174.94 173.27 1w4o s THR 82 N -3.40 1.49 -0.20 8.37 2.01 0.13 -1.58 115.64 122.46 1w4o s THR 82 Ca 0.11 -0.60 -0.17 0.00 0.31 0.00 0.00 61.69 61.34 1w4o s THR 82 Cb 0.04 -1.39 -0.04 0.00 0.01 0.00 0.00 72.50 71.12 1w4o s THR 82 CO -0.03 0.44 0.45 -0.62 -0.69 0.00 0.00 174.62 174.17 1w4o s ASP 83 N 1.30 6.49 -0.27 3.53 -1.08 0.79 -1.24 116.67 126.20 1w4o s ASP 83 Ca 0.00 0.59 -0.05 0.00 -0.52 0.00 0.00 52.55 52.57 1w4o s ASP 83 Cb -0.14 -2.26 0.01 0.00 -1.46 0.00 0.00 42.92 39.08 1w4o s ASP 83 CO -0.07 -0.11 0.02 0.00 0.52 0.00 0.00 175.17 175.53 1w4o s ARG 85 N 1.44 2.49 0.38 0.00 6.06 -0.95 -1.36 118.95 127.00 1w4o s ARG 85 Ca 0.02 -0.67 -0.27 0.00 -2.50 0.00 0.00 55.73 52.31 1w4o s ARG 85 Cb -0.17 -2.00 -0.09 0.00 0.06 0.00 0.00 34.95 32.75 1w4o s ARG 85 CO -0.00 0.03 1.30 -2.00 -2.50 0.00 0.00 175.30 172.12 1w4o s GLU 86 N 0.72 4.12 0.77 5.12 2.12 0.08 -0.34 118.70 131.29 1w4o s GLU 86 Ca -0.11 2.17 -0.11 0.00 0.36 0.00 0.00 54.97 57.27 1w4o s GLU 86 Cb -0.16 -2.87 0.05 0.00 0.26 0.00 0.00 34.13 31.41 1w4o s GLU 86 CO 0.02 -0.37 1.08 0.95 -0.54 0.00 0.00 175.26 176.41 1w4o s THR 87 N -1.22 3.40 0.24 -1.70 -4.23 -0.77 -4.84 115.64 106.51 1w4o s THR 87 Ca 0.54 0.45 0.29 0.00 -1.18 0.00 0.00 61.69 61.79 1w4o s THR 87 Cb -0.38 -3.17 0.31 0.00 1.34 0.00 0.00 72.50 70.60 1w4o s THR 87 CO 0.50 -0.59 1.98 1.23 -0.54 0.00 0.00 174.62 177.20 1w4o h GLY 88 N -0.98 0.00 -1.33 3.99 0.00 -1.94 -2.66 103.07 100.15 1w4o h GLY 88 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1w4o h GLY 88 CO 0.58 0.00 -0.15 1.44 0.00 0.00 0.00 176.54 178.41 1w4o n SER 89 N -3.35 2.40 -4.75 0.19 7.64 -1.26 -4.97 113.62 109.52 1w4o n SER 89 Ca -0.01 -1.72 -0.41 0.00 1.01 0.00 0.00 58.87 57.74 1w4o n SER 89 Cb 0.31 0.14 -0.02 0.00 -1.01 0.00 0.00 64.21 63.64 1w4o n SER 89 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1w4o s SER 90 N -2.17 6.55 -0.15 6.43 0.15 -1.00 -5.01 113.70 118.50 1w4o s SER 90 Ca 0.26 2.79 -0.05 0.00 0.70 0.00 0.00 55.95 59.65 1w4o s SER 90 Cb 0.20 -2.63 0.07 0.00 -1.71 0.00 0.00 66.02 61.94 1w4o s SER 90 CO 0.40 -0.76 0.29 -0.75 1.20 0.00 0.00 173.24 173.61 1w4o s LYS 91 N -0.77 0.18 0.45 5.44 2.20 -1.23 -4.94 119.74 121.07 1w4o s LYS 91 Ca 0.58 0.76 -0.23 0.00 -0.36 0.00 0.00 55.97 56.72 1w4o s LYS 91 Cb -0.44 -0.05 -0.10 0.00 -1.51 0.00 0.00 37.83 35.73 1w4o s LYS 91 CO 0.48 -0.31 1.01 0.98 -0.36 0.00 0.00 175.35 177.14 1w4o n TYR 92 N 5.36 1.13 1.91 4.03 9.36 -1.26 -0.75 117.16 136.94 1w4o n TYR 92 Ca -0.06 0.53 0.13 0.00 3.32 0.00 0.00 57.90 61.82 1w4o n TYR 92 Cb 0.50 -2.22 0.76 0.00 -0.63 0.00 0.00 39.34 37.75 1w4o n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1w4o n PRO 93 N -0.04 1.10 -2.84 2.98 -0.04 -1.26 -4.95 135.00 129.95 1w4o n PRO 93 Ca 0.10 -0.14 -0.43 0.00 -0.04 0.00 0.00 63.50 62.98 1w4o n PRO 93 Cb 0.41 -1.43 0.01 0.00 -0.04 0.00 0.00 33.50 32.45 1w4o n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1w4o n ASN 94 N -0.76 6.00 -4.74 3.54 4.13 0.07 -5.02 115.26 118.47 1w4o n ASN 94 Ca 0.20 -3.30 -0.41 0.00 1.68 0.00 0.00 54.58 52.74 1w4o n ASN 94 Cb 0.13 -1.34 -0.02 0.00 -1.54 0.00 0.00 39.78 37.01 1w4o n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1w4o s ALA 96 N 0.07 1.22 0.20 0.00 0.00 -1.26 -4.98 121.76 117.00 1w4o s ALA 96 Ca 0.59 -0.50 0.08 0.00 0.00 0.00 0.00 51.96 52.13 1w4o s ALA 96 Cb -0.41 -0.44 -0.05 0.00 0.00 0.00 0.00 23.12 22.23 1w4o s ALA 96 CO 0.42 0.20 -0.15 0.71 0.00 0.00 0.00 175.76 176.94 1w4o s TYR 97 N 0.19 1.71 -0.16 0.00 2.02 -1.26 -1.85 117.35 117.99 1w4o s TYR 97 Ca -0.05 -0.56 -0.05 0.00 -0.37 0.00 0.00 57.07 56.04 1w4o s TYR 97 Cb -0.11 -0.80 -0.03 0.00 -0.40 0.00 0.00 41.96 40.62 1w4o s TYR 97 CO 0.02 0.35 -0.00 0.15 -1.57 0.00 0.00 175.55 174.49 1w4o s LYS 98 N -3.53 3.72 -0.24 -0.62 1.02 0.54 -4.79 119.74 115.83 1w4o s LYS 98 Ca 0.21 -0.46 -0.10 0.00 0.02 0.00 0.00 55.97 55.65 1w4o s LYS 98 Cb -0.01 -3.00 -0.04 0.00 -0.52 0.00 0.00 37.83 34.25 1w4o s LYS 98 CO 0.07 0.29 0.13 0.99 -0.92 0.00 0.00 175.35 175.91 1w4o s THR 99 N 0.26 5.08 -0.15 2.17 2.01 -1.26 -2.25 115.64 121.50 1w4o s THR 99 Ca -0.01 0.08 -0.00 0.00 0.31 0.00 0.00 61.69 62.07 1w4o s THR 99 Cb -0.13 -3.36 0.04 0.00 0.01 0.00 0.00 72.50 69.05 1w4o s THR 99 CO 0.02 0.35 -0.06 -0.89 -0.69 0.00 0.00 174.62 173.34 1w4o s THR 100 N 1.15 1.09 0.11 -0.82 2.01 -0.58 -4.99 115.64 113.61 1w4o s THR 100 Ca 0.06 -0.51 -0.16 0.00 0.31 0.00 0.00 61.69 61.39 1w4o s THR 100 Cb -0.14 -1.21 -0.07 0.00 0.01 0.00 0.00 72.50 71.10 1w4o s THR 100 CO 0.05 0.22 0.55 -1.58 -0.69 0.00 0.00 174.62 173.17 1w4o s GLN 101 N 1.66 4.05 0.21 4.92 2.00 -1.26 -0.15 119.66 131.08 1w4o s GLN 101 Ca 0.02 0.57 -0.23 0.00 -2.00 0.00 0.00 55.36 53.72 1w4o s GLN 101 Cb -0.14 -3.06 0.04 0.00 0.80 0.00 0.00 33.01 30.66 1w4o s GLN 101 CO -0.08 0.55 0.78 0.00 -0.50 0.00 0.00 175.29 176.04 1w4o s ALA 102 N -1.32 -1.43 -0.29 1.58 0.00 -0.61 -4.98 121.76 114.70 1w4o s ALA 102 Ca 0.34 0.00 0.03 0.00 0.00 0.00 0.00 51.96 52.33 1w4o s ALA 102 Cb -0.17 0.77 0.08 0.00 0.00 0.00 0.00 23.12 23.80 1w4o s ALA 102 CO 0.19 -0.98 -0.01 -0.80 0.00 0.00 0.00 175.76 174.15 1w4o s ASN 103 N -2.88 4.42 0.17 0.00 0.01 -1.26 -1.26 114.94 114.15 1w4o s ASN 103 Ca 0.10 -1.71 -0.03 0.00 -0.71 0.00 0.00 52.86 50.51 1w4o s ASN 103 Cb -0.04 -1.44 -0.03 0.00 0.41 0.00 0.00 41.25 40.16 1w4o s ASN 103 CO 0.02 -0.30 0.16 -0.54 -1.51 0.00 0.00 177.10 174.92 1w4o s LYS 104 N 1.13 1.11 0.38 -0.60 1.02 -0.72 -4.75 119.74 117.32 1w4o s LYS 104 Ca 0.02 -1.44 -0.24 0.00 0.02 0.00 0.00 55.97 54.33 1w4o s LYS 104 Cb -0.19 0.30 -0.10 0.00 -0.52 0.00 0.00 37.83 37.32 1w4o s LYS 104 CO -0.09 -0.37 0.98 -1.01 -0.92 0.00 0.00 175.35 173.95 1w4o s HIS 105 N -4.07 3.42 0.18 3.18 3.76 0.18 0.04 115.29 121.98 1w4o s HIS 105 Ca 0.28 1.68 0.07 0.00 -0.15 0.00 0.00 55.06 56.94 1w4o s HIS 105 Cb 0.06 -2.98 -0.04 0.00 1.11 0.00 0.00 32.58 30.73 1w4o s HIS 105 CO 0.06 -0.19 -0.00 0.96 -0.85 0.00 0.00 174.74 174.71 1w4o s ILE 106 N -1.80 3.69 -0.10 0.60 -4.36 -1.26 -0.43 121.20 117.54 1w4o s ILE 106 Ca 0.57 -1.45 0.01 0.00 -0.26 0.00 0.00 60.65 59.51 1w4o s ILE 106 Cb -0.17 -2.86 0.02 0.00 1.25 0.00 0.00 42.46 40.70 1w4o s ILE 106 CO 0.22 -0.12 -0.11 -0.63 0.24 0.00 0.00 174.94 174.53 1w4o s ILE 107 N -1.76 1.22 0.10 8.37 1.01 0.73 -0.40 121.20 130.48 1w4o s ILE 107 Ca 0.28 -0.46 0.03 0.00 0.00 0.00 0.00 60.65 60.50 1w4o s ILE 107 Cb -0.09 -1.16 -0.04 0.00 0.01 0.00 0.00 42.46 41.18 1w4o s ILE 107 CO 0.18 0.39 -0.09 0.68 0.00 0.00 0.00 174.94 176.10 1w4o s VAL 108 N 1.24 0.89 -0.09 2.92 -7.23 -0.41 -0.69 120.40 117.03 1w4o s VAL 108 Ca -0.03 -1.74 -0.12 0.00 -1.81 0.00 0.00 61.98 58.28 1w4o s VAL 108 Cb -0.14 -1.46 -0.05 0.00 0.56 0.00 0.00 36.38 35.29 1w4o s VAL 108 CO -0.04 -0.65 0.30 0.00 -0.31 0.00 0.00 175.10 174.39 1w4o s ALA 109 N -2.80 3.70 0.03 1.32 0.00 0.58 -0.65 121.76 123.95 1w4o s ALA 109 Ca 0.08 -0.42 0.08 0.00 0.00 0.00 0.00 51.96 51.70 1w4o s ALA 109 Cb -0.01 -2.29 -0.03 0.00 0.00 0.00 0.00 23.12 20.80 1w4o s ALA 109 CO -0.01 0.36 -0.23 0.00 0.00 0.00 0.00 175.76 175.87 1w4o s GLU 111 N -1.21 1.05 0.05 0.00 2.12 -0.42 -4.88 118.70 115.41 1w4o s GLU 111 Ca 0.12 -0.38 0.00 0.00 0.36 0.00 0.00 54.97 55.08 1w4o s GLU 111 Cb -0.10 0.48 0.00 0.00 0.26 0.00 0.00 34.13 34.77 1w4o s GLU 111 CO 0.03 -0.46 0.00 0.41 -0.54 0.00 0.00 175.26 174.70 1w4o n GLY 112 N -0.29 -3.14 2.74 -1.50 0.00 -1.26 -3.08 105.19 98.66 1w4o n GLY 112 Ca -0.13 -1.80 -0.27 0.00 0.00 0.00 0.00 46.02 43.82 1w4o n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1w4o s ASN 113 N -1.35 2.78 0.73 1.61 2.47 -1.26 -1.93 114.94 117.99 1w4o s ASN 113 Ca 0.00 -0.75 -0.15 0.00 0.42 0.00 0.00 52.86 52.38 1w4o s ASN 113 Cb 0.00 -0.58 0.04 0.00 -1.45 0.00 0.00 41.25 39.26 1w4o s ASN 113 CO 0.00 -0.29 1.23 -2.16 -3.72 0.00 0.00 177.10 172.16 1w4o s PRO 114 N 1.87 2.10 -0.77 0.43 0.04 -1.26 -5.08 135.00 132.34 1w4o s PRO 114 Ca -0.00 1.85 -0.27 0.00 0.04 0.00 0.00 61.00 62.62 1w4o s PRO 114 Cb -0.17 -1.82 0.03 0.00 0.04 0.00 0.00 34.50 32.59 1w4o s PRO 114 CO -0.08 -1.89 1.29 -0.47 0.04 0.00 0.00 177.00 175.90 1w4o s TYR 115 N -1.86 2.31 0.27 0.56 5.04 -0.81 -4.88 117.35 117.97 1w4o s TYR 115 Ca 0.76 -0.13 0.02 0.00 -2.44 0.00 0.00 57.07 55.29 1w4o s TYR 115 Cb -0.31 -4.63 -0.05 0.00 0.35 0.00 0.00 41.96 37.31 1w4o s TYR 115 CO 0.45 -2.06 0.07 0.14 -1.34 0.00 0.00 175.55 172.81 1w4o s VAL 116 N 5.65 0.80 0.24 3.14 -7.23 -1.18 -4.85 120.40 116.98 1w4o s VAL 116 Ca 0.36 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.22 1w4o s VAL 116 Cb -0.07 -2.64 -0.10 0.00 0.56 0.00 0.00 36.38 34.13 1w4o s VAL 116 CO 0.13 -0.05 1.48 -2.84 -0.31 0.00 0.00 175.10 173.50 1w4o s PRO 117 N -3.97 4.24 0.00 4.82 0.02 -1.26 -1.29 135.00 137.56 1w4o s PRO 117 Ca 0.36 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.72 1w4o s PRO 117 Cb 0.08 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.49 1w4o s PRO 117 CO 0.13 -0.48 0.19 1.33 -0.33 0.00 0.00 177.00 177.84 1w4o n VAL 118 N 2.58 0.00 -3.63 3.83 0.24 0.91 -4.40 118.33 117.86 1w4o n VAL 118 Ca 0.08 -0.34 -0.12 0.00 -2.04 0.00 0.00 64.34 61.92 1w4o n VAL 118 Cb 0.40 1.17 -0.07 0.00 -1.47 0.00 0.00 33.84 33.87 1w4o n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1w4o s HIS 119 N -0.31 -0.75 -0.37 6.34 5.65 -1.19 -4.69 115.29 119.97 1w4o s HIS 119 Ca 0.00 1.77 -0.18 0.00 0.25 0.00 0.00 55.06 56.91 1w4o s HIS 119 Cb 0.00 0.33 0.00 0.00 -1.18 0.00 0.00 32.58 31.74 1w4o s HIS 119 CO 0.00 -0.36 0.50 0.12 -0.65 0.00 0.00 174.74 174.34 1w4o s PHE 120 N 0.52 3.17 -0.09 3.88 2.19 -1.26 -0.31 117.98 126.08 1w4o s PHE 120 Ca -0.01 0.03 -0.13 0.00 0.33 0.00 0.00 56.93 57.16 1w4o s PHE 120 Cb -0.05 -2.94 -0.28 0.00 -1.31 0.00 0.00 43.02 38.44 1w4o s PHE 120 CO -0.03 -0.59 0.54 0.22 1.83 0.00 0.00 175.22 177.18 1w4o h ASP 121 N 8.55 0.45 0.00 6.13 3.58 -1.25 -3.49 116.42 130.40 1w4o h ASP 121 Ca -0.28 -0.89 0.00 0.00 0.42 0.00 0.00 57.03 56.29 1w4o h ASP 121 Cb 1.12 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.03 1w4o h ASP 121 CO 0.78 1.71 0.00 0.00 -2.88 0.00 0.00 179.24 178.86 1w4o n ALA 122 N -2.96 0.00 -2.41 -0.78 0.00 -1.04 -4.96 120.51 108.36 1w4o n ALA 122 Ca -0.27 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 52.90 1w4o n ALA 122 Cb 0.97 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 20.27 1w4o n ALA 122 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1w4o s SER 123 N 0.00 2.60 0.00 0.00 1.04 -1.26 -0.19 113.70 115.88 1w4o s SER 123 Ca 0.00 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 55.99 1w4o s SER 123 Cb 0.00 -0.27 0.00 0.00 0.10 0.00 0.00 66.02 65.85 1w4o s SER 123 CO 0.00 0.25 0.20 0.52 0.98 0.00 0.00 173.24 175.18