#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3l6t h ASN -1 N 0.00 0.26 -3.95 6.43 2.35 -1.99 -3.45 115.58 115.23 3l6t h ASN -1 Ca 0.00 -0.28 -0.54 0.00 -0.55 0.00 0.00 56.30 54.93 3l6t h ASN -1 Cb 0.00 -0.07 0.10 0.00 0.05 0.00 0.00 38.32 38.40 3l6t h ASN -1 CO 0.00 0.47 0.70 0.00 -1.65 0.00 0.00 177.43 176.95 3l6t s ALA 0 N -5.09 3.39 0.10 -0.83 0.00 -1.26 -4.93 121.76 113.14 3l6t s ALA 0 Ca -0.14 1.42 -0.21 0.00 0.00 0.00 0.00 51.96 53.03 3l6t s ALA 0 Cb 0.06 -3.56 -0.10 0.00 0.00 0.00 0.00 23.12 19.52 3l6t s ALA 0 CO 0.71 -0.99 1.74 1.98 0.00 0.00 0.00 175.76 179.21 3l6t h MET 1 N 2.76 0.16 -3.79 0.00 4.05 -1.87 -3.36 114.93 112.89 3l6t h MET 1 Ca -0.50 -0.01 -0.43 0.00 -0.28 0.00 0.00 59.70 58.48 3l6t h MET 1 Cb 1.25 -0.04 -0.37 0.00 -0.80 0.00 0.00 31.60 31.64 3l6t h MET 1 CO 0.63 0.13 -0.77 -1.17 0.23 0.00 0.00 176.91 175.96 3l6t s LEU 2 N -10.14 0.81 -0.04 3.39 2.96 -1.26 -1.14 118.68 113.27 3l6t s LEU 2 Ca -0.13 -0.10 0.01 0.00 -0.22 0.00 0.00 54.13 53.69 3l6t s LEU 2 Cb 0.07 -0.44 -0.03 0.00 0.50 0.00 0.00 46.19 46.29 3l6t s LEU 2 CO 0.68 -0.15 -0.03 -1.81 -1.32 0.00 0.00 176.35 173.72 3l6t s ASP 3 N 1.66 4.95 -0.20 3.68 1.01 -0.31 -4.94 116.67 122.53 3l6t s ASP 3 Ca 0.00 0.01 0.01 0.00 0.71 0.00 0.00 52.55 53.29 3l6t s ASP 3 Cb -0.13 -1.29 0.03 0.00 1.01 0.00 0.00 42.92 42.54 3l6t s ASP 3 CO -0.04 0.33 -0.16 -0.63 0.21 0.00 0.00 175.17 174.88 3l6t s ILE 4 N -0.94 1.94 -0.13 0.77 1.01 -1.26 0.07 121.20 122.65 3l6t s ILE 4 Ca 0.16 -1.05 0.02 0.00 0.00 0.00 0.00 60.65 59.78 3l6t s ILE 4 Cb -0.11 -1.87 0.01 0.00 0.01 0.00 0.00 42.46 40.49 3l6t s ILE 4 CO 0.05 0.35 -0.21 -0.89 0.00 0.00 0.00 174.94 174.24 3l6t s THR 5 N 1.30 2.15 0.03 2.92 2.01 -0.01 -4.94 115.64 119.09 3l6t s THR 5 Ca 0.01 -0.96 -0.30 0.00 0.31 0.00 0.00 61.69 60.75 3l6t s THR 5 Cb -0.15 -1.86 -0.05 0.00 0.01 0.00 0.00 72.50 70.46 3l6t s THR 5 CO -0.10 0.55 1.14 -0.89 -0.69 0.00 0.00 174.62 174.63 3l6t s THR 6 N 0.72 4.28 -0.17 -0.82 2.01 -1.26 -0.30 115.64 120.11 3l6t s THR 6 Ca -0.09 1.63 -0.05 0.00 0.31 0.00 0.00 61.69 63.50 3l6t s THR 6 Cb -0.16 -4.05 -0.03 0.00 0.01 0.00 0.00 72.50 68.27 3l6t s THR 6 CO 0.00 0.11 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.40 3l6t s ILE 7 N 1.21 4.11 0.35 1.82 1.01 -0.07 -4.95 121.20 124.67 3l6t s ILE 7 Ca 0.57 -0.28 0.04 0.00 0.00 0.00 0.00 60.65 60.97 3l6t s ILE 7 Cb -0.27 -2.82 -0.05 0.00 0.01 0.00 0.00 42.46 39.33 3l6t s ILE 7 CO 0.28 0.47 0.07 0.42 0.00 0.00 0.00 174.94 176.18 3l6t s THR 8 N 0.47 1.05 0.59 2.92 -4.23 -1.26 0.10 115.64 115.28 3l6t s THR 8 Ca -0.02 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 58.78 3l6t s THR 8 Cb -0.14 -2.68 0.37 0.00 1.34 0.00 0.00 72.50 71.39 3l6t s THR 8 CO 0.02 0.00 1.98 0.03 -0.54 0.00 0.00 174.62 176.11 3l6t h ARG 9 N 2.03 0.00 0.00 3.99 3.08 -1.72 0.34 114.38 122.09 3l6t h ARG 9 Ca -0.40 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.57 3l6t h ARG 9 Cb 1.25 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.29 3l6t h ARG 9 CO 0.67 0.00 -0.40 0.37 -1.07 0.00 0.00 179.97 179.54 3l6t h GLN 10 N 0.00 0.00 0.00 0.04 4.15 -1.94 -3.32 115.11 114.05 3l6t h GLN 10 Ca 0.16 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.58 3l6t h GLN 10 Cb 0.89 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.58 3l6t h GLN 10 CO -0.00 0.40 0.00 0.27 -1.93 0.00 0.00 178.83 177.57 3l6t n ASN 11 N -3.79 1.04 -0.13 -0.69 0.23 -0.22 -4.70 115.26 107.00 3l6t n ASN 11 Ca -0.01 -1.39 -0.04 0.00 -0.53 0.00 0.00 54.58 52.60 3l6t n ASN 11 Cb 0.47 0.00 0.15 0.00 -2.08 0.00 0.00 39.78 38.32 3l6t n ASN 11 CO 0.00 0.00 0.00 -0.37 -0.93 0.00 0.00 177.26 175.96 3l6t h VAL 12 N 0.77 1.24 -1.09 3.53 -1.51 -0.51 -3.36 116.25 115.32 3l6t h VAL 12 Ca 0.00 -0.97 -0.35 0.00 -1.23 0.00 0.00 66.70 64.15 3l6t h VAL 12 Cb 0.48 0.81 -0.04 0.00 -2.13 0.00 0.00 31.29 30.40 3l6t h VAL 12 CO 0.00 0.35 0.92 -0.89 -1.23 0.00 0.00 177.57 176.71 3l6t s THR 13 N -5.06 3.41 0.00 7.19 2.01 -1.26 -2.46 115.64 119.48 3l6t s THR 13 Ca -0.10 -0.20 0.00 0.00 0.31 0.00 0.00 61.69 61.71 3l6t s THR 13 Cb 0.15 -3.97 0.00 0.00 0.01 0.00 0.00 72.50 68.68 3l6t s THR 13 CO 0.81 -0.92 0.00 -1.54 -0.69 0.00 0.00 174.62 172.28 3l6t n SER 14 N 13.66 0.00 -3.47 3.53 3.41 -1.26 -4.98 113.62 124.50 3l6t n SER 14 Ca 0.34 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.58 3l6t n SER 14 Cb 0.48 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.41 3l6t n SER 14 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3l6t n VAL 15 N 0.00 3.23 -3.15 -3.33 0.24 -1.03 -5.24 118.33 109.05 3l6t n VAL 15 Ca 0.00 -2.32 0.06 0.00 -2.04 0.00 0.00 64.34 60.04 3l6t n VAL 15 Cb 0.00 -2.47 -0.00 0.00 -1.47 0.00 0.00 33.84 29.90 3l6t n VAL 15 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 3l6t s VAL 16 N 3.24 -0.13 0.00 3.34 -7.23 -1.25 -4.94 120.40 113.42 3l6t s VAL 16 Ca 0.54 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.71 3l6t s VAL 16 Cb 0.15 -0.32 0.00 0.00 0.56 0.00 0.00 36.38 36.77 3l6t s VAL 16 CO -0.03 0.00 0.00 0.49 -0.31 0.00 0.00 175.10 175.25 3l6t n PHE 33 N 5.15 0.00 -4.31 2.82 3.01 -1.26 -5.12 117.46 117.75 3l6t n PHE 33 Ca 0.06 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.34 3l6t n PHE 33 Cb 0.58 -0.91 -0.10 0.00 -0.01 0.00 0.00 39.48 39.04 3l6t n PHE 33 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3l6t s THR 34 N -1.46 1.57 -0.08 4.37 -4.23 -1.26 -0.21 115.64 114.34 3l6t s THR 34 Ca 0.00 -2.07 -0.28 0.00 -1.18 0.00 0.00 61.69 58.15 3l6t s THR 34 Cb 0.00 -1.90 0.06 0.00 1.34 0.00 0.00 72.50 72.00 3l6t s THR 34 CO 0.00 -0.57 0.65 -0.94 -0.54 0.00 0.00 174.62 173.22 3l6t s SER 35 N -3.08 -0.62 0.10 3.99 1.04 -1.02 -4.47 113.70 109.63 3l6t s SER 35 Ca 0.18 0.77 -0.23 0.00 0.48 0.00 0.00 55.95 57.15 3l6t s SER 35 Cb -0.01 0.66 -0.07 0.00 0.10 0.00 0.00 66.02 66.70 3l6t s SER 35 CO 0.05 -0.53 0.69 0.26 0.98 0.00 0.00 173.24 174.69 3l6t s TRP 36 N -0.94 3.83 0.07 5.02 0.52 -0.71 -0.81 118.94 125.93 3l6t s TRP 36 Ca -0.09 1.46 -0.02 0.00 0.02 0.00 0.00 56.10 57.46 3l6t s TRP 36 Cb -0.01 -2.68 -0.03 0.00 -1.15 0.00 0.00 33.47 29.60 3l6t s TRP 36 CO 0.08 0.49 0.02 -0.65 0.02 0.00 0.00 176.95 176.91 3l6t s GLN 37 N -0.88 0.72 0.00 4.98 -0.21 0.11 -4.60 119.66 119.77 3l6t s GLN 37 Ca 0.34 -1.23 0.00 0.00 0.02 0.00 0.00 55.36 54.49 3l6t s GLN 37 Cb -0.21 0.24 0.00 0.00 1.00 0.00 0.00 33.01 34.04 3l6t s GLN 37 CO 0.23 -0.17 0.00 0.41 -2.12 0.00 0.00 175.29 173.64 3l6t n GLY 38 N 0.04 2.38 0.23 3.09 0.00 -1.26 -1.26 105.19 108.41 3l6t n GLY 38 Ca -0.12 -1.74 0.09 0.00 0.00 0.00 0.00 46.02 44.25 3l6t n GLY 38 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3l6t h THR 39 N 0.00 0.79 -0.24 2.61 1.35 -1.87 -2.03 112.91 113.52 3l6t h THR 39 Ca 0.00 -0.85 -0.08 0.00 -0.55 0.00 0.00 66.41 64.93 3l6t h THR 39 Cb 0.00 1.51 -0.01 0.00 -1.73 0.00 0.00 68.15 67.93 3l6t h THR 39 CO 0.00 0.21 -0.16 1.23 -0.25 0.00 0.00 175.52 176.55 3l6t h GLY 40 N 1.12 0.58 0.65 5.82 0.00 -1.46 -0.94 103.07 108.83 3l6t h GLY 40 Ca -0.00 -0.54 0.03 0.00 0.00 0.00 0.00 47.33 46.82 3l6t h GLY 40 CO 0.03 0.49 -0.05 0.00 0.00 0.00 0.00 176.54 177.01 3l6t h ALA 41 N 0.70 0.11 -0.76 3.60 0.00 -1.26 -1.16 119.26 120.49 3l6t h ALA 41 Ca 0.05 0.07 0.17 0.00 0.00 0.00 0.00 54.91 55.19 3l6t h ALA 41 Cb 0.68 0.14 -0.11 0.00 0.00 0.00 0.00 17.79 18.50 3l6t h ALA 41 CO 0.04 -0.49 0.21 1.49 0.00 0.00 0.00 179.25 180.51 3l6t h GLU 42 N -0.01 0.28 -0.01 0.00 4.81 -1.26 0.52 114.58 118.91 3l6t h GLU 42 Ca 0.08 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 3l6t h GLU 42 Cb 0.14 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 3l6t h GLU 42 CO -0.18 0.19 -0.20 0.00 -0.73 0.00 0.00 179.01 178.08 3l6t h ALA 43 N 1.62 1.64 -0.21 2.92 0.00 -0.03 -0.80 119.26 124.40 3l6t h ALA 43 Ca 0.43 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3l6t h ALA 43 Cb 0.75 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3l6t h ALA 43 CO -0.51 0.27 0.00 1.28 0.00 0.00 0.00 179.25 180.29 3l6t n LEU 44 N -4.29 1.63 -2.79 0.00 4.77 0.03 -4.91 117.00 111.44 3l6t n LEU 44 Ca -0.02 -0.73 -0.17 0.00 -0.03 0.00 0.00 56.01 55.06 3l6t n LEU 44 Cb 0.27 -0.14 0.06 0.00 -2.33 0.00 0.00 43.42 41.28 3l6t n LEU 44 CO 0.37 0.36 0.17 0.61 -1.33 0.00 0.00 177.39 177.57 3l6t n GLY 45 N 1.09 -0.15 3.51 -0.72 0.00 -0.30 -5.02 105.19 103.59 3l6t n GLY 45 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 3l6t n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3l6t s LEU 46 N -5.58 3.30 0.14 0.99 1.43 -0.38 -5.01 118.68 113.57 3l6t s LEU 46 Ca 0.35 -0.11 -0.18 0.00 -1.03 0.00 0.00 54.13 53.17 3l6t s LEU 46 Cb -0.16 -1.80 0.04 0.00 0.03 0.00 0.00 46.19 44.31 3l6t s LEU 46 CO 0.54 0.17 0.46 -0.94 0.23 0.00 0.00 176.35 176.81 3l6t s SER 47 N 0.34 -0.30 0.55 2.29 1.04 -1.26 -4.05 113.70 112.31 3l6t s SER 47 Ca -0.04 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.11 3l6t s SER 47 Cb -0.14 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.49 3l6t s SER 47 CO 0.03 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 173.95 3l6t n GLY 48 N -0.27 1.13 3.73 7.32 0.00 -1.26 -4.80 105.19 111.04 3l6t n GLY 48 Ca -0.15 -0.72 -0.36 0.00 0.00 0.00 0.00 46.02 44.78 3l6t n GLY 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3l6t s ASP 49 N -4.00 4.52 -0.53 1.61 1.01 -1.26 -1.73 116.67 116.29 3l6t s ASP 49 Ca 0.00 2.58 -0.21 0.00 0.71 0.00 0.00 52.55 55.63 3l6t s ASP 49 Cb 0.00 -2.61 0.05 0.00 1.01 0.00 0.00 42.92 41.37 3l6t s ASP 49 CO 0.00 -2.06 0.76 -0.69 0.21 0.00 0.00 175.17 173.39 3l6t s VAL 50 N -1.50 4.67 0.05 -1.27 1.01 -1.26 -4.71 120.40 117.39 3l6t s VAL 50 Ca 0.81 -0.23 -0.31 0.00 0.00 0.00 0.00 61.98 62.26 3l6t s VAL 50 Cb -0.36 -4.41 -0.06 0.00 0.00 0.00 0.00 36.38 31.55 3l6t s VAL 50 CO 0.41 -0.96 1.35 -1.83 0.00 0.00 0.00 175.10 174.07 3l6t s GLU 51 N 3.17 4.33 0.24 2.72 1.03 -1.26 -4.92 118.70 124.01 3l6t s GLU 51 Ca 0.21 1.95 -0.04 0.00 0.03 0.00 0.00 54.97 57.12 3l6t s GLU 51 Cb -0.17 -3.41 0.44 0.00 -0.80 0.00 0.00 34.13 30.19 3l6t s GLU 51 CO 0.14 -0.45 1.76 1.03 -1.33 0.00 0.00 175.26 176.41 3l6t h SER 52 N 7.23 0.43 0.33 0.83 0.87 -2.00 -2.13 113.55 119.12 3l6t h SER 52 Ca -0.40 0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.23 3l6t h SER 52 Cb 1.20 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 3l6t h SER 52 CO 0.87 0.21 -0.16 0.00 -0.53 0.00 0.00 176.83 177.21 3l6t h ALA 53 N 1.51 -0.45 -0.77 6.23 0.00 -2.00 -2.49 119.26 121.29 3l6t h ALA 53 Ca 0.41 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.23 3l6t h ALA 53 Cb 0.54 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 3l6t h ALA 53 CO -0.34 -0.65 0.50 -0.09 0.00 0.00 0.00 179.25 178.68 3l6t h ARG 54 N -0.66 0.75 -0.44 0.00 9.65 -1.92 -2.06 114.38 119.69 3l6t h ARG 54 Ca -0.05 -0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 58.77 3l6t h ARG 54 Cb 0.47 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.86 3l6t h ARG 54 CO 0.08 0.49 0.19 0.35 2.80 0.00 0.00 179.97 183.88 3l6t h PHE 55 N 0.77 0.66 -0.12 2.20 3.57 -1.27 -1.78 116.94 120.97 3l6t h PHE 55 Ca 0.34 -0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.69 3l6t h PHE 55 Cb 0.32 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 3l6t h PHE 55 CO -0.00 0.56 -0.37 0.87 -2.23 0.00 0.00 178.31 177.13 3l6t h LYS 56 N 0.57 0.26 0.05 1.11 1.57 -0.92 -0.82 116.57 118.39 3l6t h LYS 56 Ca 0.15 -0.11 -0.24 0.00 -1.87 0.00 0.00 60.65 58.58 3l6t h LYS 56 Cb 0.16 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 3l6t h LYS 56 CO -0.01 0.60 -1.05 1.05 -0.57 0.00 0.00 179.45 179.47 3l6t h GLU 57 N 0.22 0.28 -0.18 3.15 4.11 -1.37 -3.05 114.58 117.73 3l6t h GLU 57 Ca 0.02 -0.37 -0.07 0.00 0.07 0.00 0.00 59.36 59.02 3l6t h GLU 57 Cb 0.76 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 3l6t h GLU 57 CO 0.06 1.11 -0.17 -0.07 0.07 0.00 0.00 179.01 180.00 3l6t h LEU 58 N 0.13 0.30 -0.70 3.06 3.38 -1.16 0.22 115.31 120.54 3l6t h LEU 58 Ca -0.09 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 57.87 3l6t h LEU 58 Cb 1.72 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 42.34 3l6t h LEU 58 CO 0.17 0.50 0.39 0.25 0.09 0.00 0.00 178.44 179.83 3l6t h LEU 59 N 0.29 0.56 -2.46 1.67 5.85 -1.05 -1.98 115.31 118.20 3l6t h LEU 59 Ca 0.05 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3l6t h LEU 59 Cb 0.48 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.44 3l6t h LEU 59 CO 0.03 0.35 0.00 1.33 -0.34 0.00 0.00 178.44 179.81 3l6t n VAL 60 N -4.79 1.15 -0.66 1.05 0.24 -1.06 -4.67 118.33 109.59 3l6t n VAL 60 Ca 0.10 -0.90 0.00 0.00 -2.04 0.00 0.00 64.34 61.50 3l6t n VAL 60 Cb 0.20 0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.82 3l6t n VAL 60 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3l6t n GLY 61 N 1.27 0.67 3.58 7.63 0.00 -0.74 -4.79 105.19 112.80 3l6t n GLY 61 Ca 0.21 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3l6t n GLY 61 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3l6t s GLU 62 N -0.38 3.77 0.06 1.61 2.02 0.73 -0.86 118.70 125.65 3l6t s GLU 62 Ca 0.00 -1.73 -0.33 0.00 0.02 0.00 0.00 54.97 52.94 3l6t s GLU 62 Cb 0.00 -5.47 -0.17 0.00 0.10 0.00 0.00 34.13 28.59 3l6t s GLU 62 CO 0.00 -2.40 1.50 0.82 0.02 0.00 0.00 175.26 175.20 3l6t h ILE 63 N 5.90 0.00 -1.89 -1.63 1.08 -1.57 -3.38 117.51 116.02 3l6t h ILE 63 Ca 0.38 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.85 3l6t h ILE 63 Cb 0.91 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.66 3l6t h ILE 63 CO 1.43 0.00 0.00 -0.90 -0.69 0.00 0.00 178.15 177.99 3l6t n ASP 64 N -5.20 0.00 0.21 1.72 3.85 -1.06 -4.99 116.55 111.07 3l6t n ASP 64 Ca -0.13 -0.89 0.05 0.00 -0.71 0.00 0.00 54.79 53.11 3l6t n ASP 64 Cb 0.45 0.00 0.46 0.00 -1.35 0.00 0.00 41.12 40.68 3l6t n ASP 64 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3l6t h THR 65 N 0.89 1.08 -0.01 2.12 1.03 -2.02 -2.56 112.91 113.44 3l6t h THR 65 Ca 0.00 -0.98 0.00 0.00 -0.01 0.00 0.00 66.41 65.42 3l6t h THR 65 Cb 0.00 1.55 0.00 0.00 -1.07 0.00 0.00 68.15 68.63 3l6t h THR 65 CO 0.00 0.27 -0.22 0.49 -0.01 0.00 0.00 175.52 176.05 3l6t n PHE 66 N -4.04 0.00 -3.43 0.00 3.01 -1.26 -4.77 117.46 106.97 3l6t n PHE 66 Ca -0.02 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.23 3l6t n PHE 66 Cb 0.34 -0.08 -0.11 0.00 -0.01 0.00 0.00 39.48 39.62 3l6t n PHE 66 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 3l6t s THR 67 N -2.38 -0.24 -0.39 4.37 2.01 -0.96 -5.09 115.64 112.95 3l6t s THR 67 Ca 0.27 -0.82 -0.07 0.00 0.31 0.00 0.00 61.69 61.37 3l6t s THR 67 Cb 0.20 -0.94 0.07 0.00 0.01 0.00 0.00 72.50 71.84 3l6t s THR 67 CO 0.48 -0.62 0.21 -1.00 -0.69 0.00 0.00 174.62 172.99 3l6t s HIS 68 N 1.93 3.36 -0.06 4.92 3.76 -1.26 -1.67 115.29 126.27 3l6t s HIS 68 Ca 0.12 -1.67 -0.35 0.00 -0.15 0.00 0.00 55.06 53.01 3l6t s HIS 68 Cb -0.16 -2.82 -0.13 0.00 1.11 0.00 0.00 32.58 30.58 3l6t s HIS 68 CO -0.23 -0.84 1.77 -1.33 -0.85 0.00 0.00 174.74 173.26 3l6t n MET 69 N 4.83 1.97 -3.48 1.40 2.81 -0.04 -4.95 117.12 119.65 3l6t n MET 69 Ca -0.09 0.72 -0.42 0.00 -1.81 0.00 0.00 57.70 56.09 3l6t n MET 69 Cb 0.43 -2.52 -0.08 0.00 -0.71 0.00 0.00 33.22 30.34 3l6t n MET 69 CO 0.00 0.00 0.00 1.14 1.51 0.00 0.00 175.97 178.62 3l6t s GLN 70 N 3.18 2.75 0.00 0.03 -2.07 -1.26 -4.84 119.66 117.46 3l6t s GLN 70 Ca 0.90 -1.52 0.00 0.00 -1.82 0.00 0.00 55.36 52.92 3l6t s GLN 70 Cb -0.76 -3.99 0.00 0.00 -1.09 0.00 0.00 33.01 27.17 3l6t s GLN 70 CO 0.51 -1.08 0.90 2.89 -1.32 0.00 0.00 175.29 177.19 3l6t n ARG 71 N 5.05 2.27 -2.12 9.60 1.85 -1.26 -5.01 116.66 127.04 3l6t n ARG 71 Ca -0.11 -1.31 0.00 0.00 -1.00 0.00 0.00 57.85 55.43 3l6t n ARG 71 Cb 0.42 -0.98 0.00 0.00 -1.05 0.00 0.00 32.46 30.85 3l6t n ARG 71 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 3l6t n HIS 72 N -0.40 -4.80 0.00 2.89 -0.00 -1.26 -4.99 115.22 106.66 3l6t n HIS 72 Ca 0.00 2.89 0.00 0.00 -0.00 0.00 0.00 57.72 60.61 3l6t n HIS 72 Cb 0.22 -3.56 0.00 0.00 -0.00 0.00 0.00 29.99 26.65 3l6t n HIS 72 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.34 176.70 3l6t n LYS 77 N 1.95 0.00 0.00 1.57 -0.00 -1.26 -4.58 118.16 115.84 3l6t n LYS 77 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.43 3l6t n LYS 77 Cb 0.00 0.00 0.28 0.00 -0.00 0.00 0.00 35.03 35.31 3l6t n LYS 77 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 3l6t n LYS 78 N -1.25 0.04 -1.77 -1.58 -0.00 -1.26 -3.97 118.16 108.38 3l6t n LYS 78 Ca 0.00 -0.02 -0.42 0.00 -0.00 0.00 0.00 58.31 57.86 3l6t n LYS 78 Cb 0.00 -1.50 -0.03 0.00 -0.00 0.00 0.00 35.03 33.50 3l6t n LYS 78 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 3l6t s GLU 79 N -2.97 3.78 -0.02 -1.58 2.12 -1.26 -4.93 118.70 113.84 3l6t s GLU 79 Ca 0.12 2.22 -0.30 0.00 0.36 0.00 0.00 54.97 57.37 3l6t s GLU 79 Cb 0.18 -4.18 -0.06 0.00 0.26 0.00 0.00 34.13 30.33 3l6t s GLU 79 CO 0.68 -1.35 1.51 1.03 -0.54 0.00 0.00 175.26 176.59 3l6t s ARG 80 N 5.02 4.23 0.11 4.30 0.52 -1.26 -4.15 118.95 127.72 3l6t s ARG 80 Ca 0.87 2.07 0.21 0.00 -0.52 0.00 0.00 55.73 58.36 3l6t s ARG 80 Cb -0.35 -3.71 -0.10 0.00 0.52 0.00 0.00 34.95 31.31 3l6t s ARG 80 CO 0.36 -0.69 0.85 1.28 0.02 0.00 0.00 175.30 177.12 3l6t n LEU 81 N 6.00 0.66 0.00 2.53 4.77 0.12 -4.75 117.00 126.33 3l6t n LEU 81 Ca 0.15 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 3l6t n LEU 81 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 3l6t n LEU 81 CO 0.60 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 3l6t n GLY 82 N 1.26 -1.56 2.86 -0.72 0.00 -1.19 -1.98 105.19 103.87 3l6t n GLY 82 Ca -0.04 -1.12 -0.23 0.00 0.00 0.00 0.00 46.02 44.63 3l6t n GLY 82 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3l6t s TYR 83 N -2.79 0.93 -0.44 1.61 2.02 0.23 -0.89 117.35 118.02 3l6t s TYR 83 Ca 0.00 -0.33 -0.22 0.00 -0.37 0.00 0.00 57.07 56.15 3l6t s TYR 83 Cb 0.00 -0.87 0.02 0.00 -0.40 0.00 0.00 41.96 40.71 3l6t s TYR 83 CO 0.00 -0.32 0.70 0.34 -1.57 0.00 0.00 175.55 174.70 3l6t s ASP 84 N 1.47 6.36 -0.49 2.29 -1.08 0.60 -0.78 116.67 125.04 3l6t s ASP 84 Ca -0.02 -0.23 -0.17 0.00 -0.52 0.00 0.00 52.55 51.61 3l6t s ASP 84 Cb -0.13 -2.35 0.06 0.00 -1.46 0.00 0.00 42.92 39.05 3l6t s ASP 84 CO -0.04 -0.82 0.51 -0.76 0.52 0.00 0.00 175.17 174.59 3l6t s LEU 85 N 2.99 5.27 -0.34 -1.34 1.02 -0.52 -0.83 118.68 124.92 3l6t s LEU 85 Ca 0.25 -1.10 -0.12 0.00 0.02 0.00 0.00 54.13 53.19 3l6t s LEU 85 Cb -0.13 -2.32 -0.00 0.00 0.02 0.00 0.00 46.19 43.75 3l6t s LEU 85 CO 0.20 -0.77 0.22 -0.89 0.02 0.00 0.00 176.35 175.13 3l6t s THR 86 N 2.16 5.00 -0.27 5.49 2.01 0.11 -0.87 115.64 129.27 3l6t s THR 86 Ca 0.10 -0.40 -0.11 0.00 0.31 0.00 0.00 61.69 61.58 3l6t s THR 86 Cb -0.21 -3.61 -0.05 0.00 0.01 0.00 0.00 72.50 68.63 3l6t s THR 86 CO 0.09 -0.05 0.20 -0.36 -0.69 0.00 0.00 174.62 173.81 3l6t s PHE 87 N 1.67 3.25 -0.06 4.92 0.08 -0.49 -1.16 117.98 126.20 3l6t s PHE 87 Ca 0.05 0.18 0.06 0.00 0.12 0.00 0.00 56.93 57.34 3l6t s PHE 87 Cb -0.18 -2.37 -0.01 0.00 -0.57 0.00 0.00 43.02 39.89 3l6t s PHE 87 CO 0.09 -0.10 -0.23 -1.12 -0.10 0.00 0.00 175.22 173.75 3l6t s SER 88 N 1.54 3.21 0.69 1.36 0.01 -0.29 -1.29 113.70 118.94 3l6t s SER 88 Ca 0.08 -0.47 -0.11 0.00 1.31 0.00 0.00 55.95 56.76 3l6t s SER 88 Cb -0.15 -0.83 0.01 0.00 0.21 0.00 0.00 66.02 65.26 3l6t s SER 88 CO 0.09 0.26 1.06 0.00 0.41 0.00 0.00 173.24 175.06 3l6t s ALA 89 N -0.24 2.72 0.76 1.44 0.00 -0.35 -4.59 121.76 121.50 3l6t s ALA 89 Ca -0.01 0.01 -0.15 0.00 0.00 0.00 0.00 51.96 51.81 3l6t s ALA 89 Cb -0.13 -3.14 0.03 0.00 0.00 0.00 0.00 23.12 19.87 3l6t s ALA 89 CO 0.03 -1.17 1.00 -2.30 0.00 0.00 0.00 175.76 173.31 3l6t n PRO 90 N -3.09 0.36 -0.27 0.00 -0.02 -1.26 -4.69 135.00 126.03 3l6t n PRO 90 Ca 0.07 0.19 -0.04 0.00 -2.02 0.00 0.00 63.50 61.70 3l6t n PRO 90 Cb 0.54 -2.26 0.07 0.00 -0.02 0.00 0.00 33.50 31.83 3l6t n PRO 90 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3l6t h LYS 91 N -0.52 0.97 -0.51 -0.52 1.63 -1.92 0.64 116.57 116.34 3l6t h LYS 91 Ca -0.47 -0.06 -0.11 0.00 -0.85 0.00 0.00 60.65 59.16 3l6t h LYS 91 Cb 1.32 -0.22 -0.02 0.00 -0.60 0.00 0.00 32.23 32.71 3l6t h LYS 91 CO 0.46 0.64 -0.12 0.78 -3.45 0.00 0.00 179.45 177.76 3l6t h GLY 92 N 1.00 1.07 0.83 5.01 0.00 -1.92 -0.97 103.07 108.10 3l6t h GLY 92 Ca 0.28 -0.89 0.02 0.00 0.00 0.00 0.00 47.33 46.74 3l6t h GLY 92 CO -0.07 0.81 0.01 -2.08 0.00 0.00 0.00 176.54 175.21 3l6t h VAL 93 N 0.86 0.93 -0.55 4.60 2.07 -1.78 -1.19 116.25 121.18 3l6t h VAL 93 Ca 0.13 -0.02 0.07 0.00 0.82 0.00 0.00 66.70 67.70 3l6t h VAL 93 Cb 0.69 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 31.27 3l6t h VAL 93 CO 0.05 0.01 0.24 0.28 0.02 0.00 0.00 177.57 178.18 3l6t h SER 94 N 0.06 0.31 -0.63 0.57 0.02 -0.65 -1.09 113.55 112.15 3l6t h SER 94 Ca 0.06 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 3l6t h SER 94 Cb 0.06 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 3l6t h SER 94 CO -0.09 0.20 0.33 0.24 -1.14 0.00 0.00 176.83 176.38 3l6t h MET 95 N 0.46 0.88 -0.71 3.45 2.86 -0.93 0.33 114.93 121.27 3l6t h MET 95 Ca 0.26 -0.11 0.01 0.00 -2.06 0.00 0.00 59.70 57.80 3l6t h MET 95 Cb 0.24 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 31.69 3l6t h MET 95 CO -0.22 0.68 0.47 0.37 1.06 0.00 0.00 176.91 179.26 3l6t h GLN 96 N 0.85 0.93 -0.10 1.72 5.75 -0.87 0.30 115.11 123.69 3l6t h GLN 96 Ca 0.22 -0.06 -0.08 0.00 -0.15 0.00 0.00 58.65 58.58 3l6t h GLN 96 Cb 0.06 -0.21 0.00 0.00 1.07 0.00 0.00 27.48 28.40 3l6t h GLN 96 CO -0.03 0.61 -0.26 0.00 -2.65 0.00 0.00 178.83 176.50 3l6t h ALA 97 N 1.26 0.17 0.01 3.38 0.00 -0.67 -2.62 119.26 120.79 3l6t h ALA 97 Ca 0.26 -0.40 -0.36 0.00 0.00 0.00 0.00 54.91 54.41 3l6t h ALA 97 Cb -0.10 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.60 3l6t h ALA 97 CO -0.06 0.16 -2.29 1.28 0.00 0.00 0.00 179.25 178.34 3l6t n LEU 98 N -4.46 0.77 0.02 0.00 4.77 0.11 -2.19 117.00 116.02 3l6t n LEU 98 Ca -0.07 0.04 -0.22 0.00 -0.03 0.00 0.00 56.01 55.73 3l6t n LEU 98 Cb 0.46 0.13 -0.14 0.00 -2.33 0.00 0.00 43.42 41.54 3l6t n LEU 98 CO 0.41 0.58 -0.70 0.40 -1.33 0.00 0.00 177.39 176.75 3l6t h ILE 99 N 0.00 0.75 -0.01 -0.08 1.08 -1.11 -3.36 117.51 114.78 3l6t h ILE 99 Ca -0.51 -2.39 0.00 0.00 -0.39 0.00 0.00 64.86 61.57 3l6t h ILE 99 Cb 2.15 2.59 0.00 0.00 -3.07 0.00 0.00 36.82 38.48 3l6t h ILE 99 CO 0.02 0.86 -0.44 1.41 -0.69 0.00 0.00 178.15 179.31 3l6t n HIS 100 N -3.58 0.00 -2.33 1.37 8.25 -0.87 -4.97 115.22 113.09 3l6t n HIS 100 Ca -0.29 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.02 3l6t n HIS 100 Cb 1.04 -0.13 -0.00 0.00 1.12 0.00 0.00 29.99 32.02 3l6t n HIS 100 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3l6t n GLY 101 N 1.41 -0.21 3.58 -1.41 0.00 -0.93 -4.95 105.19 102.68 3l6t n GLY 101 Ca 0.09 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 3l6t n GLY 101 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3l6t s ASP 102 N -2.41 6.50 0.52 1.61 -1.08 -1.00 -4.90 116.67 115.91 3l6t s ASP 102 Ca 0.03 0.18 0.32 0.00 -0.52 0.00 0.00 52.55 52.55 3l6t s ASP 102 Cb -0.01 -2.53 1.18 0.00 -1.46 0.00 0.00 42.92 40.10 3l6t s ASP 102 CO 0.03 -1.36 1.91 0.11 0.52 0.00 0.00 175.17 176.38 3l6t h LYS 103 N 9.40 0.00 0.00 4.34 1.79 -1.91 -2.73 116.57 127.46 3l6t h LYS 103 Ca -0.24 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.08 3l6t h LYS 103 Cb 1.06 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.69 3l6t h LYS 103 CO 1.15 0.00 -0.68 1.79 -1.08 0.00 0.00 179.45 180.63 3l6t h THR 104 N 0.00 1.46 -0.41 -0.16 1.35 -1.99 -2.03 112.91 111.12 3l6t h THR 104 Ca 0.00 -2.37 -0.04 0.00 -0.55 0.00 0.00 66.41 63.45 3l6t h THR 104 Cb 0.59 2.29 -0.02 0.00 -1.73 0.00 0.00 68.15 69.28 3l6t h THR 104 CO 0.00 0.67 0.11 0.40 -0.25 0.00 0.00 175.52 176.45 3l6t h ILE 105 N 0.00 1.23 -0.64 6.82 1.08 -1.88 -1.39 117.51 122.72 3l6t h ILE 105 Ca -0.01 -0.78 0.00 0.00 -0.39 0.00 0.00 64.86 63.68 3l6t h ILE 105 Cb 1.23 0.95 -0.03 0.00 -3.07 0.00 0.00 36.82 35.90 3l6t h ILE 105 CO 0.09 0.27 0.41 0.40 -0.69 0.00 0.00 178.15 178.63 3l6t h ILE 106 N 0.53 1.17 -0.72 -0.67 2.04 -1.54 -0.02 117.51 118.30 3l6t h ILE 106 Ca 0.13 -0.35 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 3l6t h ILE 106 Cb 0.31 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 3l6t h ILE 106 CO 0.00 0.17 0.27 -0.33 0.00 0.00 0.00 178.15 178.27 3l6t h GLU 107 N 0.87 1.08 -0.43 2.37 4.39 -1.15 -1.24 114.58 120.46 3l6t h GLU 107 Ca 0.23 -0.20 -0.11 0.00 0.34 0.00 0.00 59.36 59.62 3l6t h GLU 107 Cb -0.07 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.39 3l6t h GLU 107 CO -0.05 0.89 -0.17 0.00 -1.16 0.00 0.00 179.01 178.52 3l6t h ALA 108 N 1.24 0.61 -0.35 3.43 0.00 -0.83 -0.86 119.26 122.50 3l6t h ALA 108 Ca 0.24 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3l6t h ALA 108 Cb 0.22 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3l6t h ALA 108 CO -0.02 0.55 0.20 1.25 0.00 0.00 0.00 179.25 181.23 3l6t h HIS 109 N 0.71 0.47 -0.40 0.00 -0.00 -0.80 -0.79 115.15 114.35 3l6t h HIS 109 Ca 0.10 -0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 60.40 3l6t h HIS 109 Cb 0.73 -0.15 -0.02 0.00 -0.00 0.00 0.00 27.41 27.97 3l6t h HIS 109 CO 0.05 0.36 -0.04 0.93 -0.00 0.00 0.00 177.93 179.23 3l6t h GLU 110 N 0.45 0.66 -0.68 5.26 4.39 -1.06 0.33 114.58 123.93 3l6t h GLU 110 Ca 0.12 -0.18 -0.05 0.00 0.34 0.00 0.00 59.36 59.60 3l6t h GLU 110 Cb 0.03 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.57 3l6t h GLU 110 CO -0.02 0.71 0.23 0.87 -1.16 0.00 0.00 179.01 179.64 3l6t h LYS 111 N 0.62 1.03 -0.31 2.33 1.57 -0.88 -0.84 116.57 120.08 3l6t h LYS 111 Ca 0.12 -0.20 -0.05 0.00 -1.87 0.00 0.00 60.65 58.65 3l6t h LYS 111 Cb 0.45 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 3l6t h LYS 111 CO 0.02 0.87 0.01 0.00 -0.57 0.00 0.00 179.45 179.78 3l6t h ALA 112 N 1.25 0.42 -0.39 3.86 0.00 -0.39 -1.56 119.26 122.44 3l6t h ALA 112 Ca 0.22 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3l6t h ALA 112 Cb 0.25 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3l6t h ALA 112 CO -0.01 0.16 0.22 0.28 0.00 0.00 0.00 179.25 179.90 3l6t h VAL 113 N 0.35 1.03 -0.91 0.00 2.07 -0.83 -1.88 116.25 116.08 3l6t h VAL 113 Ca 0.09 -0.15 0.07 0.00 0.82 0.00 0.00 66.70 67.53 3l6t h VAL 113 Cb 0.42 0.54 -0.07 0.00 -1.52 0.00 0.00 31.29 30.67 3l6t h VAL 113 CO 0.01 0.08 0.57 0.00 0.02 0.00 0.00 177.57 178.25 3l6t h ALA 114 N 1.18 1.27 -0.62 1.67 0.00 -0.96 -0.35 119.26 121.45 3l6t h ALA 114 Ca 0.16 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 3l6t h ALA 114 Cb 0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3l6t h ALA 114 CO -0.08 0.30 0.02 0.00 0.00 0.00 0.00 179.25 179.49 3l6t h ALA 115 N 1.44 0.85 -0.27 0.00 0.00 -0.85 -1.39 119.26 119.04 3l6t h ALA 115 Ca 0.40 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 3l6t h ALA 115 Cb 0.22 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3l6t h ALA 115 CO -0.19 0.67 -0.32 0.00 0.00 0.00 0.00 179.25 179.41 3l6t h ALA 116 N 1.01 0.94 -0.61 0.00 0.00 -0.84 -1.84 119.26 117.93 3l6t h ALA 116 Ca 0.18 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 3l6t h ALA 116 Cb 0.54 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3l6t h ALA 116 CO 0.03 0.61 0.02 0.28 0.00 0.00 0.00 179.25 180.19 3l6t h VAL 117 N 0.49 1.27 -0.92 0.00 2.07 -0.84 -0.09 116.25 118.22 3l6t h VAL 117 Ca 0.06 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.45 3l6t h VAL 117 Cb 0.79 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 31.31 3l6t h VAL 117 CO 0.06 0.41 0.59 0.03 0.02 0.00 0.00 177.57 178.68 3l6t h ARG 118 N 0.96 1.23 -0.45 1.57 3.08 -0.98 -2.10 114.38 117.69 3l6t h ARG 118 Ca 0.17 -0.09 -0.11 0.00 0.07 0.00 0.00 59.98 60.02 3l6t h ARG 118 Cb 0.54 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 3l6t h ARG 118 CO 0.03 0.84 -0.16 1.49 -1.07 0.00 0.00 179.97 181.10 3l6t h GLU 119 N 1.26 0.91 -0.92 0.04 4.57 -0.99 -2.94 114.58 116.50 3l6t h GLU 119 Ca 0.33 -0.37 0.14 0.00 -1.18 0.00 0.00 59.36 58.28 3l6t h GLU 119 Cb -0.10 -0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 28.37 3l6t h GLU 119 CO -0.07 1.02 0.59 0.00 -1.18 0.00 0.00 179.01 179.37 3l6t h ALA 120 N 0.86 1.74 -0.19 2.92 0.00 -0.65 -1.06 119.26 122.88 3l6t h ALA 120 Ca 0.11 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.09 3l6t h ALA 120 Cb 0.72 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3l6t h ALA 120 CO 0.05 0.01 0.16 1.49 0.00 0.00 0.00 179.25 180.97 3l6t h GLU 121 N 0.78 0.00 0.00 0.00 4.81 -1.19 0.13 114.58 119.10 3l6t h GLU 121 Ca 0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.69 3l6t h GLU 121 Cb 0.65 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.03 3l6t h GLU 121 CO -0.22 0.00 0.00 0.87 -0.73 0.00 0.00 179.01 178.93 3l6t h LYS 122 N 0.00 0.00 -0.01 1.92 1.57 -1.27 -2.37 116.57 116.41 3l6t h LYS 122 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3l6t h LYS 122 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3l6t h LYS 122 CO -0.00 0.00 -0.28 1.28 -0.57 0.00 0.00 179.45 179.88 3l6t n LEU 123 N -2.82 1.66 -4.69 2.94 4.77 0.43 -4.79 117.00 114.50 3l6t n LEU 123 Ca 0.00 -0.55 -0.42 0.00 -0.03 0.00 0.00 56.01 55.01 3l6t n LEU 123 Cb 0.23 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 3l6t n LEU 123 CO 0.23 0.30 1.42 0.00 -1.33 0.00 0.00 177.39 178.01 3l6t s ALA 124 N -2.38 3.75 0.06 -1.18 0.00 -0.89 -4.55 121.76 116.57 3l6t s ALA 124 Ca 0.24 1.38 0.03 0.00 0.00 0.00 0.00 51.96 53.61 3l6t s ALA 124 Cb 0.19 -3.74 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 3l6t s ALA 124 CO 0.49 -1.17 -0.09 -0.65 0.00 0.00 0.00 175.76 174.35 3l6t s GLN 125 N 2.61 0.65 0.01 0.00 -0.21 -1.26 -1.52 119.66 119.94 3l6t s GLN 125 Ca 0.78 -0.91 0.01 0.00 0.02 0.00 0.00 55.36 55.27 3l6t s GLN 125 Cb -0.44 -0.40 -0.01 0.00 1.00 0.00 0.00 33.01 33.16 3l6t s GLN 125 CO 0.35 0.07 -0.04 0.00 -2.12 0.00 0.00 175.29 173.55 3l6t s ALA 126 N -1.76 0.30 0.30 6.09 0.00 -0.29 -1.13 121.76 125.28 3l6t s ALA 126 Ca -0.04 -0.35 -0.27 0.00 0.00 0.00 0.00 51.96 51.30 3l6t s ALA 126 Cb -0.07 -0.01 -0.10 0.00 0.00 0.00 0.00 23.12 22.94 3l6t s ALA 126 CO 0.00 0.01 0.95 1.03 0.00 0.00 0.00 175.76 177.75 3l6t s ARG 127 N -0.63 4.65 0.32 0.00 0.52 -1.26 -0.74 118.95 121.81 3l6t s ARG 127 Ca -0.04 1.40 -0.06 0.00 -0.52 0.00 0.00 55.73 56.51 3l6t s ARG 127 Cb -0.05 -2.95 0.00 0.00 0.52 0.00 0.00 34.95 32.48 3l6t s ARG 127 CO -0.00 0.33 0.49 -0.08 0.02 0.00 0.00 175.30 176.06 3l6t s THR 128 N -1.47 0.00 0.03 0.02 -1.32 -0.20 -4.93 115.64 107.78 3l6t s THR 128 Ca 0.47 -1.51 0.05 0.00 -1.21 0.00 0.00 61.69 59.49 3l6t s THR 128 Cb -0.22 -2.56 -0.02 0.00 -1.51 0.00 0.00 72.50 68.20 3l6t s THR 128 CO 0.27 0.00 -0.14 0.42 -2.21 0.00 0.00 174.62 172.96 3l6t s THR 129 N -3.24 1.14 -0.13 5.08 -4.23 -1.26 0.90 115.64 113.89 3l6t s THR 129 Ca 0.28 -0.97 0.02 0.00 -1.18 0.00 0.00 61.69 59.84 3l6t s THR 129 Cb -0.01 -1.02 0.01 0.00 1.34 0.00 0.00 72.50 72.82 3l6t s THR 129 CO 0.16 0.05 -0.20 -0.13 -0.54 0.00 0.00 174.62 173.96 3l6t s ARG 130 N -1.05 2.77 -1.61 3.99 0.52 -0.40 -4.70 118.95 118.47 3l6t s ARG 130 Ca 0.02 -0.76 -0.08 0.00 -0.52 0.00 0.00 55.73 54.39 3l6t s ARG 130 Cb -0.08 -2.27 0.07 0.00 0.52 0.00 0.00 34.95 33.20 3l6t s ARG 130 CO 0.01 -0.04 0.36 0.94 0.02 0.00 0.00 175.30 176.59 3l6t n GLN 131 N 4.13 -1.87 -0.03 3.54 7.27 -1.26 -0.56 117.38 128.61 3l6t n GLN 131 Ca -0.20 0.23 0.00 0.00 0.07 0.00 0.00 57.00 57.10 3l6t n GLN 131 Cb 0.51 -4.30 0.00 0.00 2.41 0.00 0.00 30.24 28.87 3l6t n GLN 131 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3l6t n GLY 132 N -1.94 2.43 3.64 1.69 0.00 -1.26 -4.97 105.19 104.77 3l6t n GLY 132 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 3l6t n GLY 132 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3l6t s LYS 133 N -0.01 4.11 0.17 1.61 3.01 0.28 -4.97 119.74 123.94 3l6t s LYS 133 Ca 0.00 0.99 -0.32 0.00 -1.01 0.00 0.00 55.97 55.63 3l6t s LYS 133 Cb 0.00 -3.69 -0.11 0.00 -1.01 0.00 0.00 37.83 33.02 3l6t s LYS 133 CO 0.00 -0.69 1.75 0.45 0.51 0.00 0.00 175.35 177.37 3l6t s SER 134 N 1.46 6.42 -0.01 2.83 0.15 -1.26 -1.27 113.70 122.02 3l6t s SER 134 Ca 0.39 2.80 0.02 0.00 0.70 0.00 0.00 55.95 59.86 3l6t s SER 134 Cb -0.14 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 3l6t s SER 134 CO 0.11 -0.97 -0.06 0.68 1.20 0.00 0.00 173.24 174.19 3l6t s VAL 135 N 1.80 0.51 -0.02 4.45 -7.23 0.26 -4.92 120.40 115.25 3l6t s VAL 135 Ca 0.77 -0.24 -0.21 0.00 -1.81 0.00 0.00 61.98 60.49 3l6t s VAL 135 Cb -0.48 -0.46 -0.05 0.00 0.56 0.00 0.00 36.38 35.96 3l6t s VAL 135 CO 0.34 0.16 0.60 -0.89 -0.31 0.00 0.00 175.10 175.00 3l6t s THR 136 N 0.09 4.96 -0.12 5.32 2.01 -1.26 -1.04 115.64 125.60 3l6t s THR 136 Ca -0.01 1.25 0.00 0.00 0.31 0.00 0.00 61.69 63.24 3l6t s THR 136 Cb -0.05 -3.94 -0.02 0.00 0.01 0.00 0.00 72.50 68.50 3l6t s THR 136 CO -0.00 0.38 -0.13 -1.58 -0.69 0.00 0.00 174.62 172.60 3l6t s GLN 137 N 0.04 3.31 -0.29 4.92 0.74 0.08 -4.97 119.66 123.48 3l6t s GLN 137 Ca 0.32 -0.68 -0.28 0.00 0.05 0.00 0.00 55.36 54.76 3l6t s GLN 137 Cb -0.18 -2.62 0.01 0.00 1.10 0.00 0.00 33.01 31.33 3l6t s GLN 137 CO 0.17 0.26 1.03 -0.80 -0.55 0.00 0.00 175.29 175.39 3l6t s ASN 138 N 0.23 6.95 -0.03 6.67 -0.87 -1.26 -1.14 114.94 125.49 3l6t s ASN 138 Ca -0.08 1.11 0.17 0.00 -1.57 0.00 0.00 52.86 52.48 3l6t s ASN 138 Cb -0.15 -2.52 -0.26 0.00 -0.02 0.00 0.00 41.25 38.29 3l6t s ASN 138 CO 0.05 -0.78 0.36 0.35 -2.57 0.00 0.00 177.10 174.51 3l6t n THR 139 N 5.65 0.07 -2.87 1.60 -2.24 -0.58 -4.99 114.28 110.92 3l6t n THR 139 Ca 0.11 -0.41 -0.19 0.00 -2.27 0.00 0.00 64.05 61.29 3l6t n THR 139 Cb 0.47 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 3l6t n THR 139 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3l6t n ASN 140 N -2.13 -4.45 -3.80 3.42 3.02 -1.25 -4.96 115.26 105.11 3l6t n ASN 140 Ca -0.05 -0.12 -0.13 0.00 -0.03 0.00 0.00 54.58 54.26 3l6t n ASN 140 Cb 0.49 -3.69 -0.12 0.00 -0.61 0.00 0.00 39.78 35.84 3l6t n ASN 140 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3l6t s ASN 141 N -2.40 -0.20 0.12 6.41 2.20 -1.25 -4.80 114.94 115.01 3l6t s ASN 141 Ca 0.20 0.39 0.04 0.00 -0.94 0.00 0.00 52.86 52.55 3l6t s ASN 141 Cb -0.10 0.39 -0.04 0.00 -2.00 0.00 0.00 41.25 39.50 3l6t s ASN 141 CO 0.24 -0.07 -0.10 -0.76 -2.94 0.00 0.00 177.10 173.47 3l6t s LEU 142 N 0.17 2.47 -0.28 3.54 1.43 -1.26 -4.60 118.68 120.15 3l6t s LEU 142 Ca -0.01 -0.92 -0.04 0.00 -1.03 0.00 0.00 54.13 52.13 3l6t s LEU 142 Cb -0.02 -0.34 0.02 0.00 0.03 0.00 0.00 46.19 45.88 3l6t s LEU 142 CO -0.00 -0.29 0.02 -0.69 0.23 0.00 0.00 176.35 175.61 3l6t s VAL 143 N -2.89 3.48 -0.09 -1.59 1.01 -1.26 -1.24 120.40 117.82 3l6t s VAL 143 Ca 0.11 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.26 3l6t s VAL 143 Cb -0.00 -2.79 0.02 0.00 0.00 0.00 0.00 36.38 33.60 3l6t s VAL 143 CO 0.00 0.13 -0.13 -0.69 0.00 0.00 0.00 175.10 174.41 3l6t s VAL 144 N 1.42 1.32 -0.24 2.92 1.01 -0.39 -0.97 120.40 125.46 3l6t s VAL 144 Ca 0.01 -0.54 -0.06 0.00 0.00 0.00 0.00 61.98 61.39 3l6t s VAL 144 Cb -0.17 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 34.97 3l6t s VAL 144 CO -0.01 0.40 0.03 0.00 0.00 0.00 0.00 175.10 175.53 3l6t s ALA 145 N 0.98 3.03 -0.04 5.51 0.00 -0.15 0.08 121.76 131.17 3l6t s ALA 145 Ca -0.08 -1.16 -0.03 0.00 0.00 0.00 0.00 51.96 50.69 3l6t s ALA 145 Cb -0.15 -1.95 -0.04 0.00 0.00 0.00 0.00 23.12 20.99 3l6t s ALA 145 CO -0.01 -0.49 0.16 0.95 0.00 0.00 0.00 175.76 176.37 3l6t s THR 146 N 1.56 5.34 -0.07 0.00 -4.23 0.01 -0.19 115.64 118.06 3l6t s THR 146 Ca 0.06 -0.11 -0.01 0.00 -1.18 0.00 0.00 61.69 60.45 3l6t s THR 146 Cb -0.15 -3.44 0.03 0.00 1.34 0.00 0.00 72.50 70.28 3l6t s THR 146 CO 0.01 0.40 0.01 -0.36 -0.54 0.00 0.00 174.62 174.14 3l6t s PHE 147 N -1.23 0.60 -0.10 3.99 0.08 0.58 -2.44 117.98 119.46 3l6t s PHE 147 Ca 0.24 -0.12 -0.12 0.00 0.12 0.00 0.00 56.93 57.04 3l6t s PHE 147 Cb -0.12 -0.76 -0.05 0.00 -0.57 0.00 0.00 43.02 41.51 3l6t s PHE 147 CO 0.14 -0.31 0.28 0.50 -0.10 0.00 0.00 175.22 175.73 3l6t s ARG 148 N 2.00 3.93 -0.17 0.44 3.52 0.70 -0.45 118.95 128.92 3l6t s ARG 148 Ca 0.05 0.12 -0.01 0.00 -0.13 0.00 0.00 55.73 55.76 3l6t s ARG 148 Cb -0.12 -3.30 -0.00 0.00 -1.56 0.00 0.00 34.95 29.97 3l6t s ARG 148 CO -0.05 0.53 -0.13 -1.01 -0.81 0.00 0.00 175.30 173.83 3l6t s HIS 149 N -0.41 2.82 0.00 5.12 3.76 -0.57 -4.92 115.29 121.09 3l6t s HIS 149 Ca 0.18 -1.01 0.00 0.00 -0.15 0.00 0.00 55.06 54.08 3l6t s HIS 149 Cb -0.14 -1.93 0.00 0.00 1.11 0.00 0.00 32.58 31.62 3l6t s HIS 149 CO 0.07 -0.47 0.00 0.39 -0.85 0.00 0.00 174.74 173.87 3l6t n GLU 150 N 4.17 2.52 -1.95 1.40 1.02 -1.26 -3.08 120.64 123.44 3l6t n GLU 150 Ca -0.19 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.53 3l6t n GLU 150 Cb 0.52 -0.93 -0.03 0.00 -0.02 0.00 0.00 31.44 30.98 3l6t n GLU 150 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3l6t s THR 151 N -1.81 3.48 0.00 2.62 -4.23 -1.26 -4.90 115.64 109.54 3l6t s THR 151 Ca 0.00 0.57 0.00 0.00 -1.18 0.00 0.00 61.69 61.08 3l6t s THR 151 Cb 0.00 -3.42 0.00 0.00 1.34 0.00 0.00 72.50 70.42 3l6t s THR 151 CO 0.00 -0.11 0.00 0.00 -0.54 0.00 0.00 174.62 173.97 3l6t n LEU 155 N 7.85 0.00 -4.41 4.79 -0.00 -1.26 -5.15 117.00 118.82 3l6t n LEU 155 Ca 0.19 0.00 -0.33 0.00 -0.00 0.00 0.00 56.01 55.87 3l6t n LEU 155 Cb 0.43 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.71 3l6t n LEU 155 CO 0.64 0.00 -0.45 -0.62 -0.00 0.00 0.00 177.39 176.96 3l6t s ASP 156 N -4.00 4.02 -0.22 1.45 2.15 -1.26 -5.07 116.67 113.75 3l6t s ASP 156 Ca 0.00 -0.28 -0.28 0.00 0.43 0.00 0.00 52.55 52.42 3l6t s ASP 156 Cb 0.00 -1.36 -0.05 0.00 -0.30 0.00 0.00 42.92 41.22 3l6t s ASP 156 CO 0.00 0.23 2.12 -2.84 -0.17 0.00 0.00 175.17 174.51 3l6t s PRO 157 N -0.02 3.25 -0.36 4.34 0.02 -1.26 -4.92 135.00 136.05 3l6t s PRO 157 Ca -0.03 1.97 0.01 0.00 0.02 0.00 0.00 61.00 62.96 3l6t s PRO 157 Cb -0.14 -4.32 0.15 0.00 0.02 0.00 0.00 34.50 30.20 3l6t s PRO 157 CO 0.04 -1.96 0.25 0.34 -0.33 0.00 0.00 177.00 175.34 3l6t s ASP 158 N 7.56 2.50 -0.18 2.53 -1.08 -1.26 -4.69 116.67 122.05 3l6t s ASP 158 Ca 0.96 -2.17 -0.29 0.00 -0.52 0.00 0.00 52.55 50.52 3l6t s ASP 158 Cb -0.32 -0.23 -0.01 0.00 -1.46 0.00 0.00 42.92 40.90 3l6t s ASP 158 CO 0.35 -0.29 1.25 -0.22 0.52 0.00 0.00 175.17 176.78 3l6t s LEU 159 N 1.03 4.15 0.13 -1.34 2.96 -1.26 -4.78 118.68 119.57 3l6t s LEU 159 Ca 0.19 1.63 -0.17 0.00 -0.22 0.00 0.00 54.13 55.57 3l6t s LEU 159 Cb -0.19 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 43.00 3l6t s LEU 159 CO -0.01 -0.78 0.43 -1.38 -1.32 0.00 0.00 176.35 173.28 3l6t s HIS 160 N 3.55 -0.23 -0.05 5.38 -3.43 -1.18 -1.21 115.29 118.12 3l6t s HIS 160 Ca 0.54 -0.08 0.03 0.00 -0.80 0.00 0.00 55.06 54.75 3l6t s HIS 160 Cb -0.21 0.29 0.01 0.00 -1.43 0.00 0.00 32.58 31.24 3l6t s HIS 160 CO 0.15 -0.73 -0.13 0.99 -2.00 0.00 0.00 174.74 173.02 3l6t s THR 161 N -3.80 1.18 -0.46 -5.38 2.01 -0.41 -1.51 115.64 107.26 3l6t s THR 161 Ca 0.03 -0.54 -0.24 0.00 0.31 0.00 0.00 61.69 61.25 3l6t s THR 161 Cb 0.01 -1.05 0.03 0.00 0.01 0.00 0.00 72.50 71.50 3l6t s THR 161 CO -0.12 0.36 0.83 -1.00 -0.69 0.00 0.00 174.62 174.01 3l6t s HIS 162 N 0.38 2.96 -0.66 4.92 3.76 0.40 -1.39 115.29 125.65 3l6t s HIS 162 Ca -0.09 0.20 -0.18 0.00 -0.15 0.00 0.00 55.06 54.83 3l6t s HIS 162 Cb -0.13 -3.78 0.13 0.00 1.11 0.00 0.00 32.58 29.90 3l6t s HIS 162 CO 0.03 -1.05 0.74 0.00 -0.85 0.00 0.00 174.74 173.61 3l6t s ALA 163 N 3.47 3.53 -0.54 -1.40 0.00 -0.05 -0.30 121.76 126.45 3l6t s ALA 163 Ca 0.32 -2.48 -0.27 0.00 0.00 0.00 0.00 51.96 49.53 3l6t s ALA 163 Cb -0.12 -3.56 0.03 0.00 0.00 0.00 0.00 23.12 19.48 3l6t s ALA 163 CO 0.23 -2.38 1.07 0.12 0.00 0.00 0.00 175.76 174.80 3l6t s PHE 164 N 2.22 2.73 -0.44 0.00 5.36 0.73 -1.45 117.98 127.13 3l6t s PHE 164 Ca 0.14 0.30 -0.22 0.00 -0.96 0.00 0.00 56.93 56.19 3l6t s PHE 164 Cb -0.21 -4.29 0.02 0.00 -0.34 0.00 0.00 43.02 38.21 3l6t s PHE 164 CO 0.02 -1.41 0.73 0.08 -1.46 0.00 0.00 175.22 173.18 3l6t s VAL 165 N 4.41 4.72 0.45 3.12 1.01 0.04 -0.98 120.40 133.17 3l6t s VAL 165 Ca 0.39 0.33 -0.25 0.00 0.00 0.00 0.00 61.98 62.44 3l6t s VAL 165 Cb -0.09 -4.27 -0.09 0.00 0.00 0.00 0.00 36.38 31.93 3l6t s VAL 165 CO 0.24 -0.66 1.30 0.23 0.00 0.00 0.00 175.10 176.21 3l6t n MET 166 N 6.53 1.92 -1.85 2.72 0.00 -0.14 -0.60 117.12 125.70 3l6t n MET 166 Ca 0.01 0.69 -0.41 0.00 0.00 0.00 0.00 57.70 57.99 3l6t n MET 166 Cb 0.48 -2.44 -0.02 0.00 0.00 0.00 0.00 33.22 31.24 3l6t n MET 166 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 3l6t n ASN 167 N -0.02 3.74 -3.57 7.83 5.15 -0.84 -4.70 115.26 122.85 3l6t n ASN 167 Ca 0.07 -2.81 -0.12 0.00 -0.60 0.00 0.00 54.58 51.12 3l6t n ASN 167 Cb 0.41 -1.57 -0.06 0.00 -0.53 0.00 0.00 39.78 38.03 3l6t n ASN 167 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3l6t s MET 168 N 4.23 0.70 -0.13 1.20 0.23 -1.26 -4.20 119.30 120.07 3l6t s MET 168 Ca 0.54 0.25 -0.22 0.00 -1.03 0.00 0.00 55.69 55.23 3l6t s MET 168 Cb 0.10 0.33 0.05 0.00 -1.53 0.00 0.00 34.83 33.78 3l6t s MET 168 CO 0.02 -0.20 0.55 -0.08 -2.03 0.00 0.00 175.02 173.28 3l6t s THR 169 N -0.93 0.01 -0.21 3.16 -1.32 0.44 -4.40 115.64 112.39 3l6t s THR 169 Ca -0.03 -0.09 -0.18 0.00 -1.21 0.00 0.00 61.69 60.17 3l6t s THR 169 Cb -0.01 -0.81 -0.03 0.00 -1.51 0.00 0.00 72.50 70.13 3l6t s THR 169 CO 0.03 -0.05 0.52 -1.58 -2.21 0.00 0.00 174.62 171.33 3l6t s GLN 170 N -0.41 4.17 0.95 7.08 0.74 -1.26 -0.74 119.66 130.19 3l6t s GLN 170 Ca -0.06 0.40 -0.15 0.00 0.05 0.00 0.00 55.36 55.61 3l6t s GLN 170 Cb -0.03 -3.57 0.17 0.00 1.10 0.00 0.00 33.01 30.68 3l6t s GLN 170 CO 0.04 -0.17 1.22 1.03 -0.55 0.00 0.00 175.29 176.85 3l6t s ARG 171 N 1.72 0.81 0.20 1.67 0.52 0.25 -4.88 118.95 119.23 3l6t s ARG 171 Ca 0.24 -0.07 -0.13 0.00 -0.52 0.00 0.00 55.73 55.24 3l6t s ARG 171 Cb -0.15 -1.83 0.22 0.00 0.52 0.00 0.00 34.95 33.70 3l6t s ARG 171 CO 0.09 -2.35 1.66 1.49 0.02 0.00 0.00 175.30 176.21 3l6t h GLU 172 N -1.60 0.06 -6.90 3.54 4.81 -1.94 -3.33 114.58 109.22 3l6t h GLU 172 Ca -0.46 -0.00 -0.50 0.00 -0.13 0.00 0.00 59.36 58.26 3l6t h GLU 172 Cb 1.29 -0.01 0.03 0.00 0.63 0.00 0.00 28.75 30.68 3l6t h GLU 172 CO 0.50 0.04 0.47 0.16 -0.73 0.00 0.00 179.01 179.45 3l6t s ASP 173 N -5.23 6.88 0.00 1.04 1.47 -1.26 -4.88 116.67 114.68 3l6t s ASP 173 Ca -0.14 2.23 0.00 0.00 1.18 0.00 0.00 52.55 55.82 3l6t s ASP 173 Cb 0.17 -2.61 0.00 0.00 -0.34 0.00 0.00 42.92 40.14 3l6t s ASP 173 CO 0.73 -0.42 0.30 0.61 0.68 0.00 0.00 175.17 177.07 3l6t n GLY 174 N 0.74 0.00 3.72 2.12 0.00 -1.25 -4.76 105.19 105.77 3l6t n GLY 174 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3l6t n GLY 174 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3l6t s GLN 175 N -1.80 4.31 -0.12 1.61 -1.52 -1.26 -4.63 119.66 116.25 3l6t s GLN 175 Ca 0.00 2.12 -0.25 0.00 -1.95 0.00 0.00 55.36 55.28 3l6t s GLN 175 Cb 0.00 -3.22 -0.02 0.00 -0.22 0.00 0.00 33.01 29.55 3l6t s GLN 175 CO 0.00 -0.43 0.79 -1.58 -0.25 0.00 0.00 175.29 173.82 3l6t s TRP 176 N 0.89 3.50 0.19 0.91 0.52 -1.26 -0.59 118.94 123.10 3l6t s TRP 176 Ca 0.64 1.28 0.03 0.00 0.02 0.00 0.00 56.10 58.07 3l6t s TRP 176 Cb -0.38 -2.94 -0.05 0.00 -1.15 0.00 0.00 33.47 28.95 3l6t s TRP 176 CO 0.32 -0.10 -0.02 1.03 0.02 0.00 0.00 176.95 178.20 3l6t s ARG 177 N 1.57 1.20 0.62 4.98 1.81 0.08 -4.92 118.95 124.28 3l6t s ARG 177 Ca 0.39 -1.58 -0.18 0.00 -1.72 0.00 0.00 55.73 52.63 3l6t s ARG 177 Cb -0.17 -0.48 -0.02 0.00 -0.45 0.00 0.00 34.95 33.82 3l6t s ARG 177 CO 0.16 -0.08 1.23 0.00 -0.68 0.00 0.00 175.30 175.93 3l6t s ALA 178 N -3.50 2.48 -0.01 2.13 0.00 -1.26 -0.42 121.76 121.17 3l6t s ALA 178 Ca 0.25 1.06 -0.30 0.00 0.00 0.00 0.00 51.96 52.97 3l6t s ALA 178 Cb 0.05 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 3l6t s ALA 178 CO 0.05 -1.32 1.15 -1.17 0.00 0.00 0.00 175.76 174.47 3l6t s LEU 179 N -4.21 4.32 -0.53 0.00 2.96 -1.26 -4.62 118.68 115.34 3l6t s LEU 179 Ca 0.79 1.83 -0.29 0.00 -0.22 0.00 0.00 54.13 56.24 3l6t s LEU 179 Cb -0.32 -3.57 0.03 0.00 0.50 0.00 0.00 46.19 42.83 3l6t s LEU 179 CO 0.36 -0.48 1.16 -0.75 -1.32 0.00 0.00 176.35 175.32 3l6t s LYS 180 N 1.63 3.62 0.00 1.98 2.20 -0.28 -4.91 119.74 123.98 3l6t s LYS 180 Ca 0.55 0.40 0.26 0.00 -0.36 0.00 0.00 55.97 56.83 3l6t s LYS 180 Cb -0.25 -3.96 0.76 0.00 -1.51 0.00 0.00 37.83 32.87 3l6t s LYS 180 CO 0.25 -1.53 1.57 0.27 -0.36 0.00 0.00 175.35 175.55 3l6t n ASN 181 N 8.14 0.92 -0.17 1.43 6.94 -1.26 -4.23 115.26 127.02 3l6t n ASN 181 Ca 0.10 -0.78 -0.09 0.00 -0.02 0.00 0.00 54.58 53.79 3l6t n ASN 181 Cb 0.49 0.13 -0.04 0.00 -2.36 0.00 0.00 39.78 38.01 3l6t n ASN 181 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 3l6t h ASP 182 N 1.01 -1.43 0.34 0.53 5.19 -1.95 -1.42 116.42 118.69 3l6t h ASP 182 Ca 0.00 0.23 -0.07 0.00 -0.62 0.00 0.00 57.03 56.57 3l6t h ASP 182 Cb 0.50 0.64 -0.01 0.00 0.18 0.00 0.00 39.33 40.64 3l6t h ASP 182 CO 0.00 -0.34 -0.32 -0.33 -3.12 0.00 0.00 179.24 175.12 3l6t h GLU 183 N -0.26 0.00 -0.08 3.56 4.39 -1.86 -1.26 114.58 119.06 3l6t h GLU 183 Ca 0.17 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.87 3l6t h GLU 183 Cb 0.57 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 3l6t h GLU 183 CO -0.64 0.32 0.03 1.25 -1.16 0.00 0.00 179.01 178.82 3l6t h LEU 184 N 0.00 0.05 -0.43 1.33 5.85 -1.52 -2.54 115.31 118.05 3l6t h LEU 184 Ca -0.00 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 3l6t h LEU 184 Cb 0.58 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 3l6t h LEU 184 CO 0.04 0.04 -0.06 0.24 -0.34 0.00 0.00 178.44 178.37 3l6t h MET 185 N 0.08 0.81 0.00 1.25 0.00 -1.00 -3.05 114.93 113.01 3l6t h MET 185 Ca 0.03 -0.29 -0.02 0.00 0.00 0.00 0.00 59.70 59.43 3l6t h MET 185 Cb 0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 31.60 31.55 3l6t h MET 185 CO -0.03 0.90 -0.08 -0.09 0.00 0.00 0.00 176.91 177.61 3l6t h ARG 186 N 0.64 0.00 -0.32 1.72 2.43 -1.17 -2.87 114.38 114.81 3l6t h ARG 186 Ca 0.12 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.18 3l6t h ARG 186 Cb 0.58 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.06 3l6t h ARG 186 CO 0.03 0.08 -0.02 0.09 -1.51 0.00 0.00 179.97 178.64 3l6t n ASN 187 N -3.52 3.07 -0.24 -3.80 3.02 -0.96 -4.69 115.26 108.14 3l6t n ASN 187 Ca -0.02 -3.44 -0.00 0.00 -0.03 0.00 0.00 54.58 51.09 3l6t n ASN 187 Cb 0.21 -0.60 0.11 0.00 -0.61 0.00 0.00 39.78 38.90 3l6t n ASN 187 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 3l6t h LYS 188 N 1.27 0.63 -0.65 3.52 3.64 -1.52 -1.45 116.57 122.01 3l6t h LYS 188 Ca 0.13 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 3l6t h LYS 188 Cb 1.58 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 33.23 3l6t h LYS 188 CO 0.33 0.41 0.33 1.98 -2.27 0.00 0.00 179.45 180.23 3l6t h MET 189 N 0.65 0.92 -0.29 1.90 4.05 -1.87 -0.76 114.93 119.53 3l6t h MET 189 Ca 0.32 -0.12 0.03 0.00 -0.28 0.00 0.00 59.70 59.65 3l6t h MET 189 Cb 0.26 -0.17 -0.03 0.00 -0.80 0.00 0.00 31.60 30.86 3l6t h MET 189 CO -0.22 0.72 0.10 1.25 0.23 0.00 0.00 176.91 178.98 3l6t h HIS 190 N 0.89 0.17 -0.72 1.39 -0.00 -1.79 -1.95 115.15 113.15 3l6t h HIS 190 Ca 0.23 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.56 3l6t h HIS 190 Cb 0.08 -0.03 -0.03 0.00 -0.00 0.00 0.00 27.41 27.43 3l6t h HIS 190 CO -0.00 0.07 0.24 -0.07 -0.00 0.00 0.00 177.93 178.17 3l6t h LEU 191 N 0.22 1.03 -1.32 0.26 3.38 -0.95 -1.64 115.31 116.29 3l6t h LEU 191 Ca 0.13 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.93 3l6t h LEU 191 Cb 0.10 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3l6t h LEU 191 CO -0.14 0.95 0.45 1.23 0.09 0.00 0.00 178.44 181.01 3l6t h GLY 192 N 1.11 0.96 1.95 0.83 0.00 -0.91 -2.31 103.07 104.70 3l6t h GLY 192 Ca 0.24 -0.36 -0.16 0.00 0.00 0.00 0.00 47.33 47.04 3l6t h GLY 192 CO -0.01 0.36 -0.74 -0.55 0.00 0.00 0.00 176.54 175.59 3l6t h ASP 193 N 0.93 0.06 -0.10 0.19 3.32 -0.83 -0.47 116.42 119.51 3l6t h ASP 193 Ca 0.25 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 3l6t h ASP 193 Cb -0.10 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.43 3l6t h ASP 193 CO -0.05 0.78 0.05 0.58 -1.72 0.00 0.00 179.24 178.88 3l6t h VAL 194 N 0.03 1.10 -0.14 -1.35 2.07 -1.01 0.74 116.25 117.69 3l6t h VAL 194 Ca -0.01 -0.30 0.03 0.00 0.82 0.00 0.00 66.70 67.24 3l6t h VAL 194 Cb 1.31 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 3l6t h VAL 194 CO 0.10 0.09 -0.07 0.22 0.02 0.00 0.00 177.57 177.93 3l6t h TYR 195 N 0.06 -0.16 -0.08 1.57 3.20 -1.23 -1.15 116.97 119.18 3l6t h TYR 195 Ca 0.04 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.94 3l6t h TYR 195 Cb 0.10 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 3l6t h TYR 195 CO -0.04 -0.11 -0.02 -0.22 -1.64 0.00 0.00 178.16 176.14 3l6t h LYS 196 N -0.06 0.01 -0.65 1.82 3.64 -0.92 -0.29 116.57 120.12 3l6t h LYS 196 Ca 0.08 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.39 3l6t h LYS 196 Cb 0.17 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 3l6t h LYS 196 CO -0.18 0.00 0.13 1.96 -2.27 0.00 0.00 179.45 179.10 3l6t h GLN 197 N 0.01 1.05 -0.41 1.90 4.20 -0.78 -1.79 115.11 119.29 3l6t h GLN 197 Ca 0.04 -0.27 -0.14 0.00 0.06 0.00 0.00 58.65 58.34 3l6t h GLN 197 Cb 0.05 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 3l6t h GLN 197 CO -0.07 0.96 -0.29 0.93 -0.67 0.00 0.00 178.83 179.69 3l6t h GLU 198 N 0.97 0.90 -0.23 1.46 4.39 -1.00 -1.43 114.58 119.65 3l6t h GLU 198 Ca 0.20 -0.42 0.02 0.00 0.34 0.00 0.00 59.36 59.50 3l6t h GLU 198 Cb 0.40 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 3l6t h GLU 198 CO 0.01 1.07 0.09 1.25 -1.16 0.00 0.00 179.01 180.27 3l6t h LEU 199 N 0.76 0.11 -0.73 1.33 5.85 -0.98 -0.73 115.31 120.92 3l6t h LEU 199 Ca 0.09 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 3l6t h LEU 199 Cb 0.86 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.86 3l6t h LEU 199 CO 0.08 0.09 0.41 0.00 -0.34 0.00 0.00 178.44 178.68 3l6t h ALA 200 N 1.13 0.94 -0.47 1.25 0.00 -1.18 -0.52 119.26 120.42 3l6t h ALA 200 Ca 0.10 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3l6t h ALA 200 Cb 0.05 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3l6t h ALA 200 CO -0.09 0.44 0.22 -0.07 0.00 0.00 0.00 179.25 179.75 3l6t h LEU 201 N 1.01 0.62 -0.46 0.00 3.38 -1.11 0.37 115.31 119.11 3l6t h LEU 201 Ca 0.26 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 3l6t h LEU 201 Cb 0.02 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3l6t h LEU 201 CO -0.04 0.58 -0.06 -0.33 0.09 0.00 0.00 178.44 178.67 3l6t h GLU 202 N 0.61 0.85 -0.55 1.13 4.39 -0.85 0.58 114.58 120.75 3l6t h GLU 202 Ca 0.16 -0.30 -0.07 0.00 0.34 0.00 0.00 59.36 59.49 3l6t h GLU 202 Cb 0.13 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 3l6t h GLU 202 CO -0.02 0.93 0.08 -0.07 -1.16 0.00 0.00 179.01 178.78 3l6t h LEU 203 N 0.70 0.88 -0.18 1.33 3.38 -0.98 -1.42 115.31 119.01 3l6t h LEU 203 Ca 0.12 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3l6t h LEU 203 Cb 0.59 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3l6t h LEU 203 CO 0.04 0.92 0.12 0.74 0.09 0.00 0.00 178.44 180.34 3l6t h THR 204 N 0.81 1.05 -0.82 0.22 2.02 -0.73 -1.58 112.91 113.88 3l6t h THR 204 Ca 0.17 -0.10 0.09 0.00 0.77 0.00 0.00 66.41 67.33 3l6t h THR 204 Cb 0.42 0.80 -0.06 0.00 -1.74 0.00 0.00 68.15 67.57 3l6t h THR 204 CO 0.01 0.05 0.53 0.11 0.37 0.00 0.00 175.52 176.59 3l6t h LYS 205 N 0.24 0.77 0.00 6.66 1.57 -0.68 -0.62 116.57 124.50 3l6t h LYS 205 Ca 0.07 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3l6t h LYS 205 Cb -0.02 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.12 3l6t h LYS 205 CO -0.01 0.51 0.00 0.00 -0.57 0.00 0.00 179.45 179.37 3l6t n ALA 206 N -2.43 2.34 -0.17 3.86 0.00 -0.55 -4.90 120.51 118.65 3l6t n ALA 206 Ca 0.13 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3l6t n ALA 206 Cb 0.30 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.30 3l6t n ALA 206 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3l6t n GLY 207 N 1.12 0.91 3.78 0.00 0.00 -0.24 -5.08 105.19 105.68 3l6t n GLY 207 Ca 0.11 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 3l6t n GLY 207 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3l6t s TYR 208 N -2.00 3.72 -0.16 1.61 2.02 -0.65 -5.01 117.35 116.88 3l6t s TYR 208 Ca 0.00 1.75 -0.27 0.00 -0.37 0.00 0.00 57.07 58.18 3l6t s TYR 208 Cb 0.00 -2.89 -0.01 0.00 -0.40 0.00 0.00 41.96 38.66 3l6t s TYR 208 CO 0.00 0.25 0.91 -1.21 -1.57 0.00 0.00 175.55 173.94 3l6t s GLU 209 N -1.94 4.33 0.01 -0.62 0.41 -1.26 -4.52 118.70 115.10 3l6t s GLU 209 Ca 0.48 1.18 0.03 0.00 -0.41 0.00 0.00 54.97 56.25 3l6t s GLU 209 Cb -0.19 -3.57 -0.03 0.00 -1.78 0.00 0.00 34.13 28.55 3l6t s GLU 209 CO 0.24 -0.36 -0.06 -0.51 -0.49 0.00 0.00 175.26 174.08 3l6t s LEU 210 N 2.24 3.22 -0.22 1.80 1.43 -1.26 -0.80 118.68 125.08 3l6t s LEU 210 Ca 0.42 -0.13 -0.08 0.00 -1.03 0.00 0.00 54.13 53.31 3l6t s LEU 210 Cb -0.17 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 3l6t s LEU 210 CO 0.13 0.28 0.09 -0.60 0.23 0.00 0.00 176.35 176.48 3l6t s ARG 211 N -1.48 3.85 -0.16 1.70 3.52 0.17 -4.68 118.95 121.87 3l6t s ARG 211 Ca 0.18 -0.39 -0.08 0.00 -0.13 0.00 0.00 55.73 55.31 3l6t s ARG 211 Cb -0.11 -3.33 -0.04 0.00 -1.56 0.00 0.00 34.95 29.90 3l6t s ARG 211 CO 0.08 0.03 0.12 0.71 -0.81 0.00 0.00 175.30 175.43 3l6t s TYR 212 N 1.07 3.45 -0.47 5.12 2.02 -1.26 -1.36 117.35 125.91 3l6t s TYR 212 Ca 0.05 0.36 -0.15 0.00 -0.37 0.00 0.00 57.07 56.96 3l6t s TYR 212 Cb -0.14 -2.05 0.07 0.00 -0.40 0.00 0.00 41.96 39.44 3l6t s TYR 212 CO 0.03 0.45 0.39 1.21 -1.57 0.00 0.00 175.55 176.06 3l6t s ASN 213 N -0.22 6.12 0.20 2.29 3.84 0.04 -4.96 114.94 122.25 3l6t s ASN 213 Ca 0.10 -1.32 0.05 0.00 0.21 0.00 0.00 52.86 51.90 3l6t s ASN 213 Cb -0.12 -2.17 0.12 0.00 -0.55 0.00 0.00 41.25 38.54 3l6t s ASN 213 CO 0.01 -0.63 1.47 0.77 -2.79 0.00 0.00 177.10 175.92 3l6t h SER 214 N 8.73 0.21 -0.53 -4.21 4.64 -1.97 0.46 113.55 120.89 3l6t h SER 214 Ca -0.28 -0.15 0.04 0.00 -0.47 0.00 0.00 61.79 60.93 3l6t h SER 214 Cb 1.11 -0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 63.09 3l6t h SER 214 CO 0.87 0.88 0.29 0.50 -0.87 0.00 0.00 176.83 178.49 3l6t h LYS 215 N 0.11 0.54 -0.01 4.77 3.64 -1.97 -3.13 116.57 120.52 3l6t h LYS 215 Ca -0.02 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3l6t h LYS 215 Cb 1.32 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 3l6t h LYS 215 CO 0.11 0.36 -0.52 0.09 -2.27 0.00 0.00 179.45 177.22 3l6t n ASN 216 N -4.85 1.95 -3.65 4.20 3.02 -1.15 -4.97 115.26 109.81 3l6t n ASN 216 Ca 0.05 -1.47 -0.24 0.00 -0.03 0.00 0.00 54.58 52.88 3l6t n ASN 216 Cb 0.12 0.52 0.07 0.00 -0.61 0.00 0.00 39.78 39.88 3l6t n ASN 216 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3l6t n ASN 217 N -0.14 -4.86 -4.68 6.41 5.15 0.11 -5.01 115.26 112.24 3l6t n ASN 217 Ca 0.09 -0.63 -0.33 0.00 -0.60 0.00 0.00 54.58 53.11 3l6t n ASN 217 Cb 0.46 -4.71 -0.07 0.00 -0.53 0.00 0.00 39.78 34.93 3l6t n ASN 217 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3l6t s THR 218 N -3.35 0.95 0.14 -0.44 -4.23 -0.94 -4.97 115.64 102.79 3l6t s THR 218 Ca 0.46 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.87 3l6t s THR 218 Cb -0.21 -2.06 -0.00 0.00 1.34 0.00 0.00 72.50 71.57 3l6t s THR 218 CO 0.76 0.00 0.26 0.72 -0.54 0.00 0.00 174.62 175.82 3l6t s PHE 219 N -2.94 0.27 0.31 3.99 -0.71 -1.26 -0.78 117.98 116.86 3l6t s PHE 219 Ca 0.04 -0.66 -0.04 0.00 -1.04 0.00 0.00 56.93 55.23 3l6t s PHE 219 Cb 0.00 -0.04 0.02 0.00 -1.21 0.00 0.00 43.02 41.80 3l6t s PHE 219 CO 0.02 -0.66 0.48 -3.47 -1.34 0.00 0.00 175.22 170.26 3l6t n ASP 220 N -0.16 -1.37 -4.76 1.98 -0.08 -0.47 -4.84 116.55 106.85 3l6t n ASP 220 Ca -0.11 -2.57 -0.41 0.00 -1.51 0.00 0.00 54.79 50.20 3l6t n ASP 220 Cb 0.63 2.46 -0.02 0.00 2.34 0.00 0.00 41.12 46.53 3l6t n ASP 220 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 3l6t s MET 221 N -2.54 4.38 0.22 -0.67 -1.94 -1.26 -0.66 119.30 116.83 3l6t s MET 221 Ca 0.22 2.17 -0.06 0.00 -1.71 0.00 0.00 55.69 56.31 3l6t s MET 221 Cb -0.02 -3.10 0.19 0.00 2.01 0.00 0.00 34.83 33.92 3l6t s MET 221 CO 0.16 -0.17 1.71 0.00 -0.01 0.00 0.00 175.02 176.71 3l6t h ALA 222 N 3.71 0.97 -0.02 3.03 0.00 -1.24 -3.40 119.26 122.31 3l6t h ALA 222 Ca -0.48 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.15 3l6t h ALA 222 Cb 1.22 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3l6t h ALA 222 CO 0.67 0.63 0.00 -2.39 0.00 0.00 0.00 179.25 178.17