#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w4o n GLU 2 N 0.00 0.00 -1.33 1.97 2.13 -1.26 -5.13 120.64 117.02 1w4o n GLU 2 Ca 0.00 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.51 1w4o n GLU 2 Cb 0.00 0.00 0.09 0.00 0.27 0.00 0.00 31.44 31.80 1w4o n GLU 2 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1w4o s THR 3 N 0.00 3.31 0.26 6.31 -4.23 -1.26 -4.83 115.64 115.20 1w4o s THR 3 Ca 0.00 0.45 -0.04 0.00 -1.18 0.00 0.00 61.69 60.92 1w4o s THR 3 Cb 0.00 -2.94 0.20 0.00 1.34 0.00 0.00 72.50 71.10 1w4o s THR 3 CO 0.00 -0.53 1.86 0.00 -0.54 0.00 0.00 174.62 175.41 1w4o h ALA 4 N -0.95 1.22 -0.61 3.99 0.00 -1.96 -0.54 119.26 120.41 1w4o h ALA 4 Ca -0.44 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.25 1w4o h ALA 4 Cb 1.23 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1w4o h ALA 4 CO 0.52 0.60 0.09 0.00 0.00 0.00 0.00 179.25 180.46 1w4o h ALA 5 N 1.33 0.81 -0.65 0.00 0.00 -1.90 -1.66 119.26 117.18 1w4o h ALA 5 Ca 0.26 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1w4o h ALA 5 Cb 0.11 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1w4o h ALA 5 CO -0.03 0.57 0.24 0.00 0.00 0.00 0.00 179.25 180.03 1w4o h ALA 6 N 1.02 0.85 -0.72 0.00 0.00 -1.75 -2.09 119.26 116.57 1w4o h ALA 6 Ca 0.18 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1w4o h ALA 6 Cb 0.43 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1w4o h ALA 6 CO 0.01 0.49 0.34 -0.22 0.00 0.00 0.00 179.25 179.87 1w4o h LYS 7 N 0.93 1.03 -0.67 0.00 3.64 -0.85 -0.37 116.57 120.28 1w4o h LYS 7 Ca 0.22 -0.16 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 1w4o h LYS 7 Cb 0.23 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 31.83 1w4o h LYS 7 CO -0.01 0.82 0.42 0.35 -2.27 0.00 0.00 179.45 178.76 1w4o h PHE 8 N 1.00 0.80 -0.54 1.91 3.04 -0.91 0.21 116.94 122.45 1w4o h PHE 8 Ca 0.24 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.18 1w4o h PHE 8 Cb 0.13 -0.26 -0.02 0.00 2.56 0.00 0.00 35.95 38.35 1w4o h PHE 8 CO 0.01 0.46 0.21 0.93 -2.02 0.00 0.00 178.31 177.90 1w4o h GLU 9 N 0.84 0.82 -0.51 1.11 5.08 -0.81 0.31 114.58 121.41 1w4o h GLU 9 Ca 0.27 -0.15 -0.10 0.00 -1.00 0.00 0.00 59.36 58.38 1w4o h GLU 9 Cb 0.00 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 1w4o h GLU 9 CO -0.10 0.72 -0.07 -0.09 -1.00 0.00 0.00 179.01 178.47 1w4o h ARG 10 N 0.74 0.90 0.00 2.33 2.43 -0.45 -1.78 114.38 118.56 1w4o h ARG 10 Ca 0.18 -0.29 -0.24 0.00 -0.81 0.00 0.00 59.98 58.82 1w4o h ARG 10 Cb 0.21 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 1w4o h ARG 10 CO -0.01 0.94 -1.33 1.96 -1.51 0.00 0.00 179.97 180.01 1w4o h GLN 11 N 0.82 0.00 0.00 0.20 4.20 -0.43 -3.43 115.11 116.47 1w4o h GLN 11 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1w4o h GLN 11 Cb 0.58 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.36 1w4o h GLN 11 CO 0.04 0.68 0.00 0.72 -0.67 0.00 0.00 178.83 179.60 1w4o n HIS 12 N -3.17 0.00 -4.19 2.96 8.25 0.11 -4.67 115.22 114.51 1w4o n HIS 12 Ca -0.08 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.02 1w4o n HIS 12 Cb 0.97 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 32.00 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 -0.17 3.27 -0.49 -0.41 -1.94 -0.67 0.34 119.30 119.22 1w4o s MET 13 Ca 0.00 -0.33 0.06 0.00 -1.71 0.00 0.00 55.69 53.71 1w4o s MET 13 Cb 0.00 -2.96 0.21 0.00 2.01 0.00 0.00 34.83 34.09 1w4o s MET 13 CO 0.00 0.65 0.76 -3.47 -0.01 0.00 0.00 175.02 172.95 1w4o n ASP 14 N 2.34 -2.81 0.00 3.03 2.03 -0.67 -4.82 116.55 115.65 1w4o n ASP 14 Ca -0.19 -3.04 0.12 0.00 0.52 0.00 0.00 54.79 52.20 1w4o n ASP 14 Cb 0.54 1.50 0.61 0.00 -0.72 0.00 0.00 41.12 43.04 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 2.28 0.00 -0.16 1.67 7.64 -1.26 -3.89 113.62 119.90 1w4o n SER 15 Ca 0.15 -0.11 -0.11 0.00 1.01 0.00 0.00 58.87 59.81 1w4o n SER 15 Cb 0.58 -0.26 -0.01 0.00 -1.01 0.00 0.00 64.21 63.51 1w4o n SER 15 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1w4o h SER 16 N 0.00 0.92 -3.46 6.43 0.02 -1.92 -3.45 113.55 112.09 1w4o h SER 16 Ca 0.00 -0.37 -0.66 0.00 -0.84 0.00 0.00 61.79 59.91 1w4o h SER 16 Cb 0.21 -0.25 -0.14 0.00 0.14 0.00 0.00 62.40 62.35 1w4o h SER 16 CO 0.00 1.09 -0.68 0.42 -1.14 0.00 0.00 176.83 176.52 1w4o s THR 17 N -4.75 3.87 0.16 -2.27 -4.23 -1.25 -5.01 115.64 102.16 1w4o s THR 17 Ca -0.12 -0.85 0.14 0.00 -1.18 0.00 0.00 61.69 59.68 1w4o s THR 17 Cb 0.11 -2.76 0.03 0.00 1.34 0.00 0.00 72.50 71.23 1w4o s THR 17 CO 0.85 0.27 1.60 0.77 -0.54 0.00 0.00 174.62 177.57 1w4o h SER 18 N 4.04 0.00 -4.51 3.99 4.64 -1.89 -3.44 113.55 116.39 1w4o h SER 18 Ca -0.48 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 60.86 1w4o h SER 18 Cb 1.17 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.05 1w4o h SER 18 CO 0.56 0.55 0.40 0.00 -0.87 0.00 0.00 176.83 177.47 1w4o s ALA 19 N -3.42 -1.86 -0.47 5.18 0.00 -1.26 -4.85 121.76 115.08 1w4o s ALA 19 Ca 0.00 1.43 -0.28 0.00 0.00 0.00 0.00 51.96 53.12 1w4o s ALA 19 Cb 0.11 -0.35 -0.01 0.00 0.00 0.00 0.00 23.12 22.87 1w4o s ALA 19 CO 0.73 -0.36 1.75 0.00 0.00 0.00 0.00 175.76 177.89 1w4o s ALA 20 N -1.29 2.60 -0.11 0.00 0.00 -1.26 -4.97 121.76 116.73 1w4o s ALA 20 Ca -0.05 -0.23 -0.09 0.00 0.00 0.00 0.00 51.96 51.60 1w4o s ALA 20 Cb -0.00 -4.13 -0.04 0.00 0.00 0.00 0.00 23.12 18.94 1w4o s ALA 20 CO 0.04 -3.14 0.19 0.45 0.00 0.00 0.00 175.76 173.30 1w4o s SER 21 N 6.55 6.45 0.05 0.00 0.15 -1.26 -4.78 113.70 120.87 1w4o s SER 21 Ca 0.71 0.54 0.00 0.00 0.70 0.00 0.00 55.95 57.90 1w4o s SER 21 Cb -0.17 -2.11 0.00 0.00 -1.71 0.00 0.00 66.02 62.04 1w4o s SER 21 CO 0.28 0.37 0.00 -1.20 1.20 0.00 0.00 173.24 173.88 1w4o n SER 22 N 2.12 -2.88 0.00 5.45 7.64 -1.26 -4.55 113.62 120.14 1w4o n SER 22 Ca -0.18 0.18 0.02 0.00 1.01 0.00 0.00 58.87 59.89 1w4o n SER 22 Cb 0.54 0.19 0.10 0.00 -1.01 0.00 0.00 64.21 64.03 1w4o n SER 22 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1w4o n SER 23 N -0.45 0.00 -0.87 6.43 3.41 -1.26 -2.42 113.62 118.47 1w4o n SER 23 Ca 0.00 -0.09 0.12 0.00 -0.26 0.00 0.00 58.87 58.64 1w4o n SER 23 Cb 0.00 -0.01 0.17 0.00 -0.26 0.00 0.00 64.21 64.11 1w4o n SER 23 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1w4o n ASN 24 N -1.01 2.73 -0.07 4.04 6.94 -1.26 -4.39 115.26 122.23 1w4o n ASN 24 Ca 0.02 -1.90 -0.09 0.00 -0.02 0.00 0.00 54.58 52.59 1w4o n ASN 24 Cb 0.01 0.01 -0.03 0.00 -2.36 0.00 0.00 39.78 37.41 1w4o n ASN 24 CO 0.00 0.00 0.00 0.22 -1.03 0.00 0.00 177.26 176.45 1w4o h TYR 25 N 4.26 -0.95 -0.55 -2.53 3.20 -1.72 -2.83 116.97 115.86 1w4o h TYR 25 Ca 0.00 0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.88 1w4o h TYR 25 Cb 0.91 0.46 -0.02 0.00 1.54 0.00 0.00 36.73 39.62 1w4o h TYR 25 CO 0.00 -0.40 0.19 0.00 -1.64 0.00 0.00 178.16 176.31 1w4o h ASN 27 N 0.76 0.68 0.01 0.00 2.35 -1.77 0.41 115.58 118.02 1w4o h ASN 27 Ca 0.18 0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.93 1w4o h ASN 27 Cb 0.25 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.53 1w4o h ASN 27 CO -0.01 0.40 -0.16 1.56 -1.65 0.00 0.00 177.43 177.57 1w4o h GLN 28 N 0.80 0.09 -0.57 0.81 4.20 -1.32 -3.24 115.11 115.89 1w4o h GLN 28 Ca 0.39 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.94 1w4o h GLN 28 Cb 0.32 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 1w4o h GLN 28 CO -0.23 0.91 0.18 0.52 -0.67 0.00 0.00 178.83 179.54 1w4o h MET 29 N -0.68 0.88 -0.81 1.46 2.86 -0.62 0.26 114.93 118.27 1w4o h MET 29 Ca -0.02 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.42 1w4o h MET 29 Cb 0.97 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 32.47 1w4o h MET 29 CO 0.03 0.79 0.47 0.52 1.06 0.00 0.00 176.91 179.79 1w4o h MET 30 N 0.79 1.11 -0.17 1.72 2.86 -1.07 -0.67 114.93 119.51 1w4o h MET 30 Ca 0.18 -0.11 -0.10 0.00 -2.06 0.00 0.00 59.70 57.60 1w4o h MET 30 Cb 0.28 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1w4o h MET 30 CO -0.01 0.80 -0.30 -0.22 1.06 0.00 0.00 176.91 178.24 1w4o h LYS 31 N 1.12 0.50 -0.98 1.72 3.64 -1.55 0.23 116.57 121.25 1w4o h LYS 31 Ca 0.29 -0.31 0.12 0.00 -1.27 0.00 0.00 60.65 59.47 1w4o h LYS 31 Cb -0.01 0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 31.76 1w4o h LYS 31 CO -0.05 0.92 0.61 1.03 -2.27 0.00 0.00 179.45 179.69 1w4o h SER 32 N 0.14 0.89 -0.31 4.20 0.87 -0.60 -0.73 113.55 118.01 1w4o h SER 32 Ca 0.01 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1w4o h SER 32 Cb 0.89 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 1w4o h SER 32 CO 0.07 0.48 0.00 0.54 -0.53 0.00 0.00 176.83 177.39 1w4o n ARG 33 N -4.64 2.48 -3.73 2.24 5.12 -0.29 -4.90 116.66 112.94 1w4o n ARG 33 Ca 0.18 -1.44 -0.27 0.00 -1.93 0.00 0.00 57.85 54.40 1w4o n ARG 33 Cb 0.34 -1.64 0.06 0.00 -1.16 0.00 0.00 32.46 30.06 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 0.40 -5.75 -1.18 0.55 3.02 -0.28 -4.87 115.26 107.15 1w4o n ASN 34 Ca 0.13 -0.64 0.11 0.00 -0.03 0.00 0.00 54.58 54.15 1w4o n ASN 34 Cb 0.55 -4.55 0.28 0.00 -0.61 0.00 0.00 39.78 35.45 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 -4.87 3.45 -0.29 3.41 4.77 0.06 -4.17 117.00 119.37 1w4o n LEU 35 Ca 0.02 -1.65 0.02 0.00 -0.03 0.00 0.00 56.01 54.37 1w4o n LEU 35 Cb 0.55 -0.37 0.02 0.00 -2.33 0.00 0.00 43.42 41.29 1w4o n LEU 35 CO 0.69 0.82 0.32 0.35 -1.33 0.00 0.00 177.39 178.24 1w4o n THR 36 N 1.42 0.36 0.13 -5.08 -2.24 -1.24 -2.25 114.28 105.39 1w4o n THR 36 Ca 0.21 -0.42 -0.22 0.00 -2.27 0.00 0.00 64.05 61.35 1w4o n THR 36 Cb 0.57 0.49 -0.15 0.00 -2.10 0.00 0.00 70.33 69.14 1w4o n THR 36 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1w4o h LYS 37 N 0.00 0.44 0.00 -0.78 6.56 -1.92 -3.35 116.57 117.53 1w4o h LYS 37 Ca 0.00 -0.76 -0.30 0.00 -1.06 0.00 0.00 60.65 58.53 1w4o h LYS 37 Cb 1.19 0.28 -0.05 0.00 -0.57 0.00 0.00 32.23 33.08 1w4o h LYS 37 CO 0.00 1.36 -1.77 -0.25 -2.06 0.00 0.00 179.45 176.73 1w4o n ASP 38 N -3.65 0.86 -1.80 0.86 9.92 -1.26 -5.03 116.55 116.45 1w4o n ASP 38 Ca -0.14 0.38 -0.00 0.00 -0.53 0.00 0.00 54.79 54.50 1w4o n ASP 38 Cb 1.08 -0.02 0.01 0.00 -0.64 0.00 0.00 41.12 41.55 1w4o n ASP 38 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 1w4o n ARG 39 N -3.04 0.16 -3.35 -1.24 1.85 -1.26 -5.12 116.66 104.67 1w4o n ARG 39 Ca -0.19 -0.40 -0.41 0.00 -1.00 0.00 0.00 57.85 55.85 1w4o n ARG 39 Cb 1.06 0.57 -0.09 0.00 -1.05 0.00 0.00 32.46 32.95 1w4o n ARG 39 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1w4o s LYS 41 N 2.13 4.13 0.11 0.00 2.20 -0.95 -4.90 119.74 122.46 1w4o s LYS 41 Ca 0.13 2.11 -0.32 0.00 -0.36 0.00 0.00 55.97 57.52 1w4o s LYS 41 Cb -0.16 -3.98 -0.12 0.00 -1.51 0.00 0.00 37.83 32.05 1w4o s LYS 41 CO 0.13 -0.90 1.53 -1.35 -0.36 0.00 0.00 175.35 174.39 1w4o h PRO 42 N 9.66 -0.52 -4.94 4.03 0.11 -1.93 -3.43 132.00 134.98 1w4o h PRO 42 Ca -0.38 0.04 -0.43 0.00 0.11 0.00 0.00 66.00 65.33 1w4o h PRO 42 Cb 1.17 0.12 -0.29 0.00 0.11 0.00 0.00 31.00 32.11 1w4o h PRO 42 CO 0.96 -0.34 -0.79 0.08 -0.21 0.00 0.00 178.00 177.69 1w4o s VAL 43 N -5.59 0.88 -0.25 3.15 1.01 -1.26 -1.44 120.40 116.90 1w4o s VAL 43 Ca -0.15 -0.47 -0.21 0.00 0.00 0.00 0.00 61.98 61.16 1w4o s VAL 43 Cb 0.07 -0.74 0.07 0.00 0.00 0.00 0.00 36.38 35.78 1w4o s VAL 43 CO 0.59 0.25 0.64 0.21 0.00 0.00 0.00 175.10 176.79 1w4o s ASN 44 N -0.22 -0.71 -0.08 3.32 2.47 -0.59 -5.00 114.94 114.12 1w4o s ASN 44 Ca 0.04 1.32 0.02 0.00 0.42 0.00 0.00 52.86 54.66 1w4o s ASN 44 Cb -0.05 1.31 -0.02 0.00 -1.45 0.00 0.00 41.25 41.04 1w4o s ASN 44 CO -0.00 -0.23 -0.14 -0.89 -3.72 0.00 0.00 177.10 172.12 1w4o s THR 45 N 0.61 3.04 -0.09 -5.21 2.01 -1.26 -0.63 115.64 114.11 1w4o s THR 45 Ca -0.02 -0.70 -0.01 0.00 0.31 0.00 0.00 61.69 61.27 1w4o s THR 45 Cb -0.05 -2.22 -0.03 0.00 0.01 0.00 0.00 72.50 70.21 1w4o s THR 45 CO -0.03 0.56 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.05 1w4o s PHE 46 N -0.29 2.99 -0.21 4.92 0.08 -0.42 -4.31 117.98 120.73 1w4o s PHE 46 Ca 0.02 -0.04 -0.06 0.00 0.12 0.00 0.00 56.93 56.97 1w4o s PHE 46 Cb -0.13 -1.78 -0.03 0.00 -0.57 0.00 0.00 43.02 40.51 1w4o s PHE 46 CO 0.03 0.26 0.03 0.08 -0.10 0.00 0.00 175.22 175.51 1w4o s VAL 47 N -0.53 4.14 -1.16 -0.44 1.01 0.15 -1.10 120.40 122.47 1w4o s VAL 47 Ca 0.08 -0.24 -0.05 0.00 0.00 0.00 0.00 61.98 61.77 1w4o s VAL 47 Cb -0.12 -2.89 0.24 0.00 0.00 0.00 0.00 36.38 33.61 1w4o s VAL 47 CO 0.02 0.40 1.83 1.41 0.00 0.00 0.00 175.10 178.76 1w4o n HIS 48 N 4.40 2.58 -4.08 5.22 -0.00 0.99 -1.67 115.22 122.66 1w4o n HIS 48 Ca -0.17 -2.66 -0.10 0.00 -0.00 0.00 0.00 57.72 54.79 1w4o n HIS 48 Cb 0.52 -1.52 -0.08 0.00 -0.00 0.00 0.00 29.99 28.91 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 -2.05 1.21 0.77 -0.41 0.41 -1.26 -4.50 118.70 112.86 1w4o s GLU 49 Ca 0.39 -1.39 -0.12 0.00 -0.41 0.00 0.00 54.97 53.44 1w4o s GLU 49 Cb 0.12 0.34 0.06 0.00 -1.78 0.00 0.00 34.13 32.86 1w4o s GLU 49 CO -0.01 -0.43 1.13 -1.54 -0.49 0.00 0.00 175.26 173.93 1w4o s SER 50 N -3.06 4.19 0.29 -0.19 1.04 -1.26 -4.17 113.70 110.55 1w4o s SER 50 Ca 0.27 2.07 0.01 0.00 0.48 0.00 0.00 55.95 58.78 1w4o s SER 50 Cb 0.04 -2.55 0.45 0.00 0.10 0.00 0.00 66.02 64.06 1w4o s SER 50 CO 0.06 -2.25 1.79 0.25 0.98 0.00 0.00 173.24 174.07 1w4o h LEU 51 N -0.86 0.59 -0.64 2.42 5.85 -1.99 -2.40 115.31 118.28 1w4o h LEU 51 Ca -0.45 -0.15 -0.10 0.00 0.84 0.00 0.00 57.88 58.03 1w4o h LEU 51 Cb 1.26 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 1w4o h LEU 51 CO 0.49 0.71 -0.01 0.00 -0.34 0.00 0.00 178.44 179.29 1w4o h ALA 52 N 1.36 0.85 -0.58 1.25 0.00 -1.98 0.22 119.26 120.38 1w4o h ALA 52 Ca 0.11 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1w4o h ALA 52 Cb 0.47 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1w4o h ALA 52 CO 0.02 0.67 0.24 -0.44 0.00 0.00 0.00 179.25 179.74 1w4o h ASP 53 N 0.95 0.79 -0.23 0.00 5.19 -1.84 -0.06 116.42 121.22 1w4o h ASP 53 Ca 0.17 -0.16 -0.17 0.00 -0.62 0.00 0.00 57.03 56.24 1w4o h ASP 53 Cb 0.57 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.87 1w4o h ASP 53 CO 0.03 0.74 -0.52 0.58 -3.12 0.00 0.00 179.24 176.96 1w4o h VAL 54 N 0.80 1.30 -0.26 -1.35 2.07 -1.29 -2.99 116.25 114.52 1w4o h VAL 54 Ca 0.19 -1.72 -0.02 0.00 0.82 0.00 0.00 66.70 65.97 1w4o h VAL 54 Cb 0.19 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1w4o h VAL 54 CO -0.02 0.55 0.08 1.56 0.02 0.00 0.00 177.57 179.76 1w4o h GLN 55 N 0.50 0.37 0.00 1.57 4.20 -0.78 -1.53 115.11 119.43 1w4o h GLN 55 Ca 0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1w4o h GLN 55 Cb 1.13 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.84 1w4o h GLN 55 CO 0.11 0.34 0.00 0.00 -0.67 0.00 0.00 178.83 178.61 1w4o h ALA 56 N 1.72 1.00 0.00 3.87 0.00 -0.85 -2.33 119.26 122.67 1w4o h ALA 56 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1w4o h ALA 56 Cb 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1w4o h ALA 56 CO -0.01 0.00 -0.09 0.28 0.00 0.00 0.00 179.25 179.44 1w4o h VAL 57 N 0.00 0.36 0.00 0.00 2.07 -1.28 -2.24 116.25 115.16 1w4o h VAL 57 Ca 0.00 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1w4o h VAL 57 Cb 0.24 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1w4o h VAL 57 CO 0.00 0.09 0.00 0.00 0.02 0.00 0.00 177.57 177.68 1w4o n SER 59 N -1.67 2.80 -0.02 0.00 3.41 -0.84 -5.01 113.62 112.29 1w4o n SER 59 Ca 0.02 -2.38 0.00 0.00 -0.26 0.00 0.00 58.87 56.24 1w4o n SER 59 Cb 0.11 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 1w4o n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1w4o n GLN 60 N -0.27 3.19 -1.93 4.33 6.02 -0.41 -4.99 117.38 123.33 1w4o n GLN 60 Ca 0.11 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.68 1w4o n GLN 60 Cb 0.51 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.74 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 4.60 3.19 0.00 -1.09 2.20 -1.05 -4.84 119.74 122.76 1w4o s LYS 61 Ca 0.00 1.44 -0.30 0.00 -0.36 0.00 0.00 55.97 56.75 1w4o s LYS 61 Cb 0.00 -4.25 -0.05 0.00 -1.51 0.00 0.00 37.83 32.01 1w4o s LYS 61 CO 0.00 -2.03 1.38 1.21 -0.36 0.00 0.00 175.35 175.55 1w4o s ASN 62 N 6.83 6.87 0.05 1.43 3.04 -1.26 -0.15 114.94 131.75 1w4o s ASN 62 Ca 0.82 2.09 -0.03 0.00 0.04 0.00 0.00 52.86 55.79 1w4o s ASN 62 Cb -0.23 -2.56 -0.03 0.00 -1.54 0.00 0.00 41.25 36.89 1w4o s ASN 62 CO 0.32 -0.70 0.02 0.68 -3.04 0.00 0.00 177.10 174.39 1w4o s VAL 63 N 2.28 0.19 0.35 -5.21 -7.23 0.15 -4.93 120.40 106.01 1w4o s VAL 63 Ca 0.63 -1.52 -0.27 0.00 -1.81 0.00 0.00 61.98 59.00 1w4o s VAL 63 Cb -0.31 -1.29 -0.09 0.00 0.56 0.00 0.00 36.38 35.25 1w4o s VAL 63 CO 0.26 -0.84 1.23 0.00 -0.31 0.00 0.00 175.10 175.44 1w4o s ALA 64 N -3.50 3.34 0.60 1.32 0.00 -1.26 -2.91 121.76 119.36 1w4o s ALA 64 Ca 0.03 1.10 -0.10 0.00 0.00 0.00 0.00 51.96 52.99 1w4o s ALA 64 Cb 0.05 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 1w4o s ALA 64 CO -0.09 -0.54 1.00 0.00 0.00 0.00 0.00 175.76 176.13 1w4o h LYS 66 N -0.26 0.12 -0.01 0.00 1.57 -1.93 -1.78 116.57 114.28 1w4o h LYS 66 Ca -0.44 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1w4o h LYS 66 Cb 1.19 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1w4o h LYS 66 CO 0.62 0.14 0.00 0.27 -0.57 0.00 0.00 179.45 179.91 1w4o n ASN 67 N -4.46 0.51 0.00 0.86 0.23 -1.26 -4.90 115.26 106.24 1w4o n ASN 67 Ca -0.02 -1.20 0.00 0.00 -0.53 0.00 0.00 54.58 52.83 1w4o n ASN 67 Cb 0.13 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.83 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 1.04 1.20 3.77 4.83 0.00 -0.67 -5.08 105.19 110.29 1w4o n GLY 68 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.92 2.43 0.00 1.61 -0.21 -1.26 -4.75 119.66 116.56 1w4o s GLN 69 Ca 0.00 1.19 0.20 0.00 0.02 0.00 0.00 55.36 56.77 1w4o s GLN 69 Cb 0.00 -1.92 0.44 0.00 1.00 0.00 0.00 33.01 32.53 1w4o s GLN 69 CO 0.00 -1.51 1.37 0.25 -2.12 0.00 0.00 175.29 173.28 1w4o n THR 70 N -3.27 0.67 -1.16 -0.19 -2.24 -1.26 -0.57 114.28 106.26 1w4o n THR 70 Ca 0.09 -0.84 -0.28 0.00 -2.27 0.00 0.00 64.05 60.75 1w4o n THR 70 Cb 0.53 0.81 0.08 0.00 -2.10 0.00 0.00 70.33 69.65 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 1.33 6.76 -4.75 3.42 6.94 -1.26 -4.68 115.26 123.02 1w4o n ASN 71 Ca 0.19 -3.56 -0.30 0.00 -0.02 0.00 0.00 54.58 50.89 1w4o n ASN 71 Cb 0.56 -0.97 -0.07 0.00 -2.36 0.00 0.00 39.78 36.95 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 -1.40 0.27 -0.15 0.00 1.51 0.72 -0.67 117.35 117.63 1w4o s TYR 73 Ca 0.28 -0.02 -0.06 0.00 -1.01 0.00 0.00 57.07 56.26 1w4o s TYR 73 Cb -0.12 -0.27 -0.04 0.00 -0.11 0.00 0.00 41.96 41.43 1w4o s TYR 73 CO 0.21 -0.06 0.06 -1.14 -1.11 0.00 0.00 175.55 173.51 1w4o s GLN 74 N 0.42 3.69 0.31 -0.62 0.74 0.79 -1.38 119.66 123.62 1w4o s GLN 74 Ca -0.04 -0.33 -0.29 0.00 0.05 0.00 0.00 55.36 54.75 1w4o s GLN 74 Cb -0.07 -3.11 -0.10 0.00 1.10 0.00 0.00 33.01 30.83 1w4o s GLN 74 CO -0.01 0.43 1.31 -1.54 -0.55 0.00 0.00 175.29 174.93 1w4o s SER 75 N -0.08 6.79 0.21 6.67 1.04 -0.24 -2.51 113.70 125.57 1w4o s SER 75 Ca 0.06 2.65 -0.02 0.00 0.48 0.00 0.00 55.95 59.12 1w4o s SER 75 Cb -0.12 -2.64 0.17 0.00 0.10 0.00 0.00 66.02 63.52 1w4o s SER 75 CO 0.01 -0.53 1.55 1.88 0.98 0.00 0.00 173.24 177.14 1w4o h TYR 76 N 3.70 0.68 -2.41 5.02 0.05 -1.96 -3.43 116.97 118.61 1w4o h TYR 76 Ca -0.48 -0.22 -0.51 0.00 0.05 0.00 0.00 58.73 57.57 1w4o h TYR 76 Cb 1.22 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 38.80 1w4o h TYR 76 CO 0.57 0.92 -0.46 -1.12 -1.05 0.00 0.00 178.16 177.02 1w4o s SER 77 N -6.88 6.24 0.55 3.88 0.01 -1.26 -5.07 113.70 111.17 1w4o s SER 77 Ca -0.07 0.09 -0.16 0.00 1.31 0.00 0.00 55.95 57.12 1w4o s SER 77 Cb 0.12 -1.84 -0.06 0.00 0.21 0.00 0.00 66.02 64.45 1w4o s SER 77 CO 0.83 0.00 1.01 0.42 0.41 0.00 0.00 173.24 175.91 1w4o s THR 78 N -1.85 4.40 0.11 1.44 -4.23 -1.26 -4.57 115.64 109.68 1w4o s THR 78 Ca 0.34 1.10 0.05 0.00 -1.18 0.00 0.00 61.69 62.00 1w4o s THR 78 Cb -0.10 -3.66 -0.04 0.00 1.34 0.00 0.00 72.50 70.04 1w4o s THR 78 CO 0.28 -0.71 -0.12 -0.04 -0.54 0.00 0.00 174.62 173.49 1w4o s MET 79 N -4.22 0.93 -0.22 3.99 -1.94 0.99 -4.86 119.30 113.98 1w4o s MET 79 Ca 0.59 -1.20 -0.29 0.00 -1.71 0.00 0.00 55.69 53.09 1w4o s MET 79 Cb -0.11 -0.70 0.01 0.00 2.01 0.00 0.00 34.83 36.03 1w4o s MET 79 CO 0.35 0.12 1.02 0.45 -0.01 0.00 0.00 175.02 176.96 1w4o s SER 80 N -2.46 7.09 0.19 3.03 0.15 -1.26 -1.51 113.70 118.93 1w4o s SER 80 Ca 0.07 1.37 0.02 0.00 0.70 0.00 0.00 55.95 58.10 1w4o s SER 80 Cb -0.04 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.69 1w4o s SER 80 CO 0.01 -0.64 0.02 0.27 1.20 0.00 0.00 173.24 174.11 1w4o s ILE 81 N 3.06 0.62 -0.08 6.45 -4.36 -0.42 -0.00 121.20 126.47 1w4o s ILE 81 Ca 0.44 -1.98 -0.01 0.00 -0.26 0.00 0.00 60.65 58.84 1w4o s ILE 81 Cb -0.15 -2.21 0.03 0.00 1.25 0.00 0.00 42.46 41.38 1w4o s ILE 81 CO 0.07 -0.39 -0.01 -0.89 0.24 0.00 0.00 174.94 173.96 1w4o s THR 82 N -3.70 0.49 -0.01 8.37 2.01 -0.26 -1.79 115.64 120.75 1w4o s THR 82 Ca 0.26 0.04 -0.16 0.00 0.31 0.00 0.00 61.69 62.14 1w4o s THR 82 Cb 0.06 -0.62 -0.06 0.00 0.01 0.00 0.00 72.50 71.90 1w4o s THR 82 CO 0.06 0.27 0.46 -1.81 -0.69 0.00 0.00 174.62 172.91 1w4o s ASP 83 N 1.83 6.83 -0.21 3.53 1.01 0.68 -1.30 116.67 129.06 1w4o s ASP 83 Ca 0.04 0.99 0.01 0.00 0.71 0.00 0.00 52.55 54.30 1w4o s ASP 83 Cb -0.12 -2.28 0.03 0.00 1.01 0.00 0.00 42.92 41.55 1w4o s ASP 83 CO -0.05 0.24 -0.16 0.00 0.21 0.00 0.00 175.17 175.40 1w4o s ARG 85 N 1.24 2.47 0.25 0.00 3.52 -0.97 -1.54 118.95 123.92 1w4o s ARG 85 Ca 0.01 -0.66 -0.30 0.00 -0.13 0.00 0.00 55.73 54.64 1w4o s ARG 85 Cb -0.15 -1.99 -0.10 0.00 -1.56 0.00 0.00 34.95 31.14 1w4o s ARG 85 CO -0.10 0.03 1.51 -2.00 -0.81 0.00 0.00 175.30 173.93 1w4o s GLU 86 N 0.72 4.22 0.94 5.12 2.12 -0.52 0.05 118.70 131.34 1w4o s GLU 86 Ca -0.12 2.39 -0.15 0.00 0.36 0.00 0.00 54.97 57.46 1w4o s GLU 86 Cb -0.16 -3.09 0.17 0.00 0.26 0.00 0.00 34.13 31.31 1w4o s GLU 86 CO 0.02 -0.51 1.26 0.95 -0.54 0.00 0.00 175.26 176.44 1w4o s THR 87 N 0.20 1.97 0.06 -1.70 -4.23 -0.47 -4.85 115.64 106.62 1w4o s THR 87 Ca 0.62 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.98 1w4o s THR 87 Cb -0.44 -2.95 -0.19 0.00 1.34 0.00 0.00 72.50 70.25 1w4o s THR 87 CO 0.42 0.00 1.22 1.23 -0.54 0.00 0.00 174.62 176.96 1w4o h GLY 88 N -1.55 0.69 1.97 3.99 0.00 -1.95 -3.10 103.07 103.13 1w4o h GLY 88 Ca -0.45 -1.05 0.00 0.00 0.00 0.00 0.00 47.33 45.82 1w4o h GLY 88 CO 0.46 0.94 0.00 -1.14 0.00 0.00 0.00 176.54 176.80 1w4o n SER 89 N -4.07 0.00 -4.69 0.19 3.41 -1.26 -4.78 113.62 102.42 1w4o n SER 89 Ca -0.09 0.47 -0.43 0.00 -0.26 0.00 0.00 58.87 58.56 1w4o n SER 89 Cb 0.71 -0.48 -0.03 0.00 -0.26 0.00 0.00 64.21 64.14 1w4o n SER 89 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1w4o n SER 90 N -1.48 3.89 -3.63 4.04 2.88 -1.17 -4.96 113.62 113.18 1w4o n SER 90 Ca 0.04 1.01 -0.21 0.00 -1.33 0.00 0.00 58.87 58.37 1w4o n SER 90 Cb 0.18 -1.53 -0.17 0.00 -0.75 0.00 0.00 64.21 61.94 1w4o n SER 90 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1w4o s LYS 91 N 2.37 0.02 0.28 -1.46 -0.14 -1.20 -4.91 119.74 114.70 1w4o s LYS 91 Ca 0.81 0.23 -0.28 0.00 -1.36 0.00 0.00 55.97 55.37 1w4o s LYS 91 Cb -0.52 -1.02 -0.14 0.00 -1.68 0.00 0.00 37.83 34.46 1w4o s LYS 91 CO 0.37 -0.48 0.96 0.98 -0.76 0.00 0.00 175.35 176.42 1w4o n TYR 92 N 5.30 1.08 1.26 3.18 9.36 -1.26 -0.71 117.16 135.37 1w4o n TYR 92 Ca -0.05 0.73 0.14 0.00 3.32 0.00 0.00 57.90 62.04 1w4o n TYR 92 Cb 0.50 -2.22 0.61 0.00 -0.63 0.00 0.00 39.34 37.59 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 0.76 0.36 -1.66 2.98 -0.04 -1.26 -4.95 135.00 131.19 1w4o n PRO 93 Ca 0.10 -0.08 -0.41 0.00 -0.04 0.00 0.00 63.50 63.07 1w4o n PRO 93 Cb 0.31 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.27 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 -1.25 5.30 -4.72 3.54 4.13 0.11 -4.95 115.26 117.42 1w4o n ASN 94 Ca 0.11 -2.79 -0.42 0.00 1.68 0.00 0.00 54.58 53.16 1w4o n ASN 94 Cb 0.29 -1.62 -0.03 0.00 -1.54 0.00 0.00 39.78 36.89 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 0.97 2.06 0.09 0.00 0.00 -1.26 -4.93 121.76 118.68 1w4o s ALA 96 Ca 0.66 -1.03 0.05 0.00 0.00 0.00 0.00 51.96 51.64 1w4o s ALA 96 Cb -0.40 -0.58 -0.03 0.00 0.00 0.00 0.00 23.12 22.11 1w4o s ALA 96 CO 0.32 0.45 -0.14 0.71 0.00 0.00 0.00 175.76 177.11 1w4o s TYR 97 N -0.37 1.25 -0.16 0.00 1.51 -1.26 -1.36 117.35 116.95 1w4o s TYR 97 Ca 0.03 -0.50 -0.15 0.00 -1.01 0.00 0.00 57.07 55.45 1w4o s TYR 97 Cb -0.11 -0.69 -0.04 0.00 -0.11 0.00 0.00 41.96 41.00 1w4o s TYR 97 CO 0.01 0.07 0.33 0.21 -1.11 0.00 0.00 175.55 175.07 1w4o s LYS 98 N -2.07 4.26 -0.24 -0.62 2.20 0.11 -4.61 119.74 118.78 1w4o s LYS 98 Ca 0.01 0.16 -0.12 0.00 -0.36 0.00 0.00 55.97 55.66 1w4o s LYS 98 Cb -0.08 -3.44 -0.05 0.00 -1.51 0.00 0.00 37.83 32.75 1w4o s LYS 98 CO 0.02 0.19 0.22 0.99 -0.36 0.00 0.00 175.35 176.42 1w4o s THR 99 N 0.59 5.31 -0.18 3.43 2.01 -1.26 -2.30 115.64 123.24 1w4o s THR 99 Ca 0.18 0.30 -0.00 0.00 0.31 0.00 0.00 61.69 62.48 1w4o s THR 99 Cb -0.13 -3.56 0.04 0.00 0.01 0.00 0.00 72.50 68.86 1w4o s THR 99 CO 0.05 0.30 -0.06 -0.89 -0.69 0.00 0.00 174.62 173.33 1w4o s THR 100 N 1.25 1.25 0.04 -0.82 2.01 -0.50 -4.94 115.64 113.93 1w4o s THR 100 Ca 0.10 -0.75 -0.13 0.00 0.31 0.00 0.00 61.69 61.21 1w4o s THR 100 Cb -0.14 -1.42 -0.06 0.00 0.01 0.00 0.00 72.50 70.89 1w4o s THR 100 CO 0.06 0.12 0.42 -1.58 -0.69 0.00 0.00 174.62 172.95 1w4o s GLN 101 N 1.57 3.88 0.16 4.92 2.00 -1.26 -0.23 119.66 130.70 1w4o s GLN 101 Ca -0.00 0.35 -0.24 0.00 -2.00 0.00 0.00 55.36 53.47 1w4o s GLN 101 Cb -0.16 -3.12 0.06 0.00 0.80 0.00 0.00 33.01 30.59 1w4o s GLN 101 CO -0.08 0.63 0.86 0.00 -0.50 0.00 0.00 175.29 176.21 1w4o s ALA 102 N -1.22 -1.57 -0.27 1.58 0.00 -0.74 -4.99 121.76 114.55 1w4o s ALA 102 Ca 0.28 0.18 0.03 0.00 0.00 0.00 0.00 51.96 52.45 1w4o s ALA 102 Cb -0.16 0.68 0.06 0.00 0.00 0.00 0.00 23.12 23.70 1w4o s ALA 102 CO 0.15 -0.97 -0.09 -0.80 0.00 0.00 0.00 175.76 174.06 1w4o s ASN 103 N -2.86 4.51 0.17 0.00 0.01 -1.26 -1.30 114.94 114.21 1w4o s ASN 103 Ca 0.10 -1.46 -0.06 0.00 -0.71 0.00 0.00 52.86 50.73 1w4o s ASN 103 Cb -0.02 -1.57 -0.02 0.00 0.41 0.00 0.00 41.25 40.05 1w4o s ASN 103 CO 0.00 -0.21 0.23 -0.54 -1.51 0.00 0.00 177.10 175.08 1w4o s LYS 104 N 1.09 1.17 0.14 -0.60 1.02 -0.57 -4.79 119.74 117.21 1w4o s LYS 104 Ca -0.07 -1.32 -0.30 0.00 0.02 0.00 0.00 55.97 54.30 1w4o s LYS 104 Cb -0.20 0.34 -0.07 0.00 -0.52 0.00 0.00 37.83 37.39 1w4o s LYS 104 CO -0.05 -0.41 1.01 -1.01 -0.92 0.00 0.00 175.35 173.97 1w4o s HIS 105 N -4.03 3.75 0.14 3.18 3.76 0.34 -0.01 115.29 122.42 1w4o s HIS 105 Ca 0.23 1.73 0.02 0.00 -0.15 0.00 0.00 55.06 56.89 1w4o s HIS 105 Cb 0.04 -3.13 -0.04 0.00 1.11 0.00 0.00 32.58 30.57 1w4o s HIS 105 CO 0.04 -0.08 0.28 0.96 -0.85 0.00 0.00 174.74 175.09 1w4o s ILE 106 N -0.16 5.32 -0.13 0.60 -4.36 -1.26 -0.61 121.20 120.60 1w4o s ILE 106 Ca 0.47 -0.58 0.00 0.00 -0.26 0.00 0.00 60.65 60.28 1w4o s ILE 106 Cb -0.26 -3.72 0.02 0.00 1.25 0.00 0.00 42.46 39.76 1w4o s ILE 106 CO 0.32 -0.05 -0.12 -0.63 0.24 0.00 0.00 174.94 174.70 1w4o s ILE 107 N -1.71 1.36 0.15 8.37 1.01 0.21 -1.08 121.20 129.51 1w4o s ILE 107 Ca 0.35 -0.50 0.07 0.00 0.00 0.00 0.00 60.65 60.57 1w4o s ILE 107 Cb -0.11 -1.30 -0.04 0.00 0.01 0.00 0.00 42.46 41.01 1w4o s ILE 107 CO 0.28 0.42 -0.16 0.68 0.00 0.00 0.00 174.94 176.16 1w4o s VAL 108 N 1.53 1.60 -0.12 2.92 -7.23 -0.48 -0.11 120.40 118.52 1w4o s VAL 108 Ca 0.04 -1.84 -0.09 0.00 -1.81 0.00 0.00 61.98 58.28 1w4o s VAL 108 Cb -0.13 -1.72 -0.04 0.00 0.56 0.00 0.00 36.38 35.05 1w4o s VAL 108 CO -0.09 -0.37 0.18 0.00 -0.31 0.00 0.00 175.10 174.52 1w4o s ALA 109 N -2.11 3.82 0.12 1.32 0.00 0.32 -0.20 121.76 125.03 1w4o s ALA 109 Ca 0.13 -0.58 0.08 0.00 0.00 0.00 0.00 51.96 51.59 1w4o s ALA 109 Cb -0.05 -2.07 -0.04 0.00 0.00 0.00 0.00 23.12 20.96 1w4o s ALA 109 CO 0.05 0.52 -0.20 0.00 0.00 0.00 0.00 175.76 176.14 1w4o s GLU 111 N -2.22 1.23 0.00 0.00 -1.05 -0.59 -4.89 118.70 111.17 1w4o s GLU 111 Ca 0.09 -0.63 0.00 0.00 -0.15 0.00 0.00 54.97 54.28 1w4o s GLU 111 Cb -0.08 0.45 0.00 0.00 -0.44 0.00 0.00 34.13 34.06 1w4o s GLU 111 CO 0.05 -0.56 0.00 0.41 0.95 0.00 0.00 175.26 176.11 1w4o n GLY 112 N -0.42 -0.18 2.71 -3.83 0.00 -1.26 -2.53 105.19 99.68 1w4o n GLY 112 Ca -0.07 -1.85 -0.28 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 -1.31 3.19 0.68 1.61 2.47 -1.26 -2.23 114.94 118.09 1w4o s ASN 113 Ca 0.00 -1.03 -0.17 0.00 0.42 0.00 0.00 52.86 52.08 1w4o s ASN 113 Cb 0.00 -0.61 0.00 0.00 -1.45 0.00 0.00 41.25 39.19 1w4o s ASN 113 CO 0.00 -0.35 1.19 -0.81 -3.72 0.00 0.00 177.10 173.42 1w4o n PRO 114 N 5.04 0.86 -2.59 0.43 -0.04 -1.26 -5.10 135.00 132.34 1w4o n PRO 114 Ca -0.07 0.35 -0.42 0.00 -0.04 0.00 0.00 63.50 63.32 1w4o n PRO 114 Cb 0.46 -2.43 -0.03 0.00 -0.04 0.00 0.00 33.50 31.46 1w4o n PRO 114 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1w4o s TYR 115 N -1.57 2.52 0.24 0.54 5.04 -0.95 -4.88 117.35 118.29 1w4o s TYR 115 Ca 0.79 0.23 0.04 0.00 -2.44 0.00 0.00 57.07 55.70 1w4o s TYR 115 Cb -0.37 -4.52 -0.05 0.00 0.35 0.00 0.00 41.96 37.37 1w4o s TYR 115 CO 0.44 -1.73 -0.01 0.14 -1.34 0.00 0.00 175.55 173.05 1w4o s VAL 116 N 5.13 1.13 0.25 3.14 -7.23 -1.05 -4.86 120.40 116.90 1w4o s VAL 116 Ca 0.39 -2.05 -0.30 0.00 -1.81 0.00 0.00 61.98 58.22 1w4o s VAL 116 Cb -0.08 -2.35 -0.10 0.00 0.56 0.00 0.00 36.38 34.42 1w4o s VAL 116 CO 0.22 -0.33 1.35 -2.84 -0.31 0.00 0.00 175.10 173.19 1w4o s PRO 117 N -3.84 4.34 0.00 4.82 0.02 -1.26 -1.54 135.00 137.54 1w4o s PRO 117 Ca 0.28 2.18 0.00 0.00 0.02 0.00 0.00 61.00 63.48 1w4o s PRO 117 Cb 0.05 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.44 1w4o s PRO 117 CO 0.09 -0.29 0.13 1.33 -0.33 0.00 0.00 177.00 177.93 1w4o n VAL 118 N 2.04 0.00 -3.63 3.83 0.24 0.02 -4.43 118.33 116.40 1w4o n VAL 118 Ca 0.05 -0.20 -0.12 0.00 -2.04 0.00 0.00 64.34 62.03 1w4o n VAL 118 Cb 0.42 1.39 -0.07 0.00 -1.47 0.00 0.00 33.84 34.11 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 -0.14 -0.84 -0.32 6.34 5.65 -1.17 -4.71 115.29 120.10 1w4o s HIS 119 Ca 0.00 1.93 -0.16 0.00 0.25 0.00 0.00 55.06 57.08 1w4o s HIS 119 Cb 0.00 0.37 -0.02 0.00 -1.18 0.00 0.00 32.58 31.76 1w4o s HIS 119 CO 0.00 -0.41 0.42 0.12 -0.65 0.00 0.00 174.74 174.22 1w4o s PHE 120 N 0.72 3.21 -0.20 3.88 5.36 -1.26 -0.52 117.98 129.18 1w4o s PHE 120 Ca -0.03 0.19 -0.18 0.00 -0.96 0.00 0.00 56.93 55.95 1w4o s PHE 120 Cb -0.05 -2.72 -0.20 0.00 -0.34 0.00 0.00 43.02 39.71 1w4o s PHE 120 CO -0.05 -0.40 0.21 -3.47 -1.46 0.00 0.00 175.22 170.05 1w4o n ASP 121 N 5.48 1.92 -3.56 6.13 2.03 0.84 -4.96 116.55 124.43 1w4o n ASP 121 Ca -0.07 0.37 -0.02 0.00 0.52 0.00 0.00 54.79 55.59 1w4o n ASP 121 Cb 0.50 -0.93 0.01 0.00 -0.72 0.00 0.00 41.12 39.97 1w4o n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1w4o s ALA 122 N -2.41 -1.83 0.01 -1.67 0.00 -0.89 -4.96 121.76 110.01 1w4o s ALA 122 Ca -0.28 0.00 0.03 0.00 0.00 0.00 0.00 51.96 51.71 1w4o s ALA 122 Cb 0.07 0.68 -0.01 0.00 0.00 0.00 0.00 23.12 23.85 1w4o s ALA 122 CO 0.62 -1.07 -0.08 -1.54 0.00 0.00 0.00 175.76 173.69 1w4o s SER 123 N -3.26 0.99 0.00 0.00 1.04 -1.26 0.66 113.70 111.87 1w4o s SER 123 Ca 0.19 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.38 1w4o s SER 123 Cb -0.01 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.03 1w4o s SER 123 CO 0.02 0.04 0.00 1.33 0.98 0.00 0.00 173.24 175.61