#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3rsd s GLU 2 N 0.00 4.15 0.80 1.64 2.12 -1.26 -4.98 118.70 121.18 3rsd s GLU 2 Ca 0.00 2.52 -0.11 0.00 0.36 0.00 0.00 54.97 57.74 3rsd s GLU 2 Cb 0.00 -3.05 0.07 0.00 0.26 0.00 0.00 34.13 31.41 3rsd s GLU 2 CO 0.00 -0.61 1.09 0.95 -0.54 0.00 0.00 175.26 176.15 3rsd s THR 3 N 0.14 3.18 0.24 -1.70 -4.23 -1.26 -4.85 115.64 107.17 3rsd s THR 3 Ca 0.64 0.38 -0.06 0.00 -1.18 0.00 0.00 61.69 61.47 3rsd s THR 3 Cb -0.47 -3.00 0.20 0.00 1.34 0.00 0.00 72.50 70.57 3rsd s THR 3 CO 0.45 -0.50 1.84 0.00 -0.54 0.00 0.00 174.62 175.87 3rsd h ALA 4 N -1.16 1.16 -0.38 3.99 0.00 -1.95 -0.73 119.26 120.20 3rsd h ALA 4 Ca -0.46 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.28 3rsd h ALA 4 Cb 1.25 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3rsd h ALA 4 CO 0.56 0.65 0.18 0.00 0.00 0.00 0.00 179.25 180.63 3rsd h ALA 5 N 1.27 0.49 -0.69 0.00 0.00 -1.89 -1.13 119.26 117.31 3rsd h ALA 5 Ca 0.29 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 3rsd h ALA 5 Cb 0.09 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3rsd h ALA 5 CO -0.04 0.06 0.19 0.00 0.00 0.00 0.00 179.25 179.46 3rsd h ALA 6 N 1.02 1.02 -0.76 0.00 0.00 -1.85 -2.33 119.26 116.36 3rsd h ALA 6 Ca 0.13 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 3rsd h ALA 6 Cb 0.14 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3rsd h ALA 6 CO -0.01 0.65 0.25 -0.22 0.00 0.00 0.00 179.25 179.91 3rsd h LYS 7 N 1.04 1.18 -0.62 0.00 3.64 -0.82 -0.80 116.57 120.18 3rsd h LYS 7 Ca 0.22 -0.25 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 3rsd h LYS 7 Cb 0.34 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 3rsd h LYS 7 CO -0.00 0.99 0.33 0.35 -2.27 0.00 0.00 179.45 178.85 3rsd h PHE 8 N 1.13 0.87 -0.44 1.91 3.04 -0.92 0.32 116.94 122.84 3rsd h PHE 8 Ca 0.25 -0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.13 3rsd h PHE 8 Cb 0.30 -0.27 -0.02 0.00 2.56 0.00 0.00 35.95 38.51 3rsd h PHE 8 CO 0.03 0.64 0.15 0.93 -2.02 0.00 0.00 178.31 178.03 3rsd h GLU 9 N 0.85 0.68 -0.80 1.11 5.08 -0.95 -0.19 114.58 120.37 3rsd h GLU 9 Ca 0.22 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 3rsd h GLU 9 Cb 0.07 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 3rsd h GLU 9 CO -0.03 0.65 0.32 -0.09 -1.00 0.00 0.00 179.01 178.86 3rsd h ARG 10 N 0.57 1.19 0.00 2.33 2.43 -0.74 -1.64 114.38 118.53 3rsd h ARG 10 Ca 0.14 -0.22 -0.13 0.00 -0.81 0.00 0.00 59.98 58.97 3rsd h ARG 10 Cb 0.25 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 3rsd h ARG 10 CO -0.01 0.96 -1.08 1.96 -1.51 0.00 0.00 179.97 180.30 3rsd h GLN 11 N 1.16 0.00 0.00 0.20 4.20 -0.87 -3.42 115.11 116.38 3rsd h GLN 11 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 3rsd h GLN 11 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 3rsd h GLN 11 CO -0.02 0.32 0.00 0.72 -0.67 0.00 0.00 178.83 179.18 3rsd n HIS 12 N -2.97 0.00 -3.98 2.96 8.25 -0.09 -4.74 115.22 114.64 3rsd n HIS 12 Ca -0.05 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.04 3rsd n HIS 12 Cb 0.78 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.82 3rsd n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3rsd s MET 13 N -0.87 3.35 -0.43 -0.41 -1.94 -0.62 0.26 119.30 118.64 3rsd s MET 13 Ca 0.00 -0.19 0.06 0.00 -1.71 0.00 0.00 55.69 53.85 3rsd s MET 13 Cb 0.00 -3.11 0.20 0.00 2.01 0.00 0.00 34.83 33.93 3rsd s MET 13 CO 0.00 0.76 0.49 -3.47 -0.01 0.00 0.00 175.02 172.78 3rsd n ASP 14 N 2.03 -1.04 0.00 3.03 2.03 0.57 -4.85 116.55 118.33 3rsd n ASP 14 Ca -0.20 -2.60 0.13 0.00 0.52 0.00 0.00 54.79 52.64 3rsd n ASP 14 Cb 0.55 0.00 0.71 0.00 -0.72 0.00 0.00 41.12 41.66 3rsd n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 3rsd n SER 15 N 2.46 0.00 -0.00 1.67 7.64 -1.26 -3.54 113.62 120.58 3rsd n SER 15 Ca 0.24 -0.24 0.14 0.00 1.01 0.00 0.00 58.87 60.03 3rsd n SER 15 Cb 0.52 -0.24 0.63 0.00 -1.01 0.00 0.00 64.21 64.11 3rsd n SER 15 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3rsd n SER 16 N -1.24 0.02 -3.96 6.43 7.64 -1.26 -4.84 113.62 116.40 3rsd n SER 16 Ca 0.14 0.39 -0.09 0.00 1.01 0.00 0.00 58.87 60.32 3rsd n SER 16 Cb 0.19 -0.45 -0.11 0.00 -1.01 0.00 0.00 64.21 62.84 3rsd n SER 16 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3rsd s THR 17 N -2.94 0.12 -0.38 0.44 -4.23 -1.23 -5.05 115.64 102.37 3rsd s THR 17 Ca 0.16 -0.96 0.23 0.00 -1.18 0.00 0.00 61.69 59.94 3rsd s THR 17 Cb 0.19 -0.45 0.13 0.00 1.34 0.00 0.00 72.50 73.71 3rsd s THR 17 CO 0.53 -0.53 1.30 0.28 -0.54 0.00 0.00 174.62 175.66 3rsd h SER 18 N 4.37 0.00 -5.11 3.99 0.02 -1.88 -3.44 113.55 111.51 3rsd h SER 18 Ca -0.32 -0.03 0.20 0.00 -0.84 0.00 0.00 61.79 60.80 3rsd h SER 18 Cb 1.20 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.62 3rsd h SER 18 CO 0.44 0.01 0.60 0.00 -1.14 0.00 0.00 176.83 176.74 3rsd s ALA 19 N -3.28 -1.87 0.19 3.77 0.00 -1.26 -4.85 121.76 114.47 3rsd s ALA 19 Ca 0.03 0.65 -0.30 0.00 0.00 0.00 0.00 51.96 52.35 3rsd s ALA 19 Cb 0.09 0.43 -0.08 0.00 0.00 0.00 0.00 23.12 23.56 3rsd s ALA 19 CO 0.73 -0.90 1.22 0.00 0.00 0.00 0.00 175.76 176.81 3rsd s ALA 20 N -2.96 3.45 -1.44 0.00 0.00 -1.26 -4.93 121.76 114.62 3rsd s ALA 20 Ca 0.10 0.98 0.23 0.00 0.00 0.00 0.00 51.96 53.28 3rsd s ALA 20 Cb 0.00 -3.43 0.20 0.00 0.00 0.00 0.00 23.12 19.90 3rsd s ALA 20 CO -0.03 -0.40 1.21 -1.13 0.00 0.00 0.00 175.76 175.41 3rsd n SER 21 N 2.51 1.17 -3.77 0.00 3.41 -1.26 -5.01 113.62 110.68 3rsd n SER 21 Ca 0.05 -0.95 -0.05 0.00 -0.26 0.00 0.00 58.87 57.65 3rsd n SER 21 Cb 0.44 0.51 -0.02 0.00 -0.26 0.00 0.00 64.21 64.89 3rsd n SER 21 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3rsd s SER 22 N -2.75 -0.22 0.64 4.04 1.04 -1.26 -5.03 113.70 110.15 3rsd s SER 22 Ca 0.15 -0.44 0.41 0.00 0.48 0.00 0.00 55.95 56.55 3rsd s SER 22 Cb 0.18 0.56 2.20 0.00 0.10 0.00 0.00 66.02 69.06 3rsd s SER 22 CO 0.68 -1.04 2.30 0.77 0.98 0.00 0.00 173.24 176.93 3rsd h SER 23 N 2.00 0.00 0.07 7.02 4.64 -1.94 -2.56 113.55 122.77 3rsd h SER 23 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 3rsd h SER 23 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3rsd h SER 23 CO 0.25 0.01 -0.05 0.59 -0.87 0.00 0.00 176.83 176.76 3rsd n ASN 24 N -3.19 1.00 0.05 4.97 3.02 -1.26 -4.32 115.26 115.53 3rsd n ASN 24 Ca -0.02 -1.20 -0.14 0.00 -0.03 0.00 0.00 54.58 53.19 3rsd n ASN 24 Cb 0.11 0.01 -0.07 0.00 -0.61 0.00 0.00 39.78 39.21 3rsd n ASN 24 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 3rsd h TYR 25 N 1.50 -1.25 -0.57 3.10 5.03 -1.85 -0.14 116.97 122.78 3rsd h TYR 25 Ca 0.00 0.04 0.01 0.00 2.58 0.00 0.00 58.73 61.37 3rsd h TYR 25 Cb 0.38 0.55 -0.03 0.00 1.55 0.00 0.00 36.73 39.18 3rsd h TYR 25 CO 0.00 -0.51 0.37 0.00 -1.32 0.00 0.00 178.16 176.70 3rsd h ASN 27 N 0.74 0.72 -0.09 0.00 2.35 -1.68 0.36 115.58 117.97 3rsd h ASN 27 Ca 0.22 0.03 -0.21 0.00 -0.55 0.00 0.00 56.30 55.79 3rsd h ASN 27 Cb -0.04 -0.11 0.01 0.00 0.05 0.00 0.00 38.32 38.23 3rsd h ASN 27 CO -0.07 0.44 -0.76 1.56 -1.65 0.00 0.00 177.43 176.95 3rsd h GLN 28 N 0.85 0.67 -0.23 0.81 4.20 -0.32 -3.11 115.11 117.98 3rsd h GLN 28 Ca 0.37 -0.60 -0.19 0.00 0.06 0.00 0.00 58.65 58.28 3rsd h GLN 28 Cb 0.24 0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.17 3rsd h GLN 28 CO -0.20 1.21 -0.61 0.52 -0.67 0.00 0.00 178.83 179.08 3rsd h MET 29 N 0.33 0.79 -0.84 1.46 2.86 -0.56 -1.57 114.93 117.40 3rsd h MET 29 Ca -0.07 -0.53 -0.01 0.00 -2.06 0.00 0.00 59.70 57.02 3rsd h MET 29 Cb 1.41 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 33.11 3rsd h MET 29 CO 0.15 1.16 0.47 0.52 1.06 0.00 0.00 176.91 180.27 3rsd h MET 30 N 0.59 1.17 0.15 1.72 2.86 -1.03 -0.78 114.93 119.61 3rsd h MET 30 Ca -0.00 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 3rsd h MET 30 Cb 1.21 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 32.64 3rsd h MET 30 CO 0.13 0.86 -0.07 -0.22 1.06 0.00 0.00 176.91 178.66 3rsd h LYS 31 N 1.17 -0.20 -0.44 1.72 3.64 -1.50 -0.60 116.57 120.36 3rsd h LYS 31 Ca 0.30 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.72 3rsd h LYS 31 Cb 0.02 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 3rsd h LYS 31 CO -0.05 0.17 0.29 0.77 -2.27 0.00 0.00 179.45 178.36 3rsd h SER 32 N -0.61 0.43 -0.28 4.20 0.02 -1.17 -1.02 113.55 115.11 3rsd h SER 32 Ca -0.02 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3rsd h SER 32 Cb 0.46 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.90 3rsd h SER 32 CO 0.03 0.30 0.00 0.54 -1.14 0.00 0.00 176.83 176.57 3rsd n ARG 33 N -4.48 1.98 -2.75 3.45 5.12 -0.31 -4.90 116.66 114.78 3rsd n ARG 33 Ca 0.04 -1.15 -0.22 0.00 -1.93 0.00 0.00 57.85 54.60 3rsd n ARG 33 Cb 0.13 -1.42 0.01 0.00 -1.16 0.00 0.00 32.46 30.02 3rsd n ARG 33 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3rsd n ASN 34 N 0.34 -5.98 -0.56 0.55 5.15 -0.39 -4.85 115.26 109.52 3rsd n ASN 34 Ca 0.10 -0.16 0.10 0.00 -0.60 0.00 0.00 54.58 54.02 3rsd n ASN 34 Cb 0.38 -4.90 0.36 0.00 -0.53 0.00 0.00 39.78 35.08 3rsd n ASN 34 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3rsd n LEU 35 N -3.57 1.68 -0.20 1.20 4.77 -0.24 -3.80 117.00 116.84 3rsd n LEU 35 Ca -0.17 -0.72 0.05 0.00 -0.03 0.00 0.00 56.01 55.14 3rsd n LEU 35 Cb 0.65 -0.12 0.06 0.00 -2.33 0.00 0.00 43.42 41.69 3rsd n LEU 35 CO 0.39 0.36 0.42 0.35 -1.33 0.00 0.00 177.39 177.58 3rsd n THR 36 N 0.34 0.97 0.00 -5.08 -2.24 -1.25 -3.55 114.28 103.48 3rsd n THR 36 Ca 0.16 -1.14 -0.12 0.00 -2.27 0.00 0.00 64.05 60.68 3rsd n THR 36 Cb 0.33 0.21 -0.07 0.00 -2.10 0.00 0.00 70.33 68.70 3rsd n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3rsd h LYS 37 N 0.00 0.07 0.00 -0.78 3.64 -1.91 -3.34 116.57 114.26 3rsd h LYS 37 Ca 0.00 -0.01 -0.33 0.00 -1.27 0.00 0.00 60.65 59.04 3rsd h LYS 37 Cb 1.08 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.83 3rsd h LYS 37 CO 0.00 0.21 -1.99 -0.25 -2.27 0.00 0.00 179.45 175.15 3rsd n ASP 38 N -4.97 0.62 -3.77 4.20 8.00 -1.26 -5.03 116.55 114.33 3rsd n ASP 38 Ca -0.07 0.24 -0.04 0.00 0.71 0.00 0.00 54.79 55.63 3rsd n ASP 38 Cb 0.11 0.30 -0.01 0.00 -0.02 0.00 0.00 41.12 41.49 3rsd n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3rsd s ARG 39 N -2.55 1.30 -0.59 -1.24 1.70 -1.25 -5.11 118.95 111.20 3rsd s ARG 39 Ca -0.08 -0.71 -0.26 0.00 -0.47 0.00 0.00 55.73 54.21 3rsd s ARG 39 Cb 0.07 0.45 0.04 0.00 -0.57 0.00 0.00 34.95 34.94 3rsd s ARG 39 CO 0.82 -0.59 1.07 0.00 -1.08 0.00 0.00 175.30 175.52 3rsd s LYS 41 N 4.52 4.14 0.19 0.00 2.20 -1.23 -4.88 119.74 124.67 3rsd s LYS 41 Ca 0.35 2.56 -0.09 0.00 -0.36 0.00 0.00 55.97 58.42 3rsd s LYS 41 Cb -0.10 -3.26 0.10 0.00 -1.51 0.00 0.00 37.83 33.06 3rsd s LYS 41 CO 0.20 -0.76 1.72 -1.00 -0.36 0.00 0.00 175.35 175.15 3rsd h PRO 42 N 7.41 1.07 -3.86 4.03 0.13 -1.94 -3.45 132.00 135.39 3rsd h PRO 42 Ca -0.44 -0.24 -0.16 0.00 -0.87 0.00 0.00 66.00 64.29 3rsd h PRO 42 Cb 1.21 -0.15 -0.21 0.00 0.13 0.00 0.00 31.00 31.98 3rsd h PRO 42 CO 0.95 0.93 -0.65 0.54 -0.23 0.00 0.00 178.00 179.54 3rsd s VAL 43 N -5.38 0.10 -0.07 1.56 0.11 -1.26 -1.36 120.40 114.10 3rsd s VAL 43 Ca -0.12 -0.84 -0.30 0.00 -2.93 0.00 0.00 61.98 57.79 3rsd s VAL 43 Cb 0.14 -0.30 0.07 0.00 -1.53 0.00 0.00 36.38 34.76 3rsd s VAL 43 CO 0.83 -0.46 0.68 0.21 -3.33 0.00 0.00 175.10 173.03 3rsd s ASN 44 N -1.41 -0.67 -0.07 3.54 2.47 -0.50 -5.01 114.94 113.29 3rsd s ASN 44 Ca -0.15 0.80 0.04 0.00 0.42 0.00 0.00 52.86 53.96 3rsd s ASN 44 Cb -0.09 0.64 0.00 0.00 -1.45 0.00 0.00 41.25 40.35 3rsd s ASN 44 CO -0.00 -0.57 -0.19 -0.89 -3.72 0.00 0.00 177.10 171.72 3rsd s THR 45 N -1.01 1.66 -0.01 -5.21 2.01 -1.26 -0.61 115.64 111.20 3rsd s THR 45 Ca -0.10 -0.81 0.02 0.00 0.31 0.00 0.00 61.69 61.11 3rsd s THR 45 Cb -0.01 -1.44 -0.03 0.00 0.01 0.00 0.00 72.50 71.03 3rsd s THR 45 CO 0.09 0.47 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.09 3rsd s PHE 46 N 0.25 2.97 -0.18 4.92 0.08 0.08 -4.49 117.98 121.61 3rsd s PHE 46 Ca -0.11 0.02 -0.02 0.00 0.12 0.00 0.00 56.93 56.94 3rsd s PHE 46 Cb -0.15 -1.65 -0.01 0.00 -0.57 0.00 0.00 43.02 40.64 3rsd s PHE 46 CO 0.05 0.40 -0.08 0.08 -0.10 0.00 0.00 175.22 175.58 3rsd s VAL 47 N -1.00 3.28 -1.04 -0.44 1.01 0.14 -1.18 120.40 121.17 3rsd s VAL 47 Ca 0.17 -0.55 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 3rsd s VAL 47 Cb -0.11 -2.44 0.31 0.00 0.00 0.00 0.00 36.38 34.13 3rsd s VAL 47 CO 0.07 0.47 1.54 1.41 0.00 0.00 0.00 175.10 178.59 3rsd n HIS 48 N 4.20 2.45 -4.13 5.22 -0.00 -0.03 -0.31 115.22 122.61 3rsd n HIS 48 Ca -0.18 -2.65 -0.12 0.00 -0.00 0.00 0.00 57.72 54.77 3rsd n HIS 48 Cb 0.52 -1.20 -0.08 0.00 -0.00 0.00 0.00 29.99 29.23 3rsd n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3rsd s GLU 49 N -3.21 1.46 0.60 -0.41 0.41 -1.26 -4.59 118.70 111.70 3rsd s GLU 49 Ca 0.34 -1.57 -0.17 0.00 -0.41 0.00 0.00 54.97 53.16 3rsd s GLU 49 Cb 0.09 0.36 -0.03 0.00 -1.78 0.00 0.00 34.13 32.78 3rsd s GLU 49 CO 0.04 -0.55 1.11 -1.54 -0.49 0.00 0.00 175.26 173.82 3rsd s SER 50 N -3.15 5.48 0.18 -0.19 1.04 -1.26 -4.13 113.70 111.67 3rsd s SER 50 Ca 0.33 2.04 -0.11 0.00 0.48 0.00 0.00 55.95 58.68 3rsd s SER 50 Cb 0.03 -2.56 0.09 0.00 0.10 0.00 0.00 66.02 63.69 3rsd s SER 50 CO 0.14 -1.38 1.75 0.25 0.98 0.00 0.00 173.24 174.98 3rsd h LEU 51 N 0.58 0.85 -1.26 2.42 5.85 -1.98 -2.45 115.31 119.33 3rsd h LEU 51 Ca -0.48 -0.15 0.08 0.00 0.84 0.00 0.00 57.88 58.17 3rsd h LEU 51 Cb 1.25 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 42.00 3rsd h LEU 51 CO 0.56 0.77 0.55 0.00 -0.34 0.00 0.00 178.44 179.97 3rsd h ALA 52 N 1.12 1.65 -0.02 1.25 0.00 -1.99 0.12 119.26 121.40 3rsd h ALA 52 Ca 0.22 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 3rsd h ALA 52 Cb 0.16 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3rsd h ALA 52 CO -0.02 0.19 -0.52 -0.44 0.00 0.00 0.00 179.25 178.46 3rsd h ASP 53 N 0.85 0.05 0.06 0.00 3.32 -1.83 -0.58 116.42 118.28 3rsd h ASP 53 Ca 0.38 -0.02 -0.19 0.00 0.02 0.00 0.00 57.03 57.22 3rsd h ASP 53 Cb 0.35 -0.01 0.02 0.00 0.22 0.00 0.00 39.33 39.90 3rsd h ASP 53 CO -0.15 0.56 -0.78 0.58 -1.72 0.00 0.00 179.24 177.73 3rsd h VAL 54 N 0.03 1.42 -0.71 -1.35 2.07 -0.82 -3.23 116.25 113.67 3rsd h VAL 54 Ca -0.00 -2.27 0.07 0.00 0.82 0.00 0.00 66.70 65.31 3rsd h VAL 54 Cb 0.93 2.77 -0.04 0.00 -1.52 0.00 0.00 31.29 33.43 3rsd h VAL 54 CO 0.07 0.66 0.47 1.56 0.02 0.00 0.00 177.57 180.35 3rsd h GLN 55 N -0.10 0.70 0.00 1.57 4.20 -0.67 -0.30 115.11 120.52 3rsd h GLN 55 Ca -0.11 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.55 3rsd h GLN 55 Cb 1.52 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 29.14 3rsd h GLN 55 CO 0.15 0.47 0.00 0.00 -0.67 0.00 0.00 178.83 178.78 3rsd h ALA 56 N 1.62 1.00 0.00 3.87 0.00 -1.12 -1.85 119.26 122.78 3rsd h ALA 56 Ca 0.31 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 3rsd h ALA 56 Cb 0.27 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3rsd h ALA 56 CO -0.10 0.00 -0.04 0.28 0.00 0.00 0.00 179.25 179.39 3rsd h VAL 57 N 0.00 0.79 0.00 0.00 2.07 -1.10 -1.53 116.25 116.48 3rsd h VAL 57 Ca 0.00 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.39 3rsd h VAL 57 Cb 0.12 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3rsd h VAL 57 CO 0.00 0.04 0.00 0.00 0.02 0.00 0.00 177.57 177.63 3rsd n SER 59 N -1.43 2.51 -0.05 0.00 3.41 -0.57 -5.01 113.62 112.48 3rsd n SER 59 Ca 0.01 -2.82 0.00 0.00 -0.26 0.00 0.00 58.87 55.80 3rsd n SER 59 Cb 0.02 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 3rsd n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3rsd n GLN 60 N -1.05 3.22 -2.37 4.33 6.02 0.72 -5.00 117.38 123.26 3rsd n GLN 60 Ca 0.13 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.69 3rsd n GLN 60 Cb 0.59 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.83 3rsd n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3rsd s LYS 61 N 4.32 3.90 0.09 -1.09 2.20 -1.11 -4.87 119.74 123.18 3rsd s LYS 61 Ca 0.00 1.33 -0.30 0.00 -0.36 0.00 0.00 55.97 56.63 3rsd s LYS 61 Cb 0.00 -3.91 -0.06 0.00 -1.51 0.00 0.00 37.83 32.35 3rsd s LYS 61 CO 0.00 -1.15 1.21 1.21 -0.36 0.00 0.00 175.35 176.26 3rsd s ASN 62 N 3.04 7.07 0.11 1.43 3.84 -1.26 0.07 114.94 129.24 3rsd s ASN 62 Ca 0.59 2.08 -0.07 0.00 0.21 0.00 0.00 52.86 55.67 3rsd s ASN 62 Cb -0.18 -2.59 -0.01 0.00 -0.55 0.00 0.00 41.25 37.92 3rsd s ASN 62 CO 0.24 -0.45 0.18 0.68 -2.79 0.00 0.00 177.10 174.96 3rsd s VAL 63 N 0.81 0.12 0.28 -5.21 -7.23 -0.16 -4.90 120.40 104.10 3rsd s VAL 63 Ca 0.58 -1.39 -0.29 0.00 -1.81 0.00 0.00 61.98 59.07 3rsd s VAL 63 Cb -0.31 -1.60 -0.09 0.00 0.56 0.00 0.00 36.38 34.94 3rsd s VAL 63 CO 0.31 -0.55 0.99 0.00 -0.31 0.00 0.00 175.10 175.54 3rsd s ALA 64 N -3.92 3.31 0.94 1.32 0.00 -1.26 -3.03 121.76 119.11 3rsd s ALA 64 Ca 0.11 0.67 -0.12 0.00 0.00 0.00 0.00 51.96 52.63 3rsd s ALA 64 Cb 0.05 -3.24 0.15 0.00 0.00 0.00 0.00 23.12 20.09 3rsd s ALA 64 CO -0.06 0.08 1.09 0.00 0.00 0.00 0.00 175.76 176.88 3rsd h LYS 66 N -1.69 0.86 -0.00 0.00 1.57 -1.89 -0.75 116.57 114.66 3rsd h LYS 66 Ca -0.52 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.21 3rsd h LYS 66 Cb 1.30 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.42 3rsd h LYS 66 CO 0.56 0.57 -0.06 0.27 -0.57 0.00 0.00 179.45 180.22 3rsd n ASN 67 N -4.56 0.30 0.00 0.86 6.94 -1.26 -4.92 115.26 112.62 3rsd n ASN 67 Ca 0.17 -0.53 0.00 0.00 -0.02 0.00 0.00 54.58 54.20 3rsd n ASN 67 Cb 0.36 -0.12 0.00 0.00 -2.36 0.00 0.00 39.78 37.65 3rsd n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3rsd n GLY 68 N 1.24 2.12 3.74 4.83 0.00 -0.29 -5.08 105.19 111.75 3rsd n GLY 68 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 3rsd n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3rsd s GLN 69 N -0.61 2.80 -0.25 1.61 -0.21 -1.26 -4.61 119.66 117.12 3rsd s GLN 69 Ca 0.00 2.07 0.13 0.00 0.02 0.00 0.00 55.36 57.58 3rsd s GLN 69 Cb 0.00 -1.98 0.63 0.00 1.00 0.00 0.00 33.01 32.66 3rsd s GLN 69 CO 0.00 -1.41 1.59 0.25 -2.12 0.00 0.00 175.29 173.60 3rsd n THR 70 N -1.59 2.60 -1.38 -0.19 -2.24 -1.26 0.02 114.28 110.24 3rsd n THR 70 Ca 0.14 -1.89 -0.21 0.00 -2.27 0.00 0.00 64.05 59.83 3rsd n THR 70 Cb 0.47 -0.30 0.15 0.00 -2.10 0.00 0.00 70.33 68.56 3rsd n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3rsd n ASN 71 N -0.37 4.29 -4.89 3.42 6.94 -1.26 -4.79 115.26 118.59 3rsd n ASN 71 Ca 0.30 -3.71 -0.25 0.00 -0.02 0.00 0.00 54.58 50.90 3rsd n ASN 71 Cb 1.11 -0.78 -0.04 0.00 -2.36 0.00 0.00 39.78 37.72 3rsd n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3rsd s TYR 73 N -1.81 -0.17 -0.11 0.00 1.51 0.49 -0.99 117.35 116.27 3rsd s TYR 73 Ca 0.33 0.43 -0.03 0.00 -1.01 0.00 0.00 57.07 56.79 3rsd s TYR 73 Cb -0.10 0.04 -0.03 0.00 -0.11 0.00 0.00 41.96 41.75 3rsd s TYR 73 CO 0.27 -0.10 0.00 -1.14 -1.11 0.00 0.00 175.55 173.47 3rsd s GLN 74 N 0.27 3.20 0.32 -0.62 0.74 0.11 -1.16 119.66 122.52 3rsd s GLN 74 Ca -0.02 -0.41 -0.29 0.00 0.05 0.00 0.00 55.36 54.69 3rsd s GLN 74 Cb -0.03 -2.86 -0.10 0.00 1.10 0.00 0.00 33.01 31.12 3rsd s GLN 74 CO -0.01 0.59 1.28 -1.54 -0.55 0.00 0.00 175.29 175.06 3rsd s SER 75 N -0.56 6.85 0.21 6.67 1.04 -0.12 -2.75 113.70 125.04 3rsd s SER 75 Ca 0.09 2.62 -0.03 0.00 0.48 0.00 0.00 55.95 59.12 3rsd s SER 75 Cb -0.12 -2.64 0.19 0.00 0.10 0.00 0.00 66.02 63.55 3rsd s SER 75 CO 0.02 -0.48 1.60 1.88 0.98 0.00 0.00 173.24 177.24 3rsd h TYR 76 N 3.52 0.77 -2.00 5.02 0.05 -1.96 -3.44 116.97 118.94 3rsd h TYR 76 Ca -0.48 -0.21 -0.50 0.00 0.05 0.00 0.00 58.73 57.59 3rsd h TYR 76 Cb 1.22 -0.17 -0.04 0.00 1.01 0.00 0.00 36.73 38.75 3rsd h TYR 76 CO 0.56 0.91 -0.48 -1.54 -1.05 0.00 0.00 178.16 176.57 3rsd s SER 77 N -6.82 5.43 0.63 3.88 1.04 -1.26 -5.06 113.70 111.53 3rsd s SER 77 Ca -0.08 -0.37 -0.11 0.00 0.48 0.00 0.00 55.95 55.87 3rsd s SER 77 Cb 0.12 -1.18 -0.03 0.00 0.10 0.00 0.00 66.02 65.03 3rsd s SER 77 CO 0.83 -0.22 1.03 0.42 0.98 0.00 0.00 173.24 176.29 3rsd s THR 78 N -2.22 4.62 0.07 2.02 -4.23 -1.26 -4.54 115.64 110.11 3rsd s THR 78 Ca 0.38 0.85 0.02 0.00 -1.18 0.00 0.00 61.69 61.76 3rsd s THR 78 Cb -0.07 -3.82 -0.03 0.00 1.34 0.00 0.00 72.50 69.92 3rsd s THR 78 CO 0.26 -1.11 -0.08 -0.04 -0.54 0.00 0.00 174.62 173.11 3rsd s MET 79 N -5.17 0.71 -0.19 3.99 -1.94 0.20 -4.87 119.30 112.03 3rsd s MET 79 Ca 0.55 -1.06 -0.28 0.00 -1.71 0.00 0.00 55.69 53.20 3rsd s MET 79 Cb -0.11 -0.31 -0.00 0.00 2.01 0.00 0.00 34.83 36.42 3rsd s MET 79 CO 0.54 0.03 0.96 0.45 -0.01 0.00 0.00 175.02 176.99 3rsd s SER 80 N -2.31 7.06 0.16 3.03 0.15 -1.26 -1.33 113.70 119.20 3rsd s SER 80 Ca 0.01 1.32 0.03 0.00 0.70 0.00 0.00 55.95 58.01 3rsd s SER 80 Cb -0.03 -2.51 -0.05 0.00 -1.71 0.00 0.00 66.02 61.73 3rsd s SER 80 CO -0.02 -0.55 -0.04 0.27 1.20 0.00 0.00 173.24 174.11 3rsd s ILE 81 N 2.68 0.83 -0.12 6.45 -4.36 -0.19 -0.85 121.20 125.63 3rsd s ILE 81 Ca 0.42 -1.99 0.01 0.00 -0.26 0.00 0.00 60.65 58.83 3rsd s ILE 81 Cb -0.16 -1.98 0.02 0.00 1.25 0.00 0.00 42.46 41.59 3rsd s ILE 81 CO 0.10 -0.61 -0.13 -0.89 0.24 0.00 0.00 174.94 173.64 3rsd s THR 82 N -3.55 1.40 -0.13 8.37 2.01 -0.33 -1.01 115.64 122.40 3rsd s THR 82 Ca 0.20 -0.56 -0.15 0.00 0.31 0.00 0.00 61.69 61.49 3rsd s THR 82 Cb 0.05 -1.31 -0.05 0.00 0.01 0.00 0.00 72.50 71.20 3rsd s THR 82 CO 0.02 0.43 0.36 -0.62 -0.69 0.00 0.00 174.62 174.11 3rsd s ASP 83 N 1.24 6.56 -0.17 3.53 2.15 0.59 -0.74 116.67 129.81 3rsd s ASP 83 Ca -0.02 0.66 0.00 0.00 0.43 0.00 0.00 52.55 53.62 3rsd s ASP 83 Cb -0.14 -2.22 0.01 0.00 -0.30 0.00 0.00 42.92 40.27 3rsd s ASP 83 CO -0.05 0.11 -0.16 0.00 -0.17 0.00 0.00 175.17 174.90 3rsd s ARG 85 N 1.13 1.56 0.37 0.00 0.52 -0.96 -1.41 118.95 120.16 3rsd s ARG 85 Ca 0.01 -0.46 -0.28 0.00 -0.52 0.00 0.00 55.73 54.48 3rsd s ARG 85 Cb -0.14 -1.34 -0.11 0.00 0.52 0.00 0.00 34.95 33.88 3rsd s ARG 85 CO -0.06 0.12 1.46 -2.00 0.02 0.00 0.00 175.30 174.83 3rsd s GLU 86 N 0.34 4.13 0.42 3.54 2.12 -0.46 -0.27 118.70 128.52 3rsd s GLU 86 Ca -0.08 2.51 0.03 0.00 0.36 0.00 0.00 54.97 57.78 3rsd s GLU 86 Cb -0.13 -2.97 -0.00 0.00 0.26 0.00 0.00 34.13 31.29 3rsd s GLU 86 CO 0.02 -0.49 0.61 0.95 -0.54 0.00 0.00 175.26 175.81 3rsd s THR 87 N -1.13 3.91 0.59 -1.70 -4.23 -0.20 -4.80 115.64 108.08 3rsd s THR 87 Ca 0.52 -0.68 0.29 0.00 -1.18 0.00 0.00 61.69 60.64 3rsd s THR 87 Cb -0.45 -3.41 0.36 0.00 1.34 0.00 0.00 72.50 70.34 3rsd s THR 87 CO 0.61 -0.25 2.08 1.23 -0.54 0.00 0.00 174.62 177.76 3rsd h GLY 88 N 0.54 0.00 -1.50 3.99 0.00 -1.94 0.49 103.07 104.65 3rsd h GLY 88 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3rsd h GLY 88 CO 0.55 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.53 3rsd n SER 89 N -3.77 2.39 -4.72 0.19 7.64 -1.26 -4.92 113.62 109.17 3rsd n SER 89 Ca 0.02 -1.88 -0.42 0.00 1.01 0.00 0.00 58.87 57.60 3rsd n SER 89 Cb 0.36 -0.21 -0.03 0.00 -1.01 0.00 0.00 64.21 63.32 3rsd n SER 89 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3rsd s SER 90 N -1.34 6.78 -0.23 6.43 0.15 0.16 -4.81 113.70 120.84 3rsd s SER 90 Ca 0.33 2.39 -0.03 0.00 0.70 0.00 0.00 55.95 59.35 3rsd s SER 90 Cb 0.18 -2.59 0.12 0.00 -1.71 0.00 0.00 66.02 62.02 3rsd s SER 90 CO 0.26 -0.68 0.31 -0.75 1.20 0.00 0.00 173.24 173.58 3rsd s LYS 91 N 0.98 0.29 0.11 5.44 2.20 -0.96 -4.88 119.74 122.92 3rsd s LYS 91 Ca 0.65 0.32 -0.35 0.00 -0.36 0.00 0.00 55.97 56.22 3rsd s LYS 91 Cb -0.38 -0.78 -0.17 0.00 -1.51 0.00 0.00 37.83 34.99 3rsd s LYS 91 CO 0.31 -0.70 1.23 0.98 -0.36 0.00 0.00 175.35 176.81 3rsd n TYR 92 N 5.34 1.29 1.38 4.03 4.19 -1.26 -0.05 117.16 132.08 3rsd n TYR 92 Ca -0.04 0.71 0.11 0.00 3.31 0.00 0.00 57.90 61.99 3rsd n TYR 92 Cb 0.49 -2.28 0.44 0.00 0.49 0.00 0.00 39.34 38.48 3rsd n TYR 92 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 3rsd n PRO 93 N 2.10 1.61 -2.93 2.98 -0.04 -1.26 -4.96 135.00 132.50 3rsd n PRO 93 Ca 0.17 -0.91 -0.44 0.00 -0.04 0.00 0.00 63.50 62.28 3rsd n PRO 93 Cb 0.20 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 3rsd n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3rsd n ASN 94 N 0.13 5.64 -4.77 3.54 3.02 0.93 -4.99 115.26 118.75 3rsd n ASN 94 Ca 0.17 -3.16 -0.39 0.00 -0.03 0.00 0.00 54.58 51.17 3rsd n ASN 94 Cb 0.30 -1.41 -0.02 0.00 -0.61 0.00 0.00 39.78 38.04 3rsd n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3rsd s ALA 96 N -1.30 0.63 0.10 0.00 0.00 -1.26 -4.90 121.76 115.04 3rsd s ALA 96 Ca 0.54 -0.32 0.04 0.00 0.00 0.00 0.00 51.96 52.22 3rsd s ALA 96 Cb -0.34 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 3rsd s ALA 96 CO 0.44 0.15 -0.11 0.71 0.00 0.00 0.00 175.76 176.96 3rsd s TYR 97 N -0.15 1.09 -0.19 0.00 1.51 -1.26 -1.03 117.35 117.32 3rsd s TYR 97 Ca 0.03 -0.63 -0.09 0.00 -1.01 0.00 0.00 57.07 55.36 3rsd s TYR 97 Cb -0.03 -0.60 -0.05 0.00 -0.11 0.00 0.00 41.96 41.17 3rsd s TYR 97 CO -0.00 0.02 0.13 0.21 -1.11 0.00 0.00 175.55 174.79 3rsd s LYS 98 N -2.71 4.05 -0.17 -0.62 2.20 0.63 -4.61 119.74 118.51 3rsd s LYS 98 Ca 0.05 -0.20 -0.14 0.00 -0.36 0.00 0.00 55.97 55.32 3rsd s LYS 98 Cb -0.04 -3.38 -0.05 0.00 -1.51 0.00 0.00 37.83 32.86 3rsd s LYS 98 CO 0.00 0.39 0.30 0.99 -0.36 0.00 0.00 175.35 176.67 3rsd s THR 99 N 0.10 5.29 -0.06 3.43 2.01 -1.26 -2.28 115.64 122.87 3rsd s THR 99 Ca 0.09 0.55 0.01 0.00 0.31 0.00 0.00 61.69 62.65 3rsd s THR 99 Cb -0.11 -3.64 0.02 0.00 0.01 0.00 0.00 72.50 68.78 3rsd s THR 99 CO -0.01 0.36 -0.07 -0.89 -0.69 0.00 0.00 174.62 173.33 3rsd s THR 100 N 0.64 0.79 0.01 -0.82 2.01 -0.46 -4.99 115.64 112.82 3rsd s THR 100 Ca 0.16 -0.23 -0.05 0.00 0.31 0.00 0.00 61.69 61.88 3rsd s THR 100 Cb -0.13 -0.79 -0.04 0.00 0.01 0.00 0.00 72.50 71.55 3rsd s THR 100 CO 0.04 0.29 0.24 -1.10 -0.69 0.00 0.00 174.62 173.41 3rsd s GLN 101 N 1.08 3.52 0.29 4.92 -0.21 -1.26 -0.30 119.66 127.70 3rsd s GLN 101 Ca -0.08 -0.19 -0.16 0.00 0.02 0.00 0.00 55.36 54.95 3rsd s GLN 101 Cb -0.14 -3.07 0.02 0.00 1.00 0.00 0.00 33.01 30.82 3rsd s GLN 101 CO -0.01 0.65 0.64 0.00 -2.12 0.00 0.00 175.29 174.45 3rsd s ALA 102 N -1.34 -0.72 -0.24 6.09 0.00 -0.18 -4.95 121.76 120.42 3rsd s ALA 102 Ca 0.29 -0.63 -0.02 0.00 0.00 0.00 0.00 51.96 51.59 3rsd s ALA 102 Cb -0.13 0.91 0.07 0.00 0.00 0.00 0.00 23.12 23.97 3rsd s ALA 102 CO 0.18 -0.96 0.05 1.21 0.00 0.00 0.00 175.76 176.24 3rsd s ASN 103 N -3.00 3.36 0.29 0.00 2.47 -1.26 -1.03 114.94 115.78 3rsd s ASN 103 Ca 0.16 -1.11 -0.06 0.00 0.42 0.00 0.00 52.86 52.27 3rsd s ASN 103 Cb -0.04 -0.73 -0.01 0.00 -1.45 0.00 0.00 41.25 39.03 3rsd s ASN 103 CO 0.09 -0.33 0.43 -0.54 -3.72 0.00 0.00 177.10 173.02 3rsd s LYS 104 N 1.75 1.67 0.21 0.43 1.02 -0.44 -4.79 119.74 119.59 3rsd s LYS 104 Ca 0.02 -1.55 -0.26 0.00 0.02 0.00 0.00 55.97 54.20 3rsd s LYS 104 Cb -0.17 0.43 -0.09 0.00 -0.52 0.00 0.00 37.83 37.48 3rsd s LYS 104 CO -0.14 -0.68 0.83 -1.01 -0.92 0.00 0.00 175.35 173.44 3rsd s HIS 105 N -3.57 3.87 0.17 3.18 3.76 -1.26 0.62 115.29 122.05 3rsd s HIS 105 Ca 0.29 1.70 0.05 0.00 -0.15 0.00 0.00 55.06 56.95 3rsd s HIS 105 Cb 0.01 -2.82 -0.04 0.00 1.11 0.00 0.00 32.58 30.83 3rsd s HIS 105 CO 0.15 0.44 0.14 0.96 -0.85 0.00 0.00 174.74 175.58 3rsd s ILE 106 N -1.27 4.48 -0.13 0.60 -4.36 -1.26 -0.84 121.20 118.43 3rsd s ILE 106 Ca 0.40 -1.10 -0.00 0.00 -0.26 0.00 0.00 60.65 59.69 3rsd s ILE 106 Cb -0.22 -3.30 0.02 0.00 1.25 0.00 0.00 42.46 40.21 3rsd s ILE 106 CO 0.27 -0.12 -0.10 -0.63 0.24 0.00 0.00 174.94 174.60 3rsd s ILE 107 N -1.77 1.20 0.25 8.37 1.01 0.17 -0.95 121.20 129.48 3rsd s ILE 107 Ca 0.31 -0.40 0.08 0.00 0.00 0.00 0.00 60.65 60.64 3rsd s ILE 107 Cb -0.10 -1.19 -0.05 0.00 0.01 0.00 0.00 42.46 41.13 3rsd s ILE 107 CO 0.23 0.40 -0.11 0.68 0.00 0.00 0.00 174.94 176.14 3rsd s VAL 108 N 1.64 1.80 -0.11 2.92 -7.23 -0.31 -0.88 120.40 118.23 3rsd s VAL 108 Ca 0.05 -2.20 -0.03 0.00 -1.81 0.00 0.00 61.98 57.99 3rsd s VAL 108 Cb -0.13 -2.27 -0.03 0.00 0.56 0.00 0.00 36.38 34.51 3rsd s VAL 108 CO -0.09 -0.43 0.01 0.00 -0.31 0.00 0.00 175.10 174.28 3rsd s ALA 109 N -2.92 3.29 0.13 1.32 0.00 -0.31 -0.38 121.76 122.90 3rsd s ALA 109 Ca 0.27 -0.79 0.11 0.00 0.00 0.00 0.00 51.96 51.55 3rsd s ALA 109 Cb 0.01 -1.57 -0.04 0.00 0.00 0.00 0.00 23.12 21.52 3rsd s ALA 109 CO 0.10 0.49 -0.27 0.00 0.00 0.00 0.00 175.76 176.08 3rsd s GLU 111 N -2.11 1.18 0.50 0.00 2.02 -0.45 -4.91 118.70 114.93 3rsd s GLU 111 Ca 0.15 -0.69 0.00 0.00 0.02 0.00 0.00 54.97 54.45 3rsd s GLU 111 Cb -0.10 0.51 0.00 0.00 0.10 0.00 0.00 34.13 34.64 3rsd s GLU 111 CO 0.06 -0.48 0.00 0.41 0.02 0.00 0.00 175.26 175.27 3rsd n GLY 112 N -0.28 -2.02 2.76 -1.39 0.00 -1.26 -2.09 105.19 100.91 3rsd n GLY 112 Ca -0.15 -1.72 -0.17 0.00 0.00 0.00 0.00 46.02 43.97 3rsd n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3rsd s ASN 113 N -3.77 1.43 0.69 1.61 3.84 -1.26 -2.68 114.94 114.80 3rsd s ASN 113 Ca 0.00 -0.38 -0.16 0.00 0.21 0.00 0.00 52.86 52.52 3rsd s ASN 113 Cb 0.00 0.48 0.02 0.00 -0.55 0.00 0.00 41.25 41.19 3rsd s ASN 113 CO 0.00 -0.35 1.24 -2.16 -2.79 0.00 0.00 177.10 173.04 3rsd s PRO 114 N 2.35 2.35 -0.70 0.43 0.04 -1.26 -5.08 135.00 133.13 3rsd s PRO 114 Ca 0.08 1.87 -0.27 0.00 0.04 0.00 0.00 61.00 62.73 3rsd s PRO 114 Cb -0.15 -1.85 0.02 0.00 0.04 0.00 0.00 34.50 32.56 3rsd s PRO 114 CO -0.20 -1.70 1.43 -0.47 0.04 0.00 0.00 177.00 176.10 3rsd s TYR 115 N -1.75 2.12 0.35 0.56 5.04 -1.09 -4.91 117.35 117.67 3rsd s TYR 115 Ca 0.77 0.19 0.08 0.00 -2.44 0.00 0.00 57.07 55.67 3rsd s TYR 115 Cb -0.32 -4.48 -0.07 0.00 0.35 0.00 0.00 41.96 37.44 3rsd s TYR 115 CO 0.42 -2.13 -0.04 0.14 -1.34 0.00 0.00 175.55 172.60 3rsd s VAL 116 N 6.60 1.92 0.22 3.14 -7.23 -0.89 -4.84 120.40 119.33 3rsd s VAL 116 Ca 0.44 -2.11 -0.30 0.00 -1.81 0.00 0.00 61.98 58.21 3rsd s VAL 116 Cb -0.09 -2.72 -0.09 0.00 0.56 0.00 0.00 36.38 34.04 3rsd s VAL 116 CO 0.17 -0.14 1.20 -2.84 -0.31 0.00 0.00 175.10 173.18 3rsd s PRO 117 N -3.70 4.49 0.00 4.82 0.02 -1.26 -1.34 135.00 138.03 3rsd s PRO 117 Ca 0.33 1.92 0.00 0.00 0.02 0.00 0.00 61.00 63.27 3rsd s PRO 117 Cb 0.06 -3.20 0.00 0.00 0.02 0.00 0.00 34.50 31.37 3rsd s PRO 117 CO 0.16 -0.06 0.00 1.33 -0.33 0.00 0.00 177.00 178.10 3rsd n VAL 118 N 2.06 0.00 -3.77 3.83 0.24 0.08 -4.55 118.33 116.22 3rsd n VAL 118 Ca 0.03 -0.30 -0.13 0.00 -2.04 0.00 0.00 64.34 61.90 3rsd n VAL 118 Cb 0.44 0.97 -0.12 0.00 -1.47 0.00 0.00 33.84 33.66 3rsd n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3rsd s HIS 119 N -0.66 -0.30 -0.37 6.34 5.65 -1.15 -4.62 115.29 120.17 3rsd s HIS 119 Ca 0.00 0.73 -0.20 0.00 0.25 0.00 0.00 55.06 55.84 3rsd s HIS 119 Cb 0.00 0.09 0.01 0.00 -1.18 0.00 0.00 32.58 31.50 3rsd s HIS 119 CO 0.00 -0.16 0.62 0.12 -0.65 0.00 0.00 174.74 174.66 3rsd s PHE 120 N 0.41 3.14 -0.15 3.88 2.19 -1.26 -1.16 117.98 125.02 3rsd s PHE 120 Ca -0.02 0.23 -0.12 0.00 0.33 0.00 0.00 56.93 57.35 3rsd s PHE 120 Cb -0.04 -3.15 -0.24 0.00 -1.31 0.00 0.00 43.02 38.29 3rsd s PHE 120 CO -0.02 -0.67 0.31 -1.71 1.83 0.00 0.00 175.22 174.97 3rsd n ASN 121 N 6.04 2.04 -3.62 6.13 4.05 -0.06 -4.98 115.26 124.86 3rsd n ASN 121 Ca -0.02 0.29 0.02 0.00 0.45 0.00 0.00 54.58 55.31 3rsd n ASN 121 Cb 0.48 -0.90 -0.00 0.00 1.23 0.00 0.00 39.78 40.59 3rsd n ASN 121 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3rsd s ALA 122 N -2.49 -2.27 -0.02 5.20 0.00 -1.08 -4.87 121.76 116.23 3rsd s ALA 122 Ca -0.25 0.68 0.03 0.00 0.00 0.00 0.00 51.96 52.42 3rsd s ALA 122 Cb 0.06 0.38 -0.00 0.00 0.00 0.00 0.00 23.12 23.56 3rsd s ALA 122 CO 0.71 -1.06 -0.10 -1.54 0.00 0.00 0.00 175.76 173.77 3rsd s SER 123 N -3.02 1.21 0.00 0.00 1.04 -1.26 -0.66 113.70 111.01 3rsd s SER 123 Ca 0.15 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.39 3rsd s SER 123 Cb 0.05 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.95 3rsd s SER 123 CO -0.04 0.10 0.03 1.33 0.98 0.00 0.00 173.24 175.64