#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gbp s ARG 4 N 0.00 3.90 -0.17 1.09 0.52 -1.26 -0.15 118.95 122.88 3gbp s ARG 4 Ca 0.00 -0.35 -0.02 0.00 -0.52 0.00 0.00 55.73 54.84 3gbp s ARG 4 Cb 0.00 -3.50 -0.01 0.00 0.52 0.00 0.00 34.95 31.96 3gbp s ARG 4 CO 0.00 -0.09 -0.10 0.42 0.02 0.00 0.00 175.30 175.55 3gbp s ILE 5 N 1.43 3.09 -0.14 1.52 1.01 0.28 -0.68 121.20 127.72 3gbp s ILE 5 Ca 0.06 -0.62 -0.07 0.00 0.00 0.00 0.00 60.65 60.03 3gbp s ILE 5 Cb -0.15 -2.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 3gbp s ILE 5 CO 0.07 0.48 0.10 -0.83 0.00 0.00 0.00 174.94 174.76 3gbp s GLY 6 N 0.91 2.05 -0.06 6.18 0.00 -1.06 0.07 107.32 115.41 3gbp s GLY 6 Ca -0.02 -0.69 0.03 0.00 0.00 0.00 0.00 44.72 44.03 3gbp s GLY 6 CO -0.00 -0.27 -0.13 0.14 0.00 0.00 0.00 173.10 172.84 3gbp s VAL 7 N -0.58 1.15 -0.07 1.40 1.01 -0.15 -2.07 120.40 121.09 3gbp s VAL 7 Ca 0.12 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.64 3gbp s VAL 7 Cb -0.12 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 3gbp s VAL 7 CO 0.02 0.35 -0.19 0.42 0.00 0.00 0.00 175.10 175.70 3gbp s THR 8 N 0.54 2.59 -0.13 3.92 -4.23 -0.98 -0.51 115.64 116.84 3gbp s THR 8 Ca -0.12 -0.88 -0.02 0.00 -1.18 0.00 0.00 61.69 59.49 3gbp s THR 8 Cb -0.15 -2.00 -0.02 0.00 1.34 0.00 0.00 72.50 71.67 3gbp s THR 8 CO 0.03 0.57 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.98 3gbp s ILE 9 N -0.30 3.56 0.41 2.99 -1.09 -0.60 -1.59 121.20 124.58 3gbp s ILE 9 Ca 0.01 -0.48 0.15 0.00 -2.23 0.00 0.00 60.65 58.10 3gbp s ILE 9 Cb -0.13 -2.53 0.16 0.00 -1.58 0.00 0.00 42.46 38.39 3gbp s ILE 9 CO 0.03 0.52 1.93 0.10 -1.23 0.00 0.00 174.94 176.29 3gbp h TYR 10 N 6.51 0.00 -1.81 3.97 -0.00 -1.82 -0.53 116.97 123.29 3gbp h TYR 10 Ca -0.31 0.00 0.01 0.00 -0.00 0.00 0.00 58.73 58.43 3gbp h TYR 10 Cb 1.20 0.00 -0.23 0.00 -0.00 0.00 0.00 36.73 37.69 3gbp h TYR 10 CO 0.52 0.25 -0.27 0.21 -0.00 0.00 0.00 178.16 178.87 3gbp s LYS 11 N -4.40 0.49 0.49 0.10 2.20 -1.26 -0.25 119.74 117.11 3gbp s LYS 11 Ca -0.03 1.11 0.26 0.00 -0.36 0.00 0.00 55.97 56.94 3gbp s LYS 11 Cb 0.15 0.47 1.24 0.00 -1.51 0.00 0.00 37.83 38.19 3gbp s LYS 11 CO 0.70 -0.40 1.97 1.88 -0.36 0.00 0.00 175.35 179.14 3gbp h TYR 12 N 8.06 0.00 -0.61 4.03 -1.99 -1.94 -2.83 116.97 121.69 3gbp h TYR 12 Ca -0.19 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.54 3gbp h TYR 12 Cb 1.13 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.86 3gbp h TYR 12 CO 0.16 0.17 0.00 -0.40 -0.00 0.00 0.00 178.16 178.09 3gbp n ASP 13 N -3.54 4.67 -4.69 3.88 3.85 -1.26 -4.33 116.55 115.13 3gbp n ASP 13 Ca -0.01 -2.47 -0.42 0.00 -0.71 0.00 0.00 54.79 51.17 3gbp n ASP 13 Cb 0.31 -0.58 -0.03 0.00 -1.35 0.00 0.00 41.12 39.48 3gbp n ASP 13 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3gbp s ASP 14 N -0.85 6.75 0.20 -1.12 -1.08 -1.07 -4.93 116.67 114.57 3gbp s ASP 14 Ca 0.49 2.29 -0.08 0.00 -0.52 0.00 0.00 52.55 54.74 3gbp s ASP 14 Cb 0.32 -2.57 0.13 0.00 -1.46 0.00 0.00 42.92 39.35 3gbp s ASP 14 CO 0.23 -0.77 1.72 0.78 0.52 0.00 0.00 175.17 177.65 3gbp h ASN 15 N 7.79 1.07 0.01 -0.34 4.21 -1.90 -0.68 115.58 125.74 3gbp h ASN 15 Ca -0.40 -0.23 -0.22 0.00 1.21 0.00 0.00 56.30 56.65 3gbp h ASN 15 Cb 1.19 -0.28 0.01 0.00 -1.12 0.00 0.00 38.32 38.12 3gbp h ASN 15 CO 0.91 1.03 -0.83 0.15 -1.29 0.00 0.00 177.43 177.40 3gbp h PHE 16 N 1.07 0.91 0.00 1.19 3.57 -1.97 -3.08 116.94 118.63 3gbp h PHE 16 Ca 0.22 -0.43 -0.02 0.00 3.53 0.00 0.00 57.97 61.28 3gbp h PHE 16 Cb 0.38 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 3gbp h PHE 16 CO 0.03 1.24 -0.08 0.52 -2.23 0.00 0.00 178.31 177.79 3gbp h MET 17 N 0.43 0.00 -0.21 1.11 2.86 -1.82 -2.11 114.93 115.19 3gbp h MET 17 Ca -0.06 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.41 3gbp h MET 17 Cb 1.45 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.11 3gbp h MET 17 CO 0.16 0.08 -0.57 1.03 1.06 0.00 0.00 176.91 178.68 3gbp h SER 18 N 0.00 0.72 0.50 1.22 0.87 -1.08 0.97 113.55 116.75 3gbp h SER 18 Ca -0.00 -0.39 -0.20 0.00 -1.23 0.00 0.00 61.79 59.97 3gbp h SER 18 Cb 0.44 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 3gbp h SER 18 CO 0.01 1.13 -0.86 1.62 -0.53 0.00 0.00 176.83 178.20 3gbp h VAL 19 N 0.49 1.46 -0.01 2.23 3.04 -1.31 -2.85 116.25 119.29 3gbp h VAL 19 Ca 0.01 -2.51 0.00 0.00 -1.01 0.00 0.00 66.70 63.19 3gbp h VAL 19 Cb 1.13 2.40 -0.00 0.00 -2.01 0.00 0.00 31.29 32.81 3gbp h VAL 19 CO 0.11 0.74 0.01 0.58 -1.01 0.00 0.00 177.57 178.00 3gbp h VAL 20 N 0.15 1.02 -0.13 1.51 2.07 -1.37 -2.13 116.25 117.37 3gbp h VAL 20 Ca -0.05 -0.07 0.05 0.00 0.82 0.00 0.00 66.70 67.45 3gbp h VAL 20 Cb 1.48 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 32.24 3gbp h VAL 20 CO 0.14 0.02 -0.20 -0.09 0.02 0.00 0.00 177.57 177.46 3gbp h ARG 21 N -0.01 -0.24 -0.77 1.57 2.43 -0.85 0.28 114.38 116.79 3gbp h ARG 21 Ca 0.00 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3gbp h ARG 21 Cb 0.02 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.59 3gbp h ARG 21 CO -0.00 -0.16 0.48 0.87 -1.51 0.00 0.00 179.97 179.64 3gbp h LYS 22 N -0.25 1.04 -0.33 0.20 1.57 -1.49 -0.45 116.57 116.86 3gbp h LYS 22 Ca 0.10 -0.08 -0.16 0.00 -1.87 0.00 0.00 60.65 58.64 3gbp h LYS 22 Cb 0.40 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3gbp h LYS 22 CO -0.28 0.72 -0.42 0.00 -0.57 0.00 0.00 179.45 178.90 3gbp h ALA 23 N 1.47 0.63 0.06 3.86 0.00 -0.65 -1.54 119.26 123.09 3gbp h ALA 23 Ca 0.28 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3gbp h ALA 23 Cb -0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3gbp h ALA 23 CO -0.05 0.67 -0.06 0.82 0.00 0.00 0.00 179.25 180.63 3gbp h ILE 24 N 0.67 0.86 -0.63 0.00 2.04 -0.44 -1.88 117.51 118.12 3gbp h ILE 24 Ca 0.05 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.96 3gbp h ILE 24 Cb 0.99 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 37.88 3gbp h ILE 24 CO 0.10 0.00 0.36 -0.33 0.00 0.00 0.00 178.15 178.27 3gbp h GLU 25 N -0.14 0.65 -0.46 2.37 5.08 -0.96 -1.49 114.58 119.64 3gbp h GLU 25 Ca 0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3gbp h GLU 25 Cb 0.14 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3gbp h GLU 25 CO -0.02 0.43 0.24 -0.22 -1.00 0.00 0.00 179.01 178.45 3gbp h LYS 26 N 0.67 0.64 -0.31 2.33 3.11 -0.87 -1.60 116.57 120.54 3gbp h LYS 26 Ca 0.28 -0.08 0.05 0.00 -2.81 0.00 0.00 60.65 58.09 3gbp h LYS 26 Cb 0.14 -0.12 -0.05 0.00 -1.00 0.00 0.00 32.23 31.20 3gbp h LYS 26 CO -0.16 0.52 0.04 -0.44 -2.81 0.00 0.00 179.45 176.59 3gbp h ASP 27 N 0.60 -0.05 -0.83 4.20 3.32 -1.03 -1.22 116.42 121.42 3gbp h ASP 27 Ca 0.16 0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.29 3gbp h ASP 27 Cb 0.07 0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.67 3gbp h ASP 27 CO -0.02 0.01 0.54 1.23 -1.72 0.00 0.00 179.24 179.28 3gbp h GLY 28 N 0.14 1.19 2.00 2.75 0.00 -0.81 -2.48 103.07 105.86 3gbp h GLY 28 Ca 0.15 -0.42 -0.10 0.00 0.00 0.00 0.00 47.33 46.96 3gbp h GLY 28 CO -0.22 0.39 -0.46 0.50 0.00 0.00 0.00 176.54 176.75 3gbp h LYS 29 N 1.08 0.00 0.00 4.80 1.57 -0.80 -2.64 116.57 120.58 3gbp h LYS 29 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 3gbp h LYS 29 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.25 3gbp h LYS 29 CO -0.09 0.46 0.00 -1.13 -0.57 0.00 0.00 179.45 178.12 3gbp n SER 30 N -3.90 0.28 -4.21 0.86 3.41 -0.50 -4.58 113.62 104.97 3gbp n SER 30 Ca -0.01 0.54 -0.41 0.00 -0.26 0.00 0.00 58.87 58.73 3gbp n SER 30 Cb 0.49 -0.61 -0.08 0.00 -0.26 0.00 0.00 64.21 63.75 3gbp n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gbp s ALA 31 N -3.07 3.40 0.58 7.33 0.00 -1.00 -4.99 121.76 124.01 3gbp s ALA 31 Ca 0.10 -2.54 0.38 0.00 0.00 0.00 0.00 51.96 49.90 3gbp s ALA 31 Cb 0.14 -2.83 2.10 0.00 0.00 0.00 0.00 23.12 22.53 3gbp s ALA 31 CO 0.46 -1.91 2.29 -1.00 0.00 0.00 0.00 175.76 175.60 3gbp h PRO 32 N 8.46 0.00 -0.56 0.00 0.13 -1.81 -2.59 132.00 135.63 3gbp h PRO 32 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 3gbp h PRO 32 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3gbp h PRO 32 CO 0.87 0.01 0.00 -0.40 -0.23 0.00 0.00 178.00 178.25 3gbp n ASP 33 N -3.34 2.88 -4.28 1.44 3.85 -1.26 -4.91 116.55 110.94 3gbp n ASP 33 Ca -0.03 -2.21 -0.28 0.00 -0.71 0.00 0.00 54.79 51.56 3gbp n ASP 33 Cb 0.11 -0.41 -0.15 0.00 -1.35 0.00 0.00 41.12 39.31 3gbp n ASP 33 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 3gbp s VAL 34 N -1.66 1.87 -0.18 2.12 1.01 -0.98 -0.15 120.40 122.43 3gbp s VAL 34 Ca 0.30 -1.14 0.01 0.00 0.00 0.00 0.00 61.98 61.15 3gbp s VAL 34 Cb 0.19 -1.58 0.03 0.00 0.00 0.00 0.00 36.38 35.02 3gbp s VAL 34 CO 0.16 0.41 -0.13 -1.58 0.00 0.00 0.00 175.10 173.96 3gbp s GLN 35 N -0.86 2.21 -0.03 2.72 0.74 0.78 -4.87 119.66 120.35 3gbp s GLN 35 Ca 0.09 -0.74 -0.18 0.00 0.05 0.00 0.00 55.36 54.58 3gbp s GLN 35 Cb -0.09 -2.31 -0.05 0.00 1.10 0.00 0.00 33.01 31.65 3gbp s GLN 35 CO 0.00 -0.34 0.51 -0.51 -0.55 0.00 0.00 175.29 174.41 3gbp s LEU 36 N 1.42 4.41 -0.33 3.68 1.43 -1.26 -0.56 118.68 127.47 3gbp s LEU 36 Ca 0.02 1.03 0.01 0.00 -1.03 0.00 0.00 54.13 54.15 3gbp s LEU 36 Cb -0.15 -2.77 0.08 0.00 0.03 0.00 0.00 46.19 43.38 3gbp s LEU 36 CO -0.09 0.15 0.03 -0.76 0.23 0.00 0.00 176.35 175.91 3gbp s LEU 37 N -0.29 4.34 0.16 1.79 1.43 0.11 -4.91 118.68 121.30 3gbp s LEU 37 Ca 0.27 -1.71 -0.30 0.00 -1.03 0.00 0.00 54.13 51.37 3gbp s LEU 37 Cb -0.17 -1.68 -0.07 0.00 0.03 0.00 0.00 46.19 44.30 3gbp s LEU 37 CO 0.14 -0.34 0.96 -0.04 0.23 0.00 0.00 176.35 177.31 3gbp s MET 38 N 1.10 4.75 0.00 1.70 -1.94 -1.26 -0.97 119.30 122.68 3gbp s MET 38 Ca 0.01 1.48 0.00 0.00 -1.71 0.00 0.00 55.69 55.48 3gbp s MET 38 Cb -0.20 -3.33 -0.00 0.00 2.01 0.00 0.00 34.83 33.30 3gbp s MET 38 CO -0.04 0.32 -0.01 -0.80 -0.01 0.00 0.00 175.02 174.47 3gbp s ASN 39 N -0.45 0.16 -0.34 3.03 0.02 0.33 -4.94 114.94 112.75 3gbp s ASN 39 Ca 0.45 -0.06 -0.14 0.00 -1.02 0.00 0.00 52.86 52.09 3gbp s ASN 39 Cb -0.25 -0.01 -0.02 0.00 0.02 0.00 0.00 41.25 41.00 3gbp s ASN 39 CO 0.31 -0.01 0.29 -0.62 0.02 0.00 0.00 177.10 177.09 3gbp s ASP 40 N -0.14 6.11 0.12 -1.22 2.15 -1.26 -1.55 116.67 120.87 3gbp s ASP 40 Ca -0.01 -0.35 0.25 0.00 0.43 0.00 0.00 52.55 52.87 3gbp s ASP 40 Cb -0.01 -2.16 0.95 0.00 -0.30 0.00 0.00 42.92 41.39 3gbp s ASP 40 CO -0.00 -0.28 1.76 -1.20 -0.17 0.00 0.00 175.17 175.29 3gbp n SER 41 N 5.21 0.41 -3.52 -0.34 7.64 -0.21 -4.94 113.62 117.89 3gbp n SER 41 Ca -0.11 0.56 -0.23 0.00 1.01 0.00 0.00 58.87 60.09 3gbp n SER 41 Cb 0.50 -0.66 0.08 0.00 -1.01 0.00 0.00 64.21 63.11 3gbp n SER 41 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gbp n GLN 42 N -1.91 -7.75 -2.73 1.43 6.02 -1.00 -2.56 117.38 108.89 3gbp n GLN 42 Ca 0.05 0.81 -0.17 0.00 -0.01 0.00 0.00 57.00 57.68 3gbp n GLN 42 Cb 0.33 -5.81 -0.00 0.00 1.02 0.00 0.00 30.24 25.78 3gbp n GLN 42 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3gbp n ASN 43 N -2.92 -4.31 -4.01 1.08 5.15 0.65 -4.97 115.26 105.93 3gbp n ASN 43 Ca -0.01 -0.02 -0.30 0.00 -0.60 0.00 0.00 54.58 53.65 3gbp n ASN 43 Cb 0.56 -3.61 -0.16 0.00 -0.53 0.00 0.00 39.78 36.04 3gbp n ASN 43 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3gbp s ASP 44 N -2.28 2.72 0.24 1.20 -1.08 -1.06 -5.04 116.67 111.38 3gbp s ASP 44 Ca 0.13 -0.51 -0.00 0.00 -0.52 0.00 0.00 52.55 51.64 3gbp s ASP 44 Cb -0.07 -1.17 0.29 0.00 -1.46 0.00 0.00 42.92 40.51 3gbp s ASP 44 CO 0.16 -0.07 1.65 -0.61 0.52 0.00 0.00 175.17 176.82 3gbp h GLN 45 N 8.05 0.57 -0.20 4.34 5.75 -1.93 -1.83 115.11 129.86 3gbp h GLN 45 Ca -0.37 -0.25 -0.08 0.00 -0.15 0.00 0.00 58.65 57.81 3gbp h GLN 45 Cb 1.13 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.65 3gbp h GLN 45 CO 0.52 0.81 -0.22 0.77 -2.65 0.00 0.00 178.83 178.06 3gbp h SER 46 N 0.48 0.35 -0.24 -0.69 0.02 -1.96 0.25 113.55 111.76 3gbp h SER 46 Ca 0.06 -0.10 0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3gbp h SER 46 Cb 0.78 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.21 3gbp h SER 46 CO 0.06 0.58 0.10 0.50 -1.14 0.00 0.00 176.83 176.93 3gbp h LYS 47 N 0.32 0.22 -0.43 3.45 1.63 -1.78 -1.62 116.57 118.35 3gbp h LYS 47 Ca 0.05 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.80 3gbp h LYS 47 Cb 0.57 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.13 3gbp h LYS 47 CO 0.04 0.14 0.10 0.37 -3.45 0.00 0.00 179.45 176.65 3gbp h GLN 48 N 0.22 0.69 -1.00 1.90 4.15 -0.45 -2.18 115.11 118.44 3gbp h GLN 48 Ca 0.10 -0.17 0.09 0.00 0.77 0.00 0.00 58.65 59.44 3gbp h GLN 48 Cb 0.05 -0.09 -0.07 0.00 0.21 0.00 0.00 27.48 27.58 3gbp h GLN 48 CO -0.09 0.70 0.64 -0.91 -1.93 0.00 0.00 178.83 177.24 3gbp h ASN 49 N 0.56 0.99 0.61 -0.69 2.35 -0.20 -0.24 115.58 118.96 3gbp h ASN 49 Ca 0.13 0.02 -0.16 0.00 -0.55 0.00 0.00 56.30 55.74 3gbp h ASN 49 Cb 0.32 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 3gbp h ASN 49 CO 0.00 0.60 -0.74 0.44 -1.65 0.00 0.00 177.43 176.08 3gbp h ASP 50 N 1.10 0.13 0.14 5.81 3.32 -1.11 -2.69 116.42 123.12 3gbp h ASP 50 Ca 0.46 -0.09 -0.09 0.00 0.02 0.00 0.00 57.03 57.33 3gbp h ASP 50 Cb 0.29 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 3gbp h ASP 50 CO -0.21 0.82 -0.31 1.56 -1.72 0.00 0.00 179.24 179.39 3gbp h GLN 51 N 0.07 0.26 -0.16 3.56 4.20 -0.43 -2.22 115.11 120.38 3gbp h GLN 51 Ca -0.02 -0.10 -0.11 0.00 0.06 0.00 0.00 58.65 58.48 3gbp h GLN 51 Cb 1.31 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.06 3gbp h GLN 51 CO 0.11 0.55 -0.38 0.82 -0.67 0.00 0.00 178.83 179.26 3gbp h ILE 52 N 0.23 1.30 -0.55 2.54 2.04 -1.08 -1.35 117.51 120.63 3gbp h ILE 52 Ca 0.03 -1.48 -0.04 0.00 1.00 0.00 0.00 64.86 64.37 3gbp h ILE 52 Cb 0.67 1.59 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 3gbp h ILE 52 CO 0.05 0.45 0.20 0.44 0.00 0.00 0.00 178.15 179.29 3gbp h ASP 53 N 0.30 0.79 -0.20 1.72 3.45 -1.15 -1.78 116.42 119.54 3gbp h ASP 53 Ca 0.03 -0.19 -0.12 0.00 0.43 0.00 0.00 57.03 57.18 3gbp h ASP 53 Cb 0.80 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 39.36 3gbp h ASP 53 CO 0.06 0.77 -0.27 0.58 -1.57 0.00 0.00 179.24 178.81 3gbp h VAL 54 N 0.76 1.28 -0.58 -1.35 2.07 -1.16 -1.03 116.25 116.24 3gbp h VAL 54 Ca 0.18 -1.38 -0.08 0.00 0.82 0.00 0.00 66.70 66.24 3gbp h VAL 54 Cb 0.24 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 3gbp h VAL 54 CO -0.01 0.45 0.05 -0.07 0.02 0.00 0.00 177.57 178.01 3gbp h LEU 55 N 0.59 0.96 -0.64 2.57 3.38 -1.14 -0.73 115.31 120.30 3gbp h LEU 55 Ca 0.08 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 3gbp h LEU 55 Cb 0.76 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 3gbp h LEU 55 CO 0.06 1.01 0.18 -0.07 0.09 0.00 0.00 178.44 179.71 3gbp h LEU 56 N 0.89 0.96 -1.41 1.67 3.38 -1.22 -2.50 115.31 117.07 3gbp h LEU 56 Ca 0.17 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 57.96 3gbp h LEU 56 Cb 0.49 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 3gbp h LEU 56 CO 0.02 0.93 0.44 0.00 0.09 0.00 0.00 178.44 179.92 3gbp h ALA 57 N 1.07 1.68 -0.00 1.53 0.00 -0.74 0.56 119.26 123.35 3gbp h ALA 57 Ca 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3gbp h ALA 57 Cb 0.33 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3gbp h ALA 57 CO -0.00 0.24 0.00 1.63 0.00 0.00 0.00 179.25 181.12 3gbp n LYS 58 N -4.47 1.01 -2.23 0.00 5.02 -0.32 -4.94 118.16 112.22 3gbp n LYS 58 Ca 0.09 -0.01 -0.04 0.00 -2.02 0.00 0.00 58.31 56.33 3gbp n LYS 58 Cb 0.17 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 3gbp n LYS 58 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gbp n GLY 59 N 0.83 0.35 3.78 0.72 0.00 0.19 -5.01 105.19 106.05 3gbp n GLY 59 Ca 0.16 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 45.13 3gbp n GLY 59 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gbp s VAL 60 N -2.41 3.42 -0.75 1.61 -7.23 -1.16 -4.76 120.40 109.11 3gbp s VAL 60 Ca 0.03 1.02 0.24 0.00 -1.81 0.00 0.00 61.98 61.46 3gbp s VAL 60 Cb -0.01 -3.50 -0.02 0.00 0.56 0.00 0.00 36.38 33.41 3gbp s VAL 60 CO 0.03 -0.05 1.25 0.29 -0.31 0.00 0.00 175.10 176.31 3gbp n LYS 61 N -0.51 0.20 -3.48 4.82 4.76 0.14 -4.94 118.16 119.15 3gbp n LYS 61 Ca 0.07 0.03 -0.14 0.00 -2.87 0.00 0.00 58.31 55.40 3gbp n LYS 61 Cb 0.50 -1.60 -0.04 0.00 -1.84 0.00 0.00 35.03 32.05 3gbp n LYS 61 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3gbp s ALA 62 N -3.12 -1.72 -0.03 7.82 0.00 -1.25 -4.08 121.76 119.38 3gbp s ALA 62 Ca 0.07 0.97 0.04 0.00 0.00 0.00 0.00 51.96 53.04 3gbp s ALA 62 Cb 0.15 0.35 -0.00 0.00 0.00 0.00 0.00 23.12 23.62 3gbp s ALA 62 CO 0.74 -0.55 -0.14 -0.51 0.00 0.00 0.00 175.76 175.30 3gbp s LEU 63 N -1.93 1.90 -0.21 0.00 1.43 -0.03 -2.57 118.68 117.27 3gbp s LEU 63 Ca -0.04 -0.28 0.01 0.00 -1.03 0.00 0.00 54.13 52.78 3gbp s LEU 63 Cb -0.01 -0.79 0.03 0.00 0.03 0.00 0.00 46.19 45.45 3gbp s LEU 63 CO -0.02 0.13 -0.15 0.00 0.23 0.00 0.00 176.35 176.54 3gbp s ALA 64 N 0.01 2.46 -0.07 4.21 0.00 -0.88 -0.32 121.76 127.16 3gbp s ALA 64 Ca -0.02 -1.35 0.04 0.00 0.00 0.00 0.00 51.96 50.64 3gbp s ALA 64 Cb -0.09 -1.37 0.00 0.00 0.00 0.00 0.00 23.12 21.66 3gbp s ALA 64 CO 0.01 -0.57 -0.19 0.42 0.00 0.00 0.00 175.76 175.42 3gbp s ILE 65 N 1.28 1.66 -0.38 0.00 -1.09 0.46 -2.33 121.20 120.81 3gbp s ILE 65 Ca 0.02 -0.81 -0.03 0.00 -2.23 0.00 0.00 60.65 57.60 3gbp s ILE 65 Cb -0.15 -1.45 0.09 0.00 -1.58 0.00 0.00 42.46 39.37 3gbp s ILE 65 CO -0.10 0.47 0.14 0.21 -1.23 0.00 0.00 174.94 174.44 3gbp s ASN 66 N 0.29 5.16 0.62 3.58 3.04 -0.62 -0.81 114.94 126.20 3gbp s ASN 66 Ca -0.12 -1.79 -0.18 0.00 0.04 0.00 0.00 52.86 50.81 3gbp s ASN 66 Cb -0.15 -1.80 -0.02 0.00 -1.54 0.00 0.00 41.25 37.74 3gbp s ASN 66 CO 0.05 -0.46 1.21 -0.76 -3.04 0.00 0.00 177.10 174.11 3gbp s LEU 67 N 1.18 3.59 -0.12 3.21 1.43 -1.26 -3.16 118.68 123.55 3gbp s LEU 67 Ca 0.04 2.38 -0.14 0.00 -1.03 0.00 0.00 54.13 55.38 3gbp s LEU 67 Cb -0.22 -4.60 -0.13 0.00 0.03 0.00 0.00 46.19 41.28 3gbp s LEU 67 CO -0.03 -1.73 0.36 0.58 0.23 0.00 0.00 176.35 175.77 3gbp h VAL 68 N 0.64 0.86 -3.78 -1.59 2.07 -1.91 -3.44 116.25 109.11 3gbp h VAL 68 Ca -0.50 -1.66 -0.64 0.00 0.82 0.00 0.00 66.70 64.72 3gbp h VAL 68 Cb 1.30 1.64 -0.19 0.00 -1.52 0.00 0.00 31.29 32.51 3gbp h VAL 68 CO 0.54 0.29 -0.56 -0.62 0.02 0.00 0.00 177.57 177.24 3gbp s ASP 69 N -5.89 5.67 0.54 0.57 -1.08 -1.26 -4.97 116.67 110.24 3gbp s ASP 69 Ca -0.10 -0.08 0.34 0.00 -0.52 0.00 0.00 52.55 52.19 3gbp s ASP 69 Cb -0.01 -2.04 1.52 0.00 -1.46 0.00 0.00 42.92 40.92 3gbp s ASP 69 CO 0.34 -0.04 1.84 -0.65 0.52 0.00 0.00 175.17 177.19 3gbp h PRO 70 N 8.25 0.01 0.00 4.34 0.11 -1.88 -0.32 132.00 142.51 3gbp h PRO 70 Ca -0.36 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3gbp h PRO 70 Cb 1.18 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3gbp h PRO 70 CO 0.57 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.36 3gbp n ALA 71 N -2.74 2.03 1.92 -0.75 0.00 -1.26 -3.33 120.51 116.38 3gbp n ALA 71 Ca 0.22 -0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.81 3gbp n ALA 71 Cb 1.12 -1.42 0.88 0.00 0.00 0.00 0.00 19.45 20.02 3gbp n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gbp n ALA 72 N -1.71 2.64 -0.26 0.00 0.00 -0.13 -4.25 120.51 116.79 3gbp n ALA 72 Ca 0.04 -0.18 0.06 0.00 0.00 0.00 0.00 53.44 53.36 3gbp n ALA 72 Cb 0.33 -1.48 0.18 0.00 0.00 0.00 0.00 19.45 18.47 3gbp n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gbp h ALA 73 N 3.88 0.87 -0.25 0.00 0.00 -1.73 -1.51 119.26 120.54 3gbp h ALA 73 Ca 0.00 0.22 0.04 0.00 0.00 0.00 0.00 54.91 55.17 3gbp h ALA 73 Cb 0.00 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 3gbp h ALA 73 CO 0.00 -0.41 -0.02 0.78 0.00 0.00 0.00 179.25 179.61 3gbp h GLY 74 N 0.16 0.22 0.55 0.00 0.00 -1.89 -0.17 103.07 101.93 3gbp h GLY 74 Ca 0.42 0.04 0.06 0.00 0.00 0.00 0.00 47.33 47.86 3gbp h GLY 74 CO -0.62 -0.06 0.10 -0.84 0.00 0.00 0.00 176.54 175.12 3gbp h THR 75 N 0.05 0.82 -0.34 4.70 2.02 -1.62 -0.66 112.91 117.88 3gbp h THR 75 Ca 0.12 -0.08 -0.04 0.00 0.77 0.00 0.00 66.41 67.18 3gbp h THR 75 Cb 0.16 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 3gbp h THR 75 CO -0.21 0.04 0.07 0.58 0.37 0.00 0.00 175.52 176.37 3gbp h VAL 76 N 0.24 1.23 -0.91 3.16 2.07 -0.49 -2.75 116.25 118.80 3gbp h VAL 76 Ca 0.19 -0.79 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 3gbp h VAL 76 Cb 0.22 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 3gbp h VAL 76 CO -0.23 0.26 0.56 0.40 0.02 0.00 0.00 177.57 178.58 3gbp h ILE 77 N 0.40 1.25 0.00 4.57 2.04 -0.66 -0.81 117.51 124.30 3gbp h ILE 77 Ca 0.11 -0.51 -0.08 0.00 1.00 0.00 0.00 64.86 65.37 3gbp h ILE 77 Cb 0.32 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 3gbp h ILE 77 CO 0.00 0.25 -0.40 -0.33 0.00 0.00 0.00 178.15 177.68 3gbp h GLU 78 N 1.25 0.00 -0.02 2.37 4.39 -0.86 0.46 114.58 122.18 3gbp h GLU 78 Ca 0.33 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.87 3gbp h GLU 78 Cb -0.08 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.58 3gbp h GLU 78 CO -0.06 0.40 -0.61 0.87 -1.16 0.00 0.00 179.01 178.45 3gbp h LYS 79 N 0.00 0.44 -0.57 2.33 1.57 -1.16 -3.21 116.57 115.96 3gbp h LYS 79 Ca -0.00 -0.45 -0.10 0.00 -1.87 0.00 0.00 60.65 58.22 3gbp h LYS 79 Cb 0.75 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 3gbp h LYS 79 CO 0.05 1.11 -0.05 0.00 -0.57 0.00 0.00 179.45 179.99 3gbp h ALA 80 N 0.35 0.78 -0.76 3.86 0.00 -0.74 -3.29 119.26 119.44 3gbp h ALA 80 Ca -0.07 -0.33 0.07 0.00 0.00 0.00 0.00 54.91 54.58 3gbp h ALA 80 Cb 1.31 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 3gbp h ALA 80 CO 0.12 0.65 0.44 -0.09 0.00 0.00 0.00 179.25 180.37 3gbp h ARG 81 N 0.93 0.77 -0.83 0.00 2.43 -0.97 -1.68 114.38 115.02 3gbp h ARG 81 Ca 0.16 -0.05 0.18 0.00 -0.81 0.00 0.00 59.98 59.46 3gbp h ARG 81 Cb 0.61 -0.17 -0.06 0.00 -0.42 0.00 0.00 29.97 29.93 3gbp h ARG 81 CO 0.04 0.51 0.55 0.78 -1.51 0.00 0.00 179.97 180.34 3gbp h GLY 82 N 0.79 0.77 -2.63 2.80 0.00 -1.62 0.72 103.07 103.90 3gbp h GLY 82 Ca 0.35 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.50 3gbp h GLY 82 CO -0.20 0.03 0.00 -0.18 0.00 0.00 0.00 176.54 176.19 3gbp n GLN 83 N -4.49 3.13 -4.19 4.80 7.27 -0.71 -4.96 117.38 118.24 3gbp n GLN 83 Ca 0.17 -2.68 -0.33 0.00 0.07 0.00 0.00 57.00 54.23 3gbp n GLN 83 Cb 0.62 -1.66 -0.04 0.00 2.41 0.00 0.00 30.24 31.57 3gbp n GLN 83 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 3gbp n ASN 84 N 1.26 -1.47 -4.77 1.69 3.02 0.24 -4.96 115.26 110.28 3gbp n ASN 84 Ca 0.23 -1.08 -0.36 0.00 -0.03 0.00 0.00 54.58 53.35 3gbp n ASN 84 Cb 0.71 -2.54 -0.07 0.00 -0.61 0.00 0.00 39.78 37.26 3gbp n ASN 84 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3gbp s VAL 85 N -3.69 5.41 0.46 2.41 1.01 -0.72 -5.00 120.40 120.28 3gbp s VAL 85 Ca 0.39 0.19 -0.25 0.00 0.00 0.00 0.00 61.98 62.30 3gbp s VAL 85 Cb -0.21 -3.43 -0.08 0.00 0.00 0.00 0.00 36.38 32.65 3gbp s VAL 85 CO 0.94 0.49 1.39 -2.65 0.00 0.00 0.00 175.10 175.28 3gbp n PRO 86 N 3.06 2.13 -4.03 2.72 -0.02 -1.26 -4.49 135.00 133.10 3gbp n PRO 86 Ca -0.17 0.76 -0.29 0.00 -2.02 0.00 0.00 63.50 61.78 3gbp n PRO 86 Cb 0.53 -2.58 -0.17 0.00 -0.02 0.00 0.00 33.50 31.26 3gbp n PRO 86 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3gbp s VAL 87 N -1.20 1.40 -0.44 -1.45 1.01 -0.98 -0.85 120.40 117.89 3gbp s VAL 87 Ca 0.62 -0.53 -0.14 0.00 0.00 0.00 0.00 61.98 61.93 3gbp s VAL 87 Cb -0.46 -1.34 0.06 0.00 0.00 0.00 0.00 36.38 34.64 3gbp s VAL 87 CO 0.57 0.43 0.33 -0.69 0.00 0.00 0.00 175.10 175.73 3gbp s VAL 88 N 1.49 4.99 0.25 2.92 1.01 0.56 -1.39 120.40 130.24 3gbp s VAL 88 Ca 0.04 -1.00 -0.30 0.00 0.00 0.00 0.00 61.98 60.72 3gbp s VAL 88 Cb -0.13 -3.92 -0.09 0.00 0.00 0.00 0.00 36.38 32.24 3gbp s VAL 88 CO -0.09 -0.46 1.03 -0.36 0.00 0.00 0.00 175.10 175.22 3gbp s PHE 89 N 1.60 3.75 0.07 5.22 0.08 -0.02 -0.40 117.98 128.28 3gbp s PHE 89 Ca 0.04 1.78 -0.01 0.00 0.12 0.00 0.00 56.93 58.87 3gbp s PHE 89 Cb -0.22 -3.16 -0.04 0.00 -0.57 0.00 0.00 43.02 39.03 3gbp s PHE 89 CO 0.07 -0.14 -0.02 -0.59 -0.10 0.00 0.00 175.22 174.44 3gbp s PHE 90 N -1.09 0.64 0.00 0.36 -0.12 0.01 -1.45 117.98 116.33 3gbp s PHE 90 Ca 0.43 -1.07 0.00 0.00 -0.05 0.00 0.00 56.93 56.25 3gbp s PHE 90 Cb -0.29 -0.43 0.00 0.00 -0.63 0.00 0.00 43.02 41.67 3gbp s PHE 90 CO 0.37 -0.36 0.00 -1.71 -0.05 0.00 0.00 175.22 173.47 3gbp n ASN 91 N 0.05 0.00 -4.50 1.98 2.85 -0.23 -4.47 115.26 110.93 3gbp n ASN 91 Ca -0.12 0.00 -0.40 0.00 -0.11 0.00 0.00 54.58 53.95 3gbp n ASN 91 Cb 0.61 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 41.53 3gbp n ASN 91 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 3gbp s LYS 92 N 0.00 3.44 -0.10 1.20 1.02 -1.26 -4.94 119.74 119.09 3gbp s LYS 92 Ca 0.00 -0.67 -0.29 0.00 0.02 0.00 0.00 55.97 55.02 3gbp s LYS 92 Cb 0.00 -3.74 -0.01 0.00 -0.52 0.00 0.00 37.83 33.56 3gbp s LYS 92 CO 0.00 -0.44 0.99 -2.00 -0.92 0.00 0.00 175.35 172.98 3gbp s GLU 93 N 1.69 4.42 0.77 1.68 2.12 -1.26 -4.75 118.70 123.36 3gbp s GLU 93 Ca 0.06 1.36 -0.11 0.00 0.36 0.00 0.00 54.97 56.64 3gbp s GLU 93 Cb -0.17 -3.54 0.06 0.00 0.26 0.00 0.00 34.13 30.73 3gbp s GLU 93 CO 0.09 -0.30 1.10 -2.14 -0.54 0.00 0.00 175.26 173.47 3gbp s PRO 94 N 1.95 2.24 0.39 4.30 0.02 -1.26 -4.83 135.00 137.82 3gbp s PRO 94 Ca 0.48 1.21 -0.24 0.00 0.02 0.00 0.00 61.00 62.47 3gbp s PRO 94 Cb -0.18 -1.89 -0.12 0.00 0.02 0.00 0.00 34.50 32.33 3gbp s PRO 94 CO 0.18 -1.66 0.82 0.45 -0.33 0.00 0.00 177.00 176.46 3gbp n SER 95 N -3.45 0.38 -0.29 2.53 2.88 -1.26 -4.79 113.62 109.62 3gbp n SER 95 Ca 0.09 1.01 -0.00 0.00 -1.33 0.00 0.00 58.87 58.64 3gbp n SER 95 Cb 0.53 -1.24 0.19 0.00 -0.75 0.00 0.00 64.21 62.94 3gbp n SER 95 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 3gbp h ARG 96 N 1.30 1.13 -0.00 -1.46 9.65 -1.99 -0.49 114.38 122.51 3gbp h ARG 96 Ca -0.42 -0.07 -0.14 0.00 -1.10 0.00 0.00 59.98 58.26 3gbp h ARG 96 Cb 1.37 -0.25 -0.02 0.00 -1.39 0.00 0.00 29.97 29.67 3gbp h ARG 96 CO 0.55 0.74 -0.67 0.87 2.80 0.00 0.00 179.97 184.27 3gbp h LYS 97 N 1.16 0.01 -0.08 0.20 1.57 -1.97 0.14 116.57 117.59 3gbp h LYS 97 Ca 0.32 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.04 3gbp h LYS 97 Cb -0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.21 3gbp h LYS 97 CO -0.08 0.67 -0.16 0.00 -0.57 0.00 0.00 179.45 179.31 3gbp h ALA 98 N 1.33 0.13 -0.67 3.86 0.00 -1.75 -1.23 119.26 120.93 3gbp h ALA 98 Ca -0.01 -0.35 0.10 0.00 0.00 0.00 0.00 54.91 54.65 3gbp h ALA 98 Cb 1.18 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.87 3gbp h ALA 98 CO 0.09 0.05 0.28 -0.07 0.00 0.00 0.00 179.25 179.60 3gbp h LEU 99 N -0.21 0.32 -1.34 0.00 3.38 -0.86 -1.54 115.31 115.06 3gbp h LEU 99 Ca 0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3gbp h LEU 99 Cb 0.74 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3gbp h LEU 99 CO 0.04 0.17 0.00 0.44 0.09 0.00 0.00 178.44 179.18 3gbp h ASP 100 N 0.48 0.00 0.57 -0.43 3.45 -0.93 -3.18 116.42 116.38 3gbp h ASP 100 Ca 0.34 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.80 3gbp h ASP 100 Cb 0.42 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.19 3gbp h ASP 100 CO -0.31 0.00 0.00 -1.54 -1.57 0.00 0.00 179.24 175.82 3gbp n SER 101 N -2.95 0.00 -3.80 6.45 3.41 -0.47 -4.73 113.62 111.53 3gbp n SER 101 Ca 0.01 0.34 -0.13 0.00 -0.26 0.00 0.00 58.87 58.83 3gbp n SER 101 Cb 0.29 -0.43 -0.14 0.00 -0.26 0.00 0.00 64.21 63.67 3gbp n SER 101 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3gbp s TYR 102 N -2.87 -0.07 0.06 7.33 5.04 -1.20 -5.02 117.35 120.62 3gbp s TYR 102 Ca 0.12 0.25 0.28 0.00 -2.44 0.00 0.00 57.07 55.28 3gbp s TYR 102 Cb 0.13 -0.06 1.05 0.00 0.35 0.00 0.00 41.96 43.43 3gbp s TYR 102 CO 0.34 -0.08 1.87 0.22 -1.34 0.00 0.00 175.55 176.55 3gbp h ASP 103 N 6.63 0.00 -0.33 4.32 3.58 -1.85 -3.17 116.42 125.60 3gbp h ASP 103 Ca -0.34 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.03 3gbp h ASP 103 Cb 1.17 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.17 3gbp h ASP 103 CO 0.46 0.11 0.01 0.29 -2.88 0.00 0.00 179.24 177.23 3gbp n LYS 104 N -3.23 2.64 -3.60 0.28 5.02 -1.26 -4.96 118.16 113.05 3gbp n LYS 104 Ca 0.01 -2.96 -0.36 0.00 -2.02 0.00 0.00 58.31 52.97 3gbp n LYS 104 Cb 0.39 -1.87 -0.08 0.00 -0.02 0.00 0.00 35.03 33.45 3gbp n LYS 104 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gbp s ALA 105 N -2.97 3.61 0.20 7.82 0.00 -1.20 -2.31 121.76 126.91 3gbp s ALA 105 Ca 0.44 -0.68 0.06 0.00 0.00 0.00 0.00 51.96 51.79 3gbp s ALA 105 Cb 0.37 -2.36 -0.05 0.00 0.00 0.00 0.00 23.12 21.08 3gbp s ALA 105 CO 0.07 -0.07 -0.10 0.71 0.00 0.00 0.00 175.76 176.37 3gbp s TYR 106 N 0.81 1.59 -0.04 0.00 1.51 -0.48 -4.92 117.35 115.82 3gbp s TYR 106 Ca 0.12 -0.69 0.03 0.00 -1.01 0.00 0.00 57.07 55.51 3gbp s TYR 106 Cb -0.13 -0.81 0.01 0.00 -0.11 0.00 0.00 41.96 40.92 3gbp s TYR 106 CO 0.03 0.21 -0.11 -0.47 -1.11 0.00 0.00 175.55 174.11 3gbp s TYR 107 N -3.14 1.16 -0.22 2.71 5.04 -0.53 -0.84 117.35 121.54 3gbp s TYR 107 Ca 0.22 -0.33 -0.02 0.00 -2.44 0.00 0.00 57.07 54.50 3gbp s TYR 107 Cb 0.02 -0.84 0.01 0.00 0.35 0.00 0.00 41.96 41.50 3gbp s TYR 107 CO 0.06 -0.15 -0.09 0.08 -1.34 0.00 0.00 175.55 174.11 3gbp s VAL 108 N 0.32 2.91 0.00 3.14 1.01 -0.53 -1.20 120.40 126.05 3gbp s VAL 108 Ca -0.06 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.17 3gbp s VAL 108 Cb -0.11 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.93 3gbp s VAL 108 CO 0.01 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.12 3gbp n GLY 109 N 4.72 4.34 3.24 4.51 0.00 0.02 -1.07 105.19 120.95 3gbp n GLY 109 Ca -0.18 -0.43 -0.10 0.00 0.00 0.00 0.00 46.02 45.31 3gbp n GLY 109 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gbp s THR 110 N 0.53 0.09 -0.67 2.61 -4.23 -1.26 -0.65 115.64 112.06 3gbp s THR 110 Ca 0.00 -1.65 -0.24 0.00 -1.18 0.00 0.00 61.69 58.63 3gbp s THR 110 Cb 0.00 -1.92 0.06 0.00 1.34 0.00 0.00 72.50 71.98 3gbp s THR 110 CO 0.00 -0.40 1.05 -0.62 -0.54 0.00 0.00 174.62 174.10 3gbp s ASP 111 N -3.00 6.19 0.29 3.99 2.15 -1.26 -4.86 116.67 120.16 3gbp s ASP 111 Ca 0.20 -0.78 0.03 0.00 0.43 0.00 0.00 52.55 52.43 3gbp s ASP 111 Cb 0.05 -2.46 0.71 0.00 -0.30 0.00 0.00 42.92 40.93 3gbp s ASP 111 CO 0.00 -1.53 1.69 0.28 -0.17 0.00 0.00 175.17 175.44 3gbp h SER 112 N 9.67 0.26 -0.85 -0.34 0.02 -1.96 -1.45 113.55 118.89 3gbp h SER 112 Ca -0.28 0.16 0.22 0.00 -0.84 0.00 0.00 61.79 61.04 3gbp h SER 112 Cb 1.07 0.16 -0.13 0.00 0.14 0.00 0.00 62.40 63.63 3gbp h SER 112 CO 1.20 -0.03 0.26 0.11 -1.14 0.00 0.00 176.83 177.23 3gbp h LYS 113 N 0.36 0.26 -0.14 3.45 1.57 -1.90 -1.77 116.57 118.40 3gbp h LYS 113 Ca 0.55 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 59.25 3gbp h LYS 113 Cb 1.05 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 3gbp h LYS 113 CO -0.55 0.17 -0.22 1.49 -0.57 0.00 0.00 179.45 179.78 3gbp h GLU 114 N 0.26 0.24 -0.35 3.15 4.81 -1.65 -1.34 114.58 119.70 3gbp h GLU 114 Ca 0.52 -0.07 -0.16 0.00 -0.13 0.00 0.00 59.36 59.52 3gbp h GLU 114 Cb 1.01 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 3gbp h GLU 114 CO -0.60 0.46 -0.41 0.66 -0.73 0.00 0.00 179.01 178.39 3gbp h SER 115 N 0.22 0.92 0.02 1.04 4.64 -1.44 -1.15 113.55 117.81 3gbp h SER 115 Ca 0.04 -0.43 -0.00 0.00 -0.47 0.00 0.00 61.79 60.93 3gbp h SER 115 Cb 0.52 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3gbp h SER 115 CO 0.03 1.20 -0.01 1.23 -0.87 0.00 0.00 176.83 178.41 3gbp h GLY 116 N 0.83 -0.03 0.73 -0.77 0.00 -1.58 0.56 103.07 102.81 3gbp h GLY 116 Ca 0.05 0.01 0.02 0.00 0.00 0.00 0.00 47.33 47.41 3gbp h GLY 116 CO 0.09 -0.01 -0.11 -2.08 0.00 0.00 0.00 176.54 174.43 3gbp h VAL 117 N -0.08 0.72 -0.97 4.60 2.07 -1.14 -0.71 116.25 120.73 3gbp h VAL 117 Ca -0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 3gbp h VAL 117 Cb 0.07 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 30.50 3gbp h VAL 117 CO 0.01 0.00 0.64 0.40 0.02 0.00 0.00 177.57 178.63 3gbp h ILE 118 N -0.20 1.18 -0.53 4.57 2.04 -1.10 -0.60 117.51 122.87 3gbp h ILE 118 Ca 0.04 -0.43 -0.08 0.00 1.00 0.00 0.00 64.86 65.39 3gbp h ILE 118 Cb 0.25 -0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.13 3gbp h ILE 118 CO -0.11 0.23 0.02 -0.61 0.00 0.00 0.00 178.15 177.68 3gbp h GLN 119 N 1.25 0.89 -0.52 2.37 4.15 -0.59 -0.13 115.11 122.53 3gbp h GLN 119 Ca 0.38 -0.24 -0.11 0.00 0.77 0.00 0.00 58.65 59.44 3gbp h GLN 119 Cb -0.03 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.54 3gbp h GLN 119 CO -0.11 0.87 -0.12 0.78 -1.93 0.00 0.00 178.83 178.32 3gbp h GLY 120 N 0.99 1.06 1.96 2.39 0.00 -0.46 -2.26 103.07 106.74 3gbp h GLY 120 Ca 0.16 -0.85 -0.08 0.00 0.00 0.00 0.00 47.33 46.55 3gbp h GLY 120 CO 0.02 0.78 -0.37 -0.55 0.00 0.00 0.00 176.54 176.42 3gbp h ASP 121 N 0.87 0.05 -0.17 0.19 3.45 -0.59 -0.70 116.42 119.52 3gbp h ASP 121 Ca 0.14 -0.02 -0.03 0.00 0.43 0.00 0.00 57.03 57.55 3gbp h ASP 121 Cb 0.67 -0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 39.42 3gbp h ASP 121 CO 0.05 0.42 0.01 -0.07 -1.57 0.00 0.00 179.24 178.08 3gbp h LEU 122 N 0.04 0.29 -0.04 1.55 3.38 -0.69 -1.91 115.31 117.94 3gbp h LEU 122 Ca 0.00 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 3gbp h LEU 122 Cb 0.68 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 3gbp h LEU 122 CO 0.05 0.51 0.02 0.40 0.09 0.00 0.00 178.44 179.51 3gbp h ILE 123 N 0.05 1.09 -0.22 1.22 2.04 -1.32 -1.70 117.51 118.67 3gbp h ILE 123 Ca 0.05 -0.26 0.05 0.00 1.00 0.00 0.00 64.86 65.70 3gbp h ILE 123 Cb 0.36 1.19 -0.05 0.00 -0.74 0.00 0.00 36.82 37.58 3gbp h ILE 123 CO 0.01 0.07 -0.12 0.00 0.00 0.00 0.00 178.15 178.11 3gbp h ALA 124 N 0.91 0.06 -0.55 1.87 0.00 -1.16 0.20 119.26 120.58 3gbp h ALA 124 Ca 0.01 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.08 3gbp h ALA 124 Cb 0.10 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 3gbp h ALA 124 CO -0.00 -0.54 0.23 -0.22 0.00 0.00 0.00 179.25 178.71 3gbp h LYS 125 N -0.10 0.42 0.00 0.00 3.64 -1.14 -2.24 116.57 117.13 3gbp h LYS 125 Ca 0.12 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.37 3gbp h LYS 125 Cb 0.29 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 3gbp h LYS 125 CO -0.29 0.27 -0.62 0.45 -2.27 0.00 0.00 179.45 176.99 3gbp h HIS 126 N 0.43 0.00 -0.05 1.91 3.86 -0.88 -2.62 115.15 117.80 3gbp h HIS 126 Ca 0.26 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.46 3gbp h HIS 126 Cb 0.27 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.73 3gbp h HIS 126 CO -0.14 0.47 -0.02 2.35 0.86 0.00 0.00 177.93 181.44 3gbp h TRP 127 N 0.00 0.11 -0.05 2.45 2.91 -0.47 -0.77 115.95 120.13 3gbp h TRP 127 Ca -0.03 -0.03 0.03 0.00 1.13 0.00 0.00 58.89 59.99 3gbp h TRP 127 Cb 1.38 -0.03 -0.03 0.00 -0.51 0.00 0.00 29.16 29.97 3gbp h TRP 127 CO 0.00 0.48 -0.14 1.96 -1.03 0.00 0.00 178.44 179.71 3gbp h GLN 128 N -0.29 -0.20 0.00 2.65 1.08 -1.40 -1.94 115.11 115.01 3gbp h GLN 128 Ca 0.01 0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.21 3gbp h GLN 128 Cb 0.45 0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.92 3gbp h GLN 128 CO 0.01 -0.14 -0.08 0.00 -0.95 0.00 0.00 178.83 177.67 3gbp h ALA 129 N 0.78 1.62 -3.14 3.87 0.00 -1.47 -3.34 119.26 117.57 3gbp h ALA 129 Ca 0.06 -0.08 -0.62 0.00 0.00 0.00 0.00 54.91 54.27 3gbp h ALA 129 Cb 0.30 -0.01 -0.42 0.00 0.00 0.00 0.00 17.79 17.66 3gbp h ALA 129 CO -0.17 0.11 -0.58 -0.80 0.00 0.00 0.00 179.25 177.80 3gbp s ASN 130 N -6.60 4.74 0.52 0.00 0.01 -0.30 -4.92 114.94 108.39 3gbp s ASN 130 Ca -0.04 -3.69 0.19 0.00 -0.71 0.00 0.00 52.86 48.61 3gbp s ASN 130 Cb 0.15 -1.64 1.36 0.00 0.41 0.00 0.00 41.25 41.53 3gbp s ASN 130 CO 0.63 -0.11 2.14 1.56 -1.51 0.00 0.00 177.10 179.81 3gbp h GLN 131 N 5.62 0.00 0.00 -0.60 4.20 -1.70 -1.55 115.11 121.09 3gbp h GLN 131 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 3gbp h GLN 131 Cb 0.78 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.56 3gbp h GLN 131 CO 0.71 0.04 0.00 0.41 -0.67 0.00 0.00 178.83 179.32 3gbp n GLY 132 N -1.36 -1.25 0.22 3.46 0.00 -1.26 -2.67 105.19 102.32 3gbp n GLY 132 Ca -0.03 0.04 0.15 0.00 0.00 0.00 0.00 46.02 46.19 3gbp n GLY 132 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3gbp h TRP 133 N 0.00 0.00 -1.48 1.61 6.55 -1.64 -3.31 115.95 117.68 3gbp h TRP 133 Ca 0.00 0.00 -0.72 0.00 0.95 0.00 0.00 58.89 59.12 3gbp h TRP 133 Cb 0.37 0.00 -0.13 0.00 -0.86 0.00 0.00 29.16 28.53 3gbp h TRP 133 CO 0.00 0.00 1.86 -3.47 -1.05 0.00 0.00 178.44 175.78 3gbp n ASP 134 N -2.63 5.01 -0.14 -3.49 2.03 -1.09 -4.83 116.55 111.41 3gbp n ASP 134 Ca 0.00 -2.97 -0.03 0.00 0.52 0.00 0.00 54.79 52.31 3gbp n ASP 134 Cb 0.19 -1.62 0.04 0.00 -0.72 0.00 0.00 41.12 39.01 3gbp n ASP 134 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3gbp h LEU 135 N 10.40 -0.18 -2.00 -2.67 3.38 -1.88 0.51 115.31 122.87 3gbp h LEU 135 Ca 0.39 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.46 3gbp h LEU 135 Cb 0.82 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3gbp h LEU 135 CO 1.41 -0.05 0.00 -0.46 0.09 0.00 0.00 178.44 179.43 3gbp n ASN 136 N -5.21 2.95 -4.18 -0.43 6.94 -1.26 -4.96 115.26 109.11 3gbp n ASN 136 Ca 0.04 -2.33 -0.36 0.00 -0.02 0.00 0.00 54.58 51.91 3gbp n ASN 136 Cb 0.24 -0.50 -0.05 0.00 -2.36 0.00 0.00 39.78 37.10 3gbp n ASN 136 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3gbp n LYS 137 N 0.37 -1.84 -0.20 -3.83 5.02 0.17 -4.85 118.16 113.00 3gbp n LYS 137 Ca 0.13 0.22 0.11 0.00 -2.02 0.00 0.00 58.31 56.75 3gbp n LYS 137 Cb 0.61 -4.85 0.21 0.00 -0.02 0.00 0.00 35.03 30.98 3gbp n LYS 137 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3gbp n ASP 138 N -2.42 3.39 0.00 4.39 5.75 -1.26 -4.96 116.55 121.44 3gbp n ASP 138 Ca 0.09 -1.96 0.00 0.00 -0.01 0.00 0.00 54.79 52.91 3gbp n ASP 138 Cb 0.47 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 3gbp n ASP 138 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gbp n GLY 139 N 1.37 1.81 3.82 6.12 0.00 -1.26 -5.00 105.19 112.05 3gbp n GLY 139 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 3gbp n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gbp s LYS 140 N -0.07 2.99 -0.22 1.61 1.02 -1.26 -4.56 119.74 119.24 3gbp s LYS 140 Ca 0.00 -0.78 -0.19 0.00 0.02 0.00 0.00 55.97 55.02 3gbp s LYS 140 Cb 0.00 -2.72 -0.03 0.00 -0.52 0.00 0.00 37.83 34.56 3gbp s LYS 140 CO 0.00 0.51 0.55 0.42 -0.92 0.00 0.00 175.35 175.91 3gbp s ILE 141 N -1.66 5.07 -0.28 2.17 1.01 0.36 -4.94 121.20 122.92 3gbp s ILE 141 Ca 0.31 0.99 -0.10 0.00 0.00 0.00 0.00 60.65 61.86 3gbp s ILE 141 Cb -0.11 -3.87 -0.03 0.00 0.01 0.00 0.00 42.46 38.46 3gbp s ILE 141 CO 0.24 0.12 0.14 -1.10 0.00 0.00 0.00 174.94 174.34 3gbp s GLN 142 N 1.98 3.74 0.27 2.79 1.11 -1.26 0.27 119.66 128.57 3gbp s GLN 142 Ca 0.24 -0.45 0.02 0.00 0.01 0.00 0.00 55.36 55.18 3gbp s GLN 142 Cb -0.16 -3.53 -0.05 0.00 -1.01 0.00 0.00 33.01 28.27 3gbp s GLN 142 CO 0.09 -0.23 0.12 1.52 0.01 0.00 0.00 175.29 176.80 3gbp s TYR 143 N 1.69 1.55 0.08 0.91 -0.85 -0.11 -1.00 117.35 119.60 3gbp s TYR 143 Ca 0.06 -1.26 0.08 0.00 -0.52 0.00 0.00 57.07 55.43 3gbp s TYR 143 Cb -0.16 -0.88 -0.03 0.00 0.38 0.00 0.00 41.96 41.28 3gbp s TYR 143 CO 0.08 -0.41 -0.20 0.14 -1.52 0.00 0.00 175.55 173.63 3gbp s VAL 144 N -3.71 1.65 -0.05 -3.49 -7.23 -0.81 -0.34 120.40 106.41 3gbp s VAL 144 Ca 0.37 -1.38 0.03 0.00 -1.81 0.00 0.00 61.98 59.19 3gbp s VAL 144 Cb 0.07 -1.47 0.00 0.00 0.56 0.00 0.00 36.38 35.54 3gbp s VAL 144 CO 0.15 0.04 -0.15 -0.22 -0.31 0.00 0.00 175.10 174.61 3gbp s LEU 145 N -1.59 1.80 -0.41 1.32 1.98 -0.12 -1.52 118.68 120.14 3gbp s LEU 145 Ca 0.06 -0.32 -0.09 0.00 -2.89 0.00 0.00 54.13 50.89 3gbp s LEU 145 Cb -0.09 -0.89 0.07 0.00 0.66 0.00 0.00 46.19 45.94 3gbp s LEU 145 CO 0.03 0.09 0.24 -0.76 -1.89 0.00 0.00 176.35 174.06 3gbp s LEU 146 N 0.34 5.06 0.23 -0.68 1.43 -0.64 -2.12 118.68 122.30 3gbp s LEU 146 Ca -0.09 -1.46 -0.11 0.00 -1.03 0.00 0.00 54.13 51.44 3gbp s LEU 146 Cb -0.13 -1.97 -0.07 0.00 0.03 0.00 0.00 46.19 44.04 3gbp s LEU 146 CO 0.03 -0.51 0.57 -0.75 0.23 0.00 0.00 176.35 175.92 3gbp s LYS 147 N 1.42 3.84 0.00 1.70 2.20 -0.87 -1.02 119.74 127.01 3gbp s LYS 147 Ca 0.03 0.34 0.00 0.00 -0.36 0.00 0.00 55.97 55.98 3gbp s LYS 147 Cb -0.22 -2.65 0.00 0.00 -1.51 0.00 0.00 37.83 33.44 3gbp s LYS 147 CO 0.02 0.32 0.00 0.41 -0.36 0.00 0.00 175.35 175.74 3gbp n GLY 148 N -0.06 0.50 3.69 5.54 0.00 -1.26 -1.31 105.19 112.28 3gbp n GLY 148 Ca 0.00 -1.39 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 3gbp n GLY 148 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gbp s GLU 149 N 0.00 4.30 0.16 1.61 2.02 -1.26 -4.08 118.70 121.45 3gbp s GLU 149 Ca 0.00 1.85 -0.32 0.00 0.02 0.00 0.00 54.97 56.53 3gbp s GLU 149 Cb 0.00 -3.58 -0.10 0.00 0.10 0.00 0.00 34.13 30.54 3gbp s GLU 149 CO 0.00 -0.54 1.66 -1.25 0.02 0.00 0.00 175.26 175.15 3gbp s PRO 150 N 2.40 4.18 0.00 0.39 0.04 -1.26 -1.15 135.00 139.60 3gbp s PRO 150 Ca 0.61 2.46 0.00 0.00 0.04 0.00 0.00 61.00 64.11 3gbp s PRO 150 Cb -0.29 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.01 3gbp s PRO 150 CO 0.24 -0.70 0.00 0.41 0.04 0.00 0.00 177.00 177.00 3gbp n GLY 151 N 3.91 3.18 3.71 0.56 0.00 -1.26 -5.04 105.19 110.25 3gbp n GLY 151 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3gbp n GLY 151 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3gbp s HIS 152 N -2.96 2.67 0.32 1.61 5.04 -0.30 -4.87 115.29 116.80 3gbp s HIS 152 Ca 0.00 0.23 0.06 0.00 -1.54 0.00 0.00 55.06 53.81 3gbp s HIS 152 Cb 0.00 -4.15 0.72 0.00 0.04 0.00 0.00 32.58 29.19 3gbp s HIS 152 CO 0.00 -4.49 1.84 -1.35 -2.34 0.00 0.00 174.74 168.40 3gbp h PRO 153 N 7.36 0.78 -0.40 2.88 0.11 -1.92 -1.38 132.00 139.44 3gbp h PRO 153 Ca -0.44 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 65.48 3gbp h PRO 153 Cb 1.21 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 3gbp h PRO 153 CO 0.95 0.52 -0.32 -0.44 -0.21 0.00 0.00 178.00 178.51 3gbp h ASP 154 N 0.81 0.93 -0.26 -2.05 3.45 -1.92 -1.67 116.42 115.70 3gbp h ASP 154 Ca 0.49 -0.39 -0.05 0.00 0.43 0.00 0.00 57.03 57.51 3gbp h ASP 154 Cb 0.70 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 39.20 3gbp h ASP 154 CO -0.26 1.16 -0.05 0.00 -1.57 0.00 0.00 179.24 178.52 3gbp h ALA 155 N 0.89 0.36 -0.30 3.45 0.00 -1.55 -0.96 119.26 121.15 3gbp h ALA 155 Ca 0.08 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.58 3gbp h ALA 155 Cb 0.89 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 3gbp h ALA 155 CO 0.08 0.14 -0.40 0.93 0.00 0.00 0.00 179.25 180.00 3gbp h GLU 156 N 0.24 0.80 -0.34 0.00 4.39 -1.34 -0.46 114.58 117.87 3gbp h GLU 156 Ca 0.07 -0.46 -0.14 0.00 0.34 0.00 0.00 59.36 59.17 3gbp h GLU 156 Cb 0.50 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 3gbp h GLU 156 CO 0.02 1.09 -0.34 0.00 -1.16 0.00 0.00 179.01 178.63 3gbp h ALA 157 N 0.70 0.77 -0.16 3.43 0.00 -1.22 -1.68 119.26 121.10 3gbp h ALA 157 Ca 0.03 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.42 3gbp h ALA 157 Cb 0.99 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3gbp h ALA 157 CO 0.09 0.65 -0.36 0.00 0.00 0.00 0.00 179.25 179.64 3gbp h ARG 158 N 0.64 0.34 -0.10 0.00 3.08 -1.06 0.84 114.38 118.12 3gbp h ARG 158 Ca 0.07 -0.15 -0.09 0.00 0.07 0.00 0.00 59.98 59.87 3gbp h ARG 158 Cb 0.87 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.92 3gbp h ARG 158 CO 0.08 0.66 -0.29 1.15 -1.07 0.00 0.00 179.97 180.49 3gbp h THR 159 N 0.29 1.39 -0.13 2.04 2.02 -0.87 -2.91 112.91 114.75 3gbp h THR 159 Ca 0.03 -1.62 -0.01 0.00 0.77 0.00 0.00 66.41 65.57 3gbp h THR 159 Cb 0.77 2.17 -0.01 0.00 -1.74 0.00 0.00 68.15 69.34 3gbp h THR 159 CO 0.06 0.47 0.02 0.74 0.37 0.00 0.00 175.52 177.19 3gbp h THR 160 N -0.06 1.21 0.00 3.16 2.02 -1.25 -3.35 112.91 114.64 3gbp h THR 160 Ca -0.01 -0.68 -0.02 0.00 0.77 0.00 0.00 66.41 66.48 3gbp h THR 160 Cb 0.91 1.42 -0.00 0.00 -1.74 0.00 0.00 68.15 68.74 3gbp h THR 160 CO 0.06 0.20 -0.52 1.88 0.37 0.00 0.00 175.52 177.51 3gbp h TYR 161 N -0.00 0.00 -0.51 3.16 -1.99 -0.88 -2.57 116.97 114.17 3gbp h TYR 161 Ca 0.04 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.73 3gbp h TYR 161 Cb 0.29 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.00 3gbp h TYR 161 CO 0.02 0.07 0.15 -0.39 -0.00 0.00 0.00 178.16 178.00 3gbp h VAL 162 N 0.00 1.24 -0.06 -2.88 -1.51 -1.56 -1.20 116.25 110.28 3gbp h VAL 162 Ca -0.01 -0.81 -0.09 0.00 -1.23 0.00 0.00 66.70 64.57 3gbp h VAL 162 Cb 1.06 0.79 0.00 0.00 -2.13 0.00 0.00 31.29 31.01 3gbp h VAL 162 CO 0.01 0.30 -0.30 0.58 -1.23 0.00 0.00 177.57 176.92 3gbp h VAL 163 N 0.71 1.44 -0.75 7.19 2.07 -1.70 -2.66 116.25 122.56 3gbp h VAL 163 Ca 0.16 -1.75 0.10 0.00 0.82 0.00 0.00 66.70 66.04 3gbp h VAL 163 Cb 0.30 2.39 -0.08 0.00 -1.52 0.00 0.00 31.29 32.39 3gbp h VAL 163 CO -0.00 0.50 0.38 0.11 0.02 0.00 0.00 177.57 178.57 3gbp h LYS 164 N -0.22 0.61 -0.27 1.57 1.57 -1.47 -0.51 116.57 117.86 3gbp h LYS 164 Ca -0.02 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 3gbp h LYS 164 Cb 0.97 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.13 3gbp h LYS 164 CO 0.06 0.40 0.00 1.49 -0.57 0.00 0.00 179.45 180.84 3gbp h GLU 165 N 0.62 0.47 -0.59 3.15 4.57 -1.21 -0.16 114.58 121.45 3gbp h GLU 165 Ca 0.37 -0.15 0.03 0.00 -1.18 0.00 0.00 59.36 58.44 3gbp h GLU 165 Cb 0.41 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.92 3gbp h GLU 165 CO -0.28 0.63 0.34 -0.07 -1.18 0.00 0.00 179.01 178.46 3gbp h LEU 166 N 0.26 0.54 -0.57 1.64 3.38 -1.15 0.24 115.31 119.65 3gbp h LEU 166 Ca 0.08 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 3gbp h LEU 166 Cb 0.42 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 3gbp h LEU 166 CO 0.01 0.38 0.25 0.78 0.09 0.00 0.00 178.44 179.95 3gbp h ASN 167 N 0.67 0.76 -0.25 -0.43 -0.26 -0.81 0.14 115.58 115.40 3gbp h ASN 167 Ca 0.24 -0.15 -0.04 0.00 -0.56 0.00 0.00 56.30 55.80 3gbp h ASN 167 Cb 0.07 -0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 37.11 3gbp h ASN 167 CO -0.12 0.70 0.05 0.44 -1.06 0.00 0.00 177.43 177.44 3gbp h ASP 168 N 0.78 0.47 -0.10 5.81 5.19 -0.62 0.45 116.42 128.39 3gbp h ASP 168 Ca 0.19 -0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 3gbp h ASP 168 Cb 0.15 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.54 3gbp h ASP 168 CO -0.02 0.50 0.00 0.29 -3.12 0.00 0.00 179.24 176.89 3gbp n LYS 169 N -4.32 1.50 -0.19 3.56 4.76 0.80 -4.86 118.16 119.41 3gbp n LYS 169 Ca 0.02 -0.48 0.00 0.00 -2.87 0.00 0.00 58.31 54.98 3gbp n LYS 169 Cb 0.21 -1.43 0.00 0.00 -1.84 0.00 0.00 35.03 31.97 3gbp n LYS 169 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gbp n GLY 170 N 0.32 0.92 3.49 0.72 0.00 0.15 -5.03 105.19 105.76 3gbp n GLY 170 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3gbp n GLY 170 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gbp s ILE 171 N -2.57 5.16 0.47 -0.61 1.01 -0.17 -4.96 121.20 119.53 3gbp s ILE 171 Ca 0.00 -0.38 -0.19 0.00 0.00 0.00 0.00 60.65 60.08 3gbp s ILE 171 Cb 0.00 -3.71 -0.09 0.00 0.01 0.00 0.00 42.46 38.67 3gbp s ILE 171 CO 0.00 -0.08 0.98 -1.10 0.00 0.00 0.00 174.94 174.74 3gbp s GLN 172 N 1.69 4.02 0.07 2.79 -0.21 -1.26 -3.28 119.66 123.47 3gbp s GLN 172 Ca 0.05 1.12 0.02 0.00 0.02 0.00 0.00 55.36 56.57 3gbp s GLN 172 Cb -0.18 -2.14 -0.03 0.00 1.00 0.00 0.00 33.01 31.66 3gbp s GLN 172 CO 0.10 -0.22 -0.07 0.95 -2.12 0.00 0.00 175.29 173.92 3gbp s THR 173 N -2.30 0.64 -0.04 -0.19 -4.23 -1.26 -0.49 115.64 107.77 3gbp s THR 173 Ca 0.62 -1.51 -0.02 0.00 -1.18 0.00 0.00 61.69 59.61 3gbp s THR 173 Cb -0.11 -1.15 0.03 0.00 1.34 0.00 0.00 72.50 72.61 3gbp s THR 173 CO 0.21 -0.61 0.06 -0.70 -0.54 0.00 0.00 174.62 173.03 3gbp s GLU 174 N -2.68 -0.06 -0.31 3.99 2.12 0.14 -4.85 118.70 117.05 3gbp s GLU 174 Ca 0.01 0.37 -0.21 0.00 0.36 0.00 0.00 54.97 55.50 3gbp s GLU 174 Cb -0.03 -0.52 -0.01 0.00 0.26 0.00 0.00 34.13 33.84 3gbp s GLU 174 CO -0.02 -0.33 0.67 -1.14 -0.54 0.00 0.00 175.26 173.91 3gbp s GLN 175 N 2.14 3.91 0.01 4.30 0.74 -1.26 -0.94 119.66 128.56 3gbp s GLN 175 Ca 0.05 0.37 -0.06 0.00 0.05 0.00 0.00 55.36 55.77 3gbp s GLN 175 Cb -0.12 -3.73 -0.29 0.00 1.10 0.00 0.00 33.01 29.97 3gbp s GLN 175 CO -0.03 -0.60 0.89 -0.07 -0.55 0.00 0.00 175.29 174.93 3gbp h LEU 176 N 9.24 0.48 -7.00 3.68 3.38 -1.04 -3.47 115.31 120.57 3gbp h LEU 176 Ca -0.26 -0.62 0.11 0.00 0.09 0.00 0.00 57.88 57.19 3gbp h LEU 176 Cb 1.11 -0.16 -0.24 0.00 0.09 0.00 0.00 40.66 41.47 3gbp h LEU 176 CO 0.82 1.51 0.61 0.00 0.09 0.00 0.00 178.44 181.47 3gbp s ALA 177 N -2.62 -1.97 -0.06 1.53 0.00 -1.24 -5.04 121.76 112.37 3gbp s ALA 177 Ca -0.09 1.65 -0.05 0.00 0.00 0.00 0.00 51.96 53.46 3gbp s ALA 177 Cb 0.06 -0.87 0.02 0.00 0.00 0.00 0.00 23.12 22.33 3gbp s ALA 177 CO 0.87 -0.29 0.16 -1.17 0.00 0.00 0.00 175.76 175.33 3gbp s LEU 178 N -1.03 1.25 0.05 0.00 0.20 -1.26 -0.94 118.68 116.95 3gbp s LEU 178 Ca 0.00 0.33 -0.27 0.00 0.69 0.00 0.00 54.13 54.89 3gbp s LEU 178 Cb -0.01 0.54 0.09 0.00 -0.43 0.00 0.00 46.19 46.38 3gbp s LEU 178 CO -0.00 -0.07 0.74 -0.62 -0.29 0.00 0.00 176.35 176.10 3gbp s ASP 179 N 0.28 -0.50 0.16 3.68 2.15 -0.90 -4.97 116.67 116.57 3gbp s ASP 179 Ca -0.02 0.14 -0.26 0.00 0.43 0.00 0.00 52.55 52.85 3gbp s ASP 179 Cb -0.03 0.50 -0.08 0.00 -0.30 0.00 0.00 42.92 43.01 3gbp s ASP 179 CO -0.01 -0.75 0.78 0.42 -0.17 0.00 0.00 175.17 175.44 3gbp s THR 180 N -2.96 4.38 -0.06 1.71 -4.23 -1.26 -2.04 115.64 111.18 3gbp s THR 180 Ca 0.00 1.72 0.09 0.00 -1.18 0.00 0.00 61.69 62.32 3gbp s THR 180 Cb -0.01 -4.15 0.13 0.00 1.34 0.00 0.00 72.50 69.82 3gbp s THR 180 CO -0.07 0.51 1.04 0.00 -0.54 0.00 0.00 174.62 175.56 3gbp n ALA 181 N 1.69 2.06 -3.92 3.99 0.00 -0.43 -4.89 120.51 119.02 3gbp n ALA 181 Ca -0.05 -1.72 -0.25 0.00 0.00 0.00 0.00 53.44 51.42 3gbp n ALA 181 Cb 0.49 -0.21 -0.01 0.00 0.00 0.00 0.00 19.45 19.72 3gbp n ALA 181 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3gbp n MET 182 N -0.87 -3.59 -1.04 0.00 2.81 -1.19 -1.27 117.12 111.98 3gbp n MET 182 Ca 0.07 0.44 -0.01 0.00 -1.81 0.00 0.00 57.70 56.39 3gbp n MET 182 Cb 0.47 -4.67 -0.01 0.00 -0.71 0.00 0.00 33.22 28.31 3gbp n MET 182 CO 0.00 0.00 0.00 0.91 1.51 0.00 0.00 175.97 178.39 3gbp n TRP 183 N -4.38 0.00 -4.34 2.03 5.03 -1.26 -4.77 117.44 109.74 3gbp n TRP 183 Ca -0.29 0.00 -0.34 0.00 3.03 0.00 0.00 57.50 59.90 3gbp n TRP 183 Cb 0.68 -1.75 -0.11 0.00 -1.03 0.00 0.00 31.31 29.10 3gbp n TRP 183 CO 0.00 0.00 0.00 0.34 -0.03 0.00 0.00 177.69 178.00 3gbp s ASP 184 N -2.06 5.05 0.12 -0.99 2.15 -0.40 -4.34 116.67 116.20 3gbp s ASP 184 Ca 0.00 -0.01 -0.28 0.00 0.43 0.00 0.00 52.55 52.69 3gbp s ASP 184 Cb 0.00 -1.68 -0.07 0.00 -0.30 0.00 0.00 42.92 40.87 3gbp s ASP 184 CO 0.00 0.24 1.62 0.74 -0.17 0.00 0.00 175.17 177.60 3gbp h THR 185 N 4.76 0.31 -0.51 1.71 2.02 -1.86 -1.98 112.91 117.36 3gbp h THR 185 Ca -0.39 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.75 3gbp h THR 185 Cb 1.19 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 3gbp h THR 185 CO 0.61 0.00 0.14 0.00 0.37 0.00 0.00 175.52 176.64 3gbp h ALA 186 N 0.17 1.28 -0.07 6.16 0.00 -1.94 0.06 119.26 124.92 3gbp h ALA 186 Ca 0.04 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.59 3gbp h ALA 186 Cb 0.57 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3gbp h ALA 186 CO -0.22 0.51 -0.71 1.96 0.00 0.00 0.00 179.25 180.79 3gbp h GLN 187 N 0.75 0.35 -0.23 0.00 4.20 -1.81 -2.28 115.11 116.08 3gbp h GLN 187 Ca 0.17 -0.28 -0.18 0.00 0.06 0.00 0.00 58.65 58.43 3gbp h GLN 187 Cb 0.26 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 3gbp h GLN 187 CO -0.00 0.92 -0.56 0.00 -0.67 0.00 0.00 178.83 178.51 3gbp h ALA 188 N 1.00 0.57 -0.53 3.87 0.00 -0.96 -2.34 119.26 120.87 3gbp h ALA 188 Ca -0.02 -0.52 0.08 0.00 0.00 0.00 0.00 54.91 54.44 3gbp h ALA 188 Cb 1.27 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 3gbp h ALA 188 CO 0.12 0.69 0.18 -0.22 0.00 0.00 0.00 179.25 180.02 3gbp h LYS 189 N 0.55 0.35 -0.62 0.00 3.64 -0.79 0.08 116.57 119.78 3gbp h LYS 189 Ca 0.01 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3gbp h LYS 189 Cb 1.15 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.86 3gbp h LYS 189 CO 0.12 0.23 0.40 -0.44 -2.27 0.00 0.00 179.45 177.49 3gbp h ASP 190 N 0.36 0.71 -0.33 4.20 3.45 -1.34 -0.67 116.42 122.80 3gbp h ASP 190 Ca 0.26 -0.02 -0.09 0.00 0.43 0.00 0.00 57.03 57.60 3gbp h ASP 190 Cb 0.29 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 38.88 3gbp h ASP 190 CO -0.27 0.52 -0.16 0.50 -1.57 0.00 0.00 179.24 178.26 3gbp h LYS 191 N 0.84 0.69 -0.23 3.56 1.63 -0.95 -1.25 116.57 120.85 3gbp h LYS 191 Ca 0.23 -0.30 -0.03 0.00 -0.85 0.00 0.00 60.65 59.70 3gbp h LYS 191 Cb -0.09 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.52 3gbp h LYS 191 CO -0.05 0.90 0.03 1.98 -3.45 0.00 0.00 179.45 178.86 3gbp h MET 192 N 0.45 0.38 -0.59 1.90 4.05 -0.83 -1.27 114.93 119.03 3gbp h MET 192 Ca 0.07 -0.11 0.12 0.00 -0.28 0.00 0.00 59.70 59.51 3gbp h MET 192 Cb 0.70 -0.04 -0.10 0.00 -0.80 0.00 0.00 31.60 31.35 3gbp h MET 192 CO 0.05 0.53 -0.00 0.22 0.23 0.00 0.00 176.91 177.93 3gbp h ASP 193 N 0.18 -0.26 -0.98 1.39 -0.00 -1.08 0.72 116.42 116.38 3gbp h ASP 193 Ca 0.07 0.15 0.01 0.00 -0.00 0.00 0.00 57.03 57.26 3gbp h ASP 193 Cb 0.33 0.26 -0.05 0.00 -0.00 0.00 0.00 39.33 39.87 3gbp h ASP 193 CO 0.01 -0.11 0.65 0.00 -0.00 0.00 0.00 179.24 179.79 3gbp h ALA 194 N 1.54 1.24 -0.41 -0.78 0.00 -0.96 0.13 119.26 120.01 3gbp h ALA 194 Ca 0.31 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 3gbp h ALA 194 Cb 0.49 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3gbp h ALA 194 CO -0.50 0.63 -0.23 -1.49 0.00 0.00 0.00 179.25 177.66 3gbp h TRP 195 N 1.32 0.95 0.00 0.00 6.55 0.03 -2.18 115.95 122.62 3gbp h TRP 195 Ca 0.36 -0.22 0.00 0.00 0.95 0.00 0.00 58.89 59.98 3gbp h TRP 195 Cb -0.15 -0.22 0.00 0.00 -0.86 0.00 0.00 29.16 27.93 3gbp h TRP 195 CO -0.00 0.97 0.00 1.28 -1.05 0.00 0.00 178.44 179.64 3gbp n LEU 196 N -4.11 0.10 -0.73 -4.49 4.77 0.11 -2.20 117.00 110.44 3gbp n LEU 196 Ca 0.00 0.52 0.08 0.00 -0.03 0.00 0.00 56.01 56.58 3gbp n LEU 196 Cb 0.44 -0.50 0.11 0.00 -2.33 0.00 0.00 43.42 41.15 3gbp n LEU 196 CO 0.45 -0.20 0.56 -1.20 -1.33 0.00 0.00 177.39 175.67 3gbp n SER 197 N -1.60 2.64 -3.71 -1.43 7.64 -0.00 -4.79 113.62 112.36 3gbp n SER 197 Ca 0.04 -1.77 -0.14 0.00 1.01 0.00 0.00 58.87 58.02 3gbp n SER 197 Cb 0.24 -0.10 0.02 0.00 -1.01 0.00 0.00 64.21 63.36 3gbp n SER 197 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gbp n GLY 198 N 0.93 2.46 0.38 0.23 0.00 -0.89 -5.02 105.19 103.27 3gbp n GLY 198 Ca 0.12 -2.22 0.20 0.00 0.00 0.00 0.00 46.02 44.11 3gbp n GLY 198 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3gbp h PRO 199 N 0.00 0.00 -0.44 1.61 0.11 -1.91 -3.01 132.00 128.37 3gbp h PRO 199 Ca -0.19 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.60 3gbp h PRO 199 Cb 0.75 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 31.60 3gbp h PRO 199 CO 0.28 0.00 -0.71 0.27 -0.21 0.00 0.00 178.00 177.63 3gbp n ASN 200 N -3.80 3.50 -0.14 -2.05 2.04 -1.26 -4.68 115.26 108.87 3gbp n ASN 200 Ca 0.07 -3.71 0.06 0.00 -0.44 0.00 0.00 54.58 50.55 3gbp n ASN 200 Cb 0.56 -0.42 0.36 0.00 -2.53 0.00 0.00 39.78 37.76 3gbp n ASN 200 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3gbp h ALA 201 N 1.72 1.70 0.00 -2.53 0.00 -1.62 -2.25 119.26 116.27 3gbp h ALA 201 Ca 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3gbp h ALA 201 Cb 1.33 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3gbp h ALA 201 CO 0.44 0.21 0.00 0.27 0.00 0.00 0.00 179.25 180.17 3gbp n ASN 202 N -4.47 0.00 -0.00 0.00 6.94 -1.26 -3.52 115.26 112.95 3gbp n ASN 202 Ca 0.09 -0.24 0.06 0.00 -0.02 0.00 0.00 54.58 54.47 3gbp n ASN 202 Cb 0.18 -0.25 -0.07 0.00 -2.36 0.00 0.00 39.78 37.28 3gbp n ASN 202 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3gbp n LYS 203 N -1.25 2.93 -2.22 -3.83 5.02 -0.85 -4.95 118.16 113.00 3gbp n LYS 203 Ca 0.15 -0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 56.02 3gbp n LYS 203 Cb 0.23 -1.08 -0.03 0.00 -0.02 0.00 0.00 35.03 34.13 3gbp n LYS 203 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3gbp s ILE 204 N -2.16 3.78 -0.09 -0.18 1.01 -1.20 -4.74 121.20 117.62 3gbp s ILE 204 Ca 0.04 1.10 0.09 0.00 0.00 0.00 0.00 60.65 61.89 3gbp s ILE 204 Cb 0.09 -3.71 -0.13 0.00 0.01 0.00 0.00 42.46 38.72 3gbp s ILE 204 CO 0.50 -0.03 0.05 -0.62 0.00 0.00 0.00 174.94 174.84 3gbp n GLU 205 N 5.83 2.23 -3.82 2.79 1.02 -0.17 -5.02 120.64 123.50 3gbp n GLU 205 Ca 0.14 -0.01 -0.14 0.00 -0.02 0.00 0.00 57.16 57.13 3gbp n GLU 205 Cb 0.44 -1.26 -0.15 0.00 -0.02 0.00 0.00 31.44 30.45 3gbp n GLU 205 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3gbp s VAL 206 N -2.28 -0.03 -0.28 2.62 1.01 -1.11 -4.20 120.40 116.13 3gbp s VAL 206 Ca -0.05 0.12 -0.08 0.00 0.00 0.00 0.00 61.98 61.97 3gbp s VAL 206 Cb 0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 36.38 36.35 3gbp s VAL 206 CO 0.41 0.05 0.10 -0.69 0.00 0.00 0.00 175.10 174.98 3gbp s VAL 207 N 0.60 4.36 -0.18 2.92 1.01 -0.47 -1.92 120.40 126.71 3gbp s VAL 207 Ca -0.05 -0.38 -0.04 0.00 0.00 0.00 0.00 61.98 61.51 3gbp s VAL 207 Cb -0.07 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 3gbp s VAL 207 CO -0.02 0.18 -0.02 -0.63 0.00 0.00 0.00 175.10 174.61 3gbp s ILE 208 N 1.59 3.94 0.05 2.22 1.01 -0.58 -1.32 121.20 128.11 3gbp s ILE 208 Ca 0.05 -0.33 0.08 0.00 0.00 0.00 0.00 60.65 60.45 3gbp s ILE 208 Cb -0.16 -2.75 -0.03 0.00 0.01 0.00 0.00 42.46 39.53 3gbp s ILE 208 CO 0.04 0.46 -0.22 0.00 0.00 0.00 0.00 174.94 175.22 3gbp s ALA 209 N 0.67 1.88 -0.07 9.38 0.00 -0.53 -1.63 121.76 131.47 3gbp s ALA 209 Ca -0.01 -1.13 0.31 0.00 0.00 0.00 0.00 51.96 51.12 3gbp s ALA 209 Cb -0.14 -0.36 1.26 0.00 0.00 0.00 0.00 23.12 23.88 3gbp s ALA 209 CO 0.02 0.42 1.91 -0.91 0.00 0.00 0.00 175.76 177.20 3gbp h ASN 210 N 4.75 0.00 -5.35 0.00 -0.26 -1.38 -3.37 115.58 109.97 3gbp h ASN 210 Ca -0.44 0.00 -0.17 0.00 -0.56 0.00 0.00 56.30 55.13 3gbp h ASN 210 Cb 1.16 0.00 -0.07 0.00 -1.06 0.00 0.00 38.32 38.35 3gbp h ASN 210 CO 0.43 0.00 -0.08 0.54 -1.06 0.00 0.00 177.43 177.26 3gbp s ASN 211 N -5.23 0.47 0.09 5.81 4.22 -1.26 -4.31 114.94 114.73 3gbp s ASN 211 Ca 0.02 -1.27 -0.04 0.00 -2.14 0.00 0.00 52.86 49.42 3gbp s ASN 211 Cb 0.09 0.68 -0.23 0.00 1.28 0.00 0.00 41.25 43.07 3gbp s ASN 211 CO 0.49 -1.33 1.18 0.44 -2.04 0.00 0.00 177.10 175.85 3gbp h ASP 212 N 2.13 0.45 -0.34 3.54 3.32 -1.46 -2.77 116.42 121.30 3gbp h ASP 212 Ca -0.28 -0.45 0.03 0.00 0.02 0.00 0.00 57.03 56.35 3gbp h ASP 212 Cb 1.24 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.62 3gbp h ASP 212 CO 0.38 1.32 0.14 0.00 -1.72 0.00 0.00 179.24 179.36 3gbp h ALA 213 N 0.62 0.40 -0.61 3.45 0.00 -1.87 0.20 119.26 121.46 3gbp h ALA 213 Ca -0.12 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3gbp h ALA 213 Cb 1.87 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.62 3gbp h ALA 213 CO 0.19 -0.25 0.23 0.52 0.00 0.00 0.00 179.25 179.94 3gbp h MET 214 N 0.30 0.92 -0.56 0.00 2.86 -1.75 -2.56 114.93 114.13 3gbp h MET 214 Ca 0.15 -0.18 0.07 0.00 -2.06 0.00 0.00 59.70 57.68 3gbp h MET 214 Cb 0.09 -0.14 -0.06 0.00 0.06 0.00 0.00 31.60 31.55 3gbp h MET 214 CO -0.13 0.80 0.25 0.00 1.06 0.00 0.00 176.91 178.88 3gbp h ALA 215 N 1.08 0.72 -0.00 6.32 0.00 -1.12 0.69 119.26 126.95 3gbp h ALA 215 Ca 0.20 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 3gbp h ALA 215 Cb 0.23 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3gbp h ALA 215 CO -0.01 -0.14 -0.18 0.52 0.00 0.00 0.00 179.25 179.44 3gbp h MET 216 N 0.46 0.00 -0.23 0.00 2.86 -0.75 0.14 114.93 117.40 3gbp h MET 216 Ca 0.27 -0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.82 3gbp h MET 216 Cb 0.26 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.91 3gbp h MET 216 CO -0.23 0.18 -0.21 0.78 1.06 0.00 0.00 176.91 178.49 3gbp h GLY 217 N 0.54 0.60 1.22 8.32 0.00 -0.54 -2.60 103.07 110.61 3gbp h GLY 217 Ca -0.00 -0.61 -0.10 0.00 0.00 0.00 0.00 47.33 46.62 3gbp h GLY 217 CO 0.02 0.55 -0.11 0.00 0.00 0.00 0.00 176.54 177.00 3gbp h ALA 218 N 0.67 0.87 -0.51 3.60 0.00 -0.09 -2.16 119.26 121.65 3gbp h ALA 218 Ca 0.04 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.65 3gbp h ALA 218 Cb 0.76 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 3gbp h ALA 218 CO 0.05 0.64 0.34 0.28 0.00 0.00 0.00 179.25 180.57 3gbp h VAL 219 N 0.82 1.03 0.00 0.00 2.07 -0.66 0.11 116.25 119.62 3gbp h VAL 219 Ca 0.13 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3gbp h VAL 219 Cb 0.64 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3gbp h VAL 219 CO 0.04 0.10 -0.99 -1.84 0.02 0.00 0.00 177.57 174.90 3gbp n GLU 220 N -4.47 0.55 -0.06 1.57 0.28 -0.94 -1.49 120.64 116.07 3gbp n GLU 220 Ca 0.06 0.10 -0.16 0.00 -0.16 0.00 0.00 57.16 57.01 3gbp n GLU 220 Cb 0.18 -1.79 -0.05 0.00 1.43 0.00 0.00 31.44 31.21 3gbp n GLU 220 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3gbp h ALA 221 N 2.09 0.40 0.02 -1.84 0.00 -0.81 -2.18 119.26 116.94 3gbp h ALA 221 Ca 0.00 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 3gbp h ALA 221 Cb 0.95 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3gbp h ALA 221 CO 0.00 0.68 -0.01 -0.07 0.00 0.00 0.00 179.25 179.85 3gbp h LEU 222 N 0.63 -0.02 -1.19 0.00 3.38 -0.83 -2.18 115.31 115.09 3gbp h LEU 222 Ca -0.01 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.64 3gbp h LEU 222 Cb 1.25 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 3gbp h LEU 222 CO 0.14 0.22 -0.40 0.07 0.09 0.00 0.00 178.44 178.56 3gbp h LYS 223 N -0.27 0.00 -0.55 1.13 2.10 -1.34 -0.33 116.57 117.32 3gbp h LYS 223 Ca -0.00 0.00 0.10 0.00 -2.00 0.00 0.00 60.65 58.75 3gbp h LYS 223 Cb 0.25 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.55 3gbp h LYS 223 CO 0.00 0.40 0.37 0.00 -2.00 0.00 0.00 179.45 178.23 3gbp h ALA 224 N 1.60 2.08 -0.49 0.07 0.00 -0.97 0.20 119.26 121.75 3gbp h ALA 224 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3gbp h ALA 224 Cb 0.72 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3gbp h ALA 224 CO 0.05 -0.21 0.00 0.72 0.00 0.00 0.00 179.25 179.82 3gbp n HIS 225 N -4.46 0.77 -4.01 0.00 8.25 -0.86 -4.92 115.22 110.00 3gbp n HIS 225 Ca 0.09 -0.36 -0.31 0.00 -0.26 0.00 0.00 57.72 56.88 3gbp n HIS 225 Cb 0.38 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.45 3gbp n HIS 225 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3gbp n ASN 226 N 0.91 -3.64 -2.08 0.41 4.13 0.71 -4.83 115.26 110.86 3gbp n ASN 226 Ca 0.17 -0.88 -0.27 0.00 1.68 0.00 0.00 54.58 55.28 3gbp n ASN 226 Cb 0.49 -3.45 0.05 0.00 -1.54 0.00 0.00 39.78 35.33 3gbp n ASN 226 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3gbp n LYS 227 N -4.53 3.18 0.00 3.52 4.76 -0.15 -4.74 118.16 120.19 3gbp n LYS 227 Ca -0.00 -3.79 0.01 0.00 -2.87 0.00 0.00 58.31 51.65 3gbp n LYS 227 Cb 0.54 -2.26 0.03 0.00 -1.84 0.00 0.00 35.03 31.50 3gbp n LYS 227 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3gbp n SER 228 N -0.81 0.00 -0.28 4.39 3.41 -1.25 -2.01 113.62 117.07 3gbp n SER 228 Ca 0.50 0.42 0.14 0.00 -0.26 0.00 0.00 58.87 59.67 3gbp n SER 228 Cb 0.86 -0.42 0.51 0.00 -0.26 0.00 0.00 64.21 64.90 3gbp n SER 228 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3gbp n SER 229 N -1.42 0.99 -4.70 4.04 7.64 -1.26 -4.90 113.62 114.00 3gbp n SER 229 Ca 0.00 -1.01 -0.42 0.00 1.01 0.00 0.00 58.87 58.45 3gbp n SER 229 Cb 0.01 0.04 -0.03 0.00 -1.01 0.00 0.00 64.21 63.23 3gbp n SER 229 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3gbp s ILE 230 N -2.31 4.76 0.22 0.44 -1.09 -0.85 -5.01 121.20 117.36 3gbp s ILE 230 Ca 0.31 2.01 -0.30 0.00 -2.23 0.00 0.00 60.65 60.44 3gbp s ILE 230 Cb 0.20 -4.29 -0.09 0.00 -1.58 0.00 0.00 42.46 36.70 3gbp s ILE 230 CO 0.44 0.07 1.25 -2.16 -1.23 0.00 0.00 174.94 173.31 3gbp s PRO 231 N 1.61 4.44 -0.09 2.79 0.04 -1.26 -4.93 135.00 137.61 3gbp s PRO 231 Ca 0.50 1.99 0.04 0.00 0.04 0.00 0.00 61.00 63.58 3gbp s PRO 231 Cb -0.20 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.15 3gbp s PRO 231 CO 0.22 -0.14 -0.22 0.08 0.04 0.00 0.00 177.00 176.99 3gbp s VAL 232 N -0.25 1.86 0.01 -0.36 1.01 -1.26 -1.37 120.40 120.04 3gbp s VAL 232 Ca 0.53 -0.91 0.07 0.00 0.00 0.00 0.00 61.98 61.67 3gbp s VAL 232 Cb -0.35 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 3gbp s VAL 232 CO 0.40 0.52 -0.21 -0.36 0.00 0.00 0.00 175.10 175.44 3gbp s PHE 233 N 0.35 2.47 0.00 5.22 0.40 -0.44 -0.09 117.98 125.89 3gbp s PHE 233 Ca -0.16 -0.32 0.00 0.00 -0.60 0.00 0.00 56.93 55.84 3gbp s PHE 233 Cb -0.17 -1.49 0.00 0.00 0.51 0.00 0.00 43.02 41.87 3gbp s PHE 233 CO 0.07 0.13 0.00 0.41 0.70 0.00 0.00 175.22 176.53 3gbp n GLY 234 N 1.99 6.38 3.25 4.36 0.00 -0.70 -1.45 105.19 119.03 3gbp n GLY 234 Ca -0.16 -1.70 -0.13 0.00 0.00 0.00 0.00 46.02 44.03 3gbp n GLY 234 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gbp s VAL 235 N 0.24 -0.00 0.00 1.61 1.01 -1.26 -3.69 120.40 118.31 3gbp s VAL 235 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.00 3gbp s VAL 235 Cb 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 36.38 35.86 3gbp s VAL 235 CO 0.00 0.01 0.00 0.47 0.00 0.00 0.00 175.10 175.58 3gbp n ASP 236 N 3.10 0.00 -3.55 3.32 10.43 0.20 -1.13 116.55 128.92 3gbp n ASP 236 Ca -0.15 0.00 -0.20 0.00 2.57 0.00 0.00 54.79 57.01 3gbp n ASP 236 Cb 0.57 0.00 0.07 0.00 1.84 0.00 0.00 41.12 43.60 3gbp n ASP 236 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3gbp n ALA 237 N 0.00 -1.89 -1.77 2.24 0.00 -1.13 -1.80 120.51 116.17 3gbp n ALA 237 Ca 0.00 -0.01 -0.38 0.00 0.00 0.00 0.00 53.44 53.05 3gbp n ALA 237 Cb 0.00 -2.81 -0.00 0.00 0.00 0.00 0.00 19.45 16.64 3gbp n ALA 237 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gbp s LEU 238 N -6.62 4.04 0.35 0.00 1.43 -1.26 -4.74 118.68 111.87 3gbp s LEU 238 Ca 0.11 2.44 0.15 0.00 -1.03 0.00 0.00 54.13 55.80 3gbp s LEU 238 Cb -0.05 -4.17 1.05 0.00 0.03 0.00 0.00 46.19 43.05 3gbp s LEU 238 CO 0.76 -0.99 1.70 1.55 0.23 0.00 0.00 176.35 179.60 3gbp h PRO 239 N 2.12 0.39 -0.04 1.29 0.13 -1.99 0.24 132.00 134.13 3gbp h PRO 239 Ca -0.50 -0.02 -0.13 0.00 -0.87 0.00 0.00 66.00 64.48 3gbp h PRO 239 Cb 1.25 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 3gbp h PRO 239 CO 0.60 0.26 -0.57 0.93 -0.23 0.00 0.00 178.00 178.99 3gbp h GLU 240 N 0.40 0.12 0.05 0.86 3.07 -2.01 -2.81 114.58 114.27 3gbp h GLU 240 Ca 0.69 -0.08 -0.24 0.00 -0.50 0.00 0.00 59.36 59.23 3gbp h GLU 240 Cb 1.58 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 29.48 3gbp h GLU 240 CO -0.50 0.66 -1.13 0.00 -1.40 0.00 0.00 179.01 176.63 3gbp h ALA 241 N 1.33 0.26 -0.22 3.43 0.00 -0.94 -2.95 119.26 120.16 3gbp h ALA 241 Ca -0.00 -0.93 -0.03 0.00 0.00 0.00 0.00 54.91 53.95 3gbp h ALA 241 Cb 1.03 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3gbp h ALA 241 CO 0.08 1.15 0.02 -0.07 0.00 0.00 0.00 179.25 180.44 3gbp h LEU 242 N 0.03 0.29 -0.29 0.00 3.38 -1.04 0.14 115.31 117.81 3gbp h LEU 242 Ca -0.07 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 3gbp h LEU 242 Cb 1.86 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.53 3gbp h LEU 242 CO 0.16 0.33 0.02 0.00 0.09 0.00 0.00 178.44 179.04 3gbp h ALA 243 N 1.71 0.39 -0.34 1.53 0.00 -1.48 0.10 119.26 121.18 3gbp h ALA 243 Ca 0.08 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 3gbp h ALA 243 Cb 0.18 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3gbp h ALA 243 CO 0.00 0.11 -0.12 -0.07 0.00 0.00 0.00 179.25 179.17 3gbp h LEU 244 N 0.30 0.56 -0.84 0.00 3.38 -1.20 -0.26 115.31 117.25 3gbp h LEU 244 Ca 0.09 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 3gbp h LEU 244 Cb 0.39 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3gbp h LEU 244 CO 0.01 0.71 0.02 0.58 0.09 0.00 0.00 178.44 179.86 3gbp h VAL 245 N 0.53 1.25 -0.73 1.22 2.07 -0.51 0.25 116.25 120.34 3gbp h VAL 245 Ca 0.10 -1.03 -0.06 0.00 0.82 0.00 0.00 66.70 66.53 3gbp h VAL 245 Cb 0.52 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 3gbp h VAL 245 CO 0.03 0.37 0.22 0.50 0.02 0.00 0.00 177.57 178.71 3gbp h LYS 246 N 0.83 1.14 -0.00 1.57 3.64 -0.53 -1.58 116.57 121.64 3gbp h LYS 246 Ca 0.16 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3gbp h LYS 246 Cb 0.46 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3gbp h LYS 246 CO 0.02 0.98 -0.09 -1.13 -2.27 0.00 0.00 179.45 176.96 3gbp n SER 247 N -4.26 0.26 0.00 4.20 3.41 -0.15 -4.88 113.62 112.20 3gbp n SER 247 Ca 0.06 -0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 3gbp n SER 247 Cb 0.24 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 3gbp n SER 247 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gbp n GLY 248 N 1.32 1.22 0.26 5.00 0.00 0.06 -4.89 105.19 108.16 3gbp n GLY 248 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.27 3gbp n GLY 248 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gbp h ALA 249 N 0.00 1.25 -3.70 4.61 0.00 -0.86 -3.40 119.26 117.17 3gbp h ALA 249 Ca 0.00 -0.12 -0.67 0.00 0.00 0.00 0.00 54.91 54.12 3gbp h ALA 249 Cb 0.00 -0.02 -0.18 0.00 0.00 0.00 0.00 17.79 17.59 3gbp h ALA 249 CO 0.00 0.16 -0.79 -1.64 0.00 0.00 0.00 179.25 176.98 3gbp s MET 250 N -4.14 1.86 0.17 0.00 -1.94 -0.82 -4.42 119.30 110.00 3gbp s MET 250 Ca -0.02 -1.14 0.19 0.00 -1.71 0.00 0.00 55.69 53.00 3gbp s MET 250 Cb 0.13 -2.15 -0.03 0.00 2.01 0.00 0.00 34.83 34.79 3gbp s MET 250 CO 0.59 0.49 1.03 0.00 -0.01 0.00 0.00 175.02 177.12 3gbp h ALA 251 N 3.73 0.62 -1.00 3.03 0.00 -0.71 -3.37 119.26 121.55 3gbp h ALA 251 Ca -0.50 -0.40 0.32 0.00 0.00 0.00 0.00 54.91 54.34 3gbp h ALA 251 Cb 1.17 0.11 -0.22 0.00 0.00 0.00 0.00 17.79 18.84 3gbp h ALA 251 CO 0.47 0.45 1.00 0.20 0.00 0.00 0.00 179.25 181.37 3gbp s GLY 252 N -4.54 -0.13 0.29 0.00 0.00 -1.24 -4.63 107.32 97.06 3gbp s GLY 252 Ca -0.00 2.14 0.02 0.00 0.00 0.00 0.00 44.72 46.88 3gbp s GLY 252 CO 0.79 0.74 0.14 -1.59 0.00 0.00 0.00 173.10 173.18 3gbp s THR 253 N -1.80 0.38 -0.18 0.90 2.01 -0.23 -1.72 115.64 115.00 3gbp s THR 253 Ca 0.12 -2.00 0.01 0.00 0.31 0.00 0.00 61.69 60.12 3gbp s THR 253 Cb -0.01 -2.54 0.02 0.00 0.01 0.00 0.00 72.50 69.98 3gbp s THR 253 CO -0.03 0.00 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.02 3gbp s VAL 254 N -3.66 2.14 0.05 3.82 1.01 -1.24 -0.41 120.40 122.11 3gbp s VAL 254 Ca 0.36 -0.93 -0.32 0.00 0.00 0.00 0.00 61.98 61.09 3gbp s VAL 254 Cb 0.06 -1.91 -0.11 0.00 0.00 0.00 0.00 36.38 34.42 3gbp s VAL 254 CO 0.16 0.52 1.86 -0.11 0.00 0.00 0.00 175.10 177.53 3gbp n LEU 255 N 4.63 3.86 -4.35 3.92 7.94 0.22 0.61 117.00 133.82 3gbp n LEU 255 Ca -0.21 0.97 -0.38 0.00 -1.11 0.00 0.00 56.01 55.28 3gbp n LEU 255 Cb 0.50 -1.49 -0.12 0.00 0.53 0.00 0.00 43.42 42.84 3gbp n LEU 255 CO 0.26 0.09 -0.24 0.21 -1.11 0.00 0.00 177.39 176.61 3gbp s ASN 256 N 3.35 5.36 -1.23 1.96 3.84 -0.74 -2.64 114.94 124.84 3gbp s ASN 256 Ca 0.86 -0.84 -0.20 0.00 0.21 0.00 0.00 52.86 52.89 3gbp s ASN 256 Cb -0.53 -1.93 0.01 0.00 -0.55 0.00 0.00 41.25 38.25 3gbp s ASN 256 CO 0.42 -0.26 1.79 -0.62 -2.79 0.00 0.00 177.10 175.64 3gbp s ASP 257 N 1.51 6.15 0.29 -4.21 -1.08 -1.26 -4.78 116.67 113.29 3gbp s ASP 257 Ca 0.02 -2.07 0.02 0.00 -0.52 0.00 0.00 52.55 50.00 3gbp s ASP 257 Cb -0.18 -2.58 0.57 0.00 -1.46 0.00 0.00 42.92 39.27 3gbp s ASP 257 CO 0.04 -1.89 1.85 0.00 0.52 0.00 0.00 175.17 175.69 3gbp h ALA 258 N 8.55 1.54 -0.36 3.66 0.00 -1.94 -2.54 119.26 128.18 3gbp h ALA 258 Ca 0.34 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 55.11 3gbp h ALA 258 Cb 0.91 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3gbp h ALA 258 CO 1.37 0.22 -0.41 -0.91 0.00 0.00 0.00 179.25 179.52 3gbp h ASN 259 N 0.98 0.97 1.51 0.00 4.21 -1.92 -1.67 115.58 119.67 3gbp h ASN 259 Ca 0.48 -0.45 -0.04 0.00 1.21 0.00 0.00 56.30 57.50 3gbp h ASN 259 Cb 0.47 -0.27 -0.01 0.00 -1.12 0.00 0.00 38.32 37.39 3gbp h ASN 259 CO -0.25 1.25 -0.50 0.78 -1.29 0.00 0.00 177.43 177.42 3gbp h ASN 260 N 0.73 0.00 0.39 5.81 2.35 -1.93 -1.74 115.58 121.18 3gbp h ASN 260 Ca 0.05 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.57 3gbp h ASN 260 Cb 1.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.38 3gbp h ASN 260 CO 0.10 0.18 -0.98 1.56 -1.65 0.00 0.00 177.43 176.64 3gbp h GLN 261 N 0.00 0.38 -0.32 0.81 4.20 -1.41 0.65 115.11 119.43 3gbp h GLN 261 Ca -0.02 -0.44 -0.15 0.00 0.06 0.00 0.00 58.65 58.11 3gbp h GLN 261 Cb 1.16 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 29.06 3gbp h GLN 261 CO 0.02 1.12 -0.39 0.00 -0.67 0.00 0.00 178.83 178.90 3gbp h ALA 262 N 0.72 0.71 0.25 3.87 0.00 -1.28 -1.81 119.26 121.72 3gbp h ALA 262 Ca -0.09 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 3gbp h ALA 262 Cb 1.63 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.31 3gbp h ALA 262 CO 0.17 0.66 -0.12 -0.22 0.00 0.00 0.00 179.25 179.74 3gbp h LYS 263 N 0.62 -0.33 -0.68 0.00 3.11 -1.24 -2.58 116.57 115.47 3gbp h LYS 263 Ca 0.05 0.02 0.10 0.00 -2.81 0.00 0.00 60.65 58.02 3gbp h LYS 263 Cb 0.94 0.07 -0.08 0.00 -1.00 0.00 0.00 32.23 32.17 3gbp h LYS 263 CO 0.09 -0.02 0.30 0.00 -2.81 0.00 0.00 179.45 177.01 3gbp h ALA 264 N -0.02 0.92 -0.99 5.00 0.00 -0.88 -0.25 119.26 123.03 3gbp h ALA 264 Ca -0.03 0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.99 3gbp h ALA 264 Cb 0.46 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 3gbp h ALA 264 CO 0.06 -0.13 0.65 1.15 0.00 0.00 0.00 179.25 180.97 3gbp h THR 265 N 0.50 1.17 -0.05 0.00 2.02 -1.32 -0.73 112.91 114.50 3gbp h THR 265 Ca 0.34 -0.43 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 3gbp h THR 265 Cb 0.42 -0.20 -0.00 0.00 -1.74 0.00 0.00 68.15 66.63 3gbp h THR 265 CO -0.31 0.23 -0.08 0.15 0.37 0.00 0.00 175.52 175.88 3gbp h PHE 266 N 1.26 0.18 -0.59 3.16 3.04 -0.98 -1.66 116.94 121.34 3gbp h PHE 266 Ca 0.39 -0.06 -0.04 0.00 3.98 0.00 0.00 57.97 62.24 3gbp h PHE 266 Cb -0.00 -0.03 -0.03 0.00 2.56 0.00 0.00 35.95 38.45 3gbp h PHE 266 CO -0.00 0.65 0.20 -0.44 -2.02 0.00 0.00 178.31 176.69 3gbp h ASP 267 N -0.35 0.86 -0.13 0.41 5.19 -0.81 -0.88 116.42 120.71 3gbp h ASP 267 Ca 0.00 -0.20 -0.14 0.00 -0.62 0.00 0.00 57.03 56.08 3gbp h ASP 267 Cb 0.63 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.92 3gbp h ASP 267 CO 0.02 0.83 -0.47 -0.07 -3.12 0.00 0.00 179.24 176.43 3gbp h LEU 268 N 0.84 0.63 -0.55 1.55 3.38 -1.10 -2.63 115.31 117.44 3gbp h LEU 268 Ca 0.19 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.55 3gbp h LEU 268 Cb 0.27 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3gbp h LEU 268 CO -0.01 1.14 0.36 0.00 0.09 0.00 0.00 178.44 180.02 3gbp h ALA 269 N 0.51 0.70 -0.44 1.53 0.00 -1.26 -0.34 119.26 119.95 3gbp h ALA 269 Ca -0.02 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 3gbp h ALA 269 Cb 1.10 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3gbp h ALA 269 CO 0.10 0.15 -0.12 -0.22 0.00 0.00 0.00 179.25 179.15 3gbp h LYS 270 N 0.74 0.81 0.29 0.00 3.64 -1.21 -0.44 116.57 120.41 3gbp h LYS 270 Ca 0.20 -0.28 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 3gbp h LYS 270 Cb -0.07 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 3gbp h LYS 270 CO -0.04 0.89 -0.14 -0.91 -2.27 0.00 0.00 179.45 176.98 3gbp h ASN 271 N 0.73 -0.33 -0.67 4.20 2.35 -0.99 -0.79 115.58 120.07 3gbp h ASN 271 Ca 0.12 -0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.76 3gbp h ASN 271 Cb 0.61 0.09 -0.03 0.00 0.05 0.00 0.00 38.32 39.04 3gbp h ASN 271 CO 0.04 -0.15 0.25 -0.07 -1.65 0.00 0.00 177.43 175.85 3gbp h LEU 272 N -0.50 0.97 -1.65 1.61 3.38 -1.08 -0.88 115.31 117.15 3gbp h LEU 272 Ca -0.04 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.79 3gbp h LEU 272 Cb 0.37 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3gbp h LEU 272 CO 0.07 0.88 0.26 0.00 0.09 0.00 0.00 178.44 179.73 3gbp h ALA 273 N 1.25 1.77 -0.47 1.53 0.00 -0.72 -1.71 119.26 120.91 3gbp h ALA 273 Ca 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3gbp h ALA 273 Cb 0.24 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3gbp h ALA 273 CO -0.01 0.20 0.00 0.39 0.00 0.00 0.00 179.25 179.82 3gbp n GLU 274 N -4.48 2.96 -0.97 0.00 1.02 -0.33 -4.88 120.64 113.95 3gbp n GLU 274 Ca 0.03 -2.07 0.00 0.00 -0.02 0.00 0.00 57.16 55.11 3gbp n GLU 274 Cb 0.09 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 29.80 3gbp n GLU 274 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gbp n GLY 275 N 0.92 0.95 3.95 0.62 0.00 -0.64 -5.01 105.19 105.97 3gbp n GLY 275 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 3gbp n GLY 275 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gbp s LYS 276 N -0.05 1.55 0.41 1.61 1.02 -0.82 -4.98 119.74 118.47 3gbp s LYS 276 Ca 0.00 -0.60 -0.24 0.00 0.02 0.00 0.00 55.97 55.15 3gbp s LYS 276 Cb 0.00 -2.13 -0.08 0.00 -0.52 0.00 0.00 37.83 35.10 3gbp s LYS 276 CO 0.00 -1.66 1.11 0.20 -0.92 0.00 0.00 175.35 174.08 3gbp s GLY 277 N -4.70 2.79 0.26 -3.33 0.00 -1.26 -4.17 107.32 96.91 3gbp s GLY 277 Ca 0.66 0.84 -0.02 0.00 0.00 0.00 0.00 44.72 46.21 3gbp s GLY 277 CO 0.47 1.30 1.70 0.00 0.00 0.00 0.00 173.10 176.58 3gbp h ALA 278 N 2.44 1.15 -0.55 3.20 0.00 -1.91 0.70 119.26 124.29 3gbp h ALA 278 Ca -0.49 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3gbp h ALA 278 Cb 1.23 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3gbp h ALA 278 CO 0.62 -0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.58 3gbp n ALA 279 N -2.56 2.41 -1.68 0.00 0.00 -1.26 -4.21 120.51 113.21 3gbp n ALA 279 Ca 0.17 -1.01 -0.46 0.00 0.00 0.00 0.00 53.44 52.13 3gbp n ALA 279 Cb 0.51 -0.95 -0.04 0.00 0.00 0.00 0.00 19.45 18.96 3gbp n ALA 279 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3gbp n ASP 280 N 1.23 3.47 0.00 0.00 10.43 0.24 -0.68 116.55 131.24 3gbp n ASP 280 Ca 0.20 1.01 0.00 0.00 2.57 0.00 0.00 54.79 58.57 3gbp n ASP 280 Cb 0.51 -1.43 0.00 0.00 1.84 0.00 0.00 41.12 42.04 3gbp n ASP 280 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3gbp n GLY 281 N 4.04 0.51 3.59 0.44 0.00 -1.26 -4.99 105.19 107.53 3gbp n GLY 281 Ca 0.20 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 3gbp n GLY 281 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gbp s THR 282 N -2.00 2.15 -0.31 2.61 -4.23 0.14 -5.01 115.64 108.99 3gbp s THR 282 Ca 0.00 -2.08 0.10 0.00 -1.18 0.00 0.00 61.69 58.53 3gbp s THR 282 Cb 0.00 -2.83 0.62 0.00 1.34 0.00 0.00 72.50 71.63 3gbp s THR 282 CO 0.00 -0.10 1.65 -1.20 -0.54 0.00 0.00 174.62 174.43 3gbp n SER 283 N -0.90 3.75 -4.74 3.99 7.64 -1.26 -4.98 113.62 117.12 3gbp n SER 283 Ca -0.05 -3.42 -0.40 0.00 1.01 0.00 0.00 58.87 56.02 3gbp n SER 283 Cb 0.65 -0.69 -0.05 0.00 -1.01 0.00 0.00 64.21 63.11 3gbp n SER 283 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 3gbp s TRP 284 N -3.09 3.74 -0.36 1.43 0.52 -1.26 -5.01 118.94 114.91 3gbp s TRP 284 Ca 0.50 1.49 -0.13 0.00 0.02 0.00 0.00 56.10 57.98 3gbp s TRP 284 Cb 0.42 -2.84 -0.01 0.00 -1.15 0.00 0.00 33.47 29.89 3gbp s TRP 284 CO 0.08 0.26 0.25 -1.59 0.02 0.00 0.00 176.95 175.97 3gbp s LYS 285 N -0.01 3.36 -0.26 4.98 -2.85 -1.26 -4.92 119.74 118.78 3gbp s LYS 285 Ca 0.39 -0.74 -0.13 0.00 -1.00 0.00 0.00 55.97 54.49 3gbp s LYS 285 Cb -0.21 -3.84 -0.04 0.00 -2.06 0.00 0.00 37.83 31.68 3gbp s LYS 285 CO 0.23 -0.52 0.30 0.42 0.10 0.00 0.00 175.35 175.88 3gbp s ILE 286 N 1.71 5.24 -0.26 3.79 1.01 -1.26 -4.51 121.20 126.91 3gbp s ILE 286 Ca 0.06 0.42 0.03 0.00 0.00 0.00 0.00 60.65 61.16 3gbp s ILE 286 Cb -0.18 -3.63 0.06 0.00 0.01 0.00 0.00 42.46 38.72 3gbp s ILE 286 CO 0.10 0.22 -0.10 -1.61 0.00 0.00 0.00 174.94 173.55 3gbp s GLU 287 N 1.75 2.24 -1.31 2.79 2.02 0.04 -4.77 118.70 121.47 3gbp s GLU 287 Ca 0.12 -1.35 -0.03 0.00 0.02 0.00 0.00 54.97 53.73 3gbp s GLU 287 Cb -0.15 -2.91 0.01 0.00 0.10 0.00 0.00 34.13 31.18 3gbp s GLU 287 CO 0.09 -0.58 0.90 -1.71 0.02 0.00 0.00 175.26 173.98 3gbp n ASN 288 N 4.44 -2.59 0.00 -0.19 5.15 -1.26 -1.17 115.26 119.65 3gbp n ASN 288 Ca -0.14 -0.71 0.00 0.00 -0.60 0.00 0.00 54.58 53.13 3gbp n ASN 288 Cb 0.42 -4.52 0.00 0.00 -0.53 0.00 0.00 39.78 35.15 3gbp n ASN 288 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3gbp n LYS 289 N -4.37 -0.04 -4.90 1.20 4.76 -1.26 -4.97 118.16 108.57 3gbp n LYS 289 Ca -0.21 0.01 -0.33 0.00 -2.87 0.00 0.00 58.31 54.91 3gbp n LYS 289 Cb 0.64 -2.98 -0.14 0.00 -1.84 0.00 0.00 35.03 30.71 3gbp n LYS 289 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3gbp s ILE 290 N -3.21 2.99 -0.16 -0.18 1.01 -0.31 -1.45 121.20 119.89 3gbp s ILE 290 Ca 0.00 -0.74 -0.01 0.00 0.00 0.00 0.00 60.65 59.91 3gbp s ILE 290 Cb 0.00 -2.18 -0.01 0.00 0.01 0.00 0.00 42.46 40.29 3gbp s ILE 290 CO 0.00 0.58 -0.13 -0.69 0.00 0.00 0.00 174.94 174.70 3gbp s VAL 291 N -0.53 2.88 -0.22 2.92 1.01 -0.34 -0.78 120.40 125.34 3gbp s VAL 291 Ca 0.07 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.36 3gbp s VAL 291 Cb -0.12 -2.23 0.03 0.00 0.00 0.00 0.00 36.38 34.07 3gbp s VAL 291 CO 0.01 0.50 -0.14 -0.13 0.00 0.00 0.00 175.10 175.35 3gbp s ARG 292 N 0.79 2.76 0.06 2.72 0.52 -1.26 -0.80 118.95 123.73 3gbp s ARG 292 Ca -0.05 -1.00 -0.14 0.00 -0.52 0.00 0.00 55.73 54.01 3gbp s ARG 292 Cb -0.15 -2.77 -0.06 0.00 0.52 0.00 0.00 34.95 32.49 3gbp s ARG 292 CO 0.01 -0.35 0.46 0.08 0.02 0.00 0.00 175.30 175.52 3gbp s VAL 293 N 1.25 4.96 0.42 3.52 1.01 0.18 -4.84 120.40 126.90 3gbp s VAL 293 Ca 0.00 0.82 -0.24 0.00 0.00 0.00 0.00 61.98 62.56 3gbp s VAL 293 Cb -0.16 -3.73 -0.08 0.00 0.00 0.00 0.00 36.38 32.41 3gbp s VAL 293 CO -0.09 0.45 1.12 -2.84 0.00 0.00 0.00 175.10 173.74 3gbp s PRO 294 N -1.43 3.99 0.37 2.72 0.02 -1.26 -4.20 135.00 135.21 3gbp s PRO 294 Ca 0.29 1.69 -0.10 0.00 0.02 0.00 0.00 61.00 62.90 3gbp s PRO 294 Cb -0.16 -2.53 -0.06 0.00 0.02 0.00 0.00 34.50 31.76 3gbp s PRO 294 CO 0.16 -0.33 0.72 0.71 -0.33 0.00 0.00 177.00 177.94 3gbp s TYR 295 N -1.55 3.46 -0.02 6.54 1.51 -1.26 -4.46 117.35 121.57 3gbp s TYR 295 Ca 0.60 0.97 0.03 0.00 -1.01 0.00 0.00 57.07 57.66 3gbp s TYR 295 Cb -0.27 -2.38 -0.00 0.00 -0.11 0.00 0.00 41.96 39.20 3gbp s TYR 295 CO 0.33 -0.03 -0.11 0.08 -1.11 0.00 0.00 175.55 174.71 3gbp s VAL 296 N -2.28 0.91 0.29 0.71 1.01 -1.08 -4.93 120.40 115.02 3gbp s VAL 296 Ca 0.50 -0.45 -0.29 0.00 0.00 0.00 0.00 61.98 61.74 3gbp s VAL 296 Cb -0.10 -0.79 -0.09 0.00 0.00 0.00 0.00 36.38 35.40 3gbp s VAL 296 CO 0.30 0.27 1.03 -0.83 0.00 0.00 0.00 175.10 175.87 3gbp s GLY 297 N 0.02 3.02 -0.05 4.51 0.00 -1.26 0.71 107.32 114.26 3gbp s GLY 297 Ca -0.01 0.75 -0.00 0.00 0.00 0.00 0.00 44.72 45.46 3gbp s GLY 297 CO 0.00 1.31 -0.01 0.14 0.00 0.00 0.00 173.10 174.54 3gbp s VAL 298 N -1.27 0.33 0.00 1.40 1.01 0.46 -4.85 120.40 117.47 3gbp s VAL 298 Ca 0.46 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.51 3gbp s VAL 298 Cb -0.28 -0.45 0.00 0.00 0.00 0.00 0.00 36.38 35.65 3gbp s VAL 298 CO 0.35 0.22 0.00 -0.90 0.00 0.00 0.00 175.10 174.77 3gbp n ASP 299 N 4.64 0.00 0.10 3.32 5.68 -1.26 -1.07 116.55 127.96 3gbp n ASP 299 Ca -0.16 -0.95 0.11 0.00 -0.50 0.00 0.00 54.79 53.30 3gbp n ASP 299 Cb 0.50 0.00 0.60 0.00 -1.14 0.00 0.00 41.12 41.09 3gbp n ASP 299 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 3gbp h LYS 300 N 0.00 0.13 0.00 0.11 1.57 -1.86 -2.64 116.57 113.88 3gbp h LYS 300 Ca 0.00 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.64 3gbp h LYS 300 Cb 0.00 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 3gbp h LYS 300 CO 0.00 0.09 -0.62 -0.44 -0.57 0.00 0.00 179.45 177.91 3gbp h ASP 301 N 0.14 0.00 -0.08 0.86 3.32 -1.98 -3.26 116.42 115.41 3gbp h ASP 301 Ca 0.13 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 3gbp h ASP 301 Cb 0.36 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 3gbp h ASP 301 CO -0.02 0.62 -0.02 -0.46 -1.72 0.00 0.00 179.24 177.65 3gbp n ASN 302 N -3.67 2.75 0.25 6.45 6.94 -1.17 -4.77 115.26 122.06 3gbp n ASN 302 Ca -0.01 -3.11 0.12 0.00 -0.02 0.00 0.00 54.58 51.56 3gbp n ASN 302 Cb 0.65 -0.47 0.68 0.00 -2.36 0.00 0.00 39.78 38.28 3gbp n ASN 302 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 3gbp h LEU 303 N 0.54 0.00 0.00 -4.53 5.85 -1.52 -2.67 115.31 112.98 3gbp h LEU 303 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3gbp h LEU 303 Cb 1.13 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.16 3gbp h LEU 303 CO 0.07 0.14 0.00 -1.54 -0.34 0.00 0.00 178.44 176.77 3gbp n SER 304 N -3.65 0.00 -0.03 1.25 3.41 -1.26 -1.27 113.62 112.08 3gbp n SER 304 Ca -0.02 0.47 0.13 0.00 -0.26 0.00 0.00 58.87 59.20 3gbp n SER 304 Cb 0.26 -0.48 0.49 0.00 -0.26 0.00 0.00 64.21 64.22 3gbp n SER 304 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3gbp n GLU 305 N -1.48 0.15 -0.01 4.33 1.02 -1.01 -4.39 120.64 119.26 3gbp n GLU 305 Ca 0.04 -0.05 -0.01 0.00 -0.02 0.00 0.00 57.16 57.11 3gbp n GLU 305 Cb 0.16 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.06 3gbp n GLU 305 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3gbp n PHE 306 N -1.38 0.00 -1.56 -0.32 3.01 -0.39 -5.22 117.46 111.60 3gbp n PHE 306 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.54 3gbp n PHE 306 Cb 0.32 -0.11 0.00 0.00 -0.01 0.00 0.00 39.48 39.69 3gbp n PHE 306 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02