#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a6t h PHE 36 N 0.00 1.11 -0.04 0.00 3.57 -2.05 -2.57 116.94 116.96 2a6t h PHE 36 Ca 0.00 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.36 2a6t h PHE 36 Cb 0.00 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.38 2a6t h PHE 36 CO 0.00 0.44 -0.72 1.96 -2.23 0.00 0.00 178.31 177.76 2a6t h GLN 37 N 0.97 0.25 -0.14 1.11 1.08 -2.05 -1.64 115.11 114.69 2a6t h GLN 37 Ca 0.49 -0.21 -0.14 0.00 -1.45 0.00 0.00 58.65 57.35 2a6t h GLN 37 Cb 0.51 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 2a6t h GLN 37 CO -0.26 0.87 -0.45 0.82 -0.95 0.00 0.00 178.83 178.86 2a6t h ILE 38 N 0.17 1.35 -0.85 2.54 5.03 -1.95 -1.94 117.51 121.86 2a6t h ILE 38 Ca -0.02 -1.73 0.13 0.00 -0.12 0.00 0.00 64.86 63.11 2a6t h ILE 38 Cb 1.28 2.07 -0.09 0.00 -3.03 0.00 0.00 36.82 37.05 2a6t h ILE 38 CO 0.11 0.52 0.46 -0.33 -0.68 0.00 0.00 178.15 178.24 2a6t h GLU 39 N 0.17 0.67 -0.25 2.37 5.08 -1.44 0.13 114.58 121.32 2a6t h GLU 39 Ca -0.02 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 2a6t h GLU 39 Cb 1.07 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 2a6t h GLU 39 CO 0.09 0.44 -0.02 0.37 -1.00 0.00 0.00 179.01 178.90 2a6t h GLN 40 N 0.69 0.45 0.00 2.33 5.75 -1.14 -0.93 115.11 122.26 2a6t h GLN 40 Ca 0.45 -0.15 -0.09 0.00 -0.15 0.00 0.00 58.65 58.70 2a6t h GLN 40 Cb 0.57 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.07 2a6t h GLN 40 CO -0.32 0.64 -0.44 0.00 -2.65 0.00 0.00 178.83 176.06 2a6t h ALA 41 N 0.79 1.07 -0.09 3.38 0.00 -1.13 0.20 119.26 123.49 2a6t h ALA 41 Ca 0.07 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 2a6t h ALA 41 Cb 0.45 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2a6t h ALA 41 CO 0.02 0.55 -0.04 1.25 0.00 0.00 0.00 179.25 181.02 2a6t h HIS 42 N 0.00 0.21 -0.00 0.00 -0.00 -0.39 -0.14 115.15 114.83 2a6t h HIS 42 Ca -0.00 -0.05 -0.15 0.00 -0.00 0.00 0.00 60.37 60.17 2a6t h HIS 42 Cb 0.89 -0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 28.23 2a6t h HIS 42 CO 0.00 0.54 -0.70 -1.49 -0.00 0.00 0.00 177.93 176.28 2a6t h TRP 43 N -0.18 0.03 -0.37 5.26 -0.00 -1.10 0.50 115.95 120.09 2a6t h TRP 43 Ca 0.02 -0.01 -0.05 0.00 -0.00 0.00 0.00 58.89 58.85 2a6t h TRP 43 Cb 0.48 -0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 29.62 2a6t h TRP 43 CO 0.07 0.71 0.01 0.35 -0.00 0.00 0.00 178.44 179.57 2a6t h PHE 44 N 0.01 0.60 0.16 0.49 3.57 -0.90 -1.55 116.94 119.31 2a6t h PHE 44 Ca -0.01 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 2a6t h PHE 44 Cb 1.23 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.80 2a6t h PHE 44 CO 0.00 0.57 -0.08 -0.92 -2.23 0.00 0.00 178.31 175.66 2a6t h TYR 45 N 0.55 -0.20 -0.58 0.41 3.20 -0.42 -2.29 116.97 117.64 2a6t h TYR 45 Ca 0.12 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.88 2a6t h TYR 45 Cb 0.34 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.65 2a6t h TYR 45 CO 0.01 0.20 -0.06 0.93 -1.64 0.00 0.00 178.16 177.61 2a6t h GLU 46 N -0.93 1.06 0.11 1.82 4.39 -0.93 -1.94 114.58 118.16 2a6t h GLU 46 Ca -0.02 -0.37 -0.35 0.00 0.34 0.00 0.00 59.36 58.96 2a6t h GLU 46 Cb 0.48 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.03 2a6t h GLU 46 CO 0.04 1.07 -1.92 -0.44 -1.16 0.00 0.00 179.01 176.59 2a6t h ASP 47 N 0.96 0.35 0.00 1.42 3.32 -1.45 -3.39 116.42 117.63 2a6t h ASP 47 Ca 0.16 -0.78 0.00 0.00 0.02 0.00 0.00 57.03 56.43 2a6t h ASP 47 Cb 0.62 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.06 2a6t h ASP 47 CO 0.04 1.69 -0.55 0.33 -1.72 0.00 0.00 179.24 179.04 2a6t n PHE 48 N -3.41 0.39 -0.14 4.55 7.35 -0.91 -3.92 117.46 121.37 2a6t n PHE 48 Ca -0.28 0.17 -0.08 0.00 -0.76 0.00 0.00 57.45 56.49 2a6t n PHE 48 Cb 1.05 -0.53 0.00 0.00 0.35 0.00 0.00 39.48 40.36 2a6t n PHE 48 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 2a6t h ILE 49 N -0.75 1.16 0.00 -2.13 2.04 -1.27 -2.05 117.51 114.50 2a6t h ILE 49 Ca 0.00 -0.41 -0.04 0.00 1.00 0.00 0.00 64.86 65.41 2a6t h ILE 49 Cb 0.55 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 2a6t h ILE 49 CO 0.00 0.17 -0.18 0.03 0.00 0.00 0.00 178.15 178.17 2a6t h ARG 50 N 0.56 0.00 -0.25 2.37 3.08 -1.55 -2.37 114.38 116.22 2a6t h ARG 50 Ca 0.15 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.20 2a6t h ARG 50 Cb 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 2a6t h ARG 50 CO -0.02 0.18 0.14 0.00 -1.07 0.00 0.00 179.97 179.20 2a6t h ALA 51 N 1.82 0.32 -0.91 0.04 0.00 -1.49 -2.91 119.26 116.13 2a6t h ALA 51 Ca -0.00 -0.06 -0.65 0.00 0.00 0.00 0.00 54.91 54.20 2a6t h ALA 51 Cb 0.58 -0.10 -0.26 0.00 0.00 0.00 0.00 17.79 18.02 2a6t h ALA 51 CO 0.02 -0.16 0.85 1.04 0.00 0.00 0.00 179.25 181.00 2a6t n GLN 52 N -4.86 2.59 0.00 0.00 6.02 -0.90 -4.67 117.38 115.55 2a6t n GLN 52 Ca -0.03 -3.10 0.00 0.00 -0.01 0.00 0.00 57.00 53.87 2a6t n GLN 52 Cb 0.07 -2.20 0.00 0.00 1.02 0.00 0.00 30.24 29.13 2a6t n GLN 52 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2a6t n ASN 53 N -0.52 -0.00 -1.53 1.08 4.05 -1.17 -5.01 115.26 112.15 2a6t n ASN 53 Ca 0.55 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.59 2a6t n ASN 53 Cb 0.51 0.15 0.00 0.00 1.23 0.00 0.00 39.78 41.67 2a6t n ASN 53 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 2a6t n ASP 54 N -1.80 -6.33 -3.64 1.20 -0.08 -1.10 -5.07 116.55 99.72 2a6t n ASP 54 Ca 0.00 0.90 0.01 0.00 -1.51 0.00 0.00 54.79 54.20 2a6t n ASP 54 Cb 0.00 -3.51 -0.06 0.00 2.34 0.00 0.00 41.12 39.89 2a6t n ASP 54 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2a6t s SER 58 N -0.33 -0.15 0.01 1.67 0.15 -1.26 -5.12 113.70 108.67 2a6t s SER 58 Ca 0.00 0.24 0.01 0.00 0.70 0.00 0.00 55.95 56.90 2a6t s SER 58 Cb 0.00 1.06 -0.01 0.00 -1.71 0.00 0.00 66.02 65.37 2a6t s SER 58 CO 0.00 -0.04 -0.04 -0.76 1.20 0.00 0.00 173.24 173.60 2a6t s LEU 59 N 1.12 2.07 0.83 3.45 2.01 -1.26 -4.65 118.68 122.25 2a6t s LEU 59 Ca -0.08 -0.18 -0.11 0.00 0.01 0.00 0.00 54.13 53.76 2a6t s LEU 59 Cb -0.02 -0.15 0.09 0.00 0.01 0.00 0.00 46.19 46.12 2a6t s LEU 59 CO -0.11 -0.03 1.09 -0.83 1.01 0.00 0.00 176.35 177.48 2a6t s GLY 60 N -0.46 1.64 0.21 -3.19 0.00 -1.25 -4.29 107.32 99.98 2a6t s GLY 60 Ca -0.02 0.05 -0.09 0.00 0.00 0.00 0.00 44.72 44.66 2a6t s GLY 60 CO -0.00 0.47 1.86 -2.00 0.00 0.00 0.00 173.10 173.43 2a6t h LEU 61 N -1.32 0.77 -0.53 0.66 6.46 -1.75 -0.94 115.31 118.67 2a6t h LEU 61 Ca -0.47 -0.00 0.01 0.00 -0.12 0.00 0.00 57.88 57.30 2a6t h LEU 61 Cb 1.26 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.99 2a6t h LEU 61 CO 0.54 0.53 0.34 -0.09 -0.62 0.00 0.00 178.44 179.15 2a6t h ARG 62 N 0.92 0.67 -0.09 1.25 2.43 -1.90 -2.59 114.38 115.07 2a6t h ARG 62 Ca 0.30 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.35 2a6t h ARG 62 Cb 0.01 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 2a6t h ARG 62 CO -0.11 0.45 -0.25 0.28 -1.51 0.00 0.00 179.97 178.83 2a6t h VAL 63 N 0.69 1.41 -0.09 0.20 2.07 -1.81 -2.50 116.25 116.23 2a6t h VAL 63 Ca 0.20 -1.59 0.03 0.00 0.82 0.00 0.00 66.70 66.15 2a6t h VAL 63 Cb -0.05 2.21 -0.06 0.00 -1.52 0.00 0.00 31.29 31.87 2a6t h VAL 63 CO -0.06 0.46 -0.51 0.15 0.02 0.00 0.00 177.57 177.63 2a6t h PHE 64 N -0.14 -1.50 -0.07 1.57 3.57 -1.11 0.11 116.94 119.36 2a6t h PHE 64 Ca -0.01 0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.57 2a6t h PHE 64 Cb 0.87 0.67 -0.00 0.00 2.79 0.00 0.00 35.95 40.27 2a6t h PHE 64 CO 0.12 -0.52 0.05 0.66 -2.23 0.00 0.00 178.31 176.39 2a6t h SER 65 N -0.57 0.00 -0.15 0.41 4.64 -1.54 -1.49 113.55 114.85 2a6t h SER 65 Ca 0.02 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.30 2a6t h SER 65 Cb 0.65 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.73 2a6t h SER 65 CO -0.39 0.00 -0.08 0.00 -0.87 0.00 0.00 176.83 175.49 2a6t h ALA 66 N 1.96 0.21 -0.72 5.18 0.00 -0.77 -3.15 119.26 121.97 2a6t h ALA 66 Ca 0.03 -0.28 0.15 0.00 0.00 0.00 0.00 54.91 54.81 2a6t h ALA 66 Cb 0.14 -0.05 -0.14 0.00 0.00 0.00 0.00 17.79 17.74 2a6t h ALA 66 CO -0.00 0.03 -0.15 0.87 0.00 0.00 0.00 179.25 180.00 2a6t h LYS 67 N -0.02 0.01 0.00 0.00 1.79 0.25 -3.51 116.57 115.10 2a6t h LYS 67 Ca 0.03 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 2a6t h LYS 67 Cb 0.56 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 2a6t h LYS 67 CO 0.02 0.01 0.00 1.28 -1.08 0.00 0.00 179.45 179.68 2a6t n LEU 68 N -5.46 0.00 0.00 2.94 4.77 -1.12 -5.13 117.00 113.01 2a6t n LEU 68 Ca 0.10 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 2a6t n LEU 68 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2a6t n LEU 68 CO 0.01 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.45 2a6t n GLU 83 N -0.51 0.00 -0.12 3.23 4.71 -1.26 -5.00 120.64 121.69 2a6t n GLU 83 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 57.16 56.90 2a6t n GLU 83 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 31.44 30.34 2a6t n GLU 83 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2a6t n GLU 84 N 0.21 0.53 -0.21 3.49 -0.58 -1.26 -3.70 120.64 119.12 2a6t n GLU 84 Ca 0.00 0.21 0.01 0.00 -0.42 0.00 0.00 57.16 56.96 2a6t n GLU 84 Cb 0.00 -1.39 0.12 0.00 -0.57 0.00 0.00 31.44 29.60 2a6t n GLU 84 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2a6t h ALA 85 N -0.73 0.78 -0.65 0.62 0.00 -2.06 -0.32 119.26 116.90 2a6t h ALA 85 Ca -0.61 0.11 0.12 0.00 0.00 0.00 0.00 54.91 54.53 2a6t h ALA 85 Cb 1.59 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 19.41 2a6t h ALA 85 CO -0.33 -0.25 0.20 0.35 0.00 0.00 0.00 179.25 179.22 2a6t h PHE 86 N 0.34 0.33 -0.99 0.00 3.57 -2.01 -2.64 116.94 115.53 2a6t h PHE 86 Ca 0.32 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.87 2a6t h PHE 86 Cb 0.45 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.10 2a6t h PHE 86 CO -0.21 0.02 0.65 0.22 -2.23 0.00 0.00 178.31 176.76 2a6t h ASP 87 N 0.34 1.13 0.82 0.41 1.82 -1.15 -2.48 116.42 117.31 2a6t h ASP 87 Ca 0.35 -0.03 -0.21 0.00 -0.39 0.00 0.00 57.03 56.75 2a6t h ASP 87 Cb 0.50 -0.28 -0.02 0.00 0.68 0.00 0.00 39.33 40.21 2a6t h ASP 87 CO -0.39 0.82 -0.97 0.44 -1.61 0.00 0.00 179.24 177.54 2a6t h ASP 88 N 1.34 0.12 -0.51 2.28 3.32 -1.16 -1.80 116.42 120.00 2a6t h ASP 88 Ca 0.36 -0.11 0.08 0.00 0.02 0.00 0.00 57.03 57.38 2a6t h ASP 88 Cb -0.15 -0.04 -0.07 0.00 0.22 0.00 0.00 39.33 39.30 2a6t h ASP 88 CO -0.08 1.01 0.15 0.15 -1.72 0.00 0.00 179.24 178.75 2a6t h PHE 89 N 0.03 0.25 0.00 4.55 3.57 -1.41 -1.45 116.94 122.47 2a6t h PHE 89 Ca -0.04 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 2a6t h PHE 89 Cb 1.67 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 40.37 2a6t h PHE 89 CO 0.02 0.05 -0.14 1.25 -2.23 0.00 0.00 178.31 177.25 2a6t h LEU 90 N 0.30 0.00 0.17 0.59 5.85 -1.21 -0.46 115.31 120.56 2a6t h LEU 90 Ca 0.25 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.69 2a6t h LEU 90 Cb 0.31 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.36 2a6t h LEU 90 CO -0.29 0.14 -1.31 0.03 -0.34 0.00 0.00 178.44 176.67 2a6t h ARG 91 N 0.00 0.37 0.00 1.25 3.08 -0.80 -3.17 114.38 115.10 2a6t h ARG 91 Ca -0.00 -0.62 0.00 0.00 0.07 0.00 0.00 59.98 59.42 2a6t h ARG 91 Cb 0.53 0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.81 2a6t h ARG 91 CO 0.02 1.30 -0.08 1.88 -1.07 0.00 0.00 179.97 182.01 2a6t h TYR 92 N -0.14 0.00 -0.01 3.04 0.99 -1.06 -3.28 116.97 116.51 2a6t h TYR 92 Ca -0.25 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.48 2a6t h TYR 92 Cb 1.89 0.00 0.00 0.00 1.00 0.00 0.00 36.73 39.62 2a6t h TYR 92 CO 0.14 0.00 -0.12 1.63 -0.00 0.00 0.00 178.16 179.82 2a6t n LYS 93 N -2.32 1.33 0.11 4.88 4.76 -0.20 -4.82 118.16 121.90 2a6t n LYS 93 Ca 0.05 -1.04 -0.06 0.00 -2.87 0.00 0.00 58.31 54.39 2a6t n LYS 93 Cb 0.44 -1.22 -0.03 0.00 -1.84 0.00 0.00 35.03 32.38 2a6t n LYS 93 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 2a6t h THR 94 N 2.12 0.00 0.00 -0.18 1.35 -1.61 -3.46 112.91 111.12 2a6t h THR 94 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2a6t h THR 94 Cb 0.51 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.93 2a6t h THR 94 CO 0.00 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 175.81 2a6t n ARG 95 N -3.35 0.00 -1.10 4.72 5.12 -1.26 -4.13 116.66 116.66 2a6t n ARG 95 Ca -0.04 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.88 2a6t n ARG 95 Cb 0.16 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.46 2a6t n ARG 95 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 2a6t n ILE 96 N 0.00 -2.19 -0.94 0.55 5.41 -1.26 -4.99 119.36 115.93 2a6t n ILE 96 Ca 0.00 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.42 2a6t n ILE 96 Cb 0.00 -2.95 0.13 0.00 -0.71 0.00 0.00 39.64 36.11 2a6t n ILE 96 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2a6t n PRO 97 N 0.17 -0.08 -4.75 0.38 -0.02 -1.26 -4.76 135.00 124.67 2a6t n PRO 97 Ca 0.00 0.04 -0.25 0.00 -2.02 0.00 0.00 63.50 61.27 2a6t n PRO 97 Cb 0.00 -2.16 -0.16 0.00 -0.02 0.00 0.00 33.50 31.16 2a6t n PRO 97 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2a6t s VAL 98 N -2.28 1.31 0.09 -1.45 1.01 -0.60 -1.94 120.40 116.54 2a6t s VAL 98 Ca 0.66 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 62.04 2a6t s VAL 98 Cb -0.26 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 2a6t s VAL 98 CO 0.58 0.38 -0.13 -0.13 0.00 0.00 0.00 175.10 175.80 2a6t s ARG 99 N 0.07 0.87 0.07 2.72 3.00 -0.75 -1.47 118.95 123.45 2a6t s ARG 99 Ca -0.04 -1.06 -0.16 0.00 0.00 0.00 0.00 55.73 54.47 2a6t s ARG 99 Cb -0.11 -0.78 0.06 0.00 0.00 0.00 0.00 34.95 34.11 2a6t s ARG 99 CO 0.02 0.16 0.77 0.41 0.00 0.00 0.00 175.30 176.65 2a6t n GLY 100 N 0.97 0.64 2.96 -3.53 0.00 -0.92 -1.91 105.19 103.40 2a6t n GLY 100 Ca -0.19 -1.04 -0.16 0.00 0.00 0.00 0.00 46.02 44.63 2a6t n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a6t s ALA 101 N -1.70 0.47 -0.54 4.61 0.00 -0.58 -1.08 121.76 122.95 2a6t s ALA 101 Ca 0.17 -0.22 -0.20 0.00 0.00 0.00 0.00 51.96 51.71 2a6t s ALA 101 Cb -0.01 -0.14 0.07 0.00 0.00 0.00 0.00 23.12 23.04 2a6t s ALA 101 CO 0.02 0.11 0.70 0.42 0.00 0.00 0.00 175.76 177.01 2a6t s ILE 102 N -0.06 4.77 -0.16 0.00 1.01 -0.13 -3.93 121.20 122.69 2a6t s ILE 102 Ca 0.01 -0.48 -0.16 0.00 0.00 0.00 0.00 60.65 60.02 2a6t s ILE 102 Cb -0.03 -4.39 -0.04 0.00 0.01 0.00 0.00 42.46 38.01 2a6t s ILE 102 CO -0.00 -0.95 0.41 -0.04 0.00 0.00 0.00 174.94 174.36 2a6t s MET 103 N 2.90 4.26 0.39 2.79 -1.94 -1.26 -1.55 119.30 124.89 2a6t s MET 103 Ca 0.17 0.29 0.08 0.00 -1.71 0.00 0.00 55.69 54.51 2a6t s MET 103 Cb -0.19 -3.47 -0.07 0.00 2.01 0.00 0.00 34.83 33.10 2a6t s MET 103 CO 0.12 0.09 -0.01 -0.51 -0.01 0.00 0.00 175.02 174.70 2a6t s LEU 104 N 0.88 2.85 0.00 -0.03 1.43 -0.25 -2.24 118.68 121.32 2a6t s LEU 104 Ca 0.21 -1.29 0.00 0.00 -1.03 0.00 0.00 54.13 52.02 2a6t s LEU 104 Cb -0.14 -0.97 0.00 0.00 0.03 0.00 0.00 46.19 45.10 2a6t s LEU 104 CO 0.08 -0.38 0.57 -0.67 0.23 0.00 0.00 176.35 176.19 2a6t n ASP 105 N -0.93 0.00 0.00 2.29 2.03 -0.93 -1.58 116.55 117.43 2a6t n ASP 105 Ca -0.05 0.61 0.00 0.00 0.52 0.00 0.00 54.79 55.87 2a6t n ASP 105 Cb 0.66 -0.20 0.00 0.00 -0.72 0.00 0.00 41.12 40.86 2a6t n ASP 105 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08 2a6t n MET 106 N -1.09 0.00 0.00 -0.67 0.00 -1.26 -1.38 117.12 112.71 2a6t n MET 106 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 57.70 57.85 2a6t n MET 106 Cb 0.00 0.00 0.73 0.00 0.00 0.00 0.00 33.22 33.95 2a6t n MET 106 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 2a6t n SER 107 N 0.00 0.01 -3.85 6.12 3.41 -1.26 -4.84 113.62 113.21 2a6t n SER 107 Ca 0.00 -0.02 -0.27 0.00 -0.26 0.00 0.00 58.87 58.32 2a6t n SER 107 Cb 0.00 -0.32 0.02 0.00 -0.26 0.00 0.00 64.21 63.65 2a6t n SER 107 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2a6t n MET 108 N -1.32 -5.00 -0.00 4.33 2.81 -1.26 -4.90 117.12 111.77 2a6t n MET 108 Ca 0.13 0.58 0.02 0.00 -1.81 0.00 0.00 57.70 56.62 2a6t n MET 108 Cb 0.26 -5.27 -0.03 0.00 -0.71 0.00 0.00 33.22 27.48 2a6t n MET 108 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2a6t n GLN 109 N -4.49 4.66 -4.20 0.03 6.02 -1.26 -4.90 117.38 113.23 2a6t n GLN 109 Ca -0.12 -0.01 -0.13 0.00 -0.01 0.00 0.00 57.00 56.73 2a6t n GLN 109 Cb 0.60 -0.77 -0.10 0.00 1.02 0.00 0.00 30.24 30.98 2a6t n GLN 109 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2a6t s GLN 110 N -1.56 0.92 0.13 -1.09 -0.21 -1.26 -1.37 119.66 115.23 2a6t s GLN 110 Ca 0.01 -1.31 -0.04 0.00 0.02 0.00 0.00 55.36 54.04 2a6t s GLN 110 Cb 0.03 -0.48 -0.03 0.00 1.00 0.00 0.00 33.01 33.53 2a6t s GLN 110 CO 0.18 0.05 0.13 0.00 -2.12 0.00 0.00 175.29 173.53 2a6t s VAL 112 N -4.01 5.35 0.18 0.00 1.01 -0.95 -1.21 120.40 120.78 2a6t s VAL 112 Ca 0.20 0.30 0.11 0.00 0.00 0.00 0.00 61.98 62.59 2a6t s VAL 112 Cb 0.06 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 2a6t s VAL 112 CO -0.00 0.38 -0.24 -0.76 0.00 0.00 0.00 175.10 174.48 2a6t s LEU 113 N 0.73 2.42 0.12 3.92 1.43 -0.55 -4.64 118.68 122.11 2a6t s LEU 113 Ca 0.10 -0.85 0.09 0.00 -1.03 0.00 0.00 54.13 52.45 2a6t s LEU 113 Cb -0.13 -1.13 -0.04 0.00 0.03 0.00 0.00 46.19 44.93 2a6t s LEU 113 CO 0.02 0.11 -0.23 -0.69 0.23 0.00 0.00 176.35 175.79 2a6t s VAL 114 N -1.64 1.92 0.01 -1.59 1.01 0.14 -2.24 120.40 118.01 2a6t s VAL 114 Ca 0.19 -1.65 0.02 0.00 0.00 0.00 0.00 61.98 60.55 2a6t s VAL 114 Cb -0.08 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.56 2a6t s VAL 114 CO 0.09 -0.02 -0.07 -0.75 0.00 0.00 0.00 175.10 174.34 2a6t s LYS 115 N -2.02 0.54 -0.13 2.72 2.20 -0.98 -1.78 119.74 120.28 2a6t s LYS 115 Ca 0.10 -0.37 -0.01 0.00 -0.36 0.00 0.00 55.97 55.33 2a6t s LYS 115 Cb -0.10 -0.49 -0.02 0.00 -1.51 0.00 0.00 37.83 35.72 2a6t s LYS 115 CO 0.05 0.13 -0.11 -1.58 -0.36 0.00 0.00 175.35 173.48 2a6t s TRP 123 N -0.44 2.87 0.13 4.03 0.52 0.81 -3.78 118.94 123.08 2a6t s TRP 123 Ca -0.00 -0.54 -0.19 0.00 0.02 0.00 0.00 56.10 55.39 2a6t s TRP 123 Cb -0.04 -1.87 0.05 0.00 -1.15 0.00 0.00 33.47 30.46 2a6t s TRP 123 CO -0.00 -0.15 0.48 0.20 0.02 0.00 0.00 176.95 177.49 2a6t s GLY 124 N 0.33 -0.40 0.40 0.98 0.00 -0.74 -4.30 107.32 103.59 2a6t s GLY 124 Ca -0.09 0.18 -0.27 0.00 0.00 0.00 0.00 44.72 44.55 2a6t s GLY 124 CO 0.05 -0.10 1.42 -1.36 0.00 0.00 0.00 173.10 173.10 2a6t s PHE 125 N -3.68 2.62 0.11 1.90 2.99 -1.26 -0.68 117.98 119.98 2a6t s PHE 125 Ca 0.02 1.27 -0.31 0.00 0.00 0.00 0.00 56.93 57.90 2a6t s PHE 125 Cb 0.01 -3.89 -0.09 0.00 0.00 0.00 0.00 43.02 39.04 2a6t s PHE 125 CO -0.12 -2.71 1.66 -1.25 -0.00 0.00 0.00 175.22 172.80 2a6t s PRO 126 N -2.22 4.19 -0.09 0.24 0.04 -1.25 -4.87 135.00 131.05 2a6t s PRO 126 Ca 0.56 2.39 -0.32 0.00 0.04 0.00 0.00 61.00 63.67 2a6t s PRO 126 Cb -0.43 -3.44 0.12 0.00 0.04 0.00 0.00 34.50 30.78 2a6t s PRO 126 CO 0.57 -0.71 1.16 -1.59 0.04 0.00 0.00 177.00 176.47 2a6t s LYS 127 N 2.15 0.48 0.04 4.56 -2.85 -1.26 -1.52 119.74 121.34 2a6t s LYS 127 Ca 0.74 -0.22 -0.23 0.00 -1.00 0.00 0.00 55.97 55.27 2a6t s LYS 127 Cb -0.42 0.20 0.08 0.00 -2.06 0.00 0.00 37.83 35.62 2a6t s LYS 127 CO 0.33 -0.21 1.04 0.41 0.10 0.00 0.00 175.35 177.01 2a6t n GLY 128 N -0.26 0.41 3.76 0.59 0.00 -0.81 -4.98 105.19 103.90 2a6t n GLY 128 Ca -0.04 -1.05 -0.40 0.00 0.00 0.00 0.00 46.02 44.53 2a6t n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a6t s LYS 129 N -2.02 4.69 0.43 1.61 1.02 -1.26 -1.81 119.74 122.40 2a6t s LYS 129 Ca 0.24 1.69 -0.24 0.00 0.02 0.00 0.00 55.97 57.69 2a6t s LYS 129 Cb -0.01 -3.19 -0.08 0.00 -0.52 0.00 0.00 37.83 34.02 2a6t s LYS 129 CO 0.01 0.30 1.15 -1.50 -0.92 0.00 0.00 175.35 174.40 2a6t s ILE 130 N -1.19 3.19 0.38 2.17 2.07 -0.82 -4.91 121.20 122.10 2a6t s ILE 130 Ca 0.44 0.94 -0.05 0.00 -1.41 0.00 0.00 60.65 60.56 2a6t s ILE 130 Cb -0.30 -3.50 -0.05 0.00 0.13 0.00 0.00 42.46 38.75 2a6t s ILE 130 CO 0.38 0.03 0.66 -1.81 -1.91 0.00 0.00 174.94 172.29 2a6t s ASP 131 N -1.29 6.38 0.27 4.50 1.01 -1.26 -4.92 116.67 121.35 2a6t s ASP 131 Ca 0.60 0.81 -0.30 0.00 0.71 0.00 0.00 52.55 54.38 2a6t s ASP 131 Cb -0.29 -2.19 -0.14 0.00 1.01 0.00 0.00 42.92 41.32 2a6t s ASP 131 CO 0.35 -0.36 1.19 1.17 0.21 0.00 0.00 175.17 177.73 2a6t n LYS 132 N -1.54 1.63 -2.87 8.23 4.81 -1.26 -2.83 118.16 124.32 2a6t n LYS 132 Ca -0.01 0.57 -0.18 0.00 -0.87 0.00 0.00 58.31 57.83 2a6t n LYS 132 Cb 0.55 -2.08 0.00 0.00 0.02 0.00 0.00 35.03 33.52 2a6t n LYS 132 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2a6t n ASP 133 N 1.51 -4.18 -4.40 3.14 8.00 -1.26 -4.96 116.55 114.40 2a6t n ASP 133 Ca 0.10 -0.10 -0.24 0.00 0.71 0.00 0.00 54.79 55.26 2a6t n ASP 133 Cb 0.31 -3.49 -0.11 0.00 -0.02 0.00 0.00 41.12 37.82 2a6t n ASP 133 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2a6t s GLU 134 N -5.50 1.46 0.47 -1.24 2.12 -1.13 -5.15 118.70 109.74 2a6t s GLU 134 Ca 0.20 -1.54 -0.10 0.00 0.36 0.00 0.00 54.97 53.88 2a6t s GLU 134 Cb -0.10 -1.61 -0.05 0.00 0.26 0.00 0.00 34.13 32.63 2a6t s GLU 134 CO 0.24 0.33 0.84 -1.12 -0.54 0.00 0.00 175.26 175.01 2a6t s SER 135 N -2.90 6.42 0.18 -1.70 0.01 -1.26 -4.85 113.70 109.60 2a6t s SER 135 Ca 0.21 1.18 -0.19 0.00 1.31 0.00 0.00 55.95 58.46 2a6t s SER 135 Cb -0.06 -2.35 0.12 0.00 0.21 0.00 0.00 66.02 63.94 2a6t s SER 135 CO 0.10 -0.54 1.62 0.44 0.41 0.00 0.00 173.24 175.26 2a6t h ASP 136 N 0.69 -0.83 -0.05 2.44 3.32 -1.99 -0.39 116.42 119.61 2a6t h ASP 136 Ca -0.47 0.18 -0.18 0.00 0.02 0.00 0.00 57.03 56.58 2a6t h ASP 136 Cb 1.19 0.44 -0.00 0.00 0.22 0.00 0.00 39.33 41.18 2a6t h ASP 136 CO 0.63 -0.26 -0.62 0.58 -1.72 0.00 0.00 179.24 177.85 2a6t h VAL 137 N -0.14 1.31 -0.49 -1.35 2.07 -1.99 -2.71 116.25 112.95 2a6t h VAL 137 Ca 0.22 -1.86 -0.13 0.00 0.82 0.00 0.00 66.70 65.75 2a6t h VAL 137 Cb 0.49 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 2a6t h VAL 137 CO -0.56 0.59 -0.21 0.44 0.02 0.00 0.00 177.57 177.84 2a6t h ASP 138 N 0.49 1.02 -0.42 0.57 3.32 -1.91 0.02 116.42 119.50 2a6t h ASP 138 Ca -0.01 -0.38 0.07 0.00 0.02 0.00 0.00 57.03 56.73 2a6t h ASP 138 Cb 1.20 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 40.40 2a6t h ASP 138 CO 0.12 1.18 0.03 0.00 -1.72 0.00 0.00 179.24 178.85 2a6t h ALA 140 N 1.35 0.91 -0.48 0.00 0.00 -1.15 -1.33 119.26 118.56 2a6t h ALA 140 Ca 0.21 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 2a6t h ALA 140 Cb 0.29 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2a6t h ALA 140 CO -0.32 0.62 0.15 0.82 0.00 0.00 0.00 179.25 180.52 2a6t h ILE 141 N 0.54 1.23 -0.22 0.00 2.04 -0.30 -1.96 117.51 118.84 2a6t h ILE 141 Ca 0.06 -0.77 -0.07 0.00 1.00 0.00 0.00 64.86 65.09 2a6t h ILE 141 Cb 0.80 0.82 -0.00 0.00 -0.74 0.00 0.00 36.82 37.69 2a6t h ILE 141 CO 0.07 0.28 -0.14 -0.09 0.00 0.00 0.00 178.15 178.27 2a6t h ARG 142 N 0.64 0.48 -0.48 2.37 2.43 -0.86 -2.20 114.38 116.76 2a6t h ARG 142 Ca 0.15 -0.22 -0.08 0.00 -0.81 0.00 0.00 59.98 59.02 2a6t h ARG 142 Cb 0.28 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 2a6t h ARG 142 CO -0.00 0.78 -0.03 0.93 -1.51 0.00 0.00 179.97 180.13 2a6t h GLU 143 N 0.18 0.81 -0.43 0.20 4.39 -1.18 -0.38 114.58 118.17 2a6t h GLU 143 Ca 0.04 -0.24 -0.11 0.00 0.34 0.00 0.00 59.36 59.39 2a6t h GLU 143 Cb 0.65 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 2a6t h GLU 143 CO 0.04 0.84 -0.18 0.28 -1.16 0.00 0.00 179.01 178.83 2a6t h VAL 144 N 0.75 1.28 0.15 3.13 2.07 -1.37 -2.32 116.25 119.94 2a6t h VAL 144 Ca 0.14 -1.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.34 2a6t h VAL 144 Cb 0.50 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 2a6t h VAL 144 CO 0.03 0.45 -0.07 0.22 0.02 0.00 0.00 177.57 178.21 2a6t h TYR 145 N 0.71 -0.19 -0.66 1.57 3.20 -0.98 0.73 116.97 121.35 2a6t h TYR 145 Ca 0.10 -0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.12 2a6t h TYR 145 Cb 0.74 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 39.03 2a6t h TYR 145 CO 0.05 0.20 0.45 0.93 -1.64 0.00 0.00 178.16 178.15 2a6t h GLU 146 N -0.63 0.23 0.02 1.82 5.08 -1.16 0.30 114.58 120.24 2a6t h GLU 146 Ca -0.02 -0.01 -0.34 0.00 -1.00 0.00 0.00 59.36 57.99 2a6t h GLU 146 Cb 0.47 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 2a6t h GLU 146 CO 0.03 0.15 -2.05 0.39 -1.00 0.00 0.00 179.01 176.54 2a6t n GLU 147 N -4.43 0.67 -0.00 2.33 1.02 -0.87 -4.64 120.64 114.71 2a6t n GLU 147 Ca 0.12 0.18 0.02 0.00 -0.02 0.00 0.00 57.16 57.46 2a6t n GLU 147 Cb 0.56 -1.67 -0.02 0.00 -0.02 0.00 0.00 31.44 30.29 2a6t n GLU 147 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2a6t n THR 148 N -3.03 0.00 -1.00 2.62 -2.24 0.24 -4.96 114.28 105.90 2a6t n THR 148 Ca -0.27 -0.10 -0.00 0.00 -2.27 0.00 0.00 64.05 61.41 2a6t n THR 148 Cb 1.08 0.47 -0.00 0.00 -2.10 0.00 0.00 70.33 69.78 2a6t n THR 148 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2a6t n GLY 149 N 2.23 0.44 3.56 3.38 0.00 0.11 -3.33 105.19 111.57 2a6t n GLY 149 Ca -0.01 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 2a6t n GLY 149 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2a6t s PHE 150 N -1.88 3.13 -0.50 1.61 5.36 -1.26 -4.70 117.98 119.74 2a6t s PHE 150 Ca 0.00 -0.14 -0.20 0.00 -0.96 0.00 0.00 56.93 55.64 2a6t s PHE 150 Cb 0.00 -2.03 0.05 0.00 -0.34 0.00 0.00 43.02 40.70 2a6t s PHE 150 CO 0.00 0.03 0.64 0.34 -1.46 0.00 0.00 175.22 174.77 2a6t s ASP 151 N 0.44 6.24 0.00 6.13 3.68 -1.26 -3.60 116.67 128.31 2a6t s ASP 151 Ca -0.00 -0.78 0.20 0.00 2.13 0.00 0.00 52.55 54.10 2a6t s ASP 151 Cb -0.13 -2.30 0.53 0.00 -1.45 0.00 0.00 42.92 39.57 2a6t s ASP 151 CO 0.02 -0.89 1.44 0.00 0.13 0.00 0.00 175.17 175.87 2a6t n SER 153 N 1.07 -0.42 0.00 0.00 7.64 -1.26 -1.77 113.62 118.89 2a6t n SER 153 Ca 0.18 1.61 0.13 0.00 1.01 0.00 0.00 58.87 61.80 2a6t n SER 153 Cb 0.49 -0.45 0.65 0.00 -1.01 0.00 0.00 64.21 63.88 2a6t n SER 153 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2a6t n SER 154 N -5.47 0.00 0.00 6.43 3.41 -1.26 -3.76 113.62 112.96 2a6t n SER 154 Ca 0.13 -0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 2a6t n SER 154 Cb 0.44 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 2a6t n SER 154 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2a6t n ARG 155 N -1.28 3.02 -1.93 4.33 0.00 -0.80 -5.06 116.66 114.94 2a6t n ARG 155 Ca 0.12 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.56 2a6t n ARG 155 Cb 0.20 -0.63 -0.01 0.00 -0.00 0.00 0.00 32.46 32.02 2a6t n ARG 155 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 2a6t s ILE 156 N -1.03 2.34 -0.21 8.89 2.07 -0.73 -4.97 121.20 127.56 2a6t s ILE 156 Ca 0.00 0.33 0.02 0.00 -1.41 0.00 0.00 60.65 59.58 2a6t s ILE 156 Cb 0.00 -3.21 0.04 0.00 0.13 0.00 0.00 42.46 39.42 2a6t s ILE 156 CO 0.00 0.07 -0.14 0.21 -1.91 0.00 0.00 174.94 173.18 2a6t s ASN 157 N -0.10 3.64 0.57 4.50 3.84 -1.26 -5.01 114.94 121.11 2a6t s ASN 157 Ca 0.54 -0.97 0.35 0.00 0.21 0.00 0.00 52.86 52.99 2a6t s ASN 157 Cb -0.44 -1.41 1.91 0.00 -0.55 0.00 0.00 41.25 40.77 2a6t s ASN 157 CO 0.55 -0.11 2.07 1.55 -2.79 0.00 0.00 177.10 178.37 2a6t h PRO 158 N 7.90 0.00 -0.00 0.43 0.13 -1.98 -1.78 132.00 136.69 2a6t h PRO 158 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2a6t h PRO 158 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2a6t h PRO 158 CO 0.52 0.00 -0.41 0.09 -0.23 0.00 0.00 178.00 177.98 2a6t n ASN 159 N -2.80 0.83 -4.13 1.44 3.02 -1.26 -4.79 115.26 107.58 2a6t n ASN 159 Ca -0.02 -0.64 -0.35 0.00 -0.03 0.00 0.00 54.58 53.54 2a6t n ASN 159 Cb 0.13 0.24 -0.13 0.00 -0.61 0.00 0.00 39.78 39.41 2a6t n ASN 159 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2a6t s GLU 160 N -2.74 2.09 0.13 3.52 0.41 -0.67 -5.05 118.70 116.40 2a6t s GLU 160 Ca 0.18 -1.62 -0.25 0.00 -0.41 0.00 0.00 54.97 52.87 2a6t s GLU 160 Cb 0.18 -3.38 0.07 0.00 -1.78 0.00 0.00 34.13 29.22 2a6t s GLU 160 CO 0.62 -0.88 0.77 -0.59 -0.49 0.00 0.00 175.26 174.68 2a6t s PHE 161 N 1.15 -0.35 -0.27 1.61 -0.71 -1.26 -1.47 117.98 116.68 2a6t s PHE 161 Ca 0.04 0.10 -0.04 0.00 -1.04 0.00 0.00 56.93 55.98 2a6t s PHE 161 Cb -0.21 0.60 0.02 0.00 -1.21 0.00 0.00 43.02 42.21 2a6t s PHE 161 CO -0.04 -0.83 0.01 0.42 -1.34 0.00 0.00 175.22 173.44 2a6t s ILE 162 N -3.52 3.38 -0.26 -4.49 1.01 -0.48 -4.89 121.20 111.94 2a6t s ILE 162 Ca 0.06 -0.88 -0.09 0.00 0.00 0.00 0.00 60.65 59.74 2a6t s ILE 162 Cb -0.02 -2.74 -0.04 0.00 0.01 0.00 0.00 42.46 39.68 2a6t s ILE 162 CO -0.05 0.14 0.12 -0.62 0.00 0.00 0.00 174.94 174.52 2a6t s ASP 163 N 1.40 5.53 -0.01 3.58 -1.08 -1.26 -1.62 116.67 123.21 2a6t s ASP 163 Ca 0.01 -0.12 -0.06 0.00 -0.52 0.00 0.00 52.55 51.86 2a6t s ASP 163 Cb -0.17 -2.01 0.00 0.00 -1.46 0.00 0.00 42.92 39.28 2a6t s ASP 163 CO -0.01 -0.04 0.13 0.00 0.52 0.00 0.00 175.17 175.77 2a6t s MET 164 N 1.67 0.40 -0.22 4.34 0.23 -0.59 -5.02 119.30 120.11 2a6t s MET 164 Ca 0.07 -0.27 -0.13 0.00 -1.03 0.00 0.00 55.69 54.32 2a6t s MET 164 Cb -0.15 0.17 -0.04 0.00 -1.53 0.00 0.00 34.83 33.27 2a6t s MET 164 CO 0.07 -0.09 0.27 0.99 -2.03 0.00 0.00 175.02 174.23 2a6t s THR 165 N -1.04 5.29 -0.19 3.16 2.01 -1.26 -1.15 115.64 122.45 2a6t s THR 165 Ca -0.11 0.44 0.01 0.00 0.31 0.00 0.00 61.69 62.34 2a6t s THR 165 Cb -0.06 -3.61 0.03 0.00 0.01 0.00 0.00 72.50 68.87 2a6t s THR 165 CO 0.01 0.31 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.45 2a6t s ILE 166 N 1.10 1.99 -1.48 1.82 1.01 -0.10 -4.72 121.20 120.82 2a6t s ILE 166 Ca 0.13 -0.99 -0.11 0.00 0.00 0.00 0.00 60.65 59.68 2a6t s ILE 166 Cb -0.14 -1.86 0.06 0.00 0.01 0.00 0.00 42.46 40.54 2a6t s ILE 166 CO 0.06 0.43 0.95 -1.14 0.00 0.00 0.00 174.94 175.25 2a6t n ARG 167 N 4.62 -5.65 -0.92 2.79 3.00 -1.26 -0.93 116.66 118.31 2a6t n ARG 167 Ca -0.19 0.62 0.00 0.00 -0.00 0.00 0.00 57.85 58.28 2a6t n ARG 167 Cb 0.49 -5.47 0.00 0.00 0.00 0.00 0.00 32.46 27.48 2a6t n ARG 167 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2a6t n GLY 168 N -1.70 1.02 3.30 5.14 0.00 -1.26 -5.00 105.19 106.70 2a6t n GLY 168 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 2a6t n GLY 168 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2a6t s GLN 169 N -0.07 2.67 0.24 1.61 0.74 -0.11 -3.89 119.66 120.86 2a6t s GLN 169 Ca 0.00 -1.27 -0.31 0.00 0.05 0.00 0.00 55.36 53.83 2a6t s GLN 169 Cb 0.00 -3.67 -0.13 0.00 1.10 0.00 0.00 33.01 30.31 2a6t s GLN 169 CO 0.00 -0.79 1.53 -1.71 -0.55 0.00 0.00 175.29 173.77 2a6t n ASN 170 N 4.91 3.31 -3.95 6.67 2.85 -1.26 -0.93 115.26 126.86 2a6t n ASN 170 Ca -0.11 1.12 -0.23 0.00 -0.11 0.00 0.00 54.58 55.25 2a6t n ASN 170 Cb 0.44 -1.50 -0.17 0.00 1.24 0.00 0.00 39.78 39.80 2a6t n ASN 170 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 2a6t s VAL 171 N 0.27 0.88 -0.13 3.44 1.01 -0.30 -1.56 120.40 124.01 2a6t s VAL 171 Ca 0.69 -0.30 -0.01 0.00 0.00 0.00 0.00 61.98 62.37 2a6t s VAL 171 Cb -0.59 -0.86 0.03 0.00 0.00 0.00 0.00 36.38 34.97 2a6t s VAL 171 CO 0.45 0.31 -0.06 -0.60 0.00 0.00 0.00 175.10 175.20 2a6t s ARG 172 N 1.00 1.46 -0.28 2.72 3.52 -0.55 -1.55 118.95 125.27 2a6t s ARG 172 Ca -0.09 -0.32 -0.00 0.00 -0.13 0.00 0.00 55.73 55.18 2a6t s ARG 172 Cb -0.15 -1.70 0.05 0.00 -1.56 0.00 0.00 34.95 31.59 2a6t s ARG 172 CO 0.00 -0.32 -0.04 -0.51 -0.81 0.00 0.00 175.30 173.62 2a6t s LEU 173 N 1.70 3.67 0.12 -0.88 1.43 -0.64 -2.17 118.68 121.91 2a6t s LEU 173 Ca 0.04 -1.26 -0.31 0.00 -1.03 0.00 0.00 54.13 51.57 2a6t s LEU 173 Cb -0.13 -1.66 -0.08 0.00 0.03 0.00 0.00 46.19 44.35 2a6t s LEU 173 CO -0.08 -0.22 1.35 -0.31 0.23 0.00 0.00 176.35 177.32 2a6t s TYR 174 N 1.22 3.27 -0.20 0.29 1.51 -0.24 -1.39 117.35 121.81 2a6t s TYR 174 Ca -0.06 1.04 -0.18 0.00 -1.01 0.00 0.00 57.07 56.87 2a6t s TYR 174 Cb -0.19 -3.64 -0.03 0.00 -0.11 0.00 0.00 41.96 37.99 2a6t s TYR 174 CO -0.03 -2.16 0.49 -1.50 -1.11 0.00 0.00 175.55 171.25 2a6t s ILE 175 N 0.91 5.12 -0.37 2.71 1.10 -0.54 -0.96 121.20 129.18 2a6t s ILE 175 Ca 0.62 0.90 0.02 0.00 -0.51 0.00 0.00 60.65 61.67 2a6t s ILE 175 Cb -0.36 -3.82 0.11 0.00 0.15 0.00 0.00 42.46 38.55 2a6t s ILE 175 CO 0.32 0.19 0.13 -0.63 -2.11 0.00 0.00 174.94 172.84 2a6t s ILE 176 N 1.59 1.50 0.58 2.00 1.01 -0.59 -4.73 121.20 122.55 2a6t s ILE 176 Ca 0.23 -2.08 0.01 0.00 0.00 0.00 0.00 60.65 58.81 2a6t s ILE 176 Cb -0.15 -2.10 0.05 0.00 0.01 0.00 0.00 42.46 40.27 2a6t s ILE 176 CO 0.09 -0.72 0.81 -2.16 0.00 0.00 0.00 174.94 172.96 2a6t s PRO 177 N 0.97 2.40 -0.01 2.79 0.04 -1.26 -1.09 135.00 138.84 2a6t s PRO 177 Ca 0.13 -0.86 0.00 0.00 0.04 0.00 0.00 61.00 60.30 2a6t s PRO 177 Cb -0.20 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 31.87 2a6t s PRO 177 CO -0.12 -0.83 0.00 0.41 0.04 0.00 0.00 177.00 176.50 2a6t n GLY 178 N -2.41 0.42 3.72 0.56 0.00 -0.48 -4.84 105.19 102.15 2a6t n GLY 178 Ca 0.09 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 2a6t n GLY 178 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2a6t s ILE 179 N -2.00 4.62 0.23 -0.61 -1.09 -0.61 -4.87 121.20 116.86 2a6t s ILE 179 Ca 0.00 1.98 -0.30 0.00 -2.23 0.00 0.00 60.65 60.10 2a6t s ILE 179 Cb 0.00 -4.27 -0.09 0.00 -1.58 0.00 0.00 42.46 36.52 2a6t s ILE 179 CO 0.00 0.21 1.33 -0.55 -1.23 0.00 0.00 174.94 174.70 2a6t s SER 180 N 0.65 6.84 0.56 3.58 0.15 -1.26 -4.49 113.70 119.72 2a6t s SER 180 Ca 0.51 2.50 0.30 0.00 0.70 0.00 0.00 55.95 59.95 2a6t s SER 180 Cb -0.23 -2.62 1.65 0.00 -1.71 0.00 0.00 66.02 63.11 2a6t s SER 180 CO 0.29 -0.56 2.16 -0.07 1.20 0.00 0.00 173.24 176.26 2a6t h LEU 181 N 4.99 0.00 -0.29 3.45 4.07 -1.94 -2.28 115.31 123.30 2a6t h LEU 181 Ca -0.46 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.50 2a6t h LEU 181 Cb 1.22 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.96 2a6t h LEU 181 CO 0.75 0.07 0.00 0.47 -1.08 0.00 0.00 178.44 178.65 2a6t n ASP 182 N -3.65 0.42 -4.76 -0.43 8.00 -1.26 -4.95 116.55 109.92 2a6t n ASP 182 Ca -0.02 -2.00 -0.34 0.00 0.71 0.00 0.00 54.79 53.14 2a6t n ASP 182 Cb 0.17 -0.06 0.05 0.00 -0.02 0.00 0.00 41.12 41.26 2a6t n ASP 182 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2a6t s THR 183 N -1.88 2.93 0.00 -3.53 2.01 -0.86 -5.02 115.64 109.29 2a6t s THR 183 Ca 0.05 0.47 0.00 0.00 0.31 0.00 0.00 61.69 62.52 2a6t s THR 183 Cb 0.03 -3.03 0.00 0.00 0.01 0.00 0.00 72.50 69.50 2a6t s THR 183 CO 0.03 -0.23 0.00 0.54 -0.69 0.00 0.00 174.62 174.27 2a6t n ARG 184 N -2.25 0.00 -0.49 4.92 1.74 -1.26 -5.12 116.66 114.20 2a6t n ARG 184 Ca 0.12 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.21 2a6t n ARG 184 Cb 0.51 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.94 2a6t n ARG 184 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2a6t n PHE 185 N 0.00 -1.34 0.00 -1.55 0.99 -1.21 -5.10 117.46 109.25 2a6t n PHE 185 Ca 0.00 0.73 0.00 0.00 -0.00 0.00 0.00 57.45 58.18 2a6t n PHE 185 Cb 0.00 -1.41 0.00 0.00 -1.00 0.00 0.00 39.48 37.07 2a6t n PHE 185 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 2a6t n GLU 192 N -2.05 0.00 -5.19 -1.08 4.71 -1.26 -4.68 120.64 111.08 2a6t n GLU 192 Ca -0.01 0.00 -0.31 0.00 -0.01 0.00 0.00 57.16 56.83 2a6t n GLU 192 Cb 0.17 0.00 -0.17 0.00 -1.01 0.00 0.00 31.44 30.43 2a6t n GLU 192 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2a6t s ILE 193 N 0.00 1.99 -0.12 -3.67 -1.09 -1.26 -5.07 121.20 111.98 2a6t s ILE 193 Ca 0.00 -1.00 -0.10 0.00 -2.23 0.00 0.00 60.65 57.32 2a6t s ILE 193 Cb 0.00 -1.71 -0.08 0.00 -1.58 0.00 0.00 42.46 39.09 2a6t s ILE 193 CO 0.00 0.55 0.16 -1.28 -1.23 0.00 0.00 174.94 173.14 2a6t h SER 194 N 6.50 0.00 -3.80 3.58 0.87 -1.97 -3.49 113.55 115.23 2a6t h SER 194 Ca -0.24 -0.26 -0.40 0.00 -1.23 0.00 0.00 61.79 59.65 2a6t h SER 194 Cb 1.21 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 63.03 2a6t h SER 194 CO 0.47 0.72 -0.63 -0.54 -0.53 0.00 0.00 176.83 176.32 2a6t s LYS 195 N -1.87 1.45 -0.34 2.24 -0.14 -1.26 -4.96 119.74 114.86 2a6t s LYS 195 Ca -0.09 -1.77 0.04 0.00 -1.36 0.00 0.00 55.97 52.80 2a6t s LYS 195 Cb 0.00 -0.63 0.17 0.00 -1.68 0.00 0.00 37.83 35.70 2a6t s LYS 195 CO 0.23 -0.16 0.49 0.42 -0.76 0.00 0.00 175.35 175.57 2a6t s ILE 196 N -3.45 -0.72 0.24 2.17 1.01 -1.26 -2.32 121.20 116.87 2a6t s ILE 196 Ca 0.33 -0.32 0.06 0.00 0.00 0.00 0.00 60.65 60.72 2a6t s ILE 196 Cb 0.07 -0.69 -0.05 0.00 0.01 0.00 0.00 42.46 41.80 2a6t s ILE 196 CO 0.12 -0.23 -0.08 -1.61 0.00 0.00 0.00 174.94 173.13 2a6t s GLU 197 N 2.18 1.42 0.70 2.79 2.02 -0.95 -4.98 118.70 121.88 2a6t s GLU 197 Ca 0.13 -1.69 -0.07 0.00 0.02 0.00 0.00 54.97 53.36 2a6t s GLU 197 Cb -0.11 -1.05 0.05 0.00 0.10 0.00 0.00 34.13 33.13 2a6t s GLU 197 CO -0.18 0.07 1.01 -1.58 0.02 0.00 0.00 175.26 174.60 2a6t s TRP 198 N -3.07 2.97 -0.29 1.61 0.52 -1.26 -1.49 118.94 117.93 2a6t s TRP 198 Ca 0.26 0.50 -0.12 0.00 0.02 0.00 0.00 56.10 56.76 2a6t s TRP 198 Cb 0.02 -3.15 0.11 0.00 -1.15 0.00 0.00 33.47 29.30 2a6t s TRP 198 CO 0.09 -1.35 0.66 -1.01 0.02 0.00 0.00 176.95 175.35 2a6t s HIS 199 N -3.24 -1.25 0.08 -1.98 3.76 -0.35 -4.85 115.29 107.46 2a6t s HIS 199 Ca 0.59 2.26 -0.31 0.00 -0.15 0.00 0.00 55.06 57.46 2a6t s HIS 199 Cb -0.11 0.75 -0.07 0.00 1.11 0.00 0.00 32.58 34.26 2a6t s HIS 199 CO 0.45 -0.62 1.34 -0.80 -0.85 0.00 0.00 174.74 174.26 2a6t s ASN 200 N 2.52 6.89 0.44 1.40 0.01 -1.26 -1.81 114.94 123.14 2a6t s ASN 200 Ca -0.07 2.20 0.14 0.00 -0.71 0.00 0.00 52.86 54.42 2a6t s ASN 200 Cb -0.10 -2.58 1.05 0.00 0.41 0.00 0.00 41.25 40.03 2a6t s ASN 200 CO -0.19 -0.62 2.00 -0.07 -1.51 0.00 0.00 177.10 176.71 2a6t h LEU 201 N 7.10 0.34 -0.00 0.60 3.38 -1.58 -1.22 115.31 123.93 2a6t h LEU 201 Ca -0.41 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.53 2a6t h LEU 201 Cb 1.20 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 2a6t h LEU 201 CO 0.86 0.21 -0.16 0.24 0.09 0.00 0.00 178.44 179.68 2a6t h MET 202 N 0.38 0.00 0.00 1.13 2.86 -1.90 -2.61 114.93 114.78 2a6t h MET 202 Ca 0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 2a6t h MET 202 Cb 0.49 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.15 2a6t h MET 202 CO -0.06 0.16 0.00 -0.44 1.06 0.00 0.00 176.91 177.62 2a6t h ASP 203 N 0.00 0.00 -3.81 1.22 5.19 -1.61 -3.42 116.42 113.99 2a6t h ASP 203 Ca -0.00 0.00 -0.48 0.00 -0.62 0.00 0.00 57.03 55.93 2a6t h ASP 203 Cb 1.12 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.61 2a6t h ASP 203 CO 0.02 0.00 0.20 -0.76 -3.12 0.00 0.00 179.24 175.58 2a6t s LEU 204 N -5.30 4.10 0.01 1.55 1.43 -0.98 -5.02 118.68 114.46 2a6t s LEU 204 Ca 0.00 1.48 -0.01 0.00 -1.03 0.00 0.00 54.13 54.57 2a6t s LEU 204 Cb 0.09 -4.12 -0.00 0.00 0.03 0.00 0.00 46.19 42.19 2a6t s LEU 204 CO 0.40 -0.20 1.02 -0.65 0.23 0.00 0.00 176.35 177.16 2a6t h PRO 205 N 2.45 -0.01 -0.32 1.29 0.11 -1.86 -3.10 132.00 130.56 2a6t h PRO 205 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2a6t h PRO 205 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2a6t h PRO 205 CO 0.64 -0.01 0.00 -2.37 -0.21 0.00 0.00 178.00 176.05 2a6t n THR 206 N -2.94 0.41 -0.02 -1.15 5.66 -1.26 -4.58 114.28 110.39 2a6t n THR 206 Ca -0.00 -0.57 -0.12 0.00 -3.05 0.00 0.00 64.05 60.30 2a6t n THR 206 Cb 0.01 0.64 -0.08 0.00 -1.55 0.00 0.00 70.33 69.35 2a6t n THR 206 CO 0.00 0.00 0.00 0.15 -3.05 0.00 0.00 175.07 172.17 2a6t h PHE 207 N 3.33 0.14 0.00 1.09 3.57 -1.78 -3.46 116.94 119.83 2a6t h PHE 207 Ca 0.00 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.47 2a6t h PHE 207 Cb 0.74 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.44 2a6t h PHE 207 CO 0.21 0.43 0.00 1.17 -2.23 0.00 0.00 178.31 177.89 2a6t n LYS 208 N -4.83 0.00 -2.57 1.11 3.00 -1.26 -4.98 118.16 108.63 2a6t n LYS 208 Ca -0.07 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.11 2a6t n LYS 208 Cb 0.21 -0.31 -0.00 0.00 0.00 0.00 0.00 35.03 34.93 2a6t n LYS 208 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 2a6t n MET 215 N 0.00 -2.47 0.00 1.64 2.00 -1.26 -5.13 117.12 111.91 2a6t n MET 215 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 57.70 58.26 2a6t n MET 215 Cb 0.24 -5.17 0.00 0.00 0.00 0.00 0.00 33.22 28.29 2a6t n MET 215 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 175.97 176.33 2a6t n LYS 216 N -2.93 0.00 0.00 0.03 -0.00 -1.26 -4.98 118.16 109.03 2a6t n LYS 216 Ca -0.12 0.00 0.08 0.00 -0.00 0.00 0.00 58.31 58.26 2a6t n LYS 216 Cb 0.60 0.00 0.37 0.00 -0.00 0.00 0.00 35.03 36.00 2a6t n LYS 216 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2a6t n ASN 217 N 0.00 0.00 0.00 -5.58 3.02 -1.26 -2.15 115.26 109.29 2a6t n ASN 217 Ca 0.00 0.21 0.04 0.00 -0.03 0.00 0.00 54.58 54.80 2a6t n ASN 217 Cb 0.00 -0.36 0.18 0.00 -0.61 0.00 0.00 39.78 39.00 2a6t n ASN 217 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 2a6t n LYS 218 N -1.36 0.01 -0.34 3.52 2.85 -1.26 -1.49 118.16 120.09 2a6t n LYS 218 Ca 0.06 0.34 0.09 0.00 -1.05 0.00 0.00 58.31 57.75 2a6t n LYS 218 Cb 0.14 -1.50 0.22 0.00 -0.65 0.00 0.00 35.03 33.25 2a6t n LYS 218 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2a6t n PHE 219 N -1.48 0.69 0.25 5.58 3.01 -0.92 -0.13 117.46 124.46 2a6t n PHE 219 Ca 0.02 -0.89 0.13 0.00 1.01 0.00 0.00 57.45 57.72 2a6t n PHE 219 Cb 0.09 -0.26 0.64 0.00 -0.01 0.00 0.00 39.48 39.95 2a6t n PHE 219 CO 0.00 0.00 0.00 0.10 1.01 0.00 0.00 176.76 177.87 2a6t h TYR 220 N 1.35 0.00 0.00 1.38 -0.00 -1.42 -1.87 116.97 116.41 2a6t h TYR 220 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 58.73 58.50 2a6t h TYR 220 Cb 1.30 0.00 -0.04 0.00 -0.00 0.00 0.00 36.73 37.99 2a6t h TYR 220 CO 0.36 0.00 -1.48 0.52 -0.00 0.00 0.00 178.16 177.57 2a6t h MET 221 N 0.00 0.00 -0.19 0.10 2.86 -1.85 -3.37 114.93 112.49 2a6t h MET 221 Ca 0.00 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.49 2a6t h MET 221 Cb 0.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.78 2a6t h MET 221 CO 0.00 0.49 -0.47 0.28 1.06 0.00 0.00 176.91 178.27 2a6t h VAL 222 N 0.00 1.32 -0.92 -2.22 2.07 -1.53 -3.41 116.25 111.56 2a6t h VAL 222 Ca -0.20 -1.70 0.12 0.00 0.82 0.00 0.00 66.70 65.73 2a6t h VAL 222 Cb 1.82 1.91 -0.07 0.00 -1.52 0.00 0.00 31.29 33.43 2a6t h VAL 222 CO 0.07 0.53 0.59 0.40 0.02 0.00 0.00 177.57 179.19 2a6t h ILE 223 N 0.33 0.91 0.00 4.57 2.04 -1.68 -1.99 117.51 121.69 2a6t h ILE 223 Ca -0.01 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 2a6t h ILE 223 Cb 1.08 -0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.14 2a6t h ILE 223 CO 0.10 0.16 -0.02 -0.65 0.00 0.00 0.00 178.15 177.74 2a6t h PRO 224 N 0.86 0.00 0.00 2.37 0.11 -1.84 -2.59 132.00 130.92 2a6t h PRO 224 Ca 0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.56 2a6t h PRO 224 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.63 2a6t h PRO 224 CO -0.21 0.02 -0.48 1.19 -0.21 0.00 0.00 178.00 178.31 2a6t n PHE 225 N -3.14 0.38 -0.02 0.65 3.01 -0.75 -4.49 117.46 113.10 2a6t n PHE 225 Ca -0.01 0.11 -0.13 0.00 1.01 0.00 0.00 57.45 58.43 2a6t n PHE 225 Cb 0.22 -0.55 -0.09 0.00 -0.01 0.00 0.00 39.48 39.05 2a6t n PHE 225 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 2a6t h LEU 226 N 0.00 0.08 -0.20 4.37 3.38 -1.56 0.44 115.31 121.82 2a6t h LEU 226 Ca 0.00 -0.41 0.03 0.00 0.09 0.00 0.00 57.88 57.59 2a6t h LEU 226 Cb 0.65 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 2a6t h LEU 226 CO 0.00 0.47 0.02 0.00 0.09 0.00 0.00 178.44 179.02 2a6t h ALA 227 N 0.61 0.19 -0.10 1.53 0.00 -1.79 0.71 119.26 120.42 2a6t h ALA 227 Ca 0.01 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2a6t h ALA 227 Cb 0.44 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2a6t h ALA 227 CO 0.00 -0.41 0.07 -1.35 0.00 0.00 0.00 179.25 177.56 2a6t h PRO 228 N 0.10 0.13 -0.05 0.00 0.11 -1.80 -1.93 132.00 128.55 2a6t h PRO 228 Ca 0.09 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.18 2a6t h PRO 228 Cb 0.10 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.18 2a6t h PRO 228 CO -0.14 0.09 -0.01 1.25 -0.21 0.00 0.00 178.00 178.98 2a6t h LEU 229 N 0.13 0.10 -0.72 2.35 6.46 0.75 -1.78 115.31 122.60 2a6t h LEU 229 Ca 0.04 -0.37 -0.04 0.00 -0.12 0.00 0.00 57.88 57.38 2a6t h LEU 229 Cb -0.02 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 39.85 2a6t h LEU 229 CO -0.01 0.45 0.28 0.50 -0.62 0.00 0.00 178.44 179.05 2a6t h LYS 230 N -0.25 1.09 -0.56 1.25 3.64 -0.83 0.18 116.57 121.08 2a6t h LYS 230 Ca 0.01 -0.20 0.07 0.00 -1.27 0.00 0.00 60.65 59.26 2a6t h LYS 230 Cb 0.41 -0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 32.00 2a6t h LYS 230 CO 0.01 0.90 0.25 -0.22 -2.27 0.00 0.00 179.45 178.12 2a6t h LYS 231 N 1.04 0.46 -0.39 1.90 3.64 -1.34 -1.89 116.57 119.99 2a6t h LYS 231 Ca 0.24 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.47 2a6t h LYS 231 Cb 0.22 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 2a6t h LYS 231 CO -0.02 0.31 -0.22 2.35 -2.27 0.00 0.00 179.45 179.60 2a6t h TRP 232 N 0.48 0.98 -0.18 1.91 7.01 -0.38 -2.00 115.95 123.77 2a6t h TRP 232 Ca 0.26 -0.25 -0.06 0.00 2.11 0.00 0.00 58.89 60.96 2a6t h TRP 232 Cb 0.24 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 27.06 2a6t h TRP 232 CO -0.13 1.02 -0.15 0.82 -2.79 0.00 0.00 178.44 177.22 2a6t h ILE 233 N 0.65 1.20 0.07 2.65 2.04 -0.56 -1.91 117.51 121.65 2a6t h ILE 233 Ca 0.08 -0.89 -0.13 0.00 1.00 0.00 0.00 64.86 64.93 2a6t h ILE 233 Cb 0.78 1.23 0.01 0.00 -0.74 0.00 0.00 36.82 38.10 2a6t h ILE 233 CO 0.06 0.28 -0.60 0.11 0.00 0.00 0.00 178.15 178.00 2a6t h LYS 234 N 0.27 0.15 -0.98 2.37 1.57 -1.19 -1.40 116.57 117.36 2a6t h LYS 234 Ca 0.05 -0.25 0.23 0.00 -1.87 0.00 0.00 60.65 58.81 2a6t h LYS 234 Cb 0.43 0.09 -0.08 0.00 0.08 0.00 0.00 32.23 32.75 2a6t h LYS 234 CO 0.03 1.12 0.64 -0.22 -0.57 0.00 0.00 179.45 180.45 2a6t h LYS 235 N -0.67 0.42 -0.00 3.15 3.64 -1.36 -0.46 116.57 121.28 2a6t h LYS 235 Ca -0.12 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.13 2a6t h LYS 235 Cb 1.37 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 33.10 2a6t h LYS 235 CO 0.05 0.28 -0.39 -0.09 -2.27 0.00 0.00 179.45 177.02 2a6t h ARG 236 N 0.43 0.27 0.00 1.90 9.65 -1.31 -1.44 114.38 123.88 2a6t h ARG 236 Ca 0.54 -0.29 -0.00 0.00 -1.10 0.00 0.00 59.98 59.13 2a6t h ARG 236 Cb 1.32 0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 29.98 2a6t h ARG 236 CO -0.25 1.00 -0.01 -0.91 2.80 0.00 0.00 179.97 182.60 2a6t h ASN 237 N -0.34 0.00 0.26 -3.80 2.35 -0.78 -0.92 115.58 112.35 2a6t h ASN 237 Ca -0.05 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.39 2a6t h ASN 237 Cb 1.14 0.00 0.03 0.00 0.05 0.00 0.00 38.32 39.53 2a6t h ASN 237 CO 0.08 0.01 -1.31 0.40 -1.65 0.00 0.00 177.43 174.95 2a6t h ILE 238 N 0.00 1.32 -0.10 2.81 2.04 -1.05 -3.35 117.51 119.18 2a6t h ILE 238 Ca -0.00 -2.63 -0.18 0.00 1.00 0.00 0.00 64.86 63.05 2a6t h ILE 238 Cb 0.02 2.84 -0.00 0.00 -0.74 0.00 0.00 36.82 38.93 2a6t h ILE 238 CO 0.00 0.79 -0.69 0.00 0.00 0.00 0.00 178.15 178.25 2a6t h ALA 239 N 0.31 0.62 0.00 1.87 0.00 -0.27 -2.57 119.26 119.22 2a6t h ALA 239 Ca -0.20 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.13 2a6t h ALA 239 Cb 2.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.73 2a6t h ALA 239 CO 0.24 0.74 0.00 0.09 0.00 0.00 0.00 179.25 180.33 2a6t n ASN 240 N -3.87 0.47 -0.53 0.00 3.02 -0.45 -3.72 115.26 110.19 2a6t n ASN 240 Ca -0.04 0.65 0.06 0.00 -0.03 0.00 0.00 54.58 55.22 2a6t n ASN 240 Cb 0.68 -0.74 0.13 0.00 -0.61 0.00 0.00 39.78 39.25 2a6t n ASN 240 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2a6t n ASN 241 N -2.05 1.61 -4.38 6.41 4.13 -0.98 -5.08 115.26 114.92 2a6t n ASN 241 Ca 0.01 -3.11 -0.22 0.00 1.68 0.00 0.00 54.58 52.94 2a6t n ASN 241 Cb 0.14 -0.42 -0.11 0.00 -1.54 0.00 0.00 39.78 37.85 2a6t n ASN 241 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 2a6t s THR 242 N -2.23 2.04 -0.99 3.41 -4.23 -1.20 -5.04 115.64 107.40 2a6t s THR 242 Ca 0.30 -2.14 0.08 0.00 -1.18 0.00 0.00 61.69 58.75 2a6t s THR 242 Cb 0.29 -2.05 0.06 0.00 1.34 0.00 0.00 72.50 72.14 2a6t s THR 242 CO -0.04 -0.39 0.75 0.35 -0.54 0.00 0.00 174.62 174.75