#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rnu s GLU 2 N 0.00 4.26 0.87 1.64 2.02 -1.26 -5.07 118.70 121.17 1rnu s GLU 2 Ca 0.00 0.86 -0.12 0.00 0.02 0.00 0.00 54.97 55.73 1rnu s GLU 2 Cb 0.00 -2.95 0.11 0.00 0.10 0.00 0.00 34.13 31.40 1rnu s GLU 2 CO 0.00 0.44 1.15 0.95 0.02 0.00 0.00 175.26 177.82 1rnu s THR 3 N -1.45 2.00 0.29 3.63 -4.23 -1.26 -4.86 115.64 109.76 1rnu s THR 3 Ca 0.41 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.94 1rnu s THR 3 Cb -0.17 -2.85 0.08 0.00 1.34 0.00 0.00 72.50 70.90 1rnu s THR 3 CO 0.21 -0.00 1.74 0.00 -0.54 0.00 0.00 174.62 176.04 1rnu h ALA 4 N -1.32 1.13 -0.34 3.99 0.00 -1.97 -0.76 119.26 120.00 1rnu h ALA 4 Ca -0.49 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.03 1rnu h ALA 4 Cb 1.33 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1rnu h ALA 4 CO 0.64 0.54 -0.06 0.00 0.00 0.00 0.00 179.25 180.37 1rnu h ALA 5 N 1.33 0.46 -0.69 0.00 0.00 -1.89 -1.37 119.26 117.10 1rnu h ALA 5 Ca 0.07 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1rnu h ALA 5 Cb 0.61 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1rnu h ALA 5 CO 0.04 0.29 0.27 0.00 0.00 0.00 0.00 179.25 179.85 1rnu h ALA 6 N 0.82 0.89 -0.52 0.00 0.00 -1.83 -2.44 119.26 116.19 1rnu h ALA 6 Ca 0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1rnu h ALA 6 Cb 0.55 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1rnu h ALA 6 CO 0.03 0.51 0.24 -0.22 0.00 0.00 0.00 179.25 179.82 1rnu h LYS 7 N 0.98 0.76 -0.44 0.00 3.64 -1.01 -0.85 116.57 119.64 1rnu h LYS 7 Ca 0.23 -0.12 0.08 0.00 -1.27 0.00 0.00 60.65 59.57 1rnu h LYS 7 Cb 0.21 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 31.84 1rnu h LYS 7 CO -0.02 0.63 0.06 0.35 -2.27 0.00 0.00 179.45 178.21 1rnu h PHE 8 N 0.70 0.09 -0.23 1.91 3.04 -1.06 -0.23 116.94 121.16 1rnu h PHE 8 Ca 0.18 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.14 1rnu h PHE 8 Cb 0.13 0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.66 1rnu h PHE 8 CO -0.00 -0.02 0.09 0.93 -2.02 0.00 0.00 178.31 177.28 1rnu h GLU 9 N 0.19 0.34 -0.80 1.11 5.08 -1.00 0.19 114.58 119.68 1rnu h GLU 9 Ca 0.22 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 1rnu h GLU 9 Cb 0.29 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 1rnu h GLU 9 CO -0.31 0.39 0.38 -0.09 -1.00 0.00 0.00 179.01 178.38 1rnu h ARG 10 N 0.22 1.15 0.00 2.33 2.43 -0.90 -1.61 114.38 118.00 1rnu h ARG 10 Ca 0.08 -0.17 -0.18 0.00 -0.81 0.00 0.00 59.98 58.89 1rnu h ARG 10 Cb 0.17 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 1rnu h ARG 10 CO -0.01 0.89 -0.86 1.96 -1.51 0.00 0.00 179.97 180.45 1rnu h GLN 11 N 1.13 0.00 0.00 0.20 4.20 -0.92 -3.42 115.11 116.30 1rnu h GLN 11 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 1rnu h GLN 11 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1rnu h GLN 11 CO -0.03 0.86 -0.29 0.72 -0.67 0.00 0.00 178.83 179.41 1rnu n HIS 12 N -3.38 0.00 -3.64 2.96 8.25 0.04 -4.75 115.22 114.71 1rnu n HIS 12 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 1rnu n HIS 12 Cb 0.86 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.90 1rnu n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1rnu s MET 13 N -1.06 4.13 -0.46 -0.41 -1.94 -0.61 -0.02 119.30 118.93 1rnu s MET 13 Ca 0.00 -0.03 0.06 0.00 -1.71 0.00 0.00 55.69 54.02 1rnu s MET 13 Cb 0.00 -3.39 0.22 0.00 2.01 0.00 0.00 34.83 33.67 1rnu s MET 13 CO 0.00 0.34 0.66 -3.47 -0.01 0.00 0.00 175.02 172.54 1rnu n ASP 14 N 3.30 -1.83 -0.84 3.03 2.03 0.07 -4.86 116.55 117.46 1rnu n ASP 14 Ca -0.14 -2.89 0.00 0.00 0.52 0.00 0.00 54.79 52.28 1rnu n ASP 14 Cb 0.52 0.76 0.00 0.00 -0.72 0.00 0.00 41.12 41.68 1rnu n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1rnu n SER 15 N 2.12 0.00 -1.32 1.67 7.64 -1.25 -4.14 113.62 118.35 1rnu n SER 15 Ca 0.18 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.94 1rnu n SER 15 Cb 0.56 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.77 1rnu n SER 15 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1rnu n ASN 24 N 0.63 -1.59 -0.26 6.43 0.23 -1.26 -4.97 115.26 114.47 1rnu n ASN 24 Ca 0.00 0.04 0.01 0.00 -0.53 0.00 0.00 54.58 54.09 1rnu n ASN 24 Cb 0.00 -0.22 0.13 0.00 -2.08 0.00 0.00 39.78 37.62 1rnu n ASN 24 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 1rnu h TYR 25 N -0.33 0.72 -0.32 -2.53 3.20 -1.99 -1.77 116.97 113.95 1rnu h TYR 25 Ca -0.14 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.69 1rnu h TYR 25 Cb 0.44 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 1rnu h TYR 25 CO 0.04 0.30 -0.09 0.00 -1.64 0.00 0.00 178.16 176.78 1rnu h ASN 27 N 0.40 0.94 -0.09 0.00 2.35 -1.82 0.50 115.58 117.85 1rnu h ASN 27 Ca 0.08 -0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.74 1rnu h ASN 27 Cb 0.58 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.72 1rnu h ASN 27 CO 0.03 0.70 -0.14 -0.61 -1.65 0.00 0.00 177.43 175.77 1rnu h GLN 28 N 1.09 0.25 0.00 0.81 5.75 -1.10 -2.81 115.11 119.11 1rnu h GLN 28 Ca 0.29 -0.15 -0.21 0.00 -0.15 0.00 0.00 58.65 58.43 1rnu h GLN 28 Cb -0.09 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.47 1rnu h GLN 28 CO -0.06 0.72 -0.91 0.52 -2.65 0.00 0.00 178.83 176.45 1rnu h MET 29 N -0.19 0.28 -0.36 1.69 2.86 -0.65 0.39 114.93 118.94 1rnu h MET 29 Ca 0.01 -0.31 -0.04 0.00 -2.06 0.00 0.00 59.70 57.30 1rnu h MET 29 Cb 0.69 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.42 1rnu h MET 29 CO 0.03 1.02 0.05 0.52 1.06 0.00 0.00 176.91 179.59 1rnu h MET 30 N 0.16 0.54 0.01 1.72 2.86 -0.96 -0.05 114.93 119.20 1rnu h MET 30 Ca -0.06 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1rnu h MET 30 Cb 1.54 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 33.12 1rnu h MET 30 CO 0.15 0.53 -0.00 -0.22 1.06 0.00 0.00 176.91 178.42 1rnu h LYS 31 N 0.53 -0.01 -1.00 1.72 3.64 -1.22 0.30 116.57 120.53 1rnu h LYS 31 Ca 0.12 0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.65 1rnu h LYS 31 Cb 0.26 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 31.99 1rnu h LYS 31 CO 0.00 0.78 0.62 0.77 -2.27 0.00 0.00 179.45 179.34 1rnu h SER 32 N -0.82 0.86 -0.32 4.20 0.02 -0.69 -0.35 113.55 116.45 1rnu h SER 32 Ca -0.00 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1rnu h SER 32 Cb 0.79 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.24 1rnu h SER 32 CO 0.00 0.39 0.00 0.54 -1.14 0.00 0.00 176.83 176.63 1rnu n ARG 33 N -4.69 2.73 -3.56 3.45 5.12 -0.05 -4.89 116.66 114.77 1rnu n ARG 33 Ca 0.21 -1.56 -0.23 0.00 -1.93 0.00 0.00 57.85 54.33 1rnu n ARG 33 Cb 0.44 -1.75 0.08 0.00 -1.16 0.00 0.00 32.46 30.08 1rnu n ARG 33 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1rnu n ASN 34 N 0.40 -6.11 -0.10 0.55 4.05 -0.14 -4.78 115.26 109.13 1rnu n ASN 34 Ca 0.14 -0.53 -0.11 0.00 0.45 0.00 0.00 54.58 54.53 1rnu n ASN 34 Cb 0.64 -4.91 -0.14 0.00 1.23 0.00 0.00 39.78 36.59 1rnu n ASN 34 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1rnu n LEU 35 N -4.86 0.82 -0.61 1.20 4.32 0.05 -4.62 117.00 113.30 1rnu n LEU 35 Ca -0.00 -0.04 0.06 0.00 -0.02 0.00 0.00 56.01 56.01 1rnu n LEU 35 Cb 0.56 0.10 0.19 0.00 -1.62 0.00 0.00 43.42 42.66 1rnu n LEU 35 CO 0.63 0.59 0.36 0.35 -1.22 0.00 0.00 177.39 178.10 1rnu n THR 36 N -2.85 2.01 0.08 -5.08 -2.24 -0.91 -4.45 114.28 100.85 1rnu n THR 36 Ca -0.34 -2.98 -0.11 0.00 -2.27 0.00 0.00 64.05 58.35 1rnu n THR 36 Cb 1.08 -0.15 -0.10 0.00 -2.10 0.00 0.00 70.33 69.05 1rnu n THR 36 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1rnu h LYS 37 N 0.90 0.16 0.00 -0.78 1.57 -1.82 -3.38 116.57 113.22 1rnu h LYS 37 Ca -0.02 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1rnu h LYS 37 Cb 1.07 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 1rnu h LYS 37 CO 0.01 1.08 -0.25 -0.40 -0.57 0.00 0.00 179.45 179.32 1rnu n ASP 38 N -3.49 1.29 -3.62 0.86 5.68 -1.26 -5.06 116.55 110.94 1rnu n ASP 38 Ca -0.04 -2.61 -0.01 0.00 -0.50 0.00 0.00 54.79 51.62 1rnu n ASP 38 Cb 0.95 -0.33 -0.01 0.00 -1.14 0.00 0.00 41.12 40.59 1rnu n ASP 38 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 1rnu s ARG 39 N -1.58 0.47 -0.20 0.11 3.52 -1.26 -5.13 118.95 114.88 1rnu s ARG 39 Ca 0.18 -0.23 -0.04 0.00 -0.13 0.00 0.00 55.73 55.51 1rnu s ARG 39 Cb 0.16 0.18 -0.02 0.00 -1.56 0.00 0.00 34.95 33.71 1rnu s ARG 39 CO 0.01 -0.21 -0.03 0.00 -0.81 0.00 0.00 175.30 174.26 1rnu s LYS 41 N 1.05 4.30 0.15 0.00 2.20 -1.26 -5.01 119.74 121.18 1rnu s LYS 41 Ca 0.01 0.31 -0.17 0.00 -0.36 0.00 0.00 55.97 55.76 1rnu s LYS 41 Cb -0.15 -3.44 0.07 0.00 -1.51 0.00 0.00 37.83 32.80 1rnu s LYS 41 CO 0.01 0.17 1.71 -1.35 -0.36 0.00 0.00 175.35 175.53 1rnu h PRO 42 N 6.76 0.12 -3.75 4.03 0.11 -1.99 -3.43 132.00 133.86 1rnu h PRO 42 Ca -0.41 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.54 1rnu h PRO 42 Cb 1.17 -0.03 -0.21 0.00 0.11 0.00 0.00 31.00 32.05 1rnu h PRO 42 CO 0.75 0.08 -0.59 0.08 -0.21 0.00 0.00 178.00 178.11 1rnu s VAL 43 N -6.18 0.10 -0.13 3.15 1.01 -1.26 -0.86 120.40 116.23 1rnu s VAL 43 Ca -0.13 -0.82 -0.26 0.00 0.00 0.00 0.00 61.98 60.77 1rnu s VAL 43 Cb 0.13 -0.37 0.06 0.00 0.00 0.00 0.00 36.38 36.20 1rnu s VAL 43 CO 0.70 -0.45 0.63 0.21 0.00 0.00 0.00 175.10 176.20 1rnu s ASN 44 N -1.46 -0.62 -0.10 3.32 2.47 -0.39 -5.01 114.94 113.15 1rnu s ASN 44 Ca -0.15 0.90 0.02 0.00 0.42 0.00 0.00 52.86 54.05 1rnu s ASN 44 Cb -0.08 0.85 -0.02 0.00 -1.45 0.00 0.00 41.25 40.55 1rnu s ASN 44 CO 0.00 -0.43 -0.16 -0.89 -3.72 0.00 0.00 177.10 171.90 1rnu s THR 45 N -0.56 2.87 -0.07 -5.21 2.01 -1.26 -0.63 115.64 112.78 1rnu s THR 45 Ca -0.07 -0.75 -0.01 0.00 0.31 0.00 0.00 61.69 61.17 1rnu s THR 45 Cb -0.02 -2.16 -0.03 0.00 0.01 0.00 0.00 72.50 70.29 1rnu s THR 45 CO 0.06 0.55 0.00 -0.36 -0.69 0.00 0.00 174.62 174.18 1rnu s PHE 46 N 0.03 3.15 -0.14 4.92 0.08 -0.25 -4.44 117.98 121.32 1rnu s PHE 46 Ca -0.05 0.17 -0.02 0.00 0.12 0.00 0.00 56.93 57.14 1rnu s PHE 46 Cb -0.15 -1.76 -0.02 0.00 -0.57 0.00 0.00 43.02 40.52 1rnu s PHE 46 CO 0.05 0.47 -0.08 0.08 -0.10 0.00 0.00 175.22 175.64 1rnu s VAL 47 N -0.94 3.55 -0.39 -0.44 1.01 0.98 -0.99 120.40 123.19 1rnu s VAL 47 Ca 0.15 -0.48 0.06 0.00 0.00 0.00 0.00 61.98 61.71 1rnu s VAL 47 Cb -0.11 -2.53 0.64 0.00 0.00 0.00 0.00 36.38 34.37 1rnu s VAL 47 CO 0.04 0.51 1.78 1.41 0.00 0.00 0.00 175.10 178.84 1rnu n HIS 48 N 3.52 2.46 -3.11 5.22 -0.00 0.36 -0.75 115.22 122.93 1rnu n HIS 48 Ca -0.18 -1.67 -0.19 0.00 -0.00 0.00 0.00 57.72 55.69 1rnu n HIS 48 Cb 0.53 -0.78 0.03 0.00 -0.00 0.00 0.00 29.99 29.76 1rnu n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1rnu s GLU 49 N -3.23 2.58 0.53 -0.41 0.41 -1.26 -4.63 118.70 112.69 1rnu s GLU 49 Ca 0.53 -1.45 -0.18 0.00 -0.41 0.00 0.00 54.97 53.46 1rnu s GLU 49 Cb 0.45 -2.66 -0.06 0.00 -1.78 0.00 0.00 34.13 30.08 1rnu s GLU 49 CO 0.09 -0.50 1.05 -1.54 -0.49 0.00 0.00 175.26 173.87 1rnu s SER 50 N -4.45 6.07 0.24 -0.19 1.04 -1.26 -3.95 113.70 111.20 1rnu s SER 50 Ca 0.56 1.91 -0.05 0.00 0.48 0.00 0.00 55.95 58.85 1rnu s SER 50 Cb -0.07 -2.55 0.38 0.00 0.10 0.00 0.00 66.02 63.87 1rnu s SER 50 CO 0.34 -0.97 1.79 0.25 0.98 0.00 0.00 173.24 175.64 1rnu h LEU 51 N 1.10 0.58 -1.11 2.42 5.85 -1.98 -1.91 115.31 120.26 1rnu h LEU 51 Ca -0.49 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.24 1rnu h LEU 51 Cb 1.22 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 1rnu h LEU 51 CO 0.58 0.33 0.07 0.00 -0.34 0.00 0.00 178.44 179.08 1rnu h ALA 52 N 1.45 1.28 0.00 1.25 0.00 -1.98 0.37 119.26 121.62 1rnu h ALA 52 Ca 0.38 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 1rnu h ALA 52 Cb 0.38 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1rnu h ALA 52 CO -0.26 0.50 -0.52 -0.44 0.00 0.00 0.00 179.25 178.53 1rnu h ASP 53 N 0.68 0.00 -0.10 0.00 3.32 -1.74 -0.62 116.42 117.96 1rnu h ASP 53 Ca 0.15 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.99 1rnu h ASP 53 Cb 0.31 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.87 1rnu h ASP 53 CO 0.00 0.52 -0.75 0.58 -1.72 0.00 0.00 179.24 177.87 1rnu h VAL 54 N 0.00 1.31 -0.15 -1.35 2.07 -0.94 -3.15 116.25 114.05 1rnu h VAL 54 Ca -0.01 -2.00 -0.01 0.00 0.82 0.00 0.00 66.70 65.50 1rnu h VAL 54 Cb 1.01 2.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.94 1rnu h VAL 54 CO 0.07 0.62 0.03 1.56 0.02 0.00 0.00 177.57 179.87 1rnu h GLN 55 N 0.35 0.20 0.00 1.57 4.20 -0.71 -1.94 115.11 118.78 1rnu h GLN 55 Ca -0.07 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 1rnu h GLN 55 Cb 1.39 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 29.13 1rnu h GLN 55 CO 0.15 0.20 -0.03 0.00 -0.67 0.00 0.00 178.83 178.48 1rnu h ALA 56 N 1.83 1.20 0.00 3.87 0.00 -1.06 -2.48 119.26 122.62 1rnu h ALA 56 Ca 0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1rnu h ALA 56 Cb 0.09 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1rnu h ALA 56 CO -0.00 0.04 -0.10 0.28 0.00 0.00 0.00 179.25 179.47 1rnu h VAL 57 N 0.00 0.45 0.00 0.00 2.07 -1.41 -2.54 116.25 114.82 1rnu h VAL 57 Ca -0.00 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1rnu h VAL 57 Cb 0.14 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1rnu h VAL 57 CO 0.00 0.09 0.00 0.00 0.02 0.00 0.00 177.57 177.69 1rnu n SER 59 N -1.30 2.23 0.00 0.00 3.41 -0.96 -5.01 113.62 111.99 1rnu n SER 59 Ca 0.05 -3.19 0.00 0.00 -0.26 0.00 0.00 58.87 55.47 1rnu n SER 59 Cb 0.10 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 1rnu n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rnu n GLN 60 N -1.37 0.00 -2.91 4.33 6.02 -0.23 -4.97 117.38 118.24 1rnu n GLN 60 Ca 0.16 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.73 1rnu n GLN 60 Cb 0.65 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.86 1rnu n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1rnu s LYS 61 N 3.52 3.66 0.13 -1.09 2.20 -1.03 -4.87 119.74 122.27 1rnu s LYS 61 Ca 0.00 0.25 -0.31 0.00 -0.36 0.00 0.00 55.97 55.55 1rnu s LYS 61 Cb 0.00 -3.85 -0.08 0.00 -1.51 0.00 0.00 37.83 32.39 1rnu s LYS 61 CO 0.00 -0.98 1.36 1.21 -0.36 0.00 0.00 175.35 176.58 1rnu s ASN 62 N 1.98 6.85 0.14 1.43 3.04 -1.26 -0.30 114.94 126.81 1rnu s ASN 62 Ca 0.33 2.32 -0.02 0.00 0.04 0.00 0.00 52.86 55.53 1rnu s ASN 62 Cb -0.12 -2.59 -0.03 0.00 -1.54 0.00 0.00 41.25 36.96 1rnu s ASN 62 CO 0.20 -0.62 0.10 0.68 -3.04 0.00 0.00 177.10 174.42 1rnu s VAL 63 N 0.91 0.10 0.32 -5.21 -7.23 -0.28 -4.92 120.40 104.08 1rnu s VAL 63 Ca 0.63 -1.81 -0.27 0.00 -1.81 0.00 0.00 61.98 58.72 1rnu s VAL 63 Cb -0.36 -2.01 -0.10 0.00 0.56 0.00 0.00 36.38 34.47 1rnu s VAL 63 CO 0.32 -0.43 0.97 0.00 -0.31 0.00 0.00 175.10 175.65 1rnu s ALA 64 N -4.03 3.22 0.73 1.32 0.00 -1.26 -3.14 121.76 118.59 1rnu s ALA 64 Ca 0.23 0.60 -0.11 0.00 0.00 0.00 0.00 51.96 52.67 1rnu s ALA 64 Cb 0.07 -3.21 0.03 0.00 0.00 0.00 0.00 23.12 20.00 1rnu s ALA 64 CO 0.01 0.09 1.07 0.00 0.00 0.00 0.00 175.76 176.94 1rnu h LYS 66 N -0.84 0.16 -0.52 0.00 3.11 -1.93 0.47 116.57 117.01 1rnu h LYS 66 Ca -0.45 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.38 1rnu h LYS 66 Cb 1.23 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 32.42 1rnu h LYS 66 CO 0.57 0.10 0.00 0.27 -2.81 0.00 0.00 179.45 177.59 1rnu n ASN 67 N -4.52 2.27 0.00 4.20 0.23 -1.26 -4.93 115.26 111.25 1rnu n ASN 67 Ca 0.32 -2.16 0.00 0.00 -0.53 0.00 0.00 54.58 52.21 1rnu n ASN 67 Cb 1.27 -0.36 0.00 0.00 -2.08 0.00 0.00 39.78 38.61 1rnu n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1rnu n GLY 68 N 0.72 0.31 3.88 4.83 0.00 0.16 -5.01 105.19 110.08 1rnu n GLY 68 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1rnu n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rnu s GLN 69 N -0.89 3.03 -0.21 1.61 -1.52 -1.26 -4.72 119.66 115.70 1rnu s GLN 69 Ca 0.00 0.52 0.15 0.00 -1.95 0.00 0.00 55.36 54.08 1rnu s GLN 69 Cb 0.00 -2.04 0.50 0.00 -0.22 0.00 0.00 33.01 31.25 1rnu s GLN 69 CO 0.00 -0.92 1.41 2.41 -0.25 0.00 0.00 175.29 177.94 1rnu n THR 70 N -2.94 2.33 -1.34 -0.19 -1.04 -1.26 0.36 114.28 110.19 1rnu n THR 70 Ca 0.07 -2.16 -0.23 0.00 -2.04 0.00 0.00 64.05 59.69 1rnu n THR 70 Cb 0.56 -0.27 0.15 0.00 -1.82 0.00 0.00 70.33 68.95 1rnu n THR 70 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1rnu n ASN 71 N -0.78 4.50 -4.74 8.00 6.94 -1.26 -4.69 115.26 123.22 1rnu n ASN 71 Ca 0.24 -3.70 -0.29 0.00 -0.02 0.00 0.00 54.58 50.82 1rnu n ASN 71 Cb 0.91 -0.81 -0.07 0.00 -2.36 0.00 0.00 39.78 37.46 1rnu n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1rnu s TYR 73 N -1.48 0.08 -0.13 0.00 1.51 -0.10 -1.13 117.35 116.10 1rnu s TYR 73 Ca 0.28 0.05 -0.06 0.00 -1.01 0.00 0.00 57.07 56.34 1rnu s TYR 73 Cb -0.11 -0.18 -0.04 0.00 -0.11 0.00 0.00 41.96 41.52 1rnu s TYR 73 CO 0.21 -0.06 0.07 -1.14 -1.11 0.00 0.00 175.55 173.52 1rnu s GLN 74 N 0.62 3.48 0.40 -0.62 0.74 0.59 -1.58 119.66 123.30 1rnu s GLN 74 Ca -0.05 -0.29 -0.25 0.00 0.05 0.00 0.00 55.36 54.81 1rnu s GLN 74 Cb -0.08 -3.07 -0.08 0.00 1.10 0.00 0.00 33.01 30.87 1rnu s GLN 74 CO -0.02 0.58 1.20 -1.54 -0.55 0.00 0.00 175.29 174.97 1rnu s SER 75 N -0.50 6.47 0.23 6.67 1.04 -0.20 -2.46 113.70 124.94 1rnu s SER 75 Ca 0.10 2.42 -0.05 0.00 0.48 0.00 0.00 55.95 58.90 1rnu s SER 75 Cb -0.12 -2.62 0.22 0.00 0.10 0.00 0.00 66.02 63.61 1rnu s SER 75 CO 0.02 -0.72 1.73 1.88 0.98 0.00 0.00 173.24 177.13 1rnu h TYR 76 N 2.65 1.02 -1.74 5.02 0.05 -1.96 -3.43 116.97 118.57 1rnu h TYR 76 Ca -0.49 -0.14 -0.51 0.00 0.05 0.00 0.00 58.73 57.64 1rnu h TYR 76 Cb 1.24 -0.28 -0.05 0.00 1.01 0.00 0.00 36.73 38.65 1rnu h TYR 76 CO 0.55 0.88 -0.46 -1.54 -1.05 0.00 0.00 178.16 176.54 1rnu s SER 77 N -6.57 4.98 0.53 3.88 1.04 -1.26 -5.06 113.70 111.24 1rnu s SER 77 Ca -0.11 -0.69 -0.16 0.00 0.48 0.00 0.00 55.95 55.47 1rnu s SER 77 Cb 0.15 -0.75 -0.07 0.00 0.10 0.00 0.00 66.02 65.44 1rnu s SER 77 CO 0.83 -0.44 0.99 0.42 0.98 0.00 0.00 173.24 176.02 1rnu s THR 78 N -2.41 4.53 0.10 2.02 -4.23 -1.26 -4.35 115.64 110.04 1rnu s THR 78 Ca 0.42 1.17 0.04 0.00 -1.18 0.00 0.00 61.69 62.14 1rnu s THR 78 Cb -0.03 -3.73 -0.04 0.00 1.34 0.00 0.00 72.50 70.04 1rnu s THR 78 CO 0.25 -0.74 -0.11 -0.04 -0.54 0.00 0.00 174.62 173.45 1rnu s MET 79 N -4.19 0.89 -0.18 3.99 -1.94 0.13 -4.79 119.30 113.21 1rnu s MET 79 Ca 0.59 -1.17 -0.29 0.00 -1.71 0.00 0.00 55.69 53.10 1rnu s MET 79 Cb -0.10 -0.63 -0.00 0.00 2.01 0.00 0.00 34.83 36.11 1rnu s MET 79 CO 0.34 0.11 1.10 0.45 -0.01 0.00 0.00 175.02 177.01 1rnu s SER 80 N -2.43 7.08 0.08 3.03 0.15 -1.26 -0.64 113.70 119.71 1rnu s SER 80 Ca 0.06 1.52 0.02 0.00 0.70 0.00 0.00 55.95 58.25 1rnu s SER 80 Cb -0.03 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.69 1rnu s SER 80 CO 0.01 -0.65 -0.07 0.27 1.20 0.00 0.00 173.24 174.00 1rnu s ILE 81 N 2.98 0.64 -0.10 6.45 -4.36 0.06 -0.49 121.20 126.38 1rnu s ILE 81 Ca 0.48 -1.74 0.02 0.00 -0.26 0.00 0.00 60.65 59.15 1rnu s ILE 81 Cb -0.18 -1.44 0.01 0.00 1.25 0.00 0.00 42.46 42.10 1rnu s ILE 81 CO 0.11 -0.77 -0.16 -0.89 0.24 0.00 0.00 174.94 173.47 1rnu s THR 82 N -3.15 1.51 -0.07 8.37 2.01 -0.16 -1.41 115.64 122.75 1rnu s THR 82 Ca 0.07 -0.66 -0.14 0.00 0.31 0.00 0.00 61.69 61.27 1rnu s THR 82 Cb 0.02 -1.37 -0.05 0.00 0.01 0.00 0.00 72.50 71.11 1rnu s THR 82 CO -0.04 0.44 0.35 -0.62 -0.69 0.00 0.00 174.62 174.07 1rnu s ASP 83 N 0.90 6.65 -0.16 3.53 2.15 0.34 -1.09 116.67 128.99 1rnu s ASP 83 Ca -0.08 0.77 0.02 0.00 0.43 0.00 0.00 52.55 53.68 1rnu s ASP 83 Cb -0.15 -2.22 0.01 0.00 -0.30 0.00 0.00 42.92 40.27 1rnu s ASP 83 CO -0.00 0.24 -0.21 0.00 -0.17 0.00 0.00 175.17 175.03 1rnu s ARG 85 N 1.04 1.38 0.31 0.00 6.06 -0.47 -1.26 118.95 126.01 1rnu s ARG 85 Ca -0.01 -0.26 -0.29 0.00 -2.50 0.00 0.00 55.73 52.66 1rnu s ARG 85 Cb -0.14 -1.31 -0.12 0.00 0.06 0.00 0.00 34.95 33.44 1rnu s ARG 85 CO -0.07 -0.11 1.51 0.39 -2.50 0.00 0.00 175.30 174.52 1rnu n GLU 86 N 4.32 2.56 -1.25 5.12 1.02 -0.04 -0.20 120.64 132.17 1rnu n GLU 86 Ca -0.19 0.90 -0.30 0.00 -0.02 0.00 0.00 57.16 57.56 1rnu n GLU 86 Cb 0.51 -2.64 0.12 0.00 -0.02 0.00 0.00 31.44 29.41 1rnu n GLU 86 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1rnu s THR 87 N -0.42 2.86 0.47 2.62 -4.23 -0.47 -4.81 115.64 111.67 1rnu s THR 87 Ca 0.61 0.28 0.17 0.00 -1.18 0.00 0.00 61.69 61.57 1rnu s THR 87 Cb -0.52 -2.79 0.22 0.00 1.34 0.00 0.00 72.50 70.76 1rnu s THR 87 CO 0.54 -0.37 2.05 1.23 -0.54 0.00 0.00 174.62 177.54 1rnu h GLY 88 N -1.40 0.00 1.84 3.99 0.00 -1.94 -2.52 103.07 103.04 1rnu h GLY 88 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1rnu h GLY 88 CO 0.54 0.00 -0.11 -1.14 0.00 0.00 0.00 176.54 175.83 1rnu n SER 89 N -4.26 0.57 -4.74 0.19 3.41 -1.26 -4.94 113.62 102.59 1rnu n SER 89 Ca -0.03 0.45 -0.41 0.00 -0.26 0.00 0.00 58.87 58.63 1rnu n SER 89 Cb 0.20 -0.54 -0.02 0.00 -0.26 0.00 0.00 64.21 63.59 1rnu n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1rnu s SER 90 N -4.01 6.68 -0.15 4.04 0.15 -0.95 -5.00 113.70 114.44 1rnu s SER 90 Ca 0.11 2.64 -0.10 0.00 0.70 0.00 0.00 55.95 59.29 1rnu s SER 90 Cb 0.14 -2.62 0.05 0.00 -1.71 0.00 0.00 66.02 61.88 1rnu s SER 90 CO 0.60 -0.69 0.39 -0.75 1.20 0.00 0.00 173.24 173.99 1rnu s LYS 91 N -0.29 0.40 0.27 5.44 2.20 -1.19 -4.94 119.74 121.62 1rnu s LYS 91 Ca 0.59 0.68 -0.30 0.00 -0.36 0.00 0.00 55.97 56.58 1rnu s LYS 91 Cb -0.41 0.05 -0.12 0.00 -1.51 0.00 0.00 37.83 35.83 1rnu s LYS 91 CO 0.42 -0.12 1.48 0.98 -0.36 0.00 0.00 175.35 177.75 1rnu n TYR 92 N 3.77 2.48 1.30 4.03 9.36 -1.26 -0.32 117.16 136.52 1rnu n TYR 92 Ca -0.20 0.37 0.14 0.00 3.32 0.00 0.00 57.90 61.52 1rnu n TYR 92 Cb 0.56 -2.52 0.49 0.00 -0.63 0.00 0.00 39.34 37.24 1rnu n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1rnu n PRO 93 N 1.93 0.68 -2.92 2.98 -0.04 -1.26 -4.96 135.00 131.40 1rnu n PRO 93 Ca 0.09 -0.31 -0.43 0.00 -0.04 0.00 0.00 63.50 62.81 1rnu n PRO 93 Cb 0.34 -1.49 0.01 0.00 -0.04 0.00 0.00 33.50 32.32 1rnu n PRO 93 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1rnu n ASN 94 N -0.89 5.96 -4.76 3.54 0.23 0.56 -5.00 115.26 114.90 1rnu n ASN 94 Ca 0.13 -3.27 -0.36 0.00 -0.53 0.00 0.00 54.58 50.54 1rnu n ASN 94 Cb 0.31 -1.35 0.02 0.00 -2.08 0.00 0.00 39.78 36.69 1rnu n ASN 94 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1rnu s ALA 96 N -1.63 -0.63 0.07 0.00 0.00 -1.26 -4.95 121.76 113.37 1rnu s ALA 96 Ca 0.75 0.99 0.09 0.00 0.00 0.00 0.00 51.96 53.78 1rnu s ALA 96 Cb -0.29 -0.61 -0.03 0.00 0.00 0.00 0.00 23.12 22.19 1rnu s ALA 96 CO 0.32 -0.19 -0.23 0.71 0.00 0.00 0.00 175.76 176.37 1rnu s TYR 97 N 0.99 1.99 -0.12 0.00 2.02 -1.26 -1.37 117.35 119.60 1rnu s TYR 97 Ca -0.07 -0.39 -0.19 0.00 -0.37 0.00 0.00 57.07 56.05 1rnu s TYR 97 Cb -0.08 -1.14 -0.04 0.00 -0.40 0.00 0.00 41.96 40.30 1rnu s TYR 97 CO -0.07 0.17 0.49 0.21 -1.57 0.00 0.00 175.55 174.79 1rnu s LYS 98 N -1.53 4.34 -0.26 -0.62 2.47 0.72 -4.83 119.74 120.03 1rnu s LYS 98 Ca 0.09 0.47 -0.09 0.00 -1.56 0.00 0.00 55.97 54.88 1rnu s LYS 98 Cb -0.10 -3.45 -0.04 0.00 -1.46 0.00 0.00 37.83 32.79 1rnu s LYS 98 CO 0.03 0.13 0.13 0.99 0.16 0.00 0.00 175.35 176.79 1rnu s THR 99 N 0.72 4.81 -0.16 3.43 2.01 -1.26 -1.37 115.64 123.81 1rnu s THR 99 Ca 0.27 -0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.26 1rnu s THR 99 Cb -0.15 -3.27 0.03 0.00 0.01 0.00 0.00 72.50 69.12 1rnu s THR 99 CO 0.11 0.30 -0.10 -0.89 -0.69 0.00 0.00 174.62 173.34 1rnu s THR 100 N 1.68 1.41 0.17 -0.82 2.01 -0.22 -4.98 115.64 114.89 1rnu s THR 100 Ca 0.07 -0.67 -0.17 0.00 0.31 0.00 0.00 61.69 61.23 1rnu s THR 100 Cb -0.16 -1.43 -0.07 0.00 0.01 0.00 0.00 72.50 70.85 1rnu s THR 100 CO 0.07 0.31 0.63 -1.58 -0.69 0.00 0.00 174.62 173.36 1rnu s GLN 101 N 1.53 4.12 0.20 4.92 2.00 -1.26 -0.51 119.66 130.67 1rnu s GLN 101 Ca 0.03 0.68 -0.20 0.00 -2.00 0.00 0.00 55.36 53.86 1rnu s GLN 101 Cb -0.14 -2.94 0.04 0.00 0.80 0.00 0.00 33.01 30.77 1rnu s GLN 101 CO -0.09 0.46 0.60 0.00 -0.50 0.00 0.00 175.29 175.76 1rnu s ALA 102 N -1.45 -1.24 -0.25 1.58 0.00 -0.50 -4.96 121.76 114.93 1rnu s ALA 102 Ca 0.39 0.00 0.03 0.00 0.00 0.00 0.00 51.96 52.38 1rnu s ALA 102 Cb -0.16 0.86 0.06 0.00 0.00 0.00 0.00 23.12 23.88 1rnu s ALA 102 CO 0.20 -0.85 -0.10 -0.80 0.00 0.00 0.00 175.76 174.20 1rnu s ASN 103 N -2.84 4.33 0.09 0.00 -0.87 -1.26 -0.76 114.94 113.63 1rnu s ASN 103 Ca 0.07 -1.35 0.02 0.00 -1.57 0.00 0.00 52.86 50.03 1rnu s ASN 103 Cb -0.02 -1.50 -0.04 0.00 -0.02 0.00 0.00 41.25 39.67 1rnu s ASN 103 CO -0.04 -0.19 -0.07 -0.54 -2.57 0.00 0.00 177.10 173.69 1rnu s LYS 104 N 1.15 0.77 0.36 -0.60 1.02 0.19 -4.71 119.74 117.92 1rnu s LYS 104 Ca -0.08 -1.20 -0.27 0.00 0.02 0.00 0.00 55.97 54.44 1rnu s LYS 104 Cb -0.20 -0.24 -0.09 0.00 -0.52 0.00 0.00 37.83 36.78 1rnu s LYS 104 CO -0.05 0.00 1.17 -1.01 -0.92 0.00 0.00 175.35 174.54 1rnu s HIS 105 N -3.08 3.18 0.12 3.18 3.76 0.41 0.19 115.29 123.05 1rnu s HIS 105 Ca 0.07 1.56 0.08 0.00 -0.15 0.00 0.00 55.06 56.62 1rnu s HIS 105 Cb 0.02 -3.41 -0.04 0.00 1.11 0.00 0.00 32.58 30.25 1rnu s HIS 105 CO -0.03 -1.23 -0.11 0.96 -0.85 0.00 0.00 174.74 173.48 1rnu s ILE 106 N -1.32 3.29 -0.13 0.60 -4.36 -1.26 -0.70 121.20 117.32 1rnu s ILE 106 Ca 0.53 -1.35 0.01 0.00 -0.26 0.00 0.00 60.65 59.58 1rnu s ILE 106 Cb -0.32 -2.55 0.02 0.00 1.25 0.00 0.00 42.46 40.85 1rnu s ILE 106 CO 0.41 0.08 -0.16 -0.63 0.24 0.00 0.00 174.94 174.88 1rnu s ILE 107 N -1.28 1.58 0.11 8.37 1.01 0.11 -1.03 121.20 130.07 1rnu s ILE 107 Ca 0.22 -0.67 0.08 0.00 0.00 0.00 0.00 60.65 60.28 1rnu s ILE 107 Cb -0.11 -1.45 -0.04 0.00 0.01 0.00 0.00 42.46 40.88 1rnu s ILE 107 CO 0.14 0.46 -0.20 0.68 0.00 0.00 0.00 174.94 176.01 1rnu s VAL 108 N 1.14 1.74 -0.11 2.92 -7.23 -0.61 -0.34 120.40 117.90 1rnu s VAL 108 Ca -0.03 -1.62 -0.10 0.00 -1.81 0.00 0.00 61.98 58.43 1rnu s VAL 108 Cb -0.14 -1.62 -0.05 0.00 0.56 0.00 0.00 36.38 35.14 1rnu s VAL 108 CO -0.05 -0.11 0.20 0.00 -0.31 0.00 0.00 175.10 174.84 1rnu s ALA 109 N -1.33 3.79 0.09 1.32 0.00 -0.43 -0.93 121.76 124.28 1rnu s ALA 109 Ca 0.08 -0.55 0.09 0.00 0.00 0.00 0.00 51.96 51.59 1rnu s ALA 109 Cb -0.09 -2.12 -0.03 0.00 0.00 0.00 0.00 23.12 20.88 1rnu s ALA 109 CO 0.05 0.48 -0.24 0.00 0.00 0.00 0.00 175.76 176.05 1rnu s GLU 111 N -1.72 1.18 0.16 0.00 2.02 -0.71 -4.90 118.70 114.73 1rnu s GLU 111 Ca 0.10 -0.53 0.00 0.00 0.02 0.00 0.00 54.97 54.56 1rnu s GLU 111 Cb -0.10 0.54 0.00 0.00 0.10 0.00 0.00 34.13 34.67 1rnu s GLU 111 CO 0.04 -0.49 0.00 0.41 0.02 0.00 0.00 175.26 175.24 1rnu n GLY 112 N -0.24 -2.54 2.69 -1.39 0.00 -1.26 -2.22 105.19 100.23 1rnu n GLY 112 Ca -0.17 -1.93 -0.22 0.00 0.00 0.00 0.00 46.02 43.70 1rnu n GLY 112 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rnu s ASN 113 N -2.74 1.81 0.51 1.61 -0.87 -1.26 -2.60 114.94 111.40 1rnu s ASN 113 Ca 0.00 -0.41 -0.22 0.00 -1.57 0.00 0.00 52.86 50.66 1rnu s ASN 113 Cb 0.00 0.12 -0.06 0.00 -0.02 0.00 0.00 41.25 41.29 1rnu s ASN 113 CO 0.00 -0.34 1.24 -2.16 -2.57 0.00 0.00 177.10 173.27 1rnu s PRO 114 N 2.25 3.42 -0.56 -0.60 0.04 -1.26 -5.06 135.00 133.22 1rnu s PRO 114 Ca 0.05 1.95 -0.27 0.00 0.04 0.00 0.00 61.00 62.77 1rnu s PRO 114 Cb -0.16 -2.28 -0.01 0.00 0.04 0.00 0.00 34.50 32.09 1rnu s PRO 114 CO -0.12 -0.88 1.67 -0.47 0.04 0.00 0.00 177.00 177.25 1rnu s TYR 115 N -1.46 1.92 0.18 0.56 5.04 -1.07 -4.86 117.35 117.65 1rnu s TYR 115 Ca 0.68 0.60 0.04 0.00 -2.44 0.00 0.00 57.07 55.96 1rnu s TYR 115 Cb -0.33 -4.23 -0.05 0.00 0.35 0.00 0.00 41.96 37.70 1rnu s TYR 115 CO 0.39 -2.29 -0.07 0.14 -1.34 0.00 0.00 175.55 172.38 1rnu s VAL 116 N 7.59 1.13 0.23 3.14 -7.23 -0.94 -4.82 120.40 119.50 1rnu s VAL 116 Ca 0.62 -2.06 -0.30 0.00 -1.81 0.00 0.00 61.98 58.43 1rnu s VAL 116 Cb -0.13 -2.02 -0.10 0.00 0.56 0.00 0.00 36.38 34.70 1rnu s VAL 116 CO 0.23 -0.60 1.42 -2.84 -0.31 0.00 0.00 175.10 173.00 1rnu s PRO 117 N -3.78 4.29 0.00 4.82 0.02 -1.26 -1.73 135.00 137.35 1rnu s PRO 117 Ca 0.21 2.25 0.00 0.00 0.02 0.00 0.00 61.00 63.48 1rnu s PRO 117 Cb 0.03 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.42 1rnu s PRO 117 CO 0.03 -0.40 0.00 1.33 -0.33 0.00 0.00 177.00 177.63 1rnu n VAL 118 N 2.55 0.00 -3.79 3.83 0.24 0.10 -4.51 118.33 116.75 1rnu n VAL 118 Ca 0.07 -0.31 -0.13 0.00 -2.04 0.00 0.00 64.34 61.94 1rnu n VAL 118 Cb 0.41 0.83 -0.09 0.00 -1.47 0.00 0.00 33.84 33.52 1rnu n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1rnu s HIS 119 N -1.12 -0.13 -0.38 6.34 3.76 -1.15 -4.67 115.29 117.94 1rnu s HIS 119 Ca 0.00 0.19 -0.16 0.00 -0.15 0.00 0.00 55.06 54.94 1rnu s HIS 119 Cb 0.00 0.06 0.01 0.00 1.11 0.00 0.00 32.58 33.75 1rnu s HIS 119 CO 0.00 -0.34 0.39 0.12 -0.85 0.00 0.00 174.74 174.05 1rnu s PHE 120 N -1.23 3.20 -0.15 1.40 5.36 -1.26 -1.32 117.98 123.98 1rnu s PHE 120 Ca -0.13 -0.24 -0.18 0.00 -0.96 0.00 0.00 56.93 55.42 1rnu s PHE 120 Cb -0.06 -2.76 -0.24 0.00 -0.34 0.00 0.00 43.02 39.63 1rnu s PHE 120 CO 0.03 -0.57 0.43 0.22 -1.46 0.00 0.00 175.22 173.87 1rnu h ASP 121 N 8.60 0.21 -5.47 6.13 3.58 -1.02 -3.48 116.42 124.96 1rnu h ASP 121 Ca -0.28 -0.75 0.30 0.00 0.42 0.00 0.00 57.03 56.71 1rnu h ASP 121 Cb 1.13 -0.07 -0.13 0.00 1.72 0.00 0.00 39.33 41.98 1rnu h ASP 121 CO 0.74 1.54 0.79 0.00 -2.88 0.00 0.00 179.24 179.43 1rnu s ALA 122 N -2.42 -2.15 0.17 -0.78 0.00 -0.94 -4.96 121.76 110.67 1rnu s ALA 122 Ca -0.23 0.78 0.11 0.00 0.00 0.00 0.00 51.96 52.62 1rnu s ALA 122 Cb 0.04 0.31 -0.04 0.00 0.00 0.00 0.00 23.12 23.44 1rnu s ALA 122 CO 0.69 -0.98 -0.25 -1.54 0.00 0.00 0.00 175.76 173.69 1rnu s SER 123 N -2.84 3.38 0.00 0.00 1.04 -1.26 0.04 113.70 114.05 1rnu s SER 123 Ca 0.13 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 55.74 1rnu s SER 123 Cb 0.03 -0.24 0.00 0.00 0.10 0.00 0.00 66.02 65.91 1rnu s SER 123 CO -0.03 0.14 0.03 0.52 0.98 0.00 0.00 173.24 174.88