#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3rsk s GLU 2 N 0.00 4.25 0.84 1.97 2.02 -1.26 -5.05 118.70 121.47 3rsk s GLU 2 Ca 0.00 0.23 -0.14 0.00 0.02 0.00 0.00 54.97 55.08 3rsk s GLU 2 Cb 0.00 -3.41 0.01 0.00 0.10 0.00 0.00 34.13 30.83 3rsk s GLU 2 CO 0.00 0.25 0.54 0.25 0.02 0.00 0.00 175.26 176.32 3rsk n THR 3 N 3.48 0.97 -0.10 3.63 -2.24 -1.26 -4.67 114.28 114.09 3rsk n THR 3 Ca -0.10 -0.28 -0.02 0.00 -2.27 0.00 0.00 64.05 61.38 3rsk n THR 3 Cb 0.52 -0.73 0.23 0.00 -2.10 0.00 0.00 70.33 68.25 3rsk n THR 3 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3rsk h ALA 4 N -0.99 1.29 -0.44 6.98 0.00 -1.96 0.96 119.26 125.10 3rsk h ALA 4 Ca -0.45 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.28 3rsk h ALA 4 Cb 1.31 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3rsk h ALA 4 CO 0.39 0.50 0.26 0.00 0.00 0.00 0.00 179.25 180.40 3rsk h ALA 5 N 1.41 0.56 -0.58 0.00 0.00 -1.88 0.43 119.26 119.20 3rsk h ALA 5 Ca 0.17 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3rsk h ALA 5 Cb 0.25 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3rsk h ALA 5 CO -0.00 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.30 3rsk h ALA 6 N 1.11 0.78 -0.41 0.00 0.00 -1.77 -2.13 119.26 116.85 3rsk h ALA 6 Ca 0.16 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 3rsk h ALA 6 Cb 0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3rsk h ALA 6 CO -0.03 0.61 0.05 0.00 0.00 0.00 0.00 179.25 179.89 3rsk h ALA 7 N 0.97 1.34 0.04 0.00 0.00 -0.32 -2.09 119.26 119.20 3rsk h ALA 7 Ca 0.16 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3rsk h ALA 7 Cb 0.55 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3rsk h ALA 7 CO 0.03 0.46 -0.05 0.35 0.00 0.00 0.00 179.25 180.05 3rsk h PHE 8 N 0.60 -0.12 -0.38 0.00 3.04 -0.29 -1.48 116.94 118.32 3rsk h PHE 8 Ca 0.13 0.00 0.03 0.00 3.98 0.00 0.00 57.97 62.12 3rsk h PHE 8 Cb 0.30 0.05 -0.04 0.00 2.56 0.00 0.00 35.95 38.82 3rsk h PHE 8 CO 0.01 -0.07 0.17 0.93 -2.02 0.00 0.00 178.31 177.33 3rsk h GLU 9 N -0.10 0.35 -0.92 1.11 5.08 -1.10 -0.62 114.58 118.37 3rsk h GLU 9 Ca 0.01 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3rsk h GLU 9 Cb 0.10 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 3rsk h GLU 9 CO -0.02 0.23 0.61 0.00 -1.00 0.00 0.00 179.01 178.82 3rsk h ALA 10 N 1.21 1.40 0.05 3.43 0.00 -1.17 0.17 119.26 124.36 3rsk h ALA 10 Ca 0.17 -0.05 -0.26 0.00 0.00 0.00 0.00 54.91 54.77 3rsk h ALA 10 Cb 0.10 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3rsk h ALA 10 CO -0.13 0.51 -1.27 1.96 0.00 0.00 0.00 179.25 180.32 3rsk h GLN 11 N 1.17 0.11 0.00 0.00 4.20 -0.95 -3.41 115.11 116.23 3rsk h GLN 11 Ca 0.36 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.88 3rsk h GLN 11 Cb -0.01 0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.84 3rsk h GLN 11 CO -0.11 1.00 -0.28 0.72 -0.67 0.00 0.00 178.83 179.49 3rsk n HIS 12 N -3.37 0.00 -3.13 2.96 8.25 -0.27 -4.73 115.22 114.93 3rsk n HIS 12 Ca -0.08 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 56.99 3rsk n HIS 12 Cb 1.00 -0.01 -0.05 0.00 1.12 0.00 0.00 29.99 32.04 3rsk n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3rsk s MET 13 N -1.40 4.36 -0.42 -0.41 -1.94 0.58 0.37 119.30 120.44 3rsk s MET 13 Ca 0.01 0.71 0.06 0.00 -1.71 0.00 0.00 55.69 54.76 3rsk s MET 13 Cb 0.02 -3.47 0.21 0.00 2.01 0.00 0.00 34.83 33.60 3rsk s MET 13 CO 0.12 0.02 0.53 -3.47 -0.01 0.00 0.00 175.02 172.20 3rsk n ASP 14 N 4.03 -0.87 -0.09 3.03 2.03 -0.62 -4.87 116.55 119.19 3rsk n ASP 14 Ca -0.03 -2.68 0.15 0.00 0.52 0.00 0.00 54.79 52.75 3rsk n ASP 14 Cb 0.51 -0.02 0.78 0.00 -0.72 0.00 0.00 41.12 41.67 3rsk n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 3rsk n SER 15 N 2.12 0.30 0.06 1.67 7.64 -1.26 -3.72 113.62 120.43 3rsk n SER 15 Ca 0.22 -0.79 0.13 0.00 1.01 0.00 0.00 58.87 59.44 3rsk n SER 15 Cb 0.53 -0.07 0.48 0.00 -1.01 0.00 0.00 64.21 64.14 3rsk n SER 15 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3rsk n SER 16 N -0.90 0.46 -4.10 6.43 3.41 -1.26 -4.80 113.62 112.86 3rsk n SER 16 Ca 0.19 0.55 -0.17 0.00 -0.26 0.00 0.00 58.87 59.19 3rsk n SER 16 Cb 0.21 -0.67 -0.12 0.00 -0.26 0.00 0.00 64.21 63.36 3rsk n SER 16 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3rsk s THR 17 N -3.08 0.83 -0.70 6.66 -4.23 -1.24 -5.02 115.64 108.86 3rsk s THR 17 Ca 0.11 -1.04 0.26 0.00 -1.18 0.00 0.00 61.69 59.84 3rsk s THR 17 Cb 0.14 -0.81 0.25 0.00 1.34 0.00 0.00 72.50 73.42 3rsk s THR 17 CO 0.54 -0.19 1.70 0.77 -0.54 0.00 0.00 174.62 176.89 3rsk h SER 18 N 4.70 0.00 -5.72 3.99 4.64 -1.88 -3.44 113.55 115.84 3rsk h SER 18 Ca -0.37 -0.03 0.30 0.00 -0.47 0.00 0.00 61.79 61.22 3rsk h SER 18 Cb 1.19 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.18 3rsk h SER 18 CO 0.42 0.02 0.79 0.00 -0.87 0.00 0.00 176.83 177.19 3rsk s ALA 19 N -3.12 -2.17 0.08 5.18 0.00 -1.26 -4.87 121.76 115.60 3rsk s ALA 19 Ca 0.10 0.48 -0.31 0.00 0.00 0.00 0.00 51.96 52.23 3rsk s ALA 19 Cb 0.12 0.49 -0.09 0.00 0.00 0.00 0.00 23.12 23.64 3rsk s ALA 19 CO 0.62 -1.07 1.71 0.00 0.00 0.00 0.00 175.76 177.02 3rsk s ALA 20 N -2.45 3.70 0.06 0.00 0.00 -1.26 -4.91 121.76 116.90 3rsk s ALA 20 Ca 0.17 1.26 -0.32 0.00 0.00 0.00 0.00 51.96 53.07 3rsk s ALA 20 Cb 0.03 -3.72 -0.18 0.00 0.00 0.00 0.00 23.12 19.25 3rsk s ALA 20 CO -0.02 -1.16 1.54 0.66 0.00 0.00 0.00 175.76 176.78 3rsk h SER 21 N 8.50 -0.75 -3.22 0.00 4.64 -1.99 -3.48 113.55 117.24 3rsk h SER 21 Ca -0.44 0.01 -0.21 0.00 -0.47 0.00 0.00 61.79 60.69 3rsk h SER 21 Cb 1.21 0.19 -0.05 0.00 -0.31 0.00 0.00 62.40 63.44 3rsk h SER 21 CO 0.94 -0.50 -0.18 -1.54 -0.87 0.00 0.00 176.83 174.68 3rsk n SER 22 N -5.45 -0.50 0.02 4.97 3.41 -1.26 -5.02 113.62 109.79 3rsk n SER 22 Ca -0.13 -2.08 0.08 0.00 -0.26 0.00 0.00 58.87 56.48 3rsk n SER 22 Cb 0.37 1.05 0.36 0.00 -0.26 0.00 0.00 64.21 65.73 3rsk n SER 22 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3rsk n SER 23 N -2.14 0.11 -0.29 4.04 3.41 -1.26 -2.22 113.62 115.26 3rsk n SER 23 Ca 0.03 0.53 0.12 0.00 -0.26 0.00 0.00 58.87 59.28 3rsk n SER 23 Cb 0.31 -0.55 0.22 0.00 -0.26 0.00 0.00 64.21 63.93 3rsk n SER 23 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3rsk n ASN 24 N -1.62 1.30 -0.21 4.04 5.15 -1.26 -4.26 115.26 118.40 3rsk n ASN 24 Ca 0.04 -1.05 -0.01 0.00 -0.60 0.00 0.00 54.58 52.95 3rsk n ASN 24 Cb 0.20 0.30 0.05 0.00 -0.53 0.00 0.00 39.78 39.80 3rsk n ASN 24 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 3rsk h TYR 25 N 1.45 -0.46 -0.81 1.20 5.03 -1.85 -1.44 116.97 120.08 3rsk h TYR 25 Ca 0.00 0.06 -0.01 0.00 2.58 0.00 0.00 58.73 61.36 3rsk h TYR 25 Cb 0.58 0.30 -0.04 0.00 1.55 0.00 0.00 36.73 39.13 3rsk h TYR 25 CO 0.00 -0.30 0.47 0.00 -1.32 0.00 0.00 178.16 177.00 3rsk h ASN 27 N 1.12 -0.31 0.43 0.00 2.35 -1.56 0.25 115.58 117.87 3rsk h ASN 27 Ca 0.29 0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 56.08 3rsk h ASN 27 Cb -0.00 0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.52 3rsk h ASN 27 CO -0.05 -0.14 -0.21 -0.61 -1.65 0.00 0.00 177.43 174.78 3rsk h GLN 28 N -0.13 -0.56 -0.90 0.81 -0.00 -1.00 -3.20 115.11 110.13 3rsk h GLN 28 Ca 0.07 0.04 0.03 0.00 -0.00 0.00 0.00 58.65 58.78 3rsk h GLN 28 Cb 0.23 0.13 -0.05 0.00 0.00 0.00 0.00 27.48 27.78 3rsk h GLN 28 CO -0.17 -0.28 0.58 0.52 0.00 0.00 0.00 178.83 179.48 3rsk h MET 29 N -0.77 1.12 -0.21 1.69 2.86 -0.70 -0.79 114.93 118.13 3rsk h MET 29 Ca -0.06 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.51 3rsk h MET 29 Cb 0.54 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 3rsk h MET 29 CO 0.10 0.74 0.11 0.52 1.06 0.00 0.00 176.91 179.44 3rsk h MET 30 N 1.15 0.27 0.27 1.72 2.86 -1.02 0.23 114.93 120.42 3rsk h MET 30 Ca 0.35 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.95 3rsk h MET 30 Cb -0.04 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.56 3rsk h MET 30 CO -0.10 0.21 -0.13 -0.22 1.06 0.00 0.00 176.91 177.72 3rsk h LYS 31 N 0.28 -0.35 -0.98 1.72 3.64 -1.41 0.78 116.57 120.26 3rsk h LYS 31 Ca 0.07 0.02 0.29 0.00 -1.27 0.00 0.00 60.65 59.77 3rsk h LYS 31 Cb 0.01 0.08 -0.14 0.00 -0.41 0.00 0.00 32.23 31.77 3rsk h LYS 31 CO -0.01 -0.16 0.51 0.77 -2.27 0.00 0.00 179.45 178.28 3rsk h SER 32 N -1.07 0.45 -0.30 4.20 0.02 -0.91 0.87 113.55 116.81 3rsk h SER 32 Ca -0.04 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3rsk h SER 32 Cb 0.35 0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.03 3rsk h SER 32 CO 0.06 -0.09 0.00 0.54 -1.14 0.00 0.00 176.83 176.20 3rsk n ARG 33 N -5.05 1.89 -3.24 3.45 5.12 0.05 -4.88 116.66 113.99 3rsk n ARG 33 Ca 0.29 -1.15 -0.21 0.00 -1.93 0.00 0.00 57.85 54.84 3rsk n ARG 33 Cb 0.87 -1.35 0.05 0.00 -1.16 0.00 0.00 32.46 30.88 3rsk n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3rsk n ASN 34 N 0.38 -5.94 -0.64 0.55 3.02 0.30 -4.88 115.26 108.05 3rsk n ASN 34 Ca 0.11 -0.38 0.13 0.00 -0.03 0.00 0.00 54.58 54.40 3rsk n ASN 34 Cb 0.33 -4.66 0.27 0.00 -0.61 0.00 0.00 39.78 35.12 3rsk n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3rsk n LEU 35 N -4.22 2.09 -0.99 3.41 4.77 0.27 -4.01 117.00 118.33 3rsk n LEU 35 Ca -0.05 -0.70 0.02 0.00 -0.03 0.00 0.00 56.01 55.25 3rsk n LEU 35 Cb 0.58 -0.01 0.15 0.00 -2.33 0.00 0.00 43.42 41.81 3rsk n LEU 35 CO 0.52 0.36 0.28 0.35 -1.33 0.00 0.00 177.39 177.56 3rsk n THR 36 N 0.50 1.85 0.02 -5.08 -2.24 -1.18 -2.63 114.28 105.52 3rsk n THR 36 Ca 0.15 -2.98 -0.21 0.00 -2.27 0.00 0.00 64.05 58.74 3rsk n THR 36 Cb 0.46 -0.10 -0.14 0.00 -2.10 0.00 0.00 70.33 68.46 3rsk n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3rsk h LYS 37 N 1.19 0.24 0.00 -0.78 3.64 -1.89 -3.40 116.57 115.57 3rsk h LYS 37 Ca 0.00 -0.42 -0.37 0.00 -1.27 0.00 0.00 60.65 58.59 3rsk h LYS 37 Cb 1.22 0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 33.13 3rsk h LYS 37 CO 0.11 1.20 -2.40 -0.25 -2.27 0.00 0.00 179.45 175.85 3rsk n ASP 38 N -4.05 0.38 -2.37 4.20 8.00 -1.26 -5.03 116.55 116.42 3rsk n ASP 38 Ca -0.20 -0.02 -0.09 0.00 0.71 0.00 0.00 54.79 55.19 3rsk n ASP 38 Cb 0.84 0.72 -0.00 0.00 -0.02 0.00 0.00 41.12 42.66 3rsk n ASP 38 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 3rsk n ARG 39 N -2.85 0.66 -3.45 -1.24 1.85 -1.26 -5.06 116.66 105.31 3rsk n ARG 39 Ca -0.35 -1.82 -0.39 0.00 -1.00 0.00 0.00 57.85 54.28 3rsk n ARG 39 Cb 1.13 1.98 -0.10 0.00 -1.05 0.00 0.00 32.46 34.42 3rsk n ARG 39 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3rsk s LYS 41 N 1.96 4.21 0.12 0.00 2.20 -1.08 -4.87 119.74 122.29 3rsk s LYS 41 Ca 0.12 2.31 -0.17 0.00 -0.36 0.00 0.00 55.97 57.87 3rsk s LYS 41 Cb -0.16 -3.42 -0.04 0.00 -1.51 0.00 0.00 37.83 32.70 3rsk s LYS 41 CO 0.11 -0.67 1.63 -1.00 -0.36 0.00 0.00 175.35 175.07 3rsk h PRO 42 N 7.68 0.52 -4.55 4.03 0.13 -1.95 -3.43 132.00 134.44 3rsk h PRO 42 Ca -0.42 -0.11 -0.28 0.00 -0.87 0.00 0.00 66.00 64.31 3rsk h PRO 42 Cb 1.20 -0.08 -0.22 0.00 0.13 0.00 0.00 31.00 32.04 3rsk h PRO 42 CO 0.92 0.55 -0.74 0.08 -0.23 0.00 0.00 178.00 178.59 3rsk s VAL 43 N -5.40 0.53 -0.26 1.56 1.01 -1.26 -0.66 120.40 115.92 3rsk s VAL 43 Ca -0.13 -1.01 -0.26 0.00 0.00 0.00 0.00 61.98 60.57 3rsk s VAL 43 Cb 0.09 -0.59 0.12 0.00 0.00 0.00 0.00 36.38 36.01 3rsk s VAL 43 CO 0.75 -0.34 1.04 0.21 0.00 0.00 0.00 175.10 176.75 3rsk s ASN 44 N -1.47 -0.42 -0.06 3.32 2.47 -0.82 -5.02 114.94 112.94 3rsk s ASN 44 Ca -0.09 0.76 0.05 0.00 0.42 0.00 0.00 52.86 54.00 3rsk s ASN 44 Cb -0.09 0.74 -0.02 0.00 -1.45 0.00 0.00 41.25 40.43 3rsk s ASN 44 CO 0.00 -0.18 -0.22 -0.89 -3.72 0.00 0.00 177.10 172.09 3rsk s THR 45 N -0.04 2.35 -0.11 -5.21 2.01 -1.26 -0.60 115.64 112.79 3rsk s THR 45 Ca 0.02 -0.97 -0.02 0.00 0.31 0.00 0.00 61.69 61.03 3rsk s THR 45 Cb -0.04 -1.87 -0.03 0.00 0.01 0.00 0.00 72.50 70.56 3rsk s THR 45 CO -0.05 0.57 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.07 3rsk s PHE 46 N -0.31 3.09 -0.20 4.92 0.08 -0.47 -4.38 117.98 120.70 3rsk s PHE 46 Ca 0.01 0.02 -0.06 0.00 0.12 0.00 0.00 56.93 57.02 3rsk s PHE 46 Cb -0.13 -1.84 -0.03 0.00 -0.57 0.00 0.00 43.02 40.46 3rsk s PHE 46 CO 0.02 0.29 0.02 0.08 -0.10 0.00 0.00 175.22 175.53 3rsk s VAL 47 N -0.45 4.17 -1.08 -0.44 1.01 0.16 -1.20 120.40 122.57 3rsk s VAL 47 Ca 0.08 -0.24 -0.04 0.00 0.00 0.00 0.00 61.98 61.77 3rsk s VAL 47 Cb -0.12 -2.89 0.30 0.00 0.00 0.00 0.00 36.38 33.67 3rsk s VAL 47 CO 0.02 0.42 1.42 1.41 0.00 0.00 0.00 175.10 178.37 3rsk n HIS 48 N 4.17 2.69 -4.07 5.22 -0.00 0.29 -1.59 115.22 121.94 3rsk n HIS 48 Ca -0.17 -2.79 -0.11 0.00 -0.00 0.00 0.00 57.72 54.65 3rsk n HIS 48 Cb 0.52 -1.30 -0.06 0.00 -0.00 0.00 0.00 29.99 29.15 3rsk n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3rsk s GLU 49 N -2.59 1.58 0.56 -0.41 0.41 -1.26 -4.44 118.70 112.55 3rsk s GLU 49 Ca 0.31 -1.48 -0.17 0.00 -0.41 0.00 0.00 54.97 53.22 3rsk s GLU 49 Cb 0.03 0.42 -0.05 0.00 -1.78 0.00 0.00 34.13 32.75 3rsk s GLU 49 CO 0.08 -0.63 1.05 -1.54 -0.49 0.00 0.00 175.26 173.73 3rsk s SER 50 N -3.11 5.94 0.22 -0.19 1.04 -1.26 -4.26 113.70 112.08 3rsk s SER 50 Ca 0.28 1.86 -0.07 0.00 0.48 0.00 0.00 55.95 58.50 3rsk s SER 50 Cb 0.01 -2.54 0.31 0.00 0.10 0.00 0.00 66.02 63.90 3rsk s SER 50 CO 0.13 -1.06 1.80 0.25 0.98 0.00 0.00 173.24 175.34 3rsk h LEU 51 N 0.77 0.57 -0.49 2.42 5.85 -1.99 0.32 115.31 122.76 3rsk h LEU 51 Ca -0.48 0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.36 3rsk h LEU 51 Cb 1.22 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.13 3rsk h LEU 51 CO 0.58 0.35 0.15 0.00 -0.34 0.00 0.00 178.44 179.18 3rsk h ALA 52 N 1.40 0.58 -0.55 1.25 0.00 -1.99 0.88 119.26 120.84 3rsk h ALA 52 Ca 0.34 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.27 3rsk h ALA 52 Cb 0.28 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3rsk h ALA 52 CO -0.22 -0.25 0.13 -0.44 0.00 0.00 0.00 179.25 178.47 3rsk h ASP 53 N 0.31 0.79 -0.12 0.00 3.32 -1.34 -1.52 116.42 117.87 3rsk h ASP 53 Ca 0.24 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 3rsk h ASP 53 Cb 0.27 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 3rsk h ASP 53 CO -0.26 0.78 -0.09 0.58 -1.72 0.00 0.00 179.24 178.53 3rsk h VAL 54 N 0.81 1.34 -0.35 -1.35 2.07 -0.55 -3.01 116.25 115.22 3rsk h VAL 54 Ca 0.18 -1.18 0.07 0.00 0.82 0.00 0.00 66.70 66.59 3rsk h VAL 54 Cb 0.30 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 3rsk h VAL 54 CO -0.00 0.34 0.24 1.56 0.02 0.00 0.00 177.57 179.73 3rsk h GLN 55 N -0.10 0.15 0.00 1.57 4.20 -0.67 -0.85 115.11 119.41 3rsk h GLN 55 Ca 0.02 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3rsk h GLN 55 Cb 0.58 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.32 3rsk h GLN 55 CO 0.02 0.10 0.00 0.00 -0.67 0.00 0.00 178.83 178.28 3rsk h ALA 56 N 1.82 1.00 0.00 3.87 0.00 -1.13 -2.60 119.26 122.22 3rsk h ALA 56 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3rsk h ALA 56 Cb 0.43 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3rsk h ALA 56 CO -0.02 0.00 -0.13 0.28 0.00 0.00 0.00 179.25 179.38 3rsk h VAL 57 N 0.00 0.78 0.00 0.00 2.07 -1.17 -1.79 116.25 116.14 3rsk h VAL 57 Ca 0.00 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3rsk h VAL 57 Cb 0.31 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 3rsk h VAL 57 CO 0.00 0.13 0.00 0.00 0.02 0.00 0.00 177.57 177.72 3rsk n SER 59 N -1.15 1.79 0.00 0.00 3.41 -0.67 -5.02 113.62 111.98 3rsk n SER 59 Ca 0.04 -2.19 0.00 0.00 -0.26 0.00 0.00 58.87 56.45 3rsk n SER 59 Cb 0.03 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 3rsk n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3rsk n GLN 60 N -0.68 0.00 -2.67 4.33 6.02 0.15 -5.00 117.38 119.53 3rsk n GLN 60 Ca 0.04 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.61 3rsk n GLN 60 Cb 0.41 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.64 3rsk n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3rsk s LYS 61 N 3.70 3.57 -0.03 -1.09 2.47 -0.90 -4.88 119.74 122.57 3rsk s LYS 61 Ca 0.00 0.27 -0.30 0.00 -1.56 0.00 0.00 55.97 54.38 3rsk s LYS 61 Cb 0.00 -3.96 -0.05 0.00 -1.46 0.00 0.00 37.83 32.36 3rsk s LYS 61 CO 0.00 -1.46 1.42 1.21 0.16 0.00 0.00 175.35 176.68 3rsk s ASN 62 N 2.63 6.83 0.27 1.43 3.04 -1.26 0.11 114.94 127.99 3rsk s ASN 62 Ca 0.42 2.07 0.02 0.00 0.04 0.00 0.00 52.86 55.42 3rsk s ASN 62 Cb -0.08 -2.55 -0.04 0.00 -1.54 0.00 0.00 41.25 37.03 3rsk s ASN 62 CO 0.27 -0.76 0.16 0.68 -3.04 0.00 0.00 177.10 174.42 3rsk s VAL 63 N 2.82 0.17 0.34 -5.21 -7.23 -0.04 -4.91 120.40 106.32 3rsk s VAL 63 Ca 0.64 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.57 3rsk s VAL 63 Cb -0.30 -2.52 -0.10 0.00 0.56 0.00 0.00 36.38 34.02 3rsk s VAL 63 CO 0.25 0.00 0.91 0.00 -0.31 0.00 0.00 175.10 175.95 3rsk s ALA 64 N -3.80 3.20 0.69 1.32 0.00 -1.26 -3.04 121.76 118.87 3rsk s ALA 64 Ca 0.38 0.43 -0.10 0.00 0.00 0.00 0.00 51.96 52.67 3rsk s ALA 64 Cb 0.05 -3.12 0.02 0.00 0.00 0.00 0.00 23.12 20.08 3rsk s ALA 64 CO 0.17 0.19 1.06 0.00 0.00 0.00 0.00 175.76 177.18 3rsk h ALA 66 N -0.60 1.82 -0.04 0.00 0.00 -1.94 -0.07 119.26 118.43 3rsk h ALA 66 Ca -0.45 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3rsk h ALA 66 Cb 1.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3rsk h ALA 66 CO 0.63 0.14 0.00 0.27 0.00 0.00 0.00 179.25 180.29 3rsk n ASN 67 N -4.42 0.27 0.00 0.00 0.23 -1.26 -4.87 115.26 105.21 3rsk n ASN 67 Ca -0.02 -1.78 0.00 0.00 -0.53 0.00 0.00 54.58 52.25 3rsk n ASN 67 Cb 0.17 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 37.84 3rsk n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3rsk n GLY 68 N 0.69 2.36 3.75 4.83 0.00 -0.04 -5.03 105.19 111.75 3rsk n GLY 68 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 3rsk n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3rsk s GLN 69 N -0.37 1.76 -0.18 1.61 -0.21 -1.26 -4.66 119.66 116.35 3rsk s GLN 69 Ca 0.00 0.89 0.16 0.00 0.02 0.00 0.00 55.36 56.43 3rsk s GLN 69 Cb 0.00 -1.86 0.41 0.00 1.00 0.00 0.00 33.01 32.56 3rsk s GLN 69 CO 0.00 -1.91 1.29 0.25 -2.12 0.00 0.00 175.29 172.80 3rsk n THR 70 N -3.67 2.15 -1.34 -0.19 -2.24 -1.26 0.37 114.28 108.10 3rsk n THR 70 Ca 0.08 -2.34 -0.34 0.00 -2.27 0.00 0.00 64.05 59.18 3rsk n THR 70 Cb 0.55 -0.26 0.07 0.00 -2.10 0.00 0.00 70.33 68.59 3rsk n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3rsk n ASN 71 N -1.06 7.62 -4.72 3.42 6.94 -1.26 -4.71 115.26 121.49 3rsk n ASN 71 Ca 0.21 -3.74 -0.29 0.00 -0.02 0.00 0.00 54.58 50.73 3rsk n ASN 71 Cb 0.78 -0.99 -0.07 0.00 -2.36 0.00 0.00 39.78 37.14 3rsk n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3rsk s TYR 73 N -1.49 0.57 -0.15 0.00 1.51 0.58 -0.86 117.35 117.50 3rsk s TYR 73 Ca 0.28 -0.11 -0.07 0.00 -1.01 0.00 0.00 57.07 56.16 3rsk s TYR 73 Cb -0.11 -0.37 -0.04 0.00 -0.11 0.00 0.00 41.96 41.33 3rsk s TYR 73 CO 0.20 -0.01 0.08 -1.14 -1.11 0.00 0.00 175.55 173.57 3rsk s GLN 74 N -0.12 3.68 0.38 -0.62 0.74 0.30 -1.26 119.66 122.77 3rsk s GLN 74 Ca 0.02 -0.27 -0.27 0.00 0.05 0.00 0.00 55.36 54.89 3rsk s GLN 74 Cb -0.03 -3.16 -0.09 0.00 1.10 0.00 0.00 33.01 30.82 3rsk s GLN 74 CO -0.00 0.50 1.32 -1.54 -0.55 0.00 0.00 175.29 175.02 3rsk s SER 75 N -0.26 6.44 0.15 6.67 1.04 -0.03 -2.13 113.70 125.59 3rsk s SER 75 Ca 0.09 2.71 -0.16 0.00 0.48 0.00 0.00 55.95 59.07 3rsk s SER 75 Cb -0.12 -2.64 0.01 0.00 0.10 0.00 0.00 66.02 63.37 3rsk s SER 75 CO 0.01 -0.77 1.80 1.88 0.98 0.00 0.00 173.24 177.15 3rsk h TYR 76 N 2.91 0.52 -1.51 5.02 0.05 -1.94 -3.44 116.97 118.57 3rsk h TYR 76 Ca -0.50 0.01 -0.55 0.00 0.05 0.00 0.00 58.73 57.74 3rsk h TYR 76 Cb 1.24 -0.17 -0.07 0.00 1.01 0.00 0.00 36.73 38.74 3rsk h TYR 76 CO 0.54 0.34 -0.45 -1.54 -1.05 0.00 0.00 178.16 176.00 3rsk s SER 77 N -5.59 4.60 0.52 3.88 1.04 -1.26 -5.08 113.70 111.82 3rsk s SER 77 Ca -0.13 -1.00 -0.17 0.00 0.48 0.00 0.00 55.95 55.13 3rsk s SER 77 Cb 0.11 -0.45 -0.07 0.00 0.10 0.00 0.00 66.02 65.70 3rsk s SER 77 CO 0.73 -0.60 1.00 0.42 0.98 0.00 0.00 173.24 175.76 3rsk s THR 78 N -2.58 4.35 0.19 2.02 -4.23 -1.26 -4.51 115.64 109.63 3rsk s THR 78 Ca 0.42 1.16 0.07 0.00 -1.18 0.00 0.00 61.69 62.16 3rsk s THR 78 Cb 0.02 -3.64 -0.05 0.00 1.34 0.00 0.00 72.50 70.17 3rsk s THR 78 CO 0.24 -0.61 -0.13 -0.04 -0.54 0.00 0.00 174.62 173.53 3rsk s MET 79 N -3.98 1.25 -0.17 3.99 -1.94 0.26 -4.84 119.30 113.87 3rsk s MET 79 Ca 0.60 -1.55 -0.29 0.00 -1.71 0.00 0.00 55.69 52.74 3rsk s MET 79 Cb -0.11 -0.98 -0.00 0.00 2.01 0.00 0.00 34.83 35.74 3rsk s MET 79 CO 0.31 0.16 1.01 0.45 -0.01 0.00 0.00 175.02 176.93 3rsk s SER 80 N -3.27 7.15 0.14 3.03 0.15 -1.26 -1.08 113.70 118.55 3rsk s SER 80 Ca 0.21 1.43 0.01 0.00 0.70 0.00 0.00 55.95 58.30 3rsk s SER 80 Cb 0.00 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.73 3rsk s SER 80 CO 0.05 -0.56 -0.01 0.27 1.20 0.00 0.00 173.24 174.19 3rsk s ILE 81 N 2.63 0.59 -0.15 6.45 -4.36 0.18 -0.55 121.20 125.99 3rsk s ILE 81 Ca 0.45 -1.95 -0.01 0.00 -0.26 0.00 0.00 60.65 58.88 3rsk s ILE 81 Cb -0.16 -1.96 0.04 0.00 1.25 0.00 0.00 42.46 41.63 3rsk s ILE 81 CO 0.11 -0.61 -0.03 -0.89 0.24 0.00 0.00 174.94 173.76 3rsk s THR 82 N -3.71 0.90 -0.04 8.37 2.01 -0.34 -1.01 115.64 121.82 3rsk s THR 82 Ca 0.20 -0.47 -0.21 0.00 0.31 0.00 0.00 61.69 61.51 3rsk s THR 82 Cb 0.06 -1.11 -0.05 0.00 0.01 0.00 0.00 72.50 71.41 3rsk s THR 82 CO 0.00 0.12 0.62 -0.62 -0.69 0.00 0.00 174.62 174.06 3rsk s ASP 83 N 1.72 6.95 -0.11 3.53 -1.08 0.62 -1.37 116.67 126.94 3rsk s ASP 83 Ca 0.02 1.14 0.03 0.00 -0.52 0.00 0.00 52.55 53.21 3rsk s ASP 83 Cb -0.15 -2.37 0.01 0.00 -1.46 0.00 0.00 42.92 38.95 3rsk s ASP 83 CO -0.07 0.02 -0.20 0.00 0.52 0.00 0.00 175.17 175.43 3rsk s ARG 85 N 0.68 0.31 0.42 0.00 3.52 -0.79 -1.95 118.95 121.12 3rsk s ARG 85 Ca -0.12 0.08 -0.26 0.00 -0.13 0.00 0.00 55.73 55.30 3rsk s ARG 85 Cb -0.16 -0.51 -0.09 0.00 -1.56 0.00 0.00 34.95 32.63 3rsk s ARG 85 CO 0.02 -0.15 1.38 -2.00 -0.81 0.00 0.00 175.30 173.75 3rsk s GLU 86 N 1.09 3.88 0.61 5.12 2.12 0.17 -0.19 118.70 131.50 3rsk s GLU 86 Ca -0.09 2.33 -0.11 0.00 0.36 0.00 0.00 54.97 57.45 3rsk s GLU 86 Cb -0.13 -2.76 -0.04 0.00 0.26 0.00 0.00 34.13 31.46 3rsk s GLU 86 CO -0.02 -0.62 1.03 0.95 -0.54 0.00 0.00 175.26 176.05 3rsk s THR 87 N -1.21 4.70 0.42 -1.70 -4.23 -0.80 -4.83 115.64 107.98 3rsk s THR 87 Ca 0.58 0.90 0.10 0.00 -1.18 0.00 0.00 61.69 62.09 3rsk s THR 87 Cb -0.42 -3.86 0.20 0.00 1.34 0.00 0.00 72.50 69.76 3rsk s THR 87 CO 0.54 -1.12 1.99 1.23 -0.54 0.00 0.00 174.62 176.72 3rsk h GLY 88 N -0.24 0.26 1.25 3.99 0.00 -1.94 -2.87 103.07 103.53 3rsk h GLY 88 Ca -0.44 -0.13 -0.26 0.00 0.00 0.00 0.00 47.33 46.50 3rsk h GLY 88 CO 0.62 0.13 -1.02 1.48 0.00 0.00 0.00 176.54 177.75 3rsk h SER 89 N 0.24 0.87 -1.64 0.19 4.64 -1.96 -3.46 113.55 112.42 3rsk h SER 89 Ca 0.06 -0.69 -0.69 0.00 -0.47 0.00 0.00 61.79 59.99 3rsk h SER 89 Cb 0.22 -0.27 0.05 0.00 -0.31 0.00 0.00 62.40 62.09 3rsk h SER 89 CO 0.01 1.49 0.52 -0.24 -0.87 0.00 0.00 176.83 177.74 3rsk n SER 90 N -3.85 1.74 -3.78 4.97 2.88 -1.08 -4.98 113.62 109.52 3rsk n SER 90 Ca -0.10 1.11 -0.18 0.00 -1.33 0.00 0.00 58.87 58.37 3rsk n SER 90 Cb 0.87 -1.18 -0.17 0.00 -0.75 0.00 0.00 64.21 62.99 3rsk n SER 90 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 3rsk s LYS 91 N 1.01 0.21 0.29 -1.46 2.20 -1.17 -4.94 119.74 115.89 3rsk s LYS 91 Ca 0.87 0.15 -0.29 0.00 -0.36 0.00 0.00 55.97 56.34 3rsk s LYS 91 Cb -0.98 -0.51 -0.13 0.00 -1.51 0.00 0.00 37.83 34.70 3rsk s LYS 91 CO 0.50 -0.19 1.19 0.98 -0.36 0.00 0.00 175.35 177.47 3rsk n TYR 92 N 4.46 1.77 -0.10 4.03 9.36 -1.26 0.68 117.16 136.11 3rsk n TYR 92 Ca -0.20 0.60 0.08 0.00 3.32 0.00 0.00 57.90 61.70 3rsk n TYR 92 Cb 0.50 -2.35 0.28 0.00 -0.63 0.00 0.00 39.34 37.15 3rsk n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3rsk n PRO 93 N 0.97 2.99 -3.13 2.98 -0.04 -1.26 -4.96 135.00 132.55 3rsk n PRO 93 Ca 0.09 -2.26 -0.44 0.00 -0.04 0.00 0.00 63.50 60.85 3rsk n PRO 93 Cb 0.33 -1.69 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 3rsk n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3rsk n ASN 94 N 0.96 5.51 -4.75 3.54 4.13 0.22 -5.00 115.26 119.87 3rsk n ASN 94 Ca 0.21 -3.07 -0.40 0.00 1.68 0.00 0.00 54.58 53.00 3rsk n ASN 94 Cb 0.68 -1.43 -0.06 0.00 -1.54 0.00 0.00 39.78 37.43 3rsk n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3rsk s ALA 96 N -1.05 0.06 0.05 0.00 0.00 -1.26 -5.01 121.76 114.55 3rsk s ALA 96 Ca 0.42 -0.21 0.02 0.00 0.00 0.00 0.00 51.96 52.19 3rsk s ALA 96 Cb -0.27 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 3rsk s ALA 96 CO 0.33 -0.05 -0.07 0.71 0.00 0.00 0.00 175.76 176.68 3rsk s TYR 97 N -0.51 0.68 -0.20 0.00 1.51 -1.26 -1.90 117.35 115.66 3rsk s TYR 97 Ca -0.05 -0.59 -0.11 0.00 -1.01 0.00 0.00 57.07 55.31 3rsk s TYR 97 Cb -0.04 -0.41 -0.05 0.00 -0.11 0.00 0.00 41.96 41.36 3rsk s TYR 97 CO -0.00 -0.11 0.16 0.21 -1.11 0.00 0.00 175.55 174.70 3rsk s LYS 98 N -2.02 4.19 -0.20 -0.62 2.20 0.74 -4.64 119.74 119.40 3rsk s LYS 98 Ca -0.06 -0.16 -0.13 0.00 -0.36 0.00 0.00 55.97 55.26 3rsk s LYS 98 Cb -0.07 -3.43 -0.05 0.00 -1.51 0.00 0.00 37.83 32.77 3rsk s LYS 98 CO -0.01 0.27 0.25 0.99 -0.36 0.00 0.00 175.35 176.49 3rsk s THR 99 N 0.44 5.32 -0.21 3.43 2.01 -1.26 -1.89 115.64 123.48 3rsk s THR 99 Ca 0.10 0.42 -0.02 0.00 0.31 0.00 0.00 61.69 62.50 3rsk s THR 99 Cb -0.12 -3.59 0.06 0.00 0.01 0.00 0.00 72.50 68.87 3rsk s THR 99 CO -0.00 0.36 0.01 -0.89 -0.69 0.00 0.00 174.62 173.40 3rsk s THR 100 N 0.79 0.85 0.07 -0.82 2.01 -0.39 -4.96 115.64 113.20 3rsk s THR 100 Ca 0.13 -0.78 -0.19 0.00 0.31 0.00 0.00 61.69 61.16 3rsk s THR 100 Cb -0.13 -1.28 -0.07 0.00 0.01 0.00 0.00 72.50 71.03 3rsk s THR 100 CO 0.04 -0.18 0.56 -1.58 -0.69 0.00 0.00 174.62 172.77 3rsk s GLN 101 N 1.71 4.19 0.23 4.92 2.00 -1.26 -0.27 119.66 131.17 3rsk s GLN 101 Ca -0.03 0.73 -0.22 0.00 -2.00 0.00 0.00 55.36 53.84 3rsk s GLN 101 Cb -0.18 -3.24 0.06 0.00 0.80 0.00 0.00 33.01 30.45 3rsk s GLN 101 CO -0.07 0.64 0.90 0.00 -0.50 0.00 0.00 175.29 176.25 3rsk s ALA 102 N -1.11 -1.39 -0.29 1.58 0.00 -0.18 -4.99 121.76 115.38 3rsk s ALA 102 Ca 0.29 -0.22 0.01 0.00 0.00 0.00 0.00 51.96 52.04 3rsk s ALA 102 Cb -0.19 0.72 0.07 0.00 0.00 0.00 0.00 23.12 23.71 3rsk s ALA 102 CO 0.19 -1.04 -0.03 -0.80 0.00 0.00 0.00 175.76 174.08 3rsk s ASN 103 N -3.06 4.68 0.26 0.00 0.01 -1.26 -0.65 114.94 114.92 3rsk s ASN 103 Ca 0.15 -1.53 0.01 0.00 -0.71 0.00 0.00 52.86 50.78 3rsk s ASN 103 Cb -0.03 -1.63 -0.03 0.00 0.41 0.00 0.00 41.25 39.97 3rsk s ASN 103 CO 0.06 -0.26 0.23 -0.54 -1.51 0.00 0.00 177.10 175.07 3rsk s LYS 104 N 1.12 1.47 0.40 -0.60 1.02 -0.25 -4.76 119.74 118.13 3rsk s LYS 104 Ca -0.04 -1.74 -0.13 0.00 0.02 0.00 0.00 55.97 54.08 3rsk s LYS 104 Cb -0.20 0.32 -0.08 0.00 -0.52 0.00 0.00 37.83 37.35 3rsk s LYS 104 CO -0.04 -0.53 0.80 -1.01 -0.92 0.00 0.00 175.35 173.65 3rsk s HIS 105 N -3.82 3.43 0.23 3.18 3.76 -0.33 0.89 115.29 122.63 3rsk s HIS 105 Ca 0.38 1.19 0.10 0.00 -0.15 0.00 0.00 55.06 56.58 3rsk s HIS 105 Cb 0.04 -2.54 -0.04 0.00 1.11 0.00 0.00 32.58 31.15 3rsk s HIS 105 CO 0.18 -0.09 -0.13 0.96 -0.85 0.00 0.00 174.74 174.81 3rsk s ILE 106 N -2.29 2.92 -0.09 0.60 -4.36 -1.26 -0.20 121.20 116.51 3rsk s ILE 106 Ca 0.54 -1.98 0.00 0.00 -0.26 0.00 0.00 60.65 58.95 3rsk s ILE 106 Cb -0.10 -2.49 0.02 0.00 1.25 0.00 0.00 42.46 41.14 3rsk s ILE 106 CO 0.26 -0.25 -0.07 -0.63 0.24 0.00 0.00 174.94 174.49 3rsk s ILE 107 N -2.05 0.93 0.13 8.37 1.01 0.02 -0.85 121.20 128.77 3rsk s ILE 107 Ca 0.27 -0.26 0.04 0.00 0.00 0.00 0.00 60.65 60.70 3rsk s ILE 107 Cb -0.07 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.42 3rsk s ILE 107 CO 0.15 0.34 -0.10 0.68 0.00 0.00 0.00 174.94 176.01 3rsk s VAL 108 N 1.45 1.10 -0.14 2.92 -7.23 -0.39 -0.62 120.40 117.49 3rsk s VAL 108 Ca -0.00 -1.92 -0.10 0.00 -1.81 0.00 0.00 61.98 58.15 3rsk s VAL 108 Cb -0.13 -1.69 -0.05 0.00 0.56 0.00 0.00 36.38 35.07 3rsk s VAL 108 CO -0.05 -0.68 0.19 0.00 -0.31 0.00 0.00 175.10 174.25 3rsk s ALA 109 N -3.02 3.75 0.15 1.32 0.00 0.13 -0.31 121.76 123.78 3rsk s ALA 109 Ca 0.13 -0.59 0.09 0.00 0.00 0.00 0.00 51.96 51.60 3rsk s ALA 109 Cb 0.01 -2.14 -0.04 0.00 0.00 0.00 0.00 23.12 20.94 3rsk s ALA 109 CO 0.00 0.37 -0.15 0.00 0.00 0.00 0.00 175.76 175.98 3rsk s GLU 111 N -2.51 1.17 0.11 0.00 2.12 0.23 -4.89 118.70 114.93 3rsk s GLU 111 Ca 0.21 -0.52 0.00 0.00 0.36 0.00 0.00 54.97 55.02 3rsk s GLU 111 Cb -0.09 0.48 0.00 0.00 0.26 0.00 0.00 34.13 34.78 3rsk s GLU 111 CO 0.12 -0.52 0.00 0.41 -0.54 0.00 0.00 175.26 174.73 3rsk n GLY 112 N -0.36 -3.05 2.71 -1.50 0.00 -1.26 -1.54 105.19 100.18 3rsk n GLY 112 Ca -0.10 -1.83 -0.20 0.00 0.00 0.00 0.00 46.02 43.89 3rsk n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3rsk s ASN 113 N -1.66 1.98 0.59 1.61 2.47 -1.26 -1.29 114.94 117.38 3rsk s ASN 113 Ca 0.00 -0.69 -0.17 0.00 0.42 0.00 0.00 52.86 52.43 3rsk s ASN 113 Cb 0.00 0.27 -0.04 0.00 -1.45 0.00 0.00 41.25 40.04 3rsk s ASN 113 CO 0.00 -0.38 1.08 -2.16 -3.72 0.00 0.00 177.10 171.92 3rsk s PRO 114 N 2.29 3.23 -0.69 0.43 0.04 -1.26 -5.07 135.00 133.98 3rsk s PRO 114 Ca 0.08 1.34 -0.26 0.00 0.04 0.00 0.00 61.00 62.20 3rsk s PRO 114 Cb -0.15 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 3rsk s PRO 114 CO -0.26 -0.90 1.71 -0.47 0.04 0.00 0.00 177.00 177.11 3rsk s TYR 115 N -2.25 1.86 0.39 0.56 5.04 -0.41 -4.88 117.35 117.66 3rsk s TYR 115 Ca 0.66 0.50 0.06 0.00 -2.44 0.00 0.00 57.07 55.85 3rsk s TYR 115 Cb -0.19 -4.25 -0.07 0.00 0.35 0.00 0.00 41.96 37.81 3rsk s TYR 115 CO 0.35 -2.19 0.03 0.14 -1.34 0.00 0.00 175.55 172.53 3rsk s VAL 116 N 8.17 1.70 0.17 3.14 -7.23 -0.59 -4.79 120.40 120.96 3rsk s VAL 116 Ca 0.58 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.45 3rsk s VAL 116 Cb -0.10 -2.88 -0.08 0.00 0.56 0.00 0.00 36.38 33.88 3rsk s VAL 116 CO 0.16 0.00 1.21 -2.84 -0.31 0.00 0.00 175.10 173.32 3rsk s PRO 117 N -3.77 4.47 0.00 4.82 0.02 -1.26 -0.61 135.00 138.68 3rsk s PRO 117 Ca 0.33 1.87 0.00 0.00 0.02 0.00 0.00 61.00 63.23 3rsk s PRO 117 Cb 0.09 -3.25 0.00 0.00 0.02 0.00 0.00 34.50 31.36 3rsk s PRO 117 CO 0.16 -0.13 0.13 1.33 -0.33 0.00 0.00 177.00 178.17 3rsk n VAL 118 N 2.75 0.00 -3.65 3.83 0.24 0.13 -4.53 118.33 117.10 3rsk n VAL 118 Ca 0.05 -0.41 -0.14 0.00 -2.04 0.00 0.00 64.34 61.80 3rsk n VAL 118 Cb 0.45 1.06 -0.08 0.00 -1.47 0.00 0.00 33.84 33.80 3rsk n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3rsk s HIS 119 N -0.56 -0.69 -0.35 6.34 5.65 -1.14 -4.73 115.29 119.83 3rsk s HIS 119 Ca 0.00 1.63 -0.17 0.00 0.25 0.00 0.00 55.06 56.77 3rsk s HIS 119 Cb 0.00 0.25 -0.01 0.00 -1.18 0.00 0.00 32.58 31.65 3rsk s HIS 119 CO 0.00 -0.36 0.48 0.12 -0.65 0.00 0.00 174.74 174.32 3rsk s PHE 120 N 0.16 3.19 -0.17 3.88 2.19 -1.26 -0.70 117.98 125.27 3rsk s PHE 120 Ca -0.01 0.13 -0.24 0.00 0.33 0.00 0.00 56.93 57.14 3rsk s PHE 120 Cb -0.04 -2.86 -0.23 0.00 -1.31 0.00 0.00 43.02 38.58 3rsk s PHE 120 CO 0.02 -0.51 0.49 0.22 1.83 0.00 0.00 175.22 177.27 3rsk h ASP 121 N 8.45 0.05 -5.74 6.13 3.58 -1.21 -3.48 116.42 124.19 3rsk h ASP 121 Ca -0.28 -0.76 0.31 0.00 0.42 0.00 0.00 57.03 56.72 3rsk h ASP 121 Cb 1.13 -0.01 -0.09 0.00 1.72 0.00 0.00 39.33 42.07 3rsk h ASP 121 CO 0.75 1.30 0.82 0.00 -2.88 0.00 0.00 179.24 179.23 3rsk s ALA 122 N -2.32 -2.23 0.11 -0.78 0.00 -1.11 -4.99 121.76 110.45 3rsk s ALA 122 Ca -0.24 0.37 0.10 0.00 0.00 0.00 0.00 51.96 52.19 3rsk s ALA 122 Cb 0.02 0.58 -0.04 0.00 0.00 0.00 0.00 23.12 23.68 3rsk s ALA 122 CO 0.65 -1.09 -0.24 -1.54 0.00 0.00 0.00 175.76 173.55 3rsk s SER 123 N -3.28 2.97 0.00 0.00 1.04 -1.26 -0.80 113.70 112.37 3rsk s SER 123 Ca 0.20 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 55.91 3rsk s SER 123 Cb 0.02 -0.19 0.00 0.00 0.10 0.00 0.00 66.02 65.96 3rsk s SER 123 CO -0.02 0.13 0.12 0.52 0.98 0.00 0.00 173.24 174.97