#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h6t n ASN 3 N 0.00 -1.89 -4.43 0.00 2.04 -1.26 -4.97 115.26 104.75 3h6t n ASN 3 Ca 0.00 0.13 -0.29 0.00 -0.44 0.00 0.00 54.58 53.98 3h6t n ASN 3 Cb 0.00 -0.44 -0.12 0.00 -2.53 0.00 0.00 39.78 36.68 3h6t n ASN 3 CO 0.00 0.00 0.00 -0.75 -0.44 0.00 0.00 177.26 176.07 3h6t s LYS 4 N -0.25 1.60 -0.01 -3.83 2.20 -1.26 -5.09 119.74 113.10 3h6t s LYS 4 Ca 0.00 -1.25 -0.30 0.00 -0.36 0.00 0.00 55.97 54.05 3h6t s LYS 4 Cb 0.00 -2.00 -0.05 0.00 -1.51 0.00 0.00 37.83 34.27 3h6t s LYS 4 CO 0.00 0.47 1.30 0.99 -0.36 0.00 0.00 175.35 177.75 3h6t s THR 5 N -1.07 3.93 -0.08 3.43 2.01 -1.26 -4.66 115.64 117.95 3h6t s THR 5 Ca 0.15 1.31 -0.30 0.00 0.31 0.00 0.00 61.69 63.17 3h6t s THR 5 Cb -0.10 -3.84 -0.03 0.00 0.01 0.00 0.00 72.50 68.53 3h6t s THR 5 CO 0.07 0.02 1.31 -0.69 -0.69 0.00 0.00 174.62 174.64 3h6t s VAL 6 N 2.09 4.07 -0.29 3.82 1.01 0.29 -4.84 120.40 126.55 3h6t s VAL 6 Ca 0.60 1.37 -0.27 0.00 0.00 0.00 0.00 61.98 63.68 3h6t s VAL 6 Cb -0.29 -3.89 0.01 0.00 0.00 0.00 0.00 36.38 32.22 3h6t s VAL 6 CO 0.25 -0.05 0.99 -0.69 0.00 0.00 0.00 175.10 175.60 3h6t s VAL 7 N 2.82 4.64 -0.31 2.92 1.01 -1.26 -1.04 120.40 129.18 3h6t s VAL 7 Ca 0.59 1.67 -0.09 0.00 0.00 0.00 0.00 61.98 64.15 3h6t s VAL 7 Cb -0.26 -4.31 -0.00 0.00 0.00 0.00 0.00 36.38 31.80 3h6t s VAL 7 CO 0.21 -0.33 0.14 -0.69 0.00 0.00 0.00 175.10 174.43 3h6t s VAL 8 N 3.33 4.47 0.01 2.92 1.01 -0.03 -1.38 120.40 130.73 3h6t s VAL 8 Ca 0.41 -0.46 -0.16 0.00 0.00 0.00 0.00 61.98 61.77 3h6t s VAL 8 Cb -0.13 -3.28 -0.06 0.00 0.00 0.00 0.00 36.38 32.91 3h6t s VAL 8 CO 0.12 0.08 0.46 0.28 0.00 0.00 0.00 175.10 176.04 3h6t s THR 9 N 1.59 4.96 0.27 3.92 -1.32 0.31 -0.01 115.64 125.37 3h6t s THR 9 Ca 0.04 0.96 -0.05 0.00 -1.21 0.00 0.00 61.69 61.44 3h6t s THR 9 Cb -0.17 -3.78 0.02 0.00 -1.51 0.00 0.00 72.50 67.06 3h6t s THR 9 CO 0.05 0.54 0.44 1.07 -2.21 0.00 0.00 174.62 174.52 3h6t n THR 10 N 2.01 0.00 -4.08 5.08 5.66 -0.52 -2.45 114.28 119.97 3h6t n THR 10 Ca -0.12 -1.09 -0.14 0.00 -3.05 0.00 0.00 64.05 59.65 3h6t n THR 10 Cb 0.52 0.78 -0.13 0.00 -1.55 0.00 0.00 70.33 69.94 3h6t n THR 10 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 3h6t s ILE 11 N -2.57 0.38 -0.73 1.09 2.07 -1.26 -1.11 121.20 119.06 3h6t s ILE 11 Ca 0.18 -0.51 -0.26 0.00 -1.41 0.00 0.00 60.65 58.64 3h6t s ILE 11 Cb -0.02 -0.38 -0.01 0.00 0.13 0.00 0.00 42.46 42.18 3h6t s ILE 11 CO 0.13 -0.10 1.72 -0.76 -1.91 0.00 0.00 174.94 174.02 3h6t s LEU 12 N -0.66 3.25 -0.14 8.50 1.43 -1.26 -4.29 118.68 125.52 3h6t s LEU 12 Ca -0.03 -0.18 -0.04 0.00 -1.03 0.00 0.00 54.13 52.85 3h6t s LEU 12 Cb -0.05 -2.55 0.07 0.00 0.03 0.00 0.00 46.19 43.69 3h6t s LEU 12 CO -0.00 -2.26 0.23 -0.70 0.23 0.00 0.00 176.35 173.84 3h6t s GLU 13 N 6.59 0.13 0.28 1.70 2.56 -0.94 -4.98 118.70 124.03 3h6t s GLU 13 Ca 0.59 0.56 -0.29 0.00 0.00 0.00 0.00 54.97 55.83 3h6t s GLU 13 Cb -0.09 -0.39 -0.10 0.00 2.00 0.00 0.00 34.13 35.55 3h6t s GLU 13 CO 0.13 -0.39 1.22 -1.12 -0.56 0.00 0.00 175.26 174.54 3h6t s SER 14 N 2.37 7.00 -0.39 -1.70 0.01 -1.26 -0.01 113.70 119.72 3h6t s SER 14 Ca 0.03 2.45 0.06 0.00 1.31 0.00 0.00 55.95 59.80 3h6t s SER 14 Cb -0.13 -2.63 0.64 0.00 0.21 0.00 0.00 66.02 64.11 3h6t s SER 14 CO -0.09 -0.38 1.79 -0.81 0.41 0.00 0.00 173.24 174.17 3h6t n PRO 15 N 1.41 2.33 0.03 12.44 -0.04 -1.26 -4.93 135.00 144.97 3h6t n PRO 15 Ca 0.01 -3.06 -0.11 0.00 -0.04 0.00 0.00 63.50 60.30 3h6t n PRO 15 Cb 0.43 -2.09 -0.08 0.00 -0.04 0.00 0.00 33.50 31.72 3h6t n PRO 15 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3h6t h TYR 16 N 1.20 -0.14 -3.40 0.54 0.05 -0.77 -0.17 116.97 114.28 3h6t h TYR 16 Ca 0.49 -0.00 -0.28 0.00 0.05 0.00 0.00 58.73 58.98 3h6t h TYR 16 Cb 2.50 0.05 -0.33 0.00 1.01 0.00 0.00 36.73 39.95 3h6t h TYR 16 CO 1.41 0.35 -0.68 0.08 -1.05 0.00 0.00 178.16 178.27 3h6t s VAL 17 N -3.28 -0.06 0.06 -2.88 1.01 -0.74 -0.77 120.40 113.75 3h6t s VAL 17 Ca -0.13 0.21 -0.05 0.00 0.00 0.00 0.00 61.98 62.01 3h6t s VAL 17 Cb 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 36.38 36.21 3h6t s VAL 17 CO 0.50 0.09 0.08 -0.04 0.00 0.00 0.00 175.10 175.73 3h6t s MET 18 N 1.18 0.70 0.09 2.72 -1.94 0.18 -2.20 119.30 120.02 3h6t s MET 18 Ca -0.08 -1.04 -0.30 0.00 -1.71 0.00 0.00 55.69 52.56 3h6t s MET 18 Cb -0.12 0.27 -0.05 0.00 2.01 0.00 0.00 34.83 36.93 3h6t s MET 18 CO -0.04 -0.18 0.96 -1.64 -0.01 0.00 0.00 175.02 174.11 3h6t s MET 19 N -3.67 4.66 0.63 2.03 -1.94 -1.26 -1.64 119.30 118.11 3h6t s MET 19 Ca 0.04 1.43 -0.16 0.00 -1.71 0.00 0.00 55.69 55.29 3h6t s MET 19 Cb 0.05 -3.39 -0.01 0.00 2.01 0.00 0.00 34.83 33.48 3h6t s MET 19 CO -0.10 0.16 1.13 0.15 -0.01 0.00 0.00 175.02 176.36 3h6t s LYS 20 N 0.21 2.89 0.23 2.03 1.02 -0.32 -4.88 119.74 120.91 3h6t s LYS 20 Ca 0.48 1.52 -0.09 0.00 0.02 0.00 0.00 55.97 57.90 3h6t s LYS 20 Cb -0.23 -1.95 0.37 0.00 -0.52 0.00 0.00 37.83 35.50 3h6t s LYS 20 CO 0.29 -1.20 1.65 -0.22 -0.92 0.00 0.00 175.35 174.95 3h6t h LYS 21 N 0.36 0.11 -0.53 1.68 3.64 -1.95 -1.78 116.57 118.10 3h6t h LYS 21 Ca -0.48 -0.01 -0.25 0.00 -1.27 0.00 0.00 60.65 58.64 3h6t h LYS 21 Cb 1.26 -0.03 -0.15 0.00 -0.41 0.00 0.00 32.23 32.90 3h6t h LYS 21 CO 0.54 0.07 0.13 0.27 -2.27 0.00 0.00 179.45 178.20 3h6t n ASN 22 N -5.31 3.05 -0.40 4.20 6.94 -1.26 -4.77 115.26 117.71 3h6t n ASN 22 Ca 0.11 -3.64 0.37 0.00 -0.02 0.00 0.00 54.58 51.40 3h6t n ASN 22 Cb 0.42 -0.69 0.72 0.00 -2.36 0.00 0.00 39.78 37.87 3h6t n ASN 22 CO 0.00 0.00 0.00 1.12 -1.03 0.00 0.00 177.26 177.35 3h6t h HIS 23 N 1.17 0.14 0.00 -2.53 2.07 -1.60 0.21 115.15 114.61 3h6t h HIS 23 Ca 0.31 0.01 -0.01 0.00 -2.85 0.00 0.00 60.37 57.83 3h6t h HIS 23 Cb 1.99 -0.04 -0.00 0.00 2.57 0.00 0.00 27.41 31.94 3h6t h HIS 23 CO 1.15 -0.01 -0.05 0.93 -3.07 0.00 0.00 177.93 176.88 3h6t h GLU 24 N 0.06 0.00 -0.65 5.12 5.08 -1.86 -1.26 114.58 121.07 3h6t h GLU 24 Ca 0.66 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.02 3h6t h GLU 24 Cb 2.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.71 3h6t h GLU 24 CO -0.08 0.05 0.00 -1.33 -1.00 0.00 0.00 179.01 176.64 3h6t n MET 25 N -3.71 3.21 -4.57 2.33 2.81 0.73 -4.95 117.12 112.98 3h6t n MET 25 Ca -0.02 -2.73 -0.26 0.00 -1.81 0.00 0.00 57.70 52.88 3h6t n MET 25 Cb 0.15 -1.70 -0.10 0.00 -0.71 0.00 0.00 33.22 30.86 3h6t n MET 25 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3h6t s LEU 26 N -1.43 2.35 0.09 4.03 1.43 -0.47 -5.15 118.68 119.53 3h6t s LEU 26 Ca 0.48 -1.48 -0.06 0.00 -1.03 0.00 0.00 54.13 52.04 3h6t s LEU 26 Cb 0.28 -0.53 -0.02 0.00 0.03 0.00 0.00 46.19 45.95 3h6t s LEU 26 CO 0.27 -0.67 0.13 -1.83 0.23 0.00 0.00 176.35 174.48 3h6t s GLU 27 N -3.81 0.83 4.85 1.70 -1.05 -1.26 -4.83 118.70 115.13 3h6t s GLU 27 Ca 0.28 -1.12 0.00 0.00 -0.15 0.00 0.00 54.97 53.98 3h6t s GLU 27 Cb 0.07 0.30 0.00 0.00 -0.44 0.00 0.00 34.13 34.05 3h6t s GLU 27 CO 0.14 -0.24 0.00 0.41 0.95 0.00 0.00 175.26 176.51 3h6t n GLY 28 N -0.04 1.76 0.24 -3.83 0.00 -1.26 -2.70 105.19 99.35 3h6t n GLY 28 Ca -0.13 -0.57 0.16 0.00 0.00 0.00 0.00 46.02 45.49 3h6t n GLY 28 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3h6t h ASN 29 N 9.38 0.00 0.69 1.61 2.35 -1.92 -2.66 115.58 125.03 3h6t h ASN 29 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3h6t h ASN 29 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3h6t h ASN 29 CO 0.00 0.00 0.00 -0.62 -1.65 0.00 0.00 177.43 175.16 3h6t n GLU 30 N -2.69 0.12 0.19 0.81 -0.58 -1.10 -2.55 120.64 114.84 3h6t n GLU 30 Ca -0.01 0.33 0.14 0.00 -0.42 0.00 0.00 57.16 57.20 3h6t n GLU 30 Cb 0.14 -1.71 0.46 0.00 -0.57 0.00 0.00 31.44 29.75 3h6t n GLU 30 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3h6t h ARG 31 N 0.00 0.00 -6.23 3.49 3.08 -1.62 -3.46 114.38 109.64 3h6t h ARG 31 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 3h6t h ARG 31 Cb 0.35 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.31 3h6t h ARG 31 CO 0.00 0.00 -0.63 0.71 -1.07 0.00 0.00 179.97 178.98 3h6t s TYR 32 N -3.36 2.81 0.06 3.04 2.02 -1.06 -1.18 117.35 119.69 3h6t s TYR 32 Ca 0.05 -0.18 -0.12 0.00 -0.37 0.00 0.00 57.07 56.45 3h6t s TYR 32 Cb 0.09 -1.27 0.01 0.00 -0.40 0.00 0.00 41.96 40.39 3h6t s TYR 32 CO 0.55 0.58 0.27 -1.83 -1.57 0.00 0.00 175.55 173.54 3h6t s GLU 33 N -3.54 0.83 0.00 -0.62 -1.05 -0.65 -4.84 118.70 108.83 3h6t s GLU 33 Ca 0.31 -0.65 0.00 0.00 -0.15 0.00 0.00 54.97 54.48 3h6t s GLU 33 Cb -0.07 0.35 0.00 0.00 -0.44 0.00 0.00 34.13 33.97 3h6t s GLU 33 CO 0.21 -0.27 0.00 0.41 0.95 0.00 0.00 175.26 176.56 3h6t n GLY 34 N 0.36 2.42 0.29 -3.83 0.00 -1.26 -0.65 105.19 102.51 3h6t n GLY 34 Ca -0.18 -1.87 -0.08 0.00 0.00 0.00 0.00 46.02 43.89 3h6t n GLY 34 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3h6t h TYR 35 N 0.00 -0.69 0.00 1.61 5.03 -0.51 -1.05 116.97 121.36 3h6t h TYR 35 Ca 0.00 0.04 -0.02 0.00 2.58 0.00 0.00 58.73 61.33 3h6t h TYR 35 Cb 0.00 0.34 -0.00 0.00 1.55 0.00 0.00 36.73 38.62 3h6t h TYR 35 CO 0.00 -0.33 -0.09 0.00 -1.32 0.00 0.00 178.16 176.42 3h6t h VAL 37 N 0.00 1.31 -0.52 0.00 2.07 -1.30 -0.76 116.25 117.04 3h6t h VAL 37 Ca -0.00 -1.84 -0.11 0.00 0.82 0.00 0.00 66.70 65.57 3h6t h VAL 37 Cb 0.49 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 3h6t h VAL 37 CO 0.01 0.58 -0.11 0.44 0.02 0.00 0.00 177.57 178.51 3h6t h ASP 38 N 0.41 0.97 -0.41 0.57 3.32 -0.85 -2.62 116.42 117.81 3h6t h ASP 38 Ca -0.03 -0.31 -0.14 0.00 0.02 0.00 0.00 57.03 56.57 3h6t h ASP 38 Cb 1.24 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.51 3h6t h ASP 38 CO 0.13 1.08 -0.27 0.25 -1.72 0.00 0.00 179.24 178.71 3h6t h LEU 39 N 0.87 0.95 -0.12 1.55 5.85 -1.16 -2.47 115.31 120.77 3h6t h LEU 39 Ca 0.14 -0.43 0.03 0.00 0.84 0.00 0.00 57.88 58.46 3h6t h LEU 39 Cb 0.66 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 3h6t h LEU 39 CO 0.05 1.17 -0.09 0.00 -0.34 0.00 0.00 178.44 179.23 3h6t h ALA 40 N 0.80 0.01 -0.62 1.25 0.00 -1.05 0.33 119.26 119.98 3h6t h ALA 40 Ca 0.08 0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.11 3h6t h ALA 40 Cb 0.85 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 3h6t h ALA 40 CO 0.07 -0.54 0.31 0.00 0.00 0.00 0.00 179.25 179.09 3h6t h ALA 41 N 1.00 0.83 -0.34 0.00 0.00 -1.42 0.26 119.26 119.59 3h6t h ALA 41 Ca 0.08 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3h6t h ALA 41 Cb 0.21 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3h6t h ALA 41 CO -0.18 -0.06 0.06 0.93 0.00 0.00 0.00 179.25 180.00 3h6t h GLU 42 N 0.56 0.56 0.20 0.00 4.39 -0.87 -1.07 114.58 118.35 3h6t h GLU 42 Ca 0.29 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.84 3h6t h GLU 42 Cb 0.25 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 3h6t h GLU 42 CO -0.22 0.64 -0.14 0.82 -1.16 0.00 0.00 179.01 178.95 3h6t h ILE 43 N 0.40 0.70 -0.91 3.13 1.08 0.12 -1.07 117.51 120.96 3h6t h ILE 43 Ca 0.10 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.63 3h6t h ILE 43 Cb 0.34 0.70 -0.06 0.00 -3.07 0.00 0.00 36.82 34.74 3h6t h ILE 43 CO 0.01 0.00 0.59 0.00 -0.69 0.00 0.00 178.15 178.06 3h6t h ALA 44 N 0.45 1.48 -0.34 1.87 0.00 -0.92 -0.60 119.26 121.20 3h6t h ALA 44 Ca -0.01 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3h6t h ALA 44 Cb 0.29 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3h6t h ALA 44 CO 0.01 0.40 0.03 -0.22 0.00 0.00 0.00 179.25 179.47 3h6t h LYS 45 N 1.07 0.58 0.00 0.00 3.64 -0.91 0.66 116.57 121.61 3h6t h LYS 45 Ca 0.38 -0.17 -0.03 0.00 -1.27 0.00 0.00 60.65 59.56 3h6t h LYS 45 Cb 0.13 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 3h6t h LYS 45 CO -0.13 0.69 -0.16 0.45 -2.27 0.00 0.00 179.45 178.02 3h6t h HIS 46 N 0.40 0.00 0.00 1.91 3.86 -0.81 -3.17 115.15 117.34 3h6t h HIS 46 Ca 0.10 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 3h6t h HIS 46 Cb 0.40 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.87 3h6t h HIS 46 CO 0.03 0.16 -1.08 0.00 0.86 0.00 0.00 177.93 177.90 3h6t n GLY 48 N 1.44 0.54 3.18 0.00 0.00 0.09 -5.06 105.19 105.38 3h6t n GLY 48 Ca 0.03 -0.43 -0.15 0.00 0.00 0.00 0.00 46.02 45.47 3h6t n GLY 48 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3h6t s PHE 49 N -3.08 1.10 0.12 1.61 -0.12 -0.42 -5.04 117.98 112.14 3h6t s PHE 49 Ca 0.13 -0.63 -0.02 0.00 -0.05 0.00 0.00 56.93 56.36 3h6t s PHE 49 Cb -0.06 -0.60 -0.05 0.00 -0.63 0.00 0.00 43.02 41.69 3h6t s PHE 49 CO 0.18 0.02 0.31 0.15 -0.05 0.00 0.00 175.22 175.84 3h6t s LYS 50 N -2.69 3.53 0.22 1.99 1.02 -1.26 -4.52 119.74 118.03 3h6t s LYS 50 Ca 0.05 -0.26 -0.03 0.00 0.02 0.00 0.00 55.97 55.75 3h6t s LYS 50 Cb -0.04 -2.92 -0.03 0.00 -0.52 0.00 0.00 37.83 34.32 3h6t s LYS 50 CO 0.01 0.51 0.21 1.52 -0.92 0.00 0.00 175.35 176.68 3h6t s TYR 51 N -1.63 1.04 -0.11 3.18 1.13 -1.26 -0.55 117.35 119.15 3h6t s TYR 51 Ca 0.38 -1.27 -0.03 0.00 -1.41 0.00 0.00 57.07 54.75 3h6t s TYR 51 Cb -0.12 -0.42 0.04 0.00 -1.10 0.00 0.00 41.96 40.36 3h6t s TYR 51 CO 0.27 -0.73 0.04 0.21 -2.51 0.00 0.00 175.55 172.83 3h6t s LYS 52 N -4.08 0.32 0.09 -3.49 2.47 -0.20 -4.84 119.74 110.01 3h6t s LYS 52 Ca 0.36 0.03 -0.30 0.00 -1.56 0.00 0.00 55.97 54.49 3h6t s LYS 52 Cb 0.05 -1.28 -0.06 0.00 -1.46 0.00 0.00 37.83 35.08 3h6t s LYS 52 CO 0.12 -0.46 1.09 -0.51 0.16 0.00 0.00 175.35 175.75 3h6t s LEU 53 N 2.04 4.43 -0.02 5.43 1.43 -1.26 -0.85 118.68 129.87 3h6t s LEU 53 Ca 0.03 1.94 0.00 0.00 -1.03 0.00 0.00 54.13 55.08 3h6t s LEU 53 Cb -0.14 -3.59 0.02 0.00 0.03 0.00 0.00 46.19 42.51 3h6t s LEU 53 CO -0.06 -0.29 -0.00 0.42 0.23 0.00 0.00 176.35 176.64 3h6t s THR 54 N 0.49 0.16 0.04 5.49 -4.23 0.99 -4.87 115.64 113.70 3h6t s THR 54 Ca 0.53 0.06 -0.30 0.00 -1.18 0.00 0.00 61.69 60.80 3h6t s THR 54 Cb -0.27 -0.23 -0.04 0.00 1.34 0.00 0.00 72.50 73.30 3h6t s THR 54 CO 0.31 0.12 0.97 -0.63 -0.54 0.00 0.00 174.62 174.85 3h6t s ILE 55 N 0.79 4.74 0.19 2.99 -1.09 -1.26 -1.44 121.20 126.12 3h6t s ILE 55 Ca -0.08 2.06 -0.32 0.00 -2.23 0.00 0.00 60.65 60.07 3h6t s ILE 55 Cb -0.11 -4.32 -0.15 0.00 -1.58 0.00 0.00 42.46 36.31 3h6t s ILE 55 CO -0.01 0.22 1.27 1.33 -1.23 0.00 0.00 174.94 176.51 3h6t n VAL 56 N 3.50 0.85 -0.14 2.92 0.24 -0.27 -4.89 118.33 120.55 3h6t n VAL 56 Ca 0.05 -0.21 -0.07 0.00 -2.04 0.00 0.00 64.34 62.06 3h6t n VAL 56 Cb 0.50 -1.08 0.01 0.00 -1.47 0.00 0.00 33.84 31.80 3h6t n VAL 56 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3h6t h GLY 57 N 3.78 0.59 -0.66 7.63 0.00 -1.93 -2.62 103.07 109.86 3h6t h GLY 57 Ca -0.44 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 46.69 3h6t h GLY 57 CO 0.73 0.18 0.00 2.09 0.00 0.00 0.00 176.54 179.53 3h6t n ASP 58 N -4.84 1.33 -2.19 0.19 5.68 -1.26 -4.92 116.55 110.55 3h6t n ASP 58 Ca 0.01 -1.77 -0.14 0.00 -0.50 0.00 0.00 54.79 52.40 3h6t n ASP 58 Cb 0.05 -0.12 -0.02 0.00 -1.14 0.00 0.00 41.12 39.90 3h6t n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3h6t n GLY 59 N 1.01 -0.05 3.68 6.12 0.00 -0.99 -4.94 105.19 110.02 3h6t n GLY 59 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 3h6t n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h6t s LYS 60 N -4.60 2.34 -0.11 1.61 1.02 -1.26 -5.02 119.74 113.72 3h6t s LYS 60 Ca 0.00 -1.45 -0.07 0.00 0.02 0.00 0.00 55.97 54.47 3h6t s LYS 60 Cb 0.00 -2.18 -0.05 0.00 -0.52 0.00 0.00 37.83 35.08 3h6t s LYS 60 CO 0.00 0.28 0.12 1.88 -0.92 0.00 0.00 175.35 176.71 3h6t h TYR 61 N 1.76 0.00 0.00 3.18 -1.99 -1.89 -2.50 116.97 115.52 3h6t h TYR 61 Ca -0.44 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.29 3h6t h TYR 61 Cb 1.25 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.98 3h6t h TYR 61 CO 0.66 0.21 0.00 0.41 -0.00 0.00 0.00 178.16 179.44 3h6t n GLY 62 N 1.72 1.84 3.11 3.88 0.00 -1.15 -0.82 105.19 113.77 3h6t n GLY 62 Ca -0.03 0.29 -0.09 0.00 0.00 0.00 0.00 46.02 46.19 3h6t n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h6t s ALA 63 N 0.00 0.08 -0.28 4.61 0.00 -1.26 -4.74 121.76 120.18 3h6t s ALA 63 Ca 0.00 -0.73 -0.09 0.00 0.00 0.00 0.00 51.96 51.13 3h6t s ALA 63 Cb 0.00 0.28 -0.03 0.00 0.00 0.00 0.00 23.12 23.37 3h6t s ALA 63 CO 0.00 -0.34 0.13 0.50 0.00 0.00 0.00 175.76 176.05 3h6t s ARG 64 N -3.01 3.65 0.16 0.00 3.52 -1.26 -1.44 118.95 120.56 3h6t s ARG 64 Ca -0.02 -0.50 -0.31 0.00 -0.13 0.00 0.00 55.73 54.77 3h6t s ARG 64 Cb 0.01 -3.50 -0.11 0.00 -1.56 0.00 0.00 34.95 29.79 3h6t s ARG 64 CO -0.06 -0.26 1.78 0.34 -0.81 0.00 0.00 175.30 176.29 3h6t s ASP 65 N 1.66 6.41 0.46 -2.12 -1.08 -0.91 -4.87 116.67 116.21 3h6t s ASP 65 Ca 0.06 2.80 0.15 0.00 -0.52 0.00 0.00 52.55 55.04 3h6t s ASP 65 Cb -0.16 -2.58 1.06 0.00 -1.46 0.00 0.00 42.92 39.78 3h6t s ASP 65 CO 0.07 -0.99 2.02 0.00 0.52 0.00 0.00 175.17 176.79 3h6t h ALA 66 N 7.84 1.75 -1.17 3.66 0.00 -1.96 -0.79 119.26 128.58 3h6t h ALA 66 Ca -0.45 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3h6t h ALA 66 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3h6t h ALA 66 CO 0.95 0.18 0.00 -0.25 0.00 0.00 0.00 179.25 180.13 3h6t n ASP 67 N -4.36 0.00 0.29 0.00 8.00 -1.26 -4.50 116.55 114.73 3h6t n ASP 67 Ca -0.03 0.22 0.19 0.00 0.71 0.00 0.00 54.79 55.88 3h6t n ASP 67 Cb 0.21 -0.30 0.89 0.00 -0.02 0.00 0.00 41.12 41.90 3h6t n ASP 67 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3h6t h THR 68 N 0.00 0.00 -0.63 -3.53 1.35 -1.99 -3.46 112.91 104.65 3h6t h THR 68 Ca 0.00 -0.30 -0.22 0.00 -0.55 0.00 0.00 66.41 65.34 3h6t h THR 68 Cb 0.00 1.28 -0.08 0.00 -1.73 0.00 0.00 68.15 67.62 3h6t h THR 68 CO 0.00 0.00 -0.21 0.29 -0.25 0.00 0.00 175.52 175.35 3h6t n LYS 69 N -3.04 -0.76 -3.72 4.72 4.76 -0.30 -5.01 118.16 114.80 3h6t n LYS 69 Ca -0.01 0.84 -0.35 0.00 -2.87 0.00 0.00 58.31 55.92 3h6t n LYS 69 Cb 0.21 -4.81 -0.08 0.00 -1.84 0.00 0.00 35.03 28.51 3h6t n LYS 69 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3h6t s ILE 70 N -2.42 5.41 0.18 -0.18 1.01 -1.25 -4.77 121.20 119.18 3h6t s ILE 70 Ca 0.00 0.24 -0.30 0.00 0.00 0.00 0.00 60.65 60.59 3h6t s ILE 70 Cb 0.00 -3.48 -0.07 0.00 0.01 0.00 0.00 42.46 38.91 3h6t s ILE 70 CO 0.00 0.46 0.98 0.26 0.00 0.00 0.00 174.94 176.63 3h6t s TRP 71 N 0.21 3.84 0.00 3.97 0.52 -1.26 -2.15 118.94 124.08 3h6t s TRP 71 Ca 0.10 1.82 0.00 0.00 0.02 0.00 0.00 56.10 58.04 3h6t s TRP 71 Cb -0.11 -3.06 0.00 0.00 -1.15 0.00 0.00 33.47 29.14 3h6t s TRP 71 CO -0.01 0.17 0.00 0.27 0.02 0.00 0.00 176.95 177.40 3h6t n ASN 72 N 2.14 0.81 0.00 2.95 0.23 -0.52 -4.31 115.26 116.57 3h6t n ASN 72 Ca 0.00 -0.64 0.00 0.00 -0.53 0.00 0.00 54.58 53.41 3h6t n ASN 72 Cb 0.48 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.18 3h6t n ASN 72 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3h6t n GLY 73 N 5.00 0.80 0.35 4.83 0.00 -1.26 -1.22 105.19 113.69 3h6t n GLY 73 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.24 3h6t n GLY 73 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3h6t h MET 74 N 0.00 1.00 -0.82 1.61 2.86 -0.50 -2.16 114.93 116.92 3h6t h MET 74 Ca 0.00 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.58 3h6t h MET 74 Cb 0.00 -0.22 -0.04 0.00 0.06 0.00 0.00 31.60 31.40 3h6t h MET 74 CO 0.00 0.67 0.53 0.28 1.06 0.00 0.00 176.91 179.46 3h6t h VAL 75 N 1.03 1.21 -0.70 -2.22 2.07 -1.54 -1.65 116.25 114.46 3h6t h VAL 75 Ca 0.27 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 3h6t h VAL 75 Cb -0.10 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 29.66 3h6t h VAL 75 CO -0.06 0.21 0.40 1.23 0.02 0.00 0.00 177.57 179.38 3h6t h GLY 76 N 1.11 1.02 0.38 2.17 0.00 -0.55 -0.01 103.07 107.19 3h6t h GLY 76 Ca 0.30 -0.44 0.12 0.00 0.00 0.00 0.00 47.33 47.30 3h6t h GLY 76 CO -0.06 0.43 0.42 0.83 0.00 0.00 0.00 176.54 178.16 3h6t h GLU 77 N 0.95 0.65 -0.09 4.80 4.39 -0.77 0.60 114.58 125.11 3h6t h GLU 77 Ca 0.25 -0.04 -0.16 0.00 0.34 0.00 0.00 59.36 59.75 3h6t h GLU 77 Cb -0.00 -0.15 0.01 0.00 -0.10 0.00 0.00 28.75 28.51 3h6t h GLU 77 CO -0.04 0.43 -0.56 -0.07 -1.16 0.00 0.00 179.01 177.61 3h6t h LEU 78 N 0.67 0.65 -0.86 1.33 3.38 -0.92 0.75 115.31 120.31 3h6t h LEU 78 Ca 0.41 -0.66 -0.08 0.00 0.09 0.00 0.00 57.88 57.64 3h6t h LEU 78 Cb 0.48 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3h6t h LEU 78 CO -0.30 1.21 -0.02 0.58 0.09 0.00 0.00 178.44 179.99 3h6t h VAL 79 N 0.13 1.25 -0.64 1.22 2.07 -0.49 -3.13 116.25 116.65 3h6t h VAL 79 Ca -0.05 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.42 3h6t h VAL 79 Cb 1.21 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 3h6t h VAL 79 CO 0.11 0.37 0.00 -1.22 0.02 0.00 0.00 177.57 176.86 3h6t n TYR 80 N -4.20 1.03 -0.92 1.57 4.01 0.16 -4.96 117.16 113.84 3h6t n TYR 80 Ca 0.02 -0.47 0.00 0.00 -0.16 0.00 0.00 57.90 57.29 3h6t n TYR 80 Cb 0.32 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.28 3h6t n TYR 80 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3h6t n GLY 81 N 1.41 0.58 0.13 2.72 0.00 -1.15 -4.93 105.19 103.94 3h6t n GLY 81 Ca 0.22 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.24 3h6t n GLY 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h6t h LYS 82 N 1.42 0.00 -5.02 1.61 6.56 -1.16 -3.46 116.57 116.53 3h6t h LYS 82 Ca 0.00 0.00 -0.34 0.00 -1.06 0.00 0.00 60.65 59.25 3h6t h LYS 82 Cb 0.00 0.00 -0.19 0.00 -0.57 0.00 0.00 32.23 31.47 3h6t h LYS 82 CO 0.00 0.63 -0.74 0.00 -2.06 0.00 0.00 179.45 177.28 3h6t s ALA 83 N -3.32 1.06 -0.20 3.86 0.00 -0.68 -4.99 121.76 117.49 3h6t s ALA 83 Ca 0.00 -1.08 0.22 0.00 0.00 0.00 0.00 51.96 51.10 3h6t s ALA 83 Cb 0.11 -0.00 -0.11 0.00 0.00 0.00 0.00 23.12 23.12 3h6t s ALA 83 CO 0.75 0.02 0.86 -0.25 0.00 0.00 0.00 175.76 177.15 3h6t n ASP 84 N 0.87 0.55 -3.55 0.00 8.00 -0.48 -4.47 116.55 117.48 3h6t n ASP 84 Ca -0.18 0.18 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 3h6t n ASP 84 Cb 0.56 0.98 -0.05 0.00 -0.02 0.00 0.00 41.12 42.59 3h6t n ASP 84 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3h6t s ILE 85 N -3.40 0.00 -0.12 0.53 2.07 -0.98 -4.37 121.20 114.93 3h6t s ILE 85 Ca -0.03 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.25 3h6t s ILE 85 Cb 0.11 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.71 3h6t s ILE 85 CO 0.83 0.00 -0.23 0.00 -1.91 0.00 0.00 174.94 173.63 3h6t s ALA 86 N -1.37 2.22 -0.41 1.50 0.00 0.05 -0.53 121.76 123.22 3h6t s ALA 86 Ca -0.04 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 50.91 3h6t s ALA 86 Cb -0.00 -0.91 0.13 0.00 0.00 0.00 0.00 23.12 22.34 3h6t s ALA 86 CO 0.03 0.14 0.21 0.42 0.00 0.00 0.00 175.76 176.56 3h6t s ILE 87 N 0.56 1.31 0.37 0.00 1.01 -1.03 -2.37 121.20 121.06 3h6t s ILE 87 Ca -0.13 -2.35 -0.16 0.00 0.00 0.00 0.00 60.65 58.01 3h6t s ILE 87 Cb -0.17 -1.93 0.06 0.00 0.01 0.00 0.00 42.46 40.43 3h6t s ILE 87 CO 0.04 -0.86 0.81 0.00 0.00 0.00 0.00 174.94 174.94 3h6t s ALA 88 N 0.58 -0.81 -1.43 9.38 0.00 -1.26 -4.69 121.76 123.52 3h6t s ALA 88 Ca 0.16 -0.72 -0.12 0.00 0.00 0.00 0.00 51.96 51.28 3h6t s ALA 88 Cb -0.23 0.68 -0.05 0.00 0.00 0.00 0.00 23.12 23.52 3h6t s ALA 88 CO -0.03 -0.99 2.56 -0.35 0.00 0.00 0.00 175.76 176.94 3h6t n PRO 89 N -0.55 3.09 -3.34 0.00 -0.04 -1.26 -4.70 135.00 128.20 3h6t n PRO 89 Ca -0.08 -2.22 -0.42 0.00 -0.04 0.00 0.00 63.50 60.74 3h6t n PRO 89 Cb 0.60 -2.93 -0.09 0.00 -0.04 0.00 0.00 33.50 31.04 3h6t n PRO 89 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3h6t s LEU 90 N 0.89 4.58 0.30 1.53 2.96 -1.26 -5.01 118.68 122.67 3h6t s LEU 90 Ca 0.58 -0.37 -0.29 0.00 -0.22 0.00 0.00 54.13 53.83 3h6t s LEU 90 Cb 0.16 -2.40 -0.10 0.00 0.50 0.00 0.00 46.19 44.35 3h6t s LEU 90 CO -0.05 -0.46 1.30 -0.89 -1.32 0.00 0.00 176.35 174.93 3h6t s THR 91 N 2.13 2.87 -0.22 3.68 2.01 -1.26 -2.27 115.64 122.58 3h6t s THR 91 Ca 0.13 0.84 -0.29 0.00 0.31 0.00 0.00 61.69 62.68 3h6t s THR 91 Cb -0.17 -3.53 0.01 0.00 0.01 0.00 0.00 72.50 68.82 3h6t s THR 91 CO 0.13 0.18 1.06 -0.63 -0.69 0.00 0.00 174.62 174.67 3h6t s ILE 92 N -0.84 4.64 0.10 1.82 1.01 -0.93 -4.87 121.20 122.14 3h6t s ILE 92 Ca 0.51 1.98 0.01 0.00 0.00 0.00 0.00 60.65 63.15 3h6t s ILE 92 Cb -0.39 -4.28 -0.04 0.00 0.01 0.00 0.00 42.46 37.76 3h6t s ILE 92 CO 0.48 -0.17 -0.04 0.42 0.00 0.00 0.00 174.94 175.63 3h6t s THR 93 N 3.21 0.54 0.09 2.92 -4.23 -1.26 -4.83 115.64 112.08 3h6t s THR 93 Ca 0.45 -1.91 -0.29 0.00 -1.18 0.00 0.00 61.69 58.76 3h6t s THR 93 Cb -0.16 -1.75 -0.14 0.00 1.34 0.00 0.00 72.50 71.80 3h6t s THR 93 CO 0.07 -0.80 1.66 0.25 -0.54 0.00 0.00 174.62 175.25 3h6t h LEU 94 N 2.96 -0.58 -0.99 4.79 6.46 -1.97 0.21 115.31 126.18 3h6t h LEU 94 Ca -0.35 0.04 0.06 0.00 -0.12 0.00 0.00 57.88 57.51 3h6t h LEU 94 Cb 1.17 0.18 -0.07 0.00 -0.73 0.00 0.00 40.66 41.22 3h6t h LEU 94 CO 0.64 -0.35 0.64 -0.37 -0.62 0.00 0.00 178.44 178.37 3h6t h VAL 95 N -0.54 1.09 -0.13 1.05 -1.51 -2.00 -1.85 116.25 112.35 3h6t h VAL 95 Ca -0.03 -0.40 -0.17 0.00 -1.23 0.00 0.00 66.70 64.88 3h6t h VAL 95 Cb 0.47 -0.17 0.01 0.00 -2.13 0.00 0.00 31.29 29.46 3h6t h VAL 95 CO 0.01 0.21 -0.56 0.03 -1.23 0.00 0.00 177.57 176.03 3h6t h ARG 96 N 1.16 0.62 -0.25 5.19 3.08 -1.92 -3.11 114.38 119.15 3h6t h ARG 96 Ca 0.42 -0.48 0.07 0.00 0.07 0.00 0.00 59.98 60.06 3h6t h ARG 96 Cb 0.15 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 3h6t h ARG 96 CO -0.17 1.11 0.28 1.49 -1.07 0.00 0.00 179.97 181.61 3h6t h GLU 97 N 0.27 0.00 0.00 0.04 4.57 -0.02 0.10 114.58 119.53 3h6t h GLU 97 Ca -0.03 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 3h6t h GLU 97 Cb 1.20 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 3h6t h GLU 97 CO 0.12 0.00 0.00 0.93 -1.18 0.00 0.00 179.01 178.88 3h6t h GLU 98 N 0.00 0.00 0.00 1.92 5.08 -1.28 -3.33 114.58 116.97 3h6t h GLU 98 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3h6t h GLU 98 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 3h6t h GLU 98 CO -0.00 0.00 -0.69 1.33 -1.00 0.00 0.00 179.01 178.65 3h6t n VAL 99 N -2.84 0.00 -4.08 3.13 0.24 0.17 -5.07 118.33 109.88 3h6t n VAL 99 Ca 0.04 -0.26 -0.10 0.00 -2.04 0.00 0.00 64.34 61.98 3h6t n VAL 99 Cb 0.45 0.72 -0.09 0.00 -1.47 0.00 0.00 33.84 33.45 3h6t n VAL 99 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 3h6t s ILE 100 N -1.87 0.08 -0.04 1.34 -4.36 -0.16 -4.12 121.20 112.07 3h6t s ILE 100 Ca 0.00 -1.72 -0.04 0.00 -0.26 0.00 0.00 60.65 58.64 3h6t s ILE 100 Cb 0.04 -2.00 -0.04 0.00 1.25 0.00 0.00 42.46 41.71 3h6t s ILE 100 CO 0.21 -0.37 0.16 -1.81 0.24 0.00 0.00 174.94 173.37 3h6t s ASP 101 N -3.02 6.33 -0.02 4.36 1.01 -0.37 -4.30 116.67 120.66 3h6t s ASP 101 Ca 0.22 0.37 0.06 0.00 0.71 0.00 0.00 52.55 53.92 3h6t s ASP 101 Cb 0.06 -2.00 -0.01 0.00 1.01 0.00 0.00 42.92 41.97 3h6t s ASP 101 CO 0.02 0.31 -0.21 -0.36 0.21 0.00 0.00 175.17 175.13 3h6t s PHE 102 N -1.22 1.95 0.93 4.23 0.08 -1.26 -1.42 117.98 121.26 3h6t s PHE 102 Ca 0.23 -0.41 -0.15 0.00 0.12 0.00 0.00 56.93 56.72 3h6t s PHE 102 Cb -0.12 -1.26 0.18 0.00 -0.57 0.00 0.00 43.02 41.24 3h6t s PHE 102 CO 0.14 -0.06 1.29 -1.54 -0.10 0.00 0.00 175.22 174.95 3h6t s SER 103 N -0.41 3.38 0.53 1.36 1.04 -0.43 -4.93 113.70 114.24 3h6t s SER 103 Ca 0.06 0.38 -0.21 0.00 0.48 0.00 0.00 55.95 56.66 3h6t s SER 103 Cb -0.09 -0.52 -0.05 0.00 0.10 0.00 0.00 66.02 65.46 3h6t s SER 103 CO -0.00 -2.58 1.23 -0.54 0.98 0.00 0.00 173.24 172.33 3h6t s LYS 104 N -5.82 3.30 0.37 4.02 3.01 -1.26 -4.49 119.74 118.86 3h6t s LYS 104 Ca 0.71 1.91 -0.26 0.00 -1.01 0.00 0.00 55.97 57.32 3h6t s LYS 104 Cb -0.05 -2.18 -0.12 0.00 -1.01 0.00 0.00 37.83 34.47 3h6t s LYS 104 CO 0.52 -0.96 1.07 -0.35 0.51 0.00 0.00 175.35 176.14 3h6t n PRO 105 N -1.06 1.52 -0.00 -1.68 -0.04 -1.26 -4.62 135.00 127.86 3h6t n PRO 105 Ca 0.11 0.54 0.06 0.00 -0.04 0.00 0.00 63.50 64.17 3h6t n PRO 105 Cb 0.48 -2.05 -0.08 0.00 -0.04 0.00 0.00 33.50 31.81 3h6t n PRO 105 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 3h6t n PHE 106 N -0.12 0.00 -3.72 0.54 1.16 0.11 -4.96 117.46 110.47 3h6t n PHE 106 Ca 0.08 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.53 3h6t n PHE 106 Cb 0.37 -0.03 -0.09 0.00 -1.61 0.00 0.00 39.48 38.11 3h6t n PHE 106 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 3h6t s MET 107 N -2.30 0.55 0.17 3.97 0.00 -1.25 -4.98 119.30 115.46 3h6t s MET 107 Ca 0.04 0.51 -0.01 0.00 0.00 0.00 0.00 55.69 56.22 3h6t s MET 107 Cb 0.10 0.26 -0.04 0.00 0.00 0.00 0.00 34.83 35.15 3h6t s MET 107 CO 0.54 -0.08 0.36 -1.12 0.00 0.00 0.00 175.02 174.72 3h6t s SER 108 N 0.01 6.40 0.06 1.11 0.01 -1.26 -1.12 113.70 118.91 3h6t s SER 108 Ca -0.02 0.41 -0.28 0.00 1.31 0.00 0.00 55.95 57.38 3h6t s SER 108 Cb -0.03 -2.02 0.09 0.00 0.21 0.00 0.00 66.02 64.27 3h6t s SER 108 CO 0.01 0.01 1.07 -1.48 0.41 0.00 0.00 173.24 173.26 3h6t s LEU 109 N -3.08 -0.16 0.02 2.44 -0.00 -0.85 -4.72 118.68 112.33 3h6t s LEU 109 Ca 0.38 -0.25 -0.15 0.00 -0.00 0.00 0.00 54.13 54.11 3h6t s LEU 109 Cb -0.11 1.86 0.02 0.00 -0.00 0.00 0.00 46.19 47.96 3h6t s LEU 109 CO 0.28 -0.64 0.33 -0.83 -0.00 0.00 0.00 176.35 175.49 3h6t s GLY 110 N -2.85 -0.17 0.23 -3.48 0.00 -1.26 -1.47 107.32 98.33 3h6t s GLY 110 Ca 0.12 0.21 -0.30 0.00 0.00 0.00 0.00 44.72 44.75 3h6t s GLY 110 CO -0.01 -0.01 1.48 -0.42 0.00 0.00 0.00 173.10 174.14 3h6t s ILE 111 N -2.02 2.61 0.37 0.90 1.01 -1.26 -0.09 121.20 122.71 3h6t s ILE 111 Ca -0.09 0.49 0.06 0.00 0.00 0.00 0.00 60.65 61.11 3h6t s ILE 111 Cb -0.02 -3.31 -0.03 0.00 0.01 0.00 0.00 42.46 39.11 3h6t s ILE 111 CO 0.00 0.07 0.21 -0.94 0.00 0.00 0.00 174.94 174.28 3h6t s SER 112 N 0.57 2.17 -0.16 3.58 1.04 0.44 -0.19 113.70 121.15 3h6t s SER 112 Ca 0.62 -1.73 -0.00 0.00 0.48 0.00 0.00 55.95 55.33 3h6t s SER 112 Cb -0.43 0.55 -0.00 0.00 0.10 0.00 0.00 66.02 66.24 3h6t s SER 112 CO 0.41 -1.01 -0.14 -0.63 0.98 0.00 0.00 173.24 172.84 3h6t s ILE 113 N -3.35 2.76 -0.17 -1.02 1.01 -1.26 -1.93 121.20 117.24 3h6t s ILE 113 Ca 0.33 -0.74 -0.06 0.00 0.00 0.00 0.00 60.65 60.18 3h6t s ILE 113 Cb 0.02 -2.17 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 3h6t s ILE 113 CO 0.21 0.51 0.02 -0.32 0.00 0.00 0.00 174.94 175.37 3h6t s MET 114 N 0.82 3.84 0.25 2.79 -2.45 0.34 -2.38 119.30 122.51 3h6t s MET 114 Ca -0.05 -0.41 0.03 0.00 -1.25 0.00 0.00 55.69 54.01 3h6t s MET 114 Cb -0.15 -3.09 -0.05 0.00 1.25 0.00 0.00 34.83 32.79 3h6t s MET 114 CO 0.00 0.28 0.04 0.96 1.05 0.00 0.00 175.02 177.34 3h6t s ILE 115 N 0.32 0.91 -0.11 10.11 -4.36 -0.90 -1.10 121.20 126.07 3h6t s ILE 115 Ca 0.00 -2.01 -0.24 0.00 -0.26 0.00 0.00 60.65 58.14 3h6t s ILE 115 Cb -0.13 -2.51 -0.03 0.00 1.25 0.00 0.00 42.46 41.05 3h6t s ILE 115 CO 0.01 -0.18 0.75 -0.75 0.24 0.00 0.00 174.94 175.01 3h6t s LYS 116 N -3.92 4.37 -0.24 0.37 2.47 -1.26 -2.30 119.74 119.23 3h6t s LYS 116 Ca 0.32 0.92 -0.42 0.00 -1.56 0.00 0.00 55.97 55.23 3h6t s LYS 116 Cb 0.07 -3.50 -0.18 0.00 -1.46 0.00 0.00 37.83 32.75 3h6t s LYS 116 CO 0.11 -0.10 1.51 1.63 0.16 0.00 0.00 175.35 178.66 3h6t n LYS 117 N 4.41 0.57 0.00 4.03 5.02 -0.63 -1.12 118.16 130.43 3h6t n LYS 117 Ca 0.01 0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 3h6t n LYS 117 Cb 0.50 -1.79 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 3h6t n LYS 117 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h6t n GLY 118 N 3.37 0.82 3.69 0.72 0.00 -1.26 -5.03 105.19 107.50 3h6t n GLY 118 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 3h6t n GLY 118 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h6t s THR 119 N -2.08 3.27 -0.79 2.61 2.01 -0.27 -4.88 115.64 115.51 3h6t s THR 119 Ca 0.00 0.70 -0.22 0.00 0.31 0.00 0.00 61.69 62.48 3h6t s THR 119 Cb 0.00 -3.45 -0.16 0.00 0.01 0.00 0.00 72.50 68.90 3h6t s THR 119 CO 0.00 -0.00 1.92 -0.81 -0.69 0.00 0.00 174.62 175.04 3h6t n PRO 120 N 5.49 1.49 -3.68 4.92 -0.04 -1.26 -4.79 135.00 137.12 3h6t n PRO 120 Ca 0.15 -1.88 -0.10 0.00 -0.04 0.00 0.00 63.50 61.63 3h6t n PRO 120 Cb 0.42 -2.97 -0.10 0.00 -0.04 0.00 0.00 33.50 30.81 3h6t n PRO 120 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3h6t s ILE 121 N 5.46 -0.10 -0.02 0.52 -1.09 -1.26 -5.04 121.20 119.67 3h6t s ILE 121 Ca 0.58 0.09 0.03 0.00 -2.23 0.00 0.00 60.65 59.13 3h6t s ILE 121 Cb 0.13 -0.67 0.05 0.00 -1.58 0.00 0.00 42.46 40.40 3h6t s ILE 121 CO 0.12 0.04 0.86 -1.84 -1.23 0.00 0.00 174.94 172.89 3h6t n GLU 122 N 4.40 0.76 -3.65 2.79 0.28 -1.26 -4.93 120.64 119.03 3h6t n GLU 122 Ca -0.21 -1.19 -0.01 0.00 -0.16 0.00 0.00 57.16 55.58 3h6t n GLU 122 Cb 0.55 -0.76 -0.01 0.00 1.43 0.00 0.00 31.44 32.65 3h6t n GLU 122 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 3h6t s SER 123 N -0.99 -0.12 0.29 -1.84 1.04 -1.26 -3.75 113.70 107.08 3h6t s SER 123 Ca 0.05 -0.19 0.09 0.00 0.48 0.00 0.00 55.95 56.39 3h6t s SER 123 Cb 0.05 0.27 0.44 0.00 0.10 0.00 0.00 66.02 66.87 3h6t s SER 123 CO 0.01 -0.49 1.67 0.00 0.98 0.00 0.00 173.24 175.41 3h6t h ALA 124 N 2.00 1.07 -0.47 5.32 0.00 -1.93 -2.84 119.26 122.41 3h6t h ALA 124 Ca -0.26 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.17 3h6t h ALA 124 Cb 1.21 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 3h6t h ALA 124 CO 0.27 0.67 0.30 1.49 0.00 0.00 0.00 179.25 181.98 3h6t h GLU 125 N 0.06 0.63 -0.70 0.00 4.81 -1.97 -1.91 114.58 115.49 3h6t h GLU 125 Ca -0.00 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.23 3h6t h GLU 125 Cb 0.95 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 30.14 3h6t h GLU 125 CO 0.07 0.43 0.41 -0.44 -0.73 0.00 0.00 179.01 178.75 3h6t h ASP 126 N 0.63 0.64 -0.47 1.04 5.19 -1.90 -2.09 116.42 119.46 3h6t h ASP 126 Ca 0.17 0.02 -0.11 0.00 -0.62 0.00 0.00 57.03 56.49 3h6t h ASP 126 Cb -0.05 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.33 3h6t h ASP 126 CO -0.04 0.42 -0.10 -0.07 -3.12 0.00 0.00 179.24 176.33 3h6t h LEU 127 N 0.77 0.93 0.00 1.55 3.38 -1.32 -2.52 115.31 118.10 3h6t h LEU 127 Ca 0.30 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3h6t h LEU 127 Cb 0.13 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3h6t h LEU 127 CO -0.16 1.05 0.00 -1.54 0.09 0.00 0.00 178.44 177.88 3h6t n SER 128 N -4.15 0.00 -0.10 -0.43 3.41 -0.75 -3.56 113.62 108.03 3h6t n SER 128 Ca 0.02 0.24 -0.12 0.00 -0.26 0.00 0.00 58.87 58.74 3h6t n SER 128 Cb 0.39 -0.40 -0.15 0.00 -0.26 0.00 0.00 64.21 63.79 3h6t n SER 128 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3h6t n LYS 129 N -1.40 0.68 -0.46 4.33 5.02 -0.82 -4.99 118.16 120.52 3h6t n LYS 129 Ca 0.08 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 3h6t n LYS 129 Cb 0.24 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 3h6t n LYS 129 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h6t n GLN 130 N -2.91 1.34 0.00 1.97 -0.00 -0.98 -5.07 117.38 111.72 3h6t n GLN 130 Ca -0.35 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.65 3h6t n GLN 130 Cb 1.11 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 31.35 3h6t n GLN 130 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 3h6t n THR 131 N -0.82 0.00 0.16 -0.39 5.66 -1.26 -4.91 114.28 112.72 3h6t n THR 131 Ca 0.00 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 61.01 3h6t n THR 131 Cb 0.00 0.07 0.29 0.00 -1.55 0.00 0.00 70.33 69.14 3h6t n THR 131 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 3h6t h GLU 132 N 0.00 0.02 -4.79 1.09 4.57 -1.97 -3.40 114.58 110.10 3h6t h GLU 132 Ca 0.00 -0.01 -0.67 0.00 -1.18 0.00 0.00 59.36 57.50 3h6t h GLU 132 Cb 0.00 -0.00 -0.20 0.00 -0.16 0.00 0.00 28.75 28.38 3h6t h GLU 132 CO 0.00 0.46 -0.53 0.42 -1.18 0.00 0.00 179.01 178.18 3h6t s ILE 133 N -4.01 4.90 0.33 2.32 1.01 -1.26 -4.84 121.20 119.64 3h6t s ILE 133 Ca -0.02 -0.24 -0.10 0.00 0.00 0.00 0.00 60.65 60.28 3h6t s ILE 133 Cb 0.14 -3.46 -0.07 0.00 0.01 0.00 0.00 42.46 39.08 3h6t s ILE 133 CO 0.74 0.10 0.68 0.00 0.00 0.00 0.00 174.94 176.46 3h6t s ALA 134 N 1.67 3.43 0.01 9.38 0.00 -0.31 -4.86 121.76 131.08 3h6t s ALA 134 Ca 0.06 -0.22 -0.06 0.00 0.00 0.00 0.00 51.96 51.73 3h6t s ALA 134 Cb -0.17 -2.59 -0.00 0.00 0.00 0.00 0.00 23.12 20.36 3h6t s ALA 134 CO 0.08 0.23 0.11 1.52 0.00 0.00 0.00 175.76 177.70 3h6t s TYR 135 N -2.11 0.09 0.11 0.00 1.13 -1.26 -0.62 117.35 114.69 3h6t s TYR 135 Ca 0.50 -0.24 -0.02 0.00 -1.41 0.00 0.00 57.07 55.89 3h6t s TYR 135 Cb -0.11 -0.08 0.01 0.00 -1.10 0.00 0.00 41.96 40.69 3h6t s TYR 135 CO 0.26 -0.29 0.18 0.41 -2.51 0.00 0.00 175.55 173.60 3h6t n GLY 136 N 1.36 2.25 1.56 5.49 0.00 -1.19 -4.78 105.19 109.88 3h6t n GLY 136 Ca -0.22 -1.25 -0.11 0.00 0.00 0.00 0.00 46.02 44.44 3h6t n GLY 136 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h6t n THR 137 N -0.16 0.00 -3.03 2.61 -2.24 -1.22 -1.72 114.28 108.52 3h6t n THR 137 Ca -0.01 -1.14 -0.36 0.00 -2.27 0.00 0.00 64.05 60.27 3h6t n THR 137 Cb 0.17 0.48 -0.06 0.00 -2.10 0.00 0.00 70.33 68.82 3h6t n THR 137 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3h6t s LEU 138 N 0.00 4.30 0.57 3.22 2.96 -1.26 -1.91 118.68 126.56 3h6t s LEU 138 Ca 0.14 1.50 -0.16 0.00 -0.22 0.00 0.00 54.13 55.38 3h6t s LEU 138 Cb 0.01 -3.75 -0.05 0.00 0.50 0.00 0.00 46.19 42.90 3h6t s LEU 138 CO 0.10 -0.02 1.05 -1.81 -1.32 0.00 0.00 176.35 174.34 3h6t s ASP 139 N -1.72 5.95 -1.03 3.68 1.01 -0.30 -3.91 116.67 120.35 3h6t s ASP 139 Ca 0.46 1.80 -0.02 0.00 0.71 0.00 0.00 52.55 55.50 3h6t s ASP 139 Cb -0.16 -2.53 0.01 0.00 1.01 0.00 0.00 42.92 41.25 3h6t s ASP 139 CO 0.21 -1.05 0.10 -1.20 0.21 0.00 0.00 175.17 173.44 3h6t n SER 140 N -1.84 -3.71 -4.68 0.27 7.64 -1.26 -4.85 113.62 105.18 3h6t n SER 140 Ca 0.09 0.10 -0.30 0.00 1.01 0.00 0.00 58.87 59.76 3h6t n SER 140 Cb 0.53 -3.15 -0.09 0.00 -1.01 0.00 0.00 64.21 60.49 3h6t n SER 140 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3h6t s GLY 141 N -2.17 2.78 0.43 0.23 0.00 -1.25 -2.94 107.32 104.39 3h6t s GLY 141 Ca 0.08 -1.28 0.23 0.00 0.00 0.00 0.00 44.72 43.75 3h6t s GLY 141 CO 0.10 -2.14 1.82 1.48 0.00 0.00 0.00 173.10 174.36 3h6t h SER 142 N 1.56 0.00 -0.37 1.64 4.64 -1.91 -2.92 113.55 116.19 3h6t h SER 142 Ca -0.44 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.79 3h6t h SER 142 Cb 1.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 3h6t h SER 142 CO 0.77 0.26 -0.15 0.74 -0.87 0.00 0.00 176.83 177.58 3h6t h THR 143 N 0.00 1.28 -0.49 2.95 2.02 -1.96 -0.09 112.91 116.63 3h6t h THR 143 Ca -0.00 -1.26 -0.04 0.00 0.77 0.00 0.00 66.41 65.88 3h6t h THR 143 Cb 0.75 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 68.46 3h6t h THR 143 CO 0.03 0.41 0.13 0.50 0.37 0.00 0.00 175.52 176.97 3h6t h LYS 144 N 0.54 0.78 -0.82 6.66 3.64 -1.73 -2.64 116.57 123.00 3h6t h LYS 144 Ca 0.09 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 3h6t h LYS 144 Cb 0.68 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.36 3h6t h LYS 144 CO 0.05 0.75 0.42 0.93 -2.27 0.00 0.00 179.45 179.32 3h6t h GLU 145 N 0.67 1.15 -0.75 1.90 4.39 -1.37 -1.96 114.58 118.60 3h6t h GLU 145 Ca 0.16 -0.15 0.13 0.00 0.34 0.00 0.00 59.36 59.84 3h6t h GLU 145 Cb 0.31 -0.22 -0.09 0.00 -0.10 0.00 0.00 28.75 28.65 3h6t h GLU 145 CO -0.00 0.87 0.33 0.35 -1.16 0.00 0.00 179.01 179.40 3h6t h PHE 146 N 1.15 0.58 -0.10 4.33 3.57 -0.64 -0.46 116.94 125.37 3h6t h PHE 146 Ca 0.28 0.03 -0.23 0.00 3.53 0.00 0.00 57.97 61.59 3h6t h PHE 146 Cb 0.07 -0.14 0.01 0.00 2.79 0.00 0.00 35.95 38.68 3h6t h PHE 146 CO 0.01 0.12 -0.84 0.74 -2.23 0.00 0.00 178.31 176.11 3h6t h PHE 147 N 0.51 1.04 0.00 0.41 0.04 -1.37 -1.98 116.94 115.59 3h6t h PHE 147 Ca 0.40 -0.50 -0.05 0.00 2.80 0.00 0.00 57.97 60.63 3h6t h PHE 147 Cb 0.56 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.55 3h6t h PHE 147 CO -0.14 1.33 -0.24 -0.09 -0.60 0.00 0.00 178.31 178.57 3h6t h ARG 148 N 0.46 0.00 -0.01 1.51 2.43 -0.78 -3.18 114.38 114.81 3h6t h ARG 148 Ca -0.08 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3h6t h ARG 148 Cb 1.48 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.03 3h6t h ARG 148 CO 0.17 0.24 -0.23 0.54 -1.51 0.00 0.00 179.97 179.18 3h6t n ARG 149 N -3.76 1.77 -1.37 0.20 1.74 -0.23 -5.01 116.66 110.00 3h6t n ARG 149 Ca -0.01 -0.77 -0.33 0.00 -0.77 0.00 0.00 57.85 55.97 3h6t n ARG 149 Cb 0.34 -1.17 0.10 0.00 -1.02 0.00 0.00 32.46 30.70 3h6t n ARG 149 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3h6t s SER 150 N -1.52 4.19 0.00 0.55 1.04 -0.75 -4.91 113.70 112.30 3h6t s SER 150 Ca 0.11 2.22 0.00 0.00 0.48 0.00 0.00 55.95 58.76 3h6t s SER 150 Cb 0.10 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.65 3h6t s SER 150 CO 0.30 -2.26 0.82 0.29 0.98 0.00 0.00 173.24 173.37 3h6t n LYS 151 N -2.96 1.87 -2.87 4.02 5.02 -1.26 -4.78 118.16 117.20 3h6t n LYS 151 Ca 0.12 -1.15 -0.43 0.00 -2.02 0.00 0.00 58.31 54.83 3h6t n LYS 151 Cb 0.51 -0.90 -0.04 0.00 -0.02 0.00 0.00 35.03 34.58 3h6t n LYS 151 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3h6t s ILE 152 N -0.67 4.43 0.01 -0.18 -1.09 -1.26 -4.96 121.20 117.49 3h6t s ILE 152 Ca 0.00 0.19 -0.03 0.00 -2.23 0.00 0.00 60.65 58.59 3h6t s ILE 152 Cb 0.00 -4.52 -0.01 0.00 -1.58 0.00 0.00 42.46 36.35 3h6t s ILE 152 CO 0.00 -1.09 0.15 0.00 -1.23 0.00 0.00 174.94 172.77 3h6t n ALA 153 N 7.35 -0.05 0.19 9.38 0.00 -1.26 0.21 120.51 136.33 3h6t n ALA 153 Ca 0.01 0.07 0.07 0.00 0.00 0.00 0.00 53.44 53.58 3h6t n ALA 153 Cb 0.47 0.00 0.57 0.00 0.00 0.00 0.00 19.45 20.50 3h6t n ALA 153 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 3h6t h VAL 154 N 0.00 1.04 0.00 0.00 3.04 -1.99 -0.43 116.25 117.91 3h6t h VAL 154 Ca 0.01 -0.11 -0.21 0.00 -1.01 0.00 0.00 66.70 65.38 3h6t h VAL 154 Cb 0.03 0.90 -0.03 0.00 -2.01 0.00 0.00 31.29 30.19 3h6t h VAL 154 CO -0.08 0.04 -1.04 -0.26 -1.01 0.00 0.00 177.57 175.23 3h6t h PHE 155 N 0.14 0.00 -0.16 3.17 0.04 -0.65 -2.93 116.94 116.56 3h6t h PHE 155 Ca 0.04 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.71 3h6t h PHE 155 Cb 0.01 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 3h6t h PHE 155 CO 0.00 0.98 -0.33 -0.44 -0.60 0.00 0.00 178.31 177.92 3h6t h ASP 156 N 0.00 0.32 -0.80 2.17 3.32 -0.71 -1.31 116.42 119.41 3h6t h ASP 156 Ca -0.03 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 56.86 3h6t h ASP 156 Cb 1.77 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 41.20 3h6t h ASP 156 CO 0.12 0.64 0.34 0.50 -1.72 0.00 0.00 179.24 179.11 3h6t h LYS 157 N 0.27 1.19 -0.18 3.56 3.64 -1.01 0.14 116.57 124.19 3h6t h LYS 157 Ca 0.03 -0.21 -0.17 0.00 -1.27 0.00 0.00 60.65 59.04 3h6t h LYS 157 Cb 0.71 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3h6t h LYS 157 CO 0.05 0.95 -0.59 0.52 -2.27 0.00 0.00 179.45 178.12 3h6t h MET 158 N 1.16 0.58 -0.11 1.90 2.86 -1.27 -2.78 114.93 117.28 3h6t h MET 158 Ca 0.27 -0.39 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 3h6t h MET 158 Cb 0.20 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.90 3h6t h MET 158 CO -0.02 1.00 0.02 2.35 1.06 0.00 0.00 176.91 181.32 3h6t h TRP 159 N 0.44 0.19 -0.87 -0.22 2.91 -0.82 0.48 115.95 118.06 3h6t h TRP 159 Ca -0.00 -0.03 0.20 0.00 1.13 0.00 0.00 58.89 60.20 3h6t h TRP 159 Cb 1.15 -0.05 -0.12 0.00 -0.51 0.00 0.00 29.16 29.63 3h6t h TRP 159 CO 0.05 0.38 0.36 1.15 -1.03 0.00 0.00 178.44 179.35 3h6t h THR 160 N -0.05 0.50 0.38 2.65 2.02 -0.69 -2.14 112.91 115.59 3h6t h THR 160 Ca 0.03 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 3h6t h THR 160 Cb 0.29 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 3h6t h THR 160 CO 0.00 0.07 -0.18 0.22 0.37 0.00 0.00 175.52 176.00 3h6t h TYR 161 N 0.40 -0.47 -0.74 3.16 3.20 -1.20 -3.34 116.97 117.98 3h6t h TYR 161 Ca 0.53 -0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.53 3h6t h TYR 161 Cb 0.96 0.16 -0.14 0.00 1.54 0.00 0.00 36.73 39.25 3h6t h TYR 161 CO -0.16 -0.29 -0.19 0.52 -1.64 0.00 0.00 178.16 176.40 3h6t h MET 162 N -1.14 -0.01 -0.00 1.82 2.86 -0.49 -1.59 114.93 116.38 3h6t h MET 162 Ca -0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3h6t h MET 162 Cb 0.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.06 3h6t h MET 162 CO 0.09 -0.01 -0.00 2.89 1.06 0.00 0.00 176.91 180.94 3h6t n ARG 163 N -5.49 0.75 -0.02 1.72 0.00 -0.84 -3.02 116.66 109.76 3h6t n ARG 163 Ca 0.10 -0.02 0.03 0.00 -0.00 0.00 0.00 57.85 57.96 3h6t n ARG 163 Cb 0.38 -1.50 0.03 0.00 -0.00 0.00 0.00 32.46 31.37 3h6t n ARG 163 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 3h6t n SER 164 N -1.11 1.66 -4.79 2.89 7.64 -0.68 -5.03 113.62 114.20 3h6t n SER 164 Ca 0.19 -1.40 -0.36 0.00 1.01 0.00 0.00 58.87 58.31 3h6t n SER 164 Cb 0.17 -0.02 -0.06 0.00 -1.01 0.00 0.00 64.21 63.29 3h6t n SER 164 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3h6t s ALA 165 N -0.56 3.17 -0.06 -0.43 0.00 -0.71 -5.07 121.76 118.09 3h6t s ALA 165 Ca 0.07 0.54 -0.05 0.00 0.00 0.00 0.00 51.96 52.52 3h6t s ALA 165 Cb 0.05 -3.19 0.02 0.00 0.00 0.00 0.00 23.12 19.99 3h6t s ALA 165 CO 0.07 0.10 0.15 -1.83 0.00 0.00 0.00 175.76 174.25 3h6t s GLU 166 N -2.28 0.16 0.81 0.00 -1.05 -1.26 -3.70 118.70 111.39 3h6t s GLU 166 Ca 0.53 0.24 -0.12 0.00 -0.15 0.00 0.00 54.97 55.47 3h6t s GLU 166 Cb -0.18 0.04 0.09 0.00 -0.44 0.00 0.00 34.13 33.64 3h6t s GLU 166 CO 0.23 -0.05 1.16 -1.25 0.95 0.00 0.00 175.26 176.30 3h6t s PRO 167 N 0.28 1.69 0.20 -4.83 0.04 -1.26 -5.08 135.00 126.04 3h6t s PRO 167 Ca -0.02 1.56 -0.29 0.00 0.04 0.00 0.00 61.00 62.29 3h6t s PRO 167 Cb -0.03 -1.80 -0.17 0.00 0.04 0.00 0.00 34.50 32.54 3h6t s PRO 167 CO -0.01 -2.13 0.67 0.45 0.04 0.00 0.00 177.00 176.02 3h6t n SER 168 N -3.50 -0.63 -1.01 6.66 2.88 -1.24 -4.89 113.62 111.89 3h6t n SER 168 Ca 0.12 1.14 0.12 0.00 -1.33 0.00 0.00 58.87 58.92 3h6t n SER 168 Cb 0.52 -1.02 0.14 0.00 -0.75 0.00 0.00 64.21 63.10 3h6t n SER 168 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3h6t n VAL 169 N 0.21 0.19 -3.43 2.46 0.24 -1.26 -4.95 118.33 111.78 3h6t n VAL 169 Ca 0.17 -0.59 -0.29 0.00 -2.04 0.00 0.00 64.34 61.58 3h6t n VAL 169 Cb 0.25 1.30 -0.04 0.00 -1.47 0.00 0.00 33.84 33.88 3h6t n VAL 169 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3h6t s PHE 170 N -1.77 3.47 0.16 6.34 0.08 -1.26 -3.41 117.98 121.59 3h6t s PHE 170 Ca 0.31 0.64 0.06 0.00 0.12 0.00 0.00 56.93 58.06 3h6t s PHE 170 Cb 0.21 -2.09 -0.04 0.00 -0.57 0.00 0.00 43.02 40.52 3h6t s PHE 170 CO 0.30 0.24 -0.13 0.14 -0.10 0.00 0.00 175.22 175.67 3h6t s VAL 171 N -1.96 1.41 0.13 -0.44 -7.23 -0.80 -4.95 120.40 106.54 3h6t s VAL 171 Ca 0.44 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.58 3h6t s VAL 171 Cb -0.11 -1.81 -0.20 0.00 0.56 0.00 0.00 36.38 34.82 3h6t s VAL 171 CO 0.28 -0.59 1.29 0.03 -0.31 0.00 0.00 175.10 175.79 3h6t h ARG 172 N 2.94 0.30 -4.16 4.82 3.08 -1.94 -0.79 114.38 118.63 3h6t h ARG 172 Ca -0.38 -0.37 -0.13 0.00 0.07 0.00 0.00 59.98 59.18 3h6t h ARG 172 Cb 1.20 0.11 -0.16 0.00 0.08 0.00 0.00 29.97 31.21 3h6t h ARG 172 CO 0.59 1.08 -0.66 0.95 -1.07 0.00 0.00 179.97 180.86 3h6t s THR 173 N -3.09 0.20 0.20 2.04 -4.23 -1.26 -4.70 115.64 104.79 3h6t s THR 173 Ca -0.04 -1.61 -0.10 0.00 -1.18 0.00 0.00 61.69 58.75 3h6t s THR 173 Cb 0.09 -1.29 0.12 0.00 1.34 0.00 0.00 72.50 72.76 3h6t s THR 173 CO 0.86 -0.89 1.77 0.74 -0.54 0.00 0.00 174.62 176.56 3h6t h THR 174 N 3.38 0.87 -0.71 3.99 2.02 -1.97 -0.58 112.91 119.91 3h6t h THR 174 Ca -0.34 -0.17 0.07 0.00 0.77 0.00 0.00 66.41 66.74 3h6t h THR 174 Cb 1.16 0.33 -0.04 0.00 -1.74 0.00 0.00 68.15 67.85 3h6t h THR 174 CO 0.61 0.09 0.47 0.00 0.37 0.00 0.00 175.52 177.06 3h6t h ALA 175 N 1.36 1.73 -0.30 6.16 0.00 -1.98 -0.20 119.26 126.03 3h6t h ALA 175 Ca 0.28 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 3h6t h ALA 175 Cb 0.27 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3h6t h ALA 175 CO -0.23 0.15 0.04 1.49 0.00 0.00 0.00 179.25 180.70 3h6t h GLU 176 N 0.72 0.50 -0.32 0.00 4.81 -1.53 -1.58 114.58 117.17 3h6t h GLU 176 Ca 0.31 -0.14 -0.06 0.00 -0.13 0.00 0.00 59.36 59.33 3h6t h GLU 176 Cb 0.28 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 3h6t h GLU 176 CO -0.10 0.61 -0.07 0.78 -0.73 0.00 0.00 179.01 179.49 3h6t h GLY 177 N 0.32 0.57 0.95 1.92 0.00 -0.59 -1.70 103.07 104.54 3h6t h GLY 177 Ca 0.09 -0.37 -0.08 0.00 0.00 0.00 0.00 47.33 46.97 3h6t h GLY 177 CO 0.01 0.35 -0.08 -2.08 0.00 0.00 0.00 176.54 174.73 3h6t h VAL 178 N 0.50 1.28 -0.53 4.60 2.07 -0.87 -2.39 116.25 120.90 3h6t h VAL 178 Ca 0.10 -1.15 -0.09 0.00 0.82 0.00 0.00 66.70 66.38 3h6t h VAL 178 Cb 0.44 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 3h6t h VAL 178 CO 0.02 0.38 -0.03 0.00 0.02 0.00 0.00 177.57 177.96 3h6t h ALA 179 N 0.83 0.94 -0.58 1.67 0.00 -1.10 -2.01 119.26 119.00 3h6t h ALA 179 Ca 0.09 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3h6t h ALA 179 Cb 0.59 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3h6t h ALA 179 CO 0.03 0.63 0.24 -0.09 0.00 0.00 0.00 179.25 180.07 3h6t h ARG 180 N 0.85 0.84 -0.24 0.00 2.43 -1.17 0.08 114.38 117.17 3h6t h ARG 180 Ca 0.15 -0.12 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 3h6t h ARG 180 Cb 0.54 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 3h6t h ARG 180 CO 0.03 0.68 -0.02 0.28 -1.51 0.00 0.00 179.97 179.43 3h6t h VAL 181 N 0.83 1.27 -0.18 0.20 2.07 -1.06 -2.34 116.25 117.04 3h6t h VAL 181 Ca 0.20 -0.97 -0.05 0.00 0.82 0.00 0.00 66.70 66.70 3h6t h VAL 181 Cb 0.15 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 3h6t h VAL 181 CO -0.02 0.30 -0.13 0.03 0.02 0.00 0.00 177.57 177.77 3h6t h ARG 182 N 0.19 0.29 -0.02 1.57 3.08 -0.78 -3.11 114.38 115.59 3h6t h ARG 182 Ca 0.06 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3h6t h ARG 182 Cb 0.46 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.47 3h6t h ARG 182 CO 0.02 0.42 -0.21 0.36 -1.07 0.00 0.00 179.97 179.49 3h6t n LYS 183 N -4.26 1.59 -0.72 0.04 2.85 -0.04 -4.40 118.16 113.22 3h6t n LYS 183 Ca -0.00 -1.22 0.09 0.00 -1.05 0.00 0.00 58.31 56.12 3h6t n LYS 183 Cb 0.28 -1.47 0.38 0.00 -0.65 0.00 0.00 35.03 33.56 3h6t n LYS 183 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 3h6t n SER 184 N 0.36 5.16 -3.68 -5.58 7.64 -0.89 -4.97 113.62 111.66 3h6t n SER 184 Ca 0.13 -2.62 -0.28 0.00 1.01 0.00 0.00 58.87 57.11 3h6t n SER 184 Cb 0.48 -0.62 -0.01 0.00 -1.01 0.00 0.00 64.21 63.04 3h6t n SER 184 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3h6t n LYS 185 N 0.98 -3.28 -0.82 1.43 5.02 -1.26 -1.10 118.16 119.13 3h6t n LYS 185 Ca 0.27 0.41 0.00 0.00 -2.02 0.00 0.00 58.31 56.97 3h6t n LYS 185 Cb 1.01 -5.12 0.00 0.00 -0.02 0.00 0.00 35.03 30.89 3h6t n LYS 185 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h6t n GLY 186 N -1.23 0.56 1.18 0.72 0.00 -1.26 -4.91 105.19 100.25 3h6t n GLY 186 Ca 0.03 -0.23 0.10 0.00 0.00 0.00 0.00 46.02 45.91 3h6t n GLY 186 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h6t n LYS 187 N -2.82 2.88 -3.67 1.61 4.76 -0.25 -4.82 118.16 115.85 3h6t n LYS 187 Ca 0.00 -2.53 -0.13 0.00 -2.87 0.00 0.00 58.31 52.78 3h6t n LYS 187 Cb 0.00 -1.53 -0.13 0.00 -1.84 0.00 0.00 35.03 31.54 3h6t n LYS 187 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 3h6t s TYR 188 N -1.12 -0.47 0.02 2.13 5.04 -1.26 -1.16 117.35 120.52 3h6t s TYR 188 Ca 0.42 1.04 0.02 0.00 -2.44 0.00 0.00 57.07 56.12 3h6t s TYR 188 Cb 0.23 0.02 -0.04 0.00 0.35 0.00 0.00 41.96 42.52 3h6t s TYR 188 CO 0.27 -0.37 -0.01 0.00 -1.34 0.00 0.00 175.55 174.11 3h6t s ALA 189 N 2.38 3.26 -0.15 3.97 0.00 0.21 -4.61 121.76 126.82 3h6t s ALA 189 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.98 3h6t s ALA 189 Cb -0.12 -1.29 -0.00 0.00 0.00 0.00 0.00 23.12 21.71 3h6t s ALA 189 CO -0.09 0.65 -0.16 -0.47 0.00 0.00 0.00 175.76 175.70 3h6t s TYR 190 N -1.12 2.77 -0.46 0.00 5.04 -0.26 -3.15 117.35 120.18 3h6t s TYR 190 Ca 0.20 -1.03 -0.21 0.00 -2.44 0.00 0.00 57.07 53.59 3h6t s TYR 190 Cb -0.11 -1.88 0.03 0.00 0.35 0.00 0.00 41.96 40.35 3h6t s TYR 190 CO 0.11 -0.47 0.69 -0.51 -1.34 0.00 0.00 175.55 174.04 3h6t s LEU 191 N 0.79 4.51 0.17 6.97 1.43 -0.70 -0.51 118.68 131.33 3h6t s LEU 191 Ca -0.06 -0.41 -0.07 0.00 -1.03 0.00 0.00 54.13 52.57 3h6t s LEU 191 Cb -0.15 -2.72 -0.02 0.00 0.03 0.00 0.00 46.19 43.32 3h6t s LEU 191 CO 0.00 -0.86 0.24 -1.48 0.23 0.00 0.00 176.35 174.48 3h6t s LEU 192 N 2.97 1.11 0.36 1.79 2.34 -0.81 -4.44 118.68 121.98 3h6t s LEU 192 Ca 0.23 -0.99 -0.28 0.00 0.06 0.00 0.00 54.13 53.14 3h6t s LEU 192 Cb -0.14 0.97 -0.11 0.00 -0.56 0.00 0.00 46.19 46.35 3h6t s LEU 192 CO 0.18 -0.87 1.45 -1.61 -1.06 0.00 0.00 176.35 174.44 3h6t s GLU 193 N -4.01 4.17 0.38 1.48 2.02 -1.26 -0.42 118.70 121.07 3h6t s GLU 193 Ca 0.21 2.48 0.12 0.00 0.02 0.00 0.00 54.97 57.80 3h6t s GLU 193 Cb 0.04 -3.00 0.91 0.00 0.10 0.00 0.00 34.13 32.18 3h6t s GLU 193 CO 0.02 -0.46 1.86 0.66 0.02 0.00 0.00 175.26 177.37 3h6t h SER 194 N 3.30 0.57 -0.68 -0.19 4.64 -0.82 -1.62 113.55 118.75 3h6t h SER 194 Ca -0.50 0.04 0.02 0.00 -0.47 0.00 0.00 61.79 60.89 3h6t h SER 194 Cb 1.23 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 63.22 3h6t h SER 194 CO 0.66 0.26 0.43 0.71 -0.87 0.00 0.00 176.83 178.03 3h6t h THR 195 N 0.59 1.12 -0.03 2.95 1.35 -1.84 0.20 112.91 117.24 3h6t h THR 195 Ca 0.46 -0.29 -0.21 0.00 -0.55 0.00 0.00 66.41 65.81 3h6t h THR 195 Cb 0.88 0.19 -0.00 0.00 -1.73 0.00 0.00 68.15 67.48 3h6t h THR 195 CO -0.20 0.16 -0.86 0.24 -0.25 0.00 0.00 175.52 174.60 3h6t h MET 196 N 0.86 0.41 -0.29 4.72 2.86 -1.70 -2.59 114.93 119.19 3h6t h MET 196 Ca 0.26 -0.40 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 3h6t h MET 196 Cb -0.03 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 3h6t h MET 196 CO -0.09 1.06 0.16 -0.97 1.06 0.00 0.00 176.91 178.13 3h6t h ASN 197 N 0.25 0.36 -0.04 1.22 -0.73 -0.96 -2.12 115.58 113.56 3h6t h ASN 197 Ca -0.06 -0.08 -0.08 0.00 1.87 0.00 0.00 56.30 57.94 3h6t h ASN 197 Cb 1.48 -0.09 -0.01 0.00 0.27 0.00 0.00 38.32 39.96 3h6t h ASN 197 CO 0.15 0.34 -0.22 -0.33 -0.37 0.00 0.00 177.43 177.00 3h6t h GLU 198 N 0.36 0.43 0.20 6.67 5.08 -0.98 -2.16 114.58 124.18 3h6t h GLU 198 Ca 0.10 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3h6t h GLU 198 Cb 0.05 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3h6t h GLU 198 CO -0.02 0.63 -0.10 -0.92 -1.00 0.00 0.00 179.01 177.61 3h6t h TYR 199 N 0.39 -0.25 -0.04 4.33 3.20 -1.15 -2.96 116.97 120.50 3h6t h TYR 199 Ca 0.06 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 3h6t h TYR 199 Cb 0.60 0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.95 3h6t h TYR 199 CO 0.02 0.02 -0.05 0.82 -1.64 0.00 0.00 178.16 177.33 3h6t h ILE 200 N -0.50 1.06 0.00 1.81 1.08 -1.33 -1.92 117.51 117.71 3h6t h ILE 200 Ca -0.03 -0.27 -0.03 0.00 -0.39 0.00 0.00 64.86 64.14 3h6t h ILE 200 Cb 0.38 1.09 -0.00 0.00 -3.07 0.00 0.00 36.82 35.21 3h6t h ILE 200 CO 0.04 0.08 -0.15 -0.08 -0.69 0.00 0.00 178.15 177.35 3h6t h GLU 201 N 0.05 0.00 -0.76 2.37 4.81 -1.23 -2.07 114.58 117.75 3h6t h GLU 201 Ca 0.01 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.05 3h6t h GLU 201 Cb 0.12 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.39 3h6t h GLU 201 CO 0.01 0.15 0.24 1.04 -0.73 0.00 0.00 179.01 179.72 3h6t n GLN 202 N -4.24 3.69 -4.56 1.92 1.13 -0.72 -4.80 117.38 109.80 3h6t n GLN 202 Ca -0.02 -2.90 -0.26 0.00 -1.94 0.00 0.00 57.00 51.87 3h6t n GLN 202 Cb 0.22 -2.18 -0.14 0.00 0.11 0.00 0.00 30.24 28.26 3h6t n GLN 202 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3h6t s ARG 203 N -2.83 1.39 0.57 -1.09 0.52 -0.78 -0.88 118.95 115.85 3h6t s ARG 203 Ca 0.52 -1.08 -0.21 0.00 -0.52 0.00 0.00 55.73 54.44 3h6t s ARG 203 Cb 0.41 -1.61 -0.04 0.00 0.52 0.00 0.00 34.95 34.23 3h6t s ARG 203 CO 0.13 0.40 1.35 0.15 0.02 0.00 0.00 175.30 177.35 3h6t s LYS 204 N -1.50 3.02 -0.04 3.54 1.02 -1.26 -0.32 119.74 124.20 3h6t s LYS 204 Ca 0.09 2.22 0.02 0.00 0.02 0.00 0.00 55.97 58.32 3h6t s LYS 204 Cb -0.09 -2.18 0.14 0.00 -0.52 0.00 0.00 37.83 35.17 3h6t s LYS 204 CO 0.03 -1.28 0.74 -0.35 -0.92 0.00 0.00 175.35 173.57 3h6t n PRO 205 N -1.20 1.63 -3.77 -1.68 -0.04 -1.26 -4.94 135.00 123.74 3h6t n PRO 205 Ca 0.11 -0.53 -0.25 0.00 -0.04 0.00 0.00 63.50 62.79 3h6t n PRO 205 Cb 0.45 -1.59 0.04 0.00 -0.04 0.00 0.00 33.50 32.36 3h6t n PRO 205 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h6t n ASP 207 N -2.95 2.41 -4.52 0.00 5.75 -1.26 -5.00 116.55 110.97 3h6t n ASP 207 Ca -0.11 -1.70 -0.25 0.00 -0.01 0.00 0.00 54.79 52.73 3h6t n ASP 207 Cb 0.59 -0.10 -0.10 0.00 -1.03 0.00 0.00 41.12 40.49 3h6t n ASP 207 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3h6t s THR 208 N -1.02 2.45 0.01 2.12 -4.23 -1.26 -1.61 115.64 112.10 3h6t s THR 208 Ca 0.19 -2.28 -0.28 0.00 -1.18 0.00 0.00 61.69 58.14 3h6t s THR 208 Cb 0.11 -2.49 0.08 0.00 1.34 0.00 0.00 72.50 71.54 3h6t s THR 208 CO 0.16 -0.31 0.73 0.00 -0.54 0.00 0.00 174.62 174.66 3h6t s MET 209 N -3.57 1.03 -0.06 3.99 0.23 -0.97 -4.69 119.30 115.27 3h6t s MET 209 Ca 0.31 -0.09 -0.17 0.00 -1.03 0.00 0.00 55.69 54.71 3h6t s MET 209 Cb -0.02 0.48 -0.05 0.00 -1.53 0.00 0.00 34.83 33.71 3h6t s MET 209 CO 0.16 -0.39 0.46 0.21 -2.03 0.00 0.00 175.02 173.42 3h6t s LYS 210 N -2.36 4.18 0.06 3.16 2.20 -1.26 -2.13 119.74 123.59 3h6t s LYS 210 Ca -0.03 0.45 0.07 0.00 -0.36 0.00 0.00 55.97 56.10 3h6t s LYS 210 Cb -0.01 -3.34 -0.03 0.00 -1.51 0.00 0.00 37.83 32.95 3h6t s LYS 210 CO -0.02 0.40 -0.18 0.14 -0.36 0.00 0.00 175.35 175.32 3h6t s VAL 211 N -0.16 1.48 0.02 4.02 -7.23 -1.00 -5.02 120.40 112.51 3h6t s VAL 211 Ca 0.25 -1.26 0.00 0.00 -1.81 0.00 0.00 61.98 59.16 3h6t s VAL 211 Cb -0.16 -1.33 0.00 0.00 0.56 0.00 0.00 36.38 35.45 3h6t s VAL 211 CO 0.12 0.03 0.00 0.61 -0.31 0.00 0.00 175.10 175.55 3h6t n GLY 212 N 1.58 -2.22 3.97 2.32 0.00 -1.25 -4.27 105.19 105.32 3h6t n GLY 212 Ca -0.18 -1.50 -0.22 0.00 0.00 0.00 0.00 46.02 44.12 3h6t n GLY 212 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h6t s GLY 213 N -2.29 1.81 0.52 -0.02 0.00 -1.26 -4.95 107.32 101.12 3h6t s GLY 213 Ca 0.00 -1.27 -0.18 0.00 0.00 0.00 0.00 44.72 43.27 3h6t s GLY 213 CO 0.00 -0.96 1.03 -1.31 0.00 0.00 0.00 173.10 171.85 3h6t s ASN 214 N -4.45 6.26 0.36 1.64 0.01 -1.26 -4.81 114.94 112.69 3h6t s ASN 214 Ca 0.58 1.81 0.20 0.00 -0.71 0.00 0.00 52.86 54.74 3h6t s ASN 214 Cb -0.10 -2.54 0.22 0.00 0.41 0.00 0.00 41.25 39.24 3h6t s ASN 214 CO 0.40 -0.84 1.49 -0.07 -1.51 0.00 0.00 177.10 176.57 3h6t h LEU 215 N 1.11 0.00 0.00 0.60 4.07 -0.90 -3.48 115.31 116.72 3h6t h LEU 215 Ca -0.48 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.36 3h6t h LEU 215 Cb 1.21 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.93 3h6t h LEU 215 CO 0.59 0.16 0.05 -0.90 -1.08 0.00 0.00 178.44 177.27 3h6t n ASP 216 N -3.09 -1.45 -3.77 -0.43 5.75 -1.26 -4.94 116.55 107.35 3h6t n ASP 216 Ca 0.03 -2.37 -0.19 0.00 -0.01 0.00 0.00 54.79 52.25 3h6t n ASP 216 Cb 0.60 2.52 -0.17 0.00 -1.03 0.00 0.00 41.12 43.04 3h6t n ASP 216 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 3h6t s SER 217 N -2.66 0.95 0.00 -1.12 0.01 -1.26 -4.26 113.70 105.36 3h6t s SER 217 Ca 0.17 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.41 3h6t s SER 217 Cb -0.02 -0.27 0.00 0.00 0.21 0.00 0.00 66.02 65.94 3h6t s SER 217 CO 0.13 -0.16 0.00 2.29 0.41 0.00 0.00 173.24 175.91 3h6t n LYS 218 N 4.70 0.00 -3.79 12.44 2.85 -0.54 -5.03 118.16 128.79 3h6t n LYS 218 Ca -0.15 0.00 -0.02 0.00 -1.05 0.00 0.00 58.31 57.08 3h6t n LYS 218 Cb 0.50 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.88 3h6t n LYS 218 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3h6t s GLY 219 N 0.00 -0.12 0.03 2.58 0.00 -1.26 -2.00 107.32 106.54 3h6t s GLY 219 Ca 0.00 0.02 -0.07 0.00 0.00 0.00 0.00 44.72 44.67 3h6t s GLY 219 CO 0.00 1.05 0.29 -0.19 0.00 0.00 0.00 173.10 174.25 3h6t s TYR 220 N -2.72 3.57 0.11 1.90 2.02 -0.28 -2.19 117.35 119.77 3h6t s TYR 220 Ca 0.16 0.59 0.04 0.00 -0.37 0.00 0.00 57.07 57.50 3h6t s TYR 220 Cb -0.01 -2.01 -0.04 0.00 -0.40 0.00 0.00 41.96 39.50 3h6t s TYR 220 CO 0.03 0.59 -0.11 0.20 -1.57 0.00 0.00 175.55 174.68 3h6t s GLY 221 N -1.77 0.96 -0.21 0.71 0.00 -0.96 -0.71 107.32 105.34 3h6t s GLY 221 Ca 0.29 -1.28 -0.24 0.00 0.00 0.00 0.00 44.72 43.49 3h6t s GLY 221 CO 0.17 -1.35 0.81 -0.42 0.00 0.00 0.00 173.10 172.31 3h6t s ILE 222 N -2.52 4.87 0.06 0.90 1.01 -1.26 -4.62 121.20 119.65 3h6t s ILE 222 Ca 0.09 1.55 0.01 0.00 0.00 0.00 0.00 60.65 62.30 3h6t s ILE 222 Cb -0.02 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.30 3h6t s ILE 222 CO 0.01 -0.01 0.14 0.00 0.00 0.00 0.00 174.94 175.08 3h6t s ALA 223 N 2.46 3.78 0.09 9.38 0.00 -1.00 -1.31 121.76 135.16 3h6t s ALA 223 Ca 0.36 -0.92 -0.03 0.00 0.00 0.00 0.00 51.96 51.37 3h6t s ALA 223 Cb -0.16 -1.63 -0.03 0.00 0.00 0.00 0.00 23.12 21.30 3h6t s ALA 223 CO 0.10 0.78 0.07 0.95 0.00 0.00 0.00 175.76 177.66 3h6t s THR 224 N -1.43 0.15 0.44 0.00 -4.23 -0.51 -0.77 115.64 109.30 3h6t s THR 224 Ca 0.31 -1.70 -0.25 0.00 -1.18 0.00 0.00 61.69 58.87 3h6t s THR 224 Cb -0.13 -1.70 -0.08 0.00 1.34 0.00 0.00 72.50 71.94 3h6t s THR 224 CO 0.24 -0.69 1.35 -2.84 -0.54 0.00 0.00 174.62 172.14 3h6t s PRO 225 N -3.96 3.74 0.06 3.99 0.02 -1.26 -1.23 135.00 136.35 3h6t s PRO 225 Ca 0.13 2.25 -0.38 0.00 0.02 0.00 0.00 61.00 63.03 3h6t s PRO 225 Cb 0.07 -2.63 -0.18 0.00 0.02 0.00 0.00 34.50 31.78 3h6t s PRO 225 CO -0.05 -0.72 1.27 1.63 -0.33 0.00 0.00 177.00 178.80 3h6t n LYS 226 N -0.18 0.84 -1.59 5.54 4.76 -1.26 -1.39 118.16 124.87 3h6t n LYS 226 Ca 0.05 0.30 -0.13 0.00 -2.87 0.00 0.00 58.31 55.66 3h6t n LYS 226 Cb 0.43 -1.91 -0.04 0.00 -1.84 0.00 0.00 35.03 31.67 3h6t n LYS 226 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3h6t n GLY 227 N 2.25 1.01 3.82 0.72 0.00 -1.26 -5.01 105.19 106.72 3h6t n GLY 227 Ca 0.19 -0.40 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 3h6t n GLY 227 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3h6t s SER 228 N -2.75 6.20 0.00 1.61 0.15 -0.49 -4.96 113.70 113.46 3h6t s SER 228 Ca 0.00 1.68 0.30 0.00 0.70 0.00 0.00 55.95 58.63 3h6t s SER 228 Cb 0.00 -2.52 1.38 0.00 -1.71 0.00 0.00 66.02 63.18 3h6t s SER 228 CO 0.00 -0.88 1.94 -1.54 1.20 0.00 0.00 173.24 173.97 3h6t n SER 229 N -1.83 0.54 0.10 5.45 3.41 -1.26 -3.66 113.62 116.36 3h6t n SER 229 Ca 0.08 -0.87 -0.20 0.00 -0.26 0.00 0.00 58.87 57.62 3h6t n SER 229 Cb 0.53 -0.04 -0.15 0.00 -0.26 0.00 0.00 64.21 64.29 3h6t n SER 229 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3h6t h LEU 230 N 0.76 0.56 -0.82 1.04 3.38 -1.96 -3.39 115.31 114.88 3h6t h LEU 230 Ca 0.00 -0.69 0.15 0.00 0.09 0.00 0.00 57.88 57.43 3h6t h LEU 230 Cb 0.29 -0.18 -0.15 0.00 0.09 0.00 0.00 40.66 40.70 3h6t h LEU 230 CO 0.00 1.56 -0.24 0.61 0.09 0.00 0.00 178.44 180.46 3h6t n GLY 231 N 1.69 -1.49 0.34 0.83 0.00 -1.24 -1.25 105.19 104.07 3h6t n GLY 231 Ca -0.16 0.89 -0.16 0.00 0.00 0.00 0.00 46.02 46.59 3h6t n GLY 231 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3h6t h ASN 232 N 0.00 -0.77 -0.72 1.61 -1.24 -1.83 -1.39 115.58 111.25 3h6t h ASN 232 Ca 0.36 0.05 -0.04 0.00 0.71 0.00 0.00 56.30 57.38 3h6t h ASN 232 Cb 0.57 0.23 -0.03 0.00 0.73 0.00 0.00 38.32 39.81 3h6t h ASN 232 CO -0.84 -0.48 0.31 0.00 -1.29 0.00 0.00 177.43 175.13 3h6t h ALA 233 N -0.29 0.93 -0.63 1.57 0.00 -1.63 -2.18 119.26 117.02 3h6t h ALA 233 Ca -0.05 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.71 3h6t h ALA 233 Cb 0.62 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3h6t h ALA 233 CO 0.05 0.53 0.39 0.28 0.00 0.00 0.00 179.25 180.50 3h6t h VAL 234 N 1.02 1.08 -0.41 0.00 2.07 -1.07 0.55 116.25 119.48 3h6t h VAL 234 Ca 0.24 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 3h6t h VAL 234 Cb 0.18 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 3h6t h VAL 234 CO -0.02 0.14 0.23 -1.13 0.02 0.00 0.00 177.57 176.81 3h6t h ASN 235 N 0.77 0.51 -0.19 0.57 -1.24 -1.01 -0.97 115.58 114.02 3h6t h ASN 235 Ca 0.25 -0.08 -0.04 0.00 0.71 0.00 0.00 56.30 57.15 3h6t h ASN 235 Cb 0.01 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 38.92 3h6t h ASN 235 CO -0.10 0.44 0.02 -0.07 -1.29 0.00 0.00 177.43 176.44 3h6t h LEU 236 N 0.54 0.39 -0.35 0.34 3.38 -0.81 -2.13 115.31 116.68 3h6t h LEU 236 Ca 0.15 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 3h6t h LEU 236 Cb 0.04 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3h6t h LEU 236 CO -0.02 0.44 -0.04 0.00 0.09 0.00 0.00 178.44 178.90 3h6t h ALA 237 N 1.62 0.47 -0.78 1.53 0.00 -0.19 -1.74 119.26 120.18 3h6t h ALA 237 Ca 0.10 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3h6t h ALA 237 Cb 0.24 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3h6t h ALA 237 CO 0.00 0.28 0.49 0.28 0.00 0.00 0.00 179.25 180.30 3h6t h VAL 238 N 0.44 1.21 -0.27 0.00 2.07 -0.79 -0.67 116.25 118.24 3h6t h VAL 238 Ca 0.09 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 3h6t h VAL 238 Cb 0.53 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 3h6t h VAL 238 CO 0.03 0.22 0.09 -0.07 0.02 0.00 0.00 177.57 177.86 3h6t h LEU 239 N 1.07 0.39 -0.54 2.57 3.38 -1.28 -0.82 115.31 120.07 3h6t h LEU 239 Ca 0.28 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3h6t h LEU 239 Cb -0.07 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3h6t h LEU 239 CO -0.06 0.47 0.28 0.50 0.09 0.00 0.00 178.44 179.73 3h6t h LYS 240 N 0.28 0.76 -0.24 1.13 3.64 -1.04 -1.40 116.57 119.71 3h6t h LYS 240 Ca 0.09 -0.10 -0.07 0.00 -1.27 0.00 0.00 60.65 59.30 3h6t h LYS 240 Cb 0.22 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 3h6t h LYS 240 CO -0.00 0.61 -0.16 -0.07 -2.27 0.00 0.00 179.45 177.55 3h6t h LEU 241 N 0.73 0.41 -0.11 5.20 3.38 -1.00 -0.95 115.31 122.96 3h6t h LEU 241 Ca 0.19 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3h6t h LEU 241 Cb 0.07 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 3h6t h LEU 241 CO -0.03 0.59 -0.10 -1.28 0.09 0.00 0.00 178.44 177.71 3h6t h SER 242 N 0.39 0.28 0.41 -0.43 0.87 -0.85 -2.03 113.55 112.18 3h6t h SER 242 Ca 0.07 -0.48 -0.06 0.00 -1.23 0.00 0.00 61.79 60.10 3h6t h SER 242 Cb 0.51 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 3h6t h SER 242 CO 0.03 0.70 -0.26 -0.33 -0.53 0.00 0.00 176.83 176.44 3h6t h GLU 243 N -0.14 0.00 -0.01 2.24 5.08 -1.08 -2.65 114.58 118.02 3h6t h GLU 243 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3h6t h GLU 243 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3h6t h GLU 243 CO 0.03 0.26 -0.04 1.04 -1.00 0.00 0.00 179.01 179.30 3h6t n GLN 244 N -3.92 1.18 -0.47 2.33 1.13 -0.38 -4.92 117.38 112.34 3h6t n GLN 244 Ca -0.02 -0.48 0.00 0.00 -1.94 0.00 0.00 57.00 54.56 3h6t n GLN 244 Cb 0.34 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.20 3h6t n GLN 244 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3h6t n GLY 245 N 1.16 1.09 0.15 1.08 0.00 -1.00 -4.96 105.19 102.71 3h6t n GLY 245 Ca 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.13 3h6t n GLY 245 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3h6t h LEU 246 N 0.00 0.22 -0.76 0.99 5.85 -1.61 -1.39 115.31 118.62 3h6t h LEU 246 Ca 0.00 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.77 3h6t h LEU 246 Cb 0.00 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 40.96 3h6t h LEU 246 CO 0.00 0.17 0.48 -0.07 -0.34 0.00 0.00 178.44 178.67 3h6t h LEU 247 N 0.32 0.78 -0.62 2.25 3.38 -1.84 -0.02 115.31 119.56 3h6t h LEU 247 Ca 0.13 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 3h6t h LEU 247 Cb 0.06 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3h6t h LEU 247 CO -0.10 0.54 0.19 -0.78 0.09 0.00 0.00 178.44 178.37 3h6t h ASP 248 N 0.92 0.91 -0.34 -0.43 3.58 -1.82 -1.65 116.42 117.59 3h6t h ASP 248 Ca 0.31 -0.21 0.01 0.00 0.42 0.00 0.00 57.03 57.56 3h6t h ASP 248 Cb 0.03 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 40.82 3h6t h ASP 248 CO -0.12 0.88 0.20 0.11 -2.88 0.00 0.00 179.24 177.43 3h6t h LYS 249 N 0.89 0.39 -0.26 0.28 1.57 -0.45 -2.28 116.57 116.71 3h6t h LYS 249 Ca 0.20 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.87 3h6t h LYS 249 Cb 0.30 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 3h6t h LYS 249 CO -0.00 0.26 -0.21 -0.07 -0.57 0.00 0.00 179.45 178.85 3h6t h LEU 250 N 0.40 0.46 -0.08 2.94 3.38 -0.84 -1.22 115.31 120.36 3h6t h LEU 250 Ca 0.14 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3h6t h LEU 250 Cb 0.01 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 3h6t h LEU 250 CO -0.07 0.69 0.04 0.50 0.09 0.00 0.00 178.44 179.69 3h6t h LYS 251 N 0.42 0.12 -0.38 1.13 1.63 -0.94 -1.82 116.57 116.72 3h6t h LYS 251 Ca 0.07 -0.01 -0.11 0.00 -0.85 0.00 0.00 60.65 59.74 3h6t h LYS 251 Cb 0.61 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.20 3h6t h LYS 251 CO 0.04 0.17 -0.21 -0.91 -3.45 0.00 0.00 179.45 175.09 3h6t h ASN 252 N 0.04 0.74 -0.49 4.20 2.35 -1.29 -0.73 115.58 120.40 3h6t h ASN 252 Ca 0.03 -0.26 0.03 0.00 -0.55 0.00 0.00 56.30 55.55 3h6t h ASN 252 Cb 0.09 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.22 3h6t h ASN 252 CO -0.00 0.94 0.28 0.50 -1.65 0.00 0.00 177.43 177.49 3h6t h LYS 253 N 0.65 0.54 0.00 0.81 3.64 -0.97 0.73 116.57 121.97 3h6t h LYS 253 Ca 0.09 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3h6t h LYS 253 Cb 0.70 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 3h6t h LYS 253 CO 0.05 0.36 -1.01 0.91 -2.27 0.00 0.00 179.45 177.49 3h6t n TRP 254 N -4.83 0.61 -0.10 1.91 7.02 -0.71 -4.19 117.44 117.14 3h6t n TRP 254 Ca 0.03 0.18 -0.19 0.00 -1.02 0.00 0.00 57.50 56.50 3h6t n TRP 254 Cb 0.09 -0.72 -0.06 0.00 -2.42 0.00 0.00 31.31 28.20 3h6t n TRP 254 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 3h6t n TRP 255 N -2.33 0.00 -0.11 -5.99 8.01 -0.29 -4.89 117.44 111.84 3h6t n TRP 255 Ca 0.01 0.00 -0.18 0.00 -1.31 0.00 0.00 57.50 56.02 3h6t n TRP 255 Cb 0.50 -0.70 -0.10 0.00 -2.01 0.00 0.00 31.31 29.00 3h6t n TRP 255 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 3h6t n TYR 256 N -4.17 0.00 -0.28 -5.99 4.01 -0.88 -4.30 117.16 105.55 3h6t n TYR 256 Ca -0.34 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.33 3h6t n TYR 256 Cb 0.69 -0.85 -0.07 0.00 -0.31 0.00 0.00 39.34 38.80 3h6t n TYR 256 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3h6t n ASP 257 N -3.35 -0.71 -2.89 7.72 9.92 0.25 -1.99 116.55 125.49 3h6t n ASP 257 Ca -0.41 1.40 -0.33 0.00 -0.53 0.00 0.00 54.79 54.92 3h6t n ASP 257 Cb 0.90 -0.26 0.00 0.00 -0.64 0.00 0.00 41.12 41.13 3h6t n ASP 257 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3h6t n LYS 258 N -4.57 3.56 -2.02 -1.24 5.02 -1.26 -5.02 118.16 112.62 3h6t n LYS 258 Ca 0.01 -4.37 -0.31 0.00 -2.02 0.00 0.00 58.31 51.62 3h6t n LYS 258 Cb 0.17 -2.29 0.00 0.00 -0.02 0.00 0.00 35.03 32.90 3h6t n LYS 258 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3h6t s GLY 259 N -2.54 1.72 -0.13 0.72 0.00 -0.84 -5.01 107.32 101.24 3h6t s GLY 259 Ca 0.48 -0.07 0.19 0.00 0.00 0.00 0.00 44.72 45.32 3h6t s GLY 259 CO -0.23 0.20 1.16 -1.84 0.00 0.00 0.00 173.10 172.39 3h6t n GLU 260 N -2.50 1.37 -1.25 2.90 0.28 -0.06 -4.61 120.64 116.77 3h6t n GLU 260 Ca 0.06 -2.60 -0.12 0.00 -0.16 0.00 0.00 57.16 54.34 3h6t n GLU 260 Cb 0.54 -1.52 0.13 0.00 1.43 0.00 0.00 31.44 32.02 3h6t n GLU 260 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97