#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xpt s GLU 2 N 0.00 0.45 0.76 -1.58 2.12 -1.26 -5.10 118.70 114.10 1xpt s GLU 2 Ca 0.00 0.14 -0.12 0.00 0.36 0.00 0.00 54.97 55.35 1xpt s GLU 2 Cb 0.00 -0.80 0.05 0.00 0.26 0.00 0.00 34.13 33.64 1xpt s GLU 2 CO 0.00 -0.26 1.12 0.95 -0.54 0.00 0.00 175.26 176.53 1xpt s THR 3 N 1.77 2.88 0.37 -1.70 -4.23 -1.26 -4.89 115.64 108.59 1xpt s THR 3 Ca 0.01 0.29 0.08 0.00 -1.18 0.00 0.00 61.69 60.89 1xpt s THR 3 Cb -0.13 -3.23 0.16 0.00 1.34 0.00 0.00 72.50 70.65 1xpt s THR 3 CO -0.04 -0.37 1.91 0.00 -0.54 0.00 0.00 174.62 175.57 1xpt h ALA 4 N -0.90 1.47 -0.28 3.99 0.00 -1.97 -1.81 119.26 119.76 1xpt h ALA 4 Ca -0.46 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.18 1xpt h ALA 4 Cb 1.28 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1xpt h ALA 4 CO 0.64 0.37 -0.11 0.00 0.00 0.00 0.00 179.25 180.15 1xpt h ALA 5 N 1.61 0.40 -0.67 0.00 0.00 -1.89 -2.43 119.26 116.27 1xpt h ALA 5 Ca 0.07 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1xpt h ALA 5 Cb 0.35 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1xpt h ALA 5 CO 0.02 0.26 0.25 0.00 0.00 0.00 0.00 179.25 179.77 1xpt h ALA 6 N 0.76 1.19 -0.50 0.00 0.00 -1.82 -2.09 119.26 116.79 1xpt h ALA 6 Ca 0.07 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1xpt h ALA 6 Cb 0.62 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1xpt h ALA 6 CO 0.04 0.58 0.20 -0.22 0.00 0.00 0.00 179.25 179.85 1xpt h LYS 7 N 0.97 0.72 -0.51 0.00 3.64 -1.25 -1.65 116.57 118.49 1xpt h LYS 7 Ca 0.22 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 59.45 1xpt h LYS 7 Cb 0.21 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1xpt h LYS 7 CO -0.02 0.59 0.10 0.35 -2.27 0.00 0.00 179.45 178.21 1xpt h PHE 8 N 0.72 0.88 -0.69 1.91 3.04 -0.88 -1.79 116.94 120.12 1xpt h PHE 8 Ca 0.17 -0.12 -0.04 0.00 3.98 0.00 0.00 57.97 61.97 1xpt h PHE 8 Cb 0.14 -0.24 -0.03 0.00 2.56 0.00 0.00 35.95 38.38 1xpt h PHE 8 CO 0.01 0.79 0.28 0.93 -2.02 0.00 0.00 178.31 178.29 1xpt h GLU 9 N 0.72 1.03 -0.27 1.11 5.08 -1.08 -0.08 114.58 121.08 1xpt h GLU 9 Ca 0.16 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1xpt h GLU 9 Cb 0.37 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1xpt h GLU 9 CO 0.01 0.86 0.08 -0.09 -1.00 0.00 0.00 179.01 178.87 1xpt h ARG 10 N 0.98 0.43 0.00 2.33 2.43 -1.18 -1.30 114.38 118.07 1xpt h ARG 10 Ca 0.23 -0.09 -0.10 0.00 -0.81 0.00 0.00 59.98 59.21 1xpt h ARG 10 Cb 0.21 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1xpt h ARG 10 CO -0.02 0.49 -0.48 1.96 -1.51 0.00 0.00 179.97 180.41 1xpt h GLN 11 N 0.28 0.00 0.00 0.20 4.20 -1.20 -3.41 115.11 115.17 1xpt h GLN 11 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1xpt h GLN 11 Cb 0.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1xpt h GLN 11 CO -0.00 0.48 -0.82 0.72 -0.67 0.00 0.00 178.83 178.55 1xpt n HIS 12 N -3.22 0.00 -3.38 2.96 8.25 -0.06 -4.75 115.22 115.02 1xpt n HIS 12 Ca 0.02 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.10 1xpt n HIS 12 Cb 0.73 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.77 1xpt n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1xpt s MET 13 N -1.68 4.26 -0.44 -0.41 -1.94 -0.49 0.36 119.30 118.96 1xpt s MET 13 Ca 0.00 0.39 0.06 0.00 -1.71 0.00 0.00 55.69 54.43 1xpt s MET 13 Cb 0.00 -3.40 0.20 0.00 2.01 0.00 0.00 34.83 33.65 1xpt s MET 13 CO 0.00 0.26 0.54 -3.47 -0.01 0.00 0.00 175.02 172.34 1xpt n ASP 14 N 3.35 -1.26 -0.02 3.03 2.03 -0.47 -4.85 116.55 118.37 1xpt n ASP 14 Ca -0.09 -2.70 0.15 0.00 0.52 0.00 0.00 54.79 52.67 1xpt n ASP 14 Cb 0.52 0.22 0.73 0.00 -0.72 0.00 0.00 41.12 41.87 1xpt n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1xpt n SER 15 N 2.32 0.08 0.23 1.67 7.64 -1.25 -3.76 113.62 120.54 1xpt n SER 15 Ca 0.22 -0.21 0.14 0.00 1.01 0.00 0.00 58.87 60.03 1xpt n SER 15 Cb 0.53 -0.25 0.33 0.00 -1.01 0.00 0.00 64.21 63.82 1xpt n SER 15 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1xpt h SER 16 N 0.09 0.00 -3.69 6.43 4.64 -1.92 -3.45 113.55 115.64 1xpt h SER 16 Ca 0.00 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.64 1xpt h SER 16 Cb 0.30 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 62.19 1xpt h SER 16 CO 0.00 0.00 -0.84 -0.89 -0.87 0.00 0.00 176.83 174.23 1xpt s THR 17 N -3.34 2.44 -0.15 2.95 2.01 -1.25 -5.04 115.64 113.26 1xpt s THR 17 Ca 0.05 -1.75 0.17 0.00 0.31 0.00 0.00 61.69 60.47 1xpt s THR 17 Cb 0.06 -2.11 -0.03 0.00 0.01 0.00 0.00 72.50 70.43 1xpt s THR 17 CO 0.63 0.04 1.11 0.77 -0.69 0.00 0.00 174.62 176.48 1xpt h SER 18 N 3.68 0.00 -5.08 3.53 4.64 -1.87 -3.44 113.55 115.00 1xpt h SER 18 Ca -0.50 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 60.93 1xpt h SER 18 Cb 1.18 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.18 1xpt h SER 18 CO 0.43 0.48 0.37 0.00 -0.87 0.00 0.00 176.83 177.24 1xpt s ALA 19 N -2.99 -1.54 0.05 5.18 0.00 -1.26 -4.81 121.76 116.39 1xpt s ALA 19 Ca 0.00 0.17 -0.34 0.00 0.00 0.00 0.00 51.96 51.80 1xpt s ALA 19 Cb 0.08 0.71 -0.12 0.00 0.00 0.00 0.00 23.12 23.78 1xpt s ALA 19 CO 0.78 -0.95 1.75 0.00 0.00 0.00 0.00 175.76 177.33 1xpt n ALA 20 N -0.42 1.25 -0.10 0.00 0.00 -1.26 -4.90 120.51 115.06 1xpt n ALA 20 Ca -0.07 0.36 -0.12 0.00 0.00 0.00 0.00 53.44 53.61 1xpt n ALA 20 Cb 0.61 -2.45 -0.04 0.00 0.00 0.00 0.00 19.45 17.57 1xpt n ALA 20 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1xpt h SER 21 N 7.74 0.62 -5.23 0.00 0.02 -1.99 -3.49 113.55 111.21 1xpt h SER 21 Ca -0.47 -0.38 -0.12 0.00 -0.84 0.00 0.00 61.79 59.98 1xpt h SER 21 Cb 1.26 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 63.59 1xpt h SER 21 CO 0.92 0.86 0.05 -0.94 -1.14 0.00 0.00 176.83 176.59 1xpt s SER 22 N -6.25 0.35 0.36 3.07 1.04 -1.26 -5.04 113.70 105.96 1xpt s SER 22 Ca -0.13 -1.23 0.26 0.00 0.48 0.00 0.00 55.95 55.33 1xpt s SER 22 Cb 0.08 0.75 1.24 0.00 0.10 0.00 0.00 66.02 68.19 1xpt s SER 22 CO 0.79 -1.46 1.80 0.77 0.98 0.00 0.00 173.24 176.11 1xpt h SER 23 N 2.07 0.00 0.04 7.02 4.64 -1.95 -2.34 113.55 123.03 1xpt h SER 23 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1xpt h SER 23 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1xpt h SER 23 CO 0.38 0.00 -0.08 0.59 -0.87 0.00 0.00 176.83 176.85 1xpt n ASN 24 N -2.44 1.62 -0.09 4.97 3.02 -1.26 -4.47 115.26 116.62 1xpt n ASN 24 Ca 0.00 -1.43 -0.09 0.00 -0.03 0.00 0.00 54.58 53.03 1xpt n ASN 24 Cb 0.16 0.05 -0.03 0.00 -0.61 0.00 0.00 39.78 39.35 1xpt n ASN 24 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1xpt h TYR 25 N 2.43 -0.94 -0.77 3.10 5.03 -1.83 -1.38 116.97 122.61 1xpt h TYR 25 Ca 0.00 0.05 -0.02 0.00 2.58 0.00 0.00 58.73 61.34 1xpt h TYR 25 Cb 0.58 0.46 -0.04 0.00 1.55 0.00 0.00 36.73 39.29 1xpt h TYR 25 CO 0.00 -0.39 0.41 0.00 -1.32 0.00 0.00 178.16 176.85 1xpt h ASN 27 N 1.07 1.10 0.05 0.00 2.35 -1.66 -0.41 115.58 118.07 1xpt h ASN 27 Ca 0.27 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.99 1xpt h ASN 27 Cb 0.06 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.16 1xpt h ASN 27 CO -0.04 0.79 -0.02 1.56 -1.65 0.00 0.00 177.43 178.07 1xpt h GLN 28 N 1.29 -0.06 -0.65 0.81 4.20 -0.88 -3.26 115.11 116.56 1xpt h GLN 28 Ca 0.35 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 59.02 1xpt h GLN 28 Cb -0.14 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.62 1xpt h GLN 28 CO -0.08 0.49 0.22 0.52 -0.67 0.00 0.00 178.83 179.30 1xpt h MET 29 N -0.66 1.00 -0.86 1.46 2.86 -0.87 -1.43 114.93 116.43 1xpt h MET 29 Ca -0.01 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.42 1xpt h MET 29 Cb 0.58 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 32.05 1xpt h MET 29 CO 0.01 0.87 0.51 0.52 1.06 0.00 0.00 176.91 179.89 1xpt h MET 30 N 0.94 1.17 -0.06 1.72 2.86 -1.21 -1.90 114.93 118.45 1xpt h MET 30 Ca 0.21 -0.11 -0.06 0.00 -2.06 0.00 0.00 59.70 57.69 1xpt h MET 30 Cb 0.28 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 31.69 1xpt h MET 30 CO -0.01 0.83 -0.18 -0.22 1.06 0.00 0.00 176.91 178.39 1xpt h LYS 31 N 1.19 0.23 0.00 1.72 1.63 -1.58 -0.48 116.57 119.28 1xpt h LYS 31 Ca 0.31 -0.16 -0.04 0.00 -0.85 0.00 0.00 60.65 59.90 1xpt h LYS 31 Cb -0.04 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.61 1xpt h LYS 31 CO -0.06 0.78 -0.19 0.66 -3.45 0.00 0.00 179.45 177.19 1xpt h SER 32 N -0.28 0.00 -0.47 4.20 4.64 -1.15 -2.26 113.55 118.23 1xpt h SER 32 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xpt h SER 32 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 1xpt h SER 32 CO 0.04 0.19 0.00 0.54 -0.87 0.00 0.00 176.83 176.73 1xpt n ARG 33 N -3.57 2.37 -2.73 4.77 5.12 -0.72 -4.93 116.66 116.96 1xpt n ARG 33 Ca -0.01 -1.81 -0.18 0.00 -1.93 0.00 0.00 57.85 53.92 1xpt n ARG 33 Cb 0.33 -1.48 0.02 0.00 -1.16 0.00 0.00 32.46 30.17 1xpt n ARG 33 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1xpt n ASN 34 N 0.84 -5.29 -0.78 0.55 2.85 -0.85 -4.87 115.26 107.72 1xpt n ASN 34 Ca 0.17 -0.18 0.12 0.00 -0.11 0.00 0.00 54.58 54.58 1xpt n ASN 34 Cb 0.49 -4.19 0.31 0.00 1.24 0.00 0.00 39.78 37.62 1xpt n ASN 34 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1xpt n LEU 35 N -3.13 2.37 -0.13 1.20 4.77 -0.19 -3.89 117.00 118.00 1xpt n LEU 35 Ca -0.13 -0.92 0.08 0.00 -0.03 0.00 0.00 56.01 55.02 1xpt n LEU 35 Cb 0.62 -0.10 0.12 0.00 -2.33 0.00 0.00 43.42 41.72 1xpt n LEU 35 CO 0.35 0.46 0.52 0.35 -1.33 0.00 0.00 177.39 177.74 1xpt n THR 36 N 0.81 1.60 0.18 -5.08 -2.24 -1.22 -2.99 114.28 105.33 1xpt n THR 36 Ca 0.17 -1.91 -0.14 0.00 -2.27 0.00 0.00 64.05 59.90 1xpt n THR 36 Cb 0.46 -0.11 -0.07 0.00 -2.10 0.00 0.00 70.33 68.51 1xpt n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1xpt h LYS 37 N 0.00 -0.51 0.00 -0.78 3.64 -1.91 -3.35 116.57 113.66 1xpt h LYS 37 Ca 0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1xpt h LYS 37 Cb 1.04 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1xpt h LYS 37 CO 0.00 -0.34 -1.01 -0.25 -2.27 0.00 0.00 179.45 175.58 1xpt n ASP 38 N -5.36 1.36 -3.65 4.20 8.00 -1.26 -5.04 116.55 114.81 1xpt n ASP 38 Ca -0.09 -0.41 -0.05 0.00 0.71 0.00 0.00 54.79 54.95 1xpt n ASP 38 Cb 0.27 1.25 -0.02 0.00 -0.02 0.00 0.00 41.12 42.61 1xpt n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xpt s ARG 39 N -2.43 0.98 -0.37 -1.24 1.70 -1.26 -5.08 118.95 111.26 1xpt s ARG 39 Ca 0.00 -0.48 -0.28 0.00 -0.47 0.00 0.00 55.73 54.51 1xpt s ARG 39 Cb 0.08 0.37 0.02 0.00 -0.57 0.00 0.00 34.95 34.85 1xpt s ARG 39 CO 0.48 -0.44 1.02 0.00 -1.08 0.00 0.00 175.30 175.28 1xpt s LYS 41 N 3.72 4.16 0.32 0.00 2.20 -1.16 -4.89 119.74 124.08 1xpt s LYS 41 Ca 0.43 2.50 0.03 0.00 -0.36 0.00 0.00 55.97 58.57 1xpt s LYS 41 Cb -0.11 -3.67 0.53 0.00 -1.51 0.00 0.00 37.83 33.07 1xpt s LYS 41 CO 0.19 -0.82 1.83 -1.00 -0.36 0.00 0.00 175.35 175.19 1xpt h PRO 42 N 8.74 0.53 -3.65 4.03 0.13 -1.94 -3.44 132.00 136.40 1xpt h PRO 42 Ca -0.45 -0.14 -0.19 0.00 -0.87 0.00 0.00 66.00 64.35 1xpt h PRO 42 Cb 1.21 -0.07 -0.25 0.00 0.13 0.00 0.00 31.00 32.03 1xpt h PRO 42 CO 0.94 0.61 -0.63 0.08 -0.23 0.00 0.00 178.00 178.78 1xpt s VAL 43 N -4.85 0.04 -0.21 1.56 1.01 -1.26 -1.74 120.40 114.95 1xpt s VAL 43 Ca -0.08 -0.34 -0.20 0.00 0.00 0.00 0.00 61.98 61.36 1xpt s VAL 43 Cb 0.15 -0.20 0.06 0.00 0.00 0.00 0.00 36.38 36.38 1xpt s VAL 43 CO 0.78 -0.19 0.58 0.21 0.00 0.00 0.00 175.10 176.48 1xpt s ASN 44 N -0.58 -0.60 -0.11 3.32 2.47 -0.43 -5.02 114.94 113.99 1xpt s ASN 44 Ca -0.06 1.15 0.02 0.00 0.42 0.00 0.00 52.86 54.38 1xpt s ASN 44 Cb -0.04 1.17 -0.01 0.00 -1.45 0.00 0.00 41.25 40.91 1xpt s ASN 44 CO 0.00 -0.22 -0.17 -0.89 -3.72 0.00 0.00 177.10 172.10 1xpt s THR 45 N 0.25 2.69 -0.02 -5.21 2.01 -1.26 -0.62 115.64 113.48 1xpt s THR 45 Ca -0.00 -0.80 0.01 0.00 0.31 0.00 0.00 61.69 61.21 1xpt s THR 45 Cb -0.04 -2.09 -0.03 0.00 0.01 0.00 0.00 72.50 70.34 1xpt s THR 45 CO 0.01 0.54 -0.01 -0.36 -0.69 0.00 0.00 174.62 174.11 1xpt s PHE 46 N 0.26 3.07 -0.17 4.92 0.08 -0.42 -4.48 117.98 121.24 1xpt s PHE 46 Ca -0.12 0.09 -0.03 0.00 0.12 0.00 0.00 56.93 56.99 1xpt s PHE 46 Cb -0.16 -1.69 -0.02 0.00 -0.57 0.00 0.00 43.02 40.58 1xpt s PHE 46 CO 0.06 0.45 -0.05 0.08 -0.10 0.00 0.00 175.22 175.66 1xpt s VAL 47 N -1.02 3.61 -0.85 -0.44 1.01 0.16 -1.26 120.40 121.60 1xpt s VAL 47 Ca 0.18 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1xpt s VAL 47 Cb -0.11 -2.59 0.34 0.00 0.00 0.00 0.00 36.38 34.02 1xpt s VAL 47 CO 0.08 0.47 1.69 1.41 0.00 0.00 0.00 175.10 178.75 1xpt n HIS 48 N 3.93 3.09 -4.35 5.22 -0.00 0.10 -1.36 115.22 121.84 1xpt n HIS 48 Ca -0.18 -2.75 -0.18 0.00 -0.00 0.00 0.00 57.72 54.61 1xpt n HIS 48 Cb 0.52 -0.98 -0.10 0.00 -0.00 0.00 0.00 29.99 29.42 1xpt n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1xpt s GLU 49 N -4.06 1.46 0.59 -0.41 0.41 -1.26 -4.62 118.70 110.82 1xpt s GLU 49 Ca 0.45 -1.79 -0.16 0.00 -0.41 0.00 0.00 54.97 53.06 1xpt s GLU 49 Cb 0.30 -0.48 -0.04 0.00 -1.78 0.00 0.00 34.13 32.14 1xpt s GLU 49 CO -0.23 -0.24 1.07 -1.54 -0.49 0.00 0.00 175.26 173.83 1xpt s SER 50 N -3.36 5.72 0.28 -0.19 1.04 -1.26 -4.31 113.70 111.62 1xpt s SER 50 Ca 0.36 1.87 -0.01 0.00 0.48 0.00 0.00 55.95 58.65 1xpt s SER 50 Cb 0.08 -2.54 0.46 0.00 0.10 0.00 0.00 66.02 64.11 1xpt s SER 50 CO 0.13 -1.21 1.89 0.25 0.98 0.00 0.00 173.24 175.29 1xpt h LEU 51 N 0.50 0.99 -0.86 2.42 5.85 -1.98 -2.11 115.31 120.12 1xpt h LEU 51 Ca -0.47 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.28 1xpt h LEU 51 Cb 1.23 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 42.00 1xpt h LEU 51 CO 0.57 0.63 0.56 0.00 -0.34 0.00 0.00 178.44 179.86 1xpt h ALA 52 N 1.48 1.11 -0.20 1.25 0.00 -1.99 0.15 119.26 121.06 1xpt h ALA 52 Ca 0.42 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.16 1xpt h ALA 52 Cb 0.18 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1xpt h ALA 52 CO -0.16 0.43 -0.41 -0.44 0.00 0.00 0.00 179.25 178.68 1xpt h ASP 53 N 1.11 0.48 -0.19 0.00 3.32 -1.77 -1.91 116.42 117.46 1xpt h ASP 53 Ca 0.33 -0.21 -0.21 0.00 0.02 0.00 0.00 57.03 56.96 1xpt h ASP 53 Cb -0.05 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 39.37 1xpt h ASP 53 CO -0.10 0.84 -0.69 0.58 -1.72 0.00 0.00 179.24 178.15 1xpt h VAL 54 N 0.38 1.28 -0.09 -1.35 2.07 -0.87 -3.13 116.25 114.54 1xpt h VAL 54 Ca 0.03 -1.89 -0.07 0.00 0.82 0.00 0.00 66.70 65.59 1xpt h VAL 54 Cb 0.88 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.54 1xpt h VAL 54 CO 0.07 0.60 -0.27 1.56 0.02 0.00 0.00 177.57 179.56 1xpt h GLN 55 N 0.54 0.16 0.00 1.57 4.20 -0.63 -2.69 115.11 118.25 1xpt h GLN 55 Ca -0.03 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 1xpt h GLN 55 Cb 1.32 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 29.08 1xpt h GLN 55 CO 0.15 0.42 -0.01 0.00 -0.67 0.00 0.00 178.83 178.72 1xpt h ALA 56 N 1.59 1.05 0.00 3.87 0.00 -1.28 -2.63 119.26 121.86 1xpt h ALA 56 Ca 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1xpt h ALA 56 Cb 0.56 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1xpt h ALA 56 CO 0.04 0.01 -0.06 0.28 0.00 0.00 0.00 179.25 179.52 1xpt h VAL 57 N 0.00 0.49 0.00 0.00 2.07 -1.53 -2.17 116.25 115.11 1xpt h VAL 57 Ca -0.00 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1xpt h VAL 57 Cb 0.14 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1xpt h VAL 57 CO 0.00 0.06 0.00 0.00 0.02 0.00 0.00 177.57 177.65 1xpt n SER 59 N -1.28 2.48 0.00 0.00 7.64 -0.82 -5.01 113.62 116.62 1xpt n SER 59 Ca 0.06 -2.50 0.00 0.00 1.01 0.00 0.00 58.87 57.44 1xpt n SER 59 Cb 0.10 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 1xpt n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xpt n GLN 60 N -0.69 1.99 -2.27 1.43 6.02 -0.23 -5.00 117.38 118.62 1xpt n GLN 60 Ca 0.10 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.66 1xpt n GLN 60 Cb 0.49 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.72 1xpt n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1xpt s LYS 61 N 4.66 3.53 0.04 -1.09 2.20 -1.05 -4.85 119.74 123.18 1xpt s LYS 61 Ca 0.00 1.06 -0.31 0.00 -0.36 0.00 0.00 55.97 56.37 1xpt s LYS 61 Cb 0.00 -4.06 -0.06 0.00 -1.51 0.00 0.00 37.83 32.20 1xpt s LYS 61 CO 0.00 -1.62 1.34 1.21 -0.36 0.00 0.00 175.35 175.92 1xpt s ASN 62 N 4.42 6.91 0.13 1.43 3.84 -1.26 -0.21 114.94 130.20 1xpt s ASN 62 Ca 0.66 2.13 0.01 0.00 0.21 0.00 0.00 52.86 55.87 1xpt s ASN 62 Cb -0.16 -2.57 -0.04 0.00 -0.55 0.00 0.00 41.25 37.93 1xpt s ASN 62 CO 0.33 -0.63 -0.02 0.68 -2.79 0.00 0.00 177.10 174.66 1xpt s VAL 63 N 1.71 0.57 0.32 -5.21 -7.23 -0.16 -4.90 120.40 105.50 1xpt s VAL 63 Ca 0.62 -1.94 -0.28 0.00 -1.81 0.00 0.00 61.98 58.57 1xpt s VAL 63 Cb -0.32 -1.90 -0.09 0.00 0.56 0.00 0.00 36.38 34.63 1xpt s VAL 63 CO 0.28 -0.66 1.08 0.00 -0.31 0.00 0.00 175.10 175.49 1xpt s ALA 64 N -3.72 3.30 0.63 1.32 0.00 -1.26 -3.40 121.76 118.64 1xpt s ALA 64 Ca 0.18 0.84 -0.10 0.00 0.00 0.00 0.00 51.96 52.88 1xpt s ALA 64 Cb 0.06 -3.31 -0.02 0.00 0.00 0.00 0.00 23.12 19.85 1xpt s ALA 64 CO -0.01 -0.18 1.01 0.00 0.00 0.00 0.00 175.76 176.58 1xpt h LYS 66 N -0.34 0.99 0.00 0.00 1.57 -1.93 -1.94 116.57 114.92 1xpt h LYS 66 Ca -0.45 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1xpt h LYS 66 Cb 1.21 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.30 1xpt h LYS 66 CO 0.62 0.66 0.00 0.27 -0.57 0.00 0.00 179.45 180.43 1xpt n ASN 67 N -4.45 0.00 0.00 0.86 6.94 -1.26 -4.90 115.26 112.45 1xpt n ASN 67 Ca 0.11 -1.13 0.00 0.00 -0.02 0.00 0.00 54.58 53.54 1xpt n ASN 67 Cb 0.12 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.54 1xpt n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1xpt n GLY 68 N 0.81 2.70 3.59 4.83 0.00 -0.73 -5.05 105.19 111.34 1xpt n GLY 68 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1xpt n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xpt s GLN 69 N -0.86 0.09 -0.03 1.61 -0.21 -1.26 -4.75 119.66 114.25 1xpt s GLN 69 Ca 0.00 1.04 0.04 0.00 0.02 0.00 0.00 55.36 56.47 1xpt s GLN 69 Cb 0.00 -1.66 0.07 0.00 1.00 0.00 0.00 33.01 32.42 1xpt s GLN 69 CO 0.00 -3.10 1.02 0.25 -2.12 0.00 0.00 175.29 171.34 1xpt n THR 70 N -4.51 1.18 -1.16 -0.19 -2.24 -1.26 -1.26 114.28 104.85 1xpt n THR 70 Ca 0.06 -1.27 -0.26 0.00 -2.27 0.00 0.00 64.05 60.32 1xpt n THR 70 Cb 0.54 0.34 0.14 0.00 -2.10 0.00 0.00 70.33 69.24 1xpt n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1xpt n ASN 71 N -0.71 4.97 -4.89 3.42 6.94 -1.26 -4.76 115.26 118.98 1xpt n ASN 71 Ca 0.04 -3.58 -0.33 0.00 -0.02 0.00 0.00 54.58 50.69 1xpt n ASN 71 Cb 0.35 -0.88 -0.05 0.00 -2.36 0.00 0.00 39.78 36.85 1xpt n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1xpt s TYR 73 N -1.35 0.43 -0.09 0.00 1.51 -0.24 -0.99 117.35 116.63 1xpt s TYR 73 Ca 0.29 -0.06 -0.09 0.00 -1.01 0.00 0.00 57.07 56.20 1xpt s TYR 73 Cb -0.13 -0.48 -0.04 0.00 -0.11 0.00 0.00 41.96 41.20 1xpt s TYR 73 CO 0.20 -0.14 0.22 -1.14 -1.11 0.00 0.00 175.55 173.58 1xpt s GLN 74 N 0.98 3.59 0.41 -0.62 0.74 0.71 -1.67 119.66 123.80 1xpt s GLN 74 Ca -0.10 0.02 -0.25 0.00 0.05 0.00 0.00 55.36 55.08 1xpt s GLN 74 Cb -0.14 -3.20 -0.08 0.00 1.10 0.00 0.00 33.01 30.68 1xpt s GLN 74 CO -0.01 0.74 1.24 -1.54 -0.55 0.00 0.00 175.29 175.17 1xpt s SER 75 N -1.01 6.37 0.36 6.67 1.04 -0.49 -2.52 113.70 124.11 1xpt s SER 75 Ca 0.17 2.50 0.12 0.00 0.48 0.00 0.00 55.95 59.22 1xpt s SER 75 Cb -0.13 -2.63 0.66 0.00 0.10 0.00 0.00 66.02 64.02 1xpt s SER 75 CO 0.07 -0.79 1.80 1.88 0.98 0.00 0.00 173.24 177.18 1xpt h TYR 76 N 2.61 0.05 -2.39 5.02 0.05 -1.96 -3.45 116.97 116.91 1xpt h TYR 76 Ca -0.49 -0.01 -0.53 0.00 0.05 0.00 0.00 58.73 57.75 1xpt h TYR 76 Cb 1.24 -0.01 -0.14 0.00 1.01 0.00 0.00 36.73 38.84 1xpt h TYR 76 CO 0.54 0.42 -0.59 -1.54 -1.05 0.00 0.00 178.16 175.94 1xpt s SER 77 N -6.92 2.86 0.78 3.88 1.04 -1.26 -5.11 113.70 108.97 1xpt s SER 77 Ca -0.03 -1.44 -0.11 0.00 0.48 0.00 0.00 55.95 54.85 1xpt s SER 77 Cb 0.14 -0.02 0.06 0.00 0.10 0.00 0.00 66.02 66.30 1xpt s SER 77 CO 0.73 -0.64 1.09 0.42 0.98 0.00 0.00 173.24 175.82 1xpt s THR 78 N -3.14 3.33 0.05 2.02 -4.23 -1.26 -4.53 115.64 107.88 1xpt s THR 78 Ca 0.32 0.43 0.02 0.00 -1.18 0.00 0.00 61.69 61.29 1xpt s THR 78 Cb 0.08 -2.97 -0.03 0.00 1.34 0.00 0.00 72.50 70.92 1xpt s THR 78 CO 0.15 -0.57 -0.08 -0.04 -0.54 0.00 0.00 174.62 173.55 1xpt s MET 79 N -4.95 0.57 -0.07 3.99 -1.94 0.11 -4.88 119.30 112.13 1xpt s MET 79 Ca 0.61 -0.84 -0.30 0.00 -1.71 0.00 0.00 55.69 53.45 1xpt s MET 79 Cb -0.17 -0.28 -0.03 0.00 2.01 0.00 0.00 34.83 36.36 1xpt s MET 79 CO 0.56 0.04 1.31 0.45 -0.01 0.00 0.00 175.02 177.37 1xpt s SER 80 N -1.79 6.93 0.13 3.03 0.15 -1.26 -2.23 113.70 118.67 1xpt s SER 80 Ca -0.07 1.89 -0.00 0.00 0.70 0.00 0.00 55.95 58.47 1xpt s SER 80 Cb -0.08 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.64 1xpt s SER 80 CO -0.00 -0.70 0.03 0.27 1.20 0.00 0.00 173.24 174.03 1xpt s ILE 81 N 2.78 0.29 -0.08 6.45 -4.36 -0.62 -0.72 121.20 124.94 1xpt s ILE 81 Ca 0.59 -1.92 0.01 0.00 -0.26 0.00 0.00 60.65 59.07 1xpt s ILE 81 Cb -0.26 -1.99 0.02 0.00 1.25 0.00 0.00 42.46 41.48 1xpt s ILE 81 CO 0.22 -0.55 -0.08 -0.89 0.24 0.00 0.00 174.94 173.88 1xpt s THR 82 N -3.91 0.96 -0.24 8.37 2.01 -0.39 -1.59 115.64 120.84 1xpt s THR 82 Ca 0.22 -0.31 -0.14 0.00 0.31 0.00 0.00 61.69 61.76 1xpt s THR 82 Cb 0.07 -0.95 -0.04 0.00 0.01 0.00 0.00 72.50 71.59 1xpt s THR 82 CO 0.01 0.34 0.35 -0.62 -0.69 0.00 0.00 174.62 174.00 1xpt s ASP 83 N 1.25 6.28 -0.19 3.53 2.15 -0.04 -1.30 116.67 128.35 1xpt s ASP 83 Ca -0.04 0.33 -0.05 0.00 0.43 0.00 0.00 52.55 53.22 1xpt s ASP 83 Cb -0.14 -2.20 -0.02 0.00 -0.30 0.00 0.00 42.92 40.26 1xpt s ASP 83 CO -0.03 -0.11 -0.01 0.00 -0.17 0.00 0.00 175.17 174.85 1xpt s ARG 85 N 0.93 0.43 0.35 0.00 3.52 -0.97 -1.32 118.95 121.90 1xpt s ARG 85 Ca 0.01 -0.12 -0.29 0.00 -0.13 0.00 0.00 55.73 55.20 1xpt s ARG 85 Cb -0.14 -0.45 -0.11 0.00 -1.56 0.00 0.00 34.95 32.69 1xpt s ARG 85 CO 0.02 0.04 1.49 -1.21 -0.81 0.00 0.00 175.30 174.82 1xpt s GLU 86 N 0.22 4.14 0.53 5.12 2.02 -0.71 -0.25 118.70 129.78 1xpt s GLU 86 Ca -0.02 2.52 -0.03 0.00 0.02 0.00 0.00 54.97 57.46 1xpt s GLU 86 Cb -0.06 -3.00 0.00 0.00 0.10 0.00 0.00 34.13 31.18 1xpt s GLU 86 CO -0.00 -0.51 0.81 0.95 0.02 0.00 0.00 175.26 176.52 1xpt s THR 87 N -0.82 3.78 -1.02 3.63 -4.23 -0.30 -4.81 115.64 111.87 1xpt s THR 87 Ca 0.55 -0.20 0.09 0.00 -1.18 0.00 0.00 61.69 60.95 1xpt s THR 87 Cb -0.46 -3.46 0.08 0.00 1.34 0.00 0.00 72.50 70.00 1xpt s THR 87 CO 0.58 -0.41 1.28 0.61 -0.54 0.00 0.00 174.62 176.13 1xpt n GLY 88 N -2.38 -0.79 0.32 3.99 0.00 -1.26 -1.74 105.19 103.31 1xpt n GLY 88 Ca 0.03 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1xpt n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xpt n SER 89 N -1.49 1.58 -4.72 1.61 3.41 -1.26 -4.96 113.62 107.79 1xpt n SER 89 Ca 0.02 -1.26 -0.42 0.00 -0.26 0.00 0.00 58.87 56.96 1xpt n SER 89 Cb 0.10 0.57 -0.03 0.00 -0.26 0.00 0.00 64.21 64.59 1xpt n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1xpt s SER 90 N -2.65 6.81 -0.22 4.04 0.15 -0.71 -4.87 113.70 116.25 1xpt s SER 90 Ca 0.16 2.35 -0.05 0.00 0.70 0.00 0.00 55.95 59.11 1xpt s SER 90 Cb 0.18 -2.59 0.11 0.00 -1.71 0.00 0.00 66.02 62.01 1xpt s SER 90 CO 0.65 -0.66 0.42 -0.75 1.20 0.00 0.00 173.24 174.10 1xpt s LYS 91 N 1.07 0.35 0.25 5.44 2.36 -0.91 -4.88 119.74 123.41 1xpt s LYS 91 Ca 0.65 0.86 -0.30 0.00 -2.55 0.00 0.00 55.97 54.63 1xpt s LYS 91 Cb -0.37 0.06 -0.14 0.00 -1.05 0.00 0.00 37.83 36.33 1xpt s LYS 91 CO 0.31 -0.41 1.15 0.98 1.55 0.00 0.00 175.35 178.92 1xpt n TYR 92 N 5.38 1.51 1.97 4.03 9.36 -1.26 0.35 117.16 138.51 1xpt n TYR 92 Ca -0.06 0.64 0.13 0.00 3.32 0.00 0.00 57.90 61.92 1xpt n TYR 92 Cb 0.50 -2.31 0.75 0.00 -0.63 0.00 0.00 39.34 37.65 1xpt n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1xpt n PRO 93 N 1.24 1.03 -2.59 2.98 -0.04 -1.26 -4.96 135.00 131.40 1xpt n PRO 93 Ca 0.11 -0.04 -0.42 0.00 -0.04 0.00 0.00 63.50 63.11 1xpt n PRO 93 Cb 0.30 -1.40 0.01 0.00 -0.04 0.00 0.00 33.50 32.36 1xpt n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1xpt n ASN 94 N -0.85 6.18 -4.75 3.54 3.02 0.15 -5.01 115.26 117.54 1xpt n ASN 94 Ca 0.19 -3.30 -0.41 0.00 -0.03 0.00 0.00 54.58 51.04 1xpt n ASN 94 Cb 0.10 -1.35 -0.03 0.00 -0.61 0.00 0.00 39.78 37.89 1xpt n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xpt s ALA 96 N -0.52 0.84 0.10 0.00 0.00 -1.26 -4.90 121.76 116.01 1xpt s ALA 96 Ca 0.52 -0.37 0.06 0.00 0.00 0.00 0.00 51.96 52.17 1xpt s ALA 96 Cb -0.37 -0.27 -0.03 0.00 0.00 0.00 0.00 23.12 22.45 1xpt s ALA 96 CO 0.44 0.16 -0.14 0.71 0.00 0.00 0.00 175.76 176.93 1xpt s TYR 97 N 0.01 1.33 -0.20 0.00 2.02 -1.26 -1.15 117.35 118.09 1xpt s TYR 97 Ca -0.00 -0.51 -0.10 0.00 -0.37 0.00 0.00 57.07 56.08 1xpt s TYR 97 Cb -0.06 -0.72 -0.05 0.00 -0.40 0.00 0.00 41.96 40.73 1xpt s TYR 97 CO 0.00 0.10 0.15 0.21 -1.57 0.00 0.00 175.55 174.44 1xpt s LYS 98 N -2.26 4.18 -0.21 -0.62 2.36 0.66 -4.66 119.74 119.19 1xpt s LYS 98 Ca 0.04 -0.20 -0.12 0.00 -2.55 0.00 0.00 55.97 53.14 1xpt s LYS 98 Cb -0.07 -3.44 -0.05 0.00 -1.05 0.00 0.00 37.83 33.22 1xpt s LYS 98 CO 0.03 0.26 0.24 0.99 1.55 0.00 0.00 175.35 178.41 1xpt s THR 99 N 0.49 5.32 -0.11 3.43 2.01 -1.26 -2.28 115.64 123.23 1xpt s THR 99 Ca 0.09 0.38 -0.01 0.00 0.31 0.00 0.00 61.69 62.46 1xpt s THR 99 Cb -0.12 -3.58 0.03 0.00 0.01 0.00 0.00 72.50 68.85 1xpt s THR 99 CO -0.00 0.34 -0.04 -0.89 -0.69 0.00 0.00 174.62 173.33 1xpt s THR 100 N 0.91 0.81 0.14 -0.82 2.01 -0.88 -5.01 115.64 112.81 1xpt s THR 100 Ca 0.12 -0.21 -0.25 0.00 0.31 0.00 0.00 61.69 61.66 1xpt s THR 100 Cb -0.13 -0.91 -0.08 0.00 0.01 0.00 0.00 72.50 71.39 1xpt s THR 100 CO 0.04 0.28 0.77 -1.10 -0.69 0.00 0.00 174.62 173.93 1xpt s GLN 101 N 1.79 4.55 0.21 4.92 1.11 -1.26 -0.86 119.66 130.12 1xpt s GLN 101 Ca 0.04 1.14 -0.20 0.00 0.01 0.00 0.00 55.36 56.35 1xpt s GLN 101 Cb -0.13 -3.28 0.04 0.00 -1.01 0.00 0.00 33.01 28.63 1xpt s GLN 101 CO -0.07 0.52 0.60 0.00 0.01 0.00 0.00 175.29 176.35 1xpt s ALA 102 N -0.96 -1.23 -0.34 6.09 0.00 -0.62 -4.97 121.76 119.73 1xpt s ALA 102 Ca 0.36 -0.02 0.04 0.00 0.00 0.00 0.00 51.96 52.34 1xpt s ALA 102 Cb -0.23 0.86 0.10 0.00 0.00 0.00 0.00 23.12 23.86 1xpt s ALA 102 CO 0.26 -0.86 0.06 -0.80 0.00 0.00 0.00 175.76 174.42 1xpt s ASN 103 N -2.85 4.70 0.16 0.00 -0.87 -1.26 -1.59 114.94 113.24 1xpt s ASN 103 Ca 0.07 -2.15 0.01 0.00 -1.57 0.00 0.00 52.86 49.22 1xpt s ASN 103 Cb -0.02 -1.58 -0.04 0.00 -0.02 0.00 0.00 41.25 39.58 1xpt s ASN 103 CO -0.03 -0.38 0.01 -0.54 -2.57 0.00 0.00 177.10 173.59 1xpt s LYS 104 N 0.91 1.07 0.38 -0.60 1.02 -0.95 -4.77 119.74 116.81 1xpt s LYS 104 Ca 0.11 -1.51 -0.23 0.00 0.02 0.00 0.00 55.97 54.35 1xpt s LYS 104 Cb -0.19 -0.18 -0.10 0.00 -0.52 0.00 0.00 37.83 36.84 1xpt s LYS 104 CO -0.09 -0.15 0.95 -1.01 -0.92 0.00 0.00 175.35 174.13 1xpt s HIS 105 N -3.72 3.48 0.14 3.18 3.76 -1.26 0.04 115.29 120.91 1xpt s HIS 105 Ca 0.24 1.69 0.09 0.00 -0.15 0.00 0.00 55.06 56.92 1xpt s HIS 105 Cb 0.06 -2.89 -0.04 0.00 1.11 0.00 0.00 32.58 30.82 1xpt s HIS 105 CO 0.03 0.01 -0.14 0.96 -0.85 0.00 0.00 174.74 174.76 1xpt s ILE 106 N -1.91 3.04 -0.18 0.60 -4.36 -1.26 -0.66 121.20 116.46 1xpt s ILE 106 Ca 0.57 -1.54 0.01 0.00 -0.26 0.00 0.00 60.65 59.42 1xpt s ILE 106 Cb -0.14 -2.45 0.03 0.00 1.25 0.00 0.00 42.46 41.15 1xpt s ILE 106 CO 0.18 0.01 -0.16 -0.63 0.24 0.00 0.00 174.94 174.59 1xpt s ILE 107 N -1.39 1.87 0.18 8.37 1.01 0.36 -1.40 121.20 130.20 1xpt s ILE 107 Ca 0.21 -0.92 0.10 0.00 0.00 0.00 0.00 60.65 60.04 1xpt s ILE 107 Cb -0.10 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.57 1xpt s ILE 107 CO 0.13 0.41 -0.22 0.68 0.00 0.00 0.00 174.94 175.94 1xpt s VAL 108 N 1.35 2.14 -0.10 2.92 -7.23 -0.67 -0.64 120.40 118.17 1xpt s VAL 108 Ca 0.03 -1.97 -0.12 0.00 -1.81 0.00 0.00 61.98 58.10 1xpt s VAL 108 Cb -0.14 -2.00 -0.05 0.00 0.56 0.00 0.00 36.38 34.75 1xpt s VAL 108 CO -0.11 -0.19 0.29 0.00 -0.31 0.00 0.00 175.10 174.78 1xpt s ALA 109 N -1.79 3.70 0.03 1.32 0.00 -0.26 -1.07 121.76 123.68 1xpt s ALA 109 Ca 0.18 -0.43 0.08 0.00 0.00 0.00 0.00 51.96 51.79 1xpt s ALA 109 Cb -0.07 -2.28 -0.03 0.00 0.00 0.00 0.00 23.12 20.74 1xpt s ALA 109 CO 0.08 0.35 -0.22 0.00 0.00 0.00 0.00 175.76 175.98 1xpt s GLU 111 N -1.23 1.08 0.74 0.00 2.02 -0.15 -4.89 118.70 116.27 1xpt s GLU 111 Ca 0.13 -0.93 0.00 0.00 0.02 0.00 0.00 54.97 54.19 1xpt s GLU 111 Cb -0.10 0.42 0.00 0.00 0.10 0.00 0.00 34.13 34.54 1xpt s GLU 111 CO 0.03 -0.40 0.00 0.41 0.02 0.00 0.00 175.26 175.32 1xpt n GLY 112 N -0.20 -1.98 2.79 -1.39 0.00 -1.26 -1.92 105.19 101.23 1xpt n GLY 112 Ca -0.12 -1.38 -0.27 0.00 0.00 0.00 0.00 46.02 44.25 1xpt n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xpt s ASN 113 N -3.67 2.74 0.48 1.61 3.04 -1.26 -2.27 114.94 115.60 1xpt s ASN 113 Ca 0.00 -0.69 -0.24 0.00 0.04 0.00 0.00 52.86 51.97 1xpt s ASN 113 Cb 0.00 -0.69 -0.07 0.00 -1.54 0.00 0.00 41.25 38.95 1xpt s ASN 113 CO 0.00 -0.25 1.38 -2.16 -3.04 0.00 0.00 177.10 173.03 1xpt s PRO 114 N 1.79 3.55 -0.54 0.43 0.04 -1.26 -5.06 135.00 133.94 1xpt s PRO 114 Ca 0.00 2.30 -0.27 0.00 0.04 0.00 0.00 61.00 63.07 1xpt s PRO 114 Cb -0.16 -2.53 -0.02 0.00 0.04 0.00 0.00 34.50 31.83 1xpt s PRO 114 CO -0.07 -0.89 1.82 -0.47 0.04 0.00 0.00 177.00 177.42 1xpt s TYR 115 N -1.26 1.74 0.20 0.56 5.04 -0.96 -4.86 117.35 117.82 1xpt s TYR 115 Ca 0.64 0.74 0.05 0.00 -2.44 0.00 0.00 57.07 56.06 1xpt s TYR 115 Cb -0.41 -4.11 -0.05 0.00 0.35 0.00 0.00 41.96 37.73 1xpt s TYR 115 CO 0.52 -2.42 -0.08 0.14 -1.34 0.00 0.00 175.55 172.37 1xpt s VAL 116 N 8.37 1.33 0.28 3.14 -7.23 -0.81 -4.86 120.40 120.61 1xpt s VAL 116 Ca 0.69 -2.10 -0.29 0.00 -1.81 0.00 0.00 61.98 58.47 1xpt s VAL 116 Cb -0.15 -2.13 -0.10 0.00 0.56 0.00 0.00 36.38 34.56 1xpt s VAL 116 CO 0.24 -0.52 1.33 -2.84 -0.31 0.00 0.00 175.10 173.00 1xpt s PRO 117 N -3.76 4.35 0.00 4.82 0.02 -1.26 -0.98 135.00 138.20 1xpt s PRO 117 Ca 0.23 2.18 0.00 0.00 0.02 0.00 0.00 61.00 63.44 1xpt s PRO 117 Cb 0.03 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.44 1xpt s PRO 117 CO 0.06 -0.24 0.13 1.33 -0.33 0.00 0.00 177.00 177.95 1xpt n VAL 118 N 1.62 0.00 -3.67 3.83 0.24 -0.26 -4.55 118.33 115.54 1xpt n VAL 118 Ca 0.03 -0.26 -0.13 0.00 -2.04 0.00 0.00 64.34 61.93 1xpt n VAL 118 Cb 0.42 1.24 -0.08 0.00 -1.47 0.00 0.00 33.84 33.94 1xpt n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1xpt s HIS 119 N -0.26 -0.68 -0.34 6.34 5.65 -1.19 -4.64 115.29 120.16 1xpt s HIS 119 Ca 0.00 1.64 -0.12 0.00 0.25 0.00 0.00 55.06 56.84 1xpt s HIS 119 Cb 0.00 0.25 -0.01 0.00 -1.18 0.00 0.00 32.58 31.64 1xpt s HIS 119 CO 0.00 -0.33 0.21 0.12 -0.65 0.00 0.00 174.74 174.09 1xpt s PHE 120 N 0.40 3.21 -0.14 3.88 2.19 -1.26 -1.10 117.98 125.15 1xpt s PHE 120 Ca -0.01 -0.47 -0.24 0.00 0.33 0.00 0.00 56.93 56.55 1xpt s PHE 120 Cb -0.04 -2.43 -0.25 0.00 -1.31 0.00 0.00 43.02 38.98 1xpt s PHE 120 CO -0.00 -0.45 0.59 0.22 1.83 0.00 0.00 175.22 177.41 1xpt h ASP 121 N 8.44 0.11 -5.80 6.13 3.58 -1.22 -3.49 116.42 124.18 1xpt h ASP 121 Ca -0.31 -0.83 0.33 0.00 0.42 0.00 0.00 57.03 56.64 1xpt h ASP 121 Cb 1.14 -0.04 -0.10 0.00 1.72 0.00 0.00 39.33 42.06 1xpt h ASP 121 CO 0.64 1.28 0.86 0.00 -2.88 0.00 0.00 179.24 179.13 1xpt s ALA 122 N -2.32 -2.31 0.03 -0.78 0.00 -1.13 -4.97 121.76 110.26 1xpt s ALA 122 Ca -0.21 0.45 0.07 0.00 0.00 0.00 0.00 51.96 52.27 1xpt s ALA 122 Cb 0.01 0.55 -0.02 0.00 0.00 0.00 0.00 23.12 23.65 1xpt s ALA 122 CO 0.69 -1.09 -0.21 -1.54 0.00 0.00 0.00 175.76 173.61 1xpt s SER 123 N -3.28 2.53 0.00 0.00 1.04 -1.26 -0.49 113.70 112.25 1xpt s SER 123 Ca 0.20 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.14 1xpt s SER 123 Cb 0.03 -0.23 0.00 0.00 0.10 0.00 0.00 66.02 65.92 1xpt s SER 123 CO -0.03 0.20 0.35 1.33 0.98 0.00 0.00 173.24 176.07